NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13627 | 1v9w | 10080 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 8.203 5.491 26.552 2 HA2 GLY 1 1HA GLY 1 9.519 5.454 24.673 3 HA3 GLY 1 2HA GLY 1 8.192 4.614 23.884 4 H SER 2 H SER 2 10.032 7.411 23.938 5 HA SER 2 HA SER 2 8.014 9.162 22.822 6 HB2 SER 2 1HB SER 2 9.911 10.774 22.611 7 HB3 SER 2 2HB SER 2 9.695 10.161 24.250 8 HG SER 2 HG SER 2 11.500 8.988 24.072 9 H GLU 3 H GLU 3 7.352 8.599 20.832 10 HA GLU 3 HA GLU 3 9.407 8.011 18.807 11 HB2 GLU 3 1HB GLU 3 7.589 6.923 17.525 12 HB3 GLU 3 2HB GLU 3 7.864 6.170 19.089 13 HG2 GLU 3 1HG GLU 3 5.568 6.258 18.971 14 HG3 GLU 3 2HG GLU 3 5.955 7.701 19.905 15 H GLY 4 H GLY 4 8.662 8.648 16.524 16 HA2 GLY 4 1HA GLY 4 7.056 11.084 16.466 17 HA3 GLY 4 2HA GLY 4 8.751 11.252 16.033 18 H ALA 5 H ALA 5 5.919 11.240 14.645 19 HA ALA 5 HA ALA 5 6.902 9.857 12.244 20 HB1 ALA 5 1HB ALA 5 5.345 8.290 12.803 21 HB2 ALA 5 2HB ALA 5 4.325 9.446 13.662 22 HB3 ALA 5 3HB ALA 5 4.318 9.403 11.899 23 H ALA 6 H ALA 6 7.490 11.813 11.304 24 HA ALA 6 HA ALA 6 5.607 13.984 11.087 25 HB1 ALA 6 1HB ALA 6 7.550 15.059 10.942 26 HB2 ALA 6 2HB ALA 6 8.427 13.573 10.573 27 HB3 ALA 6 3HB ALA 6 7.644 14.480 9.278 28 H THR 7 H THR 7 3.866 12.867 10.035 29 HA THR 7 HA THR 7 2.583 12.362 8.223 30 HB THR 7 HB THR 7 4.786 13.567 6.544 31 HG1 THR 7 1HG THR 7 3.263 15.465 6.781 32 HG21 THR 7 1HG2 THR 7 2.559 14.239 5.274 33 HG22 THR 7 2HG2 THR 7 1.949 12.794 6.081 34 HG23 THR 7 3HG2 THR 7 3.340 12.682 5.004 35 H MET 8 H MET 8 4.257 10.347 9.220 36 HA MET 8 HA MET 8 5.496 9.010 6.971 37 HB2 MET 8 1HB MET 8 5.249 8.466 9.900 38 HB3 MET 8 2HB MET 8 5.651 7.138 8.820 39 HG2 MET 8 1HG MET 8 7.190 9.705 9.129 40 HG3 MET 8 2HG MET 8 7.648 8.128 9.766 41 HE1 MET 8 1HE MET 8 10.027 8.188 8.649 42 HE2 MET 8 2HE MET 8 9.226 6.617 8.612 43 HE3 MET 8 3HE MET 8 10.107 7.192 7.196 44 H ALA 9 H ALA 9 4.755 7.198 5.931 45 HA ALA 9 HA ALA 9 2.010 6.849 5.614 46 HB1 ALA 9 1HB ALA 9 3.703 4.501 5.046 47 HB2 ALA 9 2HB ALA 9 2.551 5.350 4.015 48 HB3 ALA 9 3HB ALA 9 4.170 6.007 4.255 49 H THR 10 H THR 10 1.141 4.403 5.793 50 HA THR 10 HA THR 10 1.788 3.199 8.351 51 HB THR 10 HB THR 10 -0.513 3.295 9.207 52 HG1 THR 10 1HG THR 10 -0.956 4.410 6.730 53 HG21 THR 10 1HG2 THR 10 0.647 6.015 8.588 54 HG22 THR 10 2HG2 THR 10 1.079 4.988 9.955 55 HG23 THR 10 3HG2 THR 10 -0.544 5.668 9.841 56 H PHE 11 H PHE 11 1.155 1.066 8.513 57 HA PHE 11 HA PHE 11 -0.304 -0.051 6.214 58 HB2 PHE 11 1HB PHE 11 1.201 -1.908 6.086 59 HB3 PHE 11 2HB PHE 11 2.180 -0.445 6.086 60 HD1 PHE 11 2HD PHE 11 3.220 0.284 8.294 61 HD2 PHE 11 1HD PHE 11 1.570 -3.587 7.651 62 HE1 PHE 11 2HE PHE 11 4.508 -0.579 10.205 63 HE2 PHE 11 1HE PHE 11 2.855 -4.455 9.562 64 HZ PHE 11 HZ PHE 11 4.327 -2.951 10.841 65 H GLU 12 H GLU 12 -1.445 -2.022 6.619 66 HA GLU 12 HA GLU 12 -1.914 -2.593 9.468 67 HB2 GLU 12 1HB GLU 12 -3.747 -1.201 8.555 68 HB3 GLU 12 2HB GLU 12 -4.043 -2.425 7.328 69 HG2 GLU 12 1HG GLU 12 -4.614 -4.038 9.068 70 HG3 GLU 12 2HG GLU 12 -4.312 -2.815 10.301 71 H GLU 13 H GLU 13 -1.541 -4.648 9.935 72 HA GLU 13 HA GLU 13 -1.373 -6.605 7.786 73 HB2 GLU 13 1HB GLU 13 0.278 -6.236 9.822 74 HB3 GLU 13 2HB GLU 13 -0.853 -7.305 10.640 75 HG2 GLU 13 1HG GLU 13 0.594 -7.940 8.079 76 HG3 GLU 13 2HG GLU 13 1.057 -8.505 9.683 77 H VAL 14 H VAL 14 -2.935 -8.004 7.335 78 HA VAL 14 HA VAL 14 -4.888 -8.679 9.430 79 HB VAL 14 HB VAL 14 -5.540 -8.042 6.549 80 HG11 VAL 14 1HG1 VAL 14 -6.808 -9.878 8.133 81 HG12 VAL 14 2HG1 VAL 14 -7.745 -8.413 8.431 82 HG13 VAL 14 3HG1 VAL 14 -7.544 -9.013 6.784 83 HG21 VAL 14 1HG2 VAL 14 -7.073 -6.530 8.377 84 HG22 VAL 14 2HG2 VAL 14 -5.389 -6.412 8.888 85 HG23 VAL 14 3HG2 VAL 14 -5.846 -5.955 7.247 86 H SER 15 H SER 15 -4.758 -10.783 9.810 87 HA SER 15 HA SER 15 -3.753 -12.591 7.768 88 HB2 SER 15 1HB SER 15 -2.863 -12.865 10.005 89 HB3 SER 15 2HB SER 15 -4.487 -13.036 10.671 90 HG SER 15 HG SER 15 -2.911 -14.875 9.354 91 H VAL 16 H VAL 16 -4.966 -13.908 6.568 92 HA VAL 16 HA VAL 16 -7.656 -14.628 7.447 93 HB VAL 16 HB VAL 16 -8.541 -14.128 5.134 94 HG11 VAL 16 1HG1 VAL 16 -7.654 -11.804 6.841 95 HG12 VAL 16 2HG1 VAL 16 -8.921 -11.747 5.614 96 HG13 VAL 16 3HG1 VAL 16 -9.126 -12.753 7.048 97 HG21 VAL 16 1HG2 VAL 16 -7.267 -13.210 3.550 98 HG22 VAL 16 2HG2 VAL 16 -6.631 -11.994 4.657 99 HG23 VAL 16 3HG2 VAL 16 -5.885 -13.590 4.577 100 H LEU 17 H LEU 17 -8.650 -16.223 5.835 101 HA LEU 17 HA LEU 17 -6.670 -17.816 4.407 102 HB2 LEU 17 1HB LEU 17 -6.511 -18.932 6.439 103 HB3 LEU 17 2HB LEU 17 -8.224 -18.724 6.796 104 HG LEU 17 HG LEU 17 -8.807 -20.430 5.185 105 HD11 LEU 17 1HD1 LEU 17 -7.168 -21.657 3.931 106 HD12 LEU 17 2HD1 LEU 17 -5.854 -20.749 4.677 107 HD13 LEU 17 3HD1 LEU 17 -6.978 -19.938 3.586 108 HD21 LEU 17 1HD2 LEU 17 -8.555 -21.709 6.996 109 HD22 LEU 17 2HD2 LEU 17 -7.054 -20.908 7.459 110 HD23 LEU 17 3HD2 LEU 17 -7.026 -22.219 6.279 111 H GLY 18 H GLY 18 -7.480 -18.238 2.469 112 HA2 GLY 18 1HA GLY 18 -9.067 -19.298 1.048 113 HA3 GLY 18 2HA GLY 18 -10.315 -18.963 2.239 114 H PHE 19 H PHE 19 -11.123 -18.382 -0.140 115 HA PHE 19 HA PHE 19 -10.387 -15.718 -0.974 116 HB2 PHE 19 1HB PHE 19 -11.067 -17.587 -2.546 117 HB3 PHE 19 2HB PHE 19 -12.715 -17.364 -1.968 118 HD1 PHE 19 2HD PHE 19 -13.657 -14.945 -2.144 119 HD2 PHE 19 1HD PHE 19 -10.330 -16.390 -4.370 120 HE1 PHE 19 2HE PHE 19 -13.997 -13.161 -3.803 121 HE2 PHE 19 1HE PHE 19 -10.663 -14.607 -6.032 122 HZ PHE 19 HZ PHE 19 -12.500 -12.990 -5.751 123 H GLU 20 H GLU 20 -13.089 -17.276 0.668 124 HA GLU 20 HA GLU 20 -14.941 -15.226 0.677 125 HB2 GLU 20 1HB GLU 20 -14.318 -17.241 2.839 126 HB3 GLU 20 2HB GLU 20 -15.739 -16.206 2.842 127 HG2 GLU 20 1HG GLU 20 -15.120 -18.057 0.566 128 HG3 GLU 20 2HG GLU 20 -16.024 -18.577 1.987 129 H GLU 21 H GLU 21 -12.769 -15.931 3.419 130 HA GLU 21 HA GLU 21 -13.195 -13.584 4.819 131 HB2 GLU 21 1HB GLU 21 -10.810 -15.416 4.675 132 HB3 GLU 21 2HB GLU 21 -10.835 -14.014 5.736 133 HG2 GLU 21 1HG GLU 21 -12.943 -16.152 5.809 134 HG3 GLU 21 2HG GLU 21 -11.470 -16.217 6.776 135 H PHE 22 H PHE 22 -10.653 -14.276 2.430 136 HA PHE 22 HA PHE 22 -9.241 -11.927 2.503 137 HB2 PHE 22 1HB PHE 22 -8.379 -13.580 1.087 138 HB3 PHE 22 2HB PHE 22 -9.911 -13.791 0.245 139 HD1 PHE 22 2HD PHE 22 -7.793 -10.803 0.957 140 HD2 PHE 22 1HD PHE 22 -9.657 -13.265 -1.972 141 HE1 PHE 22 2HE PHE 22 -7.026 -9.274 -0.811 142 HE2 PHE 22 1HE PHE 22 -8.892 -11.740 -3.745 143 HZ PHE 22 HZ PHE 22 -7.576 -9.741 -3.166 144 H ASP 23 H ASP 23 -12.209 -12.585 0.676 145 HA ASP 23 HA ASP 23 -12.397 -10.095 -0.605 146 HB2 ASP 23 1HB ASP 23 -13.735 -12.276 -1.011 147 HB3 ASP 23 2HB ASP 23 -14.813 -11.672 0.244 148 H LYS 24 H LYS 24 -13.821 -11.241 2.442 149 HA LYS 24 HA LYS 24 -15.282 -8.986 3.119 150 HB2 LYS 24 1HB LYS 24 -14.972 -11.337 4.294 151 HB3 LYS 24 2HB LYS 24 -13.805 -10.448 5.264 152 HG2 LYS 24 1HG LYS 24 -15.417 -9.097 6.210 153 HG3 LYS 24 2HG LYS 24 -16.560 -9.361 4.891 154 HD2 LYS 24 1HD LYS 24 -16.889 -11.667 5.635 155 HD3 LYS 24 2HD LYS 24 -15.734 -11.413 6.945 156 HE2 LYS 24 1HE LYS 24 -18.210 -9.738 6.615 157 HE3 LYS 24 2HE LYS 24 -18.197 -11.239 7.540 158 HZ1 LYS 24 1HZ LYS 24 -17.586 -8.778 8.507 159 HZ2 LYS 24 2HZ LYS 24 -16.061 -9.463 8.254 160 HZ3 LYS 24 3HZ LYS 24 -17.187 -10.248 9.242 161 H ALA 25 H ALA 25 -11.980 -9.778 4.219 162 HA ALA 25 HA ALA 25 -11.444 -7.389 5.529 163 HB1 ALA 25 1HB ALA 25 -10.071 -9.686 5.127 164 HB2 ALA 25 2HB ALA 25 -9.157 -8.570 4.112 165 HB3 ALA 25 3HB ALA 25 -9.378 -8.223 5.827 166 H VAL 26 H VAL 26 -11.122 -8.214 2.116 167 HA VAL 26 HA VAL 26 -9.722 -5.919 1.291 168 HB VAL 26 HB VAL 26 -11.607 -7.726 -0.219 169 HG11 VAL 26 1HG1 VAL 26 -11.625 -6.286 -1.907 170 HG12 VAL 26 2HG1 VAL 26 -10.658 -5.148 -0.967 171 HG13 VAL 26 3HG1 VAL 26 -9.865 -6.356 -1.979 172 HG21 VAL 26 1HG2 VAL 26 -9.819 -9.003 -0.715 173 HG22 VAL 26 2HG2 VAL 26 -8.737 -7.617 -0.859 174 HG23 VAL 26 3HG2 VAL 26 -9.132 -8.266 0.732 175 H LYS 27 H LYS 27 -13.199 -6.633 0.905 176 HA LYS 27 HA LYS 27 -14.021 -4.162 0.003 177 HB2 LYS 27 1HB LYS 27 -15.409 -6.265 1.643 178 HB3 LYS 27 2HB LYS 27 -16.233 -4.776 1.199 179 HG2 LYS 27 1HG LYS 27 -15.755 -5.297 -1.186 180 HG3 LYS 27 2HG LYS 27 -15.106 -6.854 -0.664 181 HD2 LYS 27 1HD LYS 27 -17.226 -7.535 0.192 182 HD3 LYS 27 2HD LYS 27 -17.897 -5.916 -0.021 183 HE2 LYS 27 1HE LYS 27 -17.457 -6.200 -2.493 184 HE3 LYS 27 2HE LYS 27 -17.116 -7.896 -2.150 185 HZ1 LYS 27 1HZ LYS 27 -19.675 -6.455 -1.748 186 HZ2 LYS 27 2HZ LYS 27 -19.376 -7.998 -1.125 187 HZ3 LYS 27 3HZ LYS 27 -19.371 -7.747 -2.798 188 H GLU 28 H GLU 28 -13.291 -5.180 3.273 189 HA GLU 28 HA GLU 28 -14.437 -2.960 4.606 190 HB2 GLU 28 1HB GLU 28 -12.415 -5.044 5.338 191 HB3 GLU 28 2HB GLU 28 -12.658 -3.662 6.397 192 HG2 GLU 28 1HG GLU 28 -15.195 -4.368 6.115 193 HG3 GLU 28 2HG GLU 28 -14.458 -5.937 5.796 194 H HIS 29 H HIS 29 -11.271 -3.568 3.200 195 HA HIS 29 HA HIS 29 -10.443 -0.844 3.942 196 HB2 HIS 29 1HB HIS 29 -8.632 -3.015 2.894 197 HB3 HIS 29 2HB HIS 29 -8.181 -1.539 3.742 198 HD1 HIS 29 1HD HIS 29 -9.304 -1.500 6.327 199 HD2 HIS 29 2HD HIS 29 -8.559 -5.165 4.516 200 HE1 HIS 29 1HE HIS 29 -9.223 -3.173 8.203 201 HE2 HIS 29 2HE HIS 29 -8.687 -5.369 7.091 202 H GLU 30 H GLU 30 -12.236 -1.583 1.715 203 HA GLU 30 HA GLU 30 -10.843 -1.432 -0.741 204 HB2 GLU 30 1HB GLU 30 -12.983 -1.077 -1.761 205 HB3 GLU 30 2HB GLU 30 -13.192 -2.241 -0.460 206 HG2 GLU 30 1HG GLU 30 -13.965 -0.354 0.987 207 HG3 GLU 30 2HG GLU 30 -13.943 0.669 -0.448 208 H SER 31 H SER 31 -11.845 0.950 1.563 209 HA SER 31 HA SER 31 -11.822 3.213 -0.140 210 HB2 SER 31 1HB SER 31 -11.268 3.144 2.834 211 HB3 SER 31 2HB SER 31 -11.813 4.531 1.891 212 HG SER 31 HG SER 31 -13.507 3.421 3.044 213 H LYS 32 H LYS 32 -9.345 1.579 1.749 214 HA LYS 32 HA LYS 32 -7.344 3.464 0.694 215 HB2 LYS 32 1HB LYS 32 -7.065 1.586 3.046 216 HB3 LYS 32 2HB LYS 32 -5.910 2.812 2.539 217 HG2 LYS 32 1HG LYS 32 -7.129 4.525 3.411 218 HG3 LYS 32 2HG LYS 32 -8.669 3.691 3.188 219 HD2 LYS 32 1HD LYS 32 -8.477 2.522 5.152 220 HD3 LYS 32 2HD LYS 32 -6.712 2.566 5.131 221 HE2 LYS 32 1HE LYS 32 -7.225 4.028 6.850 222 HE3 LYS 32 2HE LYS 32 -7.022 5.116 5.478 223 HZ1 LYS 32 1HZ LYS 32 -9.056 5.412 6.979 224 HZ2 LYS 32 2HZ LYS 32 -9.685 4.060 6.181 225 HZ3 LYS 32 3HZ LYS 32 -9.293 5.453 5.304 226 H THR 33 H THR 33 -5.162 2.456 0.300 227 HA THR 33 HA THR 33 -5.324 0.515 -1.689 228 HB THR 33 HB THR 33 -2.927 1.291 -0.017 229 HG1 THR 33 1HG THR 33 -2.516 2.465 -2.098 230 HG21 THR 33 1HG2 THR 33 -3.252 -0.526 -2.352 231 HG22 THR 33 2HG2 THR 33 -2.141 -0.630 -0.985 232 HG23 THR 33 3HG2 THR 33 -1.823 0.506 -2.296 233 H ILE 34 H ILE 34 -5.095 -1.669 -1.751 234 HA ILE 34 HA ILE 34 -4.782 -3.051 0.835 235 HB ILE 34 HB ILE 34 -6.502 -3.900 -1.498 236 HG12 ILE 34 1HG1 ILE 34 -7.339 -3.102 1.295 237 HG13 ILE 34 2HG1 ILE 34 -7.361 -2.003 -0.080 238 HG21 ILE 34 1HG2 ILE 34 -6.238 -5.959 -0.695 239 HG22 ILE 34 2HG2 ILE 34 -5.382 -5.369 0.729 240 HG23 ILE 34 3HG2 ILE 34 -7.145 -5.432 0.722 241 HD11 ILE 34 1HD1 ILE 34 -9.012 -3.325 -1.188 242 HD12 ILE 34 2HD1 ILE 34 -8.892 -4.587 0.039 243 HD13 ILE 34 3HD1 ILE 34 -9.558 -3.009 0.459 244 H PHE 35 H PHE 35 -3.524 -4.885 0.899 245 HA PHE 35 HA PHE 35 -2.158 -5.652 -1.590 246 HB2 PHE 35 1HB PHE 35 -0.981 -4.754 0.989 247 HB3 PHE 35 2HB PHE 35 -0.176 -6.080 0.157 248 HD1 PHE 35 2HD PHE 35 0.311 -5.679 -2.379 249 HD2 PHE 35 1HD PHE 35 -0.426 -2.587 0.452 250 HE1 PHE 35 2HE PHE 35 1.448 -4.067 -3.849 251 HE2 PHE 35 1HE PHE 35 0.709 -0.970 -1.014 252 HZ PHE 35 HZ PHE 35 1.648 -1.709 -3.167 253 H ALA 36 H ALA 36 -2.823 -7.660 -1.985 254 HA ALA 36 HA ALA 36 -3.300 -9.499 0.238 255 HB1 ALA 36 1HB ALA 36 -5.100 -9.758 -1.119 256 HB2 ALA 36 2HB ALA 36 -4.204 -9.334 -2.578 257 HB3 ALA 36 3HB ALA 36 -4.037 -10.944 -1.876 258 H TYR 37 H TYR 37 -1.863 -10.989 0.803 259 HA TYR 37 HA TYR 37 0.315 -11.615 -1.076 260 HB2 TYR 37 1HB TYR 37 1.000 -10.540 1.052 261 HB3 TYR 37 2HB TYR 37 0.296 -11.889 1.937 262 HD1 TYR 37 1HD TYR 37 2.567 -11.569 -1.023 263 HD2 TYR 37 2HD TYR 37 1.893 -13.297 2.806 264 HE1 TYR 37 1HE TYR 37 4.694 -12.790 -1.206 265 HE2 TYR 37 2HE TYR 37 4.018 -14.522 2.634 266 HH TYR 37 HH TYR 37 5.922 -14.752 1.468 267 H PHE 38 H PHE 38 -0.907 -13.238 -2.145 268 HA PHE 38 HA PHE 38 -2.050 -15.444 -0.759 269 HB2 PHE 38 1HB PHE 38 -1.181 -15.389 -3.651 270 HB3 PHE 38 2HB PHE 38 -2.417 -16.409 -2.923 271 HD1 PHE 38 1HD PHE 38 -4.451 -15.200 -1.893 272 HD2 PHE 38 2HD PHE 38 -1.774 -13.403 -4.671 273 HE1 PHE 38 1HE PHE 38 -6.166 -13.529 -2.459 274 HE2 PHE 38 2HE PHE 38 -3.484 -11.728 -5.241 275 HZ PHE 38 HZ PHE 38 -5.683 -11.789 -4.134 276 H SER 39 H SER 39 -0.864 -16.823 0.385 277 HA SER 39 HA SER 39 1.425 -18.104 -0.898 278 HB2 SER 39 1HB SER 39 2.767 -17.881 1.207 279 HB3 SER 39 2HB SER 39 2.486 -16.350 0.378 280 HG SER 39 HG SER 39 1.691 -15.707 2.205 281 H GLY 40 H GLY 40 2.101 -20.088 0.224 282 HA2 GLY 40 1HA GLY 40 -0.032 -21.786 0.775 283 HA3 GLY 40 2HA GLY 40 1.642 -22.112 1.203 284 H SER 41 H SER 41 -0.585 -22.926 2.735 285 HA SER 41 HA SER 41 -1.069 -21.151 4.900 286 HB2 SER 41 1HB SER 41 -2.661 -22.910 4.396 287 HB3 SER 41 2HB SER 41 -1.434 -24.148 4.670 288 HG SER 41 HG SER 41 -1.328 -23.311 6.867 289 H LYS 42 H LYS 42 -0.322 -21.287 7.054 290 HA LYS 42 HA LYS 42 2.461 -22.075 7.247 291 HB2 LYS 42 1HB LYS 42 0.613 -20.631 9.150 292 HB3 LYS 42 2HB LYS 42 2.290 -21.007 9.523 293 HG2 LYS 42 1HG LYS 42 2.782 -19.752 7.297 294 HG3 LYS 42 2HG LYS 42 1.178 -19.061 7.557 295 HD2 LYS 42 1HD LYS 42 2.021 -18.521 9.925 296 HD3 LYS 42 2HD LYS 42 3.632 -18.827 9.272 297 HE2 LYS 42 1HE LYS 42 2.793 -17.177 7.387 298 HE3 LYS 42 2HE LYS 42 1.715 -16.631 8.671 299 HZ1 LYS 42 1HZ LYS 42 4.464 -16.928 9.486 300 HZ2 LYS 42 2HZ LYS 42 3.387 -15.653 9.757 301 HZ3 LYS 42 3HZ LYS 42 4.231 -15.750 8.294 302 H ASP 43 H ASP 43 3.309 -23.549 8.714 303 HA ASP 43 HA ASP 43 1.505 -25.694 9.450 304 HB2 ASP 43 1HB ASP 43 4.466 -25.580 10.007 305 HB3 ASP 43 2HB ASP 43 3.444 -27.005 9.839 306 H THR 44 H THR 44 2.432 -26.782 11.684 307 HA THR 44 HA THR 44 1.271 -25.311 13.740 308 HB THR 44 HB THR 44 2.312 -26.911 15.296 309 HG1 THR 44 1HG THR 44 3.743 -28.484 14.438 310 HG21 THR 44 1HG2 THR 44 1.559 -29.044 13.980 311 HG22 THR 44 2HG2 THR 44 1.013 -27.872 12.781 312 HG23 THR 44 3HG2 THR 44 0.373 -27.817 14.423 313 H GLU 45 H GLU 45 4.648 -25.538 12.737 314 HA GLU 45 HA GLU 45 5.668 -24.029 14.935 315 HB2 GLU 45 1HB GLU 45 6.873 -25.667 13.261 316 HB3 GLU 45 2HB GLU 45 7.105 -24.202 12.319 317 HG2 GLU 45 1HG GLU 45 9.017 -24.756 13.776 318 HG3 GLU 45 2HG GLU 45 8.321 -23.170 14.101 319 H GLY 46 H GLY 46 4.164 -23.227 11.949 320 HA2 GLY 46 1HA GLY 46 3.293 -21.049 11.545 321 HA3 GLY 46 2HA GLY 46 4.576 -20.383 12.544 322 H LYS 47 H LYS 47 4.992 -22.739 9.959 323 HA LYS 47 HA LYS 47 6.305 -20.663 8.338 324 HB2 LYS 47 1HB LYS 47 7.334 -23.459 8.855 325 HB3 LYS 47 2HB LYS 47 8.038 -22.319 7.716 326 HG2 LYS 47 1HG LYS 47 7.748 -21.662 10.627 327 HG3 LYS 47 2HG LYS 47 9.140 -22.549 10.001 328 HD2 LYS 47 1HD LYS 47 9.960 -20.736 8.872 329 HD3 LYS 47 2HD LYS 47 8.361 -20.026 8.634 330 HE2 LYS 47 1HE LYS 47 9.326 -18.597 10.181 331 HE3 LYS 47 2HE LYS 47 8.394 -19.693 11.199 332 HZ1 LYS 47 1HZ LYS 47 10.985 -19.114 11.566 333 HZ2 LYS 47 2HZ LYS 47 11.104 -20.546 10.674 334 HZ3 LYS 47 3HZ LYS 47 10.237 -20.525 12.126 335 H SER 48 H SER 48 6.266 -20.987 6.083 336 HA SER 48 HA SER 48 4.022 -22.626 5.199 337 HB2 SER 48 1HB SER 48 5.574 -20.358 3.979 338 HB3 SER 48 2HB SER 48 4.546 -21.382 2.976 339 HG SER 48 HG SER 48 3.583 -19.411 3.954 340 H TRP 49 H TRP 49 4.216 -24.444 4.050 341 HA TRP 49 HA TRP 49 6.362 -26.040 3.914 342 HB2 TRP 49 1HB TRP 49 5.372 -26.909 1.680 343 HB3 TRP 49 2HB TRP 49 4.380 -26.993 3.133 344 HD1 TRP 49 HD TRP 49 2.268 -25.354 3.279 345 HE1 TRP 49 1HE TRP 49 0.968 -24.064 1.471 346 HE3 TRP 49 3HE TRP 49 5.658 -25.666 -0.535 347 HZ2 TRP 49 2HZ TRP 49 1.331 -23.282 -1.217 348 HZ3 TRP 49 3HZ TRP 49 5.105 -24.621 -2.693 349 HH2 TRP 49 HH TRP 49 2.986 -23.454 -3.025 350 H CYS 50 H CYS 50 5.657 -23.435 1.637 351 HA CYS 50 HA CYS 50 7.901 -24.005 -0.049 352 HB2 CYS 50 1HB CYS 50 5.815 -22.835 -0.809 353 HB3 CYS 50 2HB CYS 50 6.316 -21.438 0.135 354 HG CYS 50 HG CYS 50 8.223 -22.736 -2.388 355 HA PRO 51 HA PRO 51 10.985 -22.081 2.475 356 HB2 PRO 51 1HB PRO 51 12.962 -22.038 0.615 357 HB3 PRO 51 2HB PRO 51 12.472 -23.510 1.460 358 HG2 PRO 51 1HG PRO 51 11.721 -22.558 -1.277 359 HG3 PRO 51 2HG PRO 51 12.170 -24.189 -0.743 360 HD2 PRO 51 1HD PRO 51 9.597 -23.441 -1.134 361 HD3 PRO 51 2HD PRO 51 10.069 -24.628 0.098 362 H ASP 52 H ASP 52 9.599 -20.770 -0.358 363 HA ASP 52 HA ASP 52 11.150 -18.336 -0.374 364 HB2 ASP 52 1HB ASP 52 9.860 -19.547 -2.342 365 HB3 ASP 52 2HB ASP 52 8.520 -18.556 -1.773 366 H CYS 53 H CYS 53 7.669 -18.972 0.100 367 HA CYS 53 HA CYS 53 6.878 -16.531 1.028 368 HB2 CYS 53 1HB CYS 53 5.934 -19.188 2.125 369 HB3 CYS 53 2HB CYS 53 5.055 -17.665 2.188 370 HG CYS 53 HG CYS 53 5.843 -19.322 -0.702 371 H VAL 54 H VAL 54 8.694 -18.972 2.743 372 HA VAL 54 HA VAL 54 8.406 -17.762 5.327 373 HB VAL 54 HB VAL 54 10.421 -19.799 4.369 374 HG11 VAL 54 1HG1 VAL 54 11.260 -18.745 6.339 375 HG12 VAL 54 2HG1 VAL 54 9.688 -18.851 7.133 376 HG13 VAL 54 3HG1 VAL 54 10.614 -20.317 6.809 377 HG21 VAL 54 1HG2 VAL 54 8.594 -21.098 4.241 378 HG22 VAL 54 2HG2 VAL 54 8.684 -21.114 6.003 379 HG23 VAL 54 3HG2 VAL 54 7.611 -19.978 5.185 380 H GLU 55 H GLU 55 10.676 -17.535 2.676 381 HA GLU 55 HA GLU 55 12.496 -15.888 4.256 382 HB2 GLU 55 1HB GLU 55 13.243 -17.713 2.606 383 HB3 GLU 55 2HB GLU 55 12.810 -16.571 1.342 384 HG2 GLU 55 1HG GLU 55 15.050 -16.162 1.586 385 HG3 GLU 55 2HG GLU 55 14.354 -14.944 2.654 386 H ALA 56 H ALA 56 9.805 -15.507 2.286 387 HA ALA 56 HA ALA 56 10.591 -12.834 1.380 388 HB1 ALA 56 1HB ALA 56 9.124 -13.054 -0.315 389 HB2 ALA 56 2HB ALA 56 9.270 -14.773 0.050 390 HB3 ALA 56 3HB ALA 56 7.914 -13.847 0.693 391 H GLU 57 H GLU 57 8.534 -14.467 3.651 392 HA GLU 57 HA GLU 57 6.569 -12.669 4.233 393 HB2 GLU 57 1HB GLU 57 6.386 -14.503 5.578 394 HB3 GLU 57 2HB GLU 57 8.120 -14.614 5.846 395 HG2 GLU 57 1HG GLU 57 7.068 -14.087 7.917 396 HG3 GLU 57 2HG GLU 57 7.958 -12.667 7.370 397 HA PRO 58 HA PRO 58 9.536 -10.165 7.119 398 HB2 PRO 58 1HB PRO 58 12.193 -10.678 6.903 399 HB3 PRO 58 2HB PRO 58 11.137 -11.538 8.030 400 HG2 PRO 58 1HG PRO 58 12.126 -12.391 5.337 401 HG3 PRO 58 2HG PRO 58 11.999 -13.335 6.833 402 HD2 PRO 58 1HD PRO 58 10.174 -13.511 4.840 403 HD3 PRO 58 2HD PRO 58 9.743 -13.715 6.550 404 H VAL 59 H VAL 59 10.491 -11.042 3.878 405 HA VAL 59 HA VAL 59 11.892 -8.601 3.323 406 HB VAL 59 HB VAL 59 10.753 -10.546 1.316 407 HG11 VAL 59 1HG1 VAL 59 11.431 -8.752 0.063 408 HG12 VAL 59 2HG1 VAL 59 12.688 -8.285 1.210 409 HG13 VAL 59 3HG1 VAL 59 12.937 -9.665 0.141 410 HG21 VAL 59 1HG2 VAL 59 13.585 -10.648 2.255 411 HG22 VAL 59 2HG2 VAL 59 12.327 -11.448 3.198 412 HG23 VAL 59 3HG2 VAL 59 12.599 -11.912 1.518 413 H ILE 60 H ILE 60 8.605 -9.725 3.067 414 HA ILE 60 HA ILE 60 7.796 -7.432 1.466 415 HB ILE 60 HB ILE 60 6.118 -9.655 2.635 416 HG12 ILE 60 1HG1 ILE 60 7.440 -9.272 -0.042 417 HG13 ILE 60 2HG1 ILE 60 7.522 -10.664 1.032 418 HG21 ILE 60 1HG2 ILE 60 5.225 -7.986 0.348 419 HG22 ILE 60 2HG2 ILE 60 4.281 -8.779 1.607 420 HG23 ILE 60 3HG2 ILE 60 5.149 -7.286 1.965 421 HD11 ILE 60 1HD1 ILE 60 4.852 -10.513 0.464 422 HD12 ILE 60 2HD1 ILE 60 5.602 -10.018 -1.053 423 HD13 ILE 60 3HD1 ILE 60 6.017 -11.571 -0.329 424 H ARG 61 H ARG 61 7.412 -8.692 4.741 425 HA ARG 61 HA ARG 61 5.583 -6.751 5.654 426 HB2 ARG 61 1HB ARG 61 7.423 -8.711 6.932 427 HB3 ARG 61 2HB ARG 61 6.797 -7.409 7.935 428 HG2 ARG 61 1HG ARG 61 4.886 -8.976 6.280 429 HG3 ARG 61 2HG ARG 61 5.548 -9.707 7.744 430 HD2 ARG 61 1HD ARG 61 4.869 -7.434 8.836 431 HD3 ARG 61 2HD ARG 61 3.797 -7.306 7.442 432 HE ARG 61 HE ARG 61 2.439 -8.847 8.425 433 HH11 ARG 61 2HH1 ARG 61 5.623 -9.142 9.801 434 HH12 ARG 61 1HH1 ARG 61 5.149 -10.327 10.972 435 HH21 ARG 61 2HH2 ARG 61 1.802 -10.407 9.963 436 HH22 ARG 61 1HH2 ARG 61 2.976 -11.046 11.063 437 H GLU 62 H GLU 62 9.123 -6.892 5.719 438 HA GLU 62 HA GLU 62 9.507 -4.508 7.183 439 HB2 GLU 62 1HB GLU 62 11.274 -6.068 5.307 440 HB3 GLU 62 2HB GLU 62 11.820 -4.589 6.084 441 HG2 GLU 62 1HG GLU 62 11.251 -5.668 8.284 442 HG3 GLU 62 2HG GLU 62 11.021 -7.171 7.393 443 H GLY 63 H GLY 63 9.490 -5.173 3.691 444 HA2 GLY 63 1HA GLY 63 10.111 -2.585 2.817 445 HA3 GLY 63 2HA GLY 63 9.224 -3.782 1.886 446 H LEU 64 H LEU 64 6.988 -4.049 3.599 447 HA LEU 64 HA LEU 64 5.249 -2.172 2.619 448 HB2 LEU 64 1HB LEU 64 5.210 -3.928 5.026 449 HB3 LEU 64 2HB LEU 64 3.937 -2.726 4.828 450 HG LEU 64 HG LEU 64 4.548 -4.719 2.669 451 HD11 LEU 64 1HD1 LEU 64 3.975 -6.335 4.110 452 HD12 LEU 64 2HD1 LEU 64 2.338 -5.716 3.899 453 HD13 LEU 64 3HD1 LEU 64 3.305 -5.196 5.279 454 HD21 LEU 64 1HD2 LEU 64 3.132 -2.688 2.245 455 HD22 LEU 64 2HD2 LEU 64 1.975 -3.339 3.406 456 HD23 LEU 64 3HD2 LEU 64 2.342 -4.233 1.930 457 H LYS 65 H LYS 65 7.423 -1.882 5.311 458 HA LYS 65 HA LYS 65 6.203 0.359 6.554 459 HB2 LYS 65 1HB LYS 65 8.955 -0.845 6.656 460 HB3 LYS 65 2HB LYS 65 8.600 0.666 7.484 461 HG2 LYS 65 1HG LYS 65 6.700 -0.581 8.619 462 HG3 LYS 65 2HG LYS 65 7.444 -2.055 7.995 463 HD2 LYS 65 1HD LYS 65 9.206 -1.927 9.419 464 HD3 LYS 65 2HD LYS 65 9.236 -0.162 9.393 465 HE2 LYS 65 1HE LYS 65 7.578 0.011 11.013 466 HE3 LYS 65 2HE LYS 65 6.993 -1.627 10.729 467 HZ1 LYS 65 1HZ LYS 65 8.992 -0.717 12.540 468 HZ2 LYS 65 2HZ LYS 65 9.597 -1.931 11.529 469 HZ3 LYS 65 3HZ LYS 65 8.218 -2.219 12.465 470 H HIS 66 H HIS 66 8.616 -0.009 4.017 471 HA HIS 66 HA HIS 66 9.421 2.687 3.867 472 HB2 HIS 66 1HB HIS 66 9.395 0.529 1.749 473 HB3 HIS 66 2HB HIS 66 10.194 2.088 1.568 474 HD1 HIS 66 1HD HIS 66 12.614 1.910 1.969 475 HD2 HIS 66 2HD HIS 66 10.474 -0.754 4.331 476 HE1 HIS 66 1HE HIS 66 14.339 0.669 3.314 477 HE2 HIS 66 2HE HIS 66 13.026 -0.996 4.673 478 H VAL 67 H VAL 67 6.577 1.061 2.802 479 HA VAL 67 HA VAL 67 5.677 2.474 0.652 480 HB VAL 67 HB VAL 67 4.496 0.628 2.047 481 HG11 VAL 67 1HG1 VAL 67 2.967 1.258 3.679 482 HG12 VAL 67 2HG1 VAL 67 4.366 2.274 4.033 483 HG13 VAL 67 3HG1 VAL 67 2.979 2.949 3.178 484 HG21 VAL 67 1HG2 VAL 67 2.932 0.849 0.482 485 HG22 VAL 67 2HG2 VAL 67 2.333 2.339 1.212 486 HG23 VAL 67 3HG2 VAL 67 3.661 2.397 0.053 487 H THR 68 H THR 68 4.764 4.438 0.243 488 HA THR 68 HA THR 68 4.966 6.425 2.399 489 HB THR 68 HB THR 68 6.288 6.775 0.274 490 HG1 THR 68 1HG THR 68 5.416 8.476 1.789 491 HG21 THR 68 1HG2 THR 68 5.225 6.514 -1.670 492 HG22 THR 68 2HG2 THR 68 4.336 7.996 -1.317 493 HG23 THR 68 3HG2 THR 68 3.661 6.432 -0.862 494 H GLU 69 H GLU 69 2.679 4.504 1.421 495 HA GLU 69 HA GLU 69 0.584 6.540 1.692 496 HB2 GLU 69 1HB GLU 69 -0.780 5.095 0.056 497 HB3 GLU 69 2HB GLU 69 0.451 6.159 -0.611 498 HG2 GLU 69 1HG GLU 69 1.993 4.122 -0.529 499 HG3 GLU 69 2HG GLU 69 0.520 3.182 -0.299 500 H ASP 70 H ASP 70 -1.377 5.786 2.615 501 HA ASP 70 HA ASP 70 -0.999 3.755 4.588 502 HB2 ASP 70 1HB ASP 70 -3.566 4.226 4.899 503 HB3 ASP 70 2HB ASP 70 -2.377 5.437 5.371 504 H CYS 71 H CYS 71 -0.794 1.732 3.771 505 HA CYS 71 HA CYS 71 -2.919 0.756 1.987 506 HB2 CYS 71 1HB CYS 71 -0.135 -0.324 2.474 507 HB3 CYS 71 2HB CYS 71 -1.333 -1.078 1.428 508 HG CYS 71 HG CYS 71 0.921 0.872 0.464 509 H VAL 72 H VAL 72 -3.270 -1.712 2.281 510 HA VAL 72 HA VAL 72 -3.317 -2.397 5.140 511 HB VAL 72 HB VAL 72 -5.648 -2.710 3.243 512 HG11 VAL 72 1HG1 VAL 72 -4.958 -4.235 5.497 513 HG12 VAL 72 2HG1 VAL 72 -6.268 -3.167 6.005 514 HG13 VAL 72 3HG1 VAL 72 -6.487 -4.237 4.620 515 HG21 VAL 72 1HG2 VAL 72 -4.889 -0.651 5.176 516 HG22 VAL 72 2HG2 VAL 72 -6.040 -0.585 3.842 517 HG23 VAL 72 3HG2 VAL 72 -6.526 -1.270 5.393 518 H PHE 73 H PHE 73 -1.744 -3.948 4.986 519 HA PHE 73 HA PHE 73 -1.536 -5.850 2.918 520 HB2 PHE 73 1HB PHE 73 0.277 -5.208 4.551 521 HB3 PHE 73 2HB PHE 73 -0.554 -6.188 5.755 522 HD1 PHE 73 2HD PHE 73 0.668 -6.505 2.241 523 HD2 PHE 73 1HD PHE 73 0.212 -8.322 6.063 524 HE1 PHE 73 2HE PHE 73 1.859 -8.499 1.431 525 HE2 PHE 73 1HE PHE 73 1.403 -10.319 5.260 526 HZ PHE 73 HZ PHE 73 2.228 -10.410 2.941 527 H ILE 74 H ILE 74 -2.074 -8.054 2.868 528 HA ILE 74 HA ILE 74 -3.885 -9.064 4.923 529 HB ILE 74 HB ILE 74 -4.634 -9.033 1.997 530 HG12 ILE 74 1HG1 ILE 74 -5.907 -7.593 4.334 531 HG13 ILE 74 2HG1 ILE 74 -4.875 -6.834 3.128 532 HG21 ILE 74 1HG2 ILE 74 -6.358 -9.927 4.285 533 HG22 ILE 74 2HG2 ILE 74 -6.573 -10.219 2.559 534 HG23 ILE 74 3HG2 ILE 74 -5.284 -11.041 3.438 535 HD11 ILE 74 1HD1 ILE 74 -6.547 -7.612 1.404 536 HD12 ILE 74 2HD1 ILE 74 -7.608 -8.009 2.756 537 HD13 ILE 74 3HD1 ILE 74 -7.084 -6.344 2.506 538 H TYR 75 H TYR 75 -2.764 -10.812 5.532 539 HA TYR 75 HA TYR 75 -1.224 -12.381 3.687 540 HB2 TYR 75 1HB TYR 75 -0.689 -11.991 6.148 541 HB3 TYR 75 2HB TYR 75 -1.961 -13.153 6.510 542 HD1 TYR 75 1HD TYR 75 -1.700 -15.519 5.863 543 HD2 TYR 75 2HD TYR 75 1.439 -12.702 5.305 544 HE1 TYR 75 1HE TYR 75 -0.100 -17.367 5.583 545 HE2 TYR 75 2HE TYR 75 3.047 -14.542 5.022 546 HH TYR 75 HH TYR 75 3.352 -16.785 5.336 547 H CYS 76 H CYS 76 -2.710 -13.152 2.169 548 HA CYS 76 HA CYS 76 -4.919 -14.809 3.076 549 HB2 CYS 76 1HB CYS 76 -5.335 -13.322 1.203 550 HB3 CYS 76 2HB CYS 76 -3.998 -14.029 0.303 551 HG CYS 76 HG CYS 76 -5.193 -16.432 -0.197 552 H GLN 77 H GLN 77 -4.741 -16.919 3.396 553 HA GLN 77 HA GLN 77 -2.378 -18.317 2.406 554 HB2 GLN 77 1HB GLN 77 -4.469 -19.008 4.463 555 HB3 GLN 77 2HB GLN 77 -3.276 -20.174 3.908 556 HG2 GLN 77 1HG GLN 77 -1.502 -18.985 4.843 557 HG3 GLN 77 2HG GLN 77 -2.456 -17.510 5.001 558 HE21 GLN 77 1HE2 GLN 77 -4.609 -18.093 6.316 559 HE22 GLN 77 2HE2 GLN 77 -4.286 -18.827 7.846 560 H VAL 78 H VAL 78 -2.527 -19.258 0.485 561 HA VAL 78 HA VAL 78 -4.876 -19.767 -0.924 562 HB VAL 78 HB VAL 78 -3.478 -21.268 -2.358 563 HG11 VAL 78 1HG1 VAL 78 -3.243 -19.262 -3.317 564 HG12 VAL 78 2HG1 VAL 78 -3.015 -18.448 -1.768 565 HG13 VAL 78 3HG1 VAL 78 -1.650 -19.233 -2.562 566 HG21 VAL 78 1HG2 VAL 78 -1.873 -22.297 -1.113 567 HG22 VAL 78 2HG2 VAL 78 -0.924 -20.933 -1.704 568 HG23 VAL 78 3HG2 VAL 78 -1.612 -20.891 -0.081 569 H GLY 79 H GLY 79 -2.902 -21.945 1.067 570 HA2 GLY 79 1HA GLY 79 -4.713 -23.455 2.284 571 HA3 GLY 79 2HA GLY 79 -4.810 -24.114 0.658 572 H ASP 80 H ASP 80 -3.841 -26.033 0.686 573 HA ASP 80 HA ASP 80 -1.435 -26.420 2.295 574 HB2 ASP 80 1HB ASP 80 -2.886 -28.503 0.661 575 HB3 ASP 80 2HB ASP 80 -1.765 -28.764 1.994 576 H LYS 81 H LYS 81 0.308 -27.813 1.267 577 HA LYS 81 HA LYS 81 1.486 -26.441 -0.854 578 HB2 LYS 81 1HB LYS 81 3.068 -27.610 0.303 579 HB3 LYS 81 2HB LYS 81 2.009 -28.988 0.574 580 HG2 LYS 81 1HG LYS 81 2.482 -29.917 -1.508 581 HG3 LYS 81 2HG LYS 81 3.109 -28.396 -2.147 582 HD2 LYS 81 1HD LYS 81 5.071 -29.515 -1.756 583 HD3 LYS 81 2HD LYS 81 4.867 -28.692 -0.207 584 HE2 LYS 81 1HE LYS 81 3.616 -30.827 0.512 585 HE3 LYS 81 2HE LYS 81 4.374 -31.570 -0.896 586 HZ1 LYS 81 1HZ LYS 81 6.251 -31.792 0.230 587 HZ2 LYS 81 2HZ LYS 81 5.479 -31.206 1.617 588 HZ3 LYS 81 3HZ LYS 81 6.301 -30.140 0.592 589 HA PRO 82 HA PRO 82 0.146 -30.060 -3.763 590 HB2 PRO 82 1HB PRO 82 -1.667 -31.831 -2.791 591 HB3 PRO 82 2HB PRO 82 0.078 -32.048 -2.613 592 HG2 PRO 82 1HG PRO 82 -1.911 -30.989 -0.641 593 HG3 PRO 82 2HG PRO 82 -0.570 -32.120 -0.381 594 HD2 PRO 82 1HD PRO 82 -0.406 -29.494 0.258 595 HD3 PRO 82 2HD PRO 82 0.999 -30.435 -0.284 596 H TYR 83 H TYR 83 -1.833 -28.137 -1.822 597 HA TYR 83 HA TYR 83 -4.229 -28.459 -3.430 598 HB2 TYR 83 1HB TYR 83 -4.640 -28.105 -1.112 599 HB3 TYR 83 2HB TYR 83 -3.549 -26.726 -1.056 600 HD1 TYR 83 2HD TYR 83 -4.222 -24.578 -2.110 601 HD2 TYR 83 1HD TYR 83 -6.914 -27.857 -1.783 602 HE1 TYR 83 2HE TYR 83 -6.113 -23.060 -2.523 603 HE2 TYR 83 1HE TYR 83 -8.812 -26.348 -2.196 604 HH TYR 83 HH TYR 83 -8.779 -23.213 -1.844 605 H TRP 84 H TRP 84 -1.576 -26.208 -3.033 606 HA TRP 84 HA TRP 84 -2.644 -24.045 -4.479 607 HB2 TRP 84 1HB TRP 84 -0.736 -23.555 -3.205 608 HB3 TRP 84 2HB TRP 84 0.157 -24.932 -3.844 609 HD1 TRP 84 HD TRP 84 2.123 -24.017 -5.196 610 HE1 TRP 84 1HE TRP 84 2.456 -22.163 -6.949 611 HE3 TRP 84 3HE TRP 84 -2.588 -22.031 -5.182 612 HZ2 TRP 84 2HZ TRP 84 0.925 -20.127 -8.165 613 HZ3 TRP 84 3HZ TRP 84 -3.071 -20.131 -6.669 614 HH2 TRP 84 HH TRP 84 -1.350 -19.200 -8.129 615 H LYS 85 H LYS 85 -1.082 -27.005 -5.487 616 HA LYS 85 HA LYS 85 -0.458 -26.294 -8.133 617 HB2 LYS 85 1HB LYS 85 -1.199 -29.006 -7.018 618 HB3 LYS 85 2HB LYS 85 -0.425 -28.721 -8.571 619 HG2 LYS 85 1HG LYS 85 1.587 -28.102 -7.601 620 HG3 LYS 85 2HG LYS 85 0.838 -27.740 -6.045 621 HD2 LYS 85 1HD LYS 85 0.276 -30.252 -5.972 622 HD3 LYS 85 2HD LYS 85 1.480 -30.411 -7.253 623 HE2 LYS 85 1HE LYS 85 3.169 -29.418 -5.822 624 HE3 LYS 85 2HE LYS 85 1.973 -29.156 -4.554 625 HZ1 LYS 85 1HZ LYS 85 1.775 -31.454 -4.188 626 HZ2 LYS 85 2HZ LYS 85 3.438 -31.169 -4.304 627 HZ3 LYS 85 3HZ LYS 85 2.604 -31.850 -5.608 628 H ASP 86 H ASP 86 -3.427 -27.428 -6.642 629 HA ASP 86 HA ASP 86 -4.954 -28.240 -8.737 630 HB2 ASP 86 1HB ASP 86 -6.106 -26.284 -6.769 631 HB3 ASP 86 2HB ASP 86 -6.854 -27.716 -7.471 632 HA PRO 87 HA PRO 87 -4.574 -24.572 -11.344 633 HB2 PRO 87 1HB PRO 87 -5.455 -25.816 -13.591 634 HB3 PRO 87 2HB PRO 87 -3.794 -25.959 -13.002 635 HG2 PRO 87 1HG PRO 87 -6.089 -27.854 -12.677 636 HG3 PRO 87 2HG PRO 87 -4.395 -28.204 -13.069 637 HD2 PRO 87 1HD PRO 87 -5.407 -28.511 -10.576 638 HD3 PRO 87 2HD PRO 87 -3.722 -28.039 -10.871 639 H ASN 88 H ASN 88 -7.265 -26.437 -10.381 640 HA ASN 88 HA ASN 88 -9.168 -24.679 -11.748 641 HB2 ASN 88 1HB ASN 88 -9.726 -27.145 -10.085 642 HB3 ASN 88 2HB ASN 88 -10.875 -26.279 -11.100 643 HD21 ASN 88 1HD2 ASN 88 -9.109 -28.971 -10.953 644 HD22 ASN 88 2HD2 ASN 88 -8.844 -29.270 -12.634 645 H ASN 89 H ASN 89 -7.473 -23.834 -9.478 646 HA ASN 89 HA ASN 89 -9.325 -23.542 -7.264 647 HB2 ASN 89 1HB ASN 89 -6.447 -22.864 -7.731 648 HB3 ASN 89 2HB ASN 89 -7.318 -22.055 -6.431 649 HD21 ASN 89 1HD2 ASN 89 -5.151 -23.659 -5.926 650 HD22 ASN 89 2HD2 ASN 89 -5.670 -25.084 -5.099 651 H ASP 90 H ASP 90 -10.182 -21.595 -6.531 652 HA ASP 90 HA ASP 90 -11.033 -19.772 -8.471 653 HB2 ASP 90 1HB ASP 90 -10.882 -19.348 -5.479 654 HB3 ASP 90 2HB ASP 90 -11.879 -18.433 -6.607 655 H PHE 91 H PHE 91 -8.076 -19.973 -6.784 656 HA PHE 91 HA PHE 91 -7.383 -17.198 -6.892 657 HB2 PHE 91 1HB PHE 91 -5.726 -19.687 -6.452 658 HB3 PHE 91 2HB PHE 91 -5.069 -18.055 -6.380 659 HD1 PHE 91 2HD PHE 91 -5.944 -16.470 -4.644 660 HD2 PHE 91 1HD PHE 91 -6.852 -20.629 -4.623 661 HE1 PHE 91 2HE PHE 91 -6.594 -16.313 -2.276 662 HE2 PHE 91 1HE PHE 91 -7.504 -20.478 -2.256 663 HZ PHE 91 HZ PHE 91 -7.375 -18.319 -1.079 664 H ARG 92 H ARG 92 -6.708 -20.037 -8.886 665 HA ARG 92 HA ARG 92 -5.181 -18.423 -10.772 666 HB2 ARG 92 1HB ARG 92 -5.861 -21.358 -10.970 667 HB3 ARG 92 2HB ARG 92 -4.610 -20.490 -11.850 668 HG2 ARG 92 1HG ARG 92 -3.217 -20.361 -10.006 669 HG3 ARG 92 2HG ARG 92 -4.539 -20.622 -8.866 670 HD2 ARG 92 1HD ARG 92 -4.562 -22.897 -9.204 671 HD3 ARG 92 2HD ARG 92 -3.870 -22.769 -10.821 672 HE ARG 92 HE ARG 92 -2.439 -22.945 -8.324 673 HH11 ARG 92 2HH1 ARG 92 -2.299 -22.001 -11.672 674 HH12 ARG 92 1HH1 ARG 92 -0.574 -22.130 -11.772 675 HH21 ARG 92 2HH2 ARG 92 -0.168 -23.119 -8.443 676 HH22 ARG 92 1HH2 ARG 92 0.637 -22.767 -9.934 677 H GLN 93 H GLN 93 -8.375 -19.247 -10.244 678 HA GLN 93 HA GLN 93 -9.083 -19.192 -13.085 679 HB2 GLN 93 1HB GLN 93 -10.826 -19.717 -10.672 680 HB3 GLN 93 2HB GLN 93 -11.324 -19.856 -12.353 681 HG2 GLN 93 1HG GLN 93 -8.988 -21.448 -11.448 682 HG3 GLN 93 2HG GLN 93 -10.598 -21.953 -10.936 683 HE21 GLN 93 1HE2 GLN 93 -8.500 -22.992 -12.887 684 HE22 GLN 93 2HE2 GLN 93 -9.405 -23.320 -14.322 685 H LYS 94 H LYS 94 -9.908 -17.567 -10.033 686 HA LYS 94 HA LYS 94 -11.189 -15.406 -11.527 687 HB2 LYS 94 1HB LYS 94 -11.007 -15.884 -8.546 688 HB3 LYS 94 2HB LYS 94 -11.934 -14.606 -9.321 689 HG2 LYS 94 1HG LYS 94 -13.066 -16.608 -10.574 690 HG3 LYS 94 2HG LYS 94 -12.473 -17.530 -9.190 691 HD2 LYS 94 1HD LYS 94 -13.554 -15.526 -7.846 692 HD3 LYS 94 2HD LYS 94 -14.530 -15.381 -9.310 693 HE2 LYS 94 1HE LYS 94 -14.176 -18.046 -8.003 694 HE3 LYS 94 2HE LYS 94 -15.339 -16.894 -7.349 695 HZ1 LYS 94 1HZ LYS 94 -15.317 -18.129 -10.039 696 HZ2 LYS 94 2HZ LYS 94 -16.258 -16.771 -9.677 697 HZ3 LYS 94 3HZ LYS 94 -16.522 -18.225 -8.855 698 H LEU 95 H LEU 95 -8.759 -15.748 -8.937 699 HA LEU 95 HA LEU 95 -7.836 -13.055 -9.249 700 HB2 LEU 95 1HB LEU 95 -6.851 -15.431 -7.702 701 HB3 LEU 95 2HB LEU 95 -5.945 -13.920 -7.757 702 HG LEU 95 HG LEU 95 -8.741 -14.266 -6.672 703 HD11 LEU 95 1HD1 LEU 95 -6.045 -14.329 -5.456 704 HD12 LEU 95 2HD1 LEU 95 -7.531 -15.147 -4.973 705 HD13 LEU 95 3HD1 LEU 95 -7.298 -13.442 -4.587 706 HD21 LEU 95 1HD2 LEU 95 -8.805 -12.080 -7.287 707 HD22 LEU 95 2HD2 LEU 95 -7.051 -11.902 -7.257 708 HD23 LEU 95 3HD2 LEU 95 -7.965 -11.894 -5.748 709 H LYS 96 H LYS 96 -7.237 -15.970 -10.873 710 HA LYS 96 HA LYS 96 -5.659 -16.669 -12.369 711 HB2 LYS 96 1HB LYS 96 -5.626 -13.697 -12.924 712 HB3 LYS 96 2HB LYS 96 -4.945 -14.923 -13.985 713 HG2 LYS 96 1HG LYS 96 -7.828 -14.984 -13.168 714 HG3 LYS 96 2HG LYS 96 -7.267 -14.016 -14.534 715 HD2 LYS 96 1HD LYS 96 -6.109 -16.300 -15.206 716 HD3 LYS 96 2HD LYS 96 -7.412 -16.971 -14.223 717 HE2 LYS 96 1HE LYS 96 -7.737 -15.110 -16.576 718 HE3 LYS 96 2HE LYS 96 -8.048 -16.845 -16.578 719 HZ1 LYS 96 1HZ LYS 96 -9.671 -16.301 -14.693 720 HZ2 LYS 96 2HZ LYS 96 -10.130 -15.912 -16.274 721 HZ3 LYS 96 3HZ LYS 96 -9.566 -14.702 -15.235 722 H ILE 97 H ILE 97 -4.489 -16.751 -10.016 723 HA ILE 97 HA ILE 97 -2.180 -15.099 -9.751 724 HB ILE 97 HB ILE 97 -2.788 -17.762 -8.462 725 HG12 ILE 97 1HG1 ILE 97 -4.420 -15.901 -8.016 726 HG13 ILE 97 2HG1 ILE 97 -3.602 -16.512 -6.583 727 HG21 ILE 97 1HG2 ILE 97 -0.828 -15.667 -7.553 728 HG22 ILE 97 2HG2 ILE 97 -1.060 -17.287 -6.899 729 HG23 ILE 97 3HG2 ILE 97 -0.374 -17.077 -8.510 730 HD11 ILE 97 1HD1 ILE 97 -2.348 -14.598 -6.326 731 HD12 ILE 97 2HD1 ILE 97 -2.519 -14.132 -8.018 732 HD13 ILE 97 3HD1 ILE 97 -3.884 -13.965 -6.915 733 H THR 98 H THR 98 -0.113 -15.425 -10.392 734 HA THR 98 HA THR 98 0.344 -17.408 -12.443 735 HB THR 98 HB THR 98 2.389 -15.496 -11.319 736 HG1 THR 98 1HG THR 98 0.506 -15.043 -13.415 737 HG21 THR 98 1HG2 THR 98 2.851 -15.711 -13.983 738 HG22 THR 98 2HG2 THR 98 2.217 -17.318 -13.626 739 HG23 THR 98 3HG2 THR 98 3.629 -16.714 -12.760 740 H ALA 99 H ALA 99 2.332 -16.470 -9.634 741 HA ALA 99 HA ALA 99 2.598 -19.263 -8.861 742 HB1 ALA 99 1HB ALA 99 4.929 -19.408 -9.060 743 HB2 ALA 99 2HB ALA 99 4.393 -18.690 -10.580 744 HB3 ALA 99 3HB ALA 99 5.102 -17.673 -9.326 745 H VAL 100 H VAL 100 2.555 -19.433 -6.717 746 HA VAL 100 HA VAL 100 2.643 -17.049 -5.089 747 HB VAL 100 HB VAL 100 1.917 -18.418 -3.268 748 HG11 VAL 100 1HG1 VAL 100 0.627 -18.726 -5.901 749 HG12 VAL 100 2HG1 VAL 100 0.083 -19.834 -4.640 750 HG13 VAL 100 3HG1 VAL 100 -0.016 -18.090 -4.388 751 HG21 VAL 100 1HG2 VAL 100 1.672 -21.010 -4.288 752 HG22 VAL 100 2HG2 VAL 100 3.304 -20.490 -4.710 753 HG23 VAL 100 3HG2 VAL 100 2.775 -20.457 -3.028 754 HA PRO 101 HA PRO 101 2.861 -16.691 -2.825 755 HB2 PRO 101 1HB PRO 101 4.373 -14.628 -1.912 756 HB3 PRO 101 2HB PRO 101 4.226 -16.166 -1.053 757 HG2 PRO 101 1HG PRO 101 6.415 -15.204 -2.854 758 HG3 PRO 101 2HG PRO 101 6.535 -16.062 -1.307 759 HD2 PRO 101 1HD PRO 101 6.818 -17.312 -3.692 760 HD3 PRO 101 2HD PRO 101 6.122 -18.115 -2.270 761 H THR 102 H THR 102 1.632 -15.097 -3.681 762 HA THR 102 HA THR 102 2.820 -13.480 -5.841 763 HB THR 102 HB THR 102 -0.016 -14.511 -5.641 764 HG1 THR 102 1HG THR 102 2.269 -15.469 -6.803 765 HG21 THR 102 1HG2 THR 102 -0.632 -13.095 -7.266 766 HG22 THR 102 2HG2 THR 102 0.857 -13.357 -8.174 767 HG23 THR 102 3HG2 THR 102 0.822 -12.186 -6.856 768 H LEU 103 H LEU 103 3.008 -11.425 -5.257 769 HA LEU 103 HA LEU 103 1.152 -10.309 -3.287 770 HB2 LEU 103 1HB LEU 103 3.558 -10.079 -2.871 771 HB3 LEU 103 2HB LEU 103 3.731 -9.199 -4.388 772 HG LEU 103 HG LEU 103 2.184 -7.456 -3.415 773 HD11 LEU 103 1HD1 LEU 103 2.043 -7.406 -0.948 774 HD12 LEU 103 2HD1 LEU 103 2.722 -9.033 -0.903 775 HD13 LEU 103 3HD1 LEU 103 1.157 -8.752 -1.665 776 HD21 LEU 103 1HD2 LEU 103 4.917 -8.050 -2.343 777 HD22 LEU 103 2HD2 LEU 103 4.026 -6.626 -1.805 778 HD23 LEU 103 3HD2 LEU 103 4.417 -6.829 -3.513 779 H LEU 104 H LEU 104 -0.662 -9.710 -4.364 780 HA LEU 104 HA LEU 104 -0.379 -8.073 -6.781 781 HB2 LEU 104 1HB LEU 104 -1.906 -9.701 -7.291 782 HB3 LEU 104 2HB LEU 104 -2.533 -9.779 -5.646 783 HG LEU 104 HG LEU 104 -3.590 -7.502 -6.126 784 HD11 LEU 104 1HD1 LEU 104 -2.213 -7.101 -8.172 785 HD12 LEU 104 2HD1 LEU 104 -3.949 -6.890 -8.400 786 HD13 LEU 104 3HD1 LEU 104 -3.156 -8.354 -8.981 787 HD21 LEU 104 1HD2 LEU 104 -4.460 -10.119 -6.520 788 HD22 LEU 104 2HD2 LEU 104 -4.991 -9.241 -7.955 789 HD23 LEU 104 3HD2 LEU 104 -5.463 -8.678 -6.351 790 H LYS 105 H LYS 105 -0.914 -5.969 -6.832 791 HA LYS 105 HA LYS 105 -1.689 -4.717 -4.308 792 HB2 LYS 105 1HB LYS 105 0.278 -3.826 -5.468 793 HB3 LYS 105 2HB LYS 105 -0.699 -3.497 -6.893 794 HG2 LYS 105 1HG LYS 105 -1.920 -1.802 -5.770 795 HG3 LYS 105 2HG LYS 105 -1.236 -2.256 -4.208 796 HD2 LYS 105 1HD LYS 105 1.023 -1.654 -5.153 797 HD3 LYS 105 2HD LYS 105 0.172 -0.970 -6.541 798 HE2 LYS 105 1HE LYS 105 -0.156 -0.135 -3.660 799 HE3 LYS 105 2HE LYS 105 0.718 0.756 -4.905 800 HZ1 LYS 105 1HZ LYS 105 -1.279 1.804 -4.998 801 HZ2 LYS 105 2HZ LYS 105 -2.164 0.444 -4.519 802 HZ3 LYS 105 3HZ LYS 105 -1.596 0.567 -6.108 803 H TYR 106 H TYR 106 -3.885 -5.051 -4.173 804 HA TYR 106 HA TYR 106 -5.812 -4.991 -6.087 805 HB2 TYR 106 1HB TYR 106 -5.933 -5.220 -3.454 806 HB3 TYR 106 2HB TYR 106 -6.394 -3.524 -3.549 807 HD1 TYR 106 2HD TYR 106 -7.230 -6.582 -5.541 808 HD2 TYR 106 1HD TYR 106 -8.666 -3.243 -3.330 809 HE1 TYR 106 2HE TYR 106 -9.542 -7.245 -6.053 810 HE2 TYR 106 1HE TYR 106 -10.983 -3.898 -3.834 811 HH TYR 106 HH TYR 106 -12.287 -5.611 -4.598 812 H GLY 107 H GLY 107 -5.964 -3.585 -7.718 813 HA2 GLY 107 1HA GLY 107 -7.058 -1.355 -8.122 814 HA3 GLY 107 2HA GLY 107 -5.803 -0.706 -7.077 815 H THR 108 H THR 108 -3.663 -2.309 -8.091 816 HA THR 108 HA THR 108 -3.423 -1.230 -10.824 817 HB THR 108 HB THR 108 -1.013 -0.880 -10.394 818 HG1 THR 108 1HG THR 108 -1.028 -2.438 -8.557 819 HG21 THR 108 1HG2 THR 108 -1.319 1.023 -8.716 820 HG22 THR 108 2HG2 THR 108 -3.011 0.532 -8.646 821 HG23 THR 108 3HG2 THR 108 -2.311 1.070 -10.172 822 HA PRO 109 HA PRO 109 -2.359 -5.288 -12.137 823 HB2 PRO 109 1HB PRO 109 -0.803 -4.703 -14.283 824 HB3 PRO 109 2HB PRO 109 -2.559 -4.497 -14.285 825 HG2 PRO 109 1HG PRO 109 -0.413 -2.452 -13.871 826 HG3 PRO 109 2HG PRO 109 -1.897 -2.336 -14.834 827 HD2 PRO 109 1HD PRO 109 -1.677 -1.253 -12.362 828 HD3 PRO 109 2HD PRO 109 -3.208 -1.894 -12.990 829 H GLN 110 H GLN 110 -0.173 -3.204 -10.731 830 HA GLN 110 HA GLN 110 2.265 -4.597 -11.251 831 HB2 GLN 110 1HB GLN 110 1.401 -2.440 -9.373 832 HB3 GLN 110 2HB GLN 110 2.915 -3.277 -9.059 833 HG2 GLN 110 1HG GLN 110 3.360 -2.727 -11.591 834 HG3 GLN 110 2HG GLN 110 2.178 -1.455 -11.285 835 HE21 GLN 110 1HE2 GLN 110 2.674 -0.494 -8.915 836 HE22 GLN 110 2HE2 GLN 110 4.294 0.085 -8.759 837 H LYS 111 H LYS 111 2.889 -6.475 -10.437 838 HA LYS 111 HA LYS 111 2.092 -7.218 -7.726 839 HB2 LYS 111 1HB LYS 111 1.420 -9.463 -8.418 840 HB3 LYS 111 2HB LYS 111 0.413 -8.244 -9.189 841 HG2 LYS 111 1HG LYS 111 0.816 -9.569 -10.983 842 HG3 LYS 111 2HG LYS 111 2.215 -8.501 -11.111 843 HD2 LYS 111 1HD LYS 111 3.258 -10.529 -11.282 844 HD3 LYS 111 2HD LYS 111 3.302 -10.319 -9.530 845 HE2 LYS 111 1HE LYS 111 1.128 -11.603 -9.450 846 HE3 LYS 111 2HE LYS 111 1.390 -11.987 -11.150 847 HZ1 LYS 111 1HZ LYS 111 3.374 -12.599 -9.035 848 HZ2 LYS 111 2HZ LYS 111 3.349 -13.170 -10.627 849 HZ3 LYS 111 3HZ LYS 111 2.181 -13.696 -9.522 850 H LEU 112 H LEU 112 3.506 -8.645 -6.696 851 HA LEU 112 HA LEU 112 6.065 -9.044 -8.097 852 HB2 LEU 112 1HB LEU 112 5.576 -8.877 -5.128 853 HB3 LEU 112 2HB LEU 112 7.141 -8.993 -5.931 854 HG LEU 112 HG LEU 112 5.242 -6.649 -6.003 855 HD11 LEU 112 1HD1 LEU 112 6.280 -6.314 -4.026 856 HD12 LEU 112 2HD1 LEU 112 7.561 -5.691 -5.065 857 HD13 LEU 112 3HD1 LEU 112 7.653 -7.339 -4.445 858 HD21 LEU 112 1HD2 LEU 112 7.770 -5.980 -7.048 859 HD22 LEU 112 2HD2 LEU 112 6.222 -6.022 -7.892 860 HD23 LEU 112 3HD2 LEU 112 7.254 -7.453 -7.870 861 H VAL 113 H VAL 113 6.575 -11.064 -8.585 862 HA VAL 113 HA VAL 113 5.068 -13.268 -7.470 863 HB VAL 113 HB VAL 113 7.397 -13.770 -9.245 864 HG11 VAL 113 1HG1 VAL 113 4.754 -14.943 -8.645 865 HG12 VAL 113 2HG1 VAL 113 5.324 -15.098 -10.308 866 HG13 VAL 113 3HG1 VAL 113 6.297 -15.729 -8.978 867 HG21 VAL 113 1HG2 VAL 113 4.950 -12.235 -10.057 868 HG22 VAL 113 2HG2 VAL 113 6.643 -11.873 -10.391 869 HG23 VAL 113 3HG2 VAL 113 5.851 -13.217 -11.213 870 H GLU 114 H GLU 114 6.461 -15.337 -7.033 871 HA GLU 114 HA GLU 114 7.598 -15.313 -4.635 872 HB2 GLU 114 1HB GLU 114 8.962 -16.869 -6.824 873 HB3 GLU 114 2HB GLU 114 8.749 -17.319 -5.138 874 HG2 GLU 114 1HG GLU 114 6.259 -17.361 -5.615 875 HG3 GLU 114 2HG GLU 114 6.693 -17.270 -7.321 876 H SER 115 H SER 115 9.699 -15.100 -7.513 877 HA SER 115 HA SER 115 12.030 -14.400 -6.184 878 HB2 SER 115 1HB SER 115 11.531 -14.971 -8.721 879 HB3 SER 115 2HB SER 115 11.499 -13.214 -8.876 880 HG SER 115 HG SER 115 13.589 -13.120 -8.465 881 H GLU 116 H GLU 116 9.512 -12.301 -7.534 882 HA GLU 116 HA GLU 116 10.830 -9.877 -6.794 883 HB2 GLU 116 1HB GLU 116 7.914 -10.312 -7.460 884 HB3 GLU 116 2HB GLU 116 8.765 -8.774 -7.455 885 HG2 GLU 116 1HG GLU 116 10.284 -9.839 -9.226 886 HG3 GLU 116 2HG GLU 116 9.014 -11.051 -9.380 887 H CYS 117 H CYS 117 9.146 -12.199 -5.044 888 HA CYS 117 HA CYS 117 8.093 -10.359 -3.056 889 HB2 CYS 117 1HB CYS 117 8.055 -13.369 -3.299 890 HB3 CYS 117 2HB CYS 117 7.421 -12.515 -1.897 891 HG CYS 117 HG CYS 117 5.952 -13.164 -4.749 892 H CYS 118 H CYS 118 10.955 -12.116 -3.660 893 HA CYS 118 HA CYS 118 11.783 -11.962 -0.850 894 HB2 CYS 118 1HB CYS 118 12.087 -14.140 -1.910 895 HB3 CYS 118 2HB CYS 118 13.039 -13.404 -3.193 896 HG CYS 118 HG CYS 118 14.111 -14.709 -0.459 897 H GLN 119 H GLN 119 11.943 -10.178 -3.636 898 HA GLN 119 HA GLN 119 14.627 -9.138 -3.160 899 HB2 GLN 119 1HB GLN 119 12.657 -8.977 -5.381 900 HB3 GLN 119 2HB GLN 119 13.764 -7.625 -5.185 901 HG2 GLN 119 1HG GLN 119 14.380 -9.612 -6.742 902 HG3 GLN 119 2HG GLN 119 15.608 -8.872 -5.717 903 HE21 GLN 119 1HE2 GLN 119 13.991 -11.721 -6.548 904 HE22 GLN 119 2HE2 GLN 119 14.664 -12.749 -5.333 905 H SER 120 H SER 120 14.574 -7.886 -1.359 906 HA SER 120 HA SER 120 12.515 -6.269 -0.463 907 HB2 SER 120 1HB SER 120 14.624 -4.886 0.466 908 HB3 SER 120 2HB SER 120 14.124 -6.432 1.152 909 HG SER 120 HG SER 120 16.391 -5.786 -0.220 910 H SER 121 H SER 121 15.116 -5.515 -2.730 911 HA SER 121 HA SER 121 14.781 -2.782 -2.980 912 HB2 SER 121 1HB SER 121 15.798 -4.936 -4.761 913 HB3 SER 121 2HB SER 121 15.431 -3.383 -5.511 914 HG SER 121 HG SER 121 16.927 -2.406 -4.238 915 H LEU 122 H LEU 122 12.923 -5.395 -4.422 916 HA LEU 122 HA LEU 122 11.335 -3.597 -6.034 917 HB2 LEU 122 1HB LEU 122 11.157 -6.550 -5.481 918 HB3 LEU 122 2HB LEU 122 10.019 -5.686 -6.513 919 HG LEU 122 HG LEU 122 12.959 -5.631 -7.095 920 HD11 LEU 122 1HD1 LEU 122 11.707 -7.542 -8.749 921 HD12 LEU 122 2HD1 LEU 122 11.323 -7.966 -7.081 922 HD13 LEU 122 3HD1 LEU 122 13.005 -7.791 -7.581 923 HD21 LEU 122 1HD2 LEU 122 12.240 -5.159 -9.323 924 HD22 LEU 122 2HD2 LEU 122 11.364 -4.083 -8.233 925 HD23 LEU 122 3HD2 LEU 122 10.559 -5.499 -8.912 926 H VAL 123 H VAL 123 10.936 -5.497 -3.080 927 HA VAL 123 HA VAL 123 8.214 -5.075 -2.650 928 HB VAL 123 HB VAL 123 10.433 -5.389 -0.625 929 HG11 VAL 123 1HG1 VAL 123 7.508 -5.866 -0.130 930 HG12 VAL 123 2HG1 VAL 123 8.822 -5.774 1.045 931 HG13 VAL 123 3HG1 VAL 123 8.281 -4.317 0.210 932 HG21 VAL 123 1HG2 VAL 123 9.292 -7.719 -0.515 933 HG22 VAL 123 2HG2 VAL 123 8.662 -7.292 -2.106 934 HG23 VAL 123 3HG2 VAL 123 10.404 -7.362 -1.837 935 H GLU 124 H GLU 124 11.002 -3.129 -1.626 936 HA GLU 124 HA GLU 124 9.429 -1.175 -0.272 937 HB2 GLU 124 1HB GLU 124 11.490 0.112 -0.129 938 HB3 GLU 124 2HB GLU 124 11.796 -1.572 0.272 939 HG2 GLU 124 1HG GLU 124 12.557 -1.875 -2.112 940 HG3 GLU 124 2HG GLU 124 12.497 -0.120 -2.260 941 H MET 125 H MET 125 10.006 -1.806 -3.537 942 HA MET 125 HA MET 125 9.726 0.944 -4.420 943 HB2 MET 125 1HB MET 125 11.184 -0.719 -5.604 944 HB3 MET 125 2HB MET 125 9.725 -1.575 -6.087 945 HG2 MET 125 1HG MET 125 9.054 0.800 -7.010 946 HG3 MET 125 2HG MET 125 10.801 1.026 -7.024 947 HE1 MET 125 1HE MET 125 7.856 -0.551 -9.360 948 HE2 MET 125 2HE MET 125 8.450 -2.205 -9.212 949 HE3 MET 125 3HE MET 125 7.992 -1.301 -7.769 950 H ILE 126 H ILE 126 7.927 -2.075 -5.055 951 HA ILE 126 HA ILE 126 5.707 -1.046 -6.272 952 HB ILE 126 HB ILE 126 6.158 -3.472 -5.877 953 HG12 ILE 126 1HG1 ILE 126 3.380 -2.848 -4.926 954 HG13 ILE 126 2HG1 ILE 126 3.889 -2.364 -6.540 955 HG21 ILE 126 1HG2 ILE 126 6.571 -3.984 -3.729 956 HG22 ILE 126 2HG2 ILE 126 5.618 -2.632 -3.118 957 HG23 ILE 126 3HG2 ILE 126 4.817 -4.123 -3.612 958 HD11 ILE 126 1HD1 ILE 126 2.734 -4.477 -6.623 959 HD12 ILE 126 2HD1 ILE 126 4.431 -4.706 -7.043 960 HD13 ILE 126 3HD1 ILE 126 3.849 -5.165 -5.443 961 H PHE 127 H PHE 127 6.647 -0.679 -2.977 962 HA PHE 127 HA PHE 127 4.001 0.196 -2.134 963 HB2 PHE 127 1HB PHE 127 6.621 -0.077 -0.654 964 HB3 PHE 127 2HB PHE 127 5.148 0.545 0.082 965 HD1 PHE 127 2HD PHE 127 3.096 -1.219 -0.987 966 HD2 PHE 127 1HD PHE 127 7.039 -2.114 0.344 967 HE1 PHE 127 2HE PHE 127 2.392 -3.516 -0.457 968 HE2 PHE 127 1HE PHE 127 6.341 -4.413 0.876 969 HZ PHE 127 HZ PHE 127 4.015 -5.116 0.477 970 H SER 128 H SER 128 7.234 1.526 -2.657 971 HA SER 128 HA SER 128 6.733 4.132 -1.757 972 HB2 SER 128 1HB SER 128 8.743 2.881 -3.580 973 HB3 SER 128 2HB SER 128 8.617 4.640 -3.553 974 HG SER 128 HG SER 128 8.720 3.323 -1.100 975 H GLU 129 H GLU 129 6.896 3.012 -5.144 976 HA GLU 129 HA GLU 129 5.638 5.382 -6.129 977 HB2 GLU 129 1HB GLU 129 6.326 2.740 -7.412 978 HB3 GLU 129 2HB GLU 129 5.544 4.048 -8.290 979 HG2 GLU 129 1HG GLU 129 7.503 5.495 -7.573 980 HG3 GLU 129 2HG GLU 129 8.291 3.993 -7.092 981 H ASP 130 H ASP 130 3.625 5.410 -7.357 982 HA ASP 130 HA ASP 130 1.553 3.928 -5.953 983 HB2 ASP 130 1HB ASP 130 1.460 6.230 -7.906 984 HB3 ASP 130 2HB ASP 130 0.016 5.446 -7.273 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -2.208 20.671 21.974 2 HA2 GLY 1 1HA GLY 1 -0.484 18.742 21.221 3 HA3 GLY 1 2HA GLY 1 -1.123 19.910 20.074 4 H SER 2 H SER 2 1.545 18.504 20.410 5 HA SER 2 HA SER 2 3.184 20.925 20.105 6 HB2 SER 2 1HB SER 2 4.063 18.419 21.561 7 HB3 SER 2 2HB SER 2 5.035 19.867 21.297 8 HG SER 2 HG SER 2 3.561 21.016 22.587 9 H GLU 3 H GLU 3 3.418 17.377 19.775 10 HA GLU 3 HA GLU 3 5.333 17.051 17.942 11 HB2 GLU 3 1HB GLU 3 2.611 15.740 17.830 12 HB3 GLU 3 2HB GLU 3 4.036 15.165 16.976 13 HG2 GLU 3 1HG GLU 3 4.121 15.526 19.936 14 HG3 GLU 3 2HG GLU 3 3.357 14.099 19.240 15 H GLY 4 H GLY 4 5.837 17.811 15.996 16 HA2 GLY 4 1HA GLY 4 4.423 19.746 14.632 17 HA3 GLY 4 2HA GLY 4 5.634 18.710 13.891 18 H ALA 5 H ALA 5 3.373 19.704 12.541 19 HA ALA 5 HA ALA 5 1.446 17.538 12.391 20 HB1 ALA 5 1HB ALA 5 1.114 19.435 10.286 21 HB2 ALA 5 2HB ALA 5 0.084 19.139 11.687 22 HB3 ALA 5 3HB ALA 5 1.411 20.295 11.797 23 H ALA 6 H ALA 6 2.235 15.750 11.433 24 HA ALA 6 HA ALA 6 3.295 16.049 8.706 25 HB1 ALA 6 1HB ALA 6 4.588 14.807 11.021 26 HB2 ALA 6 2HB ALA 6 4.569 13.801 9.572 27 HB3 ALA 6 3HB ALA 6 5.285 15.412 9.518 28 H THR 7 H THR 7 2.757 14.414 7.255 29 HA THR 7 HA THR 7 0.602 12.627 8.170 30 HB THR 7 HB THR 7 -0.107 12.565 5.773 31 HG1 THR 7 1HG THR 7 1.494 14.851 5.352 32 HG21 THR 7 1HG2 THR 7 -0.313 14.784 7.624 33 HG22 THR 7 2HG2 THR 7 -1.546 14.068 6.586 34 HG23 THR 7 3HG2 THR 7 -0.475 15.317 5.951 35 H MET 8 H MET 8 1.820 10.848 8.755 36 HA MET 8 HA MET 8 3.691 9.717 6.831 37 HB2 MET 8 1HB MET 8 3.053 9.238 9.706 38 HB3 MET 8 2HB MET 8 3.778 7.928 8.784 39 HG2 MET 8 1HG MET 8 5.623 9.462 8.158 40 HG3 MET 8 2HG MET 8 4.919 10.675 9.225 41 HE1 MET 8 1HE MET 8 5.360 9.684 12.624 42 HE2 MET 8 2HE MET 8 4.077 10.011 11.460 43 HE3 MET 8 3HE MET 8 4.288 8.383 12.105 44 H ALA 9 H ALA 9 3.573 7.373 6.347 45 HA ALA 9 HA ALA 9 0.924 6.702 5.439 46 HB1 ALA 9 1HB ALA 9 2.001 4.783 4.377 47 HB2 ALA 9 2HB ALA 9 2.860 6.281 4.018 48 HB3 ALA 9 3HB ALA 9 3.506 5.160 5.215 49 H THR 10 H THR 10 -0.103 4.637 5.855 50 HA THR 10 HA THR 10 0.587 3.487 8.478 51 HB THR 10 HB THR 10 -1.838 3.199 8.928 52 HG1 THR 10 1HG THR 10 -2.417 3.441 6.623 53 HG21 THR 10 1HG2 THR 10 -1.187 6.098 8.419 54 HG22 THR 10 2HG2 THR 10 -0.490 5.172 9.749 55 HG23 THR 10 3HG2 THR 10 -2.234 5.425 9.668 56 H PHE 11 H PHE 11 0.789 1.343 8.489 57 HA PHE 11 HA PHE 11 -0.404 -0.182 6.268 58 HB2 PHE 11 1HB PHE 11 1.526 -1.396 5.944 59 HB3 PHE 11 2HB PHE 11 2.212 0.152 6.428 60 HD1 PHE 11 1HD PHE 11 1.480 -3.280 7.511 61 HD2 PHE 11 2HD PHE 11 3.381 0.400 8.492 62 HE1 PHE 11 1HE PHE 11 2.677 -4.393 9.350 63 HE2 PHE 11 2HE PHE 11 4.581 -0.707 10.332 64 HZ PHE 11 HZ PHE 11 4.231 -3.107 10.763 65 H GLU 12 H GLU 12 -1.752 -1.750 6.851 66 HA GLU 12 HA GLU 12 -1.609 -2.755 9.618 67 HB2 GLU 12 1HB GLU 12 -3.600 -1.341 9.186 68 HB3 GLU 12 2HB GLU 12 -4.083 -2.450 7.909 69 HG2 GLU 12 1HG GLU 12 -5.308 -2.814 10.005 70 HG3 GLU 12 2HG GLU 12 -4.386 -4.228 9.498 71 H GLU 13 H GLU 13 -1.600 -4.917 9.932 72 HA GLU 13 HA GLU 13 -1.508 -6.593 7.530 73 HB2 GLU 13 1HB GLU 13 0.354 -6.523 9.326 74 HB3 GLU 13 2HB GLU 13 -0.748 -7.491 10.296 75 HG2 GLU 13 1HG GLU 13 0.382 -8.216 7.604 76 HG3 GLU 13 2HG GLU 13 0.826 -8.915 9.160 77 H VAL 14 H VAL 14 -3.131 -7.906 7.040 78 HA VAL 14 HA VAL 14 -5.001 -8.693 9.179 79 HB VAL 14 HB VAL 14 -5.694 -8.050 6.308 80 HG11 VAL 14 1HG1 VAL 14 -7.030 -9.659 8.276 81 HG12 VAL 14 2HG1 VAL 14 -8.007 -8.243 7.881 82 HG13 VAL 14 3HG1 VAL 14 -7.480 -9.338 6.602 83 HG21 VAL 14 1HG2 VAL 14 -7.044 -6.575 8.428 84 HG22 VAL 14 2HG2 VAL 14 -5.302 -6.302 8.396 85 HG23 VAL 14 3HG2 VAL 14 -6.270 -5.988 6.955 86 H SER 15 H SER 15 -4.666 -10.785 9.560 87 HA SER 15 HA SER 15 -3.774 -12.570 7.462 88 HB2 SER 15 1HB SER 15 -2.783 -12.843 9.654 89 HB3 SER 15 2HB SER 15 -4.372 -13.037 10.392 90 HG SER 15 HG SER 15 -3.660 -14.774 8.324 91 H VAL 16 H VAL 16 -5.011 -13.909 6.311 92 HA VAL 16 HA VAL 16 -7.673 -14.628 7.291 93 HB VAL 16 HB VAL 16 -8.566 -14.237 4.937 94 HG11 VAL 16 1HG1 VAL 16 -9.052 -11.876 5.381 95 HG12 VAL 16 2HG1 VAL 16 -9.210 -12.859 6.839 96 HG13 VAL 16 3HG1 VAL 16 -7.783 -11.848 6.605 97 HG21 VAL 16 1HG2 VAL 16 -6.971 -12.032 4.250 98 HG22 VAL 16 2HG2 VAL 16 -5.856 -13.357 4.585 99 HG23 VAL 16 3HG2 VAL 16 -7.130 -13.559 3.381 100 H LEU 17 H LEU 17 -8.603 -16.467 6.196 101 HA LEU 17 HA LEU 17 -6.655 -18.078 4.692 102 HB2 LEU 17 1HB LEU 17 -7.000 -18.682 7.176 103 HB3 LEU 17 2HB LEU 17 -8.564 -19.302 6.652 104 HG LEU 17 HG LEU 17 -5.881 -20.261 5.658 105 HD11 LEU 17 1HD1 LEU 17 -7.656 -22.057 7.159 106 HD12 LEU 17 2HD1 LEU 17 -6.924 -20.759 8.101 107 HD13 LEU 17 3HD1 LEU 17 -5.902 -21.885 7.209 108 HD21 LEU 17 1HD2 LEU 17 -8.653 -20.714 4.798 109 HD22 LEU 17 2HD2 LEU 17 -7.691 -22.175 5.021 110 HD23 LEU 17 3HD2 LEU 17 -7.139 -20.916 3.915 111 H GLY 18 H GLY 18 -7.476 -18.250 2.707 112 HA2 GLY 18 1HA GLY 18 -9.029 -19.479 1.314 113 HA3 GLY 18 2HA GLY 18 -10.297 -19.076 2.463 114 H PHE 19 H PHE 19 -11.309 -18.471 0.319 115 HA PHE 19 HA PHE 19 -10.427 -15.882 -0.697 116 HB2 PHE 19 1HB PHE 19 -11.140 -17.839 -2.190 117 HB3 PHE 19 2HB PHE 19 -12.787 -17.472 -1.687 118 HD1 PHE 19 2HD PHE 19 -13.464 -14.932 -1.954 119 HD2 PHE 19 1HD PHE 19 -10.346 -16.869 -4.109 120 HE1 PHE 19 2HE PHE 19 -13.620 -13.219 -3.714 121 HE2 PHE 19 1HE PHE 19 -10.496 -15.159 -5.871 122 HZ PHE 19 HZ PHE 19 -12.136 -13.331 -5.676 123 H GLU 20 H GLU 20 -13.309 -17.380 0.734 124 HA GLU 20 HA GLU 20 -15.058 -15.272 0.731 125 HB2 GLU 20 1HB GLU 20 -14.589 -17.493 2.687 126 HB3 GLU 20 2HB GLU 20 -15.787 -16.256 3.040 127 HG2 GLU 20 1HG GLU 20 -16.994 -17.978 2.042 128 HG3 GLU 20 2HG GLU 20 -16.776 -16.790 0.759 129 H GLU 21 H GLU 21 -12.910 -16.048 3.476 130 HA GLU 21 HA GLU 21 -13.366 -13.697 4.904 131 HB2 GLU 21 1HB GLU 21 -11.040 -15.609 4.853 132 HB3 GLU 21 2HB GLU 21 -11.069 -14.214 5.924 133 HG2 GLU 21 1HG GLU 21 -13.196 -16.339 5.878 134 HG3 GLU 21 2HG GLU 21 -11.809 -16.350 6.966 135 H PHE 22 H PHE 22 -10.902 -14.453 2.478 136 HA PHE 22 HA PHE 22 -9.309 -12.216 2.642 137 HB2 PHE 22 1HB PHE 22 -8.562 -13.838 1.142 138 HB3 PHE 22 2HB PHE 22 -10.125 -13.958 0.341 139 HD1 PHE 22 2HD PHE 22 -8.050 -10.964 1.088 140 HD2 PHE 22 1HD PHE 22 -9.716 -13.507 -1.890 141 HE1 PHE 22 2HE PHE 22 -7.265 -9.423 -0.662 142 HE2 PHE 22 1HE PHE 22 -8.933 -11.971 -3.645 143 HZ PHE 22 HZ PHE 22 -7.707 -9.925 -3.032 144 H ASP 23 H ASP 23 -12.024 -12.576 0.353 145 HA ASP 23 HA ASP 23 -12.117 -10.007 -0.608 146 HB2 ASP 23 1HB ASP 23 -13.508 -11.722 -1.568 147 HB3 ASP 23 2HB ASP 23 -14.399 -11.912 -0.060 148 H LYS 24 H LYS 24 -13.869 -11.268 2.223 149 HA LYS 24 HA LYS 24 -15.262 -9.061 3.013 150 HB2 LYS 24 1HB LYS 24 -15.146 -11.359 4.120 151 HB3 LYS 24 2HB LYS 24 -13.737 -10.758 4.984 152 HG2 LYS 24 1HG LYS 24 -15.526 -10.454 6.455 153 HG3 LYS 24 2HG LYS 24 -15.228 -8.854 5.770 154 HD2 LYS 24 1HD LYS 24 -17.565 -9.121 5.720 155 HD3 LYS 24 2HD LYS 24 -17.032 -9.424 4.065 156 HE2 LYS 24 1HE LYS 24 -18.541 -11.149 4.480 157 HE3 LYS 24 2HE LYS 24 -16.970 -11.898 4.759 158 HZ1 LYS 24 1HZ LYS 24 -17.808 -12.511 6.711 159 HZ2 LYS 24 2HZ LYS 24 -19.130 -11.463 6.588 160 HZ3 LYS 24 3HZ LYS 24 -17.655 -10.896 7.193 161 H ALA 25 H ALA 25 -11.873 -9.781 3.814 162 HA ALA 25 HA ALA 25 -11.415 -7.431 5.308 163 HB1 ALA 25 1HB ALA 25 -9.104 -8.549 3.881 164 HB2 ALA 25 2HB ALA 25 -9.340 -8.243 5.602 165 HB3 ALA 25 3HB ALA 25 -10.006 -9.701 4.866 166 H VAL 26 H VAL 26 -11.227 -8.152 1.883 167 HA VAL 26 HA VAL 26 -9.837 -5.780 1.136 168 HB VAL 26 HB VAL 26 -11.529 -7.696 -0.466 169 HG11 VAL 26 1HG1 VAL 26 -10.723 -5.052 -1.151 170 HG12 VAL 26 2HG1 VAL 26 -9.814 -6.195 -2.142 171 HG13 VAL 26 3HG1 VAL 26 -11.578 -6.237 -2.138 172 HG21 VAL 26 1HG2 VAL 26 -9.173 -8.130 -1.448 173 HG22 VAL 26 2HG2 VAL 26 -8.596 -7.361 0.031 174 HG23 VAL 26 3HG2 VAL 26 -9.585 -8.818 0.123 175 H LYS 27 H LYS 27 -13.235 -6.732 0.595 176 HA LYS 27 HA LYS 27 -14.192 -4.313 -0.315 177 HB2 LYS 27 1HB LYS 27 -15.582 -6.407 1.361 178 HB3 LYS 27 2HB LYS 27 -16.414 -5.065 0.588 179 HG2 LYS 27 1HG LYS 27 -14.703 -6.813 -1.097 180 HG3 LYS 27 2HG LYS 27 -16.259 -7.437 -0.544 181 HD2 LYS 27 1HD LYS 27 -17.433 -5.636 -1.584 182 HD3 LYS 27 2HD LYS 27 -15.928 -4.785 -1.938 183 HE2 LYS 27 1HE LYS 27 -15.271 -6.679 -3.406 184 HE3 LYS 27 2HE LYS 27 -16.855 -7.399 -3.123 185 HZ1 LYS 27 1HZ LYS 27 -17.904 -5.806 -4.360 186 HZ2 LYS 27 2HZ LYS 27 -16.439 -5.912 -5.198 187 HZ3 LYS 27 3HZ LYS 27 -16.703 -4.640 -4.114 188 H GLU 28 H GLU 28 -13.073 -5.088 2.809 189 HA GLU 28 HA GLU 28 -14.579 -3.048 4.190 190 HB2 GLU 28 1HB GLU 28 -12.520 -5.063 4.935 191 HB3 GLU 28 2HB GLU 28 -12.680 -3.646 5.963 192 HG2 GLU 28 1HG GLU 28 -15.040 -5.336 5.214 193 HG3 GLU 28 2HG GLU 28 -14.011 -5.719 6.593 194 H HIS 29 H HIS 29 -11.225 -3.501 3.122 195 HA HIS 29 HA HIS 29 -10.680 -0.684 3.738 196 HB2 HIS 29 1HB HIS 29 -8.608 -2.679 2.865 197 HB3 HIS 29 2HB HIS 29 -8.393 -1.208 3.810 198 HD1 HIS 29 1HD HIS 29 -9.670 -1.375 6.282 199 HD2 HIS 29 2HD HIS 29 -8.589 -4.909 4.384 200 HE1 HIS 29 1HE HIS 29 -9.640 -3.125 8.087 201 HE2 HIS 29 2HE HIS 29 -8.900 -5.237 6.931 202 H GLU 30 H GLU 30 -12.235 -1.682 1.410 203 HA GLU 30 HA GLU 30 -10.738 -1.555 -0.954 204 HB2 GLU 30 1HB GLU 30 -12.809 -1.287 -2.099 205 HB3 GLU 30 2HB GLU 30 -13.120 -2.335 -0.723 206 HG2 GLU 30 1HG GLU 30 -14.057 -0.459 0.512 207 HG3 GLU 30 2HG GLU 30 -13.721 0.612 -0.848 208 H SER 31 H SER 31 -11.855 0.927 1.186 209 HA SER 31 HA SER 31 -11.836 3.132 -0.543 210 HB2 SER 31 1HB SER 31 -12.807 3.491 1.574 211 HB3 SER 31 2HB SER 31 -11.402 2.849 2.425 212 HG SER 31 HG SER 31 -11.337 5.068 2.574 213 H LYS 32 H LYS 32 -9.252 1.753 1.464 214 HA LYS 32 HA LYS 32 -7.319 3.512 0.128 215 HB2 LYS 32 1HB LYS 32 -7.060 1.821 2.621 216 HB3 LYS 32 2HB LYS 32 -5.760 2.783 1.930 217 HG2 LYS 32 1HG LYS 32 -6.545 4.182 3.566 218 HG3 LYS 32 2HG LYS 32 -7.460 4.743 2.165 219 HD2 LYS 32 1HD LYS 32 -9.430 3.781 2.902 220 HD3 LYS 32 2HD LYS 32 -8.594 2.603 3.917 221 HE2 LYS 32 1HE LYS 32 -7.862 4.542 5.355 222 HE3 LYS 32 2HE LYS 32 -8.977 5.546 4.429 223 HZ1 LYS 32 1HZ LYS 32 -9.978 4.734 6.479 224 HZ2 LYS 32 2HZ LYS 32 -9.731 3.134 5.990 225 HZ3 LYS 32 3HZ LYS 32 -10.794 4.127 5.127 226 H THR 33 H THR 33 -5.076 2.389 -0.106 227 HA THR 33 HA THR 33 -5.346 0.372 -2.058 228 HB THR 33 HB THR 33 -2.839 1.139 -0.550 229 HG1 THR 33 1HG THR 33 -2.594 2.420 -2.607 230 HG21 THR 33 1HG2 THR 33 -2.657 -0.963 -1.814 231 HG22 THR 33 2HG2 THR 33 -1.667 0.312 -2.524 232 HG23 THR 33 3HG2 THR 33 -3.204 -0.129 -3.268 233 H ILE 34 H ILE 34 -5.311 -1.792 -1.946 234 HA ILE 34 HA ILE 34 -4.805 -3.012 0.689 235 HB ILE 34 HB ILE 34 -6.656 -3.917 -1.516 236 HG12 ILE 34 1HG1 ILE 34 -7.392 -3.374 1.345 237 HG13 ILE 34 2HG1 ILE 34 -7.281 -2.053 0.188 238 HG21 ILE 34 1HG2 ILE 34 -5.775 -5.309 0.999 239 HG22 ILE 34 2HG2 ILE 34 -7.257 -5.731 0.142 240 HG23 ILE 34 3HG2 ILE 34 -5.696 -5.898 -0.661 241 HD11 ILE 34 1HD1 ILE 34 -8.923 -4.430 -0.508 242 HD12 ILE 34 2HD1 ILE 34 -9.553 -3.256 0.648 243 HD13 ILE 34 3HD1 ILE 34 -9.117 -2.742 -0.982 244 H PHE 35 H PHE 35 -3.510 -4.806 0.832 245 HA PHE 35 HA PHE 35 -2.186 -5.677 -1.652 246 HB2 PHE 35 1HB PHE 35 -0.978 -5.070 1.042 247 HB3 PHE 35 2HB PHE 35 -0.151 -6.071 -0.147 248 HD1 PHE 35 2HD PHE 35 0.637 -5.106 -2.250 249 HD2 PHE 35 1HD PHE 35 -1.170 -2.704 0.764 250 HE1 PHE 35 2HE PHE 35 1.529 -3.084 -3.331 251 HE2 PHE 35 1HE PHE 35 -0.282 -0.678 -0.313 252 HZ PHE 35 HZ PHE 35 1.071 -0.866 -2.362 253 H ALA 36 H ALA 36 -2.865 -7.676 -2.054 254 HA ALA 36 HA ALA 36 -3.406 -9.498 0.174 255 HB1 ALA 36 1HB ALA 36 -5.221 -9.662 -1.195 256 HB2 ALA 36 2HB ALA 36 -4.288 -9.345 -2.658 257 HB3 ALA 36 3HB ALA 36 -4.216 -10.932 -1.894 258 H TYR 37 H TYR 37 -1.884 -10.874 0.786 259 HA TYR 37 HA TYR 37 0.229 -11.598 -1.122 260 HB2 TYR 37 1HB TYR 37 0.922 -10.535 1.017 261 HB3 TYR 37 2HB TYR 37 0.216 -11.891 1.890 262 HD1 TYR 37 1HD TYR 37 2.543 -11.443 -1.011 263 HD2 TYR 37 2HD TYR 37 1.743 -13.421 2.670 264 HE1 TYR 37 1HE TYR 37 4.664 -12.670 -1.217 265 HE2 TYR 37 2HE TYR 37 3.863 -14.653 2.475 266 HH TYR 37 HH TYR 37 6.286 -13.811 0.298 267 H PHE 38 H PHE 38 -0.807 -13.261 -2.216 268 HA PHE 38 HA PHE 38 -2.055 -15.438 -0.826 269 HB2 PHE 38 1HB PHE 38 -1.175 -15.440 -3.711 270 HB3 PHE 38 2HB PHE 38 -2.475 -16.371 -2.973 271 HD1 PHE 38 1HD PHE 38 -4.498 -15.112 -2.104 272 HD2 PHE 38 2HD PHE 38 -1.588 -13.356 -4.666 273 HE1 PHE 38 1HE PHE 38 -6.108 -13.357 -2.723 274 HE2 PHE 38 2HE PHE 38 -3.193 -11.598 -5.289 275 HZ PHE 38 HZ PHE 38 -5.455 -11.596 -4.317 276 H SER 39 H SER 39 -1.035 -17.059 0.125 277 HA SER 39 HA SER 39 1.271 -18.296 -1.099 278 HB2 SER 39 1HB SER 39 2.856 -17.884 0.580 279 HB3 SER 39 2HB SER 39 2.071 -16.318 0.375 280 HG SER 39 HG SER 39 0.628 -17.203 2.154 281 H GLY 40 H GLY 40 2.051 -20.175 0.314 282 HA2 GLY 40 1HA GLY 40 -0.136 -21.875 0.827 283 HA3 GLY 40 2HA GLY 40 1.535 -22.200 1.264 284 H SER 41 H SER 41 -0.806 -22.868 2.787 285 HA SER 41 HA SER 41 -1.281 -21.060 4.888 286 HB2 SER 41 1HB SER 41 -2.728 -23.016 4.346 287 HB3 SER 41 2HB SER 41 -1.476 -24.080 4.987 288 HG SER 41 HG SER 41 -3.383 -23.088 6.357 289 H LYS 42 H LYS 42 -0.507 -21.005 7.018 290 HA LYS 42 HA LYS 42 2.285 -21.776 7.263 291 HB2 LYS 42 1HB LYS 42 0.541 -20.214 9.177 292 HB3 LYS 42 2HB LYS 42 2.289 -20.385 9.269 293 HG2 LYS 42 1HG LYS 42 2.525 -19.183 7.160 294 HG3 LYS 42 2HG LYS 42 0.770 -19.023 7.052 295 HD2 LYS 42 1HD LYS 42 2.143 -18.055 9.512 296 HD3 LYS 42 2HD LYS 42 2.268 -17.088 8.041 297 HE2 LYS 42 1HE LYS 42 -0.091 -16.841 7.905 298 HE3 LYS 42 2HE LYS 42 -0.356 -18.055 9.155 299 HZ1 LYS 42 1HZ LYS 42 0.649 -16.582 10.769 300 HZ2 LYS 42 2HZ LYS 42 -0.640 -15.802 10.000 301 HZ3 LYS 42 3HZ LYS 42 0.953 -15.423 9.575 302 H ASP 43 H ASP 43 3.095 -22.822 9.207 303 HA ASP 43 HA ASP 43 1.266 -24.929 10.098 304 HB2 ASP 43 1HB ASP 43 3.651 -25.306 9.084 305 HB3 ASP 43 2HB ASP 43 4.201 -24.904 10.709 306 H THR 44 H THR 44 2.201 -25.746 12.437 307 HA THR 44 HA THR 44 1.152 -23.941 14.295 308 HB THR 44 HB THR 44 1.524 -26.487 14.529 309 HG1 THR 44 1HG THR 44 0.610 -25.375 16.224 310 HG21 THR 44 1HG2 THR 44 4.002 -26.319 14.184 311 HG22 THR 44 2HG2 THR 44 3.526 -27.196 15.638 312 HG23 THR 44 3HG2 THR 44 4.109 -25.536 15.760 313 H GLU 45 H GLU 45 4.404 -24.371 13.101 314 HA GLU 45 HA GLU 45 5.654 -22.808 15.156 315 HB2 GLU 45 1HB GLU 45 6.650 -24.619 13.498 316 HB3 GLU 45 2HB GLU 45 6.931 -23.207 12.489 317 HG2 GLU 45 1HG GLU 45 8.050 -23.806 15.205 318 HG3 GLU 45 2HG GLU 45 8.916 -23.544 13.692 319 H GLY 46 H GLY 46 4.037 -22.146 12.183 320 HA2 GLY 46 1HA GLY 46 3.245 -19.975 11.640 321 HA3 GLY 46 2HA GLY 46 4.566 -19.288 12.574 322 H LYS 47 H LYS 47 4.917 -21.831 10.173 323 HA LYS 47 HA LYS 47 6.186 -19.903 8.351 324 HB2 LYS 47 1HB LYS 47 7.975 -21.530 7.893 325 HB3 LYS 47 2HB LYS 47 7.970 -21.019 9.576 326 HG2 LYS 47 1HG LYS 47 7.094 -23.069 10.310 327 HG3 LYS 47 2HG LYS 47 6.622 -23.545 8.677 328 HD2 LYS 47 1HD LYS 47 8.534 -24.777 8.897 329 HD3 LYS 47 2HD LYS 47 9.219 -23.289 8.239 330 HE2 LYS 47 1HE LYS 47 8.946 -23.558 11.193 331 HE3 LYS 47 2HE LYS 47 10.237 -24.442 10.380 332 HZ1 LYS 47 1HZ LYS 47 9.930 -21.622 9.703 333 HZ2 LYS 47 2HZ LYS 47 11.335 -22.549 9.862 334 HZ3 LYS 47 3HZ LYS 47 10.540 -21.975 11.241 335 H SER 48 H SER 48 6.080 -20.409 6.150 336 HA SER 48 HA SER 48 3.854 -22.120 5.441 337 HB2 SER 48 1HB SER 48 4.319 -19.800 4.457 338 HB3 SER 48 2HB SER 48 5.594 -20.577 3.518 339 HG SER 48 HG SER 48 2.962 -21.589 3.519 340 H TRP 49 H TRP 49 3.937 -23.982 4.266 341 HA TRP 49 HA TRP 49 6.054 -25.708 4.493 342 HB2 TRP 49 1HB TRP 49 5.006 -26.952 2.550 343 HB3 TRP 49 2HB TRP 49 3.924 -26.583 3.890 344 HD1 TRP 49 HD TRP 49 1.841 -25.085 3.388 345 HE1 TRP 49 1HE TRP 49 0.859 -24.059 1.242 346 HE3 TRP 49 3HE TRP 49 5.770 -25.910 0.223 347 HZ2 TRP 49 2HZ TRP 49 1.645 -23.654 -1.439 348 HZ3 TRP 49 3HZ TRP 49 5.574 -25.173 -2.117 349 HH2 TRP 49 HH TRP 49 3.553 -24.069 -2.929 350 H CYS 50 H CYS 50 5.748 -23.061 2.350 351 HA CYS 50 HA CYS 50 7.740 -24.056 0.482 352 HB2 CYS 50 1HB CYS 50 5.837 -22.740 -0.361 353 HB3 CYS 50 2HB CYS 50 6.350 -21.372 0.619 354 HG CYS 50 HG CYS 50 6.961 -20.975 -2.129 355 HA PRO 51 HA PRO 51 11.151 -22.368 2.721 356 HB2 PRO 51 1HB PRO 51 12.984 -22.463 0.721 357 HB3 PRO 51 2HB PRO 51 12.439 -23.900 1.593 358 HG2 PRO 51 1HG PRO 51 11.571 -22.861 -1.077 359 HG3 PRO 51 2HG PRO 51 11.924 -24.528 -0.586 360 HD2 PRO 51 1HD PRO 51 9.398 -23.572 -0.783 361 HD3 PRO 51 2HD PRO 51 9.862 -24.807 0.405 362 H ASP 52 H ASP 52 10.603 -21.157 -0.586 363 HA ASP 52 HA ASP 52 12.017 -18.758 -0.324 364 HB2 ASP 52 1HB ASP 52 9.667 -19.489 -2.076 365 HB3 ASP 52 2HB ASP 52 10.545 -17.969 -2.220 366 H CYS 53 H CYS 53 8.543 -19.401 0.107 367 HA CYS 53 HA CYS 53 7.664 -16.865 0.706 368 HB2 CYS 53 1HB CYS 53 6.341 -19.074 0.518 369 HB3 CYS 53 2HB CYS 53 6.672 -19.258 2.236 370 HG CYS 53 HG CYS 53 4.174 -18.292 2.307 371 H VAL 54 H VAL 54 9.074 -19.249 2.924 372 HA VAL 54 HA VAL 54 8.805 -17.755 5.283 373 HB VAL 54 HB VAL 54 10.836 -19.858 4.530 374 HG11 VAL 54 1HG1 VAL 54 11.195 -20.047 7.002 375 HG12 VAL 54 2HG1 VAL 54 11.824 -18.567 6.276 376 HG13 VAL 54 3HG1 VAL 54 10.312 -18.532 7.184 377 HG21 VAL 54 1HG2 VAL 54 9.456 -21.385 5.702 378 HG22 VAL 54 2HG2 VAL 54 8.463 -20.088 6.369 379 HG23 VAL 54 3HG2 VAL 54 8.386 -20.462 4.647 380 H GLU 55 H GLU 55 10.938 -17.400 2.615 381 HA GLU 55 HA GLU 55 12.804 -15.748 4.145 382 HB2 GLU 55 1HB GLU 55 13.518 -17.505 2.403 383 HB3 GLU 55 2HB GLU 55 12.985 -16.338 1.200 384 HG2 GLU 55 1HG GLU 55 15.278 -15.980 1.398 385 HG3 GLU 55 2HG GLU 55 14.544 -14.687 2.344 386 H ALA 56 H ALA 56 10.254 -15.522 1.790 387 HA ALA 56 HA ALA 56 10.813 -12.788 1.074 388 HB1 ALA 56 1HB ALA 56 8.365 -14.469 0.547 389 HB2 ALA 56 2HB ALA 56 8.730 -12.909 -0.190 390 HB3 ALA 56 3HB ALA 56 9.756 -14.304 -0.524 391 H GLU 57 H GLU 57 8.783 -14.473 3.372 392 HA GLU 57 HA GLU 57 6.881 -12.663 4.063 393 HB2 GLU 57 1HB GLU 57 6.703 -14.519 5.374 394 HB3 GLU 57 2HB GLU 57 8.442 -14.671 5.580 395 HG2 GLU 57 1HG GLU 57 7.427 -14.176 7.695 396 HG3 GLU 57 2HG GLU 57 8.393 -12.797 7.174 397 HA PRO 58 HA PRO 58 9.919 -10.256 6.947 398 HB2 PRO 58 1HB PRO 58 12.562 -10.842 6.739 399 HB3 PRO 58 2HB PRO 58 11.477 -11.680 7.856 400 HG2 PRO 58 1HG PRO 58 12.455 -12.540 5.160 401 HG3 PRO 58 2HG PRO 58 12.295 -13.491 6.648 402 HD2 PRO 58 1HD PRO 58 10.475 -13.602 4.646 403 HD3 PRO 58 2HD PRO 58 10.031 -13.807 6.353 404 H VAL 59 H VAL 59 10.486 -11.007 3.660 405 HA VAL 59 HA VAL 59 12.057 -8.610 3.146 406 HB VAL 59 HB VAL 59 10.968 -10.570 1.126 407 HG11 VAL 59 1HG1 VAL 59 11.784 -9.110 -0.338 408 HG12 VAL 59 2HG1 VAL 59 12.476 -8.122 0.951 409 HG13 VAL 59 3HG1 VAL 59 13.394 -9.473 0.283 410 HG21 VAL 59 1HG2 VAL 59 12.616 -11.342 3.077 411 HG22 VAL 59 2HG2 VAL 59 12.731 -11.969 1.433 412 HG23 VAL 59 3HG2 VAL 59 13.808 -10.675 1.961 413 H ILE 60 H ILE 60 8.781 -9.708 2.984 414 HA ILE 60 HA ILE 60 7.955 -7.473 1.303 415 HB ILE 60 HB ILE 60 6.315 -9.686 2.542 416 HG12 ILE 60 1HG1 ILE 60 7.417 -9.273 -0.240 417 HG13 ILE 60 2HG1 ILE 60 7.776 -10.593 0.867 418 HG21 ILE 60 1HG2 ILE 60 4.440 -8.867 1.480 419 HG22 ILE 60 2HG2 ILE 60 5.245 -7.380 1.980 420 HG23 ILE 60 3HG2 ILE 60 5.378 -7.937 0.312 421 HD11 ILE 60 1HD1 ILE 60 4.952 -10.435 0.355 422 HD12 ILE 60 2HD1 ILE 60 5.865 -10.552 -1.149 423 HD13 ILE 60 3HD1 ILE 60 6.071 -11.775 0.105 424 H ARG 61 H ARG 61 7.395 -8.719 4.581 425 HA ARG 61 HA ARG 61 5.647 -6.741 5.472 426 HB2 ARG 61 1HB ARG 61 7.558 -8.603 6.814 427 HB3 ARG 61 2HB ARG 61 6.832 -7.314 7.765 428 HG2 ARG 61 1HG ARG 61 4.606 -8.228 6.717 429 HG3 ARG 61 2HG ARG 61 5.566 -9.695 6.516 430 HD2 ARG 61 1HD ARG 61 6.190 -9.335 9.002 431 HD3 ARG 61 2HD ARG 61 4.780 -8.276 9.033 432 HE ARG 61 HE ARG 61 3.917 -10.633 7.907 433 HH11 ARG 61 2HH1 ARG 61 5.358 -9.654 10.921 434 HH12 ARG 61 1HH1 ARG 61 4.592 -10.905 11.843 435 HH21 ARG 61 2HH2 ARG 61 2.903 -12.285 9.110 436 HH22 ARG 61 1HH2 ARG 61 3.197 -12.401 10.812 437 H GLU 62 H GLU 62 9.194 -6.855 5.606 438 HA GLU 62 HA GLU 62 9.716 -4.569 7.040 439 HB2 GLU 62 1HB GLU 62 11.170 -5.841 4.734 440 HB3 GLU 62 2HB GLU 62 11.789 -4.394 5.517 441 HG2 GLU 62 1HG GLU 62 11.091 -6.790 7.153 442 HG3 GLU 62 2HG GLU 62 12.616 -6.731 6.271 443 H GLY 63 H GLY 63 9.586 -4.726 3.472 444 HA2 GLY 63 1HA GLY 63 9.732 -2.003 2.973 445 HA3 GLY 63 2HA GLY 63 8.937 -3.163 1.920 446 H LEU 64 H LEU 64 6.889 -3.960 3.723 447 HA LEU 64 HA LEU 64 4.906 -2.100 3.139 448 HB2 LEU 64 1HB LEU 64 5.123 -4.413 4.998 449 HB3 LEU 64 2HB LEU 64 3.741 -3.332 5.163 450 HG LEU 64 HG LEU 64 4.448 -4.696 2.574 451 HD11 LEU 64 1HD1 LEU 64 2.259 -5.653 4.358 452 HD12 LEU 64 2HD1 LEU 64 3.912 -6.199 4.641 453 HD13 LEU 64 3HD1 LEU 64 3.134 -6.509 3.089 454 HD21 LEU 64 1HD2 LEU 64 2.270 -4.090 1.885 455 HD22 LEU 64 2HD2 LEU 64 2.976 -2.643 2.606 456 HD23 LEU 64 3HD2 LEU 64 1.808 -3.603 3.516 457 H LYS 65 H LYS 65 7.284 -2.022 5.568 458 HA LYS 65 HA LYS 65 5.793 -0.289 7.354 459 HB2 LYS 65 1HB LYS 65 8.712 -1.078 7.414 460 HB3 LYS 65 2HB LYS 65 7.834 -0.262 8.700 461 HG2 LYS 65 1HG LYS 65 6.489 -2.190 9.105 462 HG3 LYS 65 2HG LYS 65 7.129 -3.001 7.674 463 HD2 LYS 65 1HD LYS 65 8.264 -3.944 9.521 464 HD3 LYS 65 2HD LYS 65 9.409 -2.833 8.766 465 HE2 LYS 65 1HE LYS 65 8.418 -1.125 10.482 466 HE3 LYS 65 2HE LYS 65 7.934 -2.581 11.350 467 HZ1 LYS 65 1HZ LYS 65 10.703 -2.372 10.415 468 HZ2 LYS 65 2HZ LYS 65 10.084 -3.152 11.782 469 HZ3 LYS 65 3HZ LYS 65 10.247 -1.468 11.771 470 H HIS 66 H HIS 66 8.091 -0.026 4.761 471 HA HIS 66 HA HIS 66 8.493 2.824 5.296 472 HB2 HIS 66 1HB HIS 66 9.796 1.036 3.231 473 HB3 HIS 66 2HB HIS 66 10.224 2.713 3.558 474 HD1 HIS 66 1HD HIS 66 11.857 3.141 5.421 475 HD2 HIS 66 2HD HIS 66 10.473 -0.776 5.371 476 HE1 HIS 66 1HE HIS 66 13.268 1.908 7.098 477 HE2 HIS 66 2HE HIS 66 12.469 -0.478 6.989 478 H VAL 67 H VAL 67 6.014 1.433 4.175 479 HA VAL 67 HA VAL 67 5.723 2.203 1.470 480 HB VAL 67 HB VAL 67 4.275 0.537 2.649 481 HG11 VAL 67 1HG1 VAL 67 2.824 2.940 3.737 482 HG12 VAL 67 2HG1 VAL 67 2.486 1.237 4.052 483 HG13 VAL 67 3HG1 VAL 67 3.957 1.977 4.684 484 HG21 VAL 67 1HG2 VAL 67 2.653 0.823 1.108 485 HG22 VAL 67 2HG2 VAL 67 2.346 2.493 1.585 486 HG23 VAL 67 3HG2 VAL 67 3.709 2.114 0.532 487 H THR 68 H THR 68 4.722 3.977 0.538 488 HA THR 68 HA THR 68 4.467 6.327 2.297 489 HB THR 68 HB THR 68 5.044 7.730 0.419 490 HG1 THR 68 1HG THR 68 4.725 5.332 -1.008 491 HG21 THR 68 1HG2 THR 68 7.280 6.274 -0.227 492 HG22 THR 68 2HG2 THR 68 6.805 5.578 1.323 493 HG23 THR 68 3HG2 THR 68 7.110 7.309 1.190 494 H GLU 69 H GLU 69 2.363 4.385 1.755 495 HA GLU 69 HA GLU 69 0.308 6.249 0.969 496 HB2 GLU 69 1HB GLU 69 -0.637 4.869 -0.803 497 HB3 GLU 69 2HB GLU 69 1.005 5.349 -1.208 498 HG2 GLU 69 1HG GLU 69 1.768 3.117 -0.373 499 HG3 GLU 69 2HG GLU 69 0.070 2.662 -0.239 500 H ASP 70 H ASP 70 -1.188 6.008 2.477 501 HA ASP 70 HA ASP 70 -1.358 4.006 4.351 502 HB2 ASP 70 1HB ASP 70 -3.834 5.398 3.362 503 HB3 ASP 70 2HB ASP 70 -3.423 4.917 5.006 504 H CYS 71 H CYS 71 -1.346 1.907 3.759 505 HA CYS 71 HA CYS 71 -3.607 0.974 2.122 506 HB2 CYS 71 1HB CYS 71 -2.215 -0.659 1.043 507 HB3 CYS 71 2HB CYS 71 -1.436 0.909 0.871 508 HG CYS 71 HG CYS 71 -0.443 -0.877 3.536 509 H VAL 72 H VAL 72 -3.862 -1.499 2.402 510 HA VAL 72 HA VAL 72 -3.391 -2.237 5.213 511 HB VAL 72 HB VAL 72 -5.955 -2.703 3.683 512 HG11 VAL 72 1HG1 VAL 72 -4.840 -3.854 6.133 513 HG12 VAL 72 2HG1 VAL 72 -6.479 -3.224 6.309 514 HG13 VAL 72 3HG1 VAL 72 -6.129 -4.445 5.084 515 HG21 VAL 72 1HG2 VAL 72 -6.114 -0.485 4.272 516 HG22 VAL 72 2HG2 VAL 72 -6.795 -1.261 5.701 517 HG23 VAL 72 3HG2 VAL 72 -5.128 -0.686 5.720 518 H PHE 73 H PHE 73 -1.924 -3.823 5.026 519 HA PHE 73 HA PHE 73 -1.761 -5.618 2.845 520 HB2 PHE 73 1HB PHE 73 0.152 -5.042 4.323 521 HB3 PHE 73 2HB PHE 73 -0.614 -5.946 5.625 522 HD1 PHE 73 2HD PHE 73 0.952 -6.233 2.300 523 HD2 PHE 73 1HD PHE 73 -0.463 -8.302 5.740 524 HE1 PHE 73 2HE PHE 73 2.047 -8.289 1.510 525 HE2 PHE 73 1HE PHE 73 0.630 -10.361 4.955 526 HZ PHE 73 HZ PHE 73 1.886 -10.357 2.837 527 H ILE 74 H ILE 74 -2.149 -7.889 2.816 528 HA ILE 74 HA ILE 74 -3.931 -8.953 4.872 529 HB ILE 74 HB ILE 74 -4.646 -9.026 1.938 530 HG12 ILE 74 1HG1 ILE 74 -5.963 -7.526 4.213 531 HG13 ILE 74 2HG1 ILE 74 -4.972 -6.794 2.957 532 HG21 ILE 74 1HG2 ILE 74 -6.597 -9.770 4.021 533 HG22 ILE 74 2HG2 ILE 74 -6.320 -10.462 2.423 534 HG23 ILE 74 3HG2 ILE 74 -5.262 -10.894 3.766 535 HD11 ILE 74 1HD1 ILE 74 -7.585 -8.224 2.536 536 HD12 ILE 74 2HD1 ILE 74 -7.331 -6.479 2.506 537 HD13 ILE 74 3HD1 ILE 74 -6.591 -7.499 1.273 538 H TYR 75 H TYR 75 -2.824 -10.685 5.519 539 HA TYR 75 HA TYR 75 -1.263 -12.245 3.633 540 HB2 TYR 75 1HB TYR 75 -0.508 -11.636 5.994 541 HB3 TYR 75 2HB TYR 75 -1.662 -12.836 6.564 542 HD1 TYR 75 1HD TYR 75 -1.418 -15.222 5.505 543 HD2 TYR 75 2HD TYR 75 1.666 -12.291 5.533 544 HE1 TYR 75 1HE TYR 75 0.259 -16.992 5.183 545 HE2 TYR 75 2HE TYR 75 3.351 -14.052 5.210 546 HH TYR 75 HH TYR 75 2.501 -17.451 5.322 547 H CYS 76 H CYS 76 -2.849 -13.204 2.342 548 HA CYS 76 HA CYS 76 -4.803 -14.947 3.632 549 HB2 CYS 76 1HB CYS 76 -5.615 -13.530 1.824 550 HB3 CYS 76 2HB CYS 76 -4.411 -14.198 0.728 551 HG CYS 76 HG CYS 76 -5.564 -16.584 0.339 552 H GLN 77 H GLN 77 -4.926 -17.166 3.269 553 HA GLN 77 HA GLN 77 -2.453 -18.376 2.223 554 HB2 GLN 77 1HB GLN 77 -4.342 -19.447 4.328 555 HB3 GLN 77 2HB GLN 77 -2.901 -20.265 3.740 556 HG2 GLN 77 1HG GLN 77 -1.482 -18.894 4.877 557 HG3 GLN 77 2HG GLN 77 -2.595 -17.528 4.840 558 HE21 GLN 77 1HE2 GLN 77 -4.043 -17.256 6.471 559 HE22 GLN 77 2HE2 GLN 77 -4.082 -18.237 7.892 560 H VAL 78 H VAL 78 -2.688 -19.405 0.363 561 HA VAL 78 HA VAL 78 -4.980 -19.795 -1.067 562 HB VAL 78 HB VAL 78 -3.745 -21.737 -2.186 563 HG11 VAL 78 1HG1 VAL 78 -3.619 -19.085 -2.563 564 HG12 VAL 78 2HG1 VAL 78 -1.923 -19.412 -2.201 565 HG13 VAL 78 3HG1 VAL 78 -2.716 -20.244 -3.539 566 HG21 VAL 78 1HG2 VAL 78 -2.152 -22.643 -0.890 567 HG22 VAL 78 2HG2 VAL 78 -1.160 -21.295 -1.447 568 HG23 VAL 78 3HG2 VAL 78 -1.995 -21.194 0.102 569 H GLY 79 H GLY 79 -3.381 -22.297 0.919 570 HA2 GLY 79 1HA GLY 79 -5.543 -23.308 2.231 571 HA3 GLY 79 2HA GLY 79 -5.619 -24.088 0.658 572 H ASP 80 H ASP 80 -3.347 -24.962 -0.042 573 HA ASP 80 HA ASP 80 -1.690 -25.920 2.103 574 HB2 ASP 80 1HB ASP 80 -3.052 -28.073 0.514 575 HB3 ASP 80 2HB ASP 80 -2.200 -28.201 2.050 576 H LYS 81 H LYS 81 -0.134 -27.691 1.126 577 HA LYS 81 HA LYS 81 1.261 -26.440 -0.989 578 HB2 LYS 81 1HB LYS 81 2.727 -27.624 0.301 579 HB3 LYS 81 2HB LYS 81 1.573 -28.913 0.619 580 HG2 LYS 81 1HG LYS 81 2.061 -30.012 -1.370 581 HG3 LYS 81 2HG LYS 81 2.788 -28.576 -2.095 582 HD2 LYS 81 1HD LYS 81 4.466 -28.833 -0.071 583 HD3 LYS 81 2HD LYS 81 3.933 -30.515 -0.146 584 HE2 LYS 81 1HE LYS 81 4.811 -30.834 -2.260 585 HE3 LYS 81 2HE LYS 81 4.776 -29.115 -2.647 586 HZ1 LYS 81 1HZ LYS 81 6.732 -30.603 -1.022 587 HZ2 LYS 81 2HZ LYS 81 6.528 -28.940 -0.795 588 HZ3 LYS 81 3HZ LYS 81 7.006 -29.535 -2.304 589 HA PRO 82 HA PRO 82 -0.210 -30.156 -3.705 590 HB2 PRO 82 1HB PRO 82 -2.163 -31.744 -2.687 591 HB3 PRO 82 2HB PRO 82 -0.442 -32.055 -2.432 592 HG2 PRO 82 1HG PRO 82 -2.423 -30.747 -0.607 593 HG3 PRO 82 2HG PRO 82 -1.166 -31.938 -0.225 594 HD2 PRO 82 1HD PRO 82 -0.856 -29.290 0.249 595 HD3 PRO 82 2HD PRO 82 0.503 -30.349 -0.180 596 H TYR 83 H TYR 83 -2.425 -28.356 -1.716 597 HA TYR 83 HA TYR 83 -4.646 -28.514 -3.521 598 HB2 TYR 83 1HB TYR 83 -5.276 -28.107 -1.304 599 HB3 TYR 83 2HB TYR 83 -4.029 -26.887 -1.072 600 HD1 TYR 83 2HD TYR 83 -4.314 -24.629 -2.088 601 HD2 TYR 83 1HD TYR 83 -7.428 -27.528 -2.138 602 HE1 TYR 83 2HE TYR 83 -5.946 -22.859 -2.587 603 HE2 TYR 83 1HE TYR 83 -9.069 -25.766 -2.638 604 HH TYR 83 HH TYR 83 -8.080 -22.487 -3.362 605 H TRP 84 H TRP 84 -1.969 -26.313 -2.996 606 HA TRP 84 HA TRP 84 -2.851 -24.103 -4.436 607 HB2 TRP 84 1HB TRP 84 -0.867 -23.834 -3.190 608 HB3 TRP 84 2HB TRP 84 -0.105 -25.234 -3.940 609 HD1 TRP 84 HD TRP 84 1.926 -24.263 -5.178 610 HE1 TRP 84 1HE TRP 84 2.296 -22.392 -6.906 611 HE3 TRP 84 3HE TRP 84 -2.772 -22.248 -5.210 612 HZ2 TRP 84 2HZ TRP 84 0.795 -20.334 -8.122 613 HZ3 TRP 84 3HZ TRP 84 -3.222 -20.330 -6.684 614 HH2 TRP 84 HH TRP 84 -1.474 -19.394 -8.108 615 H LYS 85 H LYS 85 -1.064 -26.954 -5.580 616 HA LYS 85 HA LYS 85 -0.661 -26.275 -8.209 617 HB2 LYS 85 1HB LYS 85 -1.430 -28.982 -7.103 618 HB3 LYS 85 2HB LYS 85 -0.752 -28.707 -8.702 619 HG2 LYS 85 1HG LYS 85 1.331 -28.079 -7.834 620 HG3 LYS 85 2HG LYS 85 0.678 -27.847 -6.210 621 HD2 LYS 85 1HD LYS 85 0.112 -30.373 -6.345 622 HD3 LYS 85 2HD LYS 85 1.289 -30.397 -7.660 623 HE2 LYS 85 1HE LYS 85 3.043 -29.744 -6.248 624 HE3 LYS 85 2HE LYS 85 1.940 -29.196 -4.987 625 HZ1 LYS 85 1HZ LYS 85 2.244 -31.172 -4.056 626 HZ2 LYS 85 2HZ LYS 85 3.045 -31.786 -5.413 627 HZ3 LYS 85 3HZ LYS 85 1.357 -31.851 -5.327 628 H ASP 86 H ASP 86 -3.612 -27.474 -6.701 629 HA ASP 86 HA ASP 86 -5.221 -28.167 -8.741 630 HB2 ASP 86 1HB ASP 86 -6.134 -26.200 -6.639 631 HB3 ASP 86 2HB ASP 86 -7.107 -27.406 -7.476 632 HA PRO 87 HA PRO 87 -4.734 -24.491 -11.339 633 HB2 PRO 87 1HB PRO 87 -5.577 -25.725 -13.605 634 HB3 PRO 87 2HB PRO 87 -3.928 -25.873 -12.987 635 HG2 PRO 87 1HG PRO 87 -6.232 -27.765 -12.710 636 HG3 PRO 87 2HG PRO 87 -4.532 -28.117 -13.073 637 HD2 PRO 87 1HD PRO 87 -5.589 -28.430 -10.600 638 HD3 PRO 87 2HD PRO 87 -3.897 -27.961 -10.862 639 H ASN 88 H ASN 88 -7.455 -26.397 -10.494 640 HA ASN 88 HA ASN 88 -9.322 -24.601 -11.856 641 HB2 ASN 88 1HB ASN 88 -9.793 -27.179 -10.344 642 HB3 ASN 88 2HB ASN 88 -11.056 -26.226 -11.119 643 HD21 ASN 88 1HD2 ASN 88 -8.764 -28.658 -11.505 644 HD22 ASN 88 2HD2 ASN 88 -8.881 -28.843 -13.219 645 H ASN 89 H ASN 89 -7.688 -23.798 -9.531 646 HA ASN 89 HA ASN 89 -9.553 -23.587 -7.330 647 HB2 ASN 89 1HB ASN 89 -6.707 -22.818 -7.801 648 HB3 ASN 89 2HB ASN 89 -7.594 -21.987 -6.526 649 HD21 ASN 89 1HD2 ASN 89 -5.412 -23.490 -5.921 650 HD22 ASN 89 2HD2 ASN 89 -5.893 -24.915 -5.069 651 H ASP 90 H ASP 90 -10.266 -21.566 -6.441 652 HA ASP 90 HA ASP 90 -11.289 -19.791 -8.399 653 HB2 ASP 90 1HB ASP 90 -11.192 -19.622 -5.384 654 HB3 ASP 90 2HB ASP 90 -12.022 -18.443 -6.396 655 H PHE 91 H PHE 91 -8.316 -19.927 -6.743 656 HA PHE 91 HA PHE 91 -7.719 -17.130 -6.765 657 HB2 PHE 91 1HB PHE 91 -5.957 -19.568 -6.464 658 HB3 PHE 91 2HB PHE 91 -5.373 -17.914 -6.318 659 HD1 PHE 91 2HD PHE 91 -6.165 -16.486 -4.459 660 HD2 PHE 91 1HD PHE 91 -7.138 -20.623 -4.704 661 HE1 PHE 91 2HE PHE 91 -6.786 -16.478 -2.079 662 HE2 PHE 91 1HE PHE 91 -7.762 -20.620 -2.324 663 HZ PHE 91 HZ PHE 91 -7.584 -18.546 -1.008 664 H ARG 92 H ARG 92 -6.623 -19.881 -8.746 665 HA ARG 92 HA ARG 92 -5.272 -18.167 -10.615 666 HB2 ARG 92 1HB ARG 92 -5.987 -21.065 -11.036 667 HB3 ARG 92 2HB ARG 92 -4.675 -20.156 -11.774 668 HG2 ARG 92 1HG ARG 92 -3.371 -20.235 -9.872 669 HG3 ARG 92 2HG ARG 92 -4.753 -20.521 -8.813 670 HD2 ARG 92 1HD ARG 92 -4.807 -22.761 -9.258 671 HD3 ARG 92 2HD ARG 92 -4.139 -22.564 -10.878 672 HE ARG 92 HE ARG 92 -2.689 -23.107 -8.502 673 HH11 ARG 92 2HH1 ARG 92 -2.512 -21.350 -11.502 674 HH12 ARG 92 1HH1 ARG 92 -0.781 -21.389 -11.574 675 HH21 ARG 92 2HH2 ARG 92 -0.411 -23.165 -8.585 676 HH22 ARG 92 1HH2 ARG 92 0.413 -22.423 -9.914 677 H GLN 93 H GLN 93 -8.475 -19.132 -10.164 678 HA GLN 93 HA GLN 93 -9.177 -18.844 -12.987 679 HB2 GLN 93 1HB GLN 93 -10.897 -19.564 -10.607 680 HB3 GLN 93 2HB GLN 93 -11.431 -19.544 -12.283 681 HG2 GLN 93 1HG GLN 93 -9.085 -21.221 -11.568 682 HG3 GLN 93 2HG GLN 93 -10.692 -21.769 -11.093 683 HE21 GLN 93 1HE2 GLN 93 -8.437 -22.108 -13.378 684 HE22 GLN 93 2HE2 GLN 93 -9.424 -22.489 -14.744 685 H LYS 94 H LYS 94 -9.624 -17.275 -9.873 686 HA LYS 94 HA LYS 94 -11.119 -15.107 -11.168 687 HB2 LYS 94 1HB LYS 94 -10.656 -15.495 -8.211 688 HB3 LYS 94 2HB LYS 94 -11.830 -14.436 -8.981 689 HG2 LYS 94 1HG LYS 94 -12.016 -17.333 -9.570 690 HG3 LYS 94 2HG LYS 94 -12.490 -16.790 -7.959 691 HD2 LYS 94 1HD LYS 94 -14.492 -16.535 -9.008 692 HD3 LYS 94 2HD LYS 94 -13.790 -14.962 -9.396 693 HE2 LYS 94 1HE LYS 94 -13.233 -15.633 -11.580 694 HE3 LYS 94 2HE LYS 94 -13.460 -17.340 -11.202 695 HZ1 LYS 94 1HZ LYS 94 -15.461 -17.059 -12.111 696 HZ2 LYS 94 2HZ LYS 94 -15.392 -15.372 -12.013 697 HZ3 LYS 94 3HZ LYS 94 -15.887 -16.277 -10.673 698 H LEU 95 H LEU 95 -8.433 -15.578 -8.874 699 HA LEU 95 HA LEU 95 -7.524 -12.857 -9.298 700 HB2 LEU 95 1HB LEU 95 -6.331 -15.089 -7.661 701 HB3 LEU 95 2HB LEU 95 -5.797 -13.409 -7.654 702 HG LEU 95 HG LEU 95 -8.553 -14.276 -6.798 703 HD11 LEU 95 1HD1 LEU 95 -6.031 -14.567 -5.433 704 HD12 LEU 95 2HD1 LEU 95 -7.640 -15.105 -4.953 705 HD13 LEU 95 3HD1 LEU 95 -7.104 -13.472 -4.561 706 HD21 LEU 95 1HD2 LEU 95 -8.550 -11.987 -7.365 707 HD22 LEU 95 2HD2 LEU 95 -6.982 -11.719 -6.603 708 HD23 LEU 95 3HD2 LEU 95 -8.402 -12.044 -5.608 709 H LYS 96 H LYS 96 -7.241 -15.629 -11.005 710 HA LYS 96 HA LYS 96 -5.637 -16.567 -12.375 711 HB2 LYS 96 1HB LYS 96 -5.891 -13.665 -13.009 712 HB3 LYS 96 2HB LYS 96 -4.644 -14.584 -13.841 713 HG2 LYS 96 1HG LYS 96 -6.367 -14.822 -15.309 714 HG3 LYS 96 2HG LYS 96 -6.632 -16.243 -14.296 715 HD2 LYS 96 1HD LYS 96 -8.749 -15.386 -14.308 716 HD3 LYS 96 2HD LYS 96 -8.097 -14.532 -12.907 717 HE2 LYS 96 1HE LYS 96 -9.212 -12.911 -14.225 718 HE3 LYS 96 2HE LYS 96 -7.485 -12.659 -14.477 719 HZ1 LYS 96 1HZ LYS 96 -9.326 -14.093 -16.314 720 HZ2 LYS 96 2HZ LYS 96 -7.661 -13.916 -16.550 721 HZ3 LYS 96 3HZ LYS 96 -8.666 -12.556 -16.563 722 H ILE 97 H ILE 97 -4.500 -16.463 -9.929 723 HA ILE 97 HA ILE 97 -2.131 -14.978 -9.691 724 HB ILE 97 HB ILE 97 -2.710 -17.701 -8.518 725 HG12 ILE 97 1HG1 ILE 97 -4.426 -15.934 -8.024 726 HG13 ILE 97 2HG1 ILE 97 -3.599 -16.558 -6.601 727 HG21 ILE 97 1HG2 ILE 97 -1.113 -16.936 -6.754 728 HG22 ILE 97 2HG2 ILE 97 -0.382 -17.212 -8.334 729 HG23 ILE 97 3HG2 ILE 97 -0.713 -15.567 -7.791 730 HD11 ILE 97 1HD1 ILE 97 -2.101 -14.565 -6.704 731 HD12 ILE 97 2HD1 ILE 97 -3.143 -13.927 -7.977 732 HD13 ILE 97 3HD1 ILE 97 -3.794 -14.207 -6.362 733 H THR 98 H THR 98 0.055 -15.598 -9.963 734 HA THR 98 HA THR 98 0.450 -17.423 -12.219 735 HB THR 98 HB THR 98 2.379 -15.419 -11.031 736 HG1 THR 98 1HG THR 98 0.298 -14.810 -12.309 737 HG21 THR 98 1HG2 THR 98 2.489 -17.117 -13.523 738 HG22 THR 98 2HG2 THR 98 3.594 -17.156 -12.148 739 HG23 THR 98 3HG2 THR 98 3.562 -15.752 -13.215 740 H ALA 99 H ALA 99 2.313 -16.565 -9.296 741 HA ALA 99 HA ALA 99 2.549 -19.345 -8.547 742 HB1 ALA 99 1HB ALA 99 4.329 -18.883 -10.317 743 HB2 ALA 99 2HB ALA 99 5.117 -17.889 -9.091 744 HB3 ALA 99 3HB ALA 99 4.862 -19.610 -8.801 745 H VAL 100 H VAL 100 2.478 -19.449 -6.404 746 HA VAL 100 HA VAL 100 2.731 -17.057 -4.820 747 HB VAL 100 HB VAL 100 1.945 -18.328 -2.981 748 HG11 VAL 100 1HG1 VAL 100 -0.062 -19.432 -3.882 749 HG12 VAL 100 2HG1 VAL 100 0.243 -17.870 -4.646 750 HG13 VAL 100 3HG1 VAL 100 0.643 -19.363 -5.497 751 HG21 VAL 100 1HG2 VAL 100 1.790 -20.781 -3.012 752 HG22 VAL 100 2HG2 VAL 100 2.591 -20.803 -4.583 753 HG23 VAL 100 3HG2 VAL 100 3.456 -20.224 -3.160 754 HA PRO 101 HA PRO 101 3.014 -16.665 -2.570 755 HB2 PRO 101 1HB PRO 101 4.626 -14.648 -1.731 756 HB3 PRO 101 2HB PRO 101 4.439 -16.163 -0.839 757 HG2 PRO 101 1HG PRO 101 6.622 -15.322 -2.706 758 HG3 PRO 101 2HG PRO 101 6.744 -16.155 -1.145 759 HD2 PRO 101 1HD PRO 101 6.923 -17.460 -3.511 760 HD3 PRO 101 2HD PRO 101 6.229 -18.208 -2.059 761 H THR 102 H THR 102 1.850 -14.992 -3.386 762 HA THR 102 HA THR 102 3.073 -13.391 -5.535 763 HB THR 102 HB THR 102 0.190 -14.272 -5.577 764 HG1 THR 102 1HG THR 102 2.508 -15.600 -6.424 765 HG21 THR 102 1HG2 THR 102 0.442 -12.428 -6.986 766 HG22 THR 102 2HG2 THR 102 0.631 -13.801 -8.077 767 HG23 THR 102 3HG2 THR 102 2.052 -12.926 -7.506 768 H LEU 103 H LEU 103 3.232 -11.391 -4.748 769 HA LEU 103 HA LEU 103 1.177 -10.362 -2.949 770 HB2 LEU 103 1HB LEU 103 3.555 -10.085 -2.375 771 HB3 LEU 103 2HB LEU 103 3.781 -9.128 -3.837 772 HG LEU 103 HG LEU 103 2.055 -7.525 -2.854 773 HD11 LEU 103 1HD1 LEU 103 2.676 -9.191 -0.424 774 HD12 LEU 103 2HD1 LEU 103 1.098 -8.888 -1.148 775 HD13 LEU 103 3HD1 LEU 103 1.972 -7.575 -0.358 776 HD21 LEU 103 1HD2 LEU 103 4.360 -6.906 -2.977 777 HD22 LEU 103 2HD2 LEU 103 4.763 -7.918 -1.590 778 HD23 LEU 103 3HD2 LEU 103 3.770 -6.476 -1.371 779 H LEU 104 H LEU 104 -0.572 -9.809 -4.161 780 HA LEU 104 HA LEU 104 -0.188 -8.159 -6.542 781 HB2 LEU 104 1HB LEU 104 -1.706 -9.885 -6.956 782 HB3 LEU 104 2HB LEU 104 -2.505 -9.677 -5.399 783 HG LEU 104 HG LEU 104 -3.447 -7.533 -6.230 784 HD11 LEU 104 1HD1 LEU 104 -1.525 -7.692 -8.159 785 HD12 LEU 104 2HD1 LEU 104 -2.939 -6.640 -8.217 786 HD13 LEU 104 3HD1 LEU 104 -2.968 -8.202 -9.035 787 HD21 LEU 104 1HD2 LEU 104 -4.742 -9.605 -6.308 788 HD22 LEU 104 2HD2 LEU 104 -4.080 -9.963 -7.904 789 HD23 LEU 104 3HD2 LEU 104 -5.123 -8.558 -7.676 790 H LYS 105 H LYS 105 -0.497 -6.030 -6.548 791 HA LYS 105 HA LYS 105 -1.368 -4.728 -4.100 792 HB2 LYS 105 1HB LYS 105 0.647 -3.926 -5.278 793 HB3 LYS 105 2HB LYS 105 -0.338 -3.541 -6.684 794 HG2 LYS 105 1HG LYS 105 -1.524 -1.851 -5.461 795 HG3 LYS 105 2HG LYS 105 -0.712 -2.309 -3.963 796 HD2 LYS 105 1HD LYS 105 1.406 -1.567 -4.816 797 HD3 LYS 105 2HD LYS 105 0.715 -1.288 -6.416 798 HE2 LYS 105 1HE LYS 105 -0.173 0.154 -3.923 799 HE3 LYS 105 2HE LYS 105 1.047 0.775 -5.034 800 HZ1 LYS 105 1HZ LYS 105 -1.819 0.707 -5.305 801 HZ2 LYS 105 2HZ LYS 105 -0.997 0.174 -6.684 802 HZ3 LYS 105 3HZ LYS 105 -0.685 1.713 -6.056 803 H TYR 106 H TYR 106 -3.588 -5.168 -4.087 804 HA TYR 106 HA TYR 106 -5.436 -4.975 -6.073 805 HB2 TYR 106 1HB TYR 106 -5.641 -5.375 -3.448 806 HB3 TYR 106 2HB TYR 106 -6.168 -3.697 -3.482 807 HD1 TYR 106 2HD TYR 106 -6.777 -6.449 -5.923 808 HD2 TYR 106 1HD TYR 106 -8.461 -3.747 -3.100 809 HE1 TYR 106 2HE TYR 106 -9.033 -7.176 -6.581 810 HE2 TYR 106 1HE TYR 106 -10.721 -4.467 -3.749 811 HH TYR 106 HH TYR 106 -11.802 -5.504 -5.810 812 H GLY 107 H GLY 107 -5.652 -3.453 -7.575 813 HA2 GLY 107 1HA GLY 107 -6.721 -1.180 -7.790 814 HA3 GLY 107 2HA GLY 107 -5.428 -0.629 -6.736 815 H THR 108 H THR 108 -3.578 -2.565 -8.162 816 HA THR 108 HA THR 108 -3.339 -1.249 -10.764 817 HB THR 108 HB THR 108 -0.970 -0.761 -10.443 818 HG1 THR 108 1HG THR 108 -0.849 -2.469 -8.683 819 HG21 THR 108 1HG2 THR 108 -1.289 0.918 -8.450 820 HG22 THR 108 2HG2 THR 108 -2.976 0.421 -8.573 821 HG23 THR 108 3HG2 THR 108 -2.167 1.149 -9.961 822 HA PRO 109 HA PRO 109 -2.222 -5.274 -12.137 823 HB2 PRO 109 1HB PRO 109 -0.785 -4.635 -14.350 824 HB3 PRO 109 2HB PRO 109 -2.545 -4.485 -14.270 825 HG2 PRO 109 1HG PRO 109 -0.447 -2.374 -13.947 826 HG3 PRO 109 2HG PRO 109 -1.977 -2.303 -14.841 827 HD2 PRO 109 1HD PRO 109 -1.676 -1.219 -12.377 828 HD3 PRO 109 2HD PRO 109 -3.215 -1.906 -12.937 829 H GLN 110 H GLN 110 -0.100 -3.215 -10.696 830 HA GLN 110 HA GLN 110 2.338 -4.656 -11.331 831 HB2 GLN 110 1HB GLN 110 1.649 -2.211 -9.772 832 HB3 GLN 110 2HB GLN 110 3.136 -3.057 -9.364 833 HG2 GLN 110 1HG GLN 110 3.486 -2.937 -11.985 834 HG3 GLN 110 2HG GLN 110 2.418 -1.546 -11.809 835 HE21 GLN 110 1HE2 GLN 110 3.144 -0.410 -9.517 836 HE22 GLN 110 2HE2 GLN 110 4.796 0.093 -9.560 837 H LYS 111 H LYS 111 2.795 -6.512 -10.372 838 HA LYS 111 HA LYS 111 2.163 -6.823 -7.520 839 HB2 LYS 111 1HB LYS 111 1.755 -9.312 -8.140 840 HB3 LYS 111 2HB LYS 111 0.471 -8.142 -8.412 841 HG2 LYS 111 1HG LYS 111 0.388 -9.155 -10.421 842 HG3 LYS 111 2HG LYS 111 1.681 -8.014 -10.794 843 HD2 LYS 111 1HD LYS 111 2.552 -10.537 -9.556 844 HD3 LYS 111 2HD LYS 111 1.849 -10.694 -11.167 845 HE2 LYS 111 1HE LYS 111 3.821 -8.523 -10.772 846 HE3 LYS 111 2HE LYS 111 4.441 -10.172 -10.743 847 HZ1 LYS 111 1HZ LYS 111 3.039 -10.393 -12.900 848 HZ2 LYS 111 2HZ LYS 111 4.565 -9.667 -12.960 849 HZ3 LYS 111 3HZ LYS 111 3.173 -8.707 -12.950 850 H LEU 112 H LEU 112 3.315 -8.923 -6.697 851 HA LEU 112 HA LEU 112 5.986 -9.108 -7.914 852 HB2 LEU 112 1HB LEU 112 5.423 -8.937 -4.958 853 HB3 LEU 112 2HB LEU 112 7.007 -9.096 -5.715 854 HG LEU 112 HG LEU 112 5.195 -6.707 -6.049 855 HD11 LEU 112 1HD1 LEU 112 5.850 -6.022 -4.047 856 HD12 LEU 112 2HD1 LEU 112 7.522 -6.055 -4.605 857 HD13 LEU 112 3HD1 LEU 112 6.823 -7.477 -3.831 858 HD21 LEU 112 1HD2 LEU 112 6.967 -7.322 -7.811 859 HD22 LEU 112 2HD2 LEU 112 8.142 -6.847 -6.585 860 HD23 LEU 112 3HD2 LEU 112 6.957 -5.679 -7.171 861 H VAL 113 H VAL 113 6.585 -11.130 -8.311 862 HA VAL 113 HA VAL 113 5.012 -13.320 -7.200 863 HB VAL 113 HB VAL 113 7.245 -13.828 -9.100 864 HG11 VAL 113 1HG1 VAL 113 4.901 -15.059 -9.941 865 HG12 VAL 113 2HG1 VAL 113 6.214 -15.801 -9.024 866 HG13 VAL 113 3HG1 VAL 113 4.824 -15.116 -8.180 867 HG21 VAL 113 1HG2 VAL 113 6.494 -12.064 -10.344 868 HG22 VAL 113 2HG2 VAL 113 5.387 -13.315 -10.910 869 HG23 VAL 113 3HG2 VAL 113 4.858 -12.156 -9.691 870 H GLU 114 H GLU 114 6.399 -15.406 -6.837 871 HA GLU 114 HA GLU 114 7.653 -15.409 -4.500 872 HB2 GLU 114 1HB GLU 114 8.908 -16.961 -6.754 873 HB3 GLU 114 2HB GLU 114 8.751 -17.424 -5.065 874 HG2 GLU 114 1HG GLU 114 6.239 -17.418 -5.464 875 HG3 GLU 114 2HG GLU 114 6.630 -17.349 -7.182 876 H SER 115 H SER 115 9.527 -15.038 -7.516 877 HA SER 115 HA SER 115 11.965 -14.427 -6.301 878 HB2 SER 115 1HB SER 115 11.316 -14.930 -8.816 879 HB3 SER 115 2HB SER 115 11.268 -13.170 -8.924 880 HG SER 115 HG SER 115 13.414 -14.856 -8.704 881 H GLU 116 H GLU 116 9.493 -12.227 -7.614 882 HA GLU 116 HA GLU 116 10.852 -9.876 -6.722 883 HB2 GLU 116 1HB GLU 116 7.936 -10.098 -7.467 884 HB3 GLU 116 2HB GLU 116 8.953 -8.664 -7.522 885 HG2 GLU 116 1HG GLU 116 10.336 -9.890 -9.257 886 HG3 GLU 116 2HG GLU 116 9.016 -11.057 -9.329 887 H CYS 117 H CYS 117 9.376 -12.218 -5.002 888 HA CYS 117 HA CYS 117 8.105 -10.439 -3.062 889 HB2 CYS 117 1HB CYS 117 8.158 -13.443 -3.352 890 HB3 CYS 117 2HB CYS 117 7.461 -12.632 -1.955 891 HG CYS 117 HG CYS 117 6.374 -11.879 -5.094 892 H CYS 118 H CYS 118 11.011 -12.180 -3.585 893 HA CYS 118 HA CYS 118 11.761 -11.959 -0.755 894 HB2 CYS 118 1HB CYS 118 12.089 -14.173 -1.669 895 HB3 CYS 118 2HB CYS 118 12.999 -13.523 -3.026 896 HG CYS 118 HG CYS 118 15.057 -14.486 -1.694 897 H GLN 119 H GLN 119 11.969 -10.216 -3.534 898 HA GLN 119 HA GLN 119 14.660 -9.190 -3.007 899 HB2 GLN 119 1HB GLN 119 12.806 -9.112 -5.340 900 HB3 GLN 119 2HB GLN 119 13.959 -7.797 -5.155 901 HG2 GLN 119 1HG GLN 119 14.547 -9.923 -6.560 902 HG3 GLN 119 2HG GLN 119 15.763 -9.130 -5.560 903 HE21 GLN 119 1HE2 GLN 119 13.890 -11.958 -6.072 904 HE22 GLN 119 2HE2 GLN 119 14.581 -12.914 -4.810 905 H SER 120 H SER 120 14.428 -7.899 -1.225 906 HA SER 120 HA SER 120 12.373 -6.251 -0.503 907 HB2 SER 120 1HB SER 120 14.421 -4.735 0.347 908 HB3 SER 120 2HB SER 120 13.975 -6.252 1.127 909 HG SER 120 HG SER 120 16.200 -5.619 -0.370 910 H SER 121 H SER 121 15.158 -5.317 -2.519 911 HA SER 121 HA SER 121 14.734 -2.722 -3.036 912 HB2 SER 121 1HB SER 121 15.980 -2.968 -4.959 913 HB3 SER 121 2HB SER 121 16.327 -4.511 -4.179 914 HG SER 121 HG SER 121 14.759 -5.474 -5.479 915 H LEU 122 H LEU 122 12.813 -5.370 -4.345 916 HA LEU 122 HA LEU 122 11.172 -3.604 -5.936 917 HB2 LEU 122 1HB LEU 122 10.862 -6.529 -5.276 918 HB3 LEU 122 2HB LEU 122 9.882 -5.638 -6.438 919 HG LEU 122 HG LEU 122 12.862 -5.956 -6.725 920 HD11 LEU 122 1HD1 LEU 122 11.650 -7.588 -8.599 921 HD12 LEU 122 2HD1 LEU 122 10.764 -7.918 -7.110 922 HD13 LEU 122 3HD1 LEU 122 12.517 -8.110 -7.154 923 HD21 LEU 122 1HD2 LEU 122 10.656 -4.803 -8.330 924 HD22 LEU 122 2HD2 LEU 122 11.912 -5.683 -9.201 925 HD23 LEU 122 3HD2 LEU 122 12.341 -4.303 -8.190 926 H VAL 123 H VAL 123 10.770 -5.562 -3.001 927 HA VAL 123 HA VAL 123 8.104 -5.076 -2.466 928 HB VAL 123 HB VAL 123 10.372 -5.331 -0.487 929 HG11 VAL 123 1HG1 VAL 123 8.819 -5.672 1.221 930 HG12 VAL 123 2HG1 VAL 123 8.167 -4.297 0.328 931 HG13 VAL 123 3HG1 VAL 123 7.486 -5.907 0.090 932 HG21 VAL 123 1HG2 VAL 123 8.422 -7.400 -1.493 933 HG22 VAL 123 2HG2 VAL 123 10.089 -7.232 -2.045 934 HG23 VAL 123 3HG2 VAL 123 9.754 -7.663 -0.368 935 H GLU 124 H GLU 124 10.915 -3.067 -1.707 936 HA GLU 124 HA GLU 124 9.345 -1.084 -0.336 937 HB2 GLU 124 1HB GLU 124 11.392 0.131 -0.081 938 HB3 GLU 124 2HB GLU 124 11.745 -1.570 0.189 939 HG2 GLU 124 1HG GLU 124 12.753 -1.784 -1.954 940 HG3 GLU 124 2HG GLU 124 12.202 -0.180 -2.436 941 H MET 125 H MET 125 10.110 -1.777 -3.581 942 HA MET 125 HA MET 125 9.891 0.926 -4.556 943 HB2 MET 125 1HB MET 125 11.237 -0.924 -5.650 944 HB3 MET 125 2HB MET 125 9.706 -1.613 -6.175 945 HG2 MET 125 1HG MET 125 9.329 0.811 -7.126 946 HG3 MET 125 2HG MET 125 11.090 0.853 -7.077 947 HE1 MET 125 1HE MET 125 8.241 -1.422 -7.699 948 HE2 MET 125 2HE MET 125 8.028 -0.949 -9.384 949 HE3 MET 125 3HE MET 125 8.756 -2.507 -8.991 950 H ILE 126 H ILE 126 7.901 -2.014 -4.914 951 HA ILE 126 HA ILE 126 5.742 -0.883 -6.222 952 HB ILE 126 HB ILE 126 6.070 -3.325 -5.801 953 HG12 ILE 126 1HG1 ILE 126 3.337 -2.527 -4.840 954 HG13 ILE 126 2HG1 ILE 126 3.861 -2.126 -6.472 955 HG21 ILE 126 1HG2 ILE 126 5.940 -2.472 -3.094 956 HG22 ILE 126 2HG2 ILE 126 4.599 -3.576 -3.393 957 HG23 ILE 126 3HG2 ILE 126 6.253 -4.088 -3.727 958 HD11 ILE 126 1HD1 ILE 126 2.787 -4.557 -5.501 959 HD12 ILE 126 2HD1 ILE 126 3.284 -4.146 -7.143 960 HD13 ILE 126 3HD1 ILE 126 4.445 -4.858 -6.023 961 H PHE 127 H PHE 127 6.679 -0.621 -2.896 962 HA PHE 127 HA PHE 127 4.105 0.424 -2.057 963 HB2 PHE 127 1HB PHE 127 6.724 0.026 -0.606 964 HB3 PHE 127 2HB PHE 127 5.307 0.753 0.144 965 HD1 PHE 127 2HD PHE 127 3.139 -0.908 -0.911 966 HD2 PHE 127 1HD PHE 127 7.015 -2.001 0.468 967 HE1 PHE 127 2HE PHE 127 2.299 -3.146 -0.331 968 HE2 PHE 127 1HE PHE 127 6.181 -4.241 1.049 969 HZ PHE 127 HZ PHE 127 3.819 -4.816 0.651 970 H SER 128 H SER 128 7.417 1.608 -2.505 971 HA SER 128 HA SER 128 6.985 4.249 -1.680 972 HB2 SER 128 1HB SER 128 9.227 3.255 -2.035 973 HB3 SER 128 2HB SER 128 8.939 3.263 -3.775 974 HG SER 128 HG SER 128 9.014 5.447 -3.789 975 H GLU 129 H GLU 129 6.831 2.806 -4.926 976 HA GLU 129 HA GLU 129 6.319 5.040 -6.439 977 HB2 GLU 129 1HB GLU 129 6.498 2.490 -7.068 978 HB3 GLU 129 2HB GLU 129 4.743 2.555 -6.975 979 HG2 GLU 129 1HG GLU 129 5.215 2.929 -9.219 980 HG3 GLU 129 2HG GLU 129 4.905 4.538 -8.570 981 H ASP 130 H ASP 130 4.654 6.399 -6.751 982 HA ASP 130 HA ASP 130 2.734 6.953 -4.951 983 HB2 ASP 130 1HB ASP 130 2.428 7.176 -7.953 984 HB3 ASP 130 2HB ASP 130 1.421 8.009 -6.772 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -13.600 21.142 12.264 2 HA2 GLY 1 1HA GLY 1 -13.118 19.707 14.097 3 HA3 GLY 1 2HA GLY 1 -12.314 18.947 12.732 4 H SER 2 H SER 2 -11.689 18.974 15.643 5 HA SER 2 HA SER 2 -9.422 20.565 16.140 6 HB2 SER 2 1HB SER 2 -10.443 18.003 17.353 7 HB3 SER 2 2HB SER 2 -8.937 18.742 17.897 8 HG SER 2 HG SER 2 -11.471 20.023 17.844 9 H GLU 3 H GLU 3 -9.631 17.116 15.254 10 HA GLU 3 HA GLU 3 -6.970 16.509 15.057 11 HB2 GLU 3 1HB GLU 3 -8.783 14.875 14.744 12 HB3 GLU 3 2HB GLU 3 -9.155 15.589 13.181 13 HG2 GLU 3 1HG GLU 3 -6.786 15.022 12.507 14 HG3 GLU 3 2HG GLU 3 -6.701 14.059 13.981 15 H GLY 4 H GLY 4 -5.381 16.624 13.475 16 HA2 GLY 4 1HA GLY 4 -5.544 17.433 10.871 17 HA3 GLY 4 2HA GLY 4 -5.521 18.938 11.778 18 H ALA 5 H ALA 5 -3.799 15.841 12.156 19 HA ALA 5 HA ALA 5 -1.267 17.321 11.897 20 HB1 ALA 5 1HB ALA 5 -1.670 16.926 14.262 21 HB2 ALA 5 2HB ALA 5 -1.879 15.202 13.954 22 HB3 ALA 5 3HB ALA 5 -0.307 15.959 13.695 23 H ALA 6 H ALA 6 -0.172 16.560 10.222 24 HA ALA 6 HA ALA 6 -0.774 14.211 8.829 25 HB1 ALA 6 1HB ALA 6 1.402 16.208 8.767 26 HB2 ALA 6 2HB ALA 6 1.746 14.643 8.031 27 HB3 ALA 6 3HB ALA 6 0.378 15.601 7.466 28 H THR 7 H THR 7 0.794 12.405 8.425 29 HA THR 7 HA THR 7 2.704 11.689 10.400 30 HB THR 7 HB THR 7 0.623 11.328 11.719 31 HG1 THR 7 1HG THR 7 1.185 8.998 12.135 32 HG21 THR 7 1HG2 THR 7 0.071 9.240 9.607 33 HG22 THR 7 2HG2 THR 7 -0.891 10.681 9.937 34 HG23 THR 7 3HG2 THR 7 -0.797 9.389 11.134 35 H MET 8 H MET 8 3.744 9.680 9.952 36 HA MET 8 HA MET 8 4.148 9.084 7.302 37 HB2 MET 8 1HB MET 8 5.364 8.303 9.524 38 HB3 MET 8 2HB MET 8 4.389 6.860 9.277 39 HG2 MET 8 1HG MET 8 6.351 6.324 8.204 40 HG3 MET 8 2HG MET 8 5.345 6.909 6.881 41 HE1 MET 8 1HE MET 8 7.845 7.310 5.398 42 HE2 MET 8 2HE MET 8 6.263 8.061 5.183 43 HE3 MET 8 3HE MET 8 7.721 9.054 5.162 44 H ALA 9 H ALA 9 3.609 7.190 6.029 45 HA ALA 9 HA ALA 9 0.958 6.783 5.576 46 HB1 ALA 9 1HB ALA 9 3.046 5.966 4.269 47 HB2 ALA 9 2HB ALA 9 2.831 4.483 5.199 48 HB3 ALA 9 3HB ALA 9 1.537 5.060 4.148 49 H THR 10 H THR 10 -0.331 4.741 5.835 50 HA THR 10 HA THR 10 0.035 3.629 8.541 51 HB THR 10 HB THR 10 -2.468 3.402 8.617 52 HG1 THR 10 1HG THR 10 -2.499 3.853 6.175 53 HG21 THR 10 1HG2 THR 10 -1.717 6.289 8.282 54 HG22 THR 10 2HG2 THR 10 -1.056 5.325 9.603 55 HG23 THR 10 3HG2 THR 10 -2.799 5.553 9.464 56 H PHE 11 H PHE 11 0.289 1.500 8.609 57 HA PHE 11 HA PHE 11 -0.787 -0.116 6.393 58 HB2 PHE 11 1HB PHE 11 1.152 -1.377 6.250 59 HB3 PHE 11 2HB PHE 11 1.802 0.220 6.605 60 HD1 PHE 11 1HD PHE 11 1.115 -3.116 7.965 61 HD2 PHE 11 2HD PHE 11 2.883 0.687 8.686 62 HE1 PHE 11 1HE PHE 11 2.276 -4.033 9.931 63 HE2 PHE 11 2HE PHE 11 4.048 -0.223 10.653 64 HZ PHE 11 HZ PHE 11 3.746 -2.586 11.277 65 H GLU 12 H GLU 12 -1.837 -1.982 6.907 66 HA GLU 12 HA GLU 12 -1.931 -2.758 9.742 67 HB2 GLU 12 1HB GLU 12 -3.938 -1.440 9.226 68 HB3 GLU 12 2HB GLU 12 -4.311 -2.522 7.892 69 HG2 GLU 12 1HG GLU 12 -5.707 -3.165 9.668 70 HG3 GLU 12 2HG GLU 12 -4.433 -4.382 9.583 71 H GLU 13 H GLU 13 -1.714 -4.880 10.103 72 HA GLU 13 HA GLU 13 -1.483 -6.641 7.789 73 HB2 GLU 13 1HB GLU 13 0.244 -6.471 9.693 74 HB3 GLU 13 2HB GLU 13 -0.906 -7.402 10.642 75 HG2 GLU 13 1HG GLU 13 0.502 -8.238 8.125 76 HG3 GLU 13 2HG GLU 13 0.675 -8.919 9.742 77 H VAL 14 H VAL 14 -3.099 -7.907 7.187 78 HA VAL 14 HA VAL 14 -5.073 -8.737 9.215 79 HB VAL 14 HB VAL 14 -5.580 -8.142 6.296 80 HG11 VAL 14 1HG1 VAL 14 -7.470 -9.299 6.443 81 HG12 VAL 14 2HG1 VAL 14 -6.949 -9.878 8.027 82 HG13 VAL 14 3HG1 VAL 14 -7.940 -8.425 7.900 83 HG21 VAL 14 1HG2 VAL 14 -6.790 -6.718 8.642 84 HG22 VAL 14 2HG2 VAL 14 -5.243 -6.214 7.962 85 HG23 VAL 14 3HG2 VAL 14 -6.693 -6.199 6.959 86 H SER 15 H SER 15 -4.826 -10.827 9.633 87 HA SER 15 HA SER 15 -3.786 -12.619 7.582 88 HB2 SER 15 1HB SER 15 -2.748 -12.856 9.733 89 HB3 SER 15 2HB SER 15 -4.312 -12.985 10.537 90 HG SER 15 HG SER 15 -4.621 -14.946 9.308 91 H VAL 16 H VAL 16 -5.065 -13.826 6.360 92 HA VAL 16 HA VAL 16 -7.636 -14.743 7.425 93 HB VAL 16 HB VAL 16 -8.687 -14.263 5.181 94 HG11 VAL 16 1HG1 VAL 16 -9.050 -12.916 7.256 95 HG12 VAL 16 2HG1 VAL 16 -7.805 -11.805 6.683 96 HG13 VAL 16 3HG1 VAL 16 -9.288 -12.024 5.754 97 HG21 VAL 16 1HG2 VAL 16 -6.792 -12.078 4.673 98 HG22 VAL 16 2HG2 VAL 16 -6.156 -13.696 4.373 99 HG23 VAL 16 3HG2 VAL 16 -7.615 -13.154 3.543 100 H LEU 17 H LEU 17 -8.573 -16.517 6.166 101 HA LEU 17 HA LEU 17 -6.570 -18.001 4.603 102 HB2 LEU 17 1HB LEU 17 -7.118 -18.728 7.080 103 HB3 LEU 17 2HB LEU 17 -8.515 -19.474 6.306 104 HG LEU 17 HG LEU 17 -5.680 -20.037 5.461 105 HD11 LEU 17 1HD1 LEU 17 -7.204 -21.023 7.768 106 HD12 LEU 17 2HD1 LEU 17 -5.466 -21.018 7.468 107 HD13 LEU 17 3HD1 LEU 17 -6.479 -22.275 6.759 108 HD21 LEU 17 1HD2 LEU 17 -7.962 -21.910 5.127 109 HD22 LEU 17 2HD2 LEU 17 -6.541 -21.663 4.112 110 HD23 LEU 17 3HD2 LEU 17 -7.874 -20.507 4.062 111 H GLY 18 H GLY 18 -7.291 -18.282 2.603 112 HA2 GLY 18 1HA GLY 18 -8.787 -19.324 1.069 113 HA3 GLY 18 2HA GLY 18 -10.094 -19.067 2.215 114 H PHE 19 H PHE 19 -10.832 -18.395 -0.151 115 HA PHE 19 HA PHE 19 -10.107 -15.692 -0.859 116 HB2 PHE 19 1HB PHE 19 -10.748 -17.559 -2.491 117 HB3 PHE 19 2HB PHE 19 -12.412 -17.266 -1.996 118 HD1 PHE 19 2HD PHE 19 -13.008 -14.626 -2.006 119 HD2 PHE 19 1HD PHE 19 -10.084 -16.550 -4.428 120 HE1 PHE 19 2HE PHE 19 -13.176 -12.803 -3.650 121 HE2 PHE 19 1HE PHE 19 -10.246 -14.730 -6.076 122 HZ PHE 19 HZ PHE 19 -11.795 -12.854 -5.689 123 H GLU 20 H GLU 20 -13.035 -17.332 0.322 124 HA GLU 20 HA GLU 20 -14.817 -15.284 0.447 125 HB2 GLU 20 1HB GLU 20 -14.327 -17.437 2.508 126 HB3 GLU 20 2HB GLU 20 -15.737 -16.387 2.509 127 HG2 GLU 20 1HG GLU 20 -14.973 -18.241 0.266 128 HG3 GLU 20 2HG GLU 20 -16.169 -18.594 1.512 129 H GLU 21 H GLU 21 -12.659 -16.128 3.164 130 HA GLU 21 HA GLU 21 -13.218 -13.885 4.723 131 HB2 GLU 21 1HB GLU 21 -10.966 -15.838 4.595 132 HB3 GLU 21 2HB GLU 21 -10.756 -14.386 5.563 133 HG2 GLU 21 1HG GLU 21 -13.175 -16.107 5.907 134 HG3 GLU 21 2HG GLU 21 -11.648 -16.528 6.681 135 H PHE 22 H PHE 22 -10.652 -14.405 2.328 136 HA PHE 22 HA PHE 22 -9.230 -12.061 2.631 137 HB2 PHE 22 1HB PHE 22 -8.284 -13.594 1.149 138 HB3 PHE 22 2HB PHE 22 -9.788 -13.812 0.260 139 HD1 PHE 22 2HD PHE 22 -7.944 -10.709 1.170 140 HD2 PHE 22 1HD PHE 22 -9.335 -13.266 -1.936 141 HE1 PHE 22 2HE PHE 22 -7.183 -9.079 -0.508 142 HE2 PHE 22 1HE PHE 22 -8.575 -11.640 -3.619 143 HZ PHE 22 HZ PHE 22 -7.499 -9.542 -2.906 144 H ASP 23 H ASP 23 -11.890 -12.604 0.317 145 HA ASP 23 HA ASP 23 -12.122 -10.085 -0.730 146 HB2 ASP 23 1HB ASP 23 -13.457 -11.943 -1.547 147 HB3 ASP 23 2HB ASP 23 -14.351 -12.006 -0.030 148 H LYS 24 H LYS 24 -13.993 -11.282 2.063 149 HA LYS 24 HA LYS 24 -15.323 -9.033 2.801 150 HB2 LYS 24 1HB LYS 24 -15.083 -11.418 3.930 151 HB3 LYS 24 2HB LYS 24 -13.967 -10.556 4.981 152 HG2 LYS 24 1HG LYS 24 -15.879 -10.274 6.167 153 HG3 LYS 24 2HG LYS 24 -15.987 -8.854 5.124 154 HD2 LYS 24 1HD LYS 24 -17.193 -11.454 4.261 155 HD3 LYS 24 2HD LYS 24 -18.053 -10.408 5.393 156 HE2 LYS 24 1HE LYS 24 -18.881 -9.598 3.428 157 HE3 LYS 24 2HE LYS 24 -17.458 -8.570 3.589 158 HZ1 LYS 24 1HZ LYS 24 -17.062 -9.283 1.512 159 HZ2 LYS 24 2HZ LYS 24 -18.014 -10.671 1.672 160 HZ3 LYS 24 3HZ LYS 24 -16.436 -10.654 2.280 161 H ALA 25 H ALA 25 -11.949 -9.798 3.563 162 HA ALA 25 HA ALA 25 -11.451 -7.524 5.158 163 HB1 ALA 25 1HB ALA 25 -9.297 -8.252 5.270 164 HB2 ALA 25 2HB ALA 25 -10.066 -9.741 4.717 165 HB3 ALA 25 3HB ALA 25 -9.239 -8.694 3.563 166 H VAL 26 H VAL 26 -11.254 -8.099 1.693 167 HA VAL 26 HA VAL 26 -9.949 -5.638 1.072 168 HB VAL 26 HB VAL 26 -11.568 -7.472 -0.701 169 HG11 VAL 26 1HG1 VAL 26 -11.240 -6.084 -2.413 170 HG12 VAL 26 2HG1 VAL 26 -10.785 -4.866 -1.219 171 HG13 VAL 26 3HG1 VAL 26 -9.543 -5.851 -1.994 172 HG21 VAL 26 1HG2 VAL 26 -9.206 -8.029 0.528 173 HG22 VAL 26 2HG2 VAL 26 -9.732 -8.733 -1.002 174 HG23 VAL 26 3HG2 VAL 26 -8.652 -7.338 -0.998 175 H LYS 27 H LYS 27 -13.309 -6.752 0.637 176 HA LYS 27 HA LYS 27 -14.383 -4.367 -0.300 177 HB2 LYS 27 1HB LYS 27 -15.512 -6.728 1.148 178 HB3 LYS 27 2HB LYS 27 -16.525 -5.308 0.916 179 HG2 LYS 27 1HG