NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
480667 | 2l2n | 17143 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PHE 16 H PHE 16 1.956 0.240 -1.356 2 HA PHE 16 HA PHE 16 -0.913 0.560 -0.210 3 HB2 PHE 16 1HB PHE 16 -1.179 -1.742 0.501 4 HB3 PHE 16 2HB PHE 16 -0.502 -1.764 -1.143 5 HD1 PHE 16 HD1 PHE 16 0.163 -2.381 2.409 6 HD2 PHE 16 HD2 PHE 16 1.698 -2.567 -1.574 7 HE1 PHE 16 HE1 PHE 16 2.004 -3.835 3.188 8 HE2 PHE 16 HE2 PHE 16 3.539 -4.024 -0.799 9 HZ PHE 16 HZ PHE 16 3.692 -4.657 1.584 10 H LYS 17 H LYS 17 2.320 0.626 0.829 11 HA LYS 17 HA LYS 17 1.968 0.040 3.621 12 HB2 LYS 17 1HB LYS 17 3.992 1.737 2.155 13 HB3 LYS 17 2HB LYS 17 4.081 1.329 3.885 14 HG2 LYS 17 1HG LYS 17 4.212 -1.067 3.308 15 HG3 LYS 17 2HG LYS 17 4.144 -0.648 1.579 16 HD2 LYS 17 1HD LYS 17 6.230 0.655 1.825 17 HD3 LYS 17 2HD LYS 17 6.303 0.195 3.542 18 HE2 LYS 17 1HE LYS 17 6.444 -2.173 2.907 19 HE3 LYS 17 2HE LYS 17 6.362 -1.719 1.189 20 HZ1 LYS 17 3HZ LYS 17 8.503 -0.948 3.066 21 HZ2 LYS 17 1HZ LYS 17 8.622 -2.108 1.899 22 HZ3 LYS 17 2HZ LYS 17 8.428 -0.526 1.472 23 H SER 18 H SER 18 1.407 1.181 5.337 24 HA SER 18 HA SER 18 1.070 3.465 6.410 25 HB2 SER 18 1HB SER 18 1.688 4.571 4.387 26 HB3 SER 18 2HB SER 18 0.065 4.238 3.740 27 HG SER 18 HG SER 18 0.657 5.666 6.120 28 H ARG 19 H ARG 19 -1.504 4.425 4.770 29 HA ARG 19 HA ARG 19 -3.359 3.391 6.719 30 HB2 ARG 19 1HB ARG 19 -3.770 4.934 4.203 31 HB3 ARG 19 2HB ARG 19 -5.083 4.418 5.288 32 HG2 ARG 19 1HG ARG 19 -4.109 5.711 7.117 33 HG3 ARG 19 2HG ARG 19 -2.747 6.189 6.074 34 HD2 ARG 19 1HD ARG 19 -4.287 7.379 4.629 35 HD3 ARG 19 2HD ARG 19 -5.634 6.918 5.696 36 HE ARG 19 HE ARG 19 -3.768 8.445 7.286 37 HH11 ARG 19 1HH1 ARG 19 -5.846 8.966 4.535 38 HH12 ARG 19 2HH1 ARG 19 -6.049 10.644 4.997 39 HH21 ARG 19 1HH2 ARG 19 -3.984 10.367 7.824 40 HH22 ARG 19 2HH2 ARG 19 -4.986 11.445 6.873 41 H LEU 20 H LEU 20 -2.823 2.637 3.281 42 HA LEU 20 HA LEU 20 -5.048 0.816 3.097 43 HB2 LEU 20 1HB LEU 20 -2.522 1.173 1.634 44 HB3 LEU 20 2HB LEU 20 -3.705 -0.001 1.013 45 HG LEU 20 HG LEU 20 -4.136 2.997 1.319 46 HD11 LEU 20 1HD1 LEU 20 -4.199 2.987 -1.189 47 HD12 LEU 20 2HD1 LEU 20 -2.631 2.407 -0.579 48 HD13 LEU 20 3HD1 LEU 20 -3.839 1.245 -1.176 49 HD21 LEU 20 3HD2 LEU 20 -6.179 1.751 1.706 50 HD22 LEU 20 1HD2 LEU 20 -6.272 2.599 0.144 51 HD23 LEU 20 2HD2 LEU 20 -5.951 0.848 0.190 52 H GLN 21 H GLN 21 -1.644 0.384 3.946 53 HA GLN 21 HA GLN 21 -1.707 -2.478 4.119 54 HB2 GLN 21 1HB GLN 21 0.338 -1.090 4.153 55 HB3 GLN 21 2HB GLN 21 -0.132 -0.480 5.757 56 HG2 GLN 21 1HG GLN 21 0.118 -3.068 6.583 57 HG3 GLN 21 2HG GLN 21 0.518 -3.143 4.851 58 HE21 GLN 21 2HE2 GLN 21 2.303 -4.131 6.647 59 HE22 GLN 21 1HE2 GLN 21 3.682 -3.089 6.769 60 H GLU 22 H GLU 22 -2.302 0.024 6.593 61 HA GLU 22 HA GLU 22 -2.936 -1.835 8.690 62 HB2 GLU 22 1HB GLU 22 -3.725 1.036 8.194 63 HB3 GLU 22 2HB GLU 22 -4.149 0.132 9.668 64 HG2 GLU 22 1HG GLU 22 -1.693 -0.118 10.201 65 HG3 GLU 22 2HG GLU 22 -1.396 0.670 8.634 66 H TYR 23 H TYR 23 -4.880 -0.364 6.138 67 HA TYR 23 HA TYR 23 -7.434 -1.272 7.085 68 HB2 TYR 23 1HB TYR 23 -6.384 -0.748 4.299 69 HB3 TYR 23 2HB TYR 23 -8.085 -1.108 4.685 70 HD1 TYR 23 HD1 TYR 23 -7.468 0.574 7.454 71 HD2 TYR 23 HD2 TYR 23 -7.411 1.377 3.267 72 HE1 TYR 23 HE1 TYR 23 -7.871 2.974 7.917 73 HE2 TYR 23 HE2 TYR 23 -7.814 3.775 3.710 74 HH TYR 23 HH TYR 23 -8.137 5.378 5.296 75 H ALA 24 H ALA 24 -5.137 -2.758 4.787 76 HA ALA 24 HA ALA 24 -6.636 -5.109 4.309 77 HB1 ALA 24 3HB ALA 24 -3.620 -4.759 4.405 78 HB2 ALA 24 1HB ALA 24 -4.485 -6.122 3.658 79 HB3 ALA 24 2HB ALA 24 -4.663 -4.482 2.990 80 H GLN 25 H GLN 25 -4.349 -4.339 6.910 81 HA GLN 25 HA GLN 25 -4.368 -6.943 8.123 82 HB2 GLN 25 1HB GLN 25 -3.916 -4.168 9.233 83 HB3 GLN 25 2HB GLN 25 -3.729 -5.657 10.189 84 HG2 GLN 25 1HG GLN 25 -1.756 -6.331 8.485 85 HG3 GLN 25 2HG GLN 25 -2.397 -4.839 7.757 86 HE21 GLN 25 2HE2 GLN 25 0.327 -5.305 8.468 87 HE22 GLN 25 1HE2 GLN 25 0.748 -4.178 9.713 88 H LYS 26 H LYS 26 -6.356 -4.046 8.711 89 HA LYS 26 HA LYS 26 -7.955 -5.281 10.776 90 HB2 LYS 26 1HB LYS 26 -8.453 -2.959 8.912 91 HB3 LYS 26 2HB LYS 26 -9.565 -3.451 10.211 92 HG2 LYS 26 1HG LYS 26 -7.819 -3.017 11.883 93 HG3 LYS 26 2HG LYS 26 -6.690 -2.546 10.590 94 HD2 LYS 26 1HD LYS 26 -8.170 -0.691 9.959 95 HD3 LYS 26 2HD LYS 26 -9.320 -1.168 11.231 96 HE2 LYS 26 1HE LYS 26 -7.607 -0.758 12.941 97 HE3 LYS 26 2HE LYS 26 -6.449 -0.291 11.674 98 HZ1 LYS 26 3HZ LYS 26 -8.977 1.102 12.283 99 HZ2 LYS 26 1HZ LYS 26 -7.469 1.627 12.697 100 HZ3 LYS 26 2HZ LYS 26 -7.904 1.535 11.108 101 H TYR 27 H TYR 27 -8.025 -5.398 7.297 102 HA TYR 27 HA TYR 27 -10.742 -6.578 7.272 103 HB2 TYR 27 1HB TYR 27 -8.712 -6.151 5.069 104 HB3 TYR 27 2HB TYR 27 -10.382 -6.732 4.858 105 HD1 TYR 27 HD1 TYR 27 -11.105 -4.630 7.280 106 HD2 TYR 27 HD2 TYR 27 -9.433 -4.371 3.366 107 HE1 TYR 27 HE1 TYR 27 -11.899 -2.290 7.104 108 HE2 TYR 27 HE2 TYR 27 -10.218 -2.035 3.173 109 HH TYR 27 HH TYR 27 -11.316 -0.318 4.189 110 H LYS 28 H LYS 28 -7.879 -7.719 8.233 111 HA LYS 28 HA LYS 28 -6.879 -9.821 8.297 112 HB2 LYS 28 1HB LYS 28 -9.719 -10.700 7.755 113 HB3 LYS 28 2HB LYS 28 -8.397 -11.727 8.360 114 HG2 LYS 28 1HG LYS 28 -8.267 -10.323 10.398 115 HG3 LYS 28 2HG LYS 28 -9.634 -9.354 9.798 116 HD2 LYS 28 1HD LYS 28 -11.034 -11.409 9.766 117 HD3 LYS 28 2HD LYS 28 -9.670 -12.319 10.459 118 HE2 LYS 28 1HE LYS 28 -9.698 -10.897 12.443 119 HE3 LYS 28 2HE LYS 28 -11.015 -9.924 11.748 120 HZ1 LYS 28 3HZ LYS 28 -11.183 -12.785 12.450 121 HZ2 LYS 28 1HZ LYS 28 -11.839 -11.545 13.317 122 HZ3 LYS 28 2HZ LYS 28 -12.404 -11.883 11.804 123 H LEU 29 H LEU 29 -6.831 -8.457 5.785 124 HA LEU 29 HA LEU 29 -7.037 -10.693 3.829 125 HB2 LEU 29 1HB LEU 29 -6.311 -7.844 3.612 126 HB3 LEU 29 2HB LEU 29 -6.454 -8.857 2.156 127 HG LEU 29 HG LEU 29 -8.691 -8.065 4.062 128 HD11 LEU 29 1HD1 LEU 29 -9.609 -6.883 2.048 129 HD12 LEU 29 2HD1 LEU 29 -7.998 -6.265 2.482 130 HD13 LEU 29 3HD1 LEU 29 -8.181 -7.393 1.117 131 HD21 LEU 29 3HD2 LEU 29 -9.001 -10.340 3.281 132 HD22 LEU 29 1HD2 LEU 29 -10.193 -9.265 2.510 133 HD23 LEU 29 2HD2 LEU 29 -8.772 -9.823 1.593 134 HA PRO 30 HA PRO 30 -2.887 -11.752 3.792 135 HB2 PRO 30 1HB PRO 30 -3.229 -11.724 1.083 136 HB3 PRO 30 2HB PRO 30 -2.698 -12.906 2.071 137 HG2 PRO 30 1HG PRO 30 -5.177 -12.341 1.498 138 HG3 PRO 30 2HG PRO 30 -4.534 -13.831 1.661 139 HD2 PRO 30 1HD PRO 30 -6.076 -10.869 1.857 140 HD3 PRO 30 2HD PRO 30 -5.908 -12.305 2.614 141 H THR 31 H THR 31 -0.910 -10.810 3.840 142 HA THR 31 HA THR 31 -0.725 -8.018 3.531 143 HB THR 31 HB THR 31 1.529 -10.042 3.200 144 HG1 THR 31 HG1 THR 31 0.375 -10.234 5.199 145 HG21 THR 31 1HG2 THR 31 2.962 -8.180 3.961 146 HG22 THR 31 2HG2 THR 31 2.115 -7.760 2.453 147 HG23 THR 31 3HG2 THR 31 1.544 -7.106 4.006 148 HA PRO 32 HA PRO 32 -1.072 -7.454 -0.721 149 HB2 PRO 32 1HB PRO 32 0.026 -5.071 0.044 150 HB3 PRO 32 2HB PRO 32 -1.315 -5.388 -0.825 151 HG2 PRO 32 1HG PRO 32 -1.116 -5.308 1.772 152 HG3 PRO 32 2HG PRO 32 -2.356 -4.743 0.876 153 HD2 PRO 32 1HD PRO 32 -0.134 -6.341 2.826 154 HD3 PRO 32 2HD PRO 32 -1.686 -6.366 2.324 155 H VAL 33 H VAL 33 0.148 -7.873 -2.474 156 HA VAL 33 HA VAL 33 3.108 -7.957 -1.979 157 HB VAL 33 HB VAL 33 1.419 -9.176 -4.204 158 HG11 VAL 33 1HG1 VAL 33 3.503 -10.372 -4.786 159 HG12 VAL 33 2HG1 VAL 33 3.719 -8.610 -4.913 160 HG13 VAL 33 3HG1 VAL 33 4.368 -9.487 -3.507 161 HG21 VAL 33 3HG2 VAL 33 0.984 -10.253 -2.078 162 HG22 VAL 33 1HG2 VAL 33 1.922 -11.321 -3.148 163 HG23 VAL 33 2HG2 VAL 33 2.730 -10.471 -1.810 164 H TYR 34 H TYR 34 4.351 -6.442 -2.612 165 HA TYR 34 HA TYR 34 3.415 -4.624 -4.784 166 HB2 TYR 34 1HB TYR 34 4.148 -3.602 -2.695 167 HB3 TYR 34 2HB TYR 34 5.719 -4.430 -2.835 168 HD1 TYR 34 HD1 TYR 34 3.524 -1.927 -4.530 169 HD2 TYR 34 HD2 TYR 34 7.484 -3.430 -4.037 170 HE1 TYR 34 HE1 TYR 34 4.402 -0.024 -5.850 171 HE2 TYR 34 HE2 TYR 34 8.377 -1.538 -5.352 172 HH TYR 34 HH TYR 34 6.243 0.978 -6.724 173 H GLU 35 H GLU 35 3.993 -4.962 -6.768 174 HA GLU 35 HA GLU 35 6.751 -6.047 -7.255 175 HB2 GLU 35 1HB GLU 35 4.250 -6.284 -8.937 176 HB3 GLU 35 2HB GLU 35 5.880 -6.799 -9.436 177 HG2 GLU 35 1HG GLU 35 5.857 -8.469 -7.481 178 HG3 GLU 35 2HG GLU 35 4.215 -7.851 -7.189 179 H ILE 36 H ILE 36 8.068 -5.073 -8.677 180 HA ILE 36 HA ILE 36 7.102 -2.449 -9.790 181 HB ILE 36 HB ILE 36 8.656 -2.057 -7.895 182 HG12 ILE 36 1HG1 ILE 36 10.465 -0.883 -9.191 183 HG13 ILE 36 2HG1 ILE 36 9.695 -1.531 -10.658 184 HG21 ILE 36 1HG2 ILE 36 10.990 -2.855 -8.043 185 HG22 ILE 36 2HG2 ILE 36 9.851 -4.219 -7.978 186 HG23 ILE 36 3HG2 ILE 36 10.590 -3.751 -9.527 187 HD11 ILE 36 3HD1 ILE 36 8.370 0.272 -8.602 188 HD12 ILE 36 1HD1 ILE 36 8.951 0.774 -10.206 189 HD13 ILE 36 2HD1 ILE 36 7.599 -0.376 -10.069 190 H VAL 37 H VAL 37 7.206 -2.158 -11.829 191 HA VAL 37 HA VAL 37 9.053 -3.931 -13.428 192 HB VAL 37 HB VAL 37 6.365 -2.745 -14.239 193 HG11 VAL 37 1HG1 VAL 37 6.690 -4.075 -16.298 194 HG12 VAL 37 2HG1 VAL 37 7.990 -2.877 -16.097 195 HG13 VAL 37 3HG1 VAL 37 8.290 -4.589 -15.714 196 HG21 VAL 37 3HG2 VAL 37 6.077 -4.581 -12.684 197 HG22 VAL 37 1HG2 VAL 37 5.584 -5.059 -14.325 198 HG23 VAL 37 2HG2 VAL 37 7.145 -5.609 -13.669 199 H LYS 38 H LYS 38 10.637 -3.027 -14.384 200 HA LYS 38 HA LYS 38 10.354 -0.137 -15.151 201 HB2 LYS 38 1HB LYS 38 11.947 -0.518 -13.312 202 HB3 LYS 38 2HB LYS 38 12.846 -1.649 -14.351 203 HG2 LYS 38 1HG LYS 38 13.346 0.179 -15.918 204 HG3 LYS 38 2HG LYS 38 12.438 1.312 -14.890 205 HD2 LYS 38 1HD LYS 38 14.006 0.868 -13.033 206 HD3 LYS 38 2HD LYS 38 14.924 -0.236 -14.085 207 HE2 LYS 38 1HE LYS 38 15.450 1.592 -15.603 208 HE3 LYS 38 2HE LYS 38 14.453 2.709 -14.642 209 HZ1 LYS 38 3HZ LYS 38 16.895 1.346 -13.700 210 HZ2 LYS 38 1HZ LYS 38 16.788 2.935 -14.130 211 HZ3 LYS 38 2HZ LYS 38 15.971 2.382 -12.808 212 H GLU 39 H GLU 39 10.406 0.307 -17.196 213 HA GLU 39 HA GLU 39 11.830 -1.562 -19.046 214 HB2 GLU 39 1HB GLU 39 9.017 -0.504 -19.368 215 HB3 GLU 39 2HB GLU 39 9.950 -1.356 -20.622 216 HG2 GLU 39 1HG GLU 39 9.991 -3.412 -19.096 217 HG3 GLU 39 2HG GLU 39 9.052 -2.405 -17.971 218 H GLY 40 H GLY 40 12.047 -0.658 -21.251 219 HA2 GLY 40 1HA GLY 40 12.165 1.197 -22.735 220 HA3 GLY 40 2HA GLY 40 11.926 2.302 -21.361 221 HA PRO 41 HA PRO 41 16.372 2.098 -22.718 222 HB2 PRO 41 1HB PRO 41 15.871 4.776 -22.769 223 HB3 PRO 41 2HB PRO 41 16.661 3.826 -23.831 224 HG2 PRO 41 1HG PRO 41 14.097 4.283 -23.747 225 HG3 PRO 41 2HG PRO 41 15.018 4.167 -25.087 226 HD2 PRO 41 1HD PRO 41 12.928 3.776 -22.591 227 HD3 PRO 41 2HD PRO 41 13.475 3.055 -23.949 228 H SER 42 H SER 42 18.280 2.861 -21.588 229 HA SER 42 HA SER 42 17.882 2.906 -18.693 230 HB2 SER 42 1HB SER 42 20.150 3.066 -18.503 231 HB3 SER 42 2HB SER 42 19.741 1.876 -19.760 232 HG SER 42 HG SER 42 21.459 3.261 -20.373 233 H HIS 43 H HIS 43 17.955 5.323 -21.208 234 HA HIS 43 HA HIS 43 18.425 7.476 -19.180 235 HB2 HIS 43 1HB HIS 43 18.653 7.532 -22.224 236 HB3 HIS 43 2HB HIS 43 18.899 8.929 -21.149 237 HD2 HIS 43 HD2 HIS 43 21.066 6.243 -22.837 238 HE1 HIS 43 HE1 HIS 43 23.177 7.648 -19.429 239 HE2 HIS 43 HE2 HIS 43 23.277 6.276 -21.669 240 H LYS 44 H LYS 44 16.024 5.959 -21.049 241 HA LYS 44 HA LYS 44 14.126 8.097 -20.173 242 HB2 LYS 44 1HB LYS 44 14.162 6.715 -22.861 243 HB3 LYS 44 2HB LYS 44 12.845 7.742 -22.248 244 HG2 LYS 44 1HG LYS 44 14.410 9.659 -22.151 245 HG3 LYS 44 2HG LYS 44 15.693 8.625 -22.824 246 HD2 LYS 44 1HD LYS 44 14.296 8.250 -24.841 247 HD3 LYS 44 2HD LYS 44 13.070 9.353 -24.172 248 HE2 LYS 44 1HE LYS 44 14.735 11.171 -24.145 249 HE3 LYS 44 2HE LYS 44 15.941 10.068 -24.846 250 HZ1 LYS 44 3HZ LYS 44 13.414 10.886 -26.130 251 HZ2 LYS 44 1HZ LYS 44 14.915 11.446 -26.523 252 HZ3 LYS 44 2HZ LYS 44 14.532 9.862 -26.781 253 H SER 45 H SER 45 14.320 6.242 -18.466 254 HA SER 45 HA SER 45 12.909 3.720 -19.150 255 HB2 SER 45 1HB SER 45 13.399 3.018 -17.034 256 HB3 SER 45 2HB SER 45 14.848 3.735 -17.776 257 HG SER 45 HG SER 45 14.412 5.624 -16.548 258 H LEU 46 H LEU 46 10.963 3.050 -18.261 259 HA LEU 46 HA LEU 46 9.363 5.132 -16.811 260 HB2 LEU 46 1HB LEU 46 8.585 3.040 -18.734 261 HB3 LEU 46 2HB LEU 46 7.328 3.961 -17.876 262 HG LEU 46 HG LEU 46 9.365 5.082 -19.840 263 HD11 LEU 46 1HD1 LEU 46 7.354 5.516 -21.276 264 HD12 LEU 46 2HD1 LEU 46 7.541 3.780 -20.933 265 HD13 LEU 46 3HD1 LEU 46 6.329 4.737 -20.048 266 HD21 LEU 46 3HD2 LEU 46 8.863 6.670 -18.079 267 HD22 LEU 46 1HD2 LEU 46 8.121 7.204 -19.606 268 HD23 LEU 46 2HD2 LEU 46 7.116 6.455 -18.342 269 H PHE 47 H PHE 47 8.294 4.589 -15.025 270 HA PHE 47 HA PHE 47 8.824 1.824 -13.993 271 HB2 PHE 47 1HB PHE 47 8.354 4.473 -12.564 272 HB3 PHE 47 2HB PHE 47 8.392 2.898 -11.740 273 HD1 PHE 47 HD1 PHE 47 10.393 5.277 -13.748 274 HD2 PHE 47 HD2 PHE 47 10.402 1.876 -11.162 275 HE1 PHE 47 HE1 PHE 47 12.849 5.454 -13.526 276 HE2 PHE 47 HE2 PHE 47 12.857 2.051 -10.935 277 HZ PHE 47 HZ PHE 47 14.081 3.841 -12.119 278 H GLN 48 H GLN 48 7.264 0.517 -13.320 279 HA GLN 48 HA GLN 48 4.511 1.640 -13.046 280 HB2 GLN 48 1HB GLN 48 4.735 0.578 -15.267 281 HB3 GLN 48 2HB GLN 48 5.242 -0.929 -14.468 282 HG2 GLN 48 1HG GLN 48 2.771 -0.987 -13.373 283 HG3 GLN 48 2HG GLN 48 2.771 0.555 -14.259 284 HE21 GLN 48 2HE2 GLN 48 0.839 -1.466 -14.617 285 HE22 GLN 48 1HE2 GLN 48 1.000 -2.100 -16.221 286 H SER 49 H SER 49 3.484 1.068 -11.294 287 HA SER 49 HA SER 49 4.764 -1.019 -9.511 288 HB2 SER 49 1HB SER 49 3.217 1.416 -8.874 289 HB3 SER 49 2HB SER 49 3.639 0.123 -7.728 290 HG SER 49 HG SER 49 5.599 1.370 -9.324 291 H THR 50 H THR 50 3.636 -2.800 -9.063 292 HA THR 50 HA THR 50 0.660 -2.744 -9.460 293 HB THR 50 HB THR 50 2.562 -5.091 -9.868 294 HG1 THR 50 HG1 THR 50 0.985 -3.583 -11.720 295 HG21 THR 50 1HG2 THR 50 0.537 -6.281 -10.634 296 HG22 THR 50 2HG2 THR 50 0.372 -5.762 -8.939 297 HG23 THR 50 3HG2 THR 50 -0.452 -4.857 -10.231 298 H VAL 51 H VAL 51 -0.424 -2.851 -7.677 299 HA VAL 51 HA VAL 51 0.724 -4.414 -5.370 300 HB VAL 51 HB VAL 51 -1.439 -2.267 -5.414 301 HG11 VAL 51 1HG1 VAL 51 -1.337 -2.464 -2.952 302 HG12 VAL 51 2HG1 VAL 51 -1.826 -4.004 -3.697 303 HG13 VAL 51 3HG1 VAL 51 -0.160 -3.789 -3.106 304 HG21 VAL 51 3HG2 VAL 51 0.762 -1.322 -5.778 305 HG22 VAL 51 1HG2 VAL 51 0.158 -0.914 -4.155 306 HG23 VAL 51 2HG2 VAL 51 1.389 -2.185 -4.352 307 H ILE 52 H ILE 52 0.054 -6.345 -5.112 308 HA ILE 52 HA ILE 52 -2.714 -7.036 -6.056 309 HB ILE 52 HB ILE 52 -0.298 -8.827 -5.526 310 HG12 ILE 52 1HG1 ILE 52 -1.630 -8.170 -8.138 311 HG13 ILE 52 2HG1 ILE 52 -0.161 -7.376 -7.525 312 HG21 ILE 52 1HG2 ILE 52 -1.712 -10.614 -6.482 313 HG22 ILE 52 2HG2 ILE 52 -2.451 -9.930 -5.017 314 HG23 ILE 52 3HG2 ILE 52 -3.066 -9.469 -6.621 315 HD11 ILE 52 3HD1 ILE 52 -0.462 -10.339 -8.129 316 HD12 ILE 52 1HD1 ILE 52 0.394 -9.152 -9.140 317 HD13 ILE 52 2HD1 ILE 52 1.008 -9.545 -7.516 318 H LEU 53 H LEU 53 -4.229 -7.237 -4.682 319 HA LEU 53 HA LEU 53 -3.542 -8.261 -1.956 320 HB2 LEU 53 1HB LEU 53 -3.692 -6.020 -1.742 321 HB3 LEU 53 2HB LEU 53 -5.202 -5.786 -2.654 322 HG LEU 53 HG LEU 53 -6.384 -7.132 -0.887 323 HD11 LEU 53 1HD1 LEU 53 -5.221 -7.390 1.320 324 HD12 LEU 53 2HD1 LEU 53 -4.377 -8.287 0.036 325 HD13 LEU 53 3HD1 LEU 53 -3.737 -6.724 0.598 326 HD21 LEU 53 3HD2 LEU 53 -6.512 -4.711 -0.914 327 HD22 LEU 53 1HD2 LEU 53 -6.463 -5.298 0.766 328 HD23 LEU 53 2HD2 LEU 53 -5.005 -4.592 0.026 329 H ASP 54 H ASP 54 -4.500 -10.091 -1.632 330 HA ASP 54 HA ASP 54 -6.124 -11.757 -1.664 331 HB2 ASP 54 1HB ASP 54 -7.341 -9.681 -0.448 332 HB3 ASP 54 2HB ASP 54 -8.104 -9.641 -2.057 333 H GLY 55 H GLY 55 -4.969 -11.141 -4.152 334 HA2 GLY 55 1HA GLY 55 -5.328 -12.215 -6.210 335 HA3 GLY 55 2HA GLY 55 -7.048 -12.409 -5.800 336 H VAL 56 H VAL 56 -6.765 -9.364 -5.023 337 HA VAL 56 HA VAL 56 -7.659 -8.405 -7.708 338 HB VAL 56 HB VAL 56 -7.706 -7.029 -4.989 339 HG11 VAL 56 1HG1 VAL 56 -9.266 -5.469 -6.105 340 HG12 VAL 56 2HG1 VAL 56 -7.679 -5.474 -6.910 341 HG13 VAL 56 3HG1 VAL 56 -9.048 -6.348 -7.637 342 HG21 VAL 56 3HG2 VAL 56 -9.128 -8.990 -4.974 343 HG22 VAL 56 1HG2 VAL 56 -10.103 -7.502 -4.986 344 HG23 VAL 56 2HG2 VAL 56 -9.916 -8.454 -6.478 345 H ARG 57 H ARG 57 -6.529 -7.295 -9.038 346 HA ARG 57 HA ARG 57 -3.803 -6.482 -8.123 347 HB2 ARG 57 1HB ARG 57 -3.820 -8.071 -9.875 348 HB3 ARG 57 2HB ARG 57 -4.856 -7.018 -10.865 349 HG2 ARG 57 1HG ARG 57 -3.099 -5.380 -11.071 350 HG3 ARG 57 2HG ARG 57 -2.074 -6.271 -9.920 351 HD2 ARG 57 1HD ARG 57 -2.947 -7.267 -12.613 352 HD3 ARG 57 2HD ARG 57 -1.377 -6.519 -12.239 353 HE ARG 57 HE ARG 57 -1.486 -8.810 -10.566 354 HH11 ARG 57 1HH1 ARG 57 -1.827 -8.300 -13.998 355 HH12 ARG 57 2HH1 ARG 57 -1.155 -9.889 -14.307 356 HH21 ARG 57 1HH2 ARG 57 -0.723 -10.635 -10.903 357 HH22 ARG 57 2HH2 ARG 57 -0.526 -11.222 -12.542 358 H TYR 58 H TYR 58 -3.182 -4.479 -7.964 359 HA TYR 58 HA TYR 58 -4.855 -2.378 -9.309 360 HB2 TYR 58 1HB TYR 58 -3.184 -2.126 -6.802 361 HB3 TYR 58 2HB TYR 58 -4.192 -0.864 -7.552 362 HD1 TYR 58 HD2 TYR 58 -6.731 -1.379 -7.740 363 HD2 TYR 58 HD1 TYR 58 -4.100 -3.487 -5.129 364 HE1 TYR 58 HE2 TYR 58 -8.671 -2.114 -6.396 365 HE2 TYR 58 HE1 TYR 58 -6.033 -4.232 -3.770 366 HH TYR 58 HH TYR 58 -9.379 -3.303 -4.587 367 H ASN 59 H ASN 59 -3.878 -1.877 -11.124 368 HA ASN 59 HA ASN 59 -0.909 -1.644 -11.159 369 HB2 ASN 59 1HB ASN 59 -2.792 -1.491 -13.629 370 HB3 ASN 59 2HB ASN 59 -1.050 -1.336 -13.296 371 HD21 ASN 59 2HD2 ASN 59 -3.624 -3.432 -13.957 372 HD22 ASN 59 1HD2 ASN 59 -2.783 -4.934 -13.758 373 H SER 60 H SER 60 0.196 0.163 -11.293 374 HA SER 60 HA SER 60 -1.066 2.753 -10.774 375 HB2 SER 60 1HB SER 60 1.008 3.644 -10.754 376 HB3 SER 60 2HB SER 60 1.080 2.068 -9.932 377 HG SER 60 HG SER 60 1.743 2.337 -12.658 378 H LEU 61 H LEU 61 -0.463 4.650 -12.164 379 HA LEU 61 HA LEU 61 -1.243 4.173 -14.956 380 HB2 LEU 61 1HB LEU 61 -0.364 6.534 -13.427 381 HB3 LEU 61 2HB LEU 61 -0.968 6.723 -15.090 382 HG LEU 61 HG LEU 61 -2.551 5.757 -12.677 383 HD11 LEU 61 1HD1 LEU 61 -3.870 7.860 -13.043 384 HD12 LEU 61 2HD1 LEU 61 -2.158 8.219 -12.716 385 HD13 LEU 61 3HD1 LEU 61 -2.781 8.291 -14.382 386 HD21 LEU 61 3HD2 LEU 61 -3.234 4.585 -14.686 387 HD22 LEU 61 1HD2 LEU 61 -4.497 5.739 -14.198 388 HD23 LEU 61 2HD2 LEU 61 -3.415 6.125 -15.559 389 HA PRO 62 HA PRO 62 2.729 4.112 -16.603 390 HB2 PRO 62 1HB PRO 62 2.150 4.546 -18.988 391 HB3 PRO 62 2HB PRO 62 1.664 3.195 -18.217 392 HG2 PRO 62 1HG PRO 62 0.191 5.249 -18.855 393 HG3 PRO 62 2HG PRO 62 -0.242 3.679 -18.943 394 HD2 PRO 62 1HD PRO 62 -1.032 4.791 -16.907 395 HD3 PRO 62 2HD PRO 62 -0.449 3.274 -16.760 396 H GLY 63 H GLY 63 4.423 5.345 -17.634 397 HA2 GLY 63 1HA GLY 63 5.195 7.307 -18.728 398 HA3 GLY 63 2HA GLY 63 3.671 8.128 -18.316 399 H PHE 64 H PHE 64 5.373 6.287 -15.890 400 HA PHE 64 HA PHE 64 6.151 8.832 -14.525 401 HB2 PHE 64 1HB PHE 64 5.707 5.993 -13.527 402 HB3 PHE 64 2HB PHE 64 6.475 7.256 -12.539 403 HD1 PHE 64 HD2 PHE 64 5.011 9.598 -12.799 404 HD2 PHE 64 HD1 PHE 64 3.569 5.579 -12.930 405 HE1 PHE 64 HE2 PHE 64 2.785 10.375 -12.056 406 HE2 PHE 64 HE1 PHE 64 1.341 6.353 -12.190 407 HZ PHE 64 HZ PHE 64 0.949 8.751 -11.753 408 H PHE 65 H PHE 65 8.164 9.346 -13.989 409 HA PHE 65 HA PHE 65 10.310 7.524 -15.030 410 HB2 PHE 65 1HB PHE 65 10.260 10.557 -14.720 411 HB3 PHE 65 2HB PHE 65 11.687 9.609 -15.196 412 HD1 PHE 65 HD2 PHE 65 11.776 8.495 -17.355 413 HD2 PHE 65 HD1 PHE 65 8.496 10.995 -16.241 414 HE1 PHE 65 HE2 PHE 65 11.092 8.650 -19.726 415 HE2 PHE 65 HE1 PHE 65 7.807 11.150 -18.611 416 HZ PHE 65 HZ PHE 65 9.106 9.977 -20.353 417 H ASN 66 H ASN 66 8.968 7.460 -12.377 418 HA ASN 66 HA ASN 66 11.438 7.331 -10.784 419 HB2 ASN 66 1HB ASN 66 10.377 9.864 -10.484 420 HB3 ASN 66 2HB ASN 66 9.196 8.735 -9.777 421 HD21 ASN 66 2HD2 ASN 66 9.706 10.207 -7.927 422 HD22 ASN 66 1HD2 ASN 66 10.989 9.722 -6.870 423 H ARG 67 H ARG 67 11.391 5.829 -9.269 424 HA ARG 67 HA ARG 67 9.288 3.879 -9.352 425 HB2 ARG 67 1HB ARG 67 11.573 3.336 -8.844 426 HB3 ARG 67 2HB ARG 67 11.433 4.212 -7.302 427 HG2 ARG 67 1HG ARG 67 9.678 2.643 -6.577 428 HG3 ARG 67 2HG ARG 67 9.842 1.759 -8.114 429 HD2 ARG 67 1HD ARG 67 10.964 0.582 -6.391 430 HD3 ARG 67 2HD ARG 67 12.160 1.251 -7.525 431 HE ARG 67 HE ARG 67 13.049 2.538 -5.628 432 HH11 ARG 67 1HH1 ARG 67 9.869 1.360 -4.815 433 HH12 ARG 67 2HH1 ARG 67 10.102 1.862 -3.152 434 HH21 ARG 67 1HH2 ARG 67 13.327 3.126 -3.730 435 HH22 ARG 67 2HH2 ARG 67 12.073 2.870 -2.532 436 H LYS 68 H LYS 68 10.002 6.499 -7.076 437 HA LYS 68 HA LYS 68 7.969 5.778 -5.164 438 HB2 LYS 68 1HB LYS 68 9.293 8.405 -5.844 439 HB3 LYS 68 2HB LYS 68 8.152 8.183 -4.496 440 HG2 LYS 68 1HG LYS 68 9.674 6.536 -3.478 441 HG3 LYS 68 2HG LYS 68 10.816 6.761 -4.825 442 HD2 LYS 68 1HD LYS 68 11.047 9.145 -4.218 443 HD3 LYS 68 2HD LYS 68 9.928 8.898 -2.856 444 HE2 LYS 68 1HE LYS 68 11.474 7.277 -1.863 445 HE3 LYS 68 2HE LYS 68 12.587 7.485 -3.235 446 HZ1 LYS 68 3HZ LYS 68 11.817 9.591 -1.317 447 HZ2 LYS 68 1HZ LYS 68 13.260 8.793 -1.337 448 HZ3 LYS 68 2HZ LYS 68 12.849 9.785 -2.590 449 H ALA 69 H ALA 69 7.945 7.906 -8.008 450 HA ALA 69 HA ALA 69 5.311 8.917 -7.622 451 HB1 ALA 69 3HB ALA 69 6.830 8.432 -10.207 452 HB2 ALA 69 1HB ALA 69 5.383 9.451 -10.027 453 HB3 ALA 69 2HB ALA 69 6.898 9.905 -9.211 454 H ALA 70 H ALA 70 6.467 6.066 -9.421 455 HA ALA 70 HA ALA 70 3.874 5.263 -10.335 456 HB1 ALA 70 3HB ALA 70 6.361 3.597 -9.824 457 HB2 ALA 70 1HB ALA 70 4.938 3.081 -10.757 458 HB3 ALA 70 2HB ALA 70 5.947 4.424 -11.344 459 H GLU 71 H GLU 71 5.731 4.487 -7.413 460 HA GLU 71 HA GLU 71 3.954 2.467 -6.420 461 HB2 GLU 71 1HB GLU 71 6.240 2.853 -5.603 462 HB3 GLU 71 2HB GLU 71 5.713 4.405 -4.908 463 HG2 GLU 71 1HG GLU 71 4.153 3.133 -3.355 464 HG3 GLU 71 2HG GLU 71 4.731 1.674 -4.192 465 H GLN 72 H GLN 72 4.064 5.982 -5.851 466 HA GLN 72 HA GLN 72 1.843 6.052 -4.045 467 HB2 GLN 72 1HB GLN 72 2.987 8.075 -5.975 468 HB3 GLN 72 2HB GLN 72 1.640 8.434 -4.869 469 HG2 GLN 72 1HG GLN 72 3.351 7.943 -2.852 470 HG3 GLN 72 2HG GLN 72 4.315 7.508 -4.282 471 HE21 GLN 72 2HE2 GLN 72 5.093 9.365 -2.266 472 HE22 GLN 72 1HE2 GLN 72 5.218 10.928 -3.003 473 H SER 73 H SER 73 1.998 6.352 -7.587 474 HA SER 73 HA SER 73 -0.759 6.826 -8.161 475 HB2 SER 73 1HB SER 73 0.923 7.035 -9.763 476 HB3 SER 73 2HB SER 73 1.233 5.284 -9.711 477 HG SER 73 HG SER 73 -1.217 6.530 -10.417 478 H ALA 74 H ALA 74 1.040 3.743 -7.768 479 HA ALA 74 HA ALA 74 -1.159 2.005 -8.197 480 HB1 ALA 74 3HB ALA 74 1.273 1.609 -6.420 481 HB2 ALA 74 1HB ALA 74 0.180 0.326 -6.988 482 HB3 ALA 74 2HB ALA 74 1.169 1.233 -8.157 483 H ALA 75 H ALA 75 0.066 3.450 -5.178 484 HA ALA 75 HA ALA 75 -1.836 2.199 -3.457 485 HB1 ALA 75 3HB ALA 75 -0.440 4.881 -3.170 486 HB2 ALA 75 1HB ALA 75 -1.275 3.999 -1.871 487 HB3 ALA 75 2HB ALA 75 0.185 3.309 -2.618 488 H GLU 76 H GLU 76 -1.948 5.241 -5.284 489 HA GLU 76 HA GLU 76 -4.443 6.179 -4.237 490 HB2 GLU 76 1HB GLU 76 -2.880 7.545 -5.541 491 HB3 GLU 76 2HB GLU 76 -3.231 6.557 -6.980 492 HG2 GLU 76 1HG GLU 76 -4.583 8.613 -7.185 493 HG3 GLU 76 2HG GLU 76 -5.580 7.201 -6.766 494 H VAL 77 H VAL 77 -3.707 4.053 -6.989 495 HA VAL 77 HA VAL 77 -6.433 3.733 -7.885 496 HB VAL 77 HB VAL 77 -4.019 1.883 -8.059 497 HG11 VAL 77 1HG1 VAL 77 -5.316 0.673 -9.781 498 HG12 VAL 77 2HG1 VAL 77 -6.129 0.603 -8.200 499 HG13 VAL 77 3HG1 VAL 77 -6.720 1.717 -9.457 500 HG21 VAL 77 3HG2 VAL 77 -3.731 3.974 -9.249 501 HG22 VAL 77 1HG2 VAL 77 -3.930 2.621 -10.387 502 HG23 VAL 77 2HG2 VAL 77 -5.285 3.735 -10.084 503 H ALA 78 H ALA 78 -4.506 1.853 -5.558 504 HA ALA 78 HA ALA 78 -6.566 -0.035 -4.989 505 HB1 ALA 78 3HB ALA 78 -4.328 0.980 -3.204 506 HB2 ALA 78 1HB ALA 78 -5.298 -0.484 -2.925 507 HB3 ALA 78 2HB ALA 78 -4.226 -0.385 -4.342 508 H LEU 79 H LEU 79 -5.838 3.149 -3.611 509 HA LEU 79 HA LEU 79 -7.777 2.927 -1.469 510 HB2 LEU 79 1HB LEU 79 -5.931 4.307 -1.370 511 HB3 LEU 79 2HB LEU 79 -6.395 5.360 -2.727 512 HG LEU 79 HG LEU 79 -8.441 6.015 -1.423 513 HD11 LEU 79 1HD1 LEU 79 -8.419 5.566 1.045 514 HD12 LEU 79 2HD1 LEU 79 -8.488 4.052 0.113 515 HD13 LEU 79 3HD1 LEU 79 -6.951 4.582 0.837 516 HD21 LEU 79 3HD2 LEU 79 -6.500 7.465 -1.513 517 HD22 LEU 79 1HD2 LEU 79 -7.253 7.558 0.097 518 HD23 LEU 79 2HD2 LEU 79 -5.762 6.612 -0.136 519 H ARG 80 H ARG 80 -7.859 4.342 -4.723 520 HA ARG 80 HA ARG 80 -10.506 5.445 -4.483 521 HB2 ARG 80 1HB ARG 80 -8.896 4.650 -6.860 522 HB3 ARG 80 2HB ARG 80 -10.523 5.363 -6.946 523 HG2 ARG 80 1HG ARG 80 -9.729 7.376 -5.819 524 HG3 ARG 80 2HG ARG 80 -8.107 6.660 -5.646 525 HD2 ARG 80 1HD ARG 80 -7.875 6.633 -8.059 526 HD3 ARG 80 2HD ARG 80 -9.485 7.374 -8.216 527 HE ARG 80 HE ARG 80 -7.859 9.205 -6.691 528 HH11 ARG 80 1HH1 ARG 80 -7.885 7.855 -9.906 529 HH12 ARG 80 2HH1 ARG 80 -7.138 9.312 -10.530 530 HH21 ARG 80 1HH2 ARG 80 -6.996 10.877 -7.390 531 HH22 ARG 80 2HH2 ARG 80 -6.630 11.036 -9.096 532 H GLU 81 H GLU 81 -9.325 2.296 -5.637 533 HA GLU 81 HA GLU 81 -11.956 1.313 -6.342 534 HB2 GLU 81 1HB GLU 81 -9.359 -0.074 -5.670 535 HB3 GLU 81 2HB GLU 81 -10.832 -0.915 -6.209 536 HG2 GLU 81 1HG GLU 81 -9.200 1.098 -7.871 537 HG3 GLU 81 2HG GLU 81 -9.325 -0.672 -8.002 538 H LEU 82 H LEU 82 -10.108 1.415 -3.360 539 HA LEU 82 HA LEU 82 -11.864 -0.331 -1.867 540 HB2 LEU 82 1HB LEU 82 -9.709 0.163 -1.213 541 HB3 LEU 82 2HB LEU 82 -9.968 1.906 -0.967 542 HG LEU 82 HG LEU 82 -11.648 1.329 0.812 543 HD11 LEU 82 1HD1 LEU 82 -11.556 -0.990 1.764 544 HD12 LEU 82 2HD1 LEU 82 -12.111 -1.007 0.074 545 HD13 LEU 82 3HD1 LEU 82 -10.436 -1.462 0.465 546 HD21 LEU 82 3HD2 LEU 82 -9.396 2.015 1.394 547 HD22 LEU 82 1HD2 LEU 82 -9.965 0.773 2.533 548 HD23 LEU 82 2HD2 LEU 82 -8.816 0.340 1.244 549 H ALA 83 H ALA 83 -11.790 3.185 -2.386 550 HA ALA 83 HA ALA 83 -14.058 3.748 -0.730 551 HB1 ALA 83 3HB ALA 83 -13.006 5.235 -3.160 552 HB2 ALA 83 1HB ALA 83 -14.166 5.872 -1.972 553 HB3 ALA 83 2HB ALA 83 -12.501 5.491 -1.473 554 H LYS 84 H LYS 84 -13.742 2.739 -4.097 555 HA LYS 84 HA LYS 84 -16.525 3.095 -4.786 556 HB2 LYS 84 1HB LYS 84 -14.351 1.300 -5.866 557 HB3 LYS 84 2HB LYS 84 -15.987 1.404 -6.559 558 HG2 LYS 84 1HG LYS 84 -15.646 3.779 -7.055 559 HG3 LYS 84 2HG LYS 84 -14.025 3.710 -6.323 560 HD2 LYS 84 1HD LYS 84 -13.362 2.020 -8.015 561 HD3 LYS 84 2HD LYS 84 -14.967 2.175 -8.769 562 HE2 LYS 84 1HE LYS 84 -14.545 4.541 -9.225 563 HE3 LYS 84 2HE LYS 84 -12.958 4.423 -8.431 564 HZ1 LYS 84 3HZ LYS 84 -13.770 2.964 -10.863 565 HZ2 LYS 84 1HZ LYS 84 -12.770 4.274 -10.820 566 HZ3 LYS 84 2HZ LYS 84 -12.298 2.854 -10.126 567 H SER 85 H SER 85 -14.688 0.393 -3.407 568 HA SER 85 HA SER 85 -16.971 -1.479 -3.441 569 HB2 SER 85 1HB SER 85 -15.612 -2.962 -2.371 570 HB3 SER 85 2HB SER 85 -14.713 -2.190 -3.696 571 HG SER 85 HG SER 85 -14.521 -1.537 -0.941 572 H SER 86 H SER 86 -15.724 1.027 -1.338 573 HA SER 86 HA SER 86 -16.676 0.176 1.237 574 HB2 SER 86 1HB SER 86 -15.138 1.901 0.995 575 HB3 SER 86 2HB SER 86 -16.335 2.901 0.141 576 HG SER 86 HG SER 86 -16.209 3.382 2.376 Start of MODEL 2 1 H PHE 16 H PHE 16 1.278 3.783 -0.755 2 HA PHE 16 HA PHE 16 -1.048 2.331 0.689 3 HB2 PHE 16 1HB PHE 16 -0.659 0.172 -0.550 4 HB3 PHE 16 2HB PHE 16 -1.001 1.550 -1.620 5 HD1 PHE 16 HD1 PHE 16 1.522 -0.838 -0.476 6 HD2 PHE 16 HD2 PHE 16 0.676 2.447 -3.074 7 HE1 PHE 16 HE1 PHE 16 3.583 -1.320 -1.754 8 HE2 PHE 16 HE2 PHE 16 2.735 1.966 -4.355 9 HZ PHE 16 HZ PHE 16 4.189 0.082 -3.694 10 H LYS 17 H LYS 17 2.409 2.341 0.716 11 HA LYS 17 HA LYS 17 2.823 0.053 2.412 12 HB2 LYS 17 1HB LYS 17 4.395 2.608 2.056 13 HB3 LYS 17 2HB LYS 17 4.945 1.205 3.004 14 HG2 LYS 17 1HG LYS 17 4.877 -0.187 0.966 15 HG3 LYS 17 2HG LYS 17 4.354 1.229 0.024 16 HD2 LYS 17 1HD LYS 17 6.450 2.393 0.641 17 HD3 LYS 17 2HD LYS 17 6.975 0.945 1.533 18 HE2 LYS 17 1HE LYS 17 6.895 -0.368 -0.543 19 HE3 LYS 17 2HE LYS 17 6.367 1.077 -1.437 20 HZ1 LYS 17 3HZ LYS 17 8.944 0.776 -0.034 21 HZ2 LYS 17 1HZ LYS 17 8.728 0.702 -1.668 22 HZ3 LYS 17 2HZ LYS 17 8.456 2.116 -0.863 23 H SER 18 H SER 18 2.713 -0.291 4.507 24 HA SER 18 HA SER 18 2.461 0.214 6.847 25 HB2 SER 18 1HB SER 18 3.936 2.069 6.349 26 HB3 SER 18 2HB SER 18 2.485 3.069 6.101 27 HG SER 18 HG SER 18 3.131 1.607 8.447 28 H ARG 19 H ARG 19 0.740 2.864 5.159 29 HA ARG 19 HA ARG 19 -1.481 2.772 6.970 30 HB2 ARG 19 1HB ARG 19 -0.834 4.750 5.770 31 HB3 ARG 19 2HB ARG 19 -1.357 3.992 4.249 32 HG2 ARG 19 1HG ARG 19 -3.657 3.887 5.068 33 HG3 ARG 19 2HG ARG 19 -3.149 4.587 6.624 34 HD2 ARG 19 1HD ARG 19 -2.488 6.624 5.457 35 HD3 ARG 19 2HD ARG 19 -3.086 5.920 3.936 36 HE ARG 19 HE ARG 19 -5.277 6.061 5.865 37 HH11 ARG 19 1HH1 ARG 19 -3.328 8.134 3.847 38 HH12 ARG 19 2HH1 ARG 19 -4.655 9.273 3.725 39 HH21 ARG 19 1HH2 ARG 19 -6.804 7.360 5.740 40 HH22 ARG 19 2HH2 ARG 19 -6.638 8.832 4.805 41 H LEU 20 H LEU 20 -1.578 2.031 3.470 42 HA LEU 20 HA LEU 20 -4.191 0.808 3.766 43 HB2 LEU 20 1HB LEU 20 -2.144 0.881 1.653 44 HB3 LEU 20 2HB LEU 20 -3.715 0.128 1.298 45 HG LEU 20 HG LEU 20 -3.136 3.047 1.913 46 HD11 LEU 20 1HD1 LEU 20 -4.196 3.405 -0.332 47 HD12 LEU 20 2HD1 LEU 20 -2.782 2.331 -0.447 48 HD13 LEU 20 3HD1 LEU 20 -4.425 1.646 -0.486 49 HD21 LEU 20 3HD2 LEU 20 -5.131 2.381 3.120 50 HD22 LEU 20 1HD2 LEU 20 -5.571 3.429 1.750 51 HD23 LEU 20 2HD2 LEU 20 -5.823 1.671 1.641 52 H GLN 21 H GLN 21 -0.899 -0.407 3.711 53 HA GLN 21 HA GLN 21 -1.535 -3.197 3.560 54 HB2 GLN 21 1HB GLN 21 0.677 -1.629 4.880 55 HB3 GLN 21 2HB GLN 21 0.580 -3.403 4.976 56 HG2 GLN 21 1HG GLN 21 0.829 -3.437 2.308 57 HG3 GLN 21 2HG GLN 21 0.656 -1.699 2.642 58 HE21 GLN 21 2HE2 GLN 21 2.785 -2.991 1.187 59 HE22 GLN 21 1HE2 GLN 21 4.253 -2.691 2.057 60 H GLU 22 H GLU 22 -1.323 -0.986 6.341 61 HA GLU 22 HA GLU 22 -2.005 -2.986 8.305 62 HB2 GLU 22 1HB GLU 22 -0.949 -0.839 8.839 63 HB3 GLU 22 2HB GLU 22 -2.428 0.008 8.324 64 HG2 GLU 22 1HG GLU 22 -3.689 -1.101 10.222 65 HG3 GLU 22 2HG GLU 22 -2.168 -1.957 10.562 66 H TYR 23 H TYR 23 -3.949 -0.779 6.331 67 HA TYR 23 HA TYR 23 -6.485 -1.431 7.500 68 HB2 TYR 23 1HB TYR 23 -5.738 -0.617 4.685 69 HB3 TYR 23 2HB TYR 23 -7.402 -0.719 5.310 70 HD1 TYR 23 HD1 TYR 23 -5.549 0.325 8.020 71 HD2 TYR 23 HD2 TYR 23 -6.942 1.802 4.271 72 HE1 TYR 23 HE1 TYR 23 -5.370 2.642 8.877 73 HE2 TYR 23 HE2 TYR 23 -6.770 4.121 5.108 74 HH TYR 23 HH TYR 23 -5.645 4.850 8.420 75 H ALA 24 H ALA 24 -4.688 -2.909 4.804 76 HA ALA 24 HA ALA 24 -6.601 -4.865 4.107 77 HB1 ALA 24 3HB ALA 24 -3.573 -5.091 4.114 78 HB2 ALA 24 1HB ALA 24 -4.693 -6.160 3.240 79 HB3 ALA 24 2HB ALA 24 -4.575 -4.441 2.794 80 H GLN 25 H GLN 25 -4.133 -4.907 6.663 81 HA GLN 25 HA GLN 25 -4.708 -7.579 7.571 82 HB2 GLN 25 1HB GLN 25 -3.590 -5.144 8.973 83 HB3 GLN 25 2HB GLN 25 -3.693 -6.761 9.709 84 HG2 GLN 25 1HG GLN 25 -2.000 -7.581 7.776 85 HG3 GLN 25 2HG GLN 25 -2.319 -5.892 7.319 86 HE21 GLN 25 2HE2 GLN 25 0.258 -7.027 7.741 87 HE22 GLN 25 1HE2 GLN 25 0.974 -6.231 9.104 88 H LYS 26 H LYS 26 -5.995 -4.398 8.501 89 HA LYS 26 HA LYS 26 -7.783 -5.408 10.522 90 HB2 LYS 26 1HB LYS 26 -7.884 -2.956 8.761 91 HB3 LYS 26 2HB LYS 26 -9.024 -3.289 10.086 92 HG2 LYS 26 1HG LYS 26 -7.200 -3.226 11.710 93 HG3 LYS 26 2HG LYS 26 -6.020 -2.974 10.401 94 HD2 LYS 26 1HD LYS 26 -7.073 -0.839 9.833 95 HD3 LYS 26 2HD LYS 26 -8.303 -1.095 11.094 96 HE2 LYS 26 1HE LYS 26 -6.549 -1.089 12.813 97 HE3 LYS 26 2HE LYS 26 -5.314 -0.843 11.556 98 HZ1 LYS 26 3HZ LYS 26 -7.502 1.029 12.200 99 HZ2 LYS 26 1HZ LYS 26 -5.920 1.221 12.625 100 HZ3 LYS 26 2HZ LYS 26 -6.358 1.258 11.034 101 H TYR 27 H TYR 27 -7.901 -5.398 7.049 102 HA TYR 27 HA TYR 27 -10.796 -6.064 7.046 103 HB2 TYR 27 1HB TYR 27 -8.795 -5.864 4.787 104 HB3 TYR 27 2HB TYR 27 -10.554 -6.090 4.627 105 HD1 TYR 27 HD1 TYR 27 -10.815 -4.066 7.176 106 HD2 TYR 27 HD2 TYR 27 -9.146 -3.857 3.257 107 HE1 TYR 27 HE1 TYR 27 -11.133 -1.609 7.180 108 HE2 TYR 27 HE2 TYR 27 -9.457 -1.405 3.244 109 HH TYR 27 HH TYR 27 -10.189 0.416 4.398 110 H LYS 28 H LYS 28 -8.253 -7.743 7.951 111 HA LYS 28 HA LYS 28 -7.672 -9.994 7.940 112 HB2 LYS 28 1HB LYS 28 -10.547 -10.320 7.071 113 HB3 LYS 28 2HB LYS 28 -9.489 -11.594 7.720 114 HG2 LYS 28 1HG LYS 28 -9.347 -10.351 9.861 115 HG3 LYS 28 2HG LYS 28 -10.469 -9.133 9.208 116 HD2 LYS 28 1HD LYS 28 -12.170 -10.916 8.893 117 HD3 LYS 28 2HD LYS 28 -11.052 -12.084 9.633 118 HE2 LYS 28 1HE LYS 28 -11.046 -10.780 11.708 119 HE3 LYS 28 2HE LYS 28 -12.140 -9.587 10.971 120 HZ1 LYS 28 3HZ LYS 28 -12.775 -12.426 11.455 121 HZ2 LYS 28 1HZ LYS 28 -13.331 -11.155 12.347 122 HZ3 LYS 28 2HZ LYS 28 -13.791 -11.321 10.771 123 H LEU 29 H LEU 29 -7.061 -8.524 5.607 124 HA LEU 29 HA LEU 29 -7.467 -10.538 3.444 125 HB2 LEU 29 1HB LEU 29 -6.218 -7.868 3.510 126 HB3 LEU 29 2HB LEU 29 -6.447 -8.739 1.977 127 HG LEU 29 HG LEU 29 -8.619 -7.631 3.798 128 HD11 LEU 29 1HD1 LEU 29 -9.140 -6.176 1.820 129 HD12 LEU 29 2HD1 LEU 29 -7.475 -5.919 2.391 130 HD13 LEU 29 3HD1 LEU 29 -7.777 -6.908 0.942 131 HD21 LEU 29 3HD2 LEU 29 -9.312 -9.748 2.841 132 HD22 LEU 29 1HD2 LEU 29 -10.211 -8.415 2.079 133 HD23 LEU 29 2HD2 LEU 29 -8.865 -9.193 1.211 134 HA PRO 30 HA PRO 30 -3.489 -12.118 3.626 135 HB2 PRO 30 1HB PRO 30 -2.937 -12.336 1.184 136 HB3 PRO 30 2HB PRO 30 -4.079 -13.239 1.917 137 HG2 PRO 30 1HG PRO 30 -4.469 -11.226 0.307 138 HG3 PRO 30 2HG PRO 30 -5.326 -12.613 0.353 139 HD2 PRO 30 1HD PRO 30 -6.298 -10.645 1.471 140 HD3 PRO 30 2HD PRO 30 -6.434 -12.119 2.157 141 H THR 31 H THR 31 -1.223 -11.757 3.384 142 HA THR 31 HA THR 31 -0.515 -9.021 3.616 143 HB THR 31 HB THR 31 1.261 -11.330 2.719 144 HG1 THR 31 HG1 THR 31 0.216 -11.679 4.756 145 HG21 THR 31 1HG2 THR 31 3.084 -9.948 3.652 146 HG22 THR 31 2HG2 THR 31 