LYS 27 -15.094 -6.491 -1.418 180 HG3 LYS 27 2HG LYS 27 -16.569 -7.249 -0.814 181 HD2 LYS 27 1HD LYS 27 -17.797 -5.186 -1.125 182 HD3 LYS 27 2HD LYS 27 -16.321 -4.349 -1.615 183 HE2 LYS 27 1HE LYS 27 -17.334 -6.766 -3.082 184 HE3 LYS 27 2HE LYS 27 -17.916 -5.144 -3.455 185 HZ1 LYS 27 1HZ LYS 27 -15.023 -5.667 -3.376 186 HZ2 LYS 27 2HZ LYS 27 -15.875 -4.498 -4.251 187 HZ3 LYS 27 3HZ LYS 27 -15.912 -6.116 -4.743 188 H GLU 28 H GLU 28 -13.126 -5.063 2.766 189 HA GLU 28 HA GLU 28 -14.723 -3.062 4.150 190 HB2 GLU 28 1HB GLU 28 -12.744 -5.134 4.953 191 HB3 GLU 28 2HB GLU 28 -12.900 -3.719 5.985 192 HG2 GLU 28 1HG GLU 28 -15.434 -4.232 5.887 193 HG3 GLU 28 2HG GLU 28 -14.914 -5.832 5.361 194 H HIS 29 H HIS 29 -11.456 -3.516 2.925 195 HA HIS 29 HA HIS 29 -10.811 -0.752 3.702 196 HB2 HIS 29 1HB HIS 29 -8.800 -2.799 2.793 197 HB3 HIS 29 2HB HIS 29 -8.525 -1.330 3.724 198 HD1 HIS 29 1HD HIS 29 -9.934 -1.470 6.182 199 HD2 HIS 29 2HD HIS 29 -8.678 -4.985 4.358 200 HE1 HIS 29 1HE HIS 29 -9.900 -3.200 8.007 201 HE2 HIS 29 2HE HIS 29 -9.055 -5.297 6.898 202 H GLU 30 H GLU 30 -12.406 -1.581 1.369 203 HA GLU 30 HA GLU 30 -10.836 -1.378 -0.983 204 HB2 GLU 30 1HB GLU 30 -12.818 -1.494 -2.144 205 HB3 GLU 30 2HB GLU 30 -13.308 -2.200 -0.611 206 HG2 GLU 30 1HG GLU 30 -14.219 -0.037 0.086 207 HG3 GLU 30 2HG GLU 30 -13.749 0.652 -1.467 208 H SER 31 H SER 31 -11.576 0.890 1.348 209 HA SER 31 HA SER 31 -11.842 3.188 -0.363 210 HB2 SER 31 1HB SER 31 -11.610 2.756 2.596 211 HB3 SER 31 2HB SER 31 -11.375 4.372 1.930 212 HG SER 31 HG SER 31 -13.677 2.760 1.928 213 H LYS 32 H LYS 32 -9.255 1.510 1.269 214 HA LYS 32 HA LYS 32 -7.347 3.461 0.155 215 HB2 LYS 32 1HB LYS 32 -6.969 1.813 2.660 216 HB3 LYS 32 2HB LYS 32 -5.859 3.020 2.022 217 HG2 LYS 32 1HG LYS 32 -6.901 4.215 3.668 218 HG3 LYS 32 2HG LYS 32 -7.917 4.614 2.281 219 HD2 LYS 32 1HD LYS 32 -9.298 2.542 3.041 220 HD3 LYS 32 2HD LYS 32 -8.480 2.789 4.585 221 HE2 LYS 32 1HE LYS 32 -9.862 5.053 3.189 222 HE3 LYS 32 2HE LYS 32 -10.768 3.919 4.190 223 HZ1 LYS 32 1HZ LYS 32 -10.233 5.397 5.784 224 HZ2 LYS 32 2HZ LYS 32 -8.865 5.972 4.973 225 HZ3 LYS 32 3HZ LYS 32 -8.786 4.521 5.840 226 H THR 33 H THR 33 -5.157 2.515 -0.240 227 HA THR 33 HA THR 33 -5.251 0.430 -2.050 228 HB THR 33 HB THR 33 -2.925 1.452 -0.419 229 HG1 THR 33 1HG THR 33 -4.157 2.625 -2.268 230 HG21 THR 33 1HG2 THR 33 -1.498 0.308 -2.119 231 HG22 THR 33 2HG2 THR 33 -2.940 -0.525 -2.700 232 HG23 THR 33 3HG2 THR 33 -2.366 -0.798 -1.055 233 H ILE 34 H ILE 34 -5.157 -1.740 -1.948 234 HA ILE 34 HA ILE 34 -4.764 -2.961 0.707 235 HB ILE 34 HB ILE 34 -6.633 -3.791 -1.510 236 HG12 ILE 34 1HG1 ILE 34 -7.299 -3.333 1.388 237 HG13 ILE 34 2HG1 ILE 34 -7.235 -1.992 0.250 238 HG21 ILE 34 1HG2 ILE 34 -7.235 -5.639 0.168 239 HG22 ILE 34 2HG2 ILE 34 -5.774 -5.837 -0.798 240 HG23 ILE 34 3HG2 ILE 34 -5.656 -5.311 0.881 241 HD11 ILE 34 1HD1 ILE 34 -9.069 -2.747 -0.936 242 HD12 ILE 34 2HD1 ILE 34 -8.907 -4.397 -0.332 243 HD13 ILE 34 3HD1 ILE 34 -9.493 -3.122 0.735 244 H PHE 35 H PHE 35 -3.376 -4.641 0.881 245 HA PHE 35 HA PHE 35 -2.123 -5.621 -1.599 246 HB2 PHE 35 1HB PHE 35 -0.863 -4.876 1.034 247 HB3 PHE 35 2HB PHE 35 -0.054 -5.945 -0.108 248 HD1 PHE 35 2HD PHE 35 0.441 -5.083 -2.424 249 HD2 PHE 35 1HD PHE 35 -0.808 -2.554 0.764 250 HE1 PHE 35 2HE PHE 35 1.311 -3.128 -3.638 251 HE2 PHE 35 1HE PHE 35 0.059 -0.595 -0.446 252 HZ PHE 35 HZ PHE 35 1.122 -0.881 -2.649 253 H ALA 36 H ALA 36 -2.878 -7.620 -1.891 254 HA ALA 36 HA ALA 36 -3.310 -9.363 0.417 255 HB1 ALA 36 1HB ALA 36 -4.344 -9.249 -2.346 256 HB2 ALA 36 2HB ALA 36 -4.138 -10.857 -1.650 257 HB3 ALA 36 3HB ALA 36 -5.162 -9.671 -0.841 258 H TYR 37 H TYR 37 -1.743 -10.685 1.035 259 HA TYR 37 HA TYR 37 0.312 -11.470 -0.906 260 HB2 TYR 37 1HB TYR 37 1.072 -10.368 1.175 261 HB3 TYR 37 2HB TYR 37 0.348 -11.669 2.113 262 HD1 TYR 37 1HD TYR 37 2.599 -11.462 -0.873 263 HD2 TYR 37 2HD TYR 37 1.893 -13.137 2.974 264 HE1 TYR 37 1HE TYR 37 4.688 -12.748 -1.056 265 HE2 TYR 37 2HE TYR 37 3.981 -14.427 2.802 266 HH TYR 37 HH TYR 37 6.236 -13.932 0.174 267 H PHE 38 H PHE 38 -0.514 -13.221 -1.950 268 HA PHE 38 HA PHE 38 -1.840 -15.345 -0.522 269 HB2 PHE 38 1HB PHE 38 -0.878 -15.422 -3.381 270 HB3 PHE 38 2HB PHE 38 -2.177 -16.361 -2.651 271 HD1 PHE 38 1HD PHE 38 -4.168 -14.973 -1.695 272 HD2 PHE 38 2HD PHE 38 -1.394 -13.527 -4.581 273 HE1 PHE 38 1HE PHE 38 -5.798 -13.273 -2.405 274 HE2 PHE 38 2HE PHE 38 -3.019 -11.823 -5.295 275 HZ PHE 38 HZ PHE 38 -5.225 -11.694 -4.206 276 H SER 39 H SER 39 -0.564 -16.498 0.805 277 HA SER 39 HA SER 39 1.751 -17.846 -0.397 278 HB2 SER 39 1HB SER 39 2.933 -16.298 0.855 279 HB3 SER 39 2HB SER 39 1.688 -16.196 2.099 280 HG SER 39 HG SER 39 3.586 -17.339 2.774 281 H GLY 40 H GLY 40 1.931 -19.970 0.087 282 HA2 GLY 40 1HA GLY 40 -0.097 -21.561 0.838 283 HA3 GLY 40 2HA GLY 40 1.572 -21.978 1.194 284 H SER 41 H SER 41 -0.769 -22.670 2.725 285 HA SER 41 HA SER 41 -1.267 -21.096 4.939 286 HB2 SER 41 1HB SER 41 -1.918 -23.172 6.091 287 HB3 SER 41 2HB SER 41 -2.521 -23.149 4.434 288 HG SER 41 HG SER 41 -0.931 -24.946 5.601 289 H LYS 42 H LYS 42 -0.506 -21.255 7.142 290 HA LYS 42 HA LYS 42 2.396 -21.643 7.242 291 HB2 LYS 42 1HB LYS 42 0.538 -20.210 9.151 292 HB3 LYS 42 2HB LYS 42 2.286 -20.309 9.322 293 HG2 LYS 42 1HG LYS 42 2.506 -19.139 7.141 294 HG3 LYS 42 2HG LYS 42 0.753 -18.932 7.128 295 HD2 LYS 42 1HD LYS 42 2.268 -18.047 9.533 296 HD3 LYS 42 2HD LYS 42 2.358 -17.059 8.074 297 HE2 LYS 42 1HE LYS 42 -0.242 -17.313 8.097 298 HE3 LYS 42 2HE LYS 42 0.004 -17.693 9.801 299 HZ1 LYS 42 1HZ LYS 42 -0.168 -15.191 8.684 300 HZ2 LYS 42 2HZ LYS 42 1.475 -15.383 9.034 301 HZ3 LYS 42 3HZ LYS 42 0.323 -15.561 10.260 302 H ASP 43 H ASP 43 3.355 -22.635 9.140 303 HA ASP 43 HA ASP 43 1.735 -24.889 10.080 304 HB2 ASP 43 1HB ASP 43 4.663 -24.420 9.719 305 HB3 ASP 43 2HB ASP 43 4.142 -25.583 10.935 306 H THR 44 H THR 44 2.560 -25.666 12.369 307 HA THR 44 HA THR 44 1.545 -23.943 14.271 308 HB THR 44 HB THR 44 1.902 -26.378 14.621 309 HG1 THR 44 1HG THR 44 3.174 -24.830 16.644 310 HG21 THR 44 1HG2 THR 44 4.763 -25.636 15.227 311 HG22 THR 44 2HG2 THR 44 4.244 -26.392 13.720 312 HG23 THR 44 3HG2 THR 44 4.041 -27.245 15.250 313 H GLU 45 H GLU 45 4.860 -24.286 13.138 314 HA GLU 45 HA GLU 45 5.982 -22.561 15.126 315 HB2 GLU 45 1HB GLU 45 7.100 -24.394 13.582 316 HB3 GLU 45 2HB GLU 45 7.330 -23.026 12.503 317 HG2 GLU 45 1HG GLU 45 9.256 -23.536 14.010 318 HG3 GLU 45 2HG GLU 45 8.659 -21.879 14.086 319 H GLY 46 H GLY 46 4.298 -22.075 12.190 320 HA2 GLY 46 1HA GLY 46 3.441 -19.933 11.597 321 HA3 GLY 46 2HA GLY 46 4.822 -19.193 12.394 322 H LYS 47 H LYS 47 5.305 -21.898 10.279 323 HA LYS 47 HA LYS 47 6.397 -20.067 8.243 324 HB2 LYS 47 1HB LYS 47 8.071 -21.795 7.735 325 HB3 LYS 47 2HB LYS 47 8.185 -21.250 9.403 326 HG2 LYS 47 1HG LYS 47 7.186 -23.234 10.218 327 HG3 LYS 47 2HG LYS 47 6.698 -23.734 8.597 328 HD2 LYS 47 1HD LYS 47 8.581 -25.042 9.047 329 HD3 LYS 47 2HD LYS 47 9.209 -23.724 8.055 330 HE2 LYS 47 1HE LYS 47 9.864 -22.550 10.152 331 HE3 LYS 47 2HE LYS 47 9.371 -23.982 11.055 332 HZ1 LYS 47 1HZ LYS 47 11.814 -23.486 9.761 333 HZ2 LYS 47 2HZ LYS 47 11.080 -24.817 9.019 334 HZ3 LYS 47 3HZ LYS 47 11.366 -24.830 10.686 335 H SER 48 H SER 48 6.037 -20.534 6.091 336 HA SER 48 HA SER 48 3.753 -22.238 5.567 337 HB2 SER 48 1HB SER 48 3.822 -20.030 4.529 338 HB3 SER 48 2HB SER 48 5.347 -20.427 3.737 339 HG SER 48 HG SER 48 3.879 -20.872 2.214 340 H TRP 49 H TRP 49 3.774 -24.168 4.575 341 HA TRP 49 HA TRP 49 5.818 -25.899 4.539 342 HB2 TRP 49 1HB TRP 49 4.695 -26.970 2.486 343 HB3 TRP 49 2HB TRP 49 3.718 -26.764 3.938 344 HD1 TRP 49 HD TRP 49 1.670 -25.097 3.815 345 HE1 TRP 49 1HE TRP 49 0.489 -23.915 1.857 346 HE3 TRP 49 3HE TRP 49 5.166 -25.879 0.167 347 HZ2 TRP 49 2HZ TRP 49 0.975 -23.386 -0.873 348 HZ3 TRP 49 3HZ TRP 49 4.731 -25.003 -2.091 349 HH2 TRP 49 HH TRP 49 2.678 -23.783 -2.598 350 H CYS 50 H CYS 50 5.330 -23.327 2.233 351 HA CYS 50 HA CYS 50 7.502 -24.263 0.537 352 HB2 CYS 50 1HB CYS 50 5.248 -23.052 -0.164 353 HB3 CYS 50 2HB CYS 50 6.202 -21.606 0.141 354 HG CYS 50 HG CYS 50 6.831 -24.040 -2.174 355 HA PRO 51 HA PRO 51 10.560 -21.910 2.685 356 HB2 PRO 51 1HB PRO 51 12.492 -22.000 0.780 357 HB3 PRO 51 2HB PRO 51 12.083 -23.384 1.799 358 HG2 PRO 51 1HG PRO 51 11.232 -22.781 -1.007 359 HG3 PRO 51 2HG PRO 51 11.762 -24.321 -0.305 360 HD2 PRO 51 1HD PRO 51 9.151 -23.726 -0.708 361 HD3 PRO 51 2HD PRO 51 9.701 -24.745 0.637 362 H ASP 52 H ASP 52 10.092 -21.173 -0.773 363 HA ASP 52 HA ASP 52 11.199 -18.654 -0.861 364 HB2 ASP 52 1HB ASP 52 9.327 -18.242 -2.644 365 HB3 ASP 52 2HB ASP 52 10.564 -19.461 -2.940 366 H CYS 53 H CYS 53 8.060 -19.631 0.364 367 HA CYS 53 HA CYS 53 7.023 -16.989 0.645 368 HB2 CYS 53 1HB CYS 53 6.206 -19.613 1.905 369 HB3 CYS 53 2HB CYS 53 5.314 -18.109 2.103 370 HG CYS 53 HG CYS 53 3.760 -18.775 0.163 371 H VAL 54 H VAL 54 8.724 -19.228 2.773 372 HA VAL 54 HA VAL 54 8.474 -17.567 5.097 373 HB VAL 54 HB VAL 54 10.273 -19.925 4.528 374 HG11 VAL 54 1HG1 VAL 54 11.469 -19.096 6.248 375 HG12 VAL 54 2HG1 VAL 54 10.153 -18.059 6.801 376 HG13 VAL 54 3HG1 VAL 54 10.165 -19.772 7.223 377 HG21 VAL 54 1HG2 VAL 54 8.091 -20.033 6.521 378 HG22 VAL 54 2HG2 VAL 54 7.612 -19.981 4.824 379 HG23 VAL 54 3HG2 VAL 54 8.670 -21.268 5.403 380 H GLU 55 H GLU 55 10.450 -17.505 2.348 381 HA GLU 55 HA GLU 55 12.641 -16.124 3.699 382 HB2 GLU 55 1HB GLU 55 13.326 -17.758 2.074 383 HB3 GLU 55 2HB GLU 55 12.278 -17.055 0.850 384 HG2 GLU 55 1HG GLU 55 14.271 -16.188 0.197 385 HG3 GLU 55 2HG GLU 55 13.744 -14.919 1.300 386 H ALA 56 H ALA 56 10.168 -15.556 1.233 387 HA ALA 56 HA ALA 56 10.931 -12.802 0.866 388 HB1 ALA 56 1HB ALA 56 9.013 -14.666 -0.340 389 HB2 ALA 56 2HB ALA 56 8.475 -12.987 -0.275 390 HB3 ALA 56 3HB ALA 56 9.988 -13.397 -1.082 391 H GLU 57 H GLU 57 9.027 -14.517 3.093 392 HA GLU 57 HA GLU 57 6.957 -12.753 3.674 393 HB2 GLU 57 1HB GLU 57 8.385 -14.894 5.127 394 HB3 GLU 57 2HB GLU 57 7.532 -13.732 6.133 395 HG2 GLU 57 1HG GLU 57 5.471 -14.355 5.354 396 HG3 GLU 57 2HG GLU 57 6.109 -14.944 3.820 397 HA PRO 58 HA PRO 58 9.862 -10.584 6.872 398 HB2 PRO 58 1HB PRO 58 12.511 -11.163 6.733 399 HB3 PRO 58 2HB PRO 58 11.379 -12.076 7.738 400 HG2 PRO 58 1HG PRO 58 12.469 -12.740 5.030 401 HG3 PRO 58 2HG PRO 58 12.245 -13.797 6.436 402 HD2 PRO 58 1HD PRO 58 10.512 -13.753 4.356 403 HD3 PRO 58 2HD PRO 58 9.996 -14.081 6.023 404 H VAL 59 H VAL 59 10.452 -11.040 3.563 405 HA VAL 59 HA VAL 59 12.103 -8.653 3.283 406 HB VAL 59 HB VAL 59 11.085 -10.623 1.233 407 HG11 VAL 59 1HG1 VAL 59 11.383 -8.979 -0.249 408 HG12 VAL 59 2HG1 VAL 59 12.203 -7.951 0.928 409 HG13 VAL 59 3HG1 VAL 59 13.108 -9.185 0.051 410 HG21 VAL 59 1HG2 VAL 59 12.795 -11.799 2.108 411 HG22 VAL 59 2HG2 VAL 59 13.789 -10.718 1.132 412 HG23 VAL 59 3HG2 VAL 59 13.534 -10.377 2.843 413 H ILE 60 H ILE 60 8.836 -9.771 2.657 414 HA ILE 60 HA ILE 60 8.057 -7.431 1.189 415 HB ILE 60 HB ILE 60 6.424 -9.638 2.442 416 HG12 ILE 60 1HG1 ILE 60 7.239 -9.023 -0.404 417 HG13 ILE 60 2HG1 ILE 60 7.748 -10.399 0.569 418 HG21 ILE 60 1HG2 ILE 60 4.593 -8.420 2.153 419 HG22 ILE 60 2HG2 ILE 60 5.578 -7.063 1.608 420 HG23 ILE 60 3HG2 ILE 60 4.976 -8.241 0.441 421 HD11 ILE 60 1HD1 ILE 60 6.137 -11.462 -0.564 422 HD12 ILE 60 2HD1 ILE 60 5.070 -10.714 0.625 423 HD13 ILE 60 3HD1 ILE 60 5.284 -9.970 -0.959 424 H ARG 61 H ARG 61 7.754 -8.556 4.520 425 HA ARG 61 HA ARG 61 6.129 -6.346 5.352 426 HB2 ARG 61 1HB ARG 61 7.547 -8.583 6.757 427 HB3 ARG 61 2HB ARG 61 6.908 -7.232 7.684 428 HG2 ARG 61 1HG ARG 61 4.718 -7.759 6.333 429 HG3 ARG 61 2HG ARG 61 5.468 -9.349 6.176 430 HD2 ARG 61 1HD ARG 61 4.320 -9.654 8.125 431 HD3 ARG 61 2HD ARG 61 5.843 -9.041 8.769 432 HE ARG 61 HE ARG 61 4.651 -7.306 9.622 433 HH11 ARG 61 2HH1 ARG 61 3.009 -8.452 6.774 434 HH12 ARG 61 1HH1 ARG 61 1.708 -7.316 6.908 435 HH21 ARG 61 2HH2 ARG 61 2.944 -5.805 9.809 436 HH22 ARG 61 1HH2 ARG 61 1.673 -5.810 8.634 437 H GLU 62 H GLU 62 9.506 -6.918 4.978 438 HA GLU 62 HA GLU 62 10.503 -5.039 6.834 439 HB2 GLU 62 1HB GLU 62 11.580 -6.480 4.468 440 HB3 GLU 62 2HB GLU 62 12.450 -5.046 4.998 441 HG2 GLU 62 1HG GLU 62 11.717 -7.135 6.992 442 HG3 GLU 62 2HG GLU 62 13.087 -7.399 5.915 443 H GLY 63 H GLY 63 9.441 -4.768 3.487 444 HA2 GLY 63 1HA GLY 63 10.210 -1.956 3.384 445 HA3 GLY 63 2HA GLY 63 9.541 -2.902 2.063 446 H LEU 64 H LEU 64 7.343 -3.909 3.773 447 HA LEU 64 HA LEU 64 5.339 -2.152 3.078 448 HB2 LEU 64 1HB LEU 64 5.588 -4.351 5.052 449 HB3 LEU 64 2HB LEU 64 4.193 -3.283 5.201 450 HG LEU 64 HG LEU 64 4.895 -4.804 2.694 451 HD11 LEU 64 1HD1 LEU 64 3.570 -6.543 3.332 452 HD12 LEU 64 2HD1 LEU 64 2.592 -5.550 4.412 453 HD13 LEU 64 3HD1 LEU 64 4.201 -6.071 4.910 454 HD21 LEU 64 1HD2 LEU 64 3.523 -2.711 2.494 455 HD22 LEU 64 2HD2 LEU 64 2.303 -3.497 3.497 456 HD23 LEU 64 3HD2 LEU 64 2.731 -4.182 1.928 457 H LYS 65 H LYS 65 7.273 -2.233 6.019 458 HA LYS 65 HA LYS 65 5.790 -0.316 7.472 459 HB2 LYS 65 1HB LYS 65 8.700 -1.111 7.663 460 HB3 LYS 65 2HB LYS 65 7.873 -0.086 8.829 461 HG2 LYS 65 1HG LYS 65 6.569 -1.829 9.630 462 HG3 LYS 65 2HG LYS 65 6.827 -2.814 8.188 463 HD2 LYS 65 1HD LYS 65 9.041 -2.086 10.094 464 HD3 LYS 65 2HD LYS 65 8.064 -3.545 10.270 465 HE2 LYS 65 1HE LYS 65 8.987 -4.548 8.441 466 HE3 LYS 65 2HE LYS 65 9.286 -3.018 7.618 467 HZ1 LYS 65 1HZ LYS 65 11.185 -4.497 8.783 468 HZ2 LYS 65 2HZ LYS 65 10.819 -3.424 10.038 469 HZ3 LYS 65 3HZ LYS 65 11.309 -2.829 8.532 470 H HIS 66 H HIS 66 8.306 -0.062 5.057 471 HA HIS 66 HA HIS 66 8.593 2.803 5.477 472 HB2 HIS 66 1HB HIS 66 9.867 1.116 3.320 473 HB3 HIS 66 2HB HIS 66 10.372 2.711 3.871 474 HD1 HIS 66 1HD HIS 66 12.464 2.515 5.153 475 HD2 HIS 66 2HD HIS 66 9.931 -0.702 5.855 476 HE1 HIS 66 1HE HIS 66 13.657 1.075 6.835 477 HE2 HIS 66 2HE HIS 66 12.143 -0.908 7.180 478 H VAL 67 H VAL 67 6.128 1.336 4.371 479 HA VAL 67 HA VAL 67 5.808 2.089 1.668 480 HB VAL 67 HB VAL 67 4.393 0.406 2.849 481 HG11 VAL 67 1HG1 VAL 67 2.646 1.044 4.306 482 HG12 VAL 67 2HG1 VAL 67 4.089 1.875 4.890 483 HG13 VAL 67 3HG1 VAL 67 2.879 2.756 3.957 484 HG21 VAL 67 1HG2 VAL 67 2.267 2.079 1.903 485 HG22 VAL 67 2HG2 VAL 67 3.679 2.263 0.863 486 HG23 VAL 67 3HG2 VAL 67 2.993 0.663 1.143 487 H THR 68 H THR 68 4.915 3.876 0.717 488 HA THR 68 HA THR 68 4.528 6.208 2.475 489 HB THR 68 HB THR 68 5.230 7.633 0.692 490 HG1 THR 68 1HG THR 68 4.225 6.344 -1.004 491 HG21 THR 68 1HG2 THR 68 7.407 6.058 0.001 492 HG22 THR 68 2HG2 THR 68 6.901 5.428 1.569 493 HG23 THR 68 3HG2 THR 68 7.295 7.137 1.391 494 H GLU 69 H GLU 69 2.479 4.242 1.818 495 HA GLU 69 HA GLU 69 0.461 6.094 0.875 496 HB2 GLU 69 1HB GLU 69 -0.413 4.600 -0.847 497 HB3 GLU 69 2HB GLU 69 1.243 5.066 -1.210 498 HG2 GLU 69 1HG GLU 69 1.948 2.880 -0.154 499 HG3 GLU 69 2HG GLU 69 0.244 2.431 -0.178 500 H ASP 70 H ASP 70 -1.022 5.970 2.415 501 HA ASP 70 HA ASP 70 -1.309 4.052 4.350 502 HB2 ASP 70 1HB ASP 70 -3.809 4.858 4.334 503 HB3 ASP 70 2HB ASP 70 -2.522 5.970 4.791 504 H CYS 71 H CYS 71 -1.224 1.942 3.693 505 HA CYS 71 HA CYS 71 -3.528 0.991 2.123 506 HB2 CYS 71 1HB CYS 71 -2.141 -0.699 1.098 507 HB3 CYS 71 2HB CYS 71 -1.392 0.873 0.843 508 HG CYS 71 HG CYS 71 0.128 0.163 3.415 509 H VAL 72 H VAL 72 -3.821 -1.464 2.458 510 HA VAL 72 HA VAL 72 -3.361 -2.135 5.290 511 HB VAL 72 HB VAL 72 -5.896 -2.635 3.722 512 HG11 VAL 72 1HG1 VAL 72 -6.388 -4.231 5.182 513 HG12 VAL 72 2HG1 VAL 72 -4.801 -4.031 5.929 514 HG13 VAL 72 3HG1 VAL 72 -6.178 -3.097 6.516 515 HG21 VAL 72 1HG2 VAL 72 -6.176 -0.459 4.325 516 HG22 VAL 72 2HG2 VAL 72 -6.711 -1.220 5.824 517 HG23 VAL 72 3HG2 VAL 72 -5.072 -0.580 5.695 518 H PHE 73 H PHE 73 -1.870 -3.706 5.165 519 HA PHE 73 HA PHE 73 -1.666 -5.564 3.039 520 HB2 PHE 73 1HB PHE 73 0.195 -4.866 4.597 521 HB3 PHE 73 2HB PHE 73 -0.540 -5.892 5.823 522 HD1 PHE 73 2HD PHE 73 0.783 -6.001 2.348 523 HD2 PHE 73 1HD PHE 73 0.066 -8.116 5.972 524 HE1 PHE 73 2HE PHE 73 2.012 -7.937 1.457 525 HE2 PHE 73 1HE PHE 73 1.295 -10.055 5.087 526 HZ PHE 73 HZ PHE 73 2.269 -9.968 2.826 527 H ILE 74 H ILE 74 -2.197 -7.745 2.939 528 HA ILE 74 HA ILE 74 -3.854 -8.849 5.083 529 HB ILE 74 HB ILE 74 -4.731 -8.909 2.196 530 HG12 ILE 74 1HG1 ILE 74 -5.815 -7.278 4.504 531 HG13 ILE 74 2HG1 ILE 74 -4.926 -6.641 3.125 532 HG21 ILE 74 1HG2 ILE 74 -5.336 -10.818 3.764 533 HG22 ILE 74 2HG2 ILE 74 -6.332 -9.648 4.626 534 HG23 ILE 74 3HG2 ILE 74 -6.669 -10.015 2.935 535 HD11 ILE 74 1HD1 ILE 74 -7.058 -8.095 2.050 536 HD12 ILE 74 2HD1 ILE 74 -7.723 -7.169 3.396 537 HD13 ILE 74 3HD1 ILE 74 -6.858 -6.344 2.100 538 H TYR 75 H TYR 75 -2.736 -10.607 5.633 539 HA TYR 75 HA TYR 75 -1.225 -12.112 3.686 540 HB2 TYR 75 1HB TYR 75 -0.510 -11.671 6.092 541 HB3 TYR 75 2HB TYR 75 -1.710 -12.868 6.567 542 HD1 TYR 75 1HD TYR 75 -1.515 -15.159 5.188 543 HD2 TYR 75 2HD TYR 75 1.660 -12.399 5.829 544 HE1 TYR 75 1HE TYR 75 0.119 -16.957 4.801 545 HE2 TYR 75 2HE TYR 75 3.302 -14.189 5.442 546 HH TYR 75 HH TYR 75 2.994 -17.059 5.725 547 H CYS 76 H CYS 76 -2.694 -13.047 2.293 548 HA CYS 76 HA CYS 76 -4.771 -14.772 3.412 549 HB2 CYS 76 1HB CYS 76 -5.508 -13.310 1.640 550 HB3 CYS 76 2HB CYS 76 -4.210 -13.857 0.586 551 HG CYS 76 HG CYS 76 -5.265 -16.201 -0.110 552 H GLN 77 H GLN 77 -4.738 -16.950 3.303 553 HA GLN 77 HA GLN 77 -2.294 -18.182 2.249 554 HB2 GLN 77 1HB GLN 77 -4.359 -19.289 4.159 555 HB3 GLN 77 2HB GLN 77 -2.886 -20.110 3.661 556 HG2 GLN 77 1HG GLN 77 -1.546 -18.796 4.952 557 HG3 GLN 77 2HG GLN 77 -2.639 -17.415 4.876 558 HE21 GLN 77 1HE2 GLN 77 -3.867 -17.022 6.582 559 HE22 GLN 77 2HE2 GLN 77 -4.160 -18.114 7.888 560 H VAL 78 H VAL 78 -2.351 -19.331 0.439 561 HA VAL 78 HA VAL 78 -4.686 -19.646 -1.099 562 HB VAL 78 HB VAL 78 -3.315 -21.133 -2.539 563 HG11 VAL 78 1HG1 VAL 78 -3.160 -18.879 -3.111 564 HG12 VAL 78 2HG1 VAL 78 -2.254 -18.472 -1.653 565 HG13 VAL 78 3HG1 VAL 78 -1.477 -19.381 -2.950 566 HG21 VAL 78 1HG2 VAL 78 -2.022 -22.066 -0.553 567 HG22 VAL 78 2HG2 VAL 78 -1.099 -21.722 -2.016 568 HG23 VAL 78 3HG2 VAL 78 -1.036 -20.607 -0.652 569 H GLY 79 H GLY 79 -3.028 -21.787 1.144 570 HA2 GLY 79 1HA GLY 79 -4.869 -23.285 2.196 571 HA3 GLY 79 2HA GLY 79 -4.964 -23.918 0.559 572 H ASP 80 H ASP 80 -4.207 -25.946 0.803 573 HA ASP 80 HA ASP 80 -1.843 -26.465 2.397 574 HB2 ASP 80 1HB ASP 80 -3.226 -28.483 0.646 575 HB3 ASP 80 2HB ASP 80 -2.324 -28.750 2.136 576 H LYS 81 H LYS 81 -0.060 -27.787 1.477 577 HA LYS 81 HA LYS 81 1.218 -26.479 -0.613 578 HB2 LYS 81 1HB LYS 81 2.735 -27.654 0.621 579 HB3 LYS 81 2HB LYS 81 1.643 -29.011 0.869 580 HG2 LYS 81 1HG LYS 81 2.128 -29.906 -1.272 581 HG3 LYS 81 2HG LYS 81 2.983 -28.441 -1.761 582 HD2 LYS 81 1HD LYS 81 4.764 -29.771 -1.220 583 HD3 LYS 81 2HD LYS 81 4.462 -29.022 0.350 584 HE2 LYS 81 1HE LYS 81 4.570 -31.206 0.994 585 HE3 LYS 81 2HE LYS 81 2.849 -31.101 0.623 586 HZ1 LYS 81 1HZ LYS 81 3.306 -32.900 -0.617 587 HZ2 LYS 81 2HZ LYS 81 4.954 -32.547 -0.751 588 HZ3 LYS 81 3HZ LYS 81 3.839 -31.769 -1.757 589 HA PRO 82 HA PRO 82 -0.030 -30.110 -3.546 590 HB2 PRO 82 1HB PRO 82 -1.895 -31.861 -2.637 591 HB3 PRO 82 2HB PRO 82 -0.160 -32.088 -2.383 592 HG2 PRO 82 1HG PRO 82 -2.223 -31.000 -0.506 593 HG3 PRO 82 2HG PRO 82 -0.902 -32.137 -0.180 594 HD2 PRO 82 1HD PRO 82 -0.747 -29.507 0.444 595 HD3 PRO 82 2HD PRO 82 0.673 -30.461 -0.031 596 H TYR 83 H TYR 83 -2.167 -28.277 -1.619 597 HA TYR 83 HA TYR 83 -4.460 -28.560 -3.355 598 HB2 TYR 83 1HB TYR 83 -5.019 -28.193 -1.091 599 HB3 TYR 83 2HB TYR 83 -3.865 -26.874 -0.932 600 HD1 TYR 83 2HD TYR 83 -4.350 -24.689 -2.089 601 HD2 TYR 83 1HD TYR 83 -7.246 -27.789 -1.766 602 HE1 TYR 83 2HE TYR 83 -6.133 -23.066 -2.572 603 HE2 TYR 83 1HE TYR 83 -9.037 -26.175 -2.250 604 HH TYR 83 HH TYR 83 -9.010 -23.235 -1.890 605 H TRP 84 H TRP 84 -1.883 -26.233 -2.788 606 HA TRP 84 HA TRP 84 -2.844 -24.073 -4.246 607 HB2 TRP 84 1HB TRP 84 -0.899 -23.671 -3.001 608 HB3 TRP 84 2HB TRP 84 -0.070 -25.075 -3.668 609 HD1 TRP 84 HD TRP 84 1.964 -24.096 -4.893 610 HE1 TRP 84 1HE TRP 84 2.328 -22.285 -6.686 611 HE3 TRP 84 3HE TRP 84 -2.788 -22.226 -5.132 612 HZ2 TRP 84 2HZ TRP 84 0.802 -20.323 -8.023 613 HZ3 TRP 84 3HZ TRP 84 -3.252 -20.382 -6.694 614 HH2 TRP 84 HH TRP 84 -1.493 -19.451 -8.108 615 H LYS 85 H LYS 85 -0.988 -26.883 -5.361 616 HA LYS 85 HA LYS 85 -0.534 -26.185 -7.982 617 HB2 LYS 85 1HB LYS 85 -1.297 -28.915 -6.929 618 HB3 LYS 85 2HB LYS 85 -0.535 -28.602 -8.483 619 HG2 LYS 85 1HG LYS 85 1.466 -27.845 -7.437 620 HG3 LYS 85 2HG LYS 85 0.705 -27.862 -5.844 621 HD2 LYS 85 1HD LYS 85 0.414 -30.320 -6.073 622 HD3 LYS 85 2HD LYS 85 1.316 -30.247 -7.589 623 HE2 LYS 85 1HE LYS 85 2.527 -29.066 -5.137 624 HE3 LYS 85 2HE LYS 85 2.509 -30.820 -5.311 625 HZ1 LYS 85 1HZ LYS 85 3.831 -30.722 -7.201 626 HZ2 LYS 85 2HZ LYS 85 4.518 -29.550 -6.194 627 HZ3 LYS 85 3HZ LYS 85 3.518 -29.083 -7.475 628 H ASP 86 H ASP 86 -3.482 -27.500 -6.551 629 HA ASP 86 HA ASP 86 -5.041 -28.201 -8.612 630 HB2 ASP 86 1HB ASP 86 -6.002 -26.254 -6.508 631 HB3 ASP 86 2HB ASP 86 -6.973 -27.425 -7.397 632 HA PRO 87 HA PRO 87 -4.562 -24.520 -11.209 633 HB2 PRO 87 1HB PRO 87 -5.312 -25.780 -13.494 634 HB3 PRO 87 2HB PRO 87 -3.677 -25.887 -12.830 635 HG2 PRO 87 1HG PRO 87 -5.941 -27.833 -12.611 636 HG3 PRO 87 2HG PRO 87 -4.224 -28.145 -12.925 637 HD2 PRO 87 1HD PRO 87 -5.342 -28.477 -10.481 638 HD3 PRO 87 2HD PRO 87 -3.655 -27.968 -10.698 639 H ASN 88 H ASN 88 -7.226 -26.306 -10.198 640 HA ASN 88 HA ASN 88 -9.109 -24.604 -11.683 641 HB2 ASN 88 1HB ASN 88 -9.896 -27.021 -10.073 642 HB3 ASN 88 2HB ASN 88 -10.758 -26.257 -11.406 643 HD21 ASN 88 1HD2 ASN 88 -9.033 -26.082 -13.387 644 HD22 ASN 88 2HD2 ASN 88 -8.419 -27.631 -13.844 645 H ASN 89 H ASN 89 -7.563 -23.731 -9.367 646 HA ASN 89 HA ASN 89 -9.497 -23.590 -7.201 647 HB2 ASN 89 1HB ASN 89 -6.619 -22.891 -7.539 648 HB3 ASN 89 2HB ASN 89 -7.534 -22.018 -6.313 649 HD21 ASN 89 1HD2 ASN 89 -5.398 -23.662 -5.695 650 HD22 ASN 89 2HD2 ASN 89 -5.978 -25.031 -4.815 651 H ASP 90 H ASP 90 -10.109 -21.521 -6.258 652 HA ASP 90 HA ASP 90 -11.117 -19.728 -8.206 653 HB2 ASP 90 1HB ASP 90 -10.965 -19.577 -5.195 654 HB3 ASP 90 2HB ASP 90 -11.738 -18.336 -6.177 655 H PHE 91 H PHE 91 -8.146 -19.897 -6.499 656 HA PHE 91 HA PHE 91 -7.465 -17.132 -6.606 657 HB2 PHE 91 1HB PHE 91 -5.772 -19.612 -6.268 658 HB3 PHE 91 2HB PHE 91 -5.136 -17.974 -6.164 659 HD1 PHE 91 2HD PHE 91 -5.912 -16.471 -4.343 660 HD2 PHE 91 1HD PHE 91 -6.927 -20.602 -4.465 661 HE1 PHE 91 2HE PHE 91 -6.512 -16.390 -1.959 662 HE2 PHE 91 1HE PHE 91 -7.530 -20.528 -2.081 663 HZ PHE 91 HZ PHE 91 -7.321 -18.420 -0.824 664 H ARG 92 H ARG 92 -6.562 -19.944 -8.586 665 HA ARG 92 HA ARG 92 -5.154 -18.288 -10.486 666 HB2 ARG 92 1HB ARG 92 -5.904 -21.190 -10.819 667 HB3 ARG 92 2HB ARG 92 -4.601 -20.315 -11.612 668 HG2 ARG 92 1HG ARG 92 -3.271 -20.314 -9.710 669 HG3 ARG 92 2HG ARG 92 -4.637 -20.633 -8.639 670 HD2 ARG 92 1HD ARG 92 -4.645 -22.875 -9.090 671 HD3 ARG 92 2HD ARG 92 -3.980 -22.661 -10.709 672 HE ARG 92 HE ARG 92 -2.520 -23.206 -8.354 673 HH11 ARG 92 2HH1 ARG 92 -2.382 -21.309 -11.270 674 HH12 ARG 92 1HH1 ARG 92 -0.650 -21.273 -11.320 675 HH21 ARG 92 2HH2 ARG 92 -0.240 -23.167 -8.409 676 HH22 ARG 92 1HH2 ARG 92 0.567 -22.331 -9.693 677 H GLN 93 H GLN 93 -8.362 -19.196 -9.976 678 HA GLN 93 HA GLN 93 -9.094 -18.981 -12.797 679 HB2 GLN 93 1HB GLN 93 -10.768 -19.623 -10.362 680 HB3 GLN 93 2HB GLN 93 -11.365 -19.593 -12.016 681 HG2 GLN 93 1HG GLN 93 -9.037 -21.327 -11.398 682 HG3 GLN 93 2HG GLN 93 -10.632 -21.832 -10.841 683 HE21 GLN 93 1HE2 GLN 93 -8.515 -21.543 -13.497 684 HE22 GLN 93 2HE2 GLN 93 -9.572 -22.176 -14.708 685 H LYS 94 H LYS 94 -9.443 -17.295 -9.736 686 HA LYS 94 HA LYS 94 -10.913 -15.140 -11.088 687 HB2 LYS 94 1HB LYS 94 -10.481 -15.549 -8.124 688 HB3 LYS 94 2HB LYS 94 -11.542 -14.366 -8.876 689 HG2 LYS 94 1HG LYS 94 -11.981 -17.241 -9.485 690 HG3 LYS 94 2HG LYS 94 -12.467 -16.626 -7.903 691 HD2 LYS 94 1HD LYS 94 -13.798 -14.877 -9.022 692 HD3 LYS 94 2HD LYS 94 -13.348 -15.560 -10.587 693 HE2 LYS 94 1HE LYS 94 -14.344 -17.745 -9.726 694 HE3 LYS 94 2HE LYS 94 -15.049 -16.781 -8.430 695 HZ1 LYS 94 1HZ LYS 94 -16.678 -16.204 -9.789 696 HZ2 LYS 94 2HZ LYS 94 -16.010 -17.143 -11.027 697 HZ3 LYS 94 3HZ LYS 94 -15.578 -15.514 -10.873 698 H LEU 95 H LEU 95 -8.289 -15.560 -8.709 699 HA LEU 95 HA LEU 95 -7.308 -12.888 -9.218 700 HB2 LEU 95 1HB LEU 95 -6.158 -15.104 -7.529 701 HB3 LEU 95 2HB LEU 95 -5.599 -13.433 -7.555 702 HG LEU 95 HG LEU 95 -8.342 -14.303 -6.649 703 HD11 LEU 95 1HD1 LEU 95 -6.762 -13.239 -4.548 704 HD12 LEU 95 2HD1 LEU 95 -5.846 -14.532 -5.322 705 HD13 LEU 95 3HD1 LEU 95 -7.462 -14.852 -4.693 706 HD21 LEU 95 1HD2 LEU 95 -6.984 -11.703 -7.013 707 HD22 LEU 95 2HD2 LEU 95 -7.927 -11.902 -5.535 708 HD23 LEU 95 3HD2 LEU 95 -8.696 -12.116 -7.109 709 H LYS 96 H LYS 96 -7.029 -15.767 -10.798 710 HA LYS 96 HA LYS 96 -5.446 -16.746 -12.153 711 HB2 LYS 96 1HB LYS 96 -5.430 -13.824 -12.880 712 HB3 LYS 96 2HB LYS 96 -4.505 -15.009 -13.793 713 HG2 LYS 96 1HG LYS 96 -6.539 -14.703 -14.947 714 HG3 LYS 96 2HG LYS 96 -6.655 -16.266 -14.135 715 HD2 LYS 96 1HD LYS 96 -8.209 -15.513 -12.615 716 HD3 LYS 96 2HD LYS 96 -7.672 -13.836 -12.737 717 HE2 LYS 96 1HE LYS 96 -8.972 -15.219 -15.057 718 HE3 LYS 96 2HE LYS 96 -9.941 -14.495 -13.775 719 HZ1 LYS 96 1HZ LYS 96 -9.547 -13.005 -15.686 720 HZ2 LYS 96 2HZ LYS 96 -7.891 -13.031 -15.345 721 HZ3 LYS 96 3HZ LYS 96 -8.974 -12.371 -14.226 722 H ILE 97 H ILE 97 -4.334 -16.506 -9.673 723 HA ILE 97 HA ILE 97 -1.945 -15.069 -9.486 724 HB ILE 97 HB ILE 97 -2.547 -17.746 -8.223 725 HG12 ILE 97 1HG1 ILE 97 -4.305 -16.128 -7.721 726 HG13 ILE 97 2HG1 ILE 97 -3.324 -16.423 -6.290 727 HG21 ILE 97 1HG2 ILE 97 -0.958 -15.960 -6.638 728 HG22 ILE 97 2HG2 ILE 97 -0.585 -17.590 -7.196 729 HG23 ILE 97 3HG2 ILE 97 -0.207 -16.201 -8.215 730 HD11 ILE 97 1HD1 ILE 97 -3.587 -13.981 -7.945 731 HD12 ILE 97 2HD1 ILE 97 -3.477 -14.162 -6.194 732 HD13 ILE 97 3HD1 ILE 97 -2.027 -14.306 -7.189 733 H THR 98 H THR 98 0.061 -15.366 -10.251 734 HA THR 98 HA THR 98 0.495 -17.363 -12.273 735 HB THR 98 HB THR 98 2.414 -15.336 -11.106 736 HG1 THR 98 1HG THR 98 0.627 -15.311 -13.303 737 HG21 THR 98 1HG2 THR 98 2.619 -17.198 -13.464 738 HG22 THR 98 2HG2 THR 98 3.728 -17.033 -12.103 739 HG23 THR 98 3HG2 THR 98 3.613 -15.750 -13.307 740 H ALA 99 H ALA 99 2.355 -16.527 -9.341 741 HA ALA 99 HA ALA 99 2.583 -19.308 -8.607 742 HB1 ALA 99 1HB ALA 99 4.350 -18.961 -10.355 743 HB2 ALA 99 2HB ALA 99 5.125 -17.828 -9.246 744 HB3 ALA 99 3HB ALA 99 4.943 -19.522 -8.791 745 H VAL 100 H VAL 100 2.522 -19.420 -6.463 746 HA VAL 100 HA VAL 100 2.761 -17.041 -4.868 747 HB VAL 100 HB VAL 100 2.283 -18.565 -2.952 748 HG11 VAL 100 1HG1 VAL 100 0.591 -17.896 -5.166 749 HG12 VAL 100 2HG1 VAL 100 0.076 -19.430 -4.461 750 HG13 VAL 100 3HG1 VAL 100 0.197 -17.990 -3.450 751 HG21 VAL 100 1HG2 VAL 100 3.284 -20.532 -4.545 752 HG22 VAL 100 2HG2 VAL 100 2.301 -20.806 -3.107 753 HG23 VAL 100 3HG2 VAL 100 1.548 -20.801 -4.701 754 HA PRO 101 HA PRO 101 3.060 -16.657 -2.618 755 HB2 PRO 101 1HB PRO 101 4.634 -14.608 -1.784 756 HB3 PRO 101 2HB PRO 101 4.493 -16.132 -0.900 757 HG2 PRO 101 1HG PRO 101 6.634 -15.229 -2.786 758 HG3 PRO 101 2HG PRO 101 6.793 -16.069 -1.233 759 HD2 PRO 101 1HD PRO 101 6.976 -17.354 -3.609 760 HD3 PRO 101 2HD PRO 101 6.315 -18.127 -2.153 761 H THR 102 H THR 102 1.794 -15.167 -3.557 762 HA THR 102 HA THR 102 2.953 -13.538 -5.723 763 HB THR 102 HB THR 102 0.100 -14.512 -5.487 764 HG1 THR 102 1HG THR 102 2.371 -15.485 -6.833 765 HG21 THR 102 1HG2 THR 102 -0.208 -12.685 -6.798 766 HG22 THR 102 2HG2 THR 102 0.392 -13.767 -8.055 767 HG23 THR 102 3HG2 THR 102 1.485 -12.617 -7.285 768 H LEU 103 H LEU 103 3.159 -11.487 -5.126 769 HA LEU 103 HA LEU 103 1.300 -10.357 -3.168 770 HB2 LEU 103 1HB LEU 103 3.699 -10.115 -2.750 771 HB3 LEU 103 2HB LEU 103 3.880 -9.263 -4.282 772 HG LEU 103 HG LEU 103 2.413 -7.464 -3.386 773 HD11 LEU 103 1HD1 LEU 103 2.399 -9.298 -1.049 774 HD12 LEU 103 2HD1 LEU 103 1.115 -8.280 -1.699 775 HD13 LEU 103 3HD1 LEU 103 2.414 -7.560 -0.749 776 HD21 LEU 103 1HD2 LEU 103 4.888 -7.352 -3.320 777 HD22 LEU 103 2HD2 LEU 103 4.843 -8.024 -1.690 778 HD23 LEU 103 3HD2 LEU 103 4.113 -6.451 -2.017 779 H LEU 104 H LEU 104 -0.515 -9.742 -4.221 780 HA LEU 104 HA LEU 104 -0.251 -8.152 -6.670 781 HB2 LEU 104 1HB LEU 104 -1.818 -9.747 -7.138 782 HB3 LEU 104 2HB LEU 104 -2.394 -9.823 -5.474 783 HG LEU 104 HG LEU 104 -3.462 -7.551 -5.909 784 HD11 LEU 104 1HD1 LEU 104 -3.815 -6.843 -8.126 785 HD12 LEU 104 2HD1 LEU 104 -3.171 -8.342 -8.793 786 HD13 LEU 104 3HD1 LEU 104 -2.090 -7.192 -8.008 787 HD21 LEU 104 1HD2 LEU 104 -4.901 -9.258 -7.737 788 HD22 LEU 104 2HD2 LEU 104 -5.342 -8.719 -6.116 789 HD23 LEU 104 3HD2 LEU 104 -4.345 -10.159 -6.326 790 H LYS 105 H LYS 105 -0.789 -6.045 -6.766 791 HA LYS 105 HA LYS 105 -1.495 -4.733 -4.250 792 HB2 LYS 105 1HB LYS 105 0.470 -3.893 -5.450 793 HB3 LYS 105 2HB LYS 105 -0.520 -3.577 -6.869 794 HG2 LYS 105 1HG LYS 105 -1.692 -1.835 -5.779 795 HG3 LYS 105 2HG LYS 105 -1.024 -2.279 -4.206 796 HD2 LYS 105 1HD LYS 105 1.241 -1.714 -5.095 797 HD3 LYS 105 2HD LYS 105 0.459 -1.107 -6.557 798 HE2 LYS 105 1HE LYS 105 -0.435 -0.098 -3.896 799 HE3 LYS 105 2HE LYS 105 1.069 0.513 -4.585 800 HZ1 LYS 105 1HZ LYS 105 -1.238 1.641 -5.084 801 HZ2 LYS 105 2HZ LYS 105 -1.296 0.471 -6.303 802 HZ3 LYS 105 3HZ LYS 105 -0.017 1.577 -6.253 803 H TYR 106 H TYR 106 -3.702 -5.109 -4.122 804 HA TYR 106 HA TYR 106 -5.634 -5.005 -6.028 805 HB2 TYR 106 1HB TYR 106 -5.753 -5.292 -3.404 806 HB3 TYR 106 2HB TYR 106 -6.202 -3.591 -3.457 807 HD1 TYR 106 2HD TYR 106 -7.064 -6.473 -5.675 808 HD2 TYR 106 1HD TYR 106 -8.473 -3.420 -3.069 809 HE1 TYR 106 2HE TYR 106 -9.382 -7.107 -6.196 810 HE2 TYR 106 1HE TYR 106 -10.796 -4.046 -3.582 811 HH TYR 106 HH TYR 106 -12.127 -5.469 -4.649 812 H GLY 107 H GLY 107 -5.865 -3.567 -7.614 813 HA2 GLY 107 1HA GLY 107 -6.930 -1.325 -7.966 814 HA3 GLY 107 2HA GLY 107 -5.662 -0.701 -6.922 815 H THR 108 H THR 108 -3.720 -2.621 -8.182 816 HA THR 108 HA THR 108 -3.472 -1.445 -10.855 817 HB THR 108 HB THR 108 -1.127 -0.893 -10.522 818 HG1 THR 108 1HG THR 108 -1.447 -1.443 -7.756 819 HG21 THR 108 1HG2 THR 108 -3.204 0.312 -8.770 820 HG22 THR 108 2HG2 THR 108 -2.281 1.032 -10.090 821 HG23 THR 108 3HG2 THR 108 -1.530 0.799 -8.511 822 HA PRO 109 HA PRO 109 -2.258 -5.500 -12.041 823 HB2 PRO 109 1HB PRO 109 -0.738 -4.932 -14.218 824 HB3 PRO 109 2HB PRO 109 -2.500 -4.791 -14.213 825 HG2 PRO 109 1HG PRO 109 -0.428 -2.656 -13.886 826 HG3 PRO 109 2HG PRO 109 -1.922 -2.628 -14.841 827 HD2 PRO 109 1HD PRO 109 -1.725 -1.453 -12.409 828 HD3 PRO 109 2HD PRO 109 -3.236 -2.170 -13.003 829 H GLN 110 H GLN 110 -0.204 -3.373 -10.598 830 HA GLN 110 HA GLN 110 2.311 -4.642 -11.133 831 HB2 GLN 110 1HB GLN 110 1.339 -2.468 -9.353 832 HB3 GLN 110 2HB GLN 110 2.834 -3.275 -8.897 833 HG2 GLN 110 1HG GLN 110 3.419 -2.815 -11.437 834 HG3 GLN 110 2HG GLN 110 2.250 -1.517 -11.209 835 HE21 GLN 110 1HE2 GLN 110 2.663 -0.562 -8.800 836 HE22 GLN 110 2HE2 GLN 110 4.282 0.004 -8.592 837 H LYS 111 H LYS 111 2.716 -6.640 -10.463 838 HA LYS 111 HA LYS 111 2.085 -7.333 -7.681 839 HB2 LYS 111 1HB LYS 111 1.417 -9.593 -8.370 840 HB3 LYS 111 2HB LYS 111 0.365 -8.370 -9.070 841 HG2 LYS 111 1HG LYS 111 0.695 -9.669 -10.900 842 HG3 LYS 111 2HG LYS 111 2.067 -8.572 -11.082 843 HD2 LYS 111 1HD LYS 111 3.074 -10.628 -11.370 844 HD3 LYS 111 2HD LYS 111 3.319 -10.354 -9.643 845 HE2 LYS 111 1HE LYS 111 2.558 -12.558 -9.765 846 HE3 LYS 111 2HE LYS 111 1.122 -11.635 -9.326 847 HZ1 LYS 111 1HZ LYS 111 0.557 -13.179 -11.039 848 HZ2 LYS 111 2HZ LYS 111 1.826 -12.651 -12.024 849 HZ3 LYS 111 3HZ LYS 111 0.518 -11.626 -11.708 850 H LEU 112 H LEU 112 3.525 -8.758 -6.686 851 HA LEU 112 HA LEU 112 6.044 -9.166 -8.156 852 HB2 LEU 112 1HB LEU 112 5.644 -8.971 -5.176 853 HB3 LEU 112 2HB LEU 112 7.184 -9.094 -6.024 854 HG LEU 112 HG LEU 112 5.285 -6.754 -6.198 855 HD11 LEU 112 1HD1 LEU 112 6.182 -6.019 -4.311 856 HD12 LEU 112 2HD1 LEU 112 7.778 -6.065 -5.059 857 HD13 LEU 112 3HD1 LEU 112 7.171 -7.475 -4.190 858 HD21 LEU 112 1HD2 LEU 112 8.138 -6.896 -7.132 859 HD22 LEU 112 2HD2 LEU 112 6.925 -5.666 -7.486 860 HD23 LEU 112 3HD2 LEU 112 6.779 -7.278 -8.188 861 H VAL 113 H VAL 113 6.639 -11.187 -8.561 862 HA VAL 113 HA VAL 113 5.118 -13.386 -7.444 863 HB VAL 113 HB VAL 113 7.470 -13.898 -9.187 864 HG11 VAL 113 1HG1 VAL 113 6.403 -15.866 -8.979 865 HG12 VAL 113 2HG1 VAL 113 4.871 -15.106 -8.543 866 HG13 VAL 113 3HG1 VAL 113 5.350 -15.219 -10.237 867 HG21 VAL 113 1HG2 VAL 113 5.762 -13.408 -11.133 868 HG22 VAL 113 2HG2 VAL 113 5.119 -12.248 -9.970 869 HG23 VAL 113 3HG2 VAL 113 6.801 -12.137 -10.489 870 H GLU 114 H GLU 114 6.525 -15.440 -6.969 871 HA GLU 114 HA GLU 114 7.630 -15.383 -4.558 872 HB2 GLU 114 1HB GLU 114 9.044 -16.943 -6.710 873 HB3 GLU 114 2HB GLU 114 8.806 -17.381 -5.025 874 HG2 GLU 114 1HG GLU 114 6.313 -17.420 -5.571 875 HG3 GLU 114 2HG GLU 114 6.814 -17.402 -7.261 876 H SER 115 H SER 115 9.729 -15.107 -7.433 877 HA SER 115 HA SER 115 12.049 -14.386 -6.070 878 HB2 SER 115 1HB SER 115 11.115 -13.900 -8.891 879 HB3 SER 115 2HB SER 115 12.679 -13.310 -8.330 880 HG SER 115 HG SER 115 12.021 -15.983 -7.846 881 H GLU 116 H GLU 116 9.611 -12.300 -7.606 882 HA GLU 116 HA GLU 116 10.856 -9.868 -6.831 883 HB2 GLU 116 1HB GLU 116 7.943 -10.290 -7.508 884 HB3 GLU 116 2HB GLU 116 8.846 -8.785 -7.600 885 HG2 GLU 116 1HG GLU 116 10.322 -10.012 -9.304 886 HG3 GLU 116 2HG GLU 116 9.005 -11.182 -9.383 887 H CYS 117 H CYS 117 9.209 -12.178 -5.058 888 HA CYS 117 HA CYS 117 8.117 -10.296 -3.117 889 HB2 CYS 117 1HB CYS 117 7.937 -13.278 -3.467 890 HB3 CYS 117 2HB CYS 117 7.450 -12.512 -1.960 891 HG CYS 117 HG CYS 117 5.906 -12.541 -4.943 892 H CYS 118 H CYS 118 10.995 -11.935 -3.703 893 HA CYS 118 HA CYS 118 11.751 -11.889 -0.862 894 HB2 CYS 118 1HB CYS 118 12.130 -14.055 -1.766 895 HB3 CYS 118 2HB CYS 118 12.869 -13.398 -3.221 896 HG CYS 118 HG CYS 118 15.294 -13.073 -2.297 897 H GLN 119 H GLN 119 12.022 -10.124 -3.675 898 HA GLN 119 HA GLN 119 14.691 -9.098 -3.113 899 HB2 GLN 119 1HB GLN 119 12.746 -8.802 -5.366 900 HB3 GLN 119 2HB GLN 119 14.005 -7.593 -5.154 901 HG2 GLN 119 1HG GLN 119 14.427 -9.581 -6.732 902 HG3 GLN 119 2HG GLN 119 15.702 -9.082 -5.622 903 HE21 GLN 119 1HE2 GLN 119 14.135 -11.676 -6.848 904 HE22 GLN 119 2HE2 GLN 119 14.426 -12.823 -5.590 905 H SER 120 H SER 120 14.382 -8.014 -1.161 906 HA SER 120 HA SER 120 12.434 -6.379 -0.289 907 HB2 SER 120 1HB SER 120 14.509 -4.882 0.530 908 HB3 SER 120 2HB SER 120 14.125 -6.446 1.248 909 HG SER 120 HG SER 120 15.767 -6.439 -1.001 910 H SER 121 H SER 121 15.118 -5.256 -2.349 911 HA SER 121 HA SER 121 14.553 -2.646 -2.696 912 HB2 SER 121 1HB SER 121 16.275 -4.224 -3.913 913 HB3 SER 121 2HB SER 121 15.056 -4.232 -5.187 914 HG SER 121 HG SER 121 15.833 -1.780 -4.081 915 H LEU 122 H LEU 122 12.842 -5.321 -4.248 916 HA LEU 122 HA LEU 122 11.112 -3.607 -5.762 917 HB2 LEU 122 1HB LEU 122 11.154 -6.550 -5.180 918 HB3 LEU 122 2HB LEU 122 9.819 -5.801 -6.053 919 HG LEU 122 HG LEU 122 12.687 -5.655 -6.965 920 HD11 LEU 122 1HD1 LEU 122 12.540 -7.777 -7.591 921 HD12 LEU 122 2HD1 LEU 122 11.215 -7.325 -8.663 922 HD13 LEU 122 3HD1 LEU 122 10.873 -7.879 -7.024 923 HD21 LEU 122 1HD2 LEU 122 10.045 -5.043 -8.278 924 HD22 LEU 122 2HD2 LEU 122 11.582 -5.131 -9.139 925 HD23 LEU 122 3HD2 LEU 122 11.339 -3.909 -7.890 926 H VAL 123 H VAL 123 10.759 -5.584 -2.834 927 HA VAL 123 HA VAL 123 8.091 -5.254 -2.293 928 HB VAL 123 HB VAL 123 10.453 -5.404 -0.440 929 HG11 VAL 123 1HG1 VAL 123 8.716 -4.078 0.678 930 HG12 VAL 123 2HG1 VAL 123 7.550 -5.369 0.379 931 HG13 VAL 123 3HG1 VAL 123 8.931 -5.654 1.438 932 HG21 VAL 123 1HG2 VAL 123 9.688 -7.637 -0.034 933 HG22 VAL 123 2HG2 VAL 123 8.201 -7.346 -0.937 934 HG23 VAL 123 3HG2 VAL 123 9.750 -7.390 -1.779 935 H GLU 124 H GLU 124 10.732 -3.053 -1.375 936 HA GLU 124 HA GLU 124 8.987 -1.132 -0.186 937 HB2 GLU 124 1HB GLU 124 10.948 0.278 -0.013 938 HB3 GLU 124 2HB GLU 124 11.365 -1.366 0.448 939 HG2 GLU 124 1HG GLU 124 12.297 -1.716 -1.818 940 HG3 GLU 124 2HG GLU 124 11.978 -0.019 -2.171 941 H MET 125 H MET 125 10.204 -1.699 -3.392 942 HA MET 125 HA MET 125 9.773 0.865 -4.482 943 HB2 MET 125 1HB MET 125 11.119 -0.913 -5.569 944 HB3 MET 125 2HB MET 125 9.639 -1.807 -5.890 945 HG2 MET 125 1HG MET 125 9.818 0.992 -6.857 946 HG3 MET 125 2HG MET 125 10.751 -0.244 -7.697 947 HE1 MET 125 1HE MET 125 9.907 -2.392 -8.253 948 HE2 MET 125 2HE MET 125 8.225 -2.894 -8.423 949 HE3 MET 125 3HE MET 125 9.027 -2.036 -9.740 950 H ILE 126 H ILE 126 7.771 -2.074 -4.805 951 HA ILE 126 HA ILE 126 5.602 -0.991 -6.091 952 HB ILE 126 HB ILE 126 5.965 -3.421 -5.467 953 HG12 ILE 126 1HG1 ILE 126 3.167 -2.636 -4.755 954 HG13 ILE 126 2HG1 ILE 126 3.790 -2.210 -6.345 955 HG21 ILE 126 1HG2 ILE 126 5.989 -2.542 -2.917 956 HG22 ILE 126 2HG2 ILE 126 4.315 -3.075 -3.055 957 HG23 ILE 126 3HG2 ILE 126 5.630 -4.204 -3.382 958 HD11 ILE 126 1HD1 ILE 126 3.385 -4.935 -5.169 959 HD12 ILE 126 2HD1 ILE 126 2.686 -4.247 -6.636 960 HD13 ILE 126 3HD1 ILE 126 4.399 -4.663 -6.586 961 H PHE 127 H PHE 127 6.481 -0.714 -2.718 962 HA PHE 127 HA PHE 127 3.959 0.428 -1.925 963 HB2 PHE 127 1HB PHE 127 6.602 0.319 -0.456 964 HB3 PHE 127 2HB PHE 127 5.058 0.791 0.247 965 HD1 PHE 127 2HD PHE 127 3.348 -1.297 -1.117 966 HD2 PHE 127 1HD PHE 127 7.098 -1.549 0.882 967 HE1 PHE 127 2HE PHE 127 2.887 -3.647 -0.556 968 HE2 PHE 127 1HE PHE 127 6.643 -3.900 1.445 969 HZ PHE 127 HZ PHE 127 4.535 -4.952 0.727 970 H SER 128 H SER 128 7.252 1.631 -2.476 971 HA SER 128 HA SER 128 6.831 4.298 -1.793 972 HB2 SER 128 1HB SER 128 9.045 3.173 -2.306 973 HB3 SER 128 2HB SER 128 8.657 3.369 -4.015 974 HG SER 128 HG SER 128 8.277 5.709 -3.166 975 H GLU 129 H GLU 129 6.611 2.760 -4.998 976 HA GLU 129 HA GLU 129 5.385 5.170 -6.085 977 HB2 GLU 129 1HB GLU 129 6.455 2.636 -7.287 978 HB3 GLU 129 2HB GLU 129 5.402 3.690 -8.221 979 HG2 GLU 129 1HG GLU 129 7.971 4.571 -6.928 980 HG3 GLU 129 2HG GLU 129 7.818 4.068 -8.610 981 H ASP 130 H ASP 130 3.377 5.092 -7.253 982 HA ASP 130 HA ASP 130 1.571 2.960 -6.314 983 HB2 ASP 130 1HB ASP 130 1.283 5.304 -5.294 984 HB3 ASP 130 2HB ASP 130 0.674 5.779 -6.877 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.905 17.022 15.261 2 HA2 GLY 1 1HA GLY 1 3.199 19.952 15.190 3 HA3 GLY 1 2HA GLY 1 1.843 19.053 14.525 4 H SER 2 H SER 2 0.540 20.601 15.736 5 HA SER 2 HA SER 2 0.557 20.305 18.633 6 HB2 SER 2 1HB SER 2 -1.101 22.103 18.632 7 HB3 SER 2 2HB SER 2 0.285 22.554 17.639 8 HG SER 2 HG SER 2 -1.084 22.825 16.084 9 H GLU 3 H GLU 3 -1.649 19.765 15.904 10 HA GLU 3 HA GLU 3 -3.247 18.014 17.656 11 HB2 GLU 3 1HB GLU 3 -4.033 19.962 15.543 12 HB3 GLU 3 2HB GLU 3 -4.998 18.503 15.716 13 HG2 GLU 3 1HG GLU 3 -6.095 20.033 17.057 14 HG3 GLU 3 2HG GLU 3 -5.117 19.119 18.204 15 H GLY 4 H GLY 4 -2.640 18.510 14.169 16 HA2 GLY 4 1HA GLY 4 -2.443 15.571 13.915 17 HA3 GLY 4 2HA GLY 4 -3.132 16.606 12.673 18 H ALA 5 H ALA 5 -1.837 17.343 11.103 19 HA ALA 5 HA ALA 5 0.020 17.661 9.826 20 HB1 ALA 5 1HB ALA 5 0.855 18.404 12.546 21 HB2 ALA 5 2HB ALA 5 2.168 18.049 11.422 22 HB3 ALA 5 3HB ALA 5 0.985 19.298 11.031 23 H ALA 6 H ALA 6 -0.701 15.003 10.336 24 HA ALA 6 HA ALA 6 1.601 13.458 11.066 25 HB1 ALA 6 1HB ALA 6 0.065 11.644 9.855 26 HB2 ALA 6 2HB ALA 6 -0.243 12.211 11.497 27 HB3 ALA 6 3HB ALA 6 -1.153 12.886 10.146 28 H THR 7 H THR 7 3.350 13.510 9.804 29 HA THR 7 HA THR 7 3.004 13.497 6.887 30 HB THR 7 HB THR 7 5.677 13.872 8.171 31 HG1 THR 7 1HG THR 7 3.497 15.634 8.302 32 HG21 THR 7 1HG2 THR 7 4.952 13.806 5.605 33 HG22 THR 7 2HG2 THR 7 6.258 14.838 6.188 34 HG23 THR 7 3HG2 THR 7 4.651 15.514 5.921 35 H MET 8 H MET 8 2.449 11.092 8.035 36 HA MET 8 HA MET 8 4.605 9.446 6.977 37 HB2 MET 8 1HB MET 8 3.726 9.468 9.825 38 HB3 MET 8 2HB MET 8 4.116 7.917 9.094 39 HG2 MET 8 1HG MET 8 6.340 8.667 8.572 40 HG3 MET 8 2HG MET 8 5.963 10.290 9.144 41 HE1 MET 8 1HE MET 8 8.399 8.510 9.885 42 HE2 MET 8 2HE MET 8 8.319 10.001 10.824 43 HE3 MET 8 3HE MET 8 8.540 8.453 11.642 44 H ALA 9 H ALA 9 3.871 7.048 7.035 45 HA ALA 9 HA ALA 9 1.088 6.992 6.093 46 HB1 ALA 9 1HB ALA 9 2.288 4.586 5.382 47 HB2 ALA 9 2HB ALA 9 1.989 5.973 4.334 48 HB3 ALA 9 3HB ALA 9 3.544 5.802 5.149 49 H THR 10 H THR 10 -0.030 4.834 6.416 50 HA THR 10 HA THR 10 0.656 3.629 9.008 51 HB THR 10 HB THR 10 -1.830 3.533 9.500 52 HG1 THR 10 1HG THR 10 -3.169 4.858 8.346 53 HG21 THR 10 1HG2 THR 10 -0.168 5.147 10.524 54 HG22 THR 10 2HG2 THR 10 -1.855 5.661 10.553 55 HG23 THR 10 3HG2 THR 10 -0.746 6.341 9.362 56 H PHE 11 H PHE 11 0.722 1.485 8.912 57 HA PHE 11 HA PHE 11 -0.782 0.133 6.769 58 HB2 PHE 11 1HB PHE 11 0.993 -1.281 6.328 59 HB3 PHE 11 2HB PHE 11 1.846 0.203 6.742 60 HD1 PHE 11 1HD PHE 11 0.952 -3.166 7.863 61 HD2 PHE 11 2HD PHE 11 3.124 0.381 8.767 62 HE1 PHE 11 1HE PHE 11 2.178 -4.370 9.624 63 HE2 PHE 11 2HE PHE 11 4.354 -0.818 10.529 64 HZ PHE 11 HZ PHE 11 3.883 -3.196 10.959 65 H GLU 12 H GLU 12 -1.991 -1.623 7.290 66 HA GLU 12 HA GLU 12 -1.986 -2.446 10.120 67 HB2 GLU 12 1HB GLU 12 -4.001 -1.154 9.496 68 HB3 GLU 12 2HB GLU 12 -4.354 -2.336 8.244 69 HG2 GLU 12 1HG GLU 12 -5.682 -2.617 10.318 70 HG3 GLU 12 2HG GLU 12 -4.751 -4.041 9.858 71 H GLU 13 H GLU 13 -1.686 -4.544 10.525 72 HA GLU 13 HA GLU 13 -1.344 -6.358 8.287 73 HB2 GLU 13 1HB GLU 13 0.146 -6.119 10.432 74 HB3 GLU 13 2HB GLU 13 -1.053 -7.184 11.150 75 HG2 GLU 13 1HG GLU 13 0.304 -7.884 8.575 76 HG3 GLU 13 2HG GLU 13 1.051 -8.226 10.135 77 H VAL 14 H VAL 14 -2.791 -7.807 7.634 78 HA VAL 14 HA VAL 14 -4.978 -8.541 9.466 79 HB VAL 14 HB VAL 14 -5.271 -8.119 6.490 80 HG11 VAL 14 1HG1 VAL 14 -7.119 -9.332 6.720 81 HG12 VAL 14 2HG1 VAL 14 -6.887 -9.446 8.465 82 HG13 VAL 14 3HG1 VAL 14 -7.754 -8.072 7.778 83 HG21 VAL 14 1HG2 VAL 14 -5.077 -5.953 7.265 84 HG22 VAL 14 2HG2 VAL 14 -6.816 -6.223 7.391 85 HG23 VAL 14 3HG2 VAL 14 -5.800 -6.335 8.828 86 H SER 15 H SER 15 -5.487 -10.661 9.580 87 HA SER 15 HA SER 15 -3.997 -12.487 7.811 88 HB2 SER 15 1HB SER 15 -3.192 -12.785 10.033 89 HB3 SER 15 2HB SER 15 -4.824 -12.776 10.701 90 HG SER 15 HG SER 15 -5.197 -14.765 9.734 91 H VAL 16 H VAL 16 -5.098 -13.937 6.636 92 HA VAL 16 HA VAL 16 -7.776 -14.754 7.371 93 HB VAL 16 HB VAL 16 -8.758 -14.123 5.182 94 HG11 VAL 16 1HG1 VAL 16 -7.729 -11.754 6.739 95 HG12 VAL 16 2HG1 VAL 16 -9.182 -11.817 5.739 96 HG13 VAL 16 3HG1 VAL 16 -9.091 -12.762 7.225 97 HG21 VAL 16 1HG2 VAL 16 -7.532 -12.208 3.995 98 HG22 VAL 16 2HG2 VAL 16 -6.098 -12.770 4.855 99 HG23 VAL 16 3HG2 VAL 16 -6.937 -13.848 3.739 100 H LEU 17 H LEU 17 -8.475 -16.618 6.289 101 HA LEU 17 HA LEU 17 -6.475 -17.885 4.537 102 HB2 LEU 17 1HB LEU 17 -6.514 -18.786 6.878 103 HB3 LEU 17 2HB LEU 17 -8.166 -19.320 6.575 104 HG LEU 17 HG LEU 17 -5.763 -20.259 5.013 105 HD11 LEU 17 1HD1 LEU 17 -5.387 -21.152 7.121 106 HD12 LEU 17 2HD1 LEU 17 -6.308 -22.419 6.310 107 HD13 LEU 17 3HD1 LEU 17 -7.108 -21.345 7.457 108 HD21 LEU 17 1HD2 LEU 17 -7.466 -22.120 4.490 109 HD22 LEU 17 2HD2 LEU 17 -7.620 -20.576 3.650 110 HD23 LEU 17 3HD2 LEU 17 -8.678 -20.950 5.012 111 H GLY 18 H GLY 18 -7.340 -18.019 2.572 112 HA2 GLY 18 1HA GLY 18 -8.879 -19.334 1.199 113 HA3 GLY 18 2HA GLY 18 -10.137 -18.945 2.363 114 H PHE 19 H PHE 19 -10.786 -18.480 -0.153 115 HA PHE 19 HA PHE 19 -10.073 -15.821 -0.999 116 HB2 PHE 19 1HB PHE 19 -10.575 -17.639 -2.616 117 HB3 PHE 19 2HB PHE 19 -12.243 -17.646 -2.052 118 HD1 PHE 19 2HD PHE 19 -13.517 -15.397 -2.221 119 HD2 PHE 19 1HD PHE 19 -9.969 -16.299 -4.393 120 HE1 PHE 19 2HE PHE 19 -14.077 -13.646 -3.856 121 HE2 PHE 19 1HE PHE 19 -10.523 -14.548 -6.031 122 HZ PHE 19 HZ PHE 19 -12.580 -13.220 -5.765 123 H GLU 20 H GLU 20 -12.815 -17.381 0.563 124 HA GLU 20 HA GLU 20 -14.702 -15.359 0.407 125 HB2 GLU 20 1HB GLU 20 -14.156 -17.490 2.446 126 HB3 GLU 20 2HB GLU 20 -15.425 -16.306 2.727 127 HG2 GLU 20 1HG GLU 20 -16.645 -17.938 1.732 128 HG3 GLU 20 2HG GLU 20 -16.162 -17.027 0.303 129 H GLU 21 H GLU 21 -12.744 -15.986 3.321 130 HA GLU 21 HA GLU 21 -13.261 -13.603 4.616 131 HB2 GLU 21 1HB GLU 21 -10.783 -15.328 4.690 132 HB3 GLU 21 2HB GLU 21 -11.076 -13.996 5.800 133 HG2 GLU 21 1HG GLU 21 -13.061 -16.213 5.508 134 HG3 GLU 21 2HG GLU 21 -11.647 -16.387 6.546 135 H PHE 22 H PHE 22 -10.619 -14.346 2.365 136 HA PHE 22 HA PHE 22 -9.141 -12.051 2.482 137 HB2 PHE 22 1HB PHE 22 -8.304 -13.693 1.049 138 HB3 PHE 22 2HB PHE 22 -9.834 -13.868 0.197 139 HD1 PHE 22 2HD PHE 22 -7.863 -10.807 0.951 140 HD2 PHE 22 1HD PHE 22 -9.354 -13.456 -2.028 141 HE1 PHE 22 2HE PHE 22 -7.054 -9.284 -0.803 142 HE2 PHE 22 1HE PHE 22 -8.546 -11.938 -3.787 143 HZ PHE 22 HZ PHE 22 -7.396 -9.848 -3.176 144 H ASP 23 H ASP 23 -11.959 -12.576 0.365 145 HA ASP 23 HA ASP 23 -12.058 -10.035 -0.764 146 HB2 ASP 23 1HB ASP 23 -13.392 -12.073 -1.451 147 HB3 ASP 23 2HB ASP 23 -14.479 -11.718 -0.111 148 H LYS 24 H LYS 24 -13.893 -11.257 2.038 149 HA LYS 24 HA LYS 24 -15.272 -9.003 2.744 150 HB2 LYS 24 1HB LYS 24 -15.290 -11.305 3.852 151 HB3 LYS 24 2HB LYS 24 -13.913 -10.748 4.793 152 HG2 LYS 24 1HG LYS 24 -15.688 -10.323 6.200 153 HG3 LYS 24 2HG LYS 24 -15.448 -8.760 5.415 154 HD2 LYS 24 1HD LYS 24 -17.742 -9.039 5.272 155 HD3 LYS 24 2HD LYS 24 -17.194 -9.640 3.705 156 HE2 LYS 24 1HE LYS 24 -18.787 -11.198 4.533 157 HE3 LYS 24 2HE LYS 24 -17.198 -11.945 4.700 158 HZ1 LYS 24 1HZ LYS 24 -18.117 -12.370 6.736 159 HZ2 LYS 24 2HZ LYS 24 -19.001 -10.929 6.782 160 HZ3 LYS 24 3HZ LYS 24 -17.333 -10.908 7.068 161 H ALA 25 H ALA 25 -11.942 -9.821 3.671 162 HA ALA 25 HA ALA 25 -11.481 -7.512 5.227 163 HB1 ALA 25 1HB ALA 25 -10.111 -9.575 5.323 164 HB2 ALA 25 2HB ALA 25 -9.432 -9.157 3.750 165 HB3 ALA 25 3HB ALA 25 -9.152 -8.107 5.139 166 H VAL 26 H VAL 26 -11.181 -8.172 1.795 167 HA VAL 26 HA VAL 26 -9.717 -5.820 1.143 168 HB VAL 26 HB VAL 26 -11.408 -7.652 -0.556 169 HG11 VAL 26 1HG1 VAL 26 -10.352 -5.031 -1.154 170 HG12 VAL 26 2HG1 VAL 26 -9.661 -6.260 -2.215 171 HG13 VAL 26 3HG1 VAL 26 -11.412 -6.063 -2.114 172 HG21 VAL 26 1HG2 VAL 26 -8.509 -7.435 -0.976 173 HG22 VAL 26 2HG2 VAL 26 -8.988 -8.124 0.575 174 HG23 VAL 26 3HG2 VAL 26 -9.547 -8.860 -0.927 175 H LYS 27 H LYS 27 -13.149 -6.685 0.705 176 HA LYS 27 HA LYS 27 -14.006 -4.204 -0.250 177 HB2 LYS 27 1HB LYS 27 -15.426 -6.423 1.206 178 HB3 LYS 27 2HB LYS 27 -16.271 -4.965 0.704 179 HG2 LYS 27 1HG LYS 27 -14.706 -6.639 -1.231 180 HG3 LYS 27 2HG LYS 27 -16.393 -6.980 -0.839 181 HD2 LYS 27 1HD LYS 27 -15.490 -4.262 -1.750 182 HD3 LYS 27 2HD LYS 27 -15.927 -5.532 -2.895 183 HE2 LYS 27 1HE LYS 27 -17.943 -4.467 -2.666 184 HE3 LYS 27 2HE LYS 27 -18.083 -5.688 -1.402 185 HZ1 LYS 27 1HZ LYS 27 -18.105 -4.139 0.183 186 HZ2 LYS 27 2HZ LYS 27 -18.434 -3.032 -1.052 187 HZ3 LYS 27 3HZ LYS 27 -16.846 -3.249 -0.514 188 H GLU 28 H GLU 28 -13.048 -5.150 2.892 189 HA GLU 28 HA GLU 28 -14.551 -3.170 4.328 190 HB2 GLU 28 1HB GLU 28 -12.448 -5.165 4.991 191 HB3 GLU 28 2HB GLU 28 -12.623 -3.790 6.071 192 HG2 GLU 28 1HG GLU 28 -15.052 -4.357 6.257 193 HG3 GLU 28 2HG GLU 28 -14.707 -5.836 5.362 194 H HIS 29 H HIS 29 -11.256 -3.449 3.086 195 HA HIS 29 HA HIS 29 -10.729 -0.681 3.914 196 HB2 HIS 29 1HB HIS 29 -8.661 -2.545 2.782 197 HB3 HIS 29 2HB HIS 29 -8.433 -1.153 3.837 198 HD1 HIS 29 1HD HIS 29 -9.705 -1.589 6.322 199 HD2 HIS 29 2HD HIS 29 -8.394 -4.863 4.126 200 HE1 HIS 29 1HE HIS 29 -9.515 -3.475 7.975 201 HE2 HIS 29 2HE HIS 29 -8.639 -5.423 6.639 202 H GLU 30 H GLU 30 -12.305 -1.722 1.526 203 HA GLU 30 HA GLU 30 -10.930 -1.286 -0.854 204 HB2 GLU 30 1HB GLU 30 -13.032 -1.145 -1.912 205 HB3 GLU 30 2HB GLU 30 -13.284 -2.205 -0.533 206 HG2 GLU 30 1HG GLU 30 -14.335 -0.449 0.707 207 HG3 GLU 30 2HG GLU 30 -13.936 0.730 -0.541 208 H SER 31 H SER 31 -11.764 0.926 1.580 209 HA SER 31 HA SER 31 -11.965 3.261 -0.077 210 HB2 SER 31 1HB SER 31 -11.710 2.830 2.896 211 HB3 SER 31 2HB SER 31 -11.684 4.444 2.186 212 HG SER 31 HG SER 31 -13.733 3.487 1.092 213 H LYS 32 H LYS 32 -9.425 1.603 1.670 214 HA LYS 32 HA LYS 32 -7.498 3.601 0.679 215 HB2 LYS 32 1HB LYS 32 -6.029 2.875 2.556 216 HB3 LYS 32 2HB LYS 32 -7.523 3.637 3.085 217 HG2 LYS 32 1HG LYS 32 -7.485 0.680 2.839 218 HG3 LYS 32 2HG LYS 32 -6.615 1.417 4.187 219 HD2 LYS 32 1HD LYS 32 -8.880 2.775 4.419 220 HD3 LYS 32 2HD LYS 32 -9.531 1.348 3.609 221 HE2 LYS 32 1HE LYS 32 -9.065 -0.033 5.372 222 HE3 LYS 32 2HE LYS 32 -7.699 0.941 5.915 223 HZ1 LYS 32 1HZ LYS 32 -9.295 2.616 6.694 224 HZ2 LYS 32 2HZ LYS 32 -9.505 1.127 7.469 225 HZ3 LYS 32 3HZ LYS 32 -10.575 1.603 6.249 226 H THR 33 H THR 33 -5.243 2.635 0.421 227 HA THR 33 HA THR 33 -5.247 0.728 -1.587 228 HB THR 33 HB THR 33 -2.929 1.241 0.283 229 HG1 THR 33 1HG THR 33 -2.825 3.166 -0.574 230 HG21 THR 33 1HG2 THR 33 -2.429 -0.590 -1.139 231 HG22 THR 33 2HG2 THR 33 -1.640 0.813 -1.858 232 HG23 THR 33 3HG2 THR 33 -3.150 0.206 -2.537 233 H ILE 34 H ILE 34 -4.943 -1.461 -1.689 234 HA ILE 34 HA ILE 34 -4.820 -2.914 0.870 235 HB ILE 34 HB ILE 34 -6.556 -3.568 -1.512 236 HG12 ILE 34 1HG1 ILE 34 -7.400 -3.143 1.350 237 HG13 ILE 34 2HG1 ILE 34 -7.287 -1.810 0.206 238 HG21 ILE 34 1HG2 ILE 34 -5.820 -5.183 0.906 239 HG22 ILE 34 2HG2 ILE 34 -7.326 -5.458 0.033 240 HG23 ILE 34 3HG2 ILE 34 -5.781 -5.654 -0.793 241 HD11 ILE 34 1HD1 ILE 34 -9.159 -4.141 0.198 242 HD12 ILE 34 2HD1 ILE 34 -9.523 -2.415 0.146 243 HD13 ILE 34 3HD1 ILE 34 -8.841 -3.216 -1.270 244 H PHE 35 H PHE 35 -3.476 -4.640 0.956 245 HA PHE 35 HA PHE 35 -2.149 -5.457 -1.542 246 HB2 PHE 35 1HB PHE 35 -0.950 -4.717 1.105 247 HB3 PHE 35 2HB PHE 35 -0.130 -5.880 0.068 248 HD1 PHE 35 2HD PHE 35 0.419 -5.160 -2.315 249 HD2 PHE 35 1HD PHE 35 -0.703 -2.433 0.755 250 HE1 PHE 35 2HE PHE 35 1.421 -3.312 -3.594 251 HE2 PHE 35 1HE PHE 35 0.296 -0.581 -0.519 252 HZ PHE 35 HZ PHE 35 1.361 -1.020 -2.696 253 H ALA 36 H ALA 36 -2.743 -7.476 -1.957 254 HA ALA 36 HA ALA 36 -3.316 -9.306 0.251 255 HB1 ALA 36 1HB ALA 36 -3.932 -10.746 -1.929 256 HB2 ALA 36 2HB ALA 36 -5.052 -9.622 -1.158 257 HB3 ALA 36 3HB ALA 36 -4.135 -9.118 -2.577 258 H TYR 37 H TYR 37 -1.946 -10.852 0.852 259 HA TYR 37 HA TYR 37 0.346 -11.434 -0.901 260 HB2 TYR 37 1HB TYR 37 0.917 -10.433 1.285 261 HB3 TYR 37 2HB TYR 37 0.119 -11.775 2.097 262 HD1 TYR 37 1HD TYR 37 2.532 -11.581 -0.755 263 HD2 TYR 37 2HD TYR 37 1.682 -13.130 3.115 264 HE1 TYR 37 1HE TYR 37 4.635 -12.856 -0.810 265 HE2 TYR 37 2HE TYR 37 3.783 -14.408 3.072 266 HH TYR 37 HH TYR 37 6.224 -13.881 1.447 267 H PHE 38 H PHE 38 -0.958 -12.978 -2.073 268 HA PHE 38 HA PHE 38 -2.103 -15.245 -0.801 269 HB2 PHE 38 1HB PHE 38 -1.214 -15.105 -3.680 270 HB3 PHE 38 2HB PHE 38 -2.505 -16.085 -2.992 271 HD1 PHE 38 1HD PHE 38 -4.370 -14.636 -1.744 272 HD2 PHE 38 2HD PHE 38 -1.823 -13.239 -4.855 273 HE1 PHE 38 1HE PHE 38 -5.998 -12.870 -2.280 274 HE2 PHE 38 2HE PHE 38 -3.446 -11.471 -5.395 275 HZ PHE 38 HZ PHE 38 -5.537 -11.284 -4.106 276 H SER 39 H SER 39 -0.806 -16.512 0.394 277 HA SER 39 HA SER 39 1.492 -17.742 -0.963 278 HB2 SER 39 1HB SER 39 2.704 -17.705 1.246 279 HB3 SER 39 2HB SER 39 2.477 -16.118 0.510 280 HG SER 39 HG SER 39 0.400 -16.301 1.931 281 H GLY 40 H GLY 40 2.246 -19.741 0.266 282 HA2 GLY 40 1HA GLY 40 0.101 -21.557 0.456 283 HA3 GLY 40 2HA GLY 40 1.756 -21.875 0.954 284 H SER 41 H SER 41 -0.491 -22.886 2.295 285 HA SER 41 HA SER 41 -1.260 -21.336 4.522 286 HB2 SER 41 1HB SER 41 -1.239 -24.326 4.075 287 HB3 SER 41 2HB SER 41 -1.933 -23.563 5.506 288 HG SER 41 HG SER 41 -3.562 -23.850 4.011 289 H LYS 42 H LYS 42 -0.665 -21.599 6.745 290 HA LYS 42 HA LYS 42 2.198 -21.945 7.068 291 HB2 LYS 42 1HB LYS 42 0.075 -21.047 9.026 292 HB3 LYS 42 2HB LYS 42 1.805 -21.052 9.344 293 HG2 LYS 42 1HG LYS 42 2.210 -19.284 7.916 294 HG3 LYS 42 2HG LYS 42 0.725 -19.551 7.000 295 HD2 LYS 42 1HD LYS 42 -0.576 -18.447 8.525 296 HD3 LYS 42 2HD LYS 42 0.484 -18.844 9.879 297 HE2 LYS 42 1HE LYS 42 2.165 -17.285 8.589 298 HE3 LYS 42 2HE LYS 42 0.684 -16.638 7.884 299 HZ1 LYS 42 1HZ LYS 42 1.131 -15.339 9.771 300 HZ2 LYS 42 2HZ LYS 42 1.473 -16.684 10.737 301 HZ3 LYS 42 3HZ LYS 42 -0.116 -16.380 10.245 302 H ASP 43 H ASP 43 2.970 -23.065 9.100 303 HA ASP 43 HA ASP 43 1.585 -25.647 9.322 304 HB2 ASP 43 1HB ASP 43 4.460 -24.903 9.896 305 HB3 ASP 43 2HB ASP 43 3.772 -26.505 10.145 306 H THR 44 H THR 44 2.300 -26.730 11.565 307 HA THR 44 HA THR 44 0.903 -25.263 13.562 308 HB THR 44 HB THR 44 0.716 -27.639 13.633 309 HG1 THR 44 1HG THR 44 2.424 -26.844 15.775 310 HG21 THR 44 1HG2 THR 44 3.514 -27.567 13.029 311 HG22 THR 44 2HG2 THR 44 2.402 -28.934 12.970 312 HG23 THR 44 3HG2 THR 44 3.253 -28.552 14.467 313 H GLU 45 H GLU 45 3.943 -24.833 12.435 314 HA GLU 45 HA GLU 45 5.051 -24.103 15.060 315 HB2 GLU 45 1HB GLU 45 6.280 -25.661 13.372 316 HB3 GLU 45 2HB GLU 45 6.650 -24.167 12.522 317 HG2 GLU 45 1HG GLU 45 8.504 -24.395 13.836 318 HG3 GLU 45 2HG GLU 45 7.491 -23.380 14.862 319 H GLY 46 H GLY 46 3.790 -22.831 12.150 320 HA2 GLY 46 1HA GLY 46 3.144 -20.529 12.030 321 HA3 GLY 46 2HA GLY 46 4.520 -20.126 13.046 322 H LYS 47 H LYS 47 4.694 -22.280 10.283 323 HA LYS 47 HA LYS 47 5.968 -20.183 8.685 324 HB2 LYS 47 1HB LYS 47 7.224 -22.885 9.200 325 HB3 LYS 47 2HB LYS 47 7.860 -21.635 8.140 326 HG2 LYS 47 1HG LYS 47 7.455 -21.267 11.097 327 HG3 LYS 47 2HG LYS 47 8.972 -21.798 10.367 328 HD2 LYS 47 1HD LYS 47 9.398 -19.747 9.433 329 HD3 LYS 47 2HD LYS 47 7.688 -19.321 9.327 330 HE2 LYS 47 1HE LYS 47 7.656 -19.105 11.807 331 HE3 LYS 47 2HE LYS 47 9.398 -19.376 11.811 332 HZ1 LYS 47 1HZ LYS 47 9.694 -17.234 11.413 333 HZ2 LYS 47 2HZ LYS 47 8.022 -16.975 11.404 334 HZ3 LYS 47 3HZ LYS 47 8.828 -17.352 9.965 335 H SER 48 H SER 48 6.186 -20.751 6.413 336 HA SER 48 HA SER 48 3.932 -22.370 5.537 337 HB2 SER 48 1HB SER 48 5.661 -20.280 4.279 338 HB3 SER 48 2HB SER 48 4.816 -21.419 3.231 339 HG SER 48 HG SER 48 3.595 -19.810 5.227 340 H TRP 49 H TRP 49 4.086 -24.069 4.051 341 HA TRP 49 HA TRP 49 6.163 -25.879 4.429 342 HB2 TRP 49 1HB TRP 49 5.212 -26.882 2.205 343 HB3 TRP 49 2HB TRP 49 4.213 -26.864 3.656 344 HD1 TRP 49 HD TRP 49 2.068 -25.309 3.651 345 HE1 TRP 49 1HE TRP 49 0.822 -24.058 1.779 346 HE3 TRP 49 3HE TRP 49 5.612 -25.605 -0.021 347 HZ2 TRP 49 2HZ TRP 49 1.280 -23.298 -0.901 348 HZ3 TRP 49 3HZ TRP 49 5.130 -24.591 -2.210 349 HH2 TRP 49 HH TRP 49 3.008 -23.463 -2.639 350 H CYS 50 H CYS 50 5.801 -23.309 2.094 351 HA CYS 50 HA CYS 50 8.058 -24.198 0.509 352 HB2 CYS 50 1HB CYS 50 6.304 -23.160 -0.727 353 HB3 CYS 50 2HB CYS 50 6.256 -21.783 0.367 354 HG CYS 50 HG CYS 50 7.326 -21.073 -2.172 355 HA PRO 51 HA PRO 51 11.118 -22.078 2.871 356 HB2 PRO 51 1HB PRO 51 13.074 -21.993 0.990 357 HB3 PRO 51 2HB PRO 51 12.638 -23.471 1.856 358 HG2 PRO 51 1HG PRO 51 11.830 -22.572 -0.883 359 HG3 PRO 51 2HG PRO 51 12.335 -24.182 -0.338 360 HD2 PRO 51 1HD PRO 51 9.736 -23.518 -0.709 361 HD3 PRO 51 2HD PRO 51 10.258 -24.677 0.530 362 H ASP 52 H ASP 52 10.329 -20.954 -0.391 363 HA ASP 52 HA ASP 52 11.582 -18.446 -0.245 364 HB2 ASP 52 1HB ASP 52 9.165 -19.331 -1.832 365 HB3 ASP 52 2HB ASP 52 10.005 -17.802 -2.073 366 H CYS 53 H CYS 53 8.197 -19.357 0.378 367 HA CYS 53 HA CYS 53 7.141 -16.908 1.015 368 HB2 CYS 53 1HB CYS 53 6.579 -19.632 2.183 369 HB3 CYS 53 2HB CYS 53 5.635 -18.211 2.613 370 HG CYS 53 HG CYS 53 5.773 -19.833 -0.375 371 H VAL 54 H VAL 54 9.105 -19.015 3.045 372 HA VAL 54 HA VAL 54 8.806 -17.465 5.420 373 HB VAL 54 HB VAL 54 10.990 -19.431 4.717 374 HG11 VAL 54 1HG1 VAL 54 11.364 -19.600 7.097 375 HG12 VAL 54 2HG1 VAL 54 11.516 -17.915 6.596 376 HG13 VAL 54 3HG1 VAL 54 10.053 -18.465 7.415 377 HG21 VAL 54 1HG2 VAL 54 9.593 -21.120 5.143 378 HG22 VAL 54 2HG2 VAL 54 8.928 -20.319 6.566 379 HG23 VAL 54 3HG2 VAL 54 8.291 -19.944 4.965 380 H GLU 55 H GLU 55 11.195 -17.588 2.823 381 HA GLU 55 HA GLU 55 12.897 -15.628 4.087 382 HB2 GLU 55 1HB GLU 55 13.747 -17.480 2.614 383 HB3 GLU 55 2HB GLU 55 13.017 -16.649 1.248 384 HG2 GLU 55 1HG GLU 55 14.448 -14.737 1.596 385 HG3 GLU 55 2HG GLU 55 15.130 -15.479 3.042 386 H ALA 56 H ALA 56 10.081 -15.538 2.253 387 HA ALA 56 HA ALA 56 10.662 -12.911 1.101 388 HB1 ALA 56 1HB ALA 56 8.923 -13.241 -0.366 389 HB2 ALA 56 2HB ALA 56 9.469 -14.898 -0.109 390 HB3 ALA 56 3HB ALA 56 8.046 -14.297 0.741 391 H GLU 57 H GLU 57 8.629 -14.485 3.494 392 HA GLU 57 HA GLU 57 6.749 -12.600 4.076 393 HB2 GLU 57 1HB GLU 57 7.538 -14.891 5.269 394 HB3 GLU 57 2HB GLU 57 8.125 -13.723 6.444 395 HG2 GLU 57 1HG GLU 57 5.338 -13.447 5.460 396 HG3 GLU 57 2HG GLU 57 5.705 -14.747 6.592 397 HA PRO 58 HA PRO 58 9.913 -10.230 6.883 398 HB2 PRO 58 1HB PRO 58 12.540 -10.773 6.468 399 HB3 PRO 58 2HB PRO 58 11.552 -11.649 7.643 400 HG2 PRO 58 1HG PRO 58 12.338 -12.441 4.865 401 HG3 PRO 58 2HG PRO 58 12.301 -13.424 6.340 402 HD2 PRO 58 1HD PRO 58 10.339 -13.520 4.477 403 HD3 PRO 58 2HD PRO 58 10.026 -13.766 6.207 404 H VAL 59 H VAL 59 10.780 -11.064 3.583 405 HA VAL 59 HA VAL 59 12.097 -8.590 3.008 406 HB VAL 59 HB VAL 59 10.914 -10.536 1.027 407 HG11 VAL 59 1HG1 VAL 59 12.802 -8.234 0.852 408 HG12 VAL 59 2HG1 VAL 59 12.988 -9.589 -0.262 409 HG13 VAL 59 3HG1 VAL 59 11.474 -8.685 -0.217 410 HG21 VAL 59 1HG2 VAL 59 12.811 -11.843 1.124 411 HG22 VAL 59 2HG2 VAL 59 13.790 -10.561 1.836 412 HG23 VAL 59 3HG2 VAL 59 12.599 -11.411 2.820 413 H ILE 60 H ILE 60 8.819 -9.688 3.003 414 HA ILE 60 HA ILE 60 7.915 -7.409 1.417 415 HB ILE 60 HB ILE 60 6.325 -9.674 2.628 416 HG12 ILE 60 1HG1 ILE 60 7.398 -9.187 -0.152 417 HG13 ILE 60 2HG1 ILE 60 7.723 -10.558 0.904 418 HG21 ILE 60 1HG2 ILE 60 4.430 -8.719 1.896 419 HG22 ILE 60 2HG2 ILE 60 5.372 -7.229 1.932 420 HG23 ILE 60 3HG2 ILE 60 5.185 -8.117 0.420 421 HD11 ILE 60 1HD1 ILE 60 6.197 -11.560 -0.398 422 HD12 ILE 60 2HD1 ILE 60 5.052 -10.757 0.676 423 HD13 ILE 60 3HD1 ILE 60 5.451 -10.038 -0.883 424 H ARG 61 H ARG 61 7.246 -8.852 4.608 425 HA ARG 61 HA ARG 61 5.610 -6.864 5.624 426 HB2 ARG 61 1HB ARG 61 6.389 -9.167 6.617 427 HB3 ARG 61 2HB ARG 61 7.619 -8.187 7.404 428 HG2 ARG 61 1HG ARG 61 6.089 -7.074 8.715 429 HG3 ARG 61 2HG ARG 61 4.752 -7.394 7.609 430 HD2 ARG 61 1HD ARG 61 4.402 -9.505 8.425 431 HD3 ARG 61 2HD ARG 61 6.083 -9.707 8.920 432 HE ARG 61 HE ARG 61 3.943 -8.714 10.512 433 HH11 ARG 61 2HH1 ARG 61 7.364 -8.414 9.941 434 HH12 ARG 61 1HH1 ARG 61 7.718 -7.880 11.550 435 HH21 ARG 61 2HH2 ARG 61 4.396 -8.011 12.634 436 HH22 ARG 61 1HH2 ARG 61 6.029 -7.652 13.082 437 H GLU 62 H GLU 62 9.049 -6.870 5.152 438 HA GLU 62 HA GLU 62 9.570 -4.632 6.877 439 HB2 GLU 62 1HB GLU 62 11.213 -6.071 4.800 440 HB3 GLU 62 2HB GLU 62 11.808 -4.651 5.649 441 HG2 GLU 62 1HG GLU 62 10.806 -7.060 7.122 442 HG3 GLU 62 2HG GLU 62 12.468 -6.943 6.546 443 H GLY 63 H GLY 63 9.572 -5.086 3.337 444 HA2 GLY 63 1HA GLY 63 10.025 -2.432 2.622 445 HA3 GLY 63 2HA GLY 63 9.176 -3.607 1.628 446 H LEU 64 H LEU 64 7.045 -4.021 3.576 447 HA LEU 64 HA LEU 64 5.176 -2.192 2.658 448 HB2 LEU 64 1HB LEU 64 5.275 -4.037 5.004 449 HB3 LEU 64 2HB LEU 64 3.931 -2.908 4.840 450 HG LEU 64 HG LEU 64 4.667 -4.859 2.672 451 HD11 LEU 64 1HD1 LEU 64 3.956 -5.714 5.123 452 HD12 LEU 64 2HD1 LEU 64 3.515 -6.540 3.630 453 HD13 LEU 64 3HD1 LEU 64 2.364 -5.455 4.409 454 HD21 LEU 64 1HD2 LEU 64 3.236 -2.877 2.150 455 HD22 LEU 64 2HD2 LEU 64 2.054 -3.498 3.303 456 HD23 LEU 64 3HD2 LEU 64 2.461 -4.436 1.865 457 H LYS 65 H LYS 65 7.405 -1.954 5.315 458 HA LYS 65 HA LYS 65 6.131 0.190 6.678 459 HB2 LYS 65 1HB LYS 65 8.811 -1.106 6.757 460 HB3 LYS 65 2HB LYS 65 8.661 0.500 7.458 461 HG2 LYS 65 1HG LYS 65 6.653 -1.539 8.236 462 HG3 LYS 65 2HG LYS 65 8.290 -1.696 8.879 463 HD2 LYS 65 1HD LYS 65 6.808 0.909 9.018 464 HD3 LYS 65 2HD LYS 65 6.564 -0.347 10.234 465 HE2 LYS 65 1HE LYS 65 8.927 -0.322 10.773 466 HE3 LYS 65 2HE LYS 65 9.231 0.854 9.495 467 HZ1 LYS 65 1HZ LYS 65 7.253 1.573 11.513 468 HZ2 LYS 65 2HZ LYS 65 8.390 2.541 10.719 469 HZ3 LYS 65 3HZ LYS 65 8.871 1.555 12.006 470 H HIS 66 H HIS 66 8.358 -0.012 3.994 471 HA HIS 66 HA HIS 66 9.021 2.783 4.006 472 HB2 HIS 66 1HB HIS 66 9.399 0.703 1.842 473 HB3 HIS 66 2HB HIS 66 10.126 2.307 1.862 474 HD1 HIS 66 1HD HIS 66 12.402 2.416 2.824 475 HD2 HIS 66 2HD HIS 66 10.305 -0.904 4.181 476 HE1 HIS 66 1HE HIS 66 14.036 1.116 4.226 477 HE2 HIS 66 2HE HIS 66 12.770 -0.932 4.966 478 H VAL 67 H VAL 67 6.207 1.301 3.393 479 HA VAL 67 HA VAL 67 5.365 2.360 0.919 480 HB VAL 67 HB VAL 67 4.231 0.536 2.300 481 HG11 VAL 67 1HG1 VAL 67 4.117 2.282 4.283 482 HG12 VAL 67 2HG1 VAL 67 2.574 2.678 3.525 483 HG13 VAL 67 3HG1 VAL 67 2.889 1.033 4.079 484 HG21 VAL 67 1HG2 VAL 67 2.330 0.787 1.068 485 HG22 VAL 67 2HG2 VAL 67 2.166 2.499 1.462 486 HG23 VAL 67 3HG2 VAL 67 3.345 1.980 0.257 487 H THR 68 H THR 68 4.172 4.188 0.409 488 HA THR 68 HA THR 68 4.154 6.300 2.468 489 HB THR 68 HB THR 68 4.572 7.954 0.789 490 HG1 THR 68 1HG THR 68 3.382 6.966 -0.922 491 HG21 THR 68 1HG2 THR 68 6.376 5.722 1.184 492 HG22 THR 68 2HG2 THR 68 6.724 7.450 1.114 493 HG23 THR 68 3HG2 THR 68 6.645 6.504 -0.373 494 H GLU 69 H GLU 69 2.039 4.366 1.787 495 HA GLU 69 HA GLU 69 -0.101 6.294 1.428 496 HB2 GLU 69 1HB GLU 69 -1.220 4.920 -0.310 497 HB3 GLU 69 2HB GLU 69 0.287 5.638 -0.862 498 HG2 GLU 69 1HG GLU 69 1.345 3.385 -0.203 499 HG3 GLU 69 2HG GLU 69 -0.311 2.782 -0.216 500 H ASP 70 H ASP 70 -1.426 5.927 3.066 501 HA ASP 70 HA ASP 70 -1.419 3.843 4.822 502 HB2 ASP 70 1HB ASP 70 -3.952 4.445 5.114 503 HB3 ASP 70 2HB ASP 70 -2.716 5.632 5.518 504 H CYS 71 H CYS 71 -1.333 1.774 4.128 505 HA CYS 71 HA CYS 71 -3.601 0.811 2.511 506 HB2 CYS 71 1HB CYS 71 -2.192 -0.755 1.418 507 HB3 CYS 71 2HB CYS 71 -1.325 0.776 1.382 508 HG CYS 71 HG CYS 71 0.821 -0.462 2.094 509 H VAL 72 H VAL 72 -3.827 -1.674 2.784 510 HA VAL 72 HA VAL 72 -3.443 -2.399 5.611 511 HB VAL 72 HB VAL 72 -5.958 -2.911 4.016 512 HG11 VAL 72 1HG1 VAL 72 -5.795 -4.697 5.490 513 HG12 VAL 72 2HG1 VAL 72 -5.051 -3.716 6.754 514 HG13 VAL 72 3HG1 VAL 72 -6.767 -3.533 6.389 515 HG21 VAL 72 1HG2 VAL 72 -6.463 -0.805 4.575 516 HG22 VAL 72 2HG2 VAL 72 -6.654 -1.422 6.216 517 HG23 VAL 72 3HG2 VAL 72 -5.126 -0.694 5.720 518 H PHE 73 H PHE 73 -1.992 -4.001 5.502 519 HA PHE 73 HA PHE 73 -1.680 -5.768 3.330 520 HB2 PHE 73 1HB PHE 73 0.062 -5.217 5.065 521 HB3 PHE 73 2HB PHE 73 -0.808 -6.265 6.180 522 HD1 PHE 73 2HD PHE 73 0.350 -6.480 2.634 523 HD2 PHE 73 1HD PHE 73 0.160 -8.313 6.471 524 HE1 PHE 73 2HE PHE 73 1.585 -8.421 1.763 525 HE2 PHE 73 1HE PHE 73 1.396 -10.257 5.606 526 HZ PHE 73 HZ PHE 73 2.109 -10.314 3.250 527 H ILE 74 H ILE 74 -2.385 -7.831 2.963 528 HA ILE 74 HA ILE 74 -4.233 -9.012 4.918 529 HB ILE 74 HB ILE 74 -4.783 -8.938 1.951 530 HG12 ILE 74 1HG1 ILE 74 -5.968 -7.303 4.202 531 HG13 ILE 74 2HG1 ILE 74 -5.038 -6.699 2.836 532 HG21 ILE 74 1HG2 ILE 74 -6.975 -9.507 3.785 533 HG22 ILE 74 2HG2 ILE 74 -6.471 -10.353 2.323 534 HG23 ILE 74 3HG2 ILE 74 -5.677 -10.698 3.859 535 HD11 ILE 74 1HD1 ILE 74 -7.815 -7.829 2.835 536 HD12 ILE 74 2HD1 ILE 74 -7.285 -6.213 2.365 537 HD13 ILE 74 3HD1 ILE 74 -6.876 -7.603 1.359 538 H TYR 75 H TYR 75 -2.847 -10.626 5.524 539 HA TYR 75 HA TYR 75 -1.384 -12.190 3.616 540 HB2 TYR 75 1HB TYR 75 -0.722 -11.715 6.041 541 HB3 TYR 75 2HB TYR 75 -1.902 -12.941 6.490 542 HD1 TYR 75 1HD TYR 75 -1.628 -15.228 5.132 543 HD2 TYR 75 2HD TYR 75 1.469 -12.386 5.795 544 HE1 TYR 75 1HE TYR 75 0.054 -16.986 4.771 545 HE2 TYR 75 2HE TYR 75 3.159 -14.136 5.434 546 HH TYR 75 HH TYR 75 2.241 -17.405 4.455 547 H CYS 76 H CYS 76 -2.917 -13.067 2.217 548 HA CYS 76 HA CYS 76 -4.933 -14.856 3.348 549 HB2 CYS 76 1HB CYS 76 -5.779 -13.374 1.661 550 HB3 CYS 76 2HB CYS 76 -4.484 -13.807 0.552 551 HG CYS 76 HG CYS 76 -5.436 -16.197 -0.195 552 H GLN 77 H GLN 77 -4.602 -16.968 3.489 553 HA GLN 77 HA GLN 77 -2.284 -18.136 2.164 554 HB2 GLN 77 1HB GLN 77 -4.167 -19.286 4.231 555 HB3 GLN 77 2HB GLN 77 -2.732 -20.092 3.610 556 HG2 GLN 77 1HG GLN 77 -1.288 -18.608 4.673 557 HG3 GLN 77 2HG GLN 77 -2.553 -17.404 4.913 558 HE21 GLN 77 1HE2 GLN 77 -3.900 -17.560 6.656 559 HE22 GLN 77 2HE2 GLN 77 -3.669 -18.696 7.936 560 H VAL 78 H VAL 78 -2.535 -18.987 0.215 561 HA VAL 78 HA VAL 78 -4.922 -19.483 -1.092 562 HB VAL 78 HB VAL 78 -3.624 -20.882 -2.665 563 HG11 VAL 78 1HG1 VAL 78 -3.324 -18.168 -2.111 564 HG12 VAL 78 2HG1 VAL 78 -1.684 -18.766 -2.368 565 HG13 VAL 78 3HG1 VAL 78 -2.914 -18.999 -3.612 566 HG21 VAL 78 1HG2 VAL 78 -2.134 -22.090 -1.322 567 HG22 VAL 78 2HG2 VAL 78 -1.107 -20.960 -2.204 568 HG23 VAL 78 3HG2 VAL 78 -1.533 -20.637 -0.524 569 H GLY 79 H GLY 79 -2.794 -21.864 0.500 570 HA2 GLY 79 1HA GLY 79 -4.645 -23.368 1.798 571 HA3 GLY 79 2HA GLY 79 -4.725 -23.978 0.152 572 H ASP 80 H ASP 80 -3.940 -26.010 0.650 573 HA ASP 80 HA ASP 80 -1.435 -26.320 2.047 574 HB2 ASP 80 1HB ASP 80 -2.871 -28.476 0.509 575 HB3 ASP 80 2HB ASP 80 -1.802 -28.652 1.898 576 H LYS 81 H LYS 81 0.183 -27.925 0.963 577 HA LYS 81 HA LYS 81 1.395 -26.589 -1.180 578 HB2 LYS 81 1HB LYS 81 2.946 -27.824 -0.047 579 HB3 LYS 81 2HB LYS 81 1.830 -29.150 0.253 580 HG2 LYS 81 1HG LYS 81 2.282 -30.169 -1.752 581 HG3 LYS 81 2HG LYS 81 2.788 -28.665 -2.526 582 HD2 LYS 81 1HD LYS 81 4.814 -29.716 -2.238 583 HD3 LYS 81 2HD LYS 81 4.719 -28.761 -0.757 584 HE2 LYS 81 1HE LYS 81 5.317 -30.815 0.082 585 HE3 LYS 81 2HE LYS 81 3.560 -30.904 0.195 586 HZ1 LYS 81 1HZ LYS 81 4.572 -31.808 -2.333 587 HZ2 LYS 81 2HZ LYS 81 3.491 -32.560 -1.272 588 HZ3 LYS 81 3HZ LYS 81 5.158 -32.719 -1.033 589 HA PRO 82 HA PRO 82 -0.184 -30.160 -4.027 590 HB2 PRO 82 1HB PRO 82 -2.059 -31.833 -3.000 591 HB3 PRO 82 2HB PRO 82 -0.323 -32.134 -2.859 592 HG2 PRO 82 1HG PRO 82 -2.212 -30.964 -0.852 593 HG3 PRO 82 2HG PRO 82 -0.923 -32.157 -0.612 594 HD2 PRO 82 1HD PRO 82 -0.616 -29.538 0.001 595 HD3 PRO 82 2HD PRO 82 0.729 -30.550 -0.565 596 H TYR 83 H TYR 83 -2.362 -28.603 -1.780 597 HA TYR 83 HA TYR 83 -4.678 -28.676 -3.423 598 HB2 TYR 83 1HB TYR 83 -5.182 -28.276 -1.194 599 HB3 TYR 83 2HB TYR 83 -3.853 -27.141 -0.988 600 HD1 TYR 83 2HD TYR 83 -4.053 -24.860 -2.125 601 HD2 TYR 83 1HD TYR 83 -7.349 -27.505 -1.633 602 HE1 TYR 83 2HE TYR 83 -5.604 -22.978 -2.448 603 HE2 TYR 83 1HE TYR 83 -8.909 -25.631 -1.956 604 HH TYR 83 HH TYR 83 -9.052 -23.470 -2.751 605 H TRP 84 H TRP 84 -2.172 -26.229 -2.861 606 HA TRP 84 HA TRP 84 -3.233 -24.187 -4.431 607 HB2 TRP 84 1HB TRP 84 -1.434 -23.503 -3.143 608 HB3 TRP 84 2HB TRP 84 -0.469 -24.919 -3.551 609 HD1 TRP 84 HD TRP 84 1.538 -24.295 -4.989 610 HE1 TRP 84 1HE TRP 84 2.047 -22.547 -6.809 611 HE3 TRP 84 3HE TRP 84 -3.006 -21.960 -5.164 612 HZ2 TRP 84 2HZ TRP 84 0.700 -20.454 -8.141 613 HZ3 TRP 84 3HZ TRP 84 -3.314 -20.094 -6.737 614 HH2 TRP 84 HH TRP 84 -1.498 -19.357 -8.194 615 H LYS 85 H LYS 85 -0.899 -26.717 -5.347 616 HA LYS 85 HA LYS 85 -0.396 -26.087 -7.944 617 HB2 LYS 85 1HB LYS 85 -0.986 -28.873 -6.926 618 HB3 LYS 85 2HB LYS 85 -0.069 -28.472 -8.372 619 HG2 LYS 85 1HG LYS 85 0.844 -27.370 -5.767 620 HG3 LYS 85 2HG LYS 85 1.126 -29.078 -6.113 621 HD2 LYS 85 1HD LYS 85 2.166 -28.351 -8.289 622 HD3 LYS 85 2HD LYS 85 2.073 -26.692 -7.693 623 HE2 LYS 85 1HE LYS 85 3.402 -27.409 -5.708 624 HE3 LYS 85 2HE LYS 85 3.598 -28.987 -6.468 625 HZ1 LYS 85 1HZ LYS 85 5.238 -26.843 -6.798 626 HZ2 LYS 85 2HZ LYS 85 4.306 -26.827 -8.209 627 HZ3 LYS 85 3HZ LYS 85 5.187 -28.210 -7.794 628 H ASP 86 H ASP 86 -3.343 -27.481 -6.644 629 HA ASP 86 HA ASP 86 -4.652 -28.413 -8.840 630 HB2 ASP 86 1HB ASP 86 -5.963 -26.624 -6.787 631 HB3 ASP 86 2HB ASP 86 -6.727 -27.893 -7.741 632 HA PRO 87 HA PRO 87 -4.556 -24.802 -11.493 633 HB2 PRO 87 1HB PRO 87 -5.571 -26.075 -13.665 634 HB3 PRO 87 2HB PRO 87 -3.881 -26.221 -13.170 635 HG2 PRO 87 1HG PRO 87 -6.165 -28.093 -12.684 636 HG3 PRO 87 2HG PRO 87 -4.499 -28.462 -13.165 637 HD2 PRO 87 1HD PRO 87 -5.369 -28.722 -10.614 638 HD3 PRO 87 2HD PRO 87 -3.700 -28.267 -11.012 639 H ASN 88 H ASN 88 -7.176 -26.564 -10.264 640 HA ASN 88 HA ASN 88 -9.154 -24.841 -11.578 641 HB2 ASN 88 1HB ASN 88 -9.618 -27.273 -9.838 642 HB3 ASN 88 2HB ASN 88 -10.833 -26.408 -10.775 643 HD21 ASN 88 1HD2 ASN 88 -9.526 -29.203 -10.769 644 HD22 ASN 88 2HD2 ASN 88 -9.220 -29.490 -12.445 645 H ASN 89 H ASN 89 -7.315 -23.958 -9.443 646 HA ASN 89 HA ASN 89 -8.984 -23.627 -7.102 647 HB2 ASN 89 1HB ASN 89 -6.173 -22.960 -7.837 648 HB3 ASN 89 2HB ASN 89 -6.930 -22.021 -6.554 649 HD21 ASN 89 1HD2 ASN 89 -4.727 -23.632 -6.121 650 HD22 ASN 89 2HD2 ASN 89 -5.186 -24.952 -5.104 651 H ASP 90 H ASP 90 -9.814 -21.676 -6.337 652 HA ASP 90 HA ASP 90 -10.840 -19.917 -8.282 653 HB2 ASP 90 1HB ASP 90 -10.730 -19.841 -5.277 654 HB3 ASP 90 2HB ASP 90 -11.404 -18.497 -6.196 655 H PHE 91 H PHE 91 -7.827 -20.015 -6.704 656 HA PHE 91 HA PHE 91 -7.251 -17.207 -6.831 657 HB2 PHE 91 1HB PHE 91 -5.515 -19.634 -6.364 658 HB3 PHE 91 2HB PHE 91 -4.886 -17.989 -6.370 659 HD1 PHE 91 2HD PHE 91 -5.626 -16.382 -4.639 660 HD2 PHE 91 1HD PHE 91 -6.695 -20.499 -4.505 661 HE1 PHE 91 2HE PHE 91 -6.217 -16.147 -2.263 662 HE2 PHE 91 1HE PHE 91 -7.289 -20.271 -2.128 663 HZ PHE 91 HZ PHE 91 -7.049 -18.093 -1.004 664 H ARG 92 H ARG 92 -6.714 -20.002 -8.879 665 HA ARG 92 HA ARG 92 -5.170 -18.400 -10.775 666 HB2 ARG 92 1HB ARG 92 -5.886 -21.326 -10.986 667 HB3 ARG 92 2HB ARG 92 -4.641 -20.461 -11.878 668 HG2 ARG 92 1HG ARG 92 -3.232 -20.333 -10.027 669 HG3 ARG 92 2HG ARG 92 -4.540 -20.677 -8.893 670 HD2 ARG 92 1HD ARG 92 -4.499 -22.933 -9.320 671 HD3 ARG 92 2HD ARG 92 -3.850 -22.721 -10.946 672 HE ARG 92 HE ARG 92 -2.361 -23.084 -8.541 673 HH11 ARG 92 2HH1 ARG 92 -2.303 -21.556 -11.668 674 HH12 ARG 92 1HH1 ARG 92 -0.574 -21.533 -11.770 675 HH21 ARG 92 2HH2 ARG 92 -0.084 -23.060 -8.663 676 HH22 ARG 92 1HH2 ARG 92 0.687 -22.389 -10.060 677 H GLN 93 H GLN 93 -8.359 -19.302 -10.188 678 HA GLN 93 HA GLN 93 -9.127 -19.135 -13.009 679 HB2 GLN 93 1HB GLN 93 -10.781 -19.831 -10.576 680 HB3 GLN 93 2HB GLN 93 -11.351 -19.859 -12.239 681 HG2 GLN 93 1HG GLN 93 -8.958 -21.474 -11.554 682 HG3 GLN 93 2HG GLN 93 -10.536 -22.039 -11.007 683 HE21 GLN 93 1HE2 GLN 93 -8.423 -22.674 -13.235 684 HE22 GLN 93 2HE2 GLN 93 -9.425 -23.005 -14.603 685 H LYS 94 H LYS 94 -9.807 -17.618 -9.876 686 HA LYS 94 HA LYS 94 -11.249 -15.459 -11.221 687 HB2 LYS 94 1HB LYS 94 -10.849 -15.998 -8.272 688 HB3 LYS 94 2HB LYS 94 -11.865 -14.735 -8.952 689 HG2 LYS 94 1HG LYS 94 -13.060 -16.699 -10.155 690 HG3 LYS 94 2HG LYS 94 -12.293 -17.689 -8.910 691 HD2 LYS 94 1HD LYS 94 -13.770 -15.227 -8.100 692 HD3 LYS 94 2HD LYS 94 -14.686 -16.671 -8.537 693 HE2 LYS 94 1HE LYS 94 -13.231 -17.929 -6.895 694 HE3 LYS 94 2HE LYS 94 -12.643 -16.360 -6.348 695 HZ1 LYS 94 1HZ LYS 94 -14.500 -15.997 -5.202 696 HZ2 LYS 94 2HZ LYS 94 -14.837 -17.642 -5.402 697 HZ3 LYS 94 3HZ LYS 94 -15.505 -16.507 -6.464 698 H LEU 95 H LEU 95 -8.636 -15.804 -8.816 699 HA LEU 95 HA LEU 95 -7.801 -13.080 -9.134 700 HB2 LEU 95 1HB LEU 95 -6.735 -15.454 -7.652 701 HB3 LEU 95 2HB LEU 95 -5.781 -13.979 -7.794 702 HG LEU 95 HG LEU 95 -8.495 -14.220 -6.497 703 HD11 LEU 95 1HD1 LEU 95 -7.252 -15.022 -4.812 704 HD12 LEU 95 2HD1 LEU 95 -6.770 -13.340 -4.596 705 HD13 LEU 95 3HD1 LEU 95 -5.741 -14.440 -5.513 706 HD21 LEU 95 1HD2 LEU 95 -8.011 -11.888 -5.751 707 HD22 LEU 95 2HD2 LEU 95 -8.297 -12.051 -7.483 708 HD23 LEU 95 3HD2 LEU 95 -6.652 -11.866 -6.875 709 H LYS 96 H LYS 96 -7.123 -16.045 -10.715 710 HA LYS 96 HA LYS 96 -5.690 -16.647 -12.377 711 HB2 LYS 96 1HB LYS 96 -5.660 -13.657 -12.817 712 HB3 LYS 96 2HB LYS 96 -5.015 -14.838 -13.949 713 HG2 LYS 96 1HG LYS 96 -7.880 -14.831 -13.040 714 HG3 LYS 96 2HG LYS 96 -7.310 -13.961 -14.467 715 HD2 LYS 96 1HD LYS 96 -6.286 -16.286 -15.103 716 HD3 LYS 96 2HD LYS 96 -7.501 -16.903 -13.982 717 HE2 LYS 96 1HE LYS 96 -7.959 -15.253 -16.462 718 HE3 LYS 96 2HE LYS 96 -8.430 -16.930 -16.189 719 HZ1 LYS 96 1HZ LYS 96 -10.082 -14.886 -15.860 720 HZ2 LYS 96 2HZ LYS 96 -9.457 -14.981 -14.291 721 HZ3 LYS 96 3HZ LYS 96 -10.217 -16.326 -14.982 722 H ILE 97 H ILE 97 -4.443 -16.765 -10.030 723 HA ILE 97 HA ILE 97 -2.091 -15.172 -9.843 724 HB ILE 97 HB ILE 97 -2.764 -17.821 -8.562 725 HG12 ILE 97 1HG1 ILE 97 -4.245 -15.984 -7.897 726 HG13 ILE 97 2HG1 ILE 97 -3.198 -16.456 -6.562 727 HG21 ILE 97 1HG2 ILE 97 -0.415 -17.691 -8.530 728 HG22 ILE 97 2HG2 ILE 97 -0.435 -15.964 -8.176 729 HG23 ILE 97 3HG2 ILE 97 -0.935 -17.123 -6.944 730 HD11 ILE 97 1HD1 ILE 97 -3.543 -13.899 -7.749 731 HD12 ILE 97 2HD1 ILE 97 -2.559 -14.354 -6.357 732 HD13 ILE 97 3HD1 ILE 97 -1.871 -14.411 -7.980 733 H THR 98 H THR 98 0.071 -15.780 -10.216 734 HA THR 98 HA THR 98 0.372 -17.729 -12.387 735 HB THR 98 HB THR 98 1.170 -15.366 -12.722 736 HG1 THR 98 1HG THR 98 2.284 -16.490 -14.129 737 HG21 THR 98 1HG2 THR 98 3.173 -14.611 -11.659 738 HG22 THR 98 2HG2 THR 98 3.407 -16.168 -10.865 739 HG23 THR 98 3HG2 THR 98 2.067 -15.127 -10.387 740 H ALA 99 H ALA 99 1.929 -16.738 -9.347 741 HA ALA 99 HA ALA 99 2.494 -19.433 -8.615 742 HB1 ALA 99 1HB ALA 99 4.990 -17.852 -9.062 743 HB2 ALA 99 2HB ALA 99 4.776 -19.598 -8.925 744 HB3 ALA 99 3HB ALA 99 4.270 -18.760 -10.392 745 H VAL 100 H VAL 100 2.471 -19.516 -6.466 746 HA VAL 100 HA VAL 100 2.535 -17.062 -4.939 747 HB VAL 100 HB VAL 100 1.870 -18.394 -3.042 748 HG11 VAL 100 1HG1 VAL 100 -0.120 -18.086 -4.026 749 HG12 VAL 100 2HG1 VAL 100 0.480 -18.580 -5.611 750 HG13 VAL 100 3HG1 VAL 100 -0.012 -19.798 -4.434 751 HG21 VAL 100 1HG2 VAL 100 3.049 -20.357 -3.022 752 HG22 VAL 100 2HG2 VAL 100 1.492 -20.940 -3.609 753 HG23 VAL 100 3HG2 VAL 100 2.809 -20.649 -4.744 754 HA PRO 101 HA PRO 101 2.750 -16.632 -2.677 755 HB2 PRO 101 1HB PRO 101 4.241 -14.525 -1.834 756 HB3 PRO 101 2HB PRO 101 4.114 -16.037 -0.927 757 HG2 PRO 101 1HG PRO 101 6.287 -15.108 -2.764 758 HG3 PRO 101 2HG PRO 101 6.421 -15.915 -1.191 759 HD2 PRO 101 1HD PRO 101 6.712 -17.236 -3.537 760 HD3 PRO 101 2HD PRO 101 6.028 -18.002 -2.088 761 H THR 102 H THR 102 1.555 -14.935 -3.456 762 HA THR 102 HA THR 102 2.694 -13.445 -5.731 763 HB THR 102 HB THR 102 -0.202 -14.263 -5.452 764 HG1 THR 102 1HG THR 102 2.003 -15.510 -6.678 765 HG21 THR 102 1HG2 THR 102 1.073 -12.332 -7.059 766 HG22 THR 102 2HG2 THR 102 -0.589 -12.909 -7.178 767 HG23 THR 102 3HG2 THR 102 0.684 -13.687 -8.117 768 H LEU 103 H LEU 103 3.012 -11.416 -5.083 769 HA LEU 103 HA LEU 103 1.181 -10.197 -3.160 770 HB2 LEU 103 1HB LEU 103 3.611 -10.038 -2.790 771 HB3 LEU 103 2HB LEU 103 3.768 -9.157 -4.308 772 HG LEU 103 HG LEU 103 2.312 -7.372 -3.319 773 HD11 LEU 103 1HD1 LEU 103 2.795 -8.908 -0.770 774 HD12 LEU 103 2HD1 LEU 103 1.245 -8.737 -1.593 775 HD13 LEU 103 3HD1 LEU 103 2.037 -7.321 -0.903 776 HD21 LEU 103 1HD2 LEU 103 4.199 -6.316 -2.797 777 HD22 LEU 103 2HD2 LEU 103 5.031 -7.853 -3.036 778 HD23 LEU 103 3HD2 LEU 103 4.497 -7.379 -1.422 779 H LEU 104 H LEU 104 -0.632 -9.675 -4.322 780 HA LEU 104 HA LEU 104 -0.309 -8.026 -6.723 781 HB2 LEU 104 1HB LEU 104 -1.827 -9.653 -7.257 782 HB3 LEU 104 2HB LEU 104 -2.478 -9.734 -5.622 783 HG LEU 104 HG LEU 104 -3.526 -7.452 -6.121 784 HD11 LEU 104 1HD1 LEU 104 -3.848 -6.838 -8.391 785 HD12 LEU 104 2HD1 LEU 104 -3.094 -8.323 -8.969 786 HD13 LEU 104 3HD1 LEU 104 -2.117 -7.093 -8.168 787 HD21 LEU 104 1HD2 LEU 104 -4.772 -9.568 -5.961 788 HD22 LEU 104 2HD2 LEU 104 -4.477 -9.857 -7.675 789 HD23 LEU 104 3HD2 LEU 104 -5.455 -8.479 -7.168 790 H LYS 105 H LYS 105 -0.594 -5.900 -6.658 791 HA LYS 105 HA LYS 105 -1.493 -4.656 -4.194 792 HB2 LYS 105 1HB LYS 105 0.494 -3.770 -5.305 793 HB3 LYS 105 2HB LYS 105 -0.438 -3.457 -6.763 794 HG2 LYS 105 1HG LYS 105 -1.660 -1.725 -5.729 795 HG3 LYS 105 2HG LYS 105 -1.092 -2.184 -4.122 796 HD2 LYS 105 1HD LYS 105 1.185 -1.538 -4.741 797 HD3 LYS 105 2HD LYS 105 0.624 -1.092 -6.354 798 HE2 LYS 105 1HE LYS 105 -0.587 0.137 -3.903 799 HE3 LYS 105 2HE LYS 105 0.918 0.760 -4.578 800 HZ1 LYS 105 1HZ LYS 105 -1.788 0.815 -5.708 801 HZ2 LYS 105 2HZ LYS 105 -0.472 0.755 -6.769 802 HZ3 LYS 105 3HZ LYS 105 -0.613 2.032 -5.669 803 H TYR 106 H TYR 106 -3.706 -5.109 -4.171 804 HA TYR 106 HA TYR 106 -5.587 -4.958 -6.103 805 HB2 TYR 106 1HB TYR 106 -5.786 -5.293 -3.501 806 HB3 TYR 106 2HB TYR 106 -6.201 -3.582 -3.517 807 HD1 TYR 106 2HD TYR 106 -7.076 -6.485 -5.711 808 HD2 TYR 106 1HD TYR 106 -8.472 -3.277 -3.290 809 HE1 TYR 106 2HE TYR 106 -9.394 -7.059 -6.298 810 HE2 TYR 106 1HE TYR 106 -10.794 -3.843 -3.869 811 HH TYR 106 HH TYR 106 -12.067 -5.007 -5.450 812 H GLY 107 H GLY 107 -5.725 -3.504 -7.691 813 HA2 GLY 107 1HA GLY 107 -6.819 -1.250 -8.016 814 HA3 GLY 107 2HA GLY 107 -5.543 -0.645 -6.969 815 H THR 108 H THR 108 -3.508 -2.393 -8.130 816 HA THR 108 HA THR 108 -3.277 -1.229 -10.824 817 HB THR 108 HB THR 108 -0.894 -0.802 -10.452 818 HG1 THR 108 1HG THR 108 -0.121 -0.951 -8.249 819 HG21 THR 108 1HG2 THR 108 -2.939 0.755 -9.625 820 HG22 THR 108 2HG2 THR 108 -1.246 1.240 -9.540 821 HG23 THR 108 3HG2 THR 108 -2.047 0.582 -8.114 822 HA PRO 109 HA PRO 109 -2.198 -5.284 -12.140 823 HB2 PRO 109 1HB PRO 109 -0.694 -4.689 -14.320 824 HB3 PRO 109 2HB PRO 109 -2.452 -4.505 -14.286 825 HG2 PRO 109 1HG PRO 109 -0.322 -2.432 -13.925 826 HG3 PRO 109 2HG PRO 109 -1.827 -2.339 -14.858 827 HD2 PRO 109 1HD PRO 109 -1.568 -1.242 -12.396 828 HD3 PRO 109 2HD PRO 109 -3.105 -1.903 -12.990 829 H GLN 110 H GLN 110 -0.069 -3.248 -10.670 830 HA GLN 110 HA GLN 110 2.386 -4.633 -11.261 831 HB2 GLN 110 1HB GLN 110 1.579 -2.378 -9.481 832 HB3 GLN 110 2HB GLN 110 3.081 -3.222 -9.131 833 HG2 GLN 110 1HG GLN 110 3.503 -2.811 -11.701 834 HG3 GLN 110 2HG GLN 110 2.365 -1.492 -11.431 835 HE21 GLN 110 1HE2 GLN 110 2.932 -0.450 -9.110 836 HE22 GLN 110 2HE2 GLN 110 4.571 0.086 -9.007 837 H LYS 111 H LYS 111 2.814 -6.581 -10.484 838 HA LYS 111 HA LYS 111 2.130 -7.167 -7.690 839 HB2 LYS 111 1HB LYS 111 1.390 -9.406 -8.268 840 HB3 LYS 111 2HB LYS 111 0.429 -8.218 -9.139 841 HG2 LYS 111 1HG LYS 111 0.834 -9.667 -10.833 842 HG3 LYS 111 2HG LYS 111 2.262 -8.644 -11.001 843 HD2 LYS 111 1HD LYS 111 3.169 -10.775 -11.057 844 HD3 LYS 111 2HD LYS 111 3.352 -10.333 -9.358 845 HE2 LYS 111 1HE LYS 111 2.508 -12.547 -9.396 846 HE3 LYS 111 2HE LYS 111 1.163 -11.504 -8.935 847 HZ1 LYS 111 1HZ LYS 111 0.523 -11.537 -11.348 848 HZ2 LYS 111 2HZ LYS 111 0.333 -13.003 -10.527 849 HZ3 LYS 111 3HZ LYS 111 1.651 -12.779 -11.564 850 H LEU 112 H LEU 112 3.504 -8.660 -6.650 851 HA LEU 112 HA LEU 112 6.061 -9.094 -8.047 852 HB2 LEU 112 1HB LEU 112 5.592 -8.880 -5.079 853 HB3 LEU 112 2HB LEU 112 7.149 -9.014 -5.893 854 HG LEU 112 HG LEU 112 5.262 -6.663 -6.042 855 HD11 LEU 112 1HD1 LEU 112 7.547 -5.710 -5.000 856 HD12 LEU 112 2HD1 LEU 112 7.566 -7.342 -4.333 857 HD13 LEU 112 3HD1 LEU 112 6.192 -6.279 -4.025 858 HD21 LEU 112 1HD2 LEU 112 6.598 -7.137 -8.116 859 HD22 LEU 112 2HD2 LEU 112 8.053 -6.893 -7.149 860 HD23 LEU 112 3HD2 LEU 112 6.906 -5.570 -7.366 861 H VAL 113 H VAL 113 6.489 -11.131 -8.542 862 HA VAL 113 HA VAL 113 4.985 -13.292 -7.343 863 HB VAL 113 HB VAL 113 7.244 -13.856 -9.190 864 HG11 VAL 113 1HG1 VAL 113 5.031 -15.125 -10.130 865 HG12 VAL 113 2HG1 VAL 113 6.153 -15.804 -8.950 866 HG13 VAL 113 3HG1 VAL 113 4.669 -15.020 -8.408 867 HG21 VAL 113 1HG2 VAL 113 6.517 -12.023 -10.400 868 HG22 VAL 113 2HG2 VAL 113 5.546 -13.326 -11.086 869 HG23 VAL 113 3HG2 VAL 113 4.837 -12.229 -9.901 870 H GLU 114 H GLU 114 6.360 -15.379 -6.927 871 HA GLU 114 HA GLU 114 7.575 -15.345 -4.568 872 HB2 GLU 114 1HB GLU 114 8.840 -16.945 -6.783 873 HB3 GLU 114 2HB GLU 114 8.684 -17.372 -5.085 874 HG2 GLU 114 1HG GLU 114 6.174 -17.376 -5.477 875 HG3 GLU 114 2HG GLU 114 6.557 -17.331 -7.197 876 H SER 115 H SER 115 9.562 -15.157 -7.528 877 HA SER 115 HA SER 115 11.961 -14.506 -6.301 878 HB2 SER 115 1HB SER 115 11.341 -15.040 -8.817 879 HB3 SER 115 2HB SER 115 11.321 -13.282 -8.953 880 HG SER 115 HG SER 115 13.397 -13.550 -9.206 881 H GLU 116 H GLU 116 9.388 -12.368 -7.460 882 HA GLU 116 HA GLU 116 10.792 -9.972 -6.743 883 HB2 GLU 116 1HB GLU 116 7.847 -10.311 -7.326 884 HB3 GLU 116 2HB GLU 116 8.763 -8.811 -7.365 885 HG2 GLU 116 1HG GLU 116 10.176 -9.999 -9.173 886 HG3 GLU 116 2HG GLU 116 8.798 -11.092 -9.291 887 H CYS 117 H CYS 117 9.141 -12.297 -4.986 888 HA CYS 117 HA CYS 117 8.145 -10.478 -2.949 889 HB2 CYS 117 1HB CYS 117 8.049 -13.474 -3.279 890 HB3 CYS 117 2HB CYS 117 7.516 -12.677 -1.804 891 HG CYS 117 HG CYS 117 6.186 -12.043 -4.893 892 H CYS 118 H CYS 118 10.979 -12.235 -3.653 893 HA CYS 118 HA CYS 118 11.877 -12.115 -0.859 894 HB2 CYS 118 1HB CYS 118 12.135 -14.304 -1.845 895 HB3 CYS 118 2HB CYS 118 12.966 -13.626 -3.240 896 HG CYS 118 HG CYS 118 14.733 -15.045 -1.494 897 H GLN 119 H GLN 119 11.997 -10.340 -3.649 898 HA GLN 119 HA GLN 119 14.698 -9.314 -3.161 899 HB2 GLN 119 1HB GLN 119 12.823 -9.245 -5.481 900 HB3 GLN 119 2HB GLN 119 13.997 -7.946 -5.317 901 HG2 GLN 119 1HG GLN 119 14.541 -10.092 -6.709 902 HG3 GLN 119 2HG GLN 119 15.777 -9.308 -5.725 903 HE21 GLN 119 1HE2 GLN 119 14.026 -12.152 -6.313 904 HE22 GLN 119 2HE2 GLN 119 14.648 -13.092 -5.005 905 H SER 120 H SER 120 14.305 -8.121 -1.284 906 HA SER 120 HA SER 120 12.287 -6.423 -0.651 907 HB2 SER 120 1HB SER 120 14.325 -4.949 0.298 908 HB3 SER 120 2HB SER 120 13.818 -6.463 1.046 909 HG SER 120 HG SER 120 16.184 -5.911 0.136 910 H SER 121 H SER 121 15.064 -5.653 -2.718 911 HA SER 121 HA SER 121 14.774 -3.000 -3.176 912 HB2 SER 121 1HB SER 121 16.382 -4.716 -4.275 913 HB3 SER 121 2HB SER 121 15.147 -4.837 -5.528 914 HG SER 121 HG SER 121 16.525 -3.244 -6.172 915 H LEU 122 H LEU 122 12.783 -5.572 -4.539 916 HA LEU 122 HA LEU 122 11.211 -3.720 -6.108 917 HB2 LEU 122 1HB LEU 122 10.879 -6.664 -5.552 918 HB3 LEU 122 2HB LEU 122 9.861 -5.731 -6.647 919 HG LEU 122 HG LEU 122 12.814 -5.836 -7.101 920 HD11 LEU 122 1HD1 LEU 122 11.685 -8.176 -6.764 921 HD12 LEU 122 2HD1 LEU 122 12.787 -7.894 -8.111 922 HD13 LEU 122 3HD1 LEU 122 11.044 -7.865 -8.377 923 HD21 LEU 122 1HD2 LEU 122 12.306 -4.910 -9.069 924 HD22 LEU 122 2HD2 LEU 122 10.732 -4.563 -8.355 925 HD23 LEU 122 3HD2 LEU 122 10.954 -6.010 -9.340 926 H VAL 123 H VAL 123 10.839 -5.617 -3.150 927 HA VAL 123 HA VAL 123 8.151 -5.209 -2.631 928 HB VAL 123 HB VAL 123 10.416 -5.316 -0.635 929 HG11 VAL 123 1HG1 VAL 123 7.570 -6.053 -0.062 930 HG12 VAL 123 2HG1 VAL 123 8.870 -5.666 1.066 931 HG13 VAL 123 3HG1 VAL 123 8.124 -4.388 0.106 932 HG21 VAL 123 1HG2 VAL 123 8.856 -7.375 -2.110 933 HG22 VAL 123 2HG2 VAL 123 10.563 -7.353 -1.671 934 HG23 VAL 123 3HG2 VAL 123 9.344 -7.721 -0.451 935 H GLU 124 H GLU 124 10.905 -3.142 -1.753 936 HA GLU 124 HA GLU 124 9.308 -1.167 -0.467 937 HB2 GLU 124 1HB GLU 124 11.308 0.134 -0.321 938 HB3 GLU 124 2HB GLU 124 11.752 -1.545 -0.050 939 HG2 GLU 124 1HG GLU 124 12.759 -1.741 -2.150 940 HG3 GLU 124 2HG GLU 124 11.978 -0.282 -2.756 941 H MET 125 H MET 125 10.278 -1.758 -3.747 942 HA MET 125 HA MET 125 9.823 0.854 -4.760 943 HB2 MET 125 1HB MET 125 11.164 -0.901 -5.917 944 HB3 MET 125 2HB MET 125 9.673 -1.774 -6.246 945 HG2 MET 125 1HG MET 125 9.854 1.059 -7.111 946 HG3 MET 125 2HG MET 125 10.763 -0.151 -8.013 947 HE1 MET 125 1HE MET 125 8.717 -2.805 -8.175 948 HE2 MET 125 2HE MET 125 8.297 -2.259 -9.798 949 HE3 MET 125 3HE MET 125 9.935 -2.026 -9.186 950 H ILE 126 H ILE 126 7.891 -2.100 -5.292 951 HA ILE 126 HA ILE 126 5.664 -1.027 -6.416 952 HB ILE 126 HB ILE 126 6.014 -3.450 -5.974 953 HG12 ILE 126 1HG1 ILE 126 3.333 -2.605 -4.895 954 HG13 ILE 126 2HG1 ILE 126 3.774 -2.327 -6.576 955 HG21 ILE 126 1HG2 ILE 126 5.277 -2.616 -3.185 956 HG22 ILE 126 2HG2 ILE 126 5.070 -4.271 -3.755 957 HG23 ILE 126 3HG2 ILE 126 6.676 -3.544 -3.723 958 HD11 ILE 126 1HD1 ILE 126 4.363 -4.912 -6.434 959 HD12 ILE 126 2HD1 ILE 126 3.134 -4.844 -5.171 960 HD13 ILE 126 3HD1 ILE 126 2.744 -4.323 -6.809 961 H PHE 127 H PHE 127 6.597 -0.868 -3.046 962 HA PHE 127 HA PHE 127 4.072 0.234 -2.189 963 HB2 PHE 127 1HB PHE 127 6.726 -0.123 -0.790 964 HB3 PHE 127 2HB PHE 127 5.312 0.586 -0.017 965 HD1 PHE 127 2HD PHE 127 3.155 -1.120 -1.034 966 HD2 PHE 127 1HD PHE 127 7.067 -2.134 0.300 967 HE1 PHE 127 2HE PHE 127 2.361 -3.368 -0.426 968 HE2 PHE 127 1HE PHE 127 6.280 -4.385 0.909 969 HZ PHE 127 HZ PHE 127 3.924 -5.004 0.547 970 H SER 128 H SER 128 7.399 1.458 -2.515 971 HA SER 128 HA SER 128 7.246 4.004 -1.703 972 HB2 SER 128 1HB SER 128 9.243 3.062 -2.783 973 HB3 SER 128 2HB SER 128 8.440 3.144 -4.351 974 HG SER 128 HG SER 128 8.262 5.468 -3.914 975 H GLU 129 H GLU 129 6.380 3.112 -5.050 976 HA GLU 129 HA GLU 129 4.572 5.439 -5.090 977 HB2 GLU 129 1HB GLU 129 4.896 5.482 -7.534 978 HB3 GLU 129 2HB GLU 129 6.405 5.710 -6.661 979 HG2 GLU 129 1HG GLU 129 5.599 2.994 -7.609 980 HG3 GLU 129 2HG GLU 129 6.350 4.147 -8.711 981 H ASP 130 H ASP 130 2.516 5.205 -5.940 982 HA ASP 130 HA ASP 130 1.135 2.875 -5.484 983 HB2 ASP 130 1HB ASP 130 0.500 5.091 -7.441 984 HB3 ASP 130 2HB ASP 130 -0.639 3.829 -6.977 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.113 26.351 9.004 2 HA2 GLY 1 1HA GLY 1 -7.156 26.513 6.663 3 HA3 GLY 1 2HA GLY 1 -6.113 27.861 7.091 4 H SER 2 H SER 2 -3.827 27.584 6.973 5 HA SER 2 HA SER 2 -2.765 26.612 4.727 6 HB2 SER 2 1HB SER 2 -1.487 27.845 6.466 7 HB3 SER 2 2HB SER 2 -1.380 26.357 7.408 8 HG SER 2 HG SER 2 -0.489 25.578 5.188 9 H GLU 3 H GLU 3 -2.349 24.720 3.765 10 HA GLU 3 HA GLU 3 -2.977 22.273 5.253 11 HB2 GLU 3 1HB GLU 3 -3.225 21.210 3.064 12 HB3 GLU 3 2HB GLU 3 -4.238 22.642 3.188 13 HG2 GLU 3 1HG GLU 3 -2.999 23.826 1.671 14 HG3 GLU 3 2HG GLU 3 -1.530 22.904 1.988 15 H GLY 4 H GLY 4 -0.463 23.594 5.657 16 HA2 GLY 4 1HA GLY 4 1.469 21.925 4.224 17 HA3 GLY 4 2HA GLY 4 1.848 23.307 5.242 18 H ALA 5 H ALA 5 0.661 19.968 5.350 19 HA ALA 5 HA ALA 5 2.208 19.561 7.795 20 HB1 ALA 5 1HB ALA 5 0.093 18.165 8.560 21 HB2 ALA 5 2HB ALA 5 0.260 19.881 8.932 22 HB3 ALA 5 3HB ALA 5 -0.746 19.367 7.579 23 H ALA 6 H ALA 6 3.565 17.999 7.195 24 HA ALA 6 HA ALA 6 2.778 15.972 5.284 25 HB1 ALA 6 1HB ALA 6 4.954 16.618 4.897 26 HB2 ALA 6 2HB ALA 6 5.337 16.741 6.615 27 HB3 ALA 6 3HB ALA 6 5.188 15.156 5.855 28 H THR 7 H THR 7 1.409 14.492 6.117 29 HA THR 7 HA THR 7 1.905 13.384 8.770 30 HB THR 7 HB THR 7 -0.365 12.772 6.869 31 HG1 THR 7 1HG THR 7 -1.446 14.172 8.588 32 HG21 THR 7 1HG2 THR 7 -0.933 12.461 9.673 33 HG22 THR 7 2HG2 THR 7 0.470 11.492 9.223 34 HG23 THR 7 3HG2 THR 7 -1.059 11.278 8.371 35 H MET 8 H MET 8 2.760 11.428 9.133 36 HA MET 8 HA MET 8 4.046 9.991 7.092 37 HB2 MET 8 1HB MET 8 3.282 9.036 9.857 38 HB3 MET 8 2HB MET 8 4.482 8.295 8.806 39 HG2 MET 8 1HG MET 8 6.004 9.995 9.116 40 HG3 MET 8 2HG MET 8 4.766 11.158 9.585 41 HE1 MET 8 1HE MET 8 6.208 11.846 12.302 42 HE2 MET 8 2HE MET 8 4.676 12.042 11.450 43 HE3 MET 8 3HE MET 8 4.703 11.336 13.067 44 H ALA 9 H ALA 9 3.670 7.729 6.490 45 HA ALA 9 HA ALA 9 0.968 7.338 5.640 46 HB1 ALA 9 1HB ALA 9 1.764 5.468 4.439 47 HB2 ALA 9 2HB ALA 9 3.050 6.674 4.365 48 HB3 ALA 9 3HB ALA 9 3.182 5.310 5.476 49 H THR 10 H THR 10 0.102 4.955 5.871 50 HA THR 10 HA THR 10 0.474 3.947 8.589 51 HB THR 10 HB THR 10 -2.027 3.784 8.873 52 HG1 THR 10 1HG THR 10 -2.806 4.173 6.841 53 HG21 THR 10 1HG2 THR 10 -2.289 6.124 9.591 54 HG22 THR 10 2HG2 THR 10 -0.832 6.554 8.694 55 HG23 THR 10 3HG2 THR 10 -0.728 5.461 10.074 56 H PHE 11 H PHE 11 0.554 1.796 8.611 57 HA PHE 11 HA PHE 11 -0.704 0.326 6.390 58 HB2 PHE 11 1HB PHE 11 1.163 -0.977 6.053 59 HB3 PHE 11 2HB PHE 11 1.929 0.533 6.536 60 HD1 PHE 11 2HD PHE 11 2.861 0.780 8.798 61 HD2 PHE 11 1HD PHE 11 1.287 -2.924 7.413 62 HE1 PHE 11 2HE PHE 11 4.013 -0.390 10.630 63 HE2 PHE 11 1HE PHE 11 2.436 -4.100 9.244 64 HZ PHE 11 HZ PHE 11 3.802 -2.833 10.854 65 H GLU 12 H GLU 12 -1.625 -1.673 6.867 66 HA GLU 12 HA GLU 12 -1.838 -2.327 9.732 67 HB2 GLU 12 1HB GLU 12 -3.902 -1.247 8.884 68 HB3 GLU 12 2HB GLU 12 -4.052 -2.522 7.683 69 HG2 GLU 12 1HG GLU 12 -5.531 -2.970 9.517 70 HG3 GLU 12 2HG GLU 12 -4.245 -4.175 9.494 71 H GLU 13 H GLU 13 -1.810 -4.474 10.288 72 HA GLU 13 HA GLU 13 -1.085 -6.325 8.124 73 HB2 GLU 13 1HB GLU 13 0.389 -5.813 10.252 74 HB3 GLU 13 2HB GLU 13 -0.684 -6.979 11.013 75 HG2 GLU 13 1HG GLU 13 -0.056 -8.400 8.871 76 HG3 GLU 13 2HG GLU 13 1.377 -7.375 8.921 77 H VAL 14 H VAL 14 -2.951 -7.213 7.416 78 HA VAL 14 HA VAL 14 -4.825 -8.296 9.405 79 HB VAL 14 HB VAL 14 -5.242 -7.835 6.448 80 HG11 VAL 14 1HG1 VAL 14 -7.049 -9.111 6.610 81 HG12 VAL 14 2HG1 VAL 14 -6.640 -9.477 8.287 82 HG13 VAL 14 3HG1 VAL 14 -7.665 -8.092 7.910 83 HG21 VAL 14 1HG2 VAL 14 -6.997 -6.212 7.740 84 HG22 VAL 14 2HG2 VAL 14 -5.601 -6.138 8.815 85 HG23 VAL 14 3HG2 VAL 14 -5.430 -5.697 7.116 86 H SER 15 H SER 15 -5.429 -10.436 9.398 87 HA SER 15 HA SER 15 -3.885 -12.211 7.622 88 HB2 SER 15 1HB SER 15 -3.012 -12.389 9.877 89 HB3 SER 15 2HB SER 15 -4.635 -12.633 10.524 90 HG SER 15 HG SER 15 -4.654 -14.541 9.061 91 H VAL 16 H VAL 16 -4.959 -13.808 6.588 92 HA VAL 16 HA VAL 16 -7.627 -14.588 7.409 93 HB VAL 16 HB VAL 16 -8.535 -14.181 5.081 94 HG11 VAL 16 1HG1 VAL 16 -9.304 -12.018 5.612 95 HG12 VAL 16 2HG1 VAL 16 -9.000 -12.802 7.163 96 HG13 VAL 16 3HG1 VAL 16 -7.843 -11.635 6.522 97 HG21 VAL 16 1HG2 VAL 16 -6.910 -11.906 4.500 98 HG22 VAL 16 2HG2 VAL 16 -5.880 -13.331 4.636 99 HG23 VAL 16 3HG2 VAL 16 -7.230 -13.324 3.501 100 H LEU 17 H LEU 17 -8.433 -16.440 6.226 101 HA LEU 17 HA LEU 17 -6.354 -17.894 4.735 102 HB2 LEU 17 1HB LEU 17 -6.630 -18.636 7.139 103 HB3 LEU 17 2HB LEU 17 -8.240 -19.191 6.688 104 HG LEU 17 HG LEU 17 -5.775 -20.190 5.290 105 HD11 LEU 17 1HD1 LEU 17 -5.763 -22.093 6.794 106 HD12 LEU 17 2HD1 LEU 17 -7.083 -21.390 7.727 107 HD13 LEU 17 3HD1 LEU 17 -5.508 -20.598 7.695 108 HD21 LEU 17 1HD2 LEU 17 -7.316 -22.160 4.952 109 HD22 LEU 17 2HD2 LEU 17 -7.759 -20.681 4.100 110 HD23 LEU 17 3HD2 LEU 17 -8.615 -21.142 5.573 111 H GLY 18 H GLY 18 -7.085 -18.138 2.729 112 HA2 GLY 18 1HA GLY 18 -8.515 -19.341 1.227 113 HA3 GLY 18 2HA GLY 18 -9.834 -19.123 2.368 114 H PHE 19 H PHE 19 -10.677 -18.534 0.052 115 HA PHE 19 HA PHE 19 -10.070 -15.812 -0.734 116 HB2 PHE 19 1HB PHE 19 -10.526 -17.633 -2.398 117 HB3 PHE 19 2HB PHE 19 -12.195 -17.657 -1.838 118 HD1 PHE 19 2HD PHE 19 -13.456 -15.386 -1.931 119 HD2 PHE 19 1HD PHE 19 -9.932 -16.262 -4.152 120 HE1 PHE 19 2HE PHE 19 -14.014 -13.591 -3.518 121 HE2 PHE 19 1HE PHE 19 -10.484 -14.467 -5.742 122 HZ PHE 19 HZ PHE 19 -12.527 -13.130 -5.427 123 H GLU 20 H GLU 20 -12.752 -17.604 0.708 124 HA GLU 20 HA GLU 20 -14.750 -15.733 0.706 125 HB2 GLU 20 1HB GLU 20 -13.976 -17.695 2.865 126 HB3 GLU 20 2HB GLU 20 -15.458 -16.750 2.913 127 HG2 GLU 20 1HG GLU 20 -16.112 -17.758 0.746 128 HG3 GLU 20 2HG GLU 20 -14.681 -18.783 0.836 129 H GLU 21 H GLU 21 -12.635 -16.204 3.539 130 HA GLU 21 HA GLU 21 -13.308 -13.804 4.794 131 HB2 GLU 21 1HB GLU 21 -10.804 -15.481 4.998 132 HB3 GLU 21 2HB GLU 21 -11.160 -14.127 6.062 133 HG2 GLU 21 1HG GLU 21 -13.016 -16.465 5.751 134 HG3 GLU 21 2HG GLU 21 -11.704 -16.438 6.929 135 H PHE 22 H PHE 22 -10.633 -14.564 2.599 136 HA PHE 22 HA PHE 22 -9.158 -12.264 2.705 137 HB2 PHE 22 1HB PHE 22 -8.298 -13.916 1.300 138 HB3 PHE 22 2HB PHE 22 -9.821 -14.117 0.442 139 HD1 PHE 22 2HD PHE 22 -7.809 -11.066 1.158 140 HD2 PHE 22 1HD PHE 22 -9.400 -13.698 -1.785 141 HE1 PHE 22 2HE PHE 22 -7.002 -9.565 -0.616 142 HE2 PHE 22 1HE PHE 22 -8.595 -12.202 -3.564 143 HZ PHE 22 HZ PHE 22 -7.395 -10.131 -2.981 144 H ASP 23 H ASP 23 -12.016 -12.821 0.662 145 HA ASP 23 HA ASP 23 -12.096 -10.300 -0.542 146 HB2 ASP 23 1HB ASP 23 -13.438 -12.370 -1.164 147 HB3 ASP 23 2HB ASP 23 -14.533 -11.940 0.147 148 H LYS 24 H LYS 24 -13.897 -11.472 2.302 149 HA LYS 24 HA LYS 24 -15.307 -9.243 2.983 150 HB2 LYS 24 1HB LYS 24 -15.119 -11.544 4.166 151 HB3 LYS 24 2HB LYS 24 -13.845 -10.782 5.109 152 HG2 LYS 24 1HG LYS 24 -15.879 -10.637 6.342 153 HG3 LYS 24 2HG LYS 24 -15.469 -9.019 5.767 154 HD2 LYS 24 1HD LYS 24 -17.078 -9.207 3.973 155 HD3 LYS 24 2HD LYS 24 -17.423 -10.880 4.415 156 HE2 LYS 24 1HE LYS 24 -17.884 -8.507 6.216 157 HE3 LYS 24 2HE LYS 24 -19.127 -9.248 5.210 158 HZ1 LYS 24 1HZ LYS 24 -18.704 -9.944 7.725 159 HZ2 LYS 24 2HZ LYS 24 -17.650 -11.032 6.972 160 HZ3 LYS 24 3HZ LYS 24 -19.292 -11.027 6.565 161 H ALA 25 H ALA 25 -11.927 -9.918 3.848 162 HA ALA 25 HA ALA 25 -11.527 -7.495 5.266 163 HB1 ALA 25 1HB ALA 25 -10.079 -9.825 4.844 164 HB2 ALA 25 2HB ALA 25 -9.103 -8.557 4.100 165 HB3 ALA 25 3HB ALA 25 -9.577 -8.426 5.794 166 H VAL 26 H VAL 26 -11.100 -8.442 1.905 167 HA VAL 26 HA VAL 26 -9.648 -6.186 1.046 168 HB VAL 26 HB VAL 26 -11.427 -8.124 -0.414 169 HG11 VAL 26 1HG1 VAL 26 -10.519 -7.100 -2.513 170 HG12 VAL 26 2HG1 VAL 26 -11.675 -6.094 -1.639 171 HG13 VAL 26 3HG1 VAL 26 -9.948 -5.750 -1.533 172 HG21 VAL 26 1HG2 VAL 26 -8.666 -8.038 0.353 173 HG22 VAL 26 2HG2 VAL 26 -9.566 -9.339 -0.427 174 HG23 VAL 26 3HG2 VAL 26 -8.797 -8.089 -1.405 175 H LYS 27 H LYS 27 -13.086 -6.904 0.412 176 HA LYS 27 HA LYS 27 -13.828 -4.420 -0.528 177 HB2 LYS 27 1HB LYS 27 -15.418 -6.452 1.038 178 HB3 LYS 27 2HB LYS 27 -16.140 -5.026 0.305 179 HG2 LYS 27 1HG LYS 27 -14.546 -6.984 -1.310 180 HG3 LYS 27 2HG LYS 27 -16.264 -7.225 -0.982 181 HD2 LYS 27 1HD LYS 27 -15.190 -4.678 -2.170 182 HD3 LYS 27 2HD LYS 27 -15.660 -6.060 -3.163 183 HE2 LYS 27 1HE LYS 27 -17.484 -4.747 -1.157 184 HE3 LYS 27 2HE LYS 27 -17.426 -4.296 -2.860 185 HZ1 LYS 27 1HZ LYS 27 -17.695 -7.011 -2.891 186 HZ2 LYS 27 2HZ LYS 27 -18.928 -5.886 -3.167 187 HZ3 LYS 27 3HZ LYS 27 -18.703 -6.531 -1.619 188 H GLU 28 H GLU 28 -13.181 -5.409 2.729 189 HA GLU 28 HA GLU 28 -14.549 -3.307 4.058 190 HB2 GLU 28 1HB GLU 28 -12.500 -5.331 4.799 191 HB3 GLU 28 2HB GLU 28 -12.656 -3.924 5.841 192 HG2 GLU 28 1HG GLU 28 -14.878 -5.816 5.104 193 HG3 GLU 28 2HG GLU 28 -13.999 -5.799 6.632 194 H HIS 29 H HIS 29 -11.178 -3.729 3.032 195 HA HIS 29 HA HIS 29 -10.669 -0.908 3.672 196 HB2 HIS 29 1HB HIS 29 -8.566 -2.910 2.882 197 HB3 HIS 29 2HB HIS 29 -8.372 -1.414 3.791 198 HD1 HIS 29 1HD HIS 29 -9.577 -1.490 6.261 199 HD2 HIS 29 2HD HIS 29 -8.709 -5.121 4.439 200 HE1 HIS 29 1HE HIS 29 -9.621 -3.196 8.108 201 HE2 HIS 29 2HE HIS 29 -9.008 -5.372 6.996 202 H GLU 30 H GLU 30 -12.147 -1.914 1.304 203 HA GLU 30 HA GLU 30 -10.563 -1.771 -1.011 204 HB2 GLU 30 1HB GLU 30 -12.679 -1.336 -2.200 205 HB3 GLU 30 2HB GLU 30 -12.814 -2.676 -1.070 206 HG2 GLU 30 1HG GLU 30 -14.750 -1.576 -0.616 207 HG3 GLU 30 2HG GLU 30 -13.679 -0.801 0.550 208 H SER 31 H SER 31 -12.025 0.703 0.983 209 HA SER 31 HA SER 31 -11.946 2.887 -0.719 210 HB2 SER 31 1HB SER 31 -12.984 3.024 1.474 211 HB3 SER 31 2HB SER 31 -11.424 2.785 2.262 212 HG SER 31 HG SER 31 -10.757 4.771 1.258 213 H LYS 32 H LYS 32 -9.374 1.560 1.325 214 HA LYS 32 HA LYS 32 -7.465 3.396 0.049 215 HB2 LYS 32 1HB LYS 32 -7.105 1.714 2.535 216 HB3 LYS 32 2HB LYS 32 -5.966 2.897 1.907 217 HG2 LYS 32 1HG LYS 32 -6.966 4.150 3.514 218 HG3 LYS 32 2HG LYS 32 -8.041 4.509 2.161 219 HD2 LYS 32 1HD LYS 32 -9.434 2.525 2.983 220 HD3 LYS 32 2HD LYS 32 -8.486 2.634 4.468 221 HE2 LYS 32 1HE LYS 32 -9.807 5.076 3.363 222 HE3 LYS 32 2HE LYS 32 -10.760 3.899 4.265 223 HZ1 LYS 32 1HZ LYS 32 -8.247 4.991 5.365 224 HZ2 LYS 32 2HZ LYS 32 -9.534 4.265 6.188 225 HZ3 LYS 32 3HZ LYS 32 -9.711 5.820 5.545 226 H THR 33 H THR 33 -5.215 2.409 -0.216 227 HA THR 33 HA THR 33 -5.317 0.364 -2.110 228 HB THR 33 HB THR 33 -2.923 1.193 -0.459 229 HG1 THR 33 1HG THR 33 -2.676 2.808 -1.877 230 HG21 THR 33 1HG2 THR 33 -1.846 0.496 -2.769 231 HG22 THR 33 2HG2 THR 33 -3.280 -0.526 -2.867 232 HG23 THR 33 3HG2 THR 33 -2.164 -0.699 -1.513 233 H ILE 34 H ILE 34 -5.055 -1.814 -2.045 234 HA ILE 34 HA ILE 34 -4.736 -3.040 0.617 235 HB ILE 34 HB ILE 34 -6.449 -3.977 -1.684 236 HG12 ILE 34 1HG1 ILE 34 -7.252 -3.320 1.152 237 HG13 ILE 34 2HG1 ILE 34 -7.302 -2.141 -0.154 238 HG21 ILE 34 1HG2 ILE 34 -5.537 -5.950 -0.806 239 HG22 ILE 34 2HG2 ILE 34 -5.623 -5.354 0.851 240 HG23 ILE 34 3HG2 ILE 34 -7.101 -5.788 -0.008 241 HD11 ILE 34 1HD1 ILE 34 -9.487 -3.122 0.249 242 HD12 ILE 34 2HD1 ILE 34 -8.892 -3.537 -1.358 243 HD13 ILE 34 3HD1 ILE 34 -8.833 -4.729 -0.060 244 H PHE 35 H PHE 35 -3.576 -4.988 0.748 245 HA PHE 35 HA PHE 35 -2.096 -5.787 -1.658 246 HB2 PHE 35 1HB PHE 35 -0.930 -5.083 1.033 247 HB3 PHE 35 2HB PHE 35 -0.062 -6.064 -0.143 248 HD1 PHE 35 2HD PHE 35 0.526 -5.080 -2.359 249 HD2 PHE 35 1HD PHE 35 -1.041 -2.741 0.834 250 HE1 PHE 35 2HE PHE 35 1.344 -3.037 -3.459 251 HE2 PHE 35 1HE PHE 35 -0.226 -0.694 -0.261 252 HZ PHE 35 HZ PHE 35 0.969 -0.840 -2.410 253 H ALA 36 H ALA 36 -2.772 -7.805 -1.994 254 HA ALA 36 HA ALA 36 -3.269 -9.571 0.284 255 HB1 ALA 36 1HB ALA 36 -5.060 -9.839 -1.098 256 HB2 ALA 36 2HB ALA 36 -4.121 -9.529 -2.560 257 HB3 ALA 36 3HB ALA 36 -4.007 -11.093 -1.753 258 H TYR 37 H TYR 37 -1.812 -11.009 0.922 259 HA TYR 37 HA TYR 37 0.392 -11.681 -0.904 260 HB2 TYR 37 1HB TYR 37 1.009 -10.587 1.240 261 HB3 TYR 37 2HB TYR 37 0.294 -11.941 2.109 262 HD1 TYR 37 1HD TYR 37 2.591 -11.685 -0.835 263 HD2 TYR 37 2HD TYR 37 1.927 -13.255 3.064 264 HE1 TYR 37 1HE TYR 37 4.733 -12.888 -0.960 265 HE2 TYR 37 2HE TYR 37 4.067 -14.461 2.949 266 HH TYR 37 HH TYR 37 5.681 -15.086 0.228 267 H PHE 38 H PHE 38 -0.852 -13.300 -1.985 268 HA PHE 38 HA PHE 38 -1.964 -15.517 -0.575 269 HB2 PHE 38 1HB PHE 38 -1.189 -15.498 -3.489 270 HB3 PHE 38 2HB PHE 38 -2.460 -16.433 -2.709 271 HD1 PHE 38 1HD PHE 38 -4.489 -15.239 -1.844 272 HD2 PHE 38 2HD PHE 38 -1.605 -13.355 -4.344 273 HE1 PHE 38 1HE PHE 38 -6.122 -13.485 -2.401 274 HE2 PHE 38 2HE PHE 38 -3.233 -11.597 -4.904 275 HZ PHE 38 HZ PHE 38 -5.495 -11.660 -3.931 276 H SER 39 H SER 39 -0.995 -17.293 0.153 277 HA SER 39 HA SER 39 1.281 -18.465 -1.112 278 HB2 SER 39 1HB SER 39 2.258 -16.516 0.207 279 HB3 SER 39 2HB SER 39 1.776 -17.384 1.664 280 HG SER 39 HG SER 39 3.987 -17.701 0.344 281 H GLY 40 H GLY 40 1.972 -20.456 -0.046 282 HA2 GLY 40 1HA GLY 40 -0.123 -22.086 0.728 283 HA3 GLY 40 2HA GLY 40 1.568 -22.428 1.061 284 H SER 41 H SER 41 -0.648 -23.103 2.732 285 HA SER 41 HA SER 41 -0.867 -21.251 4.885 286 HB2 SER 41 1HB SER 41 -2.006 -23.080 6.068 287 HB3 SER 41 2HB SER 41 -2.614 -22.920 4.420 288 HG SER 41 HG SER 41 -1.886 -24.844 3.979 289 H LYS 42 H LYS 42 -0.297 -21.950 7.173 290 HA LYS 42 HA LYS 42 2.543 -22.547 7.227 291 HB2 LYS 42 1HB LYS 42 0.620 -21.712 9.405 292 HB3 LYS 42 2HB LYS 42 2.344 -21.963 9.647 293 HG2 LYS 42 1HG LYS 42 1.259 -19.997 7.652 294 HG3 LYS 42 2HG LYS 42 1.583 -19.577 9.335 295 HD2 LYS 42 1HD LYS 42 3.932 -20.433 8.967 296 HD3 LYS 42 2HD LYS 42 3.545 -20.504 7.246 297 HE2 LYS 42 1HE LYS 42 3.396 -18.208 7.052 298 HE3 LYS 42 2HE LYS 42 3.055 -17.981 8.766 299 HZ1 LYS 42 1HZ LYS 42 5.277 -18.239 9.323 300 HZ2 LYS 42 2HZ LYS 42 5.352 -17.334 7.896 301 HZ3 LYS 42 3HZ LYS 42 5.676 -18.995 7.863 302 H ASP 43 H ASP 43 3.494 -24.282 8.228 303 HA ASP 43 HA ASP 43 1.957 -26.677 8.392 304 HB2 ASP 43 1HB ASP 43 4.828 -26.005 9.010 305 HB3 ASP 43 2HB ASP 43 4.168 -27.610 9.312 306 H THR 44 H THR 44 2.709 -28.120 10.477 307 HA THR 44 HA THR 44 1.136 -27.118 12.604 308 HB THR 44 HB THR 44 1.273 -29.499 12.277 309 HG1 THR 44 1HG THR 44 1.389 -28.417 14.541 310 HG21 THR 44 1HG2 THR 44 3.167 -30.660 11.938 311 HG22 THR 44 2HG2 THR 44 4.000 -29.865 13.274 312 HG23 THR 44 3HG2 THR 44 3.920 -29.085 11.695 313 H GLU 45 H GLU 45 4.199 -26.280 11.702 314 HA GLU 45 HA GLU 45 5.093 -25.769 14.454 315 HB2 GLU 45 1HB GLU 45 6.536 -26.946 12.600 316 HB3 GLU 45 2HB GLU 45 6.822 -25.299 12.057 317 HG2 GLU 45 1HG GLU 45 8.598 -25.573 13.448 318 HG3 GLU 45 2HG GLU 45 7.422 -24.915 14.584 319 H GLY 46 H GLY 46 3.971 -24.250 11.568 320 HA2 GLY 46 1HA GLY 46 3.041 -22.024 11.741 321 HA3 GLY 46 2HA GLY 46 4.330 -21.627 12.867 322 H LYS 47 H LYS 47 4.889 -23.410 9.911 323 HA LYS 47 HA LYS 47 5.979 -21.012 8.627 324 HB2 LYS 47 1HB LYS 47 8.057 -22.112 8.076 325 HB3 LYS 47 2HB LYS 47 7.830 -22.160 9.819 326 HG2 LYS 47 1HG LYS 47 7.262 -24.452 9.779 327 HG3 LYS 47 2HG LYS 47 7.092 -24.452 8.022 328 HD2 LYS 47 1HD LYS 47 9.170 -25.435 8.333 329 HD3 LYS 47 2HD LYS 47 9.585 -23.747 8.025 330 HE2 LYS 47 1HE LYS 47 9.469 -23.508 10.602 331 HE3 LYS 47 2HE LYS 47 9.614 -25.265 10.607 332 HZ1 LYS 47 1HZ LYS 47 11.785 -24.413 10.787 333 HZ2 LYS 47 2HZ LYS 47 11.548 -23.289 9.546 334 HZ3 LYS 47 3HZ LYS 47 11.642 -24.940 9.186 335 H SER 48 H SER 48 5.743 -20.956 6.446 336 HA SER 48 HA SER 48 3.891 -22.709 5.234 337 HB2 SER 48 1HB SER 48 4.442 -20.267 4.621 338 HB3 SER 48 2HB SER 48 5.781 -20.940 3.691 339 HG SER 48 HG SER 48 4.306 -22.085 2.453 340 H TRP 49 H TRP 49 4.135 -24.431 3.896 341 HA TRP 49 HA TRP 49 6.293 -26.117 4.105 342 HB2 TRP 49 1HB TRP 49 5.414 -27.046 1.832 343 HB3 TRP 49 2HB TRP 49 4.376 -27.119 3.253 344 HD1 TRP 49 HD TRP 49 2.245 -25.493 3.306 345 HE1 TRP 49 1HE TRP 49 0.987 -24.257 1.432 346 HE3 TRP 49 3HE TRP 49 5.749 -25.855 -0.400 347 HZ2 TRP 49 2HZ TRP 49 1.422 -23.531 -1.261 348 HZ3 TRP 49 3HZ TRP 49 5.250 -24.864 -2.596 349 HH2 TRP 49 HH TRP 49 3.130 -23.727 -3.016 350 H CYS 50 H CYS 50 5.719 -23.611 1.683 351 HA CYS 50 HA CYS 50 8.078 -24.252 0.176 352 HB2 CYS 50 1HB CYS 50 7.561 -22.030 -0.950 353 HB3 CYS 50 2HB CYS 50 6.315 -23.267 -1.064 354 HG CYS 50 HG CYS 50 5.650 -20.348 -0.450 355 HA PRO 51 HA PRO 51 11.003 -22.059 2.640 356 HB2 PRO 51 1HB PRO 51 12.965 -21.802 0.782 357 HB3 PRO 51 2HB PRO 51 12.602 -23.331 1.590 358 HG2 PRO 51 1HG PRO 51 11.768 -22.378 -1.122 359 HG3 PRO 51 2HG PRO 51 12.354 -23.977 -0.629 360 HD2 PRO 51 1HD PRO 51 9.726 -23.440 -1.001 361 HD3 PRO 51 2HD PRO 51 10.300 -24.613 0.201 362 H ASP 52 H ASP 52 10.703 -20.864 -0.712 363 HA ASP 52 HA ASP 52 11.668 -18.346 -0.498 364 HB2 ASP 52 1HB ASP 52 10.387 -19.600 -2.452 365 HB3 ASP 52 2HB ASP 52 9.037 -18.622 -1.883 366 H CYS 53 H CYS 53 8.217 -19.095 0.034 367 HA CYS 53 HA CYS 53 7.293 -16.703 0.902 368 HB2 CYS 53 1HB CYS 53 5.833 -18.625 0.708 369 HB3 CYS 53 2HB CYS 53 6.646 -19.426 2.047 370 HG CYS 53 HG CYS 53 5.263 -18.378 3.956 371 H VAL 54 H VAL 54 8.541 -19.182 3.150 372 HA VAL 54 HA VAL 54 8.558 -17.640 5.446 373 HB VAL 54 HB VAL 54 10.564 -19.779 4.720 374 HG11 VAL 54 1HG1 VAL 54 11.229 -18.428 6.652 375 HG12 VAL 54 2HG1 VAL 54 9.675 -18.763 7.418 376 HG13 VAL 54 3HG1 VAL 54 10.816 -20.076 7.125 377 HG21 VAL 54 1HG2 VAL 54 8.243 -20.540 4.481 378 HG22 VAL 54 2HG2 VAL 54 9.055 -21.332 5.832 379 HG23 VAL 54 3HG2 VAL 54 7.910 -20.026 6.135 380 H GLU 55 H GLU 55 10.818 -17.682 2.786 381 HA GLU 55 HA GLU 55 12.690 -15.960 4.217 382 HB2 GLU 55 1HB GLU 55 13.521 -17.851 2.819 383 HB3 GLU 55 2HB GLU 55 12.871 -17.041 1.401 384 HG2 GLU 55 1HG GLU 55 14.361 -15.153 1.782 385 HG3 GLU 55 2HG GLU 55 15.003 -15.945 3.221 386 H ALA 56 H ALA 56 9.940 -15.612 2.388 387 HA ALA 56 HA ALA 56 10.785 -13.035 1.255 388 HB1 ALA 56 1HB ALA 56 9.344 -13.351 -0.441 389 HB2 ALA 56 2HB ALA 56 9.437 -15.044 0.044 390 HB3 ALA 56 3HB ALA 56 8.101 -14.039 0.604 391 H GLU 57 H GLU 57 8.861 -14.469 3.715 392 HA GLU 57 HA GLU 57 6.881 -12.569 4.131 393 HB2 GLU 57 1HB GLU 57 7.584 -14.859 5.375 394 HB3 GLU 57 2HB GLU 57 8.161 -13.690 6.554 395 HG2 GLU 57 1HG GLU 57 5.838 -12.647 6.396 396 HG3 GLU 57 2HG GLU 57 5.364 -14.134 5.577 397 HA PRO 58 HA PRO 58 9.999 -10.223 7.010 398 HB2 PRO 58 1HB PRO 58 12.627 -10.817 6.681 399 HB3 PRO 58 2HB PRO 58 11.589 -11.662 7.835 400 HG2 PRO 58 1HG PRO 58 12.444 -12.499 5.091 401 HG3 PRO 58 2HG PRO 58 12.345 -13.464 6.575 402 HD2 PRO 58 1HD PRO 58 10.439 -13.547 4.653 403 HD3 PRO 58 2HD PRO 58 10.069 -13.768 6.376 404 H VAL 59 H VAL 59 10.404 -10.936 3.694 405 HA VAL 59 HA VAL 59 11.947 -8.522 3.145 406 HB VAL 59 HB VAL 59 10.828 -10.451 1.116 407 HG11 VAL 59 1HG1 VAL 59 11.705 -8.133 0.477 408 HG12 VAL 59 2HG1 VAL 59 13.300 -8.763 0.893 409 HG13 VAL 59 3HG1 VAL 59 12.357 -9.522 -0.391 410 HG21 VAL 59 1HG2 VAL 59 12.495 -11.260 3.071 411 HG22 VAL 59 2HG2 VAL 59 12.510 -11.925 1.437 412 HG23 VAL 59 3HG2 VAL 59 13.665 -10.671 1.889 413 H ILE 60 H ILE 60 8.687 -9.692 3.038 414 HA ILE 60 HA ILE 60 7.791 -7.421 1.434 415 HB ILE 60 HB ILE 60 6.218 -9.738 2.565 416 HG12 ILE 60 1HG1 ILE 60 7.344 -9.175 -0.180 417 HG13 ILE 60 2HG1 ILE 60 7.697 -10.546 0.866 418 HG21 ILE 60 1HG2 ILE 60 4.904 -8.477 0.397 419 HG22 ILE 60 2HG2 ILE 60 4.381 -8.597 2.076 420 HG23 ILE 60 3HG2 ILE 60 5.358 -7.225 1.553 421 HD11 ILE 60 1HD1 ILE 60 4.947 -10.633 0.487 422 HD12 ILE 60 2HD1 ILE 60 5.616 -10.215 -1.090 423 HD13 ILE 60 3HD1 ILE 60 6.162 -11.671 -0.258 424 H ARG 61 H ARG 61 7.455 -8.769 4.683 425 HA ARG 61 HA ARG 61 5.587 -6.893 5.650 426 HB2 ARG 61 1HB ARG 61 6.523 -9.161 6.654 427 HB3 ARG 61 2HB ARG 61 7.627 -8.071 7.481 428 HG2 ARG 61 1HG ARG 61 4.622 -8.062 7.633 429 HG3 ARG 61 2HG ARG 61 5.755 -8.522 8.905 430 HD2 ARG 61 1HD ARG 61 6.675 -6.094 8.525 431 HD3 ARG 61 2HD ARG 61 5.068 -5.817 7.852 432 HE ARG 61 HE ARG 61 4.220 -5.871 9.973 433 HH11 ARG 61 2HH1 ARG 61 7.386 -7.318 9.989 434 HH12 ARG 61 1HH1 ARG 61 7.452 -7.466 11.714 435 HH21 ARG 61 2HH2 ARG 61 4.295 -6.060 12.244 436 HH22 ARG 61 1HH2 ARG 61 5.694 -6.750 12.996 437 H GLU 62 H GLU 62 9.117 -6.913 5.572 438 HA GLU 62 HA GLU 62 9.516 -4.618 7.161 439 HB2 GLU 62 1HB GLU 62 11.206 -5.950 5.051 440 HB3 GLU 62 2HB GLU 62 11.749 -4.528 5.929 441 HG2 GLU 62 1HG GLU 62 10.812 -6.947 7.409 442 HG3 GLU 62 2HG GLU 62 12.444 -6.876 6.748 443 H GLY 63 H GLY 63 9.588 -4.986 3.610 444 HA2 GLY 63 1HA GLY 63 9.920 -2.312 2.946 445 HA3 GLY 63 2HA GLY 63 9.104 -3.494 1.933 446 H LEU 64 H LEU 64 7.008 -4.005 3.911 447 HA LEU 64 HA LEU 64 5.130 -2.096 3.050 448 HB2 LEU 64 1HB LEU 64 5.141 -4.270 5.092 449 HB3 LEU 64 2HB LEU 64 3.805 -3.120 5.070 450 HG LEU 64 HG LEU 64 4.563 -4.592 2.576 451 HD11 LEU 64 1HD1 LEU 64 2.481 -6.036 3.592 452 HD12 LEU 64 2HD1 LEU 64 3.468 -5.749 5.024 453 HD13 LEU 64 3HD1 LEU 64 4.173 -6.534 3.611 454 HD21 LEU 64 1HD2 LEU 64 2.906 -2.642 2.722 455 HD22 LEU 64 2HD2 LEU 64 1.840 -3.783 3.542 456 HD23 LEU 64 3HD2 LEU 64 2.382 -4.109 1.895 457 H LYS 65 H LYS 65 7.454 -1.965 5.512 458 HA LYS 65 HA LYS 65 6.012 -0.070 7.168 459 HB2 LYS 65 1HB LYS 65 8.861 -1.074 7.293 460 HB3 LYS 65 2HB LYS 65 8.130 0.007 8.472 461 HG2 LYS 65 1HG LYS 65 6.495 -1.716 9.042 462 HG3 LYS 65 2HG LYS 65 7.228 -2.801 7.858 463 HD2 LYS 65 1HD LYS 65 8.176 -3.465 9.886 464 HD3 LYS 65 2HD LYS 65 9.408 -2.425 9.167 465 HE2 LYS 65 1HE LYS 65 8.345 -0.534 10.513 466 HE3 LYS 65 2HE LYS 65 7.497 -1.799 11.400 467 HZ1 LYS 65 1HZ LYS 65 10.186 -2.512 11.289 468 HZ2 LYS 65 2HZ LYS 65 9.292 -2.046 12.646 469 HZ3 LYS 65 3HZ LYS 65 10.131 -0.885 11.747 470 H HIS 66 H HIS 66 8.145 -0.026 4.478 471 HA HIS 66 HA HIS 66 8.799 2.801 4.897 472 HB2 HIS 66 1HB HIS 66 9.842 0.829 2.853 473 HB3 HIS 66 2HB HIS 66 10.375 2.500 3.014 474 HD1 HIS 66 1HD HIS 66 12.126 2.997 4.762 475 HD2 HIS 66 2HD HIS 66 10.634 -0.872 5.023 476 HE1 HIS 66 1HE HIS 66 13.611 1.814 6.411 477 HE2 HIS 66 2HE HIS 66 12.742 -0.548 6.488 478 H VAL 67 H VAL 67 6.188 1.450 3.913 479 HA VAL 67 HA VAL 67 5.797 2.252 1.229 480 HB VAL 67 HB VAL 67 4.373 0.605 2.495 481 HG11 VAL 67 1HG1 VAL 67 2.406 2.397 3.456 482 HG12 VAL 67 2HG1 VAL 67 3.369 1.235 4.371 483 HG13 VAL 67 3HG1 VAL 67 3.952 2.885 4.149 484 HG21 VAL 67 1HG2 VAL 67 3.797 2.032 0.330 485 HG22 VAL 67 2HG2 VAL 67 2.639 0.912 1.048 486 HG23 VAL 67 3HG2 VAL 67 2.519 2.639 1.384 487 H THR 68 H THR 68 4.373 3.959 0.469 488 HA THR 68 HA THR 68 4.343 6.317 2.236 489 HB THR 68 HB THR 68 5.019 7.763 0.502 490 HG1 THR 68 1HG THR 68 5.160 5.739 -1.443 491 HG21 THR 68 1HG2 THR 68 7.107 7.082 0.926 492 HG22 THR 68 2HG2 THR 68 6.989 6.109 -0.540 493 HG23 THR 68 3HG2 THR 68 6.611 5.393 1.027 494 H GLU 69 H GLU 69 2.195 4.514 1.885 495 HA GLU 69 HA GLU 69 0.147 6.350 1.103 496 HB2 GLU 69 1HB GLU 69 -0.792 5.187 -0.740 497 HB3 GLU 69 2HB GLU 69 0.922 5.360 -1.091 498 HG2 GLU 69 1HG GLU 69 1.258 3.040 -0.254 499 HG3 GLU 69 2HG GLU 69 -0.493 2.892 -0.118 500 H ASP 70 H ASP 70 -1.417 6.060 2.533 501 HA ASP 70 HA ASP 70 -1.539 4.089 4.442 502 HB2 ASP 70 1HB ASP 70 -3.994 4.726 4.647 503 HB3 ASP 70 2HB ASP 70 -2.834 6.046 4.780 504 H CYS 71 H CYS 71 -1.269 2.017 3.677 505 HA CYS 71 HA CYS 71 -3.480 0.948 2.048 506 HB2 CYS 71 1HB CYS 71 -1.953 -0.695 1.139 507 HB3 CYS 71 2HB CYS 71 -1.274 0.911 0.902 508 HG CYS 71 HG CYS 71 0.972 -0.314 1.549 509 H VAL 72 H VAL 72 -3.652 -1.534 2.373 510 HA VAL 72 HA VAL 72 -3.297 -2.211 5.213 511 HB VAL 72 HB VAL 72 -5.817 -2.769 3.643 512 HG11 VAL 72 1HG1 VAL 72 -6.578 -3.975 5.396 513 HG12 VAL 72 2HG1 VAL 72 -4.855 -4.219 5.690 514 HG13 VAL 72 3HG1 VAL 72 -5.737 -2.981 6.585 515 HG21 VAL 72 1HG2 VAL 72 -6.182 -0.576 4.057 516 HG22 VAL 72 2HG2 VAL 72 -6.626 -1.181 5.653 517 HG23 VAL 72 3HG2 VAL 72 -5.016 -0.518 5.378 518 H PHE 73 H PHE 73 -1.893 -3.847 5.160 519 HA PHE 73 HA PHE 73 -1.634 -5.653 2.985 520 HB2 PHE 73 1HB PHE 73 0.169 -5.012 4.656 521 HB3 PHE 73 2HB PHE 73 -0.620 -6.102 5.792 522 HD1 PHE 73 2HD PHE 73 0.142 -6.381 2.152 523 HD2 PHE 73 1HD PHE 73 0.678 -7.975 6.062 524 HE1 PHE 73 2HE PHE 73 1.401 -8.271 1.205 525 HE2 PHE 73 1HE PHE 73 1.939 -9.867 5.122 526 HZ PHE 73 HZ PHE 73 2.301 -10.018 2.690 527 H ILE 74 H ILE 74 -2.130 -7.867 2.881 528 HA ILE 74 HA ILE 74 -3.935 -8.943 4.913 529 HB ILE 74 HB ILE 74 -4.631 -8.925 1.974 530 HG12 ILE 74 1HG1 ILE 74 -6.013 -7.516 4.266 531 HG13 ILE 74 2HG1 ILE 74 -4.916 -6.727 3.138 532 HG21 ILE 74 1HG2 ILE 74 -6.495 -9.770 4.141 533 HG22 ILE 74 2HG2 ILE 74 -6.453 -10.242 2.443 534 HG23 ILE 74 3HG2 ILE 74 -5.267 -10.900 3.570 535 HD11 ILE 74 1HD1 ILE 74 -6.890 -6.214 2.156 536 HD12 ILE 74 2HD1 ILE 74 -6.591 -7.765 1.372 537 HD13 ILE 74 3HD1 ILE 74 -7.692 -7.670 2.746 538 H TYR 75 H TYR 75 -2.760 -10.654 5.535 539 HA TYR 75 HA TYR 75 -1.260 -12.224 3.622 540 HB2 TYR 75 1HB TYR 75 -0.500 -11.667 5.994 541 HB3 TYR 75 2HB TYR 75 -1.670 -12.863 6.541 542 HD1 TYR 75 1HD TYR 75 -1.441 -15.245 5.578 543 HD2 TYR 75 2HD TYR 75 1.650 -12.328 5.382 544 HE1 TYR 75 1HE TYR 75 0.214 -17.030 5.225 545 HE2 TYR 75 2HE TYR 75 3.313 -14.105 5.027 546 HH TYR 75 HH TYR 75 3.371 -16.430 4.181 547 H CYS 76 H CYS 76 -2.779 -13.208 2.308 548 HA CYS 76 HA CYS 76 -4.763 -14.948 3.578 549 HB2 CYS 76 1HB CYS 76 -5.576 -13.433 1.828 550 HB3 CYS 76 2HB CYS 76 -4.440 -14.134 0.682 551 HG CYS 76 HG CYS 76 -5.656 -16.622 0.597 552 H GLN 77 H GLN 77 -4.601 -17.106 3.574 553 HA GLN 77 HA GLN 77 -2.228 -18.288 2.351 554 HB2 GLN 77 1HB GLN 77 -4.205 -19.366 4.364 555 HB3 GLN 77 2HB GLN 77 -2.850 -20.288 3.725 556 HG2 GLN 77 1HG GLN 77 -1.899 -19.530 5.633 557 HG3 GLN 77 2HG GLN 77 -1.491 -18.184 4.569 558 HE21 GLN 77 1HE2 GLN 77 -3.334 -19.232 7.279 559 HE22 GLN 77 2HE2 GLN 77 -3.968 -17.687 7.721 560 H VAL 78 H VAL 78 -2.435 -19.045 0.355 561 HA VAL 78 HA VAL 78 -4.630 -19.414 -1.170 562 HB VAL 78 HB VAL 78 -3.377 -21.193 -2.420 563 HG11 VAL 78 1HG1 VAL 78 -1.229 -19.361 -2.297 564 HG12 VAL 78 2HG1 VAL 78 -2.545 -19.424 -3.472 565 HG13 VAL 78 3HG1 VAL 78 -2.712 -18.450 -2.011 566 HG21 VAL 78 1HG2 VAL 78 -2.247 -22.231 -0.529 567 HG22 VAL 78 2HG2 VAL 78 -1.075 -21.681 -1.727 568 HG23 VAL 78 3HG2 VAL 78 -1.327 -20.752 -0.250 569 H GLY 79 H GLY 79 -3.315 -21.763 1.128 570 HA2 GLY 79 1HA GLY 79 -5.460 -22.915 2.144 571 HA3 GLY 79 2HA GLY 79 -5.495 -23.619 0.534 572 H ASP 80 H ASP 80 -3.349 -24.634 -0.150 573 HA ASP 80 HA ASP 80 -1.660 -25.629 1.948 574 HB2 ASP 80 1HB ASP 80 -3.206 -27.745 0.478 575 HB3 ASP 80 2HB ASP 80 -2.280 -27.887 1.970 576 H LYS 81 H LYS 81 -0.192 -27.444 0.984 577 HA LYS 81 HA LYS 81 1.186 -26.342 -1.196 578 HB2 LYS 81 1HB LYS 81 2.594 -27.647 0.039 579 HB3 LYS 81 2HB LYS 81 1.354 -28.844 0.388 580 HG2 LYS 81 1HG LYS 81 1.710 -29.984 -1.592 581 HG3 LYS 81 2HG LYS 81 2.465 -28.594 -2.374 582 HD2 LYS 81 1HD LYS 81 4.227 -28.931 -0.419 583 HD3 LYS 81 2HD LYS 81 3.622 -30.587 -0.496 584 HE2 LYS 81 1HE LYS 81 4.086 -30.569 -2.943 585 HE3 LYS 81 2HE LYS 81 4.829 -28.983 -2.747 586 HZ1 LYS 81 1HZ LYS 81 6.440 -30.828 -2.745 587 HZ2 LYS 81 2HZ LYS 81 5.725 -31.438 -1.338 588 HZ3 LYS 81 3HZ LYS 81 6.482 -29.925 -1.315 589 HA PRO 82 HA PRO 82 -0.663 -29.911 -3.879 590 HB2 PRO 82 1HB PRO 82 -2.705 -31.343 -2.806 591 HB3 PRO 82 2HB PRO 82 -1.007 -31.793 -2.606 592 HG2 PRO 82 1HG PRO 82 -2.817 -30.342 -0.714 593 HG3 PRO 82 2HG PRO 82 -1.649 -31.633 -0.377 594 HD2 PRO 82 1HD PRO 82 -1.112 -29.022 0.097 595 HD3 PRO 82 2HD PRO 82 0.143 -30.183 -0.379 596 H TYR 83 H TYR 83 -2.712 -28.013 -1.783 597 HA TYR 83 HA TYR 83 -4.989 -27.969 -3.499 598 HB2 TYR 83 1HB TYR 83 -5.372 -27.496 -1.201 599 HB3 TYR 83 2HB TYR 83 -4.127 -26.252 -1.173 600 HD1 TYR 83 2HD TYR 83 -4.543 -24.065 -2.266 601 HD2 TYR 83 1HD TYR 83 -7.595 -27.010 -1.923 602 HE1 TYR 83 2HE TYR 83 -6.242 -22.351 -2.737 603 HE2 TYR 83 1HE TYR 83 -9.303 -25.303 -2.395 604 HH TYR 83 HH TYR 83 -8.575 -22.271 -3.641 605 H TRP 84 H TRP 84 -2.227 -25.821 -2.995 606 HA TRP 84 HA TRP 84 -3.027 -23.678 -4.574 607 HB2 TRP 84 1HB TRP 84 -1.099 -23.328 -3.285 608 HB3 TRP 84 2HB TRP 84 -0.329 -24.800 -3.869 609 HD1 TRP 84 HD TRP 84 1.778 -24.010 -5.101 610 HE1 TRP 84 1HE TRP 84 2.291 -22.288 -6.943 611 HE3 TRP 84 3HE TRP 84 -2.834 -21.840 -5.490 612 HZ2 TRP 84 2HZ TRP 84 0.922 -20.275 -8.372 613 HZ3 TRP 84 3HZ TRP 84 -3.148 -20.022 -7.118 614 HH2 TRP 84 HH TRP 84 -1.308 -19.257 -8.528 615 H LYS 85 H LYS 85 -1.259 -26.614 -5.505 616 HA LYS 85 HA LYS 85 -0.701 -26.074 -8.135 617 HB2 LYS 85 1HB LYS 85 -1.680 -28.717 -7.040 618 HB3 LYS 85 2HB LYS 85 -0.773 -28.488 -8.530 619 HG2 LYS 85 1HG LYS 85 1.060 -27.492 -7.084 620 HG3 LYS 85 2HG LYS 85 0.171 -28.139 -5.703 621 HD2 LYS 85 1HD LYS 85 0.478 -30.358 -6.407 622 HD3 LYS 85 2HD LYS 85 0.939 -29.866 -8.038 623 HE2 LYS 85 1HE LYS 85 3.054 -29.153 -7.350 624 HE3 LYS 85 2HE LYS 85 2.576 -29.071 -5.655 625 HZ1 LYS 85 1HZ LYS 85 3.635 -31.031 -5.556 626 HZ2 LYS 85 2HZ LYS 85 3.487 -31.338 -7.212 627 HZ3 LYS 85 3HZ LYS 85 2.190 -31.658 -6.174 628 H ASP 86 H ASP 86 -3.764 -27.166 -6.755 629 HA ASP 86 HA ASP 86 -5.304 -27.875 -8.813 630 HB2 ASP 86 1HB ASP 86 -6.175 -25.739 -6.856 631 HB3 ASP 86 2HB ASP 86 -7.217 -26.860 -7.730 632 HA PRO 87 HA PRO 87 -4.468 -24.397 -11.607 633 HB2 PRO 87 1HB PRO 87 -5.136 -25.773 -13.850 634 HB3 PRO 87 2HB PRO 87 -3.550 -25.903 -13.080 635 HG2 PRO 87 1HG PRO 87 -5.909 -27.736 -12.881 636 HG3 PRO 87 2HG PRO 87 -4.192 -28.138 -13.067 637 HD2 PRO 87 1HD PRO 87 -5.467 -28.263 -10.682 638 HD3 PRO 87 2HD PRO 87 -3.749 -27.839 -10.824 639 H ASN 88 H ASN 88 -7.272 -26.047 -10.699 640 HA ASN 88 HA ASN 88 -8.957 -24.217 -12.280 641 HB2 ASN 88 1HB ASN 88 -9.731 -26.892 -11.095 642 HB3 ASN 88 2HB ASN 88 -10.757 -25.856 -12.082 643 HD21 ASN 88 1HD2 ASN 88 -8.022 -28.002 -12.059 644 HD22 ASN 88 2HD2 ASN 88 -7.945 -28.246 -13.767 645 H ASN 89 H ASN 89 -7.675 -23.534 -9.799 646 HA ASN 89 HA ASN 89 -9.810 -23.580 -7.816 647 HB2 ASN 89 1HB ASN 89 -8.039 -22.299 -6.450 648 HB3 ASN 89 2HB ASN 89 -7.722 -23.991 -6.821 649 HD21 ASN 89 1HD2 ASN 89 -5.506 -23.302 -6.329 650 HD22 ASN 89 2HD2 ASN 89 -4.552 -22.634 -7.605 651 H ASP 90 H ASP 90 -10.281 -21.507 -6.645 652 HA ASP 90 HA ASP 90 -11.228 -19.571 -8.480 653 HB2 ASP 90 1HB ASP 90 -10.962 -19.397 -5.470 654 HB3 ASP 90 2HB ASP 90 -11.912 -18.308 -6.477 655 H PHE 91 H PHE 91 -8.231 -19.977 -6.880 656 HA PHE 91 HA PHE 91 -7.428 -17.238 -6.840 657 HB2 PHE 91 1HB PHE 91 -5.877 -19.822 -6.639 658 HB3 PHE 91 2HB PHE 91 -5.121 -18.235 -6.523 659 HD1 PHE 91 2HD PHE 91 -5.720 -16.725 -4.644 660 HD2 PHE 91 1HD PHE 91 -7.043 -20.767 -4.818 661 HE1 PHE 91 2HE PHE 91 -6.231 -16.658 -2.238 662 HE2 PHE 91 1HE PHE 91 -7.557 -20.706 -2.413 663 HZ PHE 91 HZ PHE 91 -7.150 -18.650 -1.120 664 H ARG 92 H ARG 92 -6.989 -19.928 -9.082 665 HA ARG 92 HA ARG 92 -5.488 -18.217 -10.912 666 HB2 ARG 92 1HB ARG 92 -6.190 -21.150 -11.131 667 HB3 ARG 92 2HB ARG 92 -5.121 -20.264 -12.209 668 HG2 ARG 92 1HG ARG 92 -3.503 -19.966 -10.490 669 HG3 ARG 92 2HG ARG 92 -4.613 -20.581 -9.263 670 HD2 ARG 92 1HD ARG 92 -4.617 -22.766 -10.464 671 HD3 ARG 92 2HD ARG 92 -3.370 -22.125 -11.533 672 HE ARG 92 HE ARG 92 -2.762 -22.007 -8.706 673 HH11 ARG 92 2HH1 ARG 92 -2.495 -23.802 -11.677 674 HH12 ARG 92 1HH1 ARG 92 -1.123 -24.721 -11.151 675 HH21 ARG 92 2HH2 ARG 92 -0.957 -23.211 -8.002 676 HH22 ARG 92 1HH2 ARG 92 -0.250 -24.384 -9.060 677 H GLN 93 H GLN 93 -8.669 -19.185 -10.329 678 HA GLN 93 HA GLN 93 -9.508 -18.917 -13.109 679 HB2 GLN 93 1HB GLN 93 -11.083 -19.549 -10.607 680 HB3 GLN 93 2HB GLN 93 -11.759 -19.490 -12.230 681 HG2 GLN 93 1HG GLN 93 -9.436 -21.273 -11.734 682 HG3 GLN 93 2HG GLN 93 -11.018 -21.756 -11.123 683 HE21 GLN 93 1HE2 GLN 93 -8.960 -21.889 -13.711 684 HE22 GLN 93 2HE2 GLN 93 -10.090 -22.322 -14.943 685 H LYS 94 H LYS 94 -9.841 -17.278 -10.002 686 HA LYS 94 HA LYS 94 -11.211 -15.054 -11.350 687 HB2 LYS 94 1HB LYS 94 -10.956 -15.616 -8.390 688 HB3 LYS 94 2HB LYS 94 -11.901 -14.326 -9.122 689 HG2 LYS 94 1HG LYS 94 -13.166 -16.198 -10.328 690 HG3 LYS 94 2HG LYS 94 -12.417 -17.276 -9.148 691 HD2 LYS 94 1HD LYS 94 -13.328 -15.480 -7.444 692 HD3 LYS 94 2HD LYS 94 -14.460 -15.144 -8.756 693 HE2 LYS 94 1HE LYS 94 -13.978 -17.941 -7.785 694 HE3 LYS 94 2HE LYS 94 -15.127 -16.877 -6.975 695 HZ1 LYS 94 1HZ LYS 94 -16.609 -17.464 -8.491 696 HZ2 LYS 94 2HZ LYS 94 -15.463 -18.360 -9.354 697 HZ3 LYS 94 3HZ LYS 94 -15.674 -16.714 -9.685 698 H LEU 95 H LEU 95 -8.723 -15.617 -8.856 699 HA LEU 95 HA LEU 95 -7.681 -12.952 -9.129 700 HB2 LEU 95 1HB LEU 95 -6.841 -15.384 -7.586 701 HB3 LEU 95 2HB LEU 95 -5.831 -13.940 -7.651 702 HG LEU 95 HG LEU 95 -8.648 -14.055 -6.573 703 HD11 LEU 95 1HD1 LEU 95 -7.521 -15.102 -4.899 704 HD12 LEU 95 2HD1 LEU 95 -7.185 -13.430 -4.452 705 HD13 LEU 95 3HD1 LEU 95 -5.975 -14.368 -5.326 706 HD21 LEU 95 1HD2 LEU 95 -6.602 -11.839 -6.630 707 HD22 LEU 95 2HD2 LEU 95 -8.117 -11.794 -5.727 708 HD23 LEU 95 3HD2 LEU 95 -8.142 -11.879 -7.489 709 H LYS 96 H LYS 96 -7.276 -15.851 -10.810 710 HA LYS 96 HA LYS 96 -5.707 -16.650 -12.275 711 HB2 LYS 96 1HB LYS 96 -5.962 -13.723 -12.843 712 HB3 LYS 96 2HB LYS 96 -4.788 -14.673 -13.743 713 HG2 LYS 96 1HG LYS 96 -6.615 -14.785 -15.121 714 HG3 LYS 96 2HG LYS 96 -6.813 -16.258 -14.168 715 HD2 LYS 96 1HD LYS 96 -8.603 -15.426 -13.005 716 HD3 LYS 96 2HD LYS 96 -8.066 -13.752 -13.163 717 HE2 LYS 96 1HE LYS 96 -8.904 -15.256 -15.600 718 HE3 LYS 96 2HE LYS 96 -10.139 -14.632 -14.508 719 HZ1 LYS 96 1HZ LYS 96 -8.680 -13.244 -16.458 720 HZ2 LYS 96 2HZ LYS 96 -8.276 -12.600 -14.948 721 HZ3 LYS 96 3HZ LYS 96 -9.894 -12.655 -15.438 722 H ILE 97 H ILE 97 -4.542 -16.647 -9.876 723 HA ILE 97 HA ILE 97 -2.217 -15.086 -9.590 724 HB ILE 97 HB ILE 97 -2.778 -17.843 -8.491 725 HG12 ILE 97 1HG1 ILE 97 -4.465 -16.216 -7.807 726 HG13 ILE 97 2HG1 ILE 97 -3.432 -16.627 -6.443 727 HG21 ILE 97 1HG2 ILE 97 -0.437 -17.439 -8.355 728 HG22 ILE 97 2HG2 ILE 97 -0.692 -15.791 -7.786 729 HG23 ILE 97 3HG2 ILE 97 -1.109 -17.156 -6.750 730 HD11 ILE 97 1HD1 ILE 97 -3.807 -14.071 -7.829 731 HD12 ILE 97 2HD1 ILE 97 -3.379 -14.409 -6.152 732 HD13 ILE 97 3HD1 ILE 97 -2.141 -14.465 -7.406 733 H THR 98 H THR 98 -0.020 -15.633 -9.902 734 HA THR 98 HA THR 98 0.406 -17.379 -12.213 735 HB THR 98 HB THR 98 2.298 -15.372 -10.971 736 HG1 THR 98 1HG THR 98 0.628 -14.243 -11.907 737 HG21 THR 98 1HG2 THR 98 2.556 -17.353 -13.122 738 HG22 THR 98 2HG2 THR 98 3.801 -16.537 -12.177 739 HG23 THR 98 3HG2 THR 98 3.072 -15.726 -13.562 740 H ALA 99 H ALA 99 2.398 -16.547 -9.375 741 HA ALA 99 HA ALA 99 2.667 -19.354 -8.685 742 HB1 ALA 99 1HB ALA 99 5.172 -17.787 -9.233 743 HB2 ALA 99 2HB ALA 99 5.001 -19.519 -8.945 744 HB3 ALA 99 3HB ALA 99 4.410 -18.812 -10.449 745 H VAL 100 H VAL 100 2.569 -19.512 -6.549 746 HA VAL 100 HA VAL 100 2.768 -17.185 -4.880 747 HB VAL 100 HB VAL 100 2.254 -18.700 -3.023 748 HG11 VAL 100 1HG1 VAL 100 0.211 -19.817 -4.566 749 HG12 VAL 100 2HG1 VAL 100 0.167 -18.295 -3.674 750 HG13 VAL 100 3HG1 VAL 100 0.638 -18.309 -5.374 751 HG21 VAL 100 1HG2 VAL 100 1.717 -21.113 -3.668 752 HG22 VAL 100 2HG2 VAL 100 2.686 -20.816 -5.112 753 HG23 VAL 100 3HG2 VAL 100 3.419 -20.678 -3.514 754 HA PRO 101 HA PRO 101 3.096 -16.762 -2.682 755 HB2 PRO 101 1HB PRO 101 4.655 -14.687 -1.887 756 HB3 PRO 101 2HB PRO 101 4.535 -16.200 -0.981 757 HG2 PRO 101 1HG PRO 101 6.654 -15.301 -2.895 758 HG3 PRO 101 2HG PRO 101 6.832 -16.118 -1.332 759 HD2 PRO 101 1HD PRO 101 7.011 -17.433 -3.692 760 HD3 PRO 101 2HD PRO 101 6.369 -18.193 -2.222 761 H THR 102 H THR 102 1.840 -15.190 -3.536 762 HA THR 102 HA THR 102 2.963 -13.598 -5.750 763 HB THR 102 HB THR 102 0.097 -14.535 -5.549 764 HG1 THR 102 1HG THR 102 2.379 -15.716 -6.662 765 HG21 THR 102 1HG2 THR 102 -0.290 -13.485 -7.534 766 HG22 THR 102 2HG2 THR 102 1.368 -13.701 -8.097 767 HG23 THR 102 3HG2 THR 102 0.990 -12.432 -6.932 768 H LEU 103 H LEU 103 3.181 -11.572 -5.054 769 HA LEU 103 HA LEU 103 1.236 -10.468 -3.169 770 HB2 LEU 103 1HB LEU 103 3.628 -10.236 -2.666 771 HB3 LEU 103 2HB LEU 103 3.849 -9.338 -4.166 772 HG LEU 103 HG LEU 103 2.253 -7.618 -3.224 773 HD11 LEU 103 1HD1 LEU 103 2.096 -7.604 -0.735 774 HD12 LEU 103 2HD1 LEU 103 2.710 -9.257 -0.739 775 HD13 LEU 103 3HD1 LEU 103 1.171 -8.887 -1.515 776 HD21 LEU 103 1HD2 LEU 103 4.592 -7.147 -3.300 777 HD22 LEU 103 2HD2 LEU 103 4.899 -8.156 -1.886 778 HD23 LEU 103 3HD2 LEU 103 3.995 -6.649 -1.717 779 H LEU 104 H LEU 104 -0.536 -9.975 -4.407 780 HA LEU 104 HA LEU 104 -0.153 -8.242 -6.739 781 HB2 LEU 104 1HB LEU 104 -1.584 -9.878 -7.427 782 HB3 LEU 104 2HB LEU 104 -2.283 -10.092 -5.823 783 HG LEU 104 HG LEU 104 -3.444 -7.852 -6.217 784 HD11 LEU 104 1HD1 LEU 104 -1.854 -7.593 -8.338 785 HD12 LEU 104 2HD1 LEU 104 -3.457 -6.863 -8.256 786 HD13 LEU 104 3HD1 LEU 104 -3.223 -8.383 -9.120 787 HD21 LEU 104 1HD2 LEU 104 -4.307 -10.330 -6.503 788 HD22 LEU 104 2HD2 LEU 104 -4.415 -9.848 -8.196 789 HD23 LEU 104 3HD2 LEU 104 -5.302 -8.949 -6.965 790 H LYS 105 H LYS 105 -0.800 -6.164 -6.785 791 HA LYS 105 HA LYS 105 -1.775 -5.016 -4.280 792 HB2 LYS 105 1HB LYS 105 0.099 -3.835 -5.051 793 HB3 LYS 105 2HB LYS 105 -0.445 -3.881 -6.723 794 HG2 LYS 105 1HG LYS 105 -2.344 -2.375 -6.015 795 HG3 LYS 105 2HG LYS 105 -1.490 -2.175 -4.483 796 HD2 LYS 105 1HD LYS 105 0.066 -1.753 -6.972 797 HD3 LYS 105 2HD LYS 105 -1.136 -0.530 -6.554 798 HE2 LYS 105 1HE LYS 105 0.627 0.320 -5.401 799 HE3 LYS 105 2HE LYS 105 0.019 -0.785 -4.170 800 HZ1 LYS 105 1HZ LYS 105 2.253 -1.280 -4.237 801 HZ2 LYS 105 2HZ LYS 105 2.376 -1.068 -5.910 802 HZ3 LYS 105 3HZ LYS 105 1.623 -2.448 -5.286 803 H TYR 106 H TYR 106 -3.946 -5.224 -4.174 804 HA TYR 106 HA TYR 106 -5.783 -5.292 -6.215 805 HB2 TYR 106 1HB TYR 106 -6.015 -5.518 -3.581 806 HB3 TYR 106 2HB TYR 106 -6.547 -3.846 -3.718 807 HD1 TYR 106 2HD TYR 106 -7.136 -6.821 -5.900 808 HD2 TYR 106 1HD TYR 106 -8.842 -3.801 -3.436 809 HE1 TYR 106 2HE TYR 106 -9.387 -7.593 -6.522 810 HE2 TYR 106 1HE TYR 106 -11.098 -4.566 -4.051 811 HH TYR 106 HH TYR 106 -11.740 -6.515 -6.623 812 H GLY 107 H GLY 107 -6.444 -3.885 -7.695 813 HA2 GLY 107 1HA GLY 107 -7.406 -1.694 -8.166 814 HA3 GLY 107 2HA GLY 107 -6.193 -1.004 -7.097 815 H THR 108 H THR 108 -4.123 -2.829 -8.256 816 HA THR 108 HA THR 108 -3.865 -1.742 -10.962 817 HB THR 108 HB THR 108 -1.580 -0.991 -10.581 818 HG1 THR 108 1HG THR 108 -2.046 -2.112 -8.051 819 HG21 THR 108 1HG2 THR 108 -2.888 0.859 -10.305 820 HG22 THR 108 2HG2 THR 108 -2.204 0.768 -8.682 821 HG23 THR 108 3HG2 THR 108 -3.821 0.139 -8.994 822 HA PRO 109 HA PRO 109 -2.258 -5.716 -11.925 823 HB2 PRO 109 1HB PRO 109 -0.651 -5.110 -14.027 824 HB3 PRO 109 2HB PRO 109 -2.415 -5.102 -14.134 825 HG2 PRO 109 1HG PRO 109 -0.530 -2.806 -13.765 826 HG3 PRO 109 2HG PRO 109 -1.959 -2.924 -14.808 827 HD2 PRO 109 1HD PRO 109 -2.002 -1.655 -12.416 828 HD3 PRO 109 2HD PRO 109 -3.416 -2.505 -13.072 829 H GLN 110 H GLN 110 -0.454 -3.384 -10.456 830 HA GLN 110 HA GLN 110 2.183 -4.409 -10.799 831 HB2 GLN 110 1HB GLN 110 0.883 -2.438 -8.971 832 HB3 GLN 110 2HB GLN 110 2.473 -3.058 -8.546 833 HG2 GLN 110 1HG GLN 110 3.010 -2.401 -11.043 834 HG3 GLN 110 2HG GLN 110 1.656 -1.300 -10.792 835 HE21 GLN 110 1HE2 GLN 110 1.844 -0.257 -8.462 836 HE22 GLN 110 2HE2 GLN 110 3.374 0.484 -8.155 837 H LYS 111 H LYS 111 2.646 -6.430 -10.206 838 HA LYS 111 HA LYS 111 2.016 -7.232 -7.454 839 HB2 LYS 111 1HB LYS 111 1.633 -9.577 -8.352 840 HB3 LYS 111 2HB LYS 111 0.364 -8.403 -8.677 841 HG2 LYS 111 1HG LYS 111 0.581 -9.482 -10.702 842 HG3 LYS 111 2HG LYS 111 1.593 -8.054 -10.926 843 HD2 LYS 111 1HD LYS 111 2.775 -9.970 -11.764 844 HD3 LYS 111 2HD LYS 111 3.567 -9.427 -10.283 845 HE2 LYS 111 1HE LYS 111 1.446 -11.498 -10.061 846 HE3 LYS 111 2HE LYS 111 3.008 -11.980 -10.722 847 HZ1 LYS 111 1HZ LYS 111 3.656 -12.191 -8.622 848 HZ2 LYS 111 2HZ LYS 111 2.284 -11.406 -8.020 849 HZ3 LYS 111 3HZ LYS 111 3.629 -10.503 -8.509 850 H LEU 112 H LEU 112 3.361 -9.085 -6.721 851 HA LEU 112 HA LEU 112 5.953 -9.196 -8.108 852 HB2 LEU 112 1HB LEU 112 5.576 -9.026 -5.123 853 HB3 LEU 112 2HB LEU 112 7.110 -9.112 -5.985 854 HG LEU 112 HG LEU 112 5.161 -6.811 -5.980 855 HD11 LEU 112 1HD1 LEU 112 6.489 -5.800 -4.479 856 HD12 LEU 112 2HD1 LEU 112 7.966 -6.442 -5.197 857 HD13 LEU 112 3HD1 LEU 112 7.010 -7.442 -4.104 858 HD21 LEU 112 1HD2 LEU 112 5.997 -6.268 -7.967 859 HD22 LEU 112 2HD2 LEU 112 7.184 -7.571 -7.899 860 HD23 LEU 112 3HD2 LEU 112 7.544 -6.009 -7.162 861 H VAL 113 H VAL 113 6.520 -11.205 -8.587 862 HA VAL 113 HA VAL 113 5.090 -13.443 -7.449 863 HB VAL 113 HB VAL 113 7.430 -13.881 -9.230 864 HG11 VAL 113 1HG1 VAL 113 4.856 -15.155 -8.579 865 HG12 VAL 113 2HG1 VAL 113 5.365 -15.272 -10.265 866 HG13 VAL 113 3HG1 VAL 113 6.413 -15.878 -8.981 867 HG21 VAL 113 1HG2 VAL 113 4.891 -12.511 -10.083 868 HG22 VAL 113 2HG2 VAL 113 6.553 -11.971 -10.323 869 HG23 VAL 113 3HG2 VAL 113 5.943 -13.370 -11.208 870 H GLU 114 H GLU 114 6.540 -15.470 -7.006 871 HA GLU 114 HA GLU 114 7.681 -15.402 -4.609 872 HB2 GLU 114 1HB GLU 114 9.071 -16.936 -6.797 873 HB3 GLU 114 2HB GLU 114 8.890 -17.378 -5.105 874 HG2 GLU 114 1HG GLU 114 6.377 -17.446 -5.590 875 HG3 GLU 114 2HG GLU 114 6.845 -17.451 -7.289 876 H SER 115 H SER 115 9.761 -15.142 -7.497 877 HA SER 115 HA SER 115 12.085 -14.389 -6.192 878 HB2 SER 115 1HB SER 115 11.140 -13.634 -8.967 879 HB3 SER 115 2HB SER 115 12.790 -13.425 -8.382 880 HG SER 115 HG SER 115 11.511 -15.685 -9.241 881 H GLU 116 H GLU 116 9.601 -12.290 -7.637 882 HA GLU 116 HA GLU 116 10.837 -9.863 -6.843 883 HB2 GLU 116 1HB GLU 116 7.921 -10.347 -7.475 884 HB3 GLU 116 2HB GLU 116 8.751 -8.797 -7.487 885 HG2 GLU 116 1HG GLU 116 10.284 -10.030 -9.245 886 HG3 GLU 116 2HG GLU 116 8.837 -11.013 -9.456 887 H CYS 117 H CYS 117 9.190 -12.219 -5.092 888 HA CYS 117 HA CYS 117 8.166 -10.389 -3.075 889 HB2 CYS 117 1HB CYS 117 8.029 -13.375 -3.441 890 HB3 CYS 117 2HB CYS 117 7.528 -12.607 -1.940 891 HG CYS 117 HG CYS 117 5.906 -12.874 -4.819 892 H CYS 118 H CYS 118 11.028 -12.053 -3.758 893 HA CYS 118 HA CYS 118 11.869 -12.002 -0.942 894 HB2 CYS 118 1HB CYS 118 12.163 -14.172 -1.953 895 HB3 CYS 118 2HB CYS 118 13.007 -13.468 -3.327 896 HG CYS 118 HG CYS 118 14.893 -12.438 -1.101 897 H GLN 119 H GLN 119 12.020 -10.181 -3.700 898 HA GLN 119 HA GLN 119 14.711 -9.154 -3.174 899 HB2 GLN 119 1HB GLN 119 12.815 -8.969 -5.481 900 HB3 GLN 119 2HB GLN 119 14.050 -7.733 -5.284 901 HG2 GLN 119 1HG GLN 119 14.497 -9.833 -6.758 902 HG3 GLN 119 2HG GLN 119 15.767 -9.175 -5.728 903 HE21 GLN 119 1HE2 GLN 119 14.027 -11.909 -6.566 904 HE22 GLN 119 2HE2 GLN 119 14.515 -12.937 -5.266 905 H SER 120 H SER 120 14.425 -7.950 -1.319 906 HA SER 120 HA SER 120 12.383 -6.304 -0.580 907 HB2 SER 120 1HB SER 120 14.430 -4.825 0.338 908 HB3 SER 120 2HB SER 120 13.965 -6.361 1.069 909 HG SER 120 HG SER 120 16.181 -5.721 -0.482 910 H SER 121 H SER 121 15.103 -5.447 -2.693 911 HA SER 121 HA SER 121 14.754 -2.793 -3.095 912 HB2 SER 121 1HB SER 121 16.482 -4.137 -4.232 913 HB3 SER 121 2HB SER 121 15.248 -4.821 -5.291 914 HG SER 121 HG SER 121 16.390 -3.029 -6.219 915 H LEU 122 H LEU 122 12.741 -5.373 -4.382 916 HA LEU 122 HA LEU 122 11.133 -3.558 -5.954 917 HB2 LEU 122 1HB LEU 122 10.928 -6.494 -5.334 918 HB3 LEU 122 2HB LEU 122 9.715 -5.631 -6.278 919 HG LEU 122 HG LEU 122 12.606 -5.685 -7.092 920 HD11 LEU 122 1HD1 LEU 122 12.443 -7.861 -7.504 921 HD12 LEU 122 2HD1 LEU 122 11.230 -7.465 -8.720 922 HD13 LEU 122 3HD1 LEU 122 10.730 -7.881 -7.081 923 HD21 LEU 122 1HD2 LEU 122 11.326 -4.006 -8.196 924 HD22 LEU 122 2HD2 LEU 122 10.004 -5.132 -8.505 925 HD23 LEU 122 3HD2 LEU 122 11.548 -5.334 -9.335 926 H VAL 123 H VAL 123 10.679 -5.548 -3.043 927 HA VAL 123 HA VAL 123 8.055 -4.991 -2.453 928 HB VAL 123 HB VAL 123 10.337 -5.229 -0.487 929 HG11 VAL 123 1HG1 VAL 123 8.774 -5.605 1.216 930 HG12 VAL 123 2HG1 VAL 123 8.140 -4.213 0.336 931 HG13 VAL 123 3HG1 VAL 123 7.447 -5.813 0.074 932 HG21 VAL 123 1HG2 VAL 123 10.049 -7.518 -0.516 933 HG22 VAL 123 2HG2 VAL 123 8.406 -7.411 -1.149 934 HG23 VAL 123 3HG2 VAL 123 9.782 -7.107 -2.210 935 H GLU 124 H GLU 124 10.906 -3.079 -1.518 936 HA GLU 124 HA GLU 124 9.438 -1.062 -0.177 937 HB2 GLU 124 1HB GLU 124 11.498 0.194 -0.155 938 HB3 GLU 124 2HB GLU 124 11.856 -1.495 0.177 939 HG2 GLU 124 1HG GLU 124 12.622 -1.816 -2.092 940 HG3 GLU 124 2HG GLU 124 12.177 -0.160 -2.501 941 H MET 125 H MET 125 10.261 -1.609 -3.507 942 HA MET 125 HA MET 125 9.754 1.063 -4.396 943 HB2 MET 125 1HB MET 125 11.181 -0.682 -5.575 944 HB3 MET 125 2HB MET 125 9.676 -1.432 -6.089 945 HG2 MET 125 1HG MET 125 9.091 0.886 -7.033 946 HG3 MET 125 2HG MET 125 10.811 1.225 -6.857 947 HE1 MET 125 1HE MET 125 8.059 -0.810 -8.680 948 HE2 MET 125 2HE MET 125 8.985 -1.977 -9.625 949 HE3 MET 125 3HE MET 125 8.921 -2.118 -7.868 950 H ILE 126 H ILE 126 7.981 -1.979 -4.995 951 HA ILE 126 HA ILE 126 5.717 -0.994 -6.147 952 HB ILE 126 HB ILE 126 6.180 -3.404 -5.759 953 HG12 ILE 126 1HG1 ILE 126 3.465 -2.908 -4.617 954 HG13 ILE 126 2HG1 ILE 126 3.835 -2.252 -6.208 955 HG21 ILE 126 1HG2 ILE 126 4.940 -3.983 -3.377 956 HG22 ILE 126 2HG2 ILE 126 6.679 -3.985 -3.662 957 HG23 ILE 126 3HG2 ILE 126 5.898 -2.555 -2.988 958 HD11 ILE 126 1HD1 ILE 126 2.743 -4.417 -6.362 959 HD12 ILE 126 2HD1 ILE 126 4.384 -4.486 -7.005 960 HD13 ILE 126 3HD1 ILE 126 4.033 -5.145 -5.407 961 H PHE 127 H PHE 127 6.725 -0.597 -2.871 962 HA PHE 127 HA PHE 127 4.089 0.333 -2.026 963 HB2 PHE 127 1HB PHE 127 6.670 -0.113 -0.521 964 HB3 PHE 127 2HB PHE 127 5.232 0.590 0.214 965 HD1 PHE 127 2HD PHE 127 3.085 -1.025 -0.913 966 HD2 PHE 127 1HD PHE 127 6.944 -2.185 0.456 967 HE1 PHE 127 2HE PHE 127 2.230 -3.280 -0.429 968 HE2 PHE 127 1HE PHE 127 6.096 -4.443 0.942 969 HZ PHE 127 HZ PHE 127 3.736 -4.993 0.501 970 H SER 128 H SER 128 7.388 1.524 -2.469 971 HA SER 128 HA SER 128 6.912 4.153 -1.549 972 HB2 SER 128 1HB SER 128 9.023 2.931 -3.318 973 HB3 SER 128 2HB SER 128 8.995 4.662 -2.981 974 HG SER 128 HG SER 128 9.337 4.256 -0.847 975 H GLU 129 H GLU 129 7.274 2.950 -4.891 976 HA GLU 129 HA GLU 129 6.639 5.238 -6.262 977 HB2 GLU 129 1HB GLU 129 7.307 2.902 -7.142 978 HB3 GLU 129 2HB GLU 129 5.582 2.568 -7.154 979 HG2 GLU 129 1HG GLU 129 6.695 4.976 -8.538 980 HG3 GLU 129 2HG GLU 129 6.694 3.393 -9.313 981 H ASP 130 H ASP 130 4.845 6.380 -6.730 982 HA ASP 130 HA ASP 130 2.333 5.480 -5.494 983 HB2 ASP 130 1HB ASP 130 3.526 7.748 -4.923 984 HB3 ASP 130 2HB ASP 130 2.782 8.292 -6.425 Start of MODEL 6 1 H1 GLY 1 H GLY 1 9.696 15.779 12.697 2 HA2 GLY 1 1HA GLY 1 11.563 15.634 11.359 3 HA3 GLY 1 2HA GLY 1 10.469 14.841 10.235 4 H SER 2 H SER 2 9.711 15.941 8.460 5 HA SER 2 HA SER 2 10.972 18.559 7.983 6 HB2 SER 2 1HB SER 2 11.682 16.698 6.479 7 HB3 SER 2 2HB SER 2 10.014 16.558 5.923 8 HG SER 2 HG SER 2 11.218 17.869 4.519 9 H GLU 3 H GLU 3 9.502 20.072 8.496 10 HA GLU 3 HA GLU 3 7.524 21.214 8.613 11 HB2 GLU 3 1HB GLU 3 7.808 20.332 5.777 12 HB3 GLU 3 2HB GLU 3 6.304 21.102 6.261 13 HG2 GLU 3 1HG GLU 3 7.958 22.663 5.298 14 HG3 GLU 3 2HG GLU 3 7.456 23.084 6.935 15 H GLY 4 H GLY 4 7.290 18.689 9.742 16 HA2 GLY 4 1HA GLY 4 4.435 18.284 9.478 17 HA3 GLY 4 2HA GLY 4 5.412 16.913 8.972 18 H ALA 5 H ALA 5 3.604 16.668 11.031 19 HA ALA 5 HA ALA 5 5.351 16.497 13.400 20 HB1 ALA 5 1HB ALA 5 3.805 17.731 14.422 21 HB2 ALA 5 2HB ALA 5 2.669 17.550 13.085 22 HB3 ALA 5 3HB ALA 5 2.757 16.315 14.341 23 H ALA 6 H ALA 6 6.105 14.423 12.876 24 HA ALA 6 HA ALA 6 6.123 12.149 12.955 25 HB1 ALA 6 1HB ALA 6 4.763 11.083 14.506 26 HB2 ALA 6 2HB ALA 6 4.826 12.741 15.105 27 HB3 ALA 6 3HB ALA 6 3.409 12.177 14.220 28 H THR 7 H THR 7 5.221 13.327 10.586 29 HA THR 7 HA THR 7 2.816 12.111 9.651 30 HB THR 7 HB THR 7 3.507 12.875 7.422 31 HG1 THR 7 1HG THR 7 5.569 13.102 7.051 32 HG21 THR 7 1HG2 THR 7 2.492 14.438 9.126 33 HG22 THR 7 2HG2 THR 7 3.416 15.217 7.841 34 HG23 THR 7 3HG2 THR 7 4.125 15.023 9.444 35 H MET 8 H MET 8 2.819 9.913 9.800 36 HA MET 8 HA MET 8 4.698 8.508 8.042 37 HB2 MET 8 1HB MET 8 4.198 7.973 10.945 38 HB3 MET 8 2HB MET 8 4.576 6.631 9.872 39 HG2 MET 8 1HG MET 8 6.285 9.072 10.292 40 HG3 MET 8 2HG MET 8 6.556 7.488 11.013 41 HE1 MET 8 1HE MET 8 9.450 7.884 8.467 42 HE2 MET 8 2HE MET 8 8.829 8.546 9.978 43 HE3 MET 8 3HE MET 8 9.090 6.808 9.818 44 H ALA 9 H ALA 9 3.784 6.951 6.819 45 HA ALA 9 HA ALA 9 1.037 6.823 6.448 46 HB1 ALA 9 1HB ALA 9 3.356 5.241 5.545 47 HB2 ALA 9 2HB ALA 9 1.785 4.446 5.440 48 HB3 ALA 9 3HB ALA 9 2.053 5.982 4.616 49 H THR 10 H THR 10 -0.170 4.605 6.526 50 HA THR 10 HA THR 10 0.239 3.394 9.181 51 HB THR 10 HB THR 10 -2.286 3.155 9.281 52 HG1 THR 10 1HG THR 10 -3.403 4.766 7.989 53 HG21 THR 10 1HG2 THR 10 -1.375 6.025 9.269 54 HG22 THR 10 2HG2 THR 10 -0.880 4.878 10.513 55 HG23 THR 10 3HG2 THR 10 -2.586 5.268 10.302 56 H PHE 11 H PHE 11 0.483 1.264 9.113 57 HA PHE 11 HA PHE 11 -0.671 -0.211 6.838 58 HB2 PHE 11 1HB PHE 11 1.256 -1.434 6.536 59 HB3 PHE 11 2HB PHE 11 1.944 0.097 7.067 60 HD1 PHE 11 1HD PHE 11 0.969 -3.282 8.219 61 HD2 PHE 11 2HD PHE 11 3.250 0.225 9.007 62 HE1 PHE 11 1HE PHE 11 2.111 -4.442 10.064 63 HE2 PHE 11 2HE PHE 11 4.396 -0.930 10.852 64 HZ PHE 11 HZ PHE 11 3.828 -3.267 11.382 65 H GLU 12 H GLU 12 -2.032 -1.793 7.356 66 HA GLU 12 HA GLU 12 -1.992 -2.811 10.122 67 HB2 GLU 12 1HB GLU 12 -3.985 -1.455 9.651 68 HB3 GLU 12 2HB GLU 12 -4.367 -2.485 8.279 69 HG2 GLU 12 1HG GLU 12 -5.740 -3.025 10.211 70 HG3 GLU 12 2HG GLU 12 -4.701 -4.377 9.762 71 H GLU 13 H GLU 13 -1.894 -4.961 10.429 72 HA GLU 13 HA GLU 13 -1.585 -6.638 8.064 73 HB2 GLU 13 1HB GLU 13 -0.053 -6.549 10.215 74 HB3 GLU 13 2HB GLU 13 -1.244 -7.680 10.842 75 HG2 GLU 13 1HG GLU 13 -0.007 -8.180 8.178 76 HG3 GLU 13 2HG GLU 13 0.899 -8.544 9.646 77 H VAL 14 H VAL 14 -3.067 -8.045 7.386 78 HA VAL 14 HA VAL 14 -5.224 -8.820 9.236 79 HB VAL 14 HB VAL 14 -5.524 -8.047 6.332 80 HG11 VAL 14 1HG1 VAL 14 -6.988 -9.953 7.779 81 HG12 VAL 14 2HG1 VAL 14 -8.004 -8.512 7.696 82 HG13 VAL 14 3HG1 VAL 14 -7.390 -9.245 6.214 83 HG21 VAL 14 1HG2 VAL 14 -5.761 -6.020 7.262 84 HG22 VAL 14 2HG2 VAL 14 -7.345 -6.608 7.767 85 HG23 VAL 14 3HG2 VAL 14 -5.980 -6.682 8.882 86 H SER 15 H SER 15 -4.999 -10.925 9.599 87 HA SER 15 HA SER 15 -3.896 -12.661 7.535 88 HB2 SER 15 1HB SER 15 -3.013 -12.890 9.807 89 HB3 SER 15 2HB SER 15 -4.632 -13.234 10.417 90 HG SER 15 HG SER 15 -3.041 -14.811 8.686 91 H VAL 16 H VAL 16 -5.083 -13.958 6.296 92 HA VAL 16 HA VAL 16 -7.724 -14.825 7.189 93 HB VAL 16 HB VAL 16 -8.655 -14.277 4.893 94 HG11 VAL 16 1HG1 VAL 16 -9.601 -12.415 5.748 95 HG12 VAL 16 2HG1 VAL 16 -8.739 -12.904 7.208 96 HG13 VAL 16 3HG1 VAL 16 -8.049 -11.677 6.144 97 HG21 VAL 16 1HG2 VAL 16 -5.999 -12.980 4.730 98 HG22 VAL 16 2HG2 VAL 16 -6.990 -13.701 3.461 99 HG23 VAL 16 3HG2 VAL 16 -7.368 -12.087 4.065 100 H LEU 17 H LEU 17 -8.606 -16.570 5.873 101 HA LEU 17 HA LEU 17 -6.611 -17.969 4.235 102 HB2 LEU 17 1HB LEU 17 -6.372 -19.117 6.242 103 HB3 LEU 17 2HB LEU 17 -8.088 -19.000 6.624 104 HG LEU 17 HG LEU 17 -8.624 -20.717 5.042 105 HD11 LEU 17 1HD1 LEU 17 -5.713 -20.943 4.332 106 HD12 LEU 17 2HD1 LEU 17 -6.852 -19.981 3.392 107 HD13 LEU 17 3HD1 LEU 17 -7.094 -21.720 3.558 108 HD21 LEU 17 1HD2 LEU 17 -7.504 -21.222 7.349 109 HD22 LEU 17 2HD2 LEU 17 -6.182 -21.827 6.350 110 HD23 LEU 17 3HD2 LEU 17 -7.796 -22.525 6.196 111 H GLY 18 H GLY 18 -7.504 -18.042 2.275 112 HA2 GLY 18 1HA GLY 18 -9.073 -19.311 0.898 113 HA3 GLY 18 2HA GLY 18 -10.312 -18.936 2.086 114 H PHE 19 H PHE 19 -11.224 -18.356 -0.199 115 HA PHE 19 HA PHE 19 -10.431 -15.703 -1.084 116 HB2 PHE 19 1HB PHE 19 -11.020 -17.543 -2.695 117 HB3 PHE 19 2HB PHE 19 -12.683 -17.427 -2.129 118 HD1 PHE 19 2HD PHE 19 -13.627 -14.927 -2.160 119 HD2 PHE 19 1HD PHE 19 -10.477 -16.411 -4.607 120 HE1 PHE 19 2HE PHE 19 -14.057 -13.138 -3.793 121 HE2 PHE 19 1HE PHE 19 -10.901 -14.624 -6.244 122 HZ PHE 19 HZ PHE 19 -12.694 -12.985 -5.839 123 H GLU 20 H GLU 20 -13.083 -17.284 0.585 124 HA GLU 20 HA GLU 20 -14.978 -15.243 0.517 125 HB2 GLU 20 1HB GLU 20 -14.409 -17.326 2.626 126 HB3 GLU 20 2HB GLU 20 -15.803 -16.257 2.679 127 HG2 GLU 20 1HG GLU 20 -16.384 -17.153 0.375 128 HG3 GLU 20 2HG GLU 20 -15.180 -18.403 0.682 129 H GLU 21 H GLU 21 -12.910 -15.993 3.326 130 HA GLU 21 HA GLU 21 -13.376 -13.642 4.718 131 HB2 GLU 21 1HB GLU 21 -11.078 -15.575 4.703 132 HB3 GLU 21 2HB GLU 21 -11.028 -14.134 5.710 133 HG2 GLU 21 1HG GLU 21 -13.136 -14.851 6.777 134 HG3 GLU 21 2HG GLU 21 -13.077 -16.334 5.826 135 H PHE 22 H PHE 22 -10.900 -14.358 2.297 136 HA PHE 22 HA PHE 22 -9.356 -12.071 2.494 137 HB2 PHE 22 1HB PHE 22 -8.503 -13.697 1.058 138 HB3 PHE 22 2HB PHE 22 -10.034 -13.891 0.209 139 HD1 PHE 22 2HD PHE 22 -7.786 -10.996 0.925 140 HD2 PHE 22 1HD PHE 22 -9.871 -13.291 -1.991 141 HE1 PHE 22 2HE PHE 22 -6.997 -9.469 -0.835 142 HE2 PHE 22 1HE PHE 22 -9.084 -11.768 -3.757 143 HZ PHE 22 HZ PHE 22 -7.647 -9.853 -3.180 144 H ASP 23 H ASP 23 -12.057 -12.587 0.219 145 HA ASP 23 HA ASP 23 -12.192 -10.066 -0.870 146 HB2 ASP 23 1HB ASP 23 -13.543 -12.002 -1.622 147 HB3 ASP 23 2HB ASP 23 -14.551 -11.834 -0.187 148 H LYS 24 H LYS 24 -14.023 -11.224 1.962 149 HA LYS 24 HA LYS 24 -15.374 -8.946 2.641 150 HB2 LYS 24 1HB LYS 24 -15.526 -11.158 3.799 151 HB3 LYS 24 2HB LYS 24 -14.019 -10.781 4.624 152 HG2 LYS 24 1HG LYS 24 -14.986 -9.182 5.957 153 HG3 LYS 24 2HG LYS 24 -16.296 -8.869 4.815 154 HD2 LYS 24 1HD LYS 24 -16.978 -11.328 5.360 155 HD3 LYS 24 2HD LYS 24 -15.998 -11.080 6.807 156 HE2 LYS 24 1HE LYS 24 -18.041 -10.399 7.580 157 HE3 LYS 24 2HE LYS 24 -17.411 -8.866 6.979 158 HZ1 LYS 24 1HZ LYS 24 -19.176 -10.670 5.416 159 HZ2 LYS 24 2HZ LYS 24 -18.673 -9.115 4.981 160 HZ3 LYS 24 3HZ LYS 24 -19.722 -9.328 6.291 161 H ALA 25 H ALA 25 -12.068 -9.801 3.643 162 HA ALA 25 HA ALA 25 -11.560 -7.486 5.143 163 HB1 ALA 25 1HB ALA 25 -9.423 -8.946 3.630 164 HB2 ALA 25 2HB ALA 25 -9.328 -8.162 5.207 165 HB3 ALA 25 3HB ALA 25 -10.222 -9.671 5.024 166 H VAL 26 H VAL 26 -11.080 -8.199 1.713 167 HA VAL 26 HA VAL 26 -9.680 -5.860 1.032 168 HB VAL 26 HB VAL 26 -11.430 -7.693 -0.595 169 HG11 VAL 26 1HG1 VAL 26 -9.912 -6.284 -2.405 170 HG12 VAL 26 2HG1 VAL 26 -11.633 -6.047 -2.092 171 HG13 VAL 26 3HG1 VAL 26 -10.440 -5.040 -1.272 172 HG21 VAL 26 1HG2 VAL 26 -8.458 -7.275 -0.356 173 HG22 VAL 26 2HG2 VAL 26 -9.384 -8.716 0.064 174 HG23 VAL 26 3HG2 VAL 26 -9.204 -8.245 -1.626 175 H LYS 27 H LYS 27 -13.077 -6.566 0.207 176 HA LYS 27 HA LYS 27 -13.869 -4.063 -0.548 177 HB2 LYS 27 1HB LYS 27 -15.394 -6.228 0.891 178 HB3 LYS 27 2HB LYS 27 -16.169 -4.748 0.340 179 HG2 LYS 27 1HG LYS 27 -14.639 -6.574 -1.493 180 HG3 LYS 27 2HG LYS 27 -16.370 -6.736 -1.186 181 HD2 LYS 27 1HD LYS 27 -16.339 -4.156 -1.798 182 HD3 LYS 27 2HD LYS 27 -14.886 -4.636 -2.678 183 HE2 LYS 27 1HE LYS 27 -16.490 -6.581 -3.503 184 HE3 LYS 27 2HE LYS 27 -17.727 -5.380 -3.133 185 HZ1 LYS 27 1HZ LYS 27 -17.019 -4.003 -4.783 186 HZ2 LYS 27 2HZ LYS 27 -16.599 -5.486 -5.479 187 HZ3 LYS 27 3HZ LYS 27 -15.416 -4.541 -4.725 188 H GLU 28 H GLU 28 -13.252 -5.213 2.675 189 HA GLU 28 HA GLU 28 -14.595 -3.113 4.054 190 HB2 GLU 28 1HB GLU 28 -12.638 -5.242 4.795 191 HB3 GLU 28 2HB GLU 28 -12.874 -3.899 5.905 192 HG2 GLU 28 1HG GLU 28 -15.243 -5.371 4.854 193 HG3 GLU 28 2HG GLU 28 -14.278 -6.074 6.151 194 H HIS 29 H HIS 29 -11.303 -3.602 2.899 195 HA HIS 29 HA HIS 29 -10.576 -0.925 3.866 196 HB2 HIS 29 1HB HIS 29 -8.687 -2.983 2.730 197 HB3 HIS 29 2HB HIS 29 -8.294 -1.574 3.711 198 HD1 HIS 29 1HD HIS 29 -9.657 -1.773 6.215 199 HD2 HIS 29 2HD HIS 29 -8.535 -5.230 4.202 200 HE1 HIS 29 1HE HIS 29 -9.607 -3.582 7.961 201 HE2 HIS 29 2HE HIS 29 -8.843 -5.646 6.736 202 H GLU 30 H GLU 30 -12.080 -1.935 1.323 203 HA GLU 30 HA GLU 30 -10.607 -1.401 -0.957 204 HB2 GLU 30 1HB GLU 30 -12.701 -1.020 -2.084 205 HB3 GLU 30 2HB GLU 30 -12.923 -2.311 -0.912 206 HG2 GLU 30 1HG GLU 30 -13.823 -0.538 0.658 207 HG3 GLU 30 2HG GLU 30 -13.864 0.532 -0.742 208 H SER 31 H SER 31 -11.872 0.791 1.414 209 HA SER 31 HA SER 31 -11.957 3.169 -0.030 210 HB2 SER 31 1HB SER 31 -11.402 2.568 2.868 211 HB3 SER 31 2HB SER 31 -11.389 4.223 2.260 212 HG SER 31 HG SER 31 -13.501 2.554 2.752 213 H LYS 32 H LYS 32 -9.240 1.572 1.568 214 HA LYS 32 HA LYS 32 -7.433 3.509 0.276 215 HB2 LYS 32 1HB LYS 32 -6.645 1.871 2.664 216 HB3 LYS 32 2HB LYS 32 -5.954 3.381 2.084 217 HG2 LYS 32 1HG LYS 32 -7.104 4.155 3.883 218 HG3 LYS 32 2HG LYS 32 -8.364 4.294 2.655 219 HD2 LYS 32 1HD LYS 32 -9.542 3.197 4.272 220 HD3 LYS 32 2HD LYS 32 -8.866 1.806 3.420 221 HE2 LYS 32 1HE LYS 32 -8.567 1.489 5.783 222 HE3 LYS 32 2HE LYS 32 -6.993 1.786 5.046 223 HZ1 LYS 32 1HZ LYS 32 -6.980 3.990 5.865 224 HZ2 LYS 32 2HZ LYS 32 -7.425 3.005 7.166 225 HZ3 LYS 32 3HZ LYS 32 -8.599 3.910 6.350 226 H THR 33 H THR 33 -5.141 2.501 0.045 227 HA THR 33 HA THR 33 -5.259 0.471 -1.855 228 HB THR 33 HB THR 33 -2.868 1.198 -0.152 229 HG1 THR 33 1HG THR 33 -4.083 2.401 -2.382 230 HG21 THR 33 1HG2 THR 33 -1.633 0.465 -2.236 231 HG22 THR 33 2HG2 THR 33 -3.154 -0.238 -2.785 232 HG23 THR 33 3HG2 THR 33 -2.395 -0.823 -1.305 233 H ILE 34 H ILE 34 -4.790 -1.721 -1.825 234 HA ILE 34 HA ILE 34 -4.589 -2.986 0.824 235 HB ILE 34 HB ILE 34 -6.437 -3.776 -1.424 236 HG12 ILE 34 1HG1 ILE 34 -7.180 -3.441 1.462 237 HG13 ILE 34 2HG1 ILE 34 -7.010 -2.023 0.434 238 HG21 ILE 34 1HG2 ILE 34 -5.651 -5.849 -0.780 239 HG22 ILE 34 2HG2 ILE 34 -5.406 -5.352 0.894 240 HG23 ILE 34 3HG2 ILE 34 -7.038 -5.638 0.288 241 HD11 ILE 34 1HD1 ILE 34 -8.913 -2.446 -0.680 242 HD12 ILE 34 2HD1 ILE 34 -8.670 -4.193 -0.650 243 HD13 ILE 34 3HD1 ILE 34 -9.306 -3.366 0.772 244 H PHE 35 H PHE 35 -3.285 -4.762 0.963 245 HA PHE 35 HA PHE 35 -1.966 -5.643 -1.520 246 HB2 PHE 35 1HB PHE 35 -0.759 -4.969 1.153 247 HB3 PHE 35 2HB PHE 35 0.061 -6.047 0.027 248 HD1 PHE 35 2HD PHE 35 0.550 -5.164 -2.313 249 HD2 PHE 35 1HD PHE 35 -0.560 -2.663 0.947 250 HE1 PHE 35 2HE PHE 35 1.494 -3.220 -3.488 251 HE2 PHE 35 1HE PHE 35 0.381 -0.714 -0.223 252 HZ PHE 35 HZ PHE 35 1.411 -0.991 -2.443 253 H ALA 36 H ALA 36 -2.666 -7.640 -1.904 254 HA ALA 36 HA ALA 36 -3.215 -9.445 0.330 255 HB1 ALA 36 1HB ALA 36 -5.005 -9.637 -1.066 256 HB2 ALA 36 2HB ALA 36 -4.051 -9.320 -2.516 257 HB3 ALA 36 3HB ALA 36 -3.979 -10.903 -1.742 258 H TYR 37 H TYR 37 -1.646 -10.738 1.005 259 HA TYR 37 HA TYR 37 0.497 -11.483 -0.850 260 HB2 TYR 37 1HB TYR 37 1.163 -10.440 1.281 261 HB3 TYR 37 2HB TYR 37 0.367 -11.739 2.162 262 HD1 TYR 37 1HD TYR 37 2.744 -11.602 -0.727 263 HD2 TYR 37 2HD TYR 37 1.880 -13.175 3.130 264 HE1 TYR 37 1HE TYR 37 4.819 -12.919 -0.807 265 HE2 TYR 37 2HE TYR 37 3.954 -14.496 3.062 266 HH TYR 37 HH TYR 37 5.627 -15.153 0.357 267 H PHE 38 H PHE 38 -0.776 -13.066 -1.958 268 HA PHE 38 HA PHE 38 -1.936 -15.285 -0.608 269 HB2 PHE 38 1HB PHE 38 -1.075 -15.196 -3.500 270 HB3 PHE 38 2HB PHE 38 -2.327 -16.204 -2.783 271 HD1 PHE 38 1HD PHE 38 -4.286 -14.892 -1.636 272 HD2 PHE 38 2HD PHE 38 -1.686 -13.266 -4.588 273 HE1 PHE 38 1HE PHE 38 -5.972 -13.182 -2.175 274 HE2 PHE 38 2HE PHE 38 -3.366 -11.553 -5.130 275 HZ PHE 38 HZ PHE 38 -5.513 -11.509 -3.923 276 H SER 39 H SER 39 -0.899 -16.897 0.341 277 HA SER 39 HA SER 39 1.453 -18.061 -0.912 278 HB2 SER 39 1HB SER 39 2.535 -16.456 0.495 279 HB3 SER 39 2HB SER 39 1.485 -16.848 1.856 280 HG SER 39 HG SER 39 3.576 -17.824 1.996 281 H GLY 40 H GLY 40 2.157 -20.069 0.296 282 HA2 GLY 40 1HA GLY 40 -0.061 -21.785 0.619 283 HA3 GLY 40 2HA GLY 40 1.606 -22.180 1.009 284 H SER 41 H SER 41 -0.698 -23.003 2.476 285 HA SER 41 HA SER 41 -1.290 -21.472 4.717 286 HB2 SER 41 1HB SER 41 -2.010 -23.551 5.771 287 HB3 SER 41 2HB SER 41 -2.492 -23.544 4.075 288 HG SER 41 HG SER 41 -0.691 -25.161 5.399 289 H LYS 42 H LYS 42 -0.551 -21.601 6.900 290 HA LYS 42 HA LYS 42 2.329 -21.792 7.077 291 HB2 LYS 42 1HB LYS 42 0.267 -21.040 9.157 292 HB3 LYS 42 2HB LYS 42 2.009 -20.910 9.364 293 HG2 LYS 42 1HG LYS 42 2.170 -19.197 7.746 294 HG3 LYS 42 2HG LYS 42 0.521 -19.477 7.182 295 HD2 LYS 42 1HD LYS 42 -0.422 -18.487 9.063 296 HD3 LYS 42 2HD LYS 42 1.044 -18.689 10.025 297 HE2 LYS 42 1HE LYS 42 2.082 -17.085 8.244 298 HE3 LYS 42 2HE LYS 42 0.401 -16.645 7.942 299 HZ1 LYS 42 1HZ LYS 42 0.185 -15.693 9.985 300 HZ2 LYS 42 2HZ LYS 42 1.827 -15.389 9.720 301 HZ3 LYS 42 3HZ LYS 42 1.355 -16.675 10.712 302 H ASP 43 H ASP 43 3.168 -22.753 9.257 303 HA ASP 43 HA ASP 43 2.108 -25.489 9.418 304 HB2 ASP 43 1HB ASP 43 4.570 -24.937 8.775 305 HB3 ASP 43 2HB ASP 43 4.781 -24.652 10.501 306 H THR 44 H THR 44 2.958 -26.436 11.728 307 HA THR 44 HA THR 44 1.214 -25.258 13.633 308 HB THR 44 HB THR 44 1.449 -27.572 13.874 309 HG1 THR 44 1HG THR 44 3.270 -26.659 15.852 310 HG21 THR 44 1HG2 THR 44 3.265 -28.446 12.875 311 HG22 THR 44 2HG2 THR 44 4.023 -28.280 14.459 312 HG23 THR 44 3HG2 THR 44 4.258 -27.034 13.234 313 H GLU 45 H GLU 45 4.295 -24.408 12.677 314 HA GLU 45 HA GLU 45 4.996 -23.297 15.304 315 HB2 GLU 45 1HB GLU 45 6.614 -24.731 13.843 316 HB3 GLU 45 2HB GLU 45 6.818 -23.248 12.922 317 HG2 GLU 45 1HG GLU 45 8.542 -23.053 14.394 318 HG3 GLU 45 2HG GLU 45 7.275 -22.215 15.288 319 H GLY 46 H GLY 46 3.820 -22.456 12.209 320 HA2 GLY 46 1HA GLY 46 2.806 -20.293 11.901 321 HA3 GLY 46 2HA GLY 46 4.065 -19.607 12.918 322 H LYS 47 H LYS 47 4.713 -21.930 10.382 323 HA LYS 47 HA LYS 47 5.781 -19.783 8.685 324 HB2 LYS 47 1HB LYS 47 7.820 -21.013 8.283 325 HB3 LYS 47 2HB LYS 47 7.624 -20.781 10.015 326 HG2 LYS 47 1HG LYS 47 8.235 -22.969 9.987 327 HG3 LYS 47 2HG LYS 47 6.484 -23.154 9.855 328 HD2 LYS 47 1HD LYS 47 6.583 -23.684 7.600 329 HD3 LYS 47 2HD LYS 47 8.162 -22.925 7.387 330 HE2 LYS 47 1HE LYS 47 9.279 -24.712 8.426 331 HE3 LYS 47 2HE LYS 47 7.789 -25.350 9.119 332 HZ1 LYS 47 1HZ LYS 47 7.846 -26.733 7.384 333 HZ2 LYS 47 2HZ LYS 47 8.929 -25.775 6.507 334 HZ3 LYS 47 3HZ LYS 47 7.275 -25.424 6.477 335 H SER 48 H SER 48 5.729 -20.170 6.478 336 HA SER 48 HA SER 48 3.733 -22.001 5.589 337 HB2 SER 48 1HB SER 48 5.563 -20.047 4.230 338 HB3 SER 48 2HB SER 48 4.634 -21.200 3.272 339 HG SER 48 HG SER 48 3.550 -19.375 5.158 340 H TRP 49 H TRP 49 3.931 -23.857 4.375 341 HA TRP 49 HA TRP 49 6.010 -25.596 4.913 342 HB2 TRP 49 1HB TRP 49 5.137 -26.791 2.761 343 HB3 TRP 49 2HB TRP 49 4.078 -26.641 4.160 344 HD1 TRP 49 HD TRP 49 1.996 -24.973 3.954 345 HE1 TRP 49 1HE TRP 49 0.813 -23.946 1.913 346 HE3 TRP 49 3HE TRP 49 5.560 -25.889 0.405 347 HZ2 TRP 49 2HZ TRP 49 1.322 -23.573 -0.838 348 HZ3 TRP 49 3HZ TRP 49 5.134 -25.165 -1.908 349 HH2 TRP 49 HH TRP 49 3.058 -24.031 -2.515 350 H CYS 50 H CYS 50 5.575 -23.455 2.134 351 HA CYS 50 HA CYS 50 7.880 -24.384 0.738 352 HB2 CYS 50 1HB CYS 50 6.013 -23.280 -0.418 353 HB3 CYS 50 2HB CYS 50 6.353 -21.788 0.450 354 HG CYS 50 HG CYS 50 7.217 -21.589 -2.231 355 HA PRO 51 HA PRO 51 10.992 -22.275 3.053 356 HB2 PRO 51 1HB PRO 51 13.001 -22.479 1.239 357 HB3 PRO 51 2HB PRO 51 12.447 -23.843 2.217 358 HG2 PRO 51 1HG PRO 51 11.776 -23.146 -0.616 359 HG3 PRO 51 2HG PRO 51 12.162 -24.729 0.086 360 HD2 PRO 51 1HD PRO 51 9.622 -23.944 -0.431 361 HD3 PRO 51 2HD PRO 51 10.034 -25.016 0.923 362 H ASP 52 H ASP 52 10.159 -21.356 -0.233 363 HA ASP 52 HA ASP 52 11.640 -18.951 -0.338 364 HB2 ASP 52 1HB ASP 52 9.303 -20.051 -1.861 365 HB3 ASP 52 2HB ASP 52 9.788 -18.375 -2.098 366 H CYS 53 H CYS 53 8.163 -19.491 0.256 367 HA CYS 53 HA CYS 53 7.396 -16.904 0.780 368 HB2 CYS 53 1HB CYS 53 6.423 -19.429 2.133 369 HB3 CYS 53 2HB CYS 53 5.592 -17.879 2.181 370 HG CYS 53 HG CYS 53 4.362 -18.086 -0.077 371 H VAL 54 H VAL 54 8.887 -19.224 2.991 372 HA VAL 54 HA VAL 54 8.696 -17.615 5.313 373 HB VAL 54 HB VAL 54 10.646 -19.832 4.673 374 HG11 VAL 54 1HG1 VAL 54 9.943 -18.561 7.317 375 HG12 VAL 54 2HG1 VAL 54 10.968 -19.982 7.101 376 HG13 VAL 54 3HG1 VAL 54 11.482 -18.418 6.467 377 HG21 VAL 54 1HG2 VAL 54 8.034 -20.170 4.774 378 HG22 VAL 54 2HG2 VAL 54 9.135 -21.340 5.501 379 HG23 VAL 54 3HG2 VAL 54 8.327 -20.143 6.513 380 H GLU 55 H GLU 55 10.806 -17.565 2.596 381 HA GLU 55 HA GLU 55 12.791 -15.939 3.999 382 HB2 GLU 55 1HB GLU 55 13.568 -17.769 2.521 383 HB3 GLU 55 2HB GLU 55 12.804 -16.967 1.156 384 HG2 GLU 55 1HG GLU 55 15.121 -16.468 1.083 385 HG3 GLU 55 2HG GLU 55 14.277 -15.002 1.578 386 H ALA 56 H ALA 56 10.096 -15.645 1.909 387 HA ALA 56 HA ALA 56 10.866 -12.997 0.965 388 HB1 ALA 56 1HB ALA 56 8.711 -14.933 0.284 389 HB2 ALA 56 2HB ALA 56 8.448 -13.222 -0.053 390 HB3 ALA 56 3HB ALA 56 9.823 -14.061 -0.772 391 H GLU 57 H GLU 57 8.700 -14.521 3.253 392 HA GLU 57 HA GLU 57 6.874 -12.571 3.814 393 HB2 GLU 57 1HB GLU 57 7.532 -14.919 4.978 394 HB3 GLU 57 2HB GLU 57 8.127 -13.800 6.196 395 HG2 GLU 57 1HG GLU 57 6.046 -13.066 6.748 396 HG3 GLU 57 2HG GLU 57 5.391 -13.367 5.139 397 HA PRO 58 HA PRO 58 10.049 -10.400 6.767 398 HB2 PRO 58 1HB PRO 58 12.662 -11.047 6.417 399 HB3 PRO 58 2HB PRO 58 11.603 -11.904 7.543 400 HG2 PRO 58 1HG PRO 58 12.438 -12.669 4.772 401 HG3 PRO 58 2HG PRO 58 12.315 -13.681 6.223 402 HD2 PRO 58 1HD PRO 58 10.408 -13.653 4.300 403 HD3 PRO 58 2HD PRO 58 10.032 -13.922 6.014 404 H VAL 59 H VAL 59 10.521 -11.047 3.428 405 HA VAL 59 HA VAL 59 12.097 -8.647 2.961 406 HB VAL 59 HB VAL 59 10.937 -10.530 0.906 407 HG11 VAL 59 1HG1 VAL 59 13.114 -9.575 -0.257 408 HG12 VAL 59 2HG1 VAL 59 11.575 -8.715 -0.323 409 HG13 VAL 59 3HG1 VAL 59 12.811 -8.225 0.836 410 HG21 VAL 59 1HG2 VAL 59 12.638 -11.373 2.778 411 HG22 VAL 59 2HG2 VAL 59 12.710 -11.939 1.109 412 HG23 VAL 59 3HG2 VAL 59 13.801 -10.666 1.656 413 H ILE 60 H ILE 60 8.808 -9.768 2.690 414 HA ILE 60 HA ILE 60 7.978 -7.420 1.186 415 HB ILE 60 HB ILE 60 6.320 -9.688 2.298 416 HG12 ILE 60 1HG1 ILE 60 7.559 -9.186 -0.404 417 HG13 ILE 60 2HG1 ILE 60 7.731 -10.602 0.628 418 HG21 ILE 60 1HG2 ILE 60 5.276 -7.353 1.813 419 HG22 ILE 60 2HG2 ILE 60 5.438 -7.839 0.126 420 HG23 ILE 60 3HG2 ILE 60 4.470 -8.811 1.234 421 HD11 ILE 60 1HD1 ILE 60 5.604 -9.889 -1.277 422 HD12 ILE 60 2HD1 ILE 60 6.255 -11.466 -0.831 423 HD13 ILE 60 3HD1 ILE 60 5.086 -10.665 0.219 424 H ARG 61 H ARG 61 7.451 -8.857 4.389 425 HA ARG 61 HA ARG 61 5.728 -6.853 5.365 426 HB2 ARG 61 1HB ARG 61 7.382 -9.013 6.573 427 HB3 ARG 61 2HB ARG 61 6.810 -7.736 7.638 428 HG2 ARG 61 1HG ARG 61 4.504 -8.264 6.490 429 HG3 ARG 61 2HG ARG 61 5.277 -9.819 6.176 430 HD2 ARG 61 1HD ARG 61 4.377 -10.277 8.214 431 HD3 ARG 61 2HD ARG 61 5.913 -9.590 8.740 432 HE ARG 61 HE ARG 61 3.928 -7.577 8.488 433 HH11 ARG 61 2HH1 ARG 61 4.978 -10.184 10.543 434 HH12 ARG 61 1HH1 ARG 61 4.312 -9.489 11.984 435 HH21 ARG 61 2HH2 ARG 61 3.047 -6.653 10.378 436 HH22 ARG 61 1HH2 ARG 61 3.213 -7.481 11.889 437 H GLU 62 H GLU 62 9.111 -6.894 4.824 438 HA GLU 62 HA GLU 62 9.852 -4.938 6.763 439 HB2 GLU 62 1HB GLU 62 11.159 -6.202 4.397 440 HB3 GLU 62 2HB GLU 62 11.847 -4.714 5.032 441 HG2 GLU 62 1HG GLU 62 11.264 -7.003 6.860 442 HG3 GLU 62 2HG GLU 62 12.726 -6.993 5.875 443 H GLY 63 H GLY 63 9.588 -4.734 3.205 444 HA2 GLY 63 1HA GLY 63 9.878 -1.970 3.000 445 HA3 GLY 63 2HA GLY 63 9.038 -2.979 1.832 446 H LEU 64 H LEU 64 7.004 -3.886 3.669 447 HA LEU 64 HA LEU 64 5.002 -2.058 3.216 448 HB2 LEU 64 1HB LEU 64 5.357 -4.260 5.194 449 HB3 LEU 64 2HB LEU 64 3.961 -3.194 5.345 450 HG LEU 64 HG LEU 64 4.580 -4.682 2.805 451 HD11 LEU 64 1HD1 LEU 64 3.952 -5.887 5.229 452 HD12 LEU 64 2HD1 LEU 64 3.805 -6.596 3.621 453 HD13 LEU 64 3HD1 LEU 64 2.419 -5.795 4.362 454 HD21 LEU 64 1HD2 LEU 64 2.940 -2.645 3.079 455 HD22 LEU 64 2HD2 LEU 64 1.869 -3.879 3.742 456 HD23 LEU 64 3HD2 LEU 64 2.495 -4.044 2.101 457 H LYS 65 H LYS 65 7.413 -2.040 5.699 458 HA LYS 65 HA LYS 65 6.060 -0.172 7.411 459 HB2 LYS 65 1HB LYS 65 8.786 -1.400 7.324 460 HB3 LYS 65 2HB LYS 65 8.526 0.028 8.317 461 HG2 LYS 65 1HG LYS 65 6.616 -2.223 8.607 462 HG3 LYS 65 2HG LYS 65 8.240 -2.418 9.271 463 HD2 LYS 65 1HD LYS 65 6.564 0.007 9.855 464 HD3 LYS 65 2HD LYS 65 6.439 -1.467 10.818 465 HE2 LYS 65 1HE LYS 65 9.054 -0.067 10.317 466 HE3 LYS 65 2HE LYS 65 8.010 0.332 11.680 467 HZ1 LYS 65 1HZ LYS 65 8.983 -2.417 11.158 468 HZ2 LYS 65 2HZ LYS 65 8.262 -1.822 12.568 469 HZ3 LYS 65 3HZ LYS 65 9.820 -1.321 12.138 470 H HIS 66 H HIS 66 8.385 0.000 4.795 471 HA HIS 66 HA HIS 66 8.801 2.850 5.183 472 HB2 HIS 66 1HB HIS 66 9.817 1.104 2.936 473 HB3 HIS 66 2HB HIS 66 10.410 2.696 3.398 474 HD1 HIS 66 1HD HIS 66 12.242 2.777 5.104 475 HD2 HIS 66 2HD HIS 66 10.448 -0.963 4.873 476 HE1 HIS 66 1HE HIS 66 13.647 1.268 6.542 477 HE2 HIS 66 2HE HIS 66 12.592 -1.008 6.319 478 H VAL 67 H VAL 67 6.225 1.384 4.223 479 HA VAL 67 HA VAL 67 5.712 2.253 1.585 480 HB VAL 67 HB VAL 67 4.407 0.513 2.895 481 HG11 VAL 67 1HG1 VAL 67 4.018 1.772 4.922 482 HG12 VAL 67 2HG1 VAL 67 3.112 2.992 4.025 483 HG13 VAL 67 3HG1 VAL 67 2.475 1.354 4.179 484 HG21 VAL 67 1HG2 VAL 67 2.276 2.184 1.876 485 HG22 VAL 67 2HG2 VAL 67 3.673 2.184 0.800 486 HG23 VAL 67 3HG2 VAL 67 2.909 0.661 1.252 487 H THR 68 H THR 68 4.606 4.034 0.798 488 HA THR 68 HA THR 68 4.365 6.293 2.677 489 HB THR 68 HB THR 68 6.141 6.447 0.847 490 HG1 THR 68 1HG THR 68 5.083 8.256 2.016 491 HG21 THR 68 1HG2 THR 68 4.327 7.484 -1.126 492 HG22 THR 68 2HG2 THR 68 3.940 5.799 -0.777 493 HG23 THR 68 3HG2 THR 68 5.566 6.241 -1.296 494 H GLU 69 H GLU 69 2.243 4.516 2.366 495 HA GLU 69 HA GLU 69 0.163 6.305 1.601 496 HB2 GLU 69 1HB GLU 69 -0.806 5.026 -0.216 497 HB3 GLU 69 2HB GLU 69 0.838 5.490 -0.631 498 HG2 GLU 69 1HG GLU 69 1.549 3.198 0.146 499 HG3 GLU 69 2HG GLU 69 -0.164 2.787 0.207 500 H ASP 70 H ASP 70 -1.312 5.969 3.112 501 HA ASP 70 HA ASP 70 -1.395 3.899 4.917 502 HB2 ASP 70 1HB ASP 70 -3.836 5.401 3.960 503 HB3 ASP 70 2HB ASP 70 -3.594 4.654 5.536 504 H CYS 71 H CYS 71 -1.226 1.855 4.087 505 HA CYS 71 HA CYS 71 -3.487 0.924 2.441 506 HB2 CYS 71 1HB CYS 71 -2.048 -0.678 1.399 507 HB3 CYS 71 2HB CYS 71 -1.231 0.878 1.326 508 HG CYS 71 HG CYS 71 0.890 -0.576 1.902 509 H VAL 72 H VAL 72 -3.766 -1.548 2.676 510 HA VAL 72 HA VAL 72 -3.454 -2.318 5.502 511 HB VAL 72 HB VAL 72 -5.913 -2.843 3.828 512 HG11 VAL 72 1HG1 VAL 72 -6.866 -3.554 6.023 513 HG12 VAL 72 2HG1 VAL 72 -5.576 -4.598 5.422 514 HG13 VAL 72 3HG1 VAL 72 -5.246 -3.435 6.707 515 HG21 VAL 72 1HG2 VAL 72 -6.827 -1.317 5.816 516 HG22 VAL 72 2HG2 VAL 72 -5.196 -0.657 5.695 517 HG23 VAL 72 3HG2 VAL 72 -6.258 -0.645 4.287 518 H PHE 73 H PHE 73 -2.049 -3.953 5.468 519 HA PHE 73 HA PHE 73 -1.717 -5.710 3.257 520 HB2 PHE 73 1HB PHE 73 0.002 -5.057 5.066 521 HB3 PHE 73 2HB PHE 73 -0.764 -6.299 6.051 522 HD1 PHE 73 2HD PHE 73 0.313 -6.044 2.483 523 HD2 PHE 73 1HD PHE 73 0.453 -8.231 6.132 524 HE1 PHE 73 2HE PHE 73 1.707 -7.757 1.399 525 HE2 PHE 73 1HE PHE 73 1.849 -9.946 5.054 526 HZ PHE 73 HZ PHE 73 2.477 -9.711 2.684 527 H ILE 74 H ILE 74 -2.429 -7.769 2.926 528 HA ILE 74 HA ILE 74 -4.217 -8.933 4.950 529 HB ILE 74 HB ILE 74 -4.778 -8.937 1.983 530 HG12 ILE 74 1HG1 ILE 74 -6.006 -7.324 4.227 531 HG13 ILE 74 2HG1 ILE 74 -5.119 -6.703 2.839 532 HG21 ILE 74 1HG2 ILE 74 -6.629 -9.747 4.206 533 HG22 ILE 74 2HG2 ILE 74 -6.784 -10.059 2.479 534 HG23 ILE 74 3HG2 ILE 74 -5.545 -10.892 3.417 535 HD11 ILE 74 1HD1 ILE 74 -6.891 -7.458 1.357 536 HD12 ILE 74 2HD1 ILE 74 -7.775 -8.110 2.737 537 HD13 ILE 74 3HD1 ILE 74 -7.515 -6.372 2.598 538 H TYR 75 H TYR 75 -2.794 -10.499 5.604 539 HA TYR 75 HA TYR 75 -1.296 -12.094 3.761 540 HB2 TYR 75 1HB TYR 75 -0.630 -11.580 6.146 541 HB3 TYR 75 2HB TYR 75 -1.868 -12.720 6.660 542 HD1 TYR 75 1HD TYR 75 -1.689 -15.126 5.727 543 HD2 TYR 75 2HD TYR 75 1.521 -12.334 5.671 544 HE1 TYR 75 1HE TYR 75 -0.090 -16.978 5.482 545 HE2 TYR 75 2HE TYR 75 3.129 -14.178 5.426 546 HH TYR 75 HH TYR 75 2.203 -17.331 4.627 547 H CYS 76 H CYS 76 -2.752 -13.053 2.349 548 HA CYS 76 HA CYS 76 -4.794 -14.820 3.469 549 HB2 CYS 76 1HB CYS 76 -5.423 -13.284 1.632 550 HB3 CYS 76 2HB CYS 76 -4.251 -14.078 0.587 551 HG CYS 76 HG CYS 76 -5.610 -16.306 0.127 552 H GLN 77 H GLN 77 -4.814 -17.018 3.189 553 HA GLN 77 HA GLN 77 -2.313 -18.190 2.172 554 HB2 GLN 77 1HB GLN 77 -4.269 -19.230 4.227 555 HB3 GLN 77 2HB GLN 77 -2.898 -20.147 3.615 556 HG2 GLN 77 1HG GLN 77 -1.367 -18.886 4.744 557 HG3 GLN 77 2HG GLN 77 -2.396 -17.454 4.762 558 HE21 GLN 77 1HE2 GLN 77 -4.555 -17.944 5.997 559 HE22 GLN 77 2HE2 GLN 77 -4.335 -18.646 7.560 560 H VAL 78 H VAL 78 -2.522 -19.024 0.209 561 HA VAL 78 HA VAL 78 -4.890 -19.547 -1.136 562 HB VAL 78 HB VAL 78 -3.563 -20.855 -2.729 563 HG11 VAL 78 1HG1 VAL 78 -3.481 -18.471 -2.958 564 HG12 VAL 78 2HG1 VAL 78 -2.239 -18.345 -1.711 565 HG13 VAL 78 3HG1 VAL 78 -1.865 -19.110 -3.256 566 HG21 VAL 78 1HG2 VAL 78 -1.114 -21.127 -2.286 567 HG22 VAL 78 2HG2 VAL 78 -1.426 -20.668 -0.611 568 HG23 VAL 78 3HG2 VAL 78 -2.158 -22.128 -1.277 569 H GLY 79 H GLY 79 -2.901 -21.705 0.835 570 HA2 GLY 79 1HA GLY 79 -4.630 -23.306 1.995 571 HA3 GLY 79 2HA GLY 79 -4.766 -23.910 0.351 572 H ASP 80 H ASP 80 -4.079 -25.931 1.446 573 HA ASP 80 HA ASP 80 -1.557 -26.284 2.594 574 HB2 ASP 80 1HB ASP 80 -3.027 -28.343 0.943 575 HB3 ASP 80 2HB ASP 80 -1.872 -28.637 2.241 576 H LYS 81 H LYS 81 0.132 -27.802 1.531 577 HA LYS 81 HA LYS 81 1.392 -26.391 -0.531 578 HB2 LYS 81 1HB LYS 81 2.924 -27.629 0.623 579 HB3 LYS 81 2HB LYS 81 1.823 -28.982 0.847 580 HG2 LYS 81 1HG LYS 81 2.373 -29.944 -1.158 581 HG3 LYS 81 2HG LYS 81 2.859 -28.411 -1.885 582 HD2 LYS 81 1HD LYS 81 4.903 -29.419 -1.559 583 HD3 LYS 81 2HD LYS 81 4.741 -28.491 -0.066 584 HE2 LYS 81 1HE LYS 81 3.764 -31.317 -0.218 585 HE3 LYS 81 2HE LYS 81 5.472 -30.975 0.053 586 HZ1 LYS 81 1HZ LYS 81 3.492 -29.609 1.726 587 HZ2 LYS 81 2HZ LYS 81 5.068 -30.093 2.102 588 HZ3 LYS 81 3HZ LYS 81 3.823 -31.237 2.045 589 HA PRO 82 HA PRO 82 -0.015 -29.909 -3.531 590 HB2 PRO 82 1HB PRO 82 -1.894 -31.643 -2.619 591 HB3 PRO 82 2HB PRO 82 -0.159 -31.916 -2.423 592 HG2 PRO 82 1HG PRO 82 -2.140 -30.838 -0.455 593 HG3 PRO 82 2HG PRO 82 -0.838 -32.014 -0.201 594 HD2 PRO 82 1HD PRO 82 -0.603 -29.408 0.494 595 HD3 PRO 82 2HD PRO 82 0.780 -30.379 -0.050 596 H TYR 83 H TYR 83 -2.157 -28.233 -1.409 597 HA TYR 83 HA TYR 83 -4.484 -28.381 -3.067 598 HB2 TYR 83 1HB TYR 83 -4.812 -27.989 -0.728 599 HB3 TYR 83 2HB TYR 83 -3.739 -26.594 -0.749 600 HD1 TYR 83 2HD TYR 83 -4.468 -24.554 -2.103 601 HD2 TYR 83 1HD TYR 83 -7.112 -27.729 -1.089 602 HE1 TYR 83 2HE TYR 83 -6.391 -23.075 -2.510 603 HE2 TYR 83 1HE TYR 83 -9.042 -26.260 -1.495 604 HH TYR 83 HH TYR 83 -9.663 -24.280 -2.535 605 H TRP 84 H TRP 84 -1.922 -25.996 -2.549 606 HA TRP 84 HA TRP 84 -2.920 -23.903 -4.069 607 HB2 TRP 84 1HB TRP 84 -0.999 -23.397 -2.843 608 HB3 TRP 84 2HB TRP 84 -0.137 -24.821 -3.421 609 HD1 TRP 84 HD TRP 84 1.883 -23.950 -4.731 610 HE1 TRP 84 1HE TRP 84 2.264 -22.199 -6.579 611 HE3 TRP 84 3HE TRP 84 -2.833 -21.991 -4.978 612 HZ2 TRP 84 2HZ TRP 84 0.764 -20.246 -7.959 613 HZ3 TRP 84 3HZ TRP 84 -3.277 -20.184 -6.589 614 HH2 TRP 84 HH TRP 84 -1.514 -19.331 -8.047 615 H LYS 85 H LYS 85 -1.072 -26.739 -5.102 616 HA LYS 85 HA LYS 85 -0.612 -26.060 -7.750 617 HB2 LYS 85 1HB LYS 85 -1.221 -28.784 -6.586 618 HB3 LYS 85 2HB LYS 85 -0.538 -28.504 -8.182 619 HG2 LYS 85 1HG LYS 85 1.407 -27.412 -7.117 620 HG3 LYS 85 2HG LYS 85 0.732 -27.822 -5.539 621 HD2 LYS 85 1HD LYS 85 0.728 -30.235 -6.332 622 HD3 LYS 85 2HD LYS 85 1.722 -29.686 -7.684 623 HE2 LYS 85 1HE LYS 85 3.517 -29.167 -6.320 624 HE3 LYS 85 2HE LYS 85 2.509 -29.002 -4.883 625 HZ1 LYS 85 1HZ LYS 85 2.124 -31.561 -5.419 626 HZ2 LYS 85 2HZ LYS 85 3.392 -31.016 -4.441 627 HZ3 LYS 85 3HZ LYS 85 3.678 -31.391 -6.066 628 H ASP 86 H ASP 86 -3.495 -27.432 -6.253 629 HA ASP 86 HA ASP 86 -5.026 -28.266 -8.300 630 HB2 ASP 86 1HB ASP 86 -5.962 -26.400 -6.110 631 HB3 ASP 86 2HB ASP 86 -7.004 -27.421 -7.096 632 HA PRO 87 HA PRO 87 -4.765 -24.606 -10.953 633 HB2 PRO 87 1HB PRO 87 -5.499 -25.930 -13.206 634 HB3 PRO 87 2HB PRO 87 -3.850 -25.957 -12.571 635 HG2 PRO 87 1HG PRO 87 -6.024 -27.995 -12.284 636 HG3 PRO 87 2HG PRO 87 -4.301 -28.237 -12.625 637 HD2 PRO 87 1HD PRO 87 -5.360 -28.582 -10.157 638 HD3 PRO 87 2HD PRO 87 -3.701 -28.004 -10.412 639 H ASN 88 H ASN 88 -7.332 -26.500 -9.879 640 HA ASN 88 HA ASN 88 -9.324 -24.963 -11.392 641 HB2 ASN 88 1HB ASN 88 -10.949 -26.624 -10.617 642 HB3 ASN 88 2HB ASN 88 -9.588 -27.410 -11.412 643 HD21 ASN 88 1HD2 ASN 88 -7.953 -28.371 -10.062 644 HD22 ASN 88 2HD2 ASN 88 -8.385 -28.984 -8.505 645 H ASN 89 H ASN 89 -7.669 -24.030 -9.054 646 HA ASN 89 HA ASN 89 -9.607 -23.681 -6.932 647 HB2 ASN 89 1HB ASN 89 -6.731 -22.961 -7.332 648 HB3 ASN 89 2HB ASN 89 -7.658 -22.107 -6.102 649 HD21 ASN 89 1HD2 ASN 89 -5.457 -23.709 -5.532 650 HD22 ASN 89 2HD2 ASN 89 -5.990 -25.077 -4.622 651 H ASP 90 H ASP 90 -10.154 -21.528 -6.108 652 HA ASP 90 HA ASP 90 -11.137 -19.853 -8.191 653 HB2 ASP 90 1HB ASP 90 -11.567 -18.326 -6.055 654 HB3 ASP 90 2HB ASP 90 -12.551 -19.748 -6.391 655 H PHE 91 H PHE 91 -8.155 -20.049 -6.621 656 HA PHE 91 HA PHE 91 -7.459 -17.267 -6.734 657 HB2 PHE 91 1HB PHE 91 -5.801 -19.760 -6.324 658 HB3 PHE 91 2HB PHE 91 -5.138 -18.130 -6.274 659 HD1 PHE 91 2HD PHE 91 -5.907 -16.550 -4.507 660 HD2 PHE 91 1HD PHE 91 -6.942 -20.679 -4.481 661 HE1 PHE 91 2HE PHE 91 -6.499 -16.383 -2.125 662 HE2 PHE 91 1HE PHE 91 -7.537 -20.518 -2.099 663 HZ PHE 91 HZ PHE 91 -7.314 -18.368 -0.917 664 H ARG 92 H ARG 92 -6.962 -20.096 -8.770 665 HA ARG 92 HA ARG 92 -5.440 -18.508 -10.693 666 HB2 ARG 92 1HB ARG 92 -6.140 -21.437 -10.884 667 HB3 ARG 92 2HB ARG 92 -4.888 -20.571 -11.765 668 HG2 ARG 92 1HG ARG 92 -3.562 -20.333 -9.805 669 HG3 ARG 92 2HG ARG 92 -4.871 -20.921 -8.779 670 HD2 ARG 92 1HD ARG 92 -4.672 -23.119 -9.618 671 HD3 ARG 92 2HD ARG 92 -3.659 -22.593 -10.962 672 HE ARG 92 HE ARG 92 -2.559 -22.139 -8.323 673 HH11 ARG 92 2HH1 ARG 92 -2.765 -24.261 -11.076 674 HH12 ARG 92 1HH1 ARG 92 -1.291 -25.093 -10.709 675 HH21 ARG 92 2HH2 ARG 92 -0.616 -23.228 -7.830 676 HH22 ARG 92 1HH2 ARG 92 -0.070 -24.506 -8.862 677 H GLN 93 H GLN 93 -8.620 -19.367 -10.069 678 HA GLN 93 HA GLN 93 -9.406 -19.265 -12.890 679 HB2 GLN 93 1HB GLN 93 -11.091 -19.873 -10.455 680 HB3 GLN 93 2HB GLN 93 -11.602 -20.013 -12.131 681 HG2 GLN 93 1HG GLN 93 -9.213 -21.546 -11.268 682 HG3 GLN 93 2HG GLN 93 -10.799 -22.099 -10.735 683 HE21 GLN 93 1HE2 GLN 93 -8.528 -22.426 -13.069 684 HE22 GLN 93 2HE2 GLN 93 -9.513 -23.019 -14.359 685 H LYS 94 H LYS 94 -10.040 -17.680 -9.784 686 HA LYS 94 HA LYS 94 -11.483 -15.541 -11.164 687 HB2 LYS 94 1HB LYS 94 -11.080 -15.944 -8.196 688 HB3 LYS 94 2HB LYS 94 -12.183 -14.808 -8.961 689 HG2 LYS 94 1HG LYS 94 -13.211 -16.944 -10.033 690 HG3 LYS 94 2HG LYS 94 -12.397 -17.771 -8.703 691 HD2 LYS 94 1HD LYS 94 -13.534 -15.993 -7.210 692 HD3 LYS 94 2HD LYS 94 -14.588 -15.727 -8.601 693 HE2 LYS 94 1HE LYS 94 -15.111 -18.158 -8.590 694 HE3 LYS 94 2HE LYS 94 -14.164 -18.316 -7.111 695 HZ1 LYS 94 1HZ LYS 94 -16.813 -17.205 -7.502 696 HZ2 LYS 94 2HZ LYS 94 -15.817 -16.332 -6.450 697 HZ3 LYS 94 3HZ LYS 94 -16.145 -17.964 -6.145 698 H LEU 95 H LEU 95 -8.865 -15.882 -8.768 699 HA LEU 95 HA LEU 95 -8.017 -13.160 -9.124 700 HB2 LEU 95 1HB LEU 95 -6.957 -15.509 -7.592 701 HB3 LEU 95 2HB LEU 95 -6.026 -14.019 -7.737 702 HG LEU 95 HG LEU 95 -8.756 -14.287 -6.479 703 HD11 LEU 95 1HD1 LEU 95 -7.441 -15.146 -4.842 704 HD12 LEU 95 2HD1 LEU 95 -7.194 -13.433 -4.504 705 HD13 LEU 95 3HD1 LEU 95 -5.988 -14.332 -5.425 706 HD21 LEU 95 1HD2 LEU 95 -8.711 -12.124 -7.334 707 HD22 LEU 95 2HD2 LEU 95 -6.982 -11.938 -7.041 708 HD23 LEU 95 3HD2 LEU 95 -8.113 -11.922 -5.687 709 H LYS 96 H LYS 96 -7.420 -16.114 -10.708 710 HA LYS 96 HA LYS 96 -5.915 -16.798 -12.282 711 HB2 LYS 96 1HB LYS 96 -5.994 -13.837 -12.884 712 HB3 LYS 96 2HB LYS 96 -5.310 -15.054 -13.955 713 HG2 LYS 96 1HG LYS 96 -8.115 -15.403 -13.041 714 HG3 LYS 96 2HG LYS 96 -7.771 -14.170 -14.256 715 HD2 LYS 96 1HD LYS 96 -6.606 -16.876 -14.648 716 HD3 LYS 96 2HD LYS 96 -8.338 -16.675 -14.918 717 HE2 LYS 96 1HE LYS 96 -6.358 -14.795 -16.153 718 HE3 LYS 96 2HE LYS 96 -6.712 -16.352 -16.902 719 HZ1 LYS 96 1HZ LYS 96 -8.401 -13.986 -16.644 720 HZ2 LYS 96 2HZ LYS 96 -9.168 -15.489 -16.528 721 HZ3 LYS 96 3HZ LYS 96 -8.281 -15.097 -17.914 722 H ILE 97 H ILE 97 -4.704 -16.580 -9.844 723 HA ILE 97 HA ILE 97 -2.417 -14.949 -9.748 724 HB ILE 97 HB ILE 97 -2.912 -17.625 -8.439 725 HG12 ILE 97 1HG1 ILE 97 -4.473 -15.700 -7.902 726 HG13 ILE 97 2HG1 ILE 97 -3.627 -16.399 -6.526 727 HG21 ILE 97 1HG2 ILE 97 -0.761 -15.570 -7.969 728 HG22 ILE 97 2HG2 ILE 97 -1.133 -16.881 -6.850 729 HG23 ILE 97 3HG2 ILE 97 -0.554 -17.247 -8.475 730 HD11 ILE 97 1HD1 ILE 97 -2.718 -13.921 -7.960 731 HD12 ILE 97 2HD1 ILE 97 -3.750 -13.915 -6.530 732 HD13 ILE 97 3HD1 ILE 97 -2.114 -14.567 -6.435 733 H THR 98 H THR 98 -0.185 -15.548 -9.985 734 HA THR 98 HA THR 98 0.221 -17.337 -12.266 735 HB THR 98 HB THR 98 2.190 -15.389 -11.055 736 HG1 THR 98 1HG THR 98 0.051 -14.677 -12.185 737 HG21 THR 98 1HG2 THR 98 3.168 -17.217 -12.403 738 HG22 THR 98 2HG2 THR 98 3.385 -15.635 -13.153 739 HG23 THR 98 3HG2 THR 98 2.148 -16.736 -13.758 740 H ALA 99 H ALA 99 2.222 -16.491 -9.439 741 HA ALA 99 HA ALA 99 2.436 -19.285 -8.688 742 HB1 ALA 99 1HB ALA 99 4.710 -19.579 -9.042 743 HB2 ALA 99 2HB ALA 99 4.193 -18.723 -10.495 744 HB3 ALA 99 3HB ALA 99 5.011 -17.848 -9.201 745 H VAL 100 H VAL 100 2.281 -19.351 -6.553 746 HA VAL 100 HA VAL 100 2.582 -17.000 -4.948 747 HB VAL 100 HB VAL 100 1.906 -18.341 -3.085 748 HG11 VAL 100 1HG1 VAL 100 -0.069 -17.981 -4.112 749 HG12 VAL 100 2HG1 VAL 100 0.496 -18.620 -5.657 750 HG13 VAL 100 3HG1 VAL 100 -0.014 -19.723 -4.379 751 HG21 VAL 100 1HG2 VAL 100 2.917 -20.562 -4.761 752 HG22 VAL 100 2HG2 VAL 100 3.021 -20.318 -3.017 753 HG23 VAL 100 3HG2 VAL 100 1.521 -20.902 -3.738 754 HA PRO 101 HA PRO 101 2.907 -16.596 -2.716 755 HB2 PRO 101 1HB PRO 101 4.506 -14.555 -1.913 756 HB3 PRO 101 2HB PRO 101 4.357 -16.069 -1.014 757 HG2 PRO 101 1HG PRO 101 6.492 -15.203 -2.925 758 HG3 PRO 101 2HG PRO 101 6.655 -16.030 -1.365 759 HD2 PRO 101 1HD PRO 101 6.808 -17.339 -3.730 760 HD3 PRO 101 2HD PRO 101 6.152 -18.092 -2.263 761 H THR 102 H THR 102 1.718 -14.910 -3.487 762 HA THR 102 HA THR 102 2.851 -13.381 -5.739 763 HB THR 102 HB THR 102 0.050 -14.474 -5.446 764 HG1 THR 102 1HG THR 102 2.068 -15.619 -6.436 765 HG21 THR 102 1HG2 THR 102 1.142 -12.592 -7.542 766 HG22 THR 102 2HG2 THR 102 -0.052 -12.188 -6.308 767 HG23 THR 102 3HG2 THR 102 -0.448 -13.353 -7.571 768 H LEU 103 H LEU 103 3.146 -11.354 -5.087 769 HA LEU 103 HA LEU 103 1.348 -10.181 -3.108 770 HB2 LEU 103 1HB LEU 103 3.780 -9.984 -2.801 771 HB3 LEU 103 2HB LEU 103 3.887 -9.096 -4.319 772 HG LEU 103 HG LEU 103 2.448 -7.326 -3.295 773 HD11 LEU 103 1HD1 LEU 103 1.372 -8.625 -1.569 774 HD12 LEU 103 2HD1 LEU 103 2.278 -7.302 -0.836 775 HD13 LEU 103 3HD1 LEU 103 2.925 -8.942 -0.795 776 HD21 LEU 103 1HD2 LEU 103 4.739 -6.844 -3.395 777 HD22 LEU 103 2HD2 LEU 103 5.132 -8.020 -2.141 778 HD23 LEU 103 3HD2 LEU 103 4.289 -6.529 -1.719 779 H LEU 104 H LEU 104 -0.506 -9.677 -4.212 780 HA LEU 104 HA LEU 104 -0.290 -8.028 -6.620 781 HB2 LEU 104 1HB LEU 104 -1.828 -9.690 -7.035 782 HB3 LEU 104 2HB LEU 104 -2.443 -9.678 -5.383 783 HG LEU 104 HG LEU 104 -3.480 -7.425 -5.949 784 HD11 LEU 104 1HD1 LEU 104 -3.681 -6.728 -8.150 785 HD12 LEU 104 2HD1 LEU 104 -3.238 -8.307 -8.798 786 HD13 LEU 104 3HD1 LEU 104 -2.007 -7.278 -8.066 787 HD21 LEU 104 1HD2 LEU 104 -4.556 -9.795 -5.913 788 HD22 LEU 104 2HD2 LEU 104 -4.620 -9.590 -7.664 789 HD23 LEU 104 3HD2 LEU 104 -5.444 -8.439 -6.610 790 H LYS 105 H LYS 105 -0.817 -5.921 -6.676 791 HA LYS 105 HA LYS 105 -1.549 -4.652 -4.143 792 HB2 LYS 105 1HB LYS 105 0.437 -3.786 -5.272 793 HB3 LYS 105 2HB LYS 105 -0.506 -3.468 -6.723 794 HG2 LYS 105 1HG LYS 105 -1.759 -1.760 -5.617 795 HG3 LYS 105 2HG LYS 105 -1.035 -2.170 -4.060 796 HD2 LYS 105 1HD LYS 105 1.125 -1.423 -4.806 797 HD3 LYS 105 2HD LYS 105 0.521 -1.180 -6.447 798 HE2 LYS 105 1HE LYS 105 -1.076 0.509 -5.504 799 HE3 LYS 105 2HE LYS 105 -0.227 0.357 -3.966 800 HZ1 LYS 105 1HZ LYS 105 0.435 1.989 -6.106 801 HZ2 LYS 105 2HZ LYS 105 1.631 0.794 -6.044 802 HZ3 LYS 105 3HZ LYS 105 1.318 1.749 -4.683 803 H TYR 106 H TYR 106 -3.766 -5.091 -4.103 804 HA TYR 106 HA TYR 106 -5.652 -4.911 -6.038 805 HB2 TYR 106 1HB TYR 106 -5.833 -5.286 -3.430 806 HB3 TYR 106 2HB TYR 106 -6.277 -3.583 -3.433 807 HD1 TYR 106 2HD TYR 106 -7.102 -6.519 -5.605 808 HD2 TYR 106 1HD TYR 106 -8.550 -3.282 -3.255 809 HE1 TYR 106 2HE TYR 106 -9.410 -7.128 -6.199 810 HE2 TYR 106 1HE TYR 106 -10.862 -3.883 -3.841 811 HH TYR 106 HH TYR 106 -11.620 -6.063 -6.327 812 H GLY 107 H GLY 107 -5.808 -3.422 -7.590 813 HA2 GLY 107 1HA GLY 107 -6.897 -1.151 -7.841 814 HA3 GLY 107 2HA GLY 107 -5.589 -0.581 -6.815 815 H THR 108 H THR 108 -3.559 -2.248 -8.015 816 HA THR 108 HA THR 108 -3.394 -1.054 -10.703 817 HB THR 108 HB THR 108 -0.959 -0.738 -10.348 818 HG1 THR 108 1HG THR 108 -0.671 -2.231 -8.636 819 HG21 THR 108 1HG2 THR 108 -2.524 0.699 -8.212 820 HG22 THR 108 2HG2 THR 108 -2.684 1.066 -9.929 821 HG23 THR 108 3HG2 THR 108 -1.133 1.286 -9.120 822 HA PRO 109 HA PRO 109 -2.369 -5.069 -12.167 823 HB2 PRO 109 1HB PRO 109 -0.836 -4.432 -14.315 824 HB3 PRO 109 2HB PRO 109 -2.589 -4.209 -14.286 825 HG2 PRO 109 1HG PRO 109 -0.415 -2.200 -13.837 826 HG3 PRO 109 2HG PRO 109 -1.911 -2.039 -14.775 827 HD2 PRO 109 1HD PRO 109 -1.645 -1.037 -12.273 828 HD3 PRO 109 2HD PRO 109 -3.193 -1.641 -12.901 829 H GLN 110 H GLN 110 -0.169 -3.090 -10.674 830 HA GLN 110 HA GLN 110 2.247 -4.513 -11.282 831 HB2 GLN 110 1HB GLN 110 1.473 -2.351 -9.366 832 HB3 GLN 110 2HB GLN 110 2.985 -3.214 -9.116 833 HG2 GLN 110 1HG GLN 110 3.396 -2.646 -11.626 834 HG3 GLN 110 2HG GLN 110 2.185 -1.397 -11.338 835 HE21 GLN 110 1HE2 GLN 110 2.669 -0.403 -8.970 836 HE22 GLN 110 2HE2 GLN 110 4.274 0.222 -8.833 837 H LYS 111 H LYS 111 2.850 -6.401 -10.474 838 HA LYS 111 HA LYS 111 2.097 -7.127 -7.749 839 HB2 LYS 111 1HB LYS 111 1.309 -9.337 -8.410 840 HB3 LYS 111 2HB LYS 111 0.338 -8.086 -9.173 841 HG2 LYS 111 1HG LYS 111 0.650 -9.464 -10.951 842 HG3 LYS 111 2HG LYS 111 2.067 -8.428 -11.136 843 HD2 LYS 111 1HD LYS 111 3.058 -10.482 -11.308 844 HD3 LYS 111 2HD LYS 111 3.163 -10.246 -9.562 845 HE2 LYS 111 1HE LYS 111 1.127 -11.559 -9.259 846 HE3 LYS 111 2HE LYS 111 0.997 -11.776 -11.003 847 HZ1 LYS 111 1HZ LYS 111 3.215 -12.877 -10.900 848 HZ2 LYS 111 2HZ LYS 111 1.980 -13.721 -10.111 849 HZ3 LYS 111 3HZ LYS 111 3.108 -12.838 -9.212 850 H LEU 112 H LEU 112 3.503 -8.578 -6.757 851 HA LEU 112 HA LEU 112 5.994 -9.079 -8.243 852 HB2 LEU 112 1HB LEU 112 5.647 -8.945 -5.256 853 HB3 LEU 112 2HB LEU 112 7.162 -9.015 -6.153 854 HG LEU 112 HG LEU 112 5.231 -6.699 -6.048 855 HD11 LEU 112 1HD1 LEU 112 7.893 -6.056 -5.299 856 HD12 LEU 112 2HD1 LEU 112 7.387 -7.474 -4.381 857 HD13 LEU 112 3HD1 LEU 112 6.426 -5.996 -4.322 858 HD21 LEU 112 1HD2 LEU 112 7.285 -5.624 -7.269 859 HD22 LEU 112 2HD2 LEU 112 6.049 -6.489 -8.183 860 HD23 LEU 112 3HD2 LEU 112 7.576 -7.282 -7.794 861 H VAL 113 H VAL 113 6.614 -11.114 -8.583 862 HA VAL 113 HA VAL 113 5.003 -13.269 -7.465 863 HB VAL 113 HB VAL 113 7.262 -13.849 -9.307 864 HG11 VAL 113 1HG1 VAL 113 5.012 -15.072 -10.255 865 HG12 VAL 113 2HG1 VAL 113 6.150 -15.786 -9.110 866 HG13 VAL 113 3HG1 VAL 113 4.686 -14.995 -8.524 867 HG21 VAL 113 1HG2 VAL 113 4.832 -12.255 -10.057 868 HG22 VAL 113 2HG2 VAL 113 6.523 -11.946 -10.451 869 HG23 VAL 113 3HG2 VAL 113 5.665 -13.275 -11.230 870 H GLU 114 H GLU 114 6.360 -15.370 -7.057 871 HA GLU 114 HA GLU 114 7.569 -15.358 -4.694 872 HB2 GLU 114 1HB GLU 114 8.834 -16.958 -6.909 873 HB3 GLU 114 2HB GLU 114 8.655 -17.394 -5.216 874 HG2 GLU 114 1HG GLU 114 6.157 -17.389 -5.620 875 HG3 GLU 114 2HG GLU 114 6.538 -17.299 -7.339 876 H SER 115 H SER 115 9.580 -15.198 -7.639 877 HA SER 115 HA SER 115 11.974 -14.562 -6.400 878 HB2 SER 115 1HB SER 115 11.041 -13.653 -9.134 879 HB3 SER 115 2HB SER 115 12.714 -13.720 -8.582 880 HG SER 115 HG SER 115 12.738 -15.788 -8.957 881 H GLU 116 H GLU 116 9.549 -12.340 -7.758 882 HA GLU 116 HA GLU 116 10.921 -9.976 -7.015 883 HB2 GLU 116 1HB GLU 116 7.955 -10.308 -7.485 884 HB3 GLU 116 2HB GLU 116 8.875 -8.813 -7.576 885 HG2 GLU 116 1HG GLU 116 10.221 -10.075 -9.411 886 HG3 GLU 116 2HG GLU 116 8.789 -11.102 -9.483 887 H CYS 117 H CYS 117 9.175 -12.246 -5.209 888 HA CYS 117 HA CYS 117 8.366 -10.378 -3.138 889 HB2 CYS 117 1HB CYS 117 8.097 -13.369 -3.437 890 HB3 CYS 117 2HB CYS 117 7.613 -12.513 -1.978 891 HG CYS 117 HG CYS 117 6.264 -12.132 -5.098 892 H CYS 118 H CYS 118 11.184 -11.882 -3.988 893 HA CYS 118 HA CYS 118 12.117 -12.062 -1.202 894 HB2 CYS 118 1HB CYS 118 12.407 -14.166 -2.306 895 HB3 CYS 118 2HB CYS 118 13.119 -13.395 -3.718 896 HG CYS 118 HG CYS 118 15.398 -14.284 -2.824 897 H GLN 119 H GLN 119 12.183 -10.105 -3.887 898 HA GLN 119 HA GLN 119 14.862 -9.057 -3.322 899 HB2 GLN 119 1HB GLN 119 12.983 -8.789 -5.648 900 HB3 GLN 119 2HB GLN 119 14.288 -7.633 -5.417 901 HG2 GLN 119 1HG GLN 119 14.658 -9.676 -6.948 902 HG3 GLN 119 2HG GLN 119 15.929 -9.193 -5.826 903 HE21 GLN 119 1HE2 GLN 119 14.137 -11.736 -6.962 904 HE22 GLN 119 2HE2 GLN 119 14.424 -12.868 -5.689 905 H SER 120 H SER 120 14.529 -7.886 -1.456 906 HA SER 120 HA SER 120 12.463 -6.315 -0.677 907 HB2 SER 120 1HB SER 120 14.462 -4.745 0.194 908 HB3 SER 120 2HB SER 120 14.091 -6.305 0.929 909 HG SER 120 HG SER 120 16.373 -5.760 0.186 910 H SER 121 H SER 121 15.142 -5.256 -2.767 911 HA SER 121 HA SER 121 14.642 -2.648 -3.176 912 HB2 SER 121 1HB SER 121 16.380 -4.004 -4.364 913 HB3 SER 121 2HB SER 121 15.123 -4.572 -5.462 914 HG SER 121 HG SER 121 14.785 -2.096 -5.633 915 H LEU 122 H LEU 122 12.730 -5.306 -4.468 916 HA LEU 122 HA LEU 122 11.014 -3.577 -6.004 917 HB2 LEU 122 1HB LEU 122 10.799 -6.492 -5.272 918 HB3 LEU 122 2HB LEU 122 9.679 -5.650 -6.341 919 HG LEU 122 HG LEU 122 12.603 -5.719 -6.979 920 HD11 LEU 122 1HD1 LEU 122 12.626 -7.862 -7.592 921 HD12 LEU 122 2HD1 LEU 122 11.015 -7.768 -8.303 922 HD13 LEU 122 3HD1 LEU 122 11.199 -8.044 -6.572 923 HD21 LEU 122 1HD2 LEU 122 11.071 -4.239 -8.229 924 HD22 LEU 122 2HD2 LEU 122 10.132 -5.653 -8.708 925 HD23 LEU 122 3HD2 LEU 122 11.804 -5.480 -9.245 926 H VAL 123 H VAL 123 10.649 -5.543 -3.060 927 HA VAL 123 HA VAL 123 8.031 -4.997 -2.428 928 HB VAL 123 HB VAL 123 10.365 -5.264 -0.530 929 HG11 VAL 123 1HG1 VAL 123 8.843 -5.611 1.236 930 HG12 VAL 123 2HG1 VAL 123 8.280 -4.160 0.405 931 HG13 VAL 123 3HG1 VAL 123 7.467 -5.702 0.137 932 HG21 VAL 123 1HG2 VAL 123 8.317 -7.329 -1.307 933 HG22 VAL 123 2HG2 VAL 123 9.877 -7.164 -2.112 934 HG23 VAL 123 3HG2 VAL 123 9.809 -7.570 -0.397 935 H GLU 124 H GLU 124 10.894 -3.053 -1.629 936 HA GLU 124 HA GLU 124 9.381 -1.027 -0.287 937 HB2 GLU 124 1HB GLU 124 11.478 0.209 -0.201 938 HB3 GLU 124 2HB GLU 124 11.737 -1.467 0.261 939 HG2 GLU 124 1HG GLU 124 12.752 -1.977 -1.817 940 HG3 GLU 124 2HG GLU 124 12.257 -0.434 -2.511 941 H MET 125 H MET 125 10.025 -1.751 -3.545 942 HA MET 125 HA MET 125 9.830 0.950 -4.531 943 HB2 MET 125 1HB MET 125 11.121 -0.877 -5.676 944 HB3 MET 125 2HB MET 125 9.584 -1.625 -6.090 945 HG2 MET 125 1HG MET 125 9.008 0.611 -7.190 946 HG3 MET 125 2HG MET 125 10.729 0.966 -7.058 947 HE1 MET 125 1HE MET 125 8.209 -1.769 -8.138 948 HE2 MET 125 2HE MET 125 8.046 -0.511 -9.363 949 HE3 MET 125 3HE MET 125 8.704 -2.089 -9.801 950 H ILE 126 H ILE 126 7.785 -1.954 -4.892 951 HA ILE 126 HA ILE 126 5.607 -0.793 -6.110 952 HB ILE 126 HB ILE 126 5.982 -3.258 -5.564 953 HG12 ILE 126 1HG1 ILE 126 3.175 -2.427 -4.914 954 HG13 ILE 126 2HG1 ILE 126 3.855 -2.044 -6.492 955 HG21 ILE 126 1HG2 ILE 126 5.609 -4.094 -3.510 956 HG22 ILE 126 2HG2 ILE 126 5.935 -2.443 -2.987 957 HG23 ILE 126 3HG2 ILE 126 4.271 -2.991 -3.190 958 HD11 ILE 126 1HD1 ILE 126 4.444 -4.734 -6.079 959 HD12 ILE 126 2HD1 ILE 126 2.787 -4.521 -5.510 960 HD13 ILE 126 3HD1 ILE 126 3.222 -4.055 -7.155 961 H PHE 127 H PHE 127 6.643 -0.517 -2.815 962 HA PHE 127 HA PHE 127 4.112 0.621 -1.942 963 HB2 PHE 127 1HB PHE 127 6.716 0.173 -0.470 964 HB3 PHE 127 2HB PHE 127 5.250 0.815 0.264 965 HD1 PHE 127 2HD PHE 127 3.185 -0.889 -0.931 966 HD2 PHE 127 1HD PHE 127 7.052 -1.879 0.545 967 HE1 PHE 127 2HE PHE 127 2.416 -3.178 -0.463 968 HE2 PHE 127 1HE PHE 127 6.290 -4.170 1.015 969 HZ PHE 127 HZ PHE 127 3.969 -4.823 0.512 970 H SER 128 H SER 128 7.455 1.633 -2.499 971 HA SER 128 HA SER 128 7.147 4.299 -1.628 972 HB2 SER 128 1HB SER 128 9.366 3.456 -1.829 973 HB3 SER 128 2HB SER 128 9.112 2.989 -3.510 974 HG SER 128 HG SER 128 10.294 4.934 -3.346 975 H GLU 129 H GLU 129 7.314 3.020 -4.957 976 HA GLU 129 HA GLU 129 6.293 5.490 -6.038 977 HB2 GLU 129 1HB GLU 129 7.986 4.045 -7.201 978 HB3 GLU 129 2HB GLU 129 6.715 2.859 -7.461 979 HG2 GLU 129 1HG GLU 129 5.461 4.865 -8.557 980 HG3 GLU 129 2HG GLU 129 7.081 5.546 -8.694 981 H ASP 130 H ASP 130 4.271 5.916 -6.761 982 HA ASP 130 HA ASP 130 2.030 4.906 -5.685 983 HB2 ASP 130 1HB ASP 130 0.770 5.905 -7.423 984 HB3 ASP 130 2HB ASP 130 2.249 6.856 -7.313 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -3.734 28.226 15.401 2 HA2 GLY 1 1HA GLY 1 -4.553 27.647 12.621 3 HA3 GLY 1 2HA GLY 1 -2.949 28.203 13.075 4 H SER 2 H SER 2 -5.067 25.634 14.342 5 HA SER 2 HA SER 2 -2.785 23.811 14.293 6 HB2 SER 2 1HB SER 2 -4.143 22.362 15.714 7 HB3 SER 2 2HB SER 2 -4.126 23.999 16.369 8 HG SER 2 HG SER 2 -6.194 22.773 14.863 9 H GLU 3 H GLU 3 -2.822 21.805 13.262 10 HA GLU 3 HA GLU 3 -5.081 21.159 11.542 11 HB2 GLU 3 1HB GLU 3 -3.448 22.671 10.285 12 HB3 GLU 3 2HB GLU 3 -2.317 21.327 10.354 13 HG2 GLU 3 1HG GLU 3 -3.588 20.012 8.941 14 HG3 GLU 3 2HG GLU 3 -5.063 20.925 9.252 15 H GLY 4 H GLY 4 -5.469 19.047 11.636 16 HA2 GLY 4 1HA GLY 4 -3.452 17.301 12.819 17 HA3 GLY 4 2HA GLY 4 -5.147 16.912 12.566 18 H ALA 5 H ALA 5 -2.346 17.809 10.545 19 HA ALA 5 HA ALA 5 -3.256 15.957 8.489 20 HB1 ALA 5 1HB ALA 5 -1.838 18.398 8.480 21 HB2 ALA 5 2HB ALA 5 -0.760 17.164 7.828 22 HB3 ALA 5 3HB ALA 5 -2.344 17.424 7.100 23 H ALA 6 H ALA 6 -2.468 13.973 8.227 24 HA ALA 6 HA ALA 6 -0.716 12.766 10.035 25 HB1 ALA 6 1HB ALA 6 -1.122 10.845 8.910 26 HB2 ALA 6 2HB ALA 6 -2.408 11.818 8.195 27 HB3 ALA 6 3HB ALA 6 -0.889 11.590 7.329 28 H THR 7 H THR 7 1.437 12.142 9.911 29 HA THR 7 HA THR 7 3.037 13.573 7.890 30 HB THR 7 HB THR 7 3.314 14.388 10.246 31 HG1 THR 7 1HG THR 7 5.017 14.368 8.525 32 HG21 THR 7 1HG2 THR 7 4.748 12.936 11.720 33 HG22 THR 7 2HG2 THR 7 4.403 11.601 10.621 34 HG23 THR 7 3HG2 THR 7 3.090 12.376 11.507 35 H MET 8 H MET 8 2.031 10.568 8.838 36 HA MET 8 HA MET 8 4.124 9.288 7.284 37 HB2 MET 8 1HB MET 8 4.546 7.567 9.004 38 HB3 MET 8 2HB MET 8 5.049 9.170 9.525 39 HG2 MET 8 1HG MET 8 2.984 9.379 10.830 40 HG3 MET 8 2HG MET 8 2.518 7.755 10.329 41 HE1 MET 8 1HE MET 8 2.842 8.967 13.357 42 HE2 MET 8 2HE MET 8 2.210 7.349 13.049 43 HE3 MET 8 3HE MET 8 3.538 7.575 14.189 44 H ALA 9 H ALA 9 3.441 7.461 6.240 45 HA ALA 9 HA ALA 9 0.687 7.080 5.863 46 HB1 ALA 9 1HB ALA 9 1.711 6.270 4.037 47 HB2 ALA 9 2HB ALA 9 3.159 5.802 4.930 48 HB3 ALA 9 3HB ALA 9 1.739 4.756 4.942 49 H THR 10 H THR 10 -0.260 4.745 6.027 50 HA THR 10 HA THR 10 0.371 3.608 8.666 51 HB THR 10 HB THR 10 -2.105 3.226 8.979 52 HG1 THR 10 1HG THR 10 -3.072 3.614 7.081 53 HG21 THR 10 1HG2 THR 10 -1.025 6.041 8.899 54 HG22 THR 10 2HG2 THR 10 -1.046 4.934 10.272 55 HG23 THR 10 3HG2 THR 10 -2.556 5.603 9.655 56 H PHE 11 H PHE 11 0.460 1.439 8.737 57 HA PHE 11 HA PHE 11 -0.554 -0.054 6.408 58 HB2 PHE 11 1HB PHE 11 1.380 -1.302 6.244 59 HB3 PHE 11 2HB PHE 11 2.041 0.243 6.770 60 HD1 PHE 11 2HD PHE 11 2.905 0.528 9.015 61 HD2 PHE 11 1HD PHE 11 1.338 -3.210 7.715 62 HE1 PHE 11 2HE PHE 11 3.949 -0.578 10.948 63 HE2 PHE 11 1HE PHE 11 2.379 -4.322 9.647 64 HZ PHE 11 HZ PHE 11 3.688 -3.007 11.266 65 H GLU 12 H GLU 12 -2.011 -1.552 6.888 66 HA GLU 12 HA GLU 12 -2.193 -2.483 9.674 67 HB2 GLU 12 1HB GLU 12 -4.169 -1.271 8.845 68 HB3 GLU 12 2HB GLU 12 -4.327 -2.431 7.533 69 HG2 GLU 12 1HG GLU 12 -4.625 -4.217 9.246 70 HG3 GLU 12 2HG GLU 12 -4.659 -2.953 10.475 71 H GLU 13 H GLU 13 -1.839 -4.560 10.121 72 HA GLU 13 HA GLU 13 -1.396 -6.398 7.886 73 HB2 GLU 13 1HB GLU 13 0.224 -5.943 9.927 74 HB3 GLU 13 2HB GLU 13 -0.800 -7.133 10.717 75 HG2 GLU 13 1HG GLU 13 -0.325 -8.495 8.511 76 HG3 GLU 13 2HG GLU 13 1.100 -7.459 8.462 77 H VAL 14 H VAL 14 -3.082 -7.585 7.299 78 HA VAL 14 HA VAL 14 -4.979 -8.478 9.366 79 HB VAL 14 HB VAL 14 -5.423 -8.326 6.382 80 HG11 VAL 14 1HG1 VAL 14 -7.727 -8.787 6.864 81 HG12 VAL 14 2HG1 VAL 14 -6.739 -10.043 7.614 82 HG13 VAL 14 3HG1 VAL 14 -7.419 -8.748 8.600 83 HG21 VAL 14 1HG2 VAL 14 -7.075 -6.482 7.252 84 HG22 VAL 14 2HG2 VAL 14 -5.934 -6.394 8.594 85 HG23 VAL 14 3HG2 VAL 14 -5.380 -6.099 6.946 86 H SER 15 H SER 15 -5.719 -10.631 9.359 87 HA SER 15 HA SER 15 -4.026 -12.512 7.848 88 HB2 SER 15 1HB SER 15 -3.303 -12.606 10.135 89 HB3 SER 15 2HB SER 15 -4.966 -12.692 10.717 90 HG SER 15 HG SER 15 -3.704 -14.656 9.099 91 H VAL 16 H VAL 16 -5.198 -13.595 6.423 92 HA VAL 16 HA VAL 16 -7.821 -14.627 7.224 93 HB VAL 16 HB VAL 16 -8.725 -14.077 4.957 94 HG11 VAL 16 1HG1 VAL 16 -9.722 -12.494 6.158 95 HG12 VAL 16 2HG1 VAL 16 -8.307 -12.320 7.198 96 HG13 VAL 16 3HG1 VAL 16 -8.419 -11.398 5.698 97 HG21 VAL 16 1HG2 VAL 16 -7.570 -12.157 3.786 98 HG22 VAL 16 2HG2 VAL 16 -6.164 -12.503 4.794 99 HG23 VAL 16 3HG2 VAL 16 -6.767 -13.724 3.673 100 H LEU 17 H LEU 17 -8.540 -16.447 5.979 101 HA LEU 17 HA LEU 17 -6.472 -17.726 4.333 102 HB2 LEU 17 1HB LEU 17 -6.113 -18.876 6.299 103 HB3 LEU 17 2HB LEU 17 -7.806 -18.786 6.781 104 HG LEU 17 HG LEU 17 -8.376 -20.514 5.164 105 HD11 LEU 17 1HD1 LEU 17 -6.811 -21.580 3.770 106 HD12 LEU 17 2HD1 LEU 17 -5.444 -20.820 4.585 107 HD13 LEU 17 3HD1 LEU 17 -6.515 -19.853 3.571 108 HD21 LEU 17 1HD2 LEU 17 -7.360 -20.953 7.531 109 HD22 LEU 17 2HD2 LEU 17 -6.007 -21.609 6.609 110 HD23 LEU 17 3HD2 LEU 17 -7.622 -22.292 6.412 111 H GLY 18 H GLY 18 -7.453 -17.683 2.391 112 HA2 GLY 18 1HA GLY 18 -8.930 -19.146 1.044 113 HA3 GLY 18 2HA GLY 18 -10.177 -18.822 2.240 114 H PHE 19 H PHE 19 -10.675 -18.397 -0.421 115 HA PHE 19 HA PHE 19 -10.179 -15.702 -1.208 116 HB2 PHE 19 1HB PHE 19 -10.640 -17.567 -2.803 117 HB3 PHE 19 2HB PHE 19 -12.307 -17.588 -2.237 118 HD1 PHE 19 2HD PHE 19 -13.533 -15.259 -2.353 119 HD2 PHE 19 1HD PHE 19 -10.127 -16.333 -4.668 120 HE1 PHE 19 2HE PHE 19 -14.115 -13.531 -4.004 121 HE2 PHE 19 1HE PHE 19 -10.703 -14.605 -6.322 122 HZ PHE 19 HZ PHE 19 -12.700 -13.202 -5.992 123 H GLU 20 H GLU 20 -12.840 -17.373 0.383 124 HA GLU 20 HA GLU 20 -14.768 -15.360 0.261 125 HB2 GLU 20 1HB GLU 20 -14.253 -17.566 2.239 126 HB3 GLU 20 2HB GLU 20 -15.586 -16.442 2.454 127 HG2 GLU 20 1HG GLU 20 -16.582 -18.217 1.373 128 HG3 GLU 20 2HG GLU 20 -16.240 -17.102 0.052 129 H GLU 21 H GLU 21 -12.816 -16.149 3.142 130 HA GLU 21 HA GLU 21 -13.384 -13.861 4.587 131 HB2 GLU 21 1HB GLU 21 -10.982 -15.673 4.573 132 HB3 GLU 21 2HB GLU 21 -11.093 -14.305 5.671 133 HG2 GLU 21 1HG GLU 21 -11.787 -16.407 6.716 134 HG3 GLU 21 2HG GLU 21 -13.086 -15.216 6.675 135 H PHE 22 H PHE 22 -10.755 -14.423 2.278 136 HA PHE 22 HA PHE 22 -9.338 -12.072 2.587 137 HB2 PHE 22 1HB PHE 22 -8.343 -13.636 1.170 138 HB3 PHE 22 2HB PHE 22 -9.815 -13.869 0.233 139 HD1 PHE 22 2HD PHE 22 -7.973 -10.766 1.150 140 HD2 PHE 22 1HD PHE 22 -9.311 -13.352 -1.955 141 HE1 PHE 22 2HE PHE 22 -7.151 -9.168 -0.530 142 HE2 PHE 22 1HE PHE 22 -8.490 -11.758 -3.640 143 HZ PHE 22 HZ PHE 22 -7.410 -9.662 -2.929 144 H ASP 23 H ASP 23 -11.990 -12.678 0.284 145 HA ASP 23 HA ASP 23 -12.170 -10.174 -0.851 146 HB2 ASP 23 1HB ASP 23 -13.475 -12.017 -1.702 147 HB3 ASP 23 2HB ASP 23 -14.383 -12.127 -0.197 148 H LYS 24 H LYS 24 -13.935 -11.343 2.015 149 HA LYS 24 HA LYS 24 -15.363 -9.085 2.647 150 HB2 LYS 24 1HB LYS 24 -15.256 -11.406 3.811 151 HB3 LYS 24 2HB LYS 24 -14.006 -10.670 4.806 152 HG2 LYS 24 1HG LYS 24 -15.803 -10.224 6.109 153 HG3 LYS 24 2HG LYS 24 -15.857 -8.791 5.079 154 HD2 LYS 24 1HD LYS 24 -17.351 -11.299 4.372 155 HD3 LYS 24 2HD LYS 24 -18.041 -10.083 5.450 156 HE2 LYS 24 1HE LYS 24 -18.852 -9.311 3.468 157 HE3 LYS 24 2HE LYS 24 -17.306 -8.465 3.484 158 HZ1 LYS 24 1HZ LYS 24 -18.227 -10.598 1.759 159 HZ2 LYS 24 2HZ LYS 24 -16.638 -10.774 2.312 160 HZ3 LYS 24 3HZ LYS 24 -17.088 -9.381 1.465 161 H ALA 25 H ALA 25 -12.083 -9.881 3.791 162 HA ALA 25 HA ALA 25 -11.615 -7.554 5.245 163 HB1 ALA 25 1HB ALA 25 -9.484 -9.018 3.710 164 HB2 ALA 25 2HB ALA 25 -9.329 -8.137 5.230 165 HB3 ALA 25 3HB ALA 25 -10.213 -9.662 5.182 166 H VAL 26 H VAL 26 -11.134 -8.224 1.808 167 HA VAL 26 HA VAL 26 -9.827 -5.799 1.175 168 HB VAL 26 HB VAL 26 -11.491 -7.574 -0.618 169 HG11 VAL 26 1HG1 VAL 26 -10.749 -5.067 -1.214 170 HG12 VAL 26 2HG1 VAL 26 -9.286 -5.929 -1.697 171 HG13 VAL 26 3HG1 VAL 26 -10.841 -6.358 -2.412 172 HG21 VAL 26 1HG2 VAL 26 -8.501 -7.535 -0.512 173 HG22 VAL 26 2HG2 VAL 26 -9.421 -8.509 0.635 174 HG23 VAL 26 3HG2 VAL 26 -9.583 -8.800 -1.097 175 H LYS 27 H LYS 27 -13.168 -6.775 0.381 176 HA LYS 27 HA LYS 27 -14.110 -4.333 -0.469 177 HB2 LYS 27 1HB LYS 27 -15.504 -6.595 0.952 178 HB3 LYS 27 2HB LYS 27 -16.374 -5.179 0.378 179 HG2 LYS 27 1HG LYS 27 -14.631 -6.692 -1.509 180 HG3 LYS 27 2HG LYS 27 -16.225 -7.323 -1.091 181 HD2 LYS 27 1HD LYS 27 -17.328 -5.499 -2.029 182 HD3 LYS 27 2HD LYS 27 -15.889 -4.478 -1.971 183 HE2 LYS 27 1HE LYS 27 -16.005 -4.991 -4.215 184 HE3 LYS 27 2HE LYS 27 -14.913 -6.241 -3.623 185 HZ1 LYS 27 1HZ LYS 27 -16.437 -7.370 -4.948 186 HZ2 LYS 27 2HZ LYS 27 -17.761 -6.492 -4.367 187 HZ3 LYS 27 3HZ LYS 27 -17.008 -7.641 -3.379 188 H GLU 28 H GLU 28 -13.217 -5.258 2.699 189 HA GLU 28 HA GLU 28 -14.812 -3.251 4.036 190 HB2 GLU 28 1HB GLU 28 -12.850 -5.332 4.883 191 HB3 GLU 28 2HB GLU 28 -13.141 -3.974 5.961 192 HG2 GLU 28 1HG GLU 28 -15.528 -4.498 5.975 193 HG3 GLU 28 2HG GLU 28 -15.230 -5.866 4.904 194 H HIS 29 H HIS 29 -11.463 -3.688 3.029 195 HA HIS 29 HA HIS 29 -10.798 -1.015 4.029 196 HB2 HIS 29 1HB HIS 29 -8.926 -3.075 2.851 197 HB3 HIS 29 2HB HIS 29 -8.485 -1.624 3.746 198 HD1 HIS 29 1HD HIS 29 -9.766 -1.704 6.310 199 HD2 HIS 29 2HD HIS 29 -8.688 -5.244 4.423 200 HE1 HIS 29 1HE HIS 29 -9.639 -3.427 8.137 201 HE2 HIS 29 2HE HIS 29 -8.902 -5.541 6.984 202 H GLU 30 H GLU 30 -12.291 -1.979 1.454 203 HA GLU 30 HA GLU 30 -10.847 -1.338 -0.812 204 HB2 GLU 30 1HB GLU 30 -12.962 -0.922 -1.905 205 HB3 GLU 30 2HB GLU 30 -13.138 -2.284 -0.806 206 HG2 GLU 30 1HG GLU 30 -14.195 -0.827 0.839 207 HG3 GLU 30 2HG GLU 30 -14.014 0.543 -0.255 208 H SER 31 H SER 31 -12.351 0.787 1.536 209 HA SER 31 HA SER 31 -12.351 3.189 0.160 210 HB2 SER 31 1HB SER 31 -12.159 2.427 3.034 211 HB3 SER 31 2HB SER 31 -11.780 4.096 2.607 212 HG SER 31 HG SER 31 -13.812 4.389 1.882 213 H LYS 32 H LYS 32 -9.689 1.370 1.416 214 HA LYS 32 HA LYS 32 -7.852 3.448 0.439 215 HB2 LYS 32 1HB LYS 32 -7.183 1.755 2.832 216 HB3 LYS 32 2HB LYS 32 -6.422 3.247 2.295 217 HG2 LYS 32 1HG LYS 32 -8.038 4.570 3.220 218 HG3 LYS 32 2HG LYS 32 -9.284 3.327 3.094 219 HD2 LYS 32 1HD LYS 32 -8.919 3.269 5.348 220 HD3 LYS 32 2HD LYS 32 -7.712 2.090 4.829 221 HE2 LYS 32 1HE LYS 32 -6.920 4.953 4.955 222 HE3 LYS 32 2HE LYS 32 -7.113 4.079 6.473 223 HZ1 LYS 32 1HZ LYS 32 -5.619 2.338 5.373 224 HZ2 LYS 32 2HZ LYS 32 -4.898 3.763 5.930 225 HZ3 LYS 32 3HZ LYS 32 -5.209 3.563 4.280 226 H THR 33 H THR 33 -5.629 2.560 0.036 227 HA THR 33 HA THR 33 -5.680 0.502 -1.809 228 HB THR 33 HB THR 33 -3.317 1.404 -0.149 229 HG1 THR 33 1HG THR 33 -2.965 2.526 -2.306 230 HG21 THR 33 1HG2 THR 33 -2.754 -0.684 -1.154 231 HG22 THR 33 2HG2 THR 33 -2.016 0.576 -2.143 232 HG23 THR 33 3HG2 THR 33 -3.494 -0.218 -2.685 233 H ILE 34 H ILE 34 -5.235 -1.673 -1.778 234 HA ILE 34 HA ILE 34 -4.887 -2.922 0.866 235 HB ILE 34 HB ILE 34 -6.750 -3.814 -1.334 236 HG12 ILE 34 1HG1 ILE 34 -7.419 -3.290 1.555 237 HG13 ILE 34 2HG1 ILE 34 -7.420 -1.994 0.364 238 HG21 ILE 34 1HG2 ILE 34 -7.186 -5.496 0.780 239 HG22 ILE 34 2HG2 ILE 34 -6.255 -5.890 -0.664 240 HG23 ILE 34 3HG2 ILE 34 -5.431 -5.323 0.789 241 HD11 ILE 34 1HD1 ILE 34 -9.254 -2.828 -0.736 242 HD12 ILE 34 2HD1 ILE 34 -8.985 -4.474 -0.161 243 HD13 ILE 34 3HD1 ILE 34 -9.617 -3.249 0.938 244 H PHE 35 H PHE 35 -3.459 -4.578 0.984 245 HA PHE 35 HA PHE 35 -2.205 -5.452 -1.535 246 HB2 PHE 35 1HB PHE 35 -0.961 -4.713 1.100 247 HB3 PHE 35 2HB PHE 35 -0.134 -5.796 -0.015 248 HD1 PHE 35 2HD PHE 35 0.635 -4.987 -2.192 249 HD2 PHE 35 1HD PHE 35 -1.162 -2.376 0.649 250 HE1 PHE 35 2HE PHE 35 1.511 -3.047 -3.426 251 HE2 PHE 35 1HE PHE 35 -0.289 -0.432 -0.581 252 HZ PHE 35 HZ PHE 35 1.051 -0.766 -2.620 253 H ALA 36 H ALA 36 -2.822 -7.477 -1.907 254 HA ALA 36 HA ALA 36 -3.277 -9.295 0.338 255 HB1 ALA 36 1HB ALA 36 -3.986 -10.777 -1.759 256 HB2 ALA 36 2HB ALA 36 -5.070 -9.597 -1.021 257 HB3 ALA 36 3HB ALA 36 -4.175 -9.180 -2.482 258 H TYR 37 H TYR 37 -1.941 -10.917 0.844 259 HA TYR 37 HA TYR 37 0.291 -11.482 -0.995 260 HB2 TYR 37 1HB TYR 37 0.984 -10.386 1.112 261 HB3 TYR 37 2HB TYR 37 0.267 -11.711 2.022 262 HD1 TYR 37 1HD TYR 37 2.559 -11.455 -0.928 263 HD2 TYR 37 2HD TYR 37 1.840 -13.130 2.916 264 HE1 TYR 37 1HE TYR 37 4.677 -12.696 -1.080 265 HE2 TYR 37 2HE TYR 37 3.956 -14.375 2.776 266 HH TYR 37 HH TYR 37 5.443 -15.246 0.686 267 H PHE 38 H PHE 38 -0.944 -13.117 -2.044 268 HA PHE 38 HA PHE 38 -2.006 -15.339 -0.589 269 HB2 PHE 38 1HB PHE 38 -1.349 -15.341 -3.529 270 HB3 PHE 38 2HB PHE 38 -2.610 -16.239 -2.691 271 HD1 PHE 38 1HD PHE 38 -4.565 -14.968 -1.736 272 HD2 PHE 38 2HD PHE 38 -1.767 -13.223 -4.428 273 HE1 PHE 38 1HE PHE 38 -6.181 -13.186 -2.256 274 HE2 PHE 38 2HE PHE 38 -3.378 -11.439 -4.951 275 HZ PHE 38 HZ PHE 38 -5.587 -11.418 -3.864 276 H SER 39 H SER 39 -0.788 -16.811 0.377 277 HA SER 39 HA SER 39 1.485 -17.949 -1.065 278 HB2 SER 39 1HB SER 39 2.861 -17.869 1.043 279 HB3 SER 39 2HB SER 39 2.566 -16.294 0.306 280 HG SER 39 HG SER 39 1.947 -15.844 2.281 281 H GLY 40 H GLY 40 2.331 -19.932 0.112 282 HA2 GLY 40 1HA GLY 40 0.250 -21.771 0.466 283 HA3 GLY 40 2HA GLY 40 1.926 -22.041 0.919 284 H SER 41 H SER 41 -0.588 -22.822 2.261 285 HA SER 41 HA SER 41 -1.101 -21.256 4.519 286 HB2 SER 41 1HB SER 41 -2.198 -23.188 5.439 287 HB3 SER 41 2HB SER 41 -2.489 -23.190 3.700 288 HG SER 41 HG SER 41 -0.528 -24.613 3.666 289 H LYS 42 H LYS 42 -0.507 -21.621 6.743 290 HA LYS 42 HA LYS 42 2.322 -22.258 6.998 291 HB2 LYS 42 1HB LYS 42 0.362 -21.039 8.951 292 HB3 LYS 42 2HB LYS 42 2.073 -21.287 9.277 293 HG2 LYS 42 1HG LYS 42 2.607 -19.803 7.369 294 HG3 LYS 42 2HG LYS 42 0.880 -19.490 7.176 295 HD2 LYS 42 1HD LYS 42 2.108 -19.076 9.857 296 HD3 LYS 42 2HD LYS 42 2.422 -17.882 8.594 297 HE2 LYS 42 1HE LYS 42 0.522 -16.995 9.495 298 HE3 LYS 42 2HE LYS 42 -0.196 -18.052 8.281 299 HZ1 LYS 42 1HZ LYS 42 -0.759 -18.058 10.945 300 HZ2 LYS 42 2HZ LYS 42 0.266 -19.391 10.767 301 HZ3 LYS 42 3HZ LYS 42 -1.150 -19.285 9.848 302 H ASP 43 H ASP 43 3.111 -24.025 7.963 303 HA ASP 43 HA ASP 43 1.517 -26.254 8.500 304 HB2 ASP 43 1HB ASP 43 4.098 -26.024 8.071 305 HB3 ASP 43 2HB ASP 43 4.183 -25.933 9.828 306 H THR 44 H THR 44 2.085 -27.404 10.823 307 HA THR 44 HA THR 44 0.340 -26.174 12.649 308 HB THR 44 HB THR 44 0.977 -27.904 14.229 309 HG1 THR 44 1HG THR 44 3.171 -28.055 14.040 310 HG21 THR 44 1HG2 THR 44 0.192 -29.727 13.040 311 HG22 THR 44 2HG2 THR 44 1.102 -29.306 11.590 312 HG23 THR 44 3HG2 THR 44 -0.339 -28.387 12.025 313 H GLU 45 H GLU 45 3.877 -26.322 12.523 314 HA GLU 45 HA GLU 45 4.308 -24.990 14.989 315 HB2 GLU 45 1HB GLU 45 5.926 -26.398 13.445 316 HB3 GLU 45 2HB GLU 45 6.297 -24.819 12.767 317 HG2 GLU 45 1HG GLU 45 7.136 -24.018 14.806 318 HG3 GLU 45 2HG GLU 45 6.432 -25.355 15.713 319 H GLY 46 H GLY 46 3.560 -23.901 11.792 320 HA2 GLY 46 1HA GLY 46 2.624 -21.687 11.528 321 HA3 GLY 46 2HA GLY 46 3.749 -21.121 12.754 322 H LYS 47 H LYS 47 4.526 -23.226 10.035 323 HA LYS 47 HA LYS 47 5.960 -21.013 8.747 324 HB2 LYS 47 1HB LYS 47 7.110 -23.689 9.529 325 HB3 LYS 47 2HB LYS 47 7.844 -22.670 8.298 326 HG2 LYS 47 1HG LYS 47 7.810 -20.847 10.137 327 HG3 LYS 47 2HG LYS 47 7.614 -22.211 11.240 328 HD2 LYS 47 1HD LYS 47 9.781 -22.247 9.177 329 HD3 LYS 47 2HD LYS 47 10.001 -21.342 10.676 330 HE2 LYS 47 1HE LYS 47 9.049 -24.166 10.803 331 HE3 LYS 47 2HE LYS 47 10.755 -23.849 10.494 332 HZ1 LYS 47 1HZ LYS 47 9.314 -22.636 12.777 333 HZ2 LYS 47 2HZ LYS 47 10.984 -22.755 12.540 334 HZ3 LYS 47 3HZ LYS 47 10.079 -24.141 12.891 335 H SER 48 H SER 48 5.731 -20.961 6.594 336 HA SER 48 HA SER 48 3.893 -22.631 5.287 337 HB2 SER 48 1HB SER 48 4.352 -21.387 3.336 338 HB3 SER 48 2HB SER 48 4.658 -20.255 4.653 339 HG SER 48 HG SER 48 6.632 -20.115 3.979 340 H TRP 49 H TRP 49 4.277 -24.039 3.445 341 HA TRP 49 HA TRP 49 6.299 -25.974 4.016 342 HB2 TRP 49 1HB TRP 49 5.394 -26.883 1.707 343 HB3 TRP 49 2HB TRP 49 4.420 -27.000 3.170 344 HD1 TRP 49 HD TRP 49 2.317 -25.320 3.380 345 HE1 TRP 49 1HE TRP 49 0.951 -24.083 1.584 346 HE3 TRP 49 3HE TRP 49 5.565 -25.745 -0.545 347 HZ2 TRP 49 2HZ TRP 49 1.215 -23.381 -1.138 348 HZ3 TRP 49 3HZ TRP 49 4.933 -24.764 -2.710 349 HH2 TRP 49 HH TRP 49 2.802 -23.607 -2.999 350 H CYS 50 H CYS 50 5.828 -23.522 1.519 351 HA CYS 50 HA CYS 50 8.129 -24.289 0.004 352 HB2 CYS 50 1HB CYS 50 6.359 -23.157 -1.149 353 HB3 CYS 50 2HB CYS 50 6.404 -21.810 -0.018 354 HG CYS 50 HG CYS 50 7.790 -21.921 -2.871 355 HA PRO 51 HA PRO 51 11.236 -22.340 2.452 356 HB2 PRO 51 1HB PRO 51 13.196 -22.234 0.577 357 HB3 PRO 51 2HB PRO 51 12.722 -23.732 1.388 358 HG2 PRO 51 1HG PRO 51 11.940 -22.713 -1.317 359 HG3 PRO 51 2HG PRO 51 12.404 -24.354 -0.830 360 HD2 PRO 51 1HD PRO 51 9.823 -23.613 -1.178 361 HD3 PRO 51 2HD PRO 51 10.314 -24.829 0.018 362 H ASP 52 H ASP 52 10.726 -21.103 -0.846 363 HA ASP 52 HA ASP 52 11.956 -18.626 -0.550 364 HB2 ASP 52 1HB ASP 52 9.661 -19.538 -2.279 365 HB3 ASP 52 2HB ASP 52 10.294 -17.896 -2.362 366 H CYS 53 H CYS 53 8.475 -19.353 -0.243 367 HA CYS 53 HA CYS 53 7.523 -16.916 0.515 368 HB2 CYS 53 1HB CYS 53 5.868 -18.518 0.293 369 HB3 CYS 53 2HB CYS 53 6.742 -19.706 1.253 370 HG CYS 53 HG CYS 53 5.145 -16.956 2.523 371 H VAL 54 H VAL 54 8.933 -19.360 2.677 372 HA VAL 54 HA VAL 54 8.650 -17.900 5.061 373 HB VAL 54 HB VAL 54 10.713 -19.990 4.350 374 HG11 VAL 54 1HG1 VAL 54 11.359 -18.583 6.280 375 HG12 VAL 54 2HG1 VAL 54 9.850 -19.032 7.077 376 HG13 VAL 54 3HG1 VAL 54 11.062 -20.264 6.722 377 HG21 VAL 54 1HG2 VAL 54 8.521 -20.906 4.134 378 HG22 VAL 54 2HG2 VAL 54 9.184 -21.478 5.665 379 HG23 VAL 54 3HG2 VAL 54 8.001 -20.171 5.651 380 H GLU 55 H GLU 55 10.948 -17.684 2.475 381 HA GLU 55 HA GLU 55 12.718 -15.975 4.061 382 HB2 GLU 55 1HB GLU 55 13.557 -17.852 2.521 383 HB3 GLU 55 2HB GLU 55 13.141 -16.780 1.191 384 HG2 GLU 55 1HG GLU 55 14.767 -15.224 1.768 385 HG3 GLU 55 2HG GLU 55 14.922 -15.853 3.408 386 H ALA 56 H ALA 56 10.063 -15.704 2.055 387 HA ALA 56 HA ALA 56 10.841 -13.078 1.013 388 HB1 ALA 56 1HB ALA 56 9.521 -15.106 -0.207 389 HB2 ALA 56 2HB ALA 56 8.174 -14.113 0.349 390 HB3 ALA 56 3HB ALA 56 9.415 -13.414 -0.691 391 H GLU 57 H GLU 57 8.624 -14.634 3.233 392 HA GLU 57 HA GLU 57 6.770 -12.659 3.702 393 HB2 GLU 57 1HB GLU 57 7.272 -15.056 4.822 394 HB3 GLU 57 2HB GLU 57 7.848 -14.008 6.111 395 HG2 GLU 57 1HG GLU 57 5.761 -13.139 6.526 396 HG3 GLU 57 2HG GLU 57 5.168 -13.509 4.907 397 HA PRO 58 HA PRO 58 9.802 -10.664 6.919 398 HB2 PRO 58 1HB PRO 58 12.418 -11.357 6.700 399 HB3 PRO 58 2HB PRO 58 11.276 -12.229 7.730 400 HG2 PRO 58 1HG PRO 58 12.259 -12.917 4.988 401 HG3 PRO 58 2HG PRO 58 12.029 -13.975 6.392 402 HD2 PRO 58 1HD PRO 58 10.242 -13.838 4.363 403 HD3 PRO 58 2HD PRO 58 9.758 -14.157 6.041 404 H VAL 59 H VAL 59 10.395 -11.177 3.590 405 HA VAL 59 HA VAL 59 12.060 -8.800 3.304 406 HB VAL 59 HB VAL 59 10.999 -10.504 1.059 407 HG11 VAL 59 1HG1 VAL 59 13.252 -8.546 1.375 408 HG12 VAL 59 2HG1 VAL 59 13.221 -9.724 0.061 409 HG13 VAL 59 3HG1 VAL 59 11.930 -8.532 0.208 410 HG21 VAL 59 1HG2 VAL 59 13.690 -10.944 2.291 411 HG22 VAL 59 2HG2 VAL 59 12.267 -11.757 2.943 412 HG23 VAL 59 3HG2 VAL 59 12.742 -12.020 1.265 413 H ILE 60 H ILE 60 8.768 -9.768 3.028 414 HA ILE 60 HA ILE 60 8.037 -7.458 1.411 415 HB ILE 60 HB ILE 60 6.308 -9.631 2.598 416 HG12 ILE 60 1HG1 ILE 60 7.417 -9.191 -0.179 417 HG13 ILE 60 2HG1 ILE 60 7.736 -10.549 0.896 418 HG21 ILE 60 1HG2 ILE 60 5.275 -7.324 2.155 419 HG22 ILE 60 2HG2 ILE 60 5.488 -7.710 0.448 420 HG23 ILE 60 3HG2 ILE 60 4.475 -8.736 1.464 421 HD11 ILE 60 1HD1 ILE 60 5.082 -10.769 0.695 422 HD12 ILE 60 2HD1 ILE 60 5.434 -10.020 -0.863 423 HD13 ILE 60 3HD1 ILE 60 6.207 -11.542 -0.421 424 H ARG 61 H ARG 61 7.723 -8.654 4.706 425 HA ARG 61 HA ARG 61 5.954 -6.657 5.638 426 HB2 ARG 61 1HB ARG 61 7.865 -8.546 6.977 427 HB3 ARG 61 2HB ARG 61 7.030 -7.313 7.912 428 HG2 ARG 61 1HG ARG 61 4.903 -8.298 6.753 429 HG3 ARG 61 2HG ARG 61 5.935 -9.713 6.532 430 HD2 ARG 61 1HD ARG 61 6.450 -9.343 9.077 431 HD3 ARG 61 2HD ARG 61 4.917 -8.473 9.047 432 HE ARG 61 HE ARG 61 3.824 -10.474 8.849 433 HH11 ARG 61 2HH1 ARG 61 7.198 -10.939 8.127 434 HH12 ARG 61 1HH1 ARG 61 7.080 -12.666 8.060 435 HH21 ARG 61 2HH2 ARG 61 3.656 -12.747 8.763 436 HH22 ARG 61 1HH2 ARG 61 5.064 -13.693 8.421 437 H GLU 62 H GLU 62 9.431 -6.794 5.267 438 HA GLU 62 HA GLU 62 10.104 -4.583 6.876 439 HB2 GLU 62 1HB GLU 62 11.438 -6.016 4.612 440 HB3 GLU 62 2HB GLU 62 12.114 -4.500 5.191 441 HG2 GLU 62 1HG GLU 62 12.020 -5.589 7.516 442 HG3 GLU 62 2HG GLU 62 11.830 -7.103 6.634 443 H GLY 63 H GLY 63 9.737 -4.780 3.329 444 HA2 GLY 63 1HA GLY 63 10.007 -2.033 2.836 445 HA3 GLY 63 2HA GLY 63 9.202 -3.179 1.775 446 H LEU 64 H LEU 64 7.180 -3.947 3.686 447 HA LEU 64 HA LEU 64 5.181 -2.111 3.061 448 HB2 LEU 64 1HB LEU 64 5.440 -4.372 4.969 449 HB3 LEU 64 2HB LEU 64 4.078 -3.273 5.176 450 HG LEU 64 HG LEU 64 4.630 -4.617 2.547 451 HD11 LEU 64 1HD1 LEU 64 4.250 -6.106 4.744 452 HD12 LEU 64 2HD1 LEU 64 3.625 -6.544 3.154 453 HD13 LEU 64 3HD1 LEU 64 2.572 -5.755 4.329 454 HD21 LEU 64 1HD2 LEU 64 1.969 -3.823 3.653 455 HD22 LEU 64 2HD2 LEU 64 2.484 -3.985 1.974 456 HD23 LEU 64 3HD2 LEU 64 3.027 -2.608 2.934 457 H LYS 65 H LYS 65 7.493 -2.117 5.628 458 HA LYS 65 HA LYS 65 6.069 -0.265 7.306 459 HB2 LYS 65 1HB LYS 65 8.800 -1.494 7.330 460 HB3 LYS 65 2HB LYS 65 8.474 -0.095 8.344 461 HG2 LYS 65 1HG LYS 65 6.570 -2.365 8.470 462 HG3 LYS 65 2HG LYS 65 8.157 -2.568 9.216 463 HD2 LYS 65 1HD LYS 65 6.603 -0.088 9.784 464 HD3 LYS 65 2HD LYS 65 6.133 -1.591 10.582 465 HE2 LYS 65 1HE LYS 65 8.283 -1.822 11.581 466 HE3 LYS 65 2HE LYS 65 8.945 -0.513 10.602 467 HZ1 LYS 65 1HZ LYS 65 8.097 -0.188 13.095 468 HZ2 LYS 65 2HZ LYS 65 6.664 0.167 12.269 469 HZ3 LYS 65 3HZ LYS 65 8.069 1.051 11.942 470 H HIS 66 H HIS 66 8.250 -0.066 4.633 471 HA HIS 66 HA HIS 66 8.749 2.778 5.119 472 HB2 HIS 66 1HB HIS 66 9.907 0.891 3.057 473 HB3 HIS 66 2HB HIS 66 10.343 2.589 3.224 474 HD1 HIS 66 1HD HIS 66 11.979 3.208 5.071 475 HD2 HIS 66 2HD HIS 66 10.862 -0.793 5.137 476 HE1 HIS 66 1HE HIS 66 13.540 2.100 6.702 477 HE2 HIS 66 2HE HIS 66 12.901 -0.336 6.661 478 H VAL 67 H VAL 67 6.186 1.414 4.132 479 HA VAL 67 HA VAL 67 5.801 2.273 1.444 480 HB VAL 67 HB VAL 67 4.472 0.488 2.716 481 HG11 VAL 67 1HG1 VAL 67 2.786 1.062 4.154 482 HG12 VAL 67 2HG1 VAL 67 3.956 2.329 4.529 483 HG13 VAL 67 3HG1 VAL 67 2.594 2.672 3.462 484 HG21 VAL 67 1HG2 VAL 67 3.259 0.567 0.859 485 HG22 VAL 67 2HG2 VAL 67 2.326 1.913 1.514 486 HG23 VAL 67 3HG2 VAL 67 3.790 2.226 0.581 487 H THR 68 H THR 68 4.923 4.118 0.638 488 HA THR 68 HA THR 68 4.493 6.307 2.558 489 HB THR 68 HB THR 68 6.328 6.481 0.762 490 HG1 THR 68 1HG THR 68 4.360 8.541 0.827 491 HG21 THR 68 1HG2 THR 68 4.149 5.936 -0.917 492 HG22 THR 68 2HG2 THR 68 5.779 6.406 -1.398 493 HG23 THR 68 3HG2 THR 68 4.536 7.636 -1.173 494 H GLU 69 H GLU 69 2.469 4.344 1.839 495 HA GLU 69 HA GLU 69 0.387 6.204 1.063 496 HB2 GLU 69 1HB GLU 69 -0.520 4.685 -0.680 497 HB3 GLU 69 2HB GLU 69 1.033 5.385 -1.111 498 HG2 GLU 69 1HG GLU 69 2.116 3.274 -0.354 499 HG3 GLU 69 2HG GLU 69 0.506 2.589 -0.141 500 H ASP 70 H ASP 70 -0.996 5.963 2.685 501 HA ASP 70 HA ASP 70 -1.198 3.897 4.473 502 HB2 ASP 70 1HB ASP 70 -3.640 4.694 4.741 503 HB3 ASP 70 2HB ASP 70 -2.350 5.854 5.047 504 H CYS 71 H CYS 71 -1.291 1.818 3.847 505 HA CYS 71 HA CYS 71 -3.581 1.020 2.177 506 HB2 CYS 71 1HB CYS 71 -2.208 -0.750 1.188 507 HB3 CYS 71 2HB CYS 71 -1.504 0.832 0.880 508 HG CYS 71 HG CYS 71 0.525 0.597 2.737 509 H VAL 72 H VAL 72 -3.956 -1.445 2.413 510 HA VAL 72 HA VAL 72 -3.641 -2.194 5.246 511 HB VAL 72 HB VAL 72 -6.068 -2.681 3.513 512 HG11 VAL 72 1HG1 VAL 72 -6.910 -3.303 5.956 513 HG12 VAL 72 2HG1 VAL 72 -6.166 -4.493 4.886 514 HG13 VAL 72 3HG1 VAL 72 -5.209 -3.723 6.153 515 HG21 VAL 72 1HG2 VAL 72 -5.323 -0.538 5.347 516 HG22 VAL 72 2HG2 VAL 72 -6.599 -0.596 4.130 517 HG23 VAL 72 3HG2 VAL 72 -6.876 -1.281 5.731 518 H PHE 73 H PHE 73 -2.091 -3.723 5.128 519 HA PHE 73 HA PHE 73 -1.823 -5.569 2.992 520 HB2 PHE 73 1HB PHE 73 0.013 -4.836 4.559 521 HB3 PHE 73 2HB PHE 73 -0.713 -5.869 5.786 522 HD1 PHE 73 2HD PHE 73 0.084 -6.262 2.158 523 HD2 PHE 73 1HD PHE 73 0.485 -7.790 6.111 524 HE1 PHE 73 2HE PHE 73 1.352 -8.181 1.285 525 HE2 PHE 73 1HE PHE 73 1.755 -9.710 5.244 526 HZ PHE 73 HZ PHE 73 2.189 -9.909 2.828 527 H ILE 74 H ILE 74 -2.293 -7.769 2.901 528 HA ILE 74 HA ILE 74 -3.963 -8.893 5.026 529 HB ILE 74 HB ILE 74 -4.783 -9.015 2.124 530 HG12 ILE 74 1HG1 ILE 74 -5.881 -7.328 4.382 531 HG13 ILE 74 2HG1 ILE 74 -5.059 -6.738 2.942 532 HG21 ILE 74 1HG2 ILE 74 -6.672 -10.187 2.817 533 HG22 ILE 74 2HG2 ILE 74 -5.376 -10.883 3.789 534 HG23 ILE 74 3HG2 ILE 