2.249 -9.097 2.330 147 HG23 THR 31 3HG2 THR 31 1.916 -8.657 4.021 148 HA PRO 32 HA PRO 32 -0.856 -7.620 -0.448 149 HB2 PRO 32 1HB PRO 32 0.599 -5.600 0.664 150 HB3 PRO 32 2HB PRO 32 -0.826 -5.569 -0.128 151 HG2 PRO 32 1HG PRO 32 -0.459 -6.002 2.416 152 HG3 PRO 32 2HG PRO 32 -1.656 -5.120 1.744 153 HD2 PRO 32 1HD PRO 32 0.275 -7.353 3.205 154 HD3 PRO 32 2HD PRO 32 -1.269 -7.060 2.768 155 H VAL 33 H VAL 33 0.305 -7.637 -2.330 156 HA VAL 33 HA VAL 33 3.260 -8.125 -1.961 157 HB VAL 33 HB VAL 33 1.399 -9.123 -4.159 158 HG11 VAL 33 1HG1 VAL 33 3.389 -10.377 -4.922 159 HG12 VAL 33 2HG1 VAL 33 3.686 -8.622 -4.953 160 HG13 VAL 33 3HG1 VAL 33 4.360 -9.616 -3.640 161 HG21 VAL 33 3HG2 VAL 33 1.019 -10.310 -2.081 162 HG22 VAL 33 1HG2 VAL 33 1.847 -11.351 -3.261 163 HG23 VAL 33 2HG2 VAL 33 2.763 -10.625 -1.920 164 H TYR 34 H TYR 34 4.566 -6.677 -2.620 165 HA TYR 34 HA TYR 34 3.583 -4.727 -4.678 166 HB2 TYR 34 1HB TYR 34 4.061 -3.709 -2.531 167 HB3 TYR 34 2HB TYR 34 5.677 -4.457 -2.514 168 HD1 TYR 34 HD1 TYR 34 4.351 -3.153 -5.657 169 HD2 TYR 34 HD2 TYR 34 6.714 -2.217 -2.234 170 HE1 TYR 34 HE1 TYR 34 5.273 -1.183 -6.842 171 HE2 TYR 34 HE2 TYR 34 7.644 -0.247 -3.401 172 HH TYR 34 HH TYR 34 7.509 1.087 -5.264 173 H GLU 35 H GLU 35 4.229 -5.256 -6.614 174 HA GLU 35 HA GLU 35 7.078 -6.130 -6.952 175 HB2 GLU 35 1HB GLU 35 4.693 -6.378 -8.792 176 HB3 GLU 35 2HB GLU 35 6.358 -6.871 -9.184 177 HG2 GLU 35 1HG GLU 35 6.216 -8.562 -7.251 178 HG3 GLU 35 2HG GLU 35 4.551 -7.965 -7.070 179 H ILE 36 H ILE 36 8.440 -5.136 -8.339 180 HA ILE 36 HA ILE 36 7.534 -2.430 -9.297 181 HB ILE 36 HB ILE 36 10.320 -3.410 -8.519 182 HG12 ILE 36 1HG1 ILE 36 8.581 -1.342 -7.201 183 HG13 ILE 36 2HG1 ILE 36 8.756 -3.027 -6.654 184 HG21 ILE 36 1HG2 ILE 36 11.000 -1.064 -8.905 185 HG22 ILE 36 2HG2 ILE 36 10.361 -1.799 -10.393 186 HG23 ILE 36 3HG2 ILE 36 9.351 -0.676 -9.452 187 HD11 ILE 36 3HD1 ILE 36 10.991 -0.976 -6.838 188 HD12 ILE 36 1HD1 ILE 36 10.191 -1.514 -5.343 189 HD13 ILE 36 2HD1 ILE 36 11.165 -2.661 -6.293 190 H VAL 37 H VAL 37 7.337 -2.087 -11.316 191 HA VAL 37 HA VAL 37 8.616 -4.043 -13.216 192 HB VAL 37 HB VAL 37 6.218 -2.201 -13.594 193 HG11 VAL 37 1HG1 VAL 37 5.939 -3.420 -15.727 194 HG12 VAL 37 2HG1 VAL 37 7.506 -2.579 -15.670 195 HG13 VAL 37 3HG1 VAL 37 7.427 -4.336 -15.398 196 HG21 VAL 37 3HG2 VAL 37 5.699 -4.022 -12.084 197 HG22 VAL 37 1HG2 VAL 37 4.894 -4.254 -13.653 198 HG23 VAL 37 2HG2 VAL 37 6.347 -5.200 -13.250 199 H LYS 38 H LYS 38 10.314 -3.468 -14.230 200 HA LYS 38 HA LYS 38 10.559 -0.585 -15.031 201 HB2 LYS 38 1HB LYS 38 12.209 -1.279 -13.341 202 HB3 LYS 38 2HB LYS 38 12.752 -2.576 -14.431 203 HG2 LYS 38 1HG LYS 38 13.454 -0.890 -16.086 204 HG3 LYS 38 2HG LYS 38 12.920 0.405 -14.988 205 HD2 LYS 38 1HD LYS 38 14.546 -0.363 -13.299 206 HD3 LYS 38 2HD LYS 38 15.088 -1.642 -14.412 207 HE2 LYS 38 1HE LYS 38 15.837 0.020 -16.019 208 HE3 LYS 38 2HE LYS 38 15.204 1.332 -14.996 209 HZ1 LYS 38 3HZ LYS 38 17.382 -0.518 -14.260 210 HZ2 LYS 38 1HZ LYS 38 17.574 1.054 -14.722 211 HZ3 LYS 38 2HZ LYS 38 16.795 0.698 -13.311 212 H GLU 39 H GLU 39 10.507 -0.166 -17.082 213 HA GLU 39 HA GLU 39 11.565 -2.112 -19.043 214 HB2 GLU 39 1HB GLU 39 9.539 -2.185 -20.335 215 HB3 GLU 39 2HB GLU 39 9.264 -2.847 -18.705 216 HG2 GLU 39 1HG GLU 39 8.178 -0.604 -18.071 217 HG3 GLU 39 2HG GLU 39 8.494 -0.161 -19.765 218 H GLY 40 H GLY 40 11.500 -1.271 -21.260 219 HA2 GLY 40 1HA GLY 40 11.283 0.640 -22.739 220 HA3 GLY 40 2HA GLY 40 11.464 1.713 -21.332 221 HA PRO 41 HA PRO 41 15.472 1.252 -23.540 222 HB2 PRO 41 1HB PRO 41 15.847 3.730 -23.780 223 HB3 PRO 41 2HB PRO 41 14.960 2.856 -24.832 224 HG2 PRO 41 1HG PRO 41 14.064 4.490 -23.011 225 HG3 PRO 41 2HG PRO 41 13.484 4.310 -24.524 226 HD2 PRO 41 1HD PRO 41 12.293 3.207 -22.661 227 HD3 PRO 41 2HD PRO 41 12.462 2.456 -24.101 228 H SER 42 H SER 42 17.605 1.637 -22.801 229 HA SER 42 HA SER 42 17.873 1.803 -19.916 230 HB2 SER 42 1HB SER 42 20.130 1.712 -20.229 231 HB3 SER 42 2HB SER 42 19.330 0.568 -21.331 232 HG SER 42 HG SER 42 21.009 1.751 -22.344 233 H HIS 43 H HIS 43 17.665 4.183 -22.461 234 HA HIS 43 HA HIS 43 19.038 6.282 -20.917 235 HB2 HIS 43 1HB HIS 43 17.468 6.368 -23.533 236 HB3 HIS 43 2HB HIS 43 18.334 7.749 -22.816 237 HD2 HIS 43 HD2 HIS 43 19.045 4.982 -25.391 238 HE1 HIS 43 HE1 HIS 43 22.776 6.311 -23.853 239 HE2 HIS 43 HE2 HIS 43 21.526 4.932 -25.710 240 H LYS 44 H LYS 44 15.698 5.539 -21.904 241 HA LYS 44 HA LYS 44 14.779 7.217 -19.606 242 HB2 LYS 44 1HB LYS 44 13.698 7.259 -22.428 243 HB3 LYS 44 2HB LYS 44 12.905 8.000 -21.017 244 HG2 LYS 44 1HG LYS 44 14.884 9.472 -20.717 245 HG3 LYS 44 2HG LYS 44 15.599 8.771 -22.188 246 HD2 LYS 44 1HD LYS 44 13.680 9.566 -23.506 247 HD3 LYS 44 2HD LYS 44 12.957 10.261 -22.036 248 HE2 LYS 44 1HE LYS 44 14.900 11.742 -21.777 249 HE3 LYS 44 2HE LYS 44 15.626 11.048 -23.245 250 HZ1 LYS 44 3HZ LYS 44 13.079 12.530 -23.128 251 HZ2 LYS 44 1HZ LYS 44 14.508 13.123 -23.702 252 HZ3 LYS 44 2HZ LYS 44 13.751 11.887 -24.490 253 H SER 45 H SER 45 14.745 5.032 -18.676 254 HA SER 45 HA SER 45 12.695 3.112 -19.590 255 HB2 SER 45 1HB SER 45 13.245 1.850 -17.773 256 HB3 SER 45 2HB SER 45 14.730 2.432 -18.559 257 HG SER 45 HG SER 45 14.853 4.023 -16.910 258 H LEU 46 H LEU 46 10.785 2.609 -18.503 259 HA LEU 46 HA LEU 46 9.688 4.802 -16.785 260 HB2 LEU 46 1HB LEU 46 8.424 2.629 -18.325 261 HB3 LEU 46 2HB LEU 46 7.437 3.814 -17.440 262 HG LEU 46 HG LEU 46 9.213 4.336 -19.854 263 HD11 LEU 46 1HD1 LEU 46 7.048 4.984 -20.945 264 HD12 LEU 46 2HD1 LEU 46 7.009 3.297 -20.382 265 HD13 LEU 46 3HD1 LEU 46 6.186 4.568 -19.445 266 HD21 LEU 46 3HD2 LEU 46 9.363 6.184 -18.292 267 HD22 LEU 46 1HD2 LEU 46 8.420 6.671 -19.721 268 HD23 LEU 46 2HD2 LEU 46 7.589 6.284 -18.194 269 H PHE 47 H PHE 47 8.785 4.438 -14.845 270 HA PHE 47 HA PHE 47 9.249 1.693 -13.716 271 HB2 PHE 47 1HB PHE 47 9.477 4.422 -12.373 272 HB3 PHE 47 2HB PHE 47 9.578 2.861 -11.526 273 HD1 PHE 47 HD1 PHE 47 11.261 5.190 -13.786 274 HD2 PHE 47 HD2 PHE 47 11.503 1.449 -11.737 275 HE1 PHE 47 HE1 PHE 47 13.694 5.115 -14.214 276 HE2 PHE 47 HE2 PHE 47 13.938 1.373 -12.160 277 HZ PHE 47 HZ PHE 47 15.032 3.207 -13.401 278 H GLN 48 H GLN 48 7.522 0.612 -13.259 279 HA GLN 48 HA GLN 48 5.073 2.141 -12.440 280 HB2 GLN 48 1HB GLN 48 5.286 -0.474 -13.949 281 HB3 GLN 48 2HB GLN 48 3.777 0.287 -13.394 282 HG2 GLN 48 1HG GLN 48 4.397 2.310 -15.105 283 HG3 GLN 48 2HG GLN 48 5.767 1.189 -15.282 284 HE21 GLN 48 2HE2 GLN 48 4.201 2.058 -17.442 285 HE22 GLN 48 1HE2 GLN 48 3.320 0.705 -18.069 286 H SER 49 H SER 49 3.734 1.283 -10.881 287 HA SER 49 HA SER 49 5.078 -0.712 -9.036 288 HB2 SER 49 1HB SER 49 3.264 1.548 -8.461 289 HB3 SER 49 2HB SER 49 3.731 0.268 -7.318 290 HG SER 49 HG SER 49 5.795 0.958 -7.380 291 H THR 50 H THR 50 4.078 -2.591 -8.686 292 HA THR 50 HA THR 50 1.165 -2.808 -9.385 293 HB THR 50 HB THR 50 3.321 -4.957 -9.557 294 HG1 THR 50 HG1 THR 50 1.781 -3.636 -11.576 295 HG21 THR 50 1HG2 THR 50 1.514 -6.357 -10.493 296 HG22 THR 50 2HG2 THR 50 1.133 -5.847 -8.830 297 HG23 THR 50 3HG2 THR 50 0.348 -5.043 -10.210 298 H VAL 51 H VAL 51 -0.117 -3.068 -7.759 299 HA VAL 51 HA VAL 51 0.942 -4.440 -5.289 300 HB VAL 51 HB VAL 51 -1.173 -2.254 -5.497 301 HG11 VAL 51 1HG1 VAL 51 -1.119 -2.328 -3.026 302 HG12 VAL 51 2HG1 VAL 51 -1.613 -3.897 -3.703 303 HG13 VAL 51 3HG1 VAL 51 0.044 -3.673 -3.091 304 HG21 VAL 51 3HG2 VAL 51 1.046 -1.354 -5.865 305 HG22 VAL 51 1HG2 VAL 51 0.418 -0.858 -4.276 306 HG23 VAL 51 2HG2 VAL 51 1.636 -2.151 -4.387 307 H ILE 52 H ILE 52 0.230 -6.361 -5.057 308 HA ILE 52 HA ILE 52 -2.550 -6.983 -6.018 309 HB ILE 52 HB ILE 52 -0.185 -8.839 -5.478 310 HG12 ILE 52 1HG1 ILE 52 -1.493 -8.153 -8.095 311 HG13 ILE 52 2HG1 ILE 52 -0.006 -7.394 -7.479 312 HG21 ILE 52 1HG2 ILE 52 -1.645 -10.588 -6.436 313 HG22 ILE 52 2HG2 ILE 52 -2.370 -9.881 -4.973 314 HG23 ILE 52 3HG2 ILE 52 -2.968 -9.406 -6.580 315 HD11 ILE 52 3HD1 ILE 52 -0.376 -10.350 -8.077 316 HD12 ILE 52 1HD1 ILE 52 0.512 -9.188 -9.087 317 HD13 ILE 52 2HD1 ILE 52 1.110 -9.591 -7.460 318 H LEU 53 H LEU 53 -4.078 -7.171 -4.655 319 HA LEU 53 HA LEU 53 -3.452 -8.250 -1.945 320 HB2 LEU 53 1HB LEU 53 -3.395 -5.978 -1.738 321 HB3 LEU 53 2HB LEU 53 -4.945 -5.641 -2.542 322 HG LEU 53 HG LEU 53 -6.080 -6.944 -0.707 323 HD11 LEU 53 1HD1 LEU 53 -4.785 -7.272 1.417 324 HD12 LEU 53 2HD1 LEU 53 -4.077 -8.205 0.077 325 HD13 LEU 53 3HD1 LEU 53 -3.321 -6.679 0.597 326 HD21 LEU 53 3HD2 LEU 53 -6.086 -4.520 -0.720 327 HD22 LEU 53 1HD2 LEU 53 -5.955 -5.118 0.952 328 HD23 LEU 53 2HD2 LEU 53 -4.515 -4.483 0.116 329 H ASP 54 H ASP 54 -4.572 -9.992 -1.656 330 HA ASP 54 HA ASP 54 -6.321 -11.523 -1.761 331 HB2 ASP 54 1HB ASP 54 -7.373 -9.477 -0.413 332 HB3 ASP 54 2HB ASP 54 -8.071 -9.181 -2.025 333 H GLY 55 H GLY 55 -5.123 -10.818 -4.239 334 HA2 GLY 55 1HA GLY 55 -5.519 -11.758 -6.344 335 HA3 GLY 55 2HA GLY 55 -7.222 -12.013 -5.897 336 H VAL 56 H VAL 56 -6.344 -8.877 -5.131 337 HA VAL 56 HA VAL 56 -7.446 -7.822 -7.732 338 HB VAL 56 HB VAL 56 -7.412 -6.537 -4.969 339 HG11 VAL 56 1HG1 VAL 56 -8.871 -4.846 -6.031 340 HG12 VAL 56 2HG1 VAL 56 -7.285 -4.920 -6.834 341 HG13 VAL 56 3HG1 VAL 56 -8.703 -5.682 -7.592 342 HG21 VAL 56 3HG2 VAL 56 -8.953 -8.406 -5.023 343 HG22 VAL 56 1HG2 VAL 56 -9.834 -6.861 -4.984 344 HG23 VAL 56 2HG2 VAL 56 -9.701 -7.769 -6.508 345 H ARG 57 H ARG 57 -6.068 -7.066 -9.069 346 HA ARG 57 HA ARG 57 -3.423 -6.171 -8.035 347 HB2 ARG 57 1HB ARG 57 -3.377 -7.836 -9.725 348 HB3 ARG 57 2HB ARG 57 -4.325 -6.795 -10.812 349 HG2 ARG 57 1HG ARG 57 -2.513 -5.197 -10.943 350 HG3 ARG 57 2HG ARG 57 -1.580 -6.100 -9.726 351 HD2 ARG 57 1HD ARG 57 -2.327 -7.075 -12.464 352 HD3 ARG 57 2HD ARG 57 -0.745 -6.430 -11.970 353 HE ARG 57 HE ARG 57 -1.155 -8.719 -10.323 354 HH11 ARG 57 1HH1 ARG 57 -1.084 -8.147 -13.762 355 HH12 ARG 57 2HH1 ARG 57 -0.466 -9.767 -14.024 356 HH21 ARG 57 1HH2 ARG 57 -0.457 -10.579 -10.607 357 HH22 ARG 57 2HH2 ARG 57 -0.110 -11.155 -12.227 358 H TYR 58 H TYR 58 -2.934 -4.158 -7.751 359 HA TYR 58 HA TYR 58 -4.522 -2.077 -9.203 360 HB2 TYR 58 1HB TYR 58 -2.628 -1.752 -6.870 361 HB3 TYR 58 2HB TYR 58 -3.729 -0.532 -7.554 362 HD1 TYR 58 HD2 TYR 58 -6.276 -1.154 -7.502 363 HD2 TYR 58 HD1 TYR 58 -3.336 -2.997 -5.023 364 HE1 TYR 58 HE2 TYR 58 -8.054 -1.866 -5.941 365 HE2 TYR 58 HE1 TYR 58 -5.105 -3.718 -3.447 366 HH TYR 58 HH TYR 58 -8.546 -2.959 -4.004 367 H ASN 59 H ASN 59 -3.690 -0.788 -10.667 368 HA ASN 59 HA ASN 59 -0.775 -1.178 -11.281 369 HB2 ASN 59 1HB ASN 59 -2.931 -0.690 -13.464 370 HB3 ASN 59 2HB ASN 59 -1.159 -0.829 -13.357 371 HD21 ASN 59 2HD2 ASN 59 -4.150 -2.475 -13.539 372 HD22 ASN 59 1HD2 ASN 59 -3.531 -4.093 -13.526 373 H SER 60 H SER 60 0.444 0.499 -11.029 374 HA SER 60 HA SER 60 -0.460 3.199 -10.524 375 HB2 SER 60 1HB SER 60 1.670 3.822 -10.467 376 HB3 SER 60 2HB SER 60 1.649 2.157 -9.842 377 HG SER 60 HG SER 60 2.590 3.119 -12.317 378 H LEU 61 H LEU 61 0.271 5.055 -11.882 379 HA LEU 61 HA LEU 61 -0.776 4.762 -14.607 380 HB2 LEU 61 1HB LEU 61 0.457 6.958 -13.078 381 HB3 LEU 61 2HB LEU 61 -0.232 7.280 -14.686 382 HG LEU 61 HG LEU 61 -1.745 6.377 -12.205 383 HD11 LEU 61 1HD1 LEU 61 -2.856 8.618 -12.400 384 HD12 LEU 61 2HD1 LEU 61 -1.098 8.784 -12.181 385 HD13 LEU 61 3HD1 LEU 61 -1.818 8.994 -13.795 386 HD21 LEU 61 3HD2 LEU 61 -2.679 5.371 -14.204 387 HD22 LEU 61 1HD2 LEU 61 -3.778 6.626 -13.587 388 HD23 LEU 61 2HD2 LEU 61 -2.753 6.958 -15.004 389 HA PRO 62 HA PRO 62 3.025 4.203 -16.526 390 HB2 PRO 62 1HB PRO 62 2.240 4.450 -18.879 391 HB3 PRO 62 2HB PRO 62 1.763 3.209 -17.937 392 HG2 PRO 62 1HG PRO 62 0.343 5.280 -18.633 393 HG3 PRO 62 2HG PRO 62 -0.177 3.738 -18.526 394 HD2 PRO 62 1HD PRO 62 -0.703 5.094 -16.552 395 HD3 PRO 62 2HD PRO 62 -0.194 3.563 -16.307 396 H GLY 63 H GLY 63 4.652 5.209 -17.893 397 HA2 GLY 63 1HA GLY 63 5.479 7.067 -19.113 398 HA3 GLY 63 2HA GLY 63 4.068 8.023 -18.600 399 H PHE 64 H PHE 64 5.072 6.464 -15.892 400 HA PHE 64 HA PHE 64 6.352 8.894 -14.831 401 HB2 PHE 64 1HB PHE 64 5.474 6.250 -13.620 402 HB3 PHE 64 2HB PHE 64 6.413 7.450 -12.702 403 HD1 PHE 64 HD1 PHE 64 4.703 9.555 -14.645 404 HD2 PHE 64 HD2 PHE 64 3.932 6.641 -11.617 405 HE1 PHE 64 HE1 PHE 64 2.614 10.733 -14.045 406 HE2 PHE 64 HE2 PHE 64 1.841 7.815 -11.017 407 HZ PHE 64 HZ PHE 64 1.184 9.863 -12.230 408 H PHE 65 H PHE 65 8.393 9.230 -14.298 409 HA PHE 65 HA PHE 65 10.341 7.077 -15.040 410 HB2 PHE 65 1HB PHE 65 10.687 10.099 -14.818 411 HB3 PHE 65 2HB PHE 65 11.988 8.946 -15.191 412 HD1 PHE 65 HD2 PHE 65 11.883 7.627 -17.294 413 HD2 PHE 65 HD1 PHE 65 9.232 10.873 -16.467 414 HE1 PHE 65 HE2 PHE 65 11.353 7.803 -19.702 415 HE2 PHE 65 HE1 PHE 65 8.695 11.051 -18.873 416 HZ PHE 65 HZ PHE 65 9.756 9.516 -20.491 417 H ASN 66 H ASN 66 8.761 7.857 -12.414 418 HA ASN 66 HA ASN 66 11.143 7.371 -10.664 419 HB2 ASN 66 1HB ASN 66 8.943 9.382 -9.789 420 HB3 ASN 66 2HB ASN 66 10.375 8.589 -9.089 421 HD21 ASN 66 2HD2 ASN 66 9.191 11.023 -11.255 422 HD22 ASN 66 1HD2 ASN 66 10.704 11.823 -11.527 423 H ARG 67 H ARG 67 10.942 5.874 -9.166 424 HA ARG 67 HA ARG 67 8.666 4.105 -9.172 425 HB2 ARG 67 1HB ARG 67 10.972 4.373 -7.305 426 HB3 ARG 67 2HB ARG 67 9.675 3.167 -7.129 427 HG2 ARG 67 1HG ARG 67 10.243 2.199 -9.293 428 HG3 ARG 67 2HG ARG 67 11.490 3.445 -9.544 429 HD2 ARG 67 1HD ARG 67 12.725 2.578 -7.650 430 HD3 ARG 67 2HD ARG 67 11.482 1.326 -7.417 431 HE ARG 67 HE ARG 67 12.568 0.946 -10.060 432 HH11 ARG 67 1HH1 ARG 67 13.723 0.819 -6.772 433 HH12 ARG 67 2HH1 ARG 67 14.897 -0.401 -7.226 434 HH21 ARG 67 1HH2 ARG 67 13.912 -0.444 -10.597 435 HH22 ARG 67 2HH2 ARG 67 15.007 -1.120 -9.408 436 H LYS 68 H LYS 68 9.636 6.773 -7.051 437 HA LYS 68 HA LYS 68 7.628 6.408 -5.059 438 HB2 LYS 68 1HB LYS 68 9.549 7.921 -4.855 439 HB3 LYS 68 2HB LYS 68 8.845 8.968 -6.108 440 HG2 LYS 68 1HG LYS 68 6.935 9.457 -4.667 441 HG3 LYS 68 2HG LYS 68 7.567 8.351 -3.424 442 HD2 LYS 68 1HD LYS 68 9.556 9.761 -3.161 443 HD3 LYS 68 2HD LYS 68 8.960 10.855 -4.432 444 HE2 LYS 68 1HE LYS 68 6.977 11.358 -3.061 445 HE3 LYS 68 2HE LYS 68 7.588 10.278 -1.788 446 HZ1 LYS 68 3HZ LYS 68 8.926 12.724 -2.749 447 HZ2 LYS 68 1HZ LYS 68 8.104 12.577 -1.327 448 HZ3 LYS 68 2HZ LYS 68 9.495 11.724 -1.568 449 H ALA 69 H ALA 69 7.554 8.344 -8.057 450 HA ALA 69 HA ALA 69 4.908 9.323 -7.710 451 HB1 ALA 69 3HB ALA 69 6.410 8.712 -10.280 452 HB2 ALA 69 1HB ALA 69 4.949 9.718 -10.142 453 HB3 ALA 69 2HB ALA 69 6.466 10.240 -9.370 454 H ALA 70 H ALA 70 6.102 6.350 -9.252 455 HA ALA 70 HA ALA 70 3.570 5.394 -10.138 456 HB1 ALA 70 3HB ALA 70 6.008 3.831 -9.220 457 HB2 ALA 70 1HB ALA 70 4.642 3.174 -10.150 458 HB3 ALA 70 2HB ALA 70 5.697 4.413 -10.872 459 H GLU 71 H GLU 71 5.254 5.034 -7.030 460 HA GLU 71 HA GLU 71 3.318 3.246 -5.864 461 HB2 GLU 71 1HB GLU 71 5.300 5.187 -4.675 462 HB3 GLU 71 2HB GLU 71 4.279 4.097 -3.706 463 HG2 GLU 71 1HG GLU 71 5.401 2.111 -4.777 464 HG3 GLU 71 2HG GLU 71 6.244 3.288 -5.809 465 H GLN 72 H GLN 72 3.530 6.760 -6.076 466 HA GLN 72 HA GLN 72 1.420 7.312 -4.197 467 HB2 GLN 72 1HB GLN 72 2.524 8.825 -6.567 468 HB3 GLN 72 2HB GLN 72 1.248 9.466 -5.504 469 HG2 GLN 72 1HG GLN 72 3.051 9.349 -3.509 470 HG3 GLN 72 2HG GLN 72 3.924 8.583 -4.856 471 HE21 GLN 72 2HE2 GLN 72 4.843 10.805 -3.314 472 HE22 GLN 72 1HE2 GLN 72 4.979 12.165 -4.377 473 H SER 73 H SER 73 1.413 6.871 -7.729 474 HA SER 73 HA SER 73 -1.465 7.331 -8.047 475 HB2 SER 73 1HB SER 73 -1.203 6.665 -10.219 476 HB3 SER 73 2HB SER 73 0.115 7.766 -9.760 477 HG SER 73 HG SER 73 1.518 6.095 -9.763 478 H ALA 74 H ALA 74 0.655 4.527 -7.499 479 HA ALA 74 HA ALA 74 -1.317 2.502 -7.936 480 HB1 ALA 74 3HB ALA 74 1.089 2.502 -6.082 481 HB2 ALA 74 1HB ALA 74 0.165 1.069 -6.586 482 HB3 ALA 74 2HB ALA 74 1.081 2.004 -7.790 483 H ALA 75 H ALA 75 -0.384 4.313 -5.016 484 HA ALA 75 HA ALA 75 -2.310 3.053 -3.299 485 HB1 ALA 75 3HB ALA 75 -1.071 5.821 -3.145 486 HB2 ALA 75 1HB ALA 75 -1.952 5.002 -1.836 487 HB3 ALA 75 2HB ALA 75 -0.411 4.335 -2.424 488 H GLU 76 H GLU 76 -2.452 5.899 -5.411 489 HA GLU 76 HA GLU 76 -5.045 6.816 -4.693 490 HB2 GLU 76 1HB GLU 76 -3.519 8.043 -6.144 491 HB3 GLU 76 2HB GLU 76 -3.681 6.782 -7.391 492 HG2 GLU 76 1HG GLU 76 -6.164 7.387 -7.578 493 HG3 GLU 76 2HG GLU 76 -5.800 8.606 -6.336 494 H VAL 77 H VAL 77 -4.111 4.434 -7.185 495 HA VAL 77 HA VAL 77 -6.807 3.822 -8.011 496 HB VAL 77 HB VAL 77 -4.255 2.161 -8.082 497 HG11 VAL 77 1HG1 VAL 77 -5.464 0.741 -9.705 498 HG12 VAL 77 2HG1 VAL 77 -6.263 0.720 -8.115 499 HG13 VAL 77 3HG1 VAL 77 -6.942 1.696 -9.440 500 HG21 VAL 77 3HG2 VAL 77 -4.131 4.181 -9.415 501 HG22 VAL 77 1HG2 VAL 77 -4.231 2.741 -10.456 502 HG23 VAL 77 2HG2 VAL 77 -5.666 3.768 -10.218 503 H ALA 78 H ALA 78 -4.737 2.381 -5.514 504 HA ALA 78 HA ALA 78 -6.567 0.356 -4.727 505 HB1 ALA 78 3HB ALA 78 -4.574 1.903 -3.038 506 HB2 ALA 78 1HB ALA 78 -5.358 0.374 -2.581 507 HB3 ALA 78 2HB ALA 78 -4.237 0.421 -3.962 508 H LEU 79 H LEU 79 -6.253 3.736 -3.660 509 HA LEU 79 HA LEU 79 -8.357 3.581 -1.694 510 HB2 LEU 79 1HB LEU 79 -7.121 5.721 -3.286 511 HB3 LEU 79 2HB LEU 79 -8.335 6.178 -2.070 512 HG LEU 79 HG LEU 79 -5.707 4.753 -1.505 513 HD11 LEU 79 1HD1 LEU 79 -5.041 6.915 -0.420 514 HD12 LEU 79 2HD1 LEU 79 -5.380 7.138 -2.151 515 HD13 LEU 79 3HD1 LEU 79 -6.585 7.632 -0.937 516 HD21 LEU 79 3HD2 LEU 79 -7.455 4.125 0.052 517 HD22 LEU 79 1HD2 LEU 79 -6.258 5.157 0.868 518 HD23 LEU 79 2HD2 LEU 79 -7.827 5.836 0.371 519 H ARG 80 H ARG 80 -8.322 4.418 -5.136 520 HA ARG 80 HA ARG 80 -11.059 5.281 -5.270 521 HB2 ARG 80 1HB ARG 80 -9.234 4.190 -7.359 522 HB3 ARG 80 2HB ARG 80 -10.892 4.757 -7.662 523 HG2 ARG 80 1HG ARG 80 -10.274 6.993 -6.837 524 HG3 ARG 80 2HG ARG 80 -8.612 6.422 -6.550 525 HD2 ARG 80 1HD ARG 80 -8.394 5.981 -8.945 526 HD3 ARG 80 2HD ARG 80 -10.019 6.664 -9.189 527 HE ARG 80 HE ARG 80 -7.580 8.297 -8.769 528 HH11 ARG 80 1HH1 ARG 80 -11.062 8.264 -8.613 529 HH12 ARG 80 2HH1 ARG 80 -11.089 10.015 -8.696 530 HH21 ARG 80 1HH2 ARG 80 -7.593 10.301 -8.875 531 HH22 ARG 80 2HH2 ARG 80 -9.111 11.178 -8.847 532 H GLU 81 H GLU 81 -9.547 2.093 -5.663 533 HA GLU 81 HA GLU 81 -12.070 0.785 -6.317 534 HB2 GLU 81 1HB GLU 81 -9.380 -0.246 -5.412 535 HB3 GLU 81 2HB GLU 81 -10.761 -1.287 -5.832 536 HG2 GLU 81 1HG GLU 81 -9.264 0.584 -7.764 537 HG3 GLU 81 2HG GLU 81 -9.241 -1.189 -7.627 538 H LEU 82 H LEU 82 -10.274 1.445 -3.365 539 HA LEU 82 HA LEU 82 -11.847 -0.198 -1.618 540 HB2 LEU 82 1HB LEU 82 -9.814 0.711 -1.037 541 HB3 LEU 82 2HB LEU 82 -10.325 2.414 -1.104 542 HG LEU 82 HG LEU 82 -11.969 1.913 0.733 543 HD11 LEU 82 1HD1 LEU 82 -11.577 -0.167 2.080 544 HD12 LEU 82 2HD1 LEU 82 -12.065 -0.557 0.415 545 HD13 LEU 82 3HD1 LEU 82 -10.356 -0.686 0.895 546 HD21 LEU 82 3HD2 LEU 82 -9.860 3.015 1.205 547 HD22 LEU 82 1HD2 LEU 82 -10.285 1.918 2.541 548 HD23 LEU 82 2HD2 LEU 82 -9.040 1.443 1.359 549 H ALA 83 H ALA 83 -12.246 3.187 -2.654 550 HA ALA 83 HA ALA 83 -14.614 3.693 -1.166 551 HB1 ALA 83 3HB ALA 83 -13.764 4.806 -3.862 552 HB2 ALA 83 1HB ALA 83 -15.021 5.489 -2.805 553 HB3 ALA 83 2HB ALA 83 -13.324 5.466 -2.269 554 H LYS 84 H LYS 84 -14.101 2.063 -4.246 555 HA LYS 84 HA LYS 84 -16.916 1.925 -4.950 556 HB2 LYS 84 1HB LYS 84 -14.496 0.330 -5.796 557 HB3 LYS 84 2HB LYS 84 -16.128 0.093 -6.465 558 HG2 LYS 84 1HG LYS 84 -16.137 2.366 -7.341 559 HG3 LYS 84 2HG LYS 84 -14.553 2.687 -6.594 560 HD2 LYS 84 1HD LYS 84 -13.554 0.905 -7.994 561 HD3 LYS 84 2HD LYS 84 -15.136 0.647 -8.768 562 HE2 LYS 84 1HE LYS 84 -15.124 2.949 -9.598 563 HE3 LYS 84 2HE LYS 84 -13.565 3.242 -8.795 564 HZ1 LYS 84 3HZ LYS 84 -14.039 1.294 -10.960 565 HZ2 LYS 84 1HZ LYS 84 -13.286 2.752 -11.129 566 HZ3 LYS 84 2HZ LYS 84 -12.592 1.566 -10.215 567 H SER 85 H SER 85 -14.768 -0.023 -2.977 568 HA SER 85 HA SER 85 -16.747 -2.244 -2.699 569 HB2 SER 85 1HB SER 85 -15.177 -3.347 -1.485 570 HB3 SER 85 2HB SER 85 -14.411 -2.686 -2.948 571 HG SER 85 HG SER 85 -13.135 -2.398 -1.069 572 H SER 86 H SER 86 -16.011 0.800 -1.252 573 HA SER 86 HA SER 86 -16.779 0.217 1.521 574 HB2 SER 86 1HB SER 86 -15.321 1.956 1.065 575 HB3 SER 86 2HB SER 86 -16.529 2.765 0.041 576 HG SER 86 HG SER 86 -17.866 2.892 1.901 Start of MODEL 3 1 H PHE 16 H PHE 16 0.824 2.414 -0.498 2 HA PHE 16 HA PHE 16 -1.682 1.074 0.757 3 HB2 PHE 16 1HB PHE 16 -1.169 -1.172 0.107 4 HB3 PHE 16 2HB PHE 16 -0.739 -0.165 -1.294 5 HD1 PHE 16 HD2 PHE 16 1.569 0.202 -1.904 6 HD2 PHE 16 HD1 PHE 16 0.494 -2.315 1.377 7 HE1 PHE 16 HE2 PHE 16 3.839 -0.778 -1.916 8 HE2 PHE 16 HE1 PHE 16 2.763 -3.296 1.369 9 HZ PHE 16 HZ PHE 16 4.435 -2.526 -0.277 10 H LYS 17 H LYS 17 1.725 1.428 1.395 11 HA LYS 17 HA LYS 17 1.932 -0.278 3.676 12 HB2 LYS 17 1HB LYS 17 3.341 2.309 2.999 13 HB3 LYS 17 2HB LYS 17 3.798 1.218 4.330 14 HG2 LYS 17 1HG LYS 17 4.255 -0.575 2.702 15 HG3 LYS 17 2HG LYS 17 3.807 0.521 1.373 16 HD2 LYS 17 1HD LYS 17 5.635 2.053 2.048 17 HD3 LYS 17 2HD LYS 17 6.100 0.906 3.327 18 HE2 LYS 17 1HE LYS 17 6.551 -0.812 1.641 19 HE3 LYS 17 2HE LYS 17 6.054 0.309 0.352 20 HZ1 LYS 17 3HZ LYS 17 8.344 0.693 2.173 21 HZ2 LYS 17 1HZ LYS 17 8.443 0.230 0.593 22 HZ3 LYS 17 2HZ LYS 17 7.885 1.735 0.978 23 H SER 18 H SER 18 1.450 -0.128 5.747 24 HA SER 18 HA SER 18 0.537 0.823 7.761 25 HB2 SER 18 1HB SER 18 1.871 2.756 7.134 26 HB3 SER 18 2HB SER 18 0.414 3.410 6.351 27 HG SER 18 HG SER 18 -0.644 3.187 8.375 28 H ARG 19 H ARG 19 -0.970 2.720 5.126 29 HA ARG 19 HA ARG 19 -3.573 2.651 6.275 30 HB2 ARG 19 1HB ARG 19 -2.901 4.319 4.712 31 HB3 ARG 19 2HB ARG 19 -2.808 3.095 3.425 32 HG2 ARG 19 1HG ARG 19 -4.872 4.287 3.157 33 HG3 ARG 19 2HG ARG 19 -5.250 2.655 3.762 34 HD2 ARG 19 1HD ARG 19 -6.640 4.218 4.850 35 HD3 ARG 19 2HD ARG 19 -5.449 3.604 6.020 36 HE ARG 19 HE ARG 19 -4.548 6.192 5.017 37 HH11 ARG 19 1HH1 ARG 19 -7.003 4.828 7.084 38 HH12 ARG 19 2HH1 ARG 19 -7.037 6.304 8.028 39 HH21 ARG 19 1HH2 ARG 19 -4.582 7.891 6.082 40 HH22 ARG 19 2HH2 ARG 19 -5.657 8.053 7.457 41 H LEU 20 H LEU 20 -2.630 0.975 3.257 42 HA LEU 20 HA LEU 20 -5.066 -0.630 3.413 43 HB2 LEU 20 1HB LEU 20 -2.675 -0.572 1.702 44 HB3 LEU 20 2HB LEU 20 -3.965 -1.735 1.317 45 HG LEU 20 HG LEU 20 -4.133 1.301 1.261 46 HD11 LEU 20 1HD1 LEU 20 -4.651 0.930 -1.165 47 HD12 LEU 20 2HD1 LEU 20 -3.062 0.257 -0.733 48 HD13 LEU 20 3HD1 LEU 20 -4.465 -0.822 -0.921 49 HD21 LEU 20 3HD2 LEU 20 -6.182 0.389 2.181 50 HD22 LEU 20 1HD2 LEU 20 -6.475 1.002 0.536 51 HD23 LEU 20 2HD2 LEU 20 -6.322 -0.748 0.820 52 H GLN 21 H GLN 21 -1.665 -1.114 4.157 53 HA GLN 21 HA GLN 21 -1.719 -3.919 4.616 54 HB2 GLN 21 1HB GLN 21 -0.245 -1.625 5.895 55 HB3 GLN 21 2HB GLN 21 -0.048 -3.297 6.472 56 HG2 GLN 21 1HG GLN 21 0.825 -3.867 3.968 57 HG3 GLN 21 2HG GLN 21 0.392 -2.145 3.858 58 HE21 GLN 21 2HE2 GLN 21 2.961 -3.476 3.336 59 HE22 GLN 21 1HE2 GLN 21 4.109 -2.741 4.406 60 H GLU 22 H GLU 22 -2.570 -1.245 6.814 61 HA GLU 22 HA GLU 22 -3.266 -2.949 9.026 62 HB2 GLU 22 1HB GLU 22 -2.791 -0.557 9.234 63 HB3 GLU 22 2HB GLU 22 -4.257 -0.189 8.293 64 HG2 GLU 22 1HG GLU 22 -5.659 -1.202 10.150 65 HG3 GLU 22 2HG GLU 22 -4.109 -1.581 10.934 66 H TYR 23 H TYR 23 -5.204 -1.559 6.387 67 HA TYR 23 HA TYR 23 -7.728 -2.572 7.278 68 HB2 TYR 23 1HB TYR 23 -6.657 -1.990 4.512 69 HB3 TYR 23 2HB TYR 23 -8.351 -2.408 4.869 70 HD1 TYR 23 HD1 TYR 23 -7.727 -0.714 7.667 71 HD2 TYR 23 HD2 TYR 23 -7.842 0.091 3.481 72 HE1 TYR 23 HE1 TYR 23 -8.216 1.667 8.146 73 HE2 TYR 23 HE2 TYR 23 -8.331 2.470 3.940 74 HH TYR 23 HH TYR 23 -8.669 4.058 5.537 75 H ALA 24 H ALA 24 -5.255 -4.003 5.152 76 HA ALA 24 HA ALA 24 -6.617 -6.399 4.547 77 HB1 ALA 24 3HB ALA 24 -3.649 -5.978 5.030 78 HB2 ALA 24 1HB ALA 24 -4.381 -7.373 4.205 79 HB3 ALA 24 2HB ALA 24 -4.503 -5.750 3.486 80 H GLN 25 H GLN 25 -4.490 -5.673 7.322 81 HA GLN 25 HA GLN 25 -4.722 -8.233 8.566 82 HB2 GLN 25 1HB GLN 25 -4.273 -5.463 9.689 83 HB3 GLN 25 2HB GLN 25 -4.201 -6.949 10.665 84 HG2 GLN 25 1HG GLN 25 -2.130 -7.691 9.103 85 HG3 GLN 25 2HG GLN 25 -2.663 -6.174 8.343 86 HE21 GLN 25 2HE2 GLN 25 -0.020 -6.739 9.257 87 HE22 GLN 25 1HE2 GLN 25 0.342 -5.635 10.543 88 H LYS 26 H LYS 26 -6.736 -5.326 8.812 89 HA LYS 26 HA LYS 26 -8.491 -6.351 10.849 90 HB2 LYS 26 1HB LYS 26 -8.859 -4.313 8.654 91 HB3 LYS 26 2HB LYS 26 -10.106 -4.689 9.867 92 HG2 LYS 26 1HG LYS 26 -8.605 -3.966 11.662 93 HG3 LYS 26 2HG LYS 26 -7.322 -3.635 10.473 94 HD2 LYS 26 1HD LYS 26 -8.689 -1.909 9.427 95 HD3 LYS 26 2HD LYS 26 -10.040 -2.280 10.526 96 HE2 LYS 26 1HE LYS 26 -8.675 -1.609 12.448 97 HE3 LYS 26 2HE LYS 26 -7.307 -1.263 11.367 98 HZ1 LYS 26 3HZ LYS 26 -9.914 0.118 11.328 99 HZ2 LYS 26 1HZ LYS 26 -8.512 0.733 11.942 100 HZ3 LYS 26 2HZ LYS 26 -8.645 0.438 10.323 101 H TYR 27 H TYR 27 -8.265 -6.920 7.417 102 HA TYR 27 HA TYR 27 -10.934 -8.228 7.376 103 HB2 TYR 27 1HB TYR 27 -8.876 -7.927 5.183 104 HB3 TYR 27 2HB TYR 27 -10.561 -8.474 5.011 105 HD1 TYR 27 HD1 TYR 27 -11.368 -6.232 7.201 106 HD2 TYR 27 HD2 TYR 27 -9.399 -6.202 3.419 107 HE1 TYR 27 HE1 TYR 27 -12.095 -3.890 6.850 108 HE2 TYR 27 HE2 TYR 27 -10.116 -3.866 3.052 109 HH TYR 27 HH TYR 27 -11.250 -2.079 3.895 110 H LYS 28 H LYS 28 -8.132 -9.128 8.606 111 HA LYS 28 HA LYS 28 -7.018 -11.145 8.907 112 HB2 LYS 28 1HB LYS 28 -9.579 -12.315 7.809 113 HB3 LYS 28 2HB LYS 28 -8.305 -13.190 8.691 114 HG2 LYS 28 1HG LYS 28 -8.764 -11.781 10.687 115 HG3 LYS 28 2HG LYS 28 -10.096 -11.002 9.799 116 HD2 LYS 28 1HD LYS 28 -11.163 -13.238 9.523 117 HD3 LYS 28 2HD LYS 28 -9.871 -13.943 10.523 118 HE2 LYS 28 1HE LYS 28 -10.523 -12.490 12.393 119 HE3 LYS 28 2HE LYS 28 -11.812 -11.781 11.395 120 HZ1 LYS 28 3HZ LYS 28 -11.631 -14.612 12.202 121 HZ2 LYS 28 1HZ LYS 28 -12.655 -13.494 12.850 122 HZ3 LYS 28 2HZ LYS 28 -12.827 -13.955 11.276 123 H LEU 29 H LEU 29 -6.898 -9.693 6.325 124 HA LEU 29 HA LEU 29 -6.115 -11.997 4.576 125 HB2 LEU 29 1HB LEU 29 -6.548 -9.134 4.024 126 HB3 LEU 29 2HB LEU 29 -6.165 -10.277 2.716 127 HG LEU 29 HG LEU 29 -8.695 -10.215 4.406 128 HD11 LEU 29 1HD1 LEU 29 -9.811 -9.700 2.219 129 HD12 LEU 29 2HD1 LEU 29 -8.602 -8.463 2.634 130 HD13 LEU 29 3HD1 LEU 29 -8.220 -9.709 1.422 131 HD21 LEU 29 3HD2 LEU 29 -8.047 -12.500 3.918 132 HD22 LEU 29 1HD2 LEU 29 -9.484 -12.059 2.964 133 HD23 LEU 29 2HD2 LEU 29 -7.882 -12.114 2.188 134 HA PRO 30 HA PRO 30 -1.936 -10.942 4.805 135 HB2 PRO 30 1HB PRO 30 -1.232 -11.404 2.434 136 HB3 PRO 30 2HB PRO 30 -1.659 -12.579 3.479 137 HG2 PRO 30 1HG PRO 30 -3.077 -11.658 1.496 138 HG3 PRO 30 2HG PRO 30 -2.953 -13.216 1.958 139 HD2 PRO 30 1HD PRO 30 -4.952 -11.958 2.667 140 HD3 PRO 30 2HD PRO 30 -4.240 -13.010 3.691 141 H THR 31 H THR 31 -0.309 -9.403 4.276 142 HA THR 31 HA THR 31 -1.468 -6.851 3.533 143 HB THR 31 HB THR 31 0.866 -6.013 3.655 144 HG1 THR 31 HG1 THR 31 1.888 -7.923 2.833 145 HG21 THR 31 1HG2 THR 31 1.277 -6.558 6.028 146 HG22 THR 31 2HG2 THR 31 -0.450 -6.246 5.733 147 HG23 THR 31 3HG2 THR 31 0.133 -7.918 5.914 148 HA PRO 32 HA PRO 32 -1.205 -6.683 -0.698 149 HB2 PRO 32 1HB PRO 32 -0.091 -4.229 -0.373 150 HB3 PRO 32 2HB PRO 32 -1.497 -4.669 -1.069 151 HG2 PRO 32 1HG PRO 32 -1.104 -4.110 1.446 152 HG3 PRO 32 2HG PRO 32 -2.401 -3.692 0.550 153 HD2 PRO 32 1HD PRO 32 -0.435 -5.031 2.675 154 HD3 PRO 32 2HD PRO 32 -1.959 -5.125 2.101 155 H VAL 33 H VAL 33 0.111 -7.148 -2.419 156 HA VAL 33 HA VAL 33 3.017 -7.367 -1.683 157 HB VAL 33 HB VAL 33 1.432 -8.676 -3.934 158 HG11 VAL 33 1HG1 VAL 33 3.483 -10.020 -4.250 159 HG12 VAL 33 2HG1 VAL 33 3.809 -8.289 -4.494 160 HG13 VAL 33 3HG1 VAL 33 4.295 -9.081 -2.976 161 HG21 VAL 33 3HG2 VAL 33 0.773 -9.554 -1.774 162 HG22 VAL 33 1HG2 VAL 33 1.728 -10.751 -2.679 163 HG23 VAL 33 2HG2 VAL 33 2.478 -9.837 -1.347 164 H TYR 34 H TYR 34 4.410 -6.014 -2.368 165 HA TYR 34 HA TYR 34 3.631 -4.193 -4.599 166 HB2 TYR 34 1HB TYR 34 4.329 -3.186 -2.482 167 HB3 TYR 34 2HB TYR 34 5.879 -4.058 -2.581 168 HD1 TYR 34 HD1 TYR 34 3.793 -1.512 -4.352 169 HD2 TYR 34 HD2 TYR 34 7.701 -3.103 -3.731 170 HE1 TYR 34 HE1 TYR 34 4.755 0.360 -5.658 171 HE2 TYR 34 HE2 TYR 34 8.677 -1.243 -5.031 172 HH TYR 34 HH TYR 34 6.646 1.320 -6.472 173 H GLU 35 H GLU 35 4.382 -4.386 -6.546 174 HA GLU 35 HA GLU 35 7.054 -5.702 -6.904 175 HB2 GLU 35 1HB GLU 35 4.609 -5.905 -8.669 176 HB3 GLU 35 2HB GLU 35 6.230 -6.520 -9.073 177 HG2 GLU 35 1HG GLU 35 6.050 -8.104 -7.068 178 HG3 GLU 35 2HG GLU 35 4.443 -7.378 -6.838 179 H ILE 36 H ILE 36 8.360 -4.971 -8.560 180 HA ILE 36 HA ILE 36 7.676 -2.186 -9.477 181 HB ILE 36 HB ILE 36 10.400 -3.444 -8.907 182 HG12 ILE 36 1HG1 ILE 36 9.001 -1.192 -7.492 183 HG13 ILE 36 2HG1 ILE 36 9.044 -2.879 -6.930 184 HG21 ILE 36 1HG2 ILE 36 11.284 -1.187 -9.394 185 HG22 ILE 36 2HG2 ILE 36 10.451 -1.867 -10.810 186 HG23 ILE 36 3HG2 ILE 36 9.645 -0.635 -9.811 187 HD11 ILE 36 3HD1 ILE 36 11.457 -1.078 -7.334 188 HD12 ILE 36 1HD1 ILE 36 10.733 -1.512 -5.769 189 HD13 ILE 36 2HD1 ILE 36 11.500 -2.765 -6.772 190 H VAL 37 H VAL 37 7.338 -1.858 -11.479 191 HA VAL 37 HA VAL 37 8.523 -3.786 -13.472 192 HB VAL 37 HB VAL 37 6.102 -1.952 -13.729 193 HG11 VAL 37 1HG1 VAL 37 5.770 -3.117 -15.884 194 HG12 VAL 37 2HG1 VAL 37 7.333 -2.268 -15.851 195 HG13 VAL 37 3HG1 VAL 37 7.273 -4.032 -15.623 196 HG21 VAL 37 3HG2 VAL 37 5.637 -3.816 -12.253 197 HG22 VAL 37 1HG2 VAL 37 4.789 -4.012 -13.806 198 HG23 VAL 37 2HG2 VAL 37 6.258 -4.959 -13.468 199 H LYS 38 H LYS 38 10.164 -3.171 -14.550 200 HA LYS 38 HA LYS 38 10.362 -0.264 -15.272 201 HB2 LYS 38 1HB LYS 38 11.994 -0.894 -13.545 202 HB3 LYS 38 2HB LYS 38 12.607 -2.177 -14.615 203 HG2 LYS 38 1HG LYS 38 13.303 -0.482 -16.257 204 HG3 LYS 38 2HG LYS 38 12.685 0.804 -15.193 205 HD2 LYS 38 1HD LYS 38 14.284 0.119 -13.444 206 HD3 LYS 38 2HD LYS 38 14.907 -1.154 -14.520 207 HE2 LYS 38 1HE LYS 38 15.622 0.532 -16.138 208 HE3 LYS 38 2HE LYS 38 14.949 1.821 -15.113 209 HZ1 LYS 38 3HZ LYS 38 17.160 0.016 -14.366 210 HZ2 LYS 38 1HZ LYS 38 17.321 1.595 -14.815 211 HZ3 LYS 38 2HZ LYS 38 16.535 1.211 -13.415 212 H GLU 39 H GLU 39 10.178 0.093 -17.325 213 HA GLU 39 HA GLU 39 11.106 -2.034 -19.227 214 HB2 GLU 39 1HB GLU 39 8.618 -0.325 -19.378 215 HB3 GLU 39 2HB GLU 39 9.227 -1.377 -20.681 216 HG2 GLU 39 1HG GLU 39 8.884 -3.381 -19.119 217 HG3 GLU 39 2HG GLU 39 8.284 -2.175 -17.958 218 H GLY 40 H GLY 40 11.883 -1.391 -21.211 219 HA2 GLY 40 1HA GLY 40 12.421 0.232 -22.873 220 HA3 GLY 40 2HA GLY 40 12.156 1.526 -21.682 221 HA PRO 41 HA PRO 41 16.666 0.542 -22.102 222 HB2 PRO 41 1HB PRO 41 17.330 2.692 -23.218 223 HB3 PRO 41 2HB PRO 41 16.799 1.393 -24.046 224 HG2 PRO 41 1HG PRO 41 15.473 3.582 -23.552 225 HG3 PRO 41 2HG PRO 41 15.461 2.733 -24.945 226 HD2 PRO 41 1HD PRO 41 13.570 2.393 -23.402 227 HD3 PRO 41 2HD PRO 41 14.201 1.120 -24.204 228 H SER 42 H SER 42 18.401 1.412 -20.874 229 HA SER 42 HA SER 42 17.596 2.663 -18.409 230 HB2 SER 42 1HB SER 42 19.809 2.799 -17.868 231 HB3 SER 42 2HB SER 42 19.482 1.238 -18.656 232 HG SER 42 HG SER 42 21.413 2.221 -19.398 233 H HIS 43 H HIS 43 18.312 3.955 -21.565 234 HA HIS 43 HA HIS 43 19.096 6.612 -20.614 235 HB2 HIS 43 1HB HIS 43 18.328 5.571 -23.377 236 HB3 HIS 43 2HB HIS 43 18.903 7.222 -23.041 237 HD2 HIS 43 HD2 HIS 43 20.416 3.819 -24.056 238 HE1 HIS 43 HE1 HIS 43 23.507 6.170 -22.332 239 HE2 HIS 43 HE2 HIS 43 22.886 4.025 -23.720 240 H LYS 44 H LYS 44 16.131 4.970 -21.315 241 HA LYS 44 HA LYS 44 14.610 7.326 -20.424 242 HB2 LYS 44 1HB LYS 44 14.929 7.736 -22.833 243 HB3 LYS 44 2HB LYS 44 14.187 6.157 -23.180 244 HG2 LYS 44 1HG LYS 44 12.073 6.908 -22.209 245 HG3 LYS 44 2HG LYS 44 12.806 8.471 -21.781 246 HD2 LYS 44 1HD LYS 44 13.198 8.948 -24.160 247 HD3 LYS 44 2HD LYS 44 12.480 7.378 -24.596 248 HE2 LYS 44 1HE LYS 44 10.346 8.075 -23.595 249 HE3 LYS 44 2HE LYS 44 11.062 9.644 -23.158 250 HZ1 LYS 44 3HZ LYS 44 10.718 8.621 -25.904 251 HZ2 LYS 44 1HZ LYS 44 9.789 9.781 -25.190 252 HZ3 LYS 44 2HZ LYS 44 11.383 10.076 -25.500 253 H SER 45 H SER 45 14.790 5.202 -18.954 254 HA SER 45 HA SER 45 12.874 3.053 -19.597 255 HB2 SER 45 1HB SER 45 13.378 2.164 -17.559 256 HB3 SER 45 2HB SER 45 14.877 2.674 -18.370 257 HG SER 45 HG SER 45 14.842 4.537 -17.029 258 H LEU 46 H LEU 46 10.872 2.718 -18.692 259 HA LEU 46 HA LEU 46 9.717 4.982 -17.102 260 HB2 LEU 46 1HB LEU 46 8.486 2.876 -18.756 261 HB3 LEU 46 2HB LEU 46 7.478 4.076 -17.916 262 HG LEU 46 HG LEU 46 9.439 4.601 -20.182 263 HD11 LEU 46 1HD1 LEU 46 7.377 5.296 -21.431 264 HD12 LEU 46 2HD1 LEU 46 7.274 3.599 -20.906 265 HD13 LEU 46 3HD1 LEU 46 6.392 4.863 -20.015 266 HD21 LEU 46 3HD2 LEU 46 9.482 6.419 -18.579 267 HD22 LEU 46 1HD2 LEU 46 8.664 6.944 -20.069 268 HD23 LEU 46 2HD2 LEU 46 7.708 6.539 -18.623 269 H PHE 47 H PHE 47 8.581 4.614 -15.264 270 HA PHE 47 HA PHE 47 9.004 1.885 -14.084 271 HB2 PHE 47 1HB PHE 47 9.017 4.634 -12.767 272 HB3 PHE 47 2HB PHE 47 9.030 3.096 -11.877 273 HD1 PHE 47 HD2 PHE 47 10.979 1.691 -11.842 274 HD2 PHE 47 HD1 PHE 47 10.950 5.404 -13.956 275 HE1 PHE 47 HE2 PHE 47 13.447 1.635 -11.971 276 HE2 PHE 47 HE1 PHE 47 13.417 5.349 -14.090 277 HZ PHE 47 HZ PHE 47 14.666 3.464 -13.096 278 H GLN 48 H GLN 48 7.372 0.790 -13.286 279 HA GLN 48 HA GLN 48 4.828 2.235 -12.709 280 HB2 GLN 48 1HB GLN 48 4.654 1.287 -14.967 281 HB3 GLN 48 2HB GLN 48 5.098 -0.311 -14.322 282 HG2 GLN 48 1HG GLN 48 2.784 -0.242 -12.950 283 HG3 GLN 48 2HG GLN 48 2.838 1.377 -13.685 284 HE21 GLN 48 2HE2 GLN 48 1.144 1.398 -15.042 285 HE22 GLN 48 1HE2 GLN 48 0.855 0.233 -16.292 286 H SER 49 H SER 49 3.939 1.732 -10.866 287 HA SER 49 HA SER 49 5.154 -0.450 -9.207 288 HB2 SER 49 1HB SER 49 3.400 1.833 -8.551 289 HB3 SER 49 2HB SER 49 3.885 0.540 -7.432 290 HG SER 49 HG SER 49 5.790 1.994 -8.916 291 H THR 50 H THR 50 4.064 -2.224 -8.557 292 HA THR 50 HA THR 50 1.166 -2.446 -9.301 293 HB THR 50 HB THR 50 3.286 -4.635 -9.398 294 HG1 THR 50 HG1 THR 50 1.688 -3.669 -11.544 295 HG21 THR 50 1HG2 THR 50 1.450 -6.047 -10.257 296 HG22 THR 50 2HG2 THR 50 1.092 -5.462 -8.615 297 HG23 THR 50 3HG2 THR 50 0.306 -4.705 -10.020 298 H VAL 51 H VAL 51 -0.092 -2.563 -7.636 299 HA VAL 51 HA VAL 51 0.896 -4.019 -5.185 300 HB VAL 51 HB VAL 51 -1.194 -1.812 -5.407 301 HG11 VAL 51 1HG1 VAL 51 -1.236 -1.949 -2.939 302 HG12 VAL 51 2HG1 VAL 51 -1.724 -3.494 -3.675 303 HG13 VAL 51 3HG1 VAL 51 -0.090 -3.309 -2.995 304 HG21 VAL 51 3HG2 VAL 51 1.049 -0.934 -5.667 305 HG22 VAL 51 1HG2 VAL 51 0.367 -0.469 -4.090 306 HG23 VAL 51 2HG2 VAL 51 1.571 -1.777 -4.189 307 H ILE 52 H ILE 52 0.160 -5.931 -4.964 308 HA ILE 52 HA ILE 52 -2.584 -6.540 -6.031 309 HB ILE 52 HB ILE 52 -0.257 -8.404 -5.370 310 HG12 ILE 52 1HG1 ILE 52 -1.445 -7.730 -8.047 311 HG13 ILE 52 2HG1 ILE 52 0.025 -6.986 -7.375 312 HG21 ILE 52 1HG2 ILE 52 -1.686 -10.155 -6.372 313 HG22 ILE 52 2HG2 ILE 52 -2.469 -9.427 -4.949 314 HG23 ILE 52 3HG2 ILE 52 -2.994 -8.966 -6.586 315 HD11 ILE 52 3HD1 ILE 52 -0.361 -9.942 -7.965 316 HD12 ILE 52 1HD1 ILE 52 0.585 -8.799 -8.945 317 HD13 ILE 52 2HD1 ILE 52 1.108 -9.197 -7.292 318 H LEU 53 H LEU 53 -4.166 -6.672 -4.727 319 HA LEU 53 HA LEU 53 -3.731 -7.836 -2.029 320 HB2 LEU 53 1HB LEU 53 -3.389 -5.599 -1.724 321 HB3 LEU 53 2HB LEU 53 -4.866 -5.035 -2.537 322 HG LEU 53 HG LEU 53 -6.179 -6.303 -0.771 323 HD11 LEU 53 1HD1 LEU 53 -4.964 -6.783 1.370 324 HD12 LEU 53 2HD1 LEU 53 -4.309 -7.747 0.025 325 HD13 LEU 53 3HD1 LEU 53 -3.437 -6.302 0.594 326 HD21 LEU 53 3HD2 LEU 53 -5.976 -3.888 -0.734 327 HD22 LEU 53 1HD2 LEU 53 -5.933 -4.527 0.927 328 HD23 LEU 53 2HD2 LEU 53 -4.428 -4.003 0.136 329 H ASP 54 H ASP 54 -5.173 -9.288 -1.590 330 HA ASP 54 HA ASP 54 -7.163 -10.486 -1.620 331 HB2 ASP 54 1HB ASP 54 -8.018 -7.984 -1.004 332 HB3 ASP 54 2HB ASP 54 -8.527 -8.145 -2.704 333 H GLY 55 H GLY 55 -5.479 -10.381 -3.966 334 HA2 GLY 55 1HA GLY 55 -5.591 -11.467 -6.017 335 HA3 GLY 55 2HA GLY 55 -7.332 -11.721 -5.754 336 H VAL 56 H VAL 56 -6.429 -8.483 -5.318 337 HA VAL 56 HA VAL 56 -7.295 -7.785 -8.123 338 HB VAL 56 HB VAL 56 -7.617 -6.163 -5.563 339 HG11 VAL 56 1HG1 VAL 56 -8.984 -4.684 -6.997 340 HG12 VAL 56 2HG1 VAL 56 -7.315 -4.799 -7.603 341 HG13 VAL 56 3HG1 VAL 56 -8.618 -5.709 -8.404 342 HG21 VAL 56 3HG2 VAL 56 -9.095 -8.082 -5.537 343 HG22 VAL 56 1HG2 VAL 56 -10.013 -6.581 -5.801 344 HG23 VAL 56 2HG2 VAL 56 -9.683 -7.675 -7.167 345 H ARG 57 H ARG 57 -5.982 -6.813 -9.390 346 HA ARG 57 HA ARG 57 -3.360 -5.970 -8.246 347 HB2 ARG 57 1HB ARG 57 -3.281 -7.613 -9.969 348 HB3 ARG 57 2HB ARG 57 -4.151 -6.522 -11.072 349 HG2 ARG 57 1HG ARG 57 -2.305 -4.973 -11.097 350 HG3 ARG 57 2HG ARG 57 -1.458 -5.896 -9.832 351 HD2 ARG 57 1HD ARG 57 -2.055 -6.841 -12.619 352 HD3 ARG 57 2HD ARG 57 -0.494 -6.231 -12.020 353 HE ARG 57 HE ARG 57 -1.040 -8.522 -10.422 354 HH11 ARG 57 1HH1 ARG 57 -0.790 -7.938 -13.851 355 HH12 ARG 57 2HH1 ARG 57 -0.200 -9.570 -14.092 356 HH21 ARG 57 1HH2 ARG 57 -0.374 -10.397 -10.683 357 HH22 ARG 57 2HH2 ARG 57 0.036 -10.975 -12.287 358 H TYR 58 H TYR 58 -2.800 -3.969 -7.991 359 HA TYR 58 HA TYR 58 -4.355 -1.869 -9.469 360 HB2 TYR 58 1HB TYR 58 -2.856 -1.603 -6.859 361 HB3 TYR 58 2HB TYR 58 -3.875 -0.378 -7.652 362 HD1 TYR 58 HD2 TYR 58 -6.376 -1.090 -8.047 363 HD2 TYR 58 HD1 TYR 58 -3.803 -2.931 -5.188 364 HE1 TYR 58 HE2 TYR 58 -8.353 -1.923 -6.820 365 HE2 TYR 58 HE1 TYR 58 -5.773 -3.773 -3.945 366 HH TYR 58 HH TYR 58 -8.040 -3.872 -3.842 367 H ASN 59 H ASN 59 -3.231 -1.415 -11.224 368 HA ASN 59 HA ASN 59 -0.278 -1.085 -11.001 369 HB2 ASN 59 1HB ASN 59 -1.934 -1.062 -13.634 370 HB3 ASN 59 2HB ASN 59 -0.235 -0.839 -13.150 371 HD21 ASN 59 2HD2 ASN 59 -2.658 -3.035 -14.000 372 HD22 ASN 59 1HD2 ASN 59 -1.797 -4.502 -13.676 373 H SER 60 H SER 60 0.803 0.755 -11.241 374 HA SER 60 HA SER 60 -0.566 3.327 -10.891 375 HB2 SER 60 1HB SER 60 1.493 4.287 -10.867 376 HB3 SER 60 2HB SER 60 1.542 2.793 -9.905 377 HG SER 60 HG SER 60 2.681 3.324 -12.425 378 H LEU 61 H LEU 61 -0.038 5.163 -12.347 379 HA LEU 61 HA LEU 61 -0.736 4.555 -15.115 380 HB2 LEU 61 1HB LEU 61 0.155 6.963 -13.674 381 HB3 LEU 61 2HB LEU 61 -0.369 7.103 -15.368 382 HG LEU 61 HG LEU 61 -2.084 6.253 -13.001 383 HD11 LEU 61 1HD1 LEU 61 -3.328 8.378 -13.483 384 HD12 LEU 61 2HD1 LEU 61 -1.623 8.702 -13.086 385 HD13 LEU 61 3HD1 LEU 61 -2.167 8.745 -14.780 386 HD21 LEU 61 3HD2 LEU 61 -2.705 5.044 -15.008 387 HD22 LEU 61 1HD2 LEU 61 -3.958 6.243 -14.611 388 HD23 LEU 61 2HD2 LEU 61 -2.804 6.564 -15.929 389 HA PRO 62 HA PRO 62 3.284 4.080 -16.598 390 HB2 PRO 62 1HB PRO 62 2.669 3.973 -19.021 391 HB3 PRO 62 2HB PRO 62 2.290 2.786 -17.971 392 HG2 PRO 62 1HG PRO 62 0.667 4.554 -18.987 393 HG3 PRO 62 2HG PRO 62 0.346 2.975 -18.732 394 HD2 PRO 62 1HD PRO 62 -0.502 4.510 -17.012 395 HD3 PRO 62 2HD PRO 62 0.147 3.090 -16.542 396 H GLY 63 H GLY 63 4.891 5.096 -18.004 397 HA2 GLY 63 1HA GLY 63 5.547 6.908 -19.415 398 HA3 GLY 63 2HA GLY 63 4.064 7.781 -18.966 399 H PHE 64 H PHE 64 5.353 6.406 -16.215 400 HA PHE 64 HA PHE 64 6.448 9.008 -15.317 401 HB2 PHE 64 1HB PHE 64 5.899 6.378 -13.878 402 HB3 PHE 64 2HB PHE 64 6.600 7.815 -13.099 403 HD1 PHE 64 HD1 PHE 64 4.629 9.444 -15.190 404 HD2 PHE 64 HD2 PHE 64 4.238 6.636 -11.994 405 HE1 PHE 64 HE1 PHE 64 2.358 10.299 -14.718 406 HE2 PHE 64 HE2 PHE 64 1.965 7.487 -11.521 407 HZ PHE 64 HZ PHE 64 1.027 9.322 -12.884 408 H PHE 65 H PHE 65 8.481 9.446 -14.713 409 HA PHE 65 HA PHE 65 10.515 7.499 -15.738 410 HB2 PHE 65 1HB PHE 65 10.619 10.528 -15.407 411 HB3 PHE 65 2HB PHE 65 11.990 9.517 -15.918 412 HD1 PHE 65 HD2 PHE 65 11.911 8.328 -18.070 413 HD2 PHE 65 HD1 PHE 65 8.920 11.147 -16.904 414 HE1 PHE 65 HE2 PHE 65 11.188 8.532 -20.425 415 HE2 PHE 65 HE1 PHE 65 8.192 11.352 -19.258 416 HZ PHE 65 HZ PHE 65 9.326 10.043 -21.019 417 H ASN 66 H ASN 66 9.149 7.867 -12.967 418 HA ASN 66 HA ASN 66 11.598 7.101 -11.531 419 HB2 ASN 66 1HB ASN 66 11.534 8.925 -9.795 420 HB3 ASN 66 2HB ASN 66 11.501 9.370 -11.519 421 HD21 ASN 66 2HD2 ASN 66 10.283 11.026 -11.918 422 HD22 ASN 66 1HD2 ASN 66 8.790 11.426 -11.134 423 H ARG 67 H ARG 67 11.152 6.366 -9.325 424 HA ARG 67 HA ARG 67 8.838 4.570 -9.506 425 HB2 ARG 67 1HB ARG 67 11.033 4.825 -7.504 426 HB3 ARG 67 2HB ARG 67 9.675 3.683 -7.373 427 HG2 ARG 67 1HG ARG 67 10.347 2.610 -9.462 428 HG3 ARG 67 2HG ARG 67 11.678 3.778 -9.651 429 HD2 ARG 67 1HD ARG 67 12.727 2.917 -7.660 430 HD3 ARG 67 2HD ARG 67 11.387 1.767 -7.440 431 HE ARG 67 HE ARG 67 12.562 1.126 -9.974 432 HH11 ARG 67 1HH1 ARG 67 13.659 1.264 -6.667 433 HH12 ARG 67 2HH1 ARG 67 14.806 -0.023 -6.987 434 HH21 ARG 67 1HH2 ARG 67 13.875 -0.342 -10.359 435 HH22 ARG 67 2HH2 ARG 67 14.931 -0.938 -9.093 436 H LYS 68 H LYS 68 9.709 7.460 -7.720 437 HA LYS 68 HA LYS 68 7.932 7.139 -5.517 438 HB2 LYS 68 1HB LYS 68 9.738 8.796 -5.635 439 HB3 LYS 68 2HB LYS 68 8.837 9.675 -6.893 440 HG2 LYS 68 1HG LYS 68 7.040 10.154 -5.309 441 HG3 LYS 68 2HG LYS 68 7.876 9.214 -4.049 442 HD2 LYS 68 1HD LYS 68 9.760 10.782 -4.108 443 HD3 LYS 68 2HD LYS 68 8.964 11.707 -5.403 444 HE2 LYS 68 1HE LYS 68 7.084 12.198 -3.892 445 HE3 LYS 68 2HE LYS 68 7.891 11.285 -2.596 446 HZ1 LYS 68 3HZ LYS 68 8.944 13.718 -3.891 447 HZ2 LYS 68 1HZ LYS 68 8.268 13.648 -2.387 448 HZ3 LYS 68 2HZ LYS 68 9.692 12.871 -2.689 449 H ALA 69 H ALA 69 7.416 8.782 -8.641 450 HA ALA 69 HA ALA 69 4.724 9.561 -8.069 451 HB1 ALA 69 3HB ALA 69 6.059 9.007 -10.740 452 HB2 ALA 69 1HB ALA 69 4.521 9.870 -10.505 453 HB3 ALA 69 2HB ALA 69 6.036 10.566 -9.882 454 H ALA 70 H ALA 70 6.081 6.664 -9.618 455 HA ALA 70 HA ALA 70 3.603 5.475 -10.349 456 HB1 ALA 70 3HB ALA 70 6.209 4.144 -9.535 457 HB2 ALA 70 1HB ALA 70 4.861 3.357 -10.386 458 HB3 ALA 70 2HB ALA 70 5.766 4.669 -11.176 459 H GLU 71 H GLU 71 5.465 5.308 -7.325 460 HA GLU 71 HA GLU 71 3.794 3.361 -6.038 461 HB2 GLU 71 1HB GLU 71 5.573 5.558 -4.980 462 HB3 GLU 71 2HB GLU 71 4.721 4.392 -3.938 463 HG2 GLU 71 1HG GLU 71 6.024 2.511 -5.002 464 HG3 GLU 71 2HG GLU 71 6.692 3.747 -6.091 465 H GLN 72 H GLN 72 3.675 6.915 -6.098 466 HA GLN 72 HA GLN 72 1.462 7.113 -4.260 467 HB2 GLN 72 1HB GLN 72 2.510 8.949 -6.419 468 HB3 GLN 72 2HB GLN 72 1.182 9.374 -5.315 469 HG2 GLN 72 1HG GLN 72 2.978 9.145 -3.315 470 HG3 GLN 72 2HG GLN 72 3.915 8.630 -4.737 471 HE21 GLN 72 2HE2 GLN 72 4.633 10.713 -2.912 472 HE22 GLN 72 1HE2 GLN 72 4.658 12.202 -3.798 473 H SER 73 H SER 73 1.663 6.887 -7.792 474 HA SER 73 HA SER 73 -1.131 7.307 -8.396 475 HB2 SER 73 1HB SER 73 0.428 7.536 -10.052 476 HB3 SER 73 2HB SER 73 1.005 5.868 -9.842 477 HG SER 73 HG SER 73 -1.603 6.649 -10.641 478 H ALA 74 H ALA 74 0.806 4.358 -7.748 479 HA ALA 74 HA ALA 74 -1.335 2.507 -8.132 480 HB1 ALA 74 3HB ALA 74 1.144 2.267 -6.395 481 HB2 ALA 74 1HB ALA 74 0.089 0.924 -6.894 482 HB3 ALA 74 2HB ALA 74 1.020 1.824 -8.114 483 H ALA 75 H ALA 75 -0.170 4.210 -5.241 484 HA ALA 75 HA ALA 75 -1.952 2.939 -3.401 485 HB1 ALA 75 3HB ALA 75 -0.735 5.719 -3.317 486 HB2 ALA 75 1HB ALA 75 -1.495 4.875 -1.948 487 HB3 ALA 75 2HB ALA 75 -0.002 4.232 -2.672 488 H GLU 76 H GLU 76 -2.293 5.833 -5.430 489 HA GLU 76 HA GLU 76 -4.827 6.659 -4.343 490 HB2 GLU 76 1HB GLU 76 -3.450 7.121 -6.984 491 HB3 GLU 76 2HB GLU 76 -5.040 7.815 -6.586 492 HG2 GLU 76 1HG GLU 76 -4.021 9.129 -4.722 493 HG3 GLU 76 2HG GLU 76 -2.534 8.196 -5.006 494 H VAL 77 H VAL 77 -3.971 4.566 -7.085 495 HA VAL 77 HA VAL 77 -6.687 4.117 -7.978 496 HB VAL 77 HB VAL 77 -4.154 2.447 -8.234 497 HG11 VAL 77 1HG1 VAL 77 -5.394 1.163 -9.945 498 HG12 VAL 77 2HG1 VAL 77 -6.160 1.006 -8.346 499 HG13 VAL 77 3HG1 VAL 77 -6.868 2.088 -9.570 500 HG21 VAL 77 3HG2 VAL 77 -4.061 4.571 -9.396 501 HG22 VAL 77 1HG2 VAL 77 -4.181 3.223 -10.551 502 HG23 VAL 77 2HG2 VAL 77 -5.611 4.222 -10.198 503 H ALA 78 H ALA 78 -4.628 2.337 -5.691 504 HA ALA 78 HA ALA 78 -6.539 0.265 -5.215 505 HB1 ALA 78 3HB ALA 78 -4.361 1.350 -3.398 506 HB2 ALA 78 1HB ALA 78 -5.223 -0.191 -3.183 507 HB3 ALA 78 2HB ALA 78 -4.174 0.051 -4.599 508 H LEU 79 H LEU 79 -5.952 3.369 -3.579 509 HA LEU 79 HA LEU 79 -7.902 2.930 -1.499 510 HB2 LEU 79 1HB LEU 79 -6.641 5.271 -2.748 511 HB3 LEU 79 2HB LEU 79 -7.739 5.552 -1.376 512 HG LEU 79 HG LEU 79 -5.176 3.910 -1.302 513 HD11 LEU 79 1HD1 LEU 79 -4.310 5.774 0.135 514 HD12 LEU 79 2HD1 LEU 79 -4.746 6.358 -1.489 515 HD13 LEU 79 3HD1 LEU 79 -5.836 6.654 -0.112 516 HD21 LEU 79 3HD2 LEU 79 -6.856 3.066 0.230 517 HD22 LEU 79 1HD2 LEU 79 -5.546 3.855 1.140 518 HD23 LEU 79 2HD2 LEU 79 -7.099 4.694 0.907 519 H ARG 80 H ARG 80 -8.075 4.455 -4.695 520 HA ARG 80 HA ARG 80 -10.774 5.427 -4.376 521 HB2 ARG 80 1HB ARG 80 -9.099 4.896 -6.779 522 HB3 ARG 80 2HB ARG 80 -10.780 5.472 -6.856 523 HG2 ARG 80 1HG ARG 80 -10.179 7.476 -5.604 524 HG3 ARG 80 2HG ARG 80 -8.506 6.891 -5.436 525 HD2 ARG 80 1HD ARG 80 -8.212 7.036 -7.829 526 HD3 ARG 80 2HD ARG 80 -9.888 7.610 -8.002 527 HE ARG 80 HE ARG 80 -8.503 9.520 -6.337 528 HH11 ARG 80 1HH1 ARG 80 -8.315 8.347 -9.616 529 HH12 ARG 80 2HH1 ARG 80 -7.715 9.907 -10.145 530 HH21 ARG 80 1HH2 ARG 80 -7.809 11.307 -6.926 531 HH22 ARG 80 2HH2 ARG 80 -7.425 11.596 -8.612 532 H GLU 81 H GLU 81 -9.430 2.424 -5.719 533 HA GLU 81 HA GLU 81 -11.968 1.334 -6.537 534 HB2 GLU 81 1HB GLU 81 -9.310 0.107 -5.816 535 HB3 GLU 81 2HB GLU 81 -10.718 -0.861 -6.321 536 HG2 GLU 81 1HG GLU 81 -9.285 1.248 -8.049 537 HG3 GLU 81 2HG GLU 81 -9.224 -0.528 -8.126 538 H LEU 82 H LEU 82 -10.148 1.179 -3.499 539 HA LEU 82 HA LEU 82 -11.959 -0.602 -2.153 540 HB2 LEU 82 1HB LEU 82 -9.818 -0.161 -1.426 541 HB3 LEU 82 2HB LEU 82 -10.075 1.564 -1.073 542 HG LEU 82 HG LEU 82 -11.794 0.879 0.632 543 HD11 LEU 82 1HD1 LEU 82 -11.716 -1.496 1.438 544 HD12 LEU 82 2HD1 LEU 82 -12.238 -1.407 -0.259 545 HD13 LEU 82 3HD1 LEU 82 -10.571 -1.886 0.134 546 HD21 LEU 82 3HD2 LEU 82 -9.555 1.528 1.299 547 HD22 LEU 82 1HD2 LEU 82 -10.144 0.216 2.347 548 HD23 LEU 82 2HD2 LEU 82 -8.968 -0.135 1.056 549 H ALA 83 H ALA 83 -11.881 2.938 -2.450 550 HA ALA 83 HA ALA 83 -14.009 3.476 -0.655 551 HB1 ALA 83 3HB ALA 83 -13.205 4.976 -3.171 552 HB2 ALA 83 1HB ALA 83 -14.241 5.608 -1.870 553 HB3 ALA 83 2HB ALA 83 -12.534 5.224 -1.543 554 H LYS 84 H LYS 84 -14.030 2.355 -3.982 555 HA LYS 84 HA LYS 84 -16.762 3.058 -4.568 556 HB2 LYS 84 1HB LYS 84 -14.881 0.983 -5.692 557 HB3 LYS 84 2HB LYS 84 -16.521 1.268 -6.320 558 HG2 LYS 84 1HG LYS 84 -15.932 3.558 -6.915 559 HG3 LYS 84 2HG LYS 84 -14.313 3.349 -6.205 560 HD2 LYS 84 1HD LYS 84 -13.793 1.613 -7.852 561 HD3 LYS 84 2HD LYS 84 -15.424 1.765 -8.545 562 HE2 LYS 84 1HE LYS 84 -14.962 4.088 -9.164 563 HE3 LYS 84 2HE LYS 84 -13.343 3.970 -8.437 564 HZ1 LYS 84 3HZ LYS 84 -14.311 2.392 -10.735 565 HZ2 LYS 84 1HZ LYS 84 -13.273 3.672 -10.819 566 HZ3 LYS 84 2HZ LYS 84 -12.809 2.282 -10.061 567 H SER 85 H SER 85 -15.357 0.538 -2.677 568 HA SER 85 HA SER 85 -17.491 -1.447 -2.904 569 HB2 SER 85 1HB SER 85 -16.497 -2.549 -1.186 570 HB3 SER 85 2HB SER 85 -15.238 -1.951 -2.291 571 HG SER 85 HG SER 85 -15.991 -0.776 0.179 572 H SER 86 H SER 86 -17.104 1.574 -1.206 573 HA SER 86 HA SER 86 -18.664 1.223 1.158 574 HB2 SER 86 1HB SER 86 -17.342 3.099 0.810 575 HB3 SER 86 2HB SER 86 -18.358 3.614 -0.556 576 HG SER 86 HG SER 86 -18.928 4.639 1.410 Start of MODEL 4 1 H PHE 16 H PHE 16 0.528 4.639 -0.001 2 HA PHE 16 HA PHE 16 -1.452 2.409 0.865 3 HB2 PHE 16 1HB PHE 16 -0.753 0.762 -0.720 4 HB3 PHE 16 2HB PHE 16 -0.748 2.299 -1.613 5 HD1 PHE 16 HD2 PHE 16 1.362 3.405 -2.167 6 HD2 PHE 16 HD1 PHE 16 1.231 -0.458 -0.348 7 HE1 PHE 16 HE2 PHE 16 3.706 3.009 -2.846 8 HE2 PHE 16 HE1 PHE 16 3.576 -0.857 -1.021 9 HZ PHE 16 HZ PHE 16 4.814 0.877 -2.270 10 H LYS 17 H LYS 17 1.948 3.173 1.137 11 HA LYS 17 HA LYS 17 2.725 0.820 2.609 12 HB2 LYS 17 1HB LYS 17 3.829 3.632 2.585 13 HB3 LYS 17 2HB LYS 17 4.600 2.241 3.385 14 HG2 LYS 17 1HG LYS 17 4.791 1.108 1.192 15 HG3 LYS 17 2HG LYS 17 4.072 2.536 0.409 16 HD2 LYS 17 1HD LYS 17 5.943 3.920 1.246 17 HD3 LYS 17 2HD LYS 17 6.668 2.473 1.985 18 HE2 LYS 17 1HE LYS 17 6.852 1.428 -0.229 19 HE3 LYS 17 2HE LYS 17 6.120 2.867 -0.973 20 HZ1 LYS 17 3HZ LYS 17 8.678 2.810 0.496 21 HZ2 LYS 17 1HZ LYS 17 8.515 2.900 -1.143 22 HZ3 LYS 17 2HZ LYS 17 7.999 4.146 -0.194 23 H SER 18 H SER 18 2.282 0.163 4.546 24 HA SER 18 HA SER 18 1.736 0.287 6.888 25 HB2 SER 18 1HB SER 18 3.199 2.240 6.835 26 HB3 SER 18 2HB SER 18 1.730 3.223 6.639 27 HG SER 18 HG SER 18 2.326 2.945 8.832 28 H ARG 19 H ARG 19 0.132 2.936 5.059 29 HA ARG 19 HA ARG 19 -2.320 2.878 6.480 30 HB2 ARG 19 1HB ARG 19 -1.683 4.694 5.073 31 HB3 ARG 19 2HB ARG 19 -1.850 3.656 3.637 32 HG2 ARG 19 1HG ARG 19 -4.239 3.419 4.047 33 HG3 ARG 19 2HG ARG 19 -4.098 4.374 5.543 34 HD2 ARG 19 1HD ARG 19 -3.474 6.314 4.259 35 HD3 ARG 19 2HD ARG 19 -3.575 5.363 2.758 36 HE ARG 19 HE ARG 19 -6.026 5.631 2.889 37 HH11 ARG 19 1HH1 ARG 19 -4.568 6.639 5.893 38 HH12 ARG 19 2HH1 ARG 19 -6.084 7.361 6.394 39 HH21 ARG 19 1HH2 ARG 19 -7.771 6.446 3.453 40 HH22 ARG 19 2HH2 ARG 19 -7.912 7.251 5.004 41 H LEU 20 H LEU 20 -1.789 1.500 3.219 42 HA LEU 20 HA LEU 20 -4.313 0.131 3.230 43 HB2 LEU 20 1HB LEU 20 -3.201 0.765 1.313 44 HB3 LEU 20 2HB LEU 20 -1.791 -0.297 1.537 45 HG LEU 20 HG LEU 20 -3.403 -2.258 1.451 46 HD11 LEU 20 1HD1 LEU 20 -5.599 -1.827 0.317 47 HD12 LEU 20 2HD1 LEU 20 -5.491 -0.959 1.865 48 HD13 LEU 20 3HD1 LEU 20 -5.249 -0.083 0.335 49 HD21 LEU 20 3HD2 LEU 20 -1.954 -1.701 -0.412 50 HD22 LEU 20 1HD2 LEU 20 -3.533 -2.256 -1.017 51 HD23 LEU 20 2HD2 LEU 20 -3.138 -0.519 -1.018 52 H GLN 21 H GLN 21 -1.029 -0.930 4.045 53 HA GLN 21 HA GLN 21 -1.594 -3.689 4.412 54 HB2 GLN 21 1HB GLN 21 0.318 -1.820 5.821 55 HB3 GLN 21 2HB GLN 21 0.277 -3.578 6.094 56 HG2 GLN 21 1HG GLN 21 0.931 -3.836 3.485 57 HG3 GLN 21 2HG GLN 21 0.728 -2.077 3.665 58 HE21 GLN 21 2HE2 GLN 21 3.056 -3.331 2.650 59 HE22 GLN 21 1HE2 GLN 21 4.357 -3.029 3.754 60 H GLU 22 H GLU 22 -1.843 -1.000 6.738 61 HA GLU 22 HA GLU 22 -2.702 -2.625 8.942 62 HB2 GLU 22 1HB GLU 22 -1.849 -0.335 9.153 63 HB3 GLU 22 2HB GLU 22 -3.297 0.271 8.315 64 HG2 GLU 22 1HG GLU 22 -4.722 -0.568 10.240 65 HG3 GLU 22 2HG GLU 22 -3.201 -1.196 10.917 66 H TYR 23 H TYR 23 -4.547 -0.824 6.483 67 HA TYR 23 HA TYR 23 -7.141 -1.494 7.483 68 HB2 TYR 23 1HB TYR 23 -6.025 -0.730 4.805 69 HB3 TYR 23 2HB TYR 23 -7.716 -1.267 4.956 70 HD1 TYR 23 HD2 TYR 23 -8.970 -0.061 7.045 71 HD2 TYR 23 HD1 TYR 23 -5.694 1.565 4.852 72 HE1 TYR 23 HE2 TYR 23 -9.638 2.211 7.752 73 HE2 TYR 23 HE1 TYR 23 -6.349 3.850 5.553 74 HH TYR 23 HH TYR 23 -9.179 4.439 7.643 75 H ALA 24 H ALA 24 -5.022 -3.184 5.180 76 HA ALA 24 HA ALA 24 -6.815 -5.271 4.514 77 HB1 ALA 24 3HB ALA 24 -3.791 -5.369 4.788 78 HB2 ALA 24 1HB ALA 24 -4.797 -6.565 3.938 79 HB3 ALA 24 2HB ALA 24 -4.696 -4.894 3.332 80 H GLN 25 H GLN 25 -4.448 -5.071 7.176 81 HA GLN 25 HA GLN 25 -5.008 -7.631 8.304 82 HB2 GLN 25 1HB GLN 25 -4.112 -5.022 9.538 83 HB3 GLN 25 2HB GLN 25 -4.222 -6.552 10.437 84 HG2 GLN 25 1HG GLN 25 -2.347 -7.504 8.748 85 HG3 GLN 25 2HG GLN 25 -2.680 -5.887 8.085 86 HE21 GLN 25 2HE2 GLN 25 -0.113 -6.871 8.841 87 HE22 GLN 25 1HE2 GLN 25 0.458 -5.904 10.161 88 H LYS 26 H LYS 26 -6.521 -4.464 8.865 89 HA LYS 26 HA LYS 26 -8.362 -5.419 10.874 90 HB2 LYS 26 1HB LYS 26 -8.443 -3.074 8.975 91 HB3 LYS 26 2HB LYS 26 -9.657 -3.376 10.241 92 HG2 LYS 26 1HG LYS 26 -7.917 -3.186 11.965 93 HG3 LYS 26 2HG LYS 26 -6.692 -2.906 10.706 94 HD2 LYS 26 1HD LYS 26 -7.823 -0.851 10.022 95 HD3 LYS 26 2HD LYS 26 -9.113 -1.145 11.212 96 HE2 LYS 26 1HE LYS 26 -7.475 -0.988 13.035 97 HE3 LYS 26 2HE LYS 26 -6.180 -0.704 11.850 98 HZ1 LYS 26 3HZ LYS 26 -8.507 1.053 12.298 99 HZ2 LYS 26 1HZ LYS 26 -6.968 1.349 12.813 100 HZ3 LYS 26 2HZ LYS 26 -7.306 1.316 11.199 101 H TYR 27 H TYR 27 -8.305 -5.611 7.405 102 HA TYR 27 HA TYR 27 -11.190 -6.359 7.331 103 HB2 TYR 27 1HB TYR 27 -9.151 -5.974 5.130 104 HB3 TYR 27 2HB TYR 27 -10.872 -6.365 4.900 105 HD1 TYR 27 HD1 TYR 27 -11.396 -4.414 7.478 106 HD2 TYR 27 HD2 TYR 27 -9.662 -3.988 3.605 107 HE1 TYR 27 HE1 TYR 27 -11.951 -2.000 7.505 108 HE2 TYR 27 HE2 TYR 27 -10.208 -1.577 3.614 109 HH TYR 27 HH TYR 27 -11.141 0.148 4.773 110 H LYS 28 H LYS 28 -8.481 -7.901 8.148 111 HA LYS 28 HA LYS 28 -7.794 -10.121 8.106 112 HB2 LYS 28 1HB LYS 28 -10.658 -10.595 7.265 113 HB3 LYS 28 2HB LYS 28 -9.518 -11.820 7.870 114 HG2 LYS 28 1HG LYS 28 -9.416 -10.614 10.037 115 HG3 LYS 28 2HG LYS 28 -10.623 -9.458 9.426 116 HD2 LYS 28 1HD LYS 28 -12.213 -11.337 9.097 117 HD3 LYS 28 2HD LYS 28 -11.011 -12.447 9.795 118 HE2 LYS 28 1HE LYS 28 -11.052 -11.183 11.897 119 HE3 LYS 28 2HE LYS 28 -12.242 -10.057 11.201 120 HZ1 LYS 28 3HZ LYS 28 -12.666 -12.943 11.639 121 HZ2 LYS 28 1HZ LYS 28 -13.294 -11.730 12.564 122 HZ3 LYS 28 2HZ LYS 28 -13.769 -11.900 10.993 123 H LEU 29 H LEU 29 -7.354 -8.542 5.777 124 HA LEU 29 HA LEU 29 -7.598 -10.606 3.623 125 HB2 LEU 29 1HB LEU 29 -6.901 -7.741 3.583 126 HB3 LEU 29 2HB LEU 29 -7.057 -8.671 2.074 127 HG LEU 29 HG LEU 29 -9.277 -7.977 4.036 128 HD11 LEU 29 1HD1 LEU 29 -10.209 -6.695 2.092 129 HD12 LEU 29 2HD1 LEU 29 -8.593 -6.102 2.541 130 HD13 LEU 29 3HD1 LEU 29 -8.791 -7.161 1.124 131 HD21 LEU 29 3HD2 LEU 29 -9.600 -10.209 3.148 132 HD22 LEU 29 1HD2 LEU 29 -10.795 -9.095 2.442 133 HD23 LEU 29 2HD2 LEU 29 -9.383 -9.611 1.487 134 HA PRO 30 HA PRO 30 -3.410 -11.563 3.570 135 HB2 PRO 30 1HB PRO 30 -3.716 -11.247 0.873 136 HB3 PRO 30 2HB PRO 30 -3.141 -12.506 1.733 137 HG2 PRO 30 1HG PRO 30 -5.637 -11.993 1.189 138 HG3 PRO 30 2HG PRO 30 -4.928 -13.462 1.198 139 HD2 PRO 30 1HD PRO 30 -6.594 -10.579 1.674 140 HD3 PRO 30 2HD PRO 30 -6.389 -12.083 2.272 141 H THR 31 H THR 31 -1.471 -10.564 3.767 142 HA THR 31 HA THR 31 -1.375 -7.754 3.777 143 HB THR 31 HB THR 31 0.954 -9.647 3.243 144 HG1 THR 31 HG1 THR 31 -0.216 -10.123 5.185 145 HG21 THR 31 1HG2 THR 31 2.307 -7.842 4.249 146 HG22 THR 31 2HG2 THR 31 1.462 -7.271 2.789 147 HG23 THR 31 3HG2 THR 31 0.849 -6.833 4.401 148 HA PRO 32 HA PRO 32 -1.619 -6.675 -0.384 149 HB2 PRO 32 1HB PRO 32 -0.594 -4.381 0.686 150 HB3 PRO 32 2HB PRO 32 -1.922 -4.623 -0.230 151 HG2 PRO 32 1HG PRO 32 -1.744 -4.848 2.361 152 HG3 PRO 32 2HG PRO 32 -2.991 -4.210 1.524 153 HD2 PRO 32 1HD PRO 32 -0.809 -5.995 3.301 154 HD3 PRO 32 2HD PRO 32 -2.344 -5.987 2.751 155 H VAL 33 H VAL 33 -0.338 -6.600 -2.190 156 HA VAL 33 HA VAL 33 2.624 -6.534 -1.613 157 HB VAL 33 HB VAL 33 1.132 -8.147 -3.725 158 HG11 VAL 33 1HG1 VAL 33 3.366 -9.081 -4.224 159 HG12 VAL 33 2HG1 VAL 33 3.334 -7.322 -4.490 160 HG13 VAL 33 3HG1 VAL 33 4.093 -7.987 -3.024 161 HG21 VAL 33 3HG2 VAL 33 0.842 -9.104 -1.519 162 HG22 VAL 33 1HG2 VAL 33 1.926 -10.111 -2.508 163 HG23 VAL 33 2HG2 VAL 33 2.600 -9.054 -1.245 164 H TYR 34 H TYR 34 3.783 -5.088 -2.531 165 HA TYR 34 HA TYR 34 2.585 -3.589 -4.836 166 HB2 TYR 34 1HB TYR 34 3.000 -2.143 -2.995 167 HB3 TYR 34 2HB TYR 34 4.619 -2.838 -2.738 168 HD1 TYR 34 HD1 TYR 34 2.596 -0.860 -5.177 169 HD2 TYR 34 HD2 TYR 34 6.498 -1.891 -3.799 170 HE1 TYR 34 HE1 TYR 34 3.568 0.872 -6.658 171 HE2 TYR 34 HE2 TYR 34 7.484 -0.168 -5.271 172 HH TYR 34 HH TYR 34 7.082 1.464 -6.809 173 H GLU 35 H GLU 35 3.382 -3.806 -6.763 174 HA GLU 35 HA GLU 35 6.244 -4.668 -7.020 175 HB2 GLU 35 1HB GLU 35 3.875 -5.445 -8.728 176 HB3 GLU 35 2HB GLU 35 5.577 -5.799 -9.108 177 HG2 GLU 35 1HG GLU 35 5.684 -7.207 -6.967 178 HG3 GLU 35 2HG GLU 35 3.974 -6.761 -6.776 179 H ILE 36 H ILE 36 7.432 -3.862 -8.720 180 HA ILE 36 HA ILE 36 6.178 -1.647 -10.298 181 HB ILE 36 HB ILE 36 7.414 -0.635 -8.352 182 HG12 ILE 36 1HG1 ILE 36 8.858 -0.187 -10.945 183 HG13 ILE 36 2HG1 ILE 36 7.206 0.389 -10.620 184 HG21 ILE 36 1HG2 ILE 36 9.877 -0.841 -8.299 185 HG22 ILE 36 2HG2 ILE 36 9.097 -2.423 -8.062 186 HG23 ILE 36 3HG2 ILE 36 9.808 -2.010 -9.639 187 HD11 ILE 36 3HD1 ILE 36 9.693 1.144 -9.047 188 HD12 ILE 36 1HD1 ILE 36 8.861 2.173 -10.236 189 HD13 ILE 36 2HD1 ILE 36 8.042 1.718 -8.722 190 H VAL 37 H VAL 37 6.788 -1.396 -12.314 191 HA VAL 37 HA VAL 37 8.740 -3.449 -13.353 192 HB VAL 37 HB VAL 37 6.281 -2.273 -14.717 193 HG11 VAL 37 1HG1 VAL 37 6.804 -3.909 -16.495 194 HG12 VAL 37 2HG1 VAL 37 8.142 -2.758 -16.270 195 HG13 VAL 37 3HG1 VAL 37 8.265 -4.406 -15.609 196 HG21 VAL 37 3HG2 VAL 37 5.649 -3.840 -12.980 197 HG22 VAL 37 1HG2 VAL 37 5.364 -4.534 -14.592 198 HG23 VAL 37 2HG2 VAL 37 6.773 -5.053 -13.638 199 H LYS 38 H LYS 38 10.499 -2.771 -14.183 200 HA LYS 38 HA LYS 38 10.610 0.063 -15.144 201 HB2 LYS 38 1HB LYS 38 12.163 -0.579 -13.346 202 HB3 LYS 38 2HB LYS 38 12.828 -1.850 -14.398 203 HG2 LYS 38 1HG LYS 38 13.551 -0.106 -16.007 204 HG3 LYS 38 2HG LYS 38 12.944 1.144 -14.895 205 HD2 LYS 38 1HD LYS 38 14.513 0.382 -13.166 206 HD3 LYS 38 2HD LYS 38 15.110 -0.887 -14.261 207 HE2 LYS 38 1HE LYS 38 15.849 0.844 -15.851 208 HE3 LYS 38 2HE LYS 38 15.273 2.105 -14.737 209 HZ1 LYS 38 3HZ LYS 38 17.400 0.145 -14.156 210 HZ2 LYS 38 1HZ LYS 38 17.635 1.737 -14.519 211 HZ3 LYS 38 2HZ LYS 38 16.865 1.314 -13.122 212 H GLU 39 H GLU 39 10.521 0.430 -17.199 213 HA GLU 39 HA GLU 39 11.733 -1.581 -19.061 214 HB2 GLU 39 1HB GLU 39 9.104 -0.122 -19.360 215 HB3 GLU 39 2HB GLU 39 9.916 -1.039 -20.652 216 HG2 GLU 39 1HG GLU 39 9.677 -3.142 -19.200 217 HG3 GLU 39 2HG GLU 39 8.858 -2.061 -18.050 218 H GLY 40 H GLY 40 12.447 -0.787 -21.067 219 HA2 GLY 40 1HA GLY 40 12.937 0.963 -22.608 220 HA3 GLY 40 2HA GLY 40 12.581 2.163 -21.344 221 HA PRO 41 HA PRO 41 17.129 1.452 -21.676 222 HB2 PRO 41 1HB PRO 41 17.745 3.633 -22.738 223 HB3 PRO 41 2HB PRO 41 17.243 2.350 -23.607 224 HG2 PRO 41 1HG PRO 41 15.878 4.501 -23.061 225 HG3 PRO 41 2HG PRO 41 15.890 3.692 -24.477 226 HD2 PRO 41 1HD PRO 41 13.988 3.208 -22.999 227 HD3 PRO 41 2HD PRO 41 14.683 1.977 -23.814 228 H SER 42 H SER 42 18.891 2.575 -20.559 229 HA SER 42 HA SER 42 18.075 3.793 -18.064 230 HB2 SER 42 1HB SER 42 20.286 4.178 -17.652 231 HB3 SER 42 2HB SER 42 20.086 2.563 -18.370 232 HG SER 42 HG SER 42 20.776 3.479 -20.358 233 H HIS 43 H HIS 43 18.478 5.031 -21.295 234 HA HIS 43 HA HIS 43 18.930 7.808 -20.480 235 HB2 HIS 43 1HB HIS 43 18.172 6.531 -23.144 236 HB3 HIS 43 2HB HIS 43 18.451 8.273 -22.917 237 HD2 HIS 43 HD2 HIS 43 20.491 5.232 -24.023 238 HE1 HIS 43 HE1 HIS 43 23.212 8.056 -22.387 239 HE2 HIS 43 HE2 HIS 43 22.902 5.859 -23.798 240 H LYS 44 H LYS 44 16.150 5.873 -21.550 241 HA LYS 44 HA LYS 44 14.399 7.964 -20.323 242 HB2 LYS 44 1HB LYS 44 13.988 6.598 -22.988 243 HB3 LYS 44 2HB LYS 44 12.771 7.579 -22.137 244 HG2 LYS 44 1HG LYS 44 14.276 9.542 -22.295 245 HG3 LYS 44 2HG LYS 44 15.443 8.553 -23.204 246 HD2 LYS 44 1HD LYS 44 13.735 8.163 -24.949 247 HD3 LYS 44 2HD LYS 44 12.595 9.190 -24.047 248 HE2 LYS 44 1HE LYS 44 14.150 11.092 -24.268 249 HE3 LYS 44 2HE LYS 44 15.264 10.063 -25.197 250 HZ1 LYS 44 3HZ LYS 44 12.515 10.771 -25.996 251 HZ2 LYS 44 1HZ LYS 44 13.894 11.414 -26.634 252 HZ3 LYS 44 2HZ LYS 44 13.547 9.816 -26.859 253 H SER 45 H SER 45 14.818 6.227 -18.628 254 HA SER 45 HA SER 45 13.393 3.663 -18.892 255 HB2 SER 45 1HB SER 45 15.284 3.752 -17.583 256 HB3 SER 45 2HB SER 45 14.597 5.043 -16.572 257 HG SER 45 HG SER 45 13.547 2.426 -16.887 258 H LEU 46 H LEU 46 11.286 3.322 -18.593 259 HA LEU 46 HA LEU 46 9.732 5.331 -16.996 260 HB2 LEU 46 1HB LEU 46 8.935 3.446 -19.118 261 HB3 LEU 46 2HB LEU 46 7.726 4.478 -18.321 262 HG LEU 46 HG LEU 46 10.027 5.395 -20.088 263 HD11 LEU 46 1HD1 LEU 46 8.188 6.182 -21.602 264 HD12 LEU 46 2HD1 LEU 46 8.101 4.425 -21.339 265 HD13 LEU 46 3HD1 LEU 46 6.991 5.511 -20.470 266 HD21 LEU 46 3HD2 LEU 46 9.657 6.963 -18.276 267 HD22 LEU 46 1HD2 LEU 46 9.092 7.665 -19.810 268 HD23 LEU 46 2HD2 LEU 46 7.916 7.018 -18.640 269 H PHE 47 H PHE 47 8.284 4.667 -15.482 270 HA PHE 47 HA PHE 47 8.599 1.801 -14.640 271 HB2 PHE 47 1HB PHE 47 8.132 4.305 -12.965 272 HB3 PHE 47 2HB PHE 47 8.105 2.642 -12.335 273 HD1 PHE 47 HD2 PHE 47 10.149 1.322 -12.231 274 HD2 PHE 47 HD1 PHE 47 10.163 5.412 -13.462 275 HE1 PHE 47 HE2 PHE 47 12.587 1.427 -11.842 276 HE2 PHE 47 HE1 PHE 47 12.603 5.521 -13.077 277 HZ PHE 47 HZ PHE 47 13.816 3.528 -12.268 278 H GLN 48 H GLN 48 6.847 0.687 -13.810 279 HA GLN 48 HA GLN 48 4.196 2.051 -14.029 280 HB2 GLN 48 1HB GLN 48 4.597 0.585 -15.997 281 HB3 GLN 48 2HB GLN 48 4.815 -0.785 -14.882 282 HG2 GLN 48 1HG GLN 48 2.228 -0.357 -14.157 283 HG3 GLN 48 2HG GLN 48 2.534 0.925 -15.352 284 HE21 GLN 48 2HE2 GLN 48 0.412 -0.699 -15.759 285 HE22 GLN 48 1HE2 GLN 48 0.720 -1.802 -17.059 286 H SER 49 H SER 49 2.687 1.550 -12.539 287 HA SER 49 HA SER 49 3.745 0.219 -10.058 288 HB2 SER 49 1HB SER 49 3.078 2.406 -9.770 289 HB3 SER 49 2HB SER 49 1.488 2.078 -10.498 290 HG SER 49 HG SER 49 1.130 0.590 -8.788 291 H THR 50 H THR 50 3.024 -1.718 -9.444 292 HA THR 50 HA THR 50 0.297 -2.573 -10.350 293 HB THR 50 HB THR 50 2.743 -4.359 -10.018 294 HG1 THR 50 HG1 THR 50 1.250 -3.915 -12.396 295 HG21 THR 50 1HG2 THR 50 1.246 -6.140 -10.848 296 HG22 THR 50 2HG2 THR 50 0.634 -5.445 -9.327 297 HG23 THR 50 3HG2 THR 50 -0.109 -4.986 -10.879 298 H VAL 51 H VAL 51 -1.071 -2.995 -8.821 299 HA VAL 51 HA VAL 51 -0.000 -3.585 -6.062 300 HB VAL 51 HB VAL 51 -2.516 -2.043 -6.829 301 HG11 VAL 51 1HG1 VAL 51 -2.712 -1.665 -4.394 302 HG12 VAL 51 2HG1 VAL 51 -2.769 -3.401 -4.778 303 HG13 VAL 51 3HG1 VAL 51 -1.279 -2.682 -4.118 304 HG21 VAL 51 3HG2 VAL 51 -0.527 -0.718 -7.226 305 HG22 VAL 51 1HG2 VAL 51 -1.417 -0.114 -5.810 306 HG23 VAL 51 2HG2 VAL 51 0.064 -1.077 -5.585 307 H ILE 52 H ILE 52 -0.418 -5.448 -5.292 308 HA ILE 52 HA ILE 52 -2.854 -6.895 -6.306 309 HB ILE 52 HB ILE 52 -0.229 -8.026 -5.232 310 HG12 ILE 52 1HG1 ILE 52 -1.388 -8.190 -8.000 311 HG13 ILE 52 2HG1 ILE 52 -0.118 -7.054 -7.490 312 HG21 ILE 52 1HG2 ILE 52 -1.202 -10.217 -5.831 313 HG22 ILE 52 2HG2 ILE 52 -2.195 -9.388 -4.609 314 HG23 ILE 52 3HG2 ILE 52 -2.716 -9.415 -6.310 315 HD11 ILE 52 3HD1 ILE 52 0.084 -10.085 -7.442 316 HD12 ILE 52 1HD1 ILE 52 0.846 -9.010 -8.635 317 HD13 ILE 52 2HD1 ILE 52 1.354 -8.949 -6.931 318 H LEU 53 H LEU 53 -4.451 -6.842 -5.002 319 HA LEU 53 HA LEU 53 -3.872 -7.241 -2.088 320 HB2 LEU 53 1HB LEU 53 -4.460 -5.064 -2.457 321 HB3 LEU 53 2HB LEU 53 -5.940 -5.390 -3.390 322 HG LEU 53 HG LEU 53 -6.857 -6.540 -1.327 323 HD11 LEU 53 1HD1 LEU 53 -5.794 -5.912 0.858 324 HD12 LEU 53 2HD1 LEU 53 -4.680 -6.861 -0.154 325 HD13 LEU 53 3HD1 LEU 53 -4.487 -5.095 -0.030 326 HD21 LEU 53 3HD2 LEU 53 -7.588 -4.325 -1.988 327 HD22 LEU 53 1HD2 LEU 53 -7.489 -4.427 -0.214 328 HD23 LEU 53 2HD2 LEU 53 -6.216 -3.584 -1.129 329 H ASP 54 H ASP 54 -4.568 -9.068 -1.350 330 HA ASP 54 HA ASP 54 -5.806 -11.024 -1.144 331 HB2 ASP 54 1HB ASP 54 -7.640 -9.078 -0.755 332 HB3 ASP 54 2HB ASP 54 -8.046 -9.629 -2.399 333 H GLY 55 H GLY 55 -4.325 -10.658 -3.547 334 HA2 GLY 55 1HA GLY 55 -3.981 -12.183 -5.286 335 HA3 GLY 55 2HA GLY 55 -5.600 -12.860 -4.995 336 H VAL 56 H VAL 56 -5.852 -9.537 -5.142 337 HA VAL 56 HA VAL 56 -6.788 -9.661 -7.997 338 HB VAL 56 HB VAL 56 -7.408 -7.643 -5.798 339 HG11 VAL 56 1HG1 VAL 56 -9.112 -6.826 -7.391 340 HG12 VAL 56 2HG1 VAL 56 -7.476 -6.689 -8.078 341 HG13 VAL 56 3HG1 VAL 56 -8.553 -8.009 -8.597 342 HG21 VAL 56 3HG2 VAL 56 -8.403 -9.796 -5.303 343 HG22 VAL 56 1HG2 VAL 56 -9.648 -8.621 -5.787 344 HG23 VAL 56 2HG2 VAL 56 -9.107 -9.869 -6.935 345 H ARG 57 H ARG 57 -5.319 -9.157 -9.384 346 HA ARG 57 HA ARG 57 -3.235 -7.181 -8.680 347 HB2 ARG 57 1HB ARG 57 -2.586 -9.194 -9.784 348 HB3 ARG 57 2HB ARG 57 -3.630 -8.787 -11.167 349 HG2 ARG 57 1HG ARG 57 -2.272 -6.819 -11.646 350 HG3 ARG 57 2HG ARG 57 -1.259 -7.147 -10.219 351 HD2 ARG 57 1HD ARG 57 -1.516 -8.879 -12.657 352 HD3 ARG 57 2HD ARG 57 -0.171 -7.779 -12.273 353 HE ARG 57 HE ARG 57 -0.288 -9.724 -10.152 354 HH11 ARG 57 1HH1 ARG 57 0.293 -9.719 -13.590 355 HH12 ARG 57 2HH1 ARG 57 1.348 -11.109 -13.420 356 HH21 ARG 57 1HH2 ARG 57 0.911 -11.320 -9.941 357 HH22 ARG 57 2HH2 ARG 57 1.701 -12.023 -11.340 358 H TYR 58 H TYR 58 -3.394 -5.118 -8.983 359 HA TYR 58 HA TYR 58 -5.095 -4.151 -11.262 360 HB2 TYR 58 1HB TYR 58 -5.964 -3.630 -8.974 361 HB3 TYR 58 2HB TYR 58 -4.470 -2.707 -8.684 362 HD1 TYR 58 HD2 TYR 58 -4.045 -0.614 -9.929 363 HD2 TYR 58 HD1 TYR 58 -7.715 -2.737 -10.375 364 HE1 TYR 58 HE2 TYR 58 -5.060 1.381 -10.977 365 HE2 TYR 58 HE1 TYR 58 -8.749 -0.746 -11.428 366 HH TYR 58 HH TYR 58 -8.451 1.403 -12.100 367 H ASN 59 H ASN 59 -3.987 -3.401 -12.867 368 HA ASN 59 HA ASN 59 -1.226 -2.386 -12.370 369 HB2 ASN 59 1HB ASN 59 -2.455 -3.056 -15.147 370 HB3 ASN 59 2HB ASN 59 -0.930 -2.395 -14.511 371 HD21 ASN 59 2HD2 ASN 59 -2.716 -5.179 -15.256 372 HD22 ASN 59 1HD2 ASN 59 -1.605 -6.359 -14.641 373 H SER 60 H SER 60 -0.615 -0.370 -12.559 374 HA SER 60 HA SER 60 -2.679 1.726 -13.172 375 HB2 SER 60 1HB SER 60 0.009 1.912 -11.955 376 HB3 SER 60 2HB SER 60 -1.112 3.251 -12.293 377 HG SER 60 HG SER 60 -1.634 1.012 -10.629 378 H LEU 61 H LEU 61 -1.948 3.595 -14.437 379 HA LEU 61 HA LEU 61 -0.967 2.813 -17.028 380 HB2 LEU 61 1HB LEU 61 -2.496 4.533 -16.609 381 HB3 LEU 61 2HB LEU 61 -1.327 5.606 -15.806 382 HG LEU 61 HG LEU 61 0.024 5.490 -17.984 383 HD11 LEU 61 1HD1 LEU 61 -1.328 4.990 -20.037 384 HD12 LEU 61 2HD1 LEU 61 -1.202 3.562 -18.982 385 HD13 LEU 61 3HD1 LEU 61 -2.699 4.525 -19.002 386 HD21 LEU 61 3HD2 LEU 61 -1.169 7.479 -17.278 387 HD22 LEU 61 1HD2 LEU 61 -1.315 7.278 -19.041 388 HD23 LEU 61 2HD2 LEU 61 -2.681 6.857 -17.980 389 HA PRO 62 HA PRO 62 3.274 3.041 -16.192 390 HB2 PRO 62 1HB PRO 62 3.990 2.407 -18.509 391 HB3 PRO 62 2HB PRO 62 3.323 1.341 -17.474 392 HG2 PRO 62 1HG PRO 62 2.177 2.440 -19.540 393 HG3 PRO 62 2HG PRO 62 2.018 0.892 -19.051 394 HD2 PRO 62 1HD PRO 62 0.208 2.430 -18.411 395 HD3 PRO 62 2HD PRO 62 0.721 1.311 -17.339 396 H GLY 63 H GLY 63 5.171 4.254 -16.794 397 HA2 GLY 63 1HA GLY 63 6.016 5.819 -18.580 398 HA3 GLY 63 2HA GLY 63 4.436 6.628 -18.464 399 H PHE 64 H PHE 64 5.650 5.410 -15.502 400 HA PHE 64 HA PHE 64 5.949 8.101 -14.407 401 HB2 PHE 64 1HB PHE 64 6.517 5.351 -13.217 402 HB3 PHE 64 2HB PHE 64 6.554 6.883 -12.316 403 HD1 PHE 64 HD2 PHE 64 4.311 8.336 -12.739 404 HD2 PHE 64 HD1 PHE 64 4.668 4.084 -12.939 405 HE1 PHE 64 HE2 PHE 64 1.897 8.112 -12.252 406 HE2 PHE 64 HE1 PHE 64 2.254 3.856 -12.455 407 HZ PHE 64 HZ PHE 64 0.869 5.871 -12.112 408 H PHE 65 H PHE 65 7.715 9.179 -13.744 409 HA PHE 65 HA PHE 65 10.253 8.262 -15.032 410 HB2 PHE 65 1HB PHE 65 9.368 11.031 -14.108 411 HB3 PHE 65 2HB PHE 65 10.923 10.646 -14.880 412 HD1 PHE 65 HD2 PHE 65 10.900 9.723 -17.224 413 HD2 PHE 65 HD1 PHE 65 7.490 11.507 -15.369 414 HE1 PHE 65 HE2 PHE 65 9.892 10.105 -19.448 415 HE2 PHE 65 HE1 PHE 65 6.477 11.888 -17.593 416 HZ PHE 65 HZ PHE 65 7.680 11.188 -19.632 417 H ASN 66 H ASN 66 8.917 7.790 -12.193 418 HA ASN 66 HA ASN 66 11.512 7.536 -10.869 419 HB2 ASN 66 1HB ASN 66 10.557 10.090 -10.318 420 HB3 ASN 66 2HB ASN 66 9.479 8.934 -9.498 421 HD21 ASN 66 2HD2 ASN 66 10.304 10.312 -7.682 422 HD22 ASN 66 1HD2 ASN 66 11.722 9.750 -6.860 423 H ARG 67 H ARG 67 11.511 6.197 -9.103 424 HA ARG 67 HA ARG 67 9.477 4.182 -9.035 425 HB2 ARG 67 1HB ARG 67 11.657 4.851 -7.116 426 HB3 ARG 67 2HB ARG 67 10.526 3.492 -6.914 427 HG2 ARG 67 1HG ARG 67 11.296 2.505 -9.006 428 HG3 ARG 67 2HG ARG 67 12.381 3.890 -9.282 429 HD2 ARG 67 1HD ARG 67 13.636 3.286 -7.297 430 HD3 ARG 67 2HD ARG 67 12.564 1.888 -7.054 