74 -6.473 -9.700 4.501 535 HD11 ILE 74 1HD1 ILE 74 -6.868 -7.372 1.551 536 HD12 ILE 74 2HD1 ILE 74 -7.642 -8.267 2.859 537 HD13 ILE 74 3HD1 ILE 74 -7.545 -6.507 2.930 538 H TYR 75 H TYR 75 -3.027 -10.733 5.594 539 HA TYR 75 HA TYR 75 -1.352 -12.181 3.716 540 HB2 TYR 75 1HB TYR 75 -0.742 -11.741 6.150 541 HB3 TYR 75 2HB TYR 75 -1.950 -12.950 6.572 542 HD1 TYR 75 1HD TYR 75 -1.675 -15.289 5.506 543 HD2 TYR 75 2HD TYR 75 1.441 -12.396 5.669 544 HE1 TYR 75 1HE TYR 75 -0.011 -17.071 5.183 545 HE2 TYR 75 2HE TYR 75 3.113 -14.170 5.345 546 HH TYR 75 HH TYR 75 3.427 -16.331 4.822 547 H CYS 76 H CYS 76 -2.854 -13.035 2.262 548 HA CYS 76 HA CYS 76 -4.923 -14.813 3.289 549 HB2 CYS 76 1HB CYS 76 -5.621 -13.357 1.509 550 HB3 CYS 76 2HB CYS 76 -4.264 -13.850 0.503 551 HG CYS 76 HG CYS 76 -5.199 -16.417 0.040 552 H GLN 77 H GLN 77 -4.774 -16.967 3.321 553 HA GLN 77 HA GLN 77 -2.332 -18.183 2.262 554 HB2 GLN 77 1HB GLN 77 -4.357 -19.090 4.300 555 HB3 GLN 77 2HB GLN 77 -3.129 -20.169 3.654 556 HG2 GLN 77 1HG GLN 77 -1.428 -19.124 4.750 557 HG3 GLN 77 2HG GLN 77 -2.250 -17.564 4.768 558 HE21 GLN 77 1HE2 GLN 77 -4.366 -17.648 6.087 559 HE22 GLN 77 2HE2 GLN 77 -4.236 -18.392 7.641 560 H VAL 78 H VAL 78 -2.464 -19.021 0.293 561 HA VAL 78 HA VAL 78 -4.777 -19.515 -1.154 562 HB VAL 78 HB VAL 78 -3.419 -20.766 -2.719 563 HG11 VAL 78 1HG1 VAL 78 -1.755 -19.112 -3.225 564 HG12 VAL 78 2HG1 VAL 78 -3.181 -18.293 -2.582 565 HG13 VAL 78 3HG1 VAL 78 -1.762 -18.531 -1.560 566 HG21 VAL 78 1HG2 VAL 78 -2.181 -22.227 -1.329 567 HG22 VAL 78 2HG2 VAL 78 -0.997 -21.197 -2.134 568 HG23 VAL 78 3HG2 VAL 78 -1.440 -20.885 -0.456 569 H GLY 79 H GLY 79 -2.740 -21.861 0.595 570 HA2 GLY 79 1HA GLY 79 -4.544 -23.402 1.818 571 HA3 GLY 79 2HA GLY 79 -4.712 -23.955 0.159 572 H ASP 80 H ASP 80 -4.071 -25.958 1.527 573 HA ASP 80 HA ASP 80 -1.517 -26.387 2.491 574 HB2 ASP 80 1HB ASP 80 -2.943 -28.522 0.931 575 HB3 ASP 80 2HB ASP 80 -1.979 -28.679 2.397 576 H LYS 81 H LYS 81 0.129 -27.902 1.440 577 HA LYS 81 HA LYS 81 1.327 -26.616 -0.720 578 HB2 LYS 81 1HB LYS 81 2.868 -27.868 0.408 579 HB3 LYS 81 2HB LYS 81 1.738 -29.182 0.711 580 HG2 LYS 81 1HG LYS 81 2.136 -30.174 -1.339 581 HG3 LYS 81 2HG LYS 81 2.756 -28.683 -2.054 582 HD2 LYS 81 1HD LYS 81 4.714 -29.831 -1.731 583 HD3 LYS 81 2HD LYS 81 4.607 -28.955 -0.202 584 HE2 LYS 81 1HE LYS 81 3.524 -31.738 -0.573 585 HE3 LYS 81 2HE LYS 81 5.178 -31.419 -0.053 586 HZ1 LYS 81 1HZ LYS 81 3.543 -29.875 1.556 587 HZ2 LYS 81 2HZ LYS 81 4.405 -31.260 2.001 588 HZ3 LYS 81 3HZ LYS 81 2.802 -31.394 1.478 589 HA PRO 82 HA PRO 82 -0.290 -30.167 -3.571 590 HB2 PRO 82 1HB PRO 82 -2.180 -31.823 -2.543 591 HB3 PRO 82 2HB PRO 82 -0.447 -32.141 -2.405 592 HG2 PRO 82 1HG PRO 82 -2.322 -30.956 -0.394 593 HG3 PRO 82 2HG PRO 82 -1.044 -32.162 -0.158 594 HD2 PRO 82 1HD PRO 82 -0.711 -29.547 0.459 595 HD3 PRO 82 2HD PRO 82 0.623 -30.571 -0.110 596 H TYR 83 H TYR 83 -2.122 -28.140 -1.580 597 HA TYR 83 HA TYR 83 -4.578 -28.332 -3.100 598 HB2 TYR 83 1HB TYR 83 -4.769 -27.877 -0.735 599 HB3 TYR 83 2HB TYR 83 -3.714 -26.476 -0.875 600 HD1 TYR 83 2HD TYR 83 -4.525 -24.433 -2.035 601 HD2 TYR 83 1HD TYR 83 -7.094 -27.732 -1.246 602 HE1 TYR 83 2HE TYR 83 -6.481 -22.993 -2.416 603 HE2 TYR 83 1HE TYR 83 -9.058 -26.301 -1.625 604 HH TYR 83 HH TYR 83 -8.780 -23.110 -2.936 605 H TRP 84 H TRP 84 -1.926 -26.022 -2.685 606 HA TRP 84 HA TRP 84 -2.895 -23.950 -4.263 607 HB2 TRP 84 1HB TRP 84 -0.970 -23.443 -3.038 608 HB3 TRP 84 2HB TRP 84 -0.126 -24.890 -3.583 609 HD1 TRP 84 HD TRP 84 1.910 -24.061 -4.898 610 HE1 TRP 84 1HE TRP 84 2.311 -22.363 -6.791 611 HE3 TRP 84 3HE TRP 84 -2.793 -22.083 -5.225 612 HZ2 TRP 84 2HZ TRP 84 0.830 -20.440 -8.232 613 HZ3 TRP 84 3HZ TRP 84 -3.217 -20.318 -6.887 614 HH2 TRP 84 HH TRP 84 -1.442 -19.515 -8.357 615 H LYS 85 H LYS 85 -1.140 -26.871 -5.193 616 HA LYS 85 HA LYS 85 -0.652 -26.270 -7.867 617 HB2 LYS 85 1HB LYS 85 -1.058 -28.834 -6.368 618 HB3 LYS 85 2HB LYS 85 -0.890 -28.861 -8.119 619 HG2 LYS 85 1HG LYS 85 1.281 -27.759 -7.932 620 HG3 LYS 85 2HG LYS 85 1.113 -27.728 -6.175 621 HD2 LYS 85 1HD LYS 85 0.739 -30.323 -6.524 622 HD3 LYS 85 2HD LYS 85 1.661 -30.016 -7.998 623 HE2 LYS 85 1HE LYS 85 3.502 -29.144 -6.741 624 HE3 LYS 85 2HE LYS 85 2.567 -29.184 -5.247 625 HZ1 LYS 85 1HZ LYS 85 4.116 -31.041 -5.404 626 HZ2 LYS 85 2HZ LYS 85 3.370 -31.566 -6.828 627 HZ3 LYS 85 3HZ LYS 85 2.515 -31.586 -5.368 628 H ASP 86 H ASP 86 -3.560 -27.447 -6.292 629 HA ASP 86 HA ASP 86 -5.093 -28.376 -8.332 630 HB2 ASP 86 1HB ASP 86 -5.990 -26.484 -6.147 631 HB3 ASP 86 2HB ASP 86 -7.063 -27.475 -7.132 632 HA PRO 87 HA PRO 87 -4.906 -24.834 -11.107 633 HB2 PRO 87 1HB PRO 87 -5.923 -26.171 -13.240 634 HB3 PRO 87 2HB PRO 87 -4.232 -26.300 -12.743 635 HG2 PRO 87 1HG PRO 87 -6.512 -28.161 -12.199 636 HG3 PRO 87 2HG PRO 87 -4.847 -28.541 -12.673 637 HD2 PRO 87 1HD PRO 87 -5.712 -28.728 -10.114 638 HD3 PRO 87 2HD PRO 87 -4.044 -28.283 -10.528 639 H ASN 88 H ASN 88 -7.551 -26.655 -9.932 640 HA ASN 88 HA ASN 88 -9.518 -24.933 -11.251 641 HB2 ASN 88 1HB ASN 88 -11.186 -26.501 -10.221 642 HB3 ASN 88 2HB ASN 88 -10.067 -27.273 -11.341 643 HD21 ASN 88 1HD2 ASN 88 -8.572 -28.728 -10.581 644 HD22 ASN 88 2HD2 ASN 88 -8.619 -29.367 -8.976 645 H ASN 89 H ASN 89 -7.677 -24.066 -9.074 646 HA ASN 89 HA ASN 89 -9.433 -23.642 -6.803 647 HB2 ASN 89 1HB ASN 89 -6.552 -23.131 -7.397 648 HB3 ASN 89 2HB ASN 89 -7.325 -22.173 -6.138 649 HD21 ASN 89 1HD2 ASN 89 -5.251 -23.825 -5.531 650 HD22 ASN 89 2HD2 ASN 89 -5.818 -25.163 -4.596 651 H ASP 90 H ASP 90 -10.237 -21.665 -6.125 652 HA ASP 90 HA ASP 90 -11.067 -19.866 -8.096 653 HB2 ASP 90 1HB ASP 90 -11.436 -18.355 -5.953 654 HB3 ASP 90 2HB ASP 90 -12.434 -19.776 -6.249 655 H PHE 91 H PHE 91 -8.110 -20.080 -6.382 656 HA PHE 91 HA PHE 91 -7.335 -17.344 -6.559 657 HB2 PHE 91 1HB PHE 91 -5.764 -19.887 -6.130 658 HB3 PHE 91 2HB PHE 91 -5.019 -18.291 -6.139 659 HD1 PHE 91 2HD PHE 91 -6.053 -16.551 -4.502 660 HD2 PHE 91 1HD PHE 91 -6.541 -20.764 -4.148 661 HE1 PHE 91 2HE PHE 91 -6.594 -16.284 -2.117 662 HE2 PHE 91 1HE PHE 91 -7.084 -20.504 -1.762 663 HZ PHE 91 HZ PHE 91 -7.110 -18.262 -0.743 664 H ARG 92 H ARG 92 -6.890 -20.178 -8.603 665 HA ARG 92 HA ARG 92 -5.347 -18.608 -10.525 666 HB2 ARG 92 1HB ARG 92 -6.083 -21.532 -10.679 667 HB3 ARG 92 2HB ARG 92 -4.858 -20.691 -11.619 668 HG2 ARG 92 1HG ARG 92 -3.390 -20.562 -9.830 669 HG3 ARG 92 2HG ARG 92 -4.668 -20.811 -8.638 670 HD2 ARG 92 1HD ARG 92 -4.744 -23.090 -9.001 671 HD3 ARG 92 2HD ARG 92 -4.059 -22.958 -10.620 672 HE ARG 92 HE ARG 92 -2.626 -23.281 -8.177 673 HH11 ARG 92 2HH1 ARG 92 -2.464 -21.870 -11.355 674 HH12 ARG 92 1HH1 ARG 92 -0.733 -21.906 -11.425 675 HH21 ARG 92 2HH2 ARG 92 -0.347 -23.334 -8.257 676 HH22 ARG 92 1HH2 ARG 92 0.470 -22.739 -9.662 677 H GLN 93 H GLN 93 -8.535 -19.356 -9.889 678 HA GLN 93 HA GLN 93 -9.339 -19.319 -12.704 679 HB2 GLN 93 1HB GLN 93 -10.995 -19.772 -10.215 680 HB3 GLN 93 2HB GLN 93 -11.580 -19.889 -11.869 681 HG2 GLN 93 1HG GLN 93 -9.278 -21.571 -11.000 682 HG3 GLN 93 2HG GLN 93 -10.919 -22.030 -10.549 683 HE21 GLN 93 1HE2 GLN 93 -8.554 -22.185 -12.916 684 HE22 GLN 93 2HE2 GLN 93 -9.521 -22.797 -14.210 685 H LYS 94 H LYS 94 -9.933 -17.596 -9.658 686 HA LYS 94 HA LYS 94 -11.230 -15.430 -11.140 687 HB2 LYS 94 1HB LYS 94 -10.923 -15.703 -8.149 688 HB3 LYS 94 2HB LYS 94 -12.003 -14.619 -9.015 689 HG2 LYS 94 1HG LYS 94 -13.074 -16.746 -9.957 690 HG3 LYS 94 2HG LYS 94 -12.206 -17.587 -8.670 691 HD2 LYS 94 1HD LYS 94 -13.274 -15.805 -7.121 692 HD3 LYS 94 2HD LYS 94 -14.394 -15.551 -8.462 693 HE2 LYS 94 1HE LYS 94 -15.125 -17.819 -8.377 694 HE3 LYS 94 2HE LYS 94 -13.845 -18.251 -7.244 695 HZ1 LYS 94 1HZ LYS 94 -15.797 -18.031 -5.981 696 HZ2 LYS 94 2HZ LYS 94 -16.238 -16.583 -6.735 697 HZ3 LYS 94 3HZ LYS 94 -14.917 -16.618 -5.679 698 H LEU 95 H LEU 95 -8.721 -15.810 -8.632 699 HA LEU 95 HA LEU 95 -7.724 -13.154 -9.027 700 HB2 LEU 95 1HB LEU 95 -6.756 -15.530 -7.468 701 HB3 LEU 95 2HB LEU 95 -5.819 -14.041 -7.576 702 HG LEU 95 HG LEU 95 -8.588 -14.303 -6.403 703 HD11 LEU 95 1HD1 LEU 95 -6.825 -13.403 -4.470 704 HD12 LEU 95 2HD1 LEU 95 -5.937 -14.680 -5.302 705 HD13 LEU 95 3HD1 LEU 95 -7.516 -15.021 -4.593 706 HD21 LEU 95 1HD2 LEU 95 -8.346 -12.128 -7.355 707 HD22 LEU 95 2HD2 LEU 95 -6.725 -11.952 -6.684 708 HD23 LEU 95 3HD2 LEU 95 -8.126 -11.977 -5.612 709 H LYS 96 H LYS 96 -7.213 -16.172 -10.536 710 HA LYS 96 HA LYS 96 -5.709 -16.943 -12.070 711 HB2 LYS 96 1HB LYS 96 -5.627 -13.999 -12.755 712 HB3 LYS 96 2HB LYS 96 -5.048 -15.296 -13.792 713 HG2 LYS 96 1HG LYS 96 -7.862 -15.388 -12.835 714 HG3 LYS 96 2HG LYS 96 -7.433 -14.250 -14.114 715 HD2 LYS 96 1HD LYS 96 -6.509 -17.068 -14.365 716 HD3 LYS 96 2HD LYS 96 -8.215 -16.720 -14.654 717 HE2 LYS 96 1HE LYS 96 -7.552 -15.008 -16.302 718 HE3 LYS 96 2HE LYS 96 -5.862 -15.440 -16.043 719 HZ1 LYS 96 1HZ LYS 96 -7.179 -16.481 -17.998 720 HZ2 LYS 96 2HZ LYS 96 -7.786 -17.525 -16.814 721 HZ3 LYS 96 3HZ LYS 96 -6.120 -17.446 -17.098 722 H ILE 97 H ILE 97 -4.526 -16.724 -9.627 723 HA ILE 97 HA ILE 97 -2.192 -15.165 -9.517 724 HB ILE 97 HB ILE 97 -2.771 -17.812 -8.183 725 HG12 ILE 97 1HG1 ILE 97 -4.389 -16.172 -7.511 726 HG13 ILE 97 2HG1 ILE 97 -3.224 -16.333 -6.201 727 HG21 ILE 97 1HG2 ILE 97 -0.599 -17.772 -7.659 728 HG22 ILE 97 2HG2 ILE 97 -0.410 -16.103 -8.194 729 HG23 ILE 97 3HG2 ILE 97 -1.018 -16.446 -6.575 730 HD11 ILE 97 1HD1 ILE 97 -2.073 -14.305 -7.092 731 HD12 ILE 97 2HD1 ILE 97 -3.422 -14.111 -8.212 732 HD13 ILE 97 3HD1 ILE 97 -3.701 -14.027 -6.472 733 H THR 98 H THR 98 -0.210 -15.400 -10.358 734 HA THR 98 HA THR 98 0.228 -17.426 -12.350 735 HB THR 98 HB THR 98 2.283 -15.466 -11.331 736 HG1 THR 98 1HG THR 98 0.634 -14.934 -13.556 737 HG21 THR 98 1HG2 THR 98 1.911 -17.049 -13.860 738 HG22 THR 98 2HG2 THR 98 3.301 -17.016 -12.775 739 HG23 THR 98 3HG2 THR 98 2.949 -15.625 -13.800 740 H ALA 99 H ALA 99 1.940 -16.502 -9.358 741 HA ALA 99 HA ALA 99 2.397 -19.245 -8.660 742 HB1 ALA 99 1HB ALA 99 4.638 -19.486 -9.061 743 HB2 ALA 99 2HB ALA 99 4.173 -18.500 -10.448 744 HB3 ALA 99 3HB ALA 99 4.941 -17.748 -9.050 745 H VAL 100 H VAL 100 2.422 -19.383 -6.512 746 HA VAL 100 HA VAL 100 2.550 -16.964 -4.931 747 HB VAL 100 HB VAL 100 1.853 -18.297 -3.069 748 HG11 VAL 100 1HG1 VAL 100 -0.084 -17.917 -4.186 749 HG12 VAL 100 2HG1 VAL 100 0.494 -18.675 -5.671 750 HG13 VAL 100 3HG1 VAL 100 -0.056 -19.675 -4.326 751 HG21 VAL 100 1HG2 VAL 100 1.534 -20.823 -3.484 752 HG22 VAL 100 2HG2 VAL 100 2.705 -20.602 -4.784 753 HG23 VAL 100 3HG2 VAL 100 3.153 -20.227 -3.121 754 HA PRO 101 HA PRO 101 2.809 -16.593 -2.663 755 HB2 PRO 101 1HB PRO 101 4.351 -14.535 -1.794 756 HB3 PRO 101 2HB PRO 101 4.211 -16.065 -0.920 757 HG2 PRO 101 1HG PRO 101 6.371 -15.130 -2.770 758 HG3 PRO 101 2HG PRO 101 6.515 -15.979 -1.220 759 HD2 PRO 101 1HD PRO 101 6.744 -17.247 -3.601 760 HD3 PRO 101 2HD PRO 101 6.070 -18.035 -2.160 761 H THR 102 H THR 102 1.592 -14.950 -3.464 762 HA THR 102 HA THR 102 2.746 -13.365 -5.667 763 HB THR 102 HB THR 102 -0.131 -14.269 -5.440 764 HG1 THR 102 1HG THR 102 1.889 -15.189 -7.229 765 HG21 THR 102 1HG2 THR 102 1.403 -12.707 -7.503 766 HG22 THR 102 2HG2 THR 102 -0.094 -12.267 -6.680 767 HG23 THR 102 3HG2 THR 102 -0.096 -13.549 -7.891 768 H LEU 103 H LEU 103 3.023 -11.348 -4.969 769 HA LEU 103 HA LEU 103 1.171 -10.212 -3.019 770 HB2 LEU 103 1HB LEU 103 3.601 -10.015 -2.658 771 HB3 LEU 103 2HB LEU 103 3.729 -9.086 -4.150 772 HG LEU 103 HG LEU 103 2.228 -7.370 -3.093 773 HD11 LEU 103 1HD1 LEU 103 2.917 -8.551 -0.448 774 HD12 LEU 103 2HD1 LEU 103 1.512 -9.162 -1.320 775 HD13 LEU 103 3HD1 LEU 103 1.608 -7.454 -0.890 776 HD21 LEU 103 1HD2 LEU 103 4.103 -6.671 -1.417 777 HD22 LEU 103 2HD2 LEU 103 4.432 -6.707 -3.149 778 HD23 LEU 103 3HD2 LEU 103 4.971 -8.035 -2.120 779 H LEU 104 H LEU 104 -0.656 -9.688 -4.154 780 HA LEU 104 HA LEU 104 -0.392 -8.022 -6.543 781 HB2 LEU 104 1HB LEU 104 -1.929 -9.692 -6.970 782 HB3 LEU 104 2HB LEU 104 -2.592 -9.639 -5.337 783 HG LEU 104 HG LEU 104 -3.548 -7.356 -5.997 784 HD11 LEU 104 1HD1 LEU 104 -3.702 -6.755 -8.223 785 HD12 LEU 104 2HD1 LEU 104 -3.331 -8.381 -8.797 786 HD13 LEU 104 3HD1 LEU 104 -2.055 -7.375 -8.113 787 HD21 LEU 104 1HD2 LEU 104 -5.537 -8.342 -6.682 788 HD22 LEU 104 2HD2 LEU 104 -4.722 -9.646 -5.817 789 HD23 LEU 104 3HD2 LEU 104 -4.713 -9.616 -7.581 790 H LYS 105 H LYS 105 -0.848 -5.906 -6.575 791 HA LYS 105 HA LYS 105 -1.600 -4.638 -4.054 792 HB2 LYS 105 1HB LYS 105 0.381 -3.786 -5.216 793 HB3 LYS 105 2HB LYS 105 -0.589 -3.444 -6.643 794 HG2 LYS 105 1HG LYS 105 -1.789 -1.729 -5.515 795 HG3 LYS 105 2HG LYS 105 -1.086 -2.179 -3.960 796 HD2 LYS 105 1HD LYS 105 1.124 -1.516 -4.759 797 HD3 LYS 105 2HD LYS 105 0.438 -1.094 -6.330 798 HE2 LYS 105 1HE LYS 105 -0.689 0.157 -3.869 799 HE3 LYS 105 2HE LYS 105 0.851 0.742 -4.496 800 HZ1 LYS 105 1HZ LYS 105 -0.294 1.958 -5.928 801 HZ2 LYS 105 2HZ LYS 105 -1.760 1.273 -5.435 802 HZ3 LYS 105 3HZ LYS 105 -0.857 0.543 -6.665 803 H TYR 106 H TYR 106 -3.813 -5.032 -3.972 804 HA TYR 106 HA TYR 106 -5.719 -4.867 -5.898 805 HB2 TYR 106 1HB TYR 106 -5.871 -5.222 -3.282 806 HB3 TYR 106 2HB TYR 106 -6.319 -3.520 -3.299 807 HD1 TYR 106 2HD TYR 106 -7.153 -6.363 -5.579 808 HD2 TYR 106 1HD TYR 106 -8.596 -3.338 -2.957 809 HE1 TYR 106 2HE TYR 106 -9.464 -6.981 -6.147 810 HE2 TYR 106 1HE TYR 106 -10.911 -3.949 -3.517 811 HH TYR 106 HH TYR 106 -11.712 -5.914 -6.135 812 H GLY 107 H GLY 107 -5.955 -3.388 -7.440 813 HA2 GLY 107 1HA GLY 107 -7.007 -1.125 -7.722 814 HA3 GLY 107 2HA GLY 107 -5.717 -0.542 -6.681 815 H THR 108 H THR 108 -3.663 -2.204 -7.855 816 HA THR 108 HA THR 108 -3.471 -1.012 -10.543 817 HB THR 108 HB THR 108 -1.043 -0.677 -10.157 818 HG1 THR 108 1HG THR 108 -1.215 -2.244 -8.226 819 HG21 THR 108 1HG2 THR 108 -2.935 0.729 -8.273 820 HG22 THR 108 2HG2 THR 108 -2.466 1.235 -9.896 821 HG23 THR 108 3HG2 THR 108 -1.284 1.260 -8.588 822 HA PRO 109 HA PRO 109 -2.406 -5.029 -11.975 823 HB2 PRO 109 1HB PRO 109 -0.875 -4.387 -14.123 824 HB3 PRO 109 2HB PRO 109 -2.631 -4.184 -14.100 825 HG2 PRO 109 1HG PRO 109 -0.482 -2.147 -13.658 826 HG3 PRO 109 2HG PRO 109 -1.978 -2.009 -14.601 827 HD2 PRO 109 1HD PRO 109 -1.730 -0.989 -12.105 828 HD3 PRO 109 2HD PRO 109 -3.268 -1.615 -12.732 829 H GLN 110 H GLN 110 -0.243 -3.026 -10.473 830 HA GLN 110 HA GLN 110 2.199 -4.408 -11.074 831 HB2 GLN 110 1HB GLN 110 1.373 -2.250 -9.185 832 HB3 GLN 110 2HB GLN 110 2.873 -3.111 -8.867 833 HG2 GLN 110 1HG GLN 110 3.345 -2.565 -11.390 834 HG3 GLN 110 2HG GLN 110 2.168 -1.284 -11.103 835 HE21 GLN 110 1HE2 GLN 110 2.618 -0.185 -8.855 836 HE22 GLN 110 2HE2 GLN 110 4.251 0.334 -8.639 837 H LYS 111 H LYS 111 2.681 -6.366 -10.361 838 HA LYS 111 HA LYS 111 1.963 -7.101 -7.616 839 HB2 LYS 111 1HB LYS 111 1.243 -9.329 -8.332 840 HB3 LYS 111 2HB LYS 111 0.238 -8.078 -9.052 841 HG2 LYS 111 1HG LYS 111 0.573 -9.375 -10.881 842 HG3 LYS 111 2HG LYS 111 1.983 -8.323 -11.025 843 HD2 LYS 111 1HD LYS 111 2.973 -10.376 -11.275 844 HD3 LYS 111 2HD LYS 111 3.106 -10.173 -9.527 845 HE2 LYS 111 1HE LYS 111 1.148 -11.540 -9.179 846 HE3 LYS 111 2HE LYS 111 0.872 -11.648 -10.917 847 HZ1 LYS 111 1HZ LYS 111 1.915 -13.637 -10.354 848 HZ2 LYS 111 2HZ LYS 111 3.026 -12.890 -9.321 849 HZ3 LYS 111 3HZ LYS 111 3.169 -12.701 -10.996 850 H LEU 112 H LEU 112 3.370 -8.553 -6.621 851 HA LEU 112 HA LEU 112 5.891 -9.002 -8.075 852 HB2 LEU 112 1HB LEU 112 5.482 -8.849 -5.094 853 HB3 LEU 112 2HB LEU 112 7.021 -8.958 -5.947 854 HG LEU 112 HG LEU 112 5.125 -6.610 -5.998 855 HD11 LEU 112 1HD1 LEU 112 7.559 -5.792 -5.008 856 HD12 LEU 112 2HD1 LEU 112 7.325 -7.369 -4.256 857 HD13 LEU 112 3HD1 LEU 112 6.105 -6.110 -4.061 858 HD21 LEU 112 1HD2 LEU 112 6.375 -6.976 -8.114 859 HD22 LEU 112 2HD2 LEU 112 7.879 -6.866 -7.199 860 HD23 LEU 112 3HD2 LEU 112 6.798 -5.474 -7.292 861 H VAL 113 H VAL 113 6.511 -11.029 -8.441 862 HA VAL 113 HA VAL 113 4.936 -13.206 -7.314 863 HB VAL 113 HB VAL 113 7.178 -13.725 -9.203 864 HG11 VAL 113 1HG1 VAL 113 6.113 -15.691 -8.832 865 HG12 VAL 113 2HG1 VAL 113 4.574 -14.915 -8.456 866 HG13 VAL 113 3HG1 VAL 113 5.084 -15.099 -10.135 867 HG21 VAL 113 1HG2 VAL 113 4.709 -12.168 -9.855 868 HG22 VAL 113 2HG2 VAL 113 6.371 -11.895 -10.376 869 HG23 VAL 113 3HG2 VAL 113 5.440 -13.226 -11.062 870 H GLU 114 H GLU 114 6.323 -15.295 -6.938 871 HA GLU 114 HA GLU 114 7.562 -15.284 -4.591 872 HB2 GLU 114 1HB GLU 114 8.815 -16.853 -6.835 873 HB3 GLU 114 2HB GLU 114 8.671 -17.301 -5.141 874 HG2 GLU 114 1HG GLU 114 6.159 -17.309 -5.518 875 HG3 GLU 114 2HG GLU 114 6.530 -17.240 -7.239 876 H SER 115 H SER 115 9.559 -15.124 -7.544 877 HA SER 115 HA SER 115 11.949 -14.451 -6.333 878 HB2 SER 115 1HB SER 115 10.857 -13.824 -9.072 879 HB3 SER 115 2HB SER 115 12.485 -13.345 -8.591 880 HG SER 115 HG SER 115 12.768 -15.640 -8.035 881 H GLU 116 H GLU 116 9.395 -12.295 -7.516 882 HA GLU 116 HA GLU 116 10.790 -9.906 -6.782 883 HB2 GLU 116 1HB GLU 116 7.834 -10.218 -7.314 884 HB3 GLU 116 2HB GLU 116 8.782 -8.741 -7.411 885 HG2 GLU 116 1HG GLU 116 10.115 -9.938 -9.236 886 HG3 GLU 116 2HG GLU 116 8.781 -11.090 -9.266 887 H CYS 117 H CYS 117 9.118 -12.234 -5.029 888 HA CYS 117 HA CYS 117 8.167 -10.415 -2.970 889 HB2 CYS 117 1HB CYS 117 8.008 -13.401 -3.345 890 HB3 CYS 117 2HB CYS 117 7.526 -12.627 -1.839 891 HG CYS 117 HG CYS 117 6.129 -11.971 -4.895 892 H CYS 118 H CYS 118 10.992 -12.125 -3.725 893 HA CYS 118 HA CYS 118 11.897 -12.107 -0.931 894 HB2 CYS 118 1HB CYS 118 12.171 -14.258 -1.981 895 HB3 CYS 118 2HB CYS 118 12.974 -13.532 -3.368 896 HG CYS 118 HG CYS 118 14.246 -13.689 -0.193 897 H GLN 119 H GLN 119 12.016 -10.257 -3.684 898 HA GLN 119 HA GLN 119 14.709 -9.231 -3.171 899 HB2 GLN 119 1HB GLN 119 12.805 -9.074 -5.463 900 HB3 GLN 119 2HB GLN 119 13.977 -7.779 -5.261 901 HG2 GLN 119 1HG GLN 119 14.527 -9.836 -6.755 902 HG3 GLN 119 2HG GLN 119 15.764 -9.134 -5.714 903 HE21 GLN 119 1HE2 GLN 119 13.969 -11.908 -6.487 904 HE22 GLN 119 2HE2 GLN 119 14.575 -12.940 -5.241 905 H SER 120 H SER 120 14.587 -7.934 -1.407 906 HA SER 120 HA SER 120 12.494 -6.316 -0.612 907 HB2 SER 120 1HB SER 120 14.560 -4.879 0.330 908 HB3 SER 120 2HB SER 120 14.068 -6.414 1.044 909 HG SER 120 HG SER 120 15.862 -7.285 0.376 910 H SER 121 H SER 121 15.143 -5.584 -2.831 911 HA SER 121 HA SER 121 14.840 -2.877 -3.174 912 HB2 SER 121 1HB SER 121 16.513 -4.500 -4.285 913 HB3 SER 121 2HB SER 121 15.285 -4.693 -5.536 914 HG SER 121 HG SER 121 16.716 -3.039 -6.099 915 H LEU 122 H LEU 122 12.771 -5.445 -4.295 916 HA LEU 122 HA LEU 122 11.213 -3.637 -5.965 917 HB2 LEU 122 1HB LEU 122 10.983 -6.584 -5.390 918 HB3 LEU 122 2HB LEU 122 9.853 -5.695 -6.410 919 HG LEU 122 HG LEU 122 12.792 -5.779 -7.023 920 HD11 LEU 122 1HD1 LEU 122 10.845 -7.641 -8.311 921 HD12 LEU 122 2HD1 LEU 122 11.624 -8.089 -6.795 922 HD13 LEU 122 3HD1 LEU 122 12.604 -7.741 -8.219 923 HD21 LEU 122 1HD2 LEU 122 11.978 -5.342 -9.300 924 HD22 LEU 122 2HD2 LEU 122 11.488 -4.084 -8.166 925 HD23 LEU 122 3HD2 LEU 122 10.324 -5.302 -8.690 926 H VAL 123 H VAL 123 10.930 -5.456 -2.959 927 HA VAL 123 HA VAL 123 8.218 -5.022 -2.440 928 HB VAL 123 HB VAL 123 10.496 -5.295 -0.474 929 HG11 VAL 123 1HG1 VAL 123 8.939 -5.664 1.232 930 HG12 VAL 123 2HG1 VAL 123 8.301 -4.268 0.361 931 HG13 VAL 123 3HG1 VAL 123 7.606 -5.868 0.097 932 HG21 VAL 123 1HG2 VAL 123 8.767 -7.570 -0.672 933 HG22 VAL 123 2HG2 VAL 123 9.371 -7.142 -2.272 934 HG23 VAL 123 3HG2 VAL 123 10.504 -7.463 -0.959 935 H GLU 124 H GLU 124 11.048 -3.025 -1.754 936 HA GLU 124 HA GLU 124 9.527 -1.041 -0.327 937 HB2 GLU 124 1HB GLU 124 11.594 0.190 -0.181 938 HB3 GLU 124 2HB GLU 124 11.920 -1.504 0.156 939 HG2 GLU 124 1HG GLU 124 12.841 -1.824 -2.034 940 HG3 GLU 124 2HG GLU 124 12.374 -0.193 -2.512 941 H MET 125 H MET 125 10.186 -1.732 -3.596 942 HA MET 125 HA MET 125 9.938 0.974 -4.558 943 HB2 MET 125 1HB MET 125 11.291 -0.681 -5.772 944 HB3 MET 125 2HB MET 125 9.852 -1.653 -6.053 945 HG2 MET 125 1HG MET 125 8.890 0.313 -7.282 946 HG3 MET 125 2HG MET 125 10.479 1.067 -7.163 947 HE1 MET 125 1HE MET 125 8.250 -0.942 -9.489 948 HE2 MET 125 2HE MET 125 9.196 -2.382 -9.864 949 HE3 MET 125 3HE MET 125 8.585 -2.129 -8.228 950 H ILE 126 H ILE 126 7.917 -1.954 -4.667 951 HA ILE 126 HA ILE 126 5.715 -0.809 -5.962 952 HB ILE 126 HB ILE 126 6.088 -3.264 -5.581 953 HG12 ILE 126 1HG1 ILE 126 3.361 -2.484 -4.590 954 HG13 ILE 126 2HG1 ILE 126 3.870 -2.070 -6.223 955 HG21 ILE 126 1HG2 ILE 126 6.240 -4.088 -3.527 956 HG22 ILE 126 2HG2 ILE 126 6.041 -2.461 -2.879 957 HG23 ILE 126 3HG2 ILE 126 4.629 -3.485 -3.138 958 HD11 ILE 126 1HD1 ILE 126 2.605 -4.113 -6.250 959 HD12 ILE 126 2HD1 ILE 126 4.285 -4.457 -6.661 960 HD13 ILE 126 3HD1 ILE 126 3.677 -4.832 -5.049 961 H PHE 127 H PHE 127 6.825 -0.532 -2.708 962 HA PHE 127 HA PHE 127 4.267 0.538 -1.785 963 HB2 PHE 127 1HB PHE 127 6.844 0.010 -0.291 964 HB3 PHE 127 2HB PHE 127 5.354 0.596 0.441 965 HD1 PHE 127 2HD PHE 127 3.378 -1.091 -1.004 966 HD2 PHE 127 1HD PHE 127 7.142 -2.061 0.730 967 HE1 PHE 127 2HE PHE 127 2.627 -3.411 -0.680 968 HE2 PHE 127 1HE PHE 127 6.398 -4.383 1.056 969 HZ PHE 127 HZ PHE 127 4.137 -5.061 0.352 970 H SER 128 H SER 128 7.575 1.527 -2.442 971 HA SER 128 HA SER 128 7.306 4.165 -1.401 972 HB2 SER 128 1HB SER 128 9.501 3.076 -1.675 973 HB3 SER 128 2HB SER 128 9.286 3.088 -3.425 974 HG SER 128 HG SER 128 9.455 5.276 -3.437 975 H GLU 129 H GLU 129 7.369 2.896 -4.732 976 HA GLU 129 HA GLU 129 6.702 5.391 -5.920 977 HB2 GLU 129 1HB GLU 129 7.875 3.516 -7.088 978 HB3 GLU 129 2HB GLU 129 6.358 2.629 -7.094 979 HG2 GLU 129 1HG GLU 129 6.834 3.746 -9.232 980 HG3 GLU 129 2HG GLU 129 5.328 4.286 -8.491 981 H ASP 130 H ASP 130 4.838 6.323 -5.294 982 HA ASP 130 HA ASP 130 2.521 5.309 -4.378 983 HB2 ASP 130 1HB ASP 130 2.900 7.598 -6.308 984 HB3 ASP 130 2HB ASP 130 1.350 7.232 -5.556 Start of MODEL 8 1 H1 GLY 1 H GLY 1 7.818 30.604 13.400 2 HA2 GLY 1 1HA GLY 1 8.042 30.052 11.109 3 HA3 GLY 1 2HA GLY 1 9.789 30.086 11.297 4 H SER 2 H SER 2 6.914 28.252 12.297 5 HA SER 2 HA SER 2 8.506 25.898 12.839 6 HB2 SER 2 1HB SER 2 5.593 26.585 13.069 7 HB3 SER 2 2HB SER 2 6.107 24.899 13.127 8 HG SER 2 HG SER 2 6.431 26.915 14.981 9 H GLU 3 H GLU 3 7.606 23.760 11.911 10 HA GLU 3 HA GLU 3 6.468 23.817 9.297 11 HB2 GLU 3 1HB GLU 3 8.401 23.015 8.045 12 HB3 GLU 3 2HB GLU 3 8.729 24.596 8.739 13 HG2 GLU 3 1HG GLU 3 10.211 23.748 10.302 14 HG3 GLU 3 2HG GLU 3 9.567 22.112 10.171 15 H GLY 4 H GLY 4 6.413 21.620 8.309 16 HA2 GLY 4 1HA GLY 4 7.016 19.403 10.089 17 HA3 GLY 4 2HA GLY 4 5.306 19.706 9.816 18 H ALA 5 H ALA 5 4.379 19.163 7.870 19 HA ALA 5 HA ALA 5 4.087 17.870 6.013 20 HB1 ALA 5 1HB ALA 5 5.368 19.872 5.149 21 HB2 ALA 5 2HB ALA 5 6.805 18.849 5.177 22 HB3 ALA 5 3HB ALA 5 5.436 18.417 4.153 23 H ALA 6 H ALA 6 5.390 16.615 8.311 24 HA ALA 6 HA ALA 6 6.712 14.414 6.876 25 HB1 ALA 6 1HB ALA 6 7.826 14.388 9.421 26 HB2 ALA 6 2HB ALA 6 8.617 14.883 7.924 27 HB3 ALA 6 3HB ALA 6 7.835 16.087 8.947 28 H THR 7 H THR 7 5.810 12.497 7.241 29 HA THR 7 HA THR 7 4.704 11.768 9.787 30 HB THR 7 HB THR 7 2.818 13.062 8.904 31 HG1 THR 7 1HG THR 7 2.289 10.263 8.793 32 HG21 THR 7 1HG2 THR 7 1.741 11.528 6.879 33 HG22 THR 7 2HG2 THR 7 3.457 11.582 6.476 34 HG23 THR 7 3HG2 THR 7 2.551 13.081 6.680 35 H MET 8 H MET 8 4.054 9.533 9.878 36 HA MET 8 HA MET 8 5.329 7.939 7.765 37 HB2 MET 8 1HB MET 8 4.753 7.347 10.667 38 HB3 MET 8 2HB MET 8 5.287 6.116 9.530 39 HG2 MET 8 1HG MET 8 7.391 7.051 9.305 40 HG3 MET 8 2HG MET 8 6.860 8.629 9.881 41 HE1 MET 8 1HE MET 8 8.101 8.971 12.980 42 HE2 MET 8 2HE MET 8 6.920 9.484 11.774 43 HE3 MET 8 3HE MET 8 6.383 8.672 13.246 44 H ALA 9 H ALA 9 4.223 6.417 6.646 45 HA ALA 9 HA ALA 9 1.428 6.572 6.462 46 HB1 ALA 9 1HB ALA 9 2.157 5.727 4.515 47 HB2 ALA 9 2HB ALA 9 3.552 4.946 5.259 48 HB3 ALA 9 3HB ALA 9 1.970 4.169 5.321 49 H THR 10 H THR 10 0.017 4.532 6.610 50 HA THR 10 HA THR 10 0.583 3.136 9.144 51 HB THR 10 HB THR 10 -1.900 3.092 9.518 52 HG1 THR 10 1HG THR 10 -3.208 4.211 8.207 53 HG21 THR 10 1HG2 THR 10 -0.044 5.157 9.998 54 HG22 THR 10 2HG2 THR 10 -1.528 4.811 10.886 55 HG23 THR 10 3HG2 THR 10 -1.554 5.940 9.532 56 H PHE 11 H PHE 11 0.685 1.003 8.952 57 HA PHE 11 HA PHE 11 -0.767 -0.279 6.731 58 HB2 PHE 11 1HB PHE 11 1.021 -1.698 6.292 59 HB3 PHE 11 2HB PHE 11 1.839 -0.189 6.686 60 HD1 PHE 11 1HD PHE 11 0.870 -3.494 8.022 61 HD2 PHE 11 2HD PHE 11 3.309 -0.041 8.516 62 HE1 PHE 11 1HE PHE 11 2.145 -4.650 9.780 63 HE2 PHE 11 2HE PHE 11 4.588 -1.192 10.274 64 HZ PHE 11 HZ PHE 11 4.008 -3.500 10.907 65 H GLU 12 H GLU 12 -2.057 -1.964 7.209 66 HA GLU 12 HA GLU 12 -2.001 -2.971 9.978 67 HB2 GLU 12 1HB GLU 12 -3.991 -1.529 9.301 68 HB3 GLU 12 2HB GLU 12 -4.459 -2.850 8.239 69 HG2 GLU 12 1HG GLU 12 -5.700 -3.047 10.256 70 HG3 GLU 12 2HG GLU 12 -4.510 -4.347 10.220 71 H GLU 13 H GLU 13 -1.538 -5.055 10.164 72 HA GLU 13 HA GLU 13 -1.488 -6.742 7.810 73 HB2 GLU 13 1HB GLU 13 0.239 -6.618 9.787 74 HB3 GLU 13 2HB GLU 13 -0.869 -7.741 10.562 75 HG2 GLU 13 1HG GLU 13 -0.633 -8.995 8.244 76 HG3 GLU 13 2HG GLU 13 0.903 -8.131 8.221 77 H VAL 14 H VAL 14 -3.372 -7.585 7.184 78 HA VAL 14 HA VAL 14 -5.229 -8.586 9.234 79 HB VAL 14 HB VAL 14 -5.770 -7.986 6.322 80 HG11 VAL 14 1HG1 VAL 14 -7.677 -9.095 6.554 81 HG12 VAL 14 2HG1 VAL 14 -7.185 -9.582 8.177 82 HG13 VAL 14 3HG1 VAL 14 -8.111 -8.099 7.943 83 HG21 VAL 14 1HG2 VAL 14 -5.612 -5.874 7.161 84 HG22 VAL 14 2HG2 VAL 14 -7.284 -6.220 7.603 85 HG23 VAL 14 3HG2 VAL 14 -6.004 -6.378 8.806 86 H SER 15 H SER 15 -4.850 -10.671 9.646 87 HA SER 15 HA SER 15 -3.889 -12.462 7.586 88 HB2 SER 15 1HB SER 15 -2.959 -12.731 9.799 89 HB3 SER 15 2HB SER 15 -4.567 -12.903 10.502 90 HG SER 15 HG SER 15 -3.263 -14.887 10.009 91 H VAL 16 H VAL 16 -5.056 -13.903 6.464 92 HA VAL 16 HA VAL 16 -7.742 -14.620 7.348 93 HB VAL 16 HB VAL 16 -8.595 -14.225 4.983 94 HG11 VAL 16 1HG1 VAL 16 -9.620 -12.455 5.860 95 HG12 VAL 16 2HG1 VAL 16 -8.515 -12.583 7.230 96 HG13 VAL 16 3HG1 VAL 16 -8.125 -11.520 5.877 97 HG21 VAL 16 1HG2 VAL 16 -7.342 -13.220 3.428 98 HG22 VAL 16 2HG2 VAL 16 -6.729 -12.022 4.568 99 HG23 VAL 16 3HG2 VAL 16 -5.969 -13.610 4.463 100 H LEU 17 H LEU 17 -8.606 -16.480 6.261 101 HA LEU 17 HA LEU 17 -6.614 -18.042 4.762 102 HB2 LEU 17 1HB LEU 17 -7.008 -18.641 7.263 103 HB3 LEU 17 2HB LEU 17 -8.507 -19.354 6.670 104 HG LEU 17 HG LEU 17 -5.803 -20.133 5.602 105 HD11 LEU 17 1HD1 LEU 17 -7.140 -20.889 8.113 106 HD12 LEU 17 2HD1 LEU 17 -5.434 -20.943 7.670 107 HD13 LEU 17 3HD1 LEU 17 -6.524 -22.224 7.138 108 HD21 LEU 17 1HD2 LEU 17 -8.602 -21.124 5.321 109 HD22 LEU 17 2HD2 LEU 17 -7.262 -22.265 5.202 110 HD23 LEU 17 3HD2 LEU 17 -7.358 -20.897 4.092 111 H GLY 18 H GLY 18 -7.478 -18.011 2.763 112 HA2 GLY 18 1HA GLY 18 -8.960 -19.304 1.325 113 HA3 GLY 18 2HA GLY 18 -10.238 -19.024 2.498 114 H PHE 19 H PHE 19 -11.014 -18.460 0.096 115 HA PHE 19 HA PHE 19 -10.369 -15.765 -0.705 116 HB2 PHE 19 1HB PHE 19 -10.933 -17.611 -2.320 117 HB3 PHE 19 2HB PHE 19 -12.594 -17.529 -1.740 118 HD1 PHE 19 2HD PHE 19 -13.710 -15.174 -1.855 119 HD2 PHE 19 1HD PHE 19 -10.302 -16.334 -4.127 120 HE1 PHE 19 2HE PHE 19 -14.187 -13.386 -3.476 121 HE2 PHE 19 1HE PHE 19 -10.773 -14.547 -5.751 122 HZ PHE 19 HZ PHE 19 -12.718 -13.071 -5.427 123 H GLU 20 H GLU 20 -13.475 -17.330 0.098 124 HA GLU 20 HA GLU 20 -15.157 -15.279 0.333 125 HB2 GLU 20 1HB GLU 20 -16.082 -16.441 2.447 126 HB3 GLU 20 2HB GLU 20 -16.050 -17.344 0.939 127 HG2 GLU 20 1HG GLU 20 -14.021 -18.481 1.640 128 HG3 GLU 20 2HG GLU 20 -14.004 -17.549 3.137 129 H GLU 21 H GLU 21 -12.755 -16.107 2.811 130 HA GLU 21 HA GLU 21 -13.459 -13.947 4.535 131 HB2 GLU 21 1HB GLU 21 -11.105 -15.818 4.401 132 HB3 GLU 21 2HB GLU 21 -11.168 -14.501 5.564 133 HG2 GLU 21 1HG GLU 21 -13.457 -16.398 5.390 134 HG3 GLU 21 2HG GLU 21 -11.977 -16.896 6.209 135 H PHE 22 H PHE 22 -10.914 -14.464 2.129 136 HA PHE 22 HA PHE 22 -9.487 -12.094 2.556 137 HB2 PHE 22 1HB PHE 22 -8.385 -13.658 1.219 138 HB3 PHE 22 2HB PHE 22 -9.799 -13.934 0.207 139 HD1 PHE 22 2HD PHE 22 -7.814 -10.923 1.176 140 HD2 PHE 22 1HD PHE 22 -9.446 -13.295 -1.959 141 HE1 PHE 22 2HE PHE 22 -6.933 -9.332 -0.481 142 HE2 PHE 22 1HE PHE 22 -8.567 -11.708 -3.622 143 HZ PHE 22 HZ PHE 22 -7.310 -9.723 -2.883 144 H ASP 23 H ASP 23 -11.959 -12.783 0.079 145 HA ASP 23 HA ASP 23 -12.168 -10.395 -1.178 146 HB2 ASP 23 1HB ASP 23 -13.590 -12.546 -1.440 147 HB3 ASP 23 2HB ASP 23 -14.677 -11.786 -0.281 148 H LYS 24 H LYS 24 -13.916 -11.222 1.816 149 HA LYS 24 HA LYS 24 -15.161 -8.780 2.237 150 HB2 LYS 24 1HB LYS 24 -15.327 -11.052 3.524 151 HB3 LYS 24 2HB LYS 24 -14.080 -10.353 4.548 152 HG2 LYS 24 1HG LYS 24 -15.948 -9.722 5.690 153 HG3 LYS 24 2HG LYS 24 -15.742 -8.322 4.635 154 HD2 LYS 24 1HD LYS 24 -17.330 -9.394 3.032 155 HD3 LYS 24 2HD LYS 24 -17.621 -10.648 4.240 156 HE2 LYS 24 1HE LYS 24 -19.365 -9.143 4.582 157 HE3 LYS 24 2HE LYS 24 -18.190 -8.700 5.819 158 HZ1 LYS 24 1HZ LYS 24 -19.223 -6.830 4.486 159 HZ2 LYS 24 2HZ LYS 24 -18.271 -7.350 3.188 160 HZ3 LYS 24 3HZ LYS 24 -17.537 -6.821 4.618 161 H ALA 25 H ALA 25 -12.103 -9.888 3.709 162 HA ALA 25 HA ALA 25 -11.387 -7.591 5.034 163 HB1 ALA 25 1HB ALA 25 -10.215 -9.958 4.737 164 HB2 ALA 25 2HB ALA 25 -9.212 -9.028 3.623 165 HB3 ALA 25 3HB ALA 25 -9.340 -8.538 5.312 166 H VAL 26 H VAL 26 -11.413 -8.176 1.624 167 HA VAL 26 HA VAL 26 -9.735 -5.892 1.005 168 HB VAL 26 HB VAL 26 -11.293 -7.769 -0.775 169 HG11 VAL 26 1HG1 VAL 26 -11.168 -5.606 -1.845 170 HG12 VAL 26 2HG1 VAL 26 -9.437 -5.510 -1.517 171 HG13 VAL 26 3HG1 VAL 26 -10.058 -6.722 -2.639 172 HG21 VAL 26 1HG2 VAL 26 -8.359 -7.503 -0.140 173 HG22 VAL 26 2HG2 VAL 26 -9.418 -8.861 0.242 174 HG23 VAL 26 3HG2 VAL 26 -9.004 -8.510 -1.436 175 H LYS 27 H LYS 27 -13.140 -6.825 0.567 176 HA LYS 27 HA LYS 27 -13.946 -4.341 -0.538 177 HB2 LYS 27 1HB LYS 27 -15.511 -6.556 0.789 178 HB3 LYS 27 2HB LYS 27 -16.263 -5.153 0.041 179 HG2 LYS 27 1HG LYS 27 -14.872 -5.875 -2.044 180 HG3 LYS 27 2HG LYS 27 -14.831 -7.439 -1.227 181 HD2 LYS 27 1HD LYS 27 -17.339 -5.888 -1.870 182 HD3 LYS 27 2HD LYS 27 -16.709 -7.232 -2.824 183 HE2 LYS 27 1HE LYS 27 -17.203 -7.598 0.098 184 HE3 LYS 27 2HE LYS 27 -18.562 -7.638 -1.024 185 HZ1 LYS 27 1HZ LYS 27 -17.979 -9.645 -1.752 186 HZ2 LYS 27 2HZ LYS 27 -16.972 -9.741 -0.397 187 HZ3 LYS 27 3HZ LYS 27 -16.342 -9.239 -1.884 188 H GLU 28 H GLU 28 -12.887 -5.046 2.505 189 HA GLU 28 HA GLU 28 -14.672 -3.162 3.856 190 HB2 GLU 28 1HB GLU 28 -12.730 -5.240 4.773 191 HB3 GLU 28 2HB GLU 28 -13.110 -3.903 5.849 192 HG2 GLU 28 1HG GLU 28 -15.551 -4.502 5.480 193 HG3 GLU 28 2HG GLU 28 -14.957 -5.998 4.761 194 H HIS 29 H HIS 29 -11.372 -3.529 2.770 195 HA HIS 29 HA HIS 29 -10.728 -0.866 3.847 196 HB2 HIS 29 1HB HIS 29 -8.758 -2.920 2.837 197 HB3 HIS 29 2HB HIS 29 -8.414 -1.471 3.777 198 HD1 HIS 29 1HD HIS 29 -10.242 -1.708 6.128 199 HD2 HIS 29 2HD HIS 29 -8.274 -4.987 4.504 200 HE1 HIS 29 1HE HIS 29 -10.153 -3.418 7.969 201 HE2 HIS 29 2HE HIS 29 -8.882 -5.360 6.990 202 H GLU 30 H GLU 30 -12.241 -1.488 1.375 203 HA GLU 30 HA GLU 30 -10.752 -1.199 -0.944 204 HB2 GLU 30 1HB GLU 30 -13.336 0.270 -0.746 205 HB3 GLU 30 2HB GLU 30 -12.740 -0.784 -2.020 206 HG2 GLU 30 1HG GLU 30 -13.007 -2.625 -0.158 207 HG3 GLU 30 2HG GLU 30 -14.159 -1.463 0.497 208 H SER 31 H SER 31 -12.456 1.449 0.738 209 HA SER 31 HA SER 31 -11.685 3.634 -0.560 210 HB2 SER 31 1HB SER 31 -11.335 4.739 1.764 211 HB3 SER 31 2HB SER 31 -12.910 4.035 1.396 212 HG SER 31 HG SER 31 -12.017 2.082 2.457 213 H LYS 32 H LYS 32 -9.576 1.968 1.768 214 HA LYS 32 HA LYS 32 -7.312 3.590 0.876 215 HB2 LYS 32 1HB LYS 32 -7.464 1.550 3.102 216 HB3 LYS 32 2HB LYS 32 -6.111 2.624 2.773 217 HG2 LYS 32 1HG LYS 32 -7.090 3.837 4.403 218 HG3 LYS 32 2HG LYS 32 -8.035 4.453 3.045 219 HD2 LYS 32 1HD LYS 32 -9.708 2.628 3.538 220 HD3 LYS 32 2HD LYS 32 -8.815 2.326 5.031 221 HE2 LYS 32 1HE LYS 32 -10.611 3.771 5.588 222 HE3 LYS 32 2HE LYS 32 -9.149 4.755 5.593 223 HZ1 LYS 32 1HZ LYS 32 -10.614 6.056 4.419 224 HZ2 LYS 32 2HZ LYS 32 -11.368 4.745 3.662 225 HZ3 LYS 32 3HZ LYS 32 -9.830 5.240 3.161 226 H THR 33 H THR 33 -5.205 2.424 0.570 227 HA THR 33 HA THR 33 -5.405 0.589 -1.540 228 HB THR 33 HB THR 33 -2.959 0.927 0.194 229 HG1 THR 33 1HG THR 33 -2.502 2.634 -1.436 230 HG21 THR 33 1HG2 THR 33 -2.236 0.825 -2.474 231 HG22 THR 33 2HG2 THR 33 -3.550 -0.345 -2.354 232 HG23 THR 33 3HG2 THR 33 -2.133 -0.502 -1.317 233 H ILE 34 H ILE 34 -4.816 -1.620 -1.669 234 HA ILE 34 HA ILE 34 -4.794 -3.088 0.876 235 HB ILE 34 HB ILE 34 -6.539 -3.708 -1.507 236 HG12 ILE 34 1HG1 ILE 34 -7.431 -3.463 1.349 237 HG13 ILE 34 2HG1 ILE 34 -7.197 -2.018 0.371 238 HG21 ILE 34 1HG2 ILE 34 -7.034 -5.482 0.643 239 HG22 ILE 34 2HG2 ILE 34 -6.449 -5.859 -0.977 240 HG23 ILE 34 3HG2 ILE 34 -5.301 -5.507 0.315 241 HD11 ILE 34 1HD1 ILE 34 -8.730 -3.298 -1.321 242 HD12 ILE 34 2HD1 ILE 34 -9.237 -4.163 0.130 243 HD13 ILE 34 3HD1 ILE 34 -9.418 -2.412 0.039 244 H PHE 35 H PHE 35 -3.429 -4.793 0.956 245 HA PHE 35 HA PHE 35 -2.114 -5.608 -1.549 246 HB2 PHE 35 1HB PHE 35 -0.864 -4.978 1.121 247 HB3 PHE 35 2HB PHE 35 -0.040 -5.956 -0.089 248 HD1 PHE 35 2HD PHE 35 0.735 -4.969 -2.170 249 HD2 PHE 35 1HD PHE 35 -1.172 -2.614 0.819 250 HE1 PHE 35 2HE PHE 35 1.556 -2.924 -3.263 251 HE2 PHE 35 1HE PHE 35 -0.355 -0.565 -0.270 252 HZ PHE 35 HZ PHE 35 1.012 -0.718 -2.312 253 H ALA 36 H ALA 36 -2.674 -7.640 -1.949 254 HA ALA 36 HA ALA 36 -3.226 -9.460 0.273 255 HB1 ALA 36 1HB ALA 36 -3.863 -10.946 -1.830 256 HB2 ALA 36 2HB ALA 36 -4.963 -9.734 -1.172 257 HB3 ALA 36 3HB ALA 36 -3.987 -9.360 -2.593 258 H TYR 37 H TYR 37 -1.874 -11.033 0.862 259 HA TYR 37 HA TYR 37 0.444 -11.580 -0.869 260 HB2 TYR 37 1HB TYR 37 1.011 -10.569 1.306 261 HB3 TYR 37 2HB TYR 37 0.201 -11.896 2.131 262 HD1 TYR 37 1HD TYR 37 2.654 -11.722 -0.691 263 HD2 TYR 37 2HD TYR 37 1.731 -13.275 3.161 264 HE1 TYR 37 1HE TYR 37 4.751 -13.007 -0.713 265 HE2 TYR 37 2HE TYR 37 3.826 -14.563 3.150 266 HH TYR 37 HH TYR 37 5.600 -15.164 0.444 267 H PHE 38 H PHE 38 -0.891 -13.128 -2.030 268 HA PHE 38 HA PHE 38 -2.000 -15.406 -0.755 269 HB2 PHE 38 1HB PHE 38 -1.111 -15.280 -3.634 270 HB3 PHE 38 2HB PHE 38 -2.405 -16.250 -2.941 271 HD1 PHE 38 1HD PHE 38 -4.280 -14.801 -1.724 272 HD2 PHE 38 2HD PHE 38 -1.699 -13.404 -4.808 273 HE1 PHE 38 1HE PHE 38 -5.901 -13.034 -2.276 274 HE2 PHE 38 2HE PHE 38 -3.316 -11.635 -5.364 275 HZ PHE 38 HZ PHE 38 -5.419 -11.447 -4.097 276 H SER 39 H SER 39 -0.802 -16.814 0.343 277 HA SER 39 HA SER 39 1.550 -17.963 -0.975 278 HB2 SER 39 1HB SER 39 2.891 -17.833 1.028 279 HB3 SER 39 2HB SER 39 2.296 -16.214 0.661 280 HG SER 39 HG SER 39 2.086 -16.838 2.897 281 H GLY 40 H GLY 40 2.318 -19.953 0.323 282 HA2 GLY 40 1HA GLY 40 0.165 -21.787 0.436 283 HA3 GLY 40 2HA GLY 40 1.818 -22.109 0.939 284 H SER 41 H SER 41 -0.675 -22.967 2.181 285 HA SER 41 HA SER 41 -1.369 -21.497 4.438 286 HB2 SER 41 1HB SER 41 -2.624 -23.470 3.630 287 HB3 SER 41 2HB SER 41 -1.307 -24.513 4.166 288 HG SER 41 HG SER 41 -1.874 -24.216 6.205 289 H LYS 42 H LYS 42 -0.910 -22.097 6.728 290 HA LYS 42 HA LYS 42 1.976 -22.299 7.095 291 HB2 LYS 42 1HB LYS 42 -0.292 -21.457 8.890 292 HB3 LYS 42 2HB LYS 42 1.332 -21.725 9.510 293 HG2 LYS 42 1HG LYS 42 2.141 -20.044 7.830 294 HG3 LYS 42 2HG LYS 42 0.447 -19.678 7.495 295 HD2 LYS 42 1HD LYS 42 1.569 -19.584 10.280 296 HD3 LYS 42 2HD LYS 42 1.668 -18.199 9.191 297 HE2 LYS 42 1HE LYS 42 -0.596 -17.840 9.223 298 HE3 LYS 42 2HE LYS 42 -0.968 -19.530 9.563 299 HZ1 LYS 42 1HZ LYS 42 -0.794 -19.216 11.769 300 HZ2 LYS 42 2HZ LYS 42 -1.112 -17.600 11.383 301 HZ3 LYS 42 3HZ LYS 42 0.480 -18.110 11.640 302 H ASP 43 H ASP 43 2.798 -24.265 7.346 303 HA ASP 43 HA ASP 43 1.426 -26.597 7.922 304 HB2 ASP 43 1HB ASP 43 3.890 -26.180 7.117 305 HB3 ASP 43 2HB ASP 43 4.261 -26.283 8.836 306 H THR 44 H THR 44 2.408 -27.974 9.965 307 HA THR 44 HA THR 44 0.922 -27.139 12.171 308 HB THR 44 HB THR 44 2.102 -28.883 13.452 309 HG1 THR 44 1HG THR 44 3.867 -28.684 11.278 310 HG21 THR 44 1HG2 THR 44 0.393 -29.897 12.316 311 HG22 THR 44 2HG2 THR 44 1.760 -30.744 11.592 312 HG23 THR 44 3HG2 THR 44 1.002 -29.401 10.737 313 H GLU 45 H GLU 45 4.308 -26.631 11.368 314 HA GLU 45 HA GLU 45 5.058 -25.581 13.906 315 HB2 GLU 45 1HB GLU 45 6.508 -26.496 11.896 316 HB3 GLU 45 2HB GLU 45 6.497 -24.808 11.406 317 HG2 GLU 45 1HG GLU 45 7.736 -24.128 13.212 318 HG3 GLU 45 2HG GLU 45 7.238 -25.497 14.205 319 H GLY 46 H GLY 46 3.480 -24.274 11.129 320 HA2 GLY 46 1HA GLY 46 2.243 -22.246 11.234 321 HA3 GLY 46 2HA GLY 46 3.341 -21.674 12.481 322 H LYS 47 H LYS 47 4.295 -23.125 9.418 323 HA LYS 47 HA LYS 47 5.069 -20.505 8.377 324 HB2 LYS 47 1HB LYS 47 7.337 -21.133 7.960 325 HB3 LYS 47 2HB LYS 47 7.006 -21.463 9.656 326 HG2 LYS 47 1HG LYS 47 8.088 -23.380 9.103 327 HG3 LYS 47 2HG LYS 47 6.435 -23.863 8.712 328 HD2 LYS 47 1HD LYS 47 6.786 -23.469 6.390 329 HD3 LYS 47 2HD LYS 47 8.333 -22.676 6.695 330 HE2 LYS 47 1HE LYS 47 9.296 -24.762 7.446 331 HE3 LYS 47 2HE LYS 47 7.738 -25.573 7.288 332 HZ1 LYS 47 1HZ LYS 47 9.717 -25.187 5.331 333 HZ2 LYS 47 2HZ LYS 47 8.315 -24.380 4.838 334 HZ3 LYS 47 3HZ LYS 47 8.257 -26.032 5.201 335 H SER 48 H SER 48 5.175 -20.388 6.147 336 HA SER 48 HA SER 48 3.571 -22.157 4.684 337 HB2 SER 48 1HB SER 48 5.604 -20.127 3.733 338 HB3 SER 48 2HB SER 48 4.461 -20.955 2.675 339 HG SER 48 HG SER 48 3.595 -19.512 4.942 340 H TRP 49 H TRP 49 3.967 -24.083 3.833 341 HA TRP 49 HA TRP 49 6.241 -25.567 4.190 342 HB2 TRP 49 1HB TRP 49 5.393 -26.824 2.053 343 HB3 TRP 49 2HB TRP 49 4.415 -26.823 3.517 344 HD1 TRP 49 HD TRP 49 2.184 -25.306 3.500 345 HE1 TRP 49 1HE TRP 49 0.747 -24.425 1.555 346 HE3 TRP 49 3HE TRP 49 5.505 -25.975 -0.328 347 HZ2 TRP 49 2HZ TRP 49 0.990 -24.063 -1.234 348 HZ3 TRP 49 3HZ TRP 49 4.825 -25.336 -2.605 349 HH2 TRP 49 HH TRP 49 2.614 -24.400 -3.046 350 H CYS 50 H CYS 50 5.692 -23.078 1.871 351 HA CYS 50 HA CYS 50 7.776 -23.863 0.062 352 HB2 CYS 50 1HB CYS 50 5.931 -21.544 0.336 353 HB3 CYS 50 2HB CYS 50 7.414 -21.292 -0.576 354 HG CYS 50 HG CYS 50 4.640 -22.910 -1.443 355 HA PRO 51 HA PRO 51 11.180 -22.282 2.390 356 HB2 PRO 51 1HB PRO 51 13.012 -22.263 0.387 357 HB3 PRO 51 2HB PRO 51 12.475 -23.747 1.183 358 HG2 PRO 51 1HG PRO 51 11.598 -22.575 -1.428 359 HG3 PRO 51 2HG PRO 51 11.961 -24.263 -1.025 360 HD2 PRO 51 1HD PRO 51 9.430 -23.312 -1.170 361 HD3 PRO 51 2HD PRO 51 9.901 -24.604 -0.048 362 H ASP 52 H ASP 52 10.611 -20.902 -0.845 363 HA ASP 52 HA ASP 52 12.010 -18.505 -0.437 364 HB2 ASP 52 1HB ASP 52 9.817 -19.331 -2.317 365 HB3 ASP 52 2HB ASP 52 10.383 -17.663 -2.283 366 H CYS 53 H CYS 53 8.497 -19.107 -0.273 367 HA CYS 53 HA CYS 53 7.544 -16.683 0.447 368 HB2 CYS 53 1HB CYS 53 5.965 -18.414 0.241 369 HB3 CYS 53 2HB CYS 53 6.785 -19.424 1.426 370 HG CYS 53 HG CYS 53 4.860 -16.667 2.033 371 H VAL 54 H VAL 54 8.837 -19.070 2.757 372 HA VAL 54 HA VAL 54 8.582 -17.571 5.076 373 HB VAL 54 HB VAL 54 10.793 -19.520 4.409 374 HG11 VAL 54 1HG1 VAL 54 11.094 -19.773 6.779 375 HG12 VAL 54 2HG1 VAL 54 11.232 -18.061 6.373 376 HG13 VAL 54 3HG1 VAL 54 9.752 -18.678 7.110 377 HG21 VAL 54 1HG2 VAL 54 8.234 -20.158 4.301 378 HG22 VAL 54 2HG2 VAL 54 9.423 -21.250 5.013 379 HG23 VAL 54 3HG2 VAL 54 8.420 -20.238 6.053 380 H GLU 55 H GLU 55 11.167 -17.562 2.668 381 HA GLU 55 HA GLU 55 12.742 -15.652 4.161 382 HB2 GLU 55 1HB GLU 55 13.779 -17.421 2.748 383 HB3 GLU 55 2HB GLU 55 13.113 -16.631 1.326 384 HG2 GLU 55 1HG GLU 55 14.451 -14.681 1.706 385 HG3 GLU 55 2HG GLU 55 15.016 -15.319 3.249 386 H ALA 56 H ALA 56 10.102 -15.504 2.088 387 HA ALA 56 HA ALA 56 10.774 -12.864 1.033 388 HB1 ALA 56 1HB ALA 56 9.805 -14.344 -0.568 389 HB2 ALA 56 2HB ALA 56 8.456 -14.714 0.506 390 HB3 ALA 56 3HB ALA 56 8.609 -13.103 -0.194 391 H GLU 57 H GLU 57 8.760 -14.398 3.425 392 HA GLU 57 HA GLU 57 6.835 -12.475 3.897 393 HB2 GLU 57 1HB GLU 57 7.491 -14.817 5.075 394 HB3 GLU 57 2HB GLU 57 8.055 -13.692 6.303 395 HG2 GLU 57 1HG GLU 57 5.814 -12.655 6.330 396 HG3 GLU 57 2HG GLU 57 5.268 -13.878 5.183 397 HA PRO 58 HA PRO 58 9.933 -10.273 6.907 398 HB2 PRO 58 1HB PRO 58 12.558 -10.897 6.608 399 HB3 PRO 58 2HB PRO 58 11.486 -11.763 7.714 400 HG2 PRO 58 1HG PRO 58 12.381 -12.523 4.960 401 HG3 PRO 58 2HG PRO 58 12.239 -13.535 6.410 402 HD2 PRO 58 1HD PRO 58 10.369 -13.525 4.451 403 HD3 PRO 58 2HD PRO 58 9.962 -13.796 6.158 404 H VAL 59 H VAL 59 10.411 -10.893 3.577 405 HA VAL 59 HA VAL 59 12.001 -8.492 3.134 406 HB VAL 59 HB VAL 59 10.897 -10.458 1.122 407 HG11 VAL 59 1HG1 VAL 59 13.088 -9.250 0.006 408 HG12 VAL 59 2HG1 VAL 59 11.407 -8.825 -0.321 409 HG13 VAL 59 3HG1 VAL 59 12.327 -7.923 0.883 410 HG21 VAL 59 1HG2 VAL 59 13.771 -10.271 1.928 411 HG22 VAL 59 2HG2 VAL 59 12.642 -11.228 2.887 412 HG23 VAL 59 3HG2 VAL 59 12.902 -11.615 1.186 413 H ILE 60 H ILE 60 8.717 -9.563 2.975 414 HA ILE 60 HA ILE 60 7.883 -7.259 1.395 415 HB ILE 60 HB ILE 60 6.267 -9.533 2.553 416 HG12 ILE 60 1HG1 ILE 60 7.240 -8.933 -0.246 417 HG13 ILE 60 2HG1 ILE 60 7.704 -10.295 0.767 418 HG21 ILE 60 1HG2 ILE 60 5.050 -7.349 2.303 419 HG22 ILE 60 2HG2 ILE 60 5.354 -7.462 0.570 420 HG23 ILE 60 3HG2 ILE 60 4.382 -8.693 1.377 421 HD11 ILE 60 1HD1 ILE 60 4.902 -9.829 -0.211 422 HD12 ILE 60 2HD1 ILE 60 6.087 -10.831 -1.049 423 HD13 ILE 60 3HD1 ILE 60 5.548 -11.271 0.571 424 H ARG 61 H ARG 61 7.740 -8.487 4.679 425 HA ARG 61 HA ARG 61 5.895 -6.555 5.658 426 HB2 ARG 61 1HB ARG 61 6.727 -8.852 6.666 427 HB3 ARG 61 2HB ARG 61 7.923 -7.825 7.446 428 HG2 ARG 61 1HG ARG 61 6.379 -6.794 8.774 429 HG3 ARG 61 2HG ARG 61 5.063 -7.042 7.625 430 HD2 ARG 61 1HD ARG 61 4.666 -9.191 8.337 431 HD3 ARG 61 2HD ARG 61 6.315 -9.415 8.920 432 HE ARG 61 HE ARG 61 4.109 -8.539 10.441 433 HH11 ARG 61 2HH1 ARG 61 7.500 -7.908 9.968 434 HH12 ARG 61 1HH1 ARG 61 7.751 -7.334 11.583 435 HH21 ARG 61 2HH2 ARG 61 4.428 -7.785 12.570 436 HH22 ARG 61 1HH2 ARG 61 6.004 -7.265 13.062 437 H GLU 62 H GLU 62 9.372 -6.653 5.275 438 HA GLU 62 HA GLU 62 9.935 -4.390 6.911 439 HB2 GLU 62 1HB GLU 62 11.469 -5.937 4.849 440 HB3 GLU 62 2HB GLU 62 12.105 -4.417 5.461 441 HG2 GLU 62 1HG GLU 62 11.819 -5.397 7.781 442 HG3 GLU 62 2HG GLU 62 11.555 -6.945 6.979 443 H GLY 63 H GLY 63 9.442 -4.856 3.432 444 HA2 GLY 63 1HA GLY 63 9.984 -2.159 2.713 445 HA3 GLY 63 2HA GLY 63 9.148 -3.346 1.723 446 H LEU 64 H LEU 64 7.038 -3.876 3.599 447 HA LEU 64 HA LEU 64 5.130 -2.045 2.787 448 HB2 LEU 64 1HB LEU 64 5.292 -4.069 4.954 449 HB3 LEU 64 2HB LEU 64 3.972 -2.903 5.016 450 HG LEU 64 HG LEU 64 4.450 -4.481 2.521 451 HD11 LEU 64 1HD1 LEU 64 2.523 -5.568 4.471 452 HD12 LEU 64 2HD1 LEU 64 4.229 -5.835 4.826 453 HD13 LEU 64 3HD1 LEU 64 3.548 -6.397 3.299 454 HD21 LEU 64 1HD2 LEU 64 2.340 -3.850 1.958 455 HD22 LEU 64 2HD2 LEU 64 2.758 -2.491 3.002 456 HD23 LEU 64 3HD2 LEU 64 1.781 -3.819 3.631 457 H LYS 65 H LYS 65 7.415 -1.830 5.371 458 HA LYS 65 HA LYS 65 6.074 0.196 6.868 459 HB2 LYS 65 1HB LYS 65 8.798 -1.016 6.867 460 HB3 LYS 65 2HB LYS 65 8.586 0.536 7.666 461 HG2 LYS 65 1HG LYS 65 6.658 -1.620 8.317 462 HG3 LYS 65 2HG LYS 65 8.301 -1.763 8.944 463 HD2 LYS 65 1HD LYS 65 6.758 0.788 9.252 464 HD3 LYS 65 2HD LYS 65 6.518 -0.554 10.374 465 HE2 LYS 65 1HE LYS 65 8.765 -0.481 11.093 466 HE3 LYS 65 2HE LYS 65 9.241 0.557 9.750 467 HZ1 LYS 65 1HZ LYS 65 8.277 2.399 10.720 468 HZ2 LYS 65 2HZ LYS 65 8.905 1.589 12.066 469 HZ3 LYS 65 3HZ LYS 65 7.253 1.490 11.715 470 H HIS 66 H HIS 66 8.358 0.174 4.210 471 HA HIS 66 HA HIS 66 8.994 2.949 4.327 472 HB2 HIS 66 1HB HIS 66 9.240 0.953 2.068 473 HB3 HIS 66 2HB HIS 66 9.905 2.583 2.036 474 HD1 HIS 66 1HD HIS 66 12.335 2.486 2.417 475 HD2 HIS 66 2HD HIS 66 10.312 -0.330 4.706 476 HE1 HIS 66 1HE HIS 66 14.106 1.322 3.770 477 HE2 HIS 66 2HE HIS 66 12.869 -0.435 5.084 478 H VAL 67 H VAL 67 6.291 1.198 3.210 479 HA VAL 67 HA VAL 67 5.315 2.566 1.059 480 HB VAL 67 HB VAL 67 4.240 0.645 2.426 481 HG11 VAL 67 1HG1 VAL 67 4.034 2.073 4.485 482 HG12 VAL 67 2HG1 VAL 67 2.748 2.953 3.657 483 HG13 VAL 67 3HG1 VAL 67 2.560 1.233 4.001 484 HG21 VAL 67 1HG2 VAL 67 3.299 2.387 0.466 485 HG22 VAL 67 2HG2 VAL 67 2.638 0.808 0.889 486 HG23 VAL 67 3HG2 VAL 67 1.985 2.265 1.637 487 H THR 68 H THR 68 4.005 4.385 0.738 488 HA THR 68 HA THR 68 3.991 6.334 2.948 489 HB THR 68 HB THR 68 4.544 8.119 1.501 490 HG1 THR 68 1HG THR 68 4.315 6.288 -0.676 491 HG21 THR 68 1HG2 THR 68 6.505 6.689 0.100 492 HG22 THR 68 2HG2 THR 68 6.235 5.788 1.592 493 HG23 THR 68 3HG2 THR 68 6.678 7.494 1.659 494 H GLU 69 H GLU 69 1.882 4.525 2.199 495 HA GLU 69 HA GLU 69 -0.222 6.478 1.813 496 HB2 GLU 69 1HB GLU 69 -1.306 5.192 0.000 497 HB3 GLU 69 2HB GLU 69 0.239 5.874 -0.486 498 HG2 GLU 69 1HG GLU 69 1.210 3.577 0.137 499 HG3 GLU 69 2HG GLU 69 -0.462 3.023 0.078 500 H ASP 70 H ASP 70 -1.603 6.076 3.396 501 HA ASP 70 HA ASP 70 -1.667 3.957 5.101 502 HB2 ASP 70 1HB ASP 70 -4.077 4.557 5.528 503 HB3 ASP 70 2HB ASP 70 -2.951 5.910 5.605 504 H CYS 71 H CYS 71 -1.505 1.917 4.303 505 HA CYS 71 HA CYS 71 -3.730 0.976 2.616 506 HB2 CYS 71 1HB CYS 71 -2.274 -0.557 1.528 507 HB3 CYS 71 2HB CYS 71 -1.436 0.990 1.539 508 HG CYS 71 HG CYS 71 -0.191 -1.787 2.369 509 H VAL 72 H VAL 72 -3.941 -1.517 2.813 510 HA VAL 72 HA VAL 72 -3.631 -2.316 5.630 511 HB VAL 72 HB VAL 72 -6.092 -2.760 3.932 512 HG11 VAL 72 1HG1 VAL 72 -6.304 -4.581 5.227 513 HG12 VAL 72 2HG1 VAL 72 -5.112 -4.011 6.397 514 HG13 VAL 72 3HG1 VAL 72 -6.776 -3.431 6.477 515 HG21 VAL 72 1HG2 VAL 72 -6.901 -1.461 6.185 516 HG22 VAL 72 2HG2 VAL 72 -5.331 -0.713 5.888 517 HG23 VAL 72 3HG2 VAL 72 -6.573 -0.683 4.637 518 H PHE 73 H PHE 73 -1.971 -3.736 5.292 519 HA PHE 73 HA PHE 73 -1.728 -5.516 3.144 520 HB2 PHE 73 1HB PHE 73 0.094 -4.879 4.749 521 HB3 PHE 73 2HB PHE 73 -0.658 -5.937 5.939 522 HD1 PHE 73 2HD PHE 73 0.099 -6.289 2.301 523 HD2 PHE 73 1HD PHE 73 0.592 -7.832 6.237 524 HE1 PHE 73 2HE PHE 73 1.355 -8.198 1.391 525 HE2 PHE 73 1HE PHE 73 1.850 -9.744 5.333 526 HZ PHE 73 HZ PHE 73 2.232 -9.930 2.907 527 H ILE 74 H ILE 74 -2.192 -7.708 2.921 528 HA ILE 74 HA ILE 74 -3.955 -8.909 4.936 529 HB ILE 74 HB ILE 74 -4.537 -8.954 1.973 530 HG12 ILE 74 1HG1 ILE 74 -5.871 -7.445 4.229 531 HG13 ILE 74 2HG1 ILE 74 -5.002 -6.747 2.866 532 HG21 ILE 74 1HG2 ILE 74 -5.163 -10.943 3.484 533 HG22 ILE 74 2HG2 ILE 74 -6.376 -9.855 4.158 534 HG23 ILE 74 3HG2 ILE 74 -6.408 -10.256 2.441 535 HD11 ILE 74 1HD1 ILE 74 -7.484 -8.408 2.554 536 HD12 ILE 74 2HD1 ILE 74 -7.500 -6.653 2.731 537 HD13 ILE 74 3HD1 ILE 74 -6.695 -7.392 1.348 538 H TYR 75 H TYR 75 -3.249 -10.853 5.490 539 HA TYR 75 HA TYR 75 -1.428 -12.266 3.674 540 HB2 TYR 75 1HB TYR 75 -0.768 -11.688 6.079 541 HB3 TYR 75 2HB TYR 75 -1.910 -12.933 6.574 542 HD1 TYR 75 1HD TYR 75 -1.573 -15.274 5.414 543 HD2 TYR 75 2HD TYR 75 1.438 -12.282 5.717 544 HE1 TYR 75 1HE TYR 75 0.158 -16.992 5.100 545 HE2 TYR 75 2HE TYR 75 3.177 -13.993 5.403 546 HH TYR 75 HH TYR 75 3.610 -16.160 5.182 547 H CYS 76 H CYS 76 -2.920 -13.253 2.315 548 HA CYS 76 HA CYS 76 -4.918 -15.017 3.511 549 HB2 CYS 76 1HB CYS 76 -5.735 -13.630 1.718 550 HB3 CYS 76 2HB CYS 76 -4.431 -14.151 0.657 551 HG CYS 76 HG CYS 76 -5.588 -16.249 -0.292 552 H GLN 77 H GLN 77 -4.786 -17.187 3.502 553 HA GLN 77 HA GLN 77 -2.353 -18.371 2.362 554 HB2 GLN 77 1HB GLN 77 -4.209 -19.333 4.542 555 HB3 GLN 77 2HB GLN 77 -2.881 -20.288 3.898 556 HG2 GLN 77 1HG GLN 77 -1.266 -18.878 4.796 557 HG3 GLN 77 2HG GLN 77 -2.409 -17.553 5.012 558 HE21 GLN 77 1HE2 GLN 77 -4.013 -17.766 6.677 559 HE22 GLN 77 2HE2 GLN 77 -3.680 -18.723 8.077 560 H VAL 78 H VAL 78 -2.634 -19.256 0.428 561 HA VAL 78 HA VAL 78 -5.014 -19.864 -0.825 562 HB VAL 78 HB VAL 78 -3.720 -21.289 -2.359 563 HG11 VAL 78 1HG1 VAL 78 -3.681 -18.767 -2.448 564 HG12 VAL 78 2HG1 VAL 78 -2.107 -18.848 -1.654 565 HG13 VAL 78 3HG1 VAL 78 -2.335 -19.583 -3.242 566 HG21 VAL 78 1HG2 VAL 78 -2.245 -22.482 -0.980 567 HG22 VAL 78 2HG2 VAL 78 -1.207 -21.397 -1.906 568 HG23 VAL 78 3HG2 VAL 78 -1.616 -21.013 -0.234 569 H GLY 79 H GLY 79 -2.845 -22.141 0.862 570 HA2 GLY 79 1HA GLY 79 -4.538 -23.614 2.307 571 HA3 GLY 79 2HA GLY 79 -4.861 -24.232 0.694 572 H ASP 80 H ASP 80 -4.138 -26.291 1.527 573 HA ASP 80 HA ASP 80 -1.577 -26.773 2.546 574 HB2 ASP 80 1HB ASP 80 -3.081 -28.735 0.822 575 HB3 ASP 80 2HB ASP 80 -1.997 -29.072 2.169 576 H LYS 81 H LYS 81 0.008 -28.281 1.304 577 HA LYS 81 HA LYS 81 1.215 -26.772 -0.724 578 HB2 LYS 81 1HB LYS 81 2.764 -28.118 0.276 579 HB3 LYS 81 2HB LYS 81 1.636 -29.452 0.475 580 HG2 LYS 81 1HG LYS 81 1.934 -30.164 -1.757 581 HG3 LYS 81 2HG LYS 81 2.777 -28.676 -2.194 582 HD2 LYS 81 1HD LYS 81 4.512 -29.365 -0.442 583 HD3 LYS 81 2HD LYS 81 3.749 -30.956 -0.495 584 HE2 LYS 81 1HE LYS 81 4.104 -30.901 -2.995 585 HE3 LYS 81 2HE LYS 81 5.106 -29.473 -2.738 586 HZ1 LYS 81 1HZ LYS 81 6.536 -31.337 -2.805 587 HZ2 LYS 81 2HZ LYS 81 5.582 -32.217 -1.721 588 HZ3 LYS 81 3HZ LYS 81 6.449 -30.868 -1.182 589 HA PRO 82 HA PRO 82 -0.420 -30.057 -3.866 590 HB2 PRO 82 1HB PRO 82 -2.283 -31.818 -2.973 591 HB3 PRO 82 2HB PRO 82 -0.545 -32.131 -2.885 592 HG2 PRO 82 1HG PRO 82 -2.404 -31.154 -0.751 593 HG3 PRO 82 2HG PRO 82 -1.113 -32.365 -0.642 594 HD2 PRO 82 1HD PRO 82 -0.794 -29.814 0.208 595 HD3 PRO 82 2HD PRO 82 0.541 -30.768 -0.469 596 H TYR 83 H TYR 83 -2.197 -28.178 -1.721 597 HA TYR 83 HA TYR 83 -4.693 -28.276 -3.196 598 HB2 TYR 83 1HB TYR 83 -4.912 -28.007 -0.830 599 HB3 TYR 83 2HB TYR 83 -3.773 -26.664 -0.813 600 HD1 TYR 83 2HD TYR 83 -4.457 -24.514 -2.016 601 HD2 TYR 83 1HD TYR 83 -7.209 -27.617 -1.066 602 HE1 TYR 83 2HE TYR 83 -6.321 -22.925 -2.248 603 HE2 TYR 83 1HE TYR 83 -9.080 -26.038 -1.298 604 HH TYR 83 HH TYR 83 -9.644 -23.870 -1.510 605 H TRP 84 H TRP 84 -1.886 -26.206 -2.878 606 HA TRP 84 HA TRP 84 -2.962 -23.964 -4.249 607 HB2 TRP 84 1HB TRP 84 -1.094 -23.440 -2.962 608 HB3 TRP 84 2HB TRP 84 -0.199 -24.858 -3.502 609 HD1 TRP 84 HD TRP 84 1.773 -24.196 -4.971 610 HE1 TRP 84 1HE TRP 84 2.262 -22.358 -6.705 611 HE3 TRP 84 3HE TRP 84 -2.707 -21.738 -4.832 612 HZ2 TRP 84 2HZ TRP 84 0.925 -20.157 -7.860 613 HZ3 TRP 84 3HZ TRP 84 -3.021 -19.775 -6.282 614 HH2 TRP 84 HH TRP 84 -1.241 -19.002 -7.764 615 H LYS 85 H LYS 85 -1.516 -26.950 -5.272 616 HA LYS 85 HA LYS 85 -1.053 -26.047 -7.982 617 HB2 LYS 85 1HB LYS 85 -0.807 -28.733 -6.631 618 HB3 LYS 85 2HB LYS 85 -0.531 -28.506 -8.353 619 HG2 LYS 85 1HG LYS 85 1.603 -28.345 -7.569 620 HG3 LYS 85 2HG LYS 85 1.123 -26.647 -7.518 621 HD2 LYS 85 1HD LYS 85 0.971 -26.619 -5.226 622 HD3 LYS 85 2HD LYS 85 0.629 -28.348 -5.121 623 HE2 LYS 85 1HE LYS 85 2.814 -28.040 -4.262 624 HE3 LYS 85 2HE LYS 85 3.004 -28.743 -5.867 625 HZ1 LYS 85 1HZ LYS 85 3.855 -26.182 -4.877 626 HZ2 LYS 85 2HZ LYS 85 3.041 -26.083 -6.357 627 HZ3 LYS 85 3HZ LYS 85 4.411 -27.065 -6.209 628 H ASP 86 H ASP 86 -3.789 -26.032 -6.776 629 HA ASP 86 HA ASP 86 -5.157 -27.932 -8.547 630 HB2 ASP 86 1HB ASP 86 -6.095 -26.358 -6.148 631 HB3 ASP 86 2HB ASP 86 -7.201 -27.227 -7.208 632 HA PRO 87 HA PRO 87 -5.801 -24.432 -11.254 633 HB2 PRO 87 1HB PRO 87 -7.058 -25.849 -13.199 634 HB3 PRO 87 2HB PRO 87 -5.304 -25.861 -12.983 635 HG2 PRO 87 1HG PRO 87 -7.337 -27.866 -12.084 636 HG3 PRO 87 2HG PRO 87 -5.748 -28.138 -12.823 637 HD2 PRO 87 1HD PRO 87 -6.175 -28.363 -10.158 638 HD3 PRO 87 2HD PRO 87 -4.629 -27.811 -10.834 639 H ASN 88 H ASN 88 -8.049 -26.310 -9.558 640 HA ASN 88 HA ASN 88 -10.361 -24.869 -10.620 641 HB2 ASN 88 1HB ASN 88 -11.689 -26.413 -9.207 642 HB3 ASN 88 2HB ASN 88 -10.641 -27.268 -10.335 643 HD21 ASN 88 1HD2 ASN 88 -9.537 -28.889 -9.526 644 HD22 ASN 88 2HD2 ASN 88 -9.104 -29.102 -7.867 645 H ASN 89 H ASN 89 -8.109 -23.892 -8.726 646 HA ASN 89 HA ASN 89 -9.583 -23.179 -6.341 647 HB2 ASN 89 1HB ASN 89 -6.784 -22.758 -7.319 648 HB3 ASN 89 2HB ASN 89 -7.398 -21.752 -6.010 649 HD21 ASN 89 1HD2 ASN 89 -5.288 -23.290 -5.482 650 HD22 ASN 89 2HD2 ASN 89 -5.727 -24.630 -4.483 651 H ASP 90 H ASP 90 -10.168 -21.083 -5.726 652 HA ASP 90 HA ASP 90 -11.137 -19.430 -7.812 653 HB2 ASP 90 1HB ASP 90 -10.829 -18.761 -4.877 654 HB3 ASP 90 2HB ASP 90 -11.861 -17.925 -6.034 655 H PHE 91 H PHE 91 -8.087 -19.705 -6.403 656 HA PHE 91 HA PHE 91 -7.275 -16.964 -6.649 657 HB2 PHE 91 1HB PHE 91 -5.629 -19.484 -6.339 658 HB3 PHE 91 2HB PHE 91 -5.004 -17.843 -6.213 659 HD1 PHE 91 2HD PHE 91 -6.210 -16.327 -4.446 660 HD2 PHE 91 1HD PHE 91 -6.266 -20.583 -4.425 661 HE1 PHE 91 2HE PHE 91 -6.751 -16.304 -2.047 662 HE2 PHE 91 1HE PHE 91 -6.809 -20.567 -2.025 663 HZ PHE 91 HZ PHE 91 -7.051 -18.426 -0.832 664 H ARG 92 H ARG 92 -6.995 -19.880 -8.608 665 HA ARG 92 HA ARG 92 -5.553 -18.401 -10.677 666 HB2 ARG 92 1HB ARG 92 -6.313 -21.324 -10.674 667 HB3 ARG 92 2HB ARG 92 -5.136 -20.529 -11.711 668 HG2 ARG 92 1HG ARG 92 -3.555 -20.392 -10.045 669 HG3 ARG 92 2HG ARG 92 -4.756 -20.483 -8.754 670 HD2 ARG 92 1HD ARG 92 -5.078 -22.808 -9.102 671 HD3 ARG 92 2HD ARG 92 -4.170 -22.775 -10.613 672 HE ARG 92 HE ARG 92 -3.104 -22.993 -7.964 673 HH11 ARG 92 2HH1 ARG 92 -2.447 -21.900 -11.203 674 HH12 ARG 92 1HH1 ARG 92 -0.728 -22.041 -11.042 675 HH21 ARG 92 2HH2 ARG 92 -0.842 -23.182 -7.739 676 HH22 ARG 92 1HH2 ARG 92 0.184 -22.771 -9.071 677 H GLN 93 H GLN 93 -8.704 -19.128 -9.829 678 HA GLN 93 HA GLN 93 -9.666 -19.173 -12.594 679 HB2 GLN 93 1HB GLN 93 -11.171 -19.562 -10.001 680 HB3 GLN 93 2HB GLN 93 -11.857 -19.717 -11.613 681 HG2 GLN 93 1HG GLN 93 -9.491 -21.375 -10.935 682 HG3 GLN 93 2HG GLN 93 -11.047 -21.810 -10.231 683 HE21 GLN 93 1HE2 GLN 93 -9.053 -22.440 -12.712 684 HE22 GLN 93 2HE2 GLN 93 -10.193 -22.970 -13.897 685 H LYS 94 H LYS 94 -9.874 -17.287 -9.620 686 HA LYS 94 HA LYS 94 -11.312 -15.182 -11.083 687 HB2 LYS 94 1HB LYS 94 -10.940 -15.563 -8.107 688 HB3 LYS 94 2HB LYS 94 -11.848 -14.258 -8.858 689 HG2 LYS 94 1HG LYS 94 -12.565 -17.106 -9.411 690 HG3 LYS 94 2HG LYS 94 -13.106 -16.314 -7.929 691 HD2 LYS 94 1HD LYS 94 -14.434 -14.800 -9.071 692 HD3 LYS 94 2HD LYS 94 -13.522 -14.976 -10.571 693 HE2 LYS 94 1HE LYS 94 -15.443 -16.135 -11.077 694 HE3 LYS 94 2HE LYS 94 -14.410 -17.432 -10.479 695 HZ1 LYS 94 1HZ LYS 94 -16.741 -17.382 -9.587 696 HZ2 LYS 94 2HZ LYS 94 -16.319 -15.980 -8.740 697 HZ3 LYS 94 3HZ LYS 94 -15.519 -17.436 -8.418 698 H LEU 95 H LEU 95 -8.704 -15.544 -8.678 699 HA LEU 95 HA LEU 95 -7.695 -12.905 -9.186 700 HB2 LEU 95 1HB LEU 95 -6.687 -15.234 -7.577 701 HB3 LEU 95 2HB LEU 95 -5.773 -13.737 -7.746 702 HG LEU 95 HG LEU 95 -8.520 -13.980 -6.519 703 HD11 LEU 95 1HD1 LEU 95 -6.778 -13.086 -4.594 704 HD12 LEU 95 2HD1 LEU 95 -5.835 -14.311 -5.442 705 HD13 LEU 95 3HD1 LEU 95 -7.400 -14.731 -4.744 706 HD21 LEU 95 1HD2 LEU 95 -8.073 -11.654 -5.782 707 HD22 LEU 95 2HD2 LEU 95 -8.227 -11.818 -7.532 708 HD23 LEU 95 3HD2 LEU 95 -6.632 -11.646 -6.799 709 H LYS 96 H LYS 96 -7.277 -15.979 -10.601 710 HA LYS 96 HA LYS 96 -5.807 -16.839 -12.125 711 HB2 LYS 96 1HB LYS 96 -5.489 -13.998 -13.073 712 HB3 LYS 96 2HB LYS 96 -5.442 -15.474 -14.027 713 HG2 LYS 96 1HG LYS 96 -7.945 -14.816 -12.567 714 HG3 LYS 96 2HG LYS 96 -7.549 -13.903 -14.024 715 HD2 LYS 96 1HD LYS 96 -7.113 -16.312 -15.004 716 HD3 LYS 96 2HD LYS 96 -8.208 -16.791 -13.705 717 HE2 LYS 96 1HE LYS 96 -9.683 -16.426 -15.436 718 HE3 LYS 96 2HE LYS 96 -9.694 -14.857 -14.632 719 HZ1 LYS 96 1HZ LYS 96 -8.465 -13.894 -16.301 720 HZ2 LYS 96 2HZ LYS 96 -9.416 -14.979 -17.182 721 HZ3 LYS 96 3HZ LYS 96 -7.805 -15.358 -16.832 722 H ILE 97 H ILE 97 -4.504 -16.618 -9.807 723 HA ILE 97 HA ILE 97 -2.189 -14.999 -9.822 724 HB ILE 97 HB ILE 97 -2.724 -17.595 -8.375 725 HG12 ILE 97 1HG1 ILE 97 -4.249 -15.751 -7.788 726 HG13 ILE 97 2HG1 ILE 97 -3.180 -16.155 -6.449 727 HG21 ILE 97 1HG2 ILE 97 -0.873 -16.840 -6.874 728 HG22 ILE 97 2HG2 ILE 97 -0.358 -17.308 -8.494 729 HG23 ILE 97 3HG2 ILE 97 -0.488 -15.602 -8.069 730 HD11 ILE 97 1HD1 ILE 97 -3.042 -13.780 -8.276 731 HD12 ILE 97 2HD1 ILE 97 -3.294 -13.808 -6.531 732 HD13 ILE 97 3HD1 ILE 97 -1.723 -14.243 -7.202 733 H THR 98 H THR 98 0.044 -15.761 -9.975 734 HA THR 98 HA THR 98 0.344 -17.652 -12.201 735 HB THR 98 HB THR 98 2.436 -15.723 -11.196 736 HG1 THR 98 1HG THR 98 0.234 -15.330 -12.889 737 HG21 THR 98 1HG2 THR 98 3.278 -15.998 -13.540 738 HG22 THR 98 2HG2 THR 98 2.078 -17.272 -13.761 739 HG23 THR 98 3HG2 THR 98 3.358 -17.463 -12.562 740 H ALA 99 H ALA 99 2.485 -16.646 -9.537 741 HA ALA 99 HA ALA 99 2.725 -19.428 -8.682 742 HB1 ALA 99 1HB ALA 99 5.246 -17.875 -9.098 743 HB2 ALA 99 2HB ALA 99 5.011 -19.620 -8.978 744 HB3 ALA 99 3HB ALA 99 4.514 -18.761 -10.436 745 H VAL 100 H VAL 100 2.558 -19.512 -6.546 746 HA VAL 100 HA VAL 100 2.688 -17.123 -4.955 747 HB VAL 100 HB VAL 100 2.071 -18.541 -3.076 748 HG11 VAL 100 1HG1 VAL 100 0.186 -19.818 -4.744 749 HG12 VAL 100 2HG1 VAL 100 -0.003 -18.317 -3.835 750 HG13 VAL 100 3HG1 VAL 100 0.585 -18.275 -5.498 751 HG21 VAL 100 1HG2 VAL 100 2.763 -20.748 -4.977 752 HG22 VAL 100 2HG2 VAL 100 3.268 -20.520 -3.303 753 HG23 VAL 100 3HG2 VAL 100 1.615 -21.017 -3.665 754 HA PRO 101 HA PRO 101 2.907 -16.724 -2.697 755 HB2 PRO 101 1HB PRO 101 4.401 -14.632 -1.823 756 HB3 PRO 101 2HB PRO 101 4.270 -16.156 -0.937 757 HG2 PRO 101 1HG PRO 101 6.446 -15.205 -2.760 758 HG3 PRO 101 2HG PRO 101 6.578 -16.035 -1.198 759 HD2 PRO 101 1HD PRO 101 6.868 -17.324 -3.562 760 HD3 PRO 101 2HD PRO 101 6.182 -18.108 -2.125 761 H THR 102 H THR 102 1.713 -15.019 -3.457 762 HA THR 102 HA THR 102 2.868 -13.465 -5.679 763 HB THR 102 HB THR 102 -0.004 -14.392 -5.505 764 HG1 THR 102 1HG THR 102 2.282 -15.517 -6.672 765 HG21 THR 102 1HG2 THR 102 0.597 -13.748 -8.121 766 HG22 THR 102 2HG2 THR 102 1.431 -12.501 -7.195 767 HG23 THR 102 3HG2 THR 102 -0.304 -12.741 -6.989 768 H LEU 103 H LEU 103 3.113 -11.448 -4.967 769 HA LEU 103 HA LEU 103 1.196 -10.329 -3.070 770 HB2 LEU 103 1HB LEU 103 3.591 -10.096 -2.609 771 HB3 LEU 103 2HB LEU 103 3.793 -9.215 -4.122 772 HG LEU 103 HG LEU 103 2.213 -7.480 -3.168 773 HD11 LEU 103 1HD1 LEU 103 1.230 -8.852 -1.412 774 HD12 LEU 103 2HD1 LEU 103 1.996 -7.415 -0.737 775 HD13 LEU 103 3HD1 LEU 103 2.800 -8.980 -0.619 776 HD21 LEU 103 1HD2 LEU 103 4.097 -6.368 -2.806 777 HD22 LEU 103 2HD2 LEU 103 4.980 -7.895 -2.814 778 HD23 LEU 103 3HD2 LEU 103 4.358 -7.244 -1.298 779 H LEU 104 H LEU 104 -0.602 -9.838 -4.274 780 HA LEU 104 HA LEU 104 -0.282 -8.165 -6.650 781 HB2 LEU 104 1HB LEU 104 -1.787 -9.863 -7.107 782 HB3 LEU 104 2HB LEU 104 -2.514 -9.786 -5.503 783 HG LEU 104 HG LEU 104 -3.531 -7.590 -6.176 784 HD11 LEU 104 1HD1 LEU 104 -1.893 -8.060 -8.489 785 HD12 LEU 104 2HD1 LEU 104 -2.806 -6.621 -8.034 786 HD13 LEU 104 3HD1 LEU 104 -3.588 -7.907 -8.953 787 HD21 LEU 104 1HD2 LEU 104 -4.484 -9.648 -8.100 788 HD22 LEU 104 2HD2 LEU 104 -5.398 -8.624 -6.992 789 HD23 LEU 104 3HD2 LEU 104 -4.522 -10.027 -6.378 790 H LYS 105 H LYS 105 -0.515 -6.036 -6.566 791 HA LYS 105 HA LYS 105 -1.428 -4.783 -4.115 792 HB2 LYS 105 1HB LYS 105 0.584 -3.941 -5.248 793 HB3 LYS 105 2HB LYS 105 -0.374 -3.564 -6.674 794 HG2 LYS 105 1HG LYS 105 -1.582 -1.871 -5.505 795 HG3 LYS 105 2HG LYS 105 -0.856 -2.344 -3.966 796 HD2 LYS 105 1HD LYS 105 1.350 -1.686 -4.818 797 HD3 LYS 105 2HD LYS 105 0.609 -1.194 -6.343 798 HE2 LYS 105 1HE LYS 105 -0.430 -0.043 -3.798 799 HE3 LYS 105 2HE LYS 105 1.100 0.555 -4.438 800 HZ1 LYS 105 1HZ LYS 105 -0.559 1.935 -5.324 801 HZ2 LYS 105 2HZ LYS 105 -1.566 0.635 -5.721 802 HZ3 LYS 105 3HZ LYS 105 -0.138 0.895 -6.590 803 H TYR 106 H TYR 106 -3.648 -5.245 -4.128 804 HA TYR 106 HA TYR 106 -5.505 -5.053 -6.078 805 HB2 TYR 106 1HB TYR 106 -5.711 -5.393 -3.458 806 HB3 TYR 106 2HB TYR 106 -6.181 -3.698 -3.505 807 HD1 TYR 106 2HD TYR 106 -6.923 -6.706 -5.607 808 HD2 TYR 106 1HD TYR 106 -8.460 -3.414 -3.393 809 HE1 TYR 106 2HE TYR 106 -9.211 -7.364 -6.228 810 HE2 TYR 106 1HE TYR 106 -10.752 -4.064 -4.006 811 HH TYR 106 HH TYR 106 -12.003 -5.880 -4.792 812 H GLY 107 H GLY 107 -5.998 -3.572 -7.545 813 HA2 GLY 107 1HA GLY 107 -6.950 -1.318 -7.868 814 HA3 GLY 107 2HA GLY 107 -5.675 -0.726 -6.814 815 H THR 108 H THR 108 -3.650 -2.472 -8.029 816 HA THR 108 HA THR 108 -3.435 -1.275 -10.706 817 HB THR 108 HB THR 108 -1.085 -0.751 -10.349 818 HG1 THR 108 1HG THR 108 -1.403 -1.344 -7.597 819 HG21 THR 108 1HG2 THR 108 -1.773 0.707 -8.046 820 HG22 THR 108 2HG2 THR 108 -3.263 0.517 -8.970 821 HG23 THR 108 3HG2 THR 108 -1.845 1.247 -9.723 822 HA PRO 109 HA PRO 109 -2.264 -5.308 -12.010 823 HB2 PRO 109 1HB PRO 109 -0.805 -4.682 -14.212 824 HB3 PRO 109 2HB PRO 109 -2.567 -4.549 -14.158 825 HG2 PRO 109 1HG PRO 109 -0.495 -2.412 -13.834 826 HG3 PRO 109 2HG PRO 109 -2.014 -2.369 -14.748 827 HD2 PRO 109 1HD PRO 109 -1.758 -1.251 -12.296 828 HD3 PRO 109 2HD PRO 109 -3.281 -1.961 -12.867 829 H GLN 110 H GLN 110 -0.167 -3.185 -10.601 830 HA GLN 110 HA GLN 110 2.306 -4.543 -11.198 831 HB2 GLN 110 1HB GLN 110 1.489 -2.212 -9.538 832 HB3 GLN 110 2HB GLN 110 2.986 -3.031 -9.112 833 HG2 GLN 110 1HG GLN 110 3.461 -2.770 -11.689 834 HG3 GLN 110 2HG GLN 110 2.308 -1.446 -11.528 835 HE21 GLN 110 1HE2 GLN 110 2.794 -0.166 -9.366 836 HE22 GLN 110 2HE2 GLN 110 4.436 0.353 -9.221 837 H LYS 111 H LYS 111 2.804 -6.438 -10.340 838 HA LYS 111 HA LYS 111 2.152 -6.929 -7.519 839 HB2 LYS 111 1HB LYS 111 1.666 -9.321 -8.137 840 HB3 LYS 111 2HB LYS 111 0.469 -8.153 -8.680 841 HG2 LYS 111 1HG LYS 111 0.676 -9.371 -10.580 842 HG3 LYS 111 2HG LYS 111 1.959 -8.193 -10.867 843 HD2 LYS 111 1HD LYS 111 3.632 -9.713 -10.456 844 HD3 LYS 111 2HD LYS 111 2.619 -10.703 -9.403 845 HE2 LYS 111 1HE LYS 111 1.915 -10.488 -12.290 846 HE3 LYS 111 2HE LYS 111 3.276 -11.507 -11.824 847 HZ1 LYS 111 1HZ LYS 111 1.294 -12.178 -10.071 848 HZ2 LYS 111 2HZ LYS 111 1.767 -13.070 -11.428 849 HZ3 LYS 111 3HZ LYS 111 0.474 -11.984 -11.538 850 H LEU 112 H LEU 112 3.383 -8.908 -6.699 851 HA LEU 112 HA LEU 112 6.029 -9.078 -7.975 852 HB2 LEU 112 1HB LEU 112 5.579 -8.976 -5.001 853 HB3 LEU 112 2HB LEU 112 7.121 -8.958 -5.853 854 HG LEU 112 HG LEU 112 5.069 -6.747 -5.793 855 HD11 LEU 112 1HD1 LEU 112 6.122 -6.278 -3.878 856 HD12 LEU 112 2HD1 LEU 112 7.451 -5.746 -4.907 857 HD13 LEU 112 3HD1 LEU 112 7.457 -7.375 -4.231 858 HD21 LEU 112 1HD2 LEU 112 7.257 -5.638 -6.893 859 HD22 LEU 112 2HD2 LEU 112 5.925 -6.309 -7.835 860 HD23 LEU 112 3HD2 LEU 112 7.378 -7.269 -7.552 861 H VAL 113 H VAL 113 6.567 -11.098 -8.439 862 HA VAL 113 HA VAL 113 5.057 -13.302 -7.315 863 HB VAL 113 HB VAL 113 7.362 -13.801 -9.124 864 HG11 VAL 113 1HG1 VAL 113 6.325 -15.773 -9.063 865 HG12 VAL 113 2HG1 VAL 113 4.882 -15.075 -8.325 866 HG13 VAL 113 3HG1 VAL 113 5.081 -15.044 -10.078 867 HG21 VAL 113 1HG2 VAL 113 5.786 -13.262 -11.069 868 HG22 VAL 113 2HG2 VAL 113 4.893 -12.283 -9.905 869 HG23 VAL 113 3HG2 VAL 113 6.579 -11.910 -10.261 870 H GLU 114 H GLU 114 6.465 -15.369 -6.900 871 HA GLU 114 HA GLU 114 7.631 -15.343 -4.517 872 HB2 GLU 114 1HB GLU 114 8.979 -16.889 -6.720 873 HB3 GLU 114 2HB GLU 114 8.782 -17.344 -5.034 874 HG2 GLU 114 1HG GLU 114 6.289 -17.395 -5.492 875 HG3 GLU 114 2HG GLU 114 6.709 -17.298 -7.201 876 H SER 115 H SER 115 9.648 -15.034 -7.446 877 HA SER 115 HA SER 115 12.012 -14.352 -6.141 878 HB2 SER 115 1HB SER 115 11.493 -14.920 -8.667 879 HB3 SER 115 2HB SER 115 11.411 -13.165 -8.822 880 HG SER 115 HG SER 115 13.500 -13.177 -8.827 881 H GLU 116 H GLU 116 9.508 -12.240 -7.518 882 HA GLU 116 HA GLU 116 10.801 -9.822 -6.753 883 HB2 GLU 116 1HB GLU 116 7.863 -10.199 -7.331 884 HB3 GLU 116 2HB GLU 116 8.794 -8.713 -7.457 885 HG2 GLU 116 1HG GLU 116 10.164 -9.921 -9.232 886 HG3 GLU 116 2HG GLU 116 8.874 -11.121 -9.237 887 H CYS 117 H CYS 117 9.168 -12.160 -4.987 888 HA CYS 117 HA CYS 117 8.175 -10.305 -2.967 889 HB2 CYS 117 1HB CYS 117 7.907 -13.271 -3.391 890 HB3 CYS 117 2HB CYS 117 7.479 -12.533 -1.852 891 HG CYS 117 HG CYS 117 5.956 -12.172 -4.870 892 H CYS 118 H CYS 118 10.997 -11.978 -3.683 893 HA CYS 118 HA CYS 118 11.832 -12.034 -0.863 894 HB2 CYS 118 1HB CYS 118 12.097 -14.189 -1.872 895 HB3 CYS 118 2HB CYS 118 12.884 -13.497 -3.285 896 HG CYS 118 HG CYS 118 14.839 -12.502 -1.054 897 H GLN 119 H GLN 119 12.092 -10.234 -3.666 898 HA GLN 119 HA GLN 119 14.777 -9.248 -3.062 899 HB2 GLN 119 1HB GLN 119 12.954 -9.075 -5.418 900 HB3 GLN 119 2HB GLN 119 14.151 -7.807 -5.192 901 HG2 GLN 119 1HG GLN 119 14.675 -9.933 -6.629 902 HG3 GLN 119 2HG GLN 119 15.908 -9.191 -5.611 903 HE21 GLN 119 1HE2 GLN 119 13.991 -11.963 -6.199 904 HE22 GLN 119 2HE2 GLN 119 14.628 -12.952 -4.934 905 H SER 120 H SER 120 14.471 -8.033 -1.215 906 HA SER 120 HA SER 120 12.448 -6.343 -0.530 907 HB2 SER 120 1HB SER 120 14.503 -4.904 0.434 908 HB3 SER 120 2HB SER 120 13.990 -6.428 1.156 909 HG SER 120 HG SER 120 16.046 -6.864 0.830 910 H SER 121 H SER 121 15.001 -5.762 -2.859 911 HA SER 121 HA SER 121 14.787 -3.019 -3.199 912 HB2 SER 121 1HB SER 121 16.508 -4.470 -4.271 913 HB3 SER 121 2HB SER 121 15.275 -5.051 -5.390 914 HG SER 121 HG SER 121 15.395 -3.239 -6.467 915 H LEU 122 H LEU 122 12.804 -5.610 -4.527 916 HA LEU 122 HA LEU 122 11.234 -3.803 -6.142 917 HB2 LEU 122 1HB LEU 122 10.995 -6.731 -5.499 918 HB3 LEU 122 2HB LEU 122 9.820 -5.870 -6.490 919 HG LEU 122 HG LEU 122 12.734 -5.945 -7.213 920 HD11 LEU 122 1HD1 LEU 122 12.107 -8.249 -7.030 921 HD12 LEU 122 2HD1 LEU 122 12.146 -7.816 -8.739 922 HD13 LEU 122 3HD1 LEU 122 10.601 -7.958 -7.900 923 HD21 LEU 122 1HD2 LEU 122 11.143 -5.927 -9.475 924 HD22 LEU 122 2HD2 LEU 122 11.975 -4.542 -8.767 925 HD23 LEU 122 3HD2 LEU 122 10.293 -4.868 -8.349 926 H VAL 123 H VAL 123 10.860 -5.573 -3.109 927 HA VAL 123 HA VAL 123 8.170 -5.083 -2.609 928 HB VAL 123 HB VAL 123 10.436 -5.259 -0.619 929 HG11 VAL 123 1HG1 VAL 123 8.229 -4.201 0.148 930 HG12 VAL 123 2HG1 VAL 123 7.546 -5.818 -0.035 931 HG13 VAL 123 3HG1 VAL 123 8.873 -5.542 1.094 932 HG21 VAL 123 1HG2 VAL 123 10.502 -7.340 -1.502 933 HG22 VAL 123 2HG2 VAL 123 9.131 -7.600 -0.425 934 HG23 VAL 123 3HG2 VAL 123 8.857 -7.245 -2.130 935 H GLU 124 H GLU 124 10.992 -3.143 -1.631 936 HA GLU 124 HA GLU 124 9.470 -1.085 -0.417 937 HB2 GLU 124 1HB GLU 124 11.520 0.143 -0.280 938 HB3 GLU 124 2HB GLU 124 11.890 -1.548 0.024 939 HG2 GLU 124 1HG GLU 124 12.739 -1.807 -2.220 940 HG3 GLU 124 2HG GLU 124 12.279 -0.151 -2.613 941 H MET 125 H MET 125 10.389 -1.756 -3.688 942 HA MET 125 HA MET 125 10.043 0.875 -4.717 943 HB2 MET 125 1HB MET 125 11.345 -0.933 -5.847 944 HB3 MET 125 2HB MET 125 9.828 -1.749 -6.200 945 HG2 MET 125 1HG MET 125 9.172 0.483 -7.330 946 HG3 MET 125 2HG MET 125 10.906 0.798 -7.321 947 HE1 MET 125 1HE MET 125 8.043 -0.771 -9.393 948 HE2 MET 125 2HE MET 125 8.665 -2.385 -9.737 949 HE3 MET 125 3HE MET 125 8.281 -1.922 -8.078 950 H ILE 126 H ILE 126 7.994 -2.039 -4.895 951 HA ILE 126 HA ILE 126 5.804 -0.890 -6.155 952 HB ILE 126 HB ILE 126 6.125 -3.335 -5.721 953 HG12 ILE 126 1HG1 ILE 126 3.429 -2.484 -4.701 954 HG13 ILE 126 2HG1 ILE 126 3.916 -2.123 -6.353 955 HG21 ILE 126 1HG2 ILE 126 6.705 -3.527 -3.481 956 HG22 ILE 126 2HG2 ILE 126 5.408 -2.457 -2.951 957 HG23 ILE 126 3HG2 ILE 126 5.034 -4.089 -3.506 958 HD11 ILE 126 1HD1 ILE 126 3.790 -4.290 -7.008 959 HD12 ILE 126 2HD1 ILE 126 4.213 -4.915 -5.413 960 HD13 ILE 126 3HD1 ILE 126 2.585 -4.312 -5.721 961 H PHE 127 H PHE 127 6.831 -0.696 -2.835 962 HA PHE 127 HA PHE 127 4.317 0.472 -1.963 963 HB2 PHE 127 1HB PHE 127 6.905 -0.042 -0.484 964 HB3 PHE 127 2HB PHE 127 5.446 0.612 0.253 965 HD1 PHE 127 2HD PHE 127 3.381 -1.056 -1.049 966 HD2 PHE 127 1HD PHE 127 7.180 -2.095 0.565 967 HE1 PHE 127 2HE PHE 127 2.572 -3.341 -0.625 968 HE2 PHE 127 1HE PHE 127 6.377 -4.382 0.991 969 HZ PHE 127 HZ PHE 127 4.070 -5.007 0.397 970 H SER 128 H SER 128 7.500 1.463 -2.935 971 HA SER 128 HA SER 128 7.391 4.093 -1.836 972 HB2 SER 128 1HB SER 128 9.367 4.535 -3.190 973 HB3 SER 128 2HB SER 128 9.517 2.953 -2.426 974 HG SER 128 HG SER 128 8.604 3.383 -5.079 975 H GLU 129 H GLU 129 6.811 2.754 -5.075 976 HA GLU 129 HA GLU 129 6.298 5.122 -6.430 977 HB2 GLU 129 1HB GLU 129 6.496 2.761 -7.375 978 HB3 GLU 129 2HB GLU 129 4.806 2.552 -6.938 979 HG2 GLU 129 1HG GLU 129 4.896 3.135 -9.235 980 HG3 GLU 129 2HG GLU 129 4.266 4.526 -8.355 981 H ASP 130 H ASP 130 4.405 6.254 -6.933 982 HA ASP 130 HA ASP 130 2.671 6.840 -4.881 983 HB2 ASP 130 1HB ASP 130 1.187 7.830 -6.638 984 HB3 ASP 130 2HB ASP 130 2.873 8.323 -6.765 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.095 22.913 18.407 2 HA2 GLY 1 1HA GLY 1 -10.060 20.510 19.781 3 HA3 GLY 1 2HA GLY 1 -10.736 20.497 18.159 4 H SER 2 H SER 2 -7.939 21.069 20.088 5 HA SER 2 HA SER 2 -6.239 22.519 18.555 6 HB2 SER 2 1HB SER 2 -5.422 21.671 20.617 7 HB3 SER 2 2HB SER 2 -5.707 20.000 20.130 8 HG SER 2 HG SER 2 -3.505 20.541 19.958 9 H GLU 3 H GLU 3 -4.726 22.088 16.898 10 HA GLU 3 HA GLU 3 -5.712 20.212 14.920 11 HB2 GLU 3 1HB GLU 3 -3.549 22.315 14.848 12 HB3 GLU 3 2HB GLU 3 -3.905 21.255 13.492 13 HG2 GLU 3 1HG GLU 3 -5.057 23.224 13.023 14 HG3 GLU 3 2HG GLU 3 -6.289 22.126 13.643 15 H GLY 4 H GLY 4 -4.063 18.931 13.647 16 HA2 GLY 4 1HA GLY 4 -1.629 18.149 14.915 17 HA3 GLY 4 2HA GLY 4 -2.903 16.973 15.205 18 H ALA 5 H ALA 5 -1.718 18.882 12.431 19 HA ALA 5 HA ALA 5 -2.377 16.832 10.559 20 HB1 ALA 5 1HB ALA 5 -0.470 19.088 10.026 21 HB2 ALA 5 2HB ALA 5 -1.553 18.267 8.901 22 HB3 ALA 5 3HB ALA 5 -2.212 19.345 10.131 23 H ALA 6 H ALA 6 -1.096 15.326 9.581 24 HA ALA 6 HA ALA 6 1.753 15.284 9.892 25 HB1 ALA 6 1HB ALA 6 0.092 13.850 11.801 26 HB2 ALA 6 2HB ALA 6 1.245 12.804 10.972 27 HB3 ALA 6 3HB ALA 6 1.816 14.221 11.852 28 H THR 7 H THR 7 2.419 14.589 7.980 29 HA THR 7 HA THR 7 0.715 12.841 6.387 30 HB THR 7 HB THR 7 2.369 13.277 4.570 31 HG1 THR 7 1HG THR 7 4.173 14.311 5.004 32 HG21 THR 7 1HG2 THR 7 1.773 15.657 4.261 33 HG22 THR 7 2HG2 THR 7 1.198 15.708 5.927 34 HG23 THR 7 3HG2 THR 7 0.393 14.674 4.748 35 H MET 8 H MET 8 1.006 10.893 7.563 36 HA MET 8 HA MET 8 3.572 9.583 6.986 37 HB2 MET 8 1HB MET 8 2.028 9.462 9.579 38 HB3 MET 8 2HB MET 8 3.342 8.367 9.171 39 HG2 MET 8 1HG MET 8 3.666 11.351 9.245 40 HG3 MET 8 2HG MET 8 3.930 10.317 10.647 41 HE1 MET 8 1HE MET 8 7.598 10.608 10.222 42 HE2 MET 8 2HE MET 8 6.153 11.320 10.941 43 HE3 MET 8 3HE MET 8 6.506 9.608 11.181 44 H ALA 9 H ALA 9 3.465 7.396 6.485 45 HA ALA 9 HA ALA 9 0.925 6.507 5.456 46 HB1 ALA 9 1HB ALA 9 3.139 4.582 5.476 47 HB2 ALA 9 2HB ALA 9 2.122 5.134 4.144 48 HB3 ALA 9 3HB ALA 9 3.493 6.110 4.669 49 H THR 10 H THR 10 0.218 4.211 5.860 50 HA THR 10 HA THR 10 0.805 3.220 8.539 51 HB THR 10 HB THR 10 -1.662 2.986 9.019 52 HG1 THR 10 1HG THR 10 -3.028 3.697 7.574 53 HG21 THR 10 1HG2 THR 10 -0.514 5.771 8.794 54 HG22 THR 10 2HG2 THR 10 -0.347 4.669 10.161 55 HG23 THR 10 3HG2 THR 10 -1.927 5.337 9.754 56 H PHE 11 H PHE 11 0.709 1.046 8.678 57 HA PHE 11 HA PHE 11 -0.569 -0.424 6.473 58 HB2 PHE 11 1HB PHE 11 1.282 -1.733 6.076 59 HB3 PHE 11 2HB PHE 11 2.068 -0.223 6.525 60 HD1 PHE 11 1HD PHE 11 1.134 -3.583 7.713 61 HD2 PHE 11 2HD PHE 11 3.396 -0.059 8.478 62 HE1 PHE 11 1HE PHE 11 2.344 -4.753 9.508 63 HE2 PHE 11 2HE PHE 11 4.610 -1.224 10.273 64 HZ PHE 11 HZ PHE 11 4.085 -3.574 10.790 65 H GLU 12 H GLU 12 -1.863 -2.049 7.077 66 HA GLU 12 HA GLU 12 -1.733 -2.937 9.884 67 HB2 GLU 12 1HB GLU 12 -3.733 -1.520 9.266 68 HB3 GLU 12 2HB GLU 12 -4.232 -2.821 8.195 69 HG2 GLU 12 1HG GLU 12 -5.450 -3.319 10.055 70 HG3 GLU 12 2HG GLU 12 -4.002 -4.279 10.355 71 H GLU 13 H GLU 13 -1.495 -5.054 10.223 72 HA GLU 13 HA GLU 13 -1.384 -6.825 7.923 73 HB2 GLU 13 1HB GLU 13 0.272 -6.673 9.969 74 HB3 GLU 13 2HB GLU 13 -0.891 -7.757 10.719 75 HG2 GLU 13 1HG GLU 13 -0.589 -9.074 8.451 76 HG3 GLU 13 2HG GLU 13 0.958 -8.228 8.449 77 H VAL 14 H VAL 14 -3.164 -7.826 7.274 78 HA VAL 14 HA VAL 14 -5.113 -8.694 9.309 79 HB VAL 14 HB VAL 14 -5.646 -7.973 6.423 80 HG11 VAL 14 1HG1 VAL 14 -7.968 -8.160 8.112 81 HG12 VAL 14 2HG1 VAL 14 -7.616 -8.988 6.593 82 HG13 VAL 14 3HG1 VAL 14 -7.070 -9.678 8.123 83 HG21 VAL 14 1HG2 VAL 14 -6.863 -6.066 7.324 84 HG22 VAL 14 2HG2 VAL 14 -6.427 -6.544 8.964 85 HG23 VAL 14 3HG2 VAL 14 -5.176 -6.024 7.836 86 H SER 15 H SER 15 -4.764 -10.798 9.660 87 HA SER 15 HA SER 15 -3.853 -12.557 7.560 88 HB2 SER 15 1HB SER 15 -3.003 -12.882 9.820 89 HB3 SER 15 2HB SER 15 -4.641 -13.117 10.430 90 HG SER 15 HG SER 15 -3.215 -14.781 8.628 91 H VAL 16 H VAL 16 -5.008 -14.086 6.488 92 HA VAL 16 HA VAL 16 -7.732 -14.706 7.262 93 HB VAL 16 HB VAL 16 -8.625 -14.167 4.985 94 HG11 VAL 16 1HG1 VAL 16 -8.938 -11.786 5.436 95 HG12 VAL 16 2HG1 VAL 16 -9.084 -12.739 6.915 96 HG13 VAL 16 3HG1 VAL 16 -7.609 -11.826 6.595 97 HG21 VAL 16 1HG2 VAL 16 -6.923 -12.092 4.208 98 HG22 VAL 16 2HG2 VAL 16 -5.865 -13.460 4.557 99 HG23 VAL 16 3HG2 VAL 16 -7.173 -13.633 3.386 100 H LEU 17 H LEU 17 -8.632 -16.489 6.063 101 HA LEU 17 HA LEU 17 -6.697 -18.000 4.453 102 HB2 LEU 17 1HB LEU 17 -6.994 -18.666 6.987 103 HB3 LEU 17 2HB LEU 17 -8.437 -19.469 6.370 104 HG LEU 17 HG LEU 17 -5.686 -19.990 5.265 105 HD11 LEU 17 1HD1 LEU 17 -6.850 -22.026 7.007 106 HD12 LEU 17 2HD1 LEU 17 -6.390 -20.544 7.844 107 HD13 LEU 17 3HD1 LEU 17 -5.193 -21.431 6.901 108 HD21 LEU 17 1HD2 LEU 17 -6.635 -21.672 4.061 109 HD22 LEU 17 2HD2 LEU 17 -8.016 -20.578 4.140 110 HD23 LEU 17 3HD2 LEU 17 -7.914 -21.950 5.244 111 H GLY 18 H GLY 18 -7.631 -18.133 2.515 112 HA2 GLY 18 1HA GLY 18 -9.237 -19.399 1.198 113 HA3 GLY 18 2HA GLY 18 -10.446 -19.018 2.416 114 H PHE 19 H PHE 19 -11.215 -18.534 -0.054 115 HA PHE 19 HA PHE 19 -10.542 -15.852 -0.890 116 HB2 PHE 19 1HB PHE 19 -11.090 -17.756 -2.470 117 HB3 PHE 19 2HB PHE 19 -12.765 -17.597 -1.953 118 HD1 PHE 19 2HD PHE 19 -13.848 -15.276 -2.231 119 HD2 PHE 19 1HD PHE 19 -10.289 -16.485 -4.228 120 HE1 PHE 19 2HE PHE 19 -14.201 -13.518 -3.916 121 HE2 PHE 19 1HE PHE 19 -10.635 -14.728 -5.916 122 HZ PHE 19 HZ PHE 19 -12.594 -13.243 -5.762 123 H GLU 20 H GLU 20 -13.075 -17.451 0.894 124 HA GLU 20 HA GLU 20 -15.101 -15.549 0.747 125 HB2 GLU 20 1HB GLU 20 -14.314 -17.464 2.937 126 HB3 GLU 20 2HB GLU 20 -15.732 -16.432 3.059 127 HG2 GLU 20 1HG GLU 20 -16.360 -17.473 0.765 128 HG3 GLU 20 2HG GLU 20 -15.219 -18.733 1.234 129 H GLU 21 H GLU 21 -12.851 -15.928 3.492 130 HA GLU 21 HA GLU 21 -13.447 -13.487 4.702 131 HB2 GLU 21 1HB GLU 21 -10.935 -15.160 4.799 132 HB3 GLU 21 2HB GLU 21 -11.210 -13.761 5.827 133 HG2 GLU 21 1HG GLU 21 -11.711 -15.831 6.994 134 HG3 GLU 21 2HG GLU 21 -13.155 -14.837 6.807 135 H PHE 22 H PHE 22 -10.650 -14.297 2.644 136 HA PHE 22 HA PHE 22 -9.333 -11.943 2.514 137 HB2 PHE 22 1HB PHE 22 -8.436 -13.708 1.247 138 HB3 PHE 22 2HB PHE 22 -9.930 -13.941 0.346 139 HD1 PHE 22 2HD PHE 22 -7.940 -10.864 1.001 140 HD2 PHE 22 1HD PHE 22 -9.422 -13.624 -1.880 141 HE1 PHE 22 2HE PHE 22 -7.066 -9.442 -0.807 142 HE2 PHE 22 1HE PHE 22 -8.550 -12.207 -3.692 143 HZ PHE 22 HZ PHE 22 -7.371 -10.112 -3.157 144 H ASP 23 H ASP 23 -12.195 -12.761 0.573 145 HA ASP 23 HA ASP 23 -12.401 -10.441 -0.921 146 HB2 ASP 23 1HB ASP 23 -13.819 -12.584 -1.033 147 HB3 ASP 23 2HB ASP 23 -14.817 -11.838 0.213 148 H LYS 24 H LYS 24 -13.895 -11.121 2.240 149 HA LYS 24 HA LYS 24 -15.142 -8.662 2.613 150 HB2 LYS 24 1HB LYS 24 -14.154 -10.806 4.437 151 HB3 LYS 24 2HB LYS 24 -14.634 -9.269 5.145 152 HG2 LYS 24 1HG LYS 24 -16.848 -9.483 4.208 153 HG3 LYS 24 2HG LYS 24 -16.381 -10.968 3.376 154 HD2 LYS 24 1HD LYS 24 -17.474 -11.760 5.264 155 HD3 LYS 24 2HD LYS 24 -15.777 -11.820 5.745 156 HE2 LYS 24 1HE LYS 24 -16.097 -9.561 6.791 157 HE3 LYS 24 2HE LYS 24 -17.822 -9.729 6.472 158 HZ1 LYS 24 1HZ LYS 24 -16.130 -11.261 8.336 159 HZ2 LYS 24 2HZ LYS 24 -17.566 -11.931 7.745 160 HZ3 LYS 24 3HZ LYS 24 -17.607 -10.488 8.627 161 H ALA 25 H ALA 25 -12.005 -9.694 3.970 162 HA ALA 25 HA ALA 25 -11.217 -7.318 5.105 163 HB1 ALA 25 1HB ALA 25 -9.084 -8.799 3.705 164 HB2 ALA 25 2HB ALA 25 -9.202 -8.295 5.392 165 HB3 ALA 25 3HB ALA 25 -10.065 -9.730 4.839 166 H VAL 26 H VAL 26 -11.216 -8.221 1.728 167 HA VAL 26 HA VAL 26 -9.579 -6.053 0.837 168 HB VAL 26 HB VAL 26 -11.440 -7.923 -0.621 169 HG11 VAL 26 1HG1 VAL 26 -9.697 -5.748 -1.776 170 HG12 VAL 26 2HG1 VAL 26 -10.519 -6.999 -2.711 171 HG13 VAL 26 3HG1 VAL 26 -11.459 -5.810 -1.808 172 HG21 VAL 26 1HG2 VAL 26 -8.611 -7.863 -1.325 173 HG22 VAL 26 2HG2 VAL 26 -8.900 -8.294 0.361 174 HG23 VAL 26 3HG2 VAL 26 -9.652 -9.231 -0.931 175 H LYS 27 H LYS 27 -13.023 -6.698 0.163 176 HA LYS 27 HA LYS 27 -13.687 -4.174 -0.747 177 HB2 LYS 27 1HB LYS 27 -15.861 -4.889 -0.728 178 HB3 LYS 27 2HB LYS 27 -15.053 -6.442 -0.559 179 HG2 LYS 27 1HG LYS 27 -15.434 -6.436 1.818 180 HG3 LYS 27 2HG LYS 27 -16.115 -4.810 1.737 181 HD2 LYS 27 1HD LYS 27 -17.273 -7.154 0.243 182 HD3 LYS 27 2HD LYS 27 -17.785 -6.702 1.870 183 HE2 LYS 27 1HE LYS 27 -19.328 -5.550 0.642 184 HE3 LYS 27 2HE LYS 27 -18.060 -4.330 0.749 185 HZ1 LYS 27 1HZ LYS 27 -18.175 -4.268 -1.457 186 HZ2 LYS 27 2HZ LYS 27 -19.083 -5.692 -1.551 187 HZ3 LYS 27 3HZ LYS 27 -17.395 -5.770 -1.461 188 H GLU 28 H GLU 28 -13.341 -5.330 2.532 189 HA GLU 28 HA GLU 28 -14.676 -3.260 3.878 190 HB2 GLU 28 1HB GLU 28 -12.516 -5.193 4.629 191 HB3 GLU 28 2HB GLU 28 -12.927 -3.886 5.731 192 HG2 GLU 28 1HG GLU 28 -14.799 -6.002 4.696 193 HG3 GLU 28 2HG GLU 28 -14.121 -5.901 6.320 194 H HIS 29 H HIS 29 -11.318 -3.563 2.803 195 HA HIS 29 HA HIS 29 -10.809 -0.803 3.660 196 HB2 HIS 29 1HB HIS 29 -8.781 -2.781 2.618 197 HB3 HIS 29 2HB HIS 29 -8.476 -1.293 3.509 198 HD1 HIS 29 1HD HIS 29 -10.068 -1.514 5.975 199 HD2 HIS 29 2HD HIS 29 -8.233 -4.831 4.276 200 HE1 HIS 29 1HE HIS 29 -9.837 -3.184 7.841 201 HE2 HIS 29 2HE HIS 29 -8.647 -5.150 6.809 202 H GLU 30 H GLU 30 -12.310 -1.817 1.202 203 HA GLU 30 HA GLU 30 -10.912 -1.404 -1.140 204 HB2 GLU 30 1HB GLU 30 -13.046 -0.871 -2.181 205 HB3 GLU 30 2HB GLU 30 -13.240 -2.199 -1.046 206 HG2 GLU 30 1HG GLU 30 -15.061 -0.954 -0.507 207 HG3 GLU 30 2HG GLU 30 -13.884 -0.261 0.607 208 H SER 31 H SER 31 -12.152 0.949 1.134 209 HA SER 31 HA SER 31 -12.002 3.254 -0.435 210 HB2 SER 31 1HB SER 31 -11.605 4.404 1.837 211 HB3 SER 31 2HB SER 31 -13.096 3.483 1.639 212 HG SER 31 HG SER 31 -12.467 2.230 3.191 213 H LYS 32 H LYS 32 -9.534 1.638 1.514 214 HA LYS 32 HA LYS 32 -7.521 3.479 0.406 215 HB2 LYS 32 1HB LYS 32 -6.084 2.779 2.279 216 HB3 LYS 32 2HB LYS 32 -7.596 3.480 2.840 217 HG2 LYS 32 1HG LYS 32 -7.477 0.534 2.518 218 HG3 LYS 32 2HG LYS 32 -6.606 1.258 3.872 219 HD2 LYS 32 1HD LYS 32 -9.408 2.127 3.387 220 HD3 LYS 32 2HD LYS 32 -9.144 0.522 4.073 221 HE2 LYS 32 1HE LYS 32 -9.458 2.243 5.803 222 HE3 LYS 32 2HE LYS 32 -7.874 1.476 5.899 223 HZ1 LYS 32 1HZ LYS 32 -7.874 3.945 6.142 224 HZ2 LYS 32 2HZ LYS 32 -8.350 4.059 4.523 225 HZ3 LYS 32 3HZ LYS 32 -6.860 3.362 4.920 226 H THR 33 H THR 33 -5.286 2.370 0.234 227 HA THR 33 HA THR 33 -5.421 0.427 -1.778 228 HB THR 33 HB THR 33 -3.070 1.141 -0.013 229 HG1 THR 33 1HG THR 33 -3.559 2.013 -2.668 230 HG21 THR 33 1HG2 THR 33 -1.688 0.218 -1.809 231 HG22 THR 33 2HG2 THR 33 -3.139 -0.263 -2.687 232 HG23 THR 33 3HG2 THR 33 -2.755 -1.014 -1.139 233 H ILE 34 H ILE 34 -4.880 -1.774 -1.804 234 HA ILE 34 HA ILE 34 -4.802 -3.121 0.808 235 HB ILE 34 HB ILE 34 -6.564 -3.851 -1.529 236 HG12 ILE 34 1HG1 ILE 34 -7.415 -3.530 1.333 237 HG13 ILE 34 2HG1 ILE 34 -7.222 -2.115 0.303 238 HG21 ILE 34 1HG2 ILE 34 -7.232 -5.697 0.250 239 HG22 ILE 34 2HG2 ILE 34 -5.937 -5.954 -0.918 240 HG23 ILE 34 3HG2 ILE 34 -5.550 -5.480 0.736 241 HD11 ILE 34 1HD1 ILE 34 -9.532 -2.876 0.375 242 HD12 ILE 34 2HD1 ILE 34 -8.861 -3.010 -1.250 243 HD13 ILE 34 3HD1 ILE 34 -9.038 -4.449 -0.247 244 H PHE 35 H PHE 35 -3.427 -4.815 0.957 245 HA PHE 35 HA PHE 35 -2.071 -5.676 -1.513 246 HB2 PHE 35 1HB PHE 35 -0.924 -5.010 1.187 247 HB3 PHE 35 2HB PHE 35 -0.072 -6.079 0.077 248 HD1 PHE 35 2HD PHE 35 0.558 -5.205 -2.198 249 HD2 PHE 35 1HD PHE 35 -0.833 -2.686 0.938 250 HE1 PHE 35 2HE PHE 35 1.514 -3.251 -3.348 251 HE2 PHE 35 1HE PHE 35 0.120 -0.728 -0.207 252 HZ PHE 35 HZ PHE 35 1.297 -1.009 -2.353 253 H ALA 36 H ALA 36 -2.783 -7.667 -1.927 254 HA ALA 36 HA ALA 36 -3.313 -9.508 0.284 255 HB1 ALA 36 1HB ALA 36 -4.241 -9.263 -2.504 256 HB2 ALA 36 2HB ALA 36 -4.035 -10.907 -1.898 257 HB3 ALA 36 3HB ALA 36 -5.106 -9.786 -1.058 258 H TYR 37 H TYR 37 -1.830 -10.932 0.885 259 HA TYR 37 HA TYR 37 0.324 -11.610 -0.997 260 HB2 TYR 37 1HB TYR 37 0.979 -10.574 1.170 261 HB3 TYR 37 2HB TYR 37 0.271 -11.950 2.009 262 HD1 TYR 37 1HD TYR 37 2.576 -11.525 -0.912 263 HD2 TYR 37 2HD TYR 37 1.856 -13.391 2.843 264 HE1 TYR 37 1HE TYR 37 4.708 -12.734 -1.111 265 HE2 TYR 37 2HE TYR 37 3.987 -14.605 2.655 266 HH TYR 37 HH TYR 37 5.756 -15.033 1.386 267 H PHE 38 H PHE 38 -0.790 -13.232 -2.121 268 HA PHE 38 HA PHE 38 -1.994 -15.446 -0.757 269 HB2 PHE 38 1HB PHE 38 -1.176 -15.368 -3.660 270 HB3 PHE 38 2HB PHE 38 -2.448 -16.334 -2.920 271 HD1 PHE 38 1HD PHE 38 -4.452 -15.105 -1.941 272 HD2 PHE 38 2HD PHE 38 -1.649 -13.284 -4.576 273 HE1 PHE 38 1HE PHE 38 -6.096 -13.352 -2.473 274 HE2 PHE 38 2HE PHE 38 -3.287 -11.529 -5.112 275 HZ PHE 38 HZ PHE 38 -5.514 -11.561 -4.060 276 H SER 39 H SER 39 -0.734 -16.780 0.379 277 HA SER 39 HA SER 39 1.410 -18.176 -1.001 278 HB2 SER 39 1HB SER 39 3.008 -17.810 0.866 279 HB3 SER 39 2HB SER 39 2.607 -16.316 0.019 280 HG SER 39 HG SER 39 2.566 -16.292 2.412 281 H GLY 40 H GLY 40 1.849 -20.217 -0.166 282 HA2 GLY 40 1HA GLY 40 -0.128 -21.743 0.863 283 HA3 GLY 40 2HA GLY 40 1.568 -22.092 1.161 284 H SER 41 H SER 41 -0.600 -22.675 2.923 285 HA SER 41 HA SER 41 -0.724 -20.730 5.006 286 HB2 SER 41 1HB SER 41 -1.431 -23.674 5.024 287 HB3 SER 41 2HB SER 41 -1.833 -22.529 6.303 288 HG SER 41 HG SER 41 -3.576 -22.781 4.875 289 H LYS 42 H LYS 42 0.028 -21.094 7.220 290 HA LYS 42 HA LYS 42 2.778 -22.047 7.209 291 HB2 LYS 42 1HB LYS 42 1.204 -20.566 9.324 292 HB3 LYS 42 2HB LYS 42 2.915 -20.958 9.427 293 HG2 LYS 42 1HG LYS 42 3.381 -19.555 7.505 294 HG3 LYS 42 2HG LYS 42 1.660 -19.202 7.326 295 HD2 LYS 42 1HD LYS 42 3.178 -18.588 9.849 296 HD3 LYS 42 2HD LYS 42 3.078 -17.448 8.505 297 HE2 LYS 42 1HE LYS 42 0.521 -17.845 8.694 298 HE3 LYS 42 2HE LYS 42 0.905 -18.459 10.301 299 HZ1 LYS 42 1HZ LYS 42 0.609 -16.291 10.813 300 HZ2 LYS 42 2HZ LYS 42 1.034 -15.734 9.274 301 HZ3 LYS 42 3HZ LYS 42 2.239 -16.189 10.371 302 H ASP 43 H ASP 43 3.595 -23.602 8.612 303 HA ASP 43 HA ASP 43 1.666 -25.599 9.450 304 HB2 ASP 43 1HB ASP 43 3.697 -26.963 9.954 305 HB3 ASP 43 2HB ASP 43 3.619 -26.401 8.286 306 H THR 44 H THR 44 2.656 -26.801 11.597 307 HA THR 44 HA THR 44 1.786 -25.281 13.750 308 HB THR 44 HB THR 44 2.801 -26.977 15.206 309 HG1 THR 44 1HG THR 44 4.149 -27.662 12.811 310 HG21 THR 44 1HG2 THR 44 1.457 -28.018 12.714 311 HG22 THR 44 2HG2 THR 44 0.698 -27.578 14.244 312 HG23 THR 44 3HG2 THR 44 1.740 -28.997 14.152 313 H GLU 45 H GLU 45 5.054 -25.754 12.498 314 HA GLU 45 HA GLU 45 6.392 -24.418 14.609 315 HB2 GLU 45 1HB GLU 45 7.273 -25.973 12.653 316 HB3 GLU 45 2HB GLU 45 7.522 -24.430 11.847 317 HG2 GLU 45 1HG GLU 45 9.560 -24.815 12.848 318 HG3 GLU 45 2HG GLU 45 8.757 -23.756 14.006 319 H GLY 46 H GLY 46 4.643 -23.320 11.844 320 HA2 GLY 46 1HA GLY 46 3.848 -21.082 11.684 321 HA3 GLY 46 2HA GLY 46 5.241 -20.552 12.615 322 H LYS 47 H LYS 47 5.318 -22.705 9.827 323 HA LYS 47 HA LYS 47 6.383 -20.561 8.153 324 HB2 LYS 47 1HB LYS 47 8.384 -21.716 7.589 325 HB3 LYS 47 2HB LYS 47 8.290 -21.708 9.345 326 HG2 LYS 47 1HG LYS 47 7.623 -23.989 9.401 327 HG3 LYS 47 2HG LYS 47 7.395 -24.027 7.651 328 HD2 LYS 47 1HD LYS 47 9.458 -24.999 7.788 329 HD3 LYS 47 2HD LYS 47 9.942 -23.306 7.669 330 HE2 LYS 47 1HE LYS 47 10.556 -23.185 9.874 331 HE3 LYS 47 2HE LYS 47 9.433 -24.451 10.368 332 HZ1 LYS 47 1HZ LYS 47 12.080 -24.744 9.089 333 HZ2 LYS 47 2HZ LYS 47 10.946 -25.998 9.058 334 HZ3 LYS 47 3HZ LYS 47 11.527 -25.421 10.538 335 H SER 48 H SER 48 6.006 -20.826 5.987 336 HA SER 48 HA SER 48 3.991 -22.716 5.253 337 HB2 SER 48 1HB SER 48 5.557 -20.676 3.667 338 HB3 SER 48 2HB SER 48 4.318 -21.705 2.949 339 HG SER 48 HG SER 48 3.080 -20.769 4.935 340 H TRP 49 H TRP 49 4.126 -24.472 3.891 341 HA TRP 49 HA TRP 49 6.228 -26.185 4.030 342 HB2 TRP 49 1HB TRP 49 5.331 -27.031 1.706 343 HB3 TRP 49 2HB TRP 49 4.330 -27.163 3.149 344 HD1 TRP 49 HD TRP 49 2.192 -25.567 3.316 345 HE1 TRP 49 1HE TRP 49 0.893 -24.238 1.535 346 HE3 TRP 49 3HE TRP 49 5.629 -25.705 -0.466 347 HZ2 TRP 49 2HZ TRP 49 1.275 -23.364 -1.121 348 HZ3 TRP 49 3HZ TRP 49 5.084 -24.599 -2.595 349 HH2 TRP 49 HH TRP 49 2.952 -23.454 -2.914 350 H CYS 50 H CYS 50 5.825 -23.539 1.761 351 HA CYS 50 HA CYS 50 8.184 -24.278 0.251 352 HB2 CYS 50 1HB CYS 50 6.149 -23.218 -0.790 353 HB3 CYS 50 2HB CYS 50 6.569 -21.732 0.054 354 HG CYS 50 HG CYS 50 7.533 -21.085 -2.322 355 HA PRO 51 HA PRO 51 10.995 -22.065 2.843 356 HB2 PRO 51 1HB PRO 51 13.097 -22.010 1.126 357 HB3 PRO 51 2HB PRO 51 12.613 -23.465 2.006 358 HG2 PRO 51 1HG PRO 51 12.020 -22.675 -0.820 359 HG3 PRO 51 2HG PRO 51 12.502 -24.256 -0.178 360 HD2 PRO 51 1HD PRO 51 9.933 -23.651 -0.784 361 HD3 PRO 51 2HD PRO 51 10.369 -24.757 0.535 362 H ASP 52 H ASP 52 10.948 -21.098 -0.594 363 HA ASP 52 HA ASP 52 12.008 -18.600 -0.465 364 HB2 ASP 52 1HB ASP 52 9.751 -19.696 -2.117 365 HB3 ASP 52 2HB ASP 52 10.249 -18.015 -2.287 366 H CYS 53 H CYS 53 8.503 -19.221 -0.177 367 HA CYS 53 HA CYS 53 7.620 -16.726 0.461 368 HB2 CYS 53 1HB CYS 53 5.908 -18.266 0.270 369 HB3 CYS 53 2HB CYS 53 6.725 -19.457 1.276 370 HG CYS 53 HG CYS 53 6.193 -18.099 3.676 371 H VAL 54 H VAL 54 8.817 -19.140 2.788 372 HA VAL 54 HA VAL 54 8.541 -17.608 5.101 373 HB VAL 54 HB VAL 54 10.646 -19.692 4.502 374 HG11 VAL 54 1HG1 VAL 54 9.630 -18.800 7.193 375 HG12 VAL 54 2HG1 VAL 54 10.971 -19.896 6.851 376 HG13 VAL 54 3HG1 VAL 54 11.108 -18.182 6.455 377 HG21 VAL 54 1HG2 VAL 54 7.995 -20.002 5.904 378 HG22 VAL 54 2HG2 VAL 54 8.292 -20.443 4.222 379 HG23 VAL 54 3HG2 VAL 54 9.151 -21.277 5.517 380 H GLU 55 H GLU 55 11.000 -17.563 2.620 381 HA GLU 55 HA GLU 55 12.731 -15.821 4.178 382 HB2 GLU 55 1HB GLU 55 13.639 -17.622 2.687 383 HB3 GLU 55 2HB GLU 55 13.044 -16.709 1.307 384 HG2 GLU 55 1HG GLU 55 15.219 -16.025 1.367 385 HG3 GLU 55 2HG GLU 55 14.458 -14.777 2.352 386 H ALA 56 H ALA 56 10.150 -15.552 1.984 387 HA ALA 56 HA ALA 56 10.911 -12.883 1.083 388 HB1 ALA 56 1HB ALA 56 8.537 -13.154 -0.034 389 HB2 ALA 56 2HB ALA 56 9.966 -13.938 -0.709 390 HB3 ALA 56 3HB ALA 56 8.841 -14.862 0.285 391 H GLU 57 H GLU 57 8.831 -14.448 3.378 392 HA GLU 57 HA GLU 57 6.892 -12.536 3.841 393 HB2 GLU 57 1HB GLU 57 7.512 -14.898 4.986 394 HB3 GLU 57 2HB GLU 57 8.067 -13.805 6.246 395 HG2 GLU 57 1HG GLU 57 5.341 -13.483 5.074 396 HG3 GLU 57 2HG GLU 57 5.645 -14.708 6.304 397 HA PRO 58 HA PRO 58 9.926 -10.389 6.956 398 HB2 PRO 58 1HB PRO 58 12.558 -11.001 6.694 399 HB3 PRO 58 2HB PRO 58 11.466 -11.892 7.762 400 HG2 PRO 58 1HG PRO 58 12.415 -12.594 5.011 401 HG3 PRO 58 2HG PRO 58 12.248 -13.635 6.437 402 HD2 PRO 58 1HD PRO 58 10.416 -13.590 4.444 403 HD3 PRO 58 2HD PRO 58 9.978 -13.896 6.137 404 H VAL 59 H VAL 59 10.456 -10.935 3.624 405 HA VAL 59 HA VAL 59 12.063 -8.535 3.253 406 HB VAL 59 HB VAL 59 10.930 -10.323 1.104 407 HG11 VAL 59 1HG1 VAL 59 11.861 -7.971 0.623 408 HG12 VAL 59 2HG1 VAL 59 13.437 -8.687 0.963 409 HG13 VAL 59 3HG1 VAL 59 12.445 -9.320 -0.351 410 HG21 VAL 59 1HG2 VAL 59 12.383 -11.467 2.887 411 HG22 VAL 59 2HG2 VAL 59 12.823 -11.688 1.193 412 HG23 VAL 59 3HG2 VAL 59 13.716 -10.543 2.194 413 H ILE 60 H ILE 60 8.794 -9.696 2.692 414 HA ILE 60 HA ILE 60 7.974 -7.361 1.232 415 HB ILE 60 HB ILE 60 6.314 -9.536 2.513 416 HG12 ILE 60 1HG1 ILE 60 7.460 -9.153 -0.244 417 HG13 ILE 60 2HG1 ILE 60 7.592 -10.554 0.814 418 HG21 ILE 60 1HG2 ILE 60 5.396 -7.666 0.357 419 HG22 ILE 60 2HG2 ILE 60 4.433 -8.690 1.421 420 HG23 ILE 60 3HG2 ILE 60 5.230 -7.254 2.064 421 HD11 ILE 60 1HD1 ILE 60 6.068 -11.319 -0.690 422 HD12 ILE 60 2HD1 ILE 60 4.980 -10.604 0.501 423 HD13 ILE 60 3HD1 ILE 60 5.377 -9.721 -0.973 424 H ARG 61 H ARG 61 7.416 -8.606 4.516 425 HA ARG 61 HA ARG 61 5.789 -6.520 5.425 426 HB2 ARG 61 1HB ARG 61 6.506 -8.828 6.505 427 HB3 ARG 61 2HB ARG 61 7.712 -7.823 7.298 428 HG2 ARG 61 1HG ARG 61 6.176 -6.741 8.577 429 HG3 ARG 61 2HG ARG 61 4.897 -6.901 7.372 430 HD2 ARG 61 1HD ARG 61 5.919 -9.377 8.654 431 HD3 ARG 61 2HD ARG 61 4.903 -8.309 9.621 432 HE ARG 61 HE ARG 61 3.661 -8.731 7.145 433 HH11 ARG 61 2HH1 ARG 61 4.486 -10.471 10.046 434 HH12 ARG 61 1HH1 ARG 61 3.165 -11.583 9.911 435 HH21 ARG 61 2HH2 ARG 61 1.917 -10.189 6.957 436 HH22 ARG 61 1HH2 ARG 61 1.704 -11.422 8.153 437 H GLU 62 H GLU 62 9.259 -6.767 5.100 438 HA GLU 62 HA GLU 62 10.028 -4.640 6.755 439 HB2 GLU 62 1HB GLU 62 11.262 -5.957 4.360 440 HB3 GLU 62 2HB GLU 62 12.003 -4.523 5.056 441 HG2 GLU 62 1HG GLU 62 11.331 -6.869 6.780 442 HG3 GLU 62 2HG GLU 62 12.802 -6.857 5.808 443 H GLY 63 H GLY 63 9.489 -4.663 3.226 444 HA2 GLY 63 1HA GLY 63 9.846 -1.902 2.846 445 HA3 GLY 63 2HA GLY 63 8.961 -2.972 1.768 446 H LEU 64 H LEU 64 6.977 -3.771 3.682 447 HA LEU 64 HA LEU 64 4.996 -1.903 3.224 448 HB2 LEU 64 1HB LEU 64 5.328 -4.102 5.213 449 HB3 LEU 64 2HB LEU 64 3.948 -3.015 5.352 450 HG LEU 64 HG LEU 64 4.561 -4.582 2.854 451 HD11 LEU 64 1HD1 LEU 64 2.316 -5.488 4.471 452 HD12 LEU 64 2HD1 LEU 64 3.876 -5.713 5.260 453 HD13 LEU 64 3HD1 LEU 64 3.585 -6.414 3.668 454 HD21 LEU 64 1HD2 LEU 64 3.000 -2.452 3.048 455 HD22 LEU 64 2HD2 LEU 64 1.855 -3.650 3.653 456 HD23 LEU 64 3HD2 LEU 64 2.563 -3.837 2.048 457 H LYS 65 H LYS 65 7.551 -1.765 5.473 458 HA LYS 65 HA LYS 65 6.241 0.046 7.306 459 HB2 LYS 65 1HB LYS 65 9.111 -0.866 7.057 460 HB3 LYS 65 2HB LYS 65 8.537 0.228 8.309 461 HG2 LYS 65 1HG LYS 65 6.803 -1.738 8.705 462 HG3 LYS 65 2HG LYS 65 8.109 -2.686 7.988 463 HD2 LYS 65 1HD LYS 65 8.711 -2.782 10.195 464 HD3 LYS 65 2HD LYS 65 9.576 -1.323 9.706 465 HE2 LYS 65 1HE LYS 65 6.785 -1.049 10.697 466 HE3 LYS 65 2HE LYS 65 8.058 -1.382 11.870 467 HZ1 LYS 65 1HZ LYS 65 8.255 0.840 11.858 468 HZ2 LYS 65 2HZ LYS 65 7.539 1.022 10.337 469 HZ3 LYS 65 3HZ LYS 65 9.169 0.585 10.457 470 H HIS 66 H HIS 66 8.392 0.234 4.552 471 HA HIS 66 HA HIS 66 8.721 3.115 4.903 472 HB2 HIS 66 1HB HIS 66 9.872 1.333 2.748 473 HB3 HIS 66 2HB HIS 66 10.349 2.988 3.115 474 HD1 HIS 66 1HD HIS 66 12.201 3.277 4.761 475 HD2 HIS 66 2HD HIS 66 10.572 -0.543 4.877 476 HE1 HIS 66 1HE HIS 66 13.678 1.964 6.315 477 HE2 HIS 66 2HE HIS 66 12.723 -0.367 6.303 478 H VAL 67 H VAL 67 6.158 1.745 4.133 479 HA VAL 67 HA VAL 67 5.646 2.384 1.399 480 HB VAL 67 HB VAL 67 4.367 0.670 2.674 481 HG11 VAL 67 1HG1 VAL 67 2.433 2.447 3.836 482 HG12 VAL 67 2HG1 VAL 67 3.346 1.140 4.591 483 HG13 VAL 67 3HG1 VAL 67 4.032 2.763 4.507 484 HG21 VAL 67 1HG2 VAL 67 3.275 1.173 0.728 485 HG22 VAL 67 2HG2 VAL 67 2.046 1.658 1.897 486 HG23 VAL 67 3HG2 VAL 67 3.079 2.875 1.147 487 H THR 68 H THR 68 4.614 4.133 0.511 488 HA THR 68 HA THR 68 4.366 6.486 2.262 489 HB THR 68 HB THR 68 4.778 7.882 0.372 490 HG1 THR 68 1HG THR 68 4.400 7.234 -1.614 491 HG21 THR 68 1HG2 THR 68 6.873 6.349 -0.595 492 HG22 THR 68 2HG2 THR 68 6.608 5.723 1.032 493 HG23 THR 68 3HG2 THR 68 6.930 7.439 0.789 494 H GLU 69 H GLU 69 2.286 4.515 2.038 495 HA GLU 69 HA GLU 69 0.100 6.263 1.408 496 HB2 GLU 69 1HB GLU 69 -0.915 5.017 -0.343 497 HB3 GLU 69 2HB GLU 69 0.755 5.282 -0.823 498 HG2 GLU 69 1HG GLU 69 1.166 2.954 0.233 499 HG3 GLU 69 2HG GLU 69 -0.578 2.764 0.064 500 H ASP 70 H ASP 70 -1.578 5.824 2.701 501 HA ASP 70 HA ASP 70 -1.392 3.838 4.692 502 HB2 ASP 70 1HB ASP 70 -3.967 5.184 3.897 503 HB3 ASP 70 2HB ASP 70 -3.464 4.639 5.494 504 H CYS 71 H CYS 71 -1.301 1.763 3.989 505 HA CYS 71 HA CYS 71 -3.605 0.787 2.432 506 HB2 CYS 71 1HB CYS 71 -2.210 -0.834 1.375 507 HB3 CYS 71 2HB CYS 71 -1.378 0.710 1.248 508 HG CYS 71 HG CYS 71 -0.103 -0.291 3.902 509 H VAL 72 H VAL 72 -3.858 -1.685 2.750 510 HA VAL 72 HA VAL 72 -3.425 -2.379 5.577 511 HB VAL 72 HB VAL 72 -5.990 -2.766 4.029 512 HG11 VAL 72 1HG1 VAL 72 -6.665 -3.482 6.496 513 HG12 VAL 72 2HG1 VAL 72 -6.037 -4.639 5.322 514 HG13 VAL 72 3HG1 VAL 72 -4.967 -3.955 6.547 515 HG21 VAL 72 1HG2 VAL 72 -6.404 -1.446 6.483 516 HG22 VAL 72 2HG2 VAL 72 -5.037 -0.651 5.703 517 HG23 VAL 72 3HG2 VAL 72 -6.577 -0.789 4.855 518 H PHE 73 H PHE 73 -1.821 -3.856 5.195 519 HA PHE 73 HA PHE 73 -1.683 -5.699 3.120 520 HB2 PHE 73 1HB PHE 73 0.120 -5.104 4.818 521 HB3 PHE 73 2HB PHE 73 -0.670 -6.235 5.911 522 HD1 PHE 73 2HD PHE 73 0.373 -6.223 2.323 523 HD2 PHE 73 1HD PHE 73 0.355 -8.272 6.055 524 HE1 PHE 73 2HE PHE 73 1.636 -8.075 1.309 525 HE2 PHE 73 1HE PHE 73 1.618 -10.127 5.046 526 HZ PHE 73 HZ PHE 73 2.259 -10.031 2.670 527 H ILE 74 H ILE 74 -2.249 -7.871 2.921 528 HA ILE 74 HA ILE 74 -4.086 -8.962 4.931 529 HB ILE 74 HB ILE 74 -4.662 -9.022 1.968 530 HG12 ILE 74 1HG1 ILE 74 -5.977 -7.407 4.164 531 HG13 ILE 74 2HG1 ILE 74 -4.952 -6.761 2.887 532 HG21 ILE 74 1HG2 ILE 74 -6.632 -10.168 2.473 533 HG22 ILE 74 2HG2 ILE 74 -5.421 -10.931 3.503 534 HG23 ILE 74 3HG2 ILE 74 -6.543 -9.754 4.185 535 HD11 ILE 74 1HD1 ILE 74 -7.595 -8.137 2.472 536 HD12 ILE 74 2HD1 ILE 74 -7.323 -6.395 2.443 537 HD13 ILE 74 3HD1 ILE 74 -6.579 -7.424 1.219 538 H TYR 75 H TYR 75 -2.949 -10.674 5.616 539 HA TYR 75 HA TYR 75 -1.337 -12.246 3.810 540 HB2 TYR 75 1HB TYR 75 -0.848 -11.699 6.295 541 HB3 TYR 75 2HB TYR 75 -1.970 -13.009 6.649 542 HD1 TYR 75 1HD TYR 75 -1.460 -15.230 5.220 543 HD2 TYR 75 2HD TYR 75 1.390 -12.233 6.221 544 HE1 TYR 75 1HE TYR 75 0.354 -16.866 4.930 545 HE2 TYR 75 2HE TYR 75 3.211 -13.860 5.933 546 HH TYR 75 HH TYR 75 2.811 -16.817 4.408 547 H CYS 76 H CYS 76 -2.830 -13.135 2.366 548 HA CYS 76 HA CYS 76 -4.866 -14.926 3.466 549 HB2 CYS 76 1HB CYS 76 -5.618 -13.368 1.746 550 HB3 CYS 76 2HB CYS 76 -4.392 -13.969 0.636 551 HG CYS 76 HG CYS 76 -5.641 -16.658 0.905 552 H GLN 77 H GLN 77 -4.737 -17.090 3.345 553 HA GLN 77 HA GLN 77 -2.369 -18.222 2.018 554 HB2 GLN 77 1HB GLN 77 -4.038 -19.417 4.237 555 HB3 GLN 77 2HB GLN 77 -2.560 -20.095 3.568 556 HG2 GLN 77 1HG GLN 77 -1.217 -18.593 4.638 557 HG3 GLN 77 2HG GLN 77 -2.464 -17.349 4.693 558 HE21 GLN 77 1HE2 GLN 77 -3.886 -17.293 6.386 559 HE22 GLN 77 2HE2 GLN 77 -3.720 -18.278 7.796 560 H VAL 78 H VAL 78 -2.719 -19.271 0.187 561 HA VAL 78 HA VAL 78 -5.170 -19.767 -0.979 562 HB VAL 78 HB VAL 78 -3.892 -21.563 -2.319 563 HG11 VAL 78 1HG1 VAL 78 -4.272 -19.414 -3.259 564 HG12 VAL 78 2HG1 VAL 78 -3.056 -18.672 -2.217 565 HG13 VAL 78 3HG1 VAL 78 -2.564 -19.783 -3.496 566 HG21 VAL 78 1HG2 VAL 78 -1.642 -21.869 -2.000 567 HG22 VAL 78 2HG2 VAL 78 -1.427 -20.304 -1.218 568 HG23 VAL 78 3HG2 VAL 78 -2.167 -21.637 -0.333 569 H GLY 79 H GLY 79 -3.309 -21.797 1.208 570 HA2 GLY 79 1HA GLY 79 -5.129 -23.168 2.514 571 HA3 GLY 79 2HA GLY 79 -5.269 -23.957 0.950 572 H ASP 80 H ASP 80 -4.093 -25.726 0.681 573 HA ASP 80 HA ASP 80 -1.825 -26.178 2.494 574 HB2 ASP 80 1HB ASP 80 -3.335 -28.217 0.848 575 HB3 ASP 80 2HB ASP 80 -2.138 -28.546 2.098 576 H LYS 81 H LYS 81 -0.218 -27.853 1.396 577 HA LYS 81 HA LYS 81 1.098 -26.422 -0.660 578 HB2 LYS 81 1HB LYS 81 2.634 -27.604 0.544 579 HB3 LYS 81 2HB LYS 81 1.542 -28.956 0.815 580 HG2 LYS 81 1HG LYS 81 2.055 -29.945 -1.219 581 HG3 LYS 81 2HG LYS 81 2.678 -28.442 -1.904 582 HD2 LYS 81 1HD LYS 81 4.600 -28.547 -0.400 583 HD3 LYS 81 2HD LYS 81 3.970 -30.035 0.313 584 HE2 LYS 81 1HE LYS 81 4.694 -29.698 -2.596 585 HE3 LYS 81 2HE LYS 81 5.754 -30.407 -1.378 586 HZ1 LYS 81 1HZ LYS 81 3.506 -31.563 -2.747 587 HZ2 LYS 81 2HZ LYS 81 3.457 -31.801 -1.073 588 HZ3 LYS 81 3HZ LYS 81 4.799 -32.320 -1.963 589 HA PRO 82 HA PRO 82 -0.251 -30.055 -3.548 590 HB2 PRO 82 1HB PRO 82 -2.129 -31.768 -2.595 591 HB3 PRO 82 2HB PRO 82 -0.394 -32.023 -2.371 592 HG2 PRO 82 1HG PRO 82 -2.404 -30.887 -0.464 593 HG3 PRO 82 2HG PRO 82 -1.098 -32.045 -0.154 594 HD2 PRO 82 1HD PRO 82 -0.886 -29.414 0.450 595 HD3 PRO 82 2HD PRO 82 0.508 -30.395 -0.044 596 H TYR 83 H TYR 83 -2.228 -28.054 -1.687 597 HA TYR 83 HA TYR 83 -4.608 -28.354 -3.313 598 HB2 TYR 83 1HB TYR 83 -5.103 -27.866 -1.067 599 HB3 TYR 83 2HB TYR 83 -3.868 -26.615 -0.972 600 HD1 TYR 83 2HD TYR 83 -4.267 -24.401 -1.985 601 HD2 TYR 83 1HD TYR 83 -7.298 -27.386 -1.903 602 HE1 TYR 83 2HE TYR 83 -5.960 -22.687 -2.477 603 HE2 TYR 83 1HE TYR 83 -9.000 -25.680 -2.396 604 HH TYR 83 HH TYR 83 -9.391 -23.429 -2.443 605 H TRP 84 H TRP 84 -2.002 -26.013 -2.857 606 HA TRP 84 HA TRP 84 -2.938 -23.932 -4.425 607 HB2 TRP 84 1HB TRP 84 -0.978 -23.506 -3.201 608 HB3 TRP 84 2HB TRP 84 -0.164 -24.934 -3.835 609 HD1 TRP 84 HD TRP 84 1.826 -24.086 -5.204 610 HE1 TRP 84 1HE TRP 84 2.184 -22.302 -7.023 611 HE3 TRP 84 3HE TRP 84 -2.844 -22.006 -5.233 612 HZ2 TRP 84 2HZ TRP 84 0.686 -20.279 -8.302 613 HZ3 TRP 84 3HZ TRP 84 -3.299 -20.150 -6.783 614 HH2 TRP 84 HH TRP 84 -1.569 -19.306 -8.285 615 H LYS 85 H LYS 85 -1.302 -26.903 -5.395 616 HA LYS 85 HA LYS 85 -0.797 -26.312 -8.064 617 HB2 LYS 85 1HB LYS 85 -1.581 -28.967 -6.846 618 HB3 LYS 85 2HB LYS 85 -0.860 -28.758 -8.437 619 HG2 LYS 85 1HG LYS 85 1.198 -28.093 -7.543 620 HG3 LYS 85 2HG LYS 85 0.504 -27.786 -5.949 621 HD2 LYS 85 1HD LYS 85 -0.054 -30.306 -5.956 622 HD3 LYS 85 2HD LYS 85 1.126 -30.408 -7.265 623 HE2 LYS 85 1HE LYS 85 2.889 -29.792 -5.895 624 HE3 LYS 85 2HE LYS 85 1.834 -29.012 -4.718 625 HZ1 LYS 85 1HZ LYS 85 2.718 -31.731 -4.846 626 HZ2 LYS 85 2HZ LYS 85 1.039 -31.615 -4.688 627 HZ3 LYS 85 3HZ LYS 85 2.048 -30.876 -3.549 628 H ASP 86 H ASP 86 -3.734 -27.577 -6.549 629 HA ASP 86 HA ASP 86 -5.313 -28.307 -8.591 630 HB2 ASP 86 1HB ASP 86 -6.242 -26.378 -6.454 631 HB3 ASP 86 2HB ASP 86 -7.238 -27.520 -7.353 632 HA PRO 87 HA PRO 87 -4.966 -24.680 -11.250 633 HB2 PRO 87 1HB PRO 87 -5.951 -25.929 -13.449 634 HB3 PRO 87 2HB PRO 87 -4.275 -26.103 -12.916 635 HG2 PRO 87 1HG PRO 87 -6.598 -27.941 -12.489 636 HG3 PRO 87 2HG PRO 87 -4.927 -28.335 -12.934 637 HD2 PRO 87 1HD PRO 87 -5.860 -28.589 -10.405 638 HD3 PRO 87 2HD PRO 87 -4.175 -28.159 -10.763 639 H ASN 88 H ASN 88 -7.651 -26.436 -10.126 640 HA ASN 88 HA ASN 88 -9.564 -24.658 -11.460 641 HB2 ASN 88 1HB ASN 88 -11.245 -26.261 -10.320 642 HB3 ASN 88 2HB ASN 88 -10.312 -26.865 -11.687 643 HD21 ASN 88 1HD2 ASN 88 -8.471 -28.198 -11.245 644 HD22 ASN 88 2HD2 ASN 88 -8.423 -29.153 -9.805 645 H ASN 89 H ASN 89 -7.769 -23.841 -9.257 646 HA ASN 89 HA ASN 89 -9.514 -23.506 -6.968 647 HB2 ASN 89 1HB ASN 89 -6.661 -22.853 -7.587 648 HB3 ASN 89 2HB ASN 89 -7.459 -22.004 -6.266 649 HD21 ASN 89 1HD2 ASN 89 -5.263 -23.697 -5.938 650 HD22 ASN 89 2HD2 ASN 89 -5.762 -25.065 -5.008 651 H ASP 90 H ASP 90 -10.221 -21.495 -6.156 652 HA ASP 90 HA ASP 90 -11.178 -19.695 -8.105 653 HB2 ASP 90 1HB ASP 90 -10.954 -19.226 -5.125 654 HB3 ASP 90 2HB ASP 90 -12.028 -18.392 -6.245 655 H PHE 91 H PHE 91 -8.160 -19.952 -6.594 656 HA PHE 91 HA PHE 91 -7.467 -17.163 -6.665 657 HB2 PHE 91 1HB PHE 91 -5.831 -19.668 -6.255 658 HB3 PHE 91 2HB PHE 91 -5.137 -18.050 -6.234 659 HD1 PHE 91 2HD PHE 91 -5.647 -16.501 -4.425 660 HD2 PHE 91 1HD PHE 91 -7.184 -20.470 -4.444 661 HE1 PHE 91 2HE PHE 91 -6.212 -16.290 -2.040 662 HE2 PHE 91 1HE PHE 91 -7.752 -20.265 -2.059 663 HZ PHE 91 HZ PHE 91 -7.264 -18.173 -0.853 664 H ARG 92 H ARG 92 -7.016 -19.963 -8.739 665 HA ARG 92 HA ARG 92 -5.465 -18.375 -10.640 666 HB2 ARG 92 1HB ARG 92 -6.218 -21.286 -10.880 667 HB3 ARG 92 2HB ARG 92 -4.947 -20.430 -11.741 668 HG2 ARG 92 1HG ARG 92 -3.551 -20.375 -9.889 669 HG3 ARG 92 2HG ARG 92 -4.878 -20.661 -8.761 670 HD2 ARG 92 1HD ARG 92 -4.943 -22.922 -9.200 671 HD3 ARG 92 2HD ARG 92 -4.223 -22.737 -10.799 672 HE ARG 92 HE ARG 92 -2.842 -23.101 -8.312 673 HH11 ARG 92 2HH1 ARG 92 -2.612 -21.789 -11.528 674 HH12 ARG 92 1HH1 ARG 92 -0.883 -21.885 -11.584 675 HH21 ARG 92 2HH2 ARG 92 -0.566 -23.233 -8.374 676 HH22 ARG 92 1HH2 ARG 92 0.280 -22.708 -9.790 677 H GLN 93 H GLN 93 -8.658 -19.181 -10.022 678 HA GLN 93 HA GLN 93 -9.461 -19.081 -12.832 679 HB2 GLN 93 1HB GLN 93 -11.085 -19.593 -10.335 680 HB3 GLN 93 2HB GLN 93 -11.719 -19.626 -11.975 681 HG2 GLN 93 1HG GLN 93 -9.406 -21.370 -11.318 682 HG3 GLN 93 2HG GLN 93 -11.003 -21.824 -10.726 683 HE21 GLN 93 1HE2 GLN 93 -8.928 -22.465 -13.070 684 HE22 GLN 93 2HE2 GLN 93 -10.000 -22.826 -14.375 685 H LYS 94 H LYS 94 -10.144 -17.427 -9.759 686 HA LYS 94 HA LYS 94 -11.413 -15.235 -11.213 687 HB2 LYS 94 1HB LYS 94 -11.113 -15.665 -8.235 688 HB3 LYS 94 2HB LYS 94 -12.077 -14.412 -9.006 689 HG2 LYS 94 1HG LYS 94 -13.290 -16.406 -10.141 690 HG3 LYS 94 2HG LYS 94 -12.586 -17.347 -8.824 691 HD2 LYS 94 1HD LYS 94 -13.589 -15.680 -7.233 692 HD3 LYS 94 2HD LYS 94 -14.447 -14.985 -8.610 693 HE2 LYS 94 1HE LYS 94 -16.027 -16.444 -7.807 694 HE3 LYS 94 2HE LYS 94 -15.209 -17.462 -8.991 695 HZ1 LYS 94 1HZ LYS 94 -14.662 -18.871 -7.394 696 HZ2 LYS 94 2HZ LYS 94 -15.542 -17.951 -6.281 697 HZ3 LYS 94 3HZ LYS 94 -13.892 -17.654 -6.506 698 H LEU 95 H LEU 95 -8.888 -15.633 -8.725 699 HA LEU 95 HA LEU 95 -7.904 -12.969 -9.097 700 HB2 LEU 95 1HB LEU 95 -6.933 -15.356 -7.560 701 HB3 LEU 95 2HB LEU 95 -5.984 -13.875 -7.668 702 HG LEU 95 HG LEU 95 -8.758 -14.089 -6.498 703 HD11 LEU 95 1HD1 LEU 95 -6.113 -14.549 -5.384 704 HD12 LEU 95 2HD1 LEU 95 -7.704 -14.915 -4.718 705 HD13 LEU 95 3HD1 LEU 95 -7.014 -13.305 -4.517 706 HD21 LEU 95 1HD2 LEU 95 -6.801 -11.799 -6.638 707 HD22 LEU 95 2HD2 LEU 95 -8.283 -11.804 -5.683 708 HD23 LEU 95 3HD2 LEU 95 -8.367 -11.903 -7.442 709 H LYS 96 H LYS 96 -7.353 -15.998 -10.597 710 HA LYS 96 HA LYS 96 -5.844 -16.751 -12.135 711 HB2 LYS 96 1HB LYS 96 -6.003 -13.817 -12.825 712 HB3 LYS 96 2HB LYS 96 -5.152 -14.990 -13.821 713 HG2 LYS 96 1HG LYS 96 -7.987 -15.524 -13.095 714 HG3 LYS 96 2HG LYS 96 -7.633 -14.316 -14.332 715 HD2 LYS 96 1HD LYS 96 -6.270 -16.952 -14.519 716 HD3 LYS 96 2HD LYS 96 -7.984 -16.872 -14.934 717 HE2 LYS 96 1HE LYS 96 -7.329 -14.882 -16.413 718 HE3 LYS 96 2HE LYS 96 -5.670 -15.442 -16.207 719 HZ1 LYS 96 1HZ LYS 96 -7.040 -16.262 -18.213 720 HZ2 LYS 96 2HZ LYS 96 -7.756 -17.318 -17.102 721 HZ3 LYS 96 3HZ LYS 96 -6.086 -17.373 -17.366 722 H ILE 97 H ILE 97 -4.598 -16.618 -9.787 723 HA ILE 97 HA ILE 97 -2.330 -14.947 -9.648 724 HB ILE 97 HB ILE 97 -2.753 -17.664 -8.397 725 HG12 ILE 97 1HG1 ILE 97 -4.478 -16.125 -7.694 726 HG13 ILE 97 2HG1 ILE 97 -3.331 -16.320 -6.373 727 HG21 ILE 97 1HG2 ILE 97 -0.451 -17.266 -8.276 728 HG22 ILE 97 2HG2 ILE 97 -0.674 -15.542 -7.982 729 HG23 ILE 97 3HG2 ILE 97 -1.071 -16.710 -6.721 730 HD11 ILE 97 1HD1 ILE 97 -2.281 -14.171 -7.602 731 HD12 ILE 97 2HD1 ILE 97 -3.991 -13.950 -7.974 732 HD13 ILE 97 3HD1 ILE 97 -3.463 -14.084 -6.296 733 H THR 98 H THR 98 -0.127 -15.425 -10.013 734 HA THR 98 HA THR 98 0.293 -17.213 -12.283 735 HB THR 98 HB THR 98 2.195 -15.202 -11.063 736 HG1 THR 98 1HG THR 98 0.698 -13.951 -11.994 737 HG21 THR 98 1HG2 THR 98 2.436 -17.191 -13.204 738 HG22 THR 98 2HG2 THR 98 3.690 -16.354 -12.287 739 HG23 THR 98 3HG2 THR 98 2.931 -15.564 -13.669 740 H ALA 99 H ALA 99 2.097 -16.415 -9.305 741 HA ALA 99 HA ALA 99 2.428 -19.194 -8.648 742 HB1 ALA 99 1HB ALA 99 4.745 -19.420 -8.949 743 HB2 ALA 99 2HB ALA 99 4.160 -18.696 -10.447 744 HB3 ALA 99 3HB ALA 99 4.962 -17.694 -9.237 745 H VAL 100 H VAL 100 2.296 -19.283 -6.511 746 HA VAL 100 HA VAL 100 2.633 -16.928 -4.898 747 HB VAL 100 HB VAL 100 1.923 -18.280 -3.034 748 HG11 VAL 100 1HG1 VAL 100 -0.243 -18.597 -3.697 749 HG12 VAL 100 2HG1 VAL 100 0.347 -17.628 -5.048 750 HG13 VAL 100 3HG1 VAL 100 0.218 -19.380 -5.208 751 HG21 VAL 100 1HG2 VAL 100 2.817 -20.487 -4.767 752 HG22 VAL 100 2HG2 VAL 100 2.842 -20.341 -3.010 753 HG23 VAL 100 3HG2 VAL 100 1.351 -20.791 -3.836 754 HA PRO 101 HA PRO 101 2.934 -16.591 -2.633 755 HB2 PRO 101 1HB PRO 101 4.587 -14.621 -1.763 756 HB3 PRO 101 2HB PRO 101 4.378 -16.150 -0.902 757 HG2 PRO 101 1HG PRO 101 6.564 -15.309 -2.765 758 HG3 PRO 101 2HG PRO 101 6.681 -16.178 -1.224 759 HD2 PRO 101 1HD PRO 101 6.822 -17.435 -3.618 760 HD3 PRO 101 2HD PRO 101 6.123 -18.201 -2.177 761 H THR 102 H THR 102 1.715 -15.109 -3.626 762 HA THR 102 HA THR 102 2.971 -13.438 -5.705 763 HB THR 102 HB THR 102 0.092 -14.359 -5.616 764 HG1 THR 102 1HG THR 102 2.333 -15.303 -7.102 765 HG21 THR 102 1HG2 THR 102 0.394 -12.236 -6.779 766 HG22 THR 102 2HG2 THR 102 0.026 -13.522 -7.929 767 HG23 THR 102 3HG2 THR 102 1.681 -12.939 -7.757 768 H LEU 103 H LEU 103 3.172 -11.407 -5.036 769 HA LEU 103 HA LEU 103 1.252 -10.312 -3.123 770 HB2 LEU 103 1HB LEU 103 3.648 -10.078 -2.655 771 HB3 LEU 103 2HB LEU 103 3.847 -9.177 -4.157 772 HG LEU 103 HG LEU 103 2.229 -7.478 -3.169 773 HD11 LEU 103 1HD1 LEU 103 2.509 -7.573 -0.554 774 HD12 LEU 103 2HD1 LEU 103 2.625 -9.306 -0.857 775 HD13 LEU 103 3HD1 LEU 103 1.189 -8.417 -1.364 776 HD21 LEU 103 1HD2 LEU 103 3.982 -6.331 -2.003 777 HD22 LEU 103 2HD2 LEU 103 4.693 -7.193 -3.367 778 HD23 LEU 103 3HD2 LEU 103 4.855 -7.839 -1.733 779 H LEU 104 H LEU 104 -0.542 -9.722 -4.242 780 HA LEU 104 HA LEU 104 -0.223 -8.069 -6.640 781 HB2 LEU 104 1HB LEU 104 -1.754 -9.702 -7.150 782 HB3 LEU 104 2HB LEU 104 -2.415 -9.741 -5.517 783 HG LEU 104 HG LEU 104 -3.450 -7.480 -6.040 784 HD11 LEU 104 1HD1 LEU 104 -1.891 -7.325 -8.137 785 HD12 LEU 104 2HD1 LEU 104 -3.522 -6.657 -8.180 786 HD13 LEU 104 3HD1 LEU 104 -3.193 -8.226 -8.914 787 HD21 LEU 104 1HD2 LEU 104 -5.366 -8.541 -6.561 788 HD22 LEU 104 2HD2 LEU 104 -4.400 -9.993 -6.296 789 HD23 LEU 104 3HD2 LEU 104 -4.651 -9.387 -7.934 790 H LYS 105 H LYS 105 -0.706 -5.957 -6.682 791 HA LYS 105 HA LYS 105 -1.506 -4.700 -4.171 792 HB2 LYS 105 1HB LYS 105 0.481 -3.827 -5.307 793 HB3 LYS 105 2HB LYS 105 -0.475 -3.491 -6.744 794 HG2 LYS 105 1HG LYS 105 -1.646 -1.751 -5.691 795 HG3 LYS 105 2HG LYS 105 -1.108 -2.252 -4.086 796 HD2 LYS 105 1HD LYS 105 1.173 -1.612 -4.627 797 HD3 LYS 105 2HD LYS 105 0.683 -1.179 -6.266 798 HE2 LYS 105 1HE LYS 105 -0.450 0.105 -3.788 799 HE3 LYS 105 2HE LYS 105 0.930 0.749 -4.676 800 HZ1 LYS 105 1HZ LYS 105 -1.764 1.173 -5.191 801 HZ2 LYS 105 2HZ LYS 105 -1.184 0.221 -6.464 802 HZ3 LYS 105 3HZ LYS 105 -0.443 1.700 -6.108 803 H TYR 106 H TYR 106 -3.715 -5.102 -4.109 804 HA TYR 106 HA TYR 106 -5.606 -4.974 -6.047 805 HB2 TYR 106 1HB TYR 106 -5.773 -5.274 -3.422 806 HB3 TYR 106 2HB TYR 106 -6.238 -3.578 -3.482 807 HD1 TYR 106 2HD TYR 106 -7.025 -6.559 -5.604 808 HD2 TYR 106 1HD TYR 106 -8.517 -3.334 -3.264 809 HE1 TYR 106 2HE TYR 106 -9.325 -7.214 -6.178 810 HE2 TYR 106 1HE TYR 106 -10.821 -3.981 -3.830 811 HH TYR 106 HH TYR 106 -11.665 -5.818 -6.284 812 H GLY 107 H GLY 107 -5.793 -3.524 -7.629 813 HA2 GLY 107 1HA GLY 107 -6.863 -1.278 -7.976 814 HA3 GLY 107 2HA GLY 107 -5.606 -0.663 -6.913 815 H THR 108 H THR 108 -3.508 -2.327 -8.008 816 HA THR 108 HA THR 108 -3.253 -1.158 -10.701 817 HB THR 108 HB THR 108 -0.826 -0.851 -10.256 818 HG1 THR 108 1HG THR 108 0.007 -1.501 -8.417 819 HG21 THR 108 1HG2 THR 108 -2.642 0.604 -8.329 820 HG22 THR 108 2HG2 THR 108 -2.384 1.030 -10.021 821 HG23 THR 108 3HG2 THR 108 -1.054 1.148 -8.869 822 HA PRO 109 HA PRO 109 -2.197 -5.191 -12.095 823 HB2 PRO 109 1HB PRO 109 -0.634 -4.568 -14.226 824 HB3 PRO 109 2HB PRO 109 -2.389 -4.356 -14.227 825 HG2 PRO 109 1HG PRO 109 -0.237 -2.327 -13.767 826 HG3 PRO 109 2HG PRO 109 -1.719 -2.187 -14.731 827 HD2 PRO 109 1HD PRO 109 -1.500 -1.155 -12.237 828 HD3 PRO 109 2HD PRO 109 -3.032 -1.777 -12.881 829 H GLN 110 H GLN 110 -0.049 -3.197 -10.565 830 HA GLN 110 HA GLN 110 2.394 -4.599 -11.128 831 HB2 GLN 110 1HB GLN 110 1.583 -2.470 -9.173 832 HB3 GLN 110 2HB GLN 110 3.137 -3.278 -9.015 833 HG2 GLN 110 1HG GLN 110 3.527 -2.627 -11.450 834 HG3 GLN 110 2HG GLN 110 2.151 -1.543 -11.250 835 HE21 GLN 110 1HE2 GLN 110 2.321 -0.181 -9.179 836 HE22 GLN 110 2HE2 GLN 110 3.855 0.564 -8.902 837 H LYS 111 H LYS 111 3.027 -6.459 -10.277 838 HA LYS 111 HA LYS 111 2.204 -7.182 -7.571 839 HB2 LYS 111 1HB LYS 111 1.632 -9.501 -8.362 840 HB3 LYS 111 2HB LYS 111 0.491 -8.252 -8.839 841 HG2 LYS 111 1HG LYS 111 0.689 -9.383 -10.803 842 HG3 LYS 111 2HG LYS 111 1.974 -8.191 -11.010 843 HD2 LYS 111 1HD LYS 111 3.646 -9.737 -10.682 844 HD3 LYS 111 2HD LYS 111 2.619 -10.798 -9.715 845 HE2 LYS 111 1HE LYS 111 1.630 -11.750 -11.572 846 HE3 LYS 111 2HE LYS 111 1.987 -10.364 -12.601 847 HZ1 LYS 111 1HZ LYS 111 4.419 -11.416 -11.752 848 HZ2 LYS 111 2HZ LYS 111 3.771 -11.434 -13.314 849 HZ3 LYS 111 3HZ LYS 111 3.476 -12.726 -12.262 850 H LEU 112 H LEU 112 3.559 -8.717 -6.565 851 HA LEU 112 HA LEU 112 6.127 -9.124 -7.951 852 HB2 LEU 112 1HB LEU 112 5.661 -9.013 -4.978 853 HB3 LEU 112 2HB LEU 112 7.213 -9.071 -5.811 854 HG LEU 112 HG LEU 112 5.267 -6.768 -5.756 855 HD11 LEU 112 1HD1 LEU 112 7.582 -7.518 -4.182 856 HD12 LEU 112 2HD1 LEU 112 6.382 -6.256 -3.901 857 HD13 LEU 112 3HD1 LEU 112 7.772 -5.935 -4.937 858 HD21 LEU 112 1HD2 LEU 112 6.704 -5.579 -7.201 859 HD22 LEU 112 2HD2 LEU 112 6.444 -7.147 -7.966 860 HD23 LEU 112 3HD2 LEU 112 7.952 -6.822 -7.109 861 H VAL 113 H VAL 113 6.606 -11.150 -8.449 862 HA VAL 113 HA VAL 113 5.054 -13.334 -7.350 863 HB VAL 113 HB VAL 113 7.375 -13.814 -9.159 864 HG11 VAL 113 1HG1 VAL 113 5.308 -15.204 -10.162 865 HG12 VAL 113 2HG1 VAL 113 6.345 -15.806 -8.867 866 HG13 VAL 113 3HG1 VAL 113 4.789 -15.068 -8.482 867 HG21 VAL 113 1HG2 VAL 113 5.842 -13.293 -11.102 868 HG22 VAL 113 2HG2 VAL 113 4.825 -12.425 -9.953 869 HG23 VAL 113 3HG2 VAL 113 6.485 -11.900 -10.232 870 H GLU 114 H GLU 114 6.415 -15.432 -6.939 871 HA GLU 114 HA GLU 114 7.556 -15.451 -4.543 872 HB2 GLU 114 1HB GLU 114 8.890 -17.006 -6.750 873 HB3 GLU 114 2HB GLU 114 8.675 -17.470 -5.068 874 HG2 GLU 114 1HG GLU 114 6.169 -17.428 -5.569 875 HG3 GLU 114 2HG GLU 114 6.643 -17.405 -7.266 876 H SER 115 H SER 115 9.631 -15.199 -7.436 877 HA SER 115 HA SER 115 11.981 -14.552 -6.088 878 HB2 SER 115 1HB SER 115 11.014 -14.160 -8.893 879 HB3 SER 115 2HB SER 115 12.519 -13.389 -8.393 880 HG SER 115 HG SER 115 12.723 -15.554 -9.300 881 H GLU 116 H GLU 116 9.508 -12.424 -7.479 882 HA GLU 116 HA GLU 116 10.847 -10.014 -6.741 883 HB2 GLU 116 1HB GLU 116 7.903 -10.308 -7.322 884 HB3 GLU 116 2HB GLU 116 8.902 -8.874 -7.514 885 HG2 GLU 116 1HG GLU 116 10.211 -10.295 -9.223 886 HG3 GLU 116 2HG GLU 116 8.785 -11.330 -9.213 887 H CYS 117 H CYS 117 9.210 -12.311 -4.954 888 HA CYS 117 HA CYS 117 8.133 -10.451 -2.992 889 HB2 CYS 117 1HB CYS 117 8.091 -13.459 -3.222 890 HB3 CYS 117 2HB CYS 117 7.483 -12.609 -1.807 891 HG CYS 117 HG CYS 117 6.277 -12.133 -4.974 892 H CYS 118 H CYS 118 11.025 -12.108 -3.606 893 HA CYS 118 HA CYS 118 11.851 -11.936 -0.790 894 HB2 CYS 118 1HB CYS 118 12.173 -14.142 -1.710 895 HB3 CYS 118 2HB CYS 118 13.013 -13.485 -3.110 896 HG CYS 118 HG CYS 118 15.358 -13.703 -2.109 897 H GLN 119 H GLN 119 12.064 -10.301 -3.694 898 HA GLN 119 HA GLN 119 14.711 -9.186 -3.138 899 HB2 GLN 119 1HB GLN 119 12.888 -9.179 -5.511 900 HB3 GLN 119 2HB GLN 119 14.101 -7.915 -5.356 901 HG2 GLN 119 1HG GLN 119 14.702 -9.983 -6.714 902 HG3 GLN 119 2HG GLN 119 15.868 -9.417 -5.519 903 HE21 GLN 119 1HE2 GLN 119 14.182 -12.050 -6.672 904 HE22 GLN 119 2HE2 GLN 119 14.444 -13.134 -5.354 905 H SER 120 H SER 120 14.321 -7.887 -1.359 906 HA SER 120 HA SER 120 12.245 -6.227 -0.794 907 HB2 SER 120 1HB SER 120 14.528 -6.635 0.445 908 HB3 SER 120 2HB SER 120 15.017 -5.161 -0.391 909 HG SER 120 HG SER 120 14.034 -4.911 1.760 910 H SER 121 H SER 121 15.024 -5.436 -2.861 911 HA SER 121 HA SER 121 14.709 -2.846 -3.462 912 HB2 SER 121 1HB SER 121 16.244 -4.623 -4.566 913 HB3 SER 121 2HB SER 121 14.948 -4.783 -5.752 914 HG SER 121 HG SER 121 16.841 -2.923 -5.624 915 H LEU 122 H LEU 122 12.607 -5.438 -4.593 916 HA LEU 122 HA LEU 122 10.981 -3.609 -6.149 917 HB2 LEU 122 1HB LEU 122 10.651 -6.541 -5.532 918 HB3 LEU 122 2HB LEU 122 9.614 -5.615 -6.615 919 HG LEU 122 HG LEU 122 12.567 -5.903 -7.098 920 HD11 LEU 122 1HD1 LEU 122 10.994 -7.576 -8.802 921 HD12 LEU 122 2HD1 LEU 122 10.699 -8.003 -7.117 922 HD13 LEU 122 3HD1 LEU 122 12.344 -8.007 -7.752 923 HD21 LEU 122 1HD2 LEU 122 11.351 -5.709 -9.502 924 HD22 LEU 122 2HD2 LEU 122 11.962 -4.329 -8.589 925 HD23 LEU 122 3HD2 LEU 122 10.252 -4.755 -8.505 926 H VAL 123 H VAL 123 10.782 -5.414 -3.127 927 HA VAL 123 HA VAL 123 8.105 -4.997 -2.499 928 HB VAL 123 HB VAL 123 10.464 -5.128 -0.616 929 HG11 VAL 123 1HG1 VAL 123 8.283 -4.135 0.272 930 HG12 VAL 123 2HG1 VAL 123 7.612 -5.756 0.079 931 HG13 VAL 123 3HG1 VAL 123 8.980 -5.490 1.160 932 HG21 VAL 123 1HG2 VAL 123 8.648 -7.419 -0.883 933 HG22 VAL 123 2HG2 VAL 123 9.604 -7.061 -2.321 934 HG23 VAL 123 3HG2 VAL 123 10.408 -7.370 -0.782 935 H GLU 124 H GLU 124 10.910 -3.038 -1.483 936 HA GLU 124 HA GLU 124 9.373 -1.011 -0.258 937 HB2 GLU 124 1HB GLU 124 11.429 0.289 -0.227 938 HB3 GLU 124 2HB GLU 124 11.757 -1.376 0.230 939 HG2 GLU 124 1HG GLU 124 12.711 -1.854 -1.896 940 HG3 GLU 124 2HG GLU 124 12.180 -0.305 -2.546 941 H MET 125 H MET 125 10.280 -1.615 -3.548 942 HA MET 125 HA MET 125 9.875 1.025 -4.532 943 HB2 MET 125 1HB MET 125 11.208 -0.698 -5.719 944 HB3 MET 125 2HB MET 125 9.730 -1.597 -6.029 945 HG2 MET 125 1HG MET 125 9.850 1.236 -6.901 946 HG3 MET 125 2HG MET 125 10.772 0.041 -7.810 947 HE1 MET 125 1HE MET 125 8.156 -2.652 -8.259 948 HE2 MET 125 2HE MET 125 8.914 -1.941 -9.684 949 HE3 MET 125 3HE MET 125 9.858 -2.190 -8.214 950 H ILE 126 H ILE 126 7.891 -1.925 -4.852 951 HA ILE 126 HA ILE 126 5.669 -0.780 -6.034 952 HB ILE 126 HB ILE 126 6.023 -3.225 -5.703 953 HG12 ILE 126 1HG1 ILE 126 3.345 -2.488 -4.562 954 HG13 ILE 126 2HG1 ILE 126 3.770 -2.020 -6.205 955 HG21 ILE 126 1HG2 ILE 126 5.865 -2.422 -2.927 956 HG22 ILE 126 2HG2 ILE 126 4.739 -3.726 -3.299 957 HG23 ILE 126 3HG2 ILE 126 6.459 -3.924 -3.634 958 HD11 ILE 126 1HD1 ILE 126 3.843 -4.848 -5.189 959 HD12 ILE 126 2HD1 ILE 126 2.476 -4.128 -6.040 960 HD13 ILE 126 3HD1 ILE 126 4.030 -4.301 -6.855 961 H PHE 127 H PHE 127 6.787 -0.503 -2.786 962 HA PHE 127 HA PHE 127 4.226 0.509 -1.826 963 HB2 PHE 127 1HB PHE 127 6.858 0.030 -0.419 964 HB3 PHE 127 2HB PHE 127 5.423 0.679 0.368 965 HD1 PHE 127 2HD PHE 127 3.303 -0.972 -0.813 966 HD2 PHE 127 1HD PHE 127 7.188 -2.043 0.556 967 HE1 PHE 127 2HE PHE 127 2.512 -3.259 -0.370 968 HE2 PHE 127 1HE PHE 127 6.404 -4.332 1.001 969 HZ PHE 127 HZ PHE 127 4.063 -4.943 0.539 970 H SER 128 H SER 128 7.535 1.611 -2.399 971 HA SER 128 HA SER 128 7.216 4.230 -1.422 972 HB2 SER 128 1HB SER 128 9.141 2.925 -3.318 973 HB3 SER 128 2HB SER 128 9.167 4.675 -3.108 974 HG SER 128 HG SER 128 10.560 3.370 -1.675 975 H GLU 129 H GLU 129 6.952 2.928 -4.721 976 HA GLU 129 HA GLU 129 5.762 5.468 -5.584 977 HB2 GLU 129 1HB GLU 129 7.722 4.155 -6.792 978 HB3 GLU 129 2HB GLU 129 6.381 3.264 -7.498 979 HG2 GLU 129 1HG GLU 129 6.777 6.244 -7.637 980 HG3 GLU 129 2HG GLU 129 7.109 5.094 -8.931 981 H ASP 130 H ASP 130 3.626 5.543 -5.413 982 HA ASP 130 HA ASP 130 1.894 3.416 -5.051 983 HB2 ASP 130 1HB ASP 130 0.881 5.404 -4.518 984 HB3 ASP 130 2HB ASP 130 1.573 6.250 -5.900 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -0.477 22.312 19.612 2 HA2 GLY 1 1HA GLY 1 -0.905 20.262 17.707 3 HA3 GLY 1 2HA GLY 1 -1.941 21.634 17.342 4 H SER 2 H SER 2 1.455 20.929 18.157 5 HA SER 2 HA SER 2 2.643 23.230 17.266 6 HB2 SER 2 1HB SER 2 4.652 21.806 16.761 7 HB3 SER 2 2HB SER 2 3.956 21.532 18.358 8 HG SER 2 HG SER 2 2.759 19.764 17.242 9 H GLU 3 H GLU 3 3.536 23.944 15.314 10 HA GLU 3 HA GLU 3 2.085 23.048 12.962 11 HB2 GLU 3 1HB GLU 3 3.750 25.435 13.649 12 HB3 GLU 3 2HB GLU 3 3.509 25.024 11.957 13 HG2 GLU 3 1HG GLU 3 1.186 25.283 13.823 14 HG3 GLU 3 2HG GLU 3 1.912 26.700 13.066 15 H GLY 4 H GLY 4 3.279 22.835 10.874 16 HA2 GLY 4 1HA GLY 4 4.864 21.804 9.571 17 HA3 GLY 4 2HA GLY 4 6.044 22.287 10.781 18 H ALA 5 H ALA 5 3.287 20.024 10.754 19 HA ALA 5 HA ALA 5 5.125 17.955 11.772 20 HB1 ALA 5 1HB ALA 5 2.165 18.137 12.309 21 HB2 ALA 5 2HB ALA 5 3.314 17.004 13.024 22 HB3 ALA 5 3HB ALA 5 3.415 18.723 13.406 23 H ALA 6 H ALA 6 5.545 16.476 10.277 24 HA ALA 6 HA ALA 6 3.650 15.993 8.116 25 HB1 ALA 6 1HB ALA 6 5.399 15.276 6.873 26 HB2 ALA 6 2HB ALA 6 6.316 16.223 8.047 27 HB3 ALA 6 3HB ALA 6 6.183 14.474 8.236 28 H THR 7 H THR 7 2.391 14.245 7.959 29 HA THR 7 HA THR 7 2.525 12.256 10.094 30 HB THR 7 HB THR 7 0.395 12.594 7.976 31 HG1 THR 7 1HG THR 7 0.854 14.318 9.736 32 HG21 THR 7 1HG2 THR 7 -0.656 10.837 8.883 33 HG22 THR 7 2HG2 THR 7 -0.355 11.407 10.525 34 HG23 THR 7 3HG2 THR 7 0.874 10.469 9.678 35 H MET 8 H MET 8 3.221 10.234 9.799 36 HA MET 8 HA MET 8 4.308 9.462 7.256 37 HB2 MET 8 1HB MET 8 5.166 7.543 8.380 38 HB3 MET 8 2HB MET 8 5.329 8.899 9.488 39 HG2 MET 8 1HG MET 8 2.889 7.213 9.661 40 HG3 MET 8 2HG MET 8 4.409 6.571 10.281 41 HE1 MET 8 1HE MET 8 2.046 7.205 12.866 42 HE2 MET 8 2HE MET 8 1.417 8.771 12.353 43 HE3 MET 8 3HE MET 8 1.500 7.434 11.204 44 H ALA 9 H ALA 9 3.878 6.994 6.680 45 HA ALA 9 HA ALA 9 1.103 6.886 5.907 46 HB1 ALA 9 1HB ALA 9 3.100 4.704 5.419 47 HB2 ALA 9 2HB ALA 9 1.707 5.173 4.444 48 HB3 ALA 9 3HB ALA 9 3.136 6.206 4.494 49 H THR 10 H THR 10 -0.262 5.017 6.252 50 HA THR 10 HA THR 10 0.259 3.727 8.850 51 HB THR 10 HB THR 10 -2.279 3.459 8.930 52 HG1 THR 10 1HG THR 10 -3.340 5.168 7.653 53 HG21 THR 10 1HG2 THR 10 -1.578 6.361 8.954 54 HG22 THR 10 2HG2 THR 10 -0.741 5.268 10.058 55 HG23 THR 10 3HG2 THR 10 -2.497 5.415 10.125 56 H PHE 11 H PHE 11 0.548 1.603 8.807 57 HA PHE 11 HA PHE 11 -0.628 0.068 6.583 58 HB2 PHE 11 1HB PHE 11 1.312 -1.139 6.269 59 HB3 PHE 11 2HB PHE 11 1.981 0.422 6.732 60 HD1 PHE 11 2HD PHE 11 3.032 0.738 8.887 61 HD2 PHE 11 1HD PHE 11 1.416 -3.035 7.760 62 HE1 PHE 11 2HE PHE 11 4.252 -0.334 10.736 63 HE2 PHE 11 1HE PHE 11 2.632 -4.112 9.607 64 HZ PHE 11 HZ PHE 11 4.054 -2.762 11.097 65 H GLU 12 H GLU 12 -2.039 -1.418 7.207 66 HA GLU 12 HA GLU 12 -1.946 -2.360 9.994 67 HB2 GLU 12 1HB GLU 12 -3.998 -1.148 9.342 68 HB3 GLU 12 2HB GLU 12 -4.282 -2.333 8.075 69 HG2 GLU 12 1HG GLU 12 -5.677 -3.011 9.799 70 HG3 GLU 12 2HG GLU 12 -4.275 -4.068 9.952 71 H GLU 13 H GLU 13 -1.516 -4.431 10.390 72 HA GLU 13 HA GLU 13 -1.172 -6.242 8.138 73 HB2 GLU 13 1HB GLU 13 0.408 -5.865 10.234 74 HB3 GLU 13 2HB GLU 13 -0.644 -7.077 10.953 75 HG2 GLU 13 1HG GLU 13 -0.130 -8.368 8.722 76 HG3 GLU 13 2HG GLU 13 1.295 -7.330 8.717 77 H VAL 14 H VAL 14 -2.702 -7.612 7.538 78 HA VAL 14 HA VAL 14 -4.682 -8.484 9.543 79 HB VAL 14 HB VAL 14 -5.120 -8.089 6.579 80 HG11 VAL 14 1HG1 VAL 14 -7.015 -8.964 8.756 81 HG12 VAL 14 2HG1 VAL 14 -7.481 -8.569 7.100 82 HG13 VAL 14 3HG1 VAL 14 -6.426 -9.948 7.417 83 HG21 VAL 14 1HG2 VAL 14 -5.916 -6.481 8.989 84 HG22 VAL 14 2HG2 VAL 14 -5.054 -5.946 7.547 85 HG23 VAL 14 3HG2 VAL 14 -6.768 -6.351 7.450 86 H SER 15 H SER 15 -5.561 -10.619 9.267 87 HA SER 15 HA SER 15 -3.895 -12.424 7.649 88 HB2 SER 15 1HB SER 15 -3.083 -12.573 9.943 89 HB3 SER 15 2HB SER 15 -4.722 -12.855 10.530 90 HG SER 15 HG SER 15 -3.064 -14.690 9.915 91 H VAL 16 H VAL 16 -5.109 -13.548 6.294 92 HA VAL 16 HA VAL 16 -7.779 -14.422 7.157 93 HB VAL 16 HB VAL 16 -8.625 -13.991 4.847 94 HG11 VAL 16 1HG1 VAL 16 -9.502 -12.332 6.072 95 HG12 VAL 16 2HG1 VAL 16 -7.969 -11.984 6.873 96 HG13 VAL 16 3HG1 VAL 16 -8.302 -11.315 5.276 97 HG21 VAL 16 1HG2 VAL 16 -7.261 -12.142 3.643 98 HG22 VAL 16 2HG2 VAL 16 -5.906 -12.768 4.582 99 HG23 VAL 16 3HG2 VAL 16 -6.770 -13.827 3.467 100 H LEU 17 H LEU 17 -8.595 -16.280 6.022 101 HA LEU 17 HA LEU 17 -6.568 -17.811 4.545 102 HB2 LEU 17 1HB LEU 17 -6.895 -18.405 7.057 103 HB3 LEU 17 2HB LEU 17 -8.382 -19.168 6.498 104 HG LEU 17 HG LEU 17 -5.720 -19.875 5.304 105 HD11 LEU 17 1HD1 LEU 17 -5.157 -20.491 7.413 106 HD12 LEU 17 2HD1 LEU 17 -6.102 -21.912 6.969 107 HD13 LEU 17 3HD1 LEU 17 -6.834 -20.636 7.942 108 HD21 LEU 17 1HD2 LEU 17 -7.069 -22.086 5.109 109 HD22 LEU 17 2HD2 LEU 17 -7.400 -20.765 3.988 110 HD23 LEU 17 3HD2 LEU 17 -8.471 -21.046 5.362 111 H GLY 18 H GLY 18 -7.356 -18.272 2.605 112 HA2 GLY 18 1HA GLY 18 -8.896 -19.547 1.271 113 HA3 GLY 18 2HA GLY 18 -10.171 -19.111 2.400 114 H PHE 19 H PHE 19 -11.141 -18.665 0.167 115 HA PHE 19 HA PHE 19 -10.319 -16.130 -0.991 116 HB2 PHE 19 1HB PHE 19 -11.119 -18.215 -2.296 117 HB3 PHE 19 2HB PHE 19 -12.738 -17.711 -1.822 118 HD1 PHE 19 2HD PHE 19 -13.364 -15.247 -2.370 119 HD2 PHE 19 1HD PHE 19 -10.192 -17.386 -4.235 120 HE1 PHE 19 2HE PHE 19 -13.437 -13.689 -4.273 121 HE2 PHE 19 1HE PHE 19 -10.259 -15.830 -6.141 122 HZ PHE 19 HZ PHE 19 -11.884 -13.980 -6.162 123 H GLU 20 H GLU 20 -13.333 -17.497 0.339 124 HA GLU 20 HA GLU 20 -14.925 -15.278 0.334 125 HB2 GLU 20 1HB GLU 20 -14.728 -17.356 2.522 126 HB3 GLU 20 2HB GLU 20 -16.070 -16.240 2.309 127 HG2 GLU 20 1HG GLU 20 -15.292 -18.000 0.041 128 HG3 GLU 20 2HG GLU 20 -16.183 -18.691 1.396 129 H GLU 21 H GLU 21 -13.009 -16.276 3.178 130 HA GLU 21 HA GLU 21 -13.372 -13.992 4.690 131 HB2 GLU 21 1HB GLU 21 -11.108 -15.968 4.554 132 HB3 GLU 21 2HB GLU 21 -11.070 -14.614 5.674 133 HG2 GLU 21 1HG GLU 21 -13.355 -15.457 6.467 134 HG3 GLU 21 2HG GLU 21 -12.947 -16.944 5.612 135 H PHE 22 H PHE 22 -10.855 -14.670 2.287 136 HA PHE 22 HA PHE 22 -9.313 -12.383 2.612 137 HB2 PHE 22 1HB PHE 22 -8.398 -14.027 1.215 138 HB3 PHE 22 2HB PHE 22 -9.864 -14.155 0.249 139 HD1 PHE 22 2HD PHE 22 -7.970 -11.114 1.224 140 HD2 PHE 22 1HD PHE 22 -9.158 -13.726 -1.919 141 HE1 PHE 22 2HE PHE 22 -7.014 -9.559 -0.425 142 HE2 PHE 22 1HE PHE 22 -8.204 -12.176 -3.574 143 HZ PHE 22 HZ PHE 22 -7.131 -10.088 -2.828 144 H ASP 23 H ASP 23 -11.693 -12.855 -0.003 145 HA ASP 23 HA ASP 23 -11.826 -10.325 -0.988 146 HB2 ASP 23 1HB ASP 23 -13.168 -12.504 -1.592 147 HB3 ASP 23 2HB ASP 23 -14.407 -11.783 -0.568 148 H LYS 24 H LYS 24 -13.772 -11.564 1.724 149 HA LYS 24 HA LYS 24 -15.251 -9.327 2.318 150 HB2 LYS 24 1HB LYS 24 -15.422 -11.558 3.438 151 HB3 LYS 24 2HB LYS 24 -13.986 -11.152 4.368 152 HG2 LYS 24 1HG LYS 24 -15.586 -10.551 5.862 153 HG3 LYS 24 2HG LYS 24 -15.420 -9.025 4.991 154 HD2 LYS 24 1HD LYS 24 -17.691 -9.243 4.931 155 HD3 LYS 24 2HD LYS 24 -17.281 -10.123 3.456 156 HE2 LYS 24 1HE LYS 24 -18.810 -11.501 4.590 157 HE3 LYS 24 2HE LYS 24 -17.228 -12.212 4.904 158 HZ1 LYS 24 1HZ LYS 24 -18.647 -12.073 6.893 159 HZ2 LYS 24 2HZ LYS 24 -18.645 -10.387 6.767 160 HZ3 LYS 24 3HZ LYS 24 -17.201 -11.214 7.068 161 H ALA 25 H ALA 25 -12.054 -10.140 3.672 162 HA ALA 25 HA ALA 25 -11.687 -7.840 5.190 163 HB1 ALA 25 1HB ALA 25 -9.336 -9.041 3.817 164 HB2 ALA 25 2HB ALA 25 -9.531 -8.539 5.497 165 HB3 ALA 25 3HB ALA 25 -10.264 -10.041 4.935 166 H VAL 26 H VAL 26 -11.034 -8.428 1.772 167 HA VAL 26 HA VAL 26 -9.690 -5.979 1.281 168 HB VAL 26 HB VAL 26 -11.188 -7.759 -0.648 169 HG11 VAL 26 1HG1 VAL 26 -10.313 -6.565 -2.409 170 HG12 VAL 26 2HG1 VAL 26 -10.626 -5.275 -1.247 171 HG13 VAL 26 3HG1 VAL 26 -8.991 -5.906 -1.447 172 HG21 VAL 26 1HG2 VAL 26 -9.475 -9.164 -0.503 173 HG22 VAL 26 2HG2 VAL 26 -8.354 -7.870 -0.923 174 HG23 VAL 26 3HG2 VAL 26 -8.769 -8.162 0.765 175 H LYS 27 H LYS 27 -12.931 -6.976 0.167 176 HA LYS 27 HA LYS 27 -13.859 -4.551 -0.694 177 HB2 LYS 27 1HB LYS 27 -15.348 -6.794 0.670 178 HB3 LYS 27 2HB LYS 27 -16.158 -5.412 -0.057 179 HG2 LYS 27 1HG LYS 27 -14.306 -7.236 -1.570 180 HG3 LYS 27 2HG LYS 27 -16.055 -7.460 -1.485 181 HD2 LYS 27 1HD LYS 27 -16.451 -5.380 -2.580 182 HD3 LYS 27 2HD LYS 27 -14.752 -4.920 -2.450 183 HE2 LYS 27 1HE LYS 27 -14.142 -6.752 -3.949 184 HE3 LYS 27 2HE LYS 27 -15.836 -7.226 -4.067 185 HZ1 LYS 27 1HZ LYS 27 -16.358 -5.209 -5.172 186 HZ2 LYS 27 2HZ LYS 27 -15.000 -5.852 -5.949 187 HZ3 LYS 27 3HZ LYS 27 -14.826 -4.557 -4.875 188 H GLU 28 H GLU 28 -13.202 -5.501 2.535 189 HA GLU 28 HA GLU 28 -14.895 -3.523 3.774 190 HB2 GLU 28 1HB GLU 28 -12.938 -5.562 4.720 191 HB3 GLU 28 2HB GLU 28 -13.292 -4.207 5.782 192 HG2 GLU 28 1HG GLU 28 -15.383 -6.018 4.603 193 HG3 GLU 28 2HG GLU 28 -14.669 -6.229 6.201 194 H HIS 29 H HIS 29 -11.489 -3.857 2.940 195 HA HIS 29 HA HIS 29 -10.940 -1.184 4.005 196 HB2 HIS 29 1HB HIS 29 -8.985 -3.185 2.857 197 HB3 HIS 29 2HB HIS 29 -8.595 -1.723 3.759 198 HD1 HIS 29 1HD HIS 29 -10.049 -1.860 6.272 199 HD2 HIS 29 2HD HIS 29 -8.618 -5.314 4.461 200 HE1 HIS 29 1HE HIS 29 -9.896 -3.569 8.110 201 HE2 HIS 29 2HE HIS 29 -8.947 -5.625 7.007 202 H GLU 30 H GLU 30 -12.304 -2.151 1.349 203 HA GLU 30 HA GLU 30 -10.842 -1.450 -0.863 204 HB2 GLU 30 1HB GLU 30 -12.942 -0.941 -1.968 205 HB3 GLU 30 2HB GLU 30 -13.137 -2.351 -0.936 206 HG2 GLU 30 1HG GLU 30 -14.152 -0.904 0.788 207 HG3 GLU 30 2HG GLU 30 -14.035 0.456 -0.327 208 H SER 31 H SER 31 -12.583 0.702 1.343 209 HA SER 31 HA SER 31 -12.461 3.103 0.085 210 HB2 SER 31 1HB SER 31 -11.727 2.714 2.995 211 HB3 SER 31 2HB SER 31 -12.403 4.167 2.259 212 HG SER 31 HG SER 31 -13.984 2.081 1.709 213 H LYS 32 H LYS 32 -9.790 1.325 1.464 214 HA LYS 32 HA LYS 32 -7.953 3.365 0.397 215 HB2 LYS 32 1HB LYS 32 -7.269 1.709 2.810 216 HB3 LYS 32 2HB LYS 32 -6.528 3.205 2.256 217 HG2 LYS 32 1HG LYS 32 -8.138 4.516 3.193 218 HG3 LYS 32 2HG LYS 32 -9.389 3.279 3.044 219 HD2 LYS 32 1HD LYS 32 -9.045 3.226 5.306 220 HD3 LYS 32 2HD LYS 32 -7.865 2.018 4.791 221 HE2 LYS 32 1HE LYS 32 -7.022 4.871 4.956 222 HE3 LYS 32 2HE LYS 32 -7.207 3.956 6.451 223 HZ1 LYS 32 1HZ LYS 32 -5.308 2.901 6.076 224 HZ2 LYS 32 2HZ LYS 32 -5.019 3.968 4.795 225 HZ3 LYS 32 3HZ LYS 32 -5.758 2.475 4.502 226 H THR 33 H THR 33 -5.727 2.467 0.015 227 HA THR 33 HA THR 33 -5.760 0.409 -1.816 228 HB THR 33 HB THR 33 -3.462 1.374 -0.108 229 HG1 THR 33 1HG THR 33 -4.383 2.887 -1.600 230 HG21 THR 33 1HG2 THR 33 -1.983 0.297 -1.730 231 HG22 THR 33 2HG2 THR 33 -3.381 -0.369 -2.574 232 HG23 THR 33 3HG2 THR 33 -3.010 -0.893 -0.932 233 H ILE 34 H ILE 34 -5.089 -1.766 -1.778 234 HA ILE 34 HA ILE 34 -4.939 -3.029 0.869 235 HB ILE 34 HB ILE 34 -6.708 -3.912 -1.410 236 HG12 ILE 34 1HG1 ILE 34 -7.558 -3.508 1.436 237 HG13 ILE 34 2HG1 ILE 34 -7.390 -2.117 0.372 238 HG21 ILE 34 1HG2 ILE 34 -5.829 -5.366 1.066 239 HG22 ILE 34 2HG2 ILE 34 -7.316 -5.777 0.213 240 HG23 ILE 34 3HG2 ILE 34 -5.762 -5.909 -0.611 241 HD11 ILE 34 1HD1 ILE 34 -9.660 -2.772 0.326 242 HD12 ILE 34 2HD1 ILE 34 -8.953 -3.271 -1.211 243 HD13 ILE 34 3HD1 ILE 34 -9.237 -4.462 0.058 244 H PHE 35 H PHE 35 -3.518 -4.690 1.038 245 HA PHE 35 HA PHE 35 -2.153 -5.545 -1.429 246 HB2 PHE 35 1HB PHE 35 -1.031 -4.770 1.244 247 HB3 PHE 35 2HB PHE 35 -0.158 -5.899 0.213 248 HD1 PHE 35 2HD PHE 35 0.487 -5.154 -2.110 249 HD2 PHE 35 1HD PHE 35 -0.928 -2.466 0.871 250 HE1 PHE 35 2HE PHE 35 1.453 -3.267 -3.358 251 HE2 PHE 35 1HE PHE 35 0.035 -0.574 -0.373 252 HZ PHE 35 HZ PHE 35 1.228 -0.973 -2.490 253 H ALA 36 H ALA 36 -2.833 -7.553 -1.821 254 HA ALA 36 HA ALA 36 -3.301 -9.390 0.405 255 HB1 ALA 36 1HB ALA 36 -3.972 -10.812 -1.798 256 HB2 ALA 36 2HB ALA 36 -5.083 -9.766 -0.913 257 HB3 ALA 36 3HB ALA 36 -4.272 -9.167 -2.360 258 H TYR 37 H TYR 37 -1.805 -10.805 1.000 259 HA TYR 37 HA TYR 37 0.376 -11.421 -0.871 260 HB2 TYR 37 1HB TYR 37 1.057 -10.393 1.259 261 HB3 TYR 37 2HB TYR 37 0.286 -11.707 2.141 262 HD1 TYR 37 1HD TYR 37 2.661 -11.473 -0.746 263 HD2 TYR 37 2HD TYR 37 1.795 -13.181 3.054 264 HE1 TYR 37 1HE TYR 37 4.751 -12.764 -0.857 265 HE2 TYR 37 2HE TYR 37 3.884 -14.476 2.954 266 HH TYR 37 HH TYR 37 5.406 -15.360 0.954 267 H PHE 38 H PHE 38 -0.837 -13.026 -1.990 268 HA PHE 38 HA PHE 38 -1.974 -15.272 -0.668 269 HB2 PHE 38 1HB PHE 38 -1.078 -15.106 -3.549 270 HB3 PHE 38 2HB PHE 38 -2.272 -16.206 -2.870 271 HD1 PHE 38 1HD PHE 38 -4.361 -15.122 -1.805 272 HD2 PHE 38 2HD PHE 38 -1.754 -13.114 -4.503 273 HE1 PHE 38 1HE PHE 38 -6.144 -13.507 -2.320 274 HE2 PHE 38 2HE PHE 38 -3.532 -11.494 -5.022 275 HZ PHE 38 HZ PHE 38 -5.730 -11.689 -3.929 276 H SER 39 H SER 39 -0.593 -16.378 0.625 277 HA SER 39 HA SER 39 1.703 -17.657 -0.701 278 HB2 SER 39 1HB SER 39 2.876 -16.211 0.662 279 HB3 SER 39 2HB SER 39 1.610 -16.171 1.889 280 HG SER 39 HG SER 39 2.233 -18.282 2.494 281 H GLY 40 H GLY 40 2.326 -19.721 0.185 282 HA2 GLY 40 1HA GLY 40 0.237 -21.492 0.575 283 HA3 GLY 40 2HA GLY 40 1.904 -21.815 1.029 284 H SER 41 H SER 41 -0.396 -22.760 2.409 285 HA SER 41 HA SER 41 -1.095 -21.232 4.647 286 HB2 SER 41 1HB SER 41 -1.875 -23.327 5.631 287 HB3 SER 41 2HB SER 41 -2.310 -23.264 3.923 288 HG SER 41 HG SER 41 -1.360 -25.144 3.883 289 H LYS 42 H LYS 42 -0.454 -21.476 6.868 290 HA LYS 42 HA LYS 42 2.422 -22.002 7.122 291 HB2 LYS 42 1HB LYS 42 0.581 -20.471 8.968 292 HB3 LYS 42 2HB LYS 42 2.325 -20.619 9.139 293 HG2 LYS 42 1HG LYS 42 2.411 -19.561 6.785 294 HG3 LYS 42 2HG LYS 42 0.751 -19.068 7.126 295 HD2 LYS 42 1HD LYS 42 2.958 -18.520 9.081 296 HD3 LYS 42 2HD LYS 42 2.670 -17.444 7.711 297 HE2 LYS 42 1HE LYS 42 0.346 -17.151 8.453 298 HE3 LYS 42 2HE LYS 42 0.663 -18.199 9.835 299 HZ1 LYS 42 1HZ LYS 42 1.474 -16.483 10.947 300 HZ2 LYS 42 2HZ LYS 42 1.053 -15.460 9.668 301 HZ3 LYS 42 3HZ LYS 42 2.598 -16.148 9.727 302 H ASP 43 H ASP 43 3.233 -23.144 8.950 303 HA ASP 43 HA ASP 43 1.510 -25.331 9.746 304 HB2 ASP 43 1HB ASP 43 4.047 -25.405 9.075 305 HB3 ASP 43 2HB ASP 43 4.304 -24.982 10.765 306 H THR 44 H THR 44 2.217 -26.053 12.199 307 HA THR 44 HA THR 44 0.724 -24.382 13.879 308 HB THR 44 HB THR 44 1.010 -26.761 14.355 309 HG1 THR 44 1HG THR 44 1.678 -24.800 16.234 310 HG21 THR 44 1HG2 THR 44 3.866 -26.042 15.030 311 HG22 THR 44 2HG2 THR 44 3.343 -27.002 13.646 312 HG23 THR 44 3HG2 THR 44 3.109 -27.614 15.282 313 H GLU 45 H GLU 45 4.191 -24.621 13.320 314 HA GLU 45 HA GLU 45 4.876 -22.822 15.453 315 HB2 GLU 45 1HB GLU 45 6.306 -24.690 14.242 316 HB3 GLU 45 2HB GLU 45 6.730 -23.359 13.175 317 HG2 GLU 45 1HG GLU 45 8.414 -23.473 14.821 318 HG3 GLU 45 2HG GLU 45 7.419 -22.072 15.214 319 H GLY 46 H GLY 46 3.953 -22.523 12.140 320 HA2 GLY 46 1HA GLY 46 3.141 -20.380 11.369 321 HA3 GLY 46 2HA GLY 46 4.397 -19.614 12.331 322 H LYS 47 H LYS 47 4.929 -22.422 10.298 323 HA LYS 47 HA LYS 47 6.464 -20.723 8.443 324 HB2 LYS 47 1HB LYS 47 7.197 -23.414 9.596 325 HB3 LYS 47 2HB LYS 47 8.004 -22.720 8.196 326 HG2 LYS 47 1HG LYS 47 8.323 -20.670 9.815 327 HG3 LYS 47 2HG LYS 47 8.125 -21.914 11.053 328 HD2 LYS 47 1HD LYS 47 10.042 -22.278 8.773 329 HD3 LYS 47 2HD LYS 47 10.503 -21.382 10.223 330 HE2 LYS 47 1HE LYS 47 9.958 -23.336 11.595 331 HE3 LYS 47 2HE LYS 47 9.501 -24.227 10.145 332 HZ1 LYS 47 1HZ LYS 47 11.958 -23.457 9.492 333 HZ2 LYS 47 2HZ LYS 47 11.623 -24.920 10.271 334 HZ3 LYS 47 3HZ LYS 47 12.140 -23.583 11.169 335 H SER 48 H SER 48 5.917 -20.910 6.371 336 HA SER 48 HA SER 48 3.887 -22.797 5.591 337 HB2 SER 48 1HB SER 48 3.895 -20.464 4.752 338 HB3 SER 48 2HB SER 48 5.403 -20.794 3.899 339 HG SER 48 HG SER 48 3.035 -22.290 3.483 340 H TRP 49 H TRP 49 4.064 -24.461 4.110 341 HA TRP 49 HA TRP 49 6.254 -26.094 4.160 342 HB2 TRP 49 1HB TRP 49 5.337 -27.013 1.935 343 HB3 TRP 49 2HB TRP 49 4.272 -27.044 3.338 344 HD1 TRP 49 HD TRP 49 2.248 -25.233 3.373 345 HE1 TRP 49 1HE TRP 49 1.024 -24.048 1.443 346 HE3 TRP 49 3HE TRP 49 5.638 -26.053 -0.365 347 HZ2 TRP 49 2HZ TRP 49 1.439 -23.531 -1.300 348 HZ3 TRP 49 3HZ TRP 49 5.149 -25.180 -2.613 349 HH2 TRP 49 HH TRP 49 3.092 -23.946 -3.069 350 H CYS 50 H CYS 50 5.519 -23.606 1.742 351 HA CYS 50 HA CYS 50 7.798 -24.117 0.130 352 HB2 CYS 50 1HB CYS 50 5.896 -22.967 -0.815 353 HB3 CYS 50 2HB CYS 50 6.030 -21.678 0.375 354 HG CYS 50 HG CYS 50 8.557 -22.283 -1.832 355 HA PRO 51 HA PRO 51 10.858 -22.284 2.767 356 HB2 PRO 51 1HB PRO 51 12.906 -22.393 0.988 357 HB3 PRO 51 2HB PRO 51 12.317 -23.812 1.862 358 HG2 PRO 51 1HG PRO 51 11.717 -22.926 -0.934 359 HG3 PRO 51 2HG PRO 51 12.071 -24.554 -0.328 360 HD2 PRO 51 1HD PRO 51 9.552 -23.709 -0.848 361 HD3 PRO 51 2HD PRO 51 9.922 -24.871 0.442 362 H ASP 52 H ASP 52 10.062 -21.134 -0.447 363 HA ASP 52 HA ASP 52 11.571 -18.723 -0.312 364 HB2 ASP 52 1HB ASP 52 9.135 -19.273 -2.015 365 HB3 ASP 52 2HB ASP 52 10.387 -18.069 -2.308 366 H CYS 53 H CYS 53 8.142 -19.489 0.217 367 HA CYS 53 HA CYS 53 7.187 -16.942 0.719 368 HB2 CYS 53 1HB CYS 53 6.372 -19.678 1.587 369 HB3 CYS 53 2HB CYS 53 5.621 -18.299 2.381 370 HG CYS 53 HG CYS 53 4.756 -19.691 -0.392 371 H VAL 54 H VAL 54 9.028 -19.077 2.789 372 HA VAL 54 HA VAL 54 8.621 -17.524 5.172 373 HB VAL 54 HB VAL 54 10.584 -19.727 4.534 374 HG11 VAL 54 1HG1 VAL 54 11.671 -18.525 6.212 375 HG12 VAL 54 2HG1 VAL 54 10.162 -18.125 7.035 376 HG13 VAL 54 3HG1 VAL 54 10.790 -19.773 7.094 377 HG21 VAL 54 1HG2 VAL 54 9.076 -21.194 5.353 378 HG22 VAL 54 2HG2 VAL 54 8.476 -20.066 6.568 379 HG23 VAL 54 3HG2 VAL 54 7.921 -19.941 4.899 380 H GLU 55 H GLU 55 10.858 -17.520 2.526 381 HA GLU 55 HA GLU 55 12.793 -15.864 3.919 382 HB2 GLU 55 1HB GLU 55 13.398 -17.645 2.211 383 HB3 GLU 55 2HB GLU 55 12.765 -16.556 0.984 384 HG2 GLU 55 1HG GLU 55 14.441 -14.964 1.374 385 HG3 GLU 55 2HG GLU 55 14.909 -15.711 2.901 386 H ALA 56 H ALA 56 10.132 -15.514 1.715 387 HA ALA 56 HA ALA 56 10.806 -12.795 0.990 388 HB1 ALA 56 1HB ALA 56 8.098 -13.460 0.361 389 HB2 ALA 56 2HB ALA 56 9.462 -13.197 -0.727 390 HB3 ALA 56 3HB ALA 56 9.151 -14.806 -0.076 391 H GLU 57 H GLU 57 8.694 -14.453 3.243 392 HA GLU 57 HA GLU 57 6.867 -12.596 3.981 393 HB2 GLU 57 1HB GLU 57 6.639 -14.466 5.265 394 HB3 GLU 57 2HB GLU 57 8.374 -14.671 5.463 395 HG2 GLU 57 1HG GLU 57 7.273 -14.168 7.577 396 HG3 GLU 57 2HG GLU 57 8.422 -12.910 7.125 397 HA PRO 58 HA PRO 58 9.993 -10.326 6.885 398 HB2 PRO 58 1HB PRO 58 12.616 -10.980 6.644 399 HB3 PRO 58 2HB PRO 58 11.518 -11.807 7.755 400 HG2 PRO 58 1HG PRO 58 12.449 -12.648 5.037 401 HG3 PRO 58 2HG PRO 58 12.275 -13.619 6.510 402 HD2 PRO 58 1HD PRO 58 10.437 -13.645 4.522 403 HD3 PRO 58 2HD PRO 58 10.001 -13.867 6.228 404 H VAL 59 H VAL 59 10.506 -11.032 3.580 405 HA VAL 59 HA VAL 59 12.136 -8.667 3.096 406 HB VAL 59 HB VAL 59 10.993 -10.571 1.052 407 HG11 VAL 59 1HG1 VAL 59 12.527 -8.149 0.895 408 HG12 VAL 59 2HG1 VAL 59 13.446 -9.499 0.227 409 HG13 VAL 59 3HG1 VAL 59 11.842 -9.125 -0.404 410 HG21 VAL 59 1HG2 VAL 59 12.771 -11.986 1.288 411 HG22 VAL 59 2HG2 VAL 59 13.830 -10.729 1.927 412 HG23 VAL 59 3HG2 VAL 59 12.598 -11.453 2.960 413 H ILE 60 H ILE 60 8.836 -9.715 2.873 414 HA ILE 60 HA ILE 60 8.057 -7.419 1.259 415 HB ILE 60 HB ILE 60 6.365 -9.622 2.446 416 HG12 ILE 60 1HG1 ILE 60 7.562 -9.198 -0.291 417 HG13 ILE 60 2HG1 ILE 60 7.771 -10.578 0.781 418 HG21 ILE 60 1HG2 ILE 60 5.240 -8.199 0.195 419 HG22 ILE 60 2HG2 ILE 60 4.544 -8.531 1.780 420 HG23 ILE 60 3HG2 ILE 60 5.571 -7.117 1.547 421 HD11 ILE 60 1HD1 ILE 60 5.127 -10.696 0.444 422 HD12 ILE 60 2HD1 ILE 60 5.580 -9.936 -1.082 423 HD13 ILE 60 3HD1 ILE 60 6.275 -11.493 -0.631 424 H ARG 61 H ARG 61 7.574 -8.696 4.527 425 HA ARG 61 HA ARG 61 5.835 -6.687 5.443 426 HB2 ARG 61 1HB ARG 61 6.642 -8.986 6.499 427 HB3 ARG 61 2HB ARG 61 7.783 -7.932 7.324 428 HG2 ARG 61 1HG ARG 61 6.096 -6.786 8.452 429 HG3 ARG 61 2HG ARG 61 4.845 -7.355 7.344 430 HD2 ARG 61 1HD ARG 61 4.709 -9.417 8.339 431 HD3 ARG 61 2HD ARG 61 6.373 -9.364 8.921 432 HE ARG 61 HE ARG 61 4.770 -7.400 10.204 433 HH11 ARG 61 2HH1 ARG 61 5.478 -10.809 10.162 434 HH12 ARG 61 1HH1 ARG 61 5.043 -11.052 11.822 435 HH21 ARG 61 2HH2 ARG 61 4.195 -7.708 12.390 436 HH22 ARG 61 1HH2 ARG 61 4.313 -9.288 13.087 437 H GLU 62 H GLU 62 9.364 -6.932 5.463 438 HA GLU 62 HA GLU 62 9.900 -4.648 6.999 439 HB2 GLU 62 1HB GLU 62 11.469 -6.135 4.910 440 HB3 GLU 62 2HB GLU 62 12.108 -4.676 5.655 441 HG2 GLU 62 1HG GLU 62 11.843 -5.750 7.870 442 HG3 GLU 62 2HG GLU 62 11.343 -7.228 7.052 443 H GLY 63 H GLY 63 9.584 -5.050 3.482 444 HA2 GLY 63 1HA GLY 63 10.126 -2.342 2.842 445 HA3 GLY 63 2HA GLY 63 9.330 -3.509 1.796 446 H LEU 64 H LEU 64 7.154 -4.066 3.605 447 HA LEU 64 HA LEU 64 5.262 -2.254 2.739 448 HB2 LEU 64 1HB LEU 64 5.383 -4.247 4.937 449 HB3 LEU 64 2HB LEU 64 4.056 -3.087 4.954 450 HG LEU 64 HG LEU 64 4.667 -4.908 2.629 451 HD11 LEU 64 1HD1 LEU 64 2.521 -5.261 4.710 452 HD12 LEU 64 2HD1 LEU 64 4.056 -6.129 4.726 453 HD13 LEU 64 3HD1 LEU 64 2.932 -6.350 3.384 454 HD21 LEU 64 1HD2 LEU 64 2.539 -4.255 1.796 455 HD22 LEU 64 2HD2 LEU 64 3.407 -2.776 2.211 456 HD23 LEU 64 3HD2 LEU 64 2.149 -3.392 3.284 457 H LYS 65 H LYS 65 7.513 -1.960 5.332 458 HA LYS 65 HA LYS 65 6.113 0.076 6.777 459 HB2 LYS 65 1HB LYS 65 8.936 -0.963 6.832 460 HB3 LYS 65 2HB LYS 65 8.459 0.436 7.785 461 HG2 LYS 65 1HG LYS 65 6.646 -1.026 8.775 462 HG3 LYS 65 2HG LYS 65 7.469 -2.389 8.013 463 HD2 LYS 65 1HD LYS 65 8.356 -2.350 10.168 464 HD3 LYS 65 2HD LYS 65 9.575 -1.511 9.206 465 HE2 LYS 65 1HE LYS 65 9.348 -0.131 11.054 466 HE3 LYS 65 2HE LYS 65 8.281 0.628 9.874 467 HZ1 LYS 65 1HZ LYS 65 7.150 -1.376 11.687 468 HZ2 LYS 65 2HZ LYS 65 6.424 -0.010 11.003 469 HZ3 LYS 65 3HZ LYS 65 7.487 0.162 12.307 470 H HIS 66 H HIS 66 8.366 0.002 4.117 471 HA HIS 66 HA HIS 66 9.065 2.769 4.220 472 HB2 HIS 66 1HB HIS 66 9.285 0.733 1.996 473 HB3 HIS 66 2HB HIS 66 9.949 2.362 1.915 474 HD1 HIS 66 1HD HIS 66 12.363 2.376 2.389 475 HD2 HIS 66 2HD HIS 66 10.400 -0.583 4.545 476 HE1 HIS 66 1HE HIS 66 14.152 1.221 3.727 477 HE2 HIS 66 2HE HIS 66 12.953 -0.620 4.959 478 H VAL 67 H VAL 67 6.394 0.987 2.977 479 HA VAL 67 HA VAL 67 5.433 2.393 0.867 480 HB VAL 67 HB VAL 67 4.337 0.460 2.202 481 HG11 VAL 67 1HG1 VAL 67 2.905 2.798 3.456 482 HG12 VAL 67 2HG1 VAL 67 2.572 1.085 3.714 483 HG13 VAL 67 3HG1 VAL 67 4.087 1.785 4.284 484 HG21 VAL 67 1HG2 VAL 67 2.059 1.989 1.415 485 HG22 VAL 67 2HG2 VAL 67 3.381 2.306 0.291 486 HG23 VAL 67 3HG2 VAL 67 2.840 0.652 0.572 487 H THR 68 H THR 68 4.395 4.301 0.476 488 HA THR 68 HA THR 68 4.248 6.198 2.730 489 HB THR 68 HB THR 68 4.841 7.994 1.291 490 HG1 THR 68 1HG THR 68 4.955 7.786 -0.924 491 HG21 THR 68 1HG2 THR 68 6.895 6.582 0.028 492 HG22 THR 68 2HG2 THR 68 6.535 5.663 1.490 493 HG23 THR 68 3HG2 THR 68 6.961 7.370 1.604 494 H GLU 69 H GLU 69 2.175 4.366 1.660 495 HA GLU 69 HA GLU 69 0.115 6.398 1.229 496 HB2 GLU 69 1HB GLU 69 -0.934 5.081 -0.552 497 HB3 GLU 69 2HB GLU 69 0.688 5.588 -1.004 498 HG2 GLU 69 1HG GLU 69 1.432 3.283 -0.176 499 HG3 GLU 69 2HG GLU 69 -0.278 2.860 -0.239 500 H ASP 70 H ASP 70 -1.327 6.143 2.787 501 HA ASP 70 HA ASP 70 -1.511 4.126 4.614 502 HB2 ASP 70 1HB ASP 70 -4.050 5.418 3.692 503 HB3 ASP 70 2HB ASP 70 -3.505 5.072 5.331 504 H CYS 71 H CYS 71 -1.424 2.040 3.935 505 HA CYS 71 HA CYS 71 -3.675 1.097 2.284 506 HB2 CYS 71 1HB CYS 71 -2.265 -0.537 1.259 507 HB3 CYS 71 2HB CYS 71 -1.427 1.006 1.150 508 HG CYS 71 HG CYS 71 -0.208 0.007 3.828 509 H VAL 72 H VAL 72 -3.962 -1.372 2.583 510 HA VAL 72 HA VAL 72 -3.634 -2.064 5.427 511 HB VAL 72 HB VAL 72 -6.107 -2.521 3.752 512 HG11 VAL 72 1HG1 VAL 72 -5.318 -3.472 6.486 513 HG12 VAL 72 2HG1 VAL 72 -7.011 -3.309 6.015 514 HG13 VAL 72 3HG1 VAL 72 -5.949 -4.405 5.129 515 HG21 VAL 72 1HG2 VAL 72 -6.875 -1.164 5.991 516 HG22 VAL 72 2HG2 VAL 72 -5.301 -0.445 5.653 517 HG23 VAL 72 3HG2 VAL 72 -6.561 -0.427 4.420 518 H PHE 73 H PHE 73 -2.050 -3.567 5.226 519 HA PHE 73 HA PHE 73 -1.776 -5.413 3.135 520 HB2 PHE 73 1HB PHE 73 0.016 -4.800 4.761 521 HB3 PHE 73 2HB PHE 73 -0.823 -5.746 5.986 522 HD1 PHE 73 2HD PHE 73 0.423 -6.157 2.491 523 HD2 PHE 73 1HD PHE 73 -0.068 -7.875 6.354 524 HE1 PHE 73 2HE PHE 73 1.615 -8.174 1.741 525 HE2 PHE 73 1HE PHE 73 1.125 -9.895 5.611 526 HZ PHE 73 HZ PHE 73 1.967 -10.047 3.302 527 H ILE 74 H ILE 74 -2.182 -7.666 3.058 528 HA ILE 74 HA ILE 74 -4.039 -8.768 5.021 529 HB ILE 74 HB ILE 74 -4.671 -8.742 2.067 530 HG12 ILE 74 1HG1 ILE 74 -6.077 -7.351 4.357 531 HG13 ILE 74 2HG1 ILE 74 -5.034 -6.556 3.183 532 HG21 ILE 74 1HG2 ILE 74 -6.576 -9.631 4.178 533 HG22 ILE 74 2HG2 ILE 74 -6.469 -10.104 2.483 534 HG23 ILE 74 3HG2 ILE 74 -5.308 -10.737 3.648 535 HD11 ILE 74 1HD1 ILE 74 -7.692 -7.864 2.693 536 HD12 ILE 74 2HD1 ILE 74 -7.269 -6.160 2.524 537 HD13 ILE 74 3HD1 ILE 74 -6.608 -7.348 1.402 538 H TYR 75 H TYR 75 -2.867 -10.473 5.657 539 HA TYR 75 HA TYR 75 -1.272 -11.994 3.787 540 HB2 TYR 75 1HB TYR 75 -0.685 -11.461 6.240 541 HB3 TYR 75 2HB TYR 75 -1.803 -12.758 6.650 542 HD1 TYR 75 1HD TYR 75 -1.362 -15.060 5.558 543 HD2 TYR 75 2HD TYR 75 1.538 -11.952 5.747 544 HE1 TYR 75 1HE TYR 75 0.424 -16.715 5.214 545 HE2 TYR 75 2HE TYR 75 3.332 -13.598 5.402 546 HH TYR 75 HH TYR 75 3.751 -15.747 4.702 547 H CYS 76 H CYS 76 -2.794 -12.900 2.385 548 HA CYS 76 HA CYS 76 -4.797 -14.698 3.519 549 HB2 CYS 76 1HB CYS 76 -5.566 -13.211 1.760 550 HB3 CYS 76 2HB CYS 76 -4.304 -13.787 0.678 551 HG CYS 76 HG CYS 76 -5.964 -15.380 -0.465 552 H GLN 77 H GLN 77 -4.730 -16.878 3.357 553 HA GLN 77 HA GLN 77 -2.293 -18.034 2.187 554 HB2 GLN 77 1HB GLN 77 -4.135 -19.136 4.315 555 HB3 GLN 77 2HB GLN 77 -2.717 -19.961 3.682 556 HG2 GLN 77 1HG GLN 77 -1.244 -18.456 4.677 557 HG3 GLN 77 2HG GLN 77 -2.503 -17.247 4.923 558 HE21 GLN 77 1HE2 GLN 77 -3.769 -17.339 6.718 559 HE22 GLN 77 2HE2 GLN 77 -3.523 -18.462 8.008 560 H VAL 78 H VAL 78 -2.512 -19.079 0.333 561 HA VAL 78 HA VAL 78 -4.945 -19.566 -0.948 562 HB VAL 78 HB VAL 78 -3.645 -21.037 -2.481 563 HG11 VAL 78 1HG1 VAL 78 -1.896 -18.683 -2.137 564 HG12 VAL 78 2HG1 VAL 78 -2.773 -19.250 -3.560 565 HG13 VAL 78 3HG1 VAL 78 -3.622 -18.358 -2.297 566 HG21 VAL 78 1HG2 VAL 78 -1.491 -20.544 -0.442 567 HG22 VAL 78 2HG2 VAL 78 -2.082 -22.087 -1.059 568 HG23 VAL 78 3HG2 VAL 78 -1.135 -21.025 -2.101 569 H GLY 79 H GLY 79 -2.785 -21.858 0.723 570 HA2 GLY 79 1HA GLY 79 -4.597 -23.346 2.076 571 HA3 GLY 79 2HA GLY 79 -4.696 -24.008 0.451 572 H ASP 80 H ASP 80 -3.837 -25.998 0.846 573 HA ASP 80 HA ASP 80 -1.227 -26.171 2.151 574 HB2 ASP 80 1HB ASP 80 -2.979 -28.433 1.175 575 HB3 ASP 80 2HB ASP 80 -1.606 -28.547 2.273 576 H LYS 81 H LYS 81 0.248 -27.930 1.129 577 HA LYS 81 HA LYS 81 1.238 -26.966 -1.278 578 HB2 LYS 81 1HB LYS 81 2.147 -28.710 0.571 579 HB3 LYS 81 2HB LYS 81 1.711 -29.834 -0.709 580 HG2 LYS 81 1HG LYS 81 3.312 -29.039 -2.144 581 HG3 LYS 81 2HG LYS 81 3.350 -27.443 -1.390 582 HD2 LYS 81 1HD LYS 81 4.616 -28.235 0.444 583 HD3 LYS 81 2HD LYS 81 4.317 -29.922 0.017 584 HE2 LYS 81 1HE LYS 81 5.841 -28.009 -1.740 585 HE3 LYS 81 2HE LYS 81 6.612 -29.044 -0.539 586 HZ1 LYS 81 1HZ LYS 81 4.854 -30.539 -2.195 587 HZ2 LYS 81 2HZ LYS 81 6.507 -30.761 -1.917 588 HZ3 LYS 81 3HZ LYS 81 5.989 -29.708 -3.135 589 HA PRO 82 HA PRO 82 -0.993 -30.674 -3.466 590 HB2 PRO 82 1HB PRO 82 -3.008 -31.856 -2.082 591 HB3 PRO 82 2HB PRO 82 -1.331 -32.407 -1.996 592 HG2 PRO 82 1HG PRO 82 -2.854 -30.670 -0.092 593 HG3 PRO 82 2HG PRO 82 -1.742 -32.006 0.258 594 HD2 PRO 82 1HD PRO 82 -0.998 -29.409 0.433 595 HD3 PRO 82 2HD PRO 82 0.129 -30.695 -0.043 596 H TYR 83 H TYR 83 -2.342 -28.109 -1.736 597 HA TYR 83 HA TYR 83 -4.888 -28.150 -3.151 598 HB2 TYR 83 1HB TYR 83 -4.920 -27.503 -0.803 599 HB3 TYR 83 2HB TYR 83 -3.767 -26.210 -1.117 600 HD1 TYR 83 1HD TYR 83 -7.246 -27.309 -1.555 601 HD2 TYR 83 2HD TYR 83 -4.468 -24.137 -2.127 602 HE1 TYR 83 1HE TYR 83 -9.109 -25.767 -2.003 603 HE2 TYR 83 2HE TYR 83 -6.323 -22.586 -2.576 604 HH TYR 83 HH TYR 83 -9.452 -23.188 -1.806 605 H TRP 84 H TRP 84 -2.151 -25.898 -2.759 606 HA TRP 84 HA TRP 84 -2.859 -23.967 -4.570 607 HB2 TRP 84 1HB TRP 84 -0.905 -23.655 -3.229 608 HB3 TRP 84 2HB TRP 84 -0.130 -25.081 -3.915 609 HD1 TRP 84 HD TRP 84 1.873 -24.218 -5.258 610 HE1 TRP 84 1HE TRP 84 2.250 -22.394 -7.035 611 HE3 TRP 84 3HE TRP 84 -2.770 -22.077 -5.222 612 HZ2 TRP 84 2HZ TRP 84 0.775 -20.321 -8.258 613 HZ3 TRP 84 3HZ TRP 84 -3.205 -20.178 -6.725 614 HH2 TRP 84 HH TRP 84 -1.468 -19.320 -8.210 615 H LYS 85 H LYS 85 -1.211 -27.034 -5.239 616 HA LYS 85 HA LYS 85 -0.625 -26.728 -7.910 617 HB2 LYS 85 1HB LYS 85 -1.578 -29.190 -6.441 618 HB3 LYS 85 2HB LYS 85 -0.930 -29.218 -8.076 619 HG2 LYS 85 1HG LYS 85 1.212 -28.550 -7.342 620 HG3 LYS 85 2HG LYS 85 0.608 -28.119 -5.741 621 HD2 LYS 85 1HD LYS 85 -0.023 -30.564 -5.480 622 HD3 LYS 85 2HD LYS 85 0.935 -30.864 -6.932 623 HE2 LYS 85 1HE LYS 85 2.153 -29.323 -4.691 624 HE3 LYS 85 2HE LYS 85 1.994 -31.071 -4.531 625 HZ1 LYS 85 1HZ LYS 85 3.481 -29.578 -6.616 626 HZ2 LYS 85 2HZ LYS 85 3.155 -31.234 -6.722 627 HZ3 LYS 85 3HZ LYS 85 4.110 -30.639 -5.459 628 H ASP 86 H ASP 86 -3.707 -27.648 -6.441 629 HA ASP 86 HA ASP 86 -5.212 -28.432 -8.553 630 HB2 ASP 86 1HB ASP 86 -6.198 -26.403 -6.543 631 HB3 ASP 86 2HB ASP 86 -7.153 -27.602 -7.411 632 HA PRO 87 HA PRO 87 -4.596 -24.876 -11.263 633 HB2 PRO 87 1HB PRO 87 -5.504 -26.142 -13.487 634 HB3 PRO 87 2HB PRO 87 -3.865 -26.356 -12.861 635 HG2 PRO 87 1HG PRO 87 -6.266 -28.111 -12.523 636 HG3 PRO 87 2HG PRO 87 -4.588 -28.566 -12.870 637 HD2 PRO 87 1HD PRO 87 -5.660 -28.736 -10.389 638 HD3 PRO 87 2HD PRO 87 -3.946 -28.368 -10.665 639 H ASN 88 H ASN 88 -7.422 -26.633 -10.400 640 HA ASN 88 HA ASN 88 -9.174 -24.734 -11.782 641 HB2 ASN 88 1HB ASN 88 -10.025 -27.161 -10.200 642 HB3 ASN 88 2HB ASN 88 -10.961 -26.266 -11.394 643 HD21 ASN 88 1HD2 ASN 88 -9.412 -29.052 -10.918 644 HD22 ASN 88 2HD2 ASN 88 -8.932 -29.429 -12.535 645 H ASN 89 H ASN 89 -7.562 -23.980 -9.465 646 HA ASN 89 HA ASN 89 -9.419 -23.753 -7.257 647 HB2 ASN 89 1HB ASN 89 -6.556 -23.078 -7.726 648 HB3 ASN 89 2HB ASN 89 -7.411 -22.175 -6.478 649 HD21 ASN 89 1HD2 ASN 89 -5.292 -23.751 -5.826 650 HD22 ASN 89 2HD2 ASN 89 -5.834 -25.128 -4.934 651 H ASP 90 H ASP 90 -10.064 -21.711 -6.342 652 HA ASP 90 HA ASP 90 -11.053 -19.903 -8.298 653 HB2 ASP 90 1HB ASP 90 -10.964 -19.692 -5.282 654 HB3 ASP 90 2HB ASP 90 -11.850 -18.593 -6.336 655 H PHE 91 H PHE 91 -8.080 -20.144 -6.697 656 HA PHE 91 HA PHE 91 -7.441 -17.340 -6.676 657 HB2 PHE 91 1HB PHE 91 -5.715 -19.797 -6.316 658 HB3 PHE 91 2HB PHE 91 -5.138 -18.144 -6.127 659 HD1 PHE 91 2HD PHE 91 -5.928 -16.760 -4.262 660 HD2 PHE 91 1HD PHE 91 -7.040 -20.851 -4.639 661 HE1 PHE 91 2HE PHE 91 -6.641 -16.780 -1.908 662 HE2 PHE 91 1HE PHE 91 -7.756 -20.877 -2.285 663 HZ PHE 91 HZ PHE 91 -7.556 -18.840 -0.916 664 H ARG 92 H ARG 92 -6.835 -20.090 -8.786 665 HA ARG 92 HA ARG 92 -5.236 -18.444 -10.589 666 HB2 ARG 92 1HB ARG 92 -6.003 -21.335 -10.974 667 HB3 ARG 92 2HB ARG 92 -4.675 -20.459 -11.725 668 HG2 ARG 92 1HG ARG 92 -3.385 -20.506 -9.798 669 HG3 ARG 92 2HG ARG 92 -4.777 -20.816 -8.758 670 HD2 ARG 92 1HD ARG 92 -4.854 -23.056 -9.304 671 HD3 ARG 92 2HD ARG 92 -4.026 -22.816 -10.841 672 HE ARG 92 HE ARG 92 -2.815 -23.238 -8.257 673 HH11 ARG 92 2HH1 ARG 92 -2.372 -22.056 -11.501 674 HH12 ARG 92 1HH1 ARG 92 -0.649 -22.242 -11.473 675 HH21 ARG 92 2HH2 ARG 92 -0.548 -23.487 -8.207 676 HH22 ARG 92 1HH2 ARG 92 0.387 -23.057 -9.599 677 H GLN 93 H GLN 93 -8.458 -19.317 -10.131 678 HA GLN 93 HA GLN 93 -9.135 -19.015 -12.965 679 HB2 GLN 93 1HB GLN 93 -10.871 -19.804 -10.619 680 HB3 GLN 93 2HB GLN 93 -11.390 -19.747 -12.299 681 HG2 GLN 93 1HG GLN 93 -9.081 -21.456 -11.467 682 HG3 GLN 93 2HG GLN 93 -10.743 -22.011 -11.265 683 HE21 GLN 93 1HE2 GLN 93 -8.351 -22.676 -13.084 684 HE22 GLN 93 2HE2 GLN 93 -9.068 -22.781 -14.652 685 H LYS 94 H LYS 94 -10.084 -17.711 -9.792 686 HA LYS 94 HA LYS 94 -11.446 -15.480 -11.052 687 HB2 LYS 94 1HB LYS 94 -10.958 -15.905 -8.104 688 HB3 LYS 94 2HB LYS 94 -12.177 -14.882 -8.853 689 HG2 LYS 94 1HG LYS 94 -12.246 -17.776 -9.487 690 HG3 LYS 94 2HG LYS 94 -12.739 -17.276 -7.867 691 HD2 LYS 94 1HD LYS 94 -14.751 -17.086 -8.909 692 HD3 LYS 94 2HD LYS 94 -14.114 -15.481 -9.277 693 HE2 LYS 94 1HE LYS 94 -13.157 -16.621 -11.397 694 HE3 LYS 94 2HE LYS 94 -14.336 -17.885 -11.050 695 HZ1 LYS 94 1HZ LYS 94 -16.083 -16.206 -11.111 696 HZ2 LYS 94 2HZ LYS 94 -15.241 -16.262 -12.576 697 HZ3 LYS 94 3HZ LYS 94 -14.944 -15.010 -11.478 698 H LEU 95 H LEU 95 -8.786 -15.863 -8.706 699 HA LEU 95 HA LEU 95 -7.967 -13.120 -9.048 700 HB2 LEU 95 1HB LEU 95 -6.800 -15.435 -7.521 701 HB3 LEU 95 2HB LEU 95 -6.059 -13.837 -7.565 702 HG LEU 95 HG LEU 95 -8.828 -14.401 -6.509 703 HD11 LEU 95 1HD1 LEU 95 -7.056 -13.581 -4.471 704 HD12 LEU 95 2HD1 LEU 95 -6.286 -14.916 -5.329 705 HD13 LEU 95 3HD1 LEU 95 -7.894 -15.124 -4.636 706 HD21 LEU 95 1HD2 LEU 95 -7.066 -11.965 -6.264 707 HD22 LEU 95 2HD2 LEU 95 -8.689 -12.161 -5.601 708 HD23 LEU 95 3HD2 LEU 95 -8.449 -12.117 -7.348 709 H LYS 96 H LYS 96 -7.288 -16.116 -10.544 710 HA LYS 96 HA LYS 96 -5.763 -16.802 -12.093 711 HB2 LYS 96 1HB LYS 96 -5.757 -13.850 -12.751 712 HB3 LYS 96 2HB LYS 96 -5.173 -15.131 -13.803 713 HG2 LYS 96 1HG LYS 96 -7.987 -15.185 -12.808 714 HG3 LYS 96 2HG LYS 96 -7.541 -14.147 -14.164 715 HD2 LYS 96 1HD LYS 96 -6.688 -17.002 -14.206 716 HD3 LYS 96 2HD LYS 96 -8.376 -16.618 -14.549 717 HE2 LYS 96 1HE LYS 96 -7.350 -16.615 -16.648 718 HE3 LYS 96 2HE LYS 96 -7.452 -14.909 -16.216 719 HZ1 LYS 96 1HZ LYS 96 -5.220 -16.122 -17.057 720 HZ2 LYS 96 2HZ LYS 96 -5.021 -16.235 -15.381 721 HZ3 LYS 96 3HZ LYS 96 -5.235 -14.722 -16.106 722 H ILE 97 H ILE 97 -4.549 -16.727 -9.732 723 HA ILE 97 HA ILE 97 -2.278 -15.031 -9.575 724 HB ILE 97 HB ILE 97 -2.774 -17.695 -8.240 725 HG12 ILE 97 1HG1 ILE 97 -4.455 -15.969 -7.701 726 HG13 ILE 97 2HG1 ILE 97 -3.457 -16.368 -6.307 727 HG21 ILE 97 1HG2 ILE 97 -0.505 -17.432 -7.983 728 HG22 ILE 97 2HG2 ILE 97 -0.600 -15.672 -7.988 729 HG23 ILE 97 3HG2 ILE 97 -1.106 -16.577 -6.563 730 HD11 ILE 97 1HD1 ILE 97 -3.777 -14.007 -6.369 731 HD12 ILE 97 2HD1 ILE 97 -2.098 -14.346 -6.789 732 HD13 ILE 97 3HD1 ILE 97 -3.256 -13.929 -8.051 733 H THR 98 H THR 98 -0.170 -15.358 -10.153 734 HA THR 98 HA THR 98 0.293 -17.285 -12.262 735 HB THR 98 HB THR 98 2.269 -15.327 -11.081 736 HG1 THR 98 1HG THR 98 0.095 -14.633 -12.190 737 HG21 THR 98 1HG2 THR 98 2.492 -17.366 -13.050 738 HG22 THR 98 2HG2 THR 98 3.709 -16.195 -12.541 739 HG23 THR 98 3HG2 THR 98 2.608 -15.806 -13.863 740 H ALA 99 H ALA 99 2.150 -16.420 -9.337 741 HA ALA 99 HA ALA 99 2.444 -19.203 -8.620 742 HB1 ALA 99 1HB ALA 99 4.976 -17.682 -9.164 743 HB2 ALA 99 2HB ALA 99 4.768 -19.409 -8.870 744 HB3 ALA 99 3HB ALA 99 4.210 -18.699 -10.384 745 H VAL 100 H VAL 100 2.392 -19.337 -6.477 746 HA VAL 100 HA VAL 100 2.576 -16.962 -4.863 747 HB VAL 100 HB VAL 100 1.973 -18.373 -2.992 748 HG11 VAL 100 1HG1 VAL 100 0.084 -19.691 -4.618 749 HG12 VAL 100 2HG1 VAL 100 -0.109 -18.174 -3.737 750 HG13 VAL 100 3HG1 VAL 100 0.460 -18.159 -5.406 751 HG21 VAL 100 1HG2 VAL 100 3.131 -20.353 -3.145 752 HG22 VAL 100 2HG2 VAL 100 1.518 -20.873 -3.636 753 HG23 VAL 100 3HG2 VAL 100 2.755 -20.567 -4.855 754 HA PRO 101 HA PRO 101 2.869 -16.573 -2.620 755 HB2 PRO 101 1HB PRO 101 4.413 -14.504 -1.783 756 HB3 PRO 101 2HB PRO 101 4.291 -16.029 -0.899 757 HG2 PRO 101 1HG PRO 101 6.424 -15.097 -2.781 758 HG3 PRO 101 2HG PRO 101 6.591 -15.935 -1.227 759 HD2 PRO 101 1HD PRO 101 6.795 -17.218 -3.603 760 HD3 PRO 101 2HD PRO 101 6.143 -17.999 -2.149 761 H THR 102 H THR 102 1.639 -14.931 -3.407 762 HA THR 102 HA THR 102 2.754 -13.370 -5.647 763 HB THR 102 HB THR 102 -0.134 -14.211 -5.353 764 HG1 THR 102 1HG THR 102 2.066 -15.422 -6.617 765 HG21 THR 102 1HG2 THR 102 0.402 -12.118 -6.655 766 HG22 THR 102 2HG2 THR 102 -0.428 -13.380 -7.566 767 HG23 THR 102 3HG2 THR 102 1.306 -13.137 -7.774 768 H LEU 103 H LEU 103 2.975 -11.307 -5.106 769 HA LEU 103 HA LEU 103 1.198 -10.150 -3.085 770 HB2 LEU 103 1HB LEU 103 3.624 -9.954 -2.747 771 HB3 LEU 103 2HB LEU 103 3.755 -9.075 -4.269 772 HG LEU 103 HG LEU 103 2.279 -7.308 -3.258 773 HD11 LEU 103 1HD1 LEU 103 2.917 -8.703 -0.667 774 HD12 LEU 103 2HD1 LEU 103 1.357 -8.804 -1.482 775 HD13 LEU 103 3HD1 LEU 103 1.947 -7.248 -0.898 776 HD21 LEU 103 1HD2 LEU 103 4.074 -6.264 -2.044 777 HD22 LEU 103 2HD2 LEU 103 4.746 -7.134 -3.423 778 HD23 LEU 103 3HD2 LEU 103 4.869 -7.819 -1.802 779 H LEU 104 H LEU 104 -0.644 -9.647 -4.214 780 HA LEU 104 HA LEU 104 -0.394 -7.984 -6.611 781 HB2 LEU 104 1HB LEU 104 -1.914 -9.644 -7.076 782 HB3 LEU 104 2HB LEU 104 -2.549 -9.670 -5.432 783 HG LEU 104 HG LEU 104 -3.591 -7.404 -5.981 784 HD11 LEU 104 1HD1 LEU 104 -2.097 -7.361 -8.147 785 HD12 LEU 104 2HD1 LEU 104 -3.705 -6.639 -8.130 786 HD13 LEU 104 3HD1 LEU 104 -3.464 -8.239 -8.832 787 HD21 LEU 104 1HD2 LEU 104 -4.925 -9.272 -7.778 788 HD22 LEU 104 2HD2 LEU 104 -5.499 -8.524 -6.287 789 HD23 LEU 104 3HD2 LEU 104 -4.507 -9.981 -6.218 790 H LYS 105 H LYS 105 -0.747 -5.863 -6.573 791 HA LYS 105 HA LYS 105 -1.587 -4.625 -4.074 792 HB2 LYS 105 1HB LYS 105 0.425 -3.814 -5.309 793 HB3 LYS 105 2HB LYS 105 -0.630 -3.314 -6.624 794 HG2 LYS 105 1HG LYS 105 -1.689 -1.679 -5.259 795 HG3 LYS 105 2HG LYS 105 -0.892 -2.292 -3.808 796 HD2 LYS 105 1HD LYS 105 1.229 -1.518 -4.542 797 HD3 LYS 105 2HD LYS 105 0.620 -1.184 -6.165 798 HE2 LYS 105 1HE LYS 105 -1.000 0.433 -4.925 799 HE3 LYS 105 2HE LYS 105 0.182 0.329 -3.622 800 HZ1 LYS 105 1HZ LYS 105 0.309 2.056 -5.683 801 HZ2 LYS 105 2HZ LYS 105 1.332 0.820 -6.218 802 HZ3 LYS 105 3HZ LYS 105 1.632 1.585 -4.739 803 H TYR 106 H TYR 106 -3.794 -4.958 -3.990 804 HA TYR 106 HA TYR 106 -5.677 -4.805 -5.953 805 HB2 TYR 106 1HB TYR 106 -5.853 -5.162 -3.332 806 HB3 TYR 106 2HB TYR 106 -6.324 -3.466 -3.365 807 HD1 TYR 106 2HD TYR 106 -7.125 -6.680 -5.098 808 HD2 TYR 106 1HD TYR 106 -8.566 -2.966 -3.603 809 HE1 TYR 106 2HE TYR 106 -9.419 -7.335 -5.697 810 HE2 TYR 106 1HE TYR 106 -10.863 -3.611 -4.197 811 HH TYR 106 HH TYR 106 -12.054 -6.086 -4.517 812 H GLY 107 H GLY 107 -5.902 -3.316 -7.488 813 HA2 GLY 107 1HA GLY 107 -6.943 -1.052 -7.773 814 HA3 GLY 107 2HA GLY 107 -5.670 -0.475 -6.709 815 H THR 108 H THR 108 -3.660 -2.245 -7.931 816 HA THR 108 HA THR 108 -3.412 -1.012 -10.590 817 HB THR 108 HB THR 108 -1.028 -0.590 -10.203 818 HG1 THR 108 1HG THR 108 -0.523 -0.656 -7.770 819 HG21 THR 108 1HG2 THR 108 -2.074 1.388 -9.783 820 HG22 THR 108 2HG2 THR 108 -1.459 1.083 -8.158 821 HG23 THR 108 3HG2 THR 108 -3.132 0.693 -8.556 822 HA PRO 109 HA PRO 109 -2.318 -5.040 -11.970 823 HB2 PRO 109 1HB PRO 109 -0.806 -4.406 -14.134 824 HB3 PRO 109 2HB PRO 109 -2.564 -4.226 -14.104 825 HG2 PRO 109 1HG PRO 109 -0.440 -2.155 -13.699 826 HG3 PRO 109 2HG PRO 109 -1.942 -2.049 -14.636 827 HD2 PRO 109 1HD PRO 109 -1.695 -0.994 -12.155 828 HD3 PRO 109 2HD PRO 109 -3.228 -1.648 -12.766 829 H GLN 110 H GLN 110 -0.172 -2.988 -10.507 830 HA GLN 110 HA GLN 110 2.277 -4.370 -11.096 831 HB2 GLN 110 1HB GLN 110 1.465 -2.165 -9.249 832 HB3 GLN 110 2HB GLN 110 2.991 -2.993 -8.968 833 HG2 GLN 110 1HG GLN 110 3.422 -2.499 -11.478 834 HG3 GLN 110 2HG GLN 110 2.162 -1.284 -11.268 835 HE21 GLN 110 1HE2 GLN 110 2.519 -0.019 -9.101 836 HE22 GLN 110 2HE2 GLN 110 4.114 0.613 -8.902 837 H LYS 111 H LYS 111 2.887 -6.241 -10.256 838 HA LYS 111 HA LYS 111 2.146 -6.900 -7.505 839 HB2 LYS 111 1HB LYS 111 1.648 -9.271 -8.295 840 HB3 LYS 111 2HB LYS 111 0.433 -8.050 -8.649 841 HG2 LYS 111 1HG LYS 111 0.528 -9.110 -10.660 842 HG3 LYS 111 2HG LYS 111 1.759 -7.871 -10.917 843 HD2 LYS 111 1HD LYS 111 2.669 -9.937 -11.675 844 HD3 LYS 111 2HD LYS 111 3.465 -9.547 -10.148 845 HE2 LYS 111 1HE LYS 111 1.012 -11.225 -10.066 846 HE3 LYS 111 2HE LYS 111 2.501 -11.963 -10.652 847 HZ1 LYS 111 1HZ LYS 111 3.338 -10.711 -8.431 848 HZ2 LYS 111 2HZ LYS 111 2.874 -12.337 -8.492 849 HZ3 LYS 111 3HZ LYS 111 1.771 -11.162 -7.976 850 H LEU 112 H LEU 112 3.442 -8.643 -6.594 851 HA LEU 112 HA LEU 112 6.029 -8.953 -7.970 852 HB2 LEU 112 1HB LEU 112 5.601 -8.822 -4.992 853 HB3 LEU 112 2HB LEU 112 7.143 -8.887 -5.843 854 HG LEU 112 HG LEU 112 5.195 -6.583 -5.912 855 HD11 LEU 112 1HD1 LEU 112 6.163 -5.830 -4.068 856 HD12 LEU 112 2HD1 LEU 112 7.751 -5.944 -4.825 857 HD13 LEU 112 3HD1 LEU 112 7.088 -7.327 -3.954 858 HD21 LEU 112 1HD2 LEU 112 8.001 -6.753 -6.999 859 HD22 LEU 112 2HD2 LEU 112 6.880 -5.398 -7.136 860 HD23 LEU 112 3HD2 LEU 112 6.543 -6.911 -7.979 861 H VAL 113 H VAL 113 6.500 -10.981 -8.469 862 HA VAL 113 HA VAL 113 4.979 -13.162 -7.321 863 HB VAL 113 HB VAL 113 7.245 -13.702 -9.165 864 HG11 VAL 113 1HG1 VAL 113 6.114 -15.640 -8.870 865 HG12 VAL 113 2HG1 VAL 113 4.595 -14.824 -8.494 866 HG13 VAL 113 3HG1 VAL 113 5.119 -14.987 -10.171 867 HG21 VAL 113 1HG2 VAL 113 5.725 -13.099 -11.100 868 HG22 VAL 113 2HG2 VAL 113 4.772 -12.173 -9.940 869 HG23 VAL 113 3HG2 VAL 113 6.458 -11.747 -10.235 870 H GLU 114 H GLU 114 6.355 -15.255 -6.935 871 HA GLU 114 HA GLU 114 7.561 -15.258 -4.570 872 HB2 GLU 114 1HB GLU 114 8.837 -16.824 -6.803 873 HB3 GLU 114 2HB GLU 114 8.668 -17.278 -5.113 874 HG2 GLU 114 1HG GLU 114 6.166 -17.285 -5.515 875 HG3 GLU 114 2HG GLU 114 6.547 -17.188 -7.233 876 H SER 115 H SER 115 9.577 -15.059 -7.509 877 HA SER 115 HA SER 115 11.956 -14.397 -6.242 878 HB2 SER 115 1HB SER 115 11.386 -14.962 -8.763 879 HB3 SER 115 2HB SER 115 11.362 -13.206 -8.921 880 HG SER 115 HG SER 115 13.457 -14.617 -9.090 881 H GLU 116 H GLU 116 9.425 -12.265 -7.514 882 HA GLU 116 HA GLU 116 10.799 -9.859 -6.811 883 HB2 GLU 116 1HB GLU 116 7.840 -10.156 -7.319 884 HB3 GLU 116 2HB GLU 116 8.823 -8.712 -7.509 885 HG2 GLU 116 1HG GLU 116 10.104 -10.098 -9.271 886 HG3 GLU 116 2HG GLU 116 8.680 -11.135 -9.249 887 H CYS 117 H CYS 117 9.152 -12.161 -5.013 888 HA CYS 117 HA CYS 117 8.177 -10.304 -2.997 889 HB2 CYS 117 1HB CYS 117 7.988 -13.278 -3.382 890 HB3 CYS 117 2HB CYS 117 7.599 -12.551 -1.828 891 HG CYS 117 HG CYS 117 5.990 -12.080 -4.803 892 H CYS 118 H CYS 118 10.980 -12.123 -3.684 893 HA CYS 118 HA CYS 118 11.886 -11.997 -0.896 894 HB2 CYS 118 1HB CYS 118 12.119 -14.183 -1.921 895 HB3 CYS 118 2HB CYS 118 12.998 -13.491 -3.278 896 HG CYS 118 HG CYS 118 14.234 -14.783 -0.619 897 H GLN 119 H GLN 119 12.140 -10.366 -3.834 898 HA GLN 119 HA GLN 119 14.795 -9.292 -3.262 899 HB2 GLN 119 1HB GLN 119 12.976 -9.278 -5.626 900 HB3 GLN 119 2HB GLN 119 14.146 -7.974 -5.467 901 HG2 GLN 119 1HG GLN 119 14.748 -10.113 -6.807 902 HG3 GLN 119 2HG GLN 119 15.945 -9.363 -5.753 903 HE21 GLN 119 1HE2 GLN 119 13.975 -12.118 -6.335 904 HE22 GLN 119 2HE2 GLN 119 14.587 -13.101 -5.053 905 H SER 120 H SER 120 14.423 -8.015 -1.456 906 HA SER 120 HA SER 120 12.391 -6.312 -0.872 907 HB2 SER 120 1HB SER 120 14.612 -6.779 0.400 908 HB3 SER 120 2HB SER 120 15.218 -5.372 -0.473 909 HG SER 120 HG SER 120 12.758 -5.127 0.811 910 H SER 121 H SER 121 15.202 -5.531 -2.904 911 HA SER 121 HA SER 121 14.897 -2.929 -3.478 912 HB2 SER 121 1HB SER 121 16.620 -4.180 -4.581 913 HB3 SER 121 2HB SER 121 15.436 -5.170 -5.435 914 HG SER 121 HG SER 121 16.090 -2.453 -5.841 915 H LEU 122 H LEU 122 12.798 -5.507 -4.611 916 HA LEU 122 HA LEU 122 11.215 -3.668 -6.213 917 HB2 LEU 122 1HB LEU 122 10.908 -6.613 -5.652 918 HB3 LEU 122 2HB LEU 122 9.864 -5.683 -6.725 919 HG LEU 122 HG LEU 122 12.824 -5.904 -7.196 920 HD11 LEU 122 1HD1 LEU 122 10.642 -7.793 -8.043 921 HD12 LEU 122 2HD1 LEU 122 12.119 -8.166 -7.156 922 HD13 LEU 122 3HD1 LEU 122 12.206 -7.691 -8.852 923 HD21 LEU 122 1HD2 LEU 122 12.310 -4.461 -8.807 924 HD22 LEU 122 2HD2 LEU 122 10.583 -4.623 -8.488 925 HD23 LEU 122 3HD2 LEU 122 11.388 -5.753 -9.578 926 H VAL 123 H VAL 123 11.013 -5.438 -3.186 927 HA VAL 123 HA VAL 123 8.287 -5.013 -2.642 928 HB VAL 123 HB VAL 123 10.594 -5.361 -0.723 929 HG11 VAL 123 1HG1 VAL 123 9.064 -5.713 1.014 930 HG12 VAL 123 2HG1 VAL 123 8.453 -4.284 0.178 931 HG13 VAL 123 3HG1 VAL 123 7.701 -5.855 -0.095 932 HG21 VAL 123 1HG2 VAL 123 10.076 -7.661 -0.702 933 HG22 VAL 123 2HG2 VAL 123 8.550 -7.407 -1.548 934 HG23 VAL 123 3HG2 VAL 123 10.078 -7.197 -2.403 935 H GLU 124 H GLU 124 11.164 -3.177 -1.625 936 HA GLU 124 HA GLU 124 9.707 -1.176 -0.244 937 HB2 GLU 124 1HB GLU 124 11.796 0.046 -0.159 938 HB3 GLU 124 2HB GLU 124 12.099 -1.656 0.163 939 HG2 GLU 124 1HG GLU 124 12.994 -1.991 -2.015 940 HG3 GLU 124 2HG GLU 124 12.478 -0.388 -2.535 941 H MET 125 H MET 125 10.146 -1.791 -3.541 942 HA MET 125 HA MET 125 9.888 0.967 -4.394 943 HB2 MET 125 1HB MET 125 11.203 -0.871 -5.612 944 HB3 MET 125 2HB MET 125 9.639 -1.462 -6.156 945 HG2 MET 125 1HG MET 125 9.328 1.032 -6.918 946 HG3 MET 125 2HG MET 125 11.090 1.023 -6.889 947 HE1 MET 125 1HE MET 125 7.981 -0.710 -7.880 948 HE2 MET 125 2HE MET 125 8.188 -1.119 -9.583 949 HE3 MET 125 3HE MET 125 8.743 -2.235 -8.334 950 H ILE 126 H ILE 126 7.971 -2.000 -4.917 951 HA ILE 126 HA ILE 126 5.729 -0.916 -6.044 952 HB ILE 126 HB ILE 126 6.117 -3.349 -5.645 953 HG12 ILE 126 1HG1 ILE 126 3.417 -2.649 -4.543 954 HG13 ILE 126 2HG1 ILE 126 3.845 -2.162 -6.179 955 HG21 ILE 126 1HG2 ILE 126 5.493 -2.513 -2.849 956 HG22 ILE 126 2HG2 ILE 126 5.047 -4.128 -3.398 957 HG23 ILE 126 3HG2 ILE 126 6.734 -3.617 -3.442 958 HD11 ILE 126 1HD1 ILE 126 2.646 -4.233 -6.252 959 HD12 ILE 126 2HD1 ILE 126 4.325 -4.529 -6.705 960 HD13 ILE 126 3HD1 ILE 126 3.756 -4.965 -5.094 961 H PHE 127 H PHE 127 6.768 -0.686 -2.735 962 HA PHE 127 HA PHE 127 4.212 0.407 -1.864 963 HB2 PHE 127 1HB PHE 127 6.779 -0.023 -0.321 964 HB3 PHE 127 2HB PHE 127 5.234 0.464 0.370 965 HD1 PHE 127 2HD PHE 127 3.402 -1.326 -1.127 966 HD2 PHE 127 1HD PHE 127 7.180 -2.083 0.682 967 HE1 PHE 127 2HE PHE 127 2.786 -3.691 -0.838 968 HE2 PHE 127 1HE PHE 127 6.570 -4.449 0.973 969 HZ PHE 127 HZ PHE 127 4.370 -5.256 0.214 970 H SER 128 H SER 128 7.603 1.429 -2.129 971 HA SER 128 HA SER 128 7.370 4.019 -1.187 972 HB2 SER 128 1HB SER 128 9.196 2.692 -3.151 973 HB3 SER 128 2HB SER 128 9.264 4.445 -2.977 974 HG SER 128 HG SER 128 9.656 4.135 -0.751 975 H GLU 129 H GLU 129 7.173 2.973 -4.593 976 HA GLU 129 HA GLU 129 6.573 5.384 -5.767 977 HB2 GLU 129 1HB GLU 129 6.903 3.026 -6.809 978 HB3 GLU 129 2HB GLU 129 5.159 2.884 -6.640 979 HG2 GLU 129 1HG GLU 129 5.486 3.632 -8.822 980 HG3 GLU 129 2HG GLU 129 5.015 5.074 -7.923 981 H ASP 130 H ASP 130 4.774 6.618 -6.086 982 HA ASP 130 HA ASP 130 2.661 6.363 -4.173 983 HB2 ASP 130 1HB ASP 130 2.035 8.492 -4.794 984 HB3 ASP 130 2HB ASP 130 3.725 8.505 -5.288 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -2.639 23.669 20.781 2 HA2 GLY 1 1HA GLY 1 -1.539 23.534 18.376 3 HA3 GLY 1 2HA GLY 1 -0.205 24.243 19.275 4 H SER 2 H SER 2 -0.088 21.757 17.945 5 HA SER 2 HA SER 2 0.390 19.997 20.249 6 HB2 SER 2 1HB SER 2 -0.413 18.062 18.955 7 HB3 SER 2 2HB SER 2 -1.692 19.255 19.177 8 HG SER 2 HG SER 2 -1.061 20.043 17.034 9 H GLU 3 H GLU 3 2.579 20.197 20.251 10 HA GLU 3 HA GLU 3 4.111 20.048 17.812 11 HB2 GLU 3 1HB GLU 3 4.753 20.404 20.712 12 HB3 GLU 3 2HB GLU 3 6.031 19.919 19.606 13 HG2 GLU 3 1HG GLU 3 6.218 22.223 19.669 14 HG3 GLU 3 2HG GLU 3 5.298 21.931 18.195 15 H GLY 4 H GLY 4 5.109 18.314 16.965 16 HA2 GLY 4 1HA GLY 4 6.246 16.212 17.151 17 HA3 GLY 4 2HA GLY 4 5.298 15.870 18.591 18 H ALA 5 H ALA 5 4.469 16.831 15.260 19 HA ALA 5 HA ALA 5 2.337 14.846 15.251 20 HB1 ALA 5 1HB ALA 5 3.031 16.805 13.072 21 HB2 ALA 5 2HB ALA 5 1.515 15.932 13.299 22 HB3 ALA 5 3HB ALA 5 1.986 17.192 14.439 23 H ALA 6 H ALA 6 2.147 13.197 13.715 24 HA ALA 6 HA ALA 6 4.668 12.485 12.363 25 HB1 ALA 6 1HB ALA 6 4.122 10.165 12.674 26 HB2 ALA 6 2HB ALA 6 4.029 10.987 14.233 27 HB3 ALA 6 3HB ALA 6 2.551 10.584 13.359 28 H THR 7 H THR 7 4.541 12.755 10.241 29 HA THR 7 HA THR 7 1.942 12.448 8.909 30 HB THR 7 HB THR 7 4.447 13.648 7.724 31 HG1 THR 7 1HG THR 7 3.265 15.672 8.227 32 HG21 THR 7 1HG2 THR 7 2.117 14.790 6.660 33 HG22 THR 7 2HG2 THR 7 1.812 13.054 6.726 34 HG23 THR 7 3HG2 THR 7 3.220 13.670 5.862 35 H MET 8 H MET 8 3.204 10.089 9.659 36 HA MET 8 HA MET 8 4.488 9.060 7.242 37 HB2 MET 8 1HB MET 8 4.261 8.104 10.069 38 HB3 MET 8 2HB MET 8 4.601 6.943 8.794 39 HG2 MET 8 1HG MET 8 6.494 8.556 8.131 40 HG3 MET 8 2HG MET 8 6.260 9.242 9.737 41 HE1 MET 8 1HE MET 8 9.092 7.121 8.436 42 HE2 MET 8 2HE MET 8 8.354 5.520 8.449 43 HE3 MET 8 3HE MET 8 7.618 6.822 7.513 44 H ALA 9 H ALA 9 3.761 7.064 6.279 45 HA ALA 9 HA ALA 9 0.998 7.025 5.754 46 HB1 ALA 9 1HB ALA 9 1.751 5.875 4.015 47 HB2 ALA 9 2HB ALA 9 3.329 5.701 4.784 48 HB3 ALA 9 3HB ALA 9 2.069 4.502 5.076 49 H THR 10 H THR 10 -0.173 4.755 5.872 50 HA THR 10 HA THR 10 0.126 3.691 8.601 51 HB THR 10 HB THR 10 -2.400 3.463 8.635 52 HG1 THR 10 1HG THR 10 -2.686 3.893 6.364 53 HG21 THR 10 1HG2 THR 10 -0.903 5.328 9.702 54 HG22 THR 10 2HG2 THR 10 -2.658 5.505 9.685 55 HG23 THR 10 3HG2 THR 10 -1.673 6.359 8.497 56 H PHE 11 H PHE 11 0.345 1.557 8.648 57 HA PHE 11 HA PHE 11 -0.701 -0.010 6.382 58 HB2 PHE 11 1HB PHE 11 1.217 -1.282 6.276 59 HB3 PHE 11 2HB PHE 11 1.896 0.266 6.770 60 HD1 PHE 11 2HD PHE 11 2.626 0.619 9.084 61 HD2 PHE 11 1HD PHE 11 1.236 -3.170 7.732 62 HE1 PHE 11 2HE PHE 11 3.626 -0.450 11.061 63 HE2 PHE 11 1HE PHE 11 2.233 -4.245 9.707 64 HZ PHE 11 HZ PHE 11 3.432 -2.885 11.374 65 H GLU 12 H GLU 12 -2.153 -1.508 6.889 66 HA GLU 12 HA GLU 12 -2.387 -2.321 9.709 67 HB2 GLU 12 1HB GLU 12 -4.339 -1.116 8.800 68 HB3 GLU 12 2HB GLU 12 -4.501 -2.338 7.548 69 HG2 GLU 12 1HG GLU 12 -5.258 -3.943 9.020 70 HG3 GLU 12 2HG GLU 12 -4.547 -3.141 10.420 71 H GLU 13 H GLU 13 -1.969 -4.365 10.218 72 HA GLU 13 HA GLU 13 -1.507 -6.284 8.071 73 HB2 GLU 13 1HB GLU 13 0.014 -5.802 10.171 74 HB3 GLU 13 2HB GLU 13 -1.078 -6.933 10.957 75 HG2 GLU 13 1HG GLU 13 0.403 -7.557 8.418 76 HG3 GLU 13 2HG GLU 13 1.023 -7.925 10.026 77 H VAL 14 H VAL 14 -2.887 -7.851 7.563 78 HA VAL 14 HA VAL 14 -4.976 -8.573 9.513 79 HB VAL 14 HB VAL 14 -5.348 -8.415 6.519 80 HG11 VAL 14 1HG1 VAL 14 -7.640 -8.919 6.918 81 HG12 VAL 14 2HG1 VAL 14 -6.685 -10.130 7.776 82 HG13 VAL 14 3HG1 VAL 14 -7.426 -8.799 8.664 83 HG21 VAL 14 1HG2 VAL 14 -5.434 -6.361 8.499 84 HG22 VAL 14 2HG2 VAL 14 -5.755 -6.245 6.769 85 HG23 VAL 14 3HG2 VAL 14 -7.064 -6.635 7.884 86 H SER 15 H SER 15 -5.629 -10.727 9.563 87 HA SER 15 HA SER 15 -3.931 -12.593 8.039 88 HB2 SER 15 1HB SER 15 -3.226 -12.647 10.345 89 HB3 SER 15 2HB SER 15 -4.892 -12.805 10.901 90 HG SER 15 HG SER 15 -3.175 -14.727 10.157 91 H VAL 16 H VAL 16 -5.059 -13.768 6.654 92 HA VAL 16 HA VAL 16 -7.681 -14.801 7.441 93 HB VAL 16 HB VAL 16 -8.662 -14.246 5.259 94 HG11 VAL 16 1HG1 VAL 16 -9.094 -12.758 7.113 95 HG12 VAL 16 2HG1 VAL 16 -7.600 -11.875 6.792 96 HG13 VAL 16 3HG1 VAL 16 -8.926 -11.819 5.630 97 HG21 VAL 16 1HG2 VAL 16 -5.973 -13.014 4.811 98 HG22 VAL 16 2HG2 VAL 16 -6.916 -14.057 3.746 99 HG23 VAL 16 3HG2 VAL 16 -7.394 -12.376 3.984 100 H LEU 17 H LEU 17 -8.392 -16.615 6.151 101 HA LEU 17 HA LEU 17 -6.273 -17.897 4.573 102 HB2 LEU 17 1HB LEU 17 -6.004 -19.045 6.560 103 HB3 LEU 17 2HB LEU 17 -7.721 -18.970 6.953 104 HG LEU 17 HG LEU 17 -8.174 -20.672 5.241 105 HD11 LEU 17 1HD1 LEU 17 -6.475 -21.765 4.030 106 HD12 LEU 17 2HD1 LEU 17 -5.199 -21.006 4.981 107 HD13 LEU 17 3HD1 LEU 17 -6.151 -20.040 3.853 108 HD21 LEU 17 1HD2 LEU 17 -7.280 -21.072 7.729 109 HD22 LEU 17 2HD2 LEU 17 -6.013 -21.913 6.835 110 HD23 LEU 17 3HD2 LEU 17 -7.699 -22.392 6.636 111 H GLY 18 H GLY 18 -7.179 -17.836 2.595 112 HA2 GLY 18 1HA GLY 18 -8.611 -19.283 1.184 113 HA3 GLY 18 2HA GLY 18 -9.901 -18.959 2.333 114 H PHE 19 H PHE 19 -10.619 -18.480 -0.120 115 HA PHE 19 HA PHE 19 -9.976 -15.793 -0.962 116 HB2 PHE 19 1HB PHE 19 -10.416 -17.636 -2.585 117 HB3 PHE 19 2HB PHE 19 -12.090 -17.668 -2.041 118 HD1 PHE 19 2HD PHE 19 -13.254 -15.264 -2.085 119 HD2 PHE 19 1HD PHE 19 -9.950 -16.456 -4.488 120 HE1 PHE 19 2HE PHE 19 -13.820 -13.518 -3.723 121 HE2 PHE 19 1HE PHE 19 -10.510 -14.711 -6.130 122 HZ PHE 19 HZ PHE 19 -12.449 -13.240 -5.750 123 H GLU 20 H GLU 20 -12.712 -17.480 0.500 124 HA GLU 20 HA GLU 20 -14.626 -15.477 0.387 125 HB2 GLU 20 1HB GLU 20 -14.110 -17.707 2.325 126 HB3 GLU 20 2HB GLU 20 -15.401 -16.554 2.632 127 HG2 GLU 20 1HG GLU 20 -16.574 -17.186 0.699 128 HG3 GLU 20 2HG GLU 20 -15.184 -18.051 0.043 129 H GLU 21 H GLU 21 -12.698 -16.225 3.294 130 HA GLU 21 HA GLU 21 -13.299 -13.919 4.704 131 HB2 GLU 21 1HB GLU 21 -10.847 -15.673 4.761 132 HB3 GLU 21 2HB GLU 21 -11.094 -14.350 5.891 133 HG2 GLU 21 1HG GLU 21 -12.932 -16.708 5.548 134 HG3 GLU 21 2HG GLU 21 -11.733 -16.521 6.827 135 H PHE 22 H PHE 22 -10.712 -14.501 2.370 136 HA PHE 22 HA PHE 22 -9.261 -12.155 2.698 137 HB2 PHE 22 1HB PHE 22 -8.247 -13.730 1.311 138 HB3 PHE 22 2HB PHE 22 -9.712 -13.988 0.368 139 HD1 PHE 22 2HD PHE 22 -7.994 -10.809 1.238 140 HD2 PHE 22 1HD PHE 22 -9.095 -13.556 -1.822 141 HE1 PHE 22 2HE PHE 22 -7.170 -9.237 -0.465 142 HE2 PHE 22 1HE PHE 22 -8.271 -11.988 -3.530 143 HZ PHE 22 HZ PHE 22 -7.308 -9.825 -2.853 144 H ASP 23 H ASP 23 -11.770 -12.769 0.235 145 HA ASP 23 HA ASP 23 -11.953 -10.251 -0.843 146 HB2 ASP 23 1HB ASP 23 -13.252 -12.507 -1.339 147 HB3 ASP 23 2HB ASP 23 -14.496 -11.739 -0.356 148 H LYS 24 H LYS 24 -13.903 -11.505 1.866 149 HA LYS 24 HA LYS 24 -15.380 -9.271 2.459 150 HB2 LYS 24 1HB LYS 24 -15.435 -11.575 3.566 151 HB3 LYS 24 2HB LYS 24 -14.141 -10.990 4.604 152 HG2 LYS 24 1HG LYS 24 -15.509 -9.487 5.690 153 HG3 LYS 24 2HG LYS 24 -16.665 -9.416 4.357 154 HD2 LYS 24 1HD LYS 24 -16.997 -11.961 4.957 155 HD3 LYS 24 2HD LYS 24 -16.377 -11.441 6.526 156 HE2 LYS 24 1HE LYS 24 -18.689 -10.133 5.103 157 HE3 LYS 24 2HE LYS 24 -18.868 -11.394 6.321 158 HZ1 LYS 24 1HZ LYS 24 -17.622 -9.910 7.860 159 HZ2 LYS 24 2HZ LYS 24 -19.131 -9.309 7.390 160 HZ3 LYS 24 3HZ LYS 24 -17.719 -8.686 6.697 161 H ALA 25 H ALA 25 -12.111 -10.040 3.621 162 HA ALA 25 HA ALA 25 -11.762 -7.785 5.245 163 HB1 ALA 25 1HB ALA 25 -9.599 -8.467 5.492 164 HB2 ALA 25 2HB ALA 25 -10.309 -9.961 4.878 165 HB3 ALA 25 3HB ALA 25 -9.421 -8.894 3.790 166 H VAL 26 H VAL 26 -10.959 -8.311 1.826 167 HA VAL 26 HA VAL 26 -9.710 -5.867 1.324 168 HB VAL 26 HB VAL 26 -11.385 -7.522 -0.569 169 HG11 VAL 26 1HG1 VAL 26 -9.171 -5.817 -1.540 170 HG12 VAL 26 2HG1 VAL 26 -10.708 -6.229 -2.304 171 HG13 VAL 26 3HG1 VAL 26 -10.650 -4.996 -1.043 172 HG21 VAL 26 1HG2 VAL 26 -9.586 -8.844 -0.957 173 HG22 VAL 26 2HG2 VAL 26 -8.429 -7.544 -0.668 174 HG23 VAL 26 3HG2 VAL 26 -9.182 -8.373 0.694 175 H LYS 27 H LYS 27 -13.066 -6.727 0.463 176 HA LYS 27 HA LYS 27 -13.976 -4.266 -0.308 177 HB2 LYS 27 1HB LYS 27 -15.282 -6.626 0.963 178 HB3 LYS 27 2HB LYS 27 -16.210 -5.137 0.843 179 HG2 LYS 27 1HG LYS 27 -16.800 -6.205 -1.098 180 HG3 LYS 27 2HG LYS 27 -15.462 -5.195 -1.651 181 HD2 LYS 27 1HD LYS 27 -13.990 -7.001 -1.764 182 HD3 LYS 27 2HD LYS 27 -14.987 -8.001 -0.704 183 HE2 LYS 27 1HE LYS 27 -15.730 -7.139 -3.499 184 HE3 LYS 27 2HE LYS 27 -15.084 -8.720 -3.061 185 HZ1 LYS 27 1HZ LYS 27 -17.235 -8.286 -1.389 186 HZ2 LYS 27 2HZ LYS 27 -17.161 -9.354 -2.698 187 HZ3 LYS 27 3HZ LYS 27 -17.754 -7.785 -2.919 188 H GLU 28 H GLU 28 -13.368 -5.403 2.936 189 HA GLU 28 HA GLU 28 -14.755 -3.304 4.278 190 HB2 GLU 28 1HB GLU 28 -12.675 -5.302 5.139 191 HB3 GLU 28 2HB GLU 28 -13.262 -4.056 6.231 192 HG2 GLU 28 1HG GLU 28 -15.089 -5.983 4.831 193 HG3 GLU 28 2HG GLU 28 -14.367 -6.313 6.405 194 H HIS 29 H HIS 29 -11.421 -3.800 3.236 195 HA HIS 29 HA HIS 29 -10.704 -1.139 4.236 196 HB2 HIS 29 1HB HIS 29 -8.837 -3.179 3.028 197 HB3 HIS 29 2HB HIS 29 -8.419 -1.787 4.022 198 HD1 HIS 29 1HD HIS 29 -9.481 -1.974 6.581 199 HD2 HIS 29 2HD HIS 29 -8.940 -5.486 4.429 200 HE1 HIS 29 1HE HIS 29 -9.482 -3.817 8.292 201 HE2 HIS 29 2HE HIS 29 -9.068 -5.924 6.975 202 H GLU 30 H GLU 30 -12.300 -1.909 1.737 203 HA GLU 30 HA GLU 30 -10.807 -1.334 -0.557 204 HB2 GLU 30 1HB GLU 30 -12.950 -0.847 -1.630 205 HB3 GLU 30 2HB GLU 30 -13.057 -2.295 -0.640 206 HG2 GLU 30 1HG GLU 30 -14.997 -1.256 -0.058 207 HG3 GLU 30 2HG GLU 30 -13.915 -0.612 1.176 208 H SER 31 H SER 31 -11.926 0.710 1.966 209 HA SER 31 HA SER 31 -12.198 3.161 0.686 210 HB2 SER 31 1HB SER 31 -10.872 3.021 3.369 211 HB3 SER 31 2HB SER 31 -12.117 4.130 2.795 212 HG SER 31 HG SER 31 -12.538 2.087 4.273 213 H LYS 32 H LYS 32 -9.296 1.498 1.797 214 HA LYS 32 HA LYS 32 -7.687 3.499 0.353 215 HB2 LYS 32 1HB LYS 32 -6.620 1.991 2.721 216 HB3 LYS 32 2HB LYS 32 -6.026 3.484 2.006 217 HG2 LYS 32 1HG LYS 32 -7.549 4.781 3.098 218 HG3 LYS 32 2HG LYS 32 -8.751 3.490 3.186 219 HD2 LYS 32 1HD LYS 32 -6.215 3.676 4.814 220 HD3 LYS 32 2HD LYS 32 -7.851 3.996 5.396 221 HE2 LYS 32 1HE LYS 32 -8.334 1.583 4.562 222 HE3 LYS 32 2HE LYS 32 -6.583 1.395 4.631 223 HZ1 LYS 32 1HZ LYS 32 -6.880 0.916 6.766 224 HZ2 LYS 32 2HZ LYS 32 -8.486 1.447 6.762 225 HZ3 LYS 32 3HZ LYS 32 -7.231 2.553 7.015 226 H THR 33 H THR 33 -5.365 2.525 0.005 227 HA THR 33 HA THR 33 -5.554 0.486 -1.857 228 HB THR 33 HB THR 33 -3.107 1.204 -0.229 229 HG1 THR 33 1HG THR 33 -3.760 2.152 -2.821 230 HG21 THR 33 1HG2 THR 33 -2.745 -0.873 -1.375 231 HG22 THR 33 2HG2 THR 33 -1.899 0.393 -2.265 232 HG23 THR 33 3HG2 THR 33 -3.436 -0.230 -2.863 233 H ILE 34 H ILE 34 -5.049 -1.712 -1.849 234 HA ILE 34 HA ILE 34 -4.805 -2.986 0.790 235 HB ILE 34 HB ILE 34 -6.688 -3.814 -1.419 236 HG12 ILE 34 1HG1 ILE 34 -7.286 -3.147 1.466 237 HG13 ILE 34 2HG1 ILE 34 -7.381 -1.966 0.165 238 HG21 ILE 34 1HG2 ILE 34 -7.073 -5.393 0.881 239 HG22 ILE 34 2HG2 ILE 34 -6.503 -5.906 -0.707 240 HG23 ILE 34 3HG2 ILE 34 -5.345 -5.415 0.529 241 HD11 ILE 34 1HD1 ILE 34 -9.533 -3.113 0.910 242 HD12 ILE 34 2HD1 ILE 34 -9.203 -3.030 -0.821 243 HD13 ILE 34 3HD1 ILE 34 -8.920 -4.531 0.060 244 H PHE 35 H PHE 35 -3.400 -4.652 0.904 245 HA PHE 35 HA PHE 35 -2.194 -5.579 -1.620 246 HB2 PHE 35 1HB PHE 35 -0.910 -4.886 1.011 247 HB3 PHE 35 2HB PHE 35 -0.121 -5.973 -0.128 248 HD1 PHE 35 2HD PHE 35 0.405 -5.128 -2.439 249 HD2 PHE 35 1HD PHE 35 -0.826 -2.564 0.728 250 HE1 PHE 35 2HE PHE 35 1.311 -3.193 -3.658 251 HE2 PHE 35 1HE PHE 35 0.078 -0.625 -0.486 252 HZ PHE 35 HZ PHE 35 1.149 -0.938 -2.681 253 H ALA 36 H ALA 36 -2.921 -7.574 -1.974 254 HA ALA 36 HA ALA 36 -3.369 -9.379 0.284 255 HB1 ALA 36 1HB ALA 36 -4.224 -10.834 -1.762 256 HB2 ALA 36 2HB ALA 36 -5.222 -9.582 -1.021 257 HB3 ALA 36 3HB ALA 36 -4.346 -9.243 -2.514 258 H TYR 37 H TYR 37 -1.934 -10.882 0.821 259 HA TYR 37 HA TYR 37 0.158 -11.581 -1.128 260 HB2 TYR 37 1HB TYR 37 0.972 -10.505 0.935 261 HB3 TYR 37 2HB TYR 37 0.225 -11.780 1.891 262 HD1 TYR 37 1HD TYR 37 2.637 -11.393 -0.940 263 HD2 TYR 37 2HD TYR 37 1.556 -13.539 2.571 264 HE1 TYR 37 1HE TYR 37 4.692 -12.731 -1.132 265 HE2 TYR 37 2HE TYR 37 3.608 -14.882 2.389 266 HH TYR 37 HH TYR 37 5.521 -15.183 1.297 267 H PHE 38 H PHE 38 -0.578 -13.352 -2.165 268 HA PHE 38 HA PHE 38 -1.915 -15.478 -0.717 269 HB2 PHE 38 1HB PHE 38 -1.081 -15.516 -3.616 270 HB3 PHE 38 2HB PHE 38 -2.351 -16.458 -2.842 271 HD1 PHE 38 1HD PHE 38 -4.308 -15.099 -1.810 272 HD2 PHE 38 2HD PHE 38 -1.622 -13.578 -4.741 273 HE1 PHE 38 1HE PHE 38 -5.959 -13.382 -2.427 274 HE2 PHE 38 2HE PHE 38 -3.268 -11.858 -5.362 275 HZ PHE 38 HZ PHE 38 -5.440 -11.758 -4.204 276 H SER 39 H SER 39 -0.609 -16.690 0.514 277 HA SER 39 HA SER 39 1.666 -17.995 -0.803 278 HB2 SER 39 1HB SER 39 3.125 -17.636 1.052 279 HB3 SER 39 2HB SER 39 2.422 -16.066 0.664 280 HG SER 39 HG SER 39 2.180 -17.579 2.929 281 H GLY 40 H GLY 40 2.339 -19.997 0.245 282 HA2 GLY 40 1HA GLY 40 0.170 -21.674 0.849 283 HA3 GLY 40 2HA GLY 40 1.864 -22.074 1.096 284 H SER 41 H SER 41 -0.846 -22.215 2.673 285 HA SER 41 HA SER 41 -0.703 -20.728 4.990 286 HB2 SER 41 1HB SER 41 -1.973 -22.564 6.067 287 HB3 SER 41 2HB SER 41 -2.613 -22.157 4.476 288 HG SER 41 HG SER 41 -1.216 -24.435 5.310 289 H LYS 42 H LYS 42 -0.247 -21.731 7.230 290 HA LYS 42 HA LYS 42 2.556 -22.369 7.301 291 HB2 LYS 42 1HB LYS 42 0.520 -22.114 9.523 292 HB3 LYS 42 2HB LYS 42 2.251 -22.308 9.765 293 HG2 LYS 42 1HG LYS 42 2.697 -20.188 8.748 294 HG3 LYS 42 2HG LYS 42 1.006 -20.011 8.270 295 HD2 LYS 42 1HD LYS 42 1.744 -20.356 11.153 296 HD3 LYS 42 2HD LYS 42 1.863 -18.773 10.382 297 HE2 LYS 42 1HE LYS 42 -0.637 -20.439 10.263 298 HE3 LYS 42 2HE LYS 42 -0.314 -19.322 11.587 299 HZ1 LYS 42 1HZ LYS 42 -1.053 -17.674 10.334 300 HZ2 LYS 42 2HZ LYS 42 -1.377 -18.748 9.069 301 HZ3 LYS 42 3HZ LYS 42 0.130 -17.985 9.165 302 H ASP 43 H ASP 43 3.493 -24.211 8.298 303 HA ASP 43 HA ASP 43 1.897 -26.628 7.919 304 HB2 ASP 43 1HB ASP 43 3.970 -27.826 7.841 305 HB3 ASP 43 2HB ASP 43 4.164 -26.379 6.856 306 H THR 44 H THR 44 2.870 -28.464 9.525 307 HA THR 44 HA THR 44 1.689 -27.958 12.013 308 HB THR 44 HB THR 44 1.993 -30.229 11.069 309 HG1 THR 44 1HG THR 44 1.785 -29.711 13.434 310 HG21 THR 44 1HG2 THR 44 4.804 -30.242 12.086 311 HG22 THR 44 2HG2 THR 44 4.472 -29.647 10.460 312 HG23 THR 44 3HG2 THR 44 4.034 -31.297 10.902 313 H GLU 45 H GLU 45 4.976 -27.573 10.893 314 HA GLU 45 HA GLU 45 6.170 -27.326 13.468 315 HB2 GLU 45 1HB GLU 45 7.272 -27.813 11.158 316 HB3 GLU 45 2HB GLU 45 7.303 -26.063 10.993 317 HG2 GLU 45 1HG GLU 45 8.516 -27.558 13.303 318 HG3 GLU 45 2HG GLU 45 9.406 -27.061 11.865 319 H GLY 46 H GLY 46 4.338 -25.217 11.471 320 HA2 GLY 46 1HA GLY 46 3.384 -23.236 12.470 321 HA3 GLY 46 2HA GLY 46 4.886 -23.018 13.357 322 H LYS 47 H LYS 47 5.587 -23.967 10.242 323 HA LYS 47 HA LYS 47 5.725 -21.193 9.271 324 HB2 LYS 47 1HB LYS 47 7.958 -21.648 8.346 325 HB3 LYS 47 2HB LYS 47 7.936 -21.801 10.098 326 HG2 LYS 47 1HG LYS 47 9.125 -23.662 9.575 327 HG3 LYS 47 2HG LYS 47 7.496 -24.340 9.515 328 HD2 LYS 47 1HD LYS 47 7.489 -24.470 7.221 329 HD3 LYS 47 2HD LYS 47 8.643 -23.147 7.036 330 HE2 LYS 47 1HE LYS 47 9.402 -25.805 8.219 331 HE3 LYS 47 2HE LYS 47 9.477 -25.484 6.488 332 HZ1 LYS 47 1HZ LYS 47 11.613 -25.115 7.547 333 HZ2 LYS 47 2HZ LYS 47 10.931 -23.971 8.590 334 HZ3 LYS 47 3HZ LYS 47 11.004 -23.663 6.928 335 H SER 48 H SER 48 5.548 -20.911 7.044 336 HA SER 48 HA SER 48 3.833 -22.535 5.648 337 HB2 SER 48 1HB SER 48 4.251 -21.203 3.771 338 HB3 SER 48 2HB SER 48 4.708 -20.147 5.107 339 HG SER 48 HG SER 48 6.350 -21.537 3.293 340 H TRP 49 H TRP 49 3.996 -24.225 4.235 341 HA TRP 49 HA TRP 49 6.053 -26.077 4.565 342 HB2 TRP 49 1HB TRP 49 5.073 -27.192 2.535 343 HB3 TRP 49 2HB TRP 49 3.906 -26.819 3.801 344 HD1 TRP 49 HD TRP 49 2.109 -24.893 3.287 345 HE1 TRP 49 1HE TRP 49 1.272 -23.881 1.073 346 HE3 TRP 49 3HE TRP 49 5.815 -26.556 0.183 347 HZ2 TRP 49 2HZ TRP 49 2.077 -23.799 -1.631 348 HZ3 TRP 49 3HZ TRP 49 5.707 -25.967 -2.204 349 HH2 TRP 49 HH TRP 49 3.876 -24.617 -3.090 350 H CYS 50 H CYS 50 5.594 -23.575 2.131 351 HA CYS 50 HA CYS 50 7.874 -24.417 0.580 352 HB2 CYS 50 1HB CYS 50 5.685 -23.096 -0.141 353 HB3 CYS 50 2HB CYS 50 6.678 -21.702 0.267 354 HG CYS 50 HG CYS 50 8.698 -22.312 -1.559 355 HA PRO 51 HA PRO 51 10.909 -22.272 2.965 356 HB2 PRO 51 1HB PRO 51 12.911 -22.318 1.133 357 HB3 PRO 51 2HB PRO 51 12.424 -23.742 2.059 358 HG2 PRO 51 1HG PRO 51 11.702 -22.965 -0.740 359 HG3 PRO 51 2HG PRO 51 12.160 -24.555 -0.104 360 HD2 PRO 51 1HD PRO 51 9.585 -23.861 -0.573 361 HD3 PRO 51 2HD PRO 51 10.053 -24.967 0.734 362 H ASP 52 H ASP 52 10.248 -21.300 -0.375 363 HA ASP 52 HA ASP 52 11.548 -18.829 -0.359 364 HB2 ASP 52 1HB ASP 52 9.051 -19.655 -1.856 365 HB3 ASP 52 2HB ASP 52 10.014 -18.224 -2.211 366 H CYS 53 H CYS 53 8.062 -19.437 0.113 367 HA CYS 53 HA CYS 53 7.226 -16.920 0.758 368 HB2 CYS 53 1HB CYS 53 6.300 -19.434 2.162 369 HB3 CYS 53 2HB CYS 53 5.394 -17.936 1.984 370 HG CYS 53 HG CYS 53 4.457 -18.356 -0.404 371 H VAL 54 H VAL 54 8.814 -19.249 2.885 372 HA VAL 54 HA VAL 54 8.560 -17.708 5.257 373 HB VAL 54 HB VAL 54 10.507 -19.906 4.550 374 HG11 VAL 54 1HG1 VAL 54 9.916 -18.672 7.238 375 HG12 VAL 54 2HG1 VAL 54 10.951 -20.071 6.947 376 HG13 VAL 54 3HG1 VAL 54 11.410 -18.487 6.321 377 HG21 VAL 54 1HG2 VAL 54 7.734 -19.867 5.361 378 HG22 VAL 54 2HG2 VAL 54 8.722 -21.216 4.801 379 HG23 VAL 54 3HG2 VAL 54 8.727 -20.767 6.507 380 H GLU 55 H GLU 55 10.792 -17.685 2.599 381 HA GLU 55 HA GLU 55 12.672 -15.979 4.043 382 HB2 GLU 55 1HB GLU 55 13.433 -17.878 2.549 383 HB3 GLU 55 2HB GLU 55 12.871 -16.924 1.184 384 HG2 GLU 55 1HG GLU 55 14.438 -15.161 1.734 385 HG3 GLU 55 2HG GLU 55 14.969 -16.054 3.158 386 H ALA 56 H ALA 56 9.888 -15.608 2.299 387 HA ALA 56 HA ALA 56 10.699 -13.044 1.121 388 HB1 ALA 56 1HB ALA 56 8.837 -13.176 -0.294 389 HB2 ALA 56 2HB ALA 56 9.459 -14.825 -0.224 390 HB3 ALA 56 3HB ALA 56 8.039 -14.378 0.721 391 H GLU 57 H GLU 57 8.479 -14.491 3.437 392 HA GLU 57 HA GLU 57 6.758 -12.463 4.019 393 HB2 GLU 57 1HB GLU 57 7.305 -14.837 5.175 394 HB3 GLU 57 2HB GLU 57 7.978 -13.757 6.388 395 HG2 GLU 57 1HG GLU 57 5.586 -14.466 6.725 396 HG3 GLU 57 2HG GLU 57 5.901 -12.733 6.785 397 HA PRO 58 HA PRO 58 10.045 -10.435 6.951 398 HB2 PRO 58 1HB PRO 58 12.626 -11.189 6.576 399 HB3 PRO 58 2HB PRO 58 11.542 -12.004 7.709 400 HG2 PRO 58 1HG PRO 58 12.319 -12.797 4.929 401 HG3 PRO 58 2HG PRO 58 12.167 -13.806 6.379 402 HD2 PRO 58 1HD PRO 58 10.246 -13.693 4.474 403 HD3 PRO 58 2HD PRO 58 9.874 -13.951 6.191 404 H VAL 59 H VAL 59 10.424 -11.075 3.607 405 HA VAL 59 HA VAL 59 12.104 -8.744 3.131 406 HB VAL 59 HB VAL 59 10.845 -10.435 0.989 407 HG11 VAL 59 1HG1 VAL 59 11.898 -8.822 -0.176 408 HG12 VAL 59 2HG1 VAL 59 12.959 -8.397 1.168 409 HG13 VAL 59 3HG1 VAL 59 13.334 -9.791 0.153 410 HG21 VAL 59 1HG2 VAL 59 11.997 -11.862 2.715 411 HG22 VAL 59 2HG2 VAL 59 12.641 -11.988 1.078 412 HG23 VAL 59 3HG2 VAL 59 13.494 -11.032 2.290 413 H ILE 60 H ILE 60 8.774 -9.765 2.818 414 HA ILE 60 HA ILE 60 8.026 -7.367 1.357 415 HB ILE 60 HB ILE 60 6.279 -9.576 2.448 416 HG12 ILE 60 1HG1 ILE 60 7.494 -9.117 -0.279 417 HG13 ILE 60 2HG1 ILE 60 7.739 -10.498 0.784 418 HG21 ILE 60 1HG2 ILE 60 5.579 -7.554 0.337 419 HG22 ILE 60 2HG2 ILE 60 4.506 -8.671 1.178 420 HG23 ILE 60 3HG2 ILE 60 5.222 -7.313 2.047 421 HD11 ILE 60 1HD1 ILE 60 5.678 -10.015 -1.184 422 HD12 ILE 60 2HD1 ILE 60 6.168 -11.517 -0.400 423 HD13 ILE 60 3HD1 ILE 60 5.009 -10.448 0.389 424 H ARG 61 H ARG 61 7.606 -8.770 4.573 425 HA ARG 61 HA ARG 61 5.839 -6.865 5.616 426 HB2 ARG 61 1HB ARG 61 6.699 -9.126 6.600 427 HB3 ARG 61 2HB ARG 61 7.963 -8.132 7.310 428 HG2 ARG 61 1HG ARG 61 6.538 -7.101 8.756 429 HG3 ARG 61 2HG ARG 61 5.150 -7.269 7.680 430 HD2 ARG 61 1HD ARG 61 4.693 -9.404 8.379 431 HD3 ARG 61 2HD ARG 61 6.368 -9.731 8.821 432 HE ARG 61 HE ARG 61 4.324 -8.696 10.514 433 HH11 ARG 61 2HH1 ARG 61 7.747 -8.595 9.884 434 HH12 ARG 61 1HH1 ARG 61 8.166 -8.178 11.512 435 HH21 ARG 61 2HH2 ARG 61 4.864 -8.148 12.661 436 HH22 ARG 61 1HH2 ARG 61 6.526 -7.925 13.091 437 H GLU 62 H GLU 62 9.331 -6.846 5.260 438 HA GLU 62 HA GLU 62 9.855 -4.609 6.906 439 HB2 GLU 62 1HB GLU 62 11.359 -5.902 4.643 440 HB3 GLU 62 2HB GLU 62 11.965 -4.458 5.441 441 HG2 GLU 62 1HG GLU 62 11.270 -6.969 6.932 442 HG3 GLU 62 2HG GLU 62 12.871 -6.659 6.264 443 H GLY 63 H GLY 63 9.522 -4.881 3.365 444 HA2 GLY 63 1HA GLY 63 9.787 -2.144 2.804 445 HA3 GLY 63 2HA GLY 63 8.984 -3.319 1.772 446 H LEU 64 H LEU 64 7.037 -4.002 3.889 447 HA LEU 64 HA LEU 64 5.031 -2.132 3.185 448 HB2 LEU 64 1HB LEU 64 5.209 -4.456 5.042 449 HB3 LEU 64 2HB LEU 64 3.833 -3.362 5.174 450 HG LEU 64 HG LEU 64 4.533 -4.607 2.541 451 HD11 LEU 64 1HD1 LEU 64 4.215 -6.242 4.618 452 HD12 LEU 64 2HD1 LEU 64 3.578 -6.608 3.015 453 HD13 LEU 64 3HD1 LEU 64 2.517 -5.937 4.253 454 HD21 LEU 64 1HD2 LEU 64 1.853 -3.885 3.700 455 HD22 LEU 64 2HD2 LEU 64 2.271 -4.188 2.013 456 HD23 LEU 64 3HD2 LEU 64 2.854 -2.731 2.819 457 H LYS 65 H LYS 65 7.484 -1.987 5.470 458 HA LYS 65 HA LYS 65 6.022 -0.330 7.361 459 HB2 LYS 65 1HB LYS 65 8.884 -1.286 7.254 460 HB3 LYS 65 2HB LYS 65 8.285 -0.187 8.490 461 HG2 LYS 65 1HG LYS 65 6.517 -1.996 8.946 462 HG3 LYS 65 2HG LYS 65 7.588 -3.061 8.031 463 HD2 LYS 65 1HD LYS 65 8.238 -3.360 10.260 464 HD3 LYS 65 2HD LYS 65 9.437 -2.243 9.604 465 HE2 LYS 65 1HE LYS 65 8.928 -1.176 11.561 466 HE3 LYS 65 2HE LYS 65 7.738 -0.435 10.492 467 HZ1 LYS 65 1HZ LYS 65 6.444 -2.627 11.378 468 HZ2 LYS 65 2HZ LYS 65 6.282 -1.078 12.039 469 HZ3 LYS 65 3HZ LYS 65 7.345 -2.191 12.742 470 H HIS 66 H HIS 66 8.232 -0.001 4.695 471 HA HIS 66 HA HIS 66 8.613 2.847 5.242 472 HB2 HIS 66 1HB HIS 66 9.817 1.114 3.073 473 HB3 HIS 66 2HB HIS 66 10.255 2.784 3.423 474 HD1 HIS 66 1HD HIS 66 11.914 3.188 5.288 475 HD2 HIS 66 2HD HIS 66 10.678 -0.771 5.044 476 HE1 HIS 66 1HE HIS 66 13.432 1.913 6.836 477 HE2 HIS 66 2HE HIS 66 12.720 -0.492 6.607 478 H VAL 67 H VAL 67 6.130 1.342 4.148 479 HA VAL 67 HA VAL 67 5.680 2.186 1.506 480 HB VAL 67 HB VAL 67 4.321 0.494 2.815 481 HG11 VAL 67 1HG1 VAL 67 2.642 2.796 3.717 482 HG12 VAL 67 2HG1 VAL 67 2.685 1.137 4.316 483 HG13 VAL 67 3HG1 VAL 67 3.996 2.251 4.706 484 HG21 VAL 67 1HG2 VAL 67 2.152 1.223 1.709 485 HG22 VAL 67 2HG2 VAL 67 3.027 2.660 1.180 486 HG23 VAL 67 3HG2 VAL 67 3.560 1.062 0.658 487 H THR 68 H THR 68 4.440 3.913 0.681 488 HA THR 68 HA THR 68 4.241 6.238 2.484 489 HB THR 68 HB THR 68 4.866 7.709 0.723 490 HG1 THR 68 1HG THR 68 5.104 7.018 -1.400 491 HG21 THR 68 1HG2 THR 68 6.927 7.102 1.415 492 HG22 THR 68 2HG2 THR 68 7.021 6.309 -0.157 493 HG23 THR 68 3HG2 THR 68 6.577 5.380 1.274 494 H GLU 69 H GLU 69 2.187 4.259 1.873 495 HA GLU 69 HA GLU 69 0.101 6.103 1.092 496 HB2 GLU 69 1HB GLU 69 -0.833 4.610 -0.637 497 HB3 GLU 69 2HB GLU 69 0.749 5.237 -1.080 498 HG2 GLU 69 1HG GLU 69 1.765 3.114 -0.365 499 HG3 GLU 69 2HG GLU 69 0.156 2.489 -0.006 500 H ASP 70 H ASP 70 -1.498 5.832 2.487 501 HA ASP 70 HA ASP 70 -1.622 3.881 4.439 502 HB2 ASP 70 1HB ASP 70 -4.142 4.540 4.498 503 HB3 ASP 70 2HB ASP 70 -2.927 5.758 4.876 504 H CYS 71 H CYS 71 -1.405 1.794 3.728 505 HA CYS 71 HA CYS 71 -3.617 0.749 2.086 506 HB2 CYS 71 1HB CYS 71 -2.085 -0.967 1.249 507 HB3 CYS 71 2HB CYS 71 -1.469 0.643 0.897 508 HG CYS 71 HG CYS 71 -0.378 -1.253 3.527 509 H VAL 72 H VAL 72 -4.007 -1.632 2.461 510 HA VAL 72 HA VAL 72 -3.635 -2.306 5.306 511 HB VAL 72 HB VAL 72 -6.107 -2.867 3.663 512 HG11 VAL 72 1HG1 VAL 72 -6.790 -4.242 5.279 513 HG12 VAL 72 2HG1 VAL 72 -5.131 -4.209 5.881 514 HG13 VAL 72 3HG1 VAL 72 -6.333 -3.100 6.543 515 HG21 VAL 72 1HG2 VAL 72 -5.315 -0.589 5.304 516 HG22 VAL 72 2HG2 VAL 72 -6.616 -0.736 4.122 517 HG23 VAL 72 3HG2 VAL 72 -6.862 -1.291 5.778 518 H PHE 73 H PHE 73 -2.034 -3.801 5.095 519 HA PHE 73 HA PHE 73 -1.831 -5.703 3.034 520 HB2 PHE 73 1HB PHE 73 0.013 -4.988 4.595 521 HB3 PHE 73 2HB PHE 73 -0.736 -5.987 5.836 522 HD1 PHE 73 2HD PHE 73 0.379 -6.286 2.286 523 HD2 PHE 73 1HD PHE 73 0.109 -8.094 6.130 524 HE1 PHE 73 2HE PHE 73 1.613 -8.243 1.448 525 HE2 PHE 73 1HE PHE 73 1.345 -10.053 5.299 526 HZ PHE 73 HZ PHE 73 2.097 -10.130 2.955 527 H ILE 74 H ILE 74 -2.413 -7.851 2.901 528 HA ILE 74 HA ILE 74 -4.102 -8.937 5.041 529 HB ILE 74 HB ILE 74 -4.841 -8.989 2.113 530 HG12 ILE 74 1HG1 ILE 74 -6.093 -7.541 4.456 531 HG13 ILE 74 2HG1 ILE 74 -5.241 -6.796 3.108 532 HG21 ILE 74 1HG2 ILE 74 -5.412 -10.895 3.956 533 HG22 ILE 74 2HG2 ILE 74 -6.797 -9.820 4.137 534 HG23 ILE 74 3HG2 ILE 74 -6.424 -10.519 2.562 535 HD11 ILE 74 1HD1 ILE 74 -6.966 -7.249 1.616 536 HD12 ILE 74 2HD1 ILE 74 -7.681 -8.470 2.670 537 HD13 ILE 74 3HD1 ILE 74 -7.793 -6.763 3.096 538 H TYR 75 H TYR 75 -3.095 -10.720 5.684 539 HA TYR 75 HA TYR 75 -1.430 -12.242 3.875 540 HB2 TYR 75 1HB TYR 75 -0.856 -11.774 6.298 541 HB3 TYR 75 2HB TYR 75 -2.119 -12.918 6.736 542 HD1 TYR 75 1HD TYR 75 -1.912 -15.268 5.486 543 HD2 TYR 75 2HD TYR 75 1.305 -12.565 6.161 544 HE1 TYR 75 1HE TYR 75 -0.313 -17.124 5.264 545 HE2 TYR 75 2HE TYR 75 2.912 -14.414 5.939 546 HH TYR 75 HH TYR 75 2.374 -17.372 6.305 547 H CYS 76 H CYS 76 -2.804 -13.193 2.395 548 HA CYS 76 HA CYS 76 -4.905 -14.959 3.420 549 HB2 CYS 76 1HB CYS 76 -5.535 -13.373 1.645 550 HB3 CYS 76 2HB CYS 76 -4.319 -14.076 0.586 551 HG CYS 76 HG CYS 76 -5.572 -16.549 0.375 552 H GLN 77 H GLN 77 -4.563 -17.068 3.584 553 HA GLN 77 HA GLN 77 -2.149 -18.226 2.472 554 HB2 GLN 77 1HB GLN 77 -4.296 -19.362 4.268 555 HB3 GLN 77 2HB GLN 77 -2.881 -20.261 3.738 556 HG2 GLN 77 1HG GLN 77 -1.415 -18.845 4.932 557 HG3 GLN 77 2HG GLN 77 -2.691 -17.666 5.235 558 HE21 GLN 77 1HE2 GLN 77 -4.245 -18.098 6.804 559 HE22 GLN 77 2HE2 GLN 77 -4.017 -19.314 8.009 560 H VAL 78 H VAL 78 -2.029 -19.579 0.777 561 HA VAL 78 HA VAL 78 -4.442 -19.993 -0.796 562 HB VAL 78 HB VAL 78 -3.001 -20.676 -2.591 563 HG11 VAL 78 1HG1 VAL 78 -2.643 -18.179 -1.184 564 HG12 VAL 78 2HG1 VAL 78 -1.198 -18.614 -2.099 565 HG13 VAL 78 3HG1 VAL 78 -2.756 -18.489 -2.917 566 HG21 VAL 78 1HG2 VAL 78 -0.959 -21.557 -2.349 567 HG22 VAL 78 2HG2 VAL 78 -0.442 -20.286 -1.241 568 HG23 VAL 78 3HG2 VAL 78 -1.354 -21.668 -0.634 569 H GLY 79 H GLY 79 -4.313 -21.464 1.628 570 HA2 GLY 79 1HA GLY 79 -4.913 -23.590 2.291 571 HA3 GLY 79 2HA GLY 79 -4.830 -24.087 0.607 572 H ASP 80 H ASP 80 -3.752 -25.999 0.968 573 HA ASP 80 HA ASP 80 -1.181 -25.905 2.354 574 HB2 ASP 80 1HB ASP 80 -2.612 -28.306 1.201 575 HB3 ASP 80 2HB ASP 80 -1.242 -28.322 2.308 576 H LYS 81 H LYS 81 0.377 -27.683 1.197 577 HA LYS 81 HA LYS 81 1.486 -26.385 -0.999 578 HB2 LYS 81 1HB LYS 81 3.031 -27.759 -0.034 579 HB3 LYS 81 2HB LYS 81 1.855 -29.021 0.307 580 HG2 LYS 81 1HG LYS 81 2.009 -29.912 -1.844 581 HG3 LYS 81 2HG LYS 81 2.767 -28.455 -2.490 582 HD2 LYS 81 1HD LYS 81 4.738 -28.935 -1.020 583 HD3 LYS 81 2HD LYS 81 3.985 -30.480 -0.617 584 HE2 LYS 81 1HE LYS 81 5.560 -30.871 -2.367 585 HE3 LYS 81 2HE LYS 81 3.944 -31.006 -3.059 586 HZ1 LYS 81 1HZ LYS 81 4.856 -29.661 -4.603 587 HZ2 LYS 81 2HZ LYS 81 6.013 -29.018 -3.550 588 HZ3 LYS 81 3HZ LYS 81 4.421 -28.446 -3.509 589 HA PRO 82 HA PRO 82 -0.518 -29.729 -3.854 590 HB2 PRO 82 1HB PRO 82 -2.418 -31.327 -2.754 591 HB3 PRO 82 2HB PRO 82 -0.699 -31.738 -2.753 592 HG2 PRO 82 1HG PRO 82 -2.361 -30.542 -0.570 593 HG3 PRO 82 2HG PRO 82 -1.136 -31.820 -0.471 594 HD2 PRO 82 1HD PRO 82 -0.621 -29.252 0.216 595 HD3 PRO 82 2HD PRO 82 0.613 -30.319 -0.486 596 H TYR 83 H TYR 83 -2.049 -27.640 -1.712 597 HA TYR 83 HA TYR 83 -4.649 -27.674 -2.978 598 HB2 TYR 83 1HB TYR 83 -4.542 -27.179 -0.609 599 HB3 TYR 83 2HB TYR 83 -3.443 -25.835 -0.901 600 HD1 TYR 83 2HD TYR 83 -4.394 -23.990 -2.550 601 HD2 TYR 83 1HD TYR 83 -6.787 -26.715 -0.326 602 HE1 TYR 83 2HE TYR 83 -6.310 -22.461 -2.749 603 HE2 TYR 83 1HE TYR 83 -8.710 -25.194 -0.519 604 HH TYR 83 HH TYR 83 -8.535 -22.250 -2.461 605 H TRP 84 H TRP 84 -1.699 -25.797 -3.123 606 HA TRP 84 HA TRP 84 -2.721 -23.590 -4.561 607 HB2 TRP 84 1HB TRP 84 -0.633 -23.246 -3.537 608 HB3 TRP 84 2HB TRP 84 0.036 -24.736 -4.195 609 HD1 TRP 84 HD TRP 84 1.967 -23.980 -5.708 610 HE1 TRP 84 1HE TRP 84 2.235 -22.299 -7.638 611 HE3 TRP 84 3HE TRP 84 -2.649 -21.789 -5.524 612 HZ2 TRP 84 2HZ TRP 84 0.695 -20.306 -8.913 613 HZ3 TRP 84 3HZ TRP 84 -3.171 -20.003 -7.133 614 HH2 TRP 84 HH TRP 84 -1.533 -19.278 -8.792 615 H LYS 85 H LYS 85 -0.979 -26.498 -5.654 616 HA LYS 85 HA LYS 85 -0.817 -26.073 -8.333 617 HB2 LYS 85 1HB LYS 85 -1.645 -28.670 -7.021 618 HB3 LYS 85 2HB LYS 85 -0.975 -28.507 -8.639 619 HG2 LYS 85 1HG LYS 85 1.135 -27.827 -7.789 620 HG3 LYS 85 2HG LYS 85 0.489 -27.654 -6.156 621 HD2 LYS 85 1HD LYS 85 -0.077 -30.162 -6.352 622 HD3 LYS 85 2HD LYS 85 1.053 -30.159 -7.709 623 HE2 LYS 85 1HE LYS 85 2.621 -28.951 -5.984 624 HE3 LYS 85 2HE LYS 85 1.563 -29.719 -4.802 625 HZ1 LYS 85 1HZ LYS 85 3.578 -30.886 -6.493 626 HZ2 LYS 85 2HZ LYS 85 2.117 -31.738 -6.504 627 HZ3 LYS 85 3HZ LYS 85 2.921 -31.457 -5.042 628 H ASP 86 H ASP 86 -3.670 -27.240 -6.580 629 HA ASP 86 HA ASP 86 -5.453 -27.942 -8.415 630 HB2 ASP 86 1HB ASP 86 -6.223 -25.764 -6.481 631 HB3 ASP 86 2HB ASP 86 -7.202 -27.109 -7.060 632 HA PRO 87 HA PRO 87 -4.992 -24.448 -11.286 633 HB2 PRO 87 1HB PRO 87 -5.840 -25.851 -13.450 634 HB3 PRO 87 2HB PRO 87 -4.181 -25.926 -12.847 635 HG2 PRO 87 1HG PRO 87 -6.444 -27.835 -12.408 636 HG3 PRO 87 2HG PRO 87 -4.743 -28.181 -12.770 637 HD2 PRO 87 1HD PRO 87 -5.762 -28.342 -10.266 638 HD3 PRO 87 2HD PRO 87 -4.083 -27.861 -10.584 639 H ASN 88 H ASN 88 -7.621 -26.139 -10.049 640 HA ASN 88 HA ASN 88 -9.546 -24.487 -11.544 641 HB2 ASN 88 1HB ASN 88 -11.244 -26.148 -10.624 642 HB3 ASN 88 2HB ASN 88 -10.121 -26.771 -11.830 643 HD21 ASN 88 1HD2 ASN 88 -9.385 -28.702 -11.376 644 HD22 ASN 88 2HD2 ASN 88 -9.096 -29.344 -9.799 645 H ASN 89 H ASN 89 -7.884 -23.696 -9.210 646 HA ASN 89 HA ASN 89 -9.841 -23.394 -7.075 647 HB2 ASN 89 1HB ASN 89 -7.906 -22.207 -5.925 648 HB3 ASN 89 2HB ASN 89 -7.666 -23.915 -6.281 649 HD21 ASN 89 1HD2 ASN 89 -5.401 -23.396 -6.047 650 HD22 ASN 89 2HD2 ASN 89 -4.539 -22.736 -7.391 651 H ASP 90 H ASP 90 -10.462 -21.351 -6.232 652 HA ASP 90 HA ASP 90 -11.207 -19.455 -8.144 653 HB2 ASP 90 1HB ASP 90 -11.472 -17.976 -5.976 654 HB3 ASP 90 2HB ASP 90 -12.535 -19.351 -6.263 655 H PHE 91 H PHE 91 -8.228 -19.921 -6.555 656 HA PHE 91 HA PHE 91 -7.276 -17.243 -6.591 657 HB2 PHE 91 1HB PHE 91 -5.899 -19.919 -6.406 658 HB3 PHE 91 2HB PHE 91 -5.000 -18.405 -6.426 659 HD1 PHE 91 2HD PHE 91 -5.823 -16.619 -4.673 660 HD2 PHE 91 1HD PHE 91 -6.508 -20.810 -4.381 661 HE1 PHE 91 2HE PHE 91 -6.149 -16.394 -2.244 662 HE2 PHE 91 1HE PHE 91 -6.837 -20.591 -1.953 663 HZ PHE 91 HZ PHE 91 -6.656 -18.381 -0.881 664 H ARG 92 H ARG 92 -6.936 -19.985 -8.810 665 HA ARG 92 HA ARG 92 -5.527 -18.292 -10.728 666 HB2 ARG 92 1HB ARG 92 -6.221 -21.222 -10.976 667 HB3 ARG 92 2HB ARG 92 -5.071 -20.316 -11.951 668 HG2 ARG 92 1HG ARG 92 -3.511 -20.204 -10.226 669 HG3 ARG 92 2HG ARG 92 -4.712 -20.588 -8.991 670 HD2 ARG 92 1HD ARG 92 -4.650 -22.830 -9.431 671 HD3 ARG 92 2HD ARG 92 -4.213 -22.595 -11.123 672 HE ARG 92 HE ARG 92 -2.433 -23.021 -8.965 673 HH11 ARG 92 2HH1 ARG 92 -2.779 -21.209 -11.918 674 HH12 ARG 92 1HH1 ARG 92 -1.073 -21.095 -12.201 675 HH21 ARG 92 2HH2 ARG 92 -0.185 -22.877 -9.327 676 HH22 ARG 92 1HH2 ARG 92 0.401 -22.045 -10.727 677 H GLN 93 H GLN 93 -8.669 -19.130 -9.980 678 HA GLN 93 HA GLN 93 -9.616 -19.006 -12.743 679 HB2 GLN 93 1HB GLN 93 -11.113 -19.529 -10.170 680 HB3 GLN 93 2HB GLN 93 -11.825 -19.558 -11.777 681 HG2 GLN 93 1HG GLN 93 -9.483 -21.304 -11.232 682 HG3 GLN 93 2HG GLN 93 -11.054 -21.760 -10.574 683 HE21 GLN 93 1HE2 GLN 93 -9.096 -21.518 -13.377 684 HE22 GLN 93 2HE2 GLN 93 -10.217 -22.211 -14.494 685 H LYS 94 H LYS 94 -10.019 -17.330 -9.643 686 HA LYS 94 HA LYS 94 -11.371 -15.128 -11.027 687 HB2 LYS 94 1HB LYS 94 -10.968 -15.354 -8.052 688 HB3 LYS 94 2HB LYS 94 -12.176 -14.418 -8.922 689 HG2 LYS 94 1HG LYS 94 -12.216 -17.359 -9.274 690 HG3 LYS 94 2HG LYS 94 -12.746 -16.709 -7.721 691 HD2 LYS 94 1HD LYS 94 -14.737 -16.633 -8.816 692 HD3 LYS 94 2HD LYS 94 -14.100 -15.069 -9.329 693 HE2 LYS 94 1HE LYS 94 -14.750 -15.946 -11.346 694 HE3 LYS 94 2HE LYS 94 -13.072 -16.484 -11.284 695 HZ1 LYS 94 1HZ LYS 94 -15.485 -18.086 -10.643 696 HZ2 LYS 94 2HZ LYS 94 -13.904 -18.613 -10.359 697 HZ3 LYS 94 3HZ LYS 94 -14.423 -18.313 -11.941 698 H LEU 95 H LEU 95 -8.782 -15.606 -8.620 699 HA LEU 95 HA LEU 95 -7.778 -12.942 -8.975 700 HB2 LEU 95 1HB LEU 95 -6.825 -15.358 -7.474 701 HB3 LEU 95 2HB LEU 95 -5.835 -13.906 -7.601 702 HG LEU 95 HG LEU 95 -8.582 -14.046 -6.361 703 HD11 LEU 95 1HD1 LEU 95 -5.841 -14.333 -5.276 704 HD12 LEU 95 2HD1 LEU 95 -7.356 -15.058 -4.742 705 HD13 LEU 95 3HD1 LEU 95 -6.992 -13.380 -4.339 706 HD21 LEU 95 1HD2 LEU 95 -8.180 -11.871 -7.307 707 HD22 LEU 95 2HD2 LEU 95 -6.576 -11.805 -6.577 708 HD23 LEU 95 3HD2 LEU 95 -8.014 -11.772 -5.554 709 H LYS 96 H LYS 96 -7.436 -15.840 -10.670 710 HA LYS 96 HA LYS 96 -5.958 -16.619 -12.233 711 HB2 LYS 96 1HB LYS 96 -6.290 -13.701 -12.756 712 HB3 LYS 96 2HB LYS 96 -5.088 -14.580 -13.692 713 HG2 LYS 96 1HG LYS 96 -6.951 -14.717 -15.035 714 HG3 LYS 96 2HG LYS 96 -7.025 -16.241 -14.148 715 HD2 LYS 96 1HD LYS 96 -9.189 -15.530 -13.907 716 HD3 LYS 96 2HD LYS 96 -8.464 -14.803 -12.470 717 HE2 LYS 96 1HE LYS 96 -9.753 -13.098 -13.454 718 HE3 LYS 96 2HE LYS 96 -8.084 -12.734 -13.890 719 HZ1 LYS 96 1HZ LYS 96 -8.471 -13.746 -16.053 720 HZ2 LYS 96 2HZ LYS 96 -9.556 -12.478 -15.781 721 HZ3 LYS 96 3HZ LYS 96 -10.075 -14.081 -15.635 722 H ILE 97 H ILE 97 -4.718 -16.451 -9.786 723 HA ILE 97 HA ILE 97 -2.350 -14.965 -9.688 724 HB ILE 97 HB ILE 97 -2.910 -17.668 -8.461 725 HG12 ILE 97 1HG1 ILE 97 -4.520 -15.974 -7.755 726 HG13 ILE 97 2HG1 ILE 97 -3.427 -16.360 -6.430 727 HG21 ILE 97 1HG2 ILE 97 -0.746 -15.645 -7.922 728 HG22 ILE 97 2HG2 ILE 97 -1.137 -16.978 -6.838 729 HG23 ILE 97 3HG2 ILE 97 -0.552 -17.310 -8.468 730 HD11 ILE 97 1HD1 ILE 97 -2.110 -14.324 -7.060 731 HD12 ILE 97 2HD1 ILE 97 -3.421 -13.912 -8.166 732 HD13 ILE 97 3HD1 ILE 97 -3.730 -14.018 -6.433 733 H THR 98 H THR 98 -0.172 -15.571 -10.061 734 HA THR 98 HA THR 98 0.123 -17.430 -12.310 735 HB THR 98 HB THR 98 2.159 -15.431 -11.319 736 HG1 THR 98 1HG THR 98 1.346 -14.200 -13.183 737 HG21 THR 98 1HG2 THR 98 2.101 -16.178 -14.146 738 HG22 THR 98 2HG2 THR 98 2.446 -17.529 -13.065 739 HG23 THR 98 3HG2 THR 98 3.460 -16.087 -13.027 740 H ALA 99 H ALA 99 2.112 -16.445 -9.513 741 HA ALA 99 HA ALA 99 2.520 -19.220 -8.780 742 HB1 ALA 99 1HB ALA 99 4.843 -19.312 -9.069 743 HB2 ALA 99 2HB ALA 99 4.236 -18.608 -10.568 744 HB3 ALA 99 3HB ALA 99 4.967 -17.574 -9.340 745 H VAL 100 H VAL 100 2.566 -19.385 -6.635 746 HA VAL 100 HA VAL 100 2.697 -16.981 -5.025 747 HB VAL 100 HB VAL 100 1.950 -18.295 -3.198 748 HG11 VAL 100 1HG1 VAL 100 0.496 -19.761 -5.321 749 HG12 VAL 100 2HG1 VAL 100 -0.123 -18.826 -3.959 750 HG13 VAL 100 3HG1 VAL 100 0.473 -18.000 -5.399 751 HG21 VAL 100 1HG2 VAL 100 1.705 -20.887 -3.752 752 HG22 VAL 100 2HG2 VAL 100 3.115 -20.536 -4.752 753 HG23 VAL 100 3HG2 VAL 100 3.160 -20.213 -3.019 754 HA PRO 101 HA PRO 101 2.968 -16.638 -2.755 755 HB2 PRO 101 1HB PRO 101 4.525 -14.598 -1.869 756 HB3 PRO 101 2HB PRO 101 4.382 -16.138 -1.013 757 HG2 PRO 101 1HG PRO 101 6.538 -15.192 -2.862 758 HG3 PRO 101 2HG PRO 101 6.685 -16.059 -1.323 759 HD2 PRO 101 1HD PRO 101 6.896 -17.301 -3.720 760 HD3 PRO 101 2HD PRO 101 6.225 -18.103 -2.285 761 H THR 102 H THR 102 1.704 -15.138 -3.680 762 HA THR 102 HA THR 102 2.877 -13.469 -5.809 763 HB THR 102 HB THR 102 0.017 -14.431 -5.609 764 HG1 THR 102 1HG THR 102 2.017 -15.239 -7.466 765 HG21 THR 102 1HG2 THR 102 -0.112 -12.470 -6.835 766 HG22 THR 102 2HG2 THR 102 0.151 -13.669 -8.100 767 HG23 THR 102 3HG2 THR 102 1.494 -12.678 -7.531 768 H LEU 103 H LEU 103 3.024 -11.403 -5.259 769 HA LEU 103 HA LEU 103 1.169 -10.313 -3.268 770 HB2 LEU 103 1HB LEU 103 3.601 -10.095 -2.878 771 HB3 LEU 103 2HB LEU 103 3.725 -9.138 -4.353 772 HG LEU 103 HG LEU 103 2.196 -7.462 -3.287 773 HD11 LEU 103 1HD1 LEU 103 2.749 -9.057 -0.790 774 HD12 LEU 103 2HD1 LEU 103 1.201 -8.993 -1.633 775 HD13 LEU 103 3HD1 LEU 103 1.865 -7.534 -0.896 776 HD21 LEU 103 1HD2 LEU 103 4.784 -7.473 -3.292 777 HD22 LEU 103 2HD2 LEU 103 4.622 -7.848 -1.576 778 HD23 LEU 103 3HD2 LEU 103 3.934 -6.358 -2.222 779 H LEU 104 H LEU 104 -0.643 -9.785 -4.414 780 HA LEU 104 HA LEU 104 -0.350 -8.113 -6.800 781 HB2 LEU 104 1HB LEU 104 -1.864 -9.751 -7.322 782 HB3 LEU 104 2HB LEU 104 -2.506 -9.830 -5.682 783 HG LEU 104 HG LEU 104 -3.618 -7.610 -6.137 784 HD11 LEU 104 1HD1 LEU 104 -3.341 -6.535 -8.062 785 HD12 LEU 104 2HD1 LEU 104 -3.660 -7.992 -9.002 786 HD13 LEU 104 3HD1 LEU 104 -2.031 -7.662 -8.414 787 HD21 LEU 104 1HD2 LEU 104 -4.624 -9.983 -6.325 788 HD22 LEU 104 2HD2 LEU 104 -4.572 -9.694 -8.064 789 HD23 LEU 104 3HD2 LEU 104 -5.509 -8.624 -7.020 790 H LYS 105 H LYS 105 -0.569 -5.986 -6.677 791 HA LYS 105 HA LYS 105 -1.465 -4.756 -4.216 792 HB2 LYS 105 1HB LYS 105 0.502 -3.875 -5.390 793 HB3 LYS 105 2HB LYS 105 -0.490 -3.520 -6.798 794 HG2 LYS 105 1HG LYS 105 -1.723 -1.860 -5.584 795 HG3 LYS 105 2HG LYS 105 -0.908 -2.295 -4.080 796 HD2 LYS 105 1HD LYS 105 1.228 -1.570 -5.029 797 HD3 LYS 105 2HD LYS 105 0.415 -1.141 -6.536 798 HE2 LYS 105 1HE LYS 105 -0.498 0.037 -3.942 799 HE3 LYS 105 2HE LYS 105 0.913 0.700 -4.767 800 HZ1 LYS 105 1HZ LYS 105 -1.828 1.088 -5.345 801 HZ2 LYS 105 2HZ LYS 105 -1.052 0.420 -6.691 802 HZ3 LYS 105 3HZ LYS 105 -0.480 1.861 -6.015 803 H TYR 106 H TYR 106 -3.654 -5.008 -4.034 804 HA TYR 106 HA TYR 106 -5.587 -4.919 -5.975 805 HB2 TYR 106 1HB TYR 106 -5.709 -5.266 -3.355 806 HB3 TYR 106 2HB TYR 106 -6.169 -3.567 -3.375 807 HD1 TYR 106 2HD TYR 106 -7.011 -6.631 -5.357 808 HD2 TYR 106 1HD TYR 106 -8.435 -3.196 -3.289 809 HE1 TYR 106 2HE TYR 106 -9.324 -7.270 -5.899 810 HE2 TYR 106 1HE TYR 106 -10.751 -3.826 -3.824 811 HH TYR 106 HH TYR 106 -11.676 -5.676 -6.094 812 H GLY 107 H GLY 107 -5.821 -3.443 -7.524 813 HA2 GLY 107 1HA GLY 107 -6.894 -1.181 -7.790 814 HA3 GLY 107 2HA GLY 107 -5.585 -0.595 -6.773 815 H THR 108 H THR 108 -3.600 -2.347 -8.025 816 HA THR 108 HA THR 108 -3.451 -1.171 -10.717 817 HB THR 108 HB THR 108 -1.034 -0.749 -10.389 818 HG1 THR 108 1HG THR 108 -0.451 -2.045 -8.710 819 HG21 THR 108 1HG2 THR 108 -2.985 0.632 -8.559 820 HG22 THR 108 2HG2 THR 108 -2.412 1.156 -10.142 821 HG23 THR 108 3HG2 THR 108 -1.321 1.180 -8.757 822 HA PRO 109 HA PRO 109 -2.294 -5.195 -12.052 823 HB2 PRO 109 1HB PRO 109 -0.792 -4.578 -14.227 824 HB3 PRO 109 2HB PRO 109 -2.552 -4.413 -14.197 825 HG2 PRO 109 1HG PRO 109 -0.447 -2.318 -13.825 826 HG3 PRO 109 2HG PRO 109 -1.951 -2.239 -14.761 827 HD2 PRO 109 1HD PRO 109 -1.710 -1.146 -12.295 828 HD3 PRO 109 2HD PRO 109 -3.238 -1.823 -12.894 829 H GLN 110 H GLN 110 -0.192 -3.140 -10.571 830 HA GLN 110 HA GLN 110 2.280 -4.494 -11.162 831 HB2 GLN 110 1HB GLN 110 1.451 -2.278 -9.331 832 HB3 GLN 110 2HB GLN 110 2.990 -3.085 -9.060 833 HG2 GLN 110 1HG GLN 110 3.275 -2.602 -11.647 834 HG3 GLN 110 2HG GLN 110 2.137 -1.309 -11.272 835 HE21 GLN 110 1HE2 GLN 110 2.798 -0.282 -8.999 836 HE22 GLN 110 2HE2 GLN 110 4.440 0.252 -8.946 837 H LYS 111 H LYS 111 2.924 -6.337 -10.286 838 HA LYS 111 HA LYS 111 2.183 -6.971 -7.531 839 HB2 LYS 111 1HB LYS 111 1.663 -9.336 -8.249 840 HB3 LYS 111 2HB LYS 111 0.472 -8.126 -8.709 841 HG2 LYS 111 1HG LYS 111 0.637 -9.297 -10.656 842 HG3 LYS 111 2HG LYS 111 1.868 -8.063 -10.932 843 HD2 LYS 111 1HD LYS 111 3.618 -9.546 -10.542 844 HD3 LYS 111 2HD LYS 111 2.590 -10.677 -9.659 845 HE2 LYS 111 1HE LYS 111 1.388 -11.120 -11.813 846 HE3 LYS 111 2HE LYS 111 2.616 -10.151 -12.626 847 HZ1 LYS 111 1HZ LYS 111 4.296 -11.687 -11.959 848 HZ2 LYS 111 2HZ LYS 111 3.048 -12.571 -12.680 849 HZ3 LYS 111 3HZ LYS 111 3.212 -12.559 -10.997 850 H LEU 112 H LEU 112 3.477 -8.734 -6.621 851 HA LEU 112 HA LEU 112 6.080 -9.002 -7.977 852 HB2 LEU 112 1HB LEU 112 5.599 -8.906 -5.005 853 HB3 LEU 112 2HB LEU 112 7.160 -8.988 -5.820 854 HG LEU 112 HG LEU 112 5.244 -6.657 -5.859 855 HD11 LEU 112 1HD1 LEU 112 7.451 -7.423 -4.128 856 HD12 LEU 112 2HD1 LEU 112 6.215 -6.184 -3.910 857 HD13 LEU 112 3HD1 LEU 112 7.664 -5.828 -4.850 858 HD21 LEU 112 1HD2 LEU 112 6.868 -5.487 -7.154 859 HD22 LEU 112 2HD2 LEU 112 6.530 -7.010 -7.977 860 HD23 LEU 112 3HD2 LEU 112 8.012 -6.825 -7.036 861 H VAL 113 H VAL 113 6.590 -11.015 -8.497 862 HA VAL 113 HA VAL 113 5.071 -13.232 -7.416 863 HB VAL 113 HB VAL 113 7.375 -13.705 -9.235 864 HG11 VAL 113 1HG1 VAL 113 6.302 -15.674 -9.065 865 HG12 VAL 113 2HG1 VAL 113 4.788 -14.922 -8.557 866 HG13 VAL 113 3HG1 VAL 113 5.216 -14.979 -10.268 867 HG21 VAL 113 1HG2 VAL 113 5.555 -13.147 -11.095 868 HG22 VAL 113 2HG2 VAL 113 5.054 -11.974 -9.877 869 HG23 VAL 113 3HG2 VAL 113 6.701 -11.942 -10.506 870 H GLU 114 H GLU 114 6.464 -15.317 -7.046 871 HA GLU 114 HA GLU 114 7.627 -15.354 -4.662 872 HB2 GLU 