431 HE ARG 67 HE ARG 67 13.808 1.553 -9.633 432 HH11 ARG 67 1HH1 ARG 67 14.815 1.707 -6.298 433 HH12 ARG 67 2HH1 ARG 67 16.159 0.638 -6.648 434 HH21 ARG 67 1HH2 ARG 67 15.348 0.334 -10.051 435 HH22 ARG 67 2HH2 ARG 67 16.465 -0.145 -8.789 436 H LYS 68 H LYS 68 10.024 7.045 -7.011 437 HA LYS 68 HA LYS 68 7.940 6.463 -5.116 438 HB2 LYS 68 1HB LYS 68 9.206 9.046 -6.031 439 HB3 LYS 68 2HB LYS 68 8.012 8.936 -4.716 440 HG2 LYS 68 1HG LYS 68 9.533 7.468 -3.454 441 HG3 LYS 68 2HG LYS 68 10.728 7.576 -4.768 442 HD2 LYS 68 1HD LYS 68 10.873 10.017 -4.430 443 HD3 LYS 68 2HD LYS 68 9.693 9.896 -3.103 444 HE2 LYS 68 1HE LYS 68 11.225 8.448 -1.856 445 HE3 LYS 68 2HE LYS 68 12.401 8.530 -3.187 446 HZ1 LYS 68 3HZ LYS 68 11.483 10.818 -1.567 447 HZ2 LYS 68 1HZ LYS 68 12.944 10.068 -1.425 448 HZ3 LYS 68 2HZ LYS 68 12.573 10.895 -2.803 449 H ALA 69 H ALA 69 7.936 8.052 -8.265 450 HA ALA 69 HA ALA 69 5.275 9.080 -8.119 451 HB1 ALA 69 3HB ALA 69 6.863 8.149 -10.534 452 HB2 ALA 69 1HB ALA 69 5.391 9.145 -10.580 453 HB3 ALA 69 2HB ALA 69 6.876 9.787 -9.838 454 H ALA 70 H ALA 70 6.547 5.928 -9.140 455 HA ALA 70 HA ALA 70 3.959 4.863 -9.860 456 HB1 ALA 70 3HB ALA 70 6.516 3.443 -9.044 457 HB2 ALA 70 1HB ALA 70 5.096 2.679 -9.794 458 HB3 ALA 70 2HB ALA 70 6.043 3.881 -10.703 459 H GLU 71 H GLU 71 5.784 5.092 -6.863 460 HA GLU 71 HA GLU 71 4.040 3.374 -5.316 461 HB2 GLU 71 1HB GLU 71 5.917 5.622 -4.592 462 HB3 GLU 71 2HB GLU 71 4.989 4.692 -3.390 463 HG2 GLU 71 1HG GLU 71 6.206 2.603 -4.065 464 HG3 GLU 71 2HG GLU 71 6.925 3.571 -5.373 465 H GLN 72 H GLN 72 4.041 6.839 -6.059 466 HA GLN 72 HA GLN 72 1.822 7.524 -4.377 467 HB2 GLN 72 1HB GLN 72 2.908 8.669 -6.950 468 HB3 GLN 72 2HB GLN 72 1.511 9.368 -6.097 469 HG2 GLN 72 1HG GLN 72 3.180 9.811 -4.030 470 HG3 GLN 72 2HG GLN 72 4.207 8.901 -5.163 471 HE21 GLN 72 2HE2 GLN 72 4.849 11.436 -4.049 472 HE22 GLN 72 1HE2 GLN 72 4.913 12.587 -5.343 473 H SER 73 H SER 73 1.998 6.222 -7.660 474 HA SER 73 HA SER 73 -0.823 6.310 -8.302 475 HB2 SER 73 1HB SER 73 0.847 6.012 -9.923 476 HB3 SER 73 2HB SER 73 1.267 4.432 -9.225 477 HG SER 73 HG SER 73 -0.667 3.641 -9.838 478 H ALA 74 H ALA 74 1.264 3.810 -6.789 479 HA ALA 74 HA ALA 74 -0.792 1.893 -6.348 480 HB1 ALA 74 3HB ALA 74 1.730 2.415 -4.740 481 HB2 ALA 74 1HB ALA 74 0.731 0.946 -4.659 482 HB3 ALA 74 2HB ALA 74 1.593 1.353 -6.161 483 H ALA 75 H ALA 75 0.232 4.704 -4.472 484 HA ALA 75 HA ALA 75 -1.413 4.172 -2.183 485 HB1 ALA 75 3HB ALA 75 -0.453 6.819 -3.323 486 HB2 ALA 75 1HB ALA 75 -1.135 6.571 -1.699 487 HB3 ALA 75 2HB ALA 75 0.412 5.810 -2.139 488 H GLU 76 H GLU 76 -2.013 5.912 -5.222 489 HA GLU 76 HA GLU 76 -4.704 6.714 -4.568 490 HB2 GLU 76 1HB GLU 76 -3.290 6.209 -7.187 491 HB3 GLU 76 2HB GLU 76 -4.957 6.822 -7.062 492 HG2 GLU 76 1HG GLU 76 -4.107 8.885 -5.901 493 HG3 GLU 76 2HG GLU 76 -2.512 8.099 -5.912 494 H VAL 77 H VAL 77 -3.334 3.777 -5.984 495 HA VAL 77 HA VAL 77 -5.892 2.521 -6.570 496 HB VAL 77 HB VAL 77 -3.135 1.350 -6.013 497 HG11 VAL 77 1HG1 VAL 77 -4.051 -0.732 -6.981 498 HG12 VAL 77 2HG1 VAL 77 -4.927 -0.274 -5.502 499 HG13 VAL 77 3HG1 VAL 77 -5.656 0.027 -7.098 500 HG21 VAL 77 3HG2 VAL 77 -3.207 2.721 -8.010 501 HG22 VAL 77 1HG2 VAL 77 -3.056 0.999 -8.430 502 HG23 VAL 77 2HG2 VAL 77 -4.626 1.821 -8.599 503 H ALA 78 H ALA 78 -3.779 2.497 -3.722 504 HA ALA 78 HA ALA 78 -5.329 0.699 -2.171 505 HB1 ALA 78 3HB ALA 78 -3.741 3.126 -1.267 506 HB2 ALA 78 1HB ALA 78 -4.306 1.804 -0.220 507 HB3 ALA 78 2HB ALA 78 -3.104 1.480 -1.491 508 H LEU 79 H LEU 79 -5.646 4.214 -2.619 509 HA LEU 79 HA LEU 79 -7.861 4.519 -0.802 510 HB2 LEU 79 1HB LEU 79 -6.911 5.967 -3.181 511 HB3 LEU 79 2HB LEU 79 -8.237 6.669 -2.224 512 HG LEU 79 HG LEU 79 -5.411 6.119 -1.236 513 HD11 LEU 79 1HD1 LEU 79 -5.225 8.620 -1.142 514 HD12 LEU 79 2HD1 LEU 79 -5.537 8.057 -2.800 515 HD13 LEU 79 3HD1 LEU 79 -6.859 8.753 -1.833 516 HD21 LEU 79 3HD2 LEU 79 -7.058 5.844 0.521 517 HD22 LEU 79 1HD2 LEU 79 -6.118 7.330 0.798 518 HD23 LEU 79 2HD2 LEU 79 -7.770 7.430 0.143 519 H ARG 80 H ARG 80 -7.664 3.774 -4.258 520 HA ARG 80 HA ARG 80 -10.492 3.834 -4.756 521 HB2 ARG 80 1HB ARG 80 -8.267 2.384 -6.103 522 HB3 ARG 80 2HB ARG 80 -9.969 2.290 -6.612 523 HG2 ARG 80 1HG ARG 80 -10.011 4.686 -7.034 524 HG3 ARG 80 2HG ARG 80 -8.344 4.845 -6.430 525 HD2 ARG 80 1HD ARG 80 -7.554 3.481 -8.268 526 HD3 ARG 80 2HD ARG 80 -9.221 3.336 -8.872 527 HE ARG 80 HE ARG 80 -8.573 6.145 -8.867 528 HH11 ARG 80 1HH1 ARG 80 -7.445 3.256 -10.460 529 HH12 ARG 80 2HH1 ARG 80 -6.996 4.200 -11.866 530 HH21 ARG 80 1HH2 ARG 80 -8.057 7.241 -10.467 531 HH22 ARG 80 2HH2 ARG 80 -7.344 6.474 -11.872 532 H GLU 81 H GLU 81 -8.333 1.280 -3.577 533 HA GLU 81 HA GLU 81 -10.346 -0.788 -3.552 534 HB2 GLU 81 1HB GLU 81 -7.772 -0.375 -2.035 535 HB3 GLU 81 2HB GLU 81 -8.804 -1.812 -1.832 536 HG2 GLU 81 1HG GLU 81 -7.395 -0.983 -4.442 537 HG3 GLU 81 2HG GLU 81 -6.981 -2.261 -3.277 538 H LEU 82 H LEU 82 -9.310 1.609 -1.153 539 HA LEU 82 HA LEU 82 -11.030 0.653 0.951 540 HB2 LEU 82 1HB LEU 82 -9.860 3.253 0.233 541 HB3 LEU 82 2HB LEU 82 -10.733 3.114 1.777 542 HG LEU 82 HG LEU 82 -8.229 1.576 0.985 543 HD11 LEU 82 1HD1 LEU 82 -7.129 2.937 2.784 544 HD12 LEU 82 2HD1 LEU 82 -7.785 3.975 1.497 545 HD13 LEU 82 3HD1 LEU 82 -8.660 3.808 3.038 546 HD21 LEU 82 3HD2 LEU 82 -9.684 0.260 2.409 547 HD22 LEU 82 1HD2 LEU 82 -8.242 0.768 3.320 548 HD23 LEU 82 2HD2 LEU 82 -9.798 1.596 3.578 549 H ALA 83 H ALA 83 -11.508 2.974 -1.683 550 HA ALA 83 HA ALA 83 -14.050 3.932 -0.884 551 HB1 ALA 83 3HB ALA 83 -12.983 3.463 -3.690 552 HB2 ALA 83 1HB ALA 83 -14.382 4.475 -3.265 553 HB3 ALA 83 2HB ALA 83 -12.753 4.932 -2.713 554 H LYS 84 H LYS 84 -13.109 0.907 -2.391 555 HA LYS 84 HA LYS 84 -15.740 0.190 -3.350 556 HB2 LYS 84 1HB LYS 84 -13.295 -1.443 -2.667 557 HB3 LYS 84 2HB LYS 84 -14.778 -2.116 -3.384 558 HG2 LYS 84 1HG LYS 84 -14.484 -0.737 -5.372 559 HG3 LYS 84 2HG LYS 84 -13.056 0.041 -4.649 560 HD2 LYS 84 1HD LYS 84 -11.878 -2.106 -4.615 561 HD3 LYS 84 2HD LYS 84 -13.313 -2.917 -5.287 562 HE2 LYS 84 1HE LYS 84 -13.143 -1.578 -7.324 563 HE3 LYS 84 2HE LYS 84 -11.747 -0.706 -6.652 564 HZ1 LYS 84 3HZ LYS 84 -11.841 -3.594 -7.245 565 HZ2 LYS 84 1HZ LYS 84 -11.067 -2.455 -8.151 566 HZ3 LYS 84 2HZ LYS 84 -10.545 -2.787 -6.622 567 H SER 85 H SER 85 -14.269 0.143 -0.229 568 HA SER 85 HA SER 85 -15.964 -1.969 0.945 569 HB2 SER 85 1HB SER 85 -14.979 -1.513 2.923 570 HB3 SER 85 2HB SER 85 -13.721 -1.474 1.667 571 HG SER 85 HG SER 85 -14.983 0.779 2.843 572 H SER 86 H SER 86 -16.369 1.346 0.089 573 HA SER 86 HA SER 86 -18.114 2.285 2.213 574 HB2 SER 86 1HB SER 86 -16.974 3.771 0.840 575 HB3 SER 86 2HB SER 86 -17.833 3.168 -0.596 576 HG SER 86 HG SER 86 -18.793 5.050 0.288 Start of MODEL 5 1 H PHE 16 H PHE 16 2.617 -2.409 -0.703 2 HA PHE 16 HA PHE 16 0.071 -2.623 1.051 3 HB2 PHE 16 1HB PHE 16 1.118 -3.541 2.956 4 HB3 PHE 16 2HB PHE 16 2.064 -4.226 1.614 5 HD1 PHE 16 HD1 PHE 16 2.036 -1.737 4.324 6 HD2 PHE 16 HD2 PHE 16 4.341 -3.689 1.302 7 HE1 PHE 16 HE1 PHE 16 4.111 -0.853 5.337 8 HE2 PHE 16 HE2 PHE 16 6.417 -2.809 2.314 9 HZ PHE 16 HZ PHE 16 6.302 -1.389 4.331 10 H LYS 17 H LYS 17 2.521 -0.364 0.387 11 HA LYS 17 HA LYS 17 2.454 1.242 2.749 12 HB2 LYS 17 1HB LYS 17 2.932 1.976 -0.142 13 HB3 LYS 17 2HB LYS 17 3.193 3.069 1.238 14 HG2 LYS 17 1HG LYS 17 4.888 1.516 2.138 15 HG3 LYS 17 2HG LYS 17 4.637 0.443 0.741 16 HD2 LYS 17 1HD LYS 17 5.390 2.197 -0.782 17 HD3 LYS 17 2HD LYS 17 5.567 3.329 0.580 18 HE2 LYS 17 1HE LYS 17 7.253 1.806 1.583 19 HE3 LYS 17 2HE LYS 17 7.120 0.759 0.151 20 HZ1 LYS 17 3HZ LYS 17 8.005 3.572 0.140 21 HZ2 LYS 17 1HZ LYS 17 8.989 2.257 -0.015 22 HZ3 LYS 17 2HZ LYS 17 7.882 2.602 -1.188 23 H SER 18 H SER 18 1.645 3.513 2.811 24 HA SER 18 HA SER 18 -0.245 4.975 2.903 25 HB2 SER 18 1HB SER 18 -0.048 4.687 0.471 26 HB3 SER 18 2HB SER 18 -1.369 3.504 0.614 27 HG SER 18 HG SER 18 -1.429 6.195 1.511 28 H ARG 19 H ARG 19 -2.915 4.424 2.379 29 HA ARG 19 HA ARG 19 -3.677 3.355 4.899 30 HB2 ARG 19 1HB ARG 19 -5.280 3.843 2.435 31 HB3 ARG 19 2HB ARG 19 -5.957 3.286 3.983 32 HG2 ARG 19 1HG ARG 19 -5.163 5.321 5.083 33 HG3 ARG 19 2HG ARG 19 -4.428 5.874 3.558 34 HD2 ARG 19 1HD ARG 19 -6.639 5.974 2.552 35 HD3 ARG 19 2HD ARG 19 -7.352 5.473 4.103 36 HE ARG 19 HE ARG 19 -5.962 7.917 4.642 37 HH11 ARG 19 1HH1 ARG 19 -8.549 6.928 2.523 38 HH12 ARG 19 2HH1 ARG 19 -9.255 8.529 2.627 39 HH21 ARG 19 1HH2 ARG 19 -6.753 9.758 4.765 40 HH22 ARG 19 2HH2 ARG 19 -8.232 10.144 3.904 41 H LEU 20 H LEU 20 -3.037 1.767 1.884 42 HA LEU 20 HA LEU 20 -4.582 -0.559 2.071 43 HB2 LEU 20 1HB LEU 20 -1.788 -0.082 1.288 44 HB3 LEU 20 2HB LEU 20 -2.501 -1.677 0.949 45 HG LEU 20 HG LEU 20 -3.478 0.984 -0.160 46 HD11 LEU 20 1HD1 LEU 20 -2.635 0.105 -2.352 47 HD12 LEU 20 2HD1 LEU 20 -1.316 0.256 -1.166 48 HD13 LEU 20 3HD1 LEU 20 -2.019 -1.341 -1.518 49 HD21 LEU 20 3HD2 LEU 20 -5.286 -0.598 0.159 50 HD22 LEU 20 1HD2 LEU 20 -4.952 -0.399 -1.578 51 HD23 LEU 20 2HD2 LEU 20 -4.382 -1.853 -0.723 52 H GLN 21 H GLN 21 -1.622 0.236 3.838 53 HA GLN 21 HA GLN 21 -1.275 -2.347 5.042 54 HB2 GLN 21 1HB GLN 21 0.423 -0.538 4.972 55 HB3 GLN 21 2HB GLN 21 -0.565 0.384 6.130 56 HG2 GLN 21 1HG GLN 21 -0.109 -1.653 7.864 57 HG3 GLN 21 2HG GLN 21 0.707 -2.198 6.380 58 HE21 GLN 21 2HE2 GLN 21 2.130 -2.129 8.691 59 HE22 GLN 21 1HE2 GLN 21 3.269 -0.824 8.667 60 H GLU 22 H GLU 22 -3.090 0.526 6.067 61 HA GLU 22 HA GLU 22 -3.855 -0.575 8.630 62 HB2 GLU 22 1HB GLU 22 -5.048 1.588 6.893 63 HB3 GLU 22 2HB GLU 22 -5.631 1.181 8.525 64 HG2 GLU 22 1HG GLU 22 -3.388 1.853 9.473 65 HG3 GLU 22 2HG GLU 22 -2.881 2.091 7.785 66 H TYR 23 H TYR 23 -5.350 -0.608 5.419 67 HA TYR 23 HA TYR 23 -7.825 -1.813 6.183 68 HB2 TYR 23 1HB TYR 23 -7.547 -0.879 4.002 69 HB3 TYR 23 2HB TYR 23 -6.185 -1.972 3.654 70 HD1 TYR 23 HD1 TYR 23 -9.857 -1.927 4.335 71 HD2 TYR 23 HD2 TYR 23 -6.576 -4.080 2.667 72 HE1 TYR 23 HE1 TYR 23 -11.437 -3.578 3.378 73 HE2 TYR 23 HE2 TYR 23 -8.137 -5.737 1.706 74 HH TYR 23 HH TYR 23 -10.316 -6.340 1.421 75 H ALA 24 H ALA 24 -4.777 -3.333 5.106 76 HA ALA 24 HA ALA 24 -5.684 -6.010 5.330 77 HB1 ALA 24 3HB ALA 24 -2.889 -4.897 5.742 78 HB2 ALA 24 1HB ALA 24 -3.297 -6.604 5.458 79 HB3 ALA 24 2HB ALA 24 -3.602 -5.394 4.191 80 H GLN 25 H GLN 25 -3.987 -3.976 7.727 81 HA GLN 25 HA GLN 25 -3.856 -6.058 9.714 82 HB2 GLN 25 1HB GLN 25 -3.705 -3.045 9.878 83 HB3 GLN 25 2HB GLN 25 -3.469 -4.121 11.275 84 HG2 GLN 25 1HG GLN 25 -1.348 -5.125 9.915 85 HG3 GLN 25 2HG GLN 25 -2.028 -3.939 8.777 86 HE21 GLN 25 2HE2 GLN 25 0.660 -3.973 9.722 87 HE22 GLN 25 1HE2 GLN 25 0.919 -2.526 10.639 88 H LYS 26 H LYS 26 -6.254 -3.592 8.963 89 HA LYS 26 HA LYS 26 -7.778 -3.647 11.334 90 HB2 LYS 26 1HB LYS 26 -8.175 -2.127 9.464 91 HB3 LYS 26 2HB LYS 26 -8.738 -3.493 8.471 92 HG2 LYS 26 1HG LYS 26 -10.635 -3.836 9.969 93 HG3 LYS 26 2HG LYS 26 -10.057 -2.532 11.033 94 HD2 LYS 26 1HD LYS 26 -10.337 -0.909 9.210 95 HD3 LYS 26 2HD LYS 26 -10.895 -2.209 8.131 96 HE2 LYS 26 1HE LYS 26 -12.797 -2.634 9.637 97 HE3 LYS 26 2HE LYS 26 -12.243 -1.321 10.701 98 HZ1 LYS 26 3HZ LYS 26 -13.094 -1.011 7.893 99 HZ2 LYS 26 1HZ LYS 26 -13.984 -0.590 9.217 100 HZ3 LYS 26 2HZ LYS 26 -12.581 0.209 8.879 101 H TYR 27 H TYR 27 -7.636 -6.008 8.722 102 HA TYR 27 HA TYR 27 -9.750 -7.599 10.145 103 HB2 TYR 27 1HB TYR 27 -8.936 -7.647 7.231 104 HB3 TYR 27 2HB TYR 27 -10.199 -8.644 7.995 105 HD1 TYR 27 HD2 TYR 27 -12.184 -7.394 9.071 106 HD2 TYR 27 HD1 TYR 27 -9.492 -5.550 6.325 107 HE1 TYR 27 HE2 TYR 27 -13.858 -5.630 8.631 108 HE2 TYR 27 HE1 TYR 27 -11.158 -3.774 5.872 109 HH TYR 27 HH TYR 27 -14.344 -3.728 7.476 110 H LYS 28 H LYS 28 -6.699 -7.444 10.420 111 HA LYS 28 HA LYS 28 -4.957 -8.950 10.762 112 HB2 LYS 28 1HB LYS 28 -7.251 -10.895 11.066 113 HB3 LYS 28 2HB LYS 28 -5.576 -11.140 11.613 114 HG2 LYS 28 1HG LYS 28 -5.834 -9.213 13.163 115 HG3 LYS 28 2HG LYS 28 -7.534 -9.066 12.657 116 HD2 LYS 28 1HD LYS 28 -7.925 -11.402 13.430 117 HD3 LYS 28 2HD LYS 28 -6.248 -11.455 14.024 118 HE2 LYS 28 1HE LYS 28 -6.710 -9.587 15.538 119 HE3 LYS 28 2HE LYS 28 -8.378 -9.492 14.928 120 HZ1 LYS 28 3HZ LYS 28 -7.200 -11.794 16.348 121 HZ2 LYS 28 1HZ LYS 28 -8.255 -10.705 16.997 122 HZ3 LYS 28 2HZ LYS 28 -8.747 -11.707 15.782 123 H LEU 29 H LEU 29 -5.782 -8.480 8.047 124 HA LEU 29 HA LEU 29 -5.280 -11.134 6.781 125 HB2 LEU 29 1HB LEU 29 -5.943 -8.462 5.726 126 HB3 LEU 29 2HB LEU 29 -5.828 -9.864 4.638 127 HG LEU 29 HG LEU 29 -7.881 -9.421 6.839 128 HD11 LEU 29 1HD1 LEU 29 -9.511 -9.406 4.931 129 HD12 LEU 29 2HD1 LEU 29 -8.301 -8.113 4.759 130 HD13 LEU 29 3HD1 LEU 29 -8.156 -9.600 3.794 131 HD21 LEU 29 3HD2 LEU 29 -7.254 -11.759 6.720 132 HD22 LEU 29 1HD2 LEU 29 -8.896 -11.539 6.072 133 HD23 LEU 29 2HD2 LEU 29 -7.525 -11.773 4.961 134 HA PRO 30 HA PRO 30 -1.169 -10.377 5.745 135 HB2 PRO 30 1HB PRO 30 -1.922 -11.328 3.300 136 HB3 PRO 30 2HB PRO 30 -0.756 -11.834 4.320 137 HG2 PRO 30 1HG PRO 30 -3.271 -12.513 4.360 138 HG3 PRO 30 2HG PRO 30 -1.996 -13.493 4.636 139 HD2 PRO 30 1HD PRO 30 -4.671 -11.520 4.688 140 HD3 PRO 30 2HD PRO 30 -3.721 -12.450 5.633 141 H THR 31 H THR 31 0.175 -8.833 4.883 142 HA THR 31 HA THR 31 -1.196 -6.464 3.960 143 HB THR 31 HB THR 31 1.095 -5.553 3.609 144 HG1 THR 31 HG1 THR 31 2.080 -7.542 2.946 145 HG21 THR 31 1HG2 THR 31 1.846 -5.716 5.956 146 HG22 THR 31 2HG2 THR 31 0.083 -5.494 5.862 147 HG23 THR 31 3HG2 THR 31 0.760 -7.102 6.207 148 HA PRO 32 HA PRO 32 -1.464 -6.888 -0.291 149 HB2 PRO 32 1HB PRO 32 -0.599 -4.299 -0.270 150 HB3 PRO 32 2HB PRO 32 -1.934 -4.963 -0.924 151 HG2 PRO 32 1HG PRO 32 -1.639 -4.142 1.531 152 HG3 PRO 32 2HG PRO 32 -2.966 -3.963 0.600 153 HD2 PRO 32 1HD PRO 32 -0.571 -4.766 2.774 154 HD3 PRO 32 2HD PRO 32 -2.122 -5.072 2.373 155 H VAL 33 H VAL 33 -0.275 -7.306 -2.148 156 HA VAL 33 HA VAL 33 2.697 -7.190 -1.666 157 HB VAL 33 HB VAL 33 1.071 -9.033 -3.467 158 HG11 VAL 33 1HG1 VAL 33 3.230 -10.189 -3.806 159 HG12 VAL 33 2HG1 VAL 33 3.311 -8.503 -4.369 160 HG13 VAL 33 3HG1 VAL 33 4.045 -8.960 -2.813 161 HG21 VAL 33 3HG2 VAL 33 0.750 -9.579 -1.128 162 HG22 VAL 33 1HG2 VAL 33 1.749 -10.811 -1.934 163 HG23 VAL 33 2HG2 VAL 33 2.512 -9.603 -0.872 164 H TYR 34 H TYR 34 3.790 -5.760 -2.669 165 HA TYR 34 HA TYR 34 2.670 -4.685 -5.237 166 HB2 TYR 34 1HB TYR 34 3.733 -2.632 -4.761 167 HB3 TYR 34 2HB TYR 34 2.838 -3.120 -3.301 168 HD1 TYR 34 HD2 TYR 34 4.043 -3.824 -1.283 169 HD2 TYR 34 HD1 TYR 34 6.163 -2.554 -4.759 170 HE1 TYR 34 HE2 TYR 34 6.103 -3.609 0.065 171 HE2 TYR 34 HE1 TYR 34 8.237 -2.334 -3.423 172 HH TYR 34 HH TYR 34 9.195 -2.541 -1.374 173 H GLU 35 H GLU 35 3.918 -4.416 -7.006 174 HA GLU 35 HA GLU 35 6.726 -5.443 -6.848 175 HB2 GLU 35 1HB GLU 35 4.640 -6.137 -8.922 176 HB3 GLU 35 2HB GLU 35 6.373 -6.534 -9.026 177 HG2 GLU 35 1HG GLU 35 6.100 -7.976 -6.932 178 HG3 GLU 35 2HG GLU 35 4.396 -7.471 -6.990 179 H ILE 36 H ILE 36 8.196 -4.579 -8.234 180 HA ILE 36 HA ILE 36 7.275 -2.075 -9.629 181 HB ILE 36 HB ILE 36 9.987 -2.744 -8.393 182 HG12 ILE 36 1HG1 ILE 36 7.978 -0.663 -7.574 183 HG13 ILE 36 2HG1 ILE 36 8.167 -2.255 -6.802 184 HG21 ILE 36 1HG2 ILE 36 10.573 -0.417 -8.991 185 HG22 ILE 36 2HG2 ILE 36 10.178 -1.371 -10.440 186 HG23 ILE 36 3HG2 ILE 36 8.991 -0.222 -9.781 187 HD11 ILE 36 3HD1 ILE 36 10.296 -0.093 -6.962 188 HD12 ILE 36 1HD1 ILE 36 9.334 -0.502 -5.523 189 HD13 ILE 36 2HD1 ILE 36 10.485 -1.685 -6.191 190 H VAL 37 H VAL 37 7.439 -1.892 -11.678 191 HA VAL 37 HA VAL 37 9.316 -3.749 -13.136 192 HB VAL 37 HB VAL 37 6.522 -2.879 -13.990 193 HG11 VAL 37 1HG1 VAL 37 6.917 -4.386 -15.910 194 HG12 VAL 37 2HG1 VAL 37 8.117 -3.071 -15.870 195 HG13 VAL 37 3HG1 VAL 37 8.566 -4.704 -15.320 196 HG21 VAL 37 3HG2 VAL 37 6.420 -4.558 -12.246 197 HG22 VAL 37 1HG2 VAL 37 5.937 -5.245 -13.814 198 HG23 VAL 37 2HG2 VAL 37 7.551 -5.593 -13.150 199 H LYS 38 H LYS 38 10.824 -2.800 -14.167 200 HA LYS 38 HA LYS 38 10.409 0.030 -15.032 201 HB2 LYS 38 1HB LYS 38 12.373 -0.511 -13.638 202 HB3 LYS 38 2HB LYS 38 12.922 -1.642 -14.897 203 HG2 LYS 38 1HG LYS 38 13.066 0.261 -16.494 204 HG3 LYS 38 2HG LYS 38 12.618 1.367 -15.172 205 HD2 LYS 38 1HD LYS 38 14.616 0.673 -13.912 206 HD3 LYS 38 2HD LYS 38 15.061 -0.438 -15.228 207 HE2 LYS 38 1HE LYS 38 15.249 1.462 -16.774 208 HE3 LYS 38 2HE LYS 38 14.797 2.576 -15.462 209 HZ1 LYS 38 3HZ LYS 38 17.203 0.867 -15.510 210 HZ2 LYS 38 1HZ LYS 38 17.177 2.494 -15.780 211 HZ3 LYS 38 2HZ LYS 38 16.785 1.899 -14.292 212 H GLU 39 H GLU 39 10.120 0.589 -17.038 213 HA GLU 39 HA GLU 39 10.781 -1.402 -19.177 214 HB2 GLU 39 1HB GLU 39 8.243 0.209 -18.869 215 HB3 GLU 39 2HB GLU 39 8.700 -0.721 -20.317 216 HG2 GLU 39 1HG GLU 39 8.643 -2.843 -18.880 217 HG3 GLU 39 2HG GLU 39 8.167 -1.749 -17.562 218 H GLY 40 H GLY 40 10.962 -0.526 -21.311 219 HA2 GLY 40 1HA GLY 40 11.139 1.307 -22.830 220 HA3 GLY 40 2HA GLY 40 11.278 2.424 -21.453 221 HA PRO 41 HA PRO 41 15.454 1.398 -23.186 222 HB2 PRO 41 1HB PRO 41 15.928 3.667 -24.151 223 HB3 PRO 41 2HB PRO 41 15.128 2.508 -24.971 224 HG2 PRO 41 1HG PRO 41 14.103 4.635 -23.867 225 HG3 PRO 41 2HG PRO 41 13.683 3.989 -25.304 226 HD2 PRO 41 1HD PRO 41 12.238 3.475 -23.376 227 HD3 PRO 41 2HD PRO 41 12.567 2.313 -24.473 228 H SER 42 H SER 42 17.498 2.066 -22.366 229 HA SER 42 HA SER 42 17.407 2.874 -19.609 230 HB2 SER 42 1HB SER 42 19.690 2.923 -19.646 231 HB3 SER 42 2HB SER 42 19.104 1.521 -20.570 232 HG SER 42 HG SER 42 20.821 2.620 -21.614 233 H HIS 43 H HIS 43 17.532 4.694 -22.614 234 HA HIS 43 HA HIS 43 18.461 7.162 -21.290 235 HB2 HIS 43 1HB HIS 43 17.555 6.562 -24.141 236 HB3 HIS 43 2HB HIS 43 18.101 8.160 -23.577 237 HD2 HIS 43 HD2 HIS 43 19.647 4.998 -25.175 238 HE1 HIS 43 HE1 HIS 43 22.765 7.189 -23.294 239 HE2 HIS 43 HE2 HIS 43 22.126 5.246 -24.946 240 H LYS 44 H LYS 44 15.450 5.684 -22.275 241 HA LYS 44 HA LYS 44 14.015 8.007 -21.053 242 HB2 LYS 44 1HB LYS 44 13.333 6.620 -23.649 243 HB3 LYS 44 2HB LYS 44 12.276 7.764 -22.789 244 HG2 LYS 44 1HG LYS 44 14.004 9.525 -23.067 245 HG3 LYS 44 2HG LYS 44 14.994 8.376 -23.998 246 HD2 LYS 44 1HD LYS 44 13.137 8.149 -25.634 247 HD3 LYS 44 2HD LYS 44 12.219 9.373 -24.725 248 HE2 LYS 44 1HE LYS 44 14.006 11.013 -25.124 249 HE3 LYS 44 2HE LYS 44 14.924 9.791 -26.034 250 HZ1 LYS 44 3HZ LYS 44 12.267 10.841 -26.773 251 HZ2 LYS 44 1HZ LYS 44 13.695 11.249 -27.493 252 HZ3 LYS 44 2HZ LYS 44 13.118 9.708 -27.618 253 H SER 45 H SER 45 14.469 6.044 -19.442 254 HA SER 45 HA SER 45 12.599 3.763 -19.689 255 HB2 SER 45 1HB SER 45 13.477 2.991 -17.732 256 HB3 SER 45 2HB SER 45 14.793 3.520 -18.805 257 HG SER 45 HG SER 45 13.738 4.973 -16.608 258 H LEU 46 H LEU 46 10.792 3.394 -18.448 259 HA LEU 46 HA LEU 46 9.948 5.578 -16.574 260 HB2 LEU 46 1HB LEU 46 8.390 3.831 -18.364 261 HB3 LEU 46 2HB LEU 46 7.549 4.866 -17.186 262 HG LEU 46 HG LEU 46 9.251 5.798 -19.530 263 HD11 LEU 46 1HD1 LEU 46 7.082 6.718 -20.394 264 HD12 LEU 46 2HD1 LEU 46 7.002 4.952 -20.192 265 HD13 LEU 46 3HD1 LEU 46 6.245 6.021 -18.986 266 HD21 LEU 46 3HD2 LEU 46 9.502 7.276 -17.624 267 HD22 LEU 46 1HD2 LEU 46 8.540 8.076 -18.889 268 HD23 LEU 46 2HD2 LEU 46 7.736 7.401 -17.452 269 H PHE 47 H PHE 47 9.015 5.031 -14.667 270 HA PHE 47 HA PHE 47 9.376 2.156 -13.895 271 HB2 PHE 47 1HB PHE 47 9.398 4.707 -12.225 272 HB3 PHE 47 2HB PHE 47 9.457 3.062 -11.552 273 HD1 PHE 47 HD1 PHE 47 11.284 5.647 -13.386 274 HD2 PHE 47 HD2 PHE 47 11.427 1.713 -11.725 275 HE1 PHE 47 HE1 PHE 47 13.748 5.653 -13.589 276 HE2 PHE 47 HE2 PHE 47 13.891 1.717 -11.925 277 HZ PHE 47 HZ PHE 47 15.051 3.687 -12.859 278 H GLN 48 H GLN 48 7.689 0.955 -13.619 279 HA GLN 48 HA GLN 48 5.140 2.280 -12.752 280 HB2 GLN 48 1HB GLN 48 5.506 -0.177 -14.480 281 HB3 GLN 48 2HB GLN 48 3.954 0.492 -13.924 282 HG2 GLN 48 1HG GLN 48 4.589 2.673 -15.432 283 HG3 GLN 48 2HG GLN 48 5.982 1.591 -15.661 284 HE21 GLN 48 2HE2 GLN 48 4.408 2.636 -17.766 285 HE22 GLN 48 1HE2 GLN 48 3.587 1.319 -18.536 286 H SER 49 H SER 49 3.660 0.928 -11.555 287 HA SER 49 HA SER 49 4.969 -1.269 -9.953 288 HB2 SER 49 1HB SER 49 5.565 0.683 -8.817 289 HB3 SER 49 2HB SER 49 3.862 1.192 -8.743 290 HG SER 49 HG SER 49 4.948 -1.186 -7.637 291 H THR 50 H THR 50 3.534 -2.746 -9.177 292 HA THR 50 HA THR 50 0.611 -2.149 -9.488 293 HB THR 50 HB THR 50 0.229 -4.499 -10.093 294 HG1 THR 50 HG1 THR 50 2.321 -5.140 -9.004 295 HG21 THR 50 1HG2 THR 50 1.233 -4.484 -12.349 296 HG22 THR 50 2HG2 THR 50 0.606 -2.875 -11.917 297 HG23 THR 50 3HG2 THR 50 2.354 -3.199 -11.843 298 H VAL 51 H VAL 51 -0.802 -3.153 -8.057 299 HA VAL 51 HA VAL 51 0.463 -4.391 -5.625 300 HB VAL 51 HB VAL 51 -1.608 -2.157 -5.679 301 HG11 VAL 51 1HG1 VAL 51 -1.635 -2.407 -3.220 302 HG12 VAL 51 2HG1 VAL 51 -2.188 -3.897 -4.020 303 HG13 VAL 51 3HG1 VAL 51 -0.542 -3.805 -3.350 304 HG21 VAL 51 3HG2 VAL 51 0.666 -1.354 -5.921 305 HG22 VAL 51 1HG2 VAL 51 0.015 -0.938 -4.318 306 HG23 VAL 51 2HG2 VAL 51 1.167 -2.285 -4.488 307 H ILE 52 H ILE 52 -0.324 -6.221 -5.092 308 HA ILE 52 HA ILE 52 -3.037 -6.975 -6.121 309 HB ILE 52 HB ILE 52 -0.821 -8.677 -4.888 310 HG12 ILE 52 1HG1 ILE 52 -1.766 -8.578 -7.739 311 HG13 ILE 52 2HG1 ILE 52 -0.336 -7.723 -7.117 312 HG21 ILE 52 1HG2 ILE 52 -2.213 -10.585 -5.614 313 HG22 ILE 52 2HG2 ILE 52 -3.086 -9.562 -4.451 314 HG23 ILE 52 3HG2 ILE 52 -3.463 -9.456 -6.186 315 HD11 ILE 52 3HD1 ILE 52 -0.757 -10.732 -7.098 316 HD12 ILE 52 1HD1 ILE 52 0.297 -9.836 -8.213 317 HD13 ILE 52 2HD1 ILE 52 0.674 -9.877 -6.474 318 H LEU 53 H LEU 53 -4.677 -6.608 -4.932 319 HA LEU 53 HA LEU 53 -4.403 -7.122 -1.990 320 HB2 LEU 53 1HB LEU 53 -4.491 -4.873 -2.345 321 HB3 LEU 53 2HB LEU 53 -5.920 -4.866 -3.405 322 HG LEU 53 HG LEU 53 -7.217 -5.836 -1.436 323 HD11 LEU 53 1HD1 LEU 53 -6.240 -5.385 0.831 324 HD12 LEU 53 2HD1 LEU 53 -5.238 -6.534 -0.087 325 HD13 LEU 53 3HD1 LEU 53 -4.737 -4.832 0.056 326 HD21 LEU 53 3HD2 LEU 53 -7.472 -3.534 -2.151 327 HD22 LEU 53 1HD2 LEU 53 -7.541 -3.629 -0.374 328 HD23 LEU 53 2HD2 LEU 53 -6.063 -3.045 -1.179 329 H ASP 54 H ASP 54 -5.564 -8.706 -1.281 330 HA ASP 54 HA ASP 54 -7.196 -10.363 -1.196 331 HB2 ASP 54 1HB ASP 54 -8.949 -8.085 -2.302 332 HB3 ASP 54 2HB ASP 54 -9.405 -9.721 -1.767 333 H GLY 55 H GLY 55 -5.533 -10.091 -3.622 334 HA2 GLY 55 1HA GLY 55 -5.371 -11.740 -5.309 335 HA3 GLY 55 2HA GLY 55 -7.117 -12.047 -5.168 336 H VAL 56 H VAL 56 -6.785 -8.771 -5.205 337 HA VAL 56 HA VAL 56 -7.268 -8.641 -8.176 338 HB VAL 56 HB VAL 56 -8.083 -6.692 -5.979 339 HG11 VAL 56 1HG1 VAL 56 -9.415 -5.641 -7.777 340 HG12 VAL 56 2HG1 VAL 56 -7.680 -5.632 -8.176 341 HG13 VAL 56 3HG1 VAL 56 -8.765 -6.815 -8.945 342 HG21 VAL 56 3HG2 VAL 56 -9.330 -8.760 -5.787 343 HG22 VAL 56 1HG2 VAL 56 -10.368 -7.449 -6.396 344 HG23 VAL 56 2HG2 VAL 56 -9.752 -8.688 -7.514 345 H ARG 57 H ARG 57 -5.832 -7.848 -9.424 346 HA ARG 57 HA ARG 57 -3.550 -6.401 -8.158 347 HB2 ARG 57 1HB ARG 57 -3.143 -8.441 -9.462 348 HB3 ARG 57 2HB ARG 57 -3.689 -7.553 -10.904 349 HG2 ARG 57 1HG ARG 57 -1.877 -5.956 -10.655 350 HG3 ARG 57 2HG ARG 57 -1.366 -6.731 -9.136 351 HD2 ARG 57 1HD ARG 57 -0.866 -8.769 -10.401 352 HD3 ARG 57 2HD ARG 57 -1.263 -7.895 -11.899 353 HE ARG 57 HE ARG 57 0.926 -6.541 -10.487 354 HH11 ARG 57 1HH1 ARG 57 0.265 -9.341 -12.458 355 HH12 ARG 57 2HH1 ARG 57 1.914 -9.320 -13.050 356 HH21 ARG 57 1HH2 ARG 57 2.818 -6.509 -11.150 357 HH22 ARG 57 2HH2 ARG 57 3.372 -7.706 -12.305 358 H TYR 58 H TYR 58 -3.310 -4.328 -8.300 359 HA TYR 58 HA TYR 58 -4.864 -2.869 -10.412 360 HB2 TYR 58 1HB TYR 58 -3.749 -1.866 -7.785 361 HB3 TYR 58 2HB TYR 58 -4.720 -0.938 -8.955 362 HD1 TYR 58 HD2 TYR 58 -7.127 -1.486 -9.270 363 HD2 TYR 58 HD1 TYR 58 -4.800 -3.360 -6.227 364 HE1 TYR 58 HE2 TYR 58 -9.204 -2.223 -8.150 365 HE2 TYR 58 HE1 TYR 58 -6.872 -4.106 -5.092 366 HH TYR 58 HH TYR 58 -10.107 -3.343 -6.385 367 H ASN 59 H ASN 59 -3.953 -1.320 -11.657 368 HA ASN 59 HA ASN 59 -0.959 -1.448 -11.767 369 HB2 ASN 59 1HB ASN 59 -2.786 -0.705 -14.169 370 HB3 ASN 59 2HB ASN 59 -1.045 -0.810 -13.810 371 HD21 ASN 59 2HD2 ASN 59 -3.879 -2.484 -14.707 372 HD22 ASN 59 1HD2 ASN 59 -3.196 -4.073 -14.811 373 H SER 60 H SER 60 0.271 0.282 -11.617 374 HA SER 60 HA SER 60 -0.813 2.884 -10.796 375 HB2 SER 60 1HB SER 60 1.336 3.617 -10.695 376 HB3 SER 60 2HB SER 60 1.248 1.987 -9.991 377 HG SER 60 HG SER 60 2.175 2.640 -12.593 378 H LEU 61 H LEU 61 -0.217 4.879 -11.948 379 HA LEU 61 HA LEU 61 -0.786 4.748 -14.825 380 HB2 LEU 61 1HB LEU 61 0.050 6.900 -12.992 381 HB3 LEU 61 2HB LEU 61 -0.464 7.281 -14.651 382 HG LEU 61 HG LEU 61 -2.186 6.111 -12.432 383 HD11 LEU 61 1HD1 LEU 61 -3.443 8.273 -12.642 384 HD12 LEU 61 2HD1 LEU 61 -1.742 8.554 -12.199 385 HD13 LEU 61 3HD1 LEU 61 -2.279 8.810 -13.876 386 HD21 LEU 61 3HD2 LEU 61 -2.792 5.166 -14.581 387 HD22 LEU 61 1HD2 LEU 61 -4.054 6.296 -14.037 388 HD23 LEU 61 2HD2 LEU 61 -2.898 6.791 -15.298 389 HA PRO 62 HA PRO 62 3.320 4.930 -16.147 390 HB2 PRO 62 1HB PRO 62 2.940 5.544 -18.518 391 HB3 PRO 62 2HB PRO 62 2.367 4.148 -17.908 392 HG2 PRO 62 1HG PRO 62 0.987 6.276 -18.504 393 HG3 PRO 62 2HG PRO 62 0.543 4.728 -18.759 394 HD2 PRO 62 1HD PRO 62 -0.420 5.577 -16.679 395 HD3 PRO 62 2HD PRO 62 0.182 4.062 -16.622 396 H GLY 63 H GLY 63 5.059 6.276 -16.942 397 HA2 GLY 63 1HA GLY 63 5.714 8.390 -17.931 398 HA3 GLY 63 2HA GLY 63 4.269 9.141 -17.214 399 H PHE 64 H PHE 64 5.677 6.975 -15.053 400 HA PHE 64 HA PHE 64 6.776 9.218 -13.449 401 HB2 PHE 64 1HB PHE 64 6.180 6.298 -12.826 402 HB3 PHE 64 2HB PHE 64 6.971 7.406 -11.682 403 HD1 PHE 64 HD2 PHE 64 5.660 9.710 -11.384 404 HD2 PHE 64 HD1 PHE 64 3.948 5.993 -12.609 405 HE1 PHE 64 HE2 PHE 64 3.448 10.469 -10.584 406 HE2 PHE 64 HE1 PHE 64 1.733 6.749 -11.813 407 HZ PHE 64 HZ PHE 64 1.483 8.988 -10.801 408 H PHE 65 H PHE 65 8.822 9.529 -12.894 409 HA PHE 65 HA PHE 65 10.837 7.632 -14.057 410 HB2 PHE 65 1HB PHE 65 11.067 10.605 -13.416 411 HB3 PHE 65 2HB PHE 65 12.401 9.575 -13.980 412 HD1 PHE 65 HD2 PHE 65 12.350 8.624 -16.249 413 HD2 PHE 65 HD1 PHE 65 9.471 11.477 -14.901 414 HE1 PHE 65 HE2 PHE 65 11.743 9.115 -18.595 415 HE2 PHE 65 HE1 PHE 65 8.859 11.969 -17.245 416 HZ PHE 65 HZ PHE 65 9.994 10.787 -19.091 417 H ASN 66 H ASN 66 9.432 7.287 -11.522 418 HA ASN 66 HA ASN 66 11.799 6.894 -9.828 419 HB2 ASN 66 1HB ASN 66 10.844 9.418 -9.288 420 HB3 ASN 66 2HB ASN 66 9.553 8.291 -8.807 421 HD21 ASN 66 2HD2 ASN 66 9.979 9.500 -6.761 422 HD22 ASN 66 1HD2 ASN 66 11.151 8.826 -5.678 423 H ARG 67 H ARG 67 11.636 5.154 -8.643 424 HA ARG 67 HA ARG 67 9.421 3.379 -8.972 425 HB2 ARG 67 1HB ARG 67 11.652 3.368 -6.995 426 HB3 ARG 67 2HB ARG 67 10.414 2.098 -7.130 427 HG2 ARG 67 1HG ARG 67 11.119 1.615 -9.413 428 HG3 ARG 67 2HG ARG 67 12.307 2.938 -9.347 429 HD2 ARG 67 1HD ARG 67 13.500 1.759 -7.592 430 HD3 ARG 67 2HD ARG 67 12.325 0.426 -7.704 431 HE ARG 67 HE ARG 67 13.556 0.668 -10.297 432 HH11 ARG 67 1HH1 ARG 67 14.570 -0.080 -7.046 433 HH12 ARG 67 2HH1 ARG 67 15.842 -1.111 -7.674 434 HH21 ARG 67 1HH2 ARG 67 15.012 -0.501 -11.032 435 HH22 ARG 67 2HH2 ARG 67 16.095 -1.351 -9.946 436 H LYS 68 H LYS 68 10.255 5.607 -6.340 437 HA LYS 68 HA LYS 68 8.156 4.729 -4.570 438 HB2 LYS 68 1HB LYS 68 9.676 7.326 -4.815 439 HB3 LYS 68 2HB LYS 68 8.495 6.985 -3.528 440 HG2 LYS 68 1HG LYS 68 9.869 5.086 -2.769 441 HG3 LYS 68 2HG LYS 68 11.051 5.430 -4.055 442 HD2 LYS 68 1HD LYS 68 11.450 7.664 -3.079 443 HD3 LYS 68 2HD LYS 68 10.287 7.296 -1.782 444 HE2 LYS 68 1HE LYS 68 11.685 5.423 -1.043 445 HE3 LYS 68 2HE LYS 68 12.839 5.757 -2.355 446 HZ1 LYS 68 3HZ LYS 68 12.188 7.590 -0.137 447 HZ2 LYS 68 1HZ LYS 68 13.568 6.696 -0.268 448 HZ3 LYS 68 2HZ LYS 68 13.260 7.900 -1.353 449 H ALA 69 H ALA 69 8.295 7.209 -7.096 450 HA ALA 69 HA ALA 69 5.694 8.290 -6.593 451 HB1 ALA 69 3HB ALA 69 7.265 8.129 -9.187 452 HB2 ALA 69 1HB ALA 69 5.850 9.163 -8.893 453 HB3 ALA 69 2HB ALA 69 7.355 9.437 -7.986 454 H ALA 70 H ALA 70 6.807 5.622 -8.661 455 HA ALA 70 HA ALA 70 4.231 5.008 -9.752 456 HB1 ALA 70 3HB ALA 70 6.619 3.196 -9.261 457 HB2 ALA 70 1HB ALA 70 5.222 2.818 -10.295 458 HB3 ALA 70 2HB ALA 70 6.314 4.155 -10.728 459 H GLU 71 H GLU 71 5.899 3.960 -6.807 460 HA GLU 71 HA GLU 71 3.973 1.990 -6.005 461 HB2 GLU 71 1HB GLU 71 5.903 3.737 -4.484 462 HB3 GLU 71 2HB GLU 71 4.846 2.546 -3.690 463 HG2 GLU 71 1HG GLU 71 5.978 0.694 -4.937 464 HG3 GLU 71 2HG GLU 71 6.819 1.962 -5.857 465 H GLN 72 H GLN 72 4.178 5.483 -5.375 466 HA GLN 72 HA GLN 72 1.890 5.580 -3.639 467 HB2 GLN 72 1HB GLN 72 3.228 7.619 -5.421 468 HB3 GLN 72 2HB GLN 72 1.834 8.001 -4.383 469 HG2 GLN 72 1HG GLN 72 3.404 7.344 -2.292 470 HG3 GLN 72 2HG GLN 72 4.433 6.943 -3.687 471 HE21 GLN 72 2HE2 GLN 72 5.149 8.677 -1.540 472 HE22 GLN 72 1HE2 GLN 72 5.369 10.266 -2.193 473 H SER 73 H SER 73 2.236 5.973 -7.152 474 HA SER 73 HA SER 73 -0.504 6.614 -7.780 475 HB2 SER 73 1HB SER 73 1.212 6.982 -9.296 476 HB3 SER 73 2HB SER 73 1.562 5.241 -9.390 477 HG SER 73 HG SER 73 -1.013 6.254 -9.925 478 H ALA 74 H ALA 74 1.257 3.495 -7.553 479 HA ALA 74 HA ALA 74 -0.939 1.852 -8.333 480 HB1 ALA 74 3HB ALA 74 1.426 1.198 -6.540 481 HB2 ALA 74 1HB ALA 74 0.345 0.012 -7.309 482 HB3 ALA 74 2HB ALA 74 1.383 1.053 -8.313 483 H ALA 75 H ALA 75 0.182 2.892 -5.116 484 HA ALA 75 HA ALA 75 -1.834 1.460 -3.662 485 HB1 ALA 75 3HB ALA 75 -0.316 3.983 -2.920 486 HB2 ALA 75 1HB ALA 75 -1.252 2.965 -1.802 487 HB3 ALA 75 2HB ALA 75 0.202 2.313 -2.594 488 H GLU 76 H GLU 76 -1.750 4.670 -5.138 489 HA GLU 76 HA GLU 76 -4.197 5.637 -3.983 490 HB2 GLU 76 1HB GLU 76 -2.517 7.052 -5.085 491 HB3 GLU 76 2HB GLU 76 -2.916 6.287 -6.642 492 HG2 GLU 76 1HG GLU 76 -4.130 8.432 -6.590 493 HG3 GLU 76 2HG GLU 76 -5.225 7.054 -6.339 494 H VAL 77 H VAL 77 -3.531 3.896 -7.016 495 HA VAL 77 HA VAL 77 -6.286 3.857 -7.918 496 HB VAL 77 HB VAL 77 -3.931 2.017 -8.507 497 HG11 VAL 77 1HG1 VAL 77 -5.293 1.209 -10.406 498 HG12 VAL 77 2HG1 VAL 77 -6.083 0.849 -8.852 499 HG13 VAL 77 3HG1 VAL 77 -6.659 2.205 -9.851 500 HG21 VAL 77 3HG2 VAL 77 -3.596 4.293 -9.266 501 HG22 VAL 77 1HG2 VAL 77 -3.855 3.199 -10.644 502 HG23 VAL 77 2HG2 VAL 77 -5.169 4.267 -10.098 503 H ALA 78 H ALA 78 -4.368 1.512 -6.053 504 HA ALA 78 HA ALA 78 -6.416 -0.434 -5.821 505 HB1 ALA 78 3HB ALA 78 -4.226 0.280 -3.841 506 HB2 ALA 78 1HB ALA 78 -5.181 -1.222 -3.840 507 HB3 ALA 78 2HB ALA 78 -4.084 -0.865 -5.197 508 H LEU 79 H LEU 79 -5.741 2.449 -3.863 509 HA LEU 79 HA LEU 79 -7.767 1.782 -1.875 510 HB2 LEU 79 1HB LEU 79 -6.200 4.160 -2.602 511 HB3 LEU 79 2HB LEU 79 -7.313 4.283 -1.219 512 HG LEU 79 HG LEU 79 -4.947 2.381 -1.443 513 HD11 LEU 79 1HD1 LEU 79 -3.946 3.804 0.366 514 HD12 LEU 79 2HD1 LEU 79 -4.254 4.752 -1.108 515 HD13 LEU 79 3HD1 LEU 79 -5.360 4.879 0.281 516 HD21 LEU 79 3HD2 LEU 79 -6.766 1.434 -0.149 517 HD22 LEU 79 1HD2 LEU 79 -5.418 1.868 0.928 518 HD23 LEU 79 2HD2 LEU 79 -6.863 2.905 0.848 519 H ARG 80 H ARG 80 -7.645 3.765 -4.787 520 HA ARG 80 HA ARG 80 -10.189 5.057 -4.398 521 HB2 ARG 80 1HB ARG 80 -8.538 4.527 -6.814 522 HB3 ARG 80 2HB ARG 80 -10.144 5.291 -6.884 523 HG2 ARG 80 1HG ARG 80 -9.349 7.086 -5.397 524 HG3 ARG 80 2HG ARG 80 -7.738 6.327 -5.353 525 HD2 ARG 80 1HD ARG 80 -7.542 6.672 -7.758 526 HD3 ARG 80 2HD ARG 80 -9.118 7.499 -7.745 527 HE ARG 80 HE ARG 80 -7.315 8.934 -5.972 528 HH11 ARG 80 1HH1 ARG 80 -7.729 8.300 -9.375 529 HH12 ARG 80 2HH1 ARG 80 -6.986 9.841 -9.758 530 HH21 ARG 80 1HH2 ARG 80 -6.456 10.698 -6.394 531 HH22 ARG 80 2HH2 ARG 80 -6.259 11.208 -8.059 532 H GLU 81 H GLU 81 -9.262 2.030 -6.017 533 HA GLU 81 HA GLU 81 -12.026 1.396 -6.732 534 HB2 GLU 81 1HB GLU 81 -9.486 -0.235 -6.632 535 HB3 GLU 81 2HB GLU 81 -11.059 -0.864 -7.177 536 HG2 GLU 81 1HG GLU 81 -9.461 1.385 -8.546 537 HG3 GLU 81 2HG GLU 81 -9.677 -0.317 -9.019 538 H LEU 82 H LEU 82 -9.878 0.700 -4.031 539 HA LEU 82 HA LEU 82 -11.496 -1.300 -2.778 540 HB2 LEU 82 1HB LEU 82 -9.305 -0.882 -2.215 541 HB3 LEU 82 2HB LEU 82 -9.562 0.763 -1.591 542 HG LEU 82 HG LEU 82 -11.072 -0.227 0.165 543 HD11 LEU 82 1HD1 LEU 82 -10.843 -2.686 0.606 544 HD12 LEU 82 2HD1 LEU 82 -11.548 -2.380 -0.998 545 HD13 LEU 82 3HD1 LEU 82 -9.835 -2.839 -0.850 546 HD21 LEU 82 3HD2 LEU 82 -8.793 0.416 0.686 547 HD22 LEU 82 1HD2 LEU 82 -9.231 -1.054 1.588 548 HD23 LEU 82 2HD2 LEU 82 -8.191 -1.170 0.147 549 H ALA 83 H ALA 83 -11.506 2.247 -2.464 550 HA ALA 83 HA ALA 83 -13.537 2.409 -0.497 551 HB1 ALA 83 3HB ALA 83 -12.937 4.319 -2.779 552 HB2 ALA 83 1HB ALA 83 -13.904 4.696 -1.336 553 HB3 ALA 83 2HB ALA 83 -12.170 4.330 -1.173 554 H LYS 84 H LYS 84 -13.735 1.861 -3.962 555 HA LYS 84 HA LYS 84 -16.541 2.529 -4.210 556 HB2 LYS 84 1HB LYS 84 -14.679 0.853 -5.897 557 HB3 LYS 84 2HB LYS 84 -16.359 1.241 -6.341 558 HG2 LYS 84 1HG LYS 84 -15.816 3.628 -6.383 559 HG3 LYS 84 2HG LYS 84 -14.145 3.271 -5.885 560 HD2 LYS 84 1HD LYS 84 -13.780 2.001 -7.946 561 HD3 LYS 84 2HD LYS 84 -15.465 2.292 -8.440 562 HE2 LYS 84 1HE LYS 84 -15.043 4.705 -8.502 563 HE3 LYS 84 2HE LYS 84 -13.365 4.433 -7.979 564 HZ1 LYS 84 3HZ LYS 84 -14.558 3.457 -10.495 565 HZ2 LYS 84 1HZ LYS 84 -13.520 4.732 -10.357 566 HZ3 LYS 84 2HZ LYS 84 -13.001 3.204 -10.012 567 H SER 85 H SER 85 -14.878 -0.201 -2.961 568 HA SER 85 HA SER 85 -16.942 -2.231 -3.471 569 HB2 SER 85 1HB SER 85 -15.731 -3.636 -2.195 570 HB3 SER 85 2HB SER 85 -14.592 -2.692 -3.182 571 HG SER 85 HG SER 85 -13.913 -2.908 -1.006 572 H SER 86 H SER 86 -16.549 0.402 -1.250 573 HA SER 86 HA SER 86 -17.964 -0.665 1.069 574 HB2 SER 86 1HB SER 86 -16.469 1.090 1.301 575 HB3 SER 86 2HB SER 86 -17.431 2.115 0.211 576 HG SER 86 HG SER 86 -17.885 2.498 2.422 Start of MODEL 6 1 H PHE 16 H PHE 16 -0.827 2.528 -1.354 2 HA PHE 16 HA PHE 16 -2.260 0.270 0.229 3 HB2 PHE 16 1HB PHE 16 0.071 -0.346 -1.635 4 HB3 PHE 16 2HB PHE 16 -0.711 -1.546 -0.581 5 HD1 PHE 16 HD2 PHE 16 -3.093 -2.125 -0.945 6 HD2 PHE 16 HD1 PHE 16 -0.859 0.273 -3.684 7 HE1 PHE 16 HE2 PHE 16 -4.760 -2.592 -2.710 8 HE2 PHE 16 HE1 PHE 16 -2.525 -0.189 -5.451 9 HZ PHE 16 HZ PHE 16 -4.477 -1.622 -4.963 10 H LYS 17 H LYS 17 0.791 1.956 0.126 11 HA LYS 17 HA LYS 17 2.093 0.481 2.234 12 HB2 LYS 17 1HB LYS 17 2.432 3.330 1.286 13 HB3 LYS 17 2HB LYS 17 3.511 2.495 2.428 14 HG2 LYS 17 1HG LYS 17 2.983 1.554 -0.409 15 HG3 LYS 17 2HG LYS 17 4.352 2.594 0.054 16 HD2 LYS 17 1HD LYS 17 5.084 0.845 1.669 17 HD3 LYS 17 2HD LYS 17 3.768 -0.202 1.086 18 HE2 LYS 17 1HE LYS 17 4.729 -0.067 -1.204 19 HE3 LYS 17 2HE LYS 17 6.088 0.875 -0.545 20 HZ1 LYS 17 3HZ LYS 17 5.381 -1.885 0.224 21 HZ2 LYS 17 1HZ LYS 17 6.637 -1.454 -0.754 22 HZ3 LYS 17 2HZ LYS 17 6.641 -1.012 0.836 23 H SER 18 H SER 18 2.334 0.848 4.388 24 HA SER 18 HA SER 18 1.907 1.806 6.535 25 HB2 SER 18 1HB SER 18 2.575 3.808 5.399 26 HB3 SER 18 2HB SER 18 0.863 4.128 5.037 27 HG SER 18 HG SER 18 1.567 5.139 6.968 28 H ARG 19 H ARG 19 -0.557 3.863 6.168 29 HA ARG 19 HA ARG 19 -2.244 2.246 7.811 30 HB2 ARG 19 1HB ARG 19 -2.768 4.801 6.370 31 HB3 ARG 19 2HB ARG 19 -3.947 3.985 7.423 32 HG2 ARG 19 1HG ARG 19 -2.433 4.195 9.324 33 HG3 ARG 19 2HG ARG 19 -1.198 4.939 8.280 34 HD2 ARG 19 1HD ARG 19 -2.673 6.822 7.892 35 HD3 ARG 19 2HD ARG 19 -3.891 6.080 8.955 36 HE ARG 19 HE ARG 19 -1.540 6.479 10.562 37 HH11 ARG 19 1HH1 ARG 19 -3.773 8.480 8.784 38 HH12 ARG 19 2HH1 ARG 19 -3.519 9.787 9.924 39 HH21 ARG 19 1HH2 ARG 19 -1.231 7.969 11.871 40 HH22 ARG 19 2HH2 ARG 19 -2.068 9.497 11.684 41 H LEU 20 H LEU 20 -2.110 2.676 4.346 42 HA LEU 20 HA LEU 20 -4.754 1.613 3.815 43 HB2 LEU 20 1HB LEU 20 -2.257 1.876 2.282 44 HB3 LEU 20 2HB LEU 20 -3.715 1.293 1.447 45 HG LEU 20 HG LEU 20 -3.490 3.991 2.829 46 HD11 LEU 20 1HD1 LEU 20 -3.342 4.949 0.516 47 HD12 LEU 20 2HD1 LEU 20 -1.964 3.877 0.861 48 HD13 LEU 20 3HD1 LEU 20 -3.311 3.299 -0.149 49 HD21 LEU 20 3HD2 LEU 20 -5.753 3.133 2.687 50 HD22 LEU 20 1HD2 LEU 20 -5.556 4.511 1.578 51 HD23 LEU 20 2HD2 LEU 20 -5.567 2.848 0.939 52 H GLN 21 H GLN 21 -1.561 0.186 4.227 53 HA GLN 21 HA GLN 21 -2.422 -2.507 3.552 54 HB2 GLN 21 1HB GLN 21 -0.066 -1.781 3.565 55 HB3 GLN 21 2HB GLN 21 -0.172 -1.530 5.324 56 HG2 GLN 21 1HG GLN 21 -0.600 -4.207 5.491 57 HG3 GLN 21 2HG GLN 21 -0.472 -3.926 3.738 58 HE21 GLN 21 2HE2 GLN 21 1.132 -5.789 4.974 59 HE22 GLN 21 1HE2 GLN 21 2.771 -5.229 4.999 60 H GLU 22 H GLU 22 -2.213 -0.650 6.571 61 HA GLU 22 HA GLU 22 -3.091 -2.768 8.297 62 HB2 GLU 22 1HB GLU 22 -3.362 0.235 8.467 63 HB3 GLU 22 2HB GLU 22 -3.838 -0.886 9.766 64 HG2 GLU 22 1HG GLU 22 -1.437 -1.636 9.978 65 HG3 GLU 22 2HG GLU 22 -1.112 -0.595 8.573 66 H TYR 23 H TYR 23 -4.840 -0.502 6.240 67 HA TYR 23 HA TYR 23 -7.475 -1.189 7.190 68 HB2 TYR 23 1HB TYR 23 -6.516 -0.221 4.490 69 HB3 TYR 23 2HB TYR 23 -8.218 -0.330 5.001 70 HD1 TYR 23 HD1 TYR 23 -7.056 0.538 7.958 71 HD2 TYR 23 HD2 TYR 23 -7.136 2.237 4.048 72 HE1 TYR 23 HE1 TYR 23 -6.904 2.804 8.948 73 HE2 TYR 23 HE2 TYR 23 -6.985 4.505 5.019 74 HH TYR 23 HH TYR 23 -6.844 5.741 6.926 75 H ALA 24 H ALA 24 -5.426 -2.515 4.601 76 HA ALA 24 HA ALA 24 -7.284 -4.473 3.696 77 HB1 ALA 24 3HB ALA 24 -4.250 -4.589 3.777 78 HB2 ALA 24 1HB ALA 24 -5.307 -5.650 2.817 79 HB3 ALA 24 2HB ALA 24 -5.239 -3.907 2.464 80 H GLN 25 H GLN 25 -4.953 -4.510 6.364 81 HA GLN 25 HA GLN 25 -5.406 -7.264 7.096 82 HB2 GLN 25 1HB GLN 25 -4.462 -4.847 8.647 83 HB3 GLN 25 2HB GLN 25 -4.543 -6.490 9.328 84 HG2 GLN 25 1HG GLN 25 -2.728 -7.189 7.460 85 HG3 GLN 25 2HG GLN 25 -3.086 -5.499 7.036 86 HE21 GLN 25 2HE2 GLN 25 -0.490 -6.517 7.532 87 HE22 GLN 25 1HE2 GLN 25 0.127 -5.752 8.959 88 H LYS 26 H LYS 26 -6.911 -4.211 8.106 89 HA LYS 26 HA LYS 26 -8.726 -5.407 9.997 90 HB2 LYS 26 1HB LYS 26 -8.871 -2.888 8.339 91 HB3 LYS 26 2HB LYS 26 -10.076 -3.345 9.566 92 HG2 LYS 26 1HG LYS 26 -8.392 -3.242 11.319 93 HG3 LYS 26 2HG LYS 26 -7.123 -2.907 10.117 94 HD2 LYS 26 1HD LYS 26 -8.243 -0.800 9.515 95 HD3 LYS 26 2HD LYS 26 -9.516 -1.134 10.713 96 HE2 LYS 26 1HE LYS 26 -7.834 -1.108 12.507 97 HE3 LYS 26 2HE LYS 26 -6.564 -0.769 11.310 98 HZ1 LYS 26 3HZ LYS 26 -8.860 0.981 11.915 99 HZ2 LYS 26 1HZ LYS 26 -7.307 1.232 12.409 100 HZ3 LYS 26 2HZ LYS 26 -7.682 1.296 10.804 101 H TYR 27 H TYR 27 -8.583 -5.505 6.580 102 HA TYR 27 HA TYR 27 -11.449 -6.358 6.435 103 HB2 TYR 27 1HB TYR 27 -9.446 -5.660 4.278 104 HB3 TYR 27 2HB TYR 27 -11.113 -6.217 3.997 105 HD1 TYR 27 HD1 TYR 27 -11.802 -4.467 6.708 106 HD2 TYR 27 HD2 TYR 27 -10.220 -3.674 2.829 107 HE1 TYR 27 HE1 TYR 27 -12.610 -2.131 6.864 108 HE2 TYR 27 HE2 TYR 27 -11.021 -1.340 2.967 109 HH TYR 27 HH TYR 27 -12.760 -0.112 5.836 110 H LYS 28 H LYS 28 -8.817 -7.806 7.344 111 HA LYS 28 HA LYS 28 -8.076 -10.009 7.290 112 HB2 LYS 28 1HB LYS 28 -10.821 -10.500 6.129 113 HB3 LYS 28 2HB LYS 28 -9.733 -11.721 6.830 114 HG2 LYS 28 1HG LYS 28 -9.894 -10.553 9.021 115 HG3 LYS 28 2HG LYS 28 -11.064 -9.422 8.302 116 HD2 LYS 28 1HD LYS 28 -12.535 -11.358 7.755 117 HD3 LYS 28 2HD LYS 28 -11.388 -12.427 8.596 118 HE2 LYS 28 1HE LYS 28 -11.738 -11.182 10.678 119 HE3 LYS 28 2HE LYS 28 -12.864 -10.088 9.844 120 HZ1 LYS 28 3HZ LYS 28 -13.251 -12.989 10.214 121 HZ2 LYS 28 1HZ LYS 28 -14.026 -11.803 11.058 122 HZ3 LYS 28 2HZ LYS 28 -14.295 -11.974 9.440 123 H LEU 29 H LEU 29 -7.497 -8.314 5.029 124 HA LEU 29 HA LEU 29 -7.461 -10.256 2.780 125 HB2 LEU 29 1HB LEU 29 -6.416 -7.519 3.111 126 HB3 LEU 29 2HB LEU 29 -6.419 -8.316 1.521 127 HG LEU 29 HG LEU 29 -8.843 -7.445 3.142 128 HD11 LEU 29 1HD1 LEU 29 -9.253 -5.934 1.182 129 HD12 LEU 29 2HD1 LEU 29 -7.678 -5.598 1.937 130 HD13 LEU 29 3HD1 LEU 29 -7.759 -6.534 0.426 131 HD21 LEU 29 3HD2 LEU 29 -9.286 -9.554 2.032 132 HD22 LEU 29 1HD2 LEU 29 -10.190 -8.247 1.232 133 HD23 LEU 29 2HD2 LEU 29 -8.711 -8.894 0.483 134 HA PRO 30 HA PRO 30 -3.476 -11.623 3.438 135 HB2 PRO 30 1HB PRO 30 -2.714 -11.978 1.074 136 HB3 PRO 30 2HB PRO 30 -3.898 -12.863 1.760 137 HG2 PRO 30 1HG PRO 30 -4.184 -10.964 -0.002 138 HG3 PRO 30 2HG PRO 30 -5.013 -12.368 0.056 139 HD2 PRO 30 1HD PRO 30 -6.135 -10.378 0.973 140 HD3 PRO 30 2HD PRO 30 -6.287 -11.810 1.739 141 H THR 31 H THR 31 -1.214 -11.196 3.377 142 HA THR 31 HA THR 31 -0.617 -8.408 3.407 143 HB THR 31 HB THR 31 1.307 -10.738 3.011 144 HG1 THR 31 HG1 THR 31 0.027 -10.887 4.935 145 HG21 THR 31 1HG2 THR 31 2.970 -9.192 3.982 146 HG22 THR 31 2HG2 THR 31 2.285 -8.532 2.478 147 HG23 THR 31 3HG2 THR 31 1.738 -7.910 4.051 148 HA PRO 32 HA PRO 32 -0.583 -7.520 -0.816 149 HB2 PRO 32 1HB PRO 32 0.677 -5.328 0.218 150 HB3 PRO 32 2HB PRO 32 -0.614 -5.440 -0.770 151 HG2 PRO 32 1HG PRO 32 -0.621 -5.566 1.833 152 HG3 PRO 32 2HG PRO 32 -1.721 -4.812 0.895 153 HD2 PRO 32 1HD PRO 32 0.144 -6.771 2.872 154 HD3 PRO 32 2HD PRO 32 -1.352 -6.596 2.247 155 H VAL 33 H VAL 33 0.731 -8.013 -2.471 156 HA VAL 33 HA VAL 33 3.662 -8.186 -1.803 157 HB VAL 33 HB VAL 33 2.073 -9.453 -4.074 158 HG11 VAL 33 1HG1 VAL 33 4.170 -10.685 -4.513 159 HG12 VAL 33 2HG1 VAL 33 4.413 -8.930 -4.677 160 HG13 VAL 33 3HG1 VAL 33 4.979 -9.774 -3.215 161 HG21 VAL 33 3HG2 VAL 33 1.516 -10.464 -1.944 162 HG22 VAL 33 1HG2 VAL 33 2.496 -11.572 -2.934 163 HG23 VAL 33 2HG2 VAL 33 3.243 -10.691 -1.579 164 H TYR 34 H TYR 34 4.947 -6.698 -2.421 165 HA TYR 34 HA TYR 34 3.992 -4.817 -4.537 166 HB2 TYR 34 1HB TYR 34 6.210 -4.560 -2.495 167 HB3 TYR 34 2HB TYR 34 5.706 -3.314 -3.663 168 HD1 TYR 34 HD1 TYR 34 4.727 -5.152 -0.603 169 HD2 TYR 34 HD2 TYR 34 3.736 -1.980 -3.275 170 HE1 TYR 34 HE1 TYR 34 3.055 -4.316 1.023 171 HE2 TYR 34 HE2 TYR 34 2.063 -1.132 -1.665 172 HH TYR 34 HH TYR 34 1.485 -2.737 1.474 173 H GLU 35 H GLU 35 4.758 -4.868 -6.483 174 HA GLU 35 HA GLU 35 7.519 -5.971 -6.893 175 HB2 GLU 35 1HB GLU 35 5.070 -6.300 -8.633 176 HB3 GLU 35 2HB GLU 35 6.724 -6.775 -9.085 177 HG2 GLU 35 1HG GLU 35 6.701 -8.425 -7.118 178 HG3 GLU 35 2HG GLU 35 5.042 -7.840 -6.856 179 H ILE 36 H ILE 36 8.833 -5.003 -8.337 180 HA ILE 36 HA ILE 36 7.913 -2.295 -9.261 181 HB ILE 36 HB ILE 36 10.719 -3.382 -8.742 182 HG12 ILE 36 1HG1 ILE 36 9.212 -1.224 -7.292 183 HG13 ILE 36 2HG1 ILE 36 9.324 -2.916 -6.753 184 HG21 ILE 36 1HG2 ILE 36 11.458 -1.069 -9.206 185 HG22 ILE 36 2HG2 ILE 36 10.657 -1.782 -10.626 186 HG23 ILE 36 3HG2 ILE 36 9.784 -0.615 -9.606 187 HD11 ILE 36 3HD1 ILE 36 11.662 -1.011 -7.132 188 HD12 ILE 36 1HD1 ILE 36 10.956 -1.497 -5.573 189 HD13 ILE 36 2HD1 ILE 36 11.774 -2.704 -6.595 190 H VAL 37 H VAL 37 7.833 -1.725 -11.265 191 HA VAL 37 HA VAL 37 8.835 -3.708 -13.307 192 HB VAL 37 HB VAL 37 6.365 -1.929 -13.435 193 HG11 VAL 37 1HG1 VAL 37 5.938 -3.110 -15.564 194 HG12 VAL 37 2HG1 VAL 37 7.482 -2.228 -15.619 195 HG13 VAL 37 3HG1 VAL 37 7.474 -3.991 -15.382 196 HG21 VAL 37 3HG2 VAL 37 6.021 -3.794 -11.929 197 HG22 VAL 37 1HG2 VAL 37 5.094 -4.015 -13.431 198 HG23 VAL 37 2HG2 VAL 37 6.599 -4.930 -13.172 199 H LYS 38 H LYS 38 10.429 -3.053 -14.432 200 HA LYS 38 HA LYS 38 10.492 -0.158 -15.221 201 HB2 LYS 38 1HB LYS 38 12.203 -0.686 -13.532 202 HB3 LYS 38 2HB LYS 38 12.834 -1.964 -14.597 203 HG2 LYS 38 1HG LYS 38 13.442 -0.298 -16.279 204 HG3 LYS 38 2HG LYS 38 12.748 0.996 -15.274 205 HD2 LYS 38 1HD LYS 38 14.387 0.476 -13.496 206 HD3 LYS 38 2HD LYS 38 15.096 -0.783 -14.534 207 HE2 LYS 38 1HE LYS 38 15.685 0.896 -16.208 208 HE3 LYS 38 2HE LYS 38 14.928 2.166 -15.220 209 HZ1 LYS 38 3HZ LYS 38 17.261 0.544 -14.429 210 HZ2 LYS 38 1HZ LYS 38 17.311 2.115 -14.928 211 HZ3 LYS 38 2HZ LYS 38 16.558 1.722 -13.513 212 H GLU 39 H GLU 39 10.154 0.100 -17.268 213 HA GLU 39 HA GLU 39 11.323 -1.882 -19.178 214 HB2 GLU 39 1HB GLU 39 8.505 -0.791 -19.204 215 HB3 GLU 39 2HB GLU 39 9.264 -1.723 -20.518 216 HG2 GLU 39 1HG GLU 39 9.469 -3.700 -18.908 217 HG3 GLU 39 2HG GLU 39 8.698 -2.620 -17.724 218 H GLY 40 H GLY 40 11.531 -1.129 -21.349 219 HA2 GLY 40 1HA GLY 40 11.480 0.653 -22.971 220 HA3 GLY 40 2HA GLY 40 11.422 1.834 -21.642 221 HA PRO 41 HA PRO 41 15.705 1.352 -23.426 222 HB2 PRO 41 1HB PRO 41 15.289 4.049 -23.497 223 HB3 PRO 41 2HB PRO 41 15.978 3.055 -24.588 224 HG2 PRO 41 1HG PRO 41 13.438 3.578 -24.334 225 HG3 PRO 41 2HG PRO 41 14.259 3.406 -25.732 226 HD2 PRO 41 1HD PRO 41 12.365 3.188 -23.013 227 HD3 PRO 41 2HD PRO 41 12.747 2.415 -24.398 228 H SER 42 H SER 42 17.709 1.845 -22.428 229 HA SER 42 HA SER 42 17.537 1.831 -19.542 230 HB2 SER 42 1HB SER 42 19.819 1.848 -19.511 231 HB3 SER 42 2HB SER 42 19.249 0.762 -20.798 232 HG SER 42 HG SER 42 20.224 3.403 -21.147 233 H HIS 43 H HIS 43 17.487 4.393 -21.881 234 HA HIS 43 HA HIS 43 18.163 6.385 -19.743 235 HB2 HIS 43 1HB HIS 43 18.375 6.646 -22.777 236 HB3 HIS 43 2HB HIS 43 18.719 7.938 -21.601 237 HD2 HIS 43 HD2 HIS 43 20.686 5.234 -23.510 238 HE1 HIS 43 HE1 HIS 43 22.933 6.287 -20.062 239 HE2 HIS 43 HE2 HIS 43 22.912 5.055 -22.384 240 H LYS 44 H LYS 44 15.669 5.071 -21.598 241 HA LYS 44 HA LYS 44 13.944 7.424 -20.903 242 HB2 LYS 44 1HB LYS 44 13.890 5.695 -23.378 243 HB3 LYS 44 2HB LYS 44 12.582 6.802 -22.898 244 HG2 LYS 44 1HG LYS 44 14.142 8.706 -23.059 245 HG3 LYS 44 2HG LYS 44 15.439 7.595 -23.559 246 HD2 LYS 44 1HD LYS 44 14.023 6.922 -25.514 247 HD3 LYS 44 2HD LYS 44 12.857 8.182 -25.044 248 HE2 LYS 44 1HE LYS 44 14.583 9.898 -25.305 249 HE3 LYS 44 2HE LYS 44 15.775 8.650 -25.734 250 HZ1 LYS 44 3HZ LYS 44 13.339 9.296 -27.270 251 HZ2 LYS 44 1HZ LYS 44 14.876 9.730 -27.683 252 HZ3 LYS 44 2HZ LYS 44 14.444 8.138 -27.669 253 H SER 45 H SER 45 14.451 5.197 -19.239 254 HA SER 45 HA SER 45 12.440 3.090 -19.574 255 HB2 SER 45 1HB SER 45 13.121 2.286 -17.552 256 HB3 SER 45 2HB SER 45 14.542 2.747 -18.515 257 HG SER 45 HG SER 45 14.637 4.667 -17.262 258 H LEU 46 H LEU 46 10.501 2.839 -18.540 259 HA LEU 46 HA LEU 46 9.520 5.148 -16.899 260 HB2 LEU 46 1HB LEU 46 8.135 2.989 -18.353 261 HB3 LEU 46 2HB LEU 46 7.211 4.214 -17.453 262 HG LEU 46 HG LEU 46 8.937 4.671 -19.918 263 HD11 LEU 46 1HD1 LEU 46 6.759 5.320 -20.980 264 HD12 LEU 46 2HD1 LEU 46 6.717 3.641 -20.394 265 HD13 LEU 46 3HD1 LEU 46 5.920 4.929 -19.461 266 HD21 LEU 46 3HD2 LEU 46 9.126 6.538 -18.383 267 HD22 LEU 46 1HD2 LEU 46 8.162 7.014 -19.801 268 HD23 LEU 46 2HD2 LEU 46 7.354 6.652 -18.256 269 H PHE 47 H PHE 47 8.702 4.877 -14.913 270 HA PHE 47 HA PHE 47 9.292 2.209 -13.680 271 HB2 PHE 47 1HB PHE 47 9.221 5.013 -12.487 272 HB3 PHE 47 2HB PHE 47 9.417 3.522 -11.538 273 HD1 PHE 47 HD2 PHE 47 11.455 2.250 -11.617 274 HD2 PHE 47 HD1 PHE 47 10.992 5.856 -13.861 275 HE1 PHE 47 HE2 PHE 47 13.903 2.353 -11.953 276 HE2 PHE 47 HE1 PHE 47 13.438 5.961 -14.201 277 HZ PHE 47 HZ PHE 47 14.893 4.209 -13.247 278 H GLN 48 H GLN 48 7.649 0.970 -13.310 279 HA GLN 48 HA GLN 48 5.123 2.252 -12.325 280 HB2 GLN 48 1HB GLN 48 5.545 -0.061 -14.215 281 HB3 GLN 48 2HB GLN 48 4.027 0.173 -13.316 282 HG2 GLN 48 1HG GLN 48 3.891 2.578 -14.615 283 HG3 GLN 48 2HG GLN 48 5.384 1.840 -15.241 284 HE21 GLN 48 2HE2 GLN 48 1.854 1.648 -15.146 285 HE22 GLN 48 1HE2 GLN 48 1.679 0.653 -16.553 286 H SER 49 H SER 49 3.803 0.959 -10.943 287 HA SER 49 HA SER 49 5.383 -1.083 -9.343 288 HB2 SER 49 1HB SER 49 5.382 0.911 -8.169 289 HB3 SER 49 2HB SER 49 3.617 1.059 -8.327 290 HG SER 49 HG SER 49 4.561 0.067 -6.333 291 H THR 50 H THR 50 4.340 -2.932 -8.873 292 HA THR 50 HA THR 50 1.403 -3.088 -9.472 293 HB THR 50 HB THR 50 3.502 -5.249 -9.927 294 HG1 THR 50 HG1 THR 50 2.881 -4.910 -12.142 295 HG21 THR 50 1HG2 THR 50 1.622 -6.523 -10.895 296 HG22 THR 50 2HG2 THR 50 1.323 -6.144 -9.182 297 HG23 THR 50 3HG2 THR 50 0.506 -5.210 -10.458 298 H VAL 51 H VAL 51 0.245 -3.396 -7.761 299 HA VAL 51 HA VAL 51 1.438 -4.935 -5.460 300 HB VAL 51 HB VAL 51 -0.851 -2.923 -5.492 301 HG11 VAL 51 1HG1 VAL 51 -0.752 -3.156 -3.032 302 HG12 VAL 51 2HG1 VAL 51 -1.132 -4.712 -3.809 303 HG13 VAL 51 3HG1 VAL 51 0.511 -4.398 -3.201 304 HG21 VAL 51 3HG2 VAL 51 1.284 -1.827 -5.821 305 HG22 VAL 51 1HG2 VAL 51 0.645 -1.490 -4.197 306 HG23 VAL 51 2HG2 VAL 51 1.958 -2.672 -4.407 307 H ILE 52 H ILE 52 0.810 -6.863 -5.107 308 HA ILE 52 HA ILE 52 -1.807 -7.763 -6.254 309 HB ILE 52 HB ILE 52 0.503 -9.363 -5.057 310 HG12 ILE 52 1HG1 ILE 52 -0.331 -9.130 -7.934 311 HG13 ILE 52 2HG1 ILE 52 0.989 -8.200 -7.188 312 HG21 ILE 52 1HG2 ILE 52 -0.695 -11.315 -5.986 313 HG22 ILE 52 2HG2 ILE 52 -1.697 -10.458 -4.794 314 HG23 ILE 52 3HG2 ILE 52 -2.011 -10.250 -6.532 315 HD11 ILE 52 3HD1 ILE 52 0.845 -11.228 -7.396 316 HD12 ILE 52 1HD1 ILE 52 1.858 -10.162 -8.398 317 HD13 ILE 52 2HD1 ILE 52 2.165 -10.297 -6.649 318 H LEU 53 H LEU 53 -3.482 -7.490 -5.070 319 HA LEU 53 HA LEU 53 -3.284 -8.305 -2.195 320 HB2 LEU 53 1HB LEU 53 -3.253 -6.024 -2.285 321 HB3 LEU 53 2HB LEU 53 -4.668 -5.823 -3.345 322 HG LEU 53 HG LEU 53 -6.033 -6.952 -1.515 323 HD11 LEU 53 1HD1 LEU 53 -5.061 -6.834 0.795 324 HD12 LEU 53 2HD1 LEU 53 -4.109 -7.912 -0.251 325 HD13 LEU 53 3HD1 LEU 53 -3.523 -6.269 0.103 326 HD21 LEU 53 3HD2 LEU 53 -6.162 -4.570 -1.943 327 HD22 LEU 53 1HD2 LEU 53 -6.257 -4.878 -0.193 328 HD23 LEU 53 2HD2 LEU 53 -4.741 -4.277 -0.911 329 H ASP 54 H ASP 54 -4.634 -9.787 -1.586 330 HA ASP 54 HA ASP 54 -6.318 -11.387 -1.746 331 HB2 ASP 54 1HB ASP 54 -7.636 -9.031 -1.465 332 HB3 ASP 54 2HB ASP 54 -7.932 -9.423 -3.178 333 H GLY 55 H GLY 55 -4.444 -11.133 -3.961 334 HA2 GLY 55 1HA GLY 55 -4.165 -12.494 -5.835 335 HA3 GLY 55 2HA GLY 55 -5.879 -12.960 -5.726 336 H VAL 56 H VAL 56 -5.521 -9.608 -5.585 337 HA VAL 56 HA VAL 56 -6.152 -9.343 -8.522 338 HB VAL 56 HB VAL 56 -6.921 -7.522 -6.203 339 HG11 VAL 56 1HG1 VAL 56 -8.296 -6.375 -7.908 340 HG12 VAL 56 2HG1 VAL 56 -6.571 -6.334 -8.344 341 HG13 VAL 56 3HG1 VAL 56 -7.667 -7.477 -9.157 342 HG21 VAL 56 3HG2 VAL 56 -8.157 -9.603 -6.105 343 HG22 VAL 56 1HG2 VAL 56 -9.212 -8.265 -6.615 344 HG23 VAL 56 2HG2 VAL 56 -8.616 -9.434 -7.817 345 H ARG 57 H ARG 57 -4.988 -8.183 -9.804 346 HA ARG 57 HA ARG 57 -2.507 -7.021 -8.655 347 HB2 ARG 57 1HB ARG 57 -3.286 -7.590 -11.480 348 HB3 ARG 57 2HB ARG 57 -1.763 -6.838 -10.951 349 HG2 ARG 57 1HG ARG 57 -1.143 -8.851 -9.742 350 HG3 ARG 57 2HG ARG 57 -2.705 -9.606 -10.143 351 HD2 ARG 57 1HD ARG 57 -2.106 -9.579 -12.490 352 HD3 ARG 57 2HD ARG 57 -0.540 -8.842 -12.077 353 HE ARG 57 HE ARG 57 -0.651 -11.377 -10.712 354 HH11 ARG 57 1HH1 ARG 57 -0.659 -10.244 -14.010 355 HH12 ARG 57 2HH1 ARG 57 0.142 -11.715 -14.524 356 HH21 ARG 57 1HH2 ARG 57 0.259 -13.071 -11.286 357 HH22 ARG 57 2HH2 ARG 57 0.666 -13.329 -12.972 358 H TYR 58 H TYR 58 -2.182 -4.977 -8.322 359 HA TYR 58 HA TYR 58 -3.883 -3.013 -9.829 360 HB2 TYR 58 1HB TYR 58 -2.640 -2.741 -7.084 361 HB3 TYR 58 2HB TYR 58 -3.593 -1.505 -7.942 362 HD1 TYR 58 HD2 TYR 58 -6.031 -1.843 -8.282 363 HD2 TYR 58 HD1 TYR 58 -3.723 -4.551 -5.933 364 HE1 TYR 58 HE2 TYR 58 -8.112 -2.756 -7.310 365 HE2 TYR 58 HE1 TYR 58 -5.799 -5.478 -4.948 366 HH TYR 58 HH TYR 58 -9.024 -4.257 -5.861 367 H ASN 59 H ASN 59 -2.769 -2.208 -11.427 368 HA ASN 59 HA ASN 59 0.161 -1.733 -11.015 369 HB2 ASN 59 1HB ASN 59 -0.577 -3.259 -13.099 370 HB3 ASN 59 2HB ASN 59 -1.429 -1.722 -13.385 371 HD21 ASN 59 2HD2 ASN 59 1.878 -2.630 -12.444 372 HD22 ASN 59 1HD2 ASN 59 2.671 -1.707 -13.676 373 H SER 60 H SER 60 1.054 0.190 -11.151 374 HA SER 60 HA SER 60 -0.605 2.587 -10.938 375 HB2 SER 60 1HB SER 60 1.324 3.765 -10.693 376 HB3 SER 60 2HB SER 60 1.441 2.259 -9.753 377 HG SER 60 HG SER 60 2.614 2.742 -12.292 378 H LEU 61 H LEU 61 -0.202 4.498 -12.307 379 HA LEU 61 HA LEU 61 -0.763 3.871 -15.083 380 HB2 LEU 61 1HB LEU 61 -0.103 6.339 -13.617 381 HB3 LEU 61 2HB LEU 61 -0.645 6.440 -15.309 382 HG LEU 61 HG LEU 61 -2.262 5.410 -12.945 383 HD11 LEU 61 1HD1 LEU 61 -3.701 7.415 -13.397 384 HD12 LEU 61 2HD1 LEU 61 -2.033 7.892 -13.002 385 HD13 LEU 61 3HD1 LEU 61 -2.585 7.904 -14.694 386 HD21 LEU 61 3HD2 LEU 61 -2.776 4.172 -14.966 387 HD22 LEU 61 1HD2 LEU 61 -4.134 5.244 -14.550 388 HD23 LEU 61 2HD2 LEU 61 -3.021 5.687 -15.867 389 HA PRO 62 HA PRO 62 3.225 4.031 -16.697 390 HB2 PRO 62 1HB PRO 62 2.626 4.304 -19.103 391 HB3 PRO 62 2HB PRO 62 2.265 2.950 -18.273 392 HG2 PRO 62 1HG PRO 62 0.610 4.824 -19.006 393 HG3 PRO 62 2HG PRO 62 0.327 3.218 -19.023 394 HD2 PRO 62 1HD PRO 62 -0.578 4.360 -17.051 395 HD3 PRO 62 2HD PRO 62 0.135 2.909 -16.829 396 H GLY 63 H GLY 63 4.785 5.344 -17.890 397 HA2 GLY 63 1HA GLY 63 5.384 7.389 -18.950 398 HA3 GLY 63 2HA GLY 63 3.839 8.103 -18.429 399 H PHE 64 H PHE 64 5.169 6.370 -15.892 400 HA PHE 64 HA PHE 64 5.969 8.847 -14.502 401 HB2 PHE 64 1HB PHE 64 5.737 5.937 -13.633 402 HB3 PHE 64 2HB PHE 64 6.318 7.238 -12.570 403 HD1 PHE 64 HD1 PHE 64 4.261 9.226 -14.020 404 HD2 PHE 64 HD2 PHE 64 3.998 5.481 -11.981 405 HE1 PHE 64 HE1 PHE 64 1.931 9.742 -13.374 406 HE2 PHE 64 HE2 PHE 64 1.667 5.993 -11.336 407 HZ PHE 64 HZ PHE 64 0.634 8.126 -12.033 408 H PHE 65 H PHE 65 7.927 9.456 -13.851 409 HA PHE 65 HA PHE 65 10.213 7.898 -15.013 410 HB2 PHE 65 1HB PHE 65 9.970 10.882 -14.425 411 HB3 PHE 65 2HB PHE 65 11.415 10.066 -15.067 412 HD1 PHE 65 HD2 PHE 65 11.247 8.916 -17.303 413 HD2 PHE 65 HD1 PHE 65 8.300 11.637 -15.832 414 HE1 PHE 65 HE2 PHE 65 10.426 9.269 -19.608 415 HE2 PHE 65 HE1 PHE 65 7.474 11.991 -18.136 416 HZ PHE 65 HZ PHE 65 8.538 10.807 -20.024 417 H ASN 66 H ASN 66 8.776 7.794 -12.292 418 HA ASN 66 HA ASN 66 11.236 7.272 -10.809 419 HB2 ASN 66 1HB ASN 66 10.627 9.953 -10.411 420 HB3 ASN 66 2HB ASN 66 9.346 9.003 -9.620 421 HD21 ASN 66 2HD2 ASN 66 10.254 10.335 -7.808 422 HD22 ASN 66 1HD2 ASN 66 11.525 9.618 -6.874 423 H ARG 67 H ARG 67 10.957 6.052 -8.971 424 HA ARG 67 HA ARG 67 8.646 4.317 -9.071 425 HB2 ARG 67 1HB ARG 67 10.864 4.546 -7.092 426 HB3 ARG 67 2HB ARG 67 9.551 3.348 -7.013 427 HG2 ARG 67 1HG ARG 67 10.244 2.381 -9.124 428 HG3 ARG 67 2HG ARG 67 11.481 3.645 -9.332 429 HD2 ARG 67 1HD ARG 67 12.638 2.804 -7.365 430 HD3 ARG 67 2HD ARG 67 11.421 1.513 -7.221 431 HE ARG 67 HE ARG 67 12.638 1.180 -9.799 432 HH11 ARG 67 1HH1 ARG 67 13.706 1.143 -6.480 433 HH12 ARG 67 2HH1 ARG 67 14.959 -0.011 -6.890 434 HH21 ARG 67 1HH2 ARG 67 14.075 -0.134 -10.287 435 HH22 ARG 67 2HH2 ARG 67 15.172 -0.739 -9.061 436 H LYS 68 H LYS 68 9.548 7.065 -7.051 437 HA LYS 68 HA LYS 68 7.568 6.774 -5.033 438 HB2 LYS 68 1HB LYS 68 9.415 8.388 -4.971 439 HB3 LYS 68 2HB LYS 68 8.648 9.301 -6.292 440 HG2 LYS 68 1HG LYS 68 6.732 9.811 -4.866 441 HG3 LYS 68 2HG LYS 68 7.427 8.832 -3.551 442 HD2 LYS 68 1HD LYS 68 9.353 10.349 -3.424 443 HD3 LYS 68 2HD LYS 68 8.688 11.317 -4.762 444 HE2 LYS 68 1HE LYS 68 6.704 11.829 -3.401 445 HE3 LYS 68 2HE LYS 68 7.374 10.868 -2.063 446 HZ1 LYS 68 3HZ LYS 68 8.594 13.298 -3.209 447 HZ2 LYS 68 1HZ LYS 68 7.792 13.215 -1.770 448 HZ3 LYS 68 2HZ LYS 68 9.217 12.406 -1.967 449 H ALA 69 H ALA 69 7.351 8.224 -8.264 450 HA ALA 69 HA ALA 69 4.679 9.212 -7.933 451 HB1 ALA 69 3HB ALA 69 6.156 8.390 -10.455 452 HB2 ALA 69 1HB ALA 69 4.658 9.347 -10.393 453 HB3 ALA 69 2HB ALA 69 6.165 10.008 -9.715 454 H ALA 70 H ALA 70 5.972 6.130 -9.134 455 HA ALA 70 HA ALA 70 3.452 5.003 -9.874 456 HB1 ALA 70 3HB ALA 70 5.979 3.630 -8.894 457 HB2 ALA 70 1HB ALA 70 4.614 2.836 -9.713 458 HB3 ALA 70 2HB ALA 70 5.595 4.040 -10.583 459 H GLU 71 H GLU 71 5.173 5.162 -6.790 460 HA GLU 71 HA GLU 71 3.368 3.374 -5.390 461 HB2 GLU 71 1HB GLU 71 5.288 5.512 -4.465 462 HB3 GLU 71 2HB GLU 71 4.347 4.477 -3.364 463 HG2 GLU 71 1HG GLU 71 6.512 3.513 -5.329 464 HG3 GLU 71 2HG GLU 71 6.551 3.672 -3.557 465 H GLN 72 H GLN 72 3.471 6.874 -5.901 466 HA GLN 72 HA GLN 72 1.265 7.478 -4.144 467 HB2 GLN 72 1HB GLN 72 2.423 8.862 -6.568 468 HB3 GLN 72 2HB GLN 72 1.075 9.524 -5.614 469 HG2 GLN 72 1HG GLN 72 2.791 9.607 -3.534 470 HG3 GLN 72 2HG GLN 72 3.756 8.814 -4.800 471 HE21 GLN 72 2HE2 GLN 72 4.483 11.174 -3.352 472 HE22 GLN 72 1HE2 GLN 72 4.596 12.474 -4.492 473 H SER 73 H SER 73 1.451 6.664 -7.595 474 HA SER 73 HA SER 73 -1.328 6.964 -8.279 475 HB2 SER 73 1HB SER 73 0.345 6.766 -9.890 476 HB3 SER 73 2HB SER 73 0.702 5.106 -9.364 477 HG SER 73 HG SER 73 -1.781 6.048 -10.365 478 H ALA 74 H ALA 74 0.539 4.108 -7.146 479 HA ALA 74 HA ALA 74 -1.678 2.323 -7.071 480 HB1 ALA 74 3HB ALA 74 0.868 2.306 -5.415 481 HB2 ALA 74 1HB ALA 74 -0.252 0.939 -5.613 482 HB3 ALA 74 2HB ALA 74 0.653 1.558 -7.015 483 H ALA 75 H ALA 75 -0.403 4.583 -4.668 484 HA ALA 75 HA ALA 75 -2.067 3.743 -2.502 485 HB1 ALA 75 3HB ALA 75 -0.934 6.491 -3.124 486 HB2 ALA 75 1HB ALA 75 -1.605 5.974 -1.561 487 HB3 ALA 75 2HB ALA 75 -0.126 5.211 -2.190 488 H GLU 76 H GLU 76 -2.572 6.128 -5.090 489 HA GLU 76 HA GLU 76 -5.168 6.991 -4.190 490 HB2 GLU 76 1HB GLU 76 -3.849 6.928 -6.904 491 HB3 GLU 76 2HB GLU 76 -5.457 7.630 -6.605 492 HG2 GLU 76 1HG GLU 76 -4.411 9.324 -5.052 493 HG3 GLU 76 2HG GLU 76 -2.887 8.449 -5.318 494 H VAL 77 H VAL 77 -4.117 4.336 -6.287 495 HA VAL 77 HA VAL 77 -6.775 3.417 -6.986 496 HB VAL 77 HB VAL 77 -4.121 1.940 -6.741 497 HG11 VAL 77 1HG1 VAL 77 -5.229 0.149 -8.034 498 HG12 VAL 77 2HG1 VAL 77 -6.034 0.398 -6.467 499 HG13 VAL 77 3HG1 VAL 77 -6.766 1.043 -7.957 500 HG21 VAL 77 3HG2 VAL 77 -4.118 3.653 -8.454 501 HG22 VAL 77 1HG2 VAL 77 -4.122 2.031 -9.182 502 HG23 VAL 77 2HG2 VAL 77 -5.619 2.992 -9.145 503 H ALA 78 H ALA 78 -4.631 2.658 -4.263 504 HA ALA 78 HA ALA 78 -6.367 0.717 -3.088 505 HB1 ALA 78 3HB ALA 78 -4.387 2.600 -1.763 506 HB2 ALA 78 1HB ALA 78 -5.112 1.158 -1.015 507 HB3 ALA 78 2HB ALA 78 -4.024 0.984 -2.412 508 H LEU 79 H LEU 79 -6.204 4.247 -2.779 509 HA LEU 79 HA LEU 79 -8.288 4.470 -0.804 510 HB2 LEU 79 1HB LEU 79 -7.259 6.196 -2.950 511 HB3 LEU 79 2HB LEU 79 -8.469 6.864 -1.832 512 HG LEU 79 HG LEU 79 -5.696 5.854 -1.085 513 HD11 LEU 79 1HD1 LEU 79 -5.233 8.265 -0.567 514 HD12 LEU 79 2HD1 LEU 79 -5.654 8.041 -2.281 515 HD13 LEU 79 3HD1 LEU 79 -6.863 8.686 -1.144 516 HD21 LEU 79 3HD2 LEU 79 -7.311 5.441 0.677 517 HD22 LEU 79 1HD2 LEU 79 -6.205 6.750 1.161 518 HD23 LEU 79 2HD2 LEU 79 -7.856 7.135 0.614 519 H ARG 80 H ARG 80 -8.333 4.339 -4.342 520 HA ARG 80 HA ARG 80 -11.167 4.794 -4.609 521 HB2 ARG 80 1HB ARG 80 -9.171 3.482 -6.388 522 HB3 ARG 80 2HB ARG 80 -10.901 3.626 -6.778 523 HG2 ARG 80 1HG ARG 80 -10.751 6.055 -6.693 524 HG3 ARG 80 2HG ARG 80 -9.043 5.953 -6.202 525 HD2 ARG 80 1HD ARG 80 -8.489 4.959 -8.333 526 HD3 ARG 80 2HD ARG 80 -10.197 5.055 -8.823 527 HE ARG 80 HE ARG 80 -9.340 7.753 -8.308 528 HH11 ARG 80 1HH1 ARG 80 -8.483 5.185 -10.506 529 HH12 ARG 80 2HH1 ARG 80 -8.031 6.367 -11.720 530 HH21 ARG 80 1HH2 ARG 80 -8.819 9.118 -9.684 531 HH22 ARG 80 2HH2 ARG 80 -8.221 8.610 -11.251 532 H GLU 81 H GLU 81 -9.230 1.889 -4.049 533 HA GLU 81 HA GLU 81 -11.560 0.118 -4.143 534 HB2 GLU 81 1HB GLU 81 -8.758 -0.216 -3.063 535 HB3 GLU 81 2HB GLU 81 -9.992 -1.499 -3.086 536 HG2 GLU 81 1HG GLU 81 -8.772 -0.160 -5.576 537 HG3 GLU 81 2HG GLU 81 -8.443 -1.756 -4.864 538 H LEU 82 H LEU 82 -9.939 2.047 -1.718 539 HA LEU 82 HA LEU 82 -11.151 0.774 0.573 540 HB2 LEU 82 1HB LEU 82 -9.246 2.081 0.680 541 HB3 LEU 82 2HB LEU 82 -10.026 3.602 0.187 542 HG LEU 82 HG LEU 82 -11.485 3.423 2.230 543 HD11 LEU 82 1HD1 LEU 82 -10.694 1.906 4.065 544 HD12 LEU 82 2HD1 LEU 82 -11.186 0.980 2.626 545 HD13 LEU 82 3HD1 LEU 82 -9.459 1.247 2.967 546 HD21 LEU 82 3HD2 LEU 82 -9.570 4.909 2.182 547 HD22 LEU 82 1HD2 LEU 82 -9.745 4.199 3.804 548 HD23 LEU 82 2HD2 LEU 82 -8.494 3.587 2.695 549 H ALA 83 H ALA 83 -12.145 3.431 -1.543 550 HA ALA 83 HA ALA 83 -14.410 4.208 0.035 551 HB1 ALA 83 3HB ALA 83 -13.922 4.493 -2.949 552 HB2 ALA 83 1HB ALA 83 -15.171 5.345 -2.014 553 HB3 ALA 83 2HB ALA 83 -13.449 5.660 -1.692 554 H LYS 84 H LYS 84 -13.815 1.449 -1.879 555 HA LYS 84 HA LYS 84 -16.648 0.980 -2.556 556 HB2 LYS 84 1HB LYS 84 -14.149 -0.690 -2.860 557 HB3 LYS 84 2HB LYS 84 -15.773 -1.191 -3.391 558 HG2 LYS 84 1HG LYS 84 -15.860 0.675 -4.969 559 HG3 LYS 84 2HG LYS 84 -14.268 1.242 -4.410 560 HD2 LYS 84 1HD LYS 84 -13.233 -0.837 -5.191 561 HD3 LYS 84 2HD LYS 84 -14.823 -1.447 -5.709 562 HE2 LYS 84 1HE LYS 84 -15.020 0.409 -7.304 563 HE3 LYS 84 2HE LYS 84 -13.438 1.032 -6.782 564 HZ1 LYS 84 3HZ LYS 84 -13.914 -1.583 -8.062 565 HZ2 LYS 84 1HZ LYS 84 -13.265 -0.258 -8.800 566 HZ3 LYS 84 2HZ LYS 84 -12.446 -1.007 -7.577 567 H SER 85 H SER 85 -14.567 0.398 0.090 568 HA SER 85 HA SER 85 -15.815 -2.035 1.145 569 HB2 SER 85 1HB SER 85 -14.624 -1.672 3.056 570 HB3 SER 85 2HB SER 85 -13.584 -1.380 1.643 571 HG SER 85 HG SER 85 -13.329 0.204 3.277 572 H SER 86 H SER 86 -16.646 1.351 1.053 573 HA SER 86 HA SER 86 -18.199 1.643 3.464 574 HB2 SER 86 1HB SER 86 -17.460 3.482 2.256 575 HB3 SER 86 2HB SER 86 -18.440 3.006 0.850 576 HG SER 86 HG SER 86 -19.420 3.636 3.438 Start of MODEL 7 1 H PHE 16 H PHE 16 -0.091 9.244 0.918 2 HA PHE 16 HA PHE 16 -2.199 6.961 0.905 3 HB2 PHE 16 1HB PHE 16 -0.692 7.765 -1.618 4 HB3 PHE 16 2HB PHE 16 -1.825 6.399 -1.523 5 HD1 PHE 16 HD2 PHE 16 -4.216 6.825 -1.022 6 HD2 PHE 16 HD1 PHE 16 -1.442 9.961 -1.874 7 HE1 PHE 16 HE2 PHE 16 -6.096 8.345 -1.538 8 HE2 PHE 16 HE1 PHE 16 -3.320 11.484 -2.388 9 HZ PHE 16 HZ PHE 16 -5.647 10.676 -2.219 10 H LYS 17 H LYS 17 1.248 7.395 0.654 11 HA LYS 17 HA LYS 17 2.045 4.703 0.206 12 HB2 LYS 17 1HB LYS 17 3.541 6.663 0.199 13 HB3 LYS 17 2HB LYS 17 3.346 6.789 1.964 14 HG2 LYS 17 1HG LYS 17 4.407 4.613 2.269 15 HG3 LYS 17 2HG LYS 17 4.535 4.405 0.506 16 HD2 LYS 17 1HD LYS 17 6.017 6.351 0.365 17 HD3 LYS 17 2HD LYS 17 5.863 6.610 2.118 18 HE2 LYS 17 1HE LYS 17 6.895 4.434 2.549 19 HE3 LYS 17 2HE LYS 17 7.011 4.130 0.800 20 HZ1 LYS 17 3HZ LYS 17 8.378 6.300 2.256 21 HZ2 LYS 17 1HZ LYS 17 9.091 4.919 1.705 22 HZ3 LYS 17 2HZ LYS 17 8.486 6.019 0.635 23 H SER 18 H SER 18 1.731 2.917 1.247 24 HA SER 18 HA SER 18 1.624 1.410 3.107 25 HB2 SER 18 1HB SER 18 2.303 3.781 4.739 26 HB3 SER 18 2HB SER 18 2.294 2.069 5.221 27 HG SER 18 HG SER 18 3.897 1.717 3.618 28 H ARG 19 H ARG 19 -0.431 3.941 2.399 29 HA ARG 19 HA ARG 19 -2.293 3.737 4.620 30 HB2 ARG 19 1HB ARG 19 -2.214 5.664 3.191 31 HB3 ARG 19 2HB ARG 19 -2.769 4.669 1.824 32 HG2 ARG 19 1HG ARG 19 -4.887 4.254 2.923 33 HG3 ARG 19 2HG ARG 19 -4.333 5.108 4.384 34 HD2 ARG 19 1HD ARG 19 -4.234 7.175 3.139 35 HD3 ARG 19 2HD ARG 19 -4.781 6.322 1.676 36 HE ARG 19 HE ARG 19 -6.827 6.061 3.733 37 HH11 ARG 19 1HH1 ARG 19 -5.442 8.487 1.648 38 HH12 ARG 19 2HH1 ARG 19 -6.968 9.349 1.627 39 HH21 ARG 19 1HH2 ARG 19 -8.579 7.040 3.726 40 HH22 ARG 19 2HH2 ARG 19 -8.757 8.525 2.812 41 H LEU 20 H LEU 20 -2.090 2.192 1.419 42 HA LEU 20 HA LEU 20 -4.415 0.571 1.651 43 HB2 LEU 20 1HB LEU 20 -3.038 0.959 -0.259 44 HB3 LEU 20 2HB LEU 20 -1.768 -0.160 0.287 45 HG LEU 20 HG LEU 20 -3.624 -1.937 0.387 46 HD11 LEU 20 1HD1 LEU 20 -5.550 -1.524 -1.165 47 HD12 LEU 20 2HD1 LEU 20 -5.541 -0.358 0.179 48 HD13 LEU 20 3HD1 LEU 20 -4.961 0.134 -1.431 49 HD21 LEU 20 3HD2 LEU 20 -1.857 -1.961 -1.275 50 HD22 LEU 20 1HD2 LEU 20 -3.397 -2.456 -2.018 51 HD23 LEU 20 2HD2 LEU 20 -2.762 -0.816 -2.294 52 H GLN 21 H GLN 21 -1.176 0.154 2.987 53 HA GLN 21 HA GLN 21 -1.638 -2.554 3.910 54 HB2 GLN 21 1HB GLN 21 0.309 -0.400 4.752 55 HB3 GLN 21 2HB GLN 21 0.317 -2.061 5.391 56 HG2 GLN 21 1HG GLN 21 0.852 -2.860 2.870 57 HG3 GLN 21 2HG GLN 21 0.609 -1.109 2.676 58 HE21 GLN 21 2HE2 GLN 21 2.921 -2.572 1.860 59 HE22 GLN 21 1HE2 GLN 21 4.265 -1.995 2.788 60 H GLU 22 H GLU 22 -1.916 0.644 5.435 61 HA GLU 22 HA GLU 22 -2.658 -0.224 8.035 62 HB2 GLU 22 1HB GLU 22 -2.165 2.094 7.444 63 HB3 GLU 22 2HB GLU 22 -3.641 2.155 6.451 64 HG2 GLU 22 1HG GLU 22 -5.018 1.812 8.566 65 HG3 GLU 22 2HG GLU 22 -3.452 1.733 9.404 66 H TYR 23 H TYR 23 -4.772 0.487 5.242 67 HA TYR 23 HA TYR 23 -7.184 -0.308 6.614 68 HB2 TYR 23 1HB TYR 23 -6.473 -0.056 3.688 69 HB3 TYR 23 2HB TYR 23 -8.102 -0.455 4.287 70 HD1 TYR 23 HD1 TYR 23 -6.680 1.679 6.642 71 HD2 TYR 23 HD2 TYR 23 -8.350 1.752 2.719 72 HE1 TYR 23 HE1 TYR 23 -7.173 4.093 6.906 73 HE2 TYR 23 HE2 TYR 23 -8.850 4.160 2.965 74 HH TYR 23 HH TYR 23 -8.043 5.958 5.946 75 H ALA 24 H ALA 24 -4.874 -2.040 4.569 76 HA ALA 24 HA ALA 24 -6.309 -4.453 4.276 77 HB1 ALA 24 3HB ALA 24 -3.320 -4.056 4.647 78 HB2 ALA 24 1HB ALA 24 -4.103 -5.519 4.005 79 HB3 ALA 24 2HB ALA 24 -4.203 -3.988 3.104 80 H GLN 25 H GLN 25 -4.188 -3.396 6.935 81 HA GLN 25 HA GLN 25 -4.517 -5.799 8.495 82 HB2 GLN 25 1HB GLN 25 -3.818 -2.951 9.226 83 HB3 GLN 25 2HB GLN 25 -3.832 -4.297 10.390 84 HG2 GLN 25 1HG GLN 25 -1.872 -5.402 8.907 85 HG3 GLN 25 2HG GLN 25 -2.314 -3.968 7.953 86 HE21 GLN 25 2HE2 GLN 25 0.308 -4.599 8.870 87 HE22 GLN 25 1HE2 GLN 25 0.794 -3.362 9.982 88 H LYS 26 H LYS 26 -6.304 -2.744 8.351 89 HA LYS 26 HA LYS 26 -8.000 -3.346 10.618 90 HB2 LYS 26 1HB LYS 26 -8.304 -1.484 8.261 91 HB3 LYS 26 2HB LYS 26 -9.462 -1.584 9.609 92 HG2 LYS 26 1HG LYS 26 -7.719 -0.891 11.185 93 HG3 LYS 26 2HG LYS 26 -6.528 -0.839 9.863 94 HD2 LYS 26 1HD LYS 26 -7.817 0.928 8.752 95 HD3 LYS 26 2HD LYS 26 -9.039 0.862 10.044 96 HE2 LYS 26 1HE LYS 26 -7.341 1.526 11.689 97 HE3 LYS 26 2HE LYS 26 -6.115 1.588 10.402 98 HZ1 LYS 26 3HZ LYS 26 -8.527 3.279 10.554 99 HZ2 LYS 26 1HZ LYS 26 -6.990 3.767 10.901 100 HZ3 LYS 26 2HZ LYS 26 -7.391 3.336 9.359 101 H TYR 27 H TYR 27 -8.065 -4.235 7.245 102 HA TYR 27 HA TYR 27 -10.914 -5.109 7.513 103 HB2 TYR 27 1HB TYR 27 -9.159 -4.720 5.080 104 HB3 TYR 27 2HB TYR 27 -10.852 -5.269 5.064 105 HD1 TYR 27 HD1 TYR 27 -11.226 -3.173 7.576 106 HD2 TYR 27 HD2 TYR 27 -10.059 -2.915 3.483 107 HE1 TYR 27 HE1 TYR 27 -11.990 -0.816 7.515 108 HE2 TYR 27 HE2 TYR 27 -10.816 -0.564 3.403 109 HH TYR 27 HH TYR 27 -11.742 1.166 4.560 110 H LYS 28 H LYS 28 -8.156 -6.421 8.290 111 HA LYS 28 HA LYS 28 -7.316 -8.590 8.344 112 HB2 LYS 28 1HB LYS 28 -10.203 -9.262 7.755 113 HB3 LYS 28 2HB LYS 28 -8.963 -10.385 8.362 114 HG2 LYS 28 1HG LYS 28 -8.771 -9.044 10.426 115 HG3 LYS 28 2HG LYS 28 -10.030 -7.942 9.820 116 HD2 LYS 28 1HD LYS 28 -11.616 -9.849 9.726 117 HD3 LYS 28 2HD LYS 28 -10.357 -10.903 10.412 118 HE2 LYS 28 1HE LYS 28 -10.284 -9.553 12.437 119 HE3 LYS 28 2HE LYS 28 -11.465 -8.416 11.749 120 HZ1 LYS 28 3HZ LYS 28 -11.974 -11.257 12.357 121 HZ2 LYS 28 1HZ LYS 28 -12.502 -9.975 13.251 122 HZ3 LYS 28 2HZ LYS 28 -13.070 -10.202 11.719 123 H LEU 29 H LEU 29 -7.035 -7.235 5.892 124 HA LEU 29 HA LEU 29 -7.430 -9.406 3.883 125 HB2 LEU 29 1HB LEU 29 -6.484 -6.619 3.706 126 HB3 LEU 29 2HB LEU 29 -6.714 -7.599 2.239 127 HG LEU 29 HG LEU 29 -8.872 -6.648 4.161 128 HD11 LEU 29 1HD1 LEU 29 -9.695 -5.373 2.163 129 HD12 LEU 29 2HD1 LEU 29 -8.038 -4.894 2.598 130 HD13 LEU 29 3HD1 LEU 29 -8.317 -5.987 1.222 131 HD21 LEU 29 3HD2 LEU 29 -9.371 -8.881 3.357 132 HD22 LEU 29 1HD2 LEU 29 -10.472 -7.703 2.602 133 HD23 LEU 29 2HD2 LEU 29 -9.105 -8.366 1.675 134 HA PRO 30 HA PRO 30 -3.346 -10.733 3.832 135 HB2 PRO 30 1HB PRO 30 -3.663 -10.625 1.125 136 HB3 PRO 30 2HB PRO 30 -3.241 -11.865 2.093 137 HG2 PRO 30 1HG PRO 30 -5.660 -11.096 1.498 138 HG3 PRO 30 2HG PRO 30 -5.136 -12.636 1.636 139 HD2 PRO 30 1HD PRO 30 -6.476 -9.618 1.921 140 HD3 PRO 30 2HD PRO 30 -6.394 -11.078 2.644 141 H THR 31 H THR 31 -1.197 -10.080 3.555 142 HA THR 31 HA THR 31 -0.840 -7.240 3.356 143 HB THR 31 HB THR 31 1.230 -9.450 3.006 144 HG1 THR 31 HG1 THR 31 0.399 -7.997 5.327 145 HG21 THR 31 1HG2 THR 31 2.832 -7.703 3.700 146 HG22 THR 31 2HG2 THR 31 1.987 -7.238 2.205 147 HG23 THR 31 3HG2 THR 31 1.511 -6.513 3.757 148 HA PRO 32 HA PRO 