114 1HB GLU 114 8.962 -16.857 -6.904 873 HB3 GLU 114 2HB GLU 114 8.774 -17.347 -5.226 874 HG2 GLU 114 1HG GLU 114 6.264 -17.343 -5.692 875 HG3 GLU 114 2HG GLU 114 6.711 -17.279 -7.396 876 H SER 115 H SER 115 9.639 -14.970 -7.586 877 HA SER 115 HA SER 115 12.013 -14.345 -6.269 878 HB2 SER 115 1HB SER 115 10.978 -13.774 -9.030 879 HB3 SER 115 2HB SER 115 12.532 -13.121 -8.512 880 HG SER 115 HG SER 115 13.371 -15.079 -8.504 881 H GLU 116 H GLU 116 9.513 -12.178 -7.563 882 HA GLU 116 HA GLU 116 10.821 -9.789 -6.745 883 HB2 GLU 116 1HB GLU 116 7.875 -10.168 -7.296 884 HB3 GLU 116 2HB GLU 116 8.778 -8.661 -7.351 885 HG2 GLU 116 1HG GLU 116 10.179 -9.957 -9.162 886 HG3 GLU 116 2HG GLU 116 8.694 -10.897 -9.302 887 H CYS 117 H CYS 117 9.145 -12.165 -5.038 888 HA CYS 117 HA CYS 117 8.185 -10.387 -2.951 889 HB2 CYS 117 1HB CYS 117 8.093 -13.389 -3.278 890 HB3 CYS 117 2HB CYS 117 7.472 -12.549 -1.861 891 HG CYS 117 HG CYS 117 5.935 -13.208 -4.636 892 H CYS 118 H CYS 118 11.046 -11.979 -3.737 893 HA CYS 118 HA CYS 118 11.944 -11.965 -0.933 894 HB2 CYS 118 1HB CYS 118 12.145 -14.160 -1.938 895 HB3 CYS 118 2HB CYS 118 13.007 -13.491 -3.317 896 HG CYS 118 HG CYS 118 14.662 -14.981 -1.458 897 H GLN 119 H GLN 119 12.076 -10.205 -3.736 898 HA GLN 119 HA GLN 119 14.801 -9.233 -3.287 899 HB2 GLN 119 1HB GLN 119 12.870 -9.081 -5.562 900 HB3 GLN 119 2HB GLN 119 14.103 -7.836 -5.415 901 HG2 GLN 119 1HG GLN 119 14.557 -9.933 -6.861 902 HG3 GLN 119 2HG GLN 119 15.827 -9.298 -5.816 903 HE21 GLN 119 1HE2 GLN 119 14.004 -11.993 -6.656 904 HE22 GLN 119 2HE2 GLN 119 14.486 -13.039 -5.369 905 H SER 120 H SER 120 14.554 -8.000 -1.437 906 HA SER 120 HA SER 120 12.594 -6.299 -0.668 907 HB2 SER 120 1HB SER 120 14.555 -4.822 0.229 908 HB3 SER 120 2HB SER 120 14.361 -6.464 0.842 909 HG SER 120 HG SER 120 15.857 -6.645 -1.308 910 H SER 121 H SER 121 15.347 -5.325 -2.716 911 HA SER 121 HA SER 121 14.861 -2.741 -3.229 912 HB2 SER 121 1HB SER 121 16.501 -4.485 -4.373 913 HB3 SER 121 2HB SER 121 15.289 -4.435 -5.653 914 HG SER 121 HG SER 121 16.906 -2.863 -5.977 915 H LEU 122 H LEU 122 12.954 -5.427 -4.439 916 HA LEU 122 HA LEU 122 11.304 -3.732 -6.102 917 HB2 LEU 122 1HB LEU 122 11.250 -6.646 -5.382 918 HB3 LEU 122 2HB LEU 122 9.942 -5.890 -6.290 919 HG LEU 122 HG LEU 122 12.823 -5.991 -7.182 920 HD11 LEU 122 1HD1 LEU 122 11.908 -7.608 -8.875 921 HD12 LEU 122 2HD1 LEU 122 10.453 -7.708 -7.883 922 HD13 LEU 122 3HD1 LEU 122 12.007 -8.217 -7.223 923 HD21 LEU 122 1HD2 LEU 122 11.916 -5.261 -9.332 924 HD22 LEU 122 2HD2 LEU 122 11.590 -4.080 -8.063 925 HD23 LEU 122 3HD2 LEU 122 10.306 -5.154 -8.620 926 H VAL 123 H VAL 123 10.919 -5.571 -3.088 927 HA VAL 123 HA VAL 123 8.250 -5.036 -2.570 928 HB VAL 123 HB VAL 123 10.501 -5.275 -0.568 929 HG11 VAL 123 1HG1 VAL 123 7.647 -5.935 0.016 930 HG12 VAL 123 2HG1 VAL 123 8.953 -5.514 1.126 931 HG13 VAL 123 3HG1 VAL 123 8.202 -4.266 0.131 932 HG21 VAL 123 1HG2 VAL 123 8.577 -7.377 -1.552 933 HG22 VAL 123 2HG2 VAL 123 10.233 -7.192 -2.130 934 HG23 VAL 123 3HG2 VAL 123 9.928 -7.607 -0.443 935 H GLU 124 H GLU 124 11.104 -3.139 -1.613 936 HA GLU 124 HA GLU 124 9.605 -1.092 -0.332 937 HB2 GLU 124 1HB GLU 124 11.675 0.107 -0.172 938 HB3 GLU 124 2HB GLU 124 12.011 -1.594 0.118 939 HG2 GLU 124 1HG GLU 124 12.793 -1.819 -2.198 940 HG3 GLU 124 2HG GLU 124 12.501 -0.099 -2.447 941 H MET 125 H MET 125 10.349 -1.781 -3.606 942 HA MET 125 HA MET 125 10.049 0.918 -4.566 943 HB2 MET 125 1HB MET 125 11.460 -0.752 -5.733 944 HB3 MET 125 2HB MET 125 10.017 -1.686 -6.102 945 HG2 MET 125 1HG MET 125 9.177 0.463 -7.237 946 HG3 MET 125 2HG MET 125 10.863 0.972 -7.177 947 HE1 MET 125 1HE MET 125 8.224 -1.314 -8.433 948 HE2 MET 125 2HE MET 125 8.924 -2.194 -9.791 949 HE3 MET 125 3HE MET 125 9.224 -2.737 -8.139 950 H ILE 126 H ILE 126 8.143 -2.066 -5.026 951 HA ILE 126 HA ILE 126 5.947 -0.987 -6.279 952 HB ILE 126 HB ILE 126 6.337 -3.420 -5.855 953 HG12 ILE 126 1HG1 ILE 126 3.586 -2.627 -4.923 954 HG13 ILE 126 2HG1 ILE 126 4.119 -2.322 -6.573 955 HG21 ILE 126 1HG2 ILE 126 5.944 -2.528 -3.114 956 HG22 ILE 126 2HG2 ILE 126 4.941 -3.915 -3.536 957 HG23 ILE 126 3HG2 ILE 126 6.691 -4.002 -3.729 958 HD11 ILE 126 1HD1 ILE 126 4.619 -4.782 -6.738 959 HD12 ILE 126 2HD1 ILE 126 3.772 -4.967 -5.201 960 HD13 ILE 126 3HD1 ILE 126 2.915 -4.344 -6.611 961 H PHE 127 H PHE 127 6.943 -0.581 -3.012 962 HA PHE 127 HA PHE 127 4.326 0.405 -2.174 963 HB2 PHE 127 1HB PHE 127 6.906 -0.059 -0.675 964 HB3 PHE 127 2HB PHE 127 5.488 0.686 0.056 965 HD1 PHE 127 2HD PHE 127 3.296 -0.897 -1.005 966 HD2 PHE 127 1HD PHE 127 7.151 -2.125 0.317 967 HE1 PHE 127 2HE PHE 127 2.399 -3.126 -0.472 968 HE2 PHE 127 1HE PHE 127 6.261 -4.356 0.851 969 HZ PHE 127 HZ PHE 127 3.882 -4.859 0.458 970 H SER 128 H SER 128 7.546 1.537 -2.941 971 HA SER 128 HA SER 128 7.363 4.136 -1.901 972 HB2 SER 128 1HB SER 128 9.292 4.634 -3.159 973 HB3 SER 128 2HB SER 128 9.422 2.903 -2.844 974 HG SER 128 HG SER 128 8.327 2.698 -4.979 975 H GLU 129 H GLU 129 6.374 2.784 -5.007 976 HA GLU 129 HA GLU 129 5.598 5.325 -6.096 977 HB2 GLU 129 1HB GLU 129 4.981 2.513 -7.020 978 HB3 GLU 129 2HB GLU 129 4.634 3.974 -7.933 979 HG2 GLU 129 1HG GLU 129 7.423 3.433 -7.033 980 HG3 GLU 129 2HG GLU 129 6.773 2.582 -8.433 981 H ASP 130 H ASP 130 3.292 5.524 -7.000 982 HA ASP 130 HA ASP 130 1.389 4.744 -4.888 983 HB2 ASP 130 1HB ASP 130 2.011 7.228 -5.134 984 HB3 ASP 130 2HB ASP 130 1.079 7.182 -6.628 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.797 29.120 16.234 2 HA2 GLY 1 1HA GLY 1 -0.437 26.766 17.255 3 HA3 GLY 1 2HA GLY 1 -0.302 27.214 15.561 4 H SER 2 H SER 2 0.987 26.026 14.312 5 HA SER 2 HA SER 2 3.312 24.691 15.425 6 HB2 SER 2 1HB SER 2 1.308 23.151 15.746 7 HB3 SER 2 2HB SER 2 1.236 23.033 13.988 8 HG SER 2 HG SER 2 3.610 22.494 15.422 9 H GLU 3 H GLU 3 4.764 23.898 13.820 10 HA GLU 3 HA GLU 3 4.774 25.483 11.443 11 HB2 GLU 3 1HB GLU 3 6.836 24.864 12.673 12 HB3 GLU 3 2HB GLU 3 6.584 23.186 12.211 13 HG2 GLU 3 1HG GLU 3 6.759 23.850 9.840 14 HG3 GLU 3 2HG GLU 3 7.118 25.496 10.359 15 H GLY 4 H GLY 4 3.112 24.948 10.083 16 HA2 GLY 4 1HA GLY 4 1.885 23.720 8.575 17 HA3 GLY 4 2HA GLY 4 3.426 22.963 8.202 18 H ALA 5 H ALA 5 1.686 21.232 7.746 19 HA ALA 5 HA ALA 5 1.640 19.467 10.081 20 HB1 ALA 5 1HB ALA 5 -0.800 19.491 8.386 21 HB2 ALA 5 2HB ALA 5 -0.611 19.093 10.094 22 HB3 ALA 5 3HB ALA 5 -0.598 20.778 9.575 23 H ALA 6 H ALA 6 1.303 17.205 9.525 24 HA ALA 6 HA ALA 6 1.310 16.329 6.817 25 HB1 ALA 6 1HB ALA 6 3.498 16.754 6.452 26 HB2 ALA 6 2HB ALA 6 3.900 16.745 8.170 27 HB3 ALA 6 3HB ALA 6 3.707 15.222 7.301 28 H THR 7 H THR 7 0.717 14.231 6.691 29 HA THR 7 HA THR 7 0.446 12.780 9.228 30 HB THR 7 HB THR 7 -1.661 12.965 8.165 31 HG1 THR 7 1HG THR 7 -1.899 10.642 7.368 32 HG21 THR 7 1HG2 THR 7 -0.137 12.318 5.674 33 HG22 THR 7 2HG2 THR 7 -1.301 13.609 5.972 34 HG23 THR 7 3HG2 THR 7 -1.859 11.950 5.765 35 H MET 8 H MET 8 0.905 10.506 9.309 36 HA MET 8 HA MET 8 3.096 9.756 7.501 37 HB2 MET 8 1HB MET 8 2.450 9.066 10.345 38 HB3 MET 8 2HB MET 8 3.464 7.992 9.392 39 HG2 MET 8 1HG MET 8 5.062 9.288 10.351 40 HG3 MET 8 2HG MET 8 4.767 10.215 8.881 41 HE1 MET 8 1HE MET 8 5.183 12.668 9.306 42 HE2 MET 8 2HE MET 8 3.522 12.454 8.753 43 HE3 MET 8 3HE MET 8 3.878 13.583 10.062 44 H ALA 9 H ALA 9 3.272 7.482 6.887 45 HA ALA 9 HA ALA 9 0.808 6.488 5.867 46 HB1 ALA 9 1HB ALA 9 2.104 5.270 4.516 47 HB2 ALA 9 2HB ALA 9 3.454 6.166 5.212 48 HB3 ALA 9 3HB ALA 9 3.016 4.586 5.862 49 H THR 10 H THR 10 -0.413 4.747 6.482 50 HA THR 10 HA THR 10 0.297 3.493 9.055 51 HB THR 10 HB THR 10 -2.214 3.223 9.370 52 HG1 THR 10 1HG THR 10 -3.503 4.090 7.929 53 HG21 THR 10 1HG2 THR 10 -2.195 5.052 10.691 54 HG22 THR 10 2HG2 THR 10 -1.765 6.130 9.363 55 HG23 THR 10 3HG2 THR 10 -0.515 5.184 10.172 56 H PHE 11 H PHE 11 0.518 1.357 9.006 57 HA PHE 11 HA PHE 11 -0.681 -0.120 6.756 58 HB2 PHE 11 1HB PHE 11 1.201 -1.432 6.570 59 HB3 PHE 11 2HB PHE 11 1.932 0.074 7.116 60 HD1 PHE 11 2HD PHE 11 2.543 0.330 9.525 61 HD2 PHE 11 1HD PHE 11 1.342 -3.396 7.854 62 HE1 PHE 11 2HE PHE 11 3.537 -0.847 11.444 63 HE2 PHE 11 1HE PHE 11 2.333 -4.579 9.770 64 HZ PHE 11 HZ PHE 11 3.434 -3.304 11.567 65 H GLU 12 H GLU 12 -2.125 -1.644 7.225 66 HA GLU 12 HA GLU 12 -2.282 -2.597 10.010 67 HB2 GLU 12 1HB GLU 12 -4.200 -1.215 9.482 68 HB3 GLU 12 2HB GLU 12 -4.506 -2.136 8.017 69 HG2 GLU 12 1HG GLU 12 -6.080 -2.875 9.597 70 HG3 GLU 12 2HG GLU 12 -4.862 -4.145 9.491 71 H GLU 13 H GLU 13 -1.914 -4.689 10.289 72 HA GLU 13 HA GLU 13 -1.718 -6.440 7.990 73 HB2 GLU 13 1HB GLU 13 -0.165 -6.316 10.106 74 HB3 GLU 13 2HB GLU 13 -1.373 -7.383 10.809 75 HG2 GLU 13 1HG GLU 13 -0.238 -8.068 8.148 76 HG3 GLU 13 2HG GLU 13 0.743 -8.332 9.588 77 H VAL 14 H VAL 14 -3.204 -7.862 7.351 78 HA VAL 14 HA VAL 14 -5.360 -8.586 9.221 79 HB VAL 14 HB VAL 14 -5.715 -7.963 6.285 80 HG11 VAL 14 1HG1 VAL 14 -7.577 -9.165 6.397 81 HG12 VAL 14 2HG1 VAL 14 -7.271 -9.532 8.096 82 HG13 VAL 14 3HG1 VAL 14 -8.176 -8.084 7.654 83 HG21 VAL 14 1HG2 VAL 14 -6.028 -6.366 8.743 84 HG22 VAL 14 2HG2 VAL 14 -5.696 -5.851 7.089 85 HG23 VAL 14 3HG2 VAL 14 -7.344 -6.249 7.575 86 H SER 15 H SER 15 -5.146 -10.686 9.618 87 HA SER 15 HA SER 15 -4.032 -12.464 7.603 88 HB2 SER 15 1HB SER 15 -3.178 -12.745 9.842 89 HB3 SER 15 2HB SER 15 -4.809 -12.906 10.494 90 HG SER 15 HG SER 15 -3.215 -14.770 9.268 91 H VAL 16 H VAL 16 -5.135 -14.000 6.511 92 HA VAL 16 HA VAL 16 -7.832 -14.733 7.283 93 HB VAL 16 HB VAL 16 -8.724 -14.237 4.983 94 HG11 VAL 16 1HG1 VAL 16 -9.142 -11.857 5.453 95 HG12 VAL 16 2HG1 VAL 16 -9.338 -12.867 6.887 96 HG13 VAL 16 3HG1 VAL 16 -7.880 -11.894 6.685 97 HG21 VAL 16 1HG2 VAL 16 -7.587 -12.970 3.449 98 HG22 VAL 16 2HG2 VAL 16 -6.581 -12.193 4.671 99 HG23 VAL 16 3HG2 VAL 16 -6.246 -13.853 4.179 100 H LEU 17 H LEU 17 -8.634 -16.577 6.145 101 HA LEU 17 HA LEU 17 -6.612 -18.019 4.568 102 HB2 LEU 17 1HB LEU 17 -6.964 -18.724 7.049 103 HB3 LEU 17 2HB LEU 17 -8.442 -19.464 6.439 104 HG LEU 17 HG LEU 17 -5.696 -20.108 5.376 105 HD11 LEU 17 1HD1 LEU 17 -5.382 -21.682 6.950 106 HD12 LEU 17 2HD1 LEU 17 -7.098 -22.073 7.055 107 HD13 LEU 17 3HD1 LEU 17 -6.461 -20.666 7.907 108 HD21 LEU 17 1HD2 LEU 17 -8.392 -20.795 4.614 109 HD22 LEU 17 2HD2 LEU 17 -7.466 -22.235 5.038 110 HD23 LEU 17 3HD2 LEU 17 -6.869 -21.136 3.793 111 H GLY 18 H GLY 18 -7.518 -17.881 2.583 112 HA2 GLY 18 1HA GLY 18 -8.998 -19.243 1.152 113 HA3 GLY 18 2HA GLY 18 -10.274 -18.916 2.315 114 H PHE 19 H PHE 19 -10.990 -18.371 -0.127 115 HA PHE 19 HA PHE 19 -10.288 -15.695 -0.938 116 HB2 PHE 19 1HB PHE 19 -10.855 -17.533 -2.551 117 HB3 PHE 19 2HB PHE 19 -12.521 -17.442 -1.988 118 HD1 PHE 19 2HD PHE 19 -13.609 -15.064 -2.108 119 HD2 PHE 19 1HD PHE 19 -10.219 -16.285 -4.373 120 HE1 PHE 19 2HE PHE 19 -14.063 -13.281 -3.742 121 HE2 PHE 19 1HE PHE 19 -10.666 -14.503 -6.010 122 HZ PHE 19 HZ PHE 19 -12.591 -12.999 -5.696 123 H GLU 20 H GLU 20 -12.895 -17.268 0.787 124 HA GLU 20 HA GLU 20 -14.833 -15.266 0.679 125 HB2 GLU 20 1HB GLU 20 -14.197 -17.303 2.811 126 HB3 GLU 20 2HB GLU 20 -15.589 -16.234 2.903 127 HG2 GLU 20 1HG GLU 20 -15.075 -18.113 0.615 128 HG3 GLU 20 2HG GLU 20 -16.065 -18.514 2.017 129 H GLU 21 H GLU 21 -12.768 -15.904 3.516 130 HA GLU 21 HA GLU 21 -13.249 -13.513 4.824 131 HB2 GLU 21 1HB GLU 21 -10.816 -15.298 4.862 132 HB3 GLU 21 2HB GLU 21 -11.025 -13.934 5.952 133 HG2 GLU 21 1HG GLU 21 -11.657 -15.952 7.076 134 HG3 GLU 21 2HG GLU 21 -13.094 -14.968 6.802 135 H PHE 22 H PHE 22 -10.725 -14.291 2.465 136 HA PHE 22 HA PHE 22 -9.250 -11.944 2.590 137 HB2 PHE 22 1HB PHE 22 -8.359 -13.720 1.306 138 HB3 PHE 22 2HB PHE 22 -9.812 -13.842 0.319 139 HD1 PHE 22 2HD PHE 22 -7.882 -10.804 1.225 140 HD2 PHE 22 1HD PHE 22 -9.032 -13.518 -1.846 141 HE1 PHE 22 2HE PHE 22 -6.859 -9.329 -0.457 142 HE2 PHE 22 1HE PHE 22 -8.010 -12.047 -3.533 143 HZ PHE 22 HZ PHE 22 -6.923 -9.949 -2.840 144 H ASP 23 H ASP 23 -11.853 -12.694 0.268 145 HA ASP 23 HA ASP 23 -12.051 -10.318 -1.047 146 HB2 ASP 23 1HB ASP 23 -13.455 -12.465 -1.313 147 HB3 ASP 23 2HB ASP 23 -14.534 -11.745 -0.121 148 H LYS 24 H LYS 24 -13.731 -11.122 1.988 149 HA LYS 24 HA LYS 24 -15.042 -8.719 2.397 150 HB2 LYS 24 1HB LYS 24 -14.985 -10.991 3.761 151 HB3 LYS 24 2HB LYS 24 -13.831 -10.104 4.748 152 HG2 LYS 24 1HG LYS 24 -15.404 -8.641 5.524 153 HG3 LYS 24 2HG LYS 24 -16.422 -8.803 4.091 154 HD2 LYS 24 1HD LYS 24 -16.038 -11.132 5.929 155 HD3 LYS 24 2HD LYS 24 -17.186 -9.857 6.345 156 HE2 LYS 24 1HE LYS 24 -17.258 -11.099 3.628 157 HE3 LYS 24 2HE LYS 24 -17.977 -11.946 4.997 158 HZ1 LYS 24 1HZ LYS 24 -19.321 -9.947 5.425 159 HZ2 LYS 24 2HZ LYS 24 -19.639 -10.628 3.910 160 HZ3 LYS 24 3HZ LYS 24 -18.690 -9.232 4.027 161 H ALA 25 H ALA 25 -11.918 -9.658 3.850 162 HA ALA 25 HA ALA 25 -11.265 -7.253 5.022 163 HB1 ALA 25 1HB ALA 25 -10.043 -9.507 5.114 164 HB2 ALA 25 2HB ALA 25 -9.176 -8.940 3.686 165 HB3 ALA 25 3HB ALA 25 -9.075 -8.036 5.197 166 H VAL 26 H VAL 26 -11.240 -8.103 1.662 167 HA VAL 26 HA VAL 26 -9.582 -5.887 0.848 168 HB VAL 26 HB VAL 26 -11.265 -7.822 -0.745 169 HG11 VAL 26 1HG1 VAL 26 -10.065 -6.915 -2.722 170 HG12 VAL 26 2HG1 VAL 26 -11.165 -5.756 -1.973 171 HG13 VAL 26 3HG1 VAL 26 -9.427 -5.629 -1.697 172 HG21 VAL 26 1HG2 VAL 26 -8.267 -7.576 -0.574 173 HG22 VAL 26 2HG2 VAL 26 -9.215 -8.682 0.420 174 HG23 VAL 26 3HG2 VAL 26 -9.202 -8.864 -1.334 175 H LYS 27 H LYS 27 -13.026 -6.734 0.536 176 HA LYS 27 HA LYS 27 -13.773 -4.256 -0.635 177 HB2 LYS 27 1HB LYS 27 -15.361 -6.431 0.725 178 HB3 LYS 27 2HB LYS 27 -16.111 -5.001 0.028 179 HG2 LYS 27 1HG LYS 27 -15.074 -5.613 -2.156 180 HG3 LYS 27 2HG LYS 27 -14.542 -7.124 -1.415 181 HD2 LYS 27 1HD LYS 27 -16.776 -7.841 -1.065 182 HD3 LYS 27 2HD LYS 27 -17.421 -6.243 -1.446 183 HE2 LYS 27 1HE LYS 27 -16.499 -6.530 -3.761 184 HE3 LYS 27 2HE LYS 27 -16.116 -8.197 -3.334 185 HZ1 LYS 27 1HZ LYS 27 -18.338 -8.760 -3.192 186 HZ2 LYS 27 2HZ LYS 27 -18.327 -7.697 -4.508 187 HZ3 LYS 27 3HZ LYS 27 -18.855 -7.161 -2.993 188 H GLU 28 H GLU 28 -12.734 -4.943 2.429 189 HA GLU 28 HA GLU 28 -14.430 -2.931 3.718 190 HB2 GLU 28 1HB GLU 28 -12.668 -5.129 4.712 191 HB3 GLU 28 2HB GLU 28 -12.963 -3.746 5.756 192 HG2 GLU 28 1HG GLU 28 -15.282 -5.112 4.489 193 HG3 GLU 28 2HG GLU 28 -14.483 -5.872 5.865 194 H HIS 29 H HIS 29 -11.286 -3.396 2.420 195 HA HIS 29 HA HIS 29 -10.411 -0.835 3.589 196 HB2 HIS 29 1HB HIS 29 -8.664 -3.107 2.620 197 HB3 HIS 29 2HB HIS 29 -8.106 -1.605 3.351 198 HD1 HIS 29 1HD HIS 29 -9.772 -1.377 5.825 199 HD2 HIS 29 2HD HIS 29 -8.242 -5.003 4.495 200 HE1 HIS 29 1HE HIS 29 -9.703 -2.862 7.853 201 HE2 HIS 29 2HE HIS 29 -8.695 -5.023 7.041 202 H GLU 30 H GLU 30 -11.982 -1.401 1.119 203 HA GLU 30 HA GLU 30 -10.457 -1.149 -1.195 204 HB2 GLU 30 1HB GLU 30 -13.051 0.311 -1.011 205 HB3 GLU 30 2HB GLU 30 -12.432 -0.714 -2.298 206 HG2 GLU 30 1HG GLU 30 -12.700 -2.582 -0.450 207 HG3 GLU 30 2HG GLU 30 -13.891 -1.444 0.178 208 H SER 31 H SER 31 -12.157 1.493 0.501 209 HA SER 31 HA SER 31 -11.381 3.682 -0.801 210 HB2 SER 31 1HB SER 31 -12.645 3.682 1.347 211 HB3 SER 31 2HB SER 31 -11.124 3.447 2.207 212 HG SER 31 HG SER 31 -12.203 5.723 1.302 213 H LYS 32 H LYS 32 -9.291 1.971 1.506 214 HA LYS 32 HA LYS 32 -7.018 3.599 0.636 215 HB2 LYS 32 1HB LYS 32 -7.158 1.576 2.878 216 HB3 LYS 32 2HB LYS 32 -5.841 2.697 2.561 217 HG2 LYS 32 1HG LYS 32 -6.894 3.851 4.198 218 HG3 LYS 32 2HG LYS 32 -7.797 4.471 2.814 219 HD2 LYS 32 1HD LYS 32 -9.533 2.775 3.208 220 HD3 LYS 32 2HD LYS 32 -8.634 2.195 4.612 221 HE2 LYS 32 1HE LYS 32 -9.430 5.072 4.403 222 HE3 LYS 32 2HE LYS 32 -10.595 3.865 4.944 223 HZ1 LYS 32 1HZ LYS 32 -9.201 5.064 6.695 224 HZ2 LYS 32 2HZ LYS 32 -7.928 4.071 6.192 225 HZ3 LYS 32 3HZ LYS 32 -9.340 3.383 6.819 226 H THR 33 H THR 33 -4.906 2.406 0.392 227 HA THR 33 HA THR 33 -5.108 0.532 -1.696 228 HB THR 33 HB THR 33 -2.759 1.294 0.042 229 HG1 THR 33 1HG THR 33 -3.602 2.902 -1.403 230 HG21 THR 33 1HG2 THR 33 -2.774 -0.374 -2.478 231 HG22 THR 33 2HG2 THR 33 -2.420 -0.962 -0.853 232 HG23 THR 33 3HG2 THR 33 -1.340 0.199 -1.625 233 H ILE 34 H ILE 34 -4.644 -1.675 -1.783 234 HA ILE 34 HA ILE 34 -4.531 -3.085 0.796 235 HB ILE 34 HB ILE 34 -6.294 -3.853 -1.533 236 HG12 ILE 34 1HG1 ILE 34 -7.170 -3.126 1.257 237 HG13 ILE 34 2HG1 ILE 34 -6.999 -1.912 -0.006 238 HG21 ILE 34 1HG2 ILE 34 -5.970 -5.919 -0.726 239 HG22 ILE 34 2HG2 ILE 34 -5.304 -5.327 0.794 240 HG23 ILE 34 3HG2 ILE 34 -7.051 -5.408 0.570 241 HD11 ILE 34 1HD1 ILE 34 -9.197 -2.385 -0.254 242 HD12 ILE 34 2HD1 ILE 34 -8.537 -3.627 -1.320 243 HD13 ILE 34 3HD1 ILE 34 -9.022 -4.042 0.324 244 H PHE 35 H PHE 35 -3.423 -5.040 0.805 245 HA PHE 35 HA PHE 35 -2.114 -5.849 -1.692 246 HB2 PHE 35 1HB PHE 35 -0.729 -5.291 0.935 247 HB3 PHE 35 2HB PHE 35 0.019 -6.173 -0.392 248 HD1 PHE 35 2HD PHE 35 0.414 -5.011 -2.563 249 HD2 PHE 35 1HD PHE 35 -0.840 -2.940 0.938 250 HE1 PHE 35 2HE PHE 35 1.148 -2.886 -3.562 251 HE2 PHE 35 1HE PHE 35 -0.109 -0.811 -0.056 252 HZ PHE 35 HZ PHE 35 0.887 -0.782 -2.308 253 H ALA 36 H ALA 36 -2.714 -7.880 -2.025 254 HA ALA 36 HA ALA 36 -3.250 -9.629 0.257 255 HB1 ALA 36 1HB ALA 36 -4.173 -9.490 -2.530 256 HB2 ALA 36 2HB ALA 36 -3.910 -11.118 -1.904 257 HB3 ALA 36 3HB ALA 36 -5.018 -10.023 -1.076 258 H TYR 37 H TYR 37 -1.792 -11.053 0.922 259 HA TYR 37 HA TYR 37 0.428 -11.740 -0.874 260 HB2 TYR 37 1HB TYR 37 0.984 -10.690 1.317 261 HB3 TYR 37 2HB TYR 37 0.261 -12.074 2.128 262 HD1 TYR 37 1HD TYR 37 2.639 -11.677 -0.736 263 HD2 TYR 37 2HD TYR 37 1.863 -13.441 3.057 264 HE1 TYR 37 1HE TYR 37 4.791 -12.861 -0.853 265 HE2 TYR 37 2HE TYR 37 4.014 -14.629 2.951 266 HH TYR 37 HH TYR 37 5.653 -15.238 0.395 267 H PHE 38 H PHE 38 -0.823 -13.321 -2.012 268 HA PHE 38 HA PHE 38 -1.983 -15.555 -0.674 269 HB2 PHE 38 1HB PHE 38 -1.135 -15.466 -3.568 270 HB3 PHE 38 2HB PHE 38 -2.412 -16.439 -2.845 271 HD1 PHE 38 1HD PHE 38 -4.309 -15.035 -1.659 272 HD2 PHE 38 2HD PHE 38 -1.724 -13.563 -4.703 273 HE1 PHE 38 1HE PHE 38 -5.951 -13.285 -2.202 274 HE2 PHE 38 2HE PHE 38 -3.361 -11.810 -5.250 275 HZ PHE 38 HZ PHE 38 -5.477 -11.668 -3.999 276 H SER 39 H SER 39 -0.769 -16.937 0.443 277 HA SER 39 HA SER 39 1.488 -18.211 -0.905 278 HB2 SER 39 1HB SER 39 1.779 -17.291 1.951 279 HB3 SER 39 2HB SER 39 3.033 -17.864 0.852 280 HG SER 39 HG SER 39 1.536 -15.492 0.436 281 H GLY 40 H GLY 40 2.315 -20.095 0.514 282 HA2 GLY 40 1HA GLY 40 0.085 -21.803 1.018 283 HA3 GLY 40 2HA GLY 40 1.778 -22.201 1.274 284 H SER 41 H SER 41 -0.649 -22.696 2.925 285 HA SER 41 HA SER 41 -0.743 -21.058 5.177 286 HB2 SER 41 1HB SER 41 -1.864 -22.874 6.288 287 HB3 SER 41 2HB SER 41 -2.367 -22.892 4.598 288 HG SER 41 HG SER 41 -1.819 -24.940 4.871 289 H LYS 42 H LYS 42 -0.084 -21.808 7.427 290 HA LYS 42 HA LYS 42 2.776 -22.128 7.442 291 HB2 LYS 42 1HB LYS 42 0.871 -22.002 9.785 292 HB3 LYS 42 2HB LYS 42 2.614 -21.769 9.837 293 HG2 LYS 42 1HG LYS 42 2.218 -19.810 8.245 294 HG3 LYS 42 2HG LYS 42 0.517 -19.963 8.689 295 HD2 LYS 42 1HD LYS 42 2.663 -19.749 10.776 296 HD3 LYS 42 2HD LYS 42 1.976 -18.312 10.015 297 HE2 LYS 42 1HE LYS 42 -0.296 -19.514 10.653 298 HE3 LYS 42 2HE LYS 42 0.728 -20.269 11.874 299 HZ1 LYS 42 1HZ LYS 42 1.453 -17.783 12.235 300 HZ2 LYS 42 2HZ LYS 42 0.080 -18.418 12.993 301 HZ3 LYS 42 3HZ LYS 42 -0.084 -17.473 11.599 302 H ASP 43 H ASP 43 3.704 -23.641 9.208 303 HA ASP 43 HA ASP 43 2.402 -26.273 8.953 304 HB2 ASP 43 1HB ASP 43 5.293 -25.485 8.740 305 HB3 ASP 43 2HB ASP 43 4.845 -27.120 9.216 306 H THR 44 H THR 44 3.755 -27.798 10.648 307 HA THR 44 HA THR 44 2.725 -27.196 13.154 308 HB THR 44 HB THR 44 4.273 -28.944 14.037 309 HG1 THR 44 1HG THR 44 6.001 -29.397 12.918 310 HG21 THR 44 1HG2 THR 44 3.485 -30.606 11.998 311 HG22 THR 44 2HG2 THR 44 2.352 -29.262 11.857 312 HG23 THR 44 3HG2 THR 44 2.492 -30.141 13.379 313 H GLU 45 H GLU 45 5.983 -26.646 11.875 314 HA GLU 45 HA GLU 45 7.075 -25.649 14.295 315 HB2 GLU 45 1HB GLU 45 8.208 -26.465 12.044 316 HB3 GLU 45 2HB GLU 45 8.132 -24.753 11.652 317 HG2 GLU 45 1HG GLU 45 9.523 -24.168 13.451 318 HG3 GLU 45 2HG GLU 45 9.343 -25.750 14.208 319 H GLY 46 H GLY 46 5.099 -24.254 11.832 320 HA2 GLY 46 1HA GLY 46 3.868 -22.245 12.310 321 HA3 GLY 46 2HA GLY 46 5.242 -21.675 13.246 322 H LYS 47 H LYS 47 5.429 -23.131 10.049 323 HA LYS 47 HA LYS 47 5.847 -20.525 8.811 324 HB2 LYS 47 1HB LYS 47 7.929 -22.717 8.718 325 HB3 LYS 47 2HB LYS 47 7.991 -21.207 7.818 326 HG2 LYS 47 1HG LYS 47 8.364 -19.937 9.744 327 HG3 LYS 47 2HG LYS 47 7.836 -21.240 10.811 328 HD2 LYS 47 1HD LYS 47 9.863 -22.504 9.670 329 HD3 LYS 47 2HD LYS 47 10.435 -20.854 9.415 330 HE2 LYS 47 1HE LYS 47 10.449 -20.401 11.735 331 HE3 LYS 47 2HE LYS 47 9.520 -21.854 12.100 332 HZ1 LYS 47 1HZ LYS 47 12.295 -21.562 12.008 333 HZ2 LYS 47 2HZ LYS 47 11.859 -22.602 10.748 334 HZ3 LYS 47 3HZ LYS 47 11.404 -22.963 12.337 335 H SER 48 H SER 48 6.027 -20.689 6.430 336 HA SER 48 HA SER 48 4.020 -22.429 5.408 337 HB2 SER 48 1HB SER 48 4.321 -21.312 3.331 338 HB3 SER 48 2HB SER 48 4.590 -20.088 4.572 339 HG SER 48 HG SER 48 6.553 -21.501 3.089 340 H TRP 49 H TRP 49 4.235 -24.045 3.797 341 HA TRP 49 HA TRP 49 6.289 -25.898 4.254 342 HB2 TRP 49 1HB TRP 49 5.371 -26.840 1.967 343 HB3 TRP 49 2HB TRP 49 4.388 -26.906 3.427 344 HD1 TRP 49 HD TRP 49 2.216 -25.388 3.518 345 HE1 TRP 49 1HE TRP 49 0.920 -24.088 1.713 346 HE3 TRP 49 3HE TRP 49 5.713 -25.473 -0.211 347 HZ2 TRP 49 2HZ TRP 49 1.327 -23.215 -0.940 348 HZ3 TRP 49 3HZ TRP 49 5.181 -24.383 -2.351 349 HH2 TRP 49 HH TRP 49 3.032 -23.278 -2.707 350 H CYS 50 H CYS 50 5.879 -23.429 1.777 351 HA CYS 50 HA CYS 50 8.194 -24.266 0.286 352 HB2 CYS 50 1HB CYS 50 6.408 -23.215 -0.933 353 HB3 CYS 50 2HB CYS 50 6.443 -21.810 0.125 354 HG CYS 50 HG CYS 50 7.674 -21.797 -2.689 355 HA PRO 51 HA PRO 51 11.219 -22.156 2.704 356 HB2 PRO 51 1HB PRO 51 13.215 -22.108 0.864 357 HB3 PRO 51 2HB PRO 51 12.747 -23.573 1.736 358 HG2 PRO 51 1HG PRO 51 12.006 -22.696 -1.029 359 HG3 PRO 51 2HG PRO 51 12.485 -24.304 -0.456 360 HD2 PRO 51 1HD PRO 51 9.900 -23.622 -0.889 361 HD3 PRO 51 2HD PRO 51 10.385 -24.772 0.373 362 H ASP 52 H ASP 52 11.012 -21.101 -0.702 363 HA ASP 52 HA ASP 52 12.113 -18.594 -0.469 364 HB2 ASP 52 1HB ASP 52 10.000 -19.731 -2.262 365 HB3 ASP 52 2HB ASP 52 10.364 -18.009 -2.340 366 H CYS 53 H CYS 53 8.659 -19.411 -0.141 367 HA CYS 53 HA CYS 53 7.638 -16.927 0.419 368 HB2 CYS 53 1HB CYS 53 6.017 -18.572 0.226 369 HB3 CYS 53 2HB CYS 53 6.875 -19.687 1.283 370 HG CYS 53 HG CYS 53 4.842 -17.098 2.134 371 H VAL 54 H VAL 54 8.940 -19.256 2.776 372 HA VAL 54 HA VAL 54 8.587 -17.677 5.060 373 HB VAL 54 HB VAL 54 10.661 -19.799 4.498 374 HG11 VAL 54 1HG1 VAL 54 10.927 -19.933 6.938 375 HG12 VAL 54 2HG1 VAL 54 11.423 -18.363 6.302 376 HG13 VAL 54 3HG1 VAL 54 9.869 -18.534 7.119 377 HG21 VAL 54 1HG2 VAL 54 7.921 -19.835 5.727 378 HG22 VAL 54 2HG2 VAL 54 8.540 -20.799 4.386 379 HG23 VAL 54 3HG2 VAL 54 9.097 -21.115 6.029 380 H GLU 55 H GLU 55 10.987 -17.572 2.554 381 HA GLU 55 HA GLU 55 12.742 -15.838 4.100 382 HB2 GLU 55 1HB GLU 55 13.723 -17.565 2.640 383 HB3 GLU 55 2HB GLU 55 12.972 -16.804 1.245 384 HG2 GLU 55 1HG GLU 55 14.366 -14.931 1.370 385 HG3 GLU 55 2HG GLU 55 14.872 -15.311 3.015 386 H ALA 56 H ALA 56 10.182 -15.611 1.831 387 HA ALA 56 HA ALA 56 10.875 -12.917 0.985 388 HB1 ALA 56 1HB ALA 56 9.697 -13.473 -0.808 389 HB2 ALA 56 2HB ALA 56 9.277 -15.016 -0.063 390 HB3 ALA 56 3HB ALA 56 8.244 -13.608 0.182 391 H GLU 57 H GLU 57 8.769 -14.528 3.247 392 HA GLU 57 HA GLU 57 6.842 -12.640 3.763 393 HB2 GLU 57 1HB GLU 57 7.518 -14.992 4.900 394 HB3 GLU 57 2HB GLU 57 8.066 -13.888 6.153 395 HG2 GLU 57 1HG GLU 57 5.294 -13.846 4.991 396 HG3 GLU 57 2HG GLU 57 5.741 -14.747 6.438 397 HA PRO 58 HA PRO 58 9.880 -10.446 6.840 398 HB2 PRO 58 1HB PRO 58 12.518 -11.017 6.546 399 HB3 PRO 58 2HB PRO 58 11.454 -11.924 7.627 400 HG2 PRO 58 1HG PRO 58 12.379 -12.612 4.865 401 HG3 PRO 58 2HG PRO 58 12.246 -13.656 6.292 402 HD2 PRO 58 1HD PRO 58 10.389 -13.639 4.322 403 HD3 PRO 58 2HD PRO 58 9.977 -13.952 6.020 404 H VAL 59 H VAL 59 10.398 -10.992 3.502 405 HA VAL 59 HA VAL 59 11.939 -8.548 3.121 406 HB VAL 59 HB VAL 59 10.893 -10.456 1.026 407 HG11 VAL 59 1HG1 VAL 59 12.721 -8.092 0.976 408 HG12 VAL 59 2HG1 VAL 59 12.924 -9.392 -0.200 409 HG13 VAL 59 3HG1 VAL 59 11.399 -8.509 -0.113 410 HG21 VAL 59 1HG2 VAL 59 12.624 -11.830 1.372 411 HG22 VAL 59 2HG2 VAL 59 13.755 -10.495 1.595 412 HG23 VAL 59 3HG2 VAL 59 12.764 -11.045 2.946 413 H ILE 60 H ILE 60 8.683 -9.691 2.912 414 HA ILE 60 HA ILE 60 7.820 -7.360 1.378 415 HB ILE 60 HB ILE 60 6.182 -9.670 2.429 416 HG12 ILE 60 1HG1 ILE 60 7.395 -9.139 -0.288 417 HG13 ILE 60 2HG1 ILE 60 7.749 -10.485 0.790 418 HG21 ILE 60 1HG2 ILE 60 5.356 -7.815 0.234 419 HG22 ILE 60 2HG2 ILE 60 4.360 -8.832 1.274 420 HG23 ILE 60 3HG2 ILE 60 5.102 -7.370 1.922 421 HD11 ILE 60 1HD1 ILE 60 6.314 -11.597 -0.509 422 HD12 ILE 60 2HD1 ILE 60 5.077 -10.773 0.441 423 HD13 ILE 60 3HD1 ILE 60 5.568 -10.121 -1.122 424 H ARG 61 H ARG 61 7.570 -8.758 4.596 425 HA ARG 61 HA ARG 61 5.669 -6.894 5.594 426 HB2 ARG 61 1HB ARG 61 6.439 -9.221 6.528 427 HB3 ARG 61 2HB ARG 61 7.654 -8.266 7.366 428 HG2 ARG 61 1HG ARG 61 6.121 -7.247 8.723 429 HG3 ARG 61 2HG ARG 61 4.807 -7.431 7.559 430 HD2 ARG 61 1HD ARG 61 4.343 -9.572 8.214 431 HD3 ARG 61 2HD ARG 61 6.001 -9.890 8.724 432 HE ARG 61 HE ARG 61 3.874 -8.933 10.348 433 HH11 ARG 61 2HH1 ARG 61 7.313 -8.708 9.857 434 HH12 ARG 61 1HH1 ARG 61 7.653 -8.304 11.507 435 HH21 ARG 61 2HH2 ARG 61 4.309 -8.401 12.523 436 HH22 ARG 61 1HH2 ARG 61 5.944 -8.130 13.023 437 H GLU 62 H GLU 62 9.155 -6.927 5.335 438 HA GLU 62 HA GLU 62 9.656 -4.776 7.119 439 HB2 GLU 62 1HB GLU 62 11.249 -6.049 4.907 440 HB3 GLU 62 2HB GLU 62 11.848 -4.643 5.775 441 HG2 GLU 62 1HG GLU 62 10.923 -6.981 7.354 442 HG3 GLU 62 2HG GLU 62 12.465 -7.094 6.507 443 H GLY 63 H GLY 63 9.729 -4.888 3.549 444 HA2 GLY 63 1HA GLY 63 10.012 -2.148 3.124 445 HA3 GLY 63 2HA GLY 63 9.293 -3.271 1.980 446 H LEU 64 H LEU 64 7.182 -3.986 3.969 447 HA LEU 64 HA LEU 64 5.225 -2.140 3.115 448 HB2 LEU 64 1HB LEU 64 5.319 -4.448 4.975 449 HB3 LEU 64 2HB LEU 64 3.968 -3.328 5.140 450 HG LEU 64 HG LEU 64 4.656 -4.645 2.525 451 HD11 LEU 64 1HD1 LEU 64 4.032 -6.131 4.659 452 HD12 LEU 64 2HD1 LEU 64 3.486 -6.513 3.027 453 HD13 LEU 64 3HD1 LEU 64 2.408 -5.674 4.143 454 HD21 LEU 64 1HD2 LEU 64 3.171 -2.569 2.709 455 HD22 LEU 64 2HD2 LEU 64 1.994 -3.636 3.475 456 HD23 LEU 64 3HD2 LEU 64 2.534 -3.957 1.827 457 H LYS 65 H LYS 65 7.320 -2.241 5.868 458 HA LYS 65 HA LYS 65 5.817 -0.451 7.511 459 HB2 LYS 65 1HB LYS 65 8.560 -1.623 7.576 460 HB3 LYS 65 2HB LYS 65 8.238 -0.206 8.565 461 HG2 LYS 65 1HG LYS 65 6.324 -2.465 8.728 462 HG3 LYS 65 2HG LYS 65 7.910 -2.664 9.478 463 HD2 LYS 65 1HD LYS 65 6.200 -0.247 9.993 464 HD3 LYS 65 2HD LYS 65 6.023 -1.731 10.932 465 HE2 LYS 65 1HE LYS 65 8.705 -0.441 10.590 466 HE3 LYS 65 2HE LYS 65 7.576 0.140 11.814 467 HZ1 LYS 65 1HZ LYS 65 8.765 -2.567 11.595 468 HZ2 LYS 65 2HZ LYS 65 7.477 -2.206 12.631 469 HZ3 LYS 65 3HZ LYS 65 8.973 -1.445 12.844 470 H HIS 66 H HIS 66 8.208 -0.096 4.999 471 HA HIS 66 HA HIS 66 8.495 2.760 5.539 472 HB2 HIS 66 1HB HIS 66 9.824 1.084 3.401 473 HB3 HIS 66 2HB HIS 66 10.250 2.730 3.859 474 HD1 HIS 66 1HD HIS 66 11.913 3.000 5.713 475 HD2 HIS 66 2HD HIS 66 10.441 -0.876 5.448 476 HE1 HIS 66 1HE HIS 66 13.299 1.644 7.313 477 HE2 HIS 66 2HE HIS 66 12.447 -0.714 7.073 478 H VAL 67 H VAL 67 6.001 1.458 4.503 479 HA VAL 67 HA VAL 67 5.691 2.208 1.774 480 HB VAL 67 HB VAL 67 4.279 0.495 2.877 481 HG11 VAL 67 1HG1 VAL 67 2.523 1.093 4.381 482 HG12 VAL 67 2HG1 VAL 67 4.026 1.765 5.019 483 HG13 VAL 67 3HG1 VAL 67 2.871 2.812 4.192 484 HG21 VAL 67 1HG2 VAL 67 2.846 0.858 1.220 485 HG22 VAL 67 2HG2 VAL 67 2.125 2.210 2.094 486 HG23 VAL 67 3HG2 VAL 67 3.509 2.482 1.035 487 H THR 68 H THR 68 4.926 4.048 0.868 488 HA THR 68 HA THR 68 4.595 6.351 2.658 489 HB THR 68 HB THR 68 5.053 7.761 0.738 490 HG1 THR 68 1HG THR 68 4.117 5.911 -0.705 491 HG21 THR 68 1HG2 THR 68 7.294 6.269 0.061 492 HG22 THR 68 2HG2 THR 68 6.889 5.726 1.690 493 HG23 THR 68 3HG2 THR 68 7.170 7.438 1.375 494 H GLU 69 H GLU 69 2.476 4.398 2.195 495 HA GLU 69 HA GLU 69 0.374 6.256 1.547 496 HB2 GLU 69 1HB GLU 69 -0.639 4.916 -0.223 497 HB3 GLU 69 2HB GLU 69 0.973 5.439 -0.688 498 HG2 GLU 69 1HG GLU 69 1.793 3.180 0.081 499 HG3 GLU 69 2HG GLU 69 0.098 2.705 0.187 500 H ASP 70 H ASP 70 -1.143 5.932 3.020 501 HA ASP 70 HA ASP 70 -1.182 3.859 4.859 502 HB2 ASP 70 1HB ASP 70 -3.642 4.585 5.182 503 HB3 ASP 70 2HB ASP 70 -2.377 5.774 5.478 504 H CYS 71 H CYS 71 -1.125 1.808 4.062 505 HA CYS 71 HA CYS 71 -3.463 0.950 2.486 506 HB2 CYS 71 1HB CYS 71 -2.125 -0.618 1.303 507 HB3 CYS 71 2HB CYS 71 -1.235 0.899 1.275 508 HG CYS 71 HG CYS 71 0.424 0.071 3.474 509 H VAL 72 H VAL 72 -3.737 -1.538 2.688 510 HA VAL 72 HA VAL 72 -3.317 -2.336 5.492 511 HB VAL 72 HB VAL 72 -5.819 -2.861 3.883 512 HG11 VAL 72 1HG1 VAL 72 -5.760 -4.628 5.337 513 HG12 VAL 72 2HG1 VAL 72 -4.851 -3.736 6.559 514 HG13 VAL 72 3HG1 VAL 72 -6.574 -3.428 6.339 515 HG21 VAL 72 1HG2 VAL 72 -6.673 -1.389 5.948 516 HG22 VAL 72 2HG2 VAL 72 -5.060 -0.702 5.758 517 HG23 VAL 72 3HG2 VAL 72 -6.191 -0.685 4.404 518 H PHE 73 H PHE 73 -1.774 -3.858 5.267 519 HA PHE 73 HA PHE 73 -1.586 -5.640 3.072 520 HB2 PHE 73 1HB PHE 73 0.324 -4.981 4.541 521 HB3 PHE 73 2HB PHE 73 -0.375 -5.964 5.823 522 HD1 PHE 73 2HD PHE 73 0.558 -6.308 2.225 523 HD2 PHE 73 1HD PHE 73 0.484 -8.066 6.100 524 HE1 PHE 73 2HE PHE 73 1.740 -8.280 1.349 525 HE2 PHE 73 1HE PHE 73 1.667 -10.041 5.231 526 HZ PHE 73 HZ PHE 73 2.295 -10.151 2.852 527 H ILE 74 H ILE 74 -2.206 -7.752 2.837 528 HA ILE 74 HA ILE 74 -3.835 -8.921 4.991 529 HB ILE 74 HB ILE 74 -4.529 -9.126 2.062 530 HG12 ILE 74 1HG1 ILE 74 -5.828 -7.415 4.193 531 HG13 ILE 74 2HG1 ILE 74 -4.798 -6.809 2.900 532 HG21 ILE 74 1HG2 ILE 74 -6.304 -10.418 2.660 533 HG22 ILE 74 2HG2 ILE 74 -5.194 -10.859 3.956 534 HG23 ILE 74 3HG2 ILE 74 -6.459 -9.666 4.247 535 HD11 ILE 74 1HD1 ILE 74 -7.296 -8.359 2.326 536 HD12 ILE 74 2HD1 ILE 74 -7.314 -6.616 2.598 537 HD13 ILE 74 3HD1 ILE 74 -6.386 -7.290 1.259 538 H TYR 75 H TYR 75 -3.102 -10.844 5.583 539 HA TYR 75 HA TYR 75 -1.306 -12.298 3.789 540 HB2 TYR 75 1HB TYR 75 -0.712 -11.744 6.218 541 HB3 TYR 75 2HB TYR 75 -1.883 -12.978 6.669 542 HD1 TYR 75 1HD TYR 75 -1.534 -15.334 5.651 543 HD2 TYR 75 2HD TYR 75 1.492 -12.344 5.772 544 HE1 TYR 75 1HE TYR 75 0.186 -17.071 5.378 545 HE2 TYR 75 2HE TYR 75 3.219 -14.073 5.498 546 HH TYR 75 HH TYR 75 3.050 -16.958 6.133 547 H CYS 76 H CYS 76 -2.739 -13.283 2.380 548 HA CYS 76 HA CYS 76 -4.787 -15.040 3.511 549 HB2 CYS 76 1HB CYS 76 -5.534 -13.577 1.723 550 HB3 CYS 76 2HB CYS 76 -4.258 -14.168 0.665 551 HG CYS 76 HG CYS 76 -5.307 -16.671 0.294 552 H GLN 77 H GLN 77 -4.557 -17.182 3.599 553 HA GLN 77 HA GLN 77 -2.159 -18.358 2.396 554 HB2 GLN 77 1HB GLN 77 -4.011 -19.486 4.502 555 HB3 GLN 77 2HB GLN 77 -2.512 -20.219 3.949 556 HG2 GLN 77 1HG GLN 77 -1.194 -18.620 4.992 557 HG3 GLN 77 2HG GLN 77 -2.522 -17.468 5.116 558 HE21 GLN 77 1HE2 GLN 77 -3.939 -17.601 6.810 559 HE22 GLN 77 2HE2 GLN 77 -3.698 -18.645 8.165 560 H VAL 78 H VAL 78 -2.414 -19.305 0.492 561 HA VAL 78 HA VAL 78 -4.712 -19.840 -0.868 562 HB VAL 78 HB VAL 78 -3.456 -21.524 -2.178 563 HG11 VAL 78 1HG1 VAL 78 -2.846 -18.782 -1.816 564 HG12 VAL 78 2HG1 VAL 78 -1.329 -19.638 -2.097 565 HG13 VAL 78 3HG1 VAL 78 -2.645 -19.768 -3.264 566 HG21 VAL 78 1HG2 VAL 78 -1.762 -21.468 0.216 567 HG22 VAL 78 2HG2 VAL 78 -2.003 -22.746 -0.974 568 HG23 VAL 78 3HG2 VAL 78 -0.881 -21.428 -1.311 569 H GLY 79 H GLY 79 -3.138 -21.896 1.522 570 HA2 GLY 79 1HA GLY 79 -5.003 -23.169 2.771 571 HA3 GLY 79 2HA GLY 79 -5.277 -23.890 1.193 572 H ASP 80 H ASP 80 -3.682 -25.276 0.305 573 HA ASP 80 HA ASP 80 -1.636 -26.195 2.208 574 HB2 ASP 80 1HB ASP 80 -3.084 -28.164 0.472 575 HB3 ASP 80 2HB ASP 80 -2.213 -28.439 1.978 576 H LYS 81 H LYS 81 0.037 -27.580 1.136 577 HA LYS 81 HA LYS 81 1.222 -26.219 -0.998 578 HB2 LYS 81 1HB LYS 81 2.806 -27.401 0.137 579 HB3 LYS 81 2HB LYS 81 1.727 -28.753 0.451 580 HG2 LYS 81 1HG LYS 81 2.127 -29.711 -1.643 581 HG3 LYS 81 2HG LYS 81 2.815 -28.219 -2.290 582 HD2 LYS 81 1HD LYS 81 4.742 -29.376 -1.896 583 HD3 LYS 81 2HD LYS 81 4.548 -28.600 -0.322 584 HE2 LYS 81 1HE LYS 81 3.262 -30.699 0.356 585 HE3 LYS 81 2HE LYS 81 3.918 -31.432 -1.107 586 HZ1 LYS 81 1HZ LYS 81 5.994 -30.175 0.317 587 HZ2 LYS 81 2HZ LYS 81 5.809 -31.816 -0.052 588 HZ3 LYS 81 3HZ LYS 81 5.148 -31.190 1.374 589 HA PRO 82 HA PRO 82 -0.211 -29.840 -3.862 590 HB2 PRO 82 1HB PRO 82 -2.057 -31.559 -2.858 591 HB3 PRO 82 2HB PRO 82 -0.316 -31.813 -2.690 592 HG2 PRO 82 1HG PRO 82 -2.266 -30.690 -0.716 593 HG3 PRO 82 2HG PRO 82 -0.949 -31.848 -0.453 594 HD2 PRO 82 1HD PRO 82 -0.721 -29.220 0.157 595 HD3 PRO 82 2HD PRO 82 0.658 -30.197 -0.385 596 H TYR 83 H TYR 83 -2.474 -28.352 -1.646 597 HA TYR 83 HA TYR 83 -4.739 -28.470 -3.373 598 HB2 TYR 83 1HB TYR 83 -5.229 -28.211 -1.081 599 HB3 TYR 83 2HB TYR 83 -4.086 -26.885 -0.897 600 HD1 TYR 83 2HD TYR 83 -4.652 -24.636 -1.747 601 HD2 TYR 83 1HD TYR 83 -7.464 -27.827 -1.850 602 HE1 TYR 83 2HE TYR 83 -6.469 -23.015 -2.095 603 HE2 TYR 83 1HE TYR 83 -9.289 -26.215 -2.200 604 HH TYR 83 HH TYR 83 -8.637 -22.737 -2.489 605 H TRP 84 H TRP 84 -2.360 -25.952 -2.603 606 HA TRP 84 HA TRP 84 -3.385 -23.838 -4.033 607 HB2 TRP 84 1HB TRP 84 -1.506 -23.242 -2.845 608 HB3 TRP 84 2HB TRP 84 -0.623 -24.695 -3.306 609 HD1 TRP 84 HD TRP 84 1.376 -24.127 -4.779 610 HE1 TRP 84 1HE TRP 84 1.912 -22.377 -6.588 611 HE3 TRP 84 3HE TRP 84 -3.072 -21.607 -4.812 612 HZ2 TRP 84 2HZ TRP 84 0.620 -20.213 -7.861 613 HZ3 TRP 84 3HZ TRP 84 -3.340 -19.709 -6.354 614 HH2 TRP 84 HH TRP 84 -1.532 -19.028 -7.846 615 H LYS 85 H LYS 85 -1.398 -26.514 -5.234 616 HA LYS 85 HA LYS 85 -0.974 -25.655 -7.832 617 HB2 LYS 85 1HB LYS 85 -1.537 -28.507 -7.004 618 HB3 LYS 85 2HB LYS 85 -0.627 -27.976 -8.413 619 HG2 LYS 85 1HG LYS 85 0.320 -27.099 -5.741 620 HG3 LYS 85 2HG LYS 85 0.561 -28.787 -6.199 621 HD2 LYS 85 1HD LYS 85 1.600 -27.940 -8.334 622 HD3 LYS 85 2HD LYS 85 1.558 -26.325 -7.621 623 HE2 LYS 85 1HE LYS 85 2.905 -27.168 -5.729 624 HE3 LYS 85 2HE LYS 85 2.999 -28.738 -6.524 625 HZ1 LYS 85 1HZ LYS 85 4.978 -27.445 -6.952 626 HZ2 LYS 85 2HZ LYS 85 4.059 -26.178 -7.592 627 HZ3 LYS 85 3HZ LYS 85 4.118 -27.667 -8.393 628 H ASP 86 H ASP 86 -3.819 -27.143 -6.404 629 HA ASP 86 HA ASP 86 -5.323 -27.981 -8.466 630 HB2 ASP 86 1HB ASP 86 -6.358 -26.118 -6.318 631 HB3 ASP 86 2HB ASP 86 -7.315 -27.256 -7.262 632 HA PRO 87 HA PRO 87 -5.107 -24.300 -11.091 633 HB2 PRO 87 1HB PRO 87 -5.812 -25.618 -13.357 634 HB3 PRO 87 2HB PRO 87 -4.166 -25.625 -12.714 635 HG2 PRO 87 1HG PRO 87 -6.311 -27.697 -12.452 636 HG3 PRO 87 2HG PRO 87 -4.583 -27.912 -12.787 637 HD2 PRO 87 1HD PRO 87 -5.647 -28.290 -10.326 638 HD3 PRO 87 2HD PRO 87 -3.996 -27.685 -10.569 639 H ASN 88 H ASN 88 -7.651 -26.232 -10.035 640 HA ASN 88 HA ASN 88 -9.653 -24.686 -11.530 641 HB2 ASN 88 1HB ASN 88 -10.233 -27.080 -9.796 642 HB3 ASN 88 2HB ASN 88 -11.211 -26.409 -11.098 643 HD21 ASN 88 1HD2 ASN 88 -9.620 -26.194 -13.179 644 HD22 ASN 88 2HD2 ASN 88 -8.935 -27.715 -13.628 645 H ASN 89 H ASN 89 -8.033 -23.837 -9.131 646 HA ASN 89 HA ASN 89 -10.082 -23.535 -7.083 647 HB2 ASN 89 1HB ASN 89 -8.229 -22.377 -5.823 648 HB3 ASN 89 2HB ASN 89 -7.905 -24.058 -6.237 649 HD21 ASN 89 1HD2 ASN 89 -5.677 -23.591 -5.962 650 HD22 ASN 89 2HD2 ASN 89 -4.784 -22.793 -7.207 651 H ASP 90 H ASP 90 -10.535 -21.405 -6.163 652 HA ASP 90 HA ASP 90 -11.278 -19.542 -8.154 653 HB2 ASP 90 1HB ASP 90 -11.205 -19.371 -5.141 654 HB3 ASP 90 2HB ASP 90 -11.808 -18.064 -6.155 655 H PHE 91 H PHE 91 -8.348 -20.057 -6.527 656 HA PHE 91 HA PHE 91 -7.385 -17.365 -6.537 657 HB2 PHE 91 1HB PHE 91 -6.013 -20.036 -6.230 658 HB3 PHE 91 2HB PHE 91 -5.141 -18.507 -6.186 659 HD1 PHE 91 2HD PHE 91 -5.799 -16.807 -4.422 660 HD2 PHE 91 1HD PHE 91 -7.065 -20.870 -4.326 661 HE1 PHE 91 2HE PHE 91 -6.300 -16.591 -2.024 662 HE2 PHE 91 1HE PHE 91 -7.568 -20.660 -1.927 663 HZ PHE 91 HZ PHE 91 -7.185 -18.519 -0.772 664 H ARG 92 H ARG 92 -6.903 -20.187 -8.632 665 HA ARG 92 HA ARG 92 -5.385 -18.571 -10.524 666 HB2 ARG 92 1HB ARG 92 -6.132 -21.494 -10.708 667 HB3 ARG 92 2HB ARG 92 -4.937 -20.647 -11.681 668 HG2 ARG 92 1HG ARG 92 -3.448 -20.449 -9.877 669 HG3 ARG 92 2HG ARG 92 -4.695 -20.865 -8.699 670 HD2 ARG 92 1HD ARG 92 -4.698 -23.126 -9.343 671 HD3 ARG 92 2HD ARG 92 -3.826 -22.786 -10.837 672 HE ARG 92 HE ARG 92 -2.690 -23.322 -8.290 673 HH11 ARG 92 2HH1 ARG 92 -2.238 -21.443 -11.186 674 HH12 ARG 92 1HH1 ARG 92 -0.517 -21.345 -11.010 675 HH21 ARG 92 2HH2 ARG 92 -0.425 -23.199 -8.047 676 HH22 ARG 92 1HH2 ARG 92 0.513 -22.345 -9.224 677 H GLN 93 H GLN 93 -8.583 -19.317 -9.931 678 HA GLN 93 HA GLN 93 -9.364 -19.209 -12.750 679 HB2 GLN 93 1HB GLN 93 -10.998 -19.751 -10.266 680 HB3 GLN 93 2HB GLN 93 -11.636 -19.740 -11.904 681 HG2 GLN 93 1HG GLN 93 -9.363 -21.539 -11.187 682 HG3 GLN 93 2HG GLN 93 -11.020 -21.986 -10.785 683 HE21 GLN 93 1HE2 GLN 93 -8.767 -22.672 -12.887 684 HE22 GLN 93 2HE2 GLN 93 -9.689 -22.900 -14.330 685 H LYS 94 H LYS 94 -10.266 -17.652 -9.671 686 HA LYS 94 HA LYS 94 -11.453 -15.424 -11.108 687 HB2 LYS 94 1HB LYS 94 -11.142 -15.803 -8.126 688 HB3 LYS 94 2HB LYS 94 -12.188 -14.645 -8.938 689 HG2 LYS 94 1HG LYS 94 -12.582 -17.511 -9.572 690 HG3 LYS 94 2HG LYS 94 -13.084 -16.947 -7.976 691 HD2 LYS 94 1HD LYS 94 -15.008 -16.518 -9.110 692 HD3 LYS 94 2HD LYS 94 -14.164 -15.005 -9.445 693 HE2 LYS 94 1HE LYS 94 -13.492 -15.771 -11.600 694 HE3 LYS 94 2HE LYS 94 -14.046 -17.409 -11.256 695 HZ1 LYS 94 1HZ LYS 94 -15.855 -15.061 -11.354 696 HZ2 LYS 94 2HZ LYS 94 -16.292 -16.693 -11.292 697 HZ3 LYS 94 3HZ LYS 94 -15.561 -16.066 -12.683 698 H LEU 95 H LEU 95 -8.925 -15.835 -8.625 699 HA LEU 95 HA LEU 95 -7.963 -13.160 -8.941 700 HB2 LEU 95 1HB LEU 95 -7.032 -15.581 -7.452 701 HB3 LEU 95 2HB LEU 95 -5.983 -14.173 -7.601 702 HG LEU 95 HG LEU 95 -8.712 -14.223 -6.312 703 HD11 LEU 95 1HD1 LEU 95 -6.874 -13.445 -4.435 704 HD12 LEU 95 2HD1 LEU 95 -6.012 -14.702 -5.321 705 HD13 LEU 95 3HD1 LEU 95 -7.574 -15.057 -4.583 706 HD21 LEU 95 1HD2 LEU 95 -6.705 -12.007 -6.689 707 HD22 LEU 95 2HD2 LEU 95 -8.065 -11.929 -5.568 708 HD23 LEU 95 3HD2 LEU 95 -8.357 -12.076 -7.302 709 H LYS 96 H LYS 96 -7.502 -16.052 -10.648 710 HA LYS 96 HA LYS 96 -5.998 -16.757 -12.219 711 HB2 LYS 96 1HB LYS 96 -6.060 -13.784 -12.755 712 HB3 LYS 96 2HB LYS 96 -5.345 -14.964 -13.845 713 HG2 LYS 96 1HG LYS 96 -8.177 -15.303 -12.979 714 HG3 LYS 96 2HG LYS 96 -7.779 -14.116 -14.224 715 HD2 LYS 96 1HD LYS 96 -6.659 -16.860 -14.489 716 HD3 LYS 96 2HD LYS 96 -8.375 -16.624 -14.829 717 HE2 LYS 96 1HE LYS 96 -7.436 -16.279 -16.906 718 HE3 LYS 96 2HE LYS 96 -7.528 -14.633 -16.281 719 HZ1 LYS 96 1HZ LYS 96 -5.302 -14.468 -16.137 720 HZ2 LYS 96 2HZ LYS 96 -5.322 -15.682 -17.315 721 HZ3 LYS 96 3HZ LYS 96 -5.082 -16.085 -15.690 722 H ILE 97 H ILE 97 -4.756 -16.648 -9.807 723 HA ILE 97 HA ILE 97 -2.424 -15.056 -9.724 724 HB ILE 97 HB ILE 97 -2.961 -17.708 -8.381 725 HG12 ILE 97 1HG1 ILE 97 -4.554 -15.821 -7.872 726 HG13 ILE 97 2HG1 ILE 97 -3.679 -16.446 -6.478 727 HG21 ILE 97 1HG2 ILE 97 -1.210 -16.908 -6.773 728 HG22 ILE 97 2HG2 ILE 97 -0.612 -17.332 -8.376 729 HG23 ILE 97 3HG2 ILE 97 -0.822 -15.638 -7.933 730 HD11 ILE 97 1HD1 ILE 97 -3.105 -13.909 -7.986 731 HD12 ILE 97 2HD1 ILE 97 -3.753 -14.061 -6.353 732 HD13 ILE 97 3HD1 ILE 97 -2.096 -14.557 -6.693 733 H THR 98 H THR 98 -0.192 -15.885 -9.812 734 HA THR 98 HA THR 98 0.125 -17.736 -12.078 735 HB THR 98 HB THR 98 2.043 -15.627 -11.069 736 HG1 THR 98 1HG THR 98 0.723 -15.628 -13.571 737 HG21 THR 98 1HG2 THR 98 2.549 -17.928 -12.598 738 HG22 THR 98 2HG2 THR 98 3.621 -16.552 -12.343 739 HG23 THR 98 3HG2 THR 98 2.540 -16.582 -13.735 740 H ALA 99 H ALA 99 2.231 -16.690 -9.400 741 HA ALA 99 HA ALA 99 2.505 -19.459 -8.525 742 HB1 ALA 99 1HB ALA 99 4.267 -18.905 -10.291 743 HB2 ALA 99 2HB ALA 99 4.990 -17.864 -9.064 744 HB3 ALA 99 3HB ALA 99 4.829 -19.596 -8.768 745 H VAL 100 H VAL 100 2.607 -19.603 -6.371 746 HA VAL 100 HA VAL 100 2.655 -17.162 -4.810 747 HB VAL 100 HB VAL 100 2.064 -18.547 -2.913 748 HG11 VAL 100 1HG1 VAL 100 0.038 -19.777 -4.037 749 HG12 VAL 100 2HG1 VAL 100 0.124 -18.014 -4.023 750 HG13 VAL 100 3HG1 VAL 100 0.580 -18.910 -5.473 751 HG21 VAL 100 1HG2 VAL 100 3.476 -20.467 -3.362 752 HG22 VAL 100 2HG2 VAL 100 1.804 -20.984 -3.146 753 HG23 VAL 100 3HG2 VAL 100 2.494 -20.889 -4.766 754 HA PRO 101 HA PRO 101 2.928 -16.712 -2.581 755 HB2 PRO 101 1HB PRO 101 4.438 -14.600 -1.787 756 HB3 PRO 101 2HB PRO 101 4.330 -16.105 -0.865 757 HG2 PRO 101 1HG PRO 101 6.463 -15.190 -2.756 758 HG3 PRO 101 2HG PRO 101 6.631 -15.986 -1.180 759 HD2 PRO 101 1HD PRO 101 6.870 -17.325 -3.521 760 HD3 PRO 101 2HD PRO 101 6.218 -18.079 -2.052 761 H THR 102 H THR 102 1.697 -15.068 -3.385 762 HA THR 102 HA THR 102 2.803 -13.554 -5.660 763 HB THR 102 HB THR 102 -0.066 -14.467 -5.384 764 HG1 THR 102 1HG THR 102 2.101 -15.826 -6.190 765 HG21 THR 102 1HG2 THR 102 1.020 -13.694 -8.002 766 HG22 THR 102 2HG2 THR 102 0.904 -12.378 -6.834 767 HG23 THR 102 3HG2 THR 102 -0.532 -13.309 -7.259 768 H LEU 103 H LEU 103 3.117 -11.546 -4.920 769 HA LEU 103 HA LEU 103 1.207 -10.363 -3.057 770 HB2 LEU 103 1HB LEU 103 3.608 -10.177 -2.589 771 HB3 LEU 103 2HB LEU 103 3.830 -9.308 -4.106 772 HG LEU 103 HG LEU 103 2.285 -7.537 -3.170 773 HD11 LEU 103 1HD1 LEU 103 1.887 -7.457 -0.826 774 HD12 LEU 103 2HD1 LEU 103 2.879 -8.888 -0.547 775 HD13 LEU 103 3HD1 LEU 103 1.342 -9.034 -1.399 776 HD21 LEU 103 1HD2 LEU 103 5.054 -8.125 -2.514 777 HD22 LEU 103 2HD2 LEU 103 4.280 -7.083 -1.319 778 HD23 LEU 103 3HD2 LEU 103 4.307 -6.609 -3.018 779 H LEU 104 H LEU 104 -0.573 -9.838 -4.267 780 HA LEU 104 HA LEU 104 -0.206 -8.207 -6.666 781 HB2 LEU 104 1HB LEU 104 -1.781 -9.757 -7.208 782 HB3 LEU 104 2HB LEU 104 -2.384 -9.880 -5.557 783 HG LEU 104 HG LEU 104 -3.446 -7.595 -5.946 784 HD11 LEU 104 1HD1 LEU 104 -3.261 -6.565 -7.906 785 HD12 LEU 104 2HD1 LEU 104 -3.665 -8.033 -8.796 786 HD13 LEU 104 3HD1 LEU 104 -1.997 -7.728 -8.309 787 HD21 LEU 104 1HD2 LEU 104 -4.510 -9.960 -6.043 788 HD22 LEU 104 2HD2 LEU 104 -4.579 -9.668 -7.781 789 HD23 LEU 104 3HD2 LEU 104 -5.410 -8.579 -6.669 790 H LYS 105 H LYS 105 -0.692 -6.092 -6.771 791 HA LYS 105 HA LYS 105 -1.446 -4.761 -4.285 792 HB2 LYS 105 1HB LYS 105 0.524 -3.932 -5.485 793 HB3 LYS 105 2HB LYS 105 -0.459 -3.630 -6.911 794 HG2 LYS 105 1HG LYS 105 -1.684 -1.911 -5.780 795 HG3 LYS 105 2HG LYS 105 -0.892 -2.293 -4.250 796 HD2 LYS 105 1HD LYS 105 1.273 -1.651 -5.244 797 HD3 LYS 105 2HD LYS 105 0.437 -1.208 -6.734 798 HE2 LYS 105 1HE LYS 105 -0.921 0.406 -5.386 799 HE3 LYS 105 2HE LYS 105 0.123 0.048 -4.012 800 HZ1 LYS 105 1HZ LYS 105 1.783 1.272 -4.851 801 HZ2 LYS 105 2HZ LYS 105 0.574 2.008 -5.776 802 HZ3 LYS 105 3HZ LYS 105 1.512 0.769 -6.444 803 H TYR 106 H TYR 106 -3.653 -5.133 -4.162 804 HA TYR 106 HA TYR 106 -5.577 -5.048 -6.078 805 HB2 TYR 106 1HB TYR 106 -5.716 -5.320 -3.459 806 HB3 TYR 106 2HB TYR 106 -6.142 -3.613 -3.515 807 HD1 TYR 106 2HD TYR 106 -7.049 -6.702 -5.429 808 HD2 TYR 106 1HD TYR 106 -8.400 -3.194 -3.435 809 HE1 TYR 106 2HE TYR 106 -9.375 -7.306 -5.954 810 HE2 TYR 106 1HE TYR 106 -10.729 -3.789 -3.954 811 HH TYR 106 HH TYR 106 -12.070 -5.180 -5.069 812 H GLY 107 H GLY 107 -5.990 -3.624 -7.626 813 HA2 GLY 107 1HA GLY 107 -6.995 -1.381 -7.993 814 HA3 GLY 107 2HA GLY 107 -5.698 -0.753 -6.988 815 H THR 108 H THR 108 -3.616 -2.377 -8.099 816 HA THR 108 HA THR 108 -3.479 -1.313 -10.844 817 HB THR 108 HB THR 108 -1.072 -0.881 -10.508 818 HG1 THR 108 1HG THR 108 -1.689 -1.753 -7.880 819 HG21 THR 108 1HG2 THR 108 -1.322 1.177 -9.415 820 HG22 THR 108 2HG2 THR 108 -2.568 0.553 -8.333 821 HG23 THR 108 3HG2 THR 108 -2.935 0.827 -10.036 822 HA PRO 109 HA PRO 109 -2.349 -5.370 -12.106 823 HB2 PRO 109 1HB PRO 109 -0.877 -4.792 -14.312 824 HB3 PRO 109 2HB PRO 109 -2.637 -4.631 -14.262 825 HG2 PRO 109 1HG PRO 109 -0.533 -2.523 -13.960 826 HG3 PRO 109 2HG PRO 109 -2.049 -2.467 -14.877 827 HD2 PRO 109 1HD PRO 109 -1.780 -1.325 -12.437 828 HD3 PRO 109 2HD PRO 109 -3.313 -2.018 -13.002 829 H GLN 110 H GLN 110 -0.217 -3.258 -10.725 830 HA GLN 110 HA GLN 110 2.246 -4.619 -11.312 831 HB2 GLN 110 1HB GLN 110 1.428 -2.378 -9.508 832 HB3 GLN 110 2HB GLN 110 2.974 -3.173 -9.240 833 HG2 GLN 110 1HG GLN 110 3.863 -2.419 -11.218 834 HG3 GLN 110 2HG GLN 110 2.284 -2.212 -11.973 835 HE21 GLN 110 1HE2 GLN 110 3.671 -1.037 -8.929 836 HE22 GLN 110 2HE2 GLN 110 3.382 0.637 -9.244 837 H LYS 111 H LYS 111 2.729 -6.543 -10.511 838 HA LYS 111 HA LYS 111 2.057 -7.117 -7.709 839 HB2 LYS 111 1HB LYS 111 1.522 -9.459 -8.352 840 HB3 LYS 111 2HB LYS 111 0.389 -8.282 -9.003 841 HG2 LYS 111 1HG LYS 111 0.718 -9.595 -10.837 842 HG3 LYS 111 2HG LYS 111 1.976 -8.383 -11.091 843 HD2 LYS 111 1HD LYS 111 3.204 -10.285 -11.408 844 HD3 LYS 111 2HD LYS 111 3.407 -10.090 -9.665 845 HE2 LYS 111 1HE LYS 111 2.855 -12.353 -9.967 846 HE3 LYS 111 2HE LYS 111 1.364 -11.587 -9.420 847 HZ1 LYS 111 1HZ LYS 111 1.626 -11.566 -12.269 848 HZ2 LYS 111 2HZ LYS 111 0.344 -12.110 -11.310 849 HZ3 LYS 111 3HZ LYS 111 1.646 -13.137 -11.641 850 H LEU 112 H LEU 112 3.326 -8.989 -6.848 851 HA LEU 112 HA LEU 112 5.955 -9.204 -8.154 852 HB2 LEU 112 1HB LEU 112 5.479 -8.983 -5.187 853 HB3 LEU 112 2HB LEU 112 7.040 -9.102 -5.997 854 HG LEU 112 HG LEU 112 5.130 -6.777 -6.234 855 HD11 LEU 112 1HD1 LEU 112 5.917 -6.247 -4.212 856 HD12 LEU 112 2HD1 LEU 112 7.418 -5.862 -5.052 857 HD13 LEU 112 3HD1 LEU 112 7.212 -7.442 -4.297 858 HD21 LEU 112 1HD2 LEU 112 8.003 -6.909 -7.105 859 HD22 LEU 112 2HD2 LEU 112 6.792 -5.687 -7.493 860 HD23 LEU 112 3HD2 LEU 112 6.668 -7.305 -8.187 861 H VAL 113 H VAL 113 6.563 -11.228 -8.524 862 HA VAL 113 HA VAL 113 5.032 -13.416 -7.382 863 HB VAL 113 HB VAL 113 7.357 -13.944 -9.157 864 HG11 VAL 113 1HG1 VAL 113 5.111 -15.227 -10.115 865 HG12 VAL 113 2HG1 VAL 113 6.324 -15.918 -9.036 866 HG13 VAL 113 3HG1 VAL 113 4.857 -15.200 -8.370 867 HG21 VAL 113 1HG2 VAL 113 5.539 -13.483 -11.053 868 HG22 VAL 113 2HG2 VAL 113 5.039 -12.252 -9.893 869 HG23 VAL 113 3HG2 VAL 113 6.687 -12.254 -10.521 870 H GLU 114 H GLU 114 6.442 -15.465 -6.904 871 HA GLU 114 HA GLU 114 7.589 -15.377 -4.512 872 HB2 GLU 114 1HB GLU 114 8.950 -16.975 -6.671 873 HB3 GLU 114 2HB GLU 114 8.755 -17.385 -4.973 874 HG2 GLU 114 1HG GLU 114 6.260 -17.453 -5.432 875 HG3 GLU 114 2HG GLU 114 6.685 -17.410 -7.142 876 H SER 115 H SER 115 9.674 -15.215 -7.404 877 HA SER 115 HA SER 115 12.011 -14.479 -6.113 878 HB2 SER 115 1HB SER 115 11.018 -13.947 -8.910 879 HB3 SER 115 2HB SER 115 12.617 -13.427 -8.378 880 HG SER 115 HG SER 115 11.690 -16.098 -8.164 881 H GLU 116 H GLU 116 9.504 -12.390 -7.514 882 HA GLU 116 HA GLU 116 10.795 -9.954 -6.834 883 HB2 GLU 116 1HB GLU 116 7.860 -10.448 -7.363 884 HB3 GLU 116 2HB GLU 116 8.674 -8.890 -7.401 885 HG2 GLU 116 1HG GLU 116 10.143 -9.923 -9.229 886 HG3 GLU 116 2HG GLU 116 8.904 -11.173 -9.322 887 H CYS 117 H CYS 117 9.080 -12.239 -5.003 888 HA CYS 117 HA CYS 117 8.178 -10.364 -2.986 889 HB2 CYS 117 1HB CYS 117 7.991 -13.341 -3.336 890 HB3 CYS 117 2HB CYS 117 7.640 -12.607 -1.776 891 HG CYS 117 HG CYS 117 5.894 -12.392 -4.675 892 H CYS 118 H CYS 118 11.042 -11.942 -3.737 893 HA CYS 118 HA CYS 118 11.963 -11.894 -0.945 894 HB2 CYS 118 1HB CYS 118 12.234 -14.045 -2.113 895 HB3 CYS 118 2HB CYS 118 13.199 -13.250 -3.351 896 HG CYS 118 HG CYS 118 15.397 -13.839 -2.178 897 H GLN 119 H GLN 119 12.060 -10.141 -3.796 898 HA GLN 119 HA GLN 119 14.707 -9.014 -3.308 899 HB2 GLN 119 1HB GLN 119 12.747 -8.904 -5.557 900 HB3 GLN 119 2HB GLN 119 13.910 -7.595 -5.391 901 HG2 GLN 119 1HG GLN 119 14.463 -9.627 -6.895 902 HG3 GLN 119 2HG GLN 119 15.708 -8.949 -5.847 903 HE21 GLN 119 1HE2 GLN 119 14.157 -11.732 -6.802 904 HE22 GLN 119 2HE2 GLN 119 14.662 -12.776 -5.522 905 H SER 120 H SER 120 14.506 -7.779 -1.480 906 HA SER 120 HA SER 120 12.446 -6.205 -0.632 907 HB2 SER 120 1HB SER 120 14.487 -4.647 0.159 908 HB3 SER 120 2HB SER 120 14.120 -6.193 0.924 909 HG SER 120 HG SER 120 15.851 -7.061 0.038 910 H SER 121 H SER 121 15.052 -5.219 -2.841 911 HA SER 121 HA SER 121 14.533 -2.596 -3.248 912 HB2 SER 121 1HB SER 121 14.893 -4.240 -5.714 913 HB3 SER 121 2HB SER 121 15.712 -2.758 -5.223 914 HG SER 121 HG SER 121 16.689 -4.146 -3.531 915 H LEU 122 H LEU 122 12.643 -5.297 -4.467 916 HA LEU 122 HA LEU 122 10.908 -3.626 -6.046 917 HB2 LEU 122 1HB LEU 122 10.916 -6.530 -5.297 918 HB3 LEU 122 2HB LEU 122 9.543 -5.802 -6.127 919 HG LEU 122 HG LEU 122 12.343 -5.736 -7.231 920 HD11 LEU 122 1HD1 LEU 122 10.188 -7.686 -8.003 921 HD12 LEU 122 2HD1 LEU 122 11.472 -8.072 -6.858 922 HD13 LEU 122 3HD1 LEU 122 11.873 -7.657 -8.525 923 HD21 LEU 122 1HD2 LEU 122 10.984 -5.470 -9.368 924 HD22 LEU 122 2HD2 LEU 122 11.022 -4.093 -8.267 925 HD23 LEU 122 3HD2 LEU 122 9.605 -5.143 -8.318 926 H VAL 123 H VAL 123 10.566 -5.511 -3.046 927 HA VAL 123 HA VAL 123 7.943 -4.935 -2.428 928 HB VAL 123 HB VAL 123 10.279 -5.229 -0.538 929 HG11 VAL 123 1HG1 VAL 123 8.279 -4.057 0.437 930 HG12 VAL 123 2HG1 VAL 123 7.359 -5.532 0.132 931 HG13 VAL 123 3HG1 VAL 123 8.734 -5.561 1.237 932 HG21 VAL 123 1HG2 VAL 123 9.338 -7.526 -0.261 933 HG22 VAL 123 2HG2 VAL 123 8.240 -7.180 -1.598 934 HG23 VAL 123 3HG2 VAL 123 9.982 -7.196 -1.869 935 H GLU 124 H GLU 124 10.828 -2.990 -1.781 936 HA GLU 124 HA GLU 124 9.357 -0.939 -0.407 937 HB2 GLU 124 1HB GLU 124 11.459 0.263 -0.332 938 HB3 GLU 124 2HB GLU 124 11.729 -1.420 0.096 939 HG2 GLU 124 1HG GLU 124 12.487 -1.832 -2.230 940 HG3 GLU 124 2HG GLU 124 12.346 -0.102 -2.536 941 H MET 125 H MET 125 9.817 -1.753 -3.642 942 HA MET 125 HA MET 125 9.643 0.961 -4.658 943 HB2 MET 125 1HB MET 125 10.974 -0.912 -5.755 944 HB3 MET 125 2HB MET 125 9.430 -1.589 -6.254 945 HG2 MET 125 1HG MET 125 9.033 0.799 -7.232 946 HG3 MET 125 2HG MET 125 10.791 0.899 -7.158 947 HE1 MET 125 1HE MET 125 8.785 -2.703 -8.703 948 HE2 MET 125 2HE MET 125 8.002 -1.399 -7.811 949 HE3 MET 125 3HE MET 125 7.944 -1.420 -9.574 950 H ILE 126 H ILE 126 7.643 -1.980 -4.665 951 HA ILE 126 HA ILE 126 5.439 -0.901 -6.017 952 HB ILE 126 HB ILE 126 5.866 -3.346 -5.494 953 HG12 ILE 126 1HG1 ILE 126 3.073 -2.631 -4.690 954 HG13 ILE 126 2HG1 ILE 126 3.653 -2.154 -6.282 955 HG21 ILE 126 1HG2 ILE 126 4.261 -3.448 -3.137 956 HG22 ILE 126 2HG2 ILE 126 5.897 -4.052 -3.392 957 HG23 ILE 126 3HG2 ILE 126 5.644 -2.393 -2.849 958 HD11 ILE 126 1HD1 ILE 126 2.773 -4.161 -6.823 959 HD12 ILE 126 2HD1 ILE 126 4.377 -4.712 -6.336 960 HD13 ILE 126 3HD1 ILE 126 3.023 -4.832 -5.212 961 H PHE 127 H PHE 127 6.564 -0.429 -2.808 962 HA PHE 127 HA PHE 127 3.988 0.611 -1.901 963 HB2 PHE 127 1HB PHE 127 6.597 0.236 -0.417 964 HB3 PHE 127 2HB PHE 127 5.098 0.812 0.304 965 HD1 PHE 127 2HD PHE 127 3.177 -1.020 -1.073 966 HD2 PHE 127 1HD PHE 127 6.953 -1.757 0.748 967 HE1 PHE 127 2HE PHE 127 2.503 -3.343 -0.622 968 HE2 PHE 127 1HE PHE 127 6.285 -4.081 1.201 969 HZ PHE 127 HZ PHE 127 4.057 -4.877 0.517 970 H SER 128 H SER 128 7.336 1.662 -2.391 971 HA SER 128 HA SER 128 7.004 4.321 -1.556 972 HB2 SER 128 1HB SER 128 9.206 3.211 -1.909 973 HB3 SER 128 2HB SER 128 8.931 3.286 -3.649 974 HG SER 128 HG SER 128 8.610 5.668 -3.140 975 H GLU 129 H GLU 129 7.176 3.071 -4.896 976 HA GLU 129 HA GLU 129 4.968 4.573 -5.810 977 HB2 GLU 129 1HB GLU 129 6.669 6.404 -5.428 978 HB3 GLU 129 2HB GLU 129 7.631 5.675 -6.707 979 HG2 GLU 129 1HG GLU 129 5.568 5.935 -8.178 980 HG3 GLU 129 2HG GLU 129 4.946 6.991 -6.911 981 H ASP 130 H ASP 130 4.478 4.174 -7.999 982 HA ASP 130 HA ASP 130 5.044 1.703 -9.007 983 HB2 ASP 130 1HB ASP 130 4.020 2.367 -11.015 984 HB3 ASP 130 2HB ASP 130 3.313 3.431 -9.802 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.041 29.572 21.467 2 HA2 GLY 1 1HA GLY 1 1.535 28.314 19.961 3 HA3 GLY 1 2HA GLY 1 1.580 27.767 21.631 4 H SER 2 H SER 2 -0.289 27.196 18.649 5 HA SER 2 HA SER 2 -0.827 24.467 19.458 6 HB2 SER 2 1HB SER 2 -2.387 26.096 18.126 7 HB3 SER 2 2HB SER 2 -1.460 25.547 16.730 8 HG SER 2 HG SER 2 -3.458 24.338 17.389 9 H GLU 3 H GLU 3 -0.078 22.615 18.442 10 HA GLU 3 HA GLU 3 2.065 22.957 16.462 11 HB2 GLU 3 1HB GLU 3 2.198 21.315 18.992 12 HB3 GLU 3 2HB GLU 3 3.324 21.125 17.656 13 HG2 GLU 3 1HG GLU 3 2.900 23.760 19.023 14 HG3 GLU 3 2HG GLU 3 4.061 22.569 19.607 15 H GLY 4 H GLY 4 2.729 20.678 15.611 16 HA2 GLY 4 1HA GLY 4 0.297 19.033 15.303 17 HA3 GLY 4 2HA GLY 4 1.257 19.507 13.909 18 H ALA 5 H ALA 5 1.350 17.165 13.546 19 HA ALA 5 HA ALA 5 3.636 16.010 14.985 20 HB1 ALA 5 1HB ALA 5 2.604 13.874 15.174 21 HB2 ALA 5 2HB ALA 5 1.477 15.061 15.832 22 HB3 ALA 5 3HB ALA 5 1.214 14.393 14.221 23 H ALA 6 H ALA 6 4.878 14.504 13.780 24 HA ALA 6 HA ALA 6 5.288 15.159 11.101 25 HB1 ALA 6 1HB ALA 6 7.050 14.177 12.395 26 HB2 ALA 6 2HB ALA 6 6.115 12.700 12.634 27 HB3 ALA 6 3HB ALA 6 6.706 13.118 11.026 28 H THR 7 H THR 7 4.473 14.453 9.218 29 HA THR 7 HA THR 7 2.165 12.712 9.289 30 HB THR 7 HB THR 7 3.447 13.955 6.853 31 HG1 THR 7 1HG THR 7 2.850 15.755 7.825 32 HG21 THR 7 1HG2 THR 7 1.833 12.892 5.747 33 HG22 THR 7 2HG2 THR 7 0.632 13.787 6.678 34 HG23 THR 7 3HG2 THR 7 1.207 12.222 7.253 35 H MET 8 H MET 8 2.333 10.580 9.148 36 HA MET 8 HA MET 8 4.311 9.432 7.312 37 HB2 MET 8 1HB MET 8 3.846 8.530 10.159 38 HB3 MET 8 2HB MET 8 4.805 7.650 8.976 39 HG2 MET 8 1HG MET 8 6.517 9.179 9.019 40 HG3 MET 8 2HG MET 8 5.475 10.489 9.571 41 HE1 MET 8 1HE MET 8 7.694 7.336 11.896 42 HE2 MET 8 2HE MET 8 7.558 7.590 10.156 43 HE3 MET 8 3HE MET 8 8.546 8.678 11.132 44 H ALA 9 H ALA 9 3.802 7.267 6.606 45 HA ALA 9 HA ALA 9 0.990 6.914 6.172 46 HB1 ALA 9 1HB ALA 9 3.056 6.345 4.638 47 HB2 ALA 9 2HB ALA 9 2.943 4.787 5.459 48 HB3 ALA 9 3HB ALA 9 1.564 5.407 4.552 49 H THR 10 H THR 10 -0.050 4.750 6.493 50 HA THR 10 HA THR 10 0.855 3.447 8.970 51 HB THR 10 HB THR 10 -1.580 3.211 9.606 52 HG1 THR 10 1HG THR 10 -3.007 4.714 8.625 53 HG21 THR 10 1HG2 THR 10 -1.645 5.276 10.744 54 HG22 THR 10 2HG2 THR 10 -0.721 6.092 9.483 55 HG23 THR 10 3HG2 THR 10 0.069 4.919 10.536 56 H PHE 11 H PHE 11 0.844 1.282 8.913 57 HA PHE 11 HA PHE 11 -0.574 -0.026 6.685 58 HB2 PHE 11 1HB PHE 11 1.226 -1.397 6.251 59 HB3 PHE 11 2HB PHE 11 2.066 0.057 6.781 60 HD1 PHE 11 1HD PHE 11 0.860 -3.255 7.915 61 HD2 PHE 11 2HD PHE 11 3.489 0.014 8.636 62 HE1 PHE 11 1HE PHE 11 1.994 -4.558 9.668 63 HE2 PHE 11 2HE PHE 11 4.628 -1.283 10.389 64 HZ PHE 11 HZ PHE 11 3.881 -3.573 10.906 65 H GLU 12 H GLU 12 -1.958 -1.607 7.191 66 HA GLU 12 HA GLU 12 -1.967 -2.578 9.973 67 HB2 GLU 12 1HB GLU 12 -3.948 -1.280 9.526 68 HB3 GLU 12 2HB GLU 12 -4.257 -2.176 8.046 69 HG2 GLU 12 1HG GLU 12 -5.764 -3.079 9.550 70 HG3 GLU 12 2HG GLU 12 -4.433 -4.235 9.562 71 H GLU 13 H GLU 13 -1.924 -4.725 10.353 72 HA GLU 13 HA GLU 13 -1.591 -6.473 8.034 73 HB2 GLU 13 1HB GLU 13 0.010 -6.321 10.095 74 HB3 GLU 13 2HB GLU 13 -1.185 -7.351 10.871 75 HG2 GLU 13 1HG GLU 13 -0.139 -8.141 8.203 76 HG3 GLU 13 2HG GLU 13 0.884 -8.363 9.621 77 H VAL 14 H VAL 14 -3.066 -7.927 7.437 78 HA VAL 14 HA VAL 14 -5.164 -8.686 9.354 79 HB VAL 14 HB VAL 14 -5.642 -7.996 6.452 80 HG11 VAL 14 1HG1 VAL 14 -7.042 -9.753 8.055 81 HG12 VAL 14 2HG1 VAL 14 -7.961 -8.252 8.184 82 HG13 VAL 14 3HG1 VAL 14 -7.647 -8.962 6.600 83 HG21 VAL 14 1HG2 VAL 14 -6.374 -6.539 8.988 84 HG22 VAL 14 2HG2 VAL 14 -5.282 -5.983 7.719 85 HG23 VAL 14 3HG2 VAL 14 -7.008 -6.142 7.391 86 H SER 15 H SER 15 -4.996 -10.800 9.669 87 HA SER 15 HA SER 15 -3.927 -12.512 7.563 88 HB2 SER 15 1HB SER 15 -2.966 -12.851 9.748 89 HB3 SER 15 2HB SER 15 -4.563 -13.035 10.475 90 HG SER 15 HG SER 15 -3.811 -14.753 8.393 91 H VAL 16 H VAL 16 -5.164 -13.719 6.291 92 HA VAL 16 HA VAL 16 -7.820 -14.543 7.219 93 HB VAL 16 HB VAL 16 -8.719 -14.050 4.911 94 HG11 VAL 16 1HG1 VAL 16 -8.836 -11.516 5.397 95 HG12 VAL 16 2HG1 VAL 16 -9.511 -12.639 6.579 96 HG13 VAL 16 3HG1 VAL 16 -7.927 -11.914 6.855 97 HG21 VAL 16 1HG2 VAL 16 -6.767 -11.919 4.473 98 HG22 VAL 16 2HG2 VAL 16 -6.102 -13.542 4.290 99 HG23 VAL 16 3HG2 VAL 16 -7.493 -13.046 3.327 100 H LEU 17 H LEU 17 -8.742 -16.304 5.945 101 HA LEU 17 HA LEU 17 -6.760 -17.835 4.411 102 HB2 LEU 17 1HB LEU 17 -7.175 -18.512 6.919 103 HB3 LEU 17 2HB LEU 17 -8.616 -19.273 6.247 104 HG LEU 17 HG LEU 17 -5.976 -19.888 5.011 105 HD11 LEU 17 1HD1 LEU 17 -5.749 -21.766 6.667 106 HD12 LEU 17 2HD1 LEU 17 -6.935 -20.927 7.666 107 HD13 LEU 17 3HD1 LEU 17 -5.394 -20.155 7.293 108 HD21 LEU 17 1HD2 LEU 17 -7.974 -21.959 5.624 109 HD22 LEU 17 2HD2 LEU 17 -7.063 -21.659 4.143 110 HD23 LEU 17 3HD2 LEU 17 -8.502 -20.703 4.504 111 H GLY 18 H GLY 18 -7.553 -18.230 2.459 112 HA2 GLY 18 1HA GLY 18 -9.101 -19.315 1.017 113 HA3 GLY 18 2HA GLY 18 -10.363 -19.034 2.207 114 H PHE 19 H PHE 19 -10.969 -18.477 -0.338 115 HA PHE 19 HA PHE 19 -10.388 -15.755 -1.037 116 HB2 PHE 19 1HB PHE 19 -10.898 -17.615 -2.678 117 HB3 PHE 19 2HB PHE 19 -12.579 -17.495 -2.171 118 HD1 PHE 19 2HD PHE 19 -13.706 -15.198 -2.401 119 HD2 PHE 19 1HD PHE 19 -10.090 -16.264 -4.376 120 HE1 PHE 19 2HE PHE 19 -14.071 -13.395 -4.035 121 HE2 PHE 19 1HE PHE 19 -10.448 -14.462 -6.013 122 HZ PHE 19 HZ PHE 19 -12.441 -13.026 -5.844 123 H GLU 20 H GLU 20 -12.921 -17.436 0.671 124 HA GLU 20 HA GLU 20 -14.956 -15.533 0.564 125 HB2 GLU 20 1HB GLU 20 -14.205 -17.580 2.639 126 HB3 GLU 20 2HB GLU 20 -15.595 -16.525 2.849 127 HG2 GLU 20 1HG GLU 20 -16.743 -17.471 1.066 128 HG3 GLU 20 2HG GLU 20 -15.281 -18.169 0.371 129 H GLU 21 H GLU 21 -12.786 -16.048 3.350 130 HA GLU 21 HA GLU 21 -13.399 -13.672 4.661 131 HB2 GLU 21 1HB GLU 21 -10.877 -15.333 4.712 132 HB3 GLU 21 2HB GLU 21 -11.180 -13.992 5.809 133 HG2 GLU 21 1HG GLU 21 -13.139 -16.236 5.593 134 HG3 GLU 21 2HG GLU 21 -11.685 -16.406 6.574 135 H PHE 22 H PHE 22 -10.749 -14.372 2.401 136 HA PHE 22 HA PHE 22 -9.370 -12.006 2.468 137 HB2 PHE 22 1HB PHE 22 -8.460 -13.689 1.110 138 HB3 PHE 22 2HB PHE 22 -9.959 -13.903 0.213 139 HD1 PHE 22 2HD PHE 22 -7.952 -10.860 0.983 140 HD2 PHE 22 1HD PHE 22 -9.530 -13.452 -2.001 141 HE1 PHE 22 2HE PHE 22 -7.114 -9.348 -0.768 142 HE2 PHE 22 1HE PHE 22 -8.694 -11.945 -3.757 143 HZ PHE 22 HZ PHE 22 -7.486 -9.889 -3.142 144 H ASP 23 H ASP 23 -12.195 -12.739 0.434 145 HA ASP 23 HA ASP 23 -12.426 -10.356 -0.926 146 HB2 ASP 23 1HB ASP 23 -13.840 -12.361 -1.312 147 HB3 ASP 23 2HB ASP 23 -14.721 -11.996 0.168 148 H LYS 24 H LYS 24 -13.848 -11.166 2.234 149 HA LYS 24 HA LYS 24 -15.127 -8.744 2.724 150 HB2 LYS 24 1HB LYS 24 -14.082 -10.953 4.423 151 HB3 LYS 24 2HB LYS 24 -14.498 -9.443 5.223 152 HG2 LYS 24 1HG LYS 24 -16.756 -9.582 4.484 153 HG3 LYS 24 2HG LYS 24 -16.384 -10.943 3.423 154 HD2 LYS 24 1HD LYS 24 -17.352 -11.977 5.262 155 HD3 LYS 24 2HD LYS 24 -15.625 -12.120 5.603 156 HE2 LYS 24 1HE LYS 24 -15.774 -10.106 7.021 157 HE3 LYS 24 2HE LYS 24 -17.510 -10.044 6.720 158 HZ1 LYS 24 1HZ LYS 24 -17.791 -11.428 8.405 159 HZ2 LYS 24 2HZ LYS 24 -16.121 -11.545 8.647 160 HZ3 LYS 24 3HZ LYS 24 -16.900 -12.617 7.596 161 H ALA 25 H ALA 25 -11.971 -9.757 4.052 162 HA ALA 25 HA ALA 25 -11.193 -7.398 5.205 163 HB1 ALA 25 1HB ALA 25 -9.833 -9.278 5.567 164 HB2 ALA 25 2HB ALA 25 -9.570 -9.525 3.840 165 HB3 ALA 25 3HB ALA 25 -8.825 -8.151 4.658 166 H VAL 26 H VAL 26 -11.265 -8.209 1.812 167 HA VAL 26 HA VAL 26 -9.663 -5.992 0.954 168 HB VAL 26 HB VAL 26 -11.493 -7.869 -0.536 169 HG11 VAL 26 1HG1 VAL 26 -11.498 -5.668 -1.629 170 HG12 VAL 26 2HG1 VAL 26 -9.735 -5.710 -1.699 171 HG13 VAL 26 3HG1 VAL 26 -10.684 -6.890 -2.605 172 HG21 VAL 26 1HG2 VAL 26 -8.764 -7.876 -1.382 173 HG22 VAL 26 2HG2 VAL 26 -8.828 -8.060 0.371 174 HG23 VAL 26 3HG2 VAL 26 -9.707 -9.184 -0.666 175 H LYS 27 H LYS 27 -13.116 -6.721 0.416 176 HA LYS 27 HA LYS 27 -13.867 -4.214 -0.497 177 HB2 LYS 27 1HB LYS 27 -16.025 -4.974 -0.391 178 HB3 LYS 27 2HB LYS 27 -15.174 -6.508 -0.263 179 HG2 LYS 27 1HG LYS 27 -15.431 -6.472 2.152 180 HG3 LYS 27 2HG LYS 27 -16.237 -4.905 2.055 181 HD2 LYS 27 1HD LYS 27 -17.290 -7.265 0.537 182 HD3 LYS 27 2HD LYS 27 -17.677 -7.047 2.246 183 HE2 LYS 27 1HE LYS 27 -18.927 -5.160 1.860 184 HE3 LYS 27 2HE LYS 27 -18.049 -4.748 0.388 185 HZ1 LYS 27 1HZ LYS 27 -20.490 -6.011 0.563 186 HZ2 LYS 27 2HZ LYS 27 -19.407 -7.223 0.096 187 HZ3 LYS 27 3HZ LYS 27 -19.546 -5.813 -0.828 188 H GLU 28 H GLU 28 -13.340 -5.339 2.762 189 HA GLU 28 HA GLU 28 -14.667 -3.237 4.116 190 HB2 GLU 28 1HB GLU 28 -12.643 -5.299 4.855 191 HB3 GLU 28 2HB GLU 28 -12.881 -3.941 5.945 192 HG2 GLU 28 1HG GLU 28 -15.323 -4.495 5.954 193 HG3 GLU 28 2HG GLU 28 -14.921 -5.965 5.069 194 H HIS 29 H HIS 29 -11.417 -3.610 2.838 195 HA HIS 29 HA HIS 29 -10.762 -0.894 3.761 196 HB2 HIS 29 1HB HIS 29 -8.824 -2.959 2.712 197 HB3 HIS 29 2HB HIS 29 -8.446 -1.469 3.573 198 HD1 HIS 29 1HD HIS 29 -10.218 -1.679 6.011 199 HD2 HIS 29 2HD HIS 29 -8.117 -4.906 4.453 200 HE1 HIS 29 1HE HIS 29 -9.968 -3.301 7.916 201 HE2 HIS 29 2HE HIS 29 -8.620 -5.208 6.972 202 H GLU 30 H GLU 30 -12.354 -1.792 1.348 203 HA GLU 30 HA GLU 30 -10.880 -1.374 -0.998 204 HB2 GLU 30 1HB GLU 30 -12.933 -1.254 -2.120 205 HB3 GLU 30 2HB GLU 30 -13.267 -2.274 -0.728 206 HG2 GLU 30 1HG GLU 30 -14.277 -0.402 0.435 207 HG3 GLU 30 2HG GLU 30 -13.891 0.665 -0.914 208 H SER 31 H SER 31 -11.625 0.781 1.465 209 HA SER 31 HA SER 31 -11.863 3.160 -0.134 210 HB2 SER 31 1HB SER 31 -11.766 2.533 2.778 211 HB3 SER 31 2HB SER 31 -11.331 4.168 2.280 212 HG SER 31 HG SER 31 -13.602 3.849 2.733 213 H LYS 32 H LYS 32 -9.318 1.590 1.749 214 HA LYS 32 HA LYS 32 -7.388 3.525 0.651 215 HB2 LYS 32 1HB LYS 32 -7.065 1.755 3.080 216 HB3 LYS 32 2HB LYS 32 -5.939 2.989 2.529 217 HG2 LYS 32 1HG LYS 32 -7.003 4.150 4.164 218 HG3 LYS 32 2HG LYS 32 -8.057 4.542 2.803 219 HD2 LYS 32 1HD LYS 32 -9.685 2.976 3.484 220 HD3 LYS 32 2HD LYS 32 -8.575 2.196 4.612 221 HE2 LYS 32 1HE LYS 32 -10.075 3.511 5.904 222 HE3 LYS 32 2HE LYS 32 -8.525 4.350 5.899 223 HZ1 LYS 32 1HZ LYS 32 -10.470 5.814 5.531 224 HZ2 LYS 32 2HZ LYS 32 -10.770 5.010 4.074 225 HZ3 LYS 32 3HZ LYS 32 -9.334 5.880 4.279 226 H THR 33 H THR 33 -5.159 2.587 0.322 227 HA THR 33 HA THR 33 -5.166 0.647 -1.635 228 HB THR 33 HB THR 33 -2.861 1.246 0.230 229 HG1 THR 33 1HG THR 33 -2.936 3.137 -0.706 230 HG21 THR 33 1HG2 THR 33 -1.854 -0.377 -0.941 231 HG22 THR 33 2HG2 THR 33 -1.873 0.750 -2.298 232 HG23 THR 33 3HG2 THR 33 -3.159 -0.444 -2.124 233 H ILE 34 H ILE 34 -4.781 -1.546 -1.720 234 HA ILE 34 HA ILE 34 -4.698 -2.974 0.854 235 HB ILE 34 HB ILE 34 -6.480 -3.513 -1.508 236 HG12 ILE 34 1HG1 ILE 34 -7.164 -3.542 1.426 237 HG13 ILE 34 2HG1 ILE 34 -7.147 -2.047 0.496 238 HG21 ILE 34 1HG2 ILE 34 -7.085 -5.623 -0.139 239 HG22 ILE 34 2HG2 ILE 34 -5.656 -5.653 -1.171 240 HG23 ILE 34 3HG2 ILE 34 -5.483 -5.422 0.569 241 HD11 ILE 34 1HD1 ILE 34 -9.376 -3.234 0.794 242 HD12 ILE 34 2HD1 ILE 34 -8.937 -2.728 -0.838 243 HD13 ILE 34 3HD1 ILE 34 -8.765 -4.417 -0.362 244 H PHE 35 H PHE 35 -3.483 -4.837 0.925 245 HA PHE 35 HA PHE 35 -2.067 -5.607 -1.533 246 HB2 PHE 35 1HB PHE 35 -0.904 -4.887 1.137 247 HB3 PHE 35 2HB PHE 35 -0.072 -6.037 0.095 248 HD1 PHE 35 2HD PHE 35 0.612 -5.304 -2.210 249 HD2 PHE 35 1HD PHE 35 -0.761 -2.581 0.758 250 HE1 PHE 35 2HE PHE 35 1.629 -3.441 -3.454 251 HE2 PHE 35 1HE PHE 35 0.253 -0.713 -0.481 252 HZ PHE 35 HZ PHE 35 1.451 -1.142 -2.590 253 H ALA 36 H ALA 36 -2.773 -7.599 -1.944 254 HA ALA 36 HA ALA 36 -3.307 -9.439 0.265 255 HB1 ALA 36 1HB ALA 36 -5.089 -9.743 -1.076 256 HB2 ALA 36 2HB ALA 36 -4.235 -9.186 -2.516 257 HB3 ALA 36 3HB ALA 36 -4.003 -10.835 -1.936 258 H TYR 37 H TYR 37 -1.835 -10.871 0.873 259 HA TYR 37 HA TYR 37 0.306 -11.580 -1.017 260 HB2 TYR 37 1HB TYR 37 0.991 -10.454 1.104 261 HB3 TYR 37 2HB TYR 37 0.331 -11.818 1.999 262 HD1 TYR 37 1HD TYR 37 2.575 -11.397 -0.971 263 HD2 TYR 37 2HD TYR 37 1.940 -13.246 2.809 264 HE1 TYR 37 1HE TYR 37 4.723 -12.574 -1.192 265 HE2 TYR 37 2HE TYR 37 4.087 -14.427 2.598 266 HH TYR 37 HH TYR 37 5.597 -15.174 0.695 267 H PHE 38 H PHE 38 -0.713 -13.281 -2.060 268 HA PHE 38 HA PHE 38 -1.917 -15.436 -0.582 269 HB2 PHE 38 1HB PHE 38 -1.146 -15.508 -3.494 270 HB3 PHE 38 2HB PHE 38 -2.432 -16.398 -2.686 271 HD1 PHE 38 1HD PHE 38 -4.211 -14.802 -1.485 272 HD2 PHE 38 2HD PHE 38 -1.760 -13.730 -4.795 273 HE1 PHE 38 1HE PHE 38 -5.817 -13.042 -2.100 274 HE2 PHE 38 2HE PHE 38 -3.361 -11.967 -5.414 275 HZ PHE 38 HZ PHE 38 -5.392 -11.621 -4.065 276 H SER 39 H SER 39 -0.663 -16.762 0.557 277 HA SER 39 HA SER 39 1.667 -17.951 -0.779 278 HB2 SER 39 1HB SER 39 1.644 -17.042 2.109 279 HB3 SER 39 2HB SER 39 2.990 -17.803 1.261 280 HG SER 39 HG SER 39 2.551 -15.850 -0.246 281 H GLY 40 H GLY 40 2.463 -19.910 0.544 282 HA2 GLY 40 1HA GLY 40 0.319 -21.755 0.716 283 HA3 GLY 40 2HA GLY 40 1.984 -22.063 1.187 284 H SER 41 H SER 41 -0.514 -22.884 2.484 285 HA SER 41 HA SER 41 -1.156 -21.400 4.737 286 HB2 SER 41 1HB SER 41 -2.257 -23.544 3.837 287 HB3 SER 41 2HB SER 41 -1.037 -24.413 4.768 288 HG SER 41 HG SER 41 -3.258 -23.021 5.623 289 H LYS 42 H LYS 42 -0.606 -21.813 7.000 290 HA LYS 42 HA LYS 42 2.280 -22.158 7.299 291 HB2 LYS 42 1HB LYS 42 0.220 -21.123 9.257 292 HB3 LYS 42 2HB LYS 42 1.959 -21.146 9.520 293 HG2 LYS 42 1HG LYS 42 2.179 -19.674 7.495 294 HG3 LYS 42 2HG LYS 42 0.421 -19.511 7.520 295 HD2 LYS 42 1HD LYS 42 2.117 -18.897 9.925 296 HD3 LYS 42 2HD LYS 42 1.782 -17.690 8.682 297 HE2 LYS 42 1HE LYS 42 -0.477 -17.618 9.179 298 HE3 LYS 42 2HE LYS 42 -0.469 -19.217 9.922 299 HZ1 LYS 42 1HZ LYS 42 -0.315 -18.191 11.864 300 HZ2 LYS 42 2HZ LYS 42 -0.090 -16.681 11.135 301 HZ3 LYS 42 3HZ LYS 42 1.241 -17.680 11.439 302 H ASP 43 H ASP 43 3.206 -23.792 8.398 303 HA ASP 43 HA ASP 43 1.555 -26.038 9.138 304 HB2 ASP 43 1HB ASP 43 3.718 -27.163 9.595 305 HB3 ASP 43 2HB ASP 43 3.647 -26.460 7.982 306 H THR 44 H THR 44 2.552 -27.227 11.245 307 HA THR 44 HA THR 44 1.461 -25.977 13.446 308 HB THR 44 HB THR 44 2.762 -27.567 14.841 309 HG1 THR 44 1HG THR 44 4.144 -29.042 13.696 310 HG21 THR 44 1HG2 THR 44 1.045 -28.277 12.585 311 HG22 THR 44 2HG2 THR 44 0.967 -28.788 14.271 312 HG23 THR 44 3HG2 THR 44 2.051 -29.610 13.149 313 H GLU 45 H GLU 45 4.731 -25.761 12.184 314 HA GLU 45 HA GLU 45 5.851 -24.430 14.432 315 HB2 GLU 45 1HB GLU 45 6.973 -25.641 12.364 316 HB3 GLU 45 2HB GLU 45 6.946 -24.019 11.685 317 HG2 GLU 45 1HG GLU 45 9.062 -24.333 12.700 318 HG3 GLU 45 2HG GLU 45 8.146 -23.227 13.722 319 H GLY 46 H GLY 46 3.903 -23.409 11.780 320 HA2 GLY 46 1HA GLY 46 2.760 -21.341 11.740 321 HA3 GLY 46 2HA GLY 46 3.983 -20.671 12.809 322 H LYS 47 H LYS 47 4.832 -22.497 9.962 323 HA LYS 47 HA LYS 47 5.473 -20.018 8.528 324 HB2 LYS 47 1HB LYS 47 7.692 -20.711 8.031 325 HB3 LYS 47 2HB LYS 47 7.486 -20.908 9.767 326 HG2 LYS 47 1HG LYS 47 8.502 -22.879 9.282 327 HG3 LYS 47 2HG LYS 47 6.819 -23.361 9.053 328 HD2 LYS 47 1HD LYS 47 6.996 -23.169 6.693 329 HD3 LYS 47 2HD LYS 47 8.556 -22.351 6.810 330 HE2 LYS 47 1HE LYS 47 8.076 -25.173 7.746 331 HE3 LYS 47 2HE LYS 47 8.656 -24.769 6.131 332 HZ1 LYS 47 1HZ LYS 47 10.677 -24.121 6.916 333 HZ2 LYS 47 2HZ LYS 47 10.310 -25.299 8.072 334 HZ3 LYS 47 3HZ LYS 47 10.088 -23.662 8.434 335 H SER 48 H SER 48 5.479 -20.178 6.280 336 HA SER 48 HA SER 48 3.724 -22.087 5.170 337 HB2 SER 48 1HB SER 48 4.226 -19.724 4.321 338 HB3 SER 48 2HB SER 48 5.664 -20.417 3.572 339 HG SER 48 HG SER 48 3.544 -20.297 2.344 340 H TRP 49 H TRP 49 4.071 -24.067 4.414 341 HA TRP 49 HA TRP 49 6.275 -25.586 4.775 342 HB2 TRP 49 1HB TRP 49 5.461 -26.878 2.663 343 HB3 TRP 49 2HB TRP 49 4.402 -26.769 4.066 344 HD1 TRP 49 HD TRP 49 2.154 -25.404 3.806 345 HE1 TRP 49 1HE TRP 49 0.915 -24.441 1.765 346 HE3 TRP 49 3HE TRP 49 5.888 -25.786 0.334 347 HZ2 TRP 49 2HZ TRP 49 1.449 -23.914 -0.956 348 HZ3 TRP 49 3HZ TRP 49 5.442 -25.031 -1.965 349 HH2 TRP 49 HH TRP 49 3.268 -24.115 -2.595 350 H CYS 50 H CYS 50 5.652 -23.489 2.003 351 HA CYS 50 HA CYS 50 7.911 -24.274 0.492 352 HB2 CYS 50 1HB CYS 50 6.032 -23.113 -0.540 353 HB3 CYS 50 2HB CYS 50 6.336 -21.692 0.452 354 HG CYS 50 HG CYS 50 7.248 -21.938 -2.489 355 HA PRO 51 HA PRO 51 11.145 -22.321 2.774 356 HB2 PRO 51 1HB PRO 51 13.053 -22.384 0.844 357 HB3 PRO 51 2HB PRO 51 12.553 -23.819 1.748 358 HG2 PRO 51 1HG PRO 51 11.730 -22.920 -0.986 359 HG3 PRO 51 2HG PRO 51 12.153 -24.548 -0.423 360 HD2 PRO 51 1HD PRO 51 9.589 -23.737 -0.744 361 HD3 PRO 51 2HD PRO 51 10.073 -24.904 0.504 362 H ASP 52 H ASP 52 10.070 -21.154 -0.348 363 HA ASP 52 HA ASP 52 11.543 -18.700 -0.250 364 HB2 ASP 52 1HB ASP 52 9.102 -19.335 -1.918 365 HB3 ASP 52 2HB ASP 52 10.296 -18.075 -2.220 366 H CYS 53 H CYS 53 8.088 -19.493 0.134 367 HA CYS 53 HA CYS 53 7.091 -17.016 0.739 368 HB2 CYS 53 1HB CYS 53 6.346 -19.755 1.733 369 HB3 CYS 53 2HB CYS 53 5.470 -18.328 2.276 370 HG CYS 53 HG CYS 53 4.519 -20.042 -0.081 371 H VAL 54 H VAL 54 9.274 -18.895 2.593 372 HA VAL 54 HA VAL 54 8.728 -17.490 5.079 373 HB VAL 54 HB VAL 54 10.925 -19.468 4.456 374 HG11 VAL 54 1HG1 VAL 54 9.886 -18.962 7.195 375 HG12 VAL 54 2HG1 VAL 54 11.497 -19.455 6.669 376 HG13 VAL 54 3HG1 VAL 54 10.982 -17.777 6.485 377 HG21 VAL 54 1HG2 VAL 54 9.476 -21.137 4.713 378 HG22 VAL 54 2HG2 VAL 54 8.812 -20.420 6.181 379 HG23 VAL 54 3HG2 VAL 54 8.186 -19.939 4.604 380 H GLU 55 H GLU 55 11.347 -17.741 2.695 381 HA GLU 55 HA GLU 55 12.966 -15.770 4.008 382 HB2 GLU 55 1HB GLU 55 13.877 -17.626 2.593 383 HB3 GLU 55 2HB GLU 55 13.213 -16.813 1.183 384 HG2 GLU 55 1HG GLU 55 14.687 -15.002 1.396 385 HG3 GLU 55 2HG GLU 55 15.137 -15.456 3.039 386 H ALA 56 H ALA 56 10.180 -15.535 2.260 387 HA ALA 56 HA ALA 56 10.893 -12.947 1.063 388 HB1 ALA 56 1HB ALA 56 9.913 -14.248 -0.597 389 HB2 ALA 56 2HB ALA 56 8.707 -14.917 0.503 390 HB3 ALA 56 3HB ALA 56 8.581 -13.240 -0.030 391 H GLU 57 H GLU 57 8.657 -14.508 3.295 392 HA GLU 57 HA GLU 57 6.827 -12.565 3.821 393 HB2 GLU 57 1HB GLU 57 7.440 -14.912 4.993 394 HB3 GLU 57 2HB GLU 57 8.028 -13.808 6.229 395 HG2 GLU 57 1HG GLU 57 5.827 -12.751 6.331 396 HG3 GLU 57 2HG GLU 57 5.238 -13.866 5.099 397 HA PRO 58 HA PRO 58 9.909 -10.387 6.867 398 HB2 PRO 58 1HB PRO 58 12.535 -11.011 6.576 399 HB3 PRO 58 2HB PRO 58 11.455 -11.883 7.672 400 HG2 PRO 58 1HG PRO 58 12.363 -12.627 4.918 401 HG3 PRO 58 2HG PRO 58 12.213 -13.647 6.360 402 HD2 PRO 58 1HD PRO 58 10.353 -13.624 4.393 403 HD3 PRO 58 2HD PRO 58 9.938 -13.904 6.096 404 H VAL 59 H VAL 59 10.511 -11.031 3.538 405 HA VAL 59 HA VAL 59 12.075 -8.622 3.116 406 HB VAL 59 HB VAL 59 10.923 -10.355 0.944 407 HG11 VAL 59 1HG1 VAL 59 12.455 -8.037 0.929 408 HG12 VAL 59 2HG1 VAL 59 13.604 -9.333 0.591 409 HG13 VAL 59 3HG1 VAL 59 12.178 -9.130 -0.427 410 HG21 VAL 59 1HG2 VAL 59 12.132 -11.709 2.708 411 HG22 VAL 59 2HG2 VAL 59 12.764 -11.836 1.066 412 HG23 VAL 59 3HG2 VAL 59 13.590 -10.828 2.254 413 H ILE 60 H ILE 60 8.781 -9.688 2.871 414 HA ILE 60 HA ILE 60 7.985 -7.338 1.342 415 HB ILE 60 HB ILE 60 6.318 -9.615 2.421 416 HG12 ILE 60 1HG1 ILE 60 7.451 -9.030 -0.318 417 HG13 ILE 60 2HG1 ILE 60 7.781 -10.427 0.701 418 HG21 ILE 60 1HG2 ILE 60 4.456 -8.706 1.423 419 HG22 ILE 60 2HG2 ILE 60 5.283 -7.256 1.988 420 HG23 ILE 60 3HG2 ILE 60 5.401 -7.735 0.295 421 HD11 ILE 60 1HD1 ILE 60 5.474 -9.855 -1.049 422 HD12 ILE 60 2HD1 ILE 60 6.301 -11.376 -0.713 423 HD13 ILE 60 3HD1 ILE 60 5.151 -10.721 0.453 424 H ARG 61 H ARG 61 7.328 -8.810 4.512 425 HA ARG 61 HA ARG 61 5.627 -6.832 5.503 426 HB2 ARG 61 1HB ARG 61 6.389 -9.177 6.463 427 HB3 ARG 61 2HB ARG 61 7.546 -8.188 7.344 428 HG2 ARG 61 1HG ARG 61 5.952 -7.235 8.651 429 HG3 ARG 61 2HG ARG 61 4.706 -7.348 7.406 430 HD2 ARG 61 1HD ARG 61 5.762 -9.877 8.550 431 HD3 ARG 61 2HD ARG 61 4.700 -8.899 9.562 432 HE ARG 61 HE ARG 61 3.690 -9.386 6.908 433 HH11 ARG 61 2HH1 ARG 61 3.867 -10.550 10.184 434 HH12 ARG 61 1HH1 ARG 61 2.427 -11.505 10.061 435 HH21 ARG 61 2HH2 ARG 61 1.793 -10.640 6.733 436 HH22 ARG 61 1HH2 ARG 61 1.248 -11.556 8.097 437 H GLU 62 H GLU 62 9.153 -7.068 5.559 438 HA GLU 62 HA GLU 62 9.612 -4.820 7.204 439 HB2 GLU 62 1HB GLU 62 11.324 -6.242 5.171 440 HB3 GLU 62 2HB GLU 62 11.910 -4.864 6.092 441 HG2 GLU 62 1HG GLU 62 10.759 -7.261 7.463 442 HG3 GLU 62 2HG GLU 62 12.441 -7.224 6.938 443 H GLY 63 H GLY 63 9.350 -5.202 3.697 444 HA2 GLY 63 1HA GLY 63 10.059 -2.531 3.049 445 HA3 GLY 63 2HA GLY 63 9.204 -3.655 2.002 446 H LEU 64 H LEU 64 7.040 -4.041 3.963 447 HA LEU 64 HA LEU 64 5.200 -2.208 3.022 448 HB2 LEU 64 1HB LEU 64 5.294 -3.985 5.416 449 HB3 LEU 64 2HB LEU 64 3.975 -2.828 5.252 450 HG LEU 64 HG LEU 64 4.621 -4.858 3.127 451 HD11 LEU 64 1HD1 LEU 64 2.282 -5.433 4.732 452 HD12 LEU 64 2HD1 LEU 64 3.764 -5.480 5.686 453 HD13 LEU 64 3HD1 LEU 64 3.609 -6.489 4.248 454 HD21 LEU 64 1HD2 LEU 64 2.472 -4.360 2.282 455 HD22 LEU 64 2HD2 LEU 64 3.235 -2.806 2.617 456 HD23 LEU 64 3HD2 LEU 64 2.029 -3.456 3.729 457 H LYS 65 H LYS 65 7.657 -1.731 5.317 458 HA LYS 65 HA LYS 65 6.378 0.410 6.757 459 HB2 LYS 65 1HB LYS 65 9.254 -0.517 6.664 460 HB3 LYS 65 2HB LYS 65 8.659 0.755 7.723 461 HG2 LYS 65 1HG LYS 65 7.131 -0.868 8.771 462 HG3 LYS 65 2HG LYS 65 7.811 -2.135 7.748 463 HD2 LYS 65 1HD LYS 65 8.941 -2.320 9.805 464 HD3 LYS 65 2HD LYS 65 10.071 -1.497 8.727 465 HE2 LYS 65 1HE LYS 65 9.027 0.667 9.710 466 HE3 LYS 65 2HE LYS 65 8.477 -0.392 11.007 467 HZ1 LYS 65 1HZ LYS 65 10.674 0.742 11.364 468 HZ2 LYS 65 2HZ LYS 65 11.310 -0.253 10.153 469 HZ3 LYS 65 3HZ LYS 65 10.682 -0.938 11.567 470 H HIS 66 H HIS 66 8.565 0.091 4.033 471 HA HIS 66 HA HIS 66 9.272 2.841 3.867 472 HB2 HIS 66 1HB HIS 66 9.351 0.636 1.799 473 HB3 HIS 66 2HB HIS 66 10.035 2.241 1.560 474 HD1 HIS 66 1HD HIS 66 12.453 2.339 2.013 475 HD2 HIS 66 2HD HIS 66 10.586 -0.595 4.286 476 HE1 HIS 66 1HE HIS 66 14.292 1.233 3.324 477 HE2 HIS 66 2HE HIS 66 13.150 -0.595 4.627 478 H VAL 67 H VAL 67 6.444 1.127 3.098 479 HA VAL 67 HA VAL 67 5.425 2.382 0.864 480 HB VAL 67 HB VAL 67 4.391 0.528 2.368 481 HG11 VAL 67 1HG1 VAL 67 2.793 2.816 3.456 482 HG12 VAL 67 2HG1 VAL 67 2.875 1.146 4.019 483 HG13 VAL 67 3HG1 VAL 67 4.233 2.238 4.293 484 HG21 VAL 67 1HG2 VAL 67 3.387 2.210 0.354 485 HG22 VAL 67 2HG2 VAL 67 2.808 0.608 0.809 486 HG23 VAL 67 3HG2 VAL 67 2.100 2.044 1.548 487 H THR 68 H THR 68 4.352 4.269 0.439 488 HA THR 68 HA THR 68 4.353 6.281 2.595 489 HB THR 68 HB THR 68 5.991 6.654 0.683 490 HG1 THR 68 1HG THR 68 5.205 8.346 2.073 491 HG21 THR 68 1HG2 THR 68 4.179 7.941 -1.079 492 HG22 THR 68 2HG2 THR 68 3.603 6.292 -0.832 493 HG23 THR 68 3HG2 THR 68 5.244 6.576 -1.413 494 H GLU 69 H GLU 69 2.178 4.520 2.083 495 HA GLU 69 HA GLU 69 0.094 6.472 1.708 496 HB2 GLU 69 1HB GLU 69 -1.069 5.223 -0.076 497 HB3 GLU 69 2HB GLU 69 0.476 5.869 -0.610 498 HG2 GLU 69 1HG GLU 69 1.340 3.488 0.090 499 HG3 GLU 69 2HG GLU 69 -0.350 3.052 -0.158 500 H ASP 70 H ASP 70 -1.245 6.078 3.327 501 HA ASP 70 HA ASP 70 -1.272 3.936 5.017 502 HB2 ASP 70 1HB ASP 70 -3.740 4.578 5.424 503 HB3 ASP 70 2HB ASP 70 -2.506 5.800 5.718 504 H CYS 71 H CYS 71 -1.171 1.914 4.150 505 HA CYS 71 HA CYS 71 -3.480 1.051 2.535 506 HB2 CYS 71 1HB CYS 71 -2.094 -0.534 1.420 507 HB3 CYS 71 2HB CYS 71 -1.219 0.992 1.404 508 HG CYS 71 HG CYS 71 0.790 -0.716 1.854 509 H VAL 72 H VAL 72 -3.779 -1.431 2.724 510 HA VAL 72 HA VAL 72 -3.436 -2.261 5.528 511 HB VAL 72 HB VAL 72 -5.946 -2.653 3.892 512 HG11 VAL 72 1HG1 VAL 72 -5.079 -3.595 6.597 513 HG12 VAL 72 2HG1 VAL 72 -6.789 -3.338 6.243 514 HG13 VAL 72 3HG1 VAL 72 -5.856 -4.496 5.295 515 HG21 VAL 72 1HG2 VAL 72 -5.487 -0.313 4.728 516 HG22 VAL 72 2HG2 VAL 72 -7.001 -1.038 5.265 517 HG23 VAL 72 3HG2 VAL 72 -5.621 -0.964 6.361 518 H PHE 73 H PHE 73 -1.922 -3.813 5.262 519 HA PHE 73 HA PHE 73 -1.760 -5.566 3.058 520 HB2 PHE 73 1HB PHE 73 0.138 -5.041 4.576 521 HB3 PHE 73 2HB PHE 73 -0.651 -5.975 5.843 522 HD1 PHE 73 2HD PHE 73 0.899 -6.199 2.498 523 HD2 PHE 73 1HD PHE 73 -0.460 -8.317 5.931 524 HE1 PHE 73 2HE PHE 73 1.991 -8.240 1.666 525 HE2 PHE 73 1HE PHE 73 0.631 -10.362 5.105 526 HZ PHE 73 HZ PHE 73 1.857 -10.326 2.969 527 H ILE 74 H ILE 74 -2.238 -7.787 2.902 528 HA ILE 74 HA ILE 74 -4.051 -8.893 4.921 529 HB ILE 74 HB ILE 74 -4.666 -8.929 1.964 530 HG12 ILE 74 1HG1 ILE 74 -6.010 -7.413 4.213 531 HG13 ILE 74 2HG1 ILE 74 -5.011 -6.701 2.951 532 HG21 ILE 74 1HG2 ILE 74 -6.603 -10.137 2.472 533 HG22 ILE 74 2HG2 ILE 74 -5.346 -10.900 3.445 534 HG23 ILE 74 3HG2 ILE 74 -6.483 -9.779 4.195 535 HD11 ILE 74 1HD1 ILE 74 -7.431 -8.287 2.225 536 HD12 ILE 74 2HD1 ILE 74 -7.583 -6.610 2.751 537 HD13 ILE 74 3HD1 ILE 74 -6.618 -7.005 1.328 538 H TYR 75 H TYR 75 -2.877 -10.586 5.588 539 HA TYR 75 HA TYR 75 -1.276 -12.138 3.752 540 HB2 TYR 75 1HB TYR 75 -0.624 -11.608 6.143 541 HB3 TYR 75 2HB TYR 75 -1.854 -12.762 6.649 542 HD1 TYR 75 1HD TYR 75 -1.644 -15.167 5.768 543 HD2 TYR 75 2HD TYR 75 1.531 -12.338 5.619 544 HE1 TYR 75 1HE TYR 75 -0.026 -17.004 5.527 545 HE2 TYR 75 2HE TYR 75 3.157 -14.168 5.377 546 HH TYR 75 HH TYR 75 2.671 -17.173 6.144 547 H CYS 76 H CYS 76 -2.759 -13.078 2.343 548 HA CYS 76 HA CYS 76 -4.794 -14.845 3.472 549 HB2 CYS 76 1HB CYS 76 -5.518 -13.373 1.674 550 HB3 CYS 76 2HB CYS 76 -4.253 -13.994 0.620 551 HG CYS 76 HG CYS 76 -5.348 -16.558 0.436 552 H GLN 77 H GLN 77 -4.633 -17.004 3.488 553 HA GLN 77 HA GLN 77 -2.207 -18.190 2.348 554 HB2 GLN 77 1HB GLN 77 -4.133 -19.319 4.386 555 HB3 GLN 77 2HB GLN 77 -2.634 -20.073 3.860 556 HG2 GLN 77 1HG GLN 77 -1.316 -18.569 4.998 557 HG3 GLN 77 2HG GLN 77 -2.571 -17.330 5.025 558 HE21 GLN 77 1HE2 GLN 77 -4.359 -17.626 6.467 559 HE22 GLN 77 2HE2 GLN 77 -4.160 -18.544 7.916 560 H VAL 78 H VAL 78 -2.434 -19.071 0.407 561 HA VAL 78 HA VAL 78 -4.785 -19.620 -0.927 562 HB VAL 78 HB VAL 78 -3.443 -21.117 -2.397 563 HG11 VAL 78 1HG1 VAL 78 -3.446 -18.482 -2.336 564 HG12 VAL 78 2HG1 VAL 78 -1.748 -18.719 -1.916 565 HG13 VAL 78 3HG1 VAL 78 -2.383 -19.371 -3.427 566 HG21 VAL 78 1HG2 VAL 78 -1.546 -20.853 -0.134 567 HG22 VAL 78 2HG2 VAL 78 -1.855 -22.224 -1.199 568 HG23 VAL 78 3HG2 VAL 78 -0.870 -20.874 -1.763 569 H GLY 79 H GLY 79 -2.758 -21.883 0.927 570 HA2 GLY 79 1HA GLY 79 -4.541 -23.355 2.238 571 HA3 GLY 79 2HA GLY 79 -4.756 -23.982 0.610 572 H ASP 80 H ASP 80 -4.076 -26.047 1.327 573 HA ASP 80 HA ASP 80 -1.563 -26.506 2.553 574 HB2 ASP 80 1HB ASP 80 -3.105 -28.480 0.866 575 HB3 ASP 80 2HB ASP 80 -1.970 -28.832 2.165 576 H LYS 81 H LYS 81 0.079 -28.014 1.441 577 HA LYS 81 HA LYS 81 1.330 -26.597 -0.624 578 HB2 LYS 81 1HB LYS 81 2.862 -27.875 0.485 579 HB3 LYS 81 2HB LYS 81 1.740 -29.210 0.718 580 HG2 LYS 81 1HG LYS 81 2.130 -30.056 -1.438 581 HG3 LYS 81 2HG LYS 81 2.914 -28.566 -1.968 582 HD2 LYS 81 1HD LYS 81 4.587 -29.131 -0.024 583 HD3 LYS 81 2HD LYS 81 3.970 -30.769 -0.255 584 HE2 LYS 81 1HE LYS 81 4.921 -29.134 -2.580 585 HE3 LYS 81 2HE LYS 81 6.062 -30.024 -1.574 586 HZ1 LYS 81 1HZ LYS 81 4.188 -31.882 -2.085 587 HZ2 LYS 81 2HZ LYS 81 5.619 -31.697 -2.967 588 HZ3 LYS 81 3HZ LYS 81 4.183 -31.004 -3.531 589 HA PRO 82 HA PRO 82 -0.179 -30.050 -3.649 590 HB2 PRO 82 1HB PRO 82 -2.064 -31.774 -2.730 591 HB3 PRO 82 2HB PRO 82 -0.329 -32.072 -2.568 592 HG2 PRO 82 1HG PRO 82 -2.262 -30.998 -0.550 593 HG3 PRO 82 2HG PRO 82 -0.971 -32.194 -0.336 594 HD2 PRO 82 1HD PRO 82 -0.691 -29.602 0.393 595 HD3 PRO 82 2HD PRO 82 0.670 -30.582 -0.189 596 H TYR 83 H TYR 83 -2.198 -28.288 -1.512 597 HA TYR 83 HA TYR 83 -4.582 -28.411 -3.110 598 HB2 TYR 83 1HB TYR 83 -4.902 -28.029 -0.784 599 HB3 TYR 83 2HB TYR 83 -3.747 -26.701 -0.770 600 HD1 TYR 83 2HD TYR 83 -4.362 -24.615 -2.172 601 HD2 TYR 83 1HD TYR 83 -7.177 -27.591 -1.021 602 HE1 TYR 83 2HE TYR 83 -6.193 -23.013 -2.532 603 HE2 TYR 83 1HE TYR 83 -9.016 -25.997 -1.379 604 HH TYR 83 HH TYR 83 -8.676 -22.803 -1.538 605 H TRP 84 H TRP 84 -1.827 -26.267 -2.809 606 HA TRP 84 HA TRP 84 -2.856 -24.076 -4.245 607 HB2 TRP 84 1HB TRP 84 -0.901 -23.650 -3.014 608 HB3 TRP 84 2HB TRP 84 -0.070 -25.055 -3.675 609 HD1 TRP 84 HD TRP 84 1.910 -24.157 -5.025 610 HE1 TRP 84 1HE TRP 84 2.247 -22.334 -6.810 611 HE3 TRP 84 3HE TRP 84 -2.786 -22.134 -5.018 612 HZ2 TRP 84 2HZ TRP 84 0.725 -20.306 -8.051 613 HZ3 TRP 84 3HZ TRP 84 -3.263 -20.255 -6.533 614 HH2 TRP 84 HH TRP 84 -1.542 -19.361 -8.017 615 H LYS 85 H LYS 85 -0.963 -26.890 -5.299 616 HA LYS 85 HA LYS 85 -0.529 -26.278 -7.933 617 HB2 LYS 85 1HB LYS 85 -1.216 -28.927 -6.663 618 HB3 LYS 85 2HB LYS 85 -0.727 -28.775 -8.346 619 HG2 LYS 85 1HG LYS 85 1.426 -27.971 -7.730 620 HG3 LYS 85 2HG LYS 85 0.946 -27.813 -6.039 621 HD2 LYS 85 1HD LYS 85 0.491 -30.344 -6.152 622 HD3 LYS 85 2HD LYS 85 1.457 -30.307 -7.629 623 HE2 LYS 85 1HE LYS 85 3.131 -28.980 -6.072 624 HE3 LYS 85 2HE LYS 85 2.273 -29.853 -4.803 625 HZ1 LYS 85 1HZ LYS 85 2.764 -31.803 -6.577 626 HZ2 LYS 85 2HZ LYS 85 3.754 -31.451 -5.252 627 HZ3 LYS 85 3HZ LYS 85 4.138 -30.835 -6.780 628 H ASP 86 H ASP 86 -3.501 -27.449 -6.451 629 HA ASP 86 HA ASP 86 -5.055 -28.194 -8.532 630 HB2 ASP 86 1HB ASP 86 -6.104 -26.234 -6.496 631 HB3 ASP 86 2HB ASP 86 -6.962 -27.557 -7.281 632 HA PRO 87 HA PRO 87 -4.609 -24.514 -11.122 633 HB2 PRO 87 1HB PRO 87 -5.459 -25.747 -13.386 634 HB3 PRO 87 2HB PRO 87 -3.808 -25.895 -12.775 635 HG2 PRO 87 1HG PRO 87 -6.109 -27.788 -12.491 636 HG3 PRO 87 2HG PRO 87 -4.411 -28.139 -12.860 637 HD2 PRO 87 1HD PRO 87 -5.458 -28.455 -10.383 638 HD3 PRO 87 2HD PRO 87 -3.768 -27.985 -10.652 639 H ASN 88 H ASN 88 -7.317 -26.387 -10.215 640 HA ASN 88 HA ASN 88 -9.198 -24.621 -11.599 641 HB2 ASN 88 1HB ASN 88 -9.838 -27.052 -9.921 642 HB3 ASN 88 2HB ASN 88 -10.905 -26.220 -11.048 643 HD21 ASN 88 1HD2 ASN 88 -9.924 -29.021 -10.897 644 HD22 ASN 88 2HD2 ASN 88 -9.252 -29.343 -12.456 645 H ASN 89 H ASN 89 -7.544 -23.749 -9.327 646 HA ASN 89 HA ASN 89 -9.388 -23.492 -7.108 647 HB2 ASN 89 1HB ASN 89 -6.553 -22.639 -7.610 648 HB3 ASN 89 2HB ASN 89 -7.456 -21.963 -6.258 649 HD21 ASN 89 1HD2 ASN 89 -5.165 -23.430 -5.879 650 HD22 ASN 89 2HD2 ASN 89 -5.563 -24.927 -5.113 651 H ASP 90 H ASP 90 -9.949 -21.383 -6.208 652 HA ASP 90 HA ASP 90 -11.053 -19.668 -8.184 653 HB2 ASP 90 1HB ASP 90 -11.431 -18.185 -6.048 654 HB3 ASP 90 2HB ASP 90 -12.329 -19.686 -6.257 655 H PHE 91 H PHE 91 -8.020 -19.777 -6.598 656 HA PHE 91 HA PHE 91 -7.370 -17.004 -6.823 657 HB2 PHE 91 1HB PHE 91 -5.619 -19.439 -6.436 658 HB3 PHE 91 2HB PHE 91 -5.041 -17.779 -6.356 659 HD1 PHE 91 2HD PHE 91 -5.823 -16.288 -4.541 660 HD2 PHE 91 1HD PHE 91 -6.762 -20.438 -4.621 661 HE1 PHE 91 2HE PHE 91 -6.410 -16.197 -2.154 662 HE2 PHE 91 1HE PHE 91 -7.352 -20.354 -2.234 663 HZ PHE 91 HZ PHE 91 -7.175 -18.232 -0.997 664 H ARG 92 H ARG 92 -6.750 -19.881 -8.777 665 HA ARG 92 HA ARG 92 -5.303 -18.318 -10.759 666 HB2 ARG 92 1HB ARG 92 -6.056 -21.234 -10.928 667 HB3 ARG 92 2HB ARG 92 -4.792 -20.395 -11.817 668 HG2 ARG 92 1HG ARG 92 -3.409 -20.245 -9.931 669 HG3 ARG 92 2HG ARG 92 -4.731 -20.636 -8.829 670 HD2 ARG 92 1HD ARG 92 -4.636 -22.878 -9.293 671 HD3 ARG 92 2HD ARG 92 -3.991 -22.624 -10.915 672 HE ARG 92 HE ARG 92 -2.495 -22.965 -8.497 673 HH11 ARG 92 2HH1 ARG 92 -2.466 -21.537 -11.672 674 HH12 ARG 92 1HH1 ARG 92 -0.738 -21.521 -11.791 675 HH21 ARG 92 2HH2 ARG 92 -0.219 -22.951 -8.643 676 HH22 ARG 92 1HH2 ARG 92 0.539 -22.327 -10.069 677 H GLN 93 H GLN 93 -8.489 -19.123 -10.087 678 HA GLN 93 HA GLN 93 -9.312 -19.032 -12.897 679 HB2 GLN 93 1HB GLN 93 -10.906 -19.642 -10.403 680 HB3 GLN 93 2HB GLN 93 -11.545 -19.666 -12.041 681 HG2 GLN 93 1HG GLN 93 -9.176 -21.348 -11.413 682 HG3 GLN 93 2HG GLN 93 -10.762 -21.864 -10.841 683 HE21 GLN 93 1HE2 GLN 93 -8.621 -21.794 -13.436 684 HE22 GLN 93 2HE2 GLN 93 -9.686 -22.392 -14.658 685 H LYS 94 H LYS 94 -9.815 -17.379 -9.809 686 HA LYS 94 HA LYS 94 -11.283 -15.247 -11.173 687 HB2 LYS 94 1HB LYS 94 -10.756 -15.586 -8.216 688 HB3 LYS 94 2HB LYS 94 -11.879 -14.456 -8.962 689 HG2 LYS 94 1HG LYS 94 -12.229 -17.363 -9.485 690 HG3 LYS 94 2HG LYS 94 -12.709 -16.714 -7.915 691 HD2 LYS 94 1HD LYS 94 -14.251 -15.208 -8.916 692 HD3 LYS 94 2HD LYS 94 -13.620 -15.533 -10.532 693 HE2 LYS 94 1HE LYS 94 -14.769 -17.753 -8.890 694 HE3 LYS 94 2HE LYS 94 -15.838 -16.652 -9.757 695 HZ1 LYS 94 1HZ LYS 94 -15.534 -18.137 -11.400 696 HZ2 LYS 94 2HZ LYS 94 -14.064 -18.706 -10.788 697 HZ3 LYS 94 3HZ LYS 94 -14.109 -17.268 -11.677 698 H LEU 95 H LEU 95 -8.560 -15.588 -8.897 699 HA LEU 95 HA LEU 95 -7.671 -12.891 -9.456 700 HB2 LEU 95 1HB LEU 95 -6.549 -15.087 -7.728 701 HB3 LEU 95 2HB LEU 95 -5.810 -13.496 -7.893 702 HG LEU 95 HG LEU 95 -8.591 -13.966 -6.826 703 HD11 LEU 95 1HD1 LEU 95 -7.573 -14.734 -4.997 704 HD12 LEU 95 2HD1 LEU 95 -7.041 -13.072 -4.745 705 HD13 LEU 95 3HD1 LEU 95 -5.981 -14.223 -5.559 706 HD21 LEU 95 1HD2 LEU 95 -8.169 -11.635 -5.921 707 HD22 LEU 95 2HD2 LEU 95 -8.439 -11.768 -7.659 708 HD23 LEU 95 3HD2 LEU 95 -6.802 -11.559 -7.034 709 H LYS 96 H LYS 96 -7.290 -15.878 -10.900 710 HA LYS 96 HA LYS 96 -5.758 -16.802 -12.332 711 HB2 LYS 96 1HB LYS 96 -5.715 -13.887 -13.120 712 HB3 LYS 96 2HB LYS 96 -4.961 -15.159 -14.072 713 HG2 LYS 96 1HG LYS 96 -7.076 -14.714 -15.039 714 HG3 LYS 96 2HG LYS 96 -7.203 -16.265 -14.206 715 HD2 LYS 96 1HD LYS 96 -8.523 -15.396 -12.516 716 HD3 LYS 96 2HD LYS 96 -7.959 -13.746 -12.784 717 HE2 LYS 96 1HE LYS 96 -9.138 -13.884 -15.037 718 HE3 LYS 96 2HE LYS 96 -9.909 -15.344 -14.421 719 HZ1 LYS 96 1HZ LYS 96 -10.029 -12.981 -12.721 720 HZ2 LYS 96 2HZ LYS 96 -11.193 -14.177 -12.997 721 HZ3 LYS 96 3HZ LYS 96 -10.962 -12.944 -14.132 722 H ILE 97 H ILE 97 -4.585 -16.494 -9.886 723 HA ILE 97 HA ILE 97 -2.250 -14.998 -9.729 724 HB ILE 97 HB ILE 97 -2.759 -17.735 -8.556 725 HG12 ILE 97 1HG1 ILE 97 -4.440 -16.050 -7.912 726 HG13 ILE 97 2HG1 ILE 97 -3.435 -16.520 -6.544 727 HG21 ILE 97 1HG2 ILE 97 -0.659 -15.659 -7.989 728 HG22 ILE 97 2HG2 ILE 97 -1.073 -16.937 -6.847 729 HG23 ILE 97 3HG2 ILE 97 -0.433 -17.350 -8.437 730 HD11 ILE 97 1HD1 ILE 97 -3.545 -14.241 -6.303 731 HD12 ILE 97 2HD1 ILE 97 -2.040 -14.430 -7.204 732 HD13 ILE 97 3HD1 ILE 97 -3.514 -13.947 -8.042 733 H THR 98 H THR 98 -0.001 -15.773 -9.820 734 HA THR 98 HA THR 98 0.400 -17.487 -12.179 735 HB THR 98 HB THR 98 2.425 -15.563 -11.044 736 HG1 THR 98 1HG THR 98 0.235 -15.113 -12.756 737 HG21 THR 98 1HG2 THR 98 3.732 -16.422 -12.629 738 HG22 THR 98 2HG2 THR 98 2.586 -15.870 -13.851 739 HG23 THR 98 3HG2 THR 98 2.428 -17.484 -13.159 740 H ALA 99 H ALA 99 2.274 -16.570 -9.281 741 HA ALA 99 HA ALA 99 2.590 -19.331 -8.511 742 HB1 ALA 99 1HB ALA 99 4.306 -18.924 -10.326 743 HB2 ALA 99 2HB ALA 99 5.100 -17.826 -9.196 744 HB3 ALA 99 3HB ALA 99 4.924 -19.533 -8.790 745 H VAL 100 H VAL 100 2.462 -19.348 -6.373 746 HA VAL 100 HA VAL 100 2.757 -16.949 -4.833 747 HB VAL 100 HB VAL 100 2.189 -18.319 -2.900 748 HG11 VAL 100 1HG1 VAL 100 0.270 -17.620 -4.003 749 HG12 VAL 100 2HG1 VAL 100 0.574 -18.656 -5.399 750 HG13 VAL 100 3HG1 VAL 100 0.035 -19.363 -3.875 751 HG21 VAL 100 1HG2 VAL 100 1.599 -20.825 -4.031 752 HG22 VAL 100 2HG2 VAL 100 3.243 -20.427 -4.531 753 HG23 VAL 100 3HG2 VAL 100 2.822 -20.448 -2.818 754 HA PRO 101 HA PRO 101 3.072 -16.556 -2.569 755 HB2 PRO 101 1HB PRO 101 4.645 -14.496 -1.761 756 HB3 PRO 101 2HB PRO 101 4.520 -16.016 -0.868 757 HG2 PRO 101 1HG PRO 101 6.637 -15.112 -2.782 758 HG3 PRO 101 2HG PRO 101 6.817 -15.944 -1.226 759 HD2 PRO 101 1HD PRO 101 6.980 -17.240 -3.598 760 HD3 PRO 101 2HD PRO 101 6.339 -18.009 -2.133 761 H THR 102 H THR 102 1.775 -15.135 -3.556 762 HA THR 102 HA THR 102 2.911 -13.488 -5.720 763 HB THR 102 HB THR 102 0.071 -14.497 -5.460 764 HG1 THR 102 1HG THR 102 2.291 -15.677 -6.406 765 HG21 THR 102 1HG2 THR 102 0.056 -13.732 -7.919 766 HG22 THR 102 2HG2 THR 102 1.473 -12.776 -7.483 767 HG23 THR 102 3HG2 THR 102 -0.065 -12.496 -6.667 768 H LEU 103 H LEU 103 3.152 -11.457 -5.049 769 HA LEU 103 HA LEU 103 1.265 -10.325 -3.126 770 HB2 LEU 103 1HB LEU 103 3.670 -10.083 -2.706 771 HB3 LEU 103 2HB LEU 103 3.842 -9.211 -4.228 772 HG LEU 103 HG LEU 103 2.275 -7.475 -3.262 773 HD11 LEU 103 1HD1 LEU 103 2.418 -7.491 -0.679 774 HD12 LEU 103 2HD1 LEU 103 2.679 -9.224 -0.870 775 HD13 LEU 103 3HD1 LEU 103 1.199 -8.484 -1.478 776 HD21 LEU 103 1HD2 LEU 103 4.893 -7.902 -1.826 777 HD22 LEU 103 2HD2 LEU 103 4.037 -6.372 -2.025 778 HD23 LEU 103 3HD2 LEU 103 4.718 -7.192 -3.431 779 H LEU 104 H LEU 104 -0.550 -9.756 -4.223 780 HA LEU 104 HA LEU 104 -0.269 -8.131 -6.646 781 HB2 LEU 104 1HB LEU 104 -1.778 -9.819 -7.096 782 HB3 LEU 104 2HB LEU 104 -2.464 -9.778 -5.473 783 HG LEU 104 HG LEU 104 -3.525 -7.585 -6.081 784 HD11 LEU 104 1HD1 LEU 104 -3.324 -8.175 -8.944 785 HD12 LEU 104 2HD1 LEU 104 -1.828 -7.609 -8.203 786 HD13 LEU 104 3HD1 LEU 104 -3.291 -6.630 -8.095 787 HD21 LEU 104 1HD2 LEU 104 -5.394 -8.606 -6.986 788 HD22 LEU 104 2HD2 LEU 104 -4.553 -9.960 -6.231 789 HD23 LEU 104 3HD2 LEU 104 -4.441 -9.712 -7.974 790 H LYS 105 H LYS 105 -0.734 -6.019 -6.683 791 HA LYS 105 HA LYS 105 -1.568 -4.760 -4.182 792 HB2 LYS 105 1HB LYS 105 0.466 -3.985 -5.466 793 HB3 LYS 105 2HB LYS 105 -0.631 -3.408 -6.714 794 HG2 LYS 105 1HG LYS 105 -1.631 -1.845 -5.196 795 HG3 LYS 105 2HG LYS 105 -0.708 -2.505 -3.843 796 HD2 LYS 105 1HD LYS 105 1.327 -1.662 -4.693 797 HD3 LYS 105 2HD LYS 105 0.616 -1.327 -6.274 798 HE2 LYS 105 1HE LYS 105 -0.185 0.051 -3.714 799 HE3 LYS 105 2HE LYS 105 0.977 0.699 -4.871 800 HZ1 LYS 105 1HZ LYS 105 -1.492 -0.079 -6.097 801 HZ2 LYS 105 2HZ LYS 105 -0.650 1.384 -6.202 802 HZ3 LYS 105 3HZ LYS 105 -1.710 1.110 -4.913 803 H TYR 106 H TYR 106 -3.769 -5.047 -4.102 804 HA TYR 106 HA TYR 106 -5.625 -4.930 -6.108 805 HB2 TYR 106 1HB TYR 106 -5.852 -5.291 -3.500 806 HB3 TYR 106 2HB TYR 106 -6.296 -3.588 -3.523 807 HD1 TYR 106 2HD TYR 106 -7.069 -6.387 -5.874 808 HD2 TYR 106 1HD TYR 106 -8.583 -3.440 -3.204 809 HE1 TYR 106 2HE TYR 106 -9.365 -7.001 -6.508 810 HE2 TYR 106 1HE TYR 106 -10.883 -4.046 -3.829 811 HH TYR 106 HH TYR 106 -12.158 -5.237 -5.230 812 H GLY 107 H GLY 107 -5.927 -3.447 -7.629 813 HA2 GLY 107 1HA GLY 107 -6.936 -1.187 -7.940 814 HA3 GLY 107 2HA GLY 107 -5.674 -0.603 -6.866 815 H THR 108 H THR 108 -3.607 -2.296 -8.019 816 HA THR 108 HA THR 108 -3.355 -1.105 -10.699 817 HB THR 108 HB THR 108 -0.988 -0.639 -10.290 818 HG1 THR 108 1HG THR 108 -0.358 -0.737 -7.964 819 HG21 THR 108 1HG2 THR 108 -3.048 0.584 -8.496 820 HG22 THR 108 2HG2 THR 108 -2.235 1.274 -9.900 821 HG23 THR 108 3HG2 THR 108 -1.364 1.094 -8.378 822 HA PRO 109 HA PRO 109 -2.197 -5.131 -12.033 823 HB2 PRO 109 1HB PRO 109 -0.677 -4.495 -14.190 824 HB3 PRO 109 2HB PRO 109 -2.438 -4.340 -14.176 825 HG2 PRO 109 1HG PRO 109 -0.348 -2.235 -13.774 826 HG3 PRO 109 2HG PRO 109 -1.843 -2.159 -14.724 827 HD2 PRO 109 1HD PRO 109 -1.632 -1.078 -12.250 828 HD3 PRO 109 2HD PRO 109 -3.150 -1.760 -12.867 829 H GLN 110 H GLN 110 -0.110 -3.059 -10.539 830 HA GLN 110 HA GLN 110 2.383 -4.353 -11.117 831 HB2 GLN 110 1HB GLN 110 1.461 -2.220 -9.250 832 HB3 GLN 110 2HB GLN 110 2.977 -3.036 -8.890 833 HG2 GLN 110 1HG GLN 110 3.451 -2.488 -11.433 834 HG3 GLN 110 2HG GLN 110 2.283 -1.207 -11.116 835 HE21 GLN 110 1HE2 GLN 110 2.757 -0.183 -8.821 836 HE22 GLN 110 2HE2 GLN 110 4.392 0.335 -8.615 837 H LYS 111 H LYS 111 2.688 -6.398 -10.518 838 HA LYS 111 HA LYS 111 2.050 -7.132 -7.741 839 HB2 LYS 111 1HB LYS 111 1.525 -9.439 -8.590 840 HB3 LYS 111 2HB LYS 111 0.362 -8.201 -9.048 841 HG2 LYS 111 1HG LYS 111 0.609 -9.330 -11.023 842 HG3 LYS 111 2HG LYS 111 1.812 -8.053 -11.215 843 HD2 LYS 111 1HD LYS 111 3.581 -9.491 -10.934 844 HD3 LYS 111 2HD LYS 111 2.642 -10.626 -9.963 845 HE2 LYS 111 1HE LYS 111 1.768 -11.680 -11.793 846 HE3 LYS 111 2HE LYS 111 1.857 -10.236 -12.802 847 HZ1 LYS 111 1HZ LYS 111 4.270 -10.528 -12.903 848 HZ2 LYS 111 2HZ LYS 111 3.453 -11.868 -13.533 849 HZ3 LYS 111 3HZ LYS 111 4.145 -11.948 -11.991 850 H LEU 112 H LEU 112 3.386 -8.803 -6.839 851 HA LEU 112 HA LEU 112 5.962 -9.118 -8.236 852 HB2 LEU 112 1HB LEU 112 5.523 -8.895 -5.262 853 HB3 LEU 112 2HB LEU 112 7.075 -9.069 -6.080 854 HG LEU 112 HG LEU 112 5.246 -6.684 -6.349 855 HD11 LEU 112 1HD1 LEU 112 7.094 -7.422 -4.274 856 HD12 LEU 112 2HD1 LEU 112 6.030 -6.020 -4.383 857 HD13 LEU 112 3HD1 LEU 112 7.640 -5.963 -5.101 858 HD21 LEU 112 1HD2 LEU 112 6.684 -5.837 -7.849 859 HD22 LEU 112 2HD2 LEU 112 7.155 -7.520 -8.090 860 HD23 LEU 112 3HD2 LEU 112 8.097 -6.485 -7.015 861 H VAL 113 H VAL 113 6.648 -11.139 -8.536 862 HA VAL 113 HA VAL 113 5.081 -13.321 -7.397 863 HB VAL 113 HB VAL 113 7.328 -13.862 -9.266 864 HG11 VAL 113 1HG1 VAL 113 6.253 -15.819 -8.939 865 HG12 VAL 113 2HG1 VAL 113 4.735 -15.035 -8.497 866 HG13 VAL 113 3HG1 VAL 113 5.183 -15.198 -10.196 867 HG21 VAL 113 1HG2 VAL 113 4.788 -12.452 -10.058 868 HG22 VAL 113 2HG2 VAL 113 6.447 -11.917 -10.325 869 HG23 VAL 113 3HG2 VAL 113 5.821 -13.316 -11.197 870 H GLU 114 H GLU 114 6.492 -15.386 -6.988 871 HA GLU 114 HA GLU 114 7.731 -15.324 -4.642 872 HB2 GLU 114 1HB GLU 114 9.000 -16.914 -6.862 873 HB3 GLU 114 2HB GLU 114 8.863 -17.337 -5.161 874 HG2 GLU 114 1HG GLU 114 6.337 -17.347 -5.560 875 HG3 GLU 114 2HG GLU 114 6.743 -17.366 -7.275 876 H SER 115 H SER 115 9.646 -15.053 -7.642 877 HA SER 115 HA SER 115 12.070 -14.402 -6.464 878 HB2 SER 115 1HB SER 115 12.094 -14.959 -8.767 879 HB3 SER 115 2HB SER 115 10.910 -13.714 -9.162 880 HG SER 115 HG SER 115 12.457 -12.153 -8.800 881 H GLU 116 H GLU 116 9.535 -12.212 -7.660 882 HA GLU 116 HA GLU 116 10.914 -9.860 -6.777 883 HB2 GLU 116 1HB GLU 116 8.027 -10.205 -7.606 884 HB3 GLU 116 2HB GLU 116 8.870 -8.673 -7.422 885 HG2 GLU 116 1HG GLU 116 10.468 -9.483 -9.200 886 HG3 GLU 116 2HG GLU 116 9.336 -10.804 -9.484 887 H CYS 117 H CYS 117 9.332 -12.235 -5.123 888 HA CYS 117 HA CYS 117 8.196 -10.455 -3.100 889 HB2 CYS 117 1HB CYS 117 8.004 -13.425 -3.577 890 HB3 CYS 117 2HB CYS 117 7.445 -12.684 -2.082 891 HG CYS 117 HG CYS 117 6.258 -11.850 -5.181 892 H CYS 118 H CYS 118 11.069 -12.044 -3.772 893 HA CYS 118 HA CYS 118 11.796 -12.245 -0.931 894 HB2 CYS 118 1HB CYS 118 12.230 -14.308 -2.018 895 HB3 CYS 118 2HB CYS 118 12.947 -13.510 -3.413 896 HG CYS 118 HG CYS 118 14.474 -13.096 -0.421 897 H GLN 119 H GLN 119 12.171 -10.306 -3.666 898 HA GLN 119 HA GLN 119 14.742 -9.218 -2.804 899 HB2 GLN 119 1HB GLN 119 13.074 -8.957 -5.277 900 HB3 GLN 119 2HB GLN 119 14.276 -7.727 -4.909 901 HG2 GLN 119 1HG GLN 119 14.840 -9.817 -6.405 902 HG3 GLN 119 2HG GLN 119 16.026 -9.113 -5.307 903 HE21 GLN 119 1HE2 GLN 119 14.072 -11.840 -6.034 904 HE22 GLN 119 2HE2 GLN 119 14.658 -12.874 -4.780 905 H SER 120 H SER 120 14.864 -7.502 -1.529 906 HA SER 120 HA SER 120 12.518 -6.104 -0.689 907 HB2 SER 120 1HB SER 120 13.836 -5.195 0.963 908 HB3 SER 120 2HB SER 120 14.821 -6.599 0.553 909 HG SER 120 HG SER 120 16.237 -5.334 -0.470 910 H SER 121 H SER 121 15.152 -5.446 -2.907 911 HA SER 121 HA SER 121 14.866 -2.714 -3.270 912 HB2 SER 121 1HB SER 121 15.877 -4.958 -4.940 913 HB3 SER 121 2HB SER 121 15.535 -3.438 -5.766 914 HG SER 121 HG SER 121 17.268 -2.634 -4.909 915 H LEU 122 H LEU 122 12.869 -5.332 -4.402 916 HA LEU 122 HA LEU 122 11.338 -3.564 -6.145 917 HB2 LEU 122 1HB LEU 122 11.186 -6.519 -5.596 918 HB3 LEU 122 2HB LEU 122 10.046 -5.664 -6.633 919 HG LEU 122 HG LEU 122 13.010 -5.717 -7.159 920 HD11 LEU 122 1HD1 LEU 122 11.052 -7.444 -8.612 921 HD12 LEU 122 2HD1 LEU 122 11.778 -8.001 -7.105 922 HD13 LEU 122 3HD1 LEU 122 12.804 -7.598 -8.481 923 HD21 LEU 122 1HD2 LEU 122 10.664 -5.160 -8.969 924 HD22 LEU 122 2HD2 LEU 122 12.374 -5.033 -9.380 925 HD23 LEU 122 3HD2 LEU 122 11.664 -3.923 -8.207 926 H VAL 123 H VAL 123 11.054 -5.306 -3.111 927 HA VAL 123 HA VAL 123 8.298 -5.009 -2.692 928 HB VAL 123 HB VAL 123 10.551 -5.181 -0.690 929 HG11 VAL 123 1HG1 VAL 123 8.460 -4.111 0.200 930 HG12 VAL 123 2HG1 VAL 123 7.621 -5.623 -0.153 931 HG13 VAL 123 3HG1 VAL 123 8.945 -5.599 1.013 932 HG21 VAL 123 1HG2 VAL 123 9.384 -7.085 -2.415 933 HG22 VAL 123 2HG2 VAL 123 10.563 -7.357 -1.133 934 HG23 VAL 123 3HG2 VAL 123 8.839 -7.463 -0.781 935 H GLU 124 H GLU 124 11.000 -2.992 -1.532 936 HA GLU 124 HA GLU 124 9.390 -1.039 -0.298 937 HB2 GLU 124 1HB GLU 124 11.384 0.323 -0.208 938 HB3 GLU 124 2HB GLU 124 11.810 -1.345 0.148 939 HG2 GLU 124 1HG GLU 124 12.737 -1.648 -2.030 940 HG3 GLU 124 2HG GLU 124 12.134 -0.078 -2.559 941 H MET 125 H MET 125 9.939 -1.717 -3.569 942 HA MET 125 HA MET 125 9.509 0.985 -4.516 943 HB2 MET 125 1HB MET 125 10.938 -0.835 -5.652 944 HB3 MET 125 2HB MET 125 9.409 -1.497 -6.212 945 HG2 MET 125 1HG MET 125 9.003 0.941 -7.056 946 HG3 MET 125 2HG MET 125 10.759 1.049 -6.954 947 HE1 MET 125 1HE MET 125 7.726 -0.779 -8.359 948 HE2 MET 125 2HE MET 125 8.352 -1.749 -9.692 949 HE3 MET 125 3HE MET 125 8.637 -2.252 -8.025 950 H ILE 126 H ILE 126 7.778 -2.110 -4.935 951 HA ILE 126 HA ILE 126 5.483 -1.181 -6.115 952 HB ILE 126 HB ILE 126 6.002 -3.576 -5.708 953 HG12 ILE 126 1HG1 ILE 126 3.296 -3.134 -4.529 954 HG13 ILE 126 2HG1 ILE 126 3.623 -2.471 -6.126 955 HG21 ILE 126 1HG2 ILE 126 6.636 -3.947 -3.565 956 HG22 ILE 126 2HG2 ILE 126 5.546 -2.724 -2.915 957 HG23 ILE 126 3HG2 ILE 126 4.920 -4.306 -3.377 958 HD11 ILE 126 1HD1 ILE 126 2.645 -4.581 -6.467 959 HD12 ILE 126 2HD1 ILE 126 4.367 -4.787 -6.791 960 HD13 ILE 126 3HD1 ILE 126 3.684 -5.343 -5.263 961 H PHE 127 H PHE 127 6.507 -0.790 -2.829 962 HA PHE 127 HA PHE 127 3.880 0.058 -1.923 963 HB2 PHE 127 1HB PHE 127 6.557 -0.157 -0.543 964 HB3 PHE 127 2HB PHE 127 5.123 0.497 0.242 965 HD1 PHE 127 2HD PHE 127 3.010 -1.276 -0.664 966 HD2 PHE 127 1HD PHE 127 7.012 -2.173 0.477 967 HE1 PHE 127 2HE PHE 127 2.318 -3.552 -0.035 968 HE2 PHE 127 1HE PHE 127 6.326 -4.450 1.106 969 HZ PHE 127 HZ PHE 127 3.976 -5.142 0.851 970 H SER 128 H SER 128 7.018 1.457 -2.697 971 HA SER 128 HA SER 128 6.463 4.076 -1.794 972 HB2 SER 128 1HB SER 128 8.487 2.861 -3.636 973 HB3 SER 128 2HB SER 128 8.322 4.616 -3.579 974 HG SER 128 HG SER 128 8.564 4.361 -1.233 975 H GLU 129 H GLU 129 6.322 2.626 -5.041 976 HA GLU 129 HA GLU 129 5.413 4.907 -6.390 977 HB2 GLU 129 1HB GLU 129 4.999 1.979 -7.010 978 HB3 GLU 129 2HB GLU 129 4.596 3.285 -8.115 979 HG2 GLU 129 1HG GLU 129 7.356 3.164 -7.028 980 HG3 GLU 129 2HG GLU 129 6.886 2.001 -8.266 981 H ASP 130 H ASP 130 3.345 5.534 -7.080 982 HA ASP 130 HA ASP 130 1.283 5.143 -5.140 983 HB2 ASP 130 1HB ASP 130 1.126 7.265 -5.990 984 HB3 ASP 130 2HB ASP 130 1.631 6.772 -7.604 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -2.460 17.363 18.816 2 HA2 GLY 1 1HA GLY 1 -4.222 17.161 17.007 3 HA3 GLY 1 2HA GLY 1 -2.948 15.953 16.914 4 H SER 2 H SER 2 -6.279 16.565 17.691 5 HA SER 2 HA SER 2 -7.186 14.348 18.930 6 HB2 SER 2 1HB SER 2 -8.372 15.846 16.599 7 HB3 SER 2 2HB SER 2 -9.230 14.515 17.375 8 HG SER 2 HG SER 2 -8.613 15.866 19.384 9 H GLU 3 H GLU 3 -6.574 14.560 15.428 10 HA GLU 3 HA GLU 3 -6.130 11.662 15.405 11 HB2 GLU 3 1HB GLU 3 -7.492 11.302 13.498 12 HB3 GLU 3 2HB GLU 3 -8.469 12.231 14.626 13 HG2 GLU 3 1HG GLU 3 -7.934 14.277 13.372 14 HG3 GLU 3 2HG GLU 3 -7.023 13.306 12.216 15 H GLY 4 H GLY 4 -4.619 10.939 13.918 16 HA2 GLY 4 1HA GLY 4 -2.977 11.076 12.287 17 HA3 GLY 4 2HA GLY 4 -3.512 12.712 11.933 18 H ALA 5 H ALA 5 -2.265 11.197 14.904 19 HA ALA 5 HA ALA 5 -0.484 13.467 15.279 20 HB1 ALA 5 1HB ALA 5 -1.781 12.688 17.186 21 HB2 ALA 5 2HB ALA 5 -1.034 11.095 17.060 22 HB3 ALA 5 3HB ALA 5 -0.053 12.497 17.486 23 H ALA 6 H ALA 6 0.226 11.954 13.072 24 HA ALA 6 HA ALA 6 2.919 11.217 13.785 25 HB1 ALA 6 1HB ALA 6 1.603 9.058 12.261 26 HB2 ALA 6 2HB ALA 6 2.878 8.979 13.478 27 HB3 ALA 6 3HB ALA 6 1.196 9.168 13.974 28 H THR 7 H THR 7 4.313 11.531 12.124 29 HA THR 7 HA THR 7 3.159 12.502 9.615 30 HB THR 7 HB THR 7 6.053 12.690 10.446 31 HG1 THR 7 1HG THR 7 5.495 14.222 11.786 32 HG21 THR 7 1HG2 THR 7 4.346 13.895 8.313 33 HG22 THR 7 2HG2 THR 7 5.986 13.254 8.213 34 HG23 THR 7 3HG2 THR 7 5.698 14.826 8.957 35 H MET 8 H MET 8 3.061 9.740 9.946 36 HA MET 8 HA MET 8 4.732 8.904 7.713 37 HB2 MET 8 1HB MET 8 5.598 6.952 8.803 38 HB3 MET 8 2HB MET 8 5.991 8.346 9.800 39 HG2 MET 8 1HG MET 8 3.926 7.786 11.152 40 HG3 MET 8 2HG MET 8 3.891 6.257 10.276 41 HE1 MET 8 1HE MET 8 4.011 5.121 12.878 42 HE2 MET 8 2HE MET 8 5.261 5.637 14.009 43 HE3 MET 8 3HE MET 8 4.059 6.794 13.436 44 H ALA 9 H ALA 9 3.979 6.971 6.674 45 HA ALA 9 HA ALA 9 1.190 6.805 6.459 46 HB1 ALA 9 1HB ALA 9 1.706 5.670 4.623 47 HB2 ALA 9 2HB ALA 9 3.404 5.764 5.093 48 HB3 ALA 9 3HB ALA 9 2.432 4.373 5.574 49 H THR 10 H THR 10 0.106 4.509 6.583 50 HA THR 10 HA THR 10 0.805 3.211 9.123 51 HB THR 10 HB THR 10 -1.644 3.070 9.667 52 HG1 THR 10 1HG THR 10 -2.819 4.924 8.571 53 HG21 THR 10 1HG2 THR 10 -1.748 5.225 10.689 54 HG22 THR 10 2HG2 THR 10 -0.643 5.909 9.497 55 HG23 THR 10 3HG2 THR 10 -0.054 4.738 10.676 56 H PHE 11 H PHE 11 0.891 1.073 8.936 57 HA PHE 11 HA PHE 11 -0.554 -0.192 6.701 58 HB2 PHE 11 1HB PHE 11 1.235 -1.584 6.272 59 HB3 PHE 11 2HB PHE 11 2.080 -0.138 6.814 60 HD1 PHE 11 1HD PHE 11 0.643 -3.298 8.169 61 HD2 PHE 11 2HD PHE 11 3.698 -0.346 8.435 62 HE1 PHE 11 1HE PHE 11 1.758 -4.616 9.922 63 HE2 PHE 11 2HE PHE 11 4.818 -1.660 10.188 64 HZ PHE 