32 -1.065 -6.749 -0.900 149 HB2 PRO 32 1HB PRO 32 -0.235 -4.362 -0.905 150 HB3 PRO 32 2HB PRO 32 -1.720 -4.800 -0.394 151 HG2 PRO 32 1HG PRO 32 0.313 -4.130 1.093 152 HG3 PRO 32 2HG PRO 32 -1.247 -3.723 1.340 153 HD2 PRO 32 1HD PRO 32 -0.213 -5.562 2.643 154 HD3 PRO 32 2HD PRO 32 -1.757 -5.647 2.122 155 H VAL 33 H VAL 33 0.188 -6.959 -2.703 156 HA VAL 33 HA VAL 33 3.156 -6.854 -2.168 157 HB VAL 33 HB VAL 33 1.601 -8.547 -4.169 158 HG11 VAL 33 1HG1 VAL 33 3.802 -9.578 -4.624 159 HG12 VAL 33 2HG1 VAL 33 3.820 -7.839 -4.998 160 HG13 VAL 33 3HG1 VAL 33 4.570 -8.435 -3.498 161 HG21 VAL 33 3HG2 VAL 33 1.300 -9.357 -1.906 162 HG22 VAL 33 1HG2 VAL 33 2.345 -10.455 -2.837 163 HG23 VAL 33 2HG2 VAL 33 3.061 -9.343 -1.647 164 H TYR 34 H TYR 34 4.389 -5.561 -3.226 165 HA TYR 34 HA TYR 34 3.138 -4.030 -5.482 166 HB2 TYR 34 1HB TYR 34 5.300 -3.276 -3.507 167 HB3 TYR 34 2HB TYR 34 4.832 -2.302 -4.922 168 HD1 TYR 34 HD1 TYR 34 3.561 -3.699 -1.707 169 HD2 TYR 34 HD2 TYR 34 2.979 -0.829 -4.808 170 HE1 TYR 34 HE1 TYR 34 1.780 -2.621 -0.364 171 HE2 TYR 34 HE2 TYR 34 1.200 0.258 -3.481 172 HH TYR 34 HH TYR 34 0.248 -0.948 -0.256 173 H GLU 35 H GLU 35 3.824 -4.433 -7.415 174 HA GLU 35 HA GLU 35 6.659 -5.364 -7.747 175 HB2 GLU 35 1HB GLU 35 4.202 -5.912 -9.419 176 HB3 GLU 35 2HB GLU 35 5.867 -6.357 -9.871 177 HG2 GLU 35 1HG GLU 35 5.943 -7.839 -7.767 178 HG3 GLU 35 2HG GLU 35 4.258 -7.317 -7.543 179 H ILE 36 H ILE 36 7.994 -4.336 -9.055 180 HA ILE 36 HA ILE 36 6.902 -1.902 -10.448 181 HB ILE 36 HB ILE 36 9.680 -2.347 -9.259 182 HG12 ILE 36 1HG1 ILE 36 8.009 -2.123 -7.538 183 HG13 ILE 36 2HG1 ILE 36 9.110 -0.728 -7.601 184 HG21 ILE 36 1HG2 ILE 36 10.004 0.046 -9.783 185 HG22 ILE 36 2HG2 ILE 36 9.661 -0.890 -11.256 186 HG23 ILE 36 3HG2 ILE 36 8.385 0.106 -10.519 187 HD11 ILE 36 3HD1 ILE 36 6.282 -0.812 -8.710 188 HD12 ILE 36 1HD1 ILE 36 6.786 -0.011 -7.205 189 HD13 ILE 36 2HD1 ILE 36 7.383 0.583 -8.774 190 H VAL 37 H VAL 37 7.040 -1.746 -12.501 191 HA VAL 37 HA VAL 37 8.978 -3.557 -13.938 192 HB VAL 37 HB VAL 37 6.312 -2.434 -14.900 193 HG11 VAL 37 1HG1 VAL 37 6.709 -3.878 -16.867 194 HG12 VAL 37 2HG1 VAL 37 7.998 -2.665 -16.693 195 HG13 VAL 37 3HG1 VAL 37 8.290 -4.350 -16.202 196 HG21 VAL 37 3HG2 VAL 37 5.979 -4.179 -13.251 197 HG22 VAL 37 1HG2 VAL 37 5.542 -4.753 -14.878 198 HG23 VAL 37 2HG2 VAL 37 7.081 -5.256 -14.141 199 H LYS 38 H LYS 38 10.540 -2.730 -15.004 200 HA LYS 38 HA LYS 38 10.402 0.197 -15.645 201 HB2 LYS 38 1HB LYS 38 12.194 -0.515 -14.112 202 HB3 LYS 38 2HB LYS 38 12.793 -1.631 -15.364 203 HG2 LYS 38 1HG LYS 38 13.218 0.305 -16.854 204 HG3 LYS 38 2HG LYS 38 12.681 1.398 -15.557 205 HD2 LYS 38 1HD LYS 38 14.488 0.569 -14.104 206 HD3 LYS 38 2HD LYS 38 15.025 -0.528 -15.399 207 HE2 LYS 38 1HE LYS 38 15.479 1.398 -16.852 208 HE3 LYS 38 2HE LYS 38 14.932 2.500 -15.566 209 HZ1 LYS 38 3HZ LYS 38 17.244 0.676 -15.393 210 HZ2 LYS 38 1HZ LYS 38 17.325 2.308 -15.616 211 HZ3 LYS 38 2HZ LYS 38 16.738 1.698 -14.200 212 H GLU 39 H GLU 39 10.054 0.751 -17.629 213 HA GLU 39 HA GLU 39 11.090 -1.020 -19.813 214 HB2 GLU 39 1HB GLU 39 8.376 0.299 -19.632 215 HB3 GLU 39 2HB GLU 39 9.046 -0.471 -21.091 216 HG2 GLU 39 1HG GLU 39 9.106 -2.687 -19.801 217 HG3 GLU 39 2HG GLU 39 8.405 -1.746 -18.465 218 H GLY 40 H GLY 40 11.249 0.036 -21.902 219 HA2 GLY 40 1HA GLY 40 11.285 2.032 -23.238 220 HA3 GLY 40 2HA GLY 40 11.396 3.005 -21.752 221 HA PRO 41 HA PRO 41 15.552 2.530 -23.671 222 HB2 PRO 41 1HB PRO 41 15.368 5.240 -23.478 223 HB3 PRO 41 2HB PRO 41 15.863 4.296 -24.712 224 HG2 PRO 41 1HG PRO 41 13.419 5.032 -24.187 225 HG3 PRO 41 2HG PRO 41 14.103 4.921 -25.663 226 HD2 PRO 41 1HD PRO 41 12.368 4.536 -22.935 227 HD3 PRO 41 2HD PRO 41 12.637 3.872 -24.401 228 H SER 42 H SER 42 17.627 2.804 -22.735 229 HA SER 42 HA SER 42 17.646 2.623 -19.856 230 HB2 SER 42 1HB SER 42 19.924 2.581 -19.974 231 HB3 SER 42 2HB SER 42 19.241 1.596 -21.287 232 HG SER 42 HG SER 42 20.986 2.908 -21.978 233 H HIS 43 H HIS 43 17.699 5.332 -22.073 234 HA HIS 43 HA HIS 43 18.563 7.158 -19.862 235 HB2 HIS 43 1HB HIS 43 18.509 7.585 -22.885 236 HB3 HIS 43 2HB HIS 43 18.987 8.808 -21.683 237 HD2 HIS 43 HD2 HIS 43 20.708 6.156 -23.882 238 HE1 HIS 43 HE1 HIS 43 23.272 6.987 -20.597 239 HE2 HIS 43 HE2 HIS 43 23.017 5.871 -22.963 240 H LYS 44 H LYS 44 15.876 6.150 -21.724 241 HA LYS 44 HA LYS 44 14.304 8.445 -20.604 242 HB2 LYS 44 1HB LYS 44 14.031 7.088 -23.288 243 HB3 LYS 44 2HB LYS 44 12.824 8.191 -22.586 244 HG2 LYS 44 1HG LYS 44 14.516 9.999 -22.564 245 HG3 LYS 44 2HG LYS 44 15.685 8.892 -23.323 246 HD2 LYS 44 1HD LYS 44 14.093 8.622 -25.238 247 HD3 LYS 44 2HD LYS 44 13.062 9.870 -24.497 248 HE2 LYS 44 1HE LYS 44 14.888 11.491 -24.639 249 HE3 LYS 44 2HE LYS 44 15.953 10.247 -25.333 250 HZ1 LYS 44 3HZ LYS 44 13.479 11.270 -26.572 251 HZ2 LYS 44 1HZ LYS 44 15.014 11.661 -27.032 252 HZ3 LYS 44 2HZ LYS 44 14.467 10.116 -27.216 253 H SER 45 H SER 45 14.710 6.112 -19.188 254 HA SER 45 HA SER 45 12.685 4.060 -19.736 255 HB2 SER 45 1HB SER 45 13.365 3.048 -17.809 256 HB3 SER 45 2HB SER 45 14.788 3.589 -18.730 257 HG SER 45 HG SER 45 14.909 5.372 -17.289 258 H LEU 46 H LEU 46 10.738 3.739 -18.747 259 HA LEU 46 HA LEU 46 9.921 5.681 -16.618 260 HB2 LEU 46 1HB LEU 46 8.366 4.495 -18.822 261 HB3 LEU 46 2HB LEU 46 7.550 5.454 -17.566 262 HG LEU 46 HG LEU 46 9.626 6.474 -19.543 263 HD11 LEU 46 1HD1 LEU 46 7.711 7.796 -20.481 264 HD12 LEU 46 2HD1 LEU 46 7.401 6.048 -20.583 265 HD13 LEU 46 3HD1 LEU 46 6.621 7.018 -19.311 266 HD21 LEU 46 3HD2 LEU 46 9.792 7.604 -17.405 267 HD22 LEU 46 1HD2 LEU 46 9.105 8.706 -18.621 268 HD23 LEU 46 2HD2 LEU 46 8.045 7.939 -17.412 269 H PHE 47 H PHE 47 8.671 4.938 -14.963 270 HA PHE 47 HA PHE 47 8.753 1.960 -14.651 271 HB2 PHE 47 1HB PHE 47 8.604 4.217 -12.606 272 HB3 PHE 47 2HB PHE 47 8.487 2.489 -12.205 273 HD1 PHE 47 HD2 PHE 47 10.416 1.015 -12.500 274 HD2 PHE 47 HD1 PHE 47 10.675 5.238 -13.090 275 HE1 PHE 47 HE2 PHE 47 12.877 0.886 -12.320 276 HE2 PHE 47 HE1 PHE 47 13.138 5.113 -12.914 277 HZ PHE 47 HZ PHE 47 14.239 2.936 -12.529 278 H GLN 48 H GLN 48 7.021 0.778 -13.989 279 HA GLN 48 HA GLN 48 4.487 2.223 -13.418 280 HB2 GLN 48 1HB GLN 48 4.513 1.593 -15.832 281 HB3 GLN 48 2HB GLN 48 4.696 -0.106 -15.336 282 HG2 GLN 48 1HG GLN 48 2.269 0.275 -14.085 283 HG3 GLN 48 2HG GLN 48 2.577 1.805 -14.939 284 HE21 GLN 48 2HE2 GLN 48 0.276 0.329 -15.396 285 HE22 GLN 48 1HE2 GLN 48 0.328 -0.339 -16.994 286 H SER 49 H SER 49 3.234 1.334 -11.905 287 HA SER 49 HA SER 49 4.504 -0.976 -10.413 288 HB2 SER 49 1HB SER 49 4.728 1.001 -9.259 289 HB3 SER 49 2HB SER 49 2.998 1.371 -9.434 290 HG SER 49 HG SER 49 4.102 -0.867 -8.085 291 H THR 50 H THR 50 3.324 -2.768 -10.100 292 HA THR 50 HA THR 50 0.334 -2.510 -10.183 293 HB THR 50 HB THR 50 2.035 -4.943 -10.878 294 HG1 THR 50 HG1 THR 50 0.199 -3.670 -12.611 295 HG21 THR 50 1HG2 THR 50 -0.128 -5.998 -11.437 296 HG22 THR 50 2HG2 THR 50 -0.065 -5.538 -9.718 297 HG23 THR 50 3HG2 THR 50 -0.984 -4.544 -10.872 298 H VAL 51 H VAL 51 -0.691 -2.828 -8.388 299 HA VAL 51 HA VAL 51 0.736 -4.288 -6.164 300 HB VAL 51 HB VAL 51 0.364 -1.876 -5.674 301 HG11 VAL 51 1HG1 VAL 51 -1.951 -1.048 -5.417 302 HG12 VAL 51 2HG1 VAL 51 -1.627 -1.533 -7.098 303 HG13 VAL 51 3HG1 VAL 51 -2.573 -2.598 -6.031 304 HG21 VAL 51 3HG2 VAL 51 0.358 -3.488 -3.866 305 HG22 VAL 51 1HG2 VAL 51 -0.804 -2.179 -3.549 306 HG23 VAL 51 2HG2 VAL 51 -1.384 -3.769 -4.097 307 H ILE 52 H ILE 52 -0.148 -5.906 -5.159 308 HA ILE 52 HA ILE 52 -2.889 -6.735 -6.089 309 HB ILE 52 HB ILE 52 -0.522 -8.501 -5.309 310 HG12 ILE 52 1HG1 ILE 52 -1.789 -8.078 -8.004 311 HG13 ILE 52 2HG1 ILE 52 -0.248 -7.372 -7.460 312 HG21 ILE 52 1HG2 ILE 52 -1.984 -10.352 -6.049 313 HG22 ILE 52 2HG2 ILE 52 -2.719 -9.456 -4.700 314 HG23 ILE 52 3HG2 ILE 52 -3.297 -9.192 -6.361 315 HD11 ILE 52 3HD1 ILE 52 -0.843 -10.339 -7.741 316 HD12 ILE 52 1HD1 ILE 52 0.130 -9.362 -8.863 317 HD13 ILE 52 2HD1 ILE 52 0.696 -9.632 -7.197 318 H LEU 53 H LEU 53 -4.394 -6.784 -4.688 319 HA LEU 53 HA LEU 53 -3.682 -7.455 -1.864 320 HB2 LEU 53 1HB LEU 53 -3.845 -5.181 -1.984 321 HB3 LEU 53 2HB LEU 53 -5.419 -5.114 -2.810 322 HG LEU 53 HG LEU 53 -6.385 -6.303 -0.773 323 HD11 LEU 53 1HD1 LEU 53 -5.077 -6.047 1.353 324 HD12 LEU 53 2HD1 LEU 53 -4.216 -7.074 0.184 325 HD13 LEU 53 3HD1 LEU 53 -3.718 -5.382 0.419 326 HD21 LEU 53 3HD2 LEU 53 -6.775 -3.950 -1.207 327 HD22 LEU 53 1HD2 LEU 53 -6.569 -4.219 0.540 328 HD23 LEU 53 2HD2 LEU 53 -5.240 -3.519 -0.416 329 H ASP 54 H ASP 54 -4.813 -9.006 -1.016 330 HA ASP 54 HA ASP 54 -6.402 -10.695 -0.840 331 HB2 ASP 54 1HB ASP 54 -7.845 -8.415 -0.540 332 HB3 ASP 54 2HB ASP 54 -8.317 -8.943 -2.174 333 H GLY 55 H GLY 55 -4.835 -10.472 -3.288 334 HA2 GLY 55 1HA GLY 55 -4.692 -12.002 -5.051 335 HA3 GLY 55 2HA GLY 55 -6.374 -12.495 -4.742 336 H VAL 56 H VAL 56 -6.279 -9.171 -4.833 337 HA VAL 56 HA VAL 56 -7.264 -9.156 -7.677 338 HB VAL 56 HB VAL 56 -7.706 -7.139 -5.436 339 HG11 VAL 56 1HG1 VAL 56 -9.383 -6.191 -6.986 340 HG12 VAL 56 2HG1 VAL 56 -7.756 -6.161 -7.706 341 HG13 VAL 56 3HG1 VAL 56 -8.931 -7.398 -8.213 342 HG21 VAL 56 3HG2 VAL 56 -8.835 -9.224 -4.937 343 HG22 VAL 56 1HG2 VAL 56 -10.006 -7.961 -5.385 344 HG23 VAL 56 2HG2 VAL 56 -9.576 -9.232 -6.556 345 H ARG 57 H ARG 57 -6.234 -8.244 -9.219 346 HA ARG 57 HA ARG 57 -3.709 -6.837 -8.567 347 HB2 ARG 57 1HB ARG 57 -4.825 -7.700 -11.198 348 HB3 ARG 57 2HB ARG 57 -3.251 -6.920 -10.918 349 HG2 ARG 57 1HG ARG 57 -2.480 -8.822 -9.638 350 HG3 ARG 57 2HG ARG 57 -4.085 -9.586 -9.736 351 HD2 ARG 57 1HD ARG 57 -3.828 -9.822 -12.125 352 HD3 ARG 57 2HD ARG 57 -2.229 -9.048 -12.032 353 HE ARG 57 HE ARG 57 -2.089 -11.416 -10.403 354 HH11 ARG 57 1HH1 ARG 57 -2.646 -10.665 -13.762 355 HH12 ARG 57 2HH1 ARG 57 -1.919 -12.189 -14.231 356 HH21 ARG 57 1HH2 ARG 57 -1.262 -13.169 -10.923 357 HH22 ARG 57 2HH2 ARG 57 -1.130 -13.619 -12.612 358 H TYR 58 H TYR 58 -3.441 -4.758 -8.510 359 HA TYR 58 HA TYR 58 -5.358 -3.047 -10.065 360 HB2 TYR 58 1HB TYR 58 -3.820 -2.309 -7.569 361 HB3 TYR 58 2HB TYR 58 -4.996 -1.303 -8.450 362 HD1 TYR 58 HD2 TYR 58 -7.415 -1.906 -8.395 363 HD2 TYR 58 HD1 TYR 58 -4.553 -3.961 -5.994 364 HE1 TYR 58 HE2 TYR 58 -9.247 -2.807 -7.003 365 HE2 TYR 58 HE1 TYR 58 -6.377 -4.874 -4.588 366 HH TYR 58 HH TYR 58 -9.803 -4.109 -5.218 367 H ASN 59 H ASN 59 -4.503 -2.261 -11.806 368 HA ASN 59 HA ASN 59 -1.546 -1.890 -11.925 369 HB2 ASN 59 1HB ASN 59 -3.479 -1.815 -14.359 370 HB3 ASN 59 2HB ASN 59 -1.736 -1.621 -14.048 371 HD21 ASN 59 2HD2 ASN 59 -4.323 -3.791 -14.545 372 HD22 ASN 59 1HD2 ASN 59 -3.426 -5.266 -14.403 373 H SER 60 H SER 60 -0.656 -0.025 -11.609 374 HA SER 60 HA SER 60 -2.218 2.511 -11.706 375 HB2 SER 60 1HB SER 60 -0.371 3.543 -10.857 376 HB3 SER 60 2HB SER 60 -0.703 2.063 -9.927 377 HG SER 60 HG SER 60 1.522 2.338 -10.394 378 H LEU 61 H LEU 61 -1.283 4.359 -12.870 379 HA LEU 61 HA LEU 61 -0.872 3.647 -15.679 380 HB2 LEU 61 1HB LEU 61 -0.886 6.167 -14.154 381 HB3 LEU 61 2HB LEU 61 -0.800 6.213 -15.930 382 HG LEU 61 HG LEU 61 -3.103 5.156 -14.243 383 HD11 LEU 61 1HD1 LEU 61 -4.372 7.055 -15.281 384 HD12 LEU 61 2HD1 LEU 61 -2.974 7.644 -14.352 385 HD13 LEU 61 3HD1 LEU 61 -2.892 7.562 -16.127 386 HD21 LEU 61 3HD2 LEU 61 -2.815 3.818 -16.244 387 HD22 LEU 61 1HD2 LEU 61 -4.277 4.822 -16.391 388 HD23 LEU 61 2HD2 LEU 61 -2.790 5.282 -17.256 389 HA PRO 62 HA PRO 62 3.412 3.704 -15.665 390 HB2 PRO 62 1HB PRO 62 3.730 3.850 -18.150 391 HB3 PRO 62 2HB PRO 62 3.134 2.524 -17.415 392 HG2 PRO 62 1HG PRO 62 1.796 4.278 -18.801 393 HG3 PRO 62 2HG PRO 62 1.580 2.661 -18.814 394 HD2 PRO 62 1HD PRO 62 0.021 3.975 -17.434 395 HD3 PRO 62 2HD PRO 62 0.579 2.547 -16.877 396 H GLY 63 H GLY 63 5.247 5.021 -15.897 397 HA2 GLY 63 1HA GLY 63 6.086 6.990 -17.244 398 HA3 GLY 63 2HA GLY 63 4.564 7.794 -16.798 399 H PHE 64 H PHE 64 5.916 5.726 -14.410 400 HA PHE 64 HA PHE 64 6.399 7.988 -12.617 401 HB2 PHE 64 1HB PHE 64 6.832 4.988 -12.294 402 HB3 PHE 64 2HB PHE 64 7.062 6.188 -11.003 403 HD1 PHE 64 HD2 PHE 64 4.963 7.797 -10.683 404 HD2 PHE 64 HD1 PHE 64 4.869 3.862 -12.342 405 HE1 PHE 64 HE2 PHE 64 2.576 7.599 -10.072 406 HE2 PHE 64 HE1 PHE 64 2.481 3.660 -11.734 407 HZ PHE 64 HZ PHE 64 1.335 5.530 -10.598 408 H PHE 65 H PHE 65 8.265 8.708 -11.736 409 HA PHE 65 HA PHE 65 10.736 7.947 -13.260 410 HB2 PHE 65 1HB PHE 65 10.039 10.549 -11.828 411 HB3 PHE 65 2HB PHE 65 11.567 10.204 -12.670 412 HD1 PHE 65 HD2 PHE 65 11.490 9.738 -15.146 413 HD2 PHE 65 HD1 PHE 65 8.214 11.399 -12.963 414 HE1 PHE 65 HE2 PHE 65 10.529 10.607 -17.252 415 HE2 PHE 65 HE1 PHE 65 7.249 12.265 -15.067 416 HZ PHE 65 HZ PHE 65 8.407 11.870 -17.212 417 H ASN 66 H ASN 66 9.259 7.257 -10.453 418 HA ASN 66 HA ASN 66 11.797 6.506 -9.177 419 HB2 ASN 66 1HB ASN 66 11.131 9.055 -8.308 420 HB3 ASN 66 2HB ASN 66 9.890 7.948 -7.670 421 HD21 ASN 66 2HD2 ASN 66 10.791 8.961 -5.666 422 HD22 ASN 66 1HD2 ASN 66 12.104 8.135 -4.893 423 H ARG 67 H ARG 67 11.622 4.936 -7.643 424 HA ARG 67 HA ARG 67 9.333 3.203 -7.933 425 HB2 ARG 67 1HB ARG 67 11.492 2.308 -7.566 426 HB3 ARG 67 2HB ARG 67 11.590 3.113 -5.981 427 HG2 ARG 67 1HG ARG 67 9.824 1.735 -5.099 428 HG3 ARG 67 2HG ARG 67 9.505 1.035 -6.705 429 HD2 ARG 67 1HD ARG 67 11.606 -0.087 -6.682 430 HD3 ARG 67 2HD ARG 67 12.048 0.699 -5.148 431 HE ARG 67 HE ARG 67 9.694 -0.914 -4.658 432 HH11 ARG 67 1HH1 ARG 67 13.038 -1.385 -5.528 433 HH12 ARG 67 2HH1 ARG 67 13.037 -2.937 -4.715 434 HH21 ARG 67 1HH2 ARG 67 9.675 -2.694 -3.730 435 HH22 ARG 67 2HH2 ARG 67 11.119 -3.686 -3.689 436 H LYS 68 H LYS 68 10.364 5.443 -5.383 437 HA LYS 68 HA LYS 68 8.388 4.774 -3.454 438 HB2 LYS 68 1HB LYS 68 10.306 6.249 -3.050 439 HB3 LYS 68 2HB LYS 68 9.572 7.476 -4.109 440 HG2 LYS 68 1HG LYS 68 7.688 7.714 -2.569 441 HG3 LYS 68 2HG LYS 68 8.356 6.435 -1.528 442 HD2 LYS 68 1HD LYS 68 10.338 7.806 -1.085 443 HD3 LYS 68 2HD LYS 68 9.714 9.076 -2.164 444 HE2 LYS 68 1HE LYS 68 7.756 9.356 -0.701 445 HE3 LYS 68 2HE LYS 68 8.386 8.093 0.380 446 HZ1 LYS 68 3HZ LYS 68 9.711 10.662 -0.208 447 HZ2 LYS 68 1HZ LYS 68 8.909 10.294 1.185 448 HZ3 LYS 68 2HZ LYS 68 10.296 9.491 0.795 449 H ALA 69 H ALA 69 8.244 7.222 -6.052 450 HA ALA 69 HA ALA 69 5.542 7.987 -5.484 451 HB1 ALA 69 3HB ALA 69 7.108 8.155 -8.080 452 HB2 ALA 69 1HB ALA 69 5.589 9.007 -7.724 453 HB3 ALA 69 2HB ALA 69 7.060 9.391 -6.801 454 H ALA 70 H ALA 70 6.945 5.467 -7.521 455 HA ALA 70 HA ALA 70 4.546 4.787 -8.918 456 HB1 ALA 70 3HB ALA 70 6.923 3.045 -8.184 457 HB2 ALA 70 1HB ALA 70 5.680 2.652 -9.393 458 HB3 ALA 70 2HB ALA 70 6.765 4.038 -9.652 459 H GLU 71 H GLU 71 5.938 3.567 -5.877 460 HA GLU 71 HA GLU 71 3.880 1.541 -5.533 461 HB2 GLU 71 1HB GLU 71 5.900 2.776 -3.659 462 HB3 GLU 71 2HB GLU 71 4.787 1.464 -3.201 463 HG2 GLU 71 1HG GLU 71 5.869 -0.032 -4.923 464 HG3 GLU 71 2HG GLU 71 6.826 1.394 -5.387 465 H GLN 72 H GLN 72 4.367 4.832 -4.305 466 HA GLN 72 HA GLN 72 2.130 4.837 -2.514 467 HB2 GLN 72 1HB GLN 72 3.917 6.530 -2.531 468 HB3 GLN 72 2HB GLN 72 3.345 7.099 -4.117 469 HG2 GLN 72 1HG GLN 72 1.061 7.807 -2.839 470 HG3 GLN 72 2HG GLN 72 2.021 7.044 -1.549 471 HE21 GLN 72 2HE2 GLN 72 1.028 9.570 -1.190 472 HE22 GLN 72 1HE2 GLN 72 2.315 10.728 -1.233 473 H SER 73 H SER 73 2.391 5.753 -5.944 474 HA SER 73 HA SER 73 -0.358 6.607 -6.296 475 HB2 SER 73 1HB SER 73 1.667 5.648 -8.223 476 HB3 SER 73 2HB SER 73 0.055 6.283 -8.622 477 HG SER 73 HG SER 73 1.842 7.726 -6.988 478 H ALA 74 H ALA 74 1.338 3.479 -6.702 479 HA ALA 74 HA ALA 74 -0.856 1.997 -7.727 480 HB1 ALA 74 3HB ALA 74 1.413 1.069 -5.934 481 HB2 ALA 74 1HB ALA 74 0.343 0.015 -6.886 482 HB3 ALA 74 2HB ALA 74 1.444 1.144 -7.712 483 H ALA 75 H ALA 75 0.155 2.577 -4.358 484 HA ALA 75 HA ALA 75 -1.952 1.086 -3.146 485 HB1 ALA 75 3HB ALA 75 -0.492 3.546 -2.125 486 HB2 ALA 75 1HB ALA 75 -1.481 2.442 -1.142 487 HB3 ALA 75 2HB ALA 75 0.017 1.856 -1.902 488 H GLU 76 H GLU 76 -1.783 4.449 -4.260 489 HA GLU 76 HA GLU 76 -4.335 5.289 -3.279 490 HB2 GLU 76 1HB GLU 76 -2.606 6.791 -4.168 491 HB3 GLU 76 2HB GLU 76 -2.874 6.114 -5.793 492 HG2 GLU 76 1HG GLU 76 -5.249 7.028 -5.732 493 HG3 GLU 76 2HG GLU 76 -4.843 7.590 -4.094 494 H VAL 77 H VAL 77 -3.422 3.794 -6.382 495 HA VAL 77 HA VAL 77 -6.075 3.822 -7.518 496 HB VAL 77 HB VAL 77 -3.708 1.962 -7.990 497 HG11 VAL 77 1HG1 VAL 77 -4.890 1.316 -10.063 498 HG12 VAL 77 2HG1 VAL 77 -5.841 0.882 -8.623 499 HG13 VAL 77 3HG1 VAL 77 -6.282 2.315 -9.582 500 HG21 VAL 77 3HG2 VAL 77 -3.247 4.271 -8.560 501 HG22 VAL 77 1HG2 VAL 77 -3.391 3.274 -10.026 502 HG23 VAL 77 2HG2 VAL 77 -4.729 4.345 -9.544 503 H ALA 78 H ALA 78 -4.401 1.391 -5.544 504 HA ALA 78 HA ALA 78 -6.560 -0.498 -5.644 505 HB1 ALA 78 3HB ALA 78 -4.403 -0.109 -3.542 506 HB2 ALA 78 1HB ALA 78 -5.450 -1.537 -3.706 507 HB3 ALA 78 2HB ALA 78 -4.285 -1.137 -4.990 508 H LEU 79 H LEU 79 -5.799 2.184 -3.458 509 HA LEU 79 HA LEU 79 -7.910 1.617 -1.574 510 HB2 LEU 79 1HB LEU 79 -6.420 4.018 -2.387 511 HB3 LEU 79 2HB LEU 79 -7.548 4.144 -1.017 512 HG LEU 79 HG LEU 79 -5.175 2.247 -1.112 513 HD11 LEU 79 1HD1 LEU 79 -4.065 3.852 0.465 514 HD12 LEU 79 2HD1 LEU 79 -4.400 4.617 -1.107 515 HD13 LEU 79 3HD1 LEU 79 -5.450 4.956 0.290 516 HD21 LEU 79 3HD2 LEU 79 -6.971 1.534 0.353 517 HD22 LEU 79 1HD2 LEU 79 -5.570 2.055 1.319 518 HD23 LEU 79 2HD2 LEU 79 -6.986 3.122 1.156 519 H ARG 80 H ARG 80 -7.741 3.626 -4.493 520 HA ARG 80 HA ARG 80 -10.353 4.788 -4.202 521 HB2 ARG 80 1HB ARG 80 -8.640 4.352 -6.602 522 HB3 ARG 80 2HB ARG 80 -10.223 5.165 -6.629 523 HG2 ARG 80 1HG ARG 80 -9.376 6.862 -5.062 524 HG3 ARG 80 2HG ARG 80 -7.792 6.050 -5.043 525 HD2 ARG 80 1HD ARG 80 -7.585 6.493 -7.441 526 HD3 ARG 80 2HD ARG 80 -9.117 7.396 -7.374 527 HE ARG 80 HE ARG 80 -6.514 8.475 -6.454 528 HH11 ARG 80 1HH1 ARG 80 -9.979 8.775 -6.208 529 HH12 ARG 80 2HH1 ARG 80 -9.802 10.424 -5.639 530 HH21 ARG 80 1HH2 ARG 80 -6.295 10.364 -5.811 531 HH22 ARG 80 2HH2 ARG 80 -7.701 11.331 -5.413 532 H GLU 81 H GLU 81 -9.232 1.796 -5.736 533 HA GLU 81 HA GLU 81 -11.912 1.043 -6.621 534 HB2 GLU 81 1HB GLU 81 -9.341 -0.496 -6.251 535 HB3 GLU 81 2HB GLU 81 -10.849 -1.208 -6.873 536 HG2 GLU 81 1HG GLU 81 -9.235 1.029 -8.243 537 HG3 GLU 81 2HG GLU 81 -9.350 -0.702 -8.637 538 H LEU 82 H LEU 82 -9.946 0.489 -3.747 539 HA LEU 82 HA LEU 82 -11.600 -1.532 -2.573 540 HB2 LEU 82 1HB LEU 82 -9.421 -1.009 -1.928 541 HB3 LEU 82 2HB LEU 82 -9.821 0.581 -1.237 542 HG LEU 82 HG LEU 82 -11.346 -0.591 0.382 543 HD11 LEU 82 1HD1 LEU 82 -10.993 -3.053 0.709 544 HD12 LEU 82 2HD1 LEU 82 -11.633 -2.701 -0.914 545 HD13 LEU 82 3HD1 LEU 82 -9.905 -3.068 -0.699 546 HD21 LEU 82 3HD2 LEU 82 -9.139 0.153 1.056 547 HD22 LEU 82 1HD2 LEU 82 -9.532 -1.388 1.857 548 HD23 LEU 82 2HD2 LEU 82 -8.416 -1.364 0.469 549 H ALA 83 H ALA 83 -11.797 1.997 -2.540 550 HA ALA 83 HA ALA 83 -13.837 2.163 -0.537 551 HB1 ALA 83 3HB ALA 83 -13.212 4.046 -2.837 552 HB2 ALA 83 1HB ALA 83 -14.224 4.428 -1.426 553 HB3 ALA 83 2HB ALA 83 -12.488 4.098 -1.212 554 H LYS 84 H LYS 84 -13.918 1.114 -3.804 555 HA LYS 84 HA LYS 84 -16.735 1.829 -4.254 556 HB2 LYS 84 1HB LYS 84 -14.787 0.101 -5.788 557 HB3 LYS 84 2HB LYS 84 -16.445 0.483 -6.312 558 HG2 LYS 84 1HG LYS 84 -15.867 2.875 -6.403 559 HG3 LYS 84 2HG LYS 84 -14.210 2.494 -5.877 560 HD2 LYS 84 1HD LYS 84 -13.887 1.117 -7.896 561 HD3 LYS 84 2HD LYS 84 -15.540 1.512 -8.425 562 HE2 LYS 84 1HE LYS 84 -14.954 3.888 -8.525 563 HE3 LYS 84 2HE LYS 84 -13.308 3.515 -7.965 564 HZ1 LYS 84 3HZ LYS 84 -14.518 2.570 -10.485 565 HZ2 LYS 84 1HZ LYS 84 -13.399 3.774 -10.351 566 HZ3 LYS 84 2HZ LYS 84 -12.990 2.223 -9.965 567 H SER 85 H SER 85 -15.197 -0.532 -2.472 568 HA SER 85 HA SER 85 -16.976 -2.816 -2.914 569 HB2 SER 85 1HB SER 85 -16.038 -3.766 -1.095 570 HB3 SER 85 2HB SER 85 -14.750 -2.955 -2.015 571 HG SER 85 HG SER 85 -14.587 -2.602 0.242 572 H SER 86 H SER 86 -17.274 0.256 -1.327 573 HA SER 86 HA SER 86 -19.072 -0.309 0.841 574 HB2 SER 86 1HB SER 86 -17.966 1.724 0.654 575 HB3 SER 86 2HB SER 86 -18.833 2.104 -0.851 576 HG SER 86 HG SER 86 -20.778 1.986 0.362 Start of MODEL 8 1 H PHE 16 H PHE 16 2.458 3.910 -0.341 2 HA PHE 16 HA PHE 16 -0.141 2.455 0.542 3 HB2 PHE 16 1HB PHE 16 0.314 0.364 -0.649 4 HB3 PHE 16 2HB PHE 16 0.514 1.731 -1.769 5 HD1 PHE 16 HD2 PHE 16 2.691 2.366 -2.585 6 HD2 PHE 16 HD1 PHE 16 2.173 -0.972 0.032 7 HE1 PHE 16 HE2 PHE 16 4.949 1.553 -3.178 8 HE2 PHE 16 HE1 PHE 16 4.431 -1.786 -0.557 9 HZ PHE 16 HZ PHE 16 5.820 -0.523 -2.163 10 H LYS 17 H LYS 17 3.306 2.310 1.097 11 HA LYS 17 HA LYS 17 3.380 0.069 2.859 12 HB2 LYS 17 1HB LYS 17 5.012 2.611 2.820 13 HB3 LYS 17 2HB LYS 17 5.381 1.183 3.816 14 HG2 LYS 17 1HG LYS 17 5.644 -0.167 1.763 15 HG3 LYS 17 2HG LYS 17 5.306 1.277 0.780 16 HD2 LYS 17 1HD LYS 17 7.279 2.394 1.781 17 HD3 LYS 17 2HD LYS 17 7.629 0.912 2.702 18 HE2 LYS 17 1HE LYS 17 7.889 -0.336 0.604 19 HE3 LYS 17 2HE LYS 17 7.528 1.139 -0.322 20 HZ1 LYS 17 3HZ LYS 17 9.835 0.768 1.480 21 HZ2 LYS 17 1HZ LYS 17 9.891 0.741 -0.168 22 HZ3 LYS 17 2HZ LYS 17 9.500 2.136 0.622 23 H SER 18 H SER 18 2.918 -0.294 4.903 24 HA SER 18 HA SER 18 2.282 0.192 7.174 25 HB2 SER 18 1HB SER 18 3.827 1.977 7.078 26 HB3 SER 18 2HB SER 18 2.569 3.030 6.391 27 HG SER 18 HG SER 18 1.340 2.618 8.284 28 H ARG 19 H ARG 19 0.885 2.874 5.249 29 HA ARG 19 HA ARG 19 -1.573 2.854 6.696 30 HB2 ARG 19 1HB ARG 19 -0.761 4.782 5.543 31 HB3 ARG 19 2HB ARG 19 -1.019 3.969 3.982 32 HG2 ARG 19 1HG ARG 19 -3.431 3.866 4.429 33 HG3 ARG 19 2HG ARG 19 -3.177 4.671 5.997 34 HD2 ARG 19 1HD ARG 19 -2.372 6.642 4.847 35 HD3 ARG 19 2HD ARG 19 -2.638 5.836 3.283 36 HE ARG 19 HE ARG 19 -5.173 6.033 4.733 37 HH11 ARG 19 1HH1 ARG 19 -2.903 8.007 2.970 38 HH12 ARG 19 2HH1 ARG 19 -4.200 9.090 2.502 39 HH21 ARG 19 1HH2 ARG 19 -6.667 7.269 4.212 40 HH22 ARG 19 2HH2 ARG 19 -6.346 8.670 3.209 41 H LEU 20 H LEU 20 -0.990 1.750 3.339 42 HA LEU 20 HA LEU 20 -3.651 0.658 3.093 43 HB2 LEU 20 1HB LEU 20 -2.312 1.425 1.328 44 HB3 LEU 20 2HB LEU 20 -1.125 0.105 1.440 45 HG LEU 20 HG LEU 20 -3.000 -1.513 0.996 46 HD11 LEU 20 1HD1 LEU 20 -5.091 -0.580 -0.030 47 HD12 LEU 20 2HD1 LEU 20 -4.883 -0.010 1.642 48 HD13 LEU 20 3HD1 LEU 20 -4.490 1.066 0.279 49 HD21 LEU 20 3HD2 LEU 20 -1.455 -0.871 -0.758 50 HD22 LEU 20 1HD2 LEU 20 -3.088 -1.077 -1.434 51 HD23 LEU 20 2HD2 LEU 20 -2.444 0.557 -1.147 52 H GLN 21 H GLN 21 -0.519 -0.741 3.961 53 HA GLN 21 HA GLN 21 -1.341 -3.475 3.997 54 HB2 GLN 21 1HB GLN 21 0.683 -1.950 5.645 55 HB3 GLN 21 2HB GLN 21 0.478 -3.717 5.712 56 HG2 GLN 21 1HG GLN 21 1.191 -3.731 3.103 57 HG3 GLN 21 2HG GLN 21 1.152 -1.995 3.490 58 HE21 GLN 21 2HE2 GLN 21 3.378 -3.405 2.397 59 HE22 GLN 21 1HE2 GLN 21 4.663 -3.346 3.557 60 H GLU 22 H GLU 22 -1.538 -0.955 6.492 61 HA GLU 22 HA GLU 22 -2.649 -2.697 8.515 62 HB2 GLU 22 1HB GLU 22 -1.585 -0.526 8.976 63 HB3 GLU 22 2HB GLU 22 -2.929 0.290 8.141 64 HG2 GLU 22 1HG GLU 22 -4.518 -0.592 9.916 65 HG3 GLU 22 2HG GLU 22 -3.093 -1.411 10.593 66 H TYR 23 H TYR 23 -4.112 -0.594 6.051 67 HA TYR 23 HA TYR 23 -6.836 -1.025 6.736 68 HB2 TYR 23 1HB TYR 23 -5.462 -0.636 4.074 69 HB3 TYR 23 2HB TYR 23 -7.230 -0.712 4.271 70 HD1 TYR 23 HD1 TYR 23 -6.534 0.745 7.182 71 HD2 TYR 23 HD2 TYR 23 -6.112 1.666 3.040 72 HE1 TYR 23 HE1 TYR 23 -6.579 3.163 7.723 73 HE2 TYR 23 HE2 TYR 23 -6.155 4.082 3.562 74 HH TYR 23 HH TYR 23 -6.487 5.281 6.911 75 H ALA 24 H ALA 24 -4.705 -2.951 4.618 76 HA ALA 24 HA ALA 24 -6.586 -4.942 3.933 77 HB1 ALA 24 3HB ALA 24 -3.605 -5.239 4.426 78 HB2 ALA 24 1HB ALA 24 -4.636 -6.400 3.557 79 HB3 ALA 24 2HB ALA 24 -4.373 -4.771 2.891 80 H GLN 25 H GLN 25 -4.462 -4.716 6.780 81 HA GLN 25 HA GLN 25 -5.194 -7.256 7.894 82 HB2 GLN 25 1HB GLN 25 -4.205 -4.685 9.136 83 HB3 GLN 25 2HB GLN 25 -4.453 -6.190 10.052 84 HG2 GLN 25 1HG GLN 25 -2.560 -7.280 8.463 85 HG3 GLN 25 2HG GLN 25 -2.753 -5.649 7.779 86 HE21 GLN 25 2HE2 GLN 25 -0.291 -6.751 8.644 87 HE22 GLN 25 1HE2 GLN 25 0.266 -5.829 10.000 88 H LYS 26 H LYS 26 -6.672 -4.064 8.093 89 HA LYS 26 HA LYS 26 -8.481 -4.641 10.241 90 HB2 LYS 26 1HB LYS 26 -8.613 -2.746 7.897 91 HB3 LYS 26 2HB LYS 26 -9.862 -2.827 9.162 92 HG2 LYS 26 1HG LYS 26 -8.189 -2.234 10.864 93 HG3 LYS 26 2HG LYS 26 -6.931 -2.167 9.607 94 HD2 LYS 26 1HD LYS 26 -8.164 -0.354 8.476 95 HD3 LYS 26 2HD LYS 26 -9.408 -0.414 9.747 96 HE2 LYS 26 1HE LYS 26 -7.711 0.161 11.433 97 HE3 LYS 26 2HE LYS 26 -6.474 0.237 10.157 98 HZ1 LYS 26 3HZ LYS 26 -8.856 1.968 10.339 99 HZ2 LYS 26 1HZ LYS 26 -7.313 2.417 10.711 100 HZ3 LYS 26 2HZ LYS 26 -7.709 2.038 9.156 101 H TYR 27 H TYR 27 -8.530 -5.472 6.848 102 HA TYR 27 HA TYR 27 -11.314 -6.534 7.181 103 HB2 TYR 27 1HB TYR 27 -9.733 -5.904 4.681 104 HB3 TYR 27 2HB TYR 27 -11.385 -6.564 4.737 105 HD1 TYR 27 HD2 TYR 27 -13.155 -5.120 5.987 106 HD2 TYR 27 HD1 TYR 27 -9.428 -3.584 4.594 107 HE1 TYR 27 HE2 TYR 27 -14.077 -2.829 6.075 108 HE2 TYR 27 HE1 TYR 27 -10.338 -1.281 4.676 109 HH TYR 27 HH TYR 27 -13.680 -0.614 5.727 110 H LYS 28 H LYS 28 -8.635 -7.725 7.997 111 HA LYS 28 HA LYS 28 -7.681 -9.847 7.998 112 HB2 LYS 28 1HB LYS 28 -10.467 -10.612 7.112 113 HB3 LYS 28 2HB LYS 28 -9.233 -11.712 7.771 114 HG2 LYS 28 1HG LYS 28 -9.286 -10.454 9.906 115 HG3 LYS 28 2HG LYS 28 -10.571 -9.417 9.244 116 HD2 LYS 28 1HD LYS 28 -11.988 -11.436 8.925 117 HD3 LYS 28 2HD LYS 28 -10.716 -12.418 9.689 118 HE2 LYS 28 1HE LYS 28 -10.930 -11.131 11.753 119 HE3 LYS 28 2HE LYS 28 -12.155 -10.089 10.995 120 HZ1 LYS 28 3HZ LYS 28 -12.432 -12.985 11.479 121 HZ2 LYS 28 1HZ LYS 28 -13.158 -11.793 12.357 122 HZ3 LYS 28 2HZ LYS 28 -13.569 -12.018 10.775 123 H LEU 29 H LEU 29 -7.369 -8.304 5.603 124 HA LEU 29 HA LEU 29 -7.526 -10.313 3.428 125 HB2 LEU 29 1HB LEU 29 -6.487 -7.560 3.614 126 HB3 LEU 29 2HB LEU 29 -6.569 -8.393 2.043 127 HG LEU 29 HG LEU 29 -8.913 -7.557 3.794 128 HD11 LEU 29 1HD1 LEU 29 -9.475 -6.074 1.850 129 HD12 LEU 29 2HD1 LEU 29 -7.868 -5.691 2.512 130 HD13 LEU 29 3HD1 LEU 29 -8.010 -6.641 1.014 131 HD21 LEU 29 3HD2 LEU 29 -9.364 -9.686 2.727 132 HD22 LEU 29 1HD2 LEU 29 -10.346 -8.409 1.971 133 HD23 LEU 29 2HD2 LEU 29 -8.895 -9.026 1.143 134 HA PRO 30 HA PRO 30 -3.525 -11.774 3.662 135 HB2 PRO 30 1HB PRO 30 -2.949 -11.917 1.211 136 HB3 PRO 30 2HB PRO 30 -4.031 -12.897 1.936 137 HG2 PRO 30 1HG PRO 30 -4.550 -10.889 0.359 138 HG3 PRO 30 2HG PRO 30 -5.322 -12.325 0.389 139 HD2 PRO 30 1HD PRO 30 -6.360 -10.373 1.497 140 HD3 PRO 30 2HD PRO 30 -6.450 -11.860 2.159 141 H THR 31 H THR 31 -1.282 -11.313 3.501 142 HA THR 31 HA THR 31 -0.684 -8.548 3.730 143 HB THR 31 HB THR 31 1.204 -10.797 2.913 144 HG1 THR 31 HG1 THR 31 0.513 -9.765 5.491 145 HG21 THR 31 1HG2 THR 31 2.943 -9.340 3.889 146 HG22 THR 31 2HG2 THR 31 2.120 -8.534 2.532 147 HG23 THR 31 3HG2 THR 31 1.718 -8.090 4.208 148 HA PRO 32 HA PRO 32 -0.974 -7.158 -0.353 149 HB2 PRO 32 1HB PRO 32 0.482 -5.168 0.823 150 HB3 PRO 32 2HB PRO 32 -0.883 -5.098 -0.063 151 HG2 PRO 32 1HG PRO 32 -0.701 -5.540 2.499 152 HG3 PRO 32 2HG PRO 32 -1.825 -4.627 1.749 153 HD2 PRO 32 1HD PRO 32 0.087 -6.895 3.321 154 HD3 PRO 32 2HD PRO 32 -1.443 -6.579 2.852 155 H VAL 33 H VAL 33 0.192 -7.376 -2.186 156 HA VAL 33 HA VAL 33 3.150 -7.802 -1.770 157 HB VAL 33 HB VAL 33 1.295 -9.065 -3.832 158 HG11 VAL 33 1HG1 VAL 33 3.300 -10.362 -4.472 159 HG12 VAL 33 2HG1 VAL 33 3.566 -8.618 -4.699 160 HG13 VAL 33 3HG1 VAL 33 4.268 -9.449 -3.290 161 HG21 VAL 33 3HG2 VAL 33 0.951 -10.020 -1.633 162 HG22 VAL 33 1HG2 VAL 33 1.788 -11.172 -2.699 163 HG23 VAL 33 2HG2 VAL 33 2.701 -10.287 -1.454 164 H TYR 34 H TYR 34 4.513 -6.575 -2.732 165 HA TYR 34 HA TYR 34 3.409 -4.638 -4.739 166 HB2 TYR 34 1HB TYR 34 4.186 -3.555 -2.748 167 HB3 TYR 34 2HB TYR 34 5.716 -4.463 -2.798 168 HD1 TYR 34 HD1 TYR 34 3.717 -1.905 -4.640 169 HD2 TYR 34 HD2 TYR 34 7.570 -3.610 -3.985 170 HE1 TYR 34 HE1 TYR 34 4.738 -0.096 -5.991 171 HE2 TYR 34 HE2 TYR 34 8.605 -1.813 -5.329 172 HH TYR 34 HH TYR 34 8.257 0.075 -6.555 173 H GLU 35 H GLU 35 3.976 -4.806 -6.745 174 HA GLU 35 HA GLU 35 6.628 -6.074 -7.365 175 HB2 GLU 35 1HB GLU 35 4.040 -6.116 -8.924 176 HB3 GLU 35 2HB GLU 35 5.611 -6.687 -9.540 177 HG2 GLU 35 1HG GLU 35 5.620 -8.425 -7.644 178 HG3 GLU 35 2HG GLU 35 4.029 -7.745 -7.236 179 H ILE 36 H ILE 36 8.013 -5.066 -8.636 180 HA ILE 36 HA ILE 36 7.171 -2.372 -9.681 181 HB ILE 36 HB ILE 36 8.820 -2.199 -7.819 182 HG12 ILE 36 1HG1 ILE 36 10.139 -1.626 -10.456 183 HG13 ILE 36 2HG1 ILE 36 8.787 -0.678 -9.794 184 HG21 ILE 36 1HG2 ILE 36 11.094 -3.116 -8.131 185 HG22 ILE 36 2HG2 ILE 36 9.879 -4.415 -8.098 186 HG23 ILE 36 3HG2 ILE 36 10.575 -3.888 -9.648 187 HD11 ILE 36 3HD1 ILE 36 11.498 -1.065 -8.478 188 HD12 ILE 36 1HD1 ILE 36 10.948 0.404 -9.318 189 HD13 ILE 36 2HD1 ILE 36 10.146 -0.117 -7.817 190 H VAL 37 H VAL 37 7.391 -1.875 -11.690 191 HA VAL 37 HA VAL 37 8.917 -3.795 -13.447 192 HB VAL 37 HB VAL 37 6.367 -2.255 -14.088 193 HG11 VAL 37 1HG1 VAL 37 6.463 -3.487 -16.230 194 HG12 VAL 37 2HG1 VAL 37 7.902 -2.462 -16.015 195 HG13 VAL 37 3HG1 VAL 37 8.009 -4.217 -15.739 196 HG21 VAL 37 3HG2 VAL 37 5.915 -4.135 -12.628 197 HG22 VAL 37 1HG2 VAL 37 5.315 -4.452 -14.272 198 HG23 VAL 37 2HG2 VAL 37 6.821 -5.218 -13.712 199 H LYS 38 H LYS 38 10.536 -3.049 -14.484 200 HA LYS 38 HA LYS 38 10.521 -0.139 -15.213 201 HB2 LYS 38 1HB LYS 38 12.083 -0.611 -13.367 202 HB3 LYS 38 2HB LYS 38 12.891 -1.824 -14.390 203 HG2 LYS 38 1HG LYS 38 13.524 -0.063 -15.985 204 HG3 LYS 38 2HG LYS 38 12.708 1.152 -14.973 205 HD2 LYS 38 1HD LYS 38 14.244 0.620 -13.113 206 HD3 LYS 38 2HD LYS 38 15.069 -0.571 -14.145 207 HE2 LYS 38 1HE LYS 38 15.719 1.189 -15.705 208 HE3 LYS 38 2HE LYS 38 14.836 2.395 -14.739 209 HZ1 LYS 38 3HZ LYS 38 17.166 0.836 -13.821 210 HZ2 LYS 38 1HZ LYS 38 17.191 2.425 -14.264 211 HZ3 LYS 38 2HZ LYS 38 16.349 1.953 -12.925 212 H GLU 39 H GLU 39 10.484 0.205 -17.274 213 HA GLU 39 HA GLU 39 11.841 -1.752 -19.086 214 HB2 GLU 39 1HB GLU 39 9.066 -0.598 -19.410 215 HB3 GLU 39 2HB GLU 39 9.955 -1.515 -20.652 216 HG2 GLU 39 1HG GLU 39 9.936 -3.534 -19.080 217 HG3 GLU 39 2HG GLU 39 9.048 -2.467 -17.968 218 H GLY 40 H GLY 40 12.509 -0.967 -21.085 219 HA2 GLY 40 1HA GLY 40 12.542 0.824 -22.734 220 HA3 GLY 40 2HA GLY 40 12.334 1.997 -21.413 221 HA PRO 41 HA PRO 41 16.777 1.667 -22.448 222 HB2 PRO 41 1HB PRO 41 17.091 4.106 -22.954 223 HB3 PRO 41 2HB PRO 41 16.521 3.043 -24.050 224 HG2 PRO 41 1HG PRO 41 15.148 4.833 -22.747 225 HG3 PRO 41 2HG PRO 41 14.963 4.419 -24.314 226 HD2 PRO 41 1HD PRO 41 13.384 3.433 -22.700 227 HD3 PRO 41 2HD PRO 41 13.962 2.522 -23.923 228 H SER 42 H SER 42 18.601 2.269 -21.229 229 HA SER 42 HA SER 42 18.096 2.821 -18.436 230 HB2 SER 42 1HB SER 42 20.357 2.897 -18.149 231 HB3 SER 42 2HB SER 42 19.943 1.566 -19.253 232 HG SER 42 HG SER 42 20.949 4.112 -20.003 233 H HIS 43 H HIS 43 18.437 4.865 -21.245 234 HA HIS 43 HA HIS 43 19.156 7.246 -19.638 235 HB2 HIS 43 1HB HIS 43 18.624 6.857 -22.617 236 HB3 HIS 43 2HB HIS 43 19.057 8.410 -21.865 237 HD2 HIS 43 HD2 HIS 43 20.874 5.479 -23.568 238 HE1 HIS 43 HE1 HIS 43 23.670 7.446 -21.045 239 HE2 HIS 43 HE2 HIS 43 23.296 5.714 -22.986 240 H LYS 44 H LYS 44 16.361 5.863 -21.284 241 HA LYS 44 HA LYS 44 14.691 7.838 -19.777 242 HB2 LYS 44 1HB LYS 44 14.304 6.919 -22.629 243 HB3 LYS 44 2HB LYS 44 13.113 7.834 -21.676 244 HG2 LYS 44 1HG LYS 44 14.745 9.696 -21.480 245 HG3 LYS 44 2HG LYS 44 15.873 8.786 -22.514 246 HD2 LYS 44 1HD LYS 44 14.219 8.803 -24.338 247 HD3 LYS 44 2HD LYS 44 13.088 9.707 -23.305 248 HE2 LYS 44 1HE LYS 44 14.692 11.561 -23.160 249 HE3 LYS 44 2HE LYS 44 15.833 10.657 -24.182 250 HZ1 LYS 44 3HZ LYS 44 13.152 11.575 -25.003 251 HZ2 LYS 44 1HZ LYS 44 14.581 12.264 -25.453 252 HZ3 LYS 44 2HZ LYS 44 14.210 10.736 -25.951 253 H SER 45 H SER 45 14.708 6.049 -18.245 254 HA SER 45 HA SER 45 13.340 3.520 -18.981 255 HB2 SER 45 1HB SER 45 14.392 4.549 -16.418 256 HB3 SER 45 2HB SER 45 13.602 2.978 -16.682 257 HG SER 45 HG SER 45 15.936 3.918 -17.994 258 H LEU 46 H LEU 46 11.239 3.070 -18.694 259 HA LEU 46 HA LEU 46 9.525 5.069 -17.285 260 HB2 LEU 46 1HB LEU 46 8.986 2.728 -18.993 261 HB3 LEU 46 2HB LEU 46 7.634 3.681 -18.338 262 HG LEU 46 HG LEU 46 9.737 4.602 -20.335 263 HD11 LEU 46 1HD1 LEU 46 7.759 4.872 -21.855 264 HD12 LEU 46 2HD1 LEU 46 7.926 3.189 -21.303 265 HD13 LEU 46 3HD1 LEU 46 6.703 4.252 -20.566 266 HD21 LEU 46 3HD2 LEU 46 9.211 6.394 -18.787 267 HD22 LEU 46 1HD2 LEU 46 8.505 6.744 -20.384 268 HD23 LEU 46 2HD2 LEU 46 7.468 6.158 -19.061 269 H PHE 47 H PHE 47 8.514 4.705 -15.451 270 HA PHE 47 HA PHE 47 8.982 2.028 -14.174 271 HB2 PHE 47 1HB PHE 47 8.747 4.805 -12.937 272 HB3 PHE 47 2HB PHE 47 8.802 3.290 -12.008 273 HD1 PHE 47 HD2 PHE 47 10.832 2.005 -11.840 274 HD2 PHE 47 HD1 PHE 47 10.696 5.683 -14.007 275 HE1 PHE 47 HE2 PHE 47 13.301 2.106 -11.817 276 HE2 PHE 47 HE1 PHE 47 13.165 5.787 -13.989 277 HZ PHE 47 HZ PHE 47 14.469 3.999 -12.894 278 H GLN 48 H GLN 48 7.345 0.820 -13.640 279 HA GLN 48 HA GLN 48 4.790 2.124 -12.874 280 HB2 GLN 48 1HB GLN 48 4.735 1.477 -15.322 281 HB3 GLN 48 2HB GLN 48 4.896 -0.211 -14.783 282 HG2 GLN 48 1HG GLN 48 2.543 0.141 -13.504 283 HG3 GLN 48 2HG GLN 48 2.877 1.762 -14.158 284 HE21 GLN 48 2HE2 GLN 48 0.480 0.514 -14.678 285 HE22 GLN 48 1HE2 GLN 48 0.406 0.054 -16.346 286 H SER 49 H SER 49 3.581 1.051 -11.401 287 HA SER 49 HA SER 49 4.900 -1.380 -10.148 288 HB2 SER 49 1HB SER 49 3.936 1.048 -8.762 289 HB3 SER 49 2HB SER 49 4.454 -0.483 -8.020 290 HG SER 49 HG SER 49 6.231 0.776 -8.039 291 H THR 50 H THR 50 3.516 -2.771 -9.051 292 HA THR 50 HA THR 50 0.581 -2.225 -9.268 293 HB THR 50 HB THR 50 1.928 -4.881 -9.915 294 HG1 THR 50 HG1 THR 50 0.397 -3.299 -11.704 295 HG21 THR 50 1HG2 THR 50 -0.355 -5.589 -10.535 296 HG22 THR 50 2HG2 THR 50 -0.275 -5.113 -8.821 297 HG23 THR 50 3HG2 THR 50 -0.985 -4.006 -10.020 298 H VAL 51 H VAL 51 -0.517 -2.514 -7.494 299 HA VAL 51 HA VAL 51 0.734 -4.117 -5.272 300 HB VAL 51 HB VAL 51 -1.538 -2.086 -5.211 301 HG11 VAL 51 1HG1 VAL 51 -1.348 -2.326 -2.757 302 HG12 VAL 51 2HG1 VAL 51 -1.775 -3.876 -3.522 303 HG13 VAL 51 3HG1 VAL 51 -0.106 -3.581 -2.976 304 HG21 VAL 51 3HG2 VAL 51 0.595 -1.011 -5.619 305 HG22 VAL 51 1HG2 VAL 51 0.021 -0.670 -3.970 306 HG23 VAL 51 2HG2 VAL 51 1.313 -1.867 -4.232 307 H ILE 52 H ILE 52 0.046 -5.991 -4.748 308 HA ILE 52 HA ILE 52 -2.601 -6.878 -5.870 309 HB ILE 52 HB ILE 52 -0.130 -8.510 -5.124 310 HG12 ILE 52 1HG1 ILE 52 -1.364 -8.038 -7.824 311 HG13 ILE 52 2HG1 ILE 52 0.046 -7.163 -7.182 312 HG21 ILE 52 1HG2 ILE 52 -1.396 -10.419 -6.054 313 HG22 ILE 52 2HG2 ILE 52 -2.243 -9.706 -4.661 314 HG23 ILE 52 3HG2 ILE 52 -2.802 -9.360 -6.314 315 HD11 ILE 52 3HD1 ILE 52 -0.119 -10.159 -7.665 316 HD12 ILE 52 1HD1 ILE 52 0.739 -8.985 -8.689 317 HD13 ILE 52 2HD1 ILE 52 1.291 -9.284 -7.023 318 H LEU 53 H LEU 53 -4.189 -7.164 -4.595 319 HA LEU 53 HA LEU 53 -3.682 -8.109 -1.823 320 HB2 LEU 53 1HB LEU 53 -3.599 -5.824 -1.673 321 HB3 LEU 53 2HB LEU 53 -5.131 -5.497 -2.516 322 HG LEU 53 HG LEU 53 -6.302 -6.776 -0.674 323 HD11 LEU 53 1HD1 LEU 53 -5.050 -7.023 1.486 324 HD12 LEU 53 2HD1 LEU 53 -4.300 -7.984 0.191 325 HD13 LEU 53 3HD1 LEU 53 -3.577 -6.434 0.682 326 HD21 LEU 53 3HD2 LEU 53 -6.338 -4.353 -0.761 327 HD22 LEU 53 1HD2 LEU 53 -6.236 -4.899 0.930 328 HD23 LEU 53 2HD2 LEU 53 -4.788 -4.270 0.108 329 H ASP 54 H ASP 54 -4.854 -9.811 -1.518 330 HA ASP 54 HA ASP 54 -6.625 -11.311 -1.636 331 HB2 ASP 54 1HB ASP 54 -7.804 -9.053 -0.707 332 HB3 ASP 54 2HB ASP 54 -8.373 -9.099 -2.394 333 H GLY 55 H GLY 55 -5.112 -10.749 -4.016 334 HA2 GLY 55 1HA GLY 55 -5.207 -11.752 -6.121 335 HA3 GLY 55 2HA GLY 55 -6.927 -12.118 -5.850 336 H VAL 56 H VAL 56 -6.385 -8.904 -5.123 337 HA VAL 56 HA VAL 56 -7.391 -8.039 -7.825 338 HB VAL 56 HB VAL 56 -7.503 -6.607 -5.137 339 HG11 VAL 56 1HG1 VAL 56 -9.026 -5.064 -6.325 340 HG12 VAL 56 2HG1 VAL 56 -7.417 -5.091 -7.087 341 HG13 VAL 56 3HG1 VAL 56 -8.771 -5.974 -7.833 342 HG21 VAL 56 3HG2 VAL 56 -8.935 -8.562 -5.122 343 HG22 VAL 56 1HG2 VAL 56 -9.902 -7.071 -5.190 344 HG23 VAL 56 2HG2 VAL 56 -9.678 -8.053 -6.657 345 H ARG 57 H ARG 57 -6.213 -6.982 -9.151 346 HA ARG 57 HA ARG 57 -3.539 -6.073 -8.197 347 HB2 ARG 57 1HB ARG 57 -4.569 -6.551 -10.958 348 HB3 ARG 57 2HB ARG 57 -2.957 -5.925 -10.539 349 HG2 ARG 57 1HG ARG 57 -2.410 -7.997 -9.392 350 HG3 ARG 57 2HG ARG 57 -4.051 -8.622 -9.682 351 HD2 ARG 57 1HD ARG 57 -3.625 -8.610 -12.067 352 HD3 ARG 57 2HD ARG 57 -1.979 -8.007 -11.765 353 HE ARG 57 HE ARG 57 -2.225 -10.553 -10.418 354 HH11 ARG 57 1HH1 ARG 57 -2.267 -9.337 -13.686 355 HH12 ARG 57 2HH1 ARG 57 -1.601 -10.852 -14.264 356 HH21 ARG 57 1HH2 ARG 57 -1.471 -12.297 -11.067 357 HH22 ARG 57 2HH2 ARG 57 -1.148 -12.541 -12.772 358 H TYR 58 H TYR 58 -3.016 -4.060 -7.920 359 HA TYR 58 HA TYR 58 -4.769 -1.963 -9.160 360 HB2 TYR 58 1HB TYR 58 -2.954 -1.710 -6.759 361 HB3 TYR 58 2HB TYR 58 -4.100 -0.500 -7.387 362 HD1 TYR 58 HD2 TYR 58 -6.613 -1.449 -7.576 363 HD2 TYR 58 HD1 TYR 58 -3.638 -2.921 -4.900 364 HE1 TYR 58 HE2 TYR 58 -8.389 -2.360 -6.120 365 HE2 TYR 58 HE1 TYR 58 -5.406 -3.841 -3.428 366 HH TYR 58 HH TYR 58 -8.870 -3.496 -4.206 367 H ASN 59 H ASN 59 -3.822 -1.659 -11.088 368 HA ASN 59 HA ASN 59 -0.893 -1.372 -11.273 369 HB2 ASN 59 1HB ASN 59 -2.914 -1.016 -13.607 370 HB3 ASN 59 2HB ASN 59 -1.150 -0.987 -13.374 371 HD21 ASN 59 2HD2 ASN 59 -3.871 -2.877 -14.007 372 HD22 ASN 59 1HD2 ASN 59 -3.129 -4.439 -13.901 373 H SER 60 H SER 60 0.251 0.397 -11.196 374 HA SER 60 HA SER 60 -0.885 3.072 -10.848 375 HB2 SER 60 1HB SER 60 1.247 3.856 -10.861 376 HB3 SER 60 2HB SER 60 1.186 2.360 -9.900 377 HG SER 60 HG SER 60 2.119 2.597 -12.569 378 H LEU 61 H LEU 61 -0.451 4.857 -12.298 379 HA LEU 61 HA LEU 61 -1.119 4.278 -15.073 380 HB2 LEU 61 1HB LEU 61 -0.228 6.672 -13.607 381 HB3 LEU 61 2HB LEU 61 -0.748 6.827 -15.302 382 HG LEU 61 HG LEU 61 -2.469 5.961 -12.946 383 HD11 LEU 61 1HD1 LEU 61 -3.709 8.090 -13.417 384 HD12 LEU 61 2HD1 LEU 61 -2.006 8.411 -13.015 385 HD13 LEU 61 3HD1 LEU 61 -2.546 8.464 -14.710 386 HD21 LEU 61 3HD2 LEU 61 -3.086 4.765 -14.961 387 HD22 LEU 61 1HD2 LEU 61 -4.339 5.963 -14.559 388 HD23 LEU 61 2HD2 LEU 61 -3.182 6.290 -15.872 389 HA PRO 62 HA PRO 62 2.904 3.831 -16.541 390 HB2 PRO 62 1HB PRO 62 2.304 3.698 -18.965 391 HB3 PRO 62 2HB PRO 62 1.912 2.523 -17.906 392 HG2 PRO 62 1HG PRO 62 0.303 4.285 -18.953 393 HG3 PRO 62 2HG PRO 62 -0.025 2.710 -18.683 394 HD2 PRO 62 1HD PRO 62 -0.880 4.260 -16.981 395 HD3 PRO 62 2HD PRO 62 -0.235 2.844 -16.492 396 H GLY 63 H GLY 63 4.580 4.908 -17.666 397 HA2 GLY 63 1HA GLY 63 5.256 6.654 -19.197 398 HA3 GLY 63 2HA GLY 63 3.757 7.533 -18.818 399 H PHE 64 H PHE 64 5.353 6.073 -16.145 400 HA PHE 64 HA PHE 64 6.104 8.764 -15.127 401 HB2 PHE 64 1HB PHE 64 5.882 6.027 -13.808 402 HB3 PHE 64 2HB PHE 64 6.470 7.484 -12.975 403 HD1 PHE 64 HD1 PHE 64 4.335 9.127 -14.795 404 HD2 PHE 64 HD2 PHE 64 4.215 5.917 -11.978 405 HE1 PHE 64 HE1 PHE 64 2.011 9.732 -14.208 406 HE2 PHE 64 HE2 PHE 64 1.890 6.517 -11.390 407 HZ PHE 64 HZ PHE 64 0.789 8.427 -12.504 408 H PHE 65 H PHE 65 8.095 9.344 -14.397 409 HA PHE 65 HA PHE 65 10.334 7.660 -15.474 410 HB2 PHE 65 1HB PHE 65 10.153 10.682 -15.105 411 HB3 PHE 65 2HB PHE 65 11.597 9.798 -15.648 412 HD1 PHE 65 HD2 PHE 65 11.496 8.526 -17.802 413 HD2 PHE 65 HD1 PHE 65 8.491 11.312 -16.595 414 HE1 PHE 65 HE2 PHE 65 10.732 8.714 -20.146 415 HE2 PHE 65 HE1 PHE 65 7.722 11.502 -18.937 416 HZ PHE 65 HZ PHE 65 8.844 10.202 -20.713 417 H ASN 66 H ASN 66 8.897 7.774 -12.753 418 HA ASN 66 HA ASN 66 11.387 7.541 -11.189 419 HB2 ASN 66 1HB ASN 66 10.420 10.131 -10.958 420 HB3 ASN 66 2HB ASN 66 9.231 9.062 -10.176 421 HD21 ASN 66 2HD2 ASN 66 9.857 10.580 -8.396 422 HD22 ASN 66 1HD2 ASN 66 11.160 10.084 -7.368 423 H ARG 67 H ARG 67 11.200 6.378 -9.307 424 HA ARG 67 HA ARG 67 9.141 4.349 -9.400 425 HB2 ARG 67 1HB ARG 67 11.270 4.946 -7.403 426 HB3 ARG 67 2HB ARG 67 10.099 3.615 -7.250 427 HG2 ARG 67 1HG ARG 67 10.914 2.621 -9.319 428 HG3 ARG 67 2HG ARG 67 12.037 3.982 -9.554 429 HD2 ARG 67 1HD ARG 67 13.226 3.340 -7.547 430 HD3 ARG 67 2HD ARG 67 12.106 1.975 -7.323 431 HE ARG 67 HE ARG 67 13.398 1.585 -9.869 432 HH11 ARG 67 1HH1 ARG 67 14.346 1.749 -6.517 433 HH12 ARG 67 2HH1 ARG 67 15.669 0.645 -6.831 434 HH21 ARG 67 1HH2 ARG 67 14.914 0.326 -10.246 435 HH22 ARG 67 2HH2 ARG 67 15.996 -0.168 -8.958 436 H LYS 68 H LYS 68 9.648 7.229 -7.408 437 HA LYS 68 HA LYS 68 7.681 6.659 -5.425 438 HB2 LYS 68 1HB LYS 68 8.694 9.262 -6.568 439 HB3 LYS 68 2HB LYS 68 7.585 9.151 -5.181 440 HG2 LYS 68 1HG LYS 68 9.283 7.879 -3.928 441 HG3 LYS 68 2HG LYS 68 10.392 7.998 -5.314 442 HD2 LYS 68 1HD LYS 68 10.359 10.458 -5.122 443 HD3 LYS 68 2HD LYS 68 9.266 10.328 -3.724 444 HE2 LYS 68 1HE LYS 68 10.974 9.085 -2.485 445 HE3 LYS 68 2HE LYS 68 12.064 9.166 -3.889 446 HZ1 LYS 68 3HZ LYS 68 11.065 11.482 -2.360 447 HZ2 LYS 68 1HZ LYS 68 12.586 10.851 -2.259 448 HZ3 LYS 68 2HZ LYS 68 12.076 11.557 -3.660 449 H ALA 69 H ALA 69 7.387 8.314 -8.560 450 HA ALA 69 HA ALA 69 4.685 9.121 -8.256 451 HB1 ALA 69 3HB ALA 69 6.172 8.335 -10.784 452 HB2 ALA 69 1HB ALA 69 4.645 9.246 -10.715 453 HB3 ALA 69 2HB ALA 69 6.136 9.955 -10.048 454 H ALA 70 H ALA 70 6.057 6.087 -9.506 455 HA ALA 70 HA ALA 70 3.505 4.969 -10.241 456 HB1 ALA 70 3HB ALA 70 6.138 3.598 -9.598 457 HB2 ALA 70 1HB ALA 70 4.735 2.840 -10.388 458 HB3 ALA 70 2HB ALA 70 5.611 4.157 -11.204 459 H GLU 71 H GLU 71 5.434 4.931 -7.286 460 HA GLU 71 HA GLU 71 3.829 2.914 -5.950 461 HB2 GLU 71 1HB GLU 71 5.716 5.050 -4.954 462 HB3 GLU 71 2HB GLU 71 4.910 3.866 -3.898 463 HG2 GLU 71 1HG GLU 71 6.113 2.000 -5.112 464 HG3 GLU 71 2HG GLU 71 6.756 3.273 -6.173 465 H GLN 72 H GLN 72 3.607 6.397 -6.312 466 HA GLN 72 HA GLN 72 1.548 6.673 -4.252 467 HB2 GLN 72 1HB GLN 72 2.542 8.463 -6.473 468 HB3 GLN 72 2HB GLN 72 1.241 8.920 -5.350 469 HG2 GLN 72 1HG GLN 72 3.073 8.726 -3.384 470 HG3 GLN 72 2HG GLN 72 3.978 8.165 -4.808 471 HE21 GLN 72 2HE2 GLN 72 4.756 10.284 -3.054 472 HE22 GLN 72 1HE2 GLN 72 4.778 11.750 -3.978 473 H SER 73 H SER 73 1.593 6.501 -7.801 474 HA SER 73 HA SER 73 -1.230 6.902 -8.256 475 HB2 SER 73 1HB SER 73 0.352 7.169 -9.947 476 HB3 SER 73 2HB SER 73 0.772 5.442 -9.872 477 HG SER 73 HG SER 73 -1.626 6.657 -10.717 478 H ALA 74 H ALA 74 0.764 3.961 -7.769 479 HA ALA 74 HA ALA 74 -1.372 2.093 -8.100 480 HB1 ALA 74 3HB ALA 74 1.185 1.846 -6.481 481 HB2 ALA 74 1HB ALA 74 0.125 0.502 -6.960 482 HB3 ALA 74 2HB ALA 74 0.990 1.438 -8.201 483 H ALA 75 H ALA 75 -0.039 3.659 -5.191 484 HA ALA 75 HA ALA 75 -1.784 2.390 -3.327 485 HB1 ALA 75 3HB ALA 75 -0.523 5.151 -3.221 486 HB2 ALA 75 1HB ALA 75 -1.243 4.283 -1.846 487 HB3 ALA 75 2HB ALA 75 0.213 3.639 -2.641 488 H GLU 76 H GLU 76 -2.168 5.309 -5.303 489 HA GLU 76 HA GLU 76 -4.621 6.184 -4.079 490 HB2 GLU 76 1HB GLU 76 -3.174 7.596 -5.477 491 HB3 GLU 76 2HB GLU 76 -3.596 6.602 -6.892 492 HG2 GLU 76 1HG GLU 76 -5.014 8.622 -6.992 493 HG3 GLU 76 2HG GLU 76 -5.941 7.181 -6.518 494 H VAL 77 H VAL 77 -3.960 4.083 -6.869 495 HA VAL 77 HA VAL 77 -6.744 3.638 -7.553 496 HB VAL 77 HB VAL 77 -4.251 1.947 -8.010 497 HG11 VAL 77 1HG1 VAL 77 -5.627 0.730 -9.664 498 HG12 VAL 77 2HG1 VAL 77 -6.295 0.558 -8.024 499 HG13 VAL 77 3HG1 VAL 77 -7.051 1.681 -9.180 500 HG21 VAL 77 3HG2 VAL 77 -4.179 4.093 -9.133 501 HG22 VAL 77 1HG2 VAL 77 -4.404 2.774 -10.304 502 HG23 VAL 77 2HG2 VAL 77 -5.784 3.798 -9.843 503 H ALA 78 H ALA 78 -4.531 2.007 -5.325 504 HA ALA 78 HA ALA 78 -6.357 -0.108 -4.672 505 HB1 ALA 78 3HB ALA 78 -4.112 1.112 -3.029 506 HB2 ALA 78 1HB ALA 78 -4.925 -0.434 -2.693 507 HB3 ALA 78 2HB ALA 78 -3.958 -0.240 -4.175 508 H LEU 79 H LEU 79 -5.839 3.132 -3.336 509 HA LEU 79 HA LEU 79 -7.648 2.757 -1.102 510 HB2 LEU 79 1HB LEU 79 -6.544 5.067 -2.548 511 HB3 LEU 79 2HB LEU 79 -7.539 5.367 -1.104 512 HG LEU 79 HG LEU 79 -4.907 3.843 -1.185 513 HD11 LEU 79 1HD1 LEU 79 -4.031 5.786 0.140 514 HD12 LEU 79 2HD1 LEU 79 -4.622 6.304 -1.456 515 HD13 LEU 79 3HD1 LEU 79 -5.617 6.579 -0.006 516 HD21 LEU 79 3HD2 LEU 79 -6.415 2.953 0.492 517 HD22 LEU 79 1HD2 LEU 79 -5.083 3.830 1.280 518 HD23 LEU 79 2HD2 LEU 79 -6.691 4.582 1.151 519 H ARG 80 H ARG 80 -8.005 4.071 -4.373 520 HA ARG 80 HA ARG 80 -10.679 5.077 -3.948 521 HB2 ARG 80 1HB ARG 80 -9.161 4.427 -6.427 522 HB3 ARG 80 2HB ARG 80 -10.825 5.055 -6.410 523 HG2 ARG 80 1HG ARG 80 -10.071 7.075 -5.260 524 HG3 ARG 80 2HG ARG 80 -8.408 6.442 -5.207 525 HD2 ARG 80 1HD ARG 80 -8.324 6.495 -7.629 526 HD3 ARG 80 2HD ARG 80 -9.976 7.157 -7.666 527 HE ARG 80 HE ARG 80 -8.338 9.019 -6.181 528 HH11 ARG 80 1HH1 ARG 80 -8.547 7.785 -9.435 529 HH12 ARG 80 2HH1 ARG 80 -7.926 9.301 -10.057 530 HH21 ARG 80 1HH2 ARG 80 -7.618 10.759 -6.876 531 HH22 ARG 80 2HH2 ARG 80 -7.394 10.998 -8.598 532 H GLU 81 H GLU 81 -9.407 2.003 -5.184 533 HA GLU 81 HA GLU 81 -11.981 0.918 -5.902 534 HB2 GLU 81 1HB GLU 81 -9.324 -0.329 -5.207 535 HB3 GLU 81 2HB GLU 81 -10.757 -1.278 -5.673 536 HG2 GLU 81 1HG GLU 81 -9.304 0.765 -7.460 537 HG3 GLU 81 2HG GLU 81 -9.291 -1.012 -7.507 538 H LEU 82 H LEU 82 -10.056 0.800 -2.925 539 HA LEU 82 HA LEU 82 -11.874 -0.942 -1.514 540 HB2 LEU 82 1HB LEU 82 -9.896 1.092 -0.742 541 HB3 LEU 82 2HB LEU 82 -10.680 0.146 0.544 542 HG LEU 82 HG LEU 82 -8.939 -0.965 -1.691 543 HD11 LEU 82 1HD1 LEU 82 -7.329 -1.486 0.163 544 HD12 LEU 82 2HD1 LEU 82 -7.637 0.263 0.045 545 HD13 LEU 82 3HD1 LEU 82 -8.429 -0.698 1.318 546 HD21 LEU 82 3HD2 LEU 82 -10.690 -2.515 -1.052 547 HD22 LEU 82 1HD2 LEU 82 -9.115 -3.108 -0.475 548 HD23 LEU 82 2HD2 LEU 82 -10.253 -2.348 0.665 549 H ALA 83 H ALA 83 -11.632 2.583 -1.812 550 HA ALA 83 HA ALA 83 -13.804 3.113 0.010 551 HB1 ALA 83 3HB ALA 83 -12.690 4.791 -2.264 552 HB2 ALA 83 1HB ALA 83 -13.786 5.367 -0.987 553 HB3 ALA 83 2HB ALA 83 -12.144 4.824 -0.571 554 H LYS 84 H LYS 84 -13.631 2.181 -3.340 555 HA LYS 84 HA LYS 84 -16.413 2.906 -3.924 556 HB2 LYS 84 1HB LYS 84 -14.649 2.825 -5.646 557 HB3 LYS 84 2HB LYS 84 -14.498 1.073 -5.375 558 HG2 LYS 84 1HG LYS 84 -16.764 0.708 -6.164 559 HG3 LYS 84 2HG LYS 84 -17.029 2.461 -6.313 560 HD2 LYS 84 1HD LYS 84 -15.270 2.588 -8.027 561 HD3 LYS 84 2HD LYS 84 -14.991 0.837 -7.874 562 HE2 LYS 84 1HE LYS 84 -17.292 0.397 -8.601 563 HE3 LYS 84 2HE LYS 84 -17.591 2.145 -8.733 564 HZ1 LYS 84 3HZ LYS 84 -15.623 0.618 -10.314 565 HZ2 LYS 84 1HZ LYS 84 -17.078 1.167 -10.865 566 HZ3 LYS 84 2HZ LYS 84 -15.900 2.240 -10.436 567 H SER 85 H SER 85 -14.682 0.081 -2.762 568 HA SER 85 HA SER 85 -17.119 -1.656 -2.950 569 HB2 SER 85 1HB SER 85 -15.779 -3.401 -2.309 570 HB3 SER 85 2HB SER 85 -15.031 -2.516 -3.658 571 HG SER 85 HG SER 85 -13.530 -3.071 -2.019 572 H SER 86 H SER 86 -15.696 0.589 -0.805 573 HA SER 86 HA SER 86 -16.058 -0.556 1.796 574 HB2 SER 86 1HB SER 86 -14.841 1.393 1.462 575 HB3 SER 86 2HB SER 86 -16.297 2.258 0.918 576 HG SER 86 HG SER 86 -17.195 1.831 2.985 Start of MODEL 9 1 H PHE 16 H PHE 16 0.997 -2.558 10.879 2 HA PHE 16 HA PHE 16 1.504 -2.116 7.848 3 HB2 PHE 16 1HB PHE 16 -1.327 -2.391 8.940 4 HB3 PHE 16 2HB PHE 16 -0.951 -1.936 7.262 5 HD1 PHE 16 HD2 PHE 16 0.224 -3.538 5.789 6 HD2 PHE 16 HD1 PHE 16 -1.246 -4.617 9.653 7 HE1 PHE 16 HE2 PHE 16 0.340 -5.927 5.164 8 HE2 PHE 16 HE1 PHE 16 -1.128 -7.007 9.032 9 HZ PHE 16 HZ PHE 16 -0.334 -7.662 6.788 10 H LYS 17 H LYS 17 1.581 -0.216 6.874 11 HA LYS 17 HA LYS 17 0.677 2.156 8.479 12 HB2 LYS 17 1HB LYS 17 3.133 1.818 6.751 13 HB3 LYS 17 2HB LYS 17 2.570 3.362 7.433 14 HG2 LYS 17 1HG LYS 17 2.872 2.462 9.710 15 HG3 LYS 17 2HG LYS 17 3.452 0.927 9.021 16 HD2 LYS 17 1HD LYS 17 5.333 2.097 7.964 17 HD3 LYS 17 2HD LYS 17 4.749 3.644 8.621 18 HE2 LYS 17 1HE LYS 17 5.034 2.773 10.909 19 HE3 LYS 17 2HE LYS 17 5.640 1.239 10.243 20 HZ1 LYS 17 3HZ LYS 17 6.906 3.880 9.890 21 HZ2 LYS 17 1HZ LYS 17 7.434 2.692 10.905 22 HZ3 LYS 17 2HZ LYS 17 7.469 2.458 9.272 23 H SER 18 H SER 18 0.175 4.067 7.295 24 HA SER 18 HA SER 18 -0.728 5.245 5.402 25 HB2 SER 18 1HB SER 18 1.061 4.092 4.198 26 HB3 SER 18 2HB SER 18 -0.153 2.869 3.756 27 HG SER 18 HG SER 18 -0.334 5.660 3.271 28 H ARG 19 H ARG 19 -2.636 5.116 3.982 29 HA ARG 19 HA ARG 19 -4.851 4.030 5.434 30 HB2 ARG 19 1HB ARG 19 -4.656 5.184 2.695 31 HB3 ARG 19 2HB ARG 19 -6.171 4.605 3.426 32 HG2 ARG 19 1HG ARG 19 -5.939 6.228 5.239 33 HG3 ARG 19 2HG ARG 19 -4.392 6.787 4.558 34 HD2 ARG 19 1HD ARG 19 -5.573 7.528 2.559 35 HD3 ARG 19 2HD ARG 19 -7.109 7.034 3.309 36 HE ARG 19 HE ARG 19 -5.642 9.527 4.005 37 HH11 ARG 19 1HH1 ARG 19 -8.110 7.260 4.975 38 HH12 ARG 19 2HH1 ARG 19 -8.795 8.459 6.053 39 HH21 ARG 19 1HH2 ARG 19 -6.421 10.913 5.230 40 HH22 ARG 19 2HH2 ARG 19 -7.834 10.543 6.200 41 H LEU 20 H LEU 20 -3.536 3.054 2.251 42 HA LEU 20 HA LEU 20 -5.392 1.029 1.709 43 HB2 LEU 20 1HB LEU 20 -3.864 1.826 0.193 44 HB3 LEU 20 2HB LEU 20 -2.415 1.174 0.992 45 HG LEU 20 HG LEU 20 -3.373 -1.136 0.630 46 HD11 LEU 20 1HD1 LEU 20 -5.124 -1.357 -1.151 47 HD12 LEU 20 2HD1 LEU 20 -5.736 -0.442 0.246 48 HD13 LEU 20 3HD1 LEU 20 -5.243 0.416 -1.233 49 HD21 LEU 20 3HD2 LEU 20 -1.589 -0.269 -0.765 50 HD22 LEU 20 1HD2 LEU 20 -2.703 -1.252 -1.745 51 HD23 LEU 20 2HD2 LEU 20 -2.771 0.526 -1.832 52 H GLN 21 H GLN 21 -2.281 0.646 3.426 53 HA GLN 21 HA GLN 21 -2.694 -2.204 3.774 54 HB2 GLN 21 1HB GLN 21 -0.819 -0.242 5.111 55 HB3 GLN 21 2HB GLN 21 -0.771 -2.006 5.335 56 HG2 GLN 21 1HG GLN 21 -0.199 -2.145 2.688 57 HG3 GLN 21 2HG GLN 21 -0.434 -0.403 2.954 58 HE21 GLN 21 2HE2 GLN 21 1.892 -1.520 1.822 59 HE22 GLN 21 1HE2 GLN 21 3.214 -1.255 2.910 60 H GLU 22 H GLU 22 -3.147 0.634 5.849 61 HA GLU 22 HA GLU 22 -3.823 -0.797 8.236 62 HB2 GLU 22 1HB GLU 22 -3.304 1.604 8.133 63 HB3 GLU 22 2HB GLU 22 -4.822 1.881 7.247 64 HG2 GLU 22 1HG GLU 22 -6.110 1.086 9.290 65 HG3 GLU 22 2HG GLU 22 -4.512 0.800 10.017 66 H TYR 23 H TYR 23 -5.858 0.368 5.556 67 HA TYR 23 HA TYR 23 -8.327 -0.602 6.705 68 HB2 TYR 23 1HB TYR 23 -7.536 -0.035 3.841 69 HB3 TYR 23 2HB TYR 23 -9.191 -0.376 4.405 70 HD1 TYR 23 HD1 TYR 23 -8.168 1.309 7.086 71 HD2 TYR 23 HD2 TYR 23 -8.738 2.089 2.933 72 HE1 TYR 23 HE1 TYR 23 -8.492 3.712 7.590 73 HE2 TYR 23 HE2 TYR 23 -9.064 4.490 3.418 74 HH TYR 23 HH TYR 23 -8.907 5.779 6.745 75 H ALA 24 H ALA 24 -5.942 -2.021 4.496 76 HA ALA 24 HA ALA 24 -7.390 -4.413 3.946 77 HB1 ALA 24 3HB ALA 24 -4.391 -3.967 4.121 78 HB2 ALA 24 1HB ALA 24 -5.192 -5.364 3.367 79 HB3 ALA 24 2HB ALA 24 -5.402 -3.739 2.676 80 H GLN 25 H GLN 25 -5.209 -3.543 6.606 81 HA GLN 25 HA GLN 25 -5.271 -6.092 7.923 82 HB2 GLN 25 1HB GLN 25 -3.695 -4.280 8.459 83 HB3 GLN 25 2HB GLN 25 -5.047 -3.303 9.078 84 HG2 GLN 25 1HG GLN 25 -5.328 -5.278 10.949 85 HG3 GLN 25 2HG GLN 25 -3.943 -5.816 9.971 86 HE21 GLN 25 2HE2 GLN 25 -3.648 -5.569 12.671 87 HE22 GLN 25 1HE2 GLN 25 -2.652 -4.202 13.046 88 H LYS 26 H LYS 26 -7.345 -3.214 8.266 89 HA LYS 26 HA LYS 26 -9.088 -4.346 10.242 90 HB2 LYS 26 1HB LYS 26 -9.558 -2.273 8.096 91 HB3 LYS 26 2HB LYS 26 -10.723 -2.679 9.379 92 HG2 LYS 26 1HG LYS 26 -9.139 -1.937 11.086 93 HG3 LYS 26 2HG LYS 26 -7.922 -1.594 9.833 94 HD2 LYS 26 1HD LYS 26 -9.432 0.089 8.839 95 HD3 LYS 26 2HD LYS 26 -10.628 -0.242 10.115 96 HE2 LYS 26 1HE LYS 26 -9.009 0.469 11.821 97 HE3 LYS 26 2HE LYS 26 -7.810 0.797 10.548 98 HZ1 LYS 26 3HZ LYS 26 -10.408 2.162 10.848 99 HZ2 LYS 26 1HZ LYS 26 -8.939 2.799 11.243 100 HZ3 LYS 26 2HZ LYS 26 -9.297 2.466 9.667 101 H TYR 27 H TYR 27 -8.861 -4.786 6.787 102 HA TYR 27 HA TYR 27 -11.524 -6.114 6.710 103 HB2 TYR 27 1HB TYR 27 -9.495 -5.558 4.536 104 HB3 TYR 27 2HB TYR 27 -11.115 -6.261 4.307 105 HD1 TYR 27 HD1 TYR 27 -12.066 -4.210 6.673 106 HD2 TYR 27 HD2 TYR 27 -10.275 -3.834 2.821 107 HE1 TYR 27 HE1 TYR 27 -13.024 -1.935 6.459 108 HE2 TYR 27 HE2 TYR 27 -11.224 -1.563 2.590 109 HH TYR 27 HH TYR 27 -13.226 -0.086 5.155 110 H LYS 28 H LYS 28 -8.638 -7.030 7.778 111 HA LYS 28 HA LYS 28 -7.543 -9.075 7.970 112 HB2 LYS 28 1HB LYS 28 -10.280 -10.127 7.238 113 HB3 LYS 28 2HB LYS 28 -8.952 -11.061 7.966 114 HG2 LYS 28 1HG LYS 28 -9.063 -9.632 9.979 115 HG3 LYS 28 2HG LYS 28 -10.414 -8.729 9.252 116 HD2 LYS 28 1HD LYS 28 -11.728 -10.833 9.146 117 HD3 LYS 28 2HD LYS 28 -10.389 -11.684 9.953 118 HE2 LYS 28 1HE LYS 28 -10.625 -10.259 11.916 119 HE3 LYS 28 2HE LYS 28 -11.903 -9.322 11.108 120 HZ1 LYS 28 3HZ LYS 28 -12.060 -12.182 11.815 121 HZ2 LYS 28 1HZ LYS 28 -12.814 -10.952 12.617 122 HZ3 LYS 28 2HZ LYS 28 -13.246 -11.313 11.066 123 H LEU 29 H LEU 29 -7.180 -7.799 5.532 124 HA LEU 29 HA LEU 29 -7.322 -9.993 3.520 125 HB2 LEU 29 1HB LEU 29 -6.485 -7.170 3.396 126 HB3 LEU 29 2HB LEU 29 -6.578 -8.160 1.921 127 HG LEU 29 HG LEU 29 -8.896 -7.297 3.695 128 HD11 LEU 29 1HD1 LEU 29 -9.639 -6.060 1.642 129 HD12 LEU 29 2HD1 LEU 29 -8.034 -5.512 2.183 130 HD13 LEU 29 3HD1 LEU 29 -8.177 -6.619 0.795 131 HD21 LEU 29 3HD2 LEU 29 -9.249 -9.550 2.869 132 HD22 LEU 29 1HD2 LEU 29 -10.346 -8.420 2.039 133 HD23 LEU 29 2HD2 LEU 29 -8.894 -9.027 1.205 134 HA PRO 30 HA PRO 30 -3.230 -11.192 3.793 135 HB2 PRO 30 1HB PRO 30 -3.307 -11.112 1.068 136 HB3 PRO 30 2HB PRO 30 -2.965 -12.340 2.082 137 HG2 PRO 30 1HG PRO 30 -5.324 -11.601 1.260 138 HG3 PRO 30 2HG PRO 30 -4.802 -13.134 1.460 139 HD2 PRO 30 1HD PRO 30 -6.204 -10.150 1.610 140 HD3 PRO 30 2HD PRO 30 -6.159 -11.604 2.350 141 H THR 31 H THR 31 -1.049 -10.538 3.607 142 HA THR 31 HA THR 31 -0.676 -7.722 3.590 143 HB THR 31 HB THR 31 1.384 -9.884 2.981 144 HG1 THR 31 HG1 THR 31 0.316 -10.140 5.020 145 HG21 THR 31 1HG2 THR 31 3.004 -8.209 3.800 146 HG22 THR 31 2HG2 THR 31 2.124 -7.605 2.376 147 HG23 THR 31 3HG2 THR 31 1.686 -7.031 4.002 148 HA PRO 32 HA PRO 32 -1.069 -6.758 -0.587 149 HB2 PRO 32 1HB PRO 32 0.208 -4.527 0.329 150 HB3 PRO 32 2HB PRO 32 -1.196 -4.686 -0.483 151 HG2 PRO 32 1HG PRO 32 -0.855 -4.838 2.096 152 HG3 PRO 32 2HG PRO 32 -2.100 -4.124 1.322 153 HD2 PRO 32 1HD PRO 32 0.014 -6.035 3.019 154 HD3 PRO 32 2HD PRO 32 -1.546 -5.912 2.557 155 H VAL 33 H VAL 33 0.091 -6.971 -2.437 156 HA VAL 33 HA VAL 33 3.074 -7.169 -2.032 157 HB VAL 33 HB VAL 33 1.297 -8.517 -4.108 158 HG11 VAL 33 1HG1 VAL 33 3.372 -9.702 -4.745 159 HG12 VAL 33 2HG1 VAL 33 3.545 -7.944 -4.961 160 HG13 VAL 33 3HG1 VAL 33 4.283 -8.746 -3.553 161 HG21 VAL 33 3HG2 VAL 33 0.993 -9.503 -1.917 162 HG22 VAL 33 1HG2 VAL 33 1.896 -10.603 -2.985 163 HG23 VAL 33 2HG2 VAL 33 2.755 -9.679 -1.730 164 H TYR 34 H TYR 34 4.334 -5.796 -2.919 165 HA TYR 34 HA TYR 34 3.177 -4.033 -5.052 166 HB2 TYR 34 1HB TYR 34 5.442 -3.498 -3.121 167 HB3 TYR 34 2HB TYR 34 4.789 -2.369 -4.335 168 HD1 TYR 34 HD1 TYR 34 3.859 -4.273 -1.256 169 HD2 TYR 34 HD2 TYR 34 2.991 -0.951 -3.785 170 HE1 TYR 34 HE1 TYR 34 2.212 -3.451 0.402 171 HE2 TYR 34 HE2 TYR 34 1.344 -0.117 -2.142 172 HH TYR 34 HH TYR 34 0.338 -0.462 -0.128 173 H GLU 35 H GLU 35 3.956 -4.096 -6.998 174 HA GLU 35 HA GLU 35 6.788 -5.005 -7.367 175 HB2 GLU 35 1HB GLU 35 4.385 -5.736 -9.050 176 HB3 GLU 35 2HB GLU 35 6.083 -6.085 -9.460 177 HG2 GLU 35 1HG GLU 35 6.218 -7.561 -7.377 178 HG3 GLU 35 2HG GLU 35 4.521 -7.095 -7.120 179 H ILE 36 H ILE 36 7.990 -3.994 -8.862 180 HA ILE 36 HA ILE 36 6.683 -1.723 -10.336 181 HB ILE 36 HB ILE 36 9.393 -1.719 -8.928 182 HG12 ILE 36 1HG1 ILE 36 6.949 -0.062 -8.366 183 HG13 ILE 36 2HG1 ILE 36 7.424 -1.517 -7.460 184 HG21 ILE 36 1HG2 ILE 36 9.519 0.630 -9.685 185 HG22 ILE 36 2HG2 ILE 36 9.416 -0.483 -11.068 186 HG23 ILE 36 3HG2 ILE 36 7.980 0.433 -10.556 187 HD11 ILE 36 3HD1 ILE 36 9.055 1.035 -7.708 188 HD12 ILE 36 1HD1 ILE 36 8.119 0.532 -6.282 189 HD13 ILE 36 2HD1 ILE 36 9.530 -0.419 -6.802 190 H VAL 37 H VAL 37 6.941 -1.652 -12.383 191 HA VAL 37 HA VAL 37 9.089 -3.390 -13.594 192 HB VAL 37 HB VAL 37 6.416 -2.511 -14.766 193 HG11 VAL 37 1HG1 VAL 37 7.010 -4.055 -16.603 194 HG12 VAL 37 2HG1 VAL 37 8.211 -2.751 -16.449 195 HG13 VAL 37 3HG1 VAL 37 8.576 -4.379 -15.826 196 HG21 VAL 37 3HG2 VAL 37 6.098 -4.159 -13.018 197 HG22 VAL 37 1HG2 VAL 37 5.788 -4.867 -14.620 198 HG23 VAL 37 2HG2 VAL 37 7.312 -5.220 -13.771 199 H LYS 38 H LYS 38 10.636 -2.548 -14.675 200 HA LYS 38 HA LYS 38 10.368 0.319 -15.501 201 HB2 LYS 38 1HB LYS 38 12.182 -0.239 -13.926 202 HB3 LYS 38 2HB LYS 38 12.835 -1.384 -15.121 203 HG2 LYS 38 1HG LYS 38 13.185 0.492 -16.699 204 HG3 LYS 38 2HG LYS 38 12.581 1.624 -15.466 205 HD2 LYS 38 1HD LYS 38 14.412 0.955 -13.957 206 HD3 LYS 38 2HD LYS 38 15.017 -0.171 -15.195 207 HE2 LYS 38 1HE LYS 38 15.382 1.710 -16.732 208 HE3 LYS 38 2HE LYS 38 14.771 2.838 -15.499 209 HZ1 LYS 38 3HZ LYS 38 17.171 1.143 -15.234 210 HZ2 LYS 38 1HZ LYS 38 17.171 2.765 -15.528 211 HZ3 LYS 38 2HZ LYS 38 16.605 2.188 -14.090 212 H GLU 39 H GLU 39 10.069 0.783 -17.518 213 HA GLU 39 HA GLU 39 11.114 -1.106 -19.593 214 HB2 GLU 39 1HB GLU 39 8.384 0.186 -19.485 215 HB3 GLU 39 2HB GLU 39 9.061 -0.665 -20.894 216 HG2 GLU 39 1HG GLU 39 9.149 -2.795 -19.468 217 HG3 GLU 39 2HG GLU 39 8.442 -1.780 -18.191 218 H GLY 40 H GLY 40 11.416 -0.210 -21.683 219 HA2 GLY 40 1HA GLY 40 11.379 1.726 -23.156 220 HA3 GLY 40 2HA GLY 40 11.530 2.774 -21.727 221 HA PRO 41 HA PRO 41 15.645 1.941 -23.723 222 HB2 PRO 41 1HB PRO 41 16.116 4.368 -24.225 223 HB3 PRO 41 2HB PRO 41 15.302 3.384 -25.237 224 HG2 PRO 41 1HG PRO 41 14.294 5.245 -23.717 225 HG3 PRO 41 2HG PRO 41 13.843 4.888 -25.244 226 HD2 PRO 41 1HD PRO 41 12.479 4.070 -23.347 227 HD3 PRO 41 2HD PRO 41 12.731 3.143 -24.666 228 H SER 42 H SER 42 17.728 2.361 -22.867 229 HA SER 42 HA SER 42 17.791 2.738 -20.011 230 HB2 SER 42 1HB SER 42 20.068 2.690 -20.154 231 HB3 SER 42 2HB SER 42 19.376 1.470 -21.247 232 HG SER 42 HG SER 42 19.763 2.942 -22.964 233 H HIS 43 H HIS 43 17.767 4.983 -22.693 234 HA HIS 43 HA HIS 43 18.882 7.199 -21.088 235 HB2 HIS 43 1HB HIS 43 17.717 7.097 -23.908 236 HB3 HIS 43 2HB HIS 43 18.414 8.547 -23.147 237 HD2 HIS 43 HD2 HIS 43 19.607 5.771 -25.491 238 HE1 HIS 43 HE1 HIS 43 23.010 7.195 -23.385 239 HE2 HIS 43 HE2 HIS 43 22.107 5.772 -25.403 240 H LYS 44 H LYS 44 15.740 6.170 -22.375 241 HA LYS 44 HA LYS 44 14.478 8.124 -20.484 242 HB2 LYS 44 1HB LYS 44 13.602 7.404 -23.284 243 HB3 LYS 44 2HB LYS 44 12.649 8.357 -22.122 244 HG2 LYS 44 1HG LYS 44 14.447 10.069 -22.097 245 HG3 LYS 44 2HG LYS 44 15.330 9.129 -23.323 246 HD2 LYS 44 1HD LYS 44 13.430 9.373 -24.875 247 HD3 LYS 44 2HD LYS 44 12.556 10.321 -23.649 248 HE2 LYS 44 1HE LYS 44 14.326 12.019 -23.687 249 HE3 LYS 44 2HE LYS 44 15.220 11.067 -24.895 250 HZ1 LYS 44 3HZ LYS 44 12.545 12.251 -25.282 251 HZ2 LYS 44 1HZ LYS 44 13.953 12.835 -25.914 252 HZ3 LYS 44 2HZ LYS 44 13.374 11.370 -26.403 253 H SER 45 H SER 45 14.590 6.232 -19.070 254 HA SER 45 HA SER 45 12.765 3.953 -19.687 255 HB2 SER 45 1HB SER 45 14.534 4.561 -17.400 256 HB3 SER 45 2HB SER 45 13.429 3.172 -17.520 257 HG SER 45 HG SER 45 15.488 3.812 -19.366 258 H LEU 46 H LEU 46 10.735 3.761 -18.957 259 HA LEU 46 HA LEU 46 9.777 5.735 -16.911 260 HB2 LEU 46 1HB LEU 46 8.372 4.192 -18.993 261 HB3 LEU 46 2HB LEU 46 7.473 5.268 -17.898 262 HG LEU 46 HG LEU 46 9.527 6.095 -19.986 263 HD11 LEU 46 1HD1 LEU 46 7.571 7.241 -21.059 264 HD12 LEU 46 2HD1 LEU 46 7.302 5.487 -20.931 265 HD13 LEU 46 3HD1 LEU 46 6.512 6.595 -19.784 266 HD21 LEU 46 3HD2 LEU 46 9.690 7.496 -18.013 267 HD22 LEU 46 1HD2 LEU 46 8.961 8.415 -19.352 268 HD23 LEU 46 2HD2 LEU 46 7.934 7.788 -18.041 269 H PHE 47 H PHE 47 8.566 5.081 -15.202 270 HA PHE 47 HA PHE 47 8.758 2.151 -14.615 271 HB2 PHE 47 1HB PHE 47 8.522 4.574 -12.780 272 HB3 PHE 47 2HB PHE 47 8.463 2.885 -12.229 273 HD1 PHE 47 HD2 PHE 47 10.444 1.462 -12.378 274 HD2 PHE 47 HD1 PHE 47 10.559 5.620 -13.355 275 HE1 PHE 47 HE2 PHE 47 12.908 1.439 -12.182 276 HE2 PHE 47 HE1 PHE 47 13.024 5.600 -13.161 277 HZ PHE 47 HZ PHE 47 14.198 3.508 -12.574 278 H GLN 48 H GLN 48 7.059 0.983 -13.850 279 HA GLN 48 HA GLN 48 4.507 2.374 -13.307 280 HB2 GLN 48 1HB GLN 48 4.459 1.802 -15.719 281 HB3 GLN 48 2HB GLN 48 4.731 0.097 -15.286 282 HG2 GLN 48 1HG GLN 48 2.323 0.405 -13.916 283 HG3 GLN 48 2HG GLN 48 2.534 1.897 -14.863 284 HE21 GLN 48 2HE2 GLN 48 0.319 0.199 -15.146 285 HE22 GLN 48 1HE2 GLN 48 0.372 -0.526 -16.719 286 H SER 49 H SER 49 3.423 1.538 -11.676 287 HA SER 49 HA SER 49 4.652 -0.910 -10.379 288 HB2 SER 49 1HB SER 49 5.205 1.002 -9.220 289 HB3 SER 49 2HB SER 49 3.508 1.533 -9.169 290 HG SER 49 HG SER 49 4.554 -0.843 -8.021 291 H THR 50 H THR 50 3.293 -2.371 -9.367 292 HA THR 50 HA THR 50 0.348 -1.974 -9.670 293 HB THR 50 HB THR 50 1.188 -3.440 -11.548 294 HG1 THR 50 HG1 THR 50 -0.891 -3.847 -11.003 295 HG21 THR 50 1HG2 THR 50 1.917 -5.728 -10.967 296 HG22 THR 50 2HG2 THR 50 3.048 -4.513 -10.324 297 HG23 THR 50 3HG2 THR 50 1.878 -5.302 -9.240 298 H VAL 51 H VAL 51 -0.909 -2.744 -8.093 299 HA VAL 51 HA VAL 51 0.512 -4.023 -5.758 300 HB VAL 51 HB VAL 51 -1.779 -2.014 -5.715 301 HG11 VAL 51 1HG1 VAL 51 -1.489 -2.121 -3.262 302 HG12 VAL 51 2HG1 VAL 51 -1.923 -3.714 -3.926 303 HG13 VAL 51 3HG1 VAL 51 -0.239 -3.371 -3.464 304 HG21 VAL 51 3HG2 VAL 51 0.321 -0.938 -6.265 305 HG22 VAL 51 1HG2 VAL 51 -0.192 -0.517 -4.614 306 HG23 VAL 51 2HG2 VAL 51 1.105 -1.710 -4.865 307 H ILE 52 H ILE 52 -0.086 -5.926 -5.250 308 HA ILE 52 HA ILE 52 -2.817 -6.841 -6.107 309 HB ILE 52 HB ILE 52 -0.321 -8.447 -5.385 310 HG12 ILE 52 1HG1 ILE 52 -1.678 -8.131 -8.049 311 HG13 ILE 52 2HG1 ILE 52 -0.234 -7.230 -7.529 312 HG21 ILE 52 1HG2 ILE 52 -1.645 -10.395 -6.134 313 HG22 ILE 52 2HG2 ILE 52 -2.419 -9.589 -4.751 314 HG23 ILE 52 3HG2 ILE 52 -3.053 -9.339 -6.395 315 HD11 ILE 52 3HD1 ILE 52 -0.440 -10.248 -7.815 316 HD12 ILE 52 1HD1 ILE 52 0.378 -9.148 -8.949 317 HD13 ILE 52 2HD1 ILE 52 1.004 -9.348 -7.296 318 H LEU 53 H LEU 53 -4.328 -6.945 -4.718 319 HA LEU 53 HA LEU 53 -3.605 -7.622 -1.892 320 HB2 LEU 53 1HB LEU 53 -3.919 -5.364 -2.014 321 HB3 LEU 53 2HB LEU 53 -5.484 -5.402 -2.859 322 HG LEU 53 HG LEU 53 -6.412 -6.631 -0.843 323 HD11 LEU 53 1HD1 LEU 53 -5.141 -6.353 1.302 324 HD12 LEU 53 2HD1 LEU 53 -4.224 -7.328 0.129 325 HD13 LEU 53 3HD1 LEU 53 -3.799 -5.620 0.394 326 HD21 LEU 53 3HD2 LEU 53 -6.892 -4.290 -1.249 327 HD22 LEU 53 1HD2 LEU 53 -6.696 -4.575 0.497 328 HD23 LEU 53 2HD2 LEU 53 -5.385 -3.809 -0.433 329 H ASP 54 H ASP 54 -4.576 -9.315 -1.137 330 HA ASP 54 HA ASP 54 -6.022 -11.131 -1.025 331 HB2 ASP 54 1HB ASP 54 -7.638 -9.056 -0.512 332 HB3 ASP 54 2HB ASP 54 -8.057 -9.387 -2.211 333 H GLY 55 H GLY 55 -4.530 -10.655 -3.481 334 HA2 GLY 55 1HA GLY 55 -4.309 -12.033 -5.356 335 HA3 GLY 55 2HA GLY 55 -5.927 -12.700 -5.039 336 H VAL 56 H VAL 56 -5.987 -9.334 -4.943 337 HA VAL 56 HA VAL 56 -7.038 -9.207 -7.766 338 HB VAL 56 HB VAL 56 -7.648 -7.410 -5.382 339 HG11 VAL 56 1HG1 VAL 56 -9.387 -6.477 -6.872 340 HG12 VAL 56 2HG1 VAL 56 -7.763 -6.263 -7.569 341 HG13 VAL 56 3HG1 VAL 56 -8.834 -7.545 -8.185 342 HG21 VAL 56 3HG2 VAL 56 -8.612 -9.609 -5.059 343 HG22 VAL 56 1HG2 VAL 56 -9.877 -8.412 -5.422 344 HG23 VAL 56 2HG2 VAL 56 -9.342 -9.548 -6.682 345 H ARG 57 H ARG 57 -5.758 -8.403 -9.173 346 HA ARG 57 HA ARG 57 -3.477 -6.753 -8.288 347 HB2 ARG 57 1HB ARG 57 -3.164 -8.564 -9.860 348 HB3 ARG 57 2HB ARG 57 -4.185 -7.696 -11.030 349 HG2 ARG 57 1HG ARG 57 -2.586 -5.847 -11.083 350 HG3 ARG 57 2HG ARG 57 -1.574 -6.673 -9.873 351 HD2 ARG 57 1HD ARG 57 -1.169 -8.468 -11.441 352 HD3 ARG 57 2HD ARG 57 -2.179 -7.641 -12.650 353 HE ARG 57 HE ARG 57 0.094 -5.942 -11.902 354 HH11 ARG 57 1HH1 ARG 57 -0.702 -8.764 -13.790 355 HH12 ARG 57 2HH1 ARG 57 0.630 -8.421 -14.876 356 HH21 ARG 57 1HH2 ARG 57 1.629 -5.541 -13.131 357 HH22 ARG 57 2HH2 ARG 57 1.961 -6.583 -14.501 358 H TYR 58 H TYR 58 -3.542 -4.674 -8.082 359 HA TYR 58 HA TYR 58 -5.381 -3.116 -9.867 360 HB2 TYR 58 1HB TYR 58 -3.994 -2.292 -7.308 361 HB3 TYR 58 2HB TYR 58 -5.128 -1.310 -8.267 362 HD1 TYR 58 HD2 TYR 58 -7.522 -2.252 -8.558 363 HD2 TYR 58 HD1 TYR 58 -4.812 -3.647 -5.575 364 HE1 TYR 58 HE2 TYR 58 -9.424 -3.178 -7.278 365 HE2 TYR 58 HE1 TYR 58 -6.706 -4.580 -4.279 366 HH TYR 58 HH TYR 58 -10.078 -4.301 -5.408 367 H ASN 59 H ASN 59 -4.614 -1.984 -11.458 368 HA ASN 59 HA ASN 59 -1.636 -1.633 -11.575 369 HB2 ASN 59 1HB ASN 59 -3.476 -1.867 -14.069 370 HB3 ASN 59 2HB ASN 59 -1.759 -1.551 -13.715 371 HD21 ASN 59 2HD2 ASN 59 -4.185 -3.892 -14.171 372 HD22 ASN 59 1HD2 ASN 59 -3.226 -5.301 -13.858 373 H SER 60 H SER 60 -0.793 0.292 -11.608 374 HA SER 60 HA SER 60 -2.511 2.721 -11.935 375 HB2 SER 60 1HB SER 60 -0.729 3.945 -11.217 376 HB3 SER 60 2HB SER 60 -0.977 2.567 -10.120 377 HG SER 60 HG SER 60 0.981 2.746 -12.166 378 H LEU 61 H LEU 61 -1.631 4.476 -13.296 379 HA LEU 61 HA LEU 61 -1.017 3.505 -15.993 380 HB2 LEU 61 1HB LEU 61 -1.216 6.164 -14.740 381 HB3 LEU 61 2HB LEU 61 -1.024 6.029 -16.504 382 HG LEU 61 HG LEU 61 -3.387 5.068 -14.843 383 HD11 LEU 61 1HD1 LEU 61 -4.654 6.793 -16.155 384 HD12 LEU 61 2HD1 LEU 61 -3.334 7.532 -15.220 385 HD13 LEU 61 3HD1 LEU 61 -3.142 7.261 -16.968 386 HD21 LEU 61 3HD2 LEU 61 -2.938 3.533 -16.665 387 HD22 LEU 61 1HD2 LEU 61 -4.420 4.458 -17.003 388 HD23 LEU 61 2HD2 LEU 61 -2.899 4.878 -17.829 389 HA PRO 62 HA PRO 62 3.241 3.785 -15.746 390 HB2 PRO 62 1HB PRO 62 3.743 3.740 -18.193 391 HB3 PRO 62 2HB PRO 62 3.088 2.465 -17.417 392 HG2 PRO 62 1HG PRO 62 1.870 4.107 -19.033 393 HG3 PRO 62 2HG PRO 62 1.658 2.493 -18.949 394 HD2 PRO 62 1HD PRO 62 -0.029 3.808 -17.746 395 HD3 PRO 62 2HD PRO 62 0.531 2.445 -17.045 396 H GLY 63 H GLY 63 5.181 5.008 -16.571 397 HA2 GLY 63 1HA GLY 63 5.930 6.978 -17.800 398 HA3 GLY 63 2HA GLY 63 4.357 7.738 -17.465 399 H PHE 64 H PHE 64 5.982 5.899 -14.986 400 HA PHE 64 HA PHE 64 6.371 8.358 -13.380 401 HB2 PHE 64 1HB PHE 64 6.693 5.393 -12.760 402 HB3 PHE 64 2HB PHE 64 7.059 6.694 -11.604 403 HD1 PHE 64 HD2 PHE 64 5.128 8.401 -11.201 404 HD2 PHE 64 HD1 PHE 64 4.618 4.456 -12.759 405 HE1 PHE 64 HE2 PHE 64 2.767 8.418 -10.466 406 HE2 PHE 64 HE1 PHE 64 2.256 4.471 -12.029 407 HZ PHE 64 HZ PHE 64 1.331 6.452 -10.883 408 H PHE 65 H PHE 65 8.297 8.977 -12.417 409 HA PHE 65 HA PHE 65 10.710 8.127 -13.989 410 HB2 PHE 65 1HB PHE 65 10.111 10.800 -12.646 411 HB3 PHE 65 2HB PHE 65 11.603 10.385 -13.521 412 HD1 PHE 65 HD2 PHE 65 11.416 9.797 -15.975 413 HD2 PHE 65 HD1 PHE 65 8.291 11.680 -13.752 414 HE1 PHE 65 HE2 PHE 65 10.408 10.607 -18.082 415 HE2 PHE 65 HE1 PHE 65 7.279 12.489 -15.857 416 HZ PHE 65 HZ PHE 65 8.337 11.953 -18.023 417 H ASN 66 H ASN 66 9.317 7.423 -11.207 418 HA ASN 66 HA ASN 66 11.905 6.842 -9.917 419 HB2 ASN 66 1HB ASN 66 11.017 9.277 -8.978 420 HB3 ASN 66 2HB ASN 66 9.815 8.073 -8.451 421 HD21 ASN 66 2HD2 ASN 66 10.478 9.007 -6.351 422 HD22 ASN 66 1HD2 ASN 66 11.811 8.266 -5.528 423 H ARG 67 H ARG 67 11.898 5.089 -8.675 424 HA ARG 67 HA ARG 67 9.723 3.238 -8.971 425 HB2 ARG 67 1HB ARG 67 12.130 3.214 -7.219 426 HB3 ARG 67 2HB ARG 67 10.908 1.922 -7.245 427 HG2 ARG 67 1HG ARG 67 11.343 1.735 -9.739 428 HG3 ARG 67 2HG ARG 67 12.746 2.801 -9.485 429 HD2 ARG 67 1HD ARG 67 12.311 0.144 -8.157 430 HD3 ARG 67 2HD ARG 67 13.322 0.436 -9.592 431 HE ARG 67 HE ARG 67 14.137 1.130 -6.806 432 HH11 ARG 67 1HH1 ARG 67 14.801 1.476 -10.212 433 HH12 ARG 67 2HH1 ARG 67 16.438 1.987 -9.848 434 HH21 ARG 67 1HH2 ARG 67 16.010 1.705 -6.373 435 HH22 ARG 67 2HH2 ARG 67 17.128 2.117 -7.658 436 H LYS 68 H LYS 68 10.739 5.278 -6.240 437 HA LYS 68 HA LYS 68 8.750 4.265 -4.418 438 HB2 LYS 68 1HB LYS 68 10.280 6.864 -4.543 439 HB3 LYS 68 2HB LYS 68 9.179 6.423 -3.217 440 HG2 LYS 68 1HG LYS 68 10.577 4.460 -2.709 441 HG3 LYS 68 2HG LYS 68 11.679 4.905 -4.033 442 HD2 LYS 68 1HD LYS 68 12.159 7.047 -2.900 443 HD3 LYS 68 2HD LYS 68 11.080 6.573 -1.566 444 HE2 LYS 68 1HE LYS 68 12.507 4.640 -1.084 445 HE3 LYS 68 2HE LYS 68 13.576 5.082 -2.434 446 HZ1 LYS 68 3HZ LYS 68 13.087 6.718 -0.028 447 HZ2 LYS 68 1HZ LYS 68 14.448 5.834 -0.327 448 HZ3 LYS 68 2HZ LYS 68 14.079 7.129 -1.281 449 H ALA 69 H ALA 69 8.767 6.986 -6.695 450 HA ALA 69 HA ALA 69 6.208 8.018 -5.943 451 HB1 ALA 69 3HB ALA 69 7.623 8.107 -8.629 452 HB2 ALA 69 1HB ALA 69 6.237 9.113 -8.149 453 HB3 ALA 69 2HB ALA 69 7.797 9.290 -7.312 454 H ALA 70 H ALA 70 7.167 5.605 -8.378 455 HA ALA 70 HA ALA 70 4.561 5.159 -9.435 456 HB1 ALA 70 3HB ALA 70 6.891 3.229 -9.175 457 HB2 ALA 70 1HB ALA 70 5.470 3.008 -10.221 458 HB3 ALA 70 2HB ALA 70 6.602 4.346 -10.529 459 H GLU 71 H GLU 71 6.267 3.635 -6.709 460 HA GLU 71 HA GLU 71 4.230 1.655 -6.209 461 HB2 GLU 71 1HB GLU 71 6.560 1.496 -5.429 462 HB3 GLU 71 2HB GLU 71 6.267 2.869 -4.334 463 HG2 GLU 71 1HG GLU 71 4.555 1.461 -3.092 464 HG3 GLU 71 2HG GLU 71 4.904 0.208 -4.305 465 H GLN 72 H GLN 72 4.838 4.881 -4.842 466 HA GLN 72 HA GLN 72 2.729 4.754 -2.897 467 HB2 GLN 72 1HB GLN 72 4.596 6.386 -2.900 468 HB3 GLN 72 2HB GLN 72 3.874 7.159 -4.332 469 HG2 GLN 72 1HG GLN 72 3.001 8.550 -2.332 470 HG3 GLN 72 2HG GLN 72 1.902 7.393 -3.118 471 HE21 GLN 72 2HE2 GLN 72 0.567 7.314 -1.278 472 HE22 GLN 72 1HE2 GLN 72 1.041 6.465 0.156 473 H SER 73 H SER 73 2.803 5.937 -6.247 474 HA SER 73 HA SER 73 0.101 6.980 -6.337 475 HB2 SER 73 1HB SER 73 1.915 6.033 -8.470 476 HB3 SER 73 2HB SER 73 0.328 6.800 -8.702 477 HG SER 73 HG SER 73 2.542 7.920 -7.327 478 H ALA 74 H ALA 74 1.548 3.809 -7.178 479 HA ALA 74 HA ALA 74 -0.884 2.630 -8.121 480 HB1 ALA 74 3HB ALA 74 1.582 1.315 -6.930 481 HB2 ALA 74 1HB ALA 74 0.302 0.487 -7.847 482 HB3 ALA 74 2HB ALA 74 1.326 1.703 -8.647 483 H ALA 75 H ALA 75 0.583 2.843 -4.909 484 HA ALA 75 HA ALA 75 -1.324 1.162 -3.583 485 HB1 ALA 75 3HB ALA 75 0.268 3.519 -2.521 486 HB2 ALA 75 1HB ALA 75 -0.582 2.309 -1.533 487 HB3 ALA 75 2HB ALA 75 0.798 1.820 -2.546 488 H GLU 76 H GLU 76 -1.293 4.632 -4.330 489 HA GLU 76 HA GLU 76 -3.753 5.255 -2.968 490 HB2 GLU 76 1HB GLU 76 -2.315 6.513 -5.304 491 HB3 GLU 76 2HB GLU 76 -3.807 7.177 -4.592 492 HG2 GLU 76 1HG GLU 76 -2.604 7.535 -2.414 493 HG3 GLU 76 2HG GLU 76 -1.231 6.684 -3.158 494 H VAL 77 H VAL 77 -3.041 4.095 -6.238 495 HA VAL 77 HA VAL 77 -5.777 4.220 -7.201 496 HB VAL 77 HB VAL 77 -3.404 2.489 -8.002 497 HG11 VAL 77 1HG1 VAL 77 -4.729 1.934 -10.014 498 HG12 VAL 77 2HG1 VAL 77 -5.536 1.356 -8.538 499 HG13 VAL 77 3HG1 VAL 77 -6.115 2.831 -9.350 500 HG21 VAL 77 3HG2 VAL 77 -3.088 4.851 -8.435 501 HG22 VAL 77 1HG2 VAL 77 -3.314 3.955 -9.955 502 HG23 VAL 77 2HG2 VAL 77 -4.650 4.923 -9.288 503 H ALA 78 H ALA 78 -3.905 1.593 -5.692 504 HA ALA 78 HA ALA 78 -6.068 -0.271 -5.690 505 HB1 ALA 78 3HB ALA 78 -3.720 -0.025 -3.779 506 HB2 ALA 78 1HB ALA 78 -4.778 -1.445 -3.950 507 HB3 ALA 78 2HB ALA 78 -3.740 -0.942 -5.304 508 H LEU 79 H LEU 79 -5.186 2.338 -3.495 509 HA LEU 79 HA LEU 79 -7.045 1.638 -1.405 510 HB2 LEU 79 1HB LEU 79 -5.245 3.028 -1.076 511 HB3 LEU 79 2HB LEU 79 -5.770 4.315 -2.186 512 HG LEU 79 HG LEU 79 -7.794 4.638 -0.728 513 HD11 LEU 79 1HD1 LEU 79 -7.678 3.721 1.605 514 HD12 LEU 79 2HD1 LEU 79 -7.739 2.414 0.399 515 HD13 LEU 79 3HD1 LEU 79 -6.193 2.844 1.170 516 HD21 LEU 79 3HD2 LEU 79 -5.897 6.140 -0.588 517 HD22 LEU 79 1HD2 LEU 79 -6.597 5.895 1.029 518 HD23 LEU 79 2HD2 LEU 79 -5.091 5.061 0.576 519 H ARG 80 H ARG 80 -7.296 3.841 -4.195 520 HA ARG 80 HA ARG 80 -9.968 4.711 -3.611 521 HB2 ARG 80 1HB ARG 80 -8.425 4.635 -6.159 522 HB3 ARG 80 2HB ARG 80 -10.076 5.281 -6.006 523 HG2 ARG 80 1HG ARG 80 -9.305 6.959 -4.417 524 HG3 ARG 80 2HG ARG 80 -7.658 6.284 -4.472 525 HD2 ARG 80 1HD ARG 80 -7.495 6.896 -6.810 526 HD3 ARG 80 2HD ARG 80 -9.133 7.586 -6.738 527 HE ARG 80 HE ARG 80 -7.545 9.031 -4.820 528 HH11 ARG 80 1HH1 ARG 80 -7.544 8.529 -8.271 529 HH12 ARG 80 2HH1 ARG 80 -6.849 10.120 -8.508 530 HH21 ARG 80 1HH2 ARG 80 -6.741 10.853 -5.076 531 HH22 ARG 80 2HH2 ARG 80 -6.390 11.446 -6.687 532 H GLU 81 H GLU 81 -8.712 1.922 -5.377 533 HA GLU 81 HA GLU 81 -11.346 1.059 -6.288 534 HB2 GLU 81 1HB GLU 81 -8.704 -0.382 -6.012 535 HB3 GLU 81 2HB GLU 81 -10.170 -1.075 -6.746 536 HG2 GLU 81 1HG GLU 81 -8.723 1.410 -7.842 537 HG3 GLU 81 2HG GLU 81 -8.518 -0.285 -8.339 538 H LEU 82 H LEU 82 -9.284 0.358 -3.501 539 HA LEU 82 HA LEU 82 -10.925 -1.763 -2.451 540 HB2 LEU 82 1HB LEU 82 -8.718 -1.407 -1.857 541 HB3 LEU 82 2HB LEU 82 -8.983 0.159 -1.056 542 HG LEU 82 HG LEU 82 -10.495 -1.013 0.573 543 HD11 LEU 82 1HD1 LEU 82 -10.285 -3.508 0.738 544 HD12 LEU 82 2HD1 LEU 82 -10.983 -3.019 -0.824 545 HD13 LEU 82 3HD1 LEU 82 -9.274 -3.505 -0.726 546 HD21 LEU 82 3HD2 LEU 82 -8.212 -0.451 1.168 547 HD22 LEU 82 1HD2 LEU 82 -8.662 -2.010 1.899 548 HD23 LEU 82 2HD2 LEU 82 -7.621 -1.970 0.455 549 H ALA 83 H ALA 83 -11.030 1.749 -2.121 550 HA ALA 83 HA ALA 83 -12.865 1.808 0.068 551 HB1 ALA 83 3HB ALA 83 -12.424 3.839 -2.148 552 HB2 ALA 83 1HB ALA 83 -13.280 4.139 -0.619 553 HB3 ALA 83 2HB ALA 83 -11.541 3.762 -0.606 554 H LYS 84 H LYS 84 -13.298 1.141 -3.300 555 HA LYS 84 HA LYS 84 -16.057 1.899 -3.556 556 HB2 LYS 84 1HB LYS 84 -14.384 -0.188 -4.955 557 HB3 LYS 84 2HB LYS 84 -16.056 0.216 -5.408 558 HG2 LYS 84 1HG LYS 84 -15.372 2.527 -5.897 559 HG3 LYS 84 2HG LYS 84 -13.699 2.132 -5.435 560 HD2 LYS 84 1HD LYS 84 -13.582 0.474 -7.246 561 HD3 LYS 84 2HD LYS 84 -15.261 0.849 -7.702 562 HE2 LYS 84 1HE LYS 84 -14.620 3.161 -8.207 563 HE3 LYS 84 2HE LYS 84 -12.944 2.808 -7.727 564 HZ1 LYS 84 3HZ LYS 84 -14.386 1.548 -9.971 565 HZ2 LYS 84 1HZ LYS 84 -13.226 2.712 -10.109 566 HZ3 LYS 84 2HZ LYS 84 -12.832 1.219 -9.526 567 H SER 85 H SER 85 -14.515 -0.779 -1.991 568 HA SER 85 HA SER 85 -16.892 -2.554 -2.016 569 HB2 SER 85 1HB SER 85 -15.654 -4.045 -0.842 570 HB3 SER 85 2HB SER 85 -14.650 -3.384 -2.153 571 HG SER 85 HG SER 85 -13.527 -3.535 -0.163 572 H SER 86 H SER 86 -15.912 0.214 -0.281 573 HA SER 86 HA SER 86 -16.686 -0.405 2.437 574 HB2 SER 86 1HB SER 86 -15.310 1.407 1.910 575 HB3 SER 86 2HB SER 86 -16.634 2.188 1.014 576 HG SER 86 HG SER 86 -17.823 2.182 2.977 Start of MODEL 10 1 H PHE 16 H PHE 16 -1.429 2.610 -0.764 2 HA PHE 16 HA PHE 16 -3.696 1.278 0.889 3 HB2 PHE 16 1HB PHE 16 -2.566 -0.973 0.931 4 HB3 PHE 16 2HB PHE 16 -2.921 -0.394 -0.712 5 HD1 PHE 16 HD1 PHE 16 -0.308 -1.138 1.733 6 HD2 PHE 16 HD2 PHE 16 -1.168 0.236 -2.219 7 HE1 PHE 16 HE1 PHE 16 2.056 -1.486 1.100 8 HE2 PHE 16 HE2 PHE 16 1.195 -0.114 -2.857 9 HZ PHE 16 HZ PHE 16 2.808 -0.974 -1.196 10 H LYS 17 H LYS 17 -0.460 2.405 1.285 11 HA LYS 17 HA LYS 17 0.278 1.127 3.703 12 HB2 LYS 17 1HB LYS 17 0.878 3.916 2.708 13 HB3 LYS 17 2HB LYS 17 1.678 3.135 4.092 14 HG2 LYS 17 1HG LYS 17 2.547 1.380 2.597 15 HG3 LYS 17 2HG LYS 17 1.752 2.167 1.214 16 HD2 LYS 17 1HD LYS 17 3.106 4.201 1.614 17 HD3 LYS 17 2HD LYS 17 3.927 3.372 2.959 18 HE2 LYS 17 1HE LYS 17 4.782 1.677 1.418 19 HE3 LYS 17 2HE LYS 17 3.925 2.454 0.068 20 HZ1 LYS 17 3HZ LYS 17 6.085 3.680 1.659 21 HZ2 LYS 17 1HZ LYS 17 6.242 3.082 0.131 22 HZ3 LYS 17 2HZ LYS 17 5.292 4.402 0.406 23 H SER 18 H SER 18 -0.305 1.220 5.725 24 HA SER 18 HA SER 18 -1.158 2.175 7.762 25 HB2 SER 18 1HB SER 18 -0.165 4.218 6.948 26 HB3 SER 18 2HB SER 18 -1.732 4.616 6.205 27 HG SER 18 HG SER 18 -2.654 4.414 8.296 28 H ARG 19 H ARG 19 -3.159 3.703 5.218 29 HA ARG 19 HA ARG 19 -5.567 3.326 6.737 30 HB2 ARG 19 1HB ARG 19 -5.270 5.134 5.191 31 HB3 ARG 19 2HB ARG 19 -5.265 3.978 3.839 32 HG2 ARG 19 1HG ARG 19 -7.563 3.344 4.328 33 HG3 ARG 19 2HG ARG 19 -7.578 4.409 5.754 34 HD2 ARG 19 1HD ARG 19 -7.315 6.335 4.312 35 HD3 ARG 19 2HD ARG 19 -7.313 5.266 2.890 36 HE ARG 19 HE ARG 19 -9.839 4.922 4.281 37 HH11 ARG 19 1HH1 ARG 19 -8.154 7.363 2.448 38 HH12 ARG 19 2HH1 ARG 19 -9.685 8.016 1.899 39 HH21 ARG 19 1HH2 ARG 19 -11.601 5.664 3.668 40 HH22 ARG 19 2HH2 ARG 19 -11.651 7.049 2.595 41 H LEU 20 H LEU 20 -4.873 1.944 3.513 42 HA LEU 20 HA LEU 20 -6.916 -0.050 3.730 43 HB2 LEU 20 1HB LEU 20 -5.578 0.930 1.828 44 HB3 LEU 20 2HB LEU 20 -4.438 -0.425 2.004 45 HG LEU 20 HG LEU 20 -7.429 -0.631 1.477 46 HD11 LEU 20 1HD1 LEU 20 -6.708 -1.584 -0.729 47 HD12 LEU 20 2HD1 LEU 20 -6.109 0.078 -0.516 48 HD13 LEU 20 3HD1 LEU 20 -5.010 -1.303 -0.278 49 HD21 LEU 20 3HD2 LEU 20 -6.655 -2.444 2.889 50 HD22 LEU 20 1HD2 LEU 20 -7.022 -3.057 1.260 51 HD23 LEU 20 2HD2 LEU 20 -5.332 -2.801 1.755 52 H GLN 21 H GLN 21 -3.446 -0.146 4.464 53 HA GLN 21 HA GLN 21 -3.188 -2.883 5.075 54 HB2 GLN 21 1HB GLN 21 -1.347 -1.255 5.064 55 HB3 GLN 21 2HB GLN 21 -2.011 -0.509 6.536 56 HG2 GLN 21 1HG GLN 21 -1.492 -2.891 7.744 57 HG3 GLN 21 2HG GLN 21 -0.984 -3.166 6.062 58 HE21 GLN 21 2HE2 GLN 21 0.776 -3.637 8.105 59 HE22 GLN 21 1HE2 GLN 21 2.022 -2.434 8.109 60 H GLU 22 H GLU 22 -4.390 -0.262 7.162 61 HA GLU 22 HA GLU 22 -4.789 -1.888 9.487 62 HB2 GLU 22 1HB GLU 22 -4.784 0.571 9.473 63 HB3 GLU 22 2HB GLU 22 -6.310 0.553 8.557 64 HG2 GLU 22 1HG GLU 22 -7.445 -0.555 10.539 65 HG3 GLU 22 2HG GLU 22 -5.836 -0.550 11.295 66 H TYR 23 H TYR 23 -6.991 -1.053 6.814 67 HA TYR 23 HA TYR 23 -9.237 -2.537 7.793 68 HB2 TYR 23 1HB TYR 23 -8.319 -1.728 5.038 69 HB3 TYR 23 2HB TYR 23 -9.807 -2.665 5.312 70 HD1 TYR 23 HD2 TYR 23 -11.550 -1.634 6.924 71 HD2 TYR 23 HD1 TYR 23 -8.383 0.615 5.165 72 HE1 TYR 23 HE2 TYR 23 -12.794 0.453 7.378 73 HE2 TYR 23 HE1 TYR 23 -9.616 2.716 5.612 74 HH TYR 23 HH TYR 23 -12.809 2.724 7.201 75 H ALA 24 H ALA 24 -6.490 -3.502 5.758 76 HA ALA 24 HA ALA 24 -7.435 -6.120 5.166 77 HB1 ALA 24 3HB ALA 24 -4.581 -5.128 5.478 78 HB2 ALA 24 1HB ALA 24 -5.074 -6.645 4.693 79 HB3 ALA 24 2HB ALA 24 -5.549 -5.084 3.986 80 H GLN 25 H GLN 25 -5.512 -4.894 7.893 81 HA GLN 25 HA GLN 25 -5.113 -7.458 9.136 82 HB2 GLN 25 1HB GLN 25 -5.195 -4.636 10.211 83 HB3 GLN 25 2HB GLN 25 -4.812 -6.057 11.212 84 HG2 GLN 25 1HG GLN 25 -2.673 -6.419 9.611 85 HG3 GLN 25 2HG GLN 25 -3.508 -5.054 8.835 86 HE21 GLN 25 2HE2 GLN 25 -0.790 -5.052 9.672 87 HE22 GLN 25 1HE2 GLN 25 -0.620 -3.874 10.931 88 H LYS 26 H LYS 26 -7.642 -4.990 9.503 89 HA LYS 26 HA LYS 26 -9.089 -6.382 11.567 90 HB2 LYS 26 1HB LYS 26 -9.935 -4.385 9.467 91 HB3 LYS 26 2HB LYS 26 -11.013 -5.008 10.740 92 HG2 LYS 26 1HG LYS 26 -9.528 -4.072 12.463 93 HG3 LYS 26 2HG LYS 26 -8.439 -3.460 11.196 94 HD2 LYS 26 1HD LYS 26 -10.233 -2.032 10.323 95 HD3 LYS 26 2HD LYS 26 -11.348 -2.663 11.557 96 HE2 LYS 26 1HE LYS 26 -9.900 -1.762 13.328 97 HE3 LYS 26 2HE LYS 26 -8.786 -1.129 12.094 98 HZ1 LYS 26 3HZ LYS 26 -11.600 -0.316 12.441 99 HZ2 LYS 26 1HZ LYS 26 -10.284 0.568 12.894 100 HZ3 LYS 26 2HZ LYS 26 -10.568 0.271 11.296 101 H TYR 27 H TYR 27 -8.950 -6.746 8.093 102 HA TYR 27 HA TYR 27 -11.313 -8.544 8.106 103 HB2 TYR 27 1HB TYR 27 -9.452 -7.709 5.873 104 HB3 TYR 27 2HB TYR 27 -10.945 -8.664 5.702 105 HD1 TYR 27 HD1 TYR 27 -12.166 -6.742 8.045 106 HD2 TYR 27 HD2 TYR 27 -10.520 -6.161 4.154 107 HE1 TYR 27 HE1 TYR 27 -13.477 -4.653 7.810 108 HE2 TYR 27 HE2 TYR 27 -11.822 -4.074 3.903 109 HH TYR 27 HH TYR 27 -13.991 -2.885 6.481 110 H LYS 28 H LYS 28 -8.205 -8.870 9.018 111 HA LYS 28 HA LYS 28 -6.675 -10.623 9.074 112 HB2 LYS 28 1HB LYS 28 -9.166 -12.273 8.625 113 HB3 LYS 28 2HB LYS 28 -7.599 -12.862 9.229 114 HG2 LYS 28 1HG LYS 28 -7.852 -11.412 11.226 115 HG3 LYS 28 2HG LYS 28 -9.451 -10.906 10.632 116 HD2 LYS 28 1HD LYS 28 -10.185 -13.283 10.684 117 HD3 LYS 28 2HD LYS 28 -8.606 -13.728 11.374 118 HE2 LYS 28 1HE LYS 28 -9.033 -12.289 13.311 119 HE3 LYS 28 2HE LYS 28 -10.600 -11.811 12.620 120 HZ1 LYS 28 3HZ LYS 28 -9.846 -14.547 13.422 121 HZ2 LYS 28 1HZ LYS 28 -10.846 -13.542 14.265 122 HZ3 LYS 28 2HZ LYS 28 -11.299 -14.103 12.782 123 H LEU 29 H LEU 29 -7.162 -9.345 6.530 124 HA LEU 29 HA LEU 29 -6.463 -11.635 4.723 125 HB2 LEU 29 1HB LEU 29 -7.474 -8.918 4.187 126 HB3 LEU 29 2HB LEU 29 -7.147 -10.049 2.853 127 HG LEU 29 HG LEU 29 -9.280 -10.333 5.005 128 HD11 LEU 29 1HD1 LEU 29 -10.866 -10.128 3.072 129 HD12 LEU 29 2HD1 LEU 29 -9.839 -8.682 3.223 130 HD13 LEU 29 3HD1 LEU 29 -9.480 -9.903 1.979 131 HD21 LEU 29 3HD2 LEU 29 -8.341 -12.494 4.434 132 HD22 LEU 29 1HD2 LEU 29 -9.987 -12.355 3.775 133 HD23 LEU 29 2HD2 LEU 29 -8.581 -12.173 2.700 134 HA PRO 30 HA PRO 30 -2.446 -10.246 4.172 135 HB2 PRO 30 1HB PRO 30 -2.977 -10.700 1.533 136 HB3 PRO 30 2HB PRO 30 -1.798 -11.288 2.492 137 HG2 PRO 30 1HG PRO 30 -4.212 -12.233 2.219 138 HG3 PRO 30 2HG PRO 30 -2.838 -13.102 2.358 139 HD2 PRO 30 1HD PRO 30 -5.738 -11.482 2.647 140 HD3 PRO 30 2HD PRO 30 -4.729 -12.496 3.430 141 H THR 31 H THR 31 -1.221 -8.438 3.694 142 HA THR 31 HA THR 31 -2.850 -6.111 2.924 143 HB THR 31 HB THR 31 -0.810 -4.810 3.381 144 HG1 THR 31 HG1 THR 31 0.705 -6.395 2.636 145 HG21 THR 31 1HG2 THR 31 -0.545 -5.371 5.772 146 HG22 THR 31 2HG2 THR 31 -2.256 -5.440 5.284 147 HG23 THR 31 3HG2 THR 31 -1.327 -6.944 5.490 148 HA PRO 32 HA PRO 32 -1.915 -5.784 -1.214 149 HB2 PRO 32 1HB PRO 32 -1.504 -3.143 -0.659 150 HB3 PRO 32 2HB PRO 32 -2.534 -3.859 -1.700 151 HG2 PRO 32 1HG PRO 32 -2.934 -3.404 0.835 152 HG3 PRO 32 2HG PRO 32 -4.029 -3.249 -0.364 153 HD2 PRO 32 1HD PRO 32 -2.100 -4.082 2.216 154 HD3 PRO 32 2HD PRO 32 -3.449 -4.513 1.406 155 H VAL 33 H VAL 33 -0.220 -6.337 -2.419 156 HA VAL 33 HA VAL 33 2.454 -5.282 -1.510 157 HB VAL 33 HB VAL 33 1.776 -7.771 -3.134 158 HG11 VAL 33 1HG1 VAL 33 4.186 -8.272 -2.901 159 HG12 VAL 33 2HG1 VAL 33 3.932 -6.740 -3.770 160 HG13 VAL 33 3HG1 VAL 33 4.427 -6.723 -2.060 161 HG21 VAL 33 3HG2 VAL 33 1.142 -8.035 -0.811 162 HG22 VAL 33 1HG2 VAL 33 2.573 -9.020 -1.190 163 HG23 VAL 33 2HG2 VAL 33 2.757 -7.497 -0.288 164 H TYR 34 H TYR 34 3.581 -4.001 -2.687 165 HA TYR 34 HA TYR 34 2.471 -3.322 -5.379 166 HB2 TYR 34 1HB TYR 34 3.295 -1.197 -5.112 167 HB3 TYR 34 2HB TYR 34 2.772 -1.623 -3.464 168 HD1 TYR 34 HD2 TYR 34 4.447 -2.114 -1.721 169 HD2 TYR 34 HD1 TYR 34 5.635 -0.865 -5.621 170 HE1 TYR 34 HE2 TYR 34 6.713 -1.624 -0.861 171 HE2 TYR 34 HE1 TYR 34 7.911 -0.368 -4.777 172 HH TYR 34 HH TYR 34 8.804 -0.874 -1.361 173 H GLU 35 H GLU 35 3.664 -3.245 -7.198 174 HA GLU 35 HA GLU 35 6.538 -4.047 -6.994 175 HB2 GLU 35 1HB GLU 35 4.480 -5.191 -8.888 176 HB3 GLU 35 2HB GLU 35 6.238 -5.459 -8.985 177 HG2 GLU 35 1HG GLU 35 6.119 -6.607 -6.701 178 HG3 GLU 35 2HG GLU 35 4.377 -6.256 -6.785 179 H ILE 36 H ILE 36 7.901 -3.269 -8.533 180 HA ILE 36 HA ILE 36 6.724 -1.204 -10.380 181 HB ILE 36 HB ILE 36 9.360 -1.096 -8.840 182 HG12 ILE 36 1HG1 ILE 36 6.951 0.689 -8.630 183 HG13 ILE 36 2HG1 ILE 36 7.321 -0.655 -7.526 184 HG21 ILE 36 1HG2 ILE 36 9.606 1.135 -9.877 185 HG22 ILE 36 2HG2 ILE 36 9.539 -0.142 -11.114 186 HG23 ILE 36 3HG2 ILE 36 8.110 0.870 -10.802 187 HD11 ILE 36 3HD1 ILE 36 9.058 1.794 -7.990 188 HD12 ILE 36 1HD1 ILE 36 8.029 1.502 -6.569 189 HD13 ILE 36 2HD1 ILE 36 9.428 0.450 -6.885 190 H VAL 37 H VAL 37 7.079 -1.389 -12.405 191 HA VAL 37 HA VAL 37 9.263 -3.276 -13.289 192 HB VAL 37 HB VAL 37 6.585 -2.677 -14.616 193 HG11 VAL 37 1HG1 VAL 37 7.265 -4.446 -16.204 194 HG12 VAL 37 2HG1 VAL 37 8.415 -3.088 -16.228 195 HG13 VAL 37 3HG1 VAL 37 8.831 -4.592 -15.372 196 HG21 VAL 37 3HG2 VAL 37 6.302 -4.066 -12.651 197 HG22 VAL 37 1HG2 VAL 37 6.043 -5.011 -14.136 198 HG23 VAL 37 2HG2 VAL 37 7.566 -5.177 -13.230 199 H LYS 38 H LYS 38 10.845 -2.504 -14.360 200 HA LYS 38 HA LYS 38 10.573 0.203 -15.576 201 HB2 LYS 38 1HB LYS 38 12.480 -0.292 -14.094 202 HB3 LYS 38 2HB LYS 38 12.986 -1.581 -15.212 203 HG2 LYS 38 1HG LYS 38 13.330 0.087 -16.987 204 HG3 LYS 38 2HG LYS 38 12.819 1.379 -15.874 205 HD2 LYS 38 1HD LYS 38 14.703 0.843 -14.383 206 HD3 LYS 38 2HD LYS 38 15.213 -0.453 -15.492 207 HE2 LYS 38 1HE LYS 38 15.567 1.199 -17.271 208 HE3 LYS 38 2HE LYS 38 15.037 2.498 -16.179 209 HZ1 LYS 38 3HZ LYS 38 17.402 0.781 -15.779 210 HZ2 LYS 38 1HZ LYS 38 17.430 2.349 -16.288 211 HZ3 LYS 38 2HZ LYS 38 16.911 1.985 -14.765 212 H GLU 39 H GLU 39 10.285 0.552 -17.622 213 HA GLU 39 HA GLU 39 11.090 -1.575 -19.569 214 HB2 GLU 39 1HB GLU 39 8.483 -0.046 -19.518 215 HB3 GLU 39 2HB GLU 39 9.049 -1.079 -20.854 216 HG2 GLU 39 1HG GLU 39 8.979 -3.074 -19.253 217 HG3 GLU 39 2HG GLU 39 8.417 -1.893 -18.048 218 H GLY 40 H GLY 40 11.330 -0.844 -21.755 219 HA2 GLY 40 1HA GLY 40 11.511 0.889 -23.391 220 HA3 GLY 40 2HA GLY 40 11.559 2.099 -22.088 221 HA PRO 41 HA PRO 41 15.811 1.105 -23.600 222 HB2 PRO 41 1HB PRO 41 16.284 3.339 -24.649 223 HB3 PRO 41 2HB PRO 41 15.515 2.137 -25.436 224 HG2 PRO 41 1HG PRO 41 14.443 4.295 -24.446 225 HG3 PRO 41 2HG PRO 41 14.061 3.584 -25.864 226 HD2 PRO 41 1HD PRO 41 12.583 3.145 -23.941 227 HD3 PRO 41 2HD PRO 41 12.943 1.941 -24.981 228 H SER 42 H SER 42 17.802 1.745 -22.702 229 HA SER 42 HA SER 42 17.715 2.660 -20.019 230 HB2 SER 42 1HB SER 42 19.944 2.722 -21.960 231 HB3 SER 42 2HB SER 42 20.050 3.042 -20.213 232 HG SER 42 HG SER 42 19.194 0.939 -19.883 233 H HIS 43 H HIS 43 18.179 4.470 -23.066 234 HA HIS 43 HA HIS 43 18.862 6.943 -21.643 235 HB2 HIS 43 1HB HIS 43 18.967 7.929 -23.911 236 HB3 HIS 43 2HB HIS 43 19.885 6.406 -23.849 237 HD2 HIS 43 HD2 HIS 43 19.075 4.476 -25.770 238 HE1 HIS 43 HE1 HIS 43 15.622 6.626 -26.997 239 HE2 HIS 43 HE2 HIS 43 17.196 4.563 -27.420 240 H LYS 44 H LYS 44 15.989 5.361 -22.341 241 HA LYS 44 HA LYS 44 14.436 7.749 -21.603 242 HB2 LYS 44 1HB LYS 44 14.683 7.958 -24.046 243 HB3 LYS 44 2HB LYS 44 13.971 6.338 -24.235 244 HG2 LYS 44 1HG LYS 44 11.865 7.123 -23.273 245 HG3 LYS 44 2HG LYS 44 12.571 8.734 -23.002 246 HD2 LYS 44 1HD LYS 44 12.890 9.011 -25.424 247 HD3 LYS 44 2HD LYS 44 12.199 7.394 -25.702 248 HE2 LYS 44 1HE LYS 44 10.075 8.127 -24.706 249 HE3 LYS 44 2HE LYS 44 10.763 9.743 -24.427 250 HZ1 LYS 44 3HZ LYS 44 10.375 8.478 -27.063 251 HZ2 LYS 44 1HZ LYS 44 9.436 9.676 -26.426 252 HZ3 LYS 44 2HZ LYS 44 11.013 9.978 -26.805 253 H SER 45 H SER 45 14.696 5.779 -19.954 254 HA SER 45 HA SER 45 12.755 3.573 -20.381 255 HB2 SER 45 1HB SER 45 13.425 2.760 -18.355 256 HB3 SER 45 2HB SER 45 14.850 3.209 -19.319 257 HG SER 45 HG SER 45 14.962 5.128 -18.064 258 H LEU 46 H LEU 46 10.843 3.292 -19.281 259 HA LEU 46 HA LEU 46 9.990 5.457 -17.400 260 HB2 LEU 46 1HB LEU 46 8.496 4.100 -19.545 261 HB3 LEU 46 2HB LEU 46 7.613 5.085 -18.355 262 HG LEU 46 HG LEU 46 9.731 6.108 -20.286 263 HD11 LEU 46 1HD1 LEU 46 7.810 7.270 -21.405 264 HD12 LEU 46 2HD1 LEU 46 7.603 5.504 -21.434 265 HD13 LEU 46 3HD1 LEU 46 6.692 6.487 -20.264 266 HD21 LEU 46 3HD2 LEU 46 9.700 7.348 -18.202 267 HD22 LEU 46 1HD2 LEU 46 9.030 8.348 -19.514 268 HD23 LEU 46 2HD2 LEU 46 7.940 7.580 -18.333 269 H PHE 47 H PHE 47 8.666 4.878 -15.719 270 HA PHE 47 HA PHE 47 8.797 1.956 -15.088 271 HB2 PHE 47 1HB PHE 47 8.528 4.410 -13.301 272 HB3 PHE 47 2HB PHE 47 8.447 2.730 -12.724 273 HD1 PHE 47 HD2 PHE 47 10.427 1.289 -12.831 274 HD2 PHE 47 HD1 PHE 47 10.580 5.445 -13.809 275 HE1 PHE 47 HE2 PHE 47 12.885 1.258 -12.570 276 HE2 PHE 47 HE1 PHE 47 13.038 5.417 -13.552 277 HZ PHE 47 HZ PHE 47 14.191 3.323 -12.933 278 H GLN 48 H GLN 48 7.068 0.830 -14.273 279 HA GLN 48 HA GLN 48 4.485 2.286 -14.017 280 HB2 GLN 48 1HB GLN 48 4.566 1.281 -16.279 281 HB3 GLN 48 2HB GLN 48 4.850 -0.308 -15.531 282 HG2 GLN 48 1HG GLN 48 2.378 0.089 -14.377 283 HG3 GLN 48 2HG GLN 48 2.604 1.493 -15.445 284 HE21 GLN 48 2HE2 GLN 48 0.430 -0.282 -15.641 285 HE22 GLN 48 1HE2 GLN 48 0.550 -1.137 -17.143 286 H SER 49 H SER 49 3.266 1.694 -12.368 287 HA SER 49 HA SER 49 4.453 -0.391 -10.523 288 HB2 SER 49 1HB SER 49 3.532 0.774 -8.758 289 HB3 SER 49 2HB SER 49 4.587 1.821 -9.736 290 HG SER 49 HG SER 49 2.633 2.849 -9.127 291 H THR 50 H THR 50 3.105 -1.836 -9.483 292 HA THR 50 HA THR 50 0.185 -1.726 -10.019 293 HB THR 50 HB THR 50 1.171 -3.226 -11.784 294 HG1 THR 50 HG1 THR 50 -0.416 -4.728 -11.463 295 HG21 THR 50 1HG2 THR 50 2.064 -5.416 -11.068 296 HG22 THR 50 2HG2 THR 50 3.080 -4.082 -10.469 297 HG23 THR 50 3HG2 THR 50 1.951 -4.906 -9.367 298 H VAL 51 H VAL 51 -1.103 -2.727 -8.529 299 HA VAL 51 HA VAL 51 0.309 -3.738 -6.062 300 HB VAL 51 HB VAL 51 -2.203 -2.018 -6.212 301 HG11 VAL 51 1HG1 VAL 51 -2.072 -2.061 -3.743 302 HG12 VAL 51 2HG1 VAL 51 -2.270 -3.702 -4.403 303 HG13 VAL 51 3HG1 VAL 51 -0.673 -3.156 -3.836 304 HG21 VAL 51 3HG2 VAL 51 -0.210 -0.707 -6.640 305 HG22 VAL 51 1HG2 VAL 51 -0.882 -0.330 -5.036 306 HG23 VAL 51 2HG2 VAL 51 0.559 -1.364 -5.176 307 H ILE 52 H ILE 52 -0.074 -5.701 -5.578 308 HA ILE 52 HA ILE 52 -2.621 -6.951 -6.561 309 HB ILE 52 HB ILE 52 -0.027 -8.230 -5.576 310 HG12 ILE 52 1HG1 ILE 52 -1.177 -8.181 -8.352 311 HG13 ILE 52 2HG1 ILE 52 0.086 -7.075 -7.764 312 HG21 ILE 52 1HG2 ILE 52 -1.057 -10.341 -6.345 313 HG22 ILE 52 2HG2 ILE 52 -2.032 -9.583 -5.065 314 HG23 ILE 52 3HG2 ILE 52 -2.546 -9.463 -6.764 315 HD11 ILE 52 3HD1 ILE 52 0.303 -10.102 -7.913 316 HD12 ILE 52 1HD1 ILE 52 1.065 -8.947 -9.030 317 HD13 ILE 52 2HD1 ILE 52 1.565 -8.995 -7.323 318 H LEU 53 H LEU 53 -4.208 -7.279 -5.293 319 HA LEU 53 HA LEU 53 -3.654 -7.794 -2.407 320 HB2 LEU 53 1HB LEU 53 -4.070 -5.600 -2.439 321 HB3 LEU 53 2HB LEU 53 -5.457 -5.611 -3.553 322 HG LEU 53 HG LEU 53 -6.711 -6.938 -1.784 323 HD11 LEU 53 1HD1 LEU 53 -5.856 -6.715 0.564 324 HD12 LEU 53 2HD1 LEU 53 -4.721 -7.632 -0.454 325 HD13 LEU 53 3HD1 LEU 53 -4.389 -5.928 -0.062 326 HD21 LEU 53 3HD2 LEU 53 -7.163 -4.591 -2.197 327 HD22 LEU 53 1HD2 LEU 53 -7.278 -4.935 -0.453 328 HD23 LEU 53 2HD2 LEU 53 -5.839 -4.115 -1.106 329 H ASP 54 H ASP 54 -4.646 -9.478 -1.648 330 HA ASP 54 HA ASP 54 -6.033 -11.344 -1.588 331 HB2 ASP 54 1HB ASP 54 -8.110 -9.380 -2.734 332 HB3 ASP 54 2HB ASP 54 -8.294 -11.034 -2.100 333 H GLY 55 H GLY 55 -4.377 -10.894 -3.951 334 HA2 GLY 55 1HA GLY 55 -3.973 -12.380 -5.716 335 HA3 GLY 55 2HA GLY 55 -5.614 -13.040 -5.522 336 H VAL 56 H VAL 56 -5.916 -9.748 -5.538 337 HA VAL 56 HA VAL 56 -6.592 -9.726 -8.472 338 HB VAL 56 HB VAL 56 -7.558 -7.907 -6.225 339 HG11 VAL 56 1HG1 VAL 56 -9.167 -7.111 -7.926 340 HG12 VAL 56 2HG1 VAL 56 -7.490 -6.825 -8.447 341 HG13 VAL 56 3HG1 VAL 56 -8.417 -8.179 -9.136 342 HG21 VAL 56 3HG2 VAL 56 -8.435 -10.148 -5.941 343 HG22 VAL 56 1HG2 VAL 56 -9.713 -9.031 -6.477 344 HG23 VAL 56 2HG2 VAL 56 -8.983 -10.169 -7.635 345 H ARG 57 H ARG 57 -5.222 -8.877 -9.758 346 HA ARG 57 HA ARG 57 -3.189 -7.005 -8.712 347 HB2 ARG 57 1HB ARG 57 -2.548 -8.815 -10.172 348 HB3 ARG 57 2HB ARG 57 -3.536 -8.100 -11.469 349 HG2 ARG 57 1HG ARG 57 -2.130 -6.113 -11.490 350 HG3 ARG 57 2HG ARG 57 -1.180 -6.743 -10.123 351 HD2 ARG 57 1HD ARG 57 -1.354 -7.923 -12.876 352 HD3 ARG 57 2HD ARG 57 -0.006 -6.977 -12.205 353 HE ARG 57 HE ARG 57 -0.245 -9.305 -10.547 354 HH11 ARG 57 1HH1 ARG 57 0.383 -8.667 -13.916 355 HH12 ARG 57 2HH1 ARG 57 1.368 -10.113 -14.013 356 HH21 ARG 57 1HH2 ARG 57 0.872 -10.969 -10.643 357 HH22 ARG 57 2HH2 ARG 57 1.647 -11.428 -12.147 358 H TYR 58 H TYR 58 -3.243 -4.910 -8.785 359 HA TYR 58 HA TYR 58 -5.136 -3.611 -10.722 360 HB2 TYR 58 1HB TYR 58 -4.041 -2.497 -8.134 361 HB3 TYR 58 2HB TYR 58 -5.242 -1.745 -9.212 362 HD1 TYR 58 HD2 TYR 58 -7.437 -3.124 -9.594 363 HD2 TYR 58 HD1 TYR 58 -4.791 -3.749 -6.308 364 HE1 TYR 58 HE2 TYR 58 -9.263 -4.228 -8.347 365 HE2 TYR 58 HE1 TYR 58 -6.610 -4.857 -5.044 366 HH TYR 58 HH TYR 58 -9.881 -5.258 -6.412 367 H ASN 59 H ASN 59 -4.078 -3.033 -12.456 368 HA ASN 59 HA ASN 59 -1.238 -2.182 -12.209 369 HB2 ASN 59 1HB ASN 59 -2.754 -2.707 -14.870 370 HB3 ASN 59 2HB ASN 59 -1.125 -2.208 -14.355 371 HD21 ASN 59 2HD2 ASN 59 -3.238 -4.793 -14.962 372 HD22 ASN 59 1HD2 ASN 59 -2.202 -6.085 -14.454 373 H SER 60 H SER 60 -0.611 -0.189 -12.148 374 HA SER 60 HA SER 60 -2.499 2.060 -12.591 375 HB2 SER 60 1HB SER 60 -0.981 3.409 -11.699 376 HB3 SER 60 2HB SER 60 -0.872 1.901 -10.761 377 HG SER 60 HG SER 60 1.189 2.461 -11.198 378 H LEU 61 H LEU 61 -1.542 3.970 -13.815 379 HA LEU 61 HA LEU 61 -0.964 3.140 -16.564 380 HB2 LEU 61 1HB LEU 61 -1.102 5.727 -15.159 381 HB3 LEU 61 2HB LEU 61 -0.917 5.691 -16.928 382 HG LEU 61 HG LEU 61 -3.296 4.678 -15.324 383 HD11 LEU 61 1HD1 LEU 61 -4.530 6.505 -16.521 384 HD12 LEU 61 2HD1 LEU 61 -3.195 7.160 -15.545 385 HD13 LEU 61 3HD1 LEU 61 -3.012 6.994 -17.308 386 HD21 LEU 61 3HD2 LEU 61 -2.879 3.251 -17.238 387 HD22 LEU 61 1HD2 LEU 61 -4.343 4.223 -17.514 388 HD23 LEU 61 2HD2 LEU 61 -2.816 4.666 -18.316 389 HA PRO 62 HA PRO 62 3.315 3.407 -16.279 390 HB2 PRO 62 1HB PRO 62 3.807 3.187 -18.716 391 HB3 PRO 62 2HB PRO 62 3.160 1.967 -17.851 392 HG2 PRO 62 1HG PRO 62 1.931 3.484 -19.576 393 HG3 PRO 62 2HG PRO 62 1.727 1.878 -19.377 394 HD2 PRO 62 1HD PRO 62 0.033 3.249 -18.253 395 HD3 PRO 62 2HD PRO 62 0.613 1.947 -17.460 396 H GLY 63 H GLY 63 5.165 4.710 -16.774 397 HA2 GLY 63 1HA GLY 63 5.930 6.511 -18.356 398 HA3 GLY 63 2HA GLY 63 4.377 7.313 -18.026 399 H PHE 64 H PHE 64 5.852 5.639 -15.395 400 HA PHE 64 HA PHE 64 6.290 8.143 -13.934 401 HB2 PHE 64 1HB PHE 64 6.797 5.218 -13.241 402 HB3 PHE 64 2HB PHE 64 7.102 6.574 -12.131 403 HD1 PHE 64 HD2 PHE 64 5.096 8.145 -11.676 404 HD2 PHE 64 HD1 PHE 64 4.764 4.180 -13.234 405 HE1 PHE 64 HE2 PHE 64 2.753 8.036 -10.894 406 HE2 PHE 64 HE1 PHE 64 2.419 4.069 -12.457 407 HZ PHE 64 HZ PHE 64 1.415 5.997 -11.287 408 H PHE 65 H PHE 65 8.137 9.083 -13.293 409 HA PHE 65 HA PHE 65 10.525 8.323 -14.921 410 HB2 PHE 65 1HB PHE 65 9.819 10.924 -13.495 411 HB3 PHE 65 2HB PHE 65 11.289 10.636 -14.451 412 HD1 PHE 65 HD2 PHE 65 11.052 10.127 -16.899 413 HD2 PHE 65 HD1 PHE 65 7.849 11.615 -14.495 414 HE1 PHE 65 HE2 PHE 65 9.877 10.883 -18.938 415 HE2 PHE 65 HE1 PHE 65 6.669 12.371 -16.533 416 HZ PHE 65 HZ PHE 65 7.684 12.004 -18.754 417 H ASN 66 H ASN 66 9.306 8.132 -11.769 418 HA ASN 66 HA ASN 66 12.022 7.331 -10.828 419 HB2 ASN 66 1HB ASN 66 10.247 9.202 -9.086 420 HB3 ASN 66 2HB ASN 66 11.653 8.139 -8.827 421 HD21 ASN 66 2HD2 ASN 66 10.481 11.089 -10.239 422 HD22 ASN 66 1HD2 ASN 66 12.028 11.789 -10.582 423 H ARG 67 H ARG 67 12.105 5.724 -9.326 424 HA ARG 67 HA ARG 67 9.881 3.881 -9.267 425 HB2 ARG 67 1HB ARG 67 12.435 3.984 -7.739 426 HB3 ARG 67 2HB ARG 67 11.194 2.728 -7.523 427 HG2 ARG 67 1HG ARG 67 11.411 2.267 -10.010 428 HG3 ARG 67 2HG ARG 67 12.848 3.318 -9.989 429 HD2 ARG 67 1HD ARG 67 12.487 0.834 -8.344 430 HD3 ARG 67 2HD ARG 67 13.363 0.935 -9.888 431 HE ARG 67 HE ARG 67 14.452 1.910 -7.287 432 HH11 ARG 67 1HH1 ARG 67 14.796 1.857 -10.756 433 HH12 ARG 67 2HH1 ARG 67 16.468 2.358 -10.604 434 HH21 ARG 67 1HH2 ARG 67 16.368 2.476 -7.096 435 HH22 ARG 67 2HH2 ARG 67 17.366 2.711 -8.517 436 H LYS 68 H LYS 68 11.118 6.277 -6.964 437 HA LYS 68 HA LYS 68 9.293 5.612 -4.840 438 HB2 LYS 68 1HB LYS 68 10.719 8.167 -5.583 439 HB3 LYS 68 2HB LYS 68 9.740 7.966 -4.111 440 HG2 LYS 68 1HG LYS 68 11.244 6.167 -3.357 441 HG3 LYS 68 2HG LYS 68 12.225 6.372 -4.827 442 HD2 LYS 68 1HD LYS 68 12.711 8.703 -4.165 443 HD3 LYS 68 2HD LYS 68 11.756 8.470 -2.681 444 HE2 LYS 68 1HE LYS 68 13.285 6.696 -1.961 445 HE3 LYS 68 2HE LYS 68 14.231 6.894 -3.453 446 HZ1 LYS 68 3HZ LYS 68 13.867 8.951 -1.369 447 HZ2 LYS 68 1HZ LYS 68 15.233 8.056 -1.605 448 HZ3 LYS 68 2HZ LYS 68 14.744 9.135 -2.754 449 H ALA 69 H ALA 69 9.059 7.844 -7.588 450 HA ALA 69 HA ALA 69 6.501 8.912 -6.855 451 HB1 ALA 69 3HB ALA 69 7.769 8.600 -9.596 452 HB2 ALA 69 1HB ALA 69 6.364 9.619 -9.210 453 HB3 ALA 69 2HB ALA 69 7.955 9.995 -8.506 454 H ALA 70 H ALA 70 7.455 6.131 -8.853 455 HA ALA 70 HA ALA 70 4.800 5.391 -9.620 456 HB1 ALA 70 3HB ALA 70 7.269 3.660 -9.246 457 HB2 ALA 70 1HB ALA 70 5.787 3.185 -10.106 458 HB3 ALA 70 2HB ALA 70 6.797 4.507 -10.738 459 H GLU 71 H GLU 71 6.790 4.550 -6.805 460 HA GLU 71 HA GLU 71 4.967 2.615 -5.706 461 HB2 GLU 71 1HB GLU 71 7.321 2.852 -5.041 462 HB3 GLU 71 2HB GLU 71 6.941 4.433 -4.315 463 HG2 GLU 71 1HG GLU 71 5.406 3.254 -2.662 464 HG3 GLU 71 2HG GLU 71 5.840 1.765 -3.533 465 H GLN 72 H GLN 72 5.331 6.116 -5.158 466 HA GLN 72 HA GLN 72 3.312 6.309 -3.142 467 HB2 GLN 72 1HB GLN 72 4.990 8.049 -3.678 468 HB3 GLN 72 2HB GLN 72 4.147 8.349 -5.215 469 HG2 GLN 72 1HG GLN 72 3.193 10.133 -3.603 470 HG3 GLN 72 2HG GLN 72 2.199 8.706 -3.981 471 HE21 GLN 72 2HE2 GLN 72 0.953 8.998 -2.101 472 HE22 GLN 72 1HE2 GLN 72 1.573 8.618 -0.528 473 H SER 73 H SER 73 3.112 6.695 -6.677 474 HA SER 73 HA SER 73 0.290 7.338 -6.809 475 HB2 SER 73 1HB SER 73 2.123 6.170 -8.814 476 HB3 SER 73 2HB SER 73 0.446 6.697 -9.089 477 HG SER 73 HG SER 73 2.573 8.314 -8.133 478 H ALA 74 H ALA 74 2.141 4.283 -6.852 479 HA ALA 74 HA ALA 74 -0.014 2.535 -7.451 480 HB1 ALA 74 3HB ALA 74 2.425 2.041 -5.712 481 HB2 ALA 74 1HB ALA 74 1.365 0.788 -6.394 482 HB3 ALA 74 2HB ALA 74 2.332 1.820 -7.474 483 H ALA 75 H ALA 75 1.145 3.785 -4.327 484 HA ALA 75 HA ALA 75 -0.781 2.366 -2.743 485 HB1 ALA 75 3HB ALA 75 0.651 4.987 -2.190 486 HB2 ALA 75 1HB ALA 75 -0.222 4.005 -0.991 487 HB3 ALA 75 2HB ALA 75 1.241 3.361 -1.773 488 H GLU 76 H GLU 76 -0.814 5.571 -4.276 489 HA GLU 76 HA GLU 76 -3.309 6.450 -3.186 490 HB2 GLU 76 1HB GLU 76 -1.896 7.057 -5.783 491 HB3 GLU 76 2HB GLU 76 -3.394 7.865 -5.260 492 HG2 GLU 76 1HG GLU 76 -2.198 8.839 -3.290 493 HG3 GLU 76 2HG GLU 76 -0.823 7.806 -3.741 494 H VAL 77 H VAL 77 -2.563 4.554 -6.095 495 HA VAL 77 HA VAL 77 -5.327 4.391 -7.001 496 HB VAL 77 HB VAL 77 -2.889 2.651 -7.553 497 HG11 VAL 77 1HG1 VAL 77 -4.225 1.709 -9.407 498 HG12 VAL 77 2HG1 VAL 77 -4.980 1.364 -7.834 499 HG13 VAL 77 3HG1 VAL 77 -5.634 2.653 -8.872 500 HG21 VAL 77 3HG2 VAL 77 -2.679 4.914 -8.392 501 HG22 VAL 77 1HG2 VAL 77 -2.895 3.760 -9.730 502 HG23 VAL 77 2HG2 VAL 77 -4.257 4.779 -9.205 503 H ALA 78 H ALA 78 -3.306 2.298 -4.974 504 HA ALA 78 HA ALA 78 -5.229 0.229 -4.651 505 HB1 ALA 78 3HB ALA 78 -3.128 1.219 -2.694 506 HB2 ALA 78 1HB ALA 78 -3.987 -0.335 -2.600 507 HB3 ALA 78 2HB ALA 78 -2.887 -0.007 -3.961 508 H LEU 79 H LEU 79 -4.790 3.293 -2.921 509 HA LEU 79 HA LEU 79 -6.889 2.772 -0.988 510 HB2 LEU 79 1HB LEU 79 -5.572 5.176 -2.058 511 HB3 LEU 79 2HB LEU 79 -6.732 5.360 -0.721 512 HG LEU 79 HG LEU 79 -4.123 3.796 -0.640 513 HD11 LEU 79 1HD1 LEU 79 -3.410 5.569 0.986 514 HD12 LEU 79 2HD1 LEU 79 -3.796 6.268 -0.604 515 HD13 LEU 79 3HD1 LEU 79 -4.961 6.401 0.735 516 HD21 LEU 79 3HD2 LEU 79 -5.830 2.757 0.732 517 HD22 LEU 79 1HD2 LEU 79 -4.600 3.521 1.768 518 HD23 LEU 79 2HD2 LEU 79 -6.178 4.311 1.527 519 H ARG 80 H ARG 80 -6.790 4.242 -4.194 520 HA ARG 80 HA ARG 80 -9.524 5.137 -4.225 521 HB2 ARG 80 1HB ARG 80 -7.664 4.355 -6.418 522 HB3 ARG 80 2HB ARG 80 -9.331 4.922 -6.675 523 HG2 ARG 80 1HG ARG 80 -8.802 7.052 -5.622 524 HG3 ARG 80 2HG ARG 80 -7.153 6.488 -5.258 525 HD2 ARG 80 1HD ARG 80 -6.687 6.349 -7.630 526 HD3 ARG 80 2HD ARG 80 -8.331 6.929 -7.984 527 HE ARG 80 HE ARG 80 -7.042 8.993 -6.446 528 HH11 ARG 80 1HH1 ARG 80 -6.565 7.436 -9.529 529 HH12 ARG 80 2HH1 ARG 80 -5.871 8.910 -10.173 530 HH21 ARG 80 1HH2 ARG 80 -6.242 10.687 -7.167 531 HH22 ARG 80 2HH2 ARG 80 -5.685 10.765 -8.827 532 H GLU 81 H GLU 81 -8.021 2.006 -4.870 533 HA GLU 81 HA GLU 81 -10.509 0.743 -5.710 534 HB2 GLU 81 1HB GLU 81 -7.883 -0.338 -4.683 535 HB3 GLU 81 2HB GLU 81 -9.244 -1.357 -5.209 536 HG2 GLU 81 1HG GLU 81 -7.638 0.564 -7.001 537 HG3 GLU 81 2HG GLU 81 -7.621 -1.212 -6.911 538 H LEU 82 H LEU 82 -8.783 1.073 -2.626 539 HA LEU 82 HA LEU 82 -10.545 -0.464 -1.017 540 HB2 LEU 82 1HB LEU 82 -8.613 0.277 -0.172 541 HB3 LEU 82 2HB LEU 82 -8.857 2.019 -0.449 542 HG LEU 82 HG LEU 82 -10.766 1.922 1.198 543 HD11 LEU 82 1HD1 LEU 82 -10.798 -0.030 2.775 544 HD12 LEU 82 2HD1 LEU 82 -11.142 -0.542 1.106 545 HD13 LEU 82 3HD1 LEU 82 -9.528 -0.814 1.806 546 HD21 LEU 82 3HD2 LEU 82 -8.601 2.817 1.824 547 HD22 LEU 82 1HD2 LEU 82 -9.309 1.929 3.194 548 HD23 LEU 82 2HD2 LEU 82 -8.011 1.186 2.228 549 H ALA 83 H ALA 83 -10.754 2.989 -1.902 550 HA ALA 83 HA ALA 83 -13.254 3.439 -0.599 551 HB1 ALA 83 3HB ALA 83 -12.067 4.805 -3.039 552 HB2 ALA 83 1HB ALA 83 -13.417 5.420 -2.058 553 HB3 ALA 83 2HB ALA 83 -11.795 5.268 -1.343 554 H LYS 84 H LYS 84 -12.463 2.371 -3.893 555 HA LYS 84 HA LYS 84 -15.119 2.398 -4.935 556 HB2 LYS 84 1HB LYS 84 -13.084 2.126 -6.281 557 HB3 LYS 84 2HB LYS 84 -12.834 0.519 -5.556 558 HG2 LYS 84 1HG LYS 84 -14.904 -0.291 -6.565 559 HG3 LYS 84 2HG LYS 84 -15.235 1.324 -7.233 560 HD2 LYS 84 1HD LYS 84 -13.195 1.192 -8.594 561 HD3 LYS 84 2HD LYS 84 -12.837 -0.411 -7.911 562 HE2 LYS 84 1HE LYS 84 -14.938 -1.279 -8.856 563 HE3 LYS 84 2HE LYS 84 -15.285 0.322 -9.547 564 HZ1 LYS 84 3HZ LYS 84 -12.973 -1.376 -10.232 565 HZ2 LYS 84 1HZ LYS 84 -14.311 -1.155 -11.170 566 HZ3 LYS 84 2HZ LYS 84 -13.294 0.109 -10.874 567 H SER 85 H SER 85 -13.397 -0.030 -3.021 568 HA SER 85 HA SER 85 -15.623 -2.003 -3.250 569 HB2 SER 85 1HB SER 85 -14.299 -3.451 -2.086 570 HB3 SER 85 2HB SER 85 -13.355 -2.698 -3.391 571 HG SER 85 HG SER 85 -12.449 -1.319 -1.795 572 H SER 86 H SER 86 -14.919 0.748 -1.383 573 HA SER 86 HA SER 86 -15.778 -0.154 1.273 574 HB2 SER 86 1HB SER 86 -14.297 1.612 1.078 575 HB3 SER 86 2HB SER 86 -15.461 2.548 0.114 576 HG SER 86 HG SER 86 -15.491 3.111 2.334
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