11 HZ PHE 11 3.850 -3.798 10.933 65 H GLU 12 H GLU 12 -1.897 -1.844 7.138 66 HA GLU 12 HA GLU 12 -1.927 -2.882 9.896 67 HB2 GLU 12 1HB GLU 12 -3.853 -1.407 9.409 68 HB3 GLU 12 2HB GLU 12 -4.303 -2.459 8.075 69 HG2 GLU 12 1HG GLU 12 -5.690 -2.958 9.953 70 HG3 GLU 12 2HG GLU 12 -4.593 -4.311 9.685 71 H GLU 13 H GLU 13 -1.715 -5.013 10.111 72 HA GLU 13 HA GLU 13 -1.657 -6.658 7.707 73 HB2 GLU 13 1HB GLU 13 0.126 -6.651 9.584 74 HB3 GLU 13 2HB GLU 13 -1.030 -7.624 10.482 75 HG2 GLU 13 1HG GLU 13 -0.053 -8.362 7.740 76 HG3 GLU 13 2HG GLU 13 0.739 -8.889 9.225 77 H VAL 14 H VAL 14 -3.175 -8.098 7.172 78 HA VAL 14 HA VAL 14 -5.186 -8.833 9.194 79 HB VAL 14 HB VAL 14 -5.729 -8.147 6.302 80 HG11 VAL 14 1HG1 VAL 14 -7.994 -8.550 8.113 81 HG12 VAL 14 2HG1 VAL 14 -7.755 -9.095 6.451 82 HG13 VAL 14 3HG1 VAL 14 -7.058 -10.009 7.790 83 HG21 VAL 14 1HG2 VAL 14 -5.636 -6.545 8.649 84 HG22 VAL 14 2HG2 VAL 14 -6.083 -6.072 7.010 85 HG23 VAL 14 3HG2 VAL 14 -7.315 -6.664 8.124 86 H SER 15 H SER 15 -4.749 -10.916 9.587 87 HA SER 15 HA SER 15 -3.827 -12.690 7.503 88 HB2 SER 15 1HB SER 15 -2.863 -13.015 9.674 89 HB3 SER 15 2HB SER 15 -4.453 -13.117 10.430 90 HG SER 15 HG SER 15 -3.638 -14.940 8.432 91 H VAL 16 H VAL 16 -5.128 -13.734 6.165 92 HA VAL 16 HA VAL 16 -7.751 -14.633 7.132 93 HB VAL 16 HB VAL 16 -8.737 -14.065 4.913 94 HG11 VAL 16 1HG1 VAL 16 -8.919 -11.621 5.365 95 HG12 VAL 16 2HG1 VAL 16 -9.207 -12.636 6.780 96 HG13 VAL 16 3HG1 VAL 16 -7.664 -11.802 6.590 97 HG21 VAL 16 1HG2 VAL 16 -6.006 -13.380 4.349 98 HG22 VAL 16 2HG2 VAL 16 -7.377 -13.500 3.246 99 HG23 VAL 16 3HG2 VAL 16 -7.050 -11.983 4.084 100 H LEU 17 H LEU 17 -8.618 -16.453 6.019 101 HA LEU 17 HA LEU 17 -6.699 -17.898 4.320 102 HB2 LEU 17 1HB LEU 17 -6.870 -18.638 6.793 103 HB3 LEU 17 2HB LEU 17 -8.424 -19.320 6.314 104 HG LEU 17 HG LEU 17 -5.962 -20.059 4.791 105 HD11 LEU 17 1HD1 LEU 17 -6.163 -22.091 6.561 106 HD12 LEU 17 2HD1 LEU 17 -6.541 -20.715 7.597 107 HD13 LEU 17 3HD1 LEU 17 -5.019 -20.757 6.708 108 HD21 LEU 17 1HD2 LEU 17 -7.889 -20.909 3.804 109 HD22 LEU 17 2HD2 LEU 17 -8.651 -21.256 5.356 110 HD23 LEU 17 3HD2 LEU 17 -7.310 -22.253 4.789 111 H GLY 18 H GLY 18 -7.629 -18.047 2.385 112 HA2 GLY 18 1HA GLY 18 -9.235 -19.298 1.060 113 HA3 GLY 18 2HA GLY 18 -10.444 -18.927 2.281 114 H PHE 19 H PHE 19 -11.131 -18.443 -0.253 115 HA PHE 19 HA PHE 19 -10.473 -15.786 -1.102 116 HB2 PHE 19 1HB PHE 19 -11.172 -17.698 -2.616 117 HB3 PHE 19 2HB PHE 19 -12.814 -17.452 -2.031 118 HD1 PHE 19 2HD PHE 19 -13.848 -15.142 -2.354 119 HD2 PHE 19 1HD PHE 19 -10.344 -16.446 -4.388 120 HE1 PHE 19 2HE PHE 19 -14.195 -13.402 -4.058 121 HE2 PHE 19 1HE PHE 19 -10.685 -14.707 -6.096 122 HZ PHE 19 HZ PHE 19 -12.612 -13.183 -5.933 123 H GLU 20 H GLU 20 -13.402 -17.299 0.246 124 HA GLU 20 HA GLU 20 -15.116 -15.187 0.329 125 HB2 GLU 20 1HB GLU 20 -14.661 -17.493 2.169 126 HB3 GLU 20 2HB GLU 20 -15.774 -16.229 2.673 127 HG2 GLU 20 1HG GLU 20 -15.973 -17.782 0.104 128 HG3 GLU 20 2HG GLU 20 -16.897 -18.112 1.568 129 H GLU 21 H GLU 21 -13.020 -16.032 3.093 130 HA GLU 21 HA GLU 21 -13.445 -13.698 4.545 131 HB2 GLU 21 1HB GLU 21 -11.014 -15.493 4.478 132 HB3 GLU 21 2HB GLU 21 -11.298 -14.250 5.689 133 HG2 GLU 21 1HG GLU 21 -13.089 -16.615 5.189 134 HG3 GLU 21 2HG GLU 21 -11.884 -16.503 6.470 135 H PHE 22 H PHE 22 -10.803 -14.466 2.289 136 HA PHE 22 HA PHE 22 -9.266 -12.228 2.457 137 HB2 PHE 22 1HB PHE 22 -8.470 -13.821 0.962 138 HB3 PHE 22 2HB PHE 22 -10.017 -13.964 0.134 139 HD1 PHE 22 2HD PHE 22 -7.962 -10.960 0.909 140 HD2 PHE 22 1HD PHE 22 -9.609 -13.493 -2.089 141 HE1 PHE 22 2HE PHE 22 -7.168 -9.412 -0.831 142 HE2 PHE 22 1HE PHE 22 -8.816 -11.950 -3.833 143 HZ PHE 22 HZ PHE 22 -7.595 -9.905 -3.205 144 H ASP 23 H ASP 23 -12.055 -12.575 0.263 145 HA ASP 23 HA ASP 23 -12.068 -9.975 -0.725 146 HB2 ASP 23 1HB ASP 23 -14.082 -12.150 -0.495 147 HB3 ASP 23 2HB ASP 23 -14.685 -10.531 -0.839 148 H LYS 24 H LYS 24 -13.852 -11.316 2.045 149 HA LYS 24 HA LYS 24 -15.307 -9.141 2.836 150 HB2 LYS 24 1HB LYS 24 -15.328 -11.388 3.919 151 HB3 LYS 24 2HB LYS 24 -13.810 -10.982 4.710 152 HG2 LYS 24 1HG LYS 24 -15.504 -10.607 6.299 153 HG3 LYS 24 2HG LYS 24 -15.008 -9.011 5.730 154 HD2 LYS 24 1HD LYS 24 -17.279 -8.773 5.619 155 HD3 LYS 24 2HD LYS 24 -16.969 -9.410 4.002 156 HE2 LYS 24 1HE LYS 24 -17.394 -11.707 4.972 157 HE3 LYS 24 2HE LYS 24 -17.982 -10.890 6.419 158 HZ1 LYS 24 1HZ LYS 24 -19.386 -11.443 4.083 159 HZ2 LYS 24 2HZ LYS 24 -19.209 -9.762 4.153 160 HZ3 LYS 24 3HZ LYS 24 -19.929 -10.591 5.440 161 H ALA 25 H ALA 25 -11.926 -9.834 3.686 162 HA ALA 25 HA ALA 25 -11.530 -7.523 5.257 163 HB1 ALA 25 1HB ALA 25 -9.205 -8.619 3.804 164 HB2 ALA 25 2HB ALA 25 -9.411 -8.264 5.520 165 HB3 ALA 25 3HB ALA 25 -10.086 -9.744 4.838 166 H VAL 26 H VAL 26 -11.239 -8.144 1.814 167 HA VAL 26 HA VAL 26 -9.842 -5.797 1.110 168 HB VAL 26 HB VAL 26 -11.688 -7.576 -0.473 169 HG11 VAL 26 1HG1 VAL 26 -11.003 -6.412 -2.477 170 HG12 VAL 26 2HG1 VAL 26 -11.760 -5.273 -1.362 171 HG13 VAL 26 3HG1 VAL 26 -10.005 -5.309 -1.531 172 HG21 VAL 26 1HG2 VAL 26 -9.207 -8.096 0.393 173 HG22 VAL 26 2HG2 VAL 26 -9.838 -8.702 -1.138 174 HG23 VAL 26 3HG2 VAL 26 -8.819 -7.262 -1.112 175 H LYS 27 H LYS 27 -13.294 -6.512 0.556 176 HA LYS 27 HA LYS 27 -14.124 -3.984 -0.139 177 HB2 LYS 27 1HB LYS 27 -15.486 -6.302 1.167 178 HB3 LYS 27 2HB LYS 27 -16.345 -4.771 1.053 179 HG2 LYS 27 1HG LYS 27 -15.124 -6.166 -1.314 180 HG3 LYS 27 2HG LYS 27 -16.796 -6.393 -0.796 181 HD2 LYS 27 1HD LYS 27 -16.950 -3.820 -0.933 182 HD3 LYS 27 2HD LYS 27 -15.475 -3.934 -1.896 183 HE2 LYS 27 1HE LYS 27 -16.628 -5.469 -3.436 184 HE3 LYS 27 2HE LYS 27 -18.103 -5.296 -2.485 185 HZ1 LYS 27 1HZ LYS 27 -18.421 -3.767 -4.147 186 HZ2 LYS 27 2HZ LYS 27 -16.788 -3.338 -4.239 187 HZ3 LYS 27 3HZ LYS 27 -17.734 -2.788 -2.950 188 H GLU 28 H GLU 28 -13.144 -5.125 2.955 189 HA GLU 28 HA GLU 28 -14.492 -3.164 4.528 190 HB2 GLU 28 1HB GLU 28 -12.346 -5.177 4.995 191 HB3 GLU 28 2HB GLU 28 -12.499 -3.858 6.148 192 HG2 GLU 28 1HG GLU 28 -14.645 -5.828 5.394 193 HG3 GLU 28 2HG GLU 28 -13.733 -5.791 6.902 194 H HIS 29 H HIS 29 -11.221 -3.441 3.192 195 HA HIS 29 HA HIS 29 -10.695 -0.667 4.007 196 HB2 HIS 29 1HB HIS 29 -8.624 -2.555 2.916 197 HB3 HIS 29 2HB HIS 29 -8.393 -1.137 3.935 198 HD1 HIS 29 1HD HIS 29 -9.596 -1.488 6.442 199 HD2 HIS 29 2HD HIS 29 -8.437 -4.857 4.306 200 HE1 HIS 29 1HE HIS 29 -9.432 -3.336 8.139 201 HE2 HIS 29 2HE HIS 29 -8.646 -5.344 6.838 202 H GLU 30 H GLU 30 -12.363 -1.445 1.723 203 HA GLU 30 HA GLU 30 -10.953 -1.140 -0.702 204 HB2 GLU 30 1HB GLU 30 -13.056 -0.966 -1.749 205 HB3 GLU 30 2HB GLU 30 -13.322 -2.019 -0.367 206 HG2 GLU 30 1HG GLU 30 -14.133 0.001 0.884 207 HG3 GLU 30 2HG GLU 30 -14.080 0.874 -0.646 208 H SER 31 H SER 31 -11.912 1.106 1.706 209 HA SER 31 HA SER 31 -12.003 3.430 0.046 210 HB2 SER 31 1HB SER 31 -13.149 3.308 2.239 211 HB3 SER 31 2HB SER 31 -11.579 3.236 3.038 212 HG SER 31 HG SER 31 -12.474 5.360 1.380 213 H LYS 32 H LYS 32 -9.501 1.633 1.616 214 HA LYS 32 HA LYS 32 -7.542 3.670 0.778 215 HB2 LYS 32 1HB LYS 32 -6.095 2.878 2.632 216 HB3 LYS 32 2HB LYS 32 -7.598 3.599 3.192 217 HG2 LYS 32 1HG LYS 32 -7.535 0.659 2.805 218 HG3 LYS 32 2HG LYS 32 -6.670 1.335 4.186 219 HD2 LYS 32 1HD LYS 32 -9.470 2.215 3.650 220 HD3 LYS 32 2HD LYS 32 -9.192 0.638 4.394 221 HE2 LYS 32 1HE LYS 32 -9.469 2.150 6.182 222 HE3 LYS 32 2HE LYS 32 -7.736 1.846 6.079 223 HZ1 LYS 32 1HZ LYS 32 -8.899 4.145 4.659 224 HZ2 LYS 32 2HZ LYS 32 -7.328 3.936 5.249 225 HZ3 LYS 32 3HZ LYS 32 -8.598 4.255 6.320 226 H THR 33 H THR 33 -5.257 2.578 0.667 227 HA THR 33 HA THR 33 -5.324 0.735 -1.456 228 HB THR 33 HB THR 33 -2.989 1.343 0.367 229 HG1 THR 33 1HG THR 33 -2.498 2.928 -1.211 230 HG21 THR 33 1HG2 THR 33 -2.402 -0.550 -0.894 231 HG22 THR 33 2HG2 THR 33 -1.725 0.806 -1.796 232 HG23 THR 33 3HG2 THR 33 -3.223 0.048 -2.335 233 H ILE 34 H ILE 34 -4.937 -1.451 -1.572 234 HA ILE 34 HA ILE 34 -4.772 -2.905 0.984 235 HB ILE 34 HB ILE 34 -6.516 -3.609 -1.378 236 HG12 ILE 34 1HG1 ILE 34 -7.397 -3.176 1.465 237 HG13 ILE 34 2HG1 ILE 34 -7.233 -1.824 0.351 238 HG21 ILE 34 1HG2 ILE 34 -5.441 -5.228 0.814 239 HG22 ILE 34 2HG2 ILE 34 -7.185 -5.354 0.598 240 HG23 ILE 34 3HG2 ILE 34 -6.103 -5.721 -0.744 241 HD11 ILE 34 1HD1 ILE 34 -9.114 -4.150 0.195 242 HD12 ILE 34 2HD1 ILE 34 -9.489 -2.428 0.274 243 HD13 ILE 34 3HD1 ILE 34 -8.783 -3.110 -1.191 244 H PHE 35 H PHE 35 -3.591 -4.810 0.983 245 HA PHE 35 HA PHE 35 -2.194 -5.498 -1.509 246 HB2 PHE 35 1HB PHE 35 -1.001 -4.921 1.189 247 HB3 PHE 35 2HB PHE 35 -0.178 -5.982 0.050 248 HD1 PHE 35 2HD PHE 35 0.663 -5.104 -2.078 249 HD2 PHE 35 1HD PHE 35 -1.097 -2.563 0.848 250 HE1 PHE 35 2HE PHE 35 1.638 -3.144 -3.199 251 HE2 PHE 35 1HE PHE 35 -0.126 -0.598 -0.270 252 HZ PHE 35 HZ PHE 35 1.245 -0.887 -2.295 253 H ALA 36 H ALA 36 -2.799 -7.496 -2.001 254 HA ALA 36 HA ALA 36 -3.408 -9.397 0.139 255 HB1 ALA 36 1HB ALA 36 -4.213 -9.100 -2.687 256 HB2 ALA 36 2HB ALA 36 -4.044 -10.750 -2.086 257 HB3 ALA 36 3HB ALA 36 -5.147 -9.629 -1.287 258 H TYR 37 H TYR 37 -1.909 -10.786 0.777 259 HA TYR 37 HA TYR 37 0.270 -11.468 -1.080 260 HB2 TYR 37 1HB TYR 37 0.988 -10.355 0.991 261 HB3 TYR 37 2HB TYR 37 0.210 -11.616 1.942 262 HD1 TYR 37 1HD TYR 37 2.628 -11.442 -0.913 263 HD2 TYR 37 2HD TYR 37 1.640 -13.173 2.846 264 HE1 TYR 37 1HE TYR 37 4.701 -12.765 -0.984 265 HE2 TYR 37 2HE TYR 37 3.710 -14.499 2.786 266 HH TYR 37 HH TYR 37 5.827 -14.474 -0.038 267 H PHE 38 H PHE 38 -0.831 -13.146 -2.135 268 HA PHE 38 HA PHE 38 -1.976 -15.331 -0.668 269 HB2 PHE 38 1HB PHE 38 -1.235 -15.316 -3.594 270 HB3 PHE 38 2HB PHE 38 -2.454 -16.304 -2.795 271 HD1 PHE 38 1HD PHE 38 -4.566 -15.290 -2.037 272 HD2 PHE 38 2HD PHE 38 -1.705 -13.096 -4.298 273 HE1 PHE 38 1HE PHE 38 -6.281 -13.606 -2.566 274 HE2 PHE 38 2HE PHE 38 -3.414 -11.409 -4.830 275 HZ PHE 38 HZ PHE 38 -5.705 -11.662 -3.963 276 H SER 39 H SER 39 -0.819 -16.829 0.330 277 HA SER 39 HA SER 39 1.474 -18.018 -1.013 278 HB2 SER 39 1HB SER 39 3.019 -17.679 0.763 279 HB3 SER 39 2HB SER 39 2.292 -16.102 0.454 280 HG SER 39 HG SER 39 1.485 -17.913 2.487 281 H GLY 40 H GLY 40 2.340 -19.899 0.380 282 HA2 GLY 40 1HA GLY 40 0.270 -21.743 0.767 283 HA3 GLY 40 2HA GLY 40 1.923 -21.947 1.325 284 H SER 41 H SER 41 -0.342 -22.882 2.714 285 HA SER 41 HA SER 41 -1.049 -21.073 4.810 286 HB2 SER 41 1HB SER 41 -1.362 -24.080 4.638 287 HB3 SER 41 2HB SER 41 -2.122 -23.043 5.844 288 HG SER 41 HG SER 41 -2.499 -22.790 3.043 289 H LYS 42 H LYS 42 -0.602 -21.454 7.099 290 HA LYS 42 HA LYS 42 2.214 -21.903 7.522 291 HB2 LYS 42 1HB LYS 42 -0.021 -21.148 9.411 292 HB3 LYS 42 2HB LYS 42 1.666 -21.286 9.890 293 HG2 LYS 42 1HG LYS 42 2.021 -19.595 7.905 294 HG3 LYS 42 2HG LYS 42 0.326 -19.221 8.227 295 HD2 LYS 42 1HD LYS 42 0.872 -18.774 10.572 296 HD3 LYS 42 2HD LYS 42 2.566 -19.152 10.250 297 HE2 LYS 42 1HE LYS 42 2.276 -17.306 8.395 298 HE3 LYS 42 2HE LYS 42 0.954 -16.781 9.438 299 HZ1 LYS 42 1HZ LYS 42 2.638 -16.818 11.293 300 HZ2 LYS 42 2HZ LYS 42 2.841 -15.601 10.137 301 HZ3 LYS 42 3HZ LYS 42 3.832 -16.971 10.104 302 H ASP 43 H ASP 43 3.177 -23.570 8.583 303 HA ASP 43 HA ASP 43 1.687 -26.019 8.811 304 HB2 ASP 43 1HB ASP 43 4.564 -25.243 9.131 305 HB3 ASP 43 2HB ASP 43 4.012 -26.800 9.741 306 H THR 44 H THR 44 2.505 -27.387 10.893 307 HA THR 44 HA THR 44 1.006 -26.425 13.047 308 HB THR 44 HB THR 44 2.053 -28.240 14.377 309 HG1 THR 44 1HG THR 44 3.741 -28.332 12.109 310 HG21 THR 44 1HG2 THR 44 0.711 -28.579 11.795 311 HG22 THR 44 2HG2 THR 44 0.336 -29.283 13.368 312 HG23 THR 44 3HG2 THR 44 1.575 -30.013 12.348 313 H GLU 45 H GLU 45 4.234 -25.750 12.105 314 HA GLU 45 HA GLU 45 5.018 -24.821 14.752 315 HB2 GLU 45 1HB GLU 45 6.506 -26.014 12.923 316 HB3 GLU 45 2HB GLU 45 6.690 -24.374 12.318 317 HG2 GLU 45 1HG GLU 45 8.499 -24.542 13.704 318 HG3 GLU 45 2HG GLU 45 7.307 -23.829 14.789 319 H GLY 46 H GLY 46 3.549 -23.606 11.938 320 HA2 GLY 46 1HA GLY 46 2.550 -21.458 11.856 321 HA3 GLY 46 2HA GLY 46 3.740 -20.889 13.018 322 H LYS 47 H LYS 47 4.467 -22.720 10.103 323 HA LYS 47 HA LYS 47 5.483 -20.299 8.807 324 HB2 LYS 47 1HB LYS 47 7.638 -21.255 8.364 325 HB3 LYS 47 2HB LYS 47 7.346 -21.363 10.095 326 HG2 LYS 47 1HG LYS 47 6.872 -23.691 9.949 327 HG3 LYS 47 2HG LYS 47 6.868 -23.637 8.185 328 HD2 LYS 47 1HD LYS 47 8.964 -24.510 8.666 329 HD3 LYS 47 2HD LYS 47 9.302 -22.792 8.446 330 HE2 LYS 47 1HE LYS 47 8.671 -23.851 11.169 331 HE3 LYS 47 2HE LYS 47 10.286 -24.069 10.497 332 HZ1 LYS 47 1HZ LYS 47 10.143 -21.556 10.049 333 HZ2 LYS 47 2HZ LYS 47 10.452 -22.080 11.627 334 HZ3 LYS 47 3HZ LYS 47 8.899 -21.565 11.195 335 H SER 48 H SER 48 5.416 -20.338 6.594 336 HA SER 48 HA SER 48 3.612 -22.096 5.352 337 HB2 SER 48 1HB SER 48 5.517 -20.003 4.384 338 HB3 SER 48 2HB SER 48 4.773 -21.083 3.206 339 HG SER 48 HG SER 48 3.233 -19.716 5.137 340 H TRP 49 H TRP 49 3.877 -23.849 4.020 341 HA TRP 49 HA TRP 49 6.018 -25.579 4.511 342 HB2 TRP 49 1HB TRP 49 5.098 -26.767 2.396 343 HB3 TRP 49 2HB TRP 49 4.057 -26.632 3.810 344 HD1 TRP 49 HD TRP 49 1.913 -25.076 3.616 345 HE1 TRP 49 1HE TRP 49 0.703 -24.028 1.600 346 HE3 TRP 49 3HE TRP 49 5.529 -25.740 0.063 347 HZ2 TRP 49 2HZ TRP 49 1.213 -23.548 -1.134 348 HZ3 TRP 49 3HZ TRP 49 5.088 -24.959 -2.228 349 HH2 TRP 49 HH TRP 49 2.974 -23.886 -2.813 350 H CYS 50 H CYS 50 5.563 -23.119 2.087 351 HA CYS 50 HA CYS 50 7.736 -24.009 0.423 352 HB2 CYS 50 1HB CYS 50 5.648 -22.623 -0.261 353 HB3 CYS 50 2HB CYS 50 6.559 -21.245 0.346 354 HG CYS 50 HG CYS 50 6.575 -22.109 -2.616 355 HA PRO 51 HA PRO 51 10.977 -22.157 2.786 356 HB2 PRO 51 1HB PRO 51 12.916 -22.280 0.890 357 HB3 PRO 51 2HB PRO 51 12.361 -23.697 1.789 358 HG2 PRO 51 1HG PRO 51 11.609 -22.786 -0.961 359 HG3 PRO 51 2HG PRO 51 11.978 -24.423 -0.386 360 HD2 PRO 51 1HD PRO 51 9.443 -23.543 -0.752 361 HD3 PRO 51 2HD PRO 51 9.874 -24.718 0.507 362 H ASP 52 H ASP 52 10.765 -21.117 -0.623 363 HA ASP 52 HA ASP 52 12.046 -18.679 -0.390 364 HB2 ASP 52 1HB ASP 52 9.941 -19.735 -2.234 365 HB3 ASP 52 2HB ASP 52 10.360 -18.026 -2.310 366 H CYS 53 H CYS 53 8.570 -19.354 -0.042 367 HA CYS 53 HA CYS 53 7.622 -16.817 0.402 368 HB2 CYS 53 1HB CYS 53 6.063 -18.609 0.246 369 HB3 CYS 53 2HB CYS 53 6.783 -19.448 1.614 370 HG CYS 53 HG CYS 53 4.530 -18.641 2.767 371 H VAL 54 H VAL 54 8.601 -19.091 2.974 372 HA VAL 54 HA VAL 54 8.378 -17.456 5.155 373 HB VAL 54 HB VAL 54 10.539 -19.499 4.628 374 HG11 VAL 54 1HG1 VAL 54 11.274 -18.067 6.408 375 HG12 VAL 54 2HG1 VAL 54 9.698 -18.161 7.195 376 HG13 VAL 54 3HG1 VAL 54 10.727 -19.591 7.107 377 HG21 VAL 54 1HG2 VAL 54 9.104 -21.104 5.313 378 HG22 VAL 54 2HG2 VAL 54 8.298 -20.044 6.469 379 HG23 VAL 54 3HG2 VAL 54 7.891 -19.952 4.756 380 H GLU 55 H GLU 55 10.891 -17.447 2.716 381 HA GLU 55 HA GLU 55 12.612 -15.656 4.165 382 HB2 GLU 55 1HB GLU 55 13.370 -17.347 2.437 383 HB3 GLU 55 2HB GLU 55 12.700 -16.277 1.214 384 HG2 GLU 55 1HG GLU 55 15.109 -15.985 1.467 385 HG3 GLU 55 2HG GLU 55 14.221 -14.516 1.871 386 H ALA 56 H ALA 56 10.196 -15.386 1.620 387 HA ALA 56 HA ALA 56 10.695 -12.644 1.031 388 HB1 ALA 56 1HB ALA 56 8.939 -14.714 0.098 389 HB2 ALA 56 2HB ALA 56 8.037 -13.218 0.351 390 HB3 ALA 56 3HB ALA 56 9.447 -13.230 -0.708 391 H GLU 57 H GLU 57 8.642 -14.338 3.312 392 HA GLU 57 HA GLU 57 6.775 -12.524 4.055 393 HB2 GLU 57 1HB GLU 57 6.607 -14.383 5.360 394 HB3 GLU 57 2HB GLU 57 8.349 -14.550 5.533 395 HG2 GLU 57 1HG GLU 57 7.283 -14.056 7.661 396 HG3 GLU 57 2HG GLU 57 8.380 -12.764 7.176 397 HA PRO 58 HA PRO 58 9.854 -10.142 6.913 398 HB2 PRO 58 1HB PRO 58 12.492 -10.740 6.680 399 HB3 PRO 58 2HB PRO 58 11.413 -11.576 7.804 400 HG2 PRO 58 1HG PRO 58 12.363 -12.433 5.097 401 HG3 PRO 58 2HG PRO 58 12.211 -13.388 6.584 402 HD2 PRO 58 1HD PRO 58 10.373 -13.483 4.597 403 HD3 PRO 58 2HD PRO 58 9.942 -13.691 6.307 404 H VAL 59 H VAL 59 10.492 -10.926 3.624 405 HA VAL 59 HA VAL 59 12.039 -8.526 3.104 406 HB VAL 59 HB VAL 59 10.921 -10.495 1.106 407 HG11 VAL 59 1HG1 VAL 59 11.553 -8.784 -0.237 408 HG12 VAL 59 2HG1 VAL 59 12.685 -8.127 0.947 409 HG13 VAL 59 3HG1 VAL 59 13.140 -9.524 -0.030 410 HG21 VAL 59 1HG2 VAL 59 13.768 -10.666 1.639 411 HG22 VAL 59 2HG2 VAL 59 12.799 -11.033 3.066 412 HG23 VAL 59 3HG2 VAL 59 12.553 -11.943 1.576 413 H ILE 60 H ILE 60 8.751 -9.594 2.950 414 HA ILE 60 HA ILE 60 7.940 -7.338 1.289 415 HB ILE 60 HB ILE 60 6.262 -9.526 2.525 416 HG12 ILE 60 1HG1 ILE 60 7.398 -9.171 -0.254 417 HG13 ILE 60 2HG1 ILE 60 7.749 -10.469 0.882 418 HG21 ILE 60 1HG2 ILE 60 5.444 -7.697 0.291 419 HG22 ILE 60 2HG2 ILE 60 4.433 -8.723 1.308 420 HG23 ILE 60 3HG2 ILE 60 5.176 -7.273 1.982 421 HD11 ILE 60 1HD1 ILE 60 6.199 -11.641 -0.184 422 HD12 ILE 60 2HD1 ILE 60 5.007 -10.582 0.571 423 HD13 ILE 60 3HD1 ILE 60 5.612 -10.219 -1.046 424 H ARG 61 H ARG 61 7.404 -8.599 4.564 425 HA ARG 61 HA ARG 61 5.701 -6.536 5.439 426 HB2 ARG 61 1HB ARG 61 7.389 -8.600 6.780 427 HB3 ARG 61 2HB ARG 61 6.747 -7.285 7.754 428 HG2 ARG 61 1HG ARG 61 4.493 -7.968 6.570 429 HG3 ARG 61 2HG ARG 61 5.330 -9.512 6.397 430 HD2 ARG 61 1HD ARG 61 4.375 -9.850 8.435 431 HD3 ARG 61 2HD ARG 61 5.871 -9.075 8.955 432 HE ARG 61 HE ARG 61 3.704 -7.240 8.483 433 HH11 ARG 61 2HH1 ARG 61 5.247 -9.331 10.801 434 HH12 ARG 61 1HH1 ARG 61 4.628 -8.479 12.177 435 HH21 ARG 61 2HH2 ARG 61 2.882 -6.111 10.287 436 HH22 ARG 61 1HH2 ARG 61 3.282 -6.649 11.883 437 H GLU 62 H GLU 62 9.194 -6.823 5.311 438 HA GLU 62 HA GLU 62 9.779 -4.581 6.948 439 HB2 GLU 62 1HB GLU 62 11.343 -6.148 4.917 440 HB3 GLU 62 2HB GLU 62 12.014 -4.693 5.640 441 HG2 GLU 62 1HG GLU 62 11.820 -5.663 7.849 442 HG3 GLU 62 2HG GLU 62 11.060 -7.102 7.171 443 H GLY 63 H GLY 63 9.278 -5.000 3.479 444 HA2 GLY 63 1HA GLY 63 10.031 -2.338 2.775 445 HA3 GLY 63 2HA GLY 63 9.149 -3.471 1.761 446 H LEU 64 H LEU 64 7.047 -3.825 3.814 447 HA LEU 64 HA LEU 64 5.208 -1.948 2.892 448 HB2 LEU 64 1HB LEU 64 5.261 -3.766 5.271 449 HB3 LEU 64 2HB LEU 64 3.921 -2.650 5.019 450 HG LEU 64 HG LEU 64 4.709 -4.575 2.864 451 HD11 LEU 64 1HD1 LEU 64 2.539 -5.656 4.287 452 HD12 LEU 64 2HD1 LEU 64 3.796 -5.308 5.473 453 HD13 LEU 64 3HD1 LEU 64 4.153 -6.337 4.086 454 HD21 LEU 64 1HD2 LEU 64 3.091 -2.689 2.491 455 HD22 LEU 64 2HD2 LEU 64 2.018 -3.474 3.650 456 HD23 LEU 64 3HD2 LEU 64 2.457 -4.300 2.154 457 H LYS 65 H LYS 65 7.709 -1.546 5.116 458 HA LYS 65 HA LYS 65 6.464 0.491 6.726 459 HB2 LYS 65 1HB LYS 65 9.282 -0.535 6.462 460 HB3 LYS 65 2HB LYS 65 8.903 0.870 7.450 461 HG2 LYS 65 1HG LYS 65 7.174 -0.672 8.581 462 HG3 LYS 65 2HG LYS 65 8.098 -1.982 7.843 463 HD2 LYS 65 1HD LYS 65 9.064 -1.751 9.952 464 HD3 LYS 65 2HD LYS 65 10.151 -0.844 8.899 465 HE2 LYS 65 1HE LYS 65 9.834 0.543 10.761 466 HE3 LYS 65 2HE LYS 65 8.767 1.207 9.524 467 HZ1 LYS 65 1HZ LYS 65 8.106 -0.128 12.026 468 HZ2 LYS 65 2HZ LYS 65 7.106 -0.473 10.707 469 HZ3 LYS 65 3HZ LYS 65 7.303 1.126 11.222 470 H HIS 66 H HIS 66 8.648 0.380 3.959 471 HA HIS 66 HA HIS 66 9.166 3.177 3.891 472 HB2 HIS 66 1HB HIS 66 9.389 1.116 1.688 473 HB3 HIS 66 2HB HIS 66 10.073 2.738 1.642 474 HD1 HIS 66 1HD HIS 66 12.443 2.866 2.320 475 HD2 HIS 66 2HD HIS 66 10.536 -0.423 3.996 476 HE1 HIS 66 1HE HIS 66 14.230 1.622 3.578 477 HE2 HIS 66 2HE HIS 66 13.071 -0.410 4.512 478 H VAL 67 H VAL 67 6.455 1.329 3.084 479 HA VAL 67 HA VAL 67 5.355 2.483 0.855 480 HB VAL 67 HB VAL 67 4.391 0.663 2.429 481 HG11 VAL 67 1HG1 VAL 67 3.118 1.243 4.213 482 HG12 VAL 67 2HG1 VAL 67 4.203 2.635 4.226 483 HG13 VAL 67 3HG1 VAL 67 2.605 2.768 3.491 484 HG21 VAL 67 1HG2 VAL 67 3.318 2.220 0.380 485 HG22 VAL 67 2HG2 VAL 67 2.719 0.665 0.959 486 HG23 VAL 67 3HG2 VAL 67 2.064 2.163 1.620 487 H THR 68 H THR 68 4.053 4.267 0.427 488 HA THR 68 HA THR 68 4.096 6.389 2.474 489 HB THR 68 HB THR 68 5.676 6.783 0.552 490 HG1 THR 68 1HG THR 68 3.596 8.498 1.325 491 HG21 THR 68 1HG2 THR 68 4.929 6.368 -1.510 492 HG22 THR 68 2HG2 THR 68 3.916 7.804 -1.363 493 HG23 THR 68 3HG2 THR 68 3.268 6.221 -0.939 494 H GLU 69 H GLU 69 1.979 4.518 2.083 495 HA GLU 69 HA GLU 69 -0.193 6.366 1.731 496 HB2 GLU 69 1HB GLU 69 -1.340 5.124 -0.036 497 HB3 GLU 69 2HB GLU 69 0.208 5.736 -0.600 498 HG2 GLU 69 1HG GLU 69 1.134 3.431 -0.030 499 HG3 GLU 69 2HG GLU 69 -0.549 2.919 0.084 500 H ASP 70 H ASP 70 -1.460 5.921 3.395 501 HA ASP 70 HA ASP 70 -1.352 3.766 5.072 502 HB2 ASP 70 1HB ASP 70 -3.700 4.348 5.733 503 HB3 ASP 70 2HB ASP 70 -2.600 5.723 5.696 504 H CYS 71 H CYS 71 -1.280 1.732 4.274 505 HA CYS 71 HA CYS 71 -3.606 0.826 2.708 506 HB2 CYS 71 1HB CYS 71 -2.221 -0.729 1.543 507 HB3 CYS 71 2HB CYS 71 -1.399 0.825 1.484 508 HG CYS 71 HG CYS 71 -0.593 -1.808 3.514 509 H VAL 72 H VAL 72 -3.847 -1.658 2.900 510 HA VAL 72 HA VAL 72 -3.366 -2.495 5.681 511 HB VAL 72 HB VAL 72 -5.941 -2.914 4.157 512 HG11 VAL 72 1HG1 VAL 72 -5.924 -4.744 5.509 513 HG12 VAL 72 2HG1 VAL 72 -4.863 -3.991 6.703 514 HG13 VAL 72 3HG1 VAL 72 -6.575 -3.568 6.650 515 HG21 VAL 72 1HG2 VAL 72 -6.432 -1.533 6.532 516 HG22 VAL 72 2HG2 VAL 72 -5.021 -0.748 5.823 517 HG23 VAL 72 3HG2 VAL 72 -6.512 -0.892 4.891 518 H PHE 73 H PHE 73 -1.872 -4.049 5.384 519 HA PHE 73 HA PHE 73 -1.692 -5.752 3.157 520 HB2 PHE 73 1HB PHE 73 0.163 -5.277 4.760 521 HB3 PHE 73 2HB PHE 73 -0.657 -6.286 5.948 522 HD1 PHE 73 2HD PHE 73 1.241 -6.251 2.825 523 HD2 PHE 73 1HD PHE 73 -0.705 -8.687 5.723 524 HE1 PHE 73 2HE PHE 73 2.369 -8.236 1.909 525 HE2 PHE 73 1HE PHE 73 0.421 -10.676 4.812 526 HZ PHE 73 HZ PHE 73 1.959 -10.453 2.902 527 H ILE 74 H ILE 74 -2.296 -7.887 2.834 528 HA ILE 74 HA ILE 74 -4.135 -9.062 4.801 529 HB ILE 74 HB ILE 74 -4.653 -8.970 1.827 530 HG12 ILE 74 1HG1 ILE 74 -6.136 -7.611 4.088 531 HG13 ILE 74 2HG1 ILE 74 -5.027 -6.803 2.985 532 HG21 ILE 74 1HG2 ILE 74 -6.444 -10.350 2.129 533 HG22 ILE 74 2HG2 ILE 74 -5.382 -10.974 3.391 534 HG23 ILE 74 3HG2 ILE 74 -6.682 -9.857 3.805 535 HD11 ILE 74 1HD1 ILE 74 -6.488 -7.324 1.116 536 HD12 ILE 74 2HD1 ILE 74 -7.589 -8.172 2.203 537 HD13 ILE 74 3HD1 ILE 74 -7.352 -6.433 2.369 538 H TYR 75 H TYR 75 -2.851 -10.708 5.458 539 HA TYR 75 HA TYR 75 -1.285 -12.257 3.607 540 HB2 TYR 75 1HB TYR 75 -0.725 -11.746 6.064 541 HB3 TYR 75 2HB TYR 75 -1.876 -13.018 6.461 542 HD1 TYR 75 1HD TYR 75 -1.468 -15.331 5.375 543 HD2 TYR 75 2HD TYR 75 1.494 -12.286 5.615 544 HE1 TYR 75 1HE TYR 75 0.289 -17.024 5.062 545 HE2 TYR 75 2HE TYR 75 3.259 -13.970 5.301 546 HH TYR 75 HH TYR 75 2.508 -17.295 4.510 547 H CYS 76 H CYS 76 -2.782 -13.150 2.173 548 HA CYS 76 HA CYS 76 -4.853 -14.902 3.237 549 HB2 CYS 76 1HB CYS 76 -5.452 -13.425 1.384 550 HB3 CYS 76 2HB CYS 76 -4.180 -14.127 0.391 551 HG CYS 76 HG CYS 76 -5.431 -16.313 -0.329 552 H GLN 77 H GLN 77 -4.728 -17.062 3.293 553 HA GLN 77 HA GLN 77 -2.312 -18.309 2.177 554 HB2 GLN 77 1HB GLN 77 -4.152 -19.295 4.364 555 HB3 GLN 77 2HB GLN 77 -2.701 -20.114 3.803 556 HG2 GLN 77 1HG GLN 77 -1.301 -18.662 4.853 557 HG3 GLN 77 2HG GLN 77 -2.433 -17.315 4.742 558 HE21 GLN 77 1HE2 GLN 77 -2.196 -20.517 6.258 559 HE22 GLN 77 2HE2 GLN 77 -2.862 -20.035 7.777 560 H VAL 78 H VAL 78 -2.631 -19.281 0.293 561 HA VAL 78 HA VAL 78 -5.064 -19.905 -0.875 562 HB VAL 78 HB VAL 78 -3.807 -21.375 -2.409 563 HG11 VAL 78 1HG1 VAL 78 -3.259 -18.597 -1.854 564 HG12 VAL 78 2HG1 VAL 78 -1.864 -19.385 -2.594 565 HG13 VAL 78 3HG1 VAL 78 -3.431 -19.421 -3.404 566 HG21 VAL 78 1HG2 VAL 78 -1.630 -20.972 -0.380 567 HG22 VAL 78 2HG2 VAL 78 -2.252 -22.483 -1.044 568 HG23 VAL 78 3HG2 VAL 78 -1.278 -21.413 -2.051 569 H GLY 79 H GLY 79 -2.838 -22.093 0.849 570 HA2 GLY 79 1HA GLY 79 -4.549 -23.547 2.326 571 HA3 GLY 79 2HA GLY 79 -4.768 -24.255 0.732 572 H ASP 80 H ASP 80 -3.920 -26.250 1.209 573 HA ASP 80 HA ASP 80 -1.301 -26.477 2.418 574 HB2 ASP 80 1HB ASP 80 -2.709 -28.795 1.155 575 HB3 ASP 80 2HB ASP 80 -1.724 -28.745 2.615 576 H LYS 81 H LYS 81 0.349 -27.914 1.358 577 HA LYS 81 HA LYS 81 1.288 -26.800 -0.990 578 HB2 LYS 81 1HB LYS 81 2.304 -28.536 0.809 579 HB3 LYS 81 2HB LYS 81 1.991 -29.640 -0.523 580 HG2 LYS 81 1HG LYS 81 3.574 -28.697 -1.864 581 HG3 LYS 81 2HG LYS 81 3.412 -27.103 -1.122 582 HD2 LYS 81 1HD LYS 81 5.495 -27.833 -0.379 583 HD3 LYS 81 2HD LYS 81 4.426 -28.219 0.971 584 HE2 LYS 81 1HE LYS 81 5.015 -30.232 -1.172 585 HE3 LYS 81 2HE LYS 81 6.116 -29.999 0.185 586 HZ1 LYS 81 1HZ LYS 81 4.539 -30.733 1.695 587 HZ2 LYS 81 2HZ LYS 81 4.307 -31.775 0.382 588 HZ3 LYS 81 3HZ LYS 81 3.241 -30.486 0.637 589 HA PRO 82 HA PRO 82 -0.570 -30.587 -3.381 590 HB2 PRO 82 1HB PRO 82 -2.502 -31.997 -2.097 591 HB3 PRO 82 2HB PRO 82 -0.786 -32.405 -1.993 592 HG2 PRO 82 1HG PRO 82 -2.492 -30.889 -0.057 593 HG3 PRO 82 2HG PRO 82 -1.276 -32.139 0.264 594 HD2 PRO 82 1HD PRO 82 -0.764 -29.497 0.565 595 HD3 PRO 82 2HD PRO 82 0.480 -30.660 0.063 596 H TYR 83 H TYR 83 -2.159 -28.212 -1.595 597 HA TYR 83 HA TYR 83 -4.658 -28.410 -3.087 598 HB2 TYR 83 1HB TYR 83 -4.854 -27.913 -0.722 599 HB3 TYR 83 2HB TYR 83 -3.777 -26.531 -0.887 600 HD1 TYR 83 2HD TYR 83 -4.548 -24.522 -2.157 601 HD2 TYR 83 1HD TYR 83 -7.172 -27.733 -1.207 602 HE1 TYR 83 2HE TYR 83 -6.480 -23.064 -2.593 603 HE2 TYR 83 1HE TYR 83 -9.112 -26.285 -1.641 604 HH TYR 83 HH TYR 83 -9.682 -24.279 -2.828 605 H TRP 84 H TRP 84 -1.897 -26.238 -2.690 606 HA TRP 84 HA TRP 84 -2.760 -24.132 -4.294 607 HB2 TRP 84 1HB TRP 84 -0.811 -23.778 -3.001 608 HB3 TRP 84 2HB TRP 84 -0.013 -25.199 -3.668 609 HD1 TRP 84 HD TRP 84 1.974 -24.385 -5.052 610 HE1 TRP 84 1HE TRP 84 2.374 -22.543 -6.805 611 HE3 TRP 84 3HE TRP 84 -2.619 -22.143 -4.936 612 HZ2 TRP 84 2HZ TRP 84 0.933 -20.420 -7.982 613 HZ3 TRP 84 3HZ TRP 84 -3.027 -20.212 -6.405 614 HH2 TRP 84 HH TRP 84 -1.286 -19.370 -7.896 615 H LYS 85 H LYS 85 -0.879 -27.012 -5.201 616 HA LYS 85 HA LYS 85 -0.375 -26.545 -7.834 617 HB2 LYS 85 1HB LYS 85 -1.146 -29.069 -6.397 618 HB3 LYS 85 2HB LYS 85 -0.814 -29.084 -8.124 619 HG2 LYS 85 1HG LYS 85 1.428 -28.342 -7.772 620 HG3 LYS 85 2HG LYS 85 1.118 -28.061 -6.057 621 HD2 LYS 85 1HD LYS 85 0.473 -30.607 -6.084 622 HD3 LYS 85 2HD LYS 85 1.486 -30.630 -7.529 623 HE2 LYS 85 1HE LYS 85 2.434 -29.425 -4.948 624 HE3 LYS 85 2HE LYS 85 2.595 -31.149 -5.279 625 HZ1 LYS 85 1HZ LYS 85 3.534 -29.772 -7.511 626 HZ2 LYS 85 2HZ LYS 85 4.424 -30.702 -6.415 627 HZ3 LYS 85 3HZ LYS 85 4.232 -29.041 -6.154 628 H ASP 86 H ASP 86 -3.434 -27.648 -6.441 629 HA ASP 86 HA ASP 86 -4.933 -28.320 -8.581 630 HB2 ASP 86 1HB ASP 86 -6.030 -26.364 -6.572 631 HB3 ASP 86 2HB ASP 86 -6.862 -27.690 -7.378 632 HA PRO 87 HA PRO 87 -4.319 -24.605 -11.090 633 HB2 PRO 87 1HB PRO 87 -5.087 -25.790 -13.409 634 HB3 PRO 87 2HB PRO 87 -3.465 -25.969 -12.730 635 HG2 PRO 87 1HG PRO 87 -5.799 -27.837 -12.576 636 HG3 PRO 87 2HG PRO 87 -4.091 -28.204 -12.879 637 HD2 PRO 87 1HD PRO 87 -5.248 -28.546 -10.454 638 HD3 PRO 87 2HD PRO 87 -3.542 -28.093 -10.643 639 H ASN 88 H ASN 88 -7.079 -26.421 -10.280 640 HA ASN 88 HA ASN 88 -8.874 -24.591 -11.709 641 HB2 ASN 88 1HB ASN 88 -9.460 -27.194 -10.280 642 HB3 ASN 88 2HB ASN 88 -10.656 -26.207 -11.114 643 HD21 ASN 88 1HD2 ASN 88 -8.684 -28.818 -11.396 644 HD22 ASN 88 2HD2 ASN 88 -8.587 -28.922 -13.118 645 H ASN 89 H ASN 89 -7.368 -23.722 -9.410 646 HA ASN 89 HA ASN 89 -9.249 -23.628 -7.205 647 HB2 ASN 89 1HB ASN 89 -6.430 -22.746 -7.644 648 HB3 ASN 89 2HB ASN 89 -7.359 -21.967 -6.367 649 HD21 ASN 89 1HD2 ASN 89 -5.102 -23.433 -5.822 650 HD22 ASN 89 2HD2 ASN 89 -5.543 -24.870 -4.970 651 H ASP 90 H ASP 90 -9.878 -21.552 -6.236 652 HA ASP 90 HA ASP 90 -11.085 -19.851 -8.156 653 HB2 ASP 90 1HB ASP 90 -10.712 -19.372 -5.192 654 HB3 ASP 90 2HB ASP 90 -11.862 -18.551 -6.244 655 H PHE 91 H PHE 91 -8.024 -19.835 -6.591 656 HA PHE 91 HA PHE 91 -7.499 -17.036 -6.867 657 HB2 PHE 91 1HB PHE 91 -5.569 -19.334 -6.480 658 HB3 PHE 91 2HB PHE 91 -5.190 -17.627 -6.278 659 HD1 PHE 91 2HD PHE 91 -6.243 -16.347 -4.425 660 HD2 PHE 91 1HD PHE 91 -6.613 -20.573 -4.766 661 HE1 PHE 91 2HE PHE 91 -6.922 -16.475 -2.064 662 HE2 PHE 91 1HE PHE 91 -7.294 -20.708 -2.406 663 HZ PHE 91 HZ PHE 91 -7.448 -18.657 -1.051 664 H ARG 92 H ARG 92 -6.669 -19.936 -8.720 665 HA ARG 92 HA ARG 92 -5.283 -18.368 -10.730 666 HB2 ARG 92 1HB ARG 92 -5.938 -21.318 -10.757 667 HB3 ARG 92 2HB ARG 92 -4.773 -20.486 -11.778 668 HG2 ARG 92 1HG ARG 92 -3.249 -20.228 -10.052 669 HG3 ARG 92 2HG ARG 92 -4.478 -20.448 -8.804 670 HD2 ARG 92 1HD ARG 92 -4.475 -22.737 -9.014 671 HD3 ARG 92 2HD ARG 92 -3.916 -22.689 -10.685 672 HE ARG 92 HE ARG 92 -2.300 -22.932 -8.388 673 HH11 ARG 92 2HH1 ARG 92 -2.406 -21.318 -11.471 674 HH12 ARG 92 1HH1 ARG 92 -0.683 -21.220 -11.626 675 HH21 ARG 92 2HH2 ARG 92 -0.030 -22.810 -8.581 676 HH22 ARG 92 1HH2 ARG 92 0.667 -22.070 -9.982 677 H GLN 93 H GLN 93 -8.451 -19.153 -10.071 678 HA GLN 93 HA GLN 93 -9.246 -19.201 -12.892 679 HB2 GLN 93 1HB GLN 93 -10.827 -19.756 -10.377 680 HB3 GLN 93 2HB GLN 93 -11.498 -19.791 -12.002 681 HG2 GLN 93 1HG GLN 93 -9.123 -21.476 -11.418 682 HG3 GLN 93 2HG GLN 93 -10.693 -21.981 -10.794 683 HE21 GLN 93 1HE2 GLN 93 -8.665 -21.756 -13.524 684 HE22 GLN 93 2HE2 GLN 93 -9.753 -22.436 -14.679 685 H LYS 94 H LYS 94 -9.669 -17.381 -9.904 686 HA LYS 94 HA LYS 94 -11.161 -15.323 -11.373 687 HB2 LYS 94 1HB LYS 94 -10.735 -15.527 -8.390 688 HB3 LYS 94 2HB LYS 94 -11.867 -14.476 -9.231 689 HG2 LYS 94 1HG LYS 94 -12.820 -16.752 -10.126 690 HG3 LYS 94 2HG LYS 94 -12.032 -17.395 -8.683 691 HD2 LYS 94 1HD LYS 94 -13.251 -15.480 -7.447 692 HD3 LYS 94 2HD LYS 94 -14.266 -15.406 -8.890 693 HE2 LYS 94 1HE LYS 94 -13.776 -17.998 -7.464 694 HE3 LYS 94 2HE LYS 94 -15.025 -16.881 -6.917 695 HZ1 LYS 94 1HZ LYS 94 -16.315 -17.916 -8.389 696 HZ2 LYS 94 2HZ LYS 94 -15.011 -18.636 -9.190 697 HZ3 LYS 94 3HZ LYS 94 -15.476 -17.058 -9.581 698 H LEU 95 H LEU 95 -8.503 -15.611 -9.017 699 HA LEU 95 HA LEU 95 -7.599 -12.925 -9.610 700 HB2 LEU 95 1HB LEU 95 -6.403 -15.061 -7.851 701 HB3 LEU 95 2HB LEU 95 -5.854 -13.389 -7.949 702 HG LEU 95 HG LEU 95 -8.607 -14.191 -7.019 703 HD11 LEU 95 1HD1 LEU 95 -7.702 -14.848 -5.105 704 HD12 LEU 95 2HD1 LEU 95 -7.097 -13.208 -4.874 705 HD13 LEU 95 3HD1 LEU 95 -6.086 -14.417 -5.666 706 HD21 LEU 95 1HD2 LEU 95 -7.091 -11.634 -7.242 707 HD22 LEU 95 2HD2 LEU 95 -8.248 -11.836 -5.925 708 HD23 LEU 95 3HD2 LEU 95 -8.784 -11.978 -7.600 709 H LYS 96 H LYS 96 -7.175 -15.953 -10.964 710 HA LYS 96 HA LYS 96 -5.602 -16.908 -12.330 711 HB2 LYS 96 1HB LYS 96 -5.926 -14.076 -13.188 712 HB3 LYS 96 2HB LYS 96 -4.633 -15.007 -13.932 713 HG2 LYS 96 1HG LYS 96 -6.482 -15.226 -15.359 714 HG3 LYS 96 2HG LYS 96 -6.382 -16.751 -14.476 715 HD2 LYS 96 1HD LYS 96 -8.623 -16.318 -14.282 716 HD3 LYS 96 2HD LYS 96 -8.026 -15.514 -12.828 717 HE2 LYS 96 1HE LYS 96 -8.475 -14.131 -15.469 718 HE3 LYS 96 2HE LYS 96 -9.655 -14.169 -14.159 719 HZ1 LYS 96 1HZ LYS 96 -6.999 -12.868 -14.191 720 HZ2 LYS 96 2HZ LYS 96 -7.820 -13.180 -12.746 721 HZ3 LYS 96 3HZ LYS 96 -8.510 -12.162 -13.908 722 H ILE 97 H ILE 97 -4.433 -16.735 -9.966 723 HA ILE 97 HA ILE 97 -2.100 -15.154 -9.806 724 HB ILE 97 HB ILE 97 -2.681 -17.794 -8.458 725 HG12 ILE 97 1HG1 ILE 97 -4.378 -16.156 -7.908 726 HG13 ILE 97 2HG1 ILE 97 -3.308 -16.354 -6.524 727 HG21 ILE 97 1HG2 ILE 97 -0.674 -15.656 -7.756 728 HG22 ILE 97 2HG2 ILE 97 -0.990 -17.126 -6.837 729 HG23 ILE 97 3HG2 ILE 97 -0.300 -17.231 -8.456 730 HD11 ILE 97 1HD1 ILE 97 -3.922 -13.995 -8.060 731 HD12 ILE 97 2HD1 ILE 97 -3.124 -14.149 -6.494 732 HD13 ILE 97 3HD1 ILE 97 -2.183 -14.280 -7.979 733 H THR 98 H THR 98 0.062 -15.658 -10.176 734 HA THR 98 HA THR 98 0.489 -17.624 -12.286 735 HB THR 98 HB THR 98 2.141 -15.341 -11.232 736 HG1 THR 98 1HG THR 98 1.927 -14.673 -13.410 737 HG21 THR 98 1HG2 THR 98 3.016 -17.517 -13.134 738 HG22 THR 98 2HG2 THR 98 3.722 -17.132 -11.565 739 HG23 THR 98 3HG2 THR 98 3.867 -15.991 -12.902 740 H ALA 99 H ALA 99 2.373 -16.632 -9.420 741 HA ALA 99 HA ALA 99 2.643 -19.399 -8.593 742 HB1 ALA 99 1HB ALA 99 4.899 -19.669 -8.903 743 HB2 ALA 99 2HB ALA 99 4.484 -18.720 -10.331 744 HB3 ALA 99 3HB ALA 99 5.215 -17.934 -8.932 745 H VAL 100 H VAL 100 2.583 -19.505 -6.444 746 HA VAL 100 HA VAL 100 2.680 -17.074 -4.888 747 HB VAL 100 HB VAL 100 1.896 -18.357 -3.049 748 HG11 VAL 100 1HG1 VAL 100 -0.101 -18.385 -4.017 749 HG12 VAL 100 2HG1 VAL 100 0.640 -18.509 -5.614 750 HG13 VAL 100 3HG1 VAL 100 0.275 -19.970 -4.694 751 HG21 VAL 100 1HG2 VAL 100 3.176 -20.253 -2.862 752 HG22 VAL 100 2HG2 VAL 100 1.671 -20.939 -3.472 753 HG23 VAL 100 3HG2 VAL 100 3.021 -20.660 -4.572 754 HA PRO 101 HA PRO 101 2.877 -16.671 -2.621 755 HB2 PRO 101 1HB PRO 101 4.390 -14.596 -1.739 756 HB3 PRO 101 2HB PRO 101 4.230 -16.115 -0.849 757 HG2 PRO 101 1HG PRO 101 6.437 -15.199 -2.653 758 HG3 PRO 101 2HG PRO 101 6.542 -16.025 -1.087 759 HD2 PRO 101 1HD PRO 101 6.839 -17.326 -3.443 760 HD3 PRO 101 2HD PRO 101 6.128 -18.096 -2.010 761 H THR 102 H THR 102 1.686 -15.021 -3.457 762 HA THR 102 HA THR 102 2.893 -13.469 -5.655 763 HB THR 102 HB THR 102 0.040 -14.460 -5.485 764 HG1 THR 102 1HG THR 102 2.187 -15.725 -6.277 765 HG21 THR 102 1HG2 THR 102 -0.496 -13.044 -7.128 766 HG22 THR 102 2HG2 THR 102 0.941 -13.475 -8.056 767 HG23 THR 102 3HG2 THR 102 1.035 -12.228 -6.813 768 H LEU 103 H LEU 103 3.126 -11.433 -5.007 769 HA LEU 103 HA LEU 103 1.237 -10.284 -3.100 770 HB2 LEU 103 1HB LEU 103 3.658 -10.047 -2.711 771 HB3 LEU 103 2HB LEU 103 3.797 -9.152 -4.223 772 HG LEU 103 HG LEU 103 2.225 -7.447 -3.207 773 HD11 LEU 103 1HD1 LEU 103 2.030 -7.402 -0.794 774 HD12 LEU 103 2HD1 LEU 103 2.933 -8.911 -0.668 775 HD13 LEU 103 3HD1 LEU 103 1.343 -8.897 -1.429 776 HD21 LEU 103 1HD2 LEU 103 5.017 -7.990 -2.310 777 HD22 LEU 103 2HD2 LEU 103 4.126 -6.649 -1.589 778 HD23 LEU 103 3HD2 LEU 103 4.392 -6.695 -3.332 779 H LEU 104 H LEU 104 -0.573 -9.628 -4.118 780 HA LEU 104 HA LEU 104 -0.304 -8.050 -6.580 781 HB2 LEU 104 1HB LEU 104 -1.825 -9.707 -7.048 782 HB3 LEU 104 2HB LEU 104 -2.471 -9.724 -5.408 783 HG LEU 104 HG LEU 104 -3.536 -7.490 -5.951 784 HD11 LEU 104 1HD1 LEU 104 -1.988 -7.289 -8.032 785 HD12 LEU 104 2HD1 LEU 104 -3.646 -6.695 -8.110 786 HD13 LEU 104 3HD1 LEU 104 -3.235 -8.256 -8.820 787 HD21 LEU 104 1HD2 LEU 104 -5.376 -8.701 -6.220 788 HD22 LEU 104 2HD2 LEU 104 -4.357 -10.123 -6.443 789 HD23 LEU 104 3HD2 LEU 104 -4.878 -9.183 -7.842 790 H LYS 105 H LYS 105 -0.745 -5.936 -6.609 791 HA LYS 105 HA LYS 105 -1.566 -4.670 -4.111 792 HB2 LYS 105 1HB LYS 105 0.442 -3.846 -5.315 793 HB3 LYS 105 2HB LYS 105 -0.580 -3.412 -6.679 794 HG2 LYS 105 1HG LYS 105 -1.703 -1.743 -5.411 795 HG3 LYS 105 2HG LYS 105 -0.946 -2.289 -3.913 796 HD2 LYS 105 1HD LYS 105 1.178 -1.496 -4.587 797 HD3 LYS 105 2HD LYS 105 0.645 -1.267 -6.254 798 HE2 LYS 105 1HE LYS 105 -0.966 0.457 -5.391 799 HE3 LYS 105 2HE LYS 105 -0.170 0.317 -3.824 800 HZ1 LYS 105 1HZ LYS 105 1.912 0.977 -4.877 801 HZ2 LYS 105 2HZ LYS 105 0.723 2.163 -5.080 802 HZ3 LYS 105 3HZ LYS 105 1.126 1.141 -6.367 803 H TYR 106 H TYR 106 -3.773 -5.037 -4.043 804 HA TYR 106 HA TYR 106 -5.653 -4.917 -6.001 805 HB2 TYR 106 1HB TYR 106 -5.839 -5.226 -3.380 806 HB3 TYR 106 2HB TYR 106 -6.296 -3.527 -3.436 807 HD1 TYR 106 2HD TYR 106 -7.100 -6.648 -5.343 808 HD2 TYR 106 1HD TYR 106 -8.558 -3.122 -3.460 809 HE1 TYR 106 2HE TYR 106 -9.400 -7.292 -5.931 810 HE2 TYR 106 1HE TYR 106 -10.862 -3.757 -4.042 811 HH TYR 106 HH TYR 106 -11.671 -6.865 -5.213 812 H GLY 107 H GLY 107 -5.818 -3.463 -7.583 813 HA2 GLY 107 1HA GLY 107 -6.885 -1.215 -7.933 814 HA3 GLY 107 2HA GLY 107 -5.636 -0.605 -6.857 815 H THR 108 H THR 108 -3.605 -2.410 -8.021 816 HA THR 108 HA THR 108 -3.314 -1.229 -10.697 817 HB THR 108 HB THR 108 -0.957 -0.743 -10.287 818 HG1 THR 108 1HG THR 108 -1.545 -1.942 -7.811 819 HG21 THR 108 1HG2 THR 108 -1.679 1.285 -9.716 820 HG22 THR 108 2HG2 THR 108 -1.725 0.768 -8.031 821 HG23 THR 108 3HG2 THR 108 -3.158 0.600 -9.044 822 HA PRO 109 HA PRO 109 -2.157 -5.285 -11.941 823 HB2 PRO 109 1HB PRO 109 -0.643 -4.693 -14.115 824 HB3 PRO 109 2HB PRO 109 -2.404 -4.541 -14.101 825 HG2 PRO 109 1HG PRO 109 -0.317 -2.424 -13.749 826 HG3 PRO 109 2HG PRO 109 -1.815 -2.372 -14.698 827 HD2 PRO 109 1HD PRO 109 -1.601 -1.236 -12.249 828 HD3 PRO 109 2HD PRO 109 -3.119 -1.935 -12.848 829 H GLN 110 H GLN 110 -0.044 -3.138 -10.553 830 HA GLN 110 HA GLN 110 2.430 -4.492 -11.081 831 HB2 GLN 110 1HB GLN 110 1.549 -2.225 -9.367 832 HB3 GLN 110 2HB GLN 110 3.039 -3.048 -8.923 833 HG2 GLN 110 1HG GLN 110 3.571 -2.698 -11.487 834 HG3 GLN 110 2HG GLN 110 2.424 -1.374 -11.291 835 HE21 GLN 110 1HE2 GLN 110 2.892 -0.277 -8.978 836 HE22 GLN 110 2HE2 GLN 110 4.526 0.258 -8.814 837 H LYS 111 H LYS 111 2.912 -6.417 -10.280 838 HA LYS 111 HA LYS 111 2.206 -7.006 -7.492 839 HB2 LYS 111 1HB LYS 111 1.601 -9.303 -8.098 840 HB3 LYS 111 2HB LYS 111 0.554 -8.137 -8.895 841 HG2 LYS 111 1HG LYS 111 0.976 -9.508 -10.650 842 HG3 LYS 111 2HG LYS 111 2.340 -8.403 -10.828 843 HD2 LYS 111 1HD LYS 111 3.425 -10.419 -10.957 844 HD3 LYS 111 2HD LYS 111 3.516 -10.124 -9.219 845 HE2 LYS 111 1HE LYS 111 2.817 -12.439 -9.839 846 HE3 LYS 111 2HE LYS 111 1.673 -11.585 -8.804 847 HZ1 LYS 111 1HZ LYS 111 0.120 -11.525 -10.416 848 HZ2 LYS 111 2HZ LYS 111 0.958 -12.871 -11.007 849 HZ3 LYS 111 3HZ LYS 111 1.242 -11.340 -11.669 850 H LEU 112 H LEU 112 3.448 -8.931 -6.659 851 HA LEU 112 HA LEU 112 6.092 -9.129 -7.934 852 HB2 LEU 112 1HB LEU 112 5.649 -9.003 -4.960 853 HB3 LEU 112 2HB LEU 112 7.187 -8.980 -5.821 854 HG LEU 112 HG LEU 112 5.125 -6.782 -5.729 855 HD11 LEU 112 1HD1 LEU 112 7.088 -7.406 -3.926 856 HD12 LEU 112 2HD1 LEU 112 6.374 -5.811 -4.155 857 HD13 LEU 112 3HD1 LEU 112 7.884 -6.225 -4.966 858 HD21 LEU 112 1HD2 LEU 112 5.906 -6.190 -7.733 859 HD22 LEU 112 2HD2 LEU 112 7.228 -7.355 -7.656 860 HD23 LEU 112 3HD2 LEU 112 7.403 -5.771 -6.900 861 H VAL 113 H VAL 113 6.593 -11.158 -8.399 862 HA VAL 113 HA VAL 113 5.082 -13.342 -7.244 863 HB VAL 113 HB VAL 113 7.384 -13.875 -9.047 864 HG11 VAL 113 1HG1 VAL 113 6.336 -15.828 -9.146 865 HG12 VAL 113 2HG1 VAL 113 5.024 -15.196 -8.149 866 HG13 VAL 113 3HG1 VAL 113 4.955 -15.038 -9.905 867 HG21 VAL 113 1HG2 VAL 113 5.602 -13.365 -10.938 868 HG22 VAL 113 2HG2 VAL 113 5.049 -12.178 -9.757 869 HG23 VAL 113 3HG2 VAL 113 6.709 -12.125 -10.349 870 H GLU 114 H GLU 114 6.478 -15.412 -6.808 871 HA GLU 114 HA GLU 114 7.647 -15.367 -4.425 872 HB2 GLU 114 1HB GLU 114 8.983 -16.949 -6.610 873 HB3 GLU 114 2HB GLU 114 8.777 -17.383 -4.919 874 HG2 GLU 114 1HG GLU 114 6.282 -17.411 -5.389 875 HG3 GLU 114 2HG GLU 114 6.716 -17.350 -7.096 876 H SER 115 H SER 115 9.622 -15.040 -7.381 877 HA SER 115 HA SER 115 12.010 -14.382 -6.084 878 HB2 SER 115 1HB SER 115 11.538 -15.001 -8.579 879 HB3 SER 115 2HB SER 115 11.348 -13.261 -8.790 880 HG SER 115 HG SER 115 13.621 -14.750 -8.333 881 H GLU 116 H GLU 116 9.545 -12.257 -7.521 882 HA GLU 116 HA GLU 116 10.835 -9.841 -6.793 883 HB2 GLU 116 1HB GLU 116 7.883 -10.236 -7.295 884 HB3 GLU 116 2HB GLU 116 8.797 -8.742 -7.446 885 HG2 GLU 116 1HG GLU 116 10.132 -9.907 -9.255 886 HG3 GLU 116 2HG GLU 116 8.900 -11.167 -9.209 887 H CYS 117 H CYS 117 9.187 -12.141 -4.965 888 HA CYS 117 HA CYS 117 8.255 -10.262 -2.948 889 HB2 CYS 117 1HB CYS 117 8.003 -13.229 -3.338 890 HB3 CYS 117 2HB CYS 117 7.658 -12.507 -1.771 891 HG CYS 117 HG CYS 117 5.907 -12.304 -4.652 892 H CYS 118 H CYS 118 11.052 -12.030 -3.674 893 HA CYS 118 HA CYS 118 11.967 -11.972 -0.884 894 HB2 CYS 118 1HB CYS 118 12.294 -14.134 -1.774 895 HB3 CYS 118 2HB CYS 118 12.888 -13.505 -3.306 896 HG CYS 118 HG CYS 118 15.376 -13.605 -2.701 897 H GLN 119 H GLN 119 12.149 -10.228 -3.734 898 HA GLN 119 HA GLN 119 14.833 -9.198 -3.214 899 HB2 GLN 119 1HB GLN 119 12.924 -9.041 -5.507 900 HB3 GLN 119 2HB GLN 119 14.145 -7.786 -5.334 901 HG2 GLN 119 1HG GLN 119 14.633 -9.861 -6.799 902 HG3 GLN 119 2HG GLN 119 15.886 -9.230 -5.731 903 HE21 GLN 119 1HE2 GLN 119 14.053 -11.921 -6.605 904 HE22 GLN 119 2HE2 GLN 119 14.544 -12.982 -5.334 905 H SER 120 H SER 120 14.653 -7.918 -1.421 906 HA SER 120 HA SER 120 12.610 -6.252 -0.667 907 HB2 SER 120 1HB SER 120 14.687 -4.797 0.220 908 HB3 SER 120 2HB SER 120 14.203 -6.317 0.972 909 HG SER 120 HG SER 120 16.137 -6.121 -1.093 910 H SER 121 H SER 121 15.201 -5.598 -2.968 911 HA SER 121 HA SER 121 14.897 -2.885 -3.353 912 HB2 SER 121 1HB SER 121 15.818 -5.142 -5.058 913 HB3 SER 121 2HB SER 121 15.455 -3.620 -5.872 914 HG SER 121 HG SER 121 17.325 -2.976 -5.195 915 H LEU 122 H LEU 122 12.862 -5.501 -4.451 916 HA LEU 122 HA LEU 122 11.283 -3.755 -6.154 917 HB2 LEU 122 1HB LEU 122 11.128 -6.677 -5.470 918 HB3 LEU 122 2HB LEU 122 9.888 -5.862 -6.421 919 HG LEU 122 HG LEU 122 12.792 -5.990 -7.220 920 HD11 LEU 122 1HD1 LEU 122 10.643 -7.967 -7.459 921 HD12 LEU 122 2HD1 LEU 122 12.390 -8.164 -7.587 922 HD13 LEU 122 3HD1 LEU 122 11.465 -7.588 -8.973 923 HD21 LEU 122 1HD2 LEU 122 10.303 -4.883 -8.405 924 HD22 LEU 122 2HD2 LEU 122 11.481 -5.619 -9.491 925 HD23 LEU 122 3HD2 LEU 122 11.956 -4.269 -8.459 926 H VAL 123 H VAL 123 10.868 -5.623 -3.164 927 HA VAL 123 HA VAL 123 8.211 -5.086 -2.631 928 HB VAL 123 HB VAL 123 10.478 -5.300 -0.645 929 HG11 VAL 123 1HG1 VAL 123 8.915 -5.604 1.063 930 HG12 VAL 123 2HG1 VAL 123 8.268 -4.250 0.134 931 HG13 VAL 123 3HG1 VAL 123 7.589 -5.865 -0.070 932 HG21 VAL 123 1HG2 VAL 123 10.459 -7.309 -1.825 933 HG22 VAL 123 2HG2 VAL 123 9.445 -7.650 -0.423 934 HG23 VAL 123 3HG2 VAL 123 8.703 -7.310 -1.986 935 H GLU 124 H GLU 124 11.048 -3.177 -1.636 936 HA GLU 124 HA GLU 124 9.532 -1.123 -0.398 937 HB2 GLU 124 1HB GLU 124 11.594 0.084 -0.227 938 HB3 GLU 124 2HB GLU 124 11.942 -1.614 0.063 939 HG2 GLU 124 1HG GLU 124 12.762 -1.843 -2.223 940 HG3 GLU 124 2HG GLU 124 12.409 -0.142 -2.520 941 H MET 125 H MET 125 10.124 -1.884 -3.648 942 HA MET 125 HA MET 125 9.900 0.817 -4.651 943 HB2 MET 125 1HB MET 125 11.264 -0.864 -5.831 944 HB3 MET 125 2HB MET 125 9.819 -1.823 -6.122 945 HG2 MET 125 1HG MET 125 8.897 0.192 -7.345 946 HG3 MET 125 2HG MET 125 10.526 0.860 -7.262 947 HE1 MET 125 1HE MET 125 9.063 -2.796 -9.531 948 HE2 MET 125 2HE MET 125 8.280 -1.918 -8.218 949 HE3 MET 125 3HE MET 125 8.305 -1.235 -9.845 950 H ILE 126 H ILE 126 7.930 -2.140 -4.995 951 HA ILE 126 HA ILE 126 5.728 -1.031 -6.229 952 HB ILE 126 HB ILE 126 6.076 -3.466 -5.814 953 HG12 ILE 126 1HG1 ILE 126 3.373 -2.772 -4.733 954 HG13 ILE 126 2HG1 ILE 126 3.814 -2.219 -6.345 955 HG21 ILE 126 1HG2 ILE 126 5.088 -4.312 -3.624 956 HG22 ILE 126 2HG2 ILE 126 6.694 -3.588 -3.554 957 HG23 ILE 126 3HG2 ILE 126 5.287 -2.663 -3.030 958 HD11 ILE 126 1HD1 ILE 126 4.513 -4.793 -6.553 959 HD12 ILE 126 2HD1 ILE 126 3.215 -4.929 -5.367 960 HD13 ILE 126 3HD1 ILE 126 2.902 -4.186 -6.936 961 H PHE 127 H PHE 127 6.716 -0.800 -2.904 962 HA PHE 127 HA PHE 127 4.163 0.270 -2.034 963 HB2 PHE 127 1HB PHE 127 6.790 -0.167 -0.609 964 HB3 PHE 127 2HB PHE 127 5.385 0.564 0.158 965 HD1 PHE 127 2HD PHE 127 3.155 -0.997 -0.674 966 HD2 PHE 127 1HD PHE 127 7.114 -2.278 0.220 967 HE1 PHE 127 2HE PHE 127 2.300 -3.234 -0.110 968 HE2 PHE 127 1HE PHE 127 6.266 -4.518 0.785 969 HZ PHE 127 HZ PHE 127 3.856 -4.998 0.621 970 H SER 128 H SER 128 7.179 1.418 -3.223 971 HA SER 128 HA SER 128 6.896 4.083 -2.145 972 HB2 SER 128 1HB SER 128 8.907 4.592 -3.474 973 HB3 SER 128 2HB SER 128 9.133 3.138 -2.502 974 HG SER 128 HG SER 128 9.794 3.070 -4.806 975 H GLU 129 H GLU 129 7.264 2.989 -5.518 976 HA GLU 129 HA GLU 129 6.022 5.307 -6.579 977 HB2 GLU 129 1HB GLU 129 7.676 3.635 -7.693 978 HB3 GLU 129 2HB GLU 129 6.228 2.720 -8.086 979 HG2 GLU 129 1HG GLU 129 6.433 3.967 -9.974 980 HG3 GLU 129 2HG GLU 129 5.408 5.034 -9.016 981 H ASP 130 H ASP 130 3.943 5.766 -6.319 982 HA ASP 130 HA ASP 130 1.958 3.793 -5.777 983 HB2 ASP 130 1HB ASP 130 0.410 5.603 -5.656 984 HB3 ASP 130 2HB ASP 130 1.925 6.191 -4.975 Start of MODEL 15 1 H1 GLY 1 H GLY 1 2.667 22.832 20.909 2 HA2 GLY 1 1HA GLY 1 4.486 20.912 19.688 3 HA3 GLY 1 2HA GLY 1 2.802 20.797 19.199 4 H SER 2 H SER 2 4.241 21.212 17.139 5 HA SER 2 HA SER 2 4.300 24.122 16.670 6 HB2 SER 2 1HB SER 2 6.037 21.896 15.655 7 HB3 SER 2 2HB SER 2 5.844 23.362 14.695 8 HG SER 2 HG SER 2 7.239 22.955 17.021 9 H GLU 3 H GLU 3 2.874 24.908 15.273 10 HA GLU 3 HA GLU 3 0.811 23.535 14.130 11 HB2 GLU 3 1HB GLU 3 2.166 26.041 13.126 12 HB3 GLU 3 2HB GLU 3 0.628 25.448 12.514 13 HG2 GLU 3 1HG GLU 3 1.208 26.306 15.339 14 HG3 GLU 3 2HG GLU 3 0.286 27.208 14.137 15 H GLY 4 H GLY 4 0.315 22.889 11.955 16 HA2 GLY 4 1HA GLY 4 0.799 22.061 9.841 17 HA3 GLY 4 2HA GLY 4 2.464 22.581 10.050 18 H ALA 5 H ALA 5 0.215 19.982 10.365 19 HA ALA 5 HA ALA 5 2.454 18.175 10.975 20 HB1 ALA 5 1HB ALA 5 0.748 18.698 12.900 21 HB2 ALA 5 2HB ALA 5 -0.251 17.526 12.040 22 HB3 ALA 5 3HB ALA 5 1.340 17.057 12.638 23 H ALA 6 H ALA 6 1.999 15.902 10.360 24 HA ALA 6 HA ALA 6 -0.139 15.327 8.553 25 HB1 ALA 6 1HB ALA 6 2.540 16.059 7.468 26 HB2 ALA 6 2HB ALA 6 1.590 14.813 6.658 27 HB3 ALA 6 3HB ALA 6 0.932 16.438 6.850 28 H THR 7 H THR 7 -0.522 13.201 8.585 29 HA THR 7 HA THR 7 1.335 11.474 9.990 30 HB THR 7 HB THR 7 -0.494 9.748 9.668 31 HG1 THR 7 1HG THR 7 -1.384 11.227 7.858 32 HG21 THR 7 1HG2 THR 7 -1.295 10.400 11.655 33 HG22 THR 7 2HG2 THR 7 -1.928 11.908 10.994 34 HG23 THR 7 3HG2 THR 7 -0.241 11.804 11.496 35 H MET 8 H MET 8 2.613 9.965 9.101 36 HA MET 8 HA MET 8 2.936 9.904 6.256 37 HB2 MET 8 1HB MET 8 4.276 8.551 8.570 38 HB3 MET 8 2HB MET 8 4.580 7.987 6.933 39 HG2 MET 8 1HG MET 8 4.923 10.860 7.720 40 HG3 MET 8 2HG MET 8 6.207 9.668 7.912 41 HE1 MET 8 1HE MET 8 6.314 12.256 6.621 42 HE2 MET 8 2HE MET 8 7.112 12.061 5.060 43 HE3 MET 8 3HE MET 8 5.394 12.454 5.129 44 H ALA 9 H ALA 9 3.285 7.594 5.259 45 HA ALA 9 HA ALA 9 0.799 6.412 4.930 46 HB1 ALA 9 1HB ALA 9 3.363 6.075 3.861 47 HB2 ALA 9 2HB ALA 9 2.876 4.486 4.451 48 HB3 ALA 9 3HB ALA 9 1.859 5.347 3.296 49 H THR 10 H THR 10 -0.282 4.749 5.862 50 HA THR 10 HA THR 10 0.988 3.468 8.195 51 HB THR 10 HB THR 10 -1.564 3.194 8.869 52 HG1 THR 10 1HG THR 10 -2.874 4.583 7.925 53 HG21 THR 10 1HG2 THR 10 0.085 4.280 10.267 54 HG22 THR 10 2HG2 THR 10 -1.364 5.284 10.193 55 HG23 THR 10 3HG2 THR 10 0.057 5.714 9.242 56 H PHE 11 H PHE 11 1.140 1.325 8.125 57 HA PHE 11 HA PHE 11 -0.487 -0.119 6.141 58 HB2 PHE 11 1HB PHE 11 1.279 -1.571 5.752 59 HB3 PHE 11 2HB PHE 11 2.130 -0.059 6.055 60 HD1 PHE 11 1HD PHE 11 0.974 -3.161 7.741 61 HD2 PHE 11 2HD PHE 11 3.766 0.051 7.694 62 HE1 PHE 11 1HE PHE 11 2.249 -4.247 9.544 63 HE2 PHE 11 2HE PHE 11 5.046 -1.030 9.496 64 HZ PHE 11 HZ PHE 11 4.288 -3.182 10.422 65 H GLU 12 H GLU 12 -1.232 -2.253 6.694 66 HA GLU 12 HA GLU 12 -1.294 -2.886 9.550 67 HB2 GLU 12 1HB GLU 12 -3.317 -1.684 9.369 68 HB3 GLU 12 2HB GLU 12 -3.694 -2.392 7.804 69 HG2 GLU 12 1HG GLU 12 -3.889 -4.609 9.005 70 HG3 GLU 12 2HG GLU 12 -3.838 -3.688 10.506 71 H GLU 13 H GLU 13 -1.357 -5.041 10.005 72 HA GLU 13 HA GLU 13 -1.154 -6.841 7.700 73 HB2 GLU 13 1HB GLU 13 0.595 -6.622 9.659 74 HB3 GLU 13 2HB GLU 13 -0.520 -7.694 10.494 75 HG2 GLU 13 1HG GLU 13 1.150 -8.210 8.080 76 HG3 GLU 13 2HG GLU 13 0.978 -9.165 9.552 77 H VAL 14 H VAL 14 -2.880 -7.989 7.173 78 HA VAL 14 HA VAL 14 -4.748 -8.790 9.310 79 HB VAL 14 HB VAL 14 -5.396 -8.108 6.439 80 HG11 VAL 14 1HG1 VAL 14 -6.692 -9.929 8.087 81 HG12 VAL 14 2HG1 VAL 14 -7.654 -8.455 8.213 82 HG13 VAL 14 3HG1 VAL 14 -7.341 -9.173 6.632 83 HG21 VAL 14 1HG2 VAL 14 -5.163 -6.074 7.546 84 HG22 VAL 14 2HG2 VAL 14 -6.889 -6.407 7.680 85 HG23 VAL 14 3HG2 VAL 14 -5.824 -6.706 9.054 86 H SER 15 H SER 15 -4.505 -10.890 9.693 87 HA SER 15 HA SER 15 -3.570 -12.694 7.633 88 HB2 SER 15 1HB SER 15 -2.633 -13.134 9.755 89 HB3 SER 15 2HB SER 15 -4.195 -13.008 10.565 90 HG SER 15 HG SER 15 -4.370 -15.072 10.286 91 H VAL 16 H VAL 16 -4.809 -13.916 6.374 92 HA VAL 16 HA VAL 16 -7.496 -14.661 7.255 93 HB VAL 16 HB VAL 16 -8.420 -14.092 5.002 94 HG11 VAL 16 1HG1 VAL 16 -9.171 -12.149 5.828 95 HG12 VAL 16 2HG1 VAL 16 -8.170 -12.534 7.230 96 HG13 VAL 16 3HG1 VAL 16 -7.549 -11.471 5.967 97 HG21 VAL 16 1HG2 VAL 16 -6.752 -13.800 3.485 98 HG22 VAL 16 2HG2 VAL 16 -6.960 -12.117 3.968 99 HG23 VAL 16 3HG2 VAL 16 -5.655 -13.079 4.662 100 H LEU 17 H LEU 17 -8.476 -16.317 5.810 101 HA LEU 17 HA LEU 17 -6.508 -17.871 4.295 102 HB2 LEU 17 1HB LEU 17 -6.734 -18.683 6.690 103 HB3 LEU 17 2HB LEU 17 -8.376 -19.162 6.266 104 HG LEU 17 HG LEU 17 -6.083 -20.188 4.649 105 HD11 LEU 17 1HD1 LEU 17 -5.252 -21.485 6.249 106 HD12 LEU 17 2HD1 LEU 17 -6.859 -22.000 6.759 107 HD13 LEU 17 3HD1 LEU 17 -6.162 -20.515 7.407 108 HD21 LEU 17 1HD2 LEU 17 -8.593 -20.489 4.151 109 HD22 LEU 17 2HD2 LEU 17 -8.569 -21.631 5.495 110 HD23 LEU 17 3HD2 LEU 17 -7.545 -21.906 4.085 111 H GLY 18 H GLY 18 -7.292 -18.659 2.435 112 HA2 GLY 18 1HA GLY 18 -8.874 -19.559 0.966 113 HA3 GLY 18 2HA GLY 18 -10.132 -19.209 2.142 114 H PHE 19 H PHE 19 -10.912 -18.639 -0.250 115 HA PHE 19 HA PHE 19 -10.154 -15.981 -1.087 116 HB2 PHE 19 1HB PHE 19 -10.752 -17.753 -2.723 117 HB3 PHE 19 2HB PHE 19 -12.398 -17.741 -2.096 118 HD1 PHE 19 2HD PHE 19 -13.596 -15.422 -2.133 119 HD2 PHE 19 1HD PHE 19 -10.223 -16.427 -4.526 120 HE1 PHE 19 2HE PHE 19 -14.181 -13.624 -3.707 121 HE2 PHE 19 1HE PHE 19 -10.802 -14.630 -6.104 122 HZ PHE 19 HZ PHE 19 -12.785 -13.227 -5.696 123 H GLU 20 H GLU 20 -12.859 -17.525 0.552 124 HA GLU 20 HA GLU 20 -14.687 -15.423 0.514 125 HB2 GLU 20 1HB GLU 20 -14.236 -17.458 2.705 126 HB3 GLU 20 2HB GLU 20 -15.675 -16.468 2.513 127 HG2 GLU 20 1HG GLU 20 -15.921 -17.536 0.224 128 HG3 GLU 20 2HG GLU 20 -14.699 -18.691 0.753 129 H GLU 21 H GLU 21 -12.587 -16.294 3.268 130 HA GLU 21 HA GLU 21 -13.016 -14.015 4.777 131 HB2 GLU 21 1HB GLU 21 -10.713 -15.930 4.591 132 HB3 GLU 21 2HB GLU 21 -10.615 -14.526 5.645 133 HG2 GLU 21 1HG GLU 21 -12.922 -15.409 6.518 134 HG3 GLU 21 2HG GLU 21 -12.345 -16.935 5.851 135 H PHE 22 H PHE 22 -10.516 -14.607 2.329 136 HA PHE 22 HA PHE 22 -9.026 -12.312 2.551 137 HB2 PHE 22 1HB PHE 22 -8.208 -13.850 1.006 138 HB3 PHE 22 2HB PHE 22 -9.765 -14.025 0.205 139 HD1 PHE 22 2HD PHE 22 -7.773 -10.987 1.016 140 HD2 PHE 22 1HD PHE 22 -9.444 -13.470 -2.010 141 HE1 PHE 22 2HE PHE 22 -7.067 -9.368 -0.697 142 HE2 PHE 22 1HE PHE 22 -8.740 -11.855 -3.728 143 HZ PHE 22 HZ PHE 22 -7.551 -9.801 -3.072 144 H ASP 23 H ASP 23 -11.774 -12.727 0.312 145 HA ASP 23 HA ASP 23 -11.970 -10.166 -0.642 146 HB2 ASP 23 1HB ASP 23 -13.359 -12.202 -1.287 147 HB3 ASP 23 2HB ASP 23 -14.397 -11.807 0.080 148 H LYS 24 H LYS 24 -13.672 -11.448 2.217 149 HA LYS 24 HA LYS 24 -15.006 -9.211 3.047 150 HB2 LYS 24 1HB LYS 24 -14.864 -11.586 4.093 151 HB3 LYS 24 2HB LYS 24 -13.553 -10.911 5.052 152 HG2 LYS 24 1HG LYS 24 -15.384 -10.635 6.427 153 HG3 LYS 24 2HG LYS 24 -15.252 -9.058 5.645 154 HD2 LYS 24 1HD LYS 24 -17.018 -9.595 4.119 155 HD3 LYS 24 2HD LYS 24 -17.053 -11.272 4.670 156 HE2 LYS 24 1HE LYS 24 -17.700 -10.437 6.930 157 HE3 LYS 24 2HE LYS 24 -17.820 -8.817 6.244 158 HZ1 LYS 24 1HZ LYS 24 -19.455 -9.797 4.631 159 HZ2 LYS 24 2HZ LYS 24 -19.982 -9.709 6.235 160 HZ3 LYS 24 3HZ LYS 24 -19.471 -11.189 5.594 161 H ALA 25 H ALA 25 -11.631 -10.048 3.776 162 HA ALA 25 HA ALA 25 -11.069 -7.804 5.375 163 HB1 ALA 25 1HB ALA 25 -8.970 -9.089 3.678 164 HB2 ALA 25 2HB ALA 25 -8.860 -8.483 5.331 165 HB3 ALA 25 3HB ALA 25 -9.717 -9.988 4.999 166 H VAL 26 H VAL 26 -10.913 -8.320 1.894 167 HA VAL 26 HA VAL 26 -9.562 -5.914 1.255 168 HB VAL 26 HB VAL 26 -11.395 -7.628 -0.425 169 HG11 VAL 26 1HG1 VAL 26 -11.266 -6.143 -2.073 170 HG12 VAL 26 2HG1 VAL 26 -10.522 -5.014 -0.939 171 HG13 VAL 26 3HG1 VAL 26 -9.510 -6.068 -1.928 172 HG21 VAL 26 1HG2 VAL 26 -9.575 -8.835 -1.060 173 HG22 VAL 26 2HG2 VAL 26 -8.464 -7.480 -0.856 174 HG23 VAL 26 3HG2 VAL 26 -9.035 -8.373 0.554 175 H LYS 27 H LYS 27 -12.969 -6.721 0.574 176 HA LYS 27 HA LYS 27 -13.911 -4.247 -0.056 177 HB2 LYS 27 1HB LYS 27 -15.364 -6.305 1.618 178 HB3 LYS 27 2HB LYS 27 -16.120 -4.992 0.723 179 HG2 LYS 27 1HG LYS 27 -14.454 -7.111 -0.603 180 HG3 LYS 27 2HG LYS 27 -16.193 -7.274 -0.349 181 HD2 LYS 27 1HD LYS 27 -16.502 -5.130 -1.588 182 HD3 LYS 27 2HD LYS 27 -14.775 -5.149 -1.953 183 HE2 LYS 27 1HE LYS 27 -14.961 -6.962 -3.369 184 HE3 LYS 27 2HE LYS 27 -16.443 -7.537 -2.607 185 HZ1 LYS 27 1HZ LYS 27 -17.172 -6.672 -4.606 186 HZ2 LYS 27 2HZ LYS 27 -16.099 -5.365 -4.569 187 HZ3 LYS 27 3HZ LYS 27 -17.444 -5.383 -3.545 188 H GLU 28 H GLU 28 -12.963 -5.387 3.078 189 HA GLU 28 HA GLU 28 -14.314 -3.463 4.651 190 HB2 GLU 28 1HB GLU 28 -12.039 -5.340 5.066 191 HB3 GLU 28 2HB GLU 28 -12.232 -4.022 6.214 192 HG2 GLU 28 1HG GLU 28 -14.322 -6.077 5.531 193 HG3 GLU 28 2HG GLU 28 -13.321 -6.061 6.982 194 H HIS 29 H HIS 29 -10.981 -3.583 3.409 195 HA HIS 29 HA HIS 29 -10.639 -0.765 4.137 196 HB2 HIS 29 1HB HIS 29 -8.462 -2.477 2.984 197 HB3 HIS 29 2HB HIS 29 -8.332 -1.103 4.078 198 HD1 HIS 29 1HD HIS 29 -9.338 -1.632 6.586 199 HD2 HIS 29 2HD HIS 29 -8.262 -4.875 4.223 200 HE1 HIS 29 1HE HIS 29 -9.074 -3.563 8.175 201 HE2 HIS 29 2HE HIS 29 -8.339 -5.493 6.733 202 H GLU 30 H GLU 30 -12.253 -1.777 1.838 203 HA GLU 30 HA GLU 30 -10.966 -1.402 -0.603 204 HB2 GLU 30 1HB GLU 30 -13.199 -0.959 -1.528 205 HB3 GLU 30 2HB GLU 30 -13.210 -2.339 -0.439 206 HG2 GLU 30 1HG GLU 30 -15.078 -1.285 0.287 207 HG3 GLU 30 2HG GLU 30 -13.890 -0.495 1.322 208 H SER 31 H SER 31 -11.779 0.873 1.816 209 HA SER 31 HA SER 31 -11.982 3.182 0.151 210 HB2 SER 31 1HB SER 31 -11.786 2.659 3.078 211 HB3 SER 31 2HB SER 31 -11.359 4.273 2.508 212 HG SER 31 HG SER 31 -13.459 4.526 2.662 213 H LYS 32 H LYS 32 -9.371 1.640 1.955 214 HA LYS 32 HA LYS 32 -7.479 3.550 0.752 215 HB2 LYS 32 1HB LYS 32 -5.937 2.938 2.577 216 HB3 LYS 32 2HB LYS 32 -7.443 3.618 3.181 217 HG2 LYS 32 1HG LYS 32 -7.255 0.667 2.939 218 HG3 LYS 32 2HG LYS 32 -6.354 1.455 4.236 219 HD2 LYS 32 1HD LYS 32 -8.676 2.691 4.586 220 HD3 LYS 32 2HD LYS 32 -9.288 1.223 3.821 221 HE2 LYS 32 1HE LYS 32 -9.323 0.564 6.007 222 HE3 LYS 32 2HE LYS 32 -7.690 0.062 5.571 223 HZ1 LYS 32 1HZ LYS 32 -8.444 1.812 7.590 224 HZ2 LYS 32 2HZ LYS 32 -7.658 2.749 6.421 225 HZ3 LYS 32 3HZ LYS 32 -6.873 1.414 7.102 226 H THR 33 H THR 33 -5.307 2.630 0.261 227 HA THR 33 HA THR 33 -5.420 0.621 -1.618 228 HB THR 33 HB THR 33 -3.032 1.428 0.053 229 HG1 THR 33 1HG THR 33 -3.267 3.176 -1.119 230 HG21 THR 33 1HG2 THR 33 -2.539 -0.684 -0.957 231 HG22 THR 33 2HG2 THR 33 -1.734 0.559 -1.914 232 HG23 THR 33 3HG2 THR 33 -3.229 -0.172 -2.496 233 H ILE 34 H ILE 34 -4.853 -1.566 -1.659 234 HA ILE 34 HA ILE 34 -4.600 -2.902 0.947 235 HB ILE 34 HB ILE 34 -6.448 -3.763 -1.281 236 HG12 ILE 34 1HG1 ILE 34 -7.224 -3.124 1.554 237 HG13 ILE 34 2HG1 ILE 34 -7.105 -1.853 0.342 238 HG21 ILE 34 1HG2 ILE 34 -5.791 -5.792 -0.469 239 HG22 ILE 34 2HG2 ILE 34 -5.406 -5.153 1.128 240 HG23 ILE 34 3HG2 ILE 34 -7.086 -5.428 0.670 241 HD11 ILE 34 1HD1 ILE 34 -9.047 -4.096 0.552 242 HD12 ILE 34 2HD1 ILE 34 -9.328 -2.384 0.236 243 HD13 ILE 34 3HD1 ILE 34 -8.671 -3.418 -1.032 244 H PHE 35 H PHE 35 -3.393 -4.788 0.966 245 HA PHE 35 HA PHE 35 -2.118 -5.560 -1.569 246 HB2 PHE 35 1HB PHE 35 -0.824 -4.827 1.033 247 HB3 PHE 35 2HB PHE 35 -0.051 -6.009 -0.019 248 HD1 PHE 35 2HD PHE 35 0.643 -5.346 -2.310 249 HD2 PHE 35 1HD PHE 35 -0.770 -2.519 0.542 250 HE1 PHE 35 2HE PHE 35 1.628 -3.522 -3.635 251 HE2 PHE 35 1HE PHE 35 0.212 -0.690 -0.780 252 HZ PHE 35 HZ PHE 35 1.414 -1.191 -2.871 253 H ALA 36 H ALA 36 -2.724 -7.577 -1.973 254 HA ALA 36 HA ALA 36 -3.247 -9.411 0.245 255 HB1 ALA 36 1HB ALA 36 -4.102 -9.248 -2.586 256 HB2 ALA 36 2HB ALA 36 -3.955 -10.856 -1.877 257 HB3 ALA 36 3HB ALA 36 -5.026 -9.664 -1.142 258 H TYR 37 H TYR 37 -1.942 -11.056 0.756 259 HA TYR 37 HA TYR 37 0.322 -11.620 -1.044 260 HB2 TYR 37 1HB TYR 37 0.989 -10.623 1.107 261 HB3 TYR 37 2HB TYR 37 0.181 -11.931 1.963 262 HD1 TYR 37 1HD TYR 37 2.641 -11.654 -0.847 263 HD2 TYR 37 2HD TYR 37 1.608 -13.502 2.843 264 HE1 TYR 37 1HE TYR 37 4.708 -12.984 -0.942 265 HE2 TYR 37 2HE TYR 37 3.673 -14.837 2.759 266 HH TYR 37 HH TYR 37 5.379 -15.423 0.187 267 H PHE 38 H PHE 38 -0.865 -13.201 -2.200 268 HA PHE 38 HA PHE 38 -2.073 -15.434 -0.898 269 HB2 PHE 38 1HB PHE 38 -1.173 -15.350 -3.775 270 HB3 PHE 38 2HB PHE 38 -2.487 -16.290 -3.075 271 HD1 PHE 38 1HD PHE 38 -4.378 -14.848 -1.938 272 HD2 PHE 38 2HD PHE 38 -1.686 -13.425 -4.912 273 HE1 PHE 38 1HE PHE 38 -5.966 -13.059 -2.514 274 HE2 PHE 38 2HE PHE 38 -3.270 -11.633 -5.492 275 HZ PHE 38 HZ PHE 38 -5.412 -11.448 -4.292 276 H SER 39 H SER 39 -1.012 -17.011 0.084 277 HA SER 39 HA SER 39 1.309 -18.213 -1.186 278 HB2 SER 39 1HB SER 39 2.777 -17.987 0.692 279 HB3 SER 39 2HB SER 39 2.159 -16.375 0.331 280 HG SER 39 HG SER 39 1.830 -17.915 2.565 281 H GLY 40 H GLY 40 2.036 -20.188 0.081 282 HA2 GLY 40 1HA GLY 40 -0.155 -21.914 0.441 283 HA3 GLY 40 2HA GLY 40 1.506 -22.267 0.895 284 H SER 41 H SER 41 -0.494 -23.263 2.428 285 HA SER 41 HA SER 41 -0.989 -21.482 4.659 286 HB2 SER 41 1HB SER 41 -2.758 -23.022 3.970 287 HB3 SER 41 2HB SER 41 -1.694 -24.399 4.253 288 HG SER 41 HG SER 41 -2.425 -24.346 6.214 289 H LYS 42 H LYS 42 -0.192 -21.726 6.740 290 HA LYS 42 HA LYS 42 2.447 -22.839 6.920 291 HB2 LYS 42 1HB LYS 42 0.852 -21.809 9.252 292 HB3 LYS 42 2HB LYS 42 2.595 -21.787 9.020 293 HG2 LYS 42 1HG LYS 42 2.376 -20.094 7.302 294 HG3 LYS 42 2HG LYS 42 0.617 -20.154 7.441 295 HD2 LYS 42 1HD LYS 42 1.096 -19.619 9.958 296 HD3 LYS 42 2HD LYS 42 2.637 -19.028 9.332 297 HE2 LYS 42 1HE LYS 42 1.284 -17.135 9.315 298 HE3 LYS 42 2HE LYS 42 1.205 -17.709 7.650 299 HZ1 LYS 42 1HZ LYS 42 -0.826 -18.344 9.718 300 HZ2 LYS 42 2HZ LYS 42 -0.919 -18.677 8.062 301 HZ3 LYS 42 3HZ LYS 42 -0.973 -17.076 8.607 302 H ASP 43 H ASP 43 3.121 -24.325 8.626 303 HA ASP 43 HA ASP 43 1.202 -26.508 8.898 304 HB2 ASP 43 1HB ASP 43 3.055 -27.929 9.326 305 HB3 ASP 43 2HB ASP 43 3.565 -26.853 8.028 306 H THR 44 H THR 44 1.865 -27.828 11.088 307 HA THR 44 HA THR 44 0.600 -26.489 13.168 308 HB THR 44 HB THR 44 0.794 -28.925 13.119 309 HG1 THR 44 1HG THR 44 2.169 -28.118 15.452 310 HG21 THR 44 1HG2 THR 44 2.821 -30.089 13.542 311 HG22 THR 44 2HG2 THR 44 3.672 -28.599 13.949 312 HG23 THR 44 3HG2 THR 44 3.183 -28.908 12.284 313 H GLU 45 H GLU 45 3.748 -26.076 12.010 314 HA GLU 45 HA GLU 45 4.819 -25.130 14.549 315 HB2 GLU 45 1HB GLU 45 6.078 -26.454 12.653 316 HB3 GLU 45 2HB GLU 45 6.274 -24.855 11.951 317 HG2 GLU 45 1HG GLU 45 8.211 -25.137 13.176 318 HG3 GLU 45 2HG GLU 45 7.193 -24.184 14.253 319 H GLY 46 H GLY 46 3.382 -23.907 11.654 320 HA2 GLY 46 1HA GLY 46 2.442 -21.722 11.563 321 HA3 GLY 46 2HA GLY 46 3.649 -21.186 12.723 322 H LYS 47 H LYS 47 4.355 -23.097 9.863 323 HA LYS 47 HA LYS 47 5.458 -20.734 8.527 324 HB2 LYS 47 1HB LYS 47 7.582 -21.753 8.136 325 HB3 LYS 47 2HB LYS 47 7.259 -21.870 9.861 326 HG2 LYS 47 1HG LYS 47 6.730 -24.178 9.692 327 HG3 LYS 47 2HG LYS 47 6.719 -24.109 7.928 328 HD2 LYS 47 1HD LYS 47 8.793 -25.033 8.348 329 HD3 LYS 47 2HD LYS 47 9.187 -23.317 8.222 330 HE2 LYS 47 1HE LYS 47 10.288 -23.820 10.157 331 HE3 LYS 47 2HE LYS 47 8.715 -23.385 10.822 332 HZ1 LYS 47 1HZ LYS 47 8.132 -25.699 10.952 333 HZ2 LYS 47 2HZ LYS 47 9.604 -25.459 11.750 334 HZ3 LYS 47 3HZ LYS 47 9.581 -26.159 10.210 335 H SER 48 H SER 48 5.308 -20.773 6.336 336 HA SER 48 HA SER 48 3.537 -22.630 5.139 337 HB2 SER 48 1HB SER 48 4.098 -20.156 4.487 338 HB3 SER 48 2HB SER 48 5.369 -20.895 3.514 339 HG SER 48 HG SER 48 2.785 -20.673 2.947 340 H TRP 49 H TRP 49 3.887 -24.388 3.880 341 HA TRP 49 HA TRP 49 6.108 -25.968 4.187 342 HB2 TRP 49 1HB TRP 49 5.320 -26.961 1.883 343 HB3 TRP 49 2HB TRP 49 4.303 -27.113 3.313 344 HD1 TRP 49 HD TRP 49 2.083 -25.593 3.407 345 HE1 TRP 49 1HE TRP 49 0.716 -24.460 1.544 346 HE3 TRP 49 3HE TRP 49 5.523 -25.809 -0.368 347 HZ2 TRP 49 2HZ TRP 49 1.051 -23.752 -1.168 348 HZ3 TRP 49 3HZ TRP 49 4.921 -24.882 -2.567 349 HH2 TRP 49 HH TRP 49 2.731 -23.875 -2.956 350 H CYS 50 H CYS 50 5.641 -23.323 1.980 351 HA CYS 50 HA CYS 50 7.949 -23.980 0.370 352 HB2 CYS 50 1HB CYS 50 5.864 -22.790 -0.477 353 HB3 CYS 50 2HB CYS 50 6.437 -21.369 0.388 354 HG CYS 50 HG CYS 50 7.934 -22.905 -2.271 355 HA PRO 51 HA PRO 51 10.884 -22.002 3.015 356 HB2 PRO 51 1HB PRO 51 12.933 -21.870 1.239 357 HB3 PRO 51 2HB PRO 51 12.446 -23.372 2.034 358 HG2 PRO 51 1HG PRO 51 11.783 -22.382 -0.712 359 HG3 PRO 51 2HG PRO 51 12.251 -24.012 -0.193 360 HD2 PRO 51 1HD PRO 51 9.678 -23.319 -0.674 361 HD3 PRO 51 2HD PRO 51 10.130 -24.520 0.553 362 H ASP 52 H ASP 52 10.743 -20.804 -0.345 363 HA ASP 52 HA ASP 52 11.845 -18.315 -0.008 364 HB2 ASP 52 1HB ASP 52 9.674 -19.316 -1.827 365 HB3 ASP 52 2HB ASP 52 10.155 -17.622 -1.861 366 H CYS 53 H CYS 53 8.334 -18.960 0.065 367 HA CYS 53 HA CYS 53 7.335 -16.570 0.784 368 HB2 CYS 53 1HB CYS 53 6.048 -18.718 0.525 369 HB3 CYS 53 2HB CYS 53 6.507 -19.121 2.175 370 HG CYS 53 HG CYS 53 5.191 -16.889 3.287 371 H VAL 54 H VAL 54 8.369 -18.960 3.226 372 HA VAL 54 HA VAL 54 8.116 -17.427 5.486 373 HB VAL 54 HB VAL 54 10.318 -19.415 4.910 374 HG11 VAL 54 1HG1 VAL 54 9.392 -18.085 7.431 375 HG12 VAL 54 2HG1 VAL 54 10.163 -19.673 7.468 376 HG13 VAL 54 3HG1 VAL 54 11.033 -18.284 6.816 377 HG21 VAL 54 1HG2 VAL 54 8.138 -20.403 4.595 378 HG22 VAL 54 2HG2 VAL 54 8.837 -21.002 6.100 379 HG23 VAL 54 3HG2 VAL 54 7.586 -19.760 6.142 380 H GLU 55 H GLU 55 10.696 -17.364 3.102 381 HA GLU 55 HA GLU 55 12.269 -15.489 4.661 382 HB2 GLU 55 1HB GLU 55 13.229 -17.331 3.173 383 HB3 GLU 55 2HB GLU 55 12.774 -16.319 1.809 384 HG2 GLU 55 1HG GLU 55 14.923 -15.649 2.072 385 HG3 GLU 55 2HG GLU 55 14.132 -14.502 3.151 386 H ALA 56 H ALA 56 9.757 -15.383 2.380 387 HA ALA 56 HA ALA 56 10.444 -12.756 1.348 388 HB1 ALA 56 1HB ALA 56 8.744 -14.905 0.527 389 HB2 ALA 56 2HB ALA 56 7.806 -13.415 0.623 390 HB3 ALA 56 3HB ALA 56 9.255 -13.481 -0.379 391 H GLU 57 H GLU 57 8.455 -14.173 3.814 392 HA GLU 57 HA GLU 57 6.538 -12.226 4.232 393 HB2 GLU 57 1HB GLU 57 7.159 -14.521 5.480 394 HB3 GLU 57 2HB GLU 57 7.812 -13.383 6.650 395 HG2 GLU 57 1HG GLU 57 5.421 -14.170 6.987 396 HG3 GLU 57 2HG GLU 57 5.726 -12.436 7.078 397 HA PRO 58 HA PRO 58 9.706 -9.927 7.099 398 HB2 PRO 58 1HB PRO 58 12.323 -10.554 6.744 399 HB3 PRO 58 2HB PRO 58 11.285 -11.387 7.906 400 HG2 PRO 58 1HG PRO 58 12.103 -12.231 5.153 401 HG3 PRO 58 2HG PRO 58 12.006 -13.197 6.636 402 HD2 PRO 58 1HD PRO 58 10.081 -13.253 4.733 403 HD3 PRO 58 2HD PRO 58 9.724 -13.471 6.458 404 H VAL 59 H VAL 59 10.508 -10.794 3.807 405 HA VAL 59 HA VAL 59 11.945 -8.371 3.241 406 HB VAL 59 HB VAL 59 10.756 -10.324 1.269 407 HG11 VAL 59 1HG1 VAL 59 13.127 -9.225 0.292 408 HG12 VAL 59 2HG1 VAL 59 11.485 -8.860 -0.239 409 HG13 VAL 59 3HG1 VAL 59 12.250 -7.872 1.006 410 HG21 VAL 59 1HG2 VAL 59 12.633 -10.928 3.175 411 HG22 VAL 59 2HG2 VAL 59 12.420 -11.774 1.642 412 HG23 VAL 59 3HG2 VAL 59 13.624 -10.492 1.783 413 H ILE 60 H ILE 60 8.642 -9.468 3.016 414 HA ILE 60 HA ILE 60 7.817 -7.189 1.420 415 HB ILE 60 HB ILE 60 6.200 -9.396 2.698 416 HG12 ILE 60 1HG1 ILE 60 7.182 -8.902 -0.113 417 HG13 ILE 60 2HG1 ILE 60 7.517 -10.287 0.920 418 HG21 ILE 60 1HG2 ILE 60 4.314 -8.580 1.420 419 HG22 ILE 60 2HG2 ILE 60 4.922 -7.304 2.474 420 HG23 ILE 60 3HG2 ILE 60 5.298 -7.279 0.751 421 HD11 ILE 60 1HD1 ILE 60 5.138 -9.672 -0.723 422 HD12 ILE 60 2HD1 ILE 60 5.948 -11.210 -0.421 423 HD13 ILE 60 3HD1 ILE 60 4.878 -10.521 0.801 424 H ARG 61 H ARG 61 7.178 -8.444 4.692 425 HA ARG 61 HA ARG 61 5.606 -6.291 5.565 426 HB2 ARG 61 1HB ARG 61 7.341 -8.223 7.108 427 HB3 ARG 61 2HB ARG 61 6.246 -7.076 7.868 428 HG2 ARG 61 1HG ARG 61 4.490 -8.218 6.268 429 HG3 ARG 61 2HG ARG 61 5.648 -9.549 6.339 430 HD2 ARG 61 1HD ARG 61 4.850 -8.246 8.888 431 HD3 ARG 61 2HD ARG 61 3.681 -9.303 8.097 432 HE ARG 61 HE ARG 61 5.862 -10.843 8.116 433 HH11 ARG 61 2HH1 ARG 61 4.393 -8.913 10.614 434 HH12 ARG 61 1HH1 ARG 61 4.922 -9.943 11.902 435 HH21 ARG 61 2HH2 ARG 61 6.564 -12.207 9.804 436 HH22 ARG 61 1HH2 ARG 61 6.157 -11.817 11.440 437 H GLU 62 H GLU 62 8.974 -6.536 5.019 438 HA GLU 62 HA GLU 62 9.736 -4.430 6.833 439 HB2 GLU 62 1HB GLU 62 11.145 -6.087 4.780 440 HB3 GLU 62 2HB GLU 62 11.898 -4.601 5.341 441 HG2 GLU 62 1HG GLU 62 10.914 -6.627 7.302 442 HG3 GLU 62 2HG GLU 62 12.469 -6.837 6.499 443 H GLY 63 H GLY 63 9.312 -4.770 3.324 444 HA2 GLY 63 1HA GLY 63 10.031 -2.087 2.713 445 HA3 GLY 63 2HA GLY 63 9.171 -3.195 1.654 446 H LEU 64 H LEU 64 7.065 -3.584 3.742 447 HA LEU 64 HA LEU 64 5.224 -1.691 2.813 448 HB2 LEU 64 1HB LEU 64 5.269 -3.673 5.034 449 HB3 LEU 64 2HB LEU 64 3.985 -2.465 5.008 450 HG LEU 64 HG LEU 64 4.550 -4.321 2.704 451 HD11 LEU 64 1HD1 LEU 64 2.290 -4.714 4.614 452 HD12 LEU 64 2HD1 LEU 64 3.880 -5.382 4.982 453 HD13 LEU 64 3HD1 LEU 64 3.040 -5.864 3.507 454 HD21 LEU 64 1HD2 LEU 64 3.310 -2.214 2.253 455 HD22 LEU 64 2HD2 LEU 64 2.088 -2.732 3.414 456 HD23 LEU 64 3HD2 LEU 64 2.367 -3.672 1.947 457 H LYS 65 H LYS 65 7.610 -1.467 5.248 458 HA LYS 65 HA LYS 65 6.322 0.650 6.733 459 HB2 LYS 65 1HB LYS 65 9.163 -0.383 6.834 460 HB3 LYS 65 2HB LYS 65 8.460 0.767 7.964 461 HG2 LYS 65 1HG LYS 65 6.696 -1.110 8.349 462 HG3 LYS 65 2HG LYS 65 7.945 -2.155 7.668 463 HD2 LYS 65 1HD LYS 65 8.328 -2.226 9.976 464 HD3 LYS 65 2HD LYS 65 9.519 -1.070 9.375 465 HE2 LYS 65 1HE LYS 65 7.659 0.683 9.899 466 HE3 LYS 65 2HE LYS 65 7.021 -0.585 10.945 467 HZ1 LYS 65 1HZ LYS 65 8.488 0.896 12.156 468 HZ2 LYS 65 2HZ LYS 65 9.756 0.564 11.088 469 HZ3 LYS 65 3HZ LYS 65 9.151 -0.659 12.088 470 H HIS 66 H HIS 66 8.116 0.416 3.873 471 HA HIS 66 HA HIS 66 9.030 3.198 4.035 472 HB2 HIS 66 1HB HIS 66 9.676 1.017 2.041 473 HB3 HIS 66 2HB HIS 66 10.305 2.660 1.966 474 HD1 HIS 66 1HD HIS 66 12.611 2.769 2.816 475 HD2 HIS 66 2HD HIS 66 10.369 -0.086 4.836 476 HE1 HIS 66 1HE HIS 66 14.174 1.764 4.510 477 HE2 HIS 66 2HE HIS 66 12.820 -0.020 5.663 478 H VAL 67 H VAL 67 6.315 1.651 3.189 479 HA VAL 67 HA VAL 67 5.697 2.591 0.612 480 HB VAL 67 HB VAL 67 4.439 0.855 2.036 481 HG11 VAL 67 1HG1 VAL 67 2.497 2.889 2.825 482 HG12 VAL 67 2HG1 VAL 67 3.101 1.491 3.715 483 HG13 VAL 67 3HG1 VAL 67 4.026 2.993 3.697 484 HG21 VAL 67 1HG2 VAL 67 2.786 0.928 0.502 485 HG22 VAL 67 2HG2 VAL 67 2.419 2.623 0.820 486 HG23 VAL 67 3HG2 VAL 67 3.783 2.195 -0.212 487 H THR 68 H THR 68 4.347 4.327 -0.045 488 HA THR 68 HA THR 68 4.363 6.609 1.822 489 HB THR 68 HB THR 68 5.878 6.781 -0.210 490 HG1 THR 68 1HG THR 68 5.322 8.957 -0.473 491 HG21 THR 68 1HG2 THR 68 3.941 7.729 -2.042 492 HG22 THR 68 2HG2 THR 68 3.429 6.122 -1.526 493 HG23 THR 68 3HG2 THR 68 5.031 6.356 -2.225 494 H GLU 69 H GLU 69 2.280 4.498 1.204 495 HA GLU 69 HA GLU 69 0.066 6.370 0.896 496 HB2 GLU 69 1HB GLU 69 -1.078 4.807 -0.695 497 HB3 GLU 69 2HB GLU 69 0.324 5.631 -1.363 498 HG2 GLU 69 1HG GLU 69 1.634 3.700 -1.309 499 HG3 GLU 69 2HG GLU 69 0.539 2.882 -0.196 500 H ASP 70 H ASP 70 -1.490 5.969 2.329 501 HA ASP 70 HA ASP 70 -1.263 3.997 4.291 502 HB2 ASP 70 1HB ASP 70 -3.701 4.586 4.774 503 HB3 ASP 70 2HB ASP 70 -2.541 5.909 4.834 504 H CYS 71 H CYS 71 -1.187 1.899 3.707 505 HA CYS 71 HA CYS 71 -3.502 0.837 2.227 506 HB2 CYS 71 1HB CYS 71 -2.113 -0.742 1.104 507 HB3 CYS 71 2HB CYS 71 -1.337 0.827 0.926 508 HG CYS 71 HG CYS 71 -0.396 -1.526 3.227 509 H VAL 72 H VAL 72 -3.659 -1.634 2.582 510 HA VAL 72 HA VAL 72 -3.027 -2.298 5.378 511 HB VAL 72 HB VAL 72 -5.686 -2.762 4.021 512 HG11 VAL 72 1HG1 VAL 72 -4.469 -3.841 6.508 513 HG12 VAL 72 2HG1 VAL 72 -6.188 -3.442 6.527 514 HG13 VAL 72 3HG1 VAL 72 -5.564 -4.608 5.359 515 HG21 VAL 72 1HG2 VAL 72 -4.705 -0.796 6.032 516 HG22 VAL 72 2HG2 VAL 72 -5.820 -0.569 4.685 517 HG23 VAL 72 3HG2 VAL 72 -6.364 -1.381 6.153 518 H PHE 73 H PHE 73 -1.639 -3.940 5.227 519 HA PHE 73 HA PHE 73 -1.473 -5.723 3.050 520 HB2 PHE 73 1HB PHE 73 0.346 -5.154 4.745 521 HB3 PHE 73 2HB PHE 73 -0.450 -6.288 5.831 522 HD1 PHE 73 2HD PHE 73 0.197 -6.465 2.168 523 HD2 PHE 73 1HD PHE 73 0.935 -8.121 6.019 524 HE1 PHE 73 2HE PHE 73 1.436 -8.320 1.130 525 HE2 PHE 73 1HE PHE 73 2.175 -9.979 4.987 526 HZ PHE 73 HZ PHE 73 2.426 -10.080 2.539 527 H ILE 74 H ILE 74 -1.988 -7.939 2.914 528 HA ILE 74 HA ILE 74 -3.833 -9.006 4.917 529 HB ILE 74 HB ILE 74 -4.481 -8.977 1.968 530 HG12 ILE 74 1HG1 ILE 74 -5.739 -7.467 4.269 531 HG13 ILE 74 2HG1 ILE 74 -4.779 -6.763 2.973 532 HG21 ILE 74 1HG2 ILE 74 -6.431 -10.162 2.467 533 HG22 ILE 74 2HG2 ILE 74 -5.186 -10.962 3.425 534 HG23 ILE 74 3HG2 ILE 74 -6.299 -9.831 4.194 535 HD11 ILE 74 1HD1 ILE 74 -7.194 -6.433 2.675 536 HD12 ILE 74 2HD1 ILE 74 -6.466 -7.351 1.356 537 HD13 ILE 74 3HD1 ILE 74 -7.405 -8.182 2.596 538 H TYR 75 H TYR 75 -2.787 -10.784 5.544 539 HA TYR 75 HA TYR 75 -1.215 -12.339 3.673 540 HB2 TYR 75 1HB TYR 75 -0.482 -11.890 6.032 541 HB3 TYR 75 2HB TYR 75 -1.793 -12.929 6.581 542 HD1 TYR 75 1HD TYR 75 -1.804 -15.355 5.702 543 HD2 TYR 75 2HD TYR 75 1.598 -12.806 5.516 544 HE1 TYR 75 1HE TYR 75 -0.349 -17.324 5.461 545 HE2 TYR 75 2HE TYR 75 3.062 -14.768 5.273 546 HH TYR 75 HH TYR 75 1.752 -18.062 5.379 547 H CYS 76 H CYS 76 -2.636 -13.303 2.261 548 HA CYS 76 HA CYS 76 -4.776 -14.966 3.362 549 HB2 CYS 76 1HB CYS 76 -5.356 -13.455 1.515 550 HB3 CYS 76 2HB CYS 76 -4.147 -14.227 0.496 551 HG CYS 76 HG CYS 76 -5.522 -16.347 -0.176 552 H GLN 77 H GLN 77 -4.868 -17.164 3.117 553 HA GLN 77 HA GLN 77 -2.425 -18.442 2.083 554 HB2 GLN 77 1HB GLN 77 -4.308 -19.353 4.263 555 HB3 GLN 77 2HB GLN 77 -2.978 -20.318 3.634 556 HG2 GLN 77 1HG GLN 77 -1.378 -18.683 4.409 557 HG3 GLN 77 2HG GLN 77 -2.681 -17.630 4.955 558 HE21 GLN 77 1HE2 GLN 77 -4.206 -18.679 6.541 559 HE22 GLN 77 2HE2 GLN 77 -3.493 -19.655 7.775 560 H VAL 78 H VAL 78 -2.741 -19.372 0.179 561 HA VAL 78 HA VAL 78 -5.182 -19.873 -1.039 562 HB VAL 78 HB VAL 78 -3.977 -21.273 -2.635 563 HG11 VAL 78 1HG1 VAL 78 -2.479 -19.628 -3.467 564 HG12 VAL 78 2HG1 VAL 78 -3.780 -18.762 -2.647 565 HG13 VAL 78 3HG1 VAL 78 -2.215 -18.959 -1.857 566 HG21 VAL 78 1HG2 VAL 78 -1.809 -21.190 -0.554 567 HG22 VAL 78 2HG2 VAL 78 -2.568 -22.601 -1.290 568 HG23 VAL 78 3HG2 VAL 78 -1.486 -21.586 -2.242 569 H GLY 79 H GLY 79 -3.054 -22.171 0.660 570 HA2 GLY 79 1HA GLY 79 -4.844 -23.614 2.057 571 HA3 GLY 79 2HA GLY 79 -5.031 -24.279 0.441 572 H ASP 80 H ASP 80 -4.187 -26.278 0.711 573 HA ASP 80 HA ASP 80 -1.628 -26.609 2.053 574 HB2 ASP 80 1HB ASP 80 -3.184 -28.797 0.692 575 HB3 ASP 80 2HB ASP 80 -2.056 -28.926 2.038 576 H LYS 81 H LYS 81 -0.117 -28.276 0.917 577 HA LYS 81 HA LYS 81 1.030 -27.053 -1.295 578 HB2 LYS 81 1HB LYS 81 2.535 -28.444 -0.290 579 HB3 LYS 81 2HB LYS 81 1.328 -29.676 0.058 580 HG2 LYS 81 1HG LYS 81 1.576 -30.693 -1.978 581 HG3 LYS 81 2HG LYS 81 2.131 -29.217 -2.771 582 HD2 LYS 81 1HD LYS 81 4.104 -30.372 -2.646 583 HD3 LYS 81 2HD LYS 81 4.164 -29.496 -1.115 584 HE2 LYS 81 1HE LYS 81 3.430 -31.412 0.096 585 HE3 LYS 81 2HE LYS 81 3.045 -32.279 -1.390 586 HZ1 LYS 81 1HZ LYS 81 5.225 -32.814 -0.173 587 HZ2 LYS 81 2HZ LYS 81 5.802 -31.379 -0.858 588 HZ3 LYS 81 3HZ LYS 81 5.266 -32.637 -1.855 589 HA PRO 82 HA PRO 82 -1.024 -30.402 -4.109 590 HB2 PRO 82 1HB PRO 82 -2.978 -31.927 -3.002 591 HB3 PRO 82 2HB PRO 82 -1.271 -32.383 -2.972 592 HG2 PRO 82 1HG PRO 82 -2.926 -31.100 -0.833 593 HG3 PRO 82 2HG PRO 82 -1.737 -32.408 -0.694 594 HD2 PRO 82 1HD PRO 82 -1.161 -29.842 -0.052 595 HD3 PRO 82 2HD PRO 82 0.052 -30.955 -0.717 596 H TYR 83 H TYR 83 -2.520 -28.227 -2.031 597 HA TYR 83 HA TYR 83 -5.073 -28.199 -3.425 598 HB2 TYR 83 1HB TYR 83 -5.118 -27.856 -1.023 599 HB3 TYR 83 2HB TYR 83 -4.002 -26.502 -1.161 600 HD1 TYR 83 2HD TYR 83 -4.779 -24.429 -2.407 601 HD2 TYR 83 1HD TYR 83 -7.438 -27.527 -1.211 602 HE1 TYR 83 2HE TYR 83 -6.677 -22.882 -2.638 603 HE2 TYR 83 1HE TYR 83 -9.343 -25.989 -1.440 604 HH TYR 83 HH TYR 83 -8.927 -22.727 -2.720 605 H TRP 84 H TRP 84 -2.229 -26.132 -3.010 606 HA TRP 84 HA TRP 84 -3.149 -23.954 -4.533 607 HB2 TRP 84 1HB TRP 84 -1.280 -23.503 -3.196 608 HB3 TRP 84 2HB TRP 84 -0.421 -24.938 -3.748 609 HD1 TRP 84 HD TRP 84 1.611 -24.236 -5.118 610 HE1 TRP 84 1HE TRP 84 2.130 -22.424 -6.871 611 HE3 TRP 84 3HE TRP 84 -2.909 -21.850 -5.179 612 HZ2 TRP 84 2HZ TRP 84 0.798 -20.267 -8.113 613 HZ3 TRP 84 3HZ TRP 84 -3.205 -19.920 -6.677 614 HH2 TRP 84 HH TRP 84 -1.388 -19.147 -8.113 615 H LYS 85 H LYS 85 -1.253 -26.812 -5.435 616 HA LYS 85 HA LYS 85 -0.630 -26.213 -8.045 617 HB2 LYS 85 1HB LYS 85 -1.599 -28.972 -7.488 618 HB3 LYS 85 2HB LYS 85 -0.140 -28.439 -8.314 619 HG2 LYS 85 1HG LYS 85 0.691 -27.686 -6.034 620 HG3 LYS 85 2HG LYS 85 -0.650 -28.617 -5.363 621 HD2 LYS 85 1HD LYS 85 0.942 -30.242 -5.336 622 HD3 LYS 85 2HD LYS 85 0.354 -30.477 -6.984 623 HE2 LYS 85 1HE LYS 85 2.540 -28.511 -6.540 624 HE3 LYS 85 2HE LYS 85 2.934 -30.226 -6.437 625 HZ1 LYS 85 1HZ LYS 85 1.333 -29.569 -8.727 626 HZ2 LYS 85 2HZ LYS 85 2.768 -30.459 -8.632 627 HZ3 LYS 85 3HZ LYS 85 2.825 -28.771 -8.719 628 H ASP 86 H ASP 86 -3.705 -27.264 -6.718 629 HA ASP 86 HA ASP 86 -5.153 -28.086 -8.842 630 HB2 ASP 86 1HB ASP 86 -6.183 -25.995 -6.918 631 HB3 ASP 86 2HB ASP 86 -7.126 -27.203 -7.787 632 HA PRO 87 HA PRO 87 -4.418 -24.590 -11.617 633 HB2 PRO 87 1HB PRO 87 -5.146 -25.943 -13.855 634 HB3 PRO 87 2HB PRO 87 -3.545 -26.091 -13.121 635 HG2 PRO 87 1HG PRO 87 -5.912 -27.908 -12.883 636 HG3 PRO 87 2HG PRO 87 -4.203 -28.321 -13.110 637 HD2 PRO 87 1HD PRO 87 -5.426 -28.455 -10.698 638 HD3 PRO 87 2HD PRO 87 -3.709 -28.043 -10.876 639 H ASN 88 H ASN 88 -7.212 -26.211 -10.644 640 HA ASN 88 HA ASN 88 -8.922 -24.384 -12.200 641 HB2 ASN 88 1HB ASN 88 -10.756 -26.066 -11.617 642 HB3 ASN 88 2HB ASN 88 -9.547 -26.589 -12.785 643 HD21 ASN 88 1HD2 ASN 88 -8.470 -28.407 -12.406 644 HD22 ASN 88 2HD2 ASN 88 -8.509 -29.301 -10.928 645 H ASN 89 H ASN 89 -7.553 -23.674 -9.767 646 HA ASN 89 HA ASN 89 -9.630 -23.647 -7.724 647 HB2 ASN 89 1HB ASN 89 -7.808 -22.378 -6.428 648 HB3 ASN 89 2HB ASN 89 -7.511 -24.075 -6.793 649 HD21 ASN 89 1HD2 ASN 89 -5.275 -23.512 -6.431 650 HD22 ASN 89 2HD2 ASN 89 -4.356 -22.814 -7.717 651 H ASP 90 H ASP 90 -10.468 -21.728 -6.821 652 HA ASP 90 HA ASP 90 -11.260 -19.765 -8.609 653 HB2 ASP 90 1HB ASP 90 -11.092 -19.723 -5.595 654 HB3 ASP 90 2HB ASP 90 -11.828 -18.425 -6.531 655 H PHE 91 H PHE 91 -8.274 -20.121 -6.991 656 HA PHE 91 HA PHE 91 -7.497 -17.375 -6.965 657 HB2 PHE 91 1HB PHE 91 -5.935 -19.948 -6.732 658 HB3 PHE 91 2HB PHE 91 -5.176 -18.361 -6.652 659 HD1 PHE 91 2HD PHE 91 -5.700 -16.833 -4.788 660 HD2 PHE 91 1HD PHE 91 -7.155 -20.832 -4.900 661 HE1 PHE 91 2HE PHE 91 -6.198 -16.716 -2.381 662 HE2 PHE 91 1HE PHE 91 -7.657 -20.720 -2.494 663 HZ PHE 91 HZ PHE 91 -7.177 -18.661 -1.231 664 H ARG 92 H ARG 92 -7.072 -20.061 -9.206 665 HA ARG 92 HA ARG 92 -5.566 -18.352 -11.037 666 HB2 ARG 92 1HB ARG 92 -6.214 -21.303 -11.133 667 HB3 ARG 92 2HB ARG 92 -5.286 -20.448 -12.359 668 HG2 ARG 92 1HG ARG 92 -3.532 -19.981 -10.807 669 HG3 ARG 92 2HG ARG 92 -4.492 -20.602 -9.462 670 HD2 ARG 92 1HD ARG 92 -4.518 -22.819 -10.695 671 HD3 ARG 92 2HD ARG 92 -3.283 -22.134 -11.751 672 HE ARG 92 HE ARG 92 -2.639 -21.936 -8.960 673 HH11 ARG 92 2HH1 ARG 92 -2.529 -23.977 -11.778 674 HH12 ARG 92 1HH1 ARG 92 -1.191 -24.917 -11.206 675 HH21 ARG 92 2HH2 ARG 92 -0.877 -23.166 -8.196 676 HH22 ARG 92 1HH2 ARG 92 -0.252 -24.456 -9.168 677 H GLN 93 H GLN 93 -8.740 -19.328 -10.447 678 HA GLN 93 HA GLN 93 -9.568 -19.026 -13.235 679 HB2 GLN 93 1HB GLN 93 -11.221 -19.741 -10.808 680 HB3 GLN 93 2HB GLN 93 -11.758 -19.791 -12.481 681 HG2 GLN 93 1HG GLN 93 -9.396 -21.403 -11.636 682 HG3 GLN 93 2HG GLN 93 -11.025 -21.971 -11.277 683 HE21 GLN 93 1HE2 GLN 93 -8.620 -22.380 -13.350 684 HE22 GLN 93 2HE2 GLN 93 -9.489 -22.757 -14.795 685 H LYS 94 H LYS 94 -10.108 -17.582 -10.047 686 HA LYS 94 HA LYS 94 -11.576 -15.373 -11.285 687 HB2 LYS 94 1HB LYS 94 -11.084 -15.911 -8.351 688 HB3 LYS 94 2HB LYS 94 -12.202 -14.735 -9.031 689 HG2 LYS 94 1HG LYS 94 -13.292 -16.801 -10.157 690 HG3 LYS 94 2HG LYS 94 -12.425 -17.710 -8.917 691 HD2 LYS 94 1HD LYS 94 -13.479 -16.006 -7.276 692 HD3 LYS 94 2HD LYS 94 -14.600 -15.673 -8.599 693 HE2 LYS 94 1HE LYS 94 -14.852 -18.270 -8.654 694 HE3 LYS 94 2HE LYS 94 -14.222 -18.176 -7.010 695 HZ1 LYS 94 1HZ LYS 94 -16.637 -18.136 -7.040 696 HZ2 LYS 94 2HZ LYS 94 -16.628 -16.757 -8.019 697 HZ3 LYS 94 3HZ LYS 94 -16.026 -16.676 -6.440 698 H LEU 95 H LEU 95 -8.893 -15.834 -8.980 699 HA LEU 95 HA LEU 95 -8.024 -13.104 -9.297 700 HB2 LEU 95 1HB LEU 95 -6.949 -15.473 -7.797 701 HB3 LEU 95 2HB LEU 95 -6.069 -13.949 -7.891 702 HG LEU 95 HG LEU 95 -8.819 -14.306 -6.700 703 HD11 LEU 95 1HD1 LEU 95 -7.225 -13.519 -4.672 704 HD12 LEU 95 2HD1 LEU 95 -6.102 -14.519 -5.593 705 HD13 LEU 95 3HD1 LEU 95 -7.624 -15.202 -5.019 706 HD21 LEU 95 1HD2 LEU 95 -8.631 -12.097 -7.548 707 HD22 LEU 95 2HD2 LEU 95 -6.983 -11.932 -6.940 708 HD23 LEU 95 3HD2 LEU 95 -8.337 -12.002 -5.811 709 H LYS 96 H LYS 96 -7.402 -16.112 -10.817 710 HA LYS 96 HA LYS 96 -5.920 -16.801 -12.406 711 HB2 LYS 96 1HB LYS 96 -6.411 -13.921 -12.988 712 HB3 LYS 96 2HB LYS 96 -5.123 -14.726 -13.874 713 HG2 LYS 96 1HG LYS 96 -6.939 -14.997 -15.267 714 HG3 LYS 96 2HG LYS 96 -6.913 -16.522 -14.377 715 HD2 LYS 96 1HD LYS 96 -9.130 -15.992 -14.183 716 HD3 LYS 96 2HD LYS 96 -8.503 -15.188 -12.742 717 HE2 LYS 96 1HE LYS 96 -9.906 -13.610 -13.779 718 HE3 LYS 96 2HE LYS 96 -8.264 -13.113 -14.184 719 HZ1 LYS 96 1HZ LYS 96 -9.083 -13.043 -16.254 720 HZ2 LYS 96 2HZ LYS 96 -10.381 -14.070 -15.908 721 HZ3 LYS 96 3HZ LYS 96 -8.854 -14.719 -16.238 722 H ILE 97 H ILE 97 -4.661 -16.745 -10.067 723 HA ILE 97 HA ILE 97 -2.385 -15.073 -9.911 724 HB ILE 97 HB ILE 97 -2.855 -17.785 -8.669 725 HG12 ILE 97 1HG1 ILE 97 -4.520 -16.249 -7.898 726 HG13 ILE 97 2HG1 ILE 97 -3.314 -16.384 -6.622 727 HG21 ILE 97 1HG2 ILE 97 -1.108 -17.012 -7.040 728 HG22 ILE 97 2HG2 ILE 97 -0.513 -17.378 -8.659 729 HG23 ILE 97 3HG2 ILE 97 -0.743 -15.702 -8.163 730 HD11 ILE 97 1HD1 ILE 97 -3.652 -14.129 -8.579 731 HD12 ILE 97 2HD1 ILE 97 -3.927 -14.096 -6.837 732 HD13 ILE 97 3HD1 ILE 97 -2.291 -14.280 -7.468 733 H THR 98 H THR 98 -0.151 -15.690 -10.154 734 HA THR 98 HA THR 98 0.234 -17.473 -12.454 735 HB THR 98 HB THR 98 2.176 -15.444 -11.336 736 HG1 THR 98 1HG THR 98 0.361 -14.368 -12.149 737 HG21 THR 98 1HG2 THR 98 2.269 -16.323 -14.156 738 HG22 THR 98 2HG2 THR 98 2.747 -17.521 -12.953 739 HG23 THR 98 3HG2 THR 98 3.582 -15.970 -13.034 740 H ALA 99 H ALA 99 2.200 -16.525 -9.629 741 HA ALA 99 HA ALA 99 2.594 -19.323 -8.941 742 HB1 ALA 99 1HB ALA 99 4.900 -19.403 -9.204 743 HB2 ALA 99 2HB ALA 99 4.363 -18.553 -10.653 744 HB3 ALA 99 3HB ALA 99 5.050 -17.649 -9.305 745 H VAL 100 H VAL 100 2.533 -19.545 -6.804 746 HA VAL 100 HA VAL 100 2.569 -17.198 -5.115 747 HB VAL 100 HB VAL 100 1.812 -18.600 -3.349 748 HG11 VAL 100 1HG1 VAL 100 0.098 -20.093 -4.853 749 HG12 VAL 100 2HG1 VAL 100 -0.125 -18.387 -4.461 750 HG13 VAL 100 3HG1 VAL 100 0.597 -18.852 -6.002 751 HG21 VAL 100 1HG2 VAL 100 1.620 -21.148 -3.905 752 HG22 VAL 100 2HG2 VAL 100 2.939 -20.800 -5.023 753 HG23 VAL 100 3HG2 VAL 100 3.138 -20.483 -3.300 754 HA PRO 101 HA PRO 101 2.777 -16.854 -2.864 755 HB2 PRO 101 1HB PRO 101 4.277 -14.796 -1.924 756 HB3 PRO 101 2HB PRO 101 4.129 -16.341 -1.078 757 HG2 PRO 101 1HG PRO 101 6.327 -15.358 -2.857 758 HG3 PRO 101 2HG PRO 101 6.439 -16.228 -1.316 759 HD2 PRO 101 1HD PRO 101 6.742 -17.458 -3.709 760 HD3 PRO 101 2HD PRO 101 6.038 -18.275 -2.298 761 H THR 102 H THR 102 1.612 -15.100 -3.570 762 HA THR 102 HA THR 102 2.791 -13.515 -5.758 763 HB THR 102 HB THR 102 -0.082 -14.447 -5.597 764 HG1 THR 102 1HG THR 102 1.967 -15.261 -7.403 765 HG21 THR 102 1HG2 THR 102 -0.313 -13.509 -7.816 766 HG22 THR 102 2HG2 THR 102 1.386 -13.037 -7.827 767 HG23 THR 102 3HG2 THR 102 0.262 -12.260 -6.712 768 H LEU 103 H LEU 103 2.959 -11.459 -5.176 769 HA LEU 103 HA LEU 103 1.100 -10.372 -3.188 770 HB2 LEU 103 1HB LEU 103 3.525 -10.179 -2.771 771 HB3 LEU 103 2HB LEU 103 3.681 -9.223 -4.243 772 HG LEU 103 HG LEU 103 2.101 -7.559 -3.160 773 HD11 LEU 103 1HD1 LEU 103 1.707 -7.631 -0.853 774 HD12 LEU 103 2HD1 LEU 103 2.893 -8.911 -0.600 775 HD13 LEU 103 3HD1 LEU 103 1.370 -9.268 -1.416 776 HD21 LEU 103 1HD2 LEU 103 3.888 -6.535 -1.841 777 HD22 LEU 103 2HD2 LEU 103 4.496 -7.164 -3.372 778 HD23 LEU 103 3HD2 LEU 103 4.786 -8.053 -1.876 779 H LEU 104 H LEU 104 -0.698 -9.774 -4.305 780 HA LEU 104 HA LEU 104 -0.386 -8.118 -6.698 781 HB2 LEU 104 1HB LEU 104 -1.961 -9.707 -7.188 782 HB3 LEU 104 2HB LEU 104 -2.579 -9.757 -5.539 783 HG LEU 104 HG LEU 104 -3.598 -7.477 -6.008 784 HD11 LEU 104 1HD1 LEU 104 -2.078 -7.525 -8.249 785 HD12 LEU 104 2HD1 LEU 104 -3.519 -6.530 -8.041 786 HD13 LEU 104 3HD1 LEU 104 -3.630 -8.076 -8.882 787 HD21 LEU 104 1HD2 LEU 104 -4.816 -9.428 -7.878 788 HD22 LEU 104 2HD2 LEU 104 -5.555 -8.474 -6.591 789 HD23 LEU 104 3HD2 LEU 104 -4.628 -9.923 -6.195 790 H LYS 105 H LYS 105 -0.726 -5.989 -6.692 791 HA LYS 105 HA LYS 105 -1.484 -4.712 -4.188 792 HB2 LYS 105 1HB LYS 105 0.482 -3.853 -5.321 793 HB3 LYS 105 2HB LYS 105 -0.444 -3.579 -6.790 794 HG2 LYS 105 1HG LYS 105 -1.662 -1.808 -5.805 795 HG3 LYS 105 2HG LYS 105 -1.073 -2.210 -4.190 796 HD2 LYS 105 1HD LYS 105 1.241 -1.683 -5.010 797 HD3 LYS 105 2HD LYS 105 0.504 -1.072 -6.494 798 HE2 LYS 105 1HE LYS 105 -0.672 0.625 -5.291 799 HE3 LYS 105 2HE LYS 105 -0.202 -0.071 -3.741 800 HZ1 LYS 105 1HZ LYS 105 1.636 1.157 -5.725 801 HZ2 LYS 105 2HZ LYS 105 2.107 0.462 -4.257 802 HZ3 LYS 105 3HZ LYS 105 1.144 1.853 -4.263 803 H TYR 106 H TYR 106 -3.691 -5.002 -4.035 804 HA TYR 106 HA TYR 106 -5.629 -4.851 -5.943 805 HB2 TYR 106 1HB TYR 106 -5.760 -5.187 -3.335 806 HB3 TYR 106 2HB TYR 106 -6.137 -3.467 -3.339 807 HD1 TYR 106 2HD TYR 106 -7.137 -6.337 -5.523 808 HD2 TYR 106 1HD TYR 106 -8.394 -3.122 -3.035 809 HE1 TYR 106 2HE TYR 106 -9.484 -6.858 -6.044 810 HE2 TYR 106 1HE TYR 106 -10.744 -3.635 -3.548 811 HH TYR 106 HH TYR 106 -11.629 -6.456 -5.476 812 H GLY 107 H GLY 107 -5.697 -3.388 -7.538 813 HA2 GLY 107 1HA GLY 107 -6.767 -1.107 -7.830 814 HA3 GLY 107 2HA GLY 107 -5.457 -0.538 -6.808 815 H THR 108 H THR 108 -3.472 -2.303 -7.997 816 HA THR 108 HA THR 108 -3.278 -1.168 -10.705 817 HB THR 108 HB THR 108 -0.862 -0.794 -10.361 818 HG1 THR 108 1HG THR 108 -0.837 -2.349 -8.497 819 HG21 THR 108 1HG2 THR 108 -2.989 0.654 -8.953 820 HG22 THR 108 2HG2 THR 108 -1.729 1.256 -10.031 821 HG23 THR 108 3HG2 THR 108 -1.369 0.962 -8.330 822 HA PRO 109 HA PRO 109 -2.194 -5.215 -12.027 823 HB2 PRO 109 1HB PRO 109 -0.597 -4.642 -14.147 824 HB3 PRO 109 2HB PRO 109 -2.350 -4.416 -14.176 825 HG2 PRO 109 1HG PRO 109 -0.187 -2.397 -13.722 826 HG3 PRO 109 2HG PRO 109 -1.654 -2.262 -14.708 827 HD2 PRO 109 1HD PRO 109 -1.461 -1.187 -12.231 828 HD3 PRO 109 2HD PRO 109 -2.989 -1.808 -12.885 829 H GLN 110 H GLN 110 -0.004 -3.158 -10.583 830 HA GLN 110 HA GLN 110 2.422 -4.584 -11.066 831 HB2 GLN 110 1HB GLN 110 1.563 -2.421 -9.191 832 HB3 GLN 110 2HB GLN 110 3.071 -3.269 -8.880 833 HG2 GLN 110 1HG GLN 110 3.489 -2.707 -11.429 834 HG3 GLN 110 2HG GLN 110 2.353 -1.407 -11.071 835 HE21 GLN 110 1HE2 GLN 110 2.919 -0.472 -8.727 836 HE22 GLN 110 2HE2 GLN 110 4.563 0.037 -8.581 837 H LYS 111 H LYS 111 3.028 -6.457 -10.226 838 HA LYS 111 HA LYS 111 2.162 -7.189 -7.533 839 HB2 LYS 111 1HB LYS 111 1.609 -9.497 -8.320 840 HB3 LYS 111 2HB LYS 111 0.497 -8.259 -8.890 841 HG2 LYS 111 1HG LYS 111 0.800 -9.415 -10.820 842 HG3 LYS 111 2HG LYS 111 2.122 -8.254 -10.970 843 HD2 LYS 111 1HD LYS 111 3.268 -10.179 -11.406 844 HD3 LYS 111 2HD LYS 111 3.435 -10.141 -9.649 845 HE2 LYS 111 1HE LYS 111 1.846 -11.802 -9.337 846 HE3 LYS 111 2HE LYS 111 1.105 -11.529 -10.913 847 HZ1 LYS 111 1HZ LYS 111 3.180 -13.324 -10.203 848 HZ2 LYS 111 2HZ LYS 111 3.710 -12.277 -11.420 849 HZ3 LYS 111 3HZ LYS 111 2.319 -13.210 -11.655 850 H LEU 112 H LEU 112 3.522 -8.674 -6.483 851 HA LEU 112 HA LEU 112 6.132 -9.039 -7.797 852 HB2 LEU 112 1HB LEU 112 5.578 -9.026 -4.838 853 HB3 LEU 112 2HB LEU 112 7.150 -8.991 -5.635 854 HG LEU 112 HG LEU 112 5.110 -6.775 -5.512 855 HD11 LEU 112 1HD1 LEU 112 7.023 -7.472 -3.704 856 HD12 LEU 112 2HD1 LEU 112 6.379 -5.845 -3.920 857 HD13 LEU 112 3HD1 LEU 112 7.885 -6.309 -4.711 858 HD21 LEU 112 1HD2 LEU 112 7.345 -7.257 -7.369 859 HD22 LEU 112 2HD2 LEU 112 7.284 -5.650 -6.644 860 HD23 LEU 112 3HD2 LEU 112 5.902 -6.259 -7.557 861 H VAL 113 H VAL 113 6.566 -11.046 -8.397 862 HA VAL 113 HA VAL 113 5.046 -13.276 -7.379 863 HB VAL 113 HB VAL 113 7.432 -13.732 -9.093 864 HG11 VAL 113 1HG1 VAL 113 6.337 -15.696 -8.990 865 HG12 VAL 113 2HG1 VAL 113 4.800 -14.936 -8.571 866 HG13 VAL 113 3HG1 VAL 113 5.332 -14.984 -10.252 867 HG21 VAL 113 1HG2 VAL 113 5.077 -12.071 -9.876 868 HG22 VAL 113 2HG2 VAL 113 6.781 -11.862 -10.278 869 HG23 VAL 113 3HG2 VAL 113 5.837 -13.125 -11.068 870 H GLU 114 H GLU 114 6.419 -15.367 -6.972 871 HA GLU 114 HA GLU 114 7.471 -15.437 -4.537 872 HB2 GLU 114 1HB GLU 114 8.908 -16.911 -6.735 873 HB3 GLU 114 2HB GLU 114 8.641 -17.424 -5.075 874 HG2 GLU 114 1HG GLU 114 6.169 -17.448 -5.631 875 HG3 GLU 114 2HG GLU 114 6.655 -17.289 -7.318 876 H SER 115 H SER 115 9.669 -15.111 -7.331 877 HA SER 115 HA SER 115 11.951 -14.464 -5.887 878 HB2 SER 115 1HB SER 115 12.172 -15.056 -8.194 879 HB3 SER 115 2HB SER 115 11.126 -13.730 -8.700 880 HG SER 115 HG SER 115 13.670 -13.457 -7.467 881 H GLU 116 H GLU 116 9.476 -12.327 -7.255 882 HA GLU 116 HA GLU 116 10.762 -9.921 -6.420 883 HB2 GLU 116 1HB GLU 116 7.835 -10.273 -7.066 884 HB3 GLU 116 2HB GLU 116 8.781 -8.794 -7.155 885 HG2 GLU 116 1HG GLU 116 10.166 -9.955 -8.931 886 HG3 GLU 116 2HG GLU 116 8.907 -11.189 -8.957 887 H CYS 117 H CYS 117 9.015 -12.292 -4.776 888 HA CYS 117 HA CYS 117 7.942 -10.513 -2.750 889 HB2 CYS 117 1HB CYS 117 7.902 -13.508 -3.109 890 HB3 CYS 117 2HB CYS 117 7.284 -12.725 -1.659 891 HG CYS 117 HG CYS 117 5.760 -13.265 -4.488 892 H CYS 118 H CYS 118 10.850 -12.130 -3.376 893 HA CYS 118 HA CYS 118 11.623 -12.064 -0.539 894 HB2 CYS 118 1HB CYS 118 12.031 -14.230 -1.385 895 HB3 CYS 118 2HB CYS 118 12.681 -13.608 -2.897 896 HG CYS 118 HG CYS 118 14.212 -13.579 0.159 897 H GLN 119 H GLN 119 11.908 -10.353 -3.403 898 HA GLN 119 HA GLN 119 14.545 -9.267 -2.774 899 HB2 GLN 119 1HB GLN 119 12.743 -9.186 -5.152 900 HB3 GLN 119 2HB GLN 119 13.908 -7.886 -4.938 901 HG2 GLN 119 1HG GLN 119 14.493 -10.031 -6.327 902 HG3 GLN 119 2HG GLN 119 15.700 -9.234 -5.319 903 HE21 GLN 119 1HE2 GLN 119 13.917 -12.081 -5.893 904 HE22 GLN 119 2HE2 GLN 119 14.547 -13.018 -4.585 905 H SER 120 H SER 120 14.469 -7.812 -1.172 906 HA SER 120 HA SER 120 12.294 -6.212 -0.473 907 HB2 SER 120 1HB SER 120 14.324 -4.731 0.482 908 HB3 SER 120 2HB SER 120 13.807 -6.236 1.241 909 HG SER 120 HG SER 120 16.098 -6.094 0.850 910 H SER 121 H SER 121 15.050 -5.527 -2.584 911 HA SER 121 HA SER 121 14.738 -2.849 -3.056 912 HB2 SER 121 1HB SER 121 15.737 -5.128 -4.684 913 HB3 SER 121 2HB SER 121 15.415 -3.617 -5.535 914 HG SER 121 HG SER 121 16.702 -2.749 -3.577 915 H LEU 122 H LEU 122 12.837 -5.503 -4.355 916 HA LEU 122 HA LEU 122 11.311 -3.759 -6.091 917 HB2 LEU 122 1HB LEU 122 11.053 -6.681 -5.408 918 HB3 LEU 122 2HB LEU 122 9.990 -5.837 -6.533 919 HG LEU 122 HG LEU 122 12.949 -5.871 -6.989 920 HD11 LEU 122 1HD1 LEU 122 11.790 -8.220 -6.621 921 HD12 LEU 122 2HD1 LEU 122 12.978 -7.957 -7.897 922 HD13 LEU 122 3HD1 LEU 122 11.256 -7.940 -8.278 923 HD21 LEU 122 1HD2 LEU 122 10.552 -5.718 -8.813 924 HD22 LEU 122 2HD2 LEU 122 12.239 -5.672 -9.325 925 HD23 LEU 122 3HD2 LEU 122 11.582 -4.370 -8.332 926 H VAL 123 H VAL 123 10.898 -5.435 -3.021 927 HA VAL 123 HA VAL 123 8.161 -5.033 -2.651 928 HB VAL 123 HB VAL 123 10.362 -5.151 -0.587 929 HG11 VAL 123 1HG1 VAL 123 7.438 -5.641 -0.095 930 HG12 VAL 123 2HG1 VAL 123 8.734 -5.451 1.088 931 HG13 VAL 123 3HG1 VAL 123 8.186 -4.063 0.146 932 HG21 VAL 123 1HG2 VAL 123 8.703 -7.183 -1.998 933 HG22 VAL 123 2HG2 VAL 123 10.413 -7.224 -1.570 934 HG23 VAL 123 3HG2 VAL 123 9.188 -7.489 -0.330 935 H GLU 124 H GLU 124 10.899 -3.006 -1.614 936 HA GLU 124 HA GLU 124 9.246 -0.961 -0.519 937 HB2 GLU 124 1HB GLU 124 11.298 0.335 -0.330 938 HB3 GLU 124 2HB GLU 124 11.566 -1.315 0.214 939 HG2 GLU 124 1HG GLU 124 12.764 -1.870 -1.739 940 HG3 GLU 124 2HG GLU 124 12.248 -0.399 -2.562 941 H MET 125 H MET 125 10.010 -1.826 -3.684 942 HA MET 125 HA MET 125 9.887 0.836 -4.803 943 HB2 MET 125 1HB MET 125 11.222 -1.114 -5.760 944 HB3 MET 125 2HB MET 125 9.685 -1.765 -6.314 945 HG2 MET 125 1HG MET 125 9.414 0.605 -7.387 946 HG3 MET 125 2HG MET 125 11.170 0.641 -7.239 947 HE1 MET 125 1HE MET 125 9.082 -2.855 -8.287 948 HE2 MET 125 2HE MET 125 8.175 -1.343 -8.229 949 HE3 MET 125 3HE MET 125 8.568 -2.077 -9.785 950 H ILE 126 H ILE 126 7.842 -2.079 -4.915 951 HA ILE 126 HA ILE 126 5.724 -0.958 -6.358 952 HB ILE 126 HB ILE 126 6.056 -3.403 -5.865 953 HG12 ILE 126 1HG1 ILE 126 3.286 -2.478 -5.117 954 HG13 ILE 126 2HG1 ILE 126 3.922 -2.290 -6.747 955 HG21 ILE 126 1HG2 ILE 126 4.876 -4.189 -3.757 956 HG22 ILE 126 2HG2 ILE 126 6.464 -3.454 -3.549 957 HG23 ILE 126 3HG2 ILE 126 5.009 -2.525 -3.189 958 HD11 ILE 126 1HD1 ILE 126 2.687 -4.548 -5.579 959 HD12 ILE 126 2HD1 ILE 126 3.313 -4.358 -7.217 960 HD13 ILE 126 3HD1 ILE 126 4.361 -4.969 -5.937 961 H PHE 127 H PHE 127 6.604 -0.688 -3.011 962 HA PHE 127 HA PHE 127 4.034 0.368 -2.203 963 HB2 PHE 127 1HB PHE 127 6.666 0.090 -0.743 964 HB3 PHE 127 2HB PHE 127 5.209 0.755 -0.013 965 HD1 PHE 127 2HD PHE 127 3.134 -1.026 -1.051 966 HD2 PHE 127 1HD PHE 127 7.053 -1.906 0.356 967 HE1 PHE 127 2HE PHE 127 2.403 -3.295 -0.443 968 HE2 PHE 127 1HE PHE 127 6.329 -4.177 0.965 969 HZ PHE 127 HZ PHE 127 4.000 -4.874 0.567 970 H SER 128 H SER 128 7.305 1.592 -2.775 971 HA SER 128 HA SER 128 6.777 4.264 -2.019 972 HB2 SER 128 1HB SER 128 9.055 3.116 -2.340 973 HB3 SER 128 2HB SER 128 8.846 3.456 -4.058 974 HG SER 128 HG SER 128 9.599 5.117 -2.065 975 H GLU 129 H GLU 129 6.899 2.695 -5.211 976 HA GLU 129 HA GLU 129 5.790 5.086 -6.453 977 HB2 GLU 129 1HB GLU 129 7.666 3.812 -7.513 978 HB3 GLU 129 2HB GLU 129 6.558 2.467 -7.748 979 HG2 GLU 129 1HG GLU 129 5.393 3.528 -9.401 980 HG3 GLU 129 2HG GLU 129 5.791 5.137 -8.801 981 H ASP 130 H ASP 130 3.719 5.327 -7.004 982 HA ASP 130 HA ASP 130 1.933 3.011 -6.670 983 HB2 ASP 130 1HB ASP 130 0.133 4.725 -6.353 984 HB3 ASP 130 2HB ASP 130 1.386 4.761 -5.115 Start of MODEL 16 1 H1 GLY 1 H GLY 1 11.518 11.539 15.579 2 HA2 GLY 1 1HA GLY 1 11.309 14.304 16.231 3 HA3 GLY 1 2HA GLY 1 11.799 13.639 14.680 4 H SER 2 H SER 2 10.372 15.851 14.520 5 HA SER 2 HA SER 2 7.579 15.051 14.083 6 HB2 SER 2 1HB SER 2 8.878 17.756 14.426 7 HB3 SER 2 2HB SER 2 7.213 17.563 13.876 8 HG SER 2 HG SER 2 7.343 17.846 16.144 9 H GLU 3 H GLU 3 6.524 15.574 12.122 10 HA GLU 3 HA GLU 3 8.067 15.123 9.803 11 HB2 GLU 3 1HB GLU 3 5.211 15.913 10.285 12 HB3 GLU 3 2HB GLU 3 5.860 15.868 8.651 13 HG2 GLU 3 1HG GLU 3 4.853 13.789 8.948 14 HG3 GLU 3 2HG GLU 3 6.574 13.484 9.171 15 H GLY 4 H GLY 4 7.757 16.627 7.816 16 HA2 GLY 4 1HA GLY 4 7.804 19.459 8.463 17 HA3 GLY 4 2HA GLY 4 9.334 18.790 7.917 18 H ALA 5 H ALA 5 5.930 19.151 7.000 19 HA ALA 5 HA ALA 5 4.973 19.641 4.986 20 HB1 ALA 5 1HB ALA 5 7.533 19.795 3.512 21 HB2 ALA 5 2HB ALA 5 6.137 20.874 3.483 22 HB3 ALA 5 3HB ALA 5 7.290 20.959 4.815 23 H ALA 6 H ALA 6 4.915 17.087 5.609 24 HA ALA 6 HA ALA 6 4.767 15.752 3.132 25 HB1 ALA 6 1HB ALA 6 6.498 13.999 3.578 26 HB2 ALA 6 2HB ALA 6 7.144 15.593 3.185 27 HB3 ALA 6 3HB ALA 6 7.129 15.036 4.859 28 H THR 7 H THR 7 3.346 14.120 3.299 29 HA THR 7 HA THR 7 2.375 13.433 5.958 30 HB THR 7 HB THR 7 0.474 12.421 4.845 31 HG1 THR 7 1HG THR 7 2.138 12.657 2.603 32 HG21 THR 7 1HG2 THR 7 -0.015 14.528 3.236 33 HG22 THR 7 2HG2 THR 7 1.328 15.170 4.183 34 HG23 THR 7 3HG2 THR 7 -0.130 14.599 4.993 35 H MET 8 H MET 8 2.564 11.474 6.902 36 HA MET 8 HA MET 8 4.374 9.568 5.673 37 HB2 MET 8 1HB MET 8 3.089 9.679 8.404 38 HB3 MET 8 2HB MET 8 4.174 8.396 7.886 39 HG2 MET 8 1HG MET 8 4.837 11.315 8.176 40 HG3 MET 8 2HG MET 8 5.386 9.992 9.202 41 HE1 MET 8 1HE MET 8 7.971 11.234 8.615 42 HE2 MET 8 2HE MET 8 7.676 9.588 9.174 43 HE3 MET 8 3HE MET 8 8.810 9.882 7.855 44 H ALA 9 H ALA 9 3.850 7.203 5.868 45 HA ALA 9 HA ALA 9 1.081 6.763 4.982 46 HB1 ALA 9 1HB ALA 9 3.357 4.853 4.555 47 HB2 ALA 9 2HB ALA 9 1.829 4.965 3.679 48 HB3 ALA 9 3HB ALA 9 3.060 6.211 3.469 49 H THR 10 H THR 10 0.090 4.680 5.564 50 HA THR 10 HA THR 10 1.075 3.558 8.091 51 HB THR 10 HB THR 10 -1.294 3.493 8.932 52 HG1 THR 10 1HG THR 10 -2.664 5.151 7.907 53 HG21 THR 10 1HG2 THR 10 -1.099 6.312 8.870 54 HG22 THR 10 2HG2 THR 10 0.548 5.679 8.873 55 HG23 THR 10 3HG2 THR 10 -0.578 5.215 10.148 56 H PHE 11 H PHE 11 1.072 1.406 8.095 57 HA PHE 11 HA PHE 11 -0.565 0.019 6.075 58 HB2 PHE 11 1HB PHE 11 1.138 -1.504 5.707 59 HB3 PHE 11 2HB PHE 11 2.060 -0.040 6.031 60 HD1 PHE 11 2HD PHE 11 3.198 0.258 8.183 61 HD2 PHE 11 1HD PHE 11 1.189 -3.362 7.197 62 HE1 PHE 11 2HE PHE 11 4.388 -0.893 10.003 63 HE2 PHE 11 1HE PHE 11 2.375 -4.520 9.016 64 HZ PHE 11 HZ PHE 11 3.978 -3.285 10.421 65 H GLU 12 H GLU 12 -1.555 -1.955 6.644 66 HA GLU 12 HA GLU 12 -1.676 -2.531 9.525 67 HB2 GLU 12 1HB GLU 12 -3.666 -1.268 9.028 68 HB3 GLU 12 2HB GLU 12 -4.007 -2.269 7.623 69 HG2 GLU 12 1HG GLU 12 -5.479 -2.907 9.386 70 HG3 GLU 12 2HG GLU 12 -4.314 -4.205 9.136 71 H GLU 13 H GLU 13 -1.567 -4.636 10.053 72 HA GLU 13 HA GLU 13 -1.271 -6.553 7.876 73 HB2 GLU 13 1HB GLU 13 0.268 -6.231 10.008 74 HB3 GLU 13 2HB GLU 13 -0.912 -7.310 10.740 75 HG2 GLU 13 1HG GLU 13 0.789 -8.710 9.980 76 HG3 GLU 13 2HG GLU 13 -0.487 -8.860 8.774 77 H VAL 14 H VAL 14 -2.852 -7.874 7.292 78 HA VAL 14 HA VAL 14 -4.930 -8.556 9.267 79 HB VAL 14 HB VAL 14 -5.371 -7.985 6.333 80 HG11 VAL 14 1HG1 VAL 14 -7.670 -8.279 8.139 81 HG12 VAL 14 2HG1 VAL 14 -7.445 -8.844 6.483 82 HG13 VAL 14 3HG1 VAL 14 -6.767 -9.761 7.828 83 HG21 VAL 14 1HG2 VAL 14 -5.020 -5.960 7.651 84 HG22 VAL 14 2HG2 VAL 14 -6.697 -6.086 7.118 85 HG23 VAL 14 3HG2 VAL 14 -6.270 -6.473 8.785 86 H SER 15 H SER 15 -4.894 -10.657 9.675 87 HA SER 15 HA SER 15 -3.759 -12.502 7.726 88 HB2 SER 15 1HB SER 15 -2.910 -12.886 9.895 89 HB3 SER 15 2HB SER 15 -4.504 -12.742 10.636 90 HG SER 15 HG SER 15 -4.405 -14.853 10.518 91 H VAL 16 H VAL 16 -4.917 -13.854 6.508 92 HA VAL 16 HA VAL 16 -7.633 -14.577 7.280 93 HB VAL 16 HB VAL 16 -8.529 -14.026 5.034 94 HG11 VAL 16 1HG1 VAL 16 -7.420 -11.666 6.551 95 HG12 VAL 16 2HG1 VAL 16 -8.779 -11.631 5.426 96 HG13 VAL 16 3HG1 VAL 16 -8.906 -12.534 6.936 97 HG21 VAL 16 1HG2 VAL 16 -7.136 -13.517 3.381 98 HG22 VAL 16 2HG2 VAL 16 -6.730 -12.016 4.214 99 HG23 VAL 16 3HG2 VAL 16 -5.775 -13.471 4.502 100 H LEU 17 H LEU 17 -8.423 -16.444 6.239 101 HA LEU 17 HA LEU 17 -6.453 -17.909 4.615 102 HB2 LEU 17 1HB LEU 17 -6.789 -18.570 7.131 103 HB3 LEU 17 2HB LEU 17 -8.238 -19.360 6.513 104 HG LEU 17 HG LEU 17 -5.460 -19.928 5.492 105 HD11 LEU 17 1HD1 LEU 17 -5.244 -20.755 7.610 106 HD12 LEU 17 2HD1 LEU 17 -6.006 -22.135 6.820 107 HD13 LEU 17 3HD1 LEU 17 -6.975 -21.034 7.799 108 HD21 LEU 17 1HD2 LEU 17 -8.153 -21.207 5.095 109 HD22 LEU 17 2HD2 LEU 17 -6.639 -22.032 4.724 110 HD23 LEU 17 3HD2 LEU 17 -7.065 -20.545 3.874 111 H GLY 18 H GLY 18 -7.301 -18.177 2.659 112 HA2 GLY 18 1HA GLY 18 -8.823 -19.349 1.239 113 HA3 GLY 18 2HA GLY 18 -10.066 -19.153 2.466 114 H PHE 19 H PHE 19 -10.590 -18.575 -0.172 115 HA PHE 19 HA PHE 19 -10.207 -15.831 -0.804 116 HB2 PHE 19 1HB PHE 19 -10.711 -17.684 -2.449 117 HB3 PHE 19 2HB PHE 19 -12.375 -17.640 -1.877 118 HD1 PHE 19 2HD PHE 19 -13.593 -15.377 -2.026 119 HD2 PHE 19 1HD PHE 19 -10.032 -16.295 -4.169 120 HE1 PHE 19 2HE PHE 19 -14.093 -13.573 -3.622 121 HE2 PHE 19 1HE PHE 19 -10.526 -14.492 -5.769 122 HZ PHE 19 HZ PHE 19 -12.559 -13.129 -5.497 123 H GLU 20 H GLU 20 -12.724 -17.634 0.849 124 HA GLU 20 HA GLU 20 -14.759 -15.739 0.867 125 HB2 GLU 20 1HB GLU 20 -13.976 -17.903 2.799 126 HB3 GLU 20 2HB GLU 20 -15.339 -16.845 3.135 127 HG2 GLU 20 1HG GLU 20 -16.137 -18.868 2.133 128 HG3 GLU 20 2HG GLU 20 -16.363 -17.534 1.002 129 H GLU 21 H GLU 21 -12.357 -16.313 3.445 130 HA GLU 21 HA GLU 21 -13.036 -14.033 4.947 131 HB2 GLU 21 1HB GLU 21 -10.492 -15.657 4.845 132 HB3 GLU 21 2HB GLU 21 -10.781 -14.375 6.014 133 HG2 GLU 21 1HG GLU 21 -12.726 -16.623 5.749 134 HG3 GLU 21 2HG GLU 21 -11.234 -16.841 6.661 135 H PHE 22 H PHE 22 -10.678 -14.558 2.381 136 HA PHE 22 HA PHE 22 -9.229 -12.196 2.571 137 HB2 PHE 22 1HB PHE 22 -8.417 -13.835 1.077 138 HB3 PHE 22 2HB PHE 22 -9.952 -13.934 0.221 139 HD1 PHE 22 2HD PHE 22 -8.126 -10.856 1.166 140 HD2 PHE 22 1HD PHE 22 -9.284 -13.483 -1.976 141 HE1 PHE 22 2HE PHE 22 -7.303 -9.233 -0.489 142 HE2 PHE 22 1HE PHE 22 -8.462 -11.865 -3.637 143 HZ PHE 22 HZ PHE 22 -7.471 -9.736 -2.894 144 H ASP 23 H ASP 23 -12.039 -12.828 0.466 145 HA ASP 23 HA ASP 23 -12.347 -10.277 -0.561 146 HB2 ASP 23 1HB ASP 23 -13.594 -12.410 -1.204 147 HB3 ASP 23 2HB ASP 23 -14.676 -12.060 0.142 148 H LYS 24 H LYS 24 -13.721 -11.645 2.410 149 HA LYS 24 HA LYS 24 -15.304 -9.504 3.191 150 HB2 LYS 24 1HB LYS 24 -14.988 -11.862 4.245 151 HB3 LYS 24 2HB LYS 24 -13.729 -11.087 5.198 152 HG2 LYS 24 1HG LYS 24 -15.600 -10.966 6.561 153 HG3 LYS 24 2HG LYS 24 -15.535 -9.368 5.813 154 HD2 LYS 24 1HD LYS 24 -17.764 -9.905 5.561 155 HD3 LYS 24 2HD LYS 24 -17.095 -10.458 4.024 156 HE2 LYS 24 1HE LYS 24 -16.899 -12.737 5.005 157 HE3 LYS 24 2HE LYS 24 -17.725 -12.143 6.444 158 HZ1 LYS 24 1HZ LYS 24 -19.706 -11.980 5.356 159 HZ2 LYS 24 2HZ LYS 24 -19.039 -13.287 4.514 160 HZ3 LYS 24 3HZ LYS 24 -19.001 -11.737 3.837 161 H ALA 25 H ALA 25 -11.846 -10.035 3.658 162 HA ALA 25 HA ALA 25 -11.392 -7.819 5.354 163 HB1 ALA 25 1HB ALA 25 -9.154 -8.323 5.196 164 HB2 ALA 25 2HB ALA 25 -9.883 -9.874 4.778 165 HB3 ALA 25 3HB ALA 25 -9.273 -8.815 3.506 166 H VAL 26 H VAL 26 -11.043 -8.233 1.840 167 HA VAL 26 HA VAL 26 -10.062 -5.696 1.233 168 HB VAL 26 HB VAL 26 -11.870 -7.432 -0.455 169 HG11 VAL 26 1HG1 VAL 26 -10.172 -5.977 -2.102 170 HG12 VAL 26 2HG1 VAL 26 -11.900 -5.707 -1.863 171 HG13 VAL 26 3HG1 VAL 26 -10.724 -4.813 -0.898 172 HG21 VAL 26 1HG2 VAL 26 -9.062 -7.351 -1.165 173 HG22 VAL 26 2HG2 VAL 26 -9.311 -7.962 0.470 174 HG23 VAL 26 3HG2 VAL 26 -10.116 -8.738 -0.893 175 H LYS 27 H LYS 27 -13.440 -6.835 1.155 176 HA LYS 27 HA LYS 27 -14.662 -4.453 0.451 177 HB2 LYS 27 1HB LYS 27 -15.572 -6.805 2.082 178 HB3 LYS 27 2HB LYS 27 -16.622 -5.410 1.870 179 HG2 LYS 27 1HG LYS 27 -16.505 -5.694 -0.557 180 HG3 LYS 27 2HG LYS 27 -15.463 -7.101 -0.337 181 HD2 LYS 27 1HD LYS 27 -18.099 -7.028 1.055 182 HD3 LYS 27 2HD LYS 27 -18.058 -7.374 -0.676 183 HE2 LYS 27 1HE LYS 27 -16.359 -9.159 -0.165 184 HE3 LYS 27 2HE LYS 27 -16.700 -8.893 1.544 185 HZ1 LYS 27 1HZ LYS 27 -18.504 -10.146 1.393 186 HZ2 LYS 27 2HZ LYS 27 -18.066 -10.548 -0.190 187 HZ3 LYS 27 3HZ LYS 27 -19.108 -9.246 0.094 188 H GLU 28 H GLU 28 -13.331 -5.443 3.512 189 HA GLU 28 HA GLU 28 -14.611 -3.383 5.047 190 HB2 GLU 28 1HB GLU 28 -12.545 -5.467 5.558 191 HB3 GLU 28 2HB GLU 28 -12.604 -4.089 6.648 192 HG2 GLU 28 1HG GLU 28 -14.976 -5.825 6.013 193 HG3 GLU 28 2HG GLU 28 -13.907 -6.077 7.392 194 H HIS 29 H HIS 29 -11.627 -3.727 3.272 195 HA HIS 29 HA HIS 29 -10.838 -1.017 4.118 196 HB2 HIS 29 1HB HIS 29 -8.966 -3.006 2.855 197 HB3 HIS 29 2HB HIS 29 -8.573 -1.587 3.820 198 HD1 HIS 29 1HD HIS 29 -9.358 -1.818 6.445 199 HD2 HIS 29 2HD HIS 29 -8.925 -5.323 4.256 200 HE1 HIS 29 1HE HIS 29 -9.155 -3.655 8.150 201 HE2 HIS 29 2HE HIS 29 -8.808 -5.755 6.803 202 H GLU 30 H GLU 30 -12.774 -1.479 2.094 203 HA GLU 30 HA GLU 30 -11.454 -1.157 -0.460 204 HB2 GLU 30 1HB GLU 30 -13.644 -1.163 -1.420 205 HB3 GLU 30 2HB GLU 30 -13.608 -2.407 -0.179 206 HG2 GLU 30 1HG GLU 30 -14.716 -0.839 1.373 207 HG3 GLU 30 2HG GLU 30 -14.830 0.332 0.061 208 H SER 31 H SER 31 -10.903 0.840 1.553 209 HA SER 31 HA SER 31 -12.040 3.212 0.222 210 HB2 SER 31 1HB SER 31 -10.997 3.293 3.038 211 HB3 SER 31 2HB SER 31 -12.154 4.366 2.251 212 HG SER 31 HG SER 31 -13.201 2.950 3.687 213 H LYS 32 H LYS 32 -9.207 1.601 1.432 214 HA LYS 32 HA LYS 32 -7.543 3.692 0.194 215 HB2 LYS 32 1HB LYS 32 -6.601 2.098 2.561 216 HB3 LYS 32 2HB LYS 32 -5.967 3.613 1.932 217 HG2 LYS 32 1HG LYS 32 -7.513 4.873 3.011 218 HG3 LYS 32 2HG LYS 32 -8.756 3.622 2.925 219 HD2 LYS 32 1HD LYS 32 -6.354 3.609 4.752 220 HD3 LYS 32 2HD LYS 32 -8.013 3.980 5.227 221 HE2 LYS 32 1HE LYS 32 -8.549 1.645 4.233 222 HE3 LYS 32 2HE LYS 32 -6.818 1.362 4.403 223 HZ1 LYS 32 1HZ LYS 32 -7.576 2.424 6.803 224 HZ2 LYS 32 2HZ LYS 32 -7.271 0.791 6.487 225 HZ3 LYS 32 3HZ LYS 32 -8.852 1.387 6.405 226 H THR 33 H THR 33 -5.189 2.747 -0.048 227 HA THR 33 HA THR 33 -5.254 0.787 -2.005 228 HB THR 33 HB THR 33 -2.924 1.509 -0.217 229 HG1 THR 33 1HG THR 33 -3.597 3.318 -1.335 230 HG21 THR 33 1HG2 THR 33 -2.396 -0.543 -1.302 231 HG22 THR 33 2HG2 THR 33 -1.586 0.731 -2.214 232 HG23 THR 33 3HG2 THR 33 -3.075 0.014 -2.830 233 H ILE 34 H ILE 34 -5.066 -1.397 -2.049 234 HA ILE 34 HA ILE 34 -4.856 -2.778 0.547 235 HB ILE 34 HB ILE 34 -6.577 -3.503 -1.823 236 HG12 ILE 34 1HG1 ILE 34 -7.310 -2.917 1.053 237 HG13 ILE 34 2HG1 ILE 34 -7.445 -1.759 -0.267 238 HG21 ILE 34 1HG2 ILE 34 -6.418 -5.631 -1.218 239 HG22 ILE 34 2HG2 ILE 34 -5.357 -5.204 0.123 240 HG23 ILE 34 3HG2 ILE 34 -7.106 -5.210 0.350 241 HD11 ILE 34 1HD1 ILE 34 -8.858 -3.814 -1.280 242 HD12 ILE 34 2HD1 ILE 34 -9.163 -4.029 0.444 243 HD13 ILE 34 3HD1 ILE 34 -9.558 -2.498 -0.338 244 H PHE 35 H PHE 35 -3.453 -4.441 0.701 245 HA PHE 35 HA PHE 35 -2.111 -5.326 -1.767 246 HB2 PHE 35 1HB PHE 35 -0.937 -4.510 0.872 247 HB3 PHE 35 2HB PHE 35 -0.089 -5.662 -0.154 248 HD1 PHE 35 2HD PHE 35 0.529 -4.964 -2.495 249 HD2 PHE 35 1HD PHE 35 -0.835 -2.213 0.452 250 HE1 PHE 35 2HE PHE 35 1.485 -3.105 -3.793 251 HE2 PHE 35 1HE PHE 35 0.118 -0.349 -0.842 252 HZ PHE 35 HZ PHE 35 1.281 -0.795 -2.967 253 H ALA 36 H ALA 36 -2.800 -7.339 -2.108 254 HA ALA 36 HA ALA 36 -3.251 -9.126 0.163 255 HB1 ALA 36 1HB ALA 36 -4.125 -9.108 -2.687 256 HB2 ALA 36 2HB ALA 36 -4.079 -10.637 -1.810 257 HB3 ALA 36 3HB ALA 36 -5.078 -9.310 -1.217 258 H TYR 37 H TYR 37 -1.845 -10.653 0.721 259 HA TYR 37 HA TYR 37 0.339 -11.282 -1.150 260 HB2 TYR 37 1HB TYR 37 1.092 -10.246 0.934 261 HB3 TYR 37 2HB TYR 37 0.266 -11.487 1.869 262 HD1 TYR 37 1HD TYR 37 2.702 -11.378 -0.974 263 HD2 TYR 37 2HD TYR 37 1.641 -13.091 2.773 264 HE1 TYR 37 1HE TYR 37 4.730 -12.769 -1.042 265 HE2 TYR 37 2HE TYR 37 3.666 -14.486 2.716 266 HH TYR 37 HH TYR 37 5.365 -15.213 1.426 267 H PHE 38 H PHE 38 -0.700 -12.940 -2.261 268 HA PHE 38 HA PHE 38 -1.934 -15.137 -0.898 269 HB2 PHE 38 1HB PHE 38 -1.010 -15.125 -3.769 270 HB3 PHE 38 2HB PHE 38 -2.316 -16.064 -3.053 271 HD1 PHE 38 1HD PHE 38 -4.170 -14.519 -1.876 272 HD2 PHE 38 2HD PHE 38 -1.608 -13.338 -5.063 273 HE1 PHE 38 1HE PHE 38 -5.778 -12.770 -2.516 274 HE2 PHE 38 2HE PHE 38 -3.211 -11.587 -5.707 275 HZ PHE 38 HZ PHE 38 -5.298 -11.300 -4.433 276 H SER 39 H SER 39 -0.953 -16.814 0.001 277 HA SER 39 HA SER 39 1.407 -17.989 -1.171 278 HB2 SER 39 1HB SER 39 2.730 -17.815 0.959 279 HB3 SER 39 2HB SER 39 2.502 -16.279 0.124 280 HG SER 39 HG SER 39 1.865 -16.866 2.610 281 H GLY 40 H GLY 40 2.121 -19.938 0.105 282 HA2 GLY 40 1HA GLY 40 -0.034 -21.661 0.536 283 HA3 GLY 40 2HA GLY 40 1.618 -21.967 1.050 284 H SER 41 H SER 41 -0.655 -22.798 2.485 285 HA SER 41 HA SER 41 -1.249 -20.993 4.609 286 HB2 SER 41 1HB SER 41 -2.279 -22.995 5.687 287 HB3 SER 41 2HB SER 41 -2.836 -22.733 4.034 288 HG SER 41 HG SER 41 -1.346 -24.336 3.365 289 H LYS 42 H LYS 42 -0.664 -21.218 6.833 290 HA LYS 42 HA LYS 42 2.114 -21.660 7.222 291 HB2 LYS 42 1HB LYS 42 -0.083 -21.259 9.261 292 HB3 LYS 42 2HB LYS 42 1.642 -21.163 9.591 293 HG2 LYS 42 1HG LYS 42 1.883 -19.168 8.438 294 HG3 LYS 42 2HG LYS 42 0.395 -19.405 7.518 295 HD2 LYS 42 1HD LYS 42 -0.897 -19.109 9.606 296 HD3 LYS 42 2HD LYS 42 0.610 -18.779 10.464 297 HE2 LYS 42 1HE LYS 42 -0.444 -16.691 9.911 298 HE3 LYS 42 2HE LYS 42 1.007 -16.874 8.927 299 HZ1 LYS 42 1HZ LYS 42 -0.684 -16.099 7.504 300 HZ2 LYS 42 2HZ LYS 42 -1.811 -17.221 8.081 301 HZ3 LYS 42 3HZ LYS 42 -0.504 -17.742 7.142 302 H ASP 43 H ASP 43 3.049 -23.111 8.842 303 HA ASP 43 HA ASP 43 1.819 -25.759 8.667 304 HB2 ASP 43 1HB ASP 43 4.611 -24.792 9.216 305 HB3 ASP 43 2HB ASP 43 4.133 -26.439 9.619 306 H THR 44 H THR 44 2.650 -27.144 10.729 307 HA THR 44 HA THR 44 0.995 -26.371 12.851 308 HB THR 44 HB THR 44 1.975 -28.206 14.119 309 HG1 THR 44 1HG THR 44 4.143 -27.640 12.697 310 HG21 THR 44 1HG2 THR 44 0.604 -29.413 12.830 311 HG22 THR 44 2HG2 THR 44 2.020 -29.821 11.861 312 HG23 THR 44 3HG2 THR 44 0.998 -28.461 11.399 313 H GLU 45 H GLU 45 4.057 -25.246 12.005 314 HA GLU 45 HA GLU 45 4.675 -24.408 14.750 315 HB2 GLU 45 1HB GLU 45 6.351 -25.563 13.055 316 HB3 GLU 45 2HB GLU 45 6.541 -23.914 12.474 317 HG2 GLU 45 1HG GLU 45 8.249 -24.464 14.101 318 HG3 GLU 45 2HG GLU 45 7.193 -23.190 14.706 319 H GLY 46 H GLY 46 3.231 -23.286 11.948 320 HA2 GLY 46 1HA GLY 46 2.200 -21.156 11.815 321 HA3 GLY 46 2HA GLY 46 3.406 -20.531 12.930 322 H LYS 47 H LYS 47 4.290 -22.483 10.179 323 HA LYS 47 HA LYS 47 5.173 -20.083 8.735 324 HB2 LYS 47 1HB LYS 47 7.329 -21.102 8.254 325 HB3 LYS 47 2HB LYS 47 7.094 -20.977 9.993 326 HG2 LYS 47 1HG LYS 47 6.843 -23.257 10.257 327 HG3 LYS 47 2HG LYS 47 6.390 -23.506 8.569 328 HD2 LYS 47 1HD LYS 47 8.821 -22.632 8.114 329 HD3 LYS 47 2HD LYS 47 9.093 -23.144 9.781 330 HE2 LYS 47 1HE LYS 47 8.729 -25.368 9.296 331 HE3 LYS 47 2HE LYS 47 7.746 -25.007 7.878 332 HZ1 LYS 47 1HZ LYS 47 9.691 -25.731 6.935 333 HZ2 LYS 47 2HZ LYS 47 10.673 -25.066 8.140 334 HZ3 LYS 47 3HZ LYS 47 9.970 -24.063 6.973 335 H SER 48 H SER 48 5.012 -20.185 6.542 336 HA SER 48 HA SER 48 3.280 -22.090 5.402 337 HB2 SER 48 1HB SER 48 5.048 -19.944 4.255 338 HB3 SER 48 2HB SER 48 4.159 -21.039 3.198 339 HG SER 48 HG SER 48 2.278 -20.366 4.579 340 H TRP 49 H TRP 49 3.621 -23.956 4.339 341 HA TRP 49 HA TRP 49 5.835 -25.513 4.710 342 HB2 TRP 49 1HB TRP 49 5.047 -26.750 2.599 343 HB3 TRP 49 2HB TRP 49 3.903 -26.602 3.930 344 HD1 TRP 49 HD TRP 49 1.859 -24.847 3.592 345 HE1 TRP 49 1HE TRP 49 0.738 -23.969 1.448 346 HE3 TRP 49 3HE TRP 49 5.476 -26.113 0.207 347 HZ2 TRP 49 2HZ TRP 49 1.310 -23.832 -1.312 348 HZ3 TRP 49 3HZ TRP 49 5.111 -25.574 -2.166 349 HH2 TRP 49 HH TRP 49 3.070 -24.457 -2.908 350 H CYS 50 H CYS 50 5.152 -23.458 1.892 351 HA CYS 50 HA CYS 50 7.401 -24.091 0.379 352 HB2 CYS 50 1HB CYS 50 5.421 -22.727 -0.367 353 HB3 CYS 50 2HB CYS 50 6.098 -21.368 0.522 354 HG CYS 50 HG CYS 50 8.192 -20.898 -1.085 355 HA PRO 51 HA PRO 51 10.715 -22.425 2.779 356 HB2 PRO 51 1HB PRO 51 12.621 -22.488 0.847 357 HB3 PRO 51 2HB PRO 51 12.052 -23.938 1.682 358 HG2 PRO 51 1HG PRO 51 11.277 -22.873 -1.006 359 HG3 PRO 51 2HG PRO 51 11.621 -24.543 -0.521 360 HD2 PRO 51 1HD PRO 51 9.099 -23.598 -0.801 361 HD3 PRO 51 2HD PRO 51 9.525 -24.844 0.390 362 H ASP 52 H ASP 52 10.373 -21.193 -0.552 363 HA ASP 52 HA ASP 52 11.744 -18.805 -0.248 364 HB2 ASP 52 1HB ASP 52 9.473 -19.633 -2.032 365 HB3 ASP 52 2HB ASP 52 10.095 -17.986 -2.080 366 H CYS 53 H CYS 53 8.267 -19.412 0.204 367 HA CYS 53 HA CYS 53 7.420 -16.874 0.835 368 HB2 CYS 53 1HB CYS 53 6.524 -19.596 1.708 369 HB3 CYS 53 2HB CYS 53 5.787 -18.171 2.430 370 HG CYS 53 HG CYS 53 4.909 -19.646 -0.271 371 H VAL 54 H VAL 54 8.840 -19.287 3.012 372 HA VAL 54 HA VAL 54 8.617 -17.767 5.376 373 HB VAL 54 HB VAL 54 10.613 -19.928 4.683 374 HG11 VAL 54 1HG1 VAL 54 10.085 -18.387 7.166 375 HG12 VAL 54 2HG1 VAL 54 10.442 -20.109 7.320 376 HG13 VAL 54 3HG1 VAL 54 11.599 -19.034 6.535 377 HG21 VAL 54 1HG2 VAL 54 7.832 -20.050 5.085 378 HG22 VAL 54 2HG2 VAL 54 8.968 -21.394 4.970 379 HG23 VAL 54 3HG2 VAL 54 8.578 -20.701 6.544 380 H GLU 55 H GLU 55 10.829 -17.633 2.725 381 HA GLU 55 HA GLU 55 12.705 -15.969 4.236 382 HB2 GLU 55 1HB GLU 55 13.578 -17.810 2.800 383 HB3 GLU 55 2HB GLU 55 12.923 -16.979 1.396 384 HG2 GLU 55 1HG GLU 55 14.372 -15.060 1.866 385 HG3 GLU 55 2HG GLU 55 15.047 -15.923 3.247 386 H ALA 56 H ALA 56 10.018 -15.667 2.238 387 HA ALA 56 HA ALA 56 10.820 -13.025 1.250 388 HB1 ALA 56 1HB ALA 56 8.562 -13.251 0.012 389 HB2 ALA 56 2HB ALA 56 9.935 -14.217 -0.531 390 HB3 ALA 56 3HB ALA 56 8.675 -14.954 0.458 391 H GLU 57 H GLU 57 8.812 -14.581 3.579 392 HA GLU 57 HA GLU 57 6.805 -12.708 3.988 393 HB2 GLU 57 1HB GLU 57 7.468 -15.047 5.163 394 HB3 GLU 57 2HB GLU 57 7.981 -13.926 6.416 395 HG2 GLU 57 1HG GLU 57 5.735 -12.936 6.429 396 HG3 GLU 57 2HG GLU 57 5.228 -14.108 5.213 397 HA PRO 58 HA PRO 58 9.777 -10.476 7.103 398 HB2 PRO 58 1HB PRO 58 12.420 -11.049 6.871 399 HB3 PRO 58 2HB PRO 58 11.334 -11.944 7.939 400 HG2 PRO 58 1HG PRO 58 12.319 -12.662 5.205 401 HG3 PRO 58 2HG PRO 58 12.156 -13.690 6.641 402 HD2 PRO 58 1HD PRO 58 10.341 -13.697 4.631 403 HD3 PRO 58 2HD PRO 58 9.893 -13.991 6.324 404 H VAL 59 H VAL 59 10.458 -11.096 3.786 405 HA VAL 59 HA VAL 59 11.990 -8.659 3.405 406 HB VAL 59 HB VAL 59 10.916 -10.482 1.256 407 HG11 VAL 59 1HG1 VAL 59 11.675 -8.622 0.153 408 HG12 VAL 59 2HG1 VAL 59 12.896 -8.260 1.375 409 HG13 VAL 59 3HG1 VAL 59 13.158 -9.574 0.227 410 HG21 VAL 59 1HG2 VAL 59 12.302 -11.648 3.041 411 HG22 VAL 59 2HG2 VAL 59 12.863 -11.803 1.376 412 HG23 VAL 59 3HG2 VAL 59 13.658 -10.674 2.473 413 H ILE 60 H ILE 60 8.725 -9.813 3.005 414 HA ILE 60 HA ILE 60 7.917 -7.468 1.490 415 HB ILE 60 HB ILE 60 6.283 -9.775 2.553 416 HG12 ILE 60 1HG1 ILE 60 7.479 -9.152 -0.144 417 HG13 ILE 60 2HG1 ILE 60 7.710 -10.593 0.841 418 HG21 ILE 60 1HG2 ILE 60 5.372 -7.271 1.859 419 HG22 ILE 60 2HG2 ILE 60 5.145 -8.209 0.384 420 HG23 ILE 60 3HG2 ILE 60 4.413 -8.751 1.894 421 HD11 ILE 60 1HD1 ILE 60 6.201 -11.516 -0.510 422 HD12 ILE 60 2HD1 ILE 60 5.013 -10.605 0.424 423 HD13 ILE 60 3HD1 ILE 60 5.630 -9.953 -1.094 424 H ARG 61 H ARG 61 7.183 -8.936 4.649 425 HA ARG 61 HA ARG 61 5.462 -6.953 5.591 426 HB2 ARG 61 1HB ARG 61 6.175 -9.297 6.574 427 HB3 ARG 61 2HB ARG 61 7.328 -8.325 7.478 428 HG2 ARG 61 1HG ARG 61 5.676 -7.228 8.664 429 HG3 ARG 61 2HG ARG 61 4.434 -7.588 7.463 430 HD2 ARG 61 1HD ARG 61 4.073 -9.695 8.266 431 HD3 ARG 61 2HD ARG 61 5.727 -9.872 8.851 432 HE ARG 61 HE ARG 61 3.481 -8.892 10.318 433 HH11 ARG 61 2HH1 ARG 61 6.938 -8.656 9.976 434 HH12 ARG 61 1HH1 ARG 61 7.197 -8.156 11.614 435 HH21 ARG 61 2HH2 ARG 61 3.810 -8.234 12.477 436 HH22 ARG 61 1HH2 ARG 61 5.417 -7.917 13.037 437 H GLU 62 H GLU 62 8.914 -6.999 5.292 438 HA GLU 62 HA GLU 62 9.358 -4.793 7.093 439 HB2 GLU 62 1HB GLU 62 11.130 -6.251 5.137 440 HB3 GLU 62 2HB GLU 62 11.684 -4.861 6.059 441 HG2 GLU 62 1HG GLU 62 10.575 -7.361 7.307 442 HG3 GLU 62 2HG GLU 62 12.291 -7.076 7.024 443 H GLY 63 H GLY 63 9.321 -5.268 3.575 444 HA2 GLY 63 1HA GLY 63 10.017 -2.641 2.855 445 HA3 GLY 63 2HA GLY 63 9.131 -3.773 1.844 446 H LEU 64 H LEU 64 6.912 -4.071 3.680 447 HA LEU 64 HA LEU 64 5.145 -2.209 2.719 448 HB2 LEU 64 1HB LEU 64 5.183 -3.939 5.140 449 HB3 LEU 64 2HB LEU 64 3.920 -2.718 4.999 450 HG LEU 64 HG LEU 64 4.391 -4.703 2.802 451 HD11 LEU 64 1HD1 LEU 64 2.215 -5.406 4.567 452 HD12 LEU 64 2HD1 LEU 64 3.769 -5.459 5.399 453 HD13 LEU 64 3HD1 LEU 64 3.522 -6.406 3.932 454 HD21 LEU 64 1HD2 LEU 64 2.952 -2.679 2.479 455 HD22 LEU 64 2HD2 LEU 64 1.880 -3.318 3.726 456 HD23 LEU 64 3HD2 LEU 64 2.129 -4.218 2.229 457 H LYS 65 H LYS 65 7.462 -1.837 5.255 458 HA LYS 65 HA LYS 65 6.272 0.418 6.525 459 HB2 LYS 65 1HB LYS 65 8.897 -0.968 6.627 460 HB3 LYS 65 2HB LYS 65 8.857 0.702 7.177 461 HG2 LYS 65 1HG LYS 65 6.759 -1.096 8.227 462 HG3 LYS 65 2HG LYS 65 8.410 -1.371 8.789 463 HD2 LYS 65 1HD LYS 65 7.554 0.135 10.345 464 HD3 LYS 65 2HD LYS 65 8.448 1.169 9.229 465 HE2 LYS 65 1HE LYS 65 6.356 1.688 8.055 466 HE3 LYS 65 2HE LYS 65 5.472 0.671 9.192 467 HZ1 LYS 65 1HZ LYS 65 5.999 2.137 10.964 468 HZ2 LYS 65 2HZ LYS 65 5.414 3.091 9.696 469 HZ3 LYS 65 3HZ LYS 65 7.075 3.029 10.010 470 H HIS 66 H HIS 66 8.622 -0.002 3.930 471 HA HIS 66 HA HIS 66 9.376 2.705 3.688 472 HB2 HIS 66 1HB HIS 66 9.388 0.449 1.677 473 HB3 HIS 66 2HB HIS 66 10.099 2.032 1.374 474 HD1 HIS 66 1HD HIS 66 12.485 2.268 1.999 475 HD2 HIS 66 2HD HIS 66 10.657 -0.880 4.003 476 HE1 HIS 66 1HE HIS 66 14.322 1.134 3.288 477 HE2 HIS 66 2HE HIS 66 13.209 -0.818 4.425 478 H VAL 67 H VAL 67 6.547 0.996 2.735 479 HA VAL 67 HA VAL 67 5.582 2.287 0.542 480 HB VAL 67 HB VAL 67 4.444 0.509 2.034 481 HG11 VAL 67 1HG1 VAL 67 2.838 1.270 3.618 482 HG12 VAL 67 2HG1 VAL 67 4.374 2.038 4.025 483 HG13 VAL 67 3HG1 VAL 67 3.122 2.957 3.188 484 HG21 VAL 67 1HG2 VAL 67 2.237 2.171 1.240 485 HG22 VAL 67 2HG2 VAL 67 3.519 2.235 0.031 486 HG23 VAL 67 3HG2 VAL 67 2.835 0.681 0.508 487 H THR 68 H THR 68 4.518 4.189 0.079 488 HA THR 68 HA THR 68 4.606 6.257 2.179 489 HB THR 68 HB THR 68 6.271 6.525 0.274 490 HG1 THR 68 1HG THR 68 5.538 8.280 1.610 491 HG21 THR 68 1HG2 THR 68 4.523 7.827 -1.539 492 HG22 THR 68 2HG2 THR 68 3.887 6.207 -1.256 493 HG23 THR 68 3HG2 THR 68 5.542 6.417 -1.826 494 H GLU 69 H GLU 69 2.387 4.492 1.521 495 HA GLU 69 HA GLU 69 0.370 6.535 1.137 496 HB2 GLU 69 1HB GLU 69 -0.804 5.313 -0.642 497 HB3 GLU 69 2HB GLU 69 0.791 5.843 -1.161 498 HG2 GLU 69 1HG GLU 69 1.587 3.506 -0.530 499 HG3 GLU 69 2HG GLU 69 -0.121 3.075 -0.464 500 H ASP 70 H ASP 70 -1.324 6.169 2.423 501 HA ASP 70 HA ASP 70 -1.370 4.136 4.313 502 HB2 ASP 70 1HB ASP 70 -3.855 4.788 4.529 503 HB3 ASP 70 2HB ASP 70 -2.647 6.035 4.827 504 H CYS 71 H CYS 71 -1.323 2.047 3.713 505 HA CYS 71 HA CYS 71 -3.520 1.092 2.000 506 HB2 CYS 71 1HB CYS 71 -2.071 -0.527 0.981 507 HB3 CYS 71 2HB CYS 71 -1.290 1.045 0.852 508 HG CYS 71 HG CYS 71 -0.493 -1.304 3.211 509 H VAL 72 H VAL 72 -3.800 -1.367 2.277 510 HA VAL 72 HA VAL 72 -3.462 -2.089 5.113 511 HB VAL 72 HB VAL 72 -5.902 -2.709 3.446 512 HG11 VAL 72 1HG1 VAL 72 -5.549 -3.000 6.419 513 HG12 VAL 72 2HG1 VAL 72 -6.849 -3.631 5.406 514 HG13 VAL 72 3HG1 VAL 72 -5.226 -4.310 5.284 515 HG21 VAL 72 1HG2 VAL 72 -6.910 -1.133 5.297 516 HG22 VAL 72 2HG2 VAL 72 -5.274 -0.475 5.313 517 HG23 VAL 72 3HG2 VAL 72 -6.212 -0.468 3.820 518 H PHE 73 H PHE 73 -2.022 -3.695 5.113 519 HA PHE 73 HA PHE 73 -1.684 -5.502 2.933 520 HB2 PHE 73 1HB PHE 73 0.164 -4.839 4.448 521 HB3 PHE 73 2HB PHE 73 -0.623 -5.712 5.759 522 HD1 PHE 73 2HD PHE 73 0.709 -6.223 2.321 523 HD2 PHE 73 1HD PHE 73 -0.075 -7.920 6.145 524 HE1 PHE 73 2HE PHE 73 1.875 -8.280 1.643 525 HE2 PHE 73 1HE PHE 73 1.091 -9.980 5.474 526 HZ PHE 73 HZ PHE 73 2.067 -10.163 3.220 527 H ILE 74 H ILE 74 -2.303 -7.616 2.716 528 HA ILE 74 HA ILE 74 -3.949 -8.797 4.837 529 HB ILE 74 HB ILE 74 -4.773 -8.744 1.932 530 HG12 ILE 74 1HG1 ILE 74 -6.088 -7.375 4.284 531 HG13 ILE 74 2HG1 ILE 74 -5.012 -6.559 3.154 532 HG21 ILE 74 1HG2 ILE 74 -5.328 -10.699 3.658 533 HG22 ILE 74 2HG2 ILE 74 -6.616 -9.576 4.091 534 HG23 ILE 74 3HG2 ILE 74 -6.475 -10.158 2.432 535 HD11 ILE 74 1HD1 ILE 74 -7.428 -6.224 2.703 536 HD12 ILE 74 2HD1 ILE 74 -6.533 -6.918 1.351 537 HD13 ILE 74 3HD1 ILE 74 -7.555 -7.948 2.353 538 H TYR 75 H TYR 75 -2.850 -10.571 5.366 539 HA TYR 75 HA TYR 75 -1.305 -12.029 3.404 540 HB2 TYR 75 1HB TYR 75 -0.596 -11.621 5.815 541 HB3 TYR 75 2HB TYR 75 -1.795 -12.824 6.273 542 HD1 TYR 75 1HD TYR 75 -1.576 -15.159 5.202 543 HD2 TYR 75 2HD TYR 75 1.559 -12.282 5.216 544 HE1 TYR 75 1HE TYR 75 0.061 -16.950 4.798 545 HE2 TYR 75 2HE TYR 75 3.204 -14.065 4.811 546 HH TYR 75 HH TYR 75 3.494 -16.366 4.940 547 H CYS 76 H CYS 76 -2.865 -12.862 2.000 548 HA CYS 76 HA CYS 76 -4.914 -14.627 3.076 549 HB2 CYS 76 1HB CYS 76 -5.505 -13.078 1.257 550 HB3 CYS 76 2HB CYS 76 -4.308 -13.841 0.218 551 HG CYS 76 HG CYS 76 -5.627 -16.156 -0.188 552 H GLN 77 H GLN 77 -4.713 -16.762 3.211 553 HA GLN 77 HA GLN 77 -2.334 -18.014 2.067 554 HB2 GLN 77 1HB GLN 77 -4.317 -18.926 4.150 555 HB3 GLN 77 2HB GLN 77 -3.048 -19.964 3.516 556 HG2 GLN 77 1HG GLN 77 -1.360 -18.725 4.505 557 HG3 GLN 77 2HG GLN 77 -2.380 -17.299 4.688 558 HE21 GLN 77 1HE2 GLN 77 -4.010 -17.322 6.314 559 HE22 GLN 77 2HE2 GLN 77 -3.840 -18.327 7.709 560 H VAL 78 H VAL 78 -2.496 -18.962 0.154 561 HA VAL 78 HA VAL 78 -4.843 -19.423 -1.257 562 HB VAL 78 HB VAL 78 -3.513 -20.863 -2.746 563 HG11 VAL 78 1HG1 VAL 78 -1.677 -18.622 -2.066 564 HG12 VAL 78 2HG1 VAL 78 -2.296 -19.141 -3.635 565 HG13 VAL 78 3HG1 VAL 78 -3.335 -18.241 -2.529 566 HG21 VAL 78 1HG2 VAL 78 -1.396 -20.574 -0.618 567 HG22 VAL 78 2HG2 VAL 78 -2.187 -22.064 -1.132 568 HG23 VAL 78 3HG2 VAL 78 -1.110 -21.211 -2.237 569 H GLY 79 H GLY 79 -2.954 -21.651 0.757 570 HA2 GLY 79 1HA GLY 79 -4.807 -23.124 1.942 571 HA3 GLY 79 2HA GLY 79 -4.910 -23.772 0.312 572 H ASP 80 H ASP 80 -4.229 -25.825 0.925 573 HA ASP 80 HA ASP 80 -1.765 -26.223 2.341 574 HB2 ASP 80 1HB ASP 80 -3.232 -28.319 0.748 575 HB3 ASP 80 2HB ASP 80 -2.206 -28.542 2.163 576 H LYS 81 H LYS 81 -0.078 -27.733 1.371 577 HA LYS 81 HA LYS 81 1.187 -26.474 -0.769 578 HB2 LYS 81 1HB LYS 81 2.703 -27.689 0.426 579 HB3 LYS 81 2HB LYS 81 1.571 -29.000 0.734 580 HG2 LYS 81 1HG LYS 81 1.949 -29.951 -1.400 581 HG3 LYS 81 2HG LYS 81 2.825 -28.522 -1.955 582 HD2 LYS 81 1HD LYS 81 4.364 -29.115 0.118 583 HD3 LYS 81 2HD LYS 81 3.713 -30.730 -0.170 584 HE2 LYS 81 1HE LYS 81 4.839 -29.113 -2.425 585 HE3 LYS 81 2HE LYS 81 5.906 -30.016 -1.351 586 HZ1 LYS 81 1HZ LYS 81 3.605 -31.376 -2.573 587 HZ2 LYS 81 2HZ LYS 81 5.087 -32.018 -2.072 588 HZ3 LYS 81 3HZ LYS 81 4.996 -31.115 -3.499 589 HA PRO 82 HA PRO 82 -0.295 -30.094 -3.607 590 HB2 PRO 82 1HB PRO 82 -2.198 -31.755 -2.613 591 HB3 PRO 82 2HB PRO 82 -0.467 -32.048 -2.411 592 HG2 PRO 82 1HG PRO 82 -2.422 -30.852 -0.486 593 HG3 PRO 82 2HG PRO 82 -1.138 -32.038 -0.185 594 HD2 PRO 82 1HD PRO 82 -0.858 -29.408 0.395 595 HD3 PRO 82 2HD PRO 82 0.507 -30.425 -0.111 596 H TYR 83 H TYR 83 -2.237 -28.080 -1.694 597 HA TYR 83 HA TYR 83 -4.620 -28.316 -3.326 598 HB2 TYR 83 1HB TYR 83 -5.037 -27.879 -1.028 599 HB3 TYR 83 2HB TYR 83 -3.871 -26.561 -0.990 600 HD1 TYR 83 2HD TYR 83 -4.405 -24.458 -2.326 601 HD2 TYR 83 1HD TYR 83 -7.297 -27.467 -1.499 602 HE1 TYR 83 2HE TYR 83 -6.205 -22.848 -2.793 603 HE2 TYR 83 1HE TYR 83 -9.105 -25.866 -1.965 604 HH TYR 83 HH TYR 83 -8.420 -22.620 -3.167 605 H TRP 84 H TRP 84 -1.915 -26.108 -2.909 606 HA TRP 84 HA TRP 84 -2.839 -23.945 -4.400 607 HB2 TRP 84 1HB TRP 84 -0.854 -23.603 -3.180 608 HB3 TRP 84 2HB TRP 84 -0.080 -25.025 -3.873 609 HD1 TRP 84 HD TRP 84 1.869 -24.238 -5.323 610 HE1 TRP 84 1HE TRP 84 2.249 -22.376 -7.059 611 HE3 TRP 84 3HE TRP 84 -2.672 -21.909 -5.023 612 HZ2 TRP 84 2HZ TRP 84 0.815 -20.207 -8.156 613 HZ3 TRP 84 3HZ TRP 84 -3.088 -19.947 -6.449 614 HH2 TRP 84 HH TRP 84 -1.379 -19.115 -7.982 615 H LYS 85 H LYS 85 -0.931 -26.749 -5.486 616 HA LYS 85 HA LYS 85 -0.566 -26.164 -8.122 617 HB2 LYS 85 1HB LYS 85 -1.082 -28.736 -6.684 618 HB3 LYS 85 2HB LYS 85 -0.996 -28.742 -8.441 619 HG2 LYS 85 1HG LYS 85 1.244 -27.858 -8.381 620 HG3 LYS 85 2HG LYS 85 1.163 -27.688 -6.625 621 HD2 LYS 85 1HD LYS 85 0.708 -30.360 -7.890 622 HD3 LYS 85 2HD LYS 85 2.353 -29.755 -7.678 623 HE2 LYS 85 1HE LYS 85 1.510 -29.284 -5.231 624 HE3 LYS 85 2HE LYS 85 0.327 -30.528 -5.632 625 HZ1 LYS 85 1HZ LYS 85 2.486 -31.767 -6.430 626 HZ2 LYS 85 2HZ LYS 85 1.992 -31.815 -4.813 627 HZ3 LYS 85 3HZ LYS 85 3.223 -30.757 -5.290 628 H ASP 86 H ASP 86 -3.519 -27.350 -6.602 629 HA ASP 86 HA ASP 86 -5.109 -28.075 -8.654 630 HB2 ASP 86 1HB ASP 86 -6.069 -26.120 -6.564 631 HB3 ASP 86 2HB ASP 86 -7.007 -27.360 -7.392 632 HA PRO 87 HA PRO 87 -4.669 -24.395 -11.250 633 HB2 PRO 87 1HB PRO 87 -5.516 -25.633 -13.512 634 HB3 PRO 87 2HB PRO 87 -3.863 -25.771 -12.903 635 HG2 PRO 87 1HG PRO 87 -6.154 -27.677 -12.615 636 HG3 PRO 87 2HG PRO 87 -4.454 -28.019 -12.987 637 HD2 PRO 87 1HD PRO 87 -5.497 -28.340 -10.508 638 HD3 PRO 87 2HD PRO 87 -3.809 -27.860 -10.780 639 H ASN 88 H ASN 88 -7.335 -26.153 -10.176 640 HA ASN 88 HA ASN 88 -9.244 -24.452 -11.620 641 HB2 ASN 88 1HB ASN 88 -10.918 -26.095 -10.491 642 HB3 ASN 88 2HB ASN 88 -9.966 -26.655 -11.862 643 HD21 ASN 88 1HD2 ASN 88 -8.805 -28.437 -11.626 644 HD22 ASN 88 2HD2 ASN 88 -8.464 -29.221 -10.125 645 H ASN 89 H ASN 89 -7.527 -23.658 -9.303 646 HA ASN 89 HA ASN 89 -9.432 -23.273 -7.147 647 HB2 ASN 89 1HB ASN 89 -6.507 -22.824 -7.514 648 HB3 ASN 89 2HB ASN 89 -7.342 -21.861 -6.299 649 HD21 ASN 89 1HD2 ASN 89 -5.346 -23.644 -5.644 650 HD22 ASN 89 2HD2 ASN 89 -6.026 -24.954 -4.746 651 H ASP 90 H ASP 90 -10.381 -21.367 -6.576 652 HA ASP 90 HA ASP 90 -11.024 -19.490 -8.490 653 HB2 ASP 90 1HB ASP 90 -11.055 -19.402 -5.486 654 HB3 ASP 90 2HB ASP 90 -11.532 -17.993 -6.429 655 H PHE 91 H PHE 91 -8.133 -19.777 -6.673 656 HA PHE 91 HA PHE 91 -7.290 -17.067 -6.762 657 HB2 PHE 91 1HB PHE 91 -5.738 -19.642 -6.455 658 HB3 PHE 91 2HB PHE 91 -5.014 -18.043 -6.316 659 HD1 PHE 91 2HD PHE 91 -6.119 -16.448 -4.580 660 HD2 PHE 91 1HD PHE 91 -6.564 -20.681 -4.573 661 HE1 PHE 91 2HE PHE 91 -6.734 -16.376 -2.199 662 HE2 PHE 91 1HE PHE 91 -7.181 -20.616 -2.192 663 HZ PHE 91 HZ PHE 91 -7.266 -18.462 -1.002 664 H ARG 92 H ARG 92 -6.603 -19.883 -8.812 665 HA ARG 92 HA ARG 92 -5.094 -18.252 -10.677 666 HB2 ARG 92 1HB ARG 92 -5.876 -21.168 -10.850 667 HB3 ARG 92 2HB ARG 92 -4.721 -20.342 -11.887 668 HG2 ARG 92 1HG ARG 92 -3.114 -20.229 -10.238 669 HG3 ARG 92 2HG ARG 92 -4.294 -20.383 -8.935 670 HD2 ARG 92 1HD ARG 92 -4.527 -22.684 -9.260 671 HD3 ARG 92 2HD ARG 92 -3.825 -22.618 -10.876 672 HE ARG 92 HE ARG 92 -2.411 -22.791 -8.369 673 HH11 ARG 92 2HH1 ARG 92 -2.224 -21.939 -11.739 674 HH12 ARG 92 1HH1 ARG 92 -0.506 -22.139 -11.829 675 HH21 ARG 92 2HH2 ARG 92 -0.148 -23.058 -8.474 676 HH22 ARG 92 1HH2 ARG 92 0.674 -22.776 -9.971 677 H GLN 93 H GLN 93 -8.306 -18.860 -10.137 678 HA GLN 93 HA GLN 93 -9.016 -18.637 -12.981 679 HB2 GLN 93 1HB GLN 93 -10.831 -19.326 -10.666 680 HB3 GLN 93 2HB GLN 93 -11.218 -19.426 -12.378 681 HG2 GLN 93 1HG GLN 93 -8.940 -21.009 -11.286 682 HG3 GLN 93 2HG GLN 93 -10.594 -21.567 -11.043 683 HE21 GLN 93 1HE2 GLN 93 -8.196 -22.437 -12.730 684 HE22 GLN 93 2HE2 GLN 93 -8.880 -22.707 -14.293 685 H LYS 94 H LYS 94 -10.241 -17.454 -9.843 686 HA LYS 94 HA LYS 94 -11.510 -15.188 -11.040 687 HB2 LYS 94 1HB LYS 94 -10.886 -15.657 -8.121 688 HB3 LYS 94 2HB LYS 94 -12.073 -14.536 -8.776 689 HG2 LYS 94 1HG LYS 94 -12.355 -17.397 -9.493 690 HG3 LYS 94 2HG LYS 94 -12.737 -16.922 -7.836 691 HD2 LYS 94 1HD LYS 94 -14.781 -16.573 -8.770 692 HD3 LYS 94 2HD LYS 94 -14.062 -15.000 -9.123 693 HE2 LYS 94 1HE LYS 94 -13.396 -15.855 -11.349 694 HE3 LYS 94 2HE LYS 94 -14.227 -17.367 -10.986 695 HZ1 LYS 94 1HZ LYS 94 -15.385 -14.690 -11.432 696 HZ2 LYS 94 2HZ LYS 94 -16.248 -15.875 -10.588 697 HZ3 LYS 94 3HZ LYS 94 -15.773 -16.153 -12.188 698 H LEU 95 H LEU 95 -8.732 -15.518 -8.827 699 HA LEU 95 HA LEU 95 -7.965 -12.769 -9.225 700 HB2 LEU 95 1HB LEU 95 -6.690 -15.066 -7.757 701 HB3 LEU 95 2HB LEU 95 -5.967 -13.461 -7.850 702 HG LEU 95 HG LEU 95 -8.667 -14.046 -6.637 703 HD11 LEU 95 1HD1 LEU 95 -6.931 -13.227 -4.641 704 HD12 LEU 95 2HD1 LEU 95 -5.992 -14.385 -5.583 705 HD13 LEU 95 3HD1 LEU 95 -7.546 -14.860 -4.898 706 HD21 LEU 95 1HD2 LEU 95 -8.442 -11.774 -7.465 707 HD22 LEU 95 2HD2 LEU 95 -6.916 -11.589 -6.601 708 HD23 LEU 95 3HD2 LEU 95 -8.421 -11.790 -5.702 709 H LYS 96 H LYS 96 -7.253 -15.810 -10.669 710 HA LYS 96 HA LYS 96 -5.891 -16.442 -12.378 711 HB2 LYS 96 1HB LYS 96 -5.765 -13.466 -12.898 712 HB3 LYS 96 2HB LYS 96 -5.270 -14.720 -14.027 713 HG2 LYS 96 1HG LYS 96 -8.061 -14.614 -12.943 714 HG3 LYS 96 2HG LYS 96 -7.572 -13.651 -14.339 715 HD2 LYS 96 1HD LYS 96 -7.031 -16.597 -14.249 716 HD3 LYS 96 2HD LYS 96 -8.616 -15.987 -14.729 717 HE2 LYS 96 1HE LYS 96 -7.487 -14.593 -16.452 718 HE3 LYS 96 2HE LYS 96 -5.963 -15.368 -16.022 719 HZ1 LYS 96 1HZ LYS 96 -7.780 -17.405 -16.475 720 HZ2 LYS 96 2HZ LYS 96 -6.473 -16.962 -17.452 721 HZ3 LYS 96 3HZ LYS 96 -8.004 -16.302 -17.739 722 H ILE 97 H ILE 97 -4.662 -16.304 -9.916 723 HA ILE 97 HA ILE 97 -2.293 -14.806 -9.816 724 HB ILE 97 HB ILE 97 -2.858 -17.496 -8.564 725 HG12 ILE 97 1HG1 ILE 97 -4.479 -15.781 -7.903 726 HG13 ILE 97 2HG1 ILE 97 -3.420 -16.190 -6.558 727 HG21 ILE 97 1HG2 ILE 97 -0.511 -17.154 -8.531 728 HG22 ILE 97 2HG2 ILE 97 -0.696 -15.464 -8.067 729 HG23 ILE 97 3HG2 ILE 97 -1.104 -16.742 -6.923 730 HD11 ILE 97 1HD1 ILE 97 -3.272 -13.744 -8.300 731 HD12 ILE 97 2HD1 ILE 97 -3.747 -13.824 -6.603 732 HD13 ILE 97 3HD1 ILE 97 -2.082 -14.170 -7.070 733 H THR 98 H THR 98 -0.080 -15.595 -10.000 734 HA THR 98 HA THR 98 0.207 -17.401 -12.302 735 HB THR 98 HB THR 98 2.162 -15.347 -11.248 736 HG1 THR 98 1HG THR 98 0.702 -15.265 -13.684 737 HG21 THR 98 1HG2 THR 98 3.689 -16.397 -12.486 738 HG22 THR 98 2HG2 THR 98 2.714 -16.060 -13.916 739 HG23 THR 98 3HG2 THR 98 2.490 -17.569 -13.032 740 H ALA 99 H ALA 99 2.303 -16.451 -9.577 741 HA ALA 99 HA ALA 99 2.572 -19.239 -8.785 742 HB1 ALA 99 1HB ALA 99 4.310 -18.719 -10.563 743 HB2 ALA 99 2HB ALA 99 5.061 -17.659 -9.369 744 HB3 ALA 99 3HB ALA 99 4.906 -19.386 -9.042 745 H VAL 100 H VAL 100 2.459 -19.335 -6.646 746 HA VAL 100 HA VAL 100 2.684 -16.950 -5.049 747 HB VAL 100 HB VAL 100 1.970 -18.287 -3.192 748 HG11 VAL 100 1HG1 VAL 100 0.174 -19.706 -4.846 749 HG12 VAL 100 2HG1 VAL 100 -0.081 -18.160 -4.034 750 HG13 VAL 100 3HG1 VAL 100 0.565 -18.200 -5.675 751 HG21 VAL 100 1HG2 VAL 100 3.077 -20.275 -3.133 752 HG22 VAL 100 2HG2 VAL 100 1.558 -20.837 -3.832 753 HG23 VAL 100 3HG2 VAL 100 2.947 -20.527 -4.874 754 HA PRO 101 HA PRO 101 2.950 -16.584 -2.786 755 HB2 PRO 101 1HB PRO 101 4.530 -14.555 -1.916 756 HB3 PRO 101 2HB PRO 101 4.361 -16.082 -1.043 757 HG2 PRO 101 1HG PRO 101 6.540 -15.189 -2.891 758 HG3 PRO 101 2HG PRO 101 6.667 -16.039 -1.340 759 HD2 PRO 101 1HD PRO 101 6.874 -17.312 -3.721 760 HD3 PRO 101 2HD PRO 101 6.184 -18.087 -2.281 761 H THR 102 H THR 102 1.731 -15.013 -3.676 762 HA THR 102 HA THR 102 2.935 -13.397 -5.828 763 HB THR 102 HB THR 102 0.089 -14.406 -5.655 764 HG1 THR 102 1HG THR 102 2.393 -15.276 -6.992 765 HG21 THR 102 1HG2 THR 102 -0.150 -13.453 -7.911 766 HG22 THR 102 2HG2 THR 102 1.475 -12.778 -7.789 767 HG23 THR 102 3HG2 THR 102 0.201 -12.212 -6.709 768 H LEU 103 H LEU 103 3.121 -11.344 -5.236 769 HA LEU 103 HA LEU 103 1.245 -10.229 -3.285 770 HB2 LEU 103 1HB LEU 103 3.668 -10.011 -2.877 771 HB3 LEU 103 2HB LEU 103 3.815 -9.083 -4.368 772 HG LEU 103 HG LEU 103 2.375 -7.335 -3.386 773 HD11 LEU 103 1HD1 LEU 103 1.131 -8.767 -1.832 774 HD12 LEU 103 2HD1 LEU 103 1.851 -7.379 -1.017 775 HD13 LEU 103 3HD1 LEU 103 2.590 -8.973 -0.863 776 HD21 LEU 103 1HD2 LEU 103 4.822 -7.195 -3.239 777 HD22 LEU 103 2HD2 LEU 103 4.770 -8.042 -1.693 778 HD23 LEU 103 3HD2 LEU 103 4.033 -6.447 -1.850 779 H LEU 104 H LEU 104 -0.561 -9.647 -4.391 780 HA LEU 104 HA LEU 104 -0.265 -8.025 -6.812 781 HB2 LEU 104 1HB LEU 104 -1.804 -9.688 -7.250 782 HB3 LEU 104 2HB LEU 104 -2.477 -9.635 -5.622 783 HG LEU 104 HG LEU 104 -3.561 -7.476 -6.195 784 HD11 LEU 104 1HD1 LEU 104 -3.498 -6.539 -8.301 785 HD12 LEU 104 2HD1 LEU 104 -2.978 -8.038 -9.070 786 HD13 LEU 104 3HD1 LEU 104 -1.838 -7.102 -8.104 787 HD21 LEU 104 1HD2 LEU 104 -5.391 -8.479 -7.154 788 HD22 LEU 104 2HD2 LEU 104 -4.517 -9.888 -6.554 789 HD23 LEU 104 3HD2 LEU 104 -4.419 -9.449 -8.260 790 H LYS 105 H LYS 105 -0.720 -5.909 -6.867 791 HA LYS 105 HA LYS 105 -1.523 -4.626 -4.366 792 HB2 LYS 105 1HB LYS 105 0.505 -3.793 -5.449 793 HB3 LYS 105 2HB LYS 105 -0.401 -3.456 -6.919 794 HG2 LYS 105 1HG LYS 105 -1.635 -1.721 -5.856 795 HG3 LYS 105 2HG LYS 105 -0.998 -2.162 -4.270 796 HD2 LYS 105 1HD LYS 105 1.258 -1.544 -5.018 797 HD3 LYS 105 2HD LYS 105 0.603 -1.081 -6.591 798 HE2 LYS 105 1HE LYS 105 -0.463 0.133 -4.068 799 HE3 LYS 105 2HE LYS 105 1.015 0.748 -4.806 800 HZ1 LYS 105 1HZ LYS 105 -1.741 0.921 -5.743 801 HZ2 LYS 105 2HZ LYS 105 -0.549 0.715 -6.925 802 HZ3 LYS 105 3HZ LYS 105 -0.480 2.041 -5.877 803 H TYR 106 H TYR 106 -3.746 -5.046 -4.391 804 HA TYR 106 HA TYR 106 -5.581 -4.852 -6.366 805 HB2 TYR 106 1HB TYR 106 -5.832 -5.187 -3.759 806 HB3 TYR 106 2HB TYR 106 -6.247 -3.476 -3.796 807 HD1 TYR 106 2HD TYR 106 -7.053 -6.211 -6.202 808 HD2 TYR 106 1HD TYR 106 -8.534 -3.352 -3.421 809 HE1 TYR 106 2HE TYR 106 -9.356 -6.789 -6.844 810 HE2 TYR 106 1HE TYR 106 -10.842 -3.922 -4.054 811 HH TYR 106 HH TYR 106 -11.713 -5.367 -6.721 812 H GLY 107 H GLY 107 -5.884 -3.383 -7.898 813 HA2 GLY 107 1HA GLY 107 -6.850 -1.126 -8.265 814 HA3 GLY 107 2HA GLY 107 -5.617 -0.533 -7.161 815 H THR 108 H THR 108 -3.488 -2.168 -8.202 816 HA THR 108 HA THR 108 -3.168 -1.014 -10.893 817 HB THR 108 HB THR 108 -0.743 -0.689 -10.357 818 HG1 THR 108 1HG THR 108 -0.818 -2.124 -8.470 819 HG21 THR 108 1HG2 THR 108 -2.136 1.247 -10.343 820 HG22 THR 108 2HG2 THR 108 -1.121 1.334 -8.903 821 HG23 THR 108 3HG2 THR 108 -2.805 0.829 -8.766 822 HA PRO 109 HA PRO 109 -1.936 -5.015 -12.227 823 HB2 PRO 109 1HB PRO 109 -0.218 -4.374 -14.229 824 HB3 PRO 109 2HB PRO 109 -1.969 -4.173 -14.364 825 HG2 PRO 109 1HG PRO 109 0.129 -2.133 -13.734 826 HG3 PRO 109 2HG PRO 109 -1.276 -1.998 -14.808 827 HD2 PRO 109 1HD PRO 109 -1.255 -0.974 -12.302 828 HD3 PRO 109 2HD PRO 109 -2.730 -1.603 -13.064 829 H GLN 110 H GLN 110 0.141 -2.941 -10.630 830 HA GLN 110 HA GLN 110 2.622 -4.280 -10.986 831 HB2 GLN 110 1HB GLN 110 1.550 -2.242 -9.092 832 HB3 GLN 110 2HB GLN 110 3.027 -3.087 -8.651 833 HG2 GLN 110 1HG GLN 110 3.737 -2.410 -11.095 834 HG3 GLN 110 2HG GLN 110 2.527 -1.153 -10.845 835 HE21 GLN 110 1HE2 GLN 110 2.801 -0.465 -8.281 836 HE22 GLN 110 2HE2 GLN 110 4.384 0.152 -7.967 837 H LYS 111 H LYS 111 3.185 -6.213 -10.263 838 HA LYS 111 HA LYS 111 2.260 -7.116 -7.649 839 HB2 LYS 111 1HB LYS 111 1.571 -9.305 -8.506 840 HB3 LYS 111 2HB LYS 111 0.601 -8.016 -9.206 841 HG2 LYS 111 1HG LYS 111 1.016 -9.212 -11.084 842 HG3 LYS 111 2HG LYS 111 2.442 -8.171 -11.106 843 HD2 LYS 111 1HD LYS 111 3.347 -10.277 -11.457 844 HD3 LYS 111 2HD LYS 111 3.541 -10.062 -9.716 845 HE2 LYS 111 1HE LYS 111 2.704 -12.270 -10.114 846 HE3 LYS 111 2HE LYS 111 1.412 -11.312 -9.392 847 HZ1 LYS 111 1HZ LYS 111 1.507 -12.598 -11.942 848 HZ2 LYS 111 2HZ LYS 111 1.086 -10.966 -12.078 849 HZ3 LYS 111 3HZ LYS 111 0.175 -11.994 -11.090 850 H LEU 112 H LEU 112 3.633 -8.578 -6.645 851 HA LEU 112 HA LEU 112 6.201 -9.011 -8.020 852 HB2 LEU 112 1HB LEU 112 5.682 -8.885 -5.054 853 HB3 LEU 112 2HB LEU 112 7.252 -9.028 -5.841 854 HG LEU 112 HG LEU 112 5.420 -6.633 -5.856 855 HD11 LEU 112 1HD1 LEU 112 7.836 -7.425 -4.362 856 HD12 LEU 112 2HD1 LEU 112 6.512 -6.356 -3.902 857 HD13 LEU 112 3HD1 LEU 112 7.795 -5.765 -4.958 858 HD21 LEU 112 1HD2 LEU 112 8.105 -6.901 -7.195 859 HD22 LEU 112 2HD2 LEU 112 7.007 -5.522 -7.248 860 HD23 LEU 112 3HD2 LEU 112 6.565 -7.033 -8.044 861 H VAL 113 H VAL 113 6.713 -11.036 -8.497 862 HA VAL 113 HA VAL 113 5.126 -13.218 -7.425 863 HB VAL 113 HB VAL 113 7.411 -13.753 -9.247 864 HG11 VAL 113 1HG1 VAL 113 4.769 -14.877 -8.593 865 HG12 VAL 113 2HG1 VAL 113 5.247 -14.984 -10.288 866 HG13 VAL 113 3HG1 VAL 113 6.271 -15.687 -9.035 867 HG21 VAL 113 1HG2 VAL 113 6.630 -11.753 -10.267 868 HG22 VAL 113 2HG2 VAL 113 5.967 -13.095 -11.200 869 HG23 VAL 113 3HG2 VAL 113 4.944 -12.227 -10.056 870 H GLU 114 H GLU 114 6.476 -15.330 -7.051 871 HA GLU 114 HA GLU 114 7.649 -15.382 -4.672 872 HB2 GLU 114 1HB GLU 114 8.945 -16.920 -6.913 873 HB3 GLU 114 2HB GLU 114 8.749 -17.402 -5.234 874 HG2 GLU 114 1HG GLU 114 6.242 -17.352 -5.692 875 HG3 GLU 114 2HG GLU 114 6.681 -17.289 -7.398 876 H SER 115 H SER 115 9.660 -15.058 -7.604 877 HA SER 115 HA SER 115 12.052 -14.482 -6.307 878 HB2 SER 115 1HB SER 115 11.718 -15.034 -8.763 879 HB3 SER 115 2HB SER 115 11.261 -13.346 -8.993 880 HG SER 115 HG SER 115 13.336 -12.796 -8.105 881 H GLU 116 H GLU 116 9.553 -12.273 -7.514 882 HA GLU 116 HA GLU 116 10.943 -9.919 -6.667 883 HB2 GLU 116 1HB GLU 116 8.013 -10.214 -7.343 884 HB3 GLU 116 2HB GLU 116 8.941 -8.722 -7.310 885 HG2 GLU 116 1HG GLU 116 10.392 -9.831 -9.118 886 HG3 GLU 116 2HG GLU 116 9.048 -10.959 -9.292 887 H CYS 117 H CYS 117 9.257 -12.283 -5.014 888 HA CYS 117 HA CYS 117 8.212 -10.511 -2.954 889 HB2 CYS 117 1HB CYS 117 8.093 -13.498 -3.362 890 HB3 CYS 117 2HB CYS 117 7.508 -12.721 -1.897 891 HG CYS 117 HG CYS 117 5.981 -13.132 -4.768 892 H CYS 118 H CYS 118 11.094 -12.092 -3.668 893 HA CYS 118 HA CYS 118 11.897 -12.176 -0.841 894 HB2 CYS 118 1HB CYS 118 12.242 -14.297 -1.909 895 HB3 CYS 118 2HB CYS 118 13.041 -13.539 -3.281 896 HG CYS 118 HG CYS 118 15.428 -13.645 -2.341 897 H GLN 119 H GLN 119 12.141 -10.314 -3.610 898 HA GLN 119 HA GLN 119 14.768 -9.231 -2.908 899 HB2 GLN 119 1HB GLN 119 13.052 -9.164 -5.342 900 HB3 GLN 119 2HB GLN 119 14.141 -7.811 -5.068 901 HG2 GLN 119 1HG GLN 119 14.876 -9.912 -6.463 902 HG3 GLN 119 2HG GLN 119 16.008 -9.056 -5.418 903 HE21 GLN 119 1HE2 GLN 119 14.107 -11.929 -5.847 904 HE22 GLN 119 2HE2 GLN 119 14.867 -12.864 -4.609 905 H SER 120 H SER 120 14.420 -7.969 -1.129 906 HA SER 120 HA SER 120 12.272 -6.380 -0.512 907 HB2 SER 120 1HB SER 120 14.230 -4.862 0.528 908 HB3 SER 120 2HB SER 120 13.747 -6.404 1.235 909 HG SER 120 HG SER 120 15.847 -6.719 1.001 910 H SER 121 H SER 121 15.126 -5.464 -2.420 911 HA SER 121 HA SER 121 14.791 -2.836 -2.873 912 HB2 SER 121 1HB SER 121 16.534 -4.254 -3.945 913 HB3 SER 121 2HB SER 121 15.321 -4.831 -5.088 914 HG SER 121 HG SER 121 16.204 -2.154 -4.754 915 H LEU 122 H LEU 122 12.820 -5.403 -4.256 916 HA LEU 122 HA LEU 122 11.272 -3.560 -5.859 917 HB2 LEU 122 1HB LEU 122 10.952 -6.500 -5.287 918 HB3 LEU 122 2HB LEU 122 9.910 -5.582 -6.371 919 HG LEU 122 HG LEU 122 12.858 -5.657 -6.862 920 HD11 LEU 122 1HD1 LEU 122 11.565 -8.002 -6.550 921 HD12 LEU 122 2HD1 LEU 122 12.899 -7.753 -7.676 922 HD13 LEU 122 3HD1 LEU 122 11.234 -7.678 -8.252 923 HD21 LEU 122 1HD2 LEU 122 10.488 -5.551 -8.722 924 HD22 LEU 122 2HD2 LEU 122 12.184 -5.324 -9.147 925 HD23 LEU 122 3HD2 LEU 122 11.363 -4.139 -8.130 926 H VAL 123 H VAL 123 10.716 -5.609 -3.008 927 HA VAL 123 HA VAL 123 8.065 -5.065 -2.515 928 HB VAL 123 HB VAL 123 10.244 -5.337 -0.439 929 HG11 VAL 123 1HG1 VAL 123 7.815 -4.469 0.127 930 HG12 VAL 123 2HG1 VAL 123 7.434 -6.189 0.027 931 HG13 VAL 123 3HG1 VAL 123 8.649 -5.618 1.172 932 HG21 VAL 123 1HG2 VAL 123 8.470 -7.597 -1.128 933 HG22 VAL 123 2HG2 VAL 123 9.689 -7.160 -2.325 934 HG23 VAL 123 3HG2 VAL 123 10.177 -7.588 -0.685 935 H GLU 124 H GLU 124 10.889 -3.158 -1.518 936 HA GLU 124 HA GLU 124 9.325 -1.165 -0.190 937 HB2 GLU 124 1HB GLU 124 11.391 0.031 0.092 938 HB3 GLU 124 2HB GLU 124 11.697 -1.677 0.378 939 HG2 GLU 124 1HG GLU 124 12.678 -1.910 -1.813 940 HG3 GLU 124 2HG GLU 124 12.282 -0.236 -2.198 941 H MET 125 H MET 125 10.006 -1.825 -3.433 942 HA MET 125 HA MET 125 9.819 0.929 -4.330 943 HB2 MET 125 1HB MET 125 11.302 -0.720 -5.465 944 HB3 MET 125 2HB MET 125 9.872 -1.613 -5.965 945 HG2 MET 125 1HG MET 125 9.154 0.662 -7.004 946 HG3 MET 125 2HG MET 125 10.873 1.035 -6.894 947 HE1 MET 125 1HE MET 125 8.166 -1.345 -8.283 948 HE2 MET 125 2HE MET 125 9.062 -2.408 -9.367 949 HE3 MET 125 3HE MET 125 9.263 -2.556 -7.621 950 H ILE 126 H ILE 126 8.009 -2.047 -5.116 951 HA ILE 126 HA ILE 126 5.861 -0.989 -6.402 952 HB ILE 126 HB ILE 126 6.230 -3.417 -5.987 953 HG12 ILE 126 1HG1 ILE 126 3.445 -2.663 -5.129 954 HG13 ILE 126 2HG1 ILE 126 4.025 -2.319 -6.755 955 HG21 ILE 126 1HG2 ILE 126 4.821 -3.020 -3.365 956 HG22 ILE 126 2HG2 ILE 126 5.635 -4.461 -3.970 957 HG23 ILE 126 3HG2 ILE 126 6.579 -3.052 -3.490 958 HD11 ILE 126 1HD1 ILE 126 2.820 -4.361 -6.824 959 HD12 ILE 126 2HD1 ILE 126 4.531 -4.752 -6.992 960 HD13 ILE 126 3HD1 ILE 126 3.715 -5.007 -5.450 961 H PHE 127 H PHE 127 6.319 -1.174 -2.896 962 HA PHE 127 HA PHE 127 3.783 -0.153 -2.187 963 HB2 PHE 127 1HB PHE 127 6.419 -0.306 -0.736 964 HB3 PHE 127 2HB PHE 127 4.997 0.426 0.002 965 HD1 PHE 127 2HD PHE 127 2.848 -1.335 -0.884 966 HD2 PHE 127 1HD PHE 127 6.792 -2.272 0.414 967 HE1 PHE 127 2HE PHE 127 2.079 -3.558 -0.163 968 HE2 PHE 127 1HE PHE 127 6.029 -4.497 1.136 969 HZ PHE 127 HZ PHE 127 3.669 -5.142 0.850 970 H SER 128 H SER 128 6.940 1.409 -2.609 971 HA SER 128 HA SER 128 6.059 4.011 -1.920 972 HB2 SER 128 1HB SER 128 8.430 3.394 -1.862 973 HB3 SER 128 2HB SER 128 8.423 3.152 -3.609 974 HG SER 128 HG SER 128 7.526 5.522 -3.391 975 H GLU 129 H GLU 129 7.179 2.972 -5.137 976 HA GLU 129 HA GLU 129 4.806 4.021 -6.405 977 HB2 GLU 129 1HB GLU 129 6.590 5.921 -5.941 978 HB3 GLU 129 2HB GLU 129 7.351 5.243 -7.373 979 HG2 GLU 129 1HG GLU 129 5.631 5.875 -8.758 980 HG3 GLU 129 2HG GLU 129 4.454 5.929 -7.447 981 H ASP 130 H ASP 130 5.259 4.017 -8.929 982 HA ASP 130 HA ASP 130 5.714 1.351 -9.655 983 HB2 ASP 130 1HB ASP 130 4.484 3.337 -10.891 984 HB3 ASP 130 2HB ASP 130 6.050 3.528 -11.675 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.422 18.444 17.189 2 HA2 GLY 1 1HA GLY 1 0.179 19.998 16.882 3 HA3 GLY 1 2HA GLY 1 1.531 20.011 15.759 4 H SER 2 H SER 2 -1.142 20.485 15.013 5 HA SER 2 HA SER 2 -1.958 18.029 13.640 6 HB2 SER 2 1HB SER 2 -3.360 20.618 14.260 7 HB3 SER 2 2HB SER 2 -3.990 19.516 13.037 8 HG SER 2 HG SER 2 -4.934 18.723 14.776 9 H GLU 3 H GLU 3 -1.524 21.492 12.906 10 HA GLU 3 HA GLU 3 -1.210 20.825 10.076 11 HB2 GLU 3 1HB GLU 3 -1.105 23.437 9.953 12 HB3 GLU 3 2HB GLU 3 -2.646 22.627 10.202 13 HG2 GLU 3 1HG GLU 3 -2.564 23.088 12.560 14 HG3 GLU 3 2HG GLU 3 -0.947 23.770 12.406 15 H GLY 4 H GLY 4 0.654 21.127 8.941 16 HA2 GLY 4 1HA GLY 4 2.806 22.261 8.707 17 HA3 GLY 4 2HA GLY 4 2.982 22.140 10.452 18 H ALA 5 H ALA 5 3.217 19.966 11.367 19 HA ALA 5 HA ALA 5 5.261 18.518 10.172 20 HB1 ALA 5 1HB ALA 5 4.818 18.386 12.546 21 HB2 ALA 5 2HB ALA 5 3.270 17.598 12.241 22 HB3 ALA 5 3HB ALA 5 4.774 16.770 11.840 23 H ALA 6 H ALA 6 5.373 16.667 8.954 24 HA ALA 6 HA ALA 6 3.006 16.039 7.396 25 HB1 ALA 6 1HB ALA 6 5.832 15.953 6.967 26 HB2 ALA 6 2HB ALA 6 5.136 14.369 6.626 27 HB3 ALA 6 3HB ALA 6 4.523 15.799 5.796 28 H THR 7 H THR 7 2.228 13.891 7.079 29 HA THR 7 HA THR 7 2.624 12.185 9.444 30 HB THR 7 HB THR 7 0.302 12.133 7.509 31 HG1 THR 7 1HG THR 7 -0.698 13.522 8.817 32 HG21 THR 7 1HG2 THR 7 0.190 10.080 8.515 33 HG22 THR 7 2HG2 THR 7 -0.671 11.037 9.720 34 HG23 THR 7 3HG2 THR 7 1.025 10.624 9.968 35 H MET 8 H MET 8 3.253 10.096 9.244 36 HA MET 8 HA MET 8 4.306 9.271 6.681 37 HB2 MET 8 1HB MET 8 4.446 8.179 9.474 38 HB3 MET 8 2HB MET 8 4.946 7.192 8.107 39 HG2 MET 8 1HG MET 8 6.060 9.935 8.374 40 HG3 MET 8 2HG MET 8 6.665 8.660 9.429 41 HE1 MET 8 1HE MET 8 7.706 6.613 8.793 42 HE2 MET 8 2HE MET 8 6.817 5.962 7.416 43 HE3 MET 8 3HE MET 8 8.547 6.282 7.278 44 H ALA 9 H ALA 9 3.955 6.955 5.982 45 HA ALA 9 HA ALA 9 1.171 6.540 5.547 46 HB1 ALA 9 1HB ALA 9 3.687 5.267 4.670 47 HB2 ALA 9 2HB ALA 9 2.244 4.253 4.646 48 HB3 ALA 9 3HB ALA 9 2.276 5.763 3.735 49 H THR 10 H THR 10 0.043 4.496 5.992 50 HA THR 10 HA THR 10 0.923 3.235 8.504 51 HB THR 10 HB THR 10 -1.527 3.065 9.116 52 HG1 THR 10 1HG THR 10 -1.789 5.124 7.161 53 HG21 THR 10 1HG2 THR 10 -0.206 4.619 10.327 54 HG22 THR 10 2HG2 THR 10 -1.657 5.493 9.837 55 HG23 THR 10 3HG2 THR 10 -0.144 5.737 8.965 56 H PHE 11 H PHE 11 1.052 1.095 8.384 57 HA PHE 11 HA PHE 11 -0.427 -0.274 6.236 58 HB2 PHE 11 1HB PHE 11 1.362 -1.678 5.867 59 HB3 PHE 11 2HB PHE 11 2.211 -0.217 6.363 60 HD1 PHE 11 2HD PHE 11 2.996 -0.024 8.744 61 HD2 PHE 11 1HD PHE 11 1.571 -3.671 7.076 62 HE1 PHE 11 2HE PHE 11 4.099 -1.278 10.551 63 HE2 PHE 11 1HE PHE 11 2.670 -4.931 8.881 64 HZ PHE 11 HZ PHE 11 3.938 -3.734 10.621 65 H GLU 12 H GLU 12 -1.484 -2.203 6.682 66 HA GLU 12 HA GLU 12 -1.563 -3.081 9.478 67 HB2 GLU 12 1HB GLU 12 -3.465 -1.636 9.312 68 HB3 GLU 12 2HB GLU 12 -3.947 -2.350 7.780 69 HG2 GLU 12 1HG GLU 12 -4.383 -4.479 8.949 70 HG3 GLU 12 2HG GLU 12 -3.994 -3.687 10.475 71 H GLU 13 H GLU 13 -0.998 -5.147 9.471 72 HA GLU 13 HA GLU 13 -1.390 -6.787 7.116 73 HB2 GLU 13 1HB GLU 13 0.725 -6.980 8.267 74 HB3 GLU 13 2HB GLU 13 -0.087 -7.350 9.782 75 HG2 GLU 13 1HG GLU 13 0.929 -9.308 8.619 76 HG3 GLU 13 2HG GLU 13 -0.785 -9.472 8.993 77 H VAL 14 H VAL 14 -3.154 -7.950 6.782 78 HA VAL 14 HA VAL 14 -4.770 -8.765 9.107 79 HB VAL 14 HB VAL 14 -5.658 -8.291 6.258 80 HG11 VAL 14 1HG1 VAL 14 -6.765 -10.072 7.985 81 HG12 VAL 14 2HG1 VAL 14 -7.674 -8.608 8.368 82 HG13 VAL 14 3HG1 VAL 14 -7.649 -9.226 6.715 83 HG21 VAL 14 1HG2 VAL 14 -6.581 -6.779 8.675 84 HG22 VAL 14 2HG2 VAL 14 -5.111 -6.311 7.820 85 HG23 VAL 14 3HG2 VAL 14 -6.659 -6.315 6.975 86 H SER 15 H SER 15 -4.382 -10.826 9.591 87 HA SER 15 HA SER 15 -3.568 -12.725 7.572 88 HB2 SER 15 1HB SER 15 -2.508 -12.864 9.745 89 HB3 SER 15 2HB SER 15 -4.073 -13.030 10.541 90 HG SER 15 HG SER 15 -3.468 -15.080 10.349 91 H VAL 16 H VAL 16 -4.983 -13.737 6.327 92 HA VAL 16 HA VAL 16 -7.504 -14.670 7.511 93 HB VAL 16 HB VAL 16 -8.673 -14.124 5.369 94 HG11 VAL 16 1HG1 VAL 16 -8.212 -11.456 5.952 95 HG12 VAL 16 2HG1 VAL 16 -9.412 -12.505 6.710 96 HG13 VAL 16 3HG1 VAL 16 -7.825 -12.297 7.453 97 HG21 VAL 16 1HG2 VAL 16 -6.843 -12.015 4.598 98 HG22 VAL 16 2HG2 VAL 16 -6.107 -13.610 4.449 99 HG23 VAL 16 3HG2 VAL 16 -7.616 -13.253 3.609 100 H LEU 17 H LEU 17 -8.551 -16.379 6.211 101 HA LEU 17 HA LEU 17 -6.650 -17.880 4.546 102 HB2 LEU 17 1HB LEU 17 -7.045 -18.637 7.043 103 HB3 LEU 17 2HB LEU 17 -8.498 -19.358 6.352 104 HG LEU 17 HG LEU 17 -5.731 -19.938 5.315 105 HD11 LEU 17 1HD1 LEU 17 -5.331 -21.340 6.987 106 HD12 LEU 17 2HD1 LEU 17 -6.922 -22.081 6.821 107 HD13 LEU 17 3HD1 LEU 17 -6.719 -20.648 7.827 108 HD21 LEU 17 1HD2 LEU 17 -8.451 -21.156 4.929 109 HD22 LEU 17 2HD2 LEU 17 -6.964 -22.021 4.540 110 HD23 LEU 17 3HD2 LEU 17 -7.352 -20.513 3.709 111 H GLY 18 H GLY 18 -7.476 -18.496 2.655 112 HA2 GLY 18 1HA GLY 18 -9.107 -19.436 1.235 113 HA3 GLY 18 2HA GLY 18 -10.336 -19.054 2.432 114 H PHE 19 H PHE 19 -11.029 -18.493 -0.045 115 HA PHE 19 HA PHE 19 -10.255 -15.839 -0.846 116 HB2 PHE 19 1HB PHE 19 -10.915 -17.659 -2.451 117 HB3 PHE 19 2HB PHE 19 -12.569 -17.491 -1.872 118 HD1 PHE 19 2HD PHE 19 -13.560 -15.077 -1.994 119 HD2 PHE 19 1HD PHE 19 -10.229 -16.432 -4.272 120 HE1 PHE 19 2HE PHE 19 -13.948 -13.277 -3.626 121 HE2 PHE 19 1HE PHE 19 -10.612 -14.633 -5.907 122 HZ PHE 19 HZ PHE 19 -12.474 -13.054 -5.586 123 H GLU 20 H GLU 20 -13.051 -17.341 0.702 124 HA GLU 20 HA GLU 20 -14.845 -15.249 0.683 125 HB2 GLU 20 1HB GLU 20 -14.332 -17.236 2.902 126 HB3 GLU 20 2HB GLU 20 -15.760 -16.217 2.779 127 HG2 GLU 20 1HG GLU 20 -14.929 -18.258 0.730 128 HG3 GLU 20 2HG GLU 20 -16.123 -18.528 1.998 129 H GLU 21 H GLU 21 -12.707 -15.999 3.441 130 HA GLU 21 HA GLU 21 -13.128 -13.670 4.870 131 HB2 GLU 21 1HB GLU 21 -10.710 -15.463 4.697 132 HB3 GLU 21 2HB GLU 21 -10.806 -14.112 5.819 133 HG2 GLU 21 1HG GLU 21 -11.389 -16.349 6.774 134 HG3 GLU 21 2HG GLU 21 -12.605 -15.092 6.995 135 H PHE 22 H PHE 22 -10.622 -14.330 2.439 136 HA PHE 22 HA PHE 22 -9.195 -11.983 2.553 137 HB2 PHE 22 1HB PHE 22 -8.354 -13.647 1.121 138 HB3 PHE 22 2HB PHE 22 -9.878 -13.795 0.252 139 HD1 PHE 22 2HD PHE 22 -7.852 -10.788 1.091 140 HD2 PHE 22 1HD PHE 22 -9.423 -13.310 -1.957 141 HE1 PHE 22 2HE PHE 22 -7.020 -9.230 -0.622 142 HE2 PHE 22 1HE PHE 22 -8.593 -11.756 -3.675 143 HZ PHE 22 HZ PHE 22 -7.391 -9.712 -3.009 144 H ASP 23 H ASP 23 -11.826 -12.595 0.221 145 HA ASP 23 HA ASP 23 -12.096 -10.084 -0.826 146 HB2 ASP 23 1HB ASP 23 -13.371 -12.161 -1.489 147 HB3 ASP 23 2HB ASP 23 -14.453 -11.843 -0.136 148 H LYS 24 H LYS 24 -13.639 -11.317 2.125 149 HA LYS 24 HA LYS 24 -15.184 -9.128 2.794 150 HB2 LYS 24 1HB LYS 24 -14.961 -11.425 3.955 151 HB3 LYS 24 2HB LYS 24 -13.661 -10.677 4.874 152 HG2 LYS 24 1HG LYS 24 -15.450 -10.357 6.270 153 HG3 LYS 24 2HG LYS 24 -15.442 -8.840 5.368 154 HD2 LYS 24 1HD LYS 24 -17.148 -9.768 3.847 155 HD3 LYS 24 2HD LYS 24 -17.183 -11.244 4.816 156 HE2 LYS 24 1HE LYS 24 -17.624 -8.612 6.150 157 HE3 LYS 24 2HE LYS 24 -18.934 -9.328 5.211 158 HZ1 LYS 24 1HZ LYS 24 -18.217 -11.419 6.656 159 HZ2 LYS 24 2HZ LYS 24 -19.366 -10.298 7.187 160 HZ3 LYS 24 3HZ LYS 24 -17.769 -10.195 7.735 161 H ALA 25 H ALA 25 -11.887 -9.794 3.991 162 HA ALA 25 HA ALA 25 -11.502 -7.367 5.303 163 HB1 ALA 25 1HB ALA 25 -10.075 -9.496 5.362 164 HB2 ALA 25 2HB ALA 25 -9.261 -8.828 3.947 165 HB3 ALA 25 3HB ALA 25 -9.246 -7.943 5.472 166 H VAL 26 H VAL 26 -11.020 -8.238 1.926 167 HA VAL 26 HA VAL 26 -9.606 -5.962 1.100 168 HB VAL 26 HB VAL 26 -11.463 -7.801 -0.402 169 HG11 VAL 26 1HG1 VAL 26 -11.525 -5.625 -1.490 170 HG12 VAL 26 2HG1 VAL 26 -9.761 -5.572 -1.517 171 HG13 VAL 26 3HG1 VAL 26 -10.624 -6.782 -2.469 172 HG21 VAL 26 1HG2 VAL 26 -9.622 -8.997 -0.968 173 HG22 VAL 26 2HG2 VAL 26 -8.573 -7.580 -0.999 174 HG23 VAL 26 3HG2 VAL 26 -9.012 -8.319 0.541 175 H LYS 27 H LYS 27 -13.032 -6.611 0.362 176 HA LYS 27 HA LYS 27 -13.723 -4.043 -0.387 177 HB2 LYS 27 1HB LYS 27 -15.447 -6.124 0.969 178 HB3 LYS 27 2HB LYS 27 -16.061 -4.692 0.153 179 HG2 LYS 27 1HG LYS 27 -15.413 -5.476 -1.955 180 HG3 LYS 27 2HG LYS 27 -14.344 -6.700 -1.266 181 HD2 LYS 27 1HD LYS 27 -16.297 -7.817 -2.062 182 HD3 LYS 27 2HD LYS 27 -16.377 -7.802 -0.299 183 HE2 LYS 27 1HE LYS 27 -18.509 -7.146 -0.797 184 HE3 LYS 27 2HE LYS 27 -17.718 -5.573 -0.719 185 HZ1 LYS 27 1HZ LYS 27 -19.222 -6.200 -2.732 186 HZ2 LYS 27 2HZ LYS 27 -17.829 -6.979 -3.293 187 HZ3 LYS 27 3HZ LYS 27 -17.799 -5.317 -2.976 188 H GLU 28 H GLU 28 -13.059 -5.257 2.751 189 HA GLU 28 HA GLU 28 -14.551 -3.325 4.234 190 HB2 GLU 28 1HB GLU 28 -12.481 -5.374 4.860 191 HB3 GLU 28 2HB GLU 28 -12.730 -4.080 6.023 192 HG2 GLU 28 1HG GLU 28 -15.155 -4.668 6.040 193 HG3 GLU 28 2HG GLU 28 -14.761 -6.069 5.046 194 H HIS 29 H HIS 29 -11.371 -3.439 2.810 195 HA HIS 29 HA HIS 29 -10.767 -0.801 3.971 196 HB2 HIS 29 1HB HIS 29 -8.777 -2.695 2.721 197 HB3 HIS 29 2HB HIS 29 -8.439 -1.272 3.702 198 HD1 HIS 29 1HD HIS 29 -9.738 -1.594 6.245 199 HD2 HIS 29 2HD HIS 29 -8.379 -4.927 4.169 200 HE1 HIS 29 1HE HIS 29 -9.495 -3.408 7.970 201 HE2 HIS 29 2HE HIS 29 -8.590 -5.389 6.705 202 H GLU 30 H GLU 30 -12.261 -1.796 1.423 203 HA GLU 30 HA GLU 30 -10.933 -1.120 -0.883 204 HB2 GLU 30 1HB GLU 30 -13.097 -0.650 -1.873 205 HB3 GLU 30 2HB GLU 30 -13.221 -2.042 -0.806 206 HG2 GLU 30 1HG GLU 30 -14.148 -0.573 0.946 207 HG3 GLU 30 2HG GLU 30 -14.105 0.769 -0.196 208 H SER 31 H SER 31 -12.183 0.989 1.595 209 HA SER 31 HA SER 31 -12.221 3.410 0.191 210 HB2 SER 31 1HB SER 31 -11.386 3.333 3.067 211 HB3 SER 31 2HB SER 31 -12.484 4.446 2.252 212 HG SER 31 HG SER 31 -13.193 2.439 3.688 213 H LYS 32 H LYS 32 -9.594 1.625 1.661 214 HA LYS 32 HA LYS 32 -7.716 3.652 0.636 215 HB2 LYS 32 1HB LYS 32 -6.193 2.628 2.515 216 HB3 LYS 32 2HB LYS 32 -7.367 3.878 2.903 217 HG2 LYS 32 1HG LYS 32 -8.944 1.876 3.403 218 HG3 LYS 32 2HG LYS 32 -7.440 0.958 3.515 219 HD2 LYS 32 1HD LYS 32 -6.643 2.755 5.128 220 HD3 LYS 32 2HD LYS 32 -8.318 3.313 5.170 221 HE2 LYS 32 1HE LYS 32 -9.068 1.381 6.208 222 HE3 LYS 32 2HE LYS 32 -7.682 0.434 5.672 223 HZ1 LYS 32 1HZ LYS 32 -7.987 2.084 8.020 224 HZ2 LYS 32 2HZ LYS 32 -6.522 2.310 7.204 225 HZ3 LYS 32 3HZ LYS 32 -6.959 0.768 7.747 226 H THR 33 H THR 33 -5.499 2.726 0.235 227 HA THR 33 HA THR 33 -5.580 0.739 -1.687 228 HB THR 33 HB THR 33 -3.143 1.315 -0.002 229 HG1 THR 33 1HG THR 33 -3.399 3.301 -0.696 230 HG21 THR 33 1HG2 THR 33 -2.083 0.997 -2.328 231 HG22 THR 33 2HG2 THR 33 -3.619 0.249 -2.768 232 HG23 THR 33 3HG2 THR 33 -2.643 -0.437 -1.469 233 H ILE 34 H ILE 34 -4.862 -1.435 -1.723 234 HA ILE 34 HA ILE 34 -4.705 -2.780 0.883 235 HB ILE 34 HB ILE 34 -6.501 -3.561 -1.410 236 HG12 ILE 34 1HG1 ILE 34 -7.255 -3.339 1.489 237 HG13 ILE 34 2HG1 ILE 34 -7.178 -1.900 0.478 238 HG21 ILE 34 1HG2 ILE 34 -7.043 -5.565 0.002 239 HG22 ILE 34 2HG2 ILE 34 -5.440 -5.578 -0.732 240 HG23 ILE 34 3HG2 ILE 34 -5.625 -5.175 0.975 241 HD11 ILE 34 1HD1 ILE 34 -8.754 -3.109 -1.097 242 HD12 ILE 34 2HD1 ILE 34 -8.993 -4.268 0.211 243 HD13 ILE 34 3HD1 ILE 34 -9.417 -2.573 0.446 244 H PHE 35 H PHE 35 -3.633 -4.819 0.856 245 HA PHE 35 HA PHE 35 -2.195 -5.502 -1.599 246 HB2 PHE 35 1HB PHE 35 -0.956 -4.716 1.020 247 HB3 PHE 35 2HB PHE 35 -0.130 -5.849 -0.045 248 HD1 PHE 35 2HD PHE 35 0.387 -5.109 -2.410 249 HD2 PHE 35 1HD PHE 35 -0.843 -2.417 0.650 250 HE1 PHE 35 2HE PHE 35 1.298 -3.226 -3.705 251 HE2 PHE 35 1HE PHE 35 0.066 -0.530 -0.641 252 HZ PHE 35 HZ PHE 35 1.139 -0.933 -2.821 253 H ALA 36 H ALA 36 -2.853 -7.521 -1.954 254 HA ALA 36 HA ALA 36 -3.263 -9.336 0.301 255 HB1 ALA 36 1HB ALA 36 -5.095 -9.604 -1.018 256 HB2 ALA 36 2HB ALA 36 -4.220 -9.231 -2.504 257 HB3 ALA 36 3HB ALA 36 -4.049 -10.819 -1.755 258 H TYR 37 H TYR 37 -1.982 -11.039 0.728 259 HA TYR 37 HA TYR 37 0.225 -11.583 -1.149 260 HB2 TYR 37 1HB TYR 37 0.970 -10.522 0.961 261 HB3 TYR 37 2HB TYR 37 0.259 -11.854 1.865 262 HD1 TYR 37 1HD TYR 37 2.564 -11.466 -1.061 263 HD2 TYR 37 2HD TYR 37 1.765 -13.407 2.640 264 HE1 TYR 37 1HE TYR 37 4.667 -12.724 -1.274 265 HE2 TYR 37 2HE TYR 37 3.867 -14.669 2.438 266 HH TYR 37 HH TYR 37 5.854 -14.771 1.323 267 H PHE 38 H PHE 38 -0.568 -13.321 -2.232 268 HA PHE 38 HA PHE 38 -1.880 -15.488 -0.851 269 HB2 PHE 38 1HB PHE 38 -0.940 -15.430 -3.722 270 HB3 PHE 38 2HB PHE 38 -2.168 -16.479 -3.020 271 HD1 PHE 38 1HD PHE 38 -4.273 -15.353 -2.085 272 HD2 PHE 38 2HD PHE 38 -1.540 -13.424 -4.716 273 HE1 PHE 38 1HE PHE 38 -6.014 -13.725 -2.695 274 HE2 PHE 38 2HE PHE 38 -3.276 -11.793 -5.329 275 HZ PHE 38 HZ PHE 38 -5.517 -11.941 -4.318 276 H SER 39 H SER 39 -0.639 -16.739 0.399 277 HA SER 39 HA SER 39 1.611 -18.118 -0.840 278 HB2 SER 39 1HB SER 39 2.972 -16.569 0.181 279 HB3 SER 39 2HB SER 39 1.816 -16.246 1.473 280 HG SER 39 HG SER 39 3.067 -18.758 1.298 281 H GLY 40 H GLY 40 2.069 -20.137 0.064 282 HA2 GLY 40 1HA GLY 40 0.046 -21.712 0.945 283 HA3 GLY 40 2HA GLY 40 1.727 -22.023 1.355 284 H SER 41 H SER 41 -0.467 -22.701 2.996 285 HA SER 41 HA SER 41 -0.866 -20.763 5.041 286 HB2 SER 41 1HB SER 41 -2.503 -22.530 4.669 287 HB3 SER 41 2HB SER 41 -1.300 -23.760 5.057 288 HG SER 41 HG SER 41 -2.748 -23.181 6.810 289 H LYS 42 H LYS 42 -0.225 -21.064 7.311 290 HA LYS 42 HA LYS 42 2.596 -21.375 7.531 291 HB2 LYS 42 1HB LYS 42 0.525 -21.113 9.720 292 HB3 LYS 42 2HB LYS 42 2.260 -20.890 9.909 293 HG2 LYS 42 1HG LYS 42 2.259 -18.876 8.778 294 HG3 LYS 42 2HG LYS 42 0.743 -19.227 7.946 295 HD2 LYS 42 1HD LYS 42 -0.515 -18.891 9.952 296 HD3 LYS 42 2HD LYS 42 0.957 -18.783 10.920 297 HE2 LYS 42 1HE LYS 42 -0.035 -16.577 10.489 298 HE3 LYS 42 2HE LYS 42 1.578 -16.727 9.795 299 HZ1 LYS 42 1HZ LYS 42 -1.013 -16.865 8.359 300 HZ2 LYS 42 2HZ LYS 42 0.469 -17.263 7.649 301 HZ3 LYS 42 3HZ LYS 42 0.190 -15.687 8.196 302 H ASP 43 H ASP 43 3.559 -22.736 9.333 303 HA ASP 43 HA ASP 43 2.348 -25.422 9.268 304 HB2 ASP 43 1HB ASP 43 5.208 -24.525 9.102 305 HB3 ASP 43 2HB ASP 43 4.816 -26.135 9.699 306 H THR 44 H THR 44 3.603 -26.781 11.125 307 HA THR 44 HA THR 44 2.522 -25.852 13.553 308 HB THR 44 HB THR 44 3.525 -27.762 14.602 309 HG1 THR 44 1HG THR 44 5.628 -27.442 13.539 310 HG21 THR 44 1HG2 THR 44 3.177 -29.295 12.245 311 HG22 THR 44 2HG2 THR 44 2.049 -27.942 12.166 312 HG23 THR 44 3HG2 THR 44 2.025 -29.030 13.553 313 H GLU 45 H GLU 45 5.472 -25.152 11.991 314 HA GLU 45 HA GLU 45 6.865 -24.411 14.430 315 HB2 GLU 45 1HB GLU 45 8.092 -25.446 12.547 316 HB3 GLU 45 2HB GLU 45 7.692 -24.059 11.544 317 HG2 GLU 45 1HG GLU 45 9.777 -23.459 12.201 318 HG3 GLU 45 2HG GLU 45 8.843 -22.737 13.510 319 H GLY 46 H GLY 46 4.878 -22.959 12.024 320 HA2 GLY 46 1HA GLY 46 3.842 -20.835 12.515 321 HA3 GLY 46 2HA GLY 46 5.341 -20.336 13.286 322 H LYS 47 H LYS 47 5.412 -22.026 10.253 323 HA LYS 47 HA LYS 47 5.673 -19.549 8.738 324 HB2 LYS 47 1HB LYS 47 7.856 -19.865 8.027 325 HB3 LYS 47 2HB LYS 47 7.948 -20.374 9.708 326 HG2 LYS 47 1HG LYS 47 7.542 -22.288 7.426 327 HG3 LYS 47 2HG LYS 47 9.129 -21.848 8.060 328 HD2 LYS 47 1HD LYS 47 8.314 -22.599 10.320 329 HD3 LYS 47 2HD LYS 47 6.884 -23.243 9.509 330 HE2 LYS 47 1HE LYS 47 9.636 -24.002 8.601 331 HE3 LYS 47 2HE LYS 47 8.886 -24.815 9.974 332 HZ1 LYS 47 1HZ LYS 47 8.595 -25.670 7.509 333 HZ2 LYS 47 2HZ LYS 47 7.307 -24.574 7.530 334 HZ3 LYS 47 3HZ LYS 47 7.364 -25.831 8.660 335 H SER 48 H SER 48 5.902 -19.999 6.369 336 HA SER 48 HA SER 48 3.945 -21.933 5.590 337 HB2 SER 48 1HB SER 48 5.655 -19.958 4.097 338 HB3 SER 48 2HB SER 48 4.677 -21.143 3.233 339 HG SER 48 HG SER 48 3.850 -19.027 4.894 340 H TRP 49 H TRP 49 4.229 -23.698 4.164 341 HA TRP 49 HA TRP 49 6.405 -25.362 4.747 342 HB2 TRP 49 1HB TRP 49 5.530 -26.660 2.683 343 HB3 TRP 49 2HB TRP 49 4.465 -26.480 4.075 344 HD1 TRP 49 HD TRP 49 2.263 -25.059 3.759 345 HE1 TRP 49 1HE TRP 49 1.076 -24.097 1.687 346 HE3 TRP 49 3HE TRP 49 6.021 -25.618 0.338 347 HZ2 TRP 49 2HZ TRP 49 1.656 -23.637 -1.037 348 HZ3 TRP 49 3HZ TRP 49 5.624 -24.892 -1.979 349 HH2 TRP 49 HH TRP 49 3.486 -23.922 -2.651 350 H CYS 50 H CYS 50 5.748 -23.297 1.949 351 HA CYS 50 HA CYS 50 7.941 -24.109 0.387 352 HB2 CYS 50 1HB CYS 50 6.004 -22.802 -0.465 353 HB3 CYS 50 2HB CYS 50 6.595 -21.400 0.418 354 HG CYS 50 HG CYS 50 7.098 -21.414 -2.467 355 HA PRO 51 HA PRO 51 11.312 -22.343 2.629 356 HB2 PRO 51 1HB PRO 51 13.180 -22.511 0.665 357 HB3 PRO 51 2HB PRO 51 12.620 -23.915 1.581 358 HG2 PRO 51 1HG PRO 51 11.797 -22.977 -1.140 359 HG3 PRO 51 2HG PRO 51 12.142 -24.624 -0.581 360 HD2 PRO 51 1HD PRO 51 9.620 -23.678 -0.857 361 HD3 PRO 51 2HD PRO 51 10.063 -24.867 0.384 362 H ASP 52 H ASP 52 10.093 -21.076 -0.365 363 HA ASP 52 HA ASP 52 11.735 -18.697 -0.293 364 HB2 ASP 52 1HB ASP 52 9.347 -19.361 -2.028 365 HB3 ASP 52 2HB ASP 52 10.446 -18.005 -2.262 366 H CYS 53 H CYS 53 8.352 -19.549 0.319 367 HA CYS 53 HA CYS 53 7.368 -16.987 0.816 368 HB2 CYS 53 1HB CYS 53 6.536 -19.669 1.929 369 HB3 CYS 53 2HB CYS 53 5.634 -18.185 2.212 370 HG CYS 53 HG CYS 53 6.169 -19.658 -0.831 371 H VAL 54 H VAL 54 9.132 -19.206 2.881 372 HA VAL 54 HA VAL 54 8.707 -17.747 5.300 373 HB VAL 54 HB VAL 54 10.897 -19.731 4.672 374 HG11 VAL 54 1HG1 VAL 54 10.022 -18.317 7.122 375 HG12 VAL 54 2HG1 VAL 54 10.456 -20.020 7.289 376 HG13 VAL 54 3HG1 VAL 54 11.627 -18.869 6.641 377 HG21 VAL 54 1HG2 VAL 54 8.791 -20.776 6.306 378 HG22 VAL 54 2HG2 VAL 54 8.116 -20.144 4.804 379 HG23 VAL 54 3HG2 VAL 54 9.391 -21.362 4.755 380 H GLU 55 H GLU 55 10.946 -17.527 2.666 381 HA GLU 55 HA GLU 55 12.723 -15.760 4.170 382 HB2 GLU 55 1HB GLU 55 13.812 -17.430 2.796 383 HB3 GLU 55 2HB GLU 55 12.916 -16.901 1.379 384 HG2 GLU 55 1HG GLU 55 14.069 -14.785 1.385 385 HG3 GLU 55 2HG GLU 55 14.898 -15.208 2.882 386 H ALA 56 H ALA 56 9.986 -15.560 2.246 387 HA ALA 56 HA ALA 56 10.643 -12.865 1.282 388 HB1 ALA 56 1HB ALA 56 8.143 -13.494 0.290 389 HB2 ALA 56 2HB ALA 56 9.676 -13.636 -0.572 390 HB3 ALA 56 3HB ALA 56 9.002 -15.034 0.267 391 H GLU 57 H GLU 57 8.387 -14.654 3.303 392 HA GLU 57 HA GLU 57 6.397 -12.905 3.834 393 HB2 GLU 57 1HB GLU 57 7.214 -15.194 4.998 394 HB3 GLU 57 2HB GLU 57 7.652 -14.052 6.261 395 HG2 GLU 57 1HG GLU 57 4.930 -13.892 5.076 396 HG3 GLU 57 2HG GLU 57 5.292 -15.195 6.207 397 HA PRO 58 HA PRO 58 9.168 -10.473 6.985 398 HB2 PRO 58 1HB PRO 58 11.849 -10.832 6.761 399 HB3 PRO 58 2HB PRO 58 10.833 -11.820 7.817 400 HG2 PRO 58 1HG PRO 58 11.882 -12.435 5.082 401 HG3 PRO 58 2HG PRO 58 11.795 -13.484 6.509 402 HD2 PRO 58 1HD PRO 58 9.995 -13.618 4.491 403 HD3 PRO 58 2HD PRO 58 9.565 -13.960 6.179 404 H VAL 59 H VAL 59 10.785 -11.127 3.883 405 HA VAL 59 HA VAL 59 11.869 -8.589 3.464 406 HB VAL 59 HB VAL 59 10.851 -10.458 1.321 407 HG11 VAL 59 1HG1 VAL 59 11.411 -8.209 0.532 408 HG12 VAL 59 2HG1 VAL 59 13.014 -8.356 1.255 409 HG13 VAL 59 3HG1 VAL 59 12.547 -9.411 -0.079 410 HG21 VAL 59 1HG2 VAL 59 12.715 -11.751 1.515 411 HG22 VAL 59 2HG2 VAL 59 13.701 -10.433 2.149 412 HG23 VAL 59 3HG2 VAL 59 12.551 -11.259 3.201 413 H ILE 60 H ILE 60 8.630 -9.801 2.978 414 HA ILE 60 HA ILE 60 7.791 -7.425 1.533 415 HB ILE 60 HB ILE 60 6.112 -9.722 2.545 416 HG12 ILE 60 1HG1 ILE 60 7.386 -9.239 -0.155 417 HG13 ILE 60 2HG1 ILE 60 7.765 -10.540 0.969 418 HG21 ILE 60 1HG2 ILE 60 4.968 -8.523 0.284 419 HG22 ILE 60 2HG2 ILE 60 4.382 -8.467 1.946 420 HG23 ILE 60 3HG2 ILE 60 5.453 -7.201 1.346 421 HD11 ILE 60 1HD1 ILE 60 5.524 -10.255 -0.920 422 HD12 ILE 60 2HD1 ILE 60 6.398 -11.694 -0.394 423 HD13 ILE 60 3HD1 ILE 60 5.151 -10.993 0.637 424 H ARG 61 H ARG 61 7.559 -8.799 4.749 425 HA ARG 61 HA ARG 61 5.591 -7.002 5.737 426 HB2 ARG 61 1HB ARG 61 7.471 -8.982 6.911 427 HB3 ARG 61 2HB ARG 61 6.844 -7.740 7.986 428 HG2 ARG 61 1HG ARG 61 5.038 -9.416 6.276 429 HG3 ARG 61 2HG ARG 61 5.579 -9.941 7.871 430 HD2 ARG 61 1HD ARG 61 4.424 -7.215 7.605 431 HD3 ARG 61 2HD ARG 61 3.326 -8.592 7.528 432 HE ARG 61 HE ARG 61 3.796 -9.073 9.760 433 HH11 ARG 61 2HH1 ARG 61 5.694 -6.393 8.606 434 HH12 ARG 61 1HH1 ARG 61 6.173 -5.881 10.190 435 HH21 ARG 61 2HH2 ARG 61 4.419 -8.409 11.851 436 HH22 ARG 61 1HH2 ARG 61 5.448 -7.029 12.035 437 H GLU 62 H GLU 62 9.098 -6.932 5.554 438 HA GLU 62 HA GLU 62 9.384 -4.612 7.213 439 HB2 GLU 62 1HB GLU 62 11.260 -6.058 5.347 440 HB3 GLU 62 2HB GLU 62 11.729 -4.603 6.215 441 HG2 GLU 62 1HG GLU 62 11.223 -5.749 8.341 442 HG3 GLU 62 2HG GLU 62 10.865 -7.216 7.432 443 H GLY 63 H GLY 63 9.446 -5.223 3.715 444 HA2 GLY 63 1HA GLY 63 10.039 -2.616 2.882 445 HA3 GLY 63 2HA GLY 63 9.177 -3.812 1.926 446 H LEU 64 H LEU 64 7.063 -3.994 4.035 447 HA LEU 64 HA LEU 64 5.237 -2.183 2.927 448 HB2 LEU 64 1HB LEU 64 5.252 -3.930 5.344 449 HB3 LEU 64 2HB LEU 64 3.959 -2.750 5.145 450 HG LEU 64 HG LEU 64 4.600 -4.806 3.045 451 HD11 LEU 64 1HD1 LEU 64 3.910 -5.601 5.483 452 HD12 LEU 64 2HD1 LEU 64 3.290 -6.378 4.027 453 HD13 LEU 64 3HD1 LEU 64 2.305 -5.190 4.879 454 HD21 LEU 64 1HD2 LEU 64 2.055 -3.303 3.628 455 HD22 LEU 64 2HD2 LEU 64 2.411 -4.312 2.226 456 HD23 LEU 64 3HD2 LEU 64 3.260 -2.781 2.451 457 H LYS 65 H LYS 65 7.534 -1.823 5.472 458 HA LYS 65 HA LYS 65 6.301 0.381 6.794 459 HB2 LYS 65 1HB LYS 65 8.980 -0.922 6.847 460 HB3 LYS 65 2HB LYS 65 8.848 0.709 7.492 461 HG2 LYS 65 1HG LYS 65 6.863 -1.298 8.401 462 HG3 LYS 65 2HG LYS 65 8.517 -1.436 9.002 463 HD2 LYS 65 1HD LYS 65 7.352 -0.100 10.571 464 HD3 LYS 65 2HD LYS 65 8.356 1.008 9.632 465 HE2 LYS 65 1HE LYS 65 6.475 1.704 8.325 466 HE3 LYS 65 2HE LYS 65 5.453 0.457 9.039 467 HZ1 LYS 65 1HZ LYS 65 6.710 2.401 10.831 468 HZ2 LYS 65 2HZ LYS 65 5.214 1.623 10.962 469 HZ3 LYS 65 3HZ LYS 65 5.400 2.921 9.895 470 H HIS 66 H HIS 66 8.626 0.055 4.169 471 HA HIS 66 HA HIS 66 9.334 2.786 3.993 472 HB2 HIS 66 1HB HIS 66 9.378 0.629 1.872 473 HB3 HIS 66 2HB HIS 66 10.159 2.201 1.729 474 HD1 HIS 66 1HD HIS 66 12.537 2.244 2.400 475 HD2 HIS 66 2HD HIS 66 10.478 -0.882 4.204 476 HE1 HIS 66 1HE HIS 66 14.269 0.951 3.686 477 HE2 HIS 66 2HE HIS 66 13.014 -0.984 4.699 478 H VAL 67 H VAL 67 6.560 1.017 2.974 479 HA VAL 67 HA VAL 67 5.561 2.298 0.808 480 HB VAL 67 HB VAL 67 4.443 0.516 2.297 481 HG11 VAL 67 1HG1 VAL 67 3.135 1.125 4.067 482 HG12 VAL 67 2HG1 VAL 67 4.395 2.353 4.200 483 HG13 VAL 67 3HG1 VAL 67 2.852 2.749 3.442 484 HG21 VAL 67 1HG2 VAL 67 2.175 2.063 1.581 485 HG22 VAL 67 2HG2 VAL 67 3.433 2.353 0.380 486 HG23 VAL 67 3HG2 VAL 67 2.897 0.707 0.715 487 H THR 68 H THR 68 4.427 4.172 0.351 488 HA THR 68 HA THR 68 4.524 6.262 2.430 489 HB THR 68 HB THR 68 6.171 6.545 0.519 490 HG1 THR 68 1HG THR 68 4.969 8.274 1.873 491 HG21 THR 68 1HG2 THR 68 4.427 7.789 -1.322 492 HG22 THR 68 2HG2 THR 68 3.772 6.184 -0.998 493 HG23 THR 68 3HG2 THR 68 5.429 6.360 -1.573 494 H GLU 69 H GLU 69 2.342 4.404 1.631 495 HA GLU 69 HA GLU 69 0.286 6.439 1.299 496 HB2 GLU 69 1HB GLU 69 -0.854 5.263 -0.489 497 HB3 GLU 69 2HB GLU 69 0.784 5.657 -0.992 498 HG2 GLU 69 1HG GLU 69 1.356 3.271 -0.194 499 HG3 GLU 69 2HG GLU 69 -0.383 2.999 -0.288 500 H ASP 70 H ASP 70 -1.174 6.123 2.830 501 HA ASP 70 HA ASP 70 -1.246 4.075 4.644 502 HB2 ASP 70 1HB ASP 70 -3.839 5.328 3.833 503 HB3 ASP 70 2HB ASP 70 -3.221 4.982 5.446 504 H CYS 71 H CYS 71 -1.106 2.015 3.862 505 HA CYS 71 HA CYS 71 -3.387 1.065 2.256 506 HB2 CYS 71 1HB CYS 71 -1.940 -0.618 1.286 507 HB3 CYS 71 2HB CYS 71 -1.213 0.968 1.060 508 HG CYS 71 HG CYS 71 -0.190 -1.570 3.073 509 H VAL 72 H VAL 72 -3.652 -1.412 2.534 510 HA VAL 72 HA VAL 72 -3.282 -2.152 5.358 511 HB VAL 72 HB VAL 72 -5.827 -2.438 3.758 512 HG11 VAL 72 1HG1 VAL 72 -6.031 -4.351 4.934 513 HG12 VAL 72 2HG1 VAL 72 -4.836 -3.865 6.137 514 HG13 VAL 72 3HG1 VAL 72 -6.490 -3.258 6.239 515 HG21 VAL 72 1HG2 VAL 72 -6.450 -1.255 6.142 516 HG22 VAL 72 2HG2 VAL 72 -4.870 -0.559 5.785 517 HG23 VAL 72 3HG2 VAL 72 -6.186 -0.401 4.622 518 H PHE 73 H PHE 73 -1.693 -3.645 4.984 519 HA PHE 73 HA PHE 73 -1.634 -5.487 2.868 520 HB2 PHE 73 1HB PHE 73 0.288 -4.848 4.386 521 HB3 PHE 73 2HB PHE 73 -0.415 -5.913 5.598 522 HD1 PHE 73 2HD PHE 73 -0.105 -6.373 1.922 523 HD2 PHE 73 1HD PHE 73 1.072 -7.675 5.800 524 HE1 PHE 73 2HE PHE 73 1.075 -8.285 0.918 525 HE2 PHE 73 1HE PHE 73 2.255 -9.588 4.802 526 HZ PHE 73 HZ PHE 73 2.256 -9.896 2.359 527 H ILE 74 H ILE 74 -2.060 -7.736 2.832 528 HA ILE 74 HA ILE 74 -3.756 -8.803 4.962 529 HB ILE 74 HB ILE 74 -4.576 -8.847 2.055 530 HG12 ILE 74 1HG1 ILE 74 -5.883 -7.441 4.394 531 HG13 ILE 74 2HG1 ILE 74 -4.871 -6.643 3.195 532 HG21 ILE 74 1HG2 ILE 74 -6.499 -9.639 4.117 533 HG22 ILE 74 2HG2 ILE 74 -6.142 -10.372 2.554 534 HG23 ILE 74 3HG2 ILE 74 -5.121 -10.726 3.947 535 HD11 ILE 74 1HD1 ILE 74 -7.475 -8.051 2.658 536 HD12 ILE 74 2HD1 ILE 74 -7.219 -6.306 2.714 537 HD13 ILE 74 3HD1 ILE 74 -6.458 -7.269 1.448 538 H TYR 75 H TYR 75 -2.877 -10.666 5.544 539 HA TYR 75 HA TYR 75 -1.201 -12.148 3.695 540 HB2 TYR 75 1HB TYR 75 -0.631 -11.720 6.143 541 HB3 TYR 75 2HB TYR 75 -1.867 -12.910 6.537 542 HD1 TYR 75 1HD TYR 75 -1.578 -15.137 4.940 543 HD2 TYR 75 2HD TYR 75 1.520 -12.523 6.233 544 HE1 TYR 75 1HE TYR 75 0.063 -16.945 4.643 545 HE2 TYR 75 2HE TYR 75 3.169 -14.323 5.939 546 HH TYR 75 HH TYR 75 3.398 -16.584 5.669 547 H CYS 76 H CYS 76 -2.688 -12.977 2.213 548 HA CYS 76 HA CYS 76 -4.819 -14.703 3.194 549 HB2 CYS 76 1HB CYS 76 -5.288 -13.146 1.340 550 HB3 CYS 76 2HB CYS 76 -4.067 -13.950 0.362 551 HG CYS 76 HG CYS 76 -5.433 -16.355 0.166 552 H GLN 77 H GLN 77 -4.655 -16.842 3.340 553 HA GLN 77 HA GLN 77 -2.285 -18.131 2.183 554 HB2 GLN 77 1HB GLN 77 -4.130 -19.203 4.320 555 HB3 GLN 77 2HB GLN 77 -2.579 -19.872 3.831 556 HG2 GLN 77 1HG GLN 77 -1.383 -18.303 4.963 557 HG3 GLN 77 2HG GLN 77 -2.635 -17.072 4.805 558 HE21 GLN 77 1HE2 GLN 77 -2.418 -20.334 6.198 559 HE22 GLN 77 2HE2 GLN 77 -3.104 -19.911 7.726 560 H VAL 78 H VAL 78 -2.549 -19.284 0.401 561 HA VAL 78 HA VAL 78 -4.888 -19.749 -0.948 562 HB VAL 78 HB VAL 78 -3.687 -21.669 -2.068 563 HG11 VAL 78 1HG1 VAL 78 -3.245 -18.901 -2.186 564 HG12 VAL 78 2HG1 VAL 78 -1.654 -19.656 -2.295 565 HG13 VAL 78 3HG1 VAL 78 -2.921 -20.098 -3.440 566 HG21 VAL 78 1HG2 VAL 78 -1.639 -20.942 0.005 567 HG22 VAL 78 2HG2 VAL 78 -2.290 -22.533 -0.391 568 HG23 VAL 78 3HG2 VAL 78 -1.194 -21.724 -1.512 569 H GLY 79 H GLY 79 -3.253 -21.988 1.287 570 HA2 GLY 79 1HA GLY 79 -5.299 -23.007 2.670 571 HA3 GLY 79 2HA GLY 79 -5.485 -23.846 1.137 572 H ASP 80 H ASP 80 -3.371 -24.871 0.326 573 HA ASP 80 HA ASP 80 -1.582 -25.757 2.426 574 HB2 ASP 80 1HB ASP 80 -3.005 -27.905 0.881 575 HB3 ASP 80 2HB ASP 80 -2.102 -28.039 2.388 576 H LYS 81 H LYS 81 0.067 -27.342 1.497 577 HA LYS 81 HA LYS 81 1.355 -26.162 -0.684 578 HB2 LYS 81 1HB LYS 81 2.859 -27.340 0.563 579 HB3 LYS 81 2HB LYS 81 1.717 -28.629 0.918 580 HG2 LYS 81 1HG LYS 81 2.070 -29.629 -1.220 581 HG3 LYS 81 2HG LYS 81 3.033 -28.252 -1.761 582 HD2 LYS 81 1HD LYS 81 4.495 -28.870 0.338 583 HD3 LYS 81 2HD LYS 81 3.745 -30.453 0.122 584 HE2 LYS 81 1HE LYS 81 4.458 -30.045 -2.392 585 HE3 LYS 81 2HE LYS 81 5.648 -28.987 -1.634 586 HZ1 LYS 81 1HZ LYS 81 5.713 -31.306 -0.169 587 HZ2 LYS 81 2HZ LYS 81 6.858 -30.801 -1.307 588 HZ3 LYS 81 3HZ LYS 81 5.597 -31.829 -1.773 589 HA PRO 82 HA PRO 82 -0.146 -29.878 -3.380 590 HB2 PRO 82 1HB PRO 82 -2.047 -31.501 -2.320 591 HB3 PRO 82 2HB PRO 82 -0.315 -31.787 -2.114 592 HG2 PRO 82 1HG PRO 82 -2.264 -30.521 -0.227 593 HG3 PRO 82 2HG PRO 82 -0.979 -31.695 0.113 594 HD2 PRO 82 1HD PRO 82 -0.696 -29.045 0.595 595 HD3 PRO 82 2HD PRO 82 0.666 -30.081 0.122 596 H TYR 83 H TYR 83 -2.158 -27.888 -1.461 597 HA TYR 83 HA TYR 83 -4.518 -28.155 -3.098 598 HB2 TYR 83 1HB TYR 83 -5.010 -27.624 -0.867 599 HB3 TYR 83 2HB TYR 83 -3.747 -26.401 -0.782 600 HD1 TYR 83 2HD TYR 83 -4.092 -24.191 -1.839 601 HD2 TYR 83 1HD TYR 83 -7.197 -27.096 -1.680 602 HE1 TYR 83 2HE TYR 83 -5.746 -22.443 -2.345 603 HE2 TYR 83 1HE TYR 83 -8.859 -25.356 -2.187 604 HH TYR 83 HH TYR 83 -8.298 -22.610 -3.518 605 H TRP 84 H TRP 84 -1.848 -25.885 -2.750 606 HA TRP 84 HA TRP 84 -2.781 -23.791 -4.315 607 HB2 TRP 84 1HB TRP 84 -0.785 -23.387 -3.147 608 HB3 TRP 84 2HB TRP 84 -0.021 -24.848 -3.764 609 HD1 TRP 84 HD TRP 84 1.950 -24.108 -5.216 610 HE1 TRP 84 1HE TRP 84 2.323 -22.363 -7.071 611 HE3 TRP 84 3HE TRP 84 -2.635 -21.848 -5.138 612 HZ2 TRP 84 2HZ TRP 84 0.866 -20.301 -8.334 613 HZ3 TRP 84 3HZ TRP 84 -3.064 -19.997 -6.702 614 HH2 TRP 84 HH TRP 84 -1.348 -19.241 -8.265 615 H LYS 85 H LYS 85 -1.195 -26.795 -5.284 616 HA LYS 85 HA LYS 85 -0.781 -26.234 -7.980 617 HB2 LYS 85 1HB LYS 85 -1.230 -28.761 -6.435 618 HB3 LYS 85 2HB LYS 85 -1.158 -28.820 -8.191 619 HG2 LYS 85 1HG LYS 85 1.067 -27.874 -8.166 620 HG3 LYS 85 2HG LYS 85 0.997 -27.700 -6.411 621 HD2 LYS 85 1HD LYS 85 0.571 -30.384 -7.654 622 HD3 LYS 85 2HD LYS 85 2.209 -29.753 -7.477 623 HE2 LYS 85 1HE LYS 85 1.539 -29.312 -5.029 624 HE3 LYS 85 2HE LYS 85 0.200 -30.413 -5.350 625 HZ1 LYS 85 1HZ LYS 85 2.903 -31.023 -4.797 626 HZ2 LYS 85 2HZ LYS 85 2.482 -31.650 -6.310 627 HZ3 LYS 85 3HZ LYS 85 1.585 -32.074 -4.940 628 H ASP 86 H ASP 86 -3.682 -27.222 -6.279 629 HA ASP 86 HA ASP 86 -5.350 -28.135 -8.202 630 HB2 ASP 86 1HB ASP 86 -6.094 -26.021 -6.168 631 HB3 ASP 86 2HB ASP 86 -7.209 -27.110 -6.987 632 HA PRO 87 HA PRO 87 -4.964 -24.738 -11.160 633 HB2 PRO 87 1HB PRO 87 -5.951 -26.164 -13.248 634 HB3 PRO 87 2HB PRO 87 -4.273 -26.291 -12.705 635 HG2 PRO 87 1HG PRO 87 -6.594 -28.092 -12.126 636 HG3 PRO 87 2HG PRO 87 -4.923 -28.518 -12.540 637 HD2 PRO 87 1HD PRO 87 -5.852 -28.566 -9.997 638 HD3 PRO 87 2HD PRO 87 -4.168 -28.165 -10.391 639 H ASN 88 H ASN 88 -7.616 -26.301 -9.793 640 HA ASN 88 HA ASN 88 -9.540 -24.658 -11.289 641 HB2 ASN 88 1HB ASN 88 -10.236 -26.886 -9.380 642 HB3 ASN 88 2HB ASN 88 -11.243 -26.174 -10.638 643 HD21 ASN 88 1HD2 ASN 88 -10.942 -28.876 -10.467 644 HD22 ASN 88 2HD2 ASN 88 -10.012 -29.449 -11.806 645 H ASN 89 H ASN 89 -7.719 -23.773 -9.094 646 HA ASN 89 HA ASN 89 -9.482 -23.251 -6.860 647 HB2 ASN 89 1HB ASN 89 -6.608 -22.728 -7.481 648 HB3 ASN 89 2HB ASN 89 -7.389 -21.745 -6.246 649 HD21 ASN 89 1HD2 ASN 89 -5.301 -23.327 -5.570 650 HD22 ASN 89 2HD2 ASN 89 -5.843 -24.655 -4.608 651 H ASP 90 H ASP 90 -10.198 -21.205 -6.196 652 HA ASP 90 HA ASP 90 -11.075 -19.495 -8.253 653 HB2 ASP 90 1HB ASP 90 -11.047 -19.319 -5.258 654 HB3 ASP 90 2HB ASP 90 -11.536 -17.925 -6.217 655 H PHE 91 H PHE 91 -8.094 -19.702 -6.640 656 HA PHE 91 HA PHE 91 -7.338 -16.946 -6.856 657 HB2 PHE 91 1HB PHE 91 -5.650 -19.422 -6.438 658 HB3 PHE 91 2HB PHE 91 -5.075 -17.765 -6.280 659 HD1 PHE 91 2HD PHE 91 -6.140 -16.295 -4.512 660 HD2 PHE 91 1HD PHE 91 -6.661 -20.517 -4.647 661 HE1 PHE 91 2HE PHE 91 -6.828 -16.282 -2.149 662 HE2 PHE 91 1HE PHE 91 -7.350 -20.511 -2.285 663 HZ PHE 91 HZ PHE 91 -7.433 -18.392 -1.033 664 H ARG 92 H ARG 92 -6.919 -19.841 -8.809 665 HA ARG 92 HA ARG 92 -5.335 -18.361 -10.767 666 HB2 ARG 92 1HB ARG 92 -6.153 -21.263 -10.890 667 HB3 ARG 92 2HB ARG 92 -4.866 -20.470 -11.788 668 HG2 ARG 92 1HG ARG 92 -3.449 -20.413 -9.971 669 HG3 ARG 92 2HG ARG 92 -4.770 -20.528 -8.807 670 HD2 ARG 92 1HD ARG 92 -4.986 -22.809 -9.076 671 HD3 ARG 92 2HD ARG 92 -4.266 -22.791 -10.685 672 HE ARG 92 HE ARG 92 -2.902 -23.120 -8.207 673 HH11 ARG 92 2HH1 ARG 92 -2.585 -21.809 -11.416 674 HH12 ARG 92 1HH1 ARG 92 -0.858 -21.952 -11.445 675 HH21 ARG 92 2HH2 ARG 92 -0.630 -23.313 -8.233 676 HH22 ARG 92 1HH2 ARG 92 0.253 -22.809 -9.634 677 H GLN 93 H GLN 93 -8.548 -19.067 -10.131 678 HA GLN 93 HA GLN 93 -9.323 -18.996 -12.958 679 HB2 GLN 93 1HB GLN 93 -11.016 -19.521 -10.509 680 HB3 GLN 93 2HB GLN 93 -11.556 -19.634 -12.179 681 HG2 GLN 93 1HG GLN 93 -9.227 -21.272 -11.332 682 HG3 GLN 93 2HG GLN 93 -10.840 -21.761 -10.814 683 HE21 GLN 93 1HE2 GLN 93 -8.695 -22.645 -12.887 684 HE22 GLN 93 2HE2 GLN 93 -9.646 -22.996 -14.286 685 H LYS 94 H LYS 94 -9.746 -17.278 -9.907 686 HA LYS 94 HA LYS 94 -11.187 -15.140 -11.304 687 HB2 LYS 94 1HB LYS 94 -10.721 -15.459 -8.335 688 HB3 LYS 94 2HB LYS 94 -11.815 -14.324 -9.114 689 HG2 LYS 94 1HG LYS 94 -12.871 -16.529 -10.089 690 HG3 LYS 94 2HG LYS 94 -12.110 -17.246 -8.667 691 HD2 LYS 94 1HD LYS 94 -13.247 -15.450 -7.305 692 HD3 LYS 94 2HD LYS 94 -14.164 -15.045 -8.758 693 HE2 LYS 94 1HE LYS 94 -15.295 -17.073 -8.759 694 HE3 LYS 94 2HE LYS 94 -14.082 -17.863 -7.753 695 HZ1 LYS 94 1HZ LYS 94 -14.827 -16.299 -5.941 696 HZ2 LYS 94 2HZ LYS 94 -15.931 -17.504 -6.377 697 HZ3 LYS 94 3HZ LYS 94 -16.152 -15.917 -6.920 698 H LEU 95 H LEU 95 -8.536 -15.501 -8.944 699 HA LEU 95 HA LEU 95 -7.577 -12.835 -9.486 700 HB2 LEU 95 1HB LEU 95 -6.504 -15.080 -7.790 701 HB3 LEU 95 2HB LEU 95 -5.730 -13.503 -7.929 702 HG LEU 95 HG LEU 95 -8.518 -13.942 -6.865 703 HD11 LEU 95 1HD1 LEU 95 -5.871 -14.095 -5.585 704 HD12 LEU 95 2HD1 LEU 95 -7.411 -14.810 -5.108 705 HD13 LEU 95 3HD1 LEU 95 -7.075 -13.118 -4.745 706 HD21 LEU 95 1HD2 LEU 95 -6.699 -11.543 -6.970 707 HD22 LEU 95 2HD2 LEU 95 -8.163 -11.629 -5.989 708 HD23 LEU 95 3HD2 LEU 95 -8.270 -11.737 -7.747 709 H LYS 96 H LYS 96 -7.189 -15.862 -10.904 710 HA LYS 96 HA LYS 96 -5.679 -16.773 -12.360 711 HB2 LYS 96 1HB LYS 96 -5.574 -13.856 -13.140 712 HB3 LYS 96 2HB LYS 96 -4.883 -15.154 -14.104 713 HG2 LYS 96 1HG LYS 96 -7.750 -15.312 -13.316 714 HG3 LYS 96 2HG LYS 96 -7.270 -14.223 -14.620 715 HD2 LYS 96 1HD LYS 96 -6.241 -17.011 -14.681 716 HD3 LYS 96 2HD LYS 96 -7.941 -16.749 -15.075 717 HE2 LYS 96 1HE LYS 96 -6.930 -16.578 -17.145 718 HE3 LYS 96 2HE LYS 96 -7.024 -14.892 -16.640 719 HZ1 LYS 96 1HZ LYS 96 -4.815 -15.888 -17.572 720 HZ2 LYS 96 2HZ LYS 96 -4.612 -16.422 -15.980 721 HZ3 LYS 96 3HZ LYS 96 -4.784 -14.770 -16.303 722 H ILE 97 H ILE 97 -4.483 -16.596 -9.962 723 HA ILE 97 HA ILE 97 -2.129 -15.086 -9.799 724 HB ILE 97 HB ILE 97 -2.711 -17.785 -8.573 725 HG12 ILE 97 1HG1 ILE 97 -4.314 -15.946 -8.007 726 HG13 ILE 97 2HG1 ILE 97 -3.427 -16.570 -6.621 727 HG21 ILE 97 1HG2 ILE 97 -0.996 -17.020 -6.886 728 HG22 ILE 97 2HG2 ILE 97 -0.371 -17.460 -8.474 729 HG23 ILE 97 3HG2 ILE 97 -0.552 -15.761 -8.039 730 HD11 ILE 97 1HD1 ILE 97 -2.039 -14.661 -6.540 731 HD12 ILE 97 2HD1 ILE 97 -2.606 -14.098 -8.113 732 HD13 ILE 97 3HD1 ILE 97 -3.694 -14.079 -6.726 733 H THR 98 H THR 98 0.054 -15.656 -10.136 734 HA THR 98 HA THR 98 0.426 -17.507 -12.373 735 HB THR 98 HB THR 98 2.320 -15.434 -11.249 736 HG1 THR 98 1HG THR 98 0.396 -15.418 -13.300 737 HG21 THR 98 1HG2 THR 98 2.717 -16.450 -13.974 738 HG22 THR 98 2HG2 THR 98 3.004 -17.637 -12.702 739 HG23 THR 98 3HG2 THR 98 3.895 -16.116 -12.706 740 H ALA 99 H ALA 99 2.319 -16.597 -9.485 741 HA ALA 99 HA ALA 99 2.634 -19.372 -8.742 742 HB1 ALA 99 1HB ALA 99 4.919 -19.610 -9.065 743 HB2 ALA 99 2HB ALA 99 4.399 -18.779 -10.531 744 HB3 ALA 99 3HB ALA 99 5.178 -17.874 -9.234 745 H VAL 100 H VAL 100 2.611 -19.496 -6.597 746 HA VAL 100 HA VAL 100 2.784 -17.102 -5.004 747 HB VAL 100 HB VAL 100 2.191 -18.500 -3.119 748 HG11 VAL 100 1HG1 VAL 100 0.028 -19.101 -3.783 749 HG12 VAL 100 2HG1 VAL 100 0.492 -17.826 -4.911 750 HG13 VAL 100 3HG1 VAL 100 0.548 -19.516 -5.416 751 HG21 VAL 100 1HG2 VAL 100 1.904 -20.927 -3.367 752 HG22 VAL 100 2HG2 VAL 100 2.566 -20.830 -4.999 753 HG23 VAL 100 3HG2 VAL 100 3.580 -20.433 -3.611 754 HA PRO 101 HA PRO 101 3.078 -16.713 -2.754 755 HB2 PRO 101 1HB PRO 101 4.615 -14.636 -1.921 756 HB3 PRO 101 2HB PRO 101 4.502 -16.162 -1.036 757 HG2 PRO 101 1HG PRO 101 6.626 -15.221 -2.924 758 HG3 PRO 101 2HG PRO 101 6.801 -16.058 -1.371 759 HD2 PRO 101 1HD PRO 101 7.005 -17.339 -3.747 760 HD3 PRO 101 2HD PRO 101 6.359 -18.124 -2.291 761 H THR 102 H THR 102 1.806 -15.169 -3.621 762 HA THR 102 HA THR 102 2.926 -13.551 -5.817 763 HB THR 102 HB THR 102 0.114 -14.634 -5.552 764 HG1 THR 102 1HG THR 102 2.315 -15.282 -7.231 765 HG21 THR 102 1HG2 THR 102 0.094 -12.429 -6.580 766 HG22 THR 102 2HG2 THR 102 -0.235 -13.666 -7.793 767 HG23 THR 102 3HG2 THR 102 1.360 -12.921 -7.705 768 H LEU 103 H LEU 103 3.149 -11.515 -5.163 769 HA LEU 103 HA LEU 103 1.271 -10.403 -3.216 770 HB2 LEU 103 1HB LEU 103 3.643 -10.142 -2.751 771 HB3 LEU 103 2HB LEU 103 3.874 -9.334 -4.301 772 HG LEU 103 HG LEU 103 2.430 -7.484 -3.498 773 HD11 LEU 103 1HD1 LEU 103 2.531 -9.016 -0.905 774 HD12 LEU 103 2HD1 LEU 103 1.099 -8.647 -1.866 775 HD13 LEU 103 3HD1 LEU 103 1.985 -7.347 -1.069 776 HD21 LEU 103 1HD2 LEU 103 5.088 -8.080 -2.821 777 HD22 LEU 103 2HD2 LEU 103 4.353 -7.396 -1.371 778 HD23 LEU 103 3HD2 LEU 103 4.320 -6.493 -2.887 779 H LEU 104 H LEU 104 -0.544 -9.837 -4.320 780 HA LEU 104 HA LEU 104 -0.264 -8.194 -6.730 781 HB2 LEU 104 1HB LEU 104 -1.789 -9.834 -7.221 782 HB3 LEU 104 2HB LEU 104 -2.425 -9.884 -5.579 783 HG LEU 104 HG LEU 104 -3.504 -7.645 -6.073 784 HD11 LEU 104 1HD1 LEU 104 -3.783 -6.969 -8.338 785 HD12 LEU 104 2HD1 LEU 104 -2.958 -8.409 -8.933 786 HD13 LEU 104 3HD1 LEU 104 -2.054 -7.175 -8.056 787 HD21 LEU 104 1HD2 LEU 104 -5.424 -8.653 -6.915 788 HD22 LEU 104 2HD2 LEU 104 -4.564 -9.990 -6.151 789 HD23 LEU 104 3HD2 LEU 104 -4.511 -9.793 -7.904 790 H LYS 105 H LYS 105 -0.737 -6.082 -6.762 791 HA LYS 105 HA LYS 105 -1.536 -4.826 -4.251 792 HB2 LYS 105 1HB LYS 105 0.435 -3.927 -5.365 793 HB3 LYS 105 2HB LYS 105 -0.494 -3.643 -6.831 794 HG2 LYS 105 1HG LYS 105 -1.760 -1.924 -5.799 795 HG3 LYS 105 2HG LYS 105 -1.130 -2.332 -4.202 796 HD2 LYS 105 1HD LYS 105 1.146 -1.718 -5.030 797 HD3 LYS 105 2HD LYS 105 0.393 -1.148 -6.521 798 HE2 LYS 105 1HE LYS 105 -0.660 -0.127 -3.935 799 HE3 LYS 105 2HE LYS 105 0.899 0.479 -4.492 800 HZ1 LYS 105 1HZ LYS 105 -0.170 1.106 -6.591 801 HZ2 LYS 105 2HZ LYS 105 -0.864 1.899 -5.268 802 HZ3 LYS 105 3HZ LYS 105 -1.665 0.594 -5.987 803 H TYR 106 H TYR 106 -3.729 -5.099 -4.104 804 HA TYR 106 HA TYR 106 -5.642 -5.025 -6.056 805 HB2 TYR 106 1HB TYR 106 -5.799 -5.335 -3.440 806 HB3 TYR 106 2HB TYR 106 -6.231 -3.629 -3.477 807 HD1 TYR 106 2HD TYR 106 -7.099 -6.563 -5.632 808 HD2 TYR 106 1HD TYR 106 -8.502 -3.352 -3.218 809 HE1 TYR 106 2HE TYR 106 -9.418 -7.168 -6.185 810 HE2 TYR 106 1HE TYR 106 -10.825 -3.949 -3.764 811 HH TYR 106 HH TYR 106 -11.915 -6.499 -4.626 812 H GLY 107 H GLY 107 -5.819 -3.577 -7.642 813 HA2 GLY 107 1HA GLY 107 -6.893 -1.327 -7.982 814 HA3 GLY 107 2HA GLY 107 -5.622 -0.716 -6.933 815 H THR 108 H THR 108 -3.565 -2.435 -8.068 816 HA THR 108 HA THR 108 -3.333 -1.286 -10.769 817 HB THR 108 HB THR 108 -0.898 -0.947 -10.344 818 HG1 THR 108 1HG THR 108 -0.936 -2.408 -8.439 819 HG21 THR 108 1HG2 THR 108 -2.778 0.564 -8.525 820 HG22 THR 108 2HG2 THR 108 -2.427 0.943 -10.211 821 HG23 THR 108 3HG2 THR 108 -1.163 1.096 -8.991 822 HA PRO 109 HA PRO 109 -2.213 -5.328 -12.082 823 HB2 PRO 109 1HB PRO 109 -0.662 -4.727 -14.228 824 HB3 PRO 109 2HB PRO 109 -2.419 -4.541 -14.231 825 HG2 PRO 109 1HG PRO 109 -0.296 -2.471 -13.817 826 HG3 PRO 109 2HG PRO 109 -1.781 -2.373 -14.781 827 HD2 PRO 109 1HD PRO 109 -1.574 -1.286 -12.310 828 HD3 PRO 109 2HD PRO 109 -3.099 -1.944 -12.939 829 H GLN 110 H GLN 110 -0.064 -3.235 -10.651 830 HA GLN 110 HA GLN 110 2.397 -4.586 -11.178 831 HB2 GLN 110 1HB GLN 110 1.501 -2.476 -9.254 832 HB3 GLN 110 2HB GLN 110 3.045 -3.277 -8.995 833 HG2 GLN 110 1HG GLN 110 3.965 -2.419 -10.938 834 HG3 GLN 110 2HG GLN 110 2.389 -2.085 -11.654 835 HE21 GLN 110 1HE2 GLN 110 3.607 -1.275 -8.442 836 HE22 GLN 110 2HE2 GLN 110 3.466 0.437 -8.624 837 H LYS 111 H LYS 111 2.888 -6.545 -10.474 838 HA LYS 111 HA LYS 111 2.151 -7.299 -7.738 839 HB2 LYS 111 1HB LYS 111 1.488 -9.537 -8.467 840 HB3 LYS 111 2HB LYS 111 0.476 -8.309 -9.215 841 HG2 LYS 111 1HG LYS 111 0.882 -9.608 -11.029 842 HG3 LYS 111 2HG LYS 111 2.269 -8.523 -11.146 843 HD2 LYS 111 1HD LYS 111 3.298 -10.566 -11.373 844 HD3 LYS 111 2HD LYS 111 3.415 -10.330 -9.628 845 HE2 LYS 111 1HE LYS 111 2.676 -12.595 -10.174 846 HE3 LYS 111 2HE LYS 111 1.430 -11.707 -9.299 847 HZ1 LYS 111 1HZ LYS 111 0.990 -11.252 -11.998 848 HZ2 LYS 111 2HZ LYS 111 0.049 -12.181 -10.944 849 HZ3 LYS 111 3HZ LYS 111 1.280 -12.912 -11.845 850 H LEU 112 H LEU 112 3.575 -8.718 -6.721 851 HA LEU 112 HA LEU 112 6.128 -9.113 -8.134 852 HB2 LEU 112 1HB LEU 112 5.717 -9.014 -5.155 853 HB3 LEU 112 2HB LEU 112 7.246 -8.979 -6.032 854 HG LEU 112 HG LEU 112 5.175 -6.787 -5.933 855 HD11 LEU 112 1HD1 LEU 112 7.849 -7.202 -4.651 856 HD12 LEU 112 2HD1 LEU 112 6.327 -6.698 -3.918 857 HD13 LEU 112 3HD1 LEU 112 7.222 -5.580 -4.947 858 HD21 LEU 112 1HD2 LEU 112 7.870 -6.625 -7.245 859 HD22 LEU 112 2HD2 LEU 112 6.500 -5.524 -7.392 860 HD23 LEU 112 3HD2 LEU 112 6.430 -7.122 -8.135 861 H VAL 113 H VAL 113 6.606 -11.136 -8.641 862 HA VAL 113 HA VAL 113 5.126 -13.334 -7.474 863 HB VAL 113 HB VAL 113 7.391 -13.854 -9.323 864 HG11 VAL 113 1HG1 VAL 113 4.818 -15.038 -8.569 865 HG12 VAL 113 2HG1 VAL 113 5.184 -15.115 -10.293 866 HG13 VAL 113 3HG1 VAL 113 6.305 -15.808 -9.121 867 HG21 VAL 113 1HG2 VAL 113 5.832 -13.278 -11.251 868 HG22 VAL 113 2HG2 VAL 113 4.917 -12.326 -10.083 869 HG23 VAL 113 3HG2 VAL 113 6.601 -11.927 -10.419 870 H GLU 114 H GLU 114 6.533 -15.406 -7.085 871 HA GLU 114 HA GLU 114 7.749 -15.380 -4.725 872 HB2 GLU 114 1HB GLU 114 9.043 -16.942 -6.949 873 HB3 GLU 114 2HB GLU 114 8.868 -17.392 -5.258 874 HG2 GLU 114 1HG GLU 114 6.366 -17.418 -5.680 875 HG3 GLU 114 2HG GLU 114 6.765 -17.337 -7.395 876 H SER 115 H SER 115 9.669 -15.037 -7.715 877 HA SER 115 HA SER 115 12.088 -14.405 -6.486 878 HB2 SER 115 1HB SER 115 12.138 -14.986 -8.790 879 HB3 SER 115 2HB SER 115 10.986 -13.719 -9.211 880 HG SER 115 HG SER 115 13.689 -13.442 -8.425 881 H GLU 116 H GLU 116 9.465 -12.291 -7.574 882 HA GLU 116 HA GLU 116 10.847 -9.893 -6.783 883 HB2 GLU 116 1HB GLU 116 7.939 -10.279 -7.516 884 HB3 GLU 116 2HB GLU 116 8.785 -8.742 -7.401 885 HG2 GLU 116 1HG GLU 116 10.326 -9.621 -9.212 886 HG3 GLU 116 2HG GLU 116 9.152 -10.917 -9.434 887 H CYS 117 H CYS 117 9.259 -12.284 -5.107 888 HA CYS 117 HA CYS 117 8.154 -10.520 -3.064 889 HB2 CYS 117 1HB CYS 117 8.010 -13.470 -3.598 890 HB3 CYS 117 2HB CYS 117 7.599 -12.841 -2.007 891 HG CYS 117 HG CYS 117 5.924 -12.542 -4.925 892 H CYS 118 H CYS 118 11.087 -11.926 -3.781 893 HA CYS 118 HA CYS 118 11.881 -12.012 -0.946 894 HB2 CYS 118 1HB CYS 118 12.240 -14.153 -1.976 895 HB3 CYS 118 2HB CYS 118 13.042 -13.414 -3.357 896 HG CYS 118 HG CYS 118 14.644 -14.850 -1.233 897 H GLN 119 H GLN 119 12.084 -10.191 -3.736 898 HA GLN 119 HA GLN 119 14.724 -9.098 -3.118 899 HB2 GLN 119 1HB GLN 119 12.895 -8.982 -5.472 900 HB3 GLN 119 2HB GLN 119 14.031 -7.661 -5.234 901 HG2 GLN 119 1HG GLN 119 14.675 -9.709 -6.704 902 HG3 GLN 119 2HG GLN 119 15.861 -8.973 -5.628 903 HE21 GLN 119 1HE2 GLN 119 14.095 -11.783 -6.406 904 HE22 GLN 119 2HE2 GLN 119 14.711 -12.799 -5.152 905 H SER 120 H SER 120 14.333 -7.942 -1.238 906 HA SER 120 HA SER 120 12.259 -6.341 -0.534 907 HB2 SER 120 1HB SER 120 14.250 -4.814 0.427 908 HB3 SER 120 2HB SER 120 13.818 -6.368 1.139 909 HG SER 120 HG SER 120 15.701 -6.234 -0.948 910 H SER 121 H SER 121 15.026 -5.346 -2.533 911 HA SER 121 HA SER 121 14.623 -2.724 -2.945 912 HB2 SER 121 1HB SER 121 16.288 -4.282 -4.117 913 HB3 SER 121 2HB SER 121 15.024 -4.542 -5.318 914 HG SER 121 HG SER 121 15.694 -1.916 -4.621 915 H LEU 122 H LEU 122 12.726 -5.307 -4.445 916 HA LEU 122 HA LEU 122 11.068 -3.481 -5.919 917 HB2 LEU 122 1HB LEU 122 10.782 -6.425 -5.342 918 HB3 LEU 122 2HB LEU 122 9.726 -5.510 -6.417 919 HG LEU 122 HG LEU 122 12.679 -5.640 -6.916 920 HD11 LEU 122 1HD1 LEU 122 11.058 -7.518 -8.447 921 HD12 LEU 122 2HD1 LEU 122 11.173 -7.920 -6.734 922 HD13 LEU 122 3HD1 LEU 122 12.639 -7.731 -7.696 923 HD21 LEU 122 1HD2 LEU 122 11.195 -4.016 -8.113 924 HD22 LEU 122 2HD2 LEU 122 10.351 -5.398 -8.812 925 HD23 LEU 122 3HD2 LEU 122 12.060 -5.139 -9.162 926 H VAL 123 H VAL 123 10.594 -5.579 -3.085 927 HA VAL 123 HA VAL 123 7.971 -5.090 -2.494 928 HB VAL 123 HB VAL 123 10.261 -5.310 -0.538 929 HG11 VAL 123 1HG1 VAL 123 7.375 -5.883 0.062 930 HG12 VAL 123 2HG1 VAL 123 8.720 -5.691 1.188 931 HG13 VAL 123 3HG1 VAL 123 8.084 -4.290 0.325 932 HG21 VAL 123 1HG2 VAL 123 9.763 -7.635 -0.442 933 HG22 VAL 123 2HG2 VAL 123 8.304 -7.428 -1.410 934 HG23 VAL 123 3HG2 VAL 123 9.890 -7.205 -2.148 935 H GLU 124 H GLU 124 10.751 -3.099 -1.515 936 HA GLU 124 HA GLU 124 9.158 -1.133 -0.205 937 HB2 GLU 124 1HB GLU 124 11.180 0.119 0.038 938 HB3 GLU 124 2HB GLU 124 11.579 -1.577 0.271 939 HG2 GLU 124 1HG GLU 124 12.577 -1.730 -1.870 940 HG3 GLU 124 2HG GLU 124 11.944 -0.157 -2.350 941 H MET 125 H MET 125 9.846 -1.785 -3.466 942 HA MET 125 HA MET 125 9.533 0.937 -4.393 943 HB2 MET 125 1HB MET 125 10.962 -0.861 -5.509 944 HB3 MET 125 2HB MET 125 9.453 -1.555 -6.087 945 HG2 MET 125 1HG MET 125 9.008 0.827 -7.007 946 HG3 MET 125 2HG MET 125 10.748 1.031 -6.819 947 HE1 MET 125 1HE MET 125 7.860 -0.807 -8.437 948 HE2 MET 125 2HE MET 125 8.580 -1.796 -9.706 949 HE3 MET 125 3HE MET 125 8.707 -2.297 -8.019 950 H ILE 126 H ILE 126 7.719 -2.089 -4.948 951 HA ILE 126 HA ILE 126 5.506 -1.060 -6.196 952 HB ILE 126 HB ILE 126 5.945 -3.483 -5.796 953 HG12 ILE 126 1HG1 ILE 126 3.178 -2.865 -4.815 954 HG13 ILE 126 2HG1 ILE 126 3.667 -2.361 -6.429 955 HG21 ILE 126 1HG2 ILE 126 4.954 -4.416 -3.663 956 HG22 ILE 126 2HG2 ILE 126 6.491 -3.568 -3.502 957 HG23 ILE 126 3HG2 ILE 126 4.990 -2.768 -3.037 958 HD11 ILE 126 1HD1 ILE 126 2.664 -4.404 -6.799 959 HD12 ILE 126 2HD1 ILE 126 4.375 -4.825 -6.724 960 HD13 ILE 126 3HD1 ILE 126 3.333 -5.116 -5.331 961 H PHE 127 H PHE 127 6.349 -0.884 -2.818 962 HA PHE 127 HA PHE 127 3.744 0.020 -1.978 963 HB2 PHE 127 1HB PHE 127 6.413 -0.142 -0.575 964 HB3 PHE 127 2HB PHE 127 4.962 0.492 0.195 965 HD1 PHE 127 2HD PHE 127 2.890 -1.327 -0.738 966 HD2 PHE 127 1HD PHE 127 6.888 -2.138 0.479 967 HE1 PHE 127 2HE PHE 127 2.230 -3.610 -0.102 968 HE2 PHE 127 1HE PHE 127 6.234 -4.423 1.115 969 HZ PHE 127 HZ PHE 127 3.902 -5.161 0.826 970 H SER 128 H SER 128 6.958 1.508 -2.323 971 HA SER 128 HA SER 128 6.175 4.116 -1.625 972 HB2 SER 128 1HB SER 128 8.547 3.183 -1.818 973 HB3 SER 128 2HB SER 128 8.404 3.463 -3.553 974 HG SER 128 HG SER 128 8.364 5.601 -3.225 975 H GLU 129 H GLU 129 6.811 2.774 -4.872 976 HA GLU 129 HA GLU 129 6.179 4.800 -6.504 977 HB2 GLU 129 1HB GLU 129 6.726 2.523 -7.278 978 HB3 GLU 129 2HB GLU 129 5.111 1.991 -6.832 979 HG2 GLU 129 1HG GLU 129 4.787 2.346 -9.047 980 HG3 GLU 129 2HG GLU 129 4.397 3.954 -8.440 981 H ASP 130 H ASP 130 4.564 6.187 -6.734 982 HA ASP 130 HA ASP 130 2.317 6.357 -5.200 983 HB2 ASP 130 1HB ASP 130 1.603 8.066 -6.589 984 HB3 ASP 130 2HB ASP 130 3.317 7.990 -6.990 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -4.775 15.748 8.863 2 HA2 GLY 1 1HA GLY 1 -7.218 15.989 7.234 3 HA3 GLY 1 2HA GLY 1 -6.949 17.083 8.583 4 H SER 2 H SER 2 -7.101 18.798 7.007 5 HA SER 2 HA SER 2 -5.489 19.124 4.780 6 HB2 SER 2 1HB SER 2 -5.822 21.582 5.134 7 HB3 SER 2 2HB SER 2 -7.315 20.646 5.211 8 HG SER 2 HG SER 2 -6.801 22.300 6.937 9 H GLU 3 H GLU 3 -4.872 20.408 8.052 10 HA GLU 3 HA GLU 3 -2.248 21.289 7.456 11 HB2 GLU 3 1HB GLU 3 -2.108 21.124 10.095 12 HB3 GLU 3 2HB GLU 3 -3.048 22.380 9.302 13 HG2 GLU 3 1HG GLU 3 -4.404 19.825 9.963 14 HG3 GLU 3 2HG GLU 3 -4.030 20.939 11.276 15 H GLY 4 H GLY 4 -1.079 19.621 6.514 16 HA2 GLY 4 1HA GLY 4 -0.648 17.208 8.139 17 HA3 GLY 4 2HA GLY 4 -0.280 17.368 6.428 18 H ALA 5 H ALA 5 1.257 16.723 9.051 19 HA ALA 5 HA ALA 5 3.742 17.806 8.165 20 HB1 ALA 5 1HB ALA 5 2.355 19.070 10.479 21 HB2 ALA 5 2HB ALA 5 4.110 18.904 10.520 22 HB3 ALA 5 3HB ALA 5 3.340 19.805 9.214 23 H ALA 6 H ALA 6 5.446 16.634 8.922 24 HA ALA 6 HA ALA 6 6.474 14.770 9.755 25 HB1 ALA 6 1HB ALA 6 5.340 16.266 12.007 26 HB2 ALA 6 2HB ALA 6 5.761 14.592 12.371 27 HB3 ALA 6 3HB ALA 6 6.985 15.692 11.736 28 H THR 7 H THR 7 4.018 14.207 8.451 29 HA THR 7 HA THR 7 2.617 12.255 10.077 30 HB THR 7 HB THR 7 1.208 11.899 8.091 31 HG1 THR 7 1HG THR 7 2.581 13.990 6.781 32 HG21 THR 7 1HG2 THR 7 0.788 14.597 7.835 33 HG22 THR 7 2HG2 THR 7 1.613 14.489 9.390 34 HG23 THR 7 3HG2 THR 7 0.127 13.580 9.114 35 H MET 8 H MET 8 2.465 10.030 9.580 36 HA MET 8 HA MET 8 4.533 8.982 7.774 37 HB2 MET 8 1HB MET 8 3.990 8.081 10.606 38 HB3 MET 8 2HB MET 8 4.975 7.179 9.461 39 HG2 MET 8 1HG MET 8 6.677 8.736 9.493 40 HG3 MET 8 2HG MET 8 5.621 10.029 10.059 41 HE1 MET 8 1HE MET 8 5.658 6.406 11.565 42 HE2 MET 8 2HE MET 8 7.332 6.629 11.055 43 HE3 MET 8 3HE MET 8 6.938 6.535 12.772 44 H ALA 9 H ALA 9 3.989 7.162 6.643 45 HA ALA 9 HA ALA 9 1.317 6.614 6.124 46 HB1 ALA 9 1HB ALA 9 3.706 5.871 5.019 47 HB2 ALA 9 2HB ALA 9 3.089 4.342 5.647 48 HB3 ALA 9 3HB ALA 9 2.120 5.285 4.515 49 H THR 10 H THR 10 0.327 4.358 6.330 50 HA THR 10 HA THR 10 0.936 3.097 8.901 51 HB THR 10 HB THR 10 -1.485 3.027 9.481 52 HG1 THR 10 1HG THR 10 -1.621 4.511 7.104 53 HG21 THR 10 1HG2 THR 10 -1.170 4.844 10.748 54 HG22 THR 10 2HG2 THR 10 -1.136 5.907 9.341 55 HG23 THR 10 3HG2 THR 10 0.334 5.085 9.861 56 H PHE 11 H PHE 11 0.755 0.933 8.861 57 HA PHE 11 HA PHE 11 -0.734 -0.304 6.648 58 HB2 PHE 11 1HB PHE 11 1.017 -1.713 6.054 59 HB3 PHE 11 2HB PHE 11 1.863 -0.211 6.412 60 HD1 PHE 11 1HD PHE 11 1.188 -3.625 7.527 61 HD2 PHE 11 2HD PHE 11 3.266 -0.006 8.364 62 HE1 PHE 11 1HE PHE 11 2.588 -4.812 9.166 63 HE2 PHE 11 2HE PHE 11 4.670 -1.187 10.003 64 HZ PHE 11 HZ PHE 11 4.332 -3.594 10.406 65 H GLU 12 H GLU 12 -1.859 -2.135 7.140 66 HA GLU 12 HA GLU 12 -1.657 -3.111 9.913 67 HB2 GLU 12 1HB GLU 12 -3.695 -1.868 9.757 68 HB3 GLU 12 2HB GLU 12 -4.120 -2.639 8.235 69 HG2 GLU 12 1HG GLU 12 -5.472 -3.578 9.954 70 HG3 GLU 12 2HG GLU 12 -4.306 -4.797 9.444 71 H GLU 13 H GLU 13 -1.568 -5.272 10.214 72 HA GLU 13 HA GLU 13 -1.445 -6.931 7.805 73 HB2 GLU 13 1HB GLU 13 0.357 -6.787 9.732 74 HB3 GLU 13 2HB GLU 13 -0.702 -7.954 10.511 75 HG2 GLU 13 1HG GLU 13 0.931 -8.235 8.037 76 HG3 GLU 13 2HG GLU 13 0.797 -9.312 9.425 77 H VAL 14 H VAL 14 -3.169 -8.077 7.266 78 HA VAL 14 HA VAL 14 -4.985 -8.986 9.404 79 HB VAL 14 HB VAL 14 -5.645 -8.338 6.528 80 HG11 VAL 14 1HG1 VAL 14 -6.905 -10.272 7.494 81 HG12 VAL 14 2HG1 VAL 14 -7.537 -9.171 8.720 82 HG13 VAL 14 3HG1 VAL 14 -7.911 -8.904 7.016 83 HG21 VAL 14 1HG2 VAL 14 -6.239 -6.950 9.130 84 HG22 VAL 14 2HG2 VAL 14 -5.386 -6.311 7.725 85 HG23 VAL 14 3HG2 VAL 14 -7.122 -6.615 7.640 86 H SER 15 H SER 15 -4.827 -11.090 9.771 87 HA SER 15 HA SER 15 -3.768 -12.869 7.736 88 HB2 SER 15 1HB SER 15 -2.901 -13.198 9.950 89 HB3 SER 15 2HB SER 15 -4.524 -13.294 10.633 90 HG SER 15 HG SER 15 -3.512 -15.123 8.716 91 H VAL 16 H VAL 16 -5.090 -13.718 6.279 92 HA VAL 16 HA VAL 16 -7.750 -14.627 7.156 93 HB VAL 16 HB VAL 16 -8.666 -14.022 4.960 94 HG11 VAL 16 1HG1 VAL 16 -7.444 -11.486 5.902 95 HG12 VAL 16 2HG1 VAL 16 -9.128 -11.867 5.541 96 HG13 VAL 16 3HG1 VAL 16 -8.403 -12.417 7.052 97 HG21 VAL 16 1HG2 VAL 16 -6.872 -14.072 3.473 98 HG22 VAL 16 2HG2 VAL 16 -7.238 -12.352 3.616 99 HG23 VAL 16 3HG2 VAL 16 -5.872 -13.039 4.494 100 H LEU 17 H LEU 17 -8.624 -16.417 5.974 101 HA LEU 17 HA LEU 17 -6.659 -17.937 4.404 102 HB2 LEU 17 1HB LEU 17 -6.533 -18.983 6.495 103 HB3 LEU 17 2HB LEU 17 -8.271 -18.851 6.761 104 HG LEU 17 HG LEU 17 -8.722 -20.636 5.262 105 HD11 LEU 17 1HD1 LEU 17 -7.113 -21.681 3.854 106 HD12 LEU 17 2HD1 LEU 17 -5.795 -20.754 4.569 107 HD13 LEU 17 3HD1 LEU 17 -7.006 -19.942 3.577 108 HD21 LEU 17 1HD2 LEU 17 -7.895 -22.388 6.485 109 HD22 LEU 17 2HD2 LEU 17 -7.580 -21.051 7.592 110 HD23 LEU 17 3HD2 LEU 17 -6.276 -21.695 6.592 111 H GLY 18 H GLY 18 -7.502 -18.073 2.427 112 HA2 GLY 18 1HA GLY 18 -9.093 -19.327 1.064 113 HA3 GLY 18 2HA GLY 18 -10.343 -18.845 2.200 114 H PHE 19 H PHE 19 -11.208 -18.308 -0.093 115 HA PHE 19 HA PHE 19 -10.264 -15.730 -1.068 116 HB2 PHE 19 1HB PHE 19 -10.812 -17.533 -2.679 117 HB3 PHE 19 2HB PHE 19 -12.482 -17.498 -2.122 118 HD1 PHE 19 2HD PHE 19 -13.568 -15.067 -2.188 119 HD2 PHE 19 1HD PHE 19 -10.300 -16.371 -4.583 120 HE1 PHE 19 2HE PHE 19 -14.080 -13.313 -3.835 121 HE2 PHE 19 1HE PHE 19 -10.806 -14.618 -6.234 122 HZ PHE 19 HZ PHE 19 -12.699 -13.087 -5.862 123 H GLU 20 H GLU 20 -13.067 -17.167 0.499 124 HA GLU 20 HA GLU 20 -14.859 -15.047 0.300 125 HB2 GLU 20 1HB GLU 20 -14.482 -17.235 2.317 126 HB3 GLU 20 2HB GLU 20 -15.695 -15.991 2.580 127 HG2 GLU 20 1HG GLU 20 -16.438 -16.622 0.156 128 HG3 GLU 20 2HG GLU 20 -15.585 -18.124 0.507 129 H GLU 21 H GLU 21 -12.918 -15.823 3.194 130 HA GLU 21 HA GLU 21 -13.367 -13.461 4.563 131 HB2 GLU 21 1HB GLU 21 -11.081 -15.410 4.594 132 HB3 GLU 21 2HB GLU 21 -11.056 -13.977 5.610 133 HG2 GLU 21 1HG GLU 21 -13.452 -15.731 5.693 134 HG3 GLU 21 2HG GLU 21 -11.977 -16.271 6.493 135 H PHE 22 H PHE 22 -10.687 -14.242 2.360 136 HA PHE 22 HA PHE 22 -9.201 -11.946 2.537 137 HB2 PHE 22 1HB PHE 22 -8.300 -13.622 1.176 138 HB3 PHE 22 2HB PHE 22 -9.779 -13.787 0.237 139 HD1 PHE 22 2HD PHE 22 -7.963 -10.667 1.072 140 HD2 PHE 22 1HD PHE 22 -9.024 -13.472 -1.948 141 HE1 PHE 22 2HE PHE 22 -7.036 -9.166 -0.643 142 HE2 PHE 22 1HE PHE 22 -8.098 -11.976 -3.668 143 HZ PHE 22 HZ PHE 22 -7.103 -9.820 -3.017 144 H ASP 23 H ASP 23 -12.004 -12.501 0.422 145 HA ASP 23 HA ASP 23 -12.013 -9.962 -0.783 146 HB2 ASP 23 1HB ASP 23 -13.338 -12.149 -1.360 147 HB3 ASP 23 2HB ASP 23 -14.559 -11.465 -0.292 148 H LYS 24 H LYS 24 -13.792 -11.202 2.033 149 HA LYS 24 HA LYS 24 -15.324 -8.991 2.636 150 HB2 LYS 24 1HB LYS 24 -15.412 -11.206 3.791 151 HB3 LYS 24 2HB LYS 24 -13.947 -10.766 4.658 152 HG2 LYS 24 1HG LYS 24 -15.021 -9.189 5.948 153 HG3 LYS 24 2HG LYS 24 -16.330 -8.976 4.783 154 HD2 LYS 24 1HD LYS 24 -17.158 -11.228 5.336 155 HD3 LYS 24 2HD LYS 24 -15.872 -11.392 6.534 156 HE2 LYS 24 1HE LYS 24 -17.670 -9.025 6.689 157 HE3 LYS 24 2HE LYS 24 -18.297 -10.589 7.206 158 HZ1 LYS 24 1HZ LYS 24 -15.677 -9.935 8.237 159 HZ2 LYS 24 2HZ LYS 24 -17.021 -10.586 9.030 160 HZ3 LYS 24 3HZ LYS 24 -16.915 -8.916 8.778 161 H ALA 25 H ALA 25 -12.032 -9.701 3.794 162 HA ALA 25 HA ALA 25 -11.686 -7.347 5.277 163 HB1 ALA 25 1HB ALA 25 -9.301 -8.489 3.962 164 HB2 ALA 25 2HB ALA 25 -9.582 -8.084 5.656 165 HB3 ALA 25 3HB ALA 25 -10.235 -9.579 4.986 166 H VAL 26 H VAL 26 -11.069 -8.077 1.879 167 HA VAL 26 HA VAL 26 -9.704 -5.708 1.221 168 HB VAL 26 HB VAL 26 -11.402 -7.518 -0.498 169 HG11 VAL 26 1HG1 VAL 26 -9.452 -6.042 -1.978 170 HG12 VAL 26 2HG1 VAL 26 -11.203 -6.095 -2.191 171 HG13 VAL 26 3HG1 VAL 26 -10.482 -4.921 -1.089 172 HG21 VAL 26 1HG2 VAL 26 -9.023 -8.058 0.691 173 HG22 VAL 26 2HG2 VAL 26 -9.573 -8.789 -0.817 174 HG23 VAL 26 3HG2 VAL 26 -8.489 -7.398 -0.855 175 H LYS 27 H LYS 27 -13.063 -6.529 0.342 176 HA LYS 27 HA LYS 27 -13.888 -4.041 -0.476 177 HB2 LYS 27 1HB LYS 27 -15.361 -6.313 0.824 178 HB3 LYS 27 2HB LYS 27 -16.202 -4.827 0.403 179 HG2 LYS 27 1HG LYS 27 -14.573 -6.299 -1.631 180 HG3 LYS 27 2HG LYS 27 -16.232 -6.778 -1.265 181 HD2 LYS 27 1HD LYS 27 -17.004 -4.521 -1.814 182 HD3 LYS 27 2HD LYS 27 -15.344 -4.040 -2.174 183 HE2 LYS 27 1HE LYS 27 -16.068 -4.534 -4.282 184 HE3 LYS 27 2HE LYS 27 -15.469 -6.119 -3.797 185 HZ1 LYS 27 1HZ LYS 27 -18.292 -5.202 -3.742 186 HZ2 LYS 27 2HZ LYS 27 -17.758 -6.687 -3.136 187 HZ3 LYS 27 3HZ LYS 27 -17.623 -6.351 -4.788 188 H GLU 28 H GLU 28 -13.184 -5.092 2.721 189 HA GLU 28 HA GLU 28 -14.712 -3.070 4.071 190 HB2 GLU 28 1HB GLU 28 -12.751 -5.164 4.868 191 HB3 GLU 28 2HB GLU 28 -12.989 -3.810 5.963 192 HG2 GLU 28 1HG GLU 28 -15.276 -5.437 4.904 193 HG3 GLU 28 2HG GLU 28 -14.391 -5.880 6.362 194 H HIS 29 H HIS 29 -11.363 -3.466 3.042 195 HA HIS 29 HA HIS 29 -10.746 -0.772 4.032 196 HB2 HIS 29 1HB HIS 29 -8.764 -2.753 2.919 197 HB3 HIS 29 2HB HIS 29 -8.446 -1.354 3.940 198 HD1 HIS 29 1HD HIS 29 -9.812 -1.635 6.411 199 HD2 HIS 29 2HD HIS 29 -8.646 -5.039 4.335 200 HE1 HIS 29 1HE HIS 29 -9.770 -3.482 8.118 201 HE2 HIS 29 2HE HIS 29 -8.980 -5.513 6.856 202 H GLU 30 H GLU 30 -12.083 -1.919 1.399 203 HA GLU 30 HA GLU 30 -10.631 -1.326 -0.833 204 HB2 GLU 30 1HB GLU 30 -12.722 -0.842 -1.965 205 HB3 GLU 30 2HB GLU 30 -12.940 -2.192 -0.861 206 HG2 GLU 30 1HG GLU 30 -14.814 -1.010 -0.384 207 HG3 GLU 30 2HG GLU 30 -13.709 -0.281 0.780 208 H SER 31 H SER 31 -11.993 0.911 1.473 209 HA SER 31 HA SER 31 -11.903 3.274 -0.003 210 HB2 SER 31 1HB SER 31 -11.682 2.667 2.930 211 HB3 SER 31 2HB SER 31 -11.479 4.319 2.347 212 HG SER 31 HG SER 31 -13.720 2.705 1.714 213 H LYS 32 H LYS 32 -9.382 1.651 1.869 214 HA LYS 32 HA LYS 32 -7.426 3.578 0.802 215 HB2 LYS 32 1HB LYS 32 -7.128 1.773 3.209 216 HB3 LYS 32 2HB LYS 32 -5.994 3.009 2.679 217 HG2 LYS 32 1HG LYS 32 -7.061 4.143 4.335 218 HG3 LYS 32 2HG LYS 32 -8.094 4.574 2.970 219 HD2 LYS 32 1HD LYS 32 -9.655 2.803 3.577 220 HD3 LYS 32 2HD LYS 32 -8.610 2.324 4.916 221 HE2 LYS 32 1HE LYS 32 -8.977 4.414 6.029 222 HE3 LYS 32 2HE LYS 32 -9.838 5.062 4.633 223 HZ1 LYS 32 1HZ LYS 32 -11.457 4.418 6.204 224 HZ2 LYS 32 2HZ LYS 32 -10.729 2.914 6.470 225 HZ3 LYS 32 3HZ LYS 32 -11.492 3.235 4.995 226 H THR 33 H THR 33 -5.269 2.688 0.312 227 HA THR 33 HA THR 33 -5.321 0.697 -1.586 228 HB THR 33 HB THR 33 -2.950 1.441 0.138 229 HG1 THR 33 1HG THR 33 -2.542 2.771 -1.838 230 HG21 THR 33 1HG2 THR 33 -3.269 -0.194 -2.332 231 HG22 THR 33 2HG2 THR 33 -2.173 -0.413 -0.967 232 HG23 THR 33 3HG2 THR 33 -1.837 0.823 -2.179 233 H ILE 34 H ILE 34 -4.988 -1.485 -1.635 234 HA ILE 34 HA ILE 34 -4.668 -2.849 0.956 235 HB ILE 34 HB ILE 34 -6.499 -3.679 -1.298 236 HG12 ILE 34 1HG1 ILE 34 -7.194 -2.927 1.545 237 HG13 ILE 34 2HG1 ILE 34 -7.266 -1.796 0.199 238 HG21 ILE 34 1HG2 ILE 34 -5.307 -5.166 0.902 239 HG22 ILE 34 2HG2 ILE 34 -7.067 -5.260 0.879 240 HG23 ILE 34 3HG2 ILE 34 -6.140 -5.748 -0.540 241 HD11 ILE 34 1HD1 ILE 34 -9.355 -3.239 1.057 242 HD12 ILE 34 2HD1 ILE 34 -9.170 -2.675 -0.604 243 HD13 ILE 34 3HD1 ILE 34 -8.718 -4.326 -0.177 244 H PHE 35 H PHE 35 -3.426 -4.697 0.980 245 HA PHE 35 HA PHE 35 -2.158 -5.478 -1.557 246 HB2 PHE 35 1HB PHE 35 -0.862 -4.744 1.046 247 HB3 PHE 35 2HB PHE 35 -0.083 -5.909 -0.020 248 HD1 PHE 35 2HD PHE 35 0.444 -5.201 -2.391 249 HD2 PHE 35 1HD PHE 35 -0.681 -2.451 0.657 250 HE1 PHE 35 2HE PHE 35 1.405 -3.356 -3.704 251 HE2 PHE 35 1HE PHE 35 0.277 -0.602 -0.652 252 HZ PHE 35 HZ PHE 35 1.324 -1.053 -2.835 253 H ALA 36 H ALA 36 -2.819 -7.485 -1.945 254 HA ALA 36 HA ALA 36 -3.277 -9.323 0.284 255 HB1 ALA 36 1HB ALA 36 -4.148 -9.246 -2.569 256 HB2 ALA 36 2HB ALA 36 -4.136 -10.782 -1.701 257 HB3 ALA 36 3HB ALA 36 -5.110 -9.439 -1.103 258 H TYR 37 H TYR 37 -1.853 -10.840 0.815 259 HA TYR 37 HA TYR 37 0.300 -11.463 -1.094 260 HB2 TYR 37 1HB TYR 37 0.985 -10.427 1.069 261 HB3 TYR 37 2HB TYR 37 0.312 -11.819 1.910 262 HD1 TYR 37 1HD TYR 37 2.558 -11.322 -1.045 263 HD2 TYR 37 2HD TYR 37 1.922 -13.265 2.686 264 HE1 TYR 37 1HE TYR 37 4.701 -12.503 -1.301 265 HE2 TYR 37 2HE TYR 37 4.063 -14.450 2.441 266 HH TYR 37 HH TYR 37 6.053 -14.066 -0.470 267 H PHE 38 H PHE 38 -0.695 -13.124 -2.211 268 HA PHE 38 HA PHE 38 -1.958 -15.318 -0.866 269 HB2 PHE 38 1HB PHE 38 -1.020 -15.217 -3.737 270 HB3 PHE 38 2HB PHE 38 -2.255 -16.270 -3.054 271 HD1 PHE 38 1HD PHE 38 -4.291 -15.041 -1.964 272 HD2 PHE 38 2HD PHE 38 -1.663 -13.294 -4.821 273 HE1 PHE 38 1HE PHE 38 -6.020 -13.387 -2.539 274 HE2 PHE 38 2HE PHE 38 -3.387 -11.638 -5.399 275 HZ PHE 38 HZ PHE 38 -5.569 -11.682 -4.257 276 H SER 39 H SER 39 -0.633 -16.463 0.439 277 HA SER 39 HA SER 39 1.674 -17.769 -0.837 278 HB2 SER 39 1HB SER 39 2.196 -15.843 0.850 279 HB3 SER 39 2HB SER 39 1.754 -17.033 2.073 280 HG SER 39 HG SER 39 3.536 -17.834 0.087 281 H GLY 40 H GLY 40 2.344 -19.777 0.275 282 HA2 GLY 40 1HA GLY 40 0.205 -21.545 0.601 283 HA3 GLY 40 2HA GLY 40 1.862 -21.868 1.087 284 H SER 41 H SER 41 -0.565 -22.690 2.422 285 HA SER 41 HA SER 41 -1.187 -21.098 4.641 286 HB2 SER 41 1HB SER 41 -2.093 -23.167 5.637 287 HB3 SER 41 2HB SER 41 -2.579 -22.993 3.951 288 HG SER 41 HG SER 41 -0.559 -24.344 3.596 289 H LYS 42 H LYS 42 -0.714 -21.691 6.939 290 HA LYS 42 HA LYS 42 2.149 -22.314 7.225 291 HB2 LYS 42 1HB LYS 42 0.374 -20.704 9.070 292 HB3 LYS 42 2HB LYS 42 2.100 -20.976 9.273 293 HG2 LYS 42 1HG LYS 42 2.584 -19.709 7.285 294 HG3 LYS 42 2HG LYS 42 0.862 -19.534 6.938 295 HD2 LYS 42 1HD LYS 42 1.895 -18.596 9.571 296 HD3 LYS 42 2HD LYS 42 2.217 -17.617 8.138 297 HE2 LYS 42 1HE LYS 42 0.191 -16.844 9.181 298 HE3 LYS 42 2HE LYS 42 -0.211 -17.618 7.649 299 HZ1 LYS 42 1HZ LYS 42 -1.156 -19.411 8.699 300 HZ2 LYS 42 2HZ LYS 42 -1.575 -18.164 9.762 301 HZ3 LYS 42 3HZ LYS 42 -0.284 -19.192 10.132 302 H ASP 43 H ASP 43 2.739 -24.041 8.373 303 HA ASP 43 HA ASP 43 0.854 -25.921 9.293 304 HB2 ASP 43 1HB ASP 43 3.395 -26.162 8.612 305 HB3 ASP 43 2HB ASP 43 3.655 -25.937 10.339 306 H THR 44 H THR 44 1.496 -26.872 11.686 307 HA THR 44 HA THR 44 0.146 -25.236 13.492 308 HB THR 44 HB THR 44 0.928 -26.762 15.256 309 HG1 THR 44 1HG THR 44 2.678 -27.634 13.196 310 HG21 THR 44 1HG2 THR 44 0.179 -28.924 14.139 311 HG22 THR 44 2HG2 THR 44 0.037 -27.985 12.653 312 HG23 THR 44 3HG2 THR 44 -0.943 -27.566 14.058 313 H GLU 45 H GLU 45 3.572 -25.518 12.791 314 HA GLU 45 HA GLU 45 4.429 -23.972 15.043 315 HB2 GLU 45 1HB GLU 45 5.744 -25.679 13.520 316 HB3 GLU 45 2HB GLU 45 6.090 -24.238 12.574 317 HG2 GLU 45 1HG GLU 45 7.906 -24.460 14.020 318 HG3 GLU 45 2HG GLU 45 6.909 -23.198 14.740 319 H GLY 46 H GLY 46 3.223 -23.253 11.900 320 HA2 GLY 46 1HA GLY 46 2.394 -21.034 11.454 321 HA3 GLY 46 2HA GLY 46 3.722 -20.394 12.411 322 H LYS 47 H LYS 47 5.172 -22.733 10.745 323 HA LYS 47 HA LYS 47 6.231 -20.872 8.793 324 HB2 LYS 47 1HB LYS 47 6.977 -23.760 9.285 325 HB3 LYS 47 2HB LYS 47 7.889 -22.593 8.337 326 HG2 LYS 47 1HG LYS 47 7.313 -21.933 11.173 327 HG3 LYS 47 2HG LYS 47 8.525 -23.171 10.832 328 HD2 LYS 47 1HD LYS 47 9.868 -21.328 10.801 329 HD3 LYS 47 2HD LYS 47 9.365 -21.334 9.109 330 HE2 LYS 47 1HE LYS 47 7.376 -19.880 10.097 331 HE3 LYS 47 2HE LYS 47 8.586 -19.516 11.326 332 HZ1 LYS 47 1HZ LYS 47 8.335 -18.223 8.978 333 HZ2 LYS 47 2HZ LYS 47 9.562 -19.331 8.621 334 HZ3 LYS 47 3HZ LYS 47 9.745 -18.255 9.913 335 H SER 48 H SER 48 6.290 -21.237 6.543 336 HA SER 48 HA SER 48 3.949 -22.662 5.554 337 HB2 SER 48 1HB SER 48 5.768 -20.556 4.448 338 HB3 SER 48 2HB SER 48 4.821 -21.543 3.334 339 HG SER 48 HG SER 48 3.048 -20.894 4.981 340 H TRP 49 H TRP 49 3.998 -24.408 4.227 341 HA TRP 49 HA TRP 49 6.075 -26.212 4.314 342 HB2 TRP 49 1HB TRP 49 4.967 -27.160 2.169 343 HB3 TRP 49 2HB TRP 49 4.019 -27.099 3.652 344 HD1 TRP 49 HD TRP 49 2.215 -25.004 3.817 345 HE1 TRP 49 1HE TRP 49 0.848 -23.887 1.944 346 HE3 TRP 49 3HE TRP 49 4.958 -26.539 -0.215 347 HZ2 TRP 49 2HZ TRP 49 0.923 -23.684 -0.871 348 HZ3 TRP 49 3HZ TRP 49 4.243 -25.840 -2.463 349 HH2 TRP 49 HH TRP 49 2.266 -24.442 -2.782 350 H CYS 50 H CYS 50 5.697 -23.457 2.261 351 HA CYS 50 HA CYS 50 7.886 -24.330 0.523 352 HB2 CYS 50 1HB CYS 50 5.708 -22.315 0.306 353 HB3 CYS 50 2HB CYS 50 7.220 -21.959 -0.522 354 HG CYS 50 HG CYS 50 6.810 -23.459 -2.565 355 HA PRO 51 HA PRO 51 10.783 -21.934 2.849 356 HB2 PRO 51 1HB PRO 51 12.806 -21.978 1.039 357 HB3 PRO 51 2HB PRO 51 12.378 -23.374 2.035 358 HG2 PRO 51 1HG PRO 51 11.650 -22.781 -0.808 359 HG3 PRO 51 2HG PRO 51 12.178 -24.312 -0.084 360 HD2 PRO 51 1HD PRO 51 9.578 -23.770 -0.612 361 HD3 PRO 51 2HD PRO 51 10.084 -24.782 0.757 362 H ASP 52 H ASP 52 10.604 -21.202 -0.642 363 HA ASP 52 HA ASP 52 11.611 -18.655 -0.647 364 HB2 ASP 52 1HB ASP 52 9.562 -20.045 -2.317 365 HB3 ASP 52 2HB ASP 52 9.785 -18.311 -2.534 366 H CYS 53 H CYS 53 8.664 -19.742 0.741 367 HA CYS 53 HA CYS 53 7.406 -17.146 0.803 368 HB2 CYS 53 1HB CYS 53 6.653 -19.617 2.372 369 HB3 CYS 53 2HB CYS 53 5.634 -18.224 2.029 370 HG CYS 53 HG CYS 53 5.309 -18.745 -0.645 371 H VAL 54 H VAL 54 9.270 -19.176 2.984 372 HA VAL 54 HA VAL 54 8.859 -17.514 5.282 373 HB VAL 54 HB VAL 54 10.797 -19.748 4.708 374 HG11 VAL 54 1HG1 VAL 54 10.630 -17.905 7.055 375 HG12 VAL 54 2HG1 VAL 54 11.132 -19.582 7.281 376 HG13 VAL 54 3HG1 VAL 54 12.052 -18.522 6.213 377 HG21 VAL 54 1HG2 VAL 54 8.137 -19.509 5.914 378 HG22 VAL 54 2HG2 VAL 54 8.927 -20.902 5.175 379 HG23 VAL 54 3HG2 VAL 54 9.279 -20.474 6.849 380 H GLU 55 H GLU 55 10.937 -17.421 2.564 381 HA GLU 55 HA GLU 55 12.860 -15.672 3.905 382 HB2 GLU 55 1HB GLU 55 14.065 -15.796 1.689 383 HB3 GLU 55 2HB GLU 55 13.917 -17.318 2.557 384 HG2 GLU 55 1HG GLU 55 12.040 -17.951 1.127 385 HG3 GLU 55 2HG GLU 55 12.197 -16.429 0.253 386 H ALA 56 H ALA 56 10.023 -15.473 2.114 387 HA ALA 56 HA ALA 56 10.671 -12.797 1.088 388 HB1 ALA 56 1HB ALA 56 8.355 -13.154 -0.052 389 HB2 ALA 56 2HB ALA 56 9.785 -13.966 -0.690 390 HB3 ALA 56 3HB ALA 56 8.646 -14.853 0.322 391 H GLU 57 H GLU 57 8.428 -14.557 3.158 392 HA GLU 57 HA GLU 57 6.494 -12.745 3.725 393 HB2 GLU 57 1HB GLU 57 7.233 -15.089 4.836 394 HB3 GLU 57 2HB GLU 57 7.716 -13.989 6.120 395 HG2 GLU 57 1HG GLU 57 4.987 -13.784 4.930 396 HG3 GLU 57 2HG GLU 57 5.343 -15.028 6.127 397 HA PRO 58 HA PRO 58 9.374 -10.488 6.907 398 HB2 PRO 58 1HB PRO 58 12.038 -10.950 6.663 399 HB3 PRO 58 2HB PRO 58 10.987 -11.917 7.704 400 HG2 PRO 58 1HG PRO 58 12.000 -12.519 4.952 401 HG3 PRO 58 2HG PRO 58 11.877 -13.592 6.359 402 HD2 PRO 58 1HD PRO 58 10.065 -13.613 4.347 403 HD3 PRO 58 2HD PRO 58 9.628 -13.972 6.030 404 H VAL 59 H VAL 59 10.705 -11.127 3.693 405 HA VAL 59 HA VAL 59 11.971 -8.627 3.341 406 HB VAL 59 HB VAL 59 10.858 -10.427 1.185 407 HG11 VAL 59 1HG1 VAL 59 12.830 -8.167 1.196 408 HG12 VAL 59 2HG1 VAL 59 12.849 -9.400 -0.066 409 HG13 VAL 59 3HG1 VAL 59 11.416 -8.399 0.169 410 HG21 VAL 59 1HG2 VAL 59 12.434 -11.485 2.897 411 HG22 VAL 59 2HG2 VAL 59 12.864 -11.639 1.194 412 HG23 VAL 59 3HG2 VAL 59 13.682 -10.448 2.206 413 H ILE 60 H ILE 60 8.689 -9.734 2.836 414 HA ILE 60 HA ILE 60 7.906 -7.310 1.455 415 HB ILE 60 HB ILE 60 6.186 -9.570 2.483 416 HG12 ILE 60 1HG1 ILE 60 7.492 -9.062 -0.189 417 HG13 ILE 60 2HG1 ILE 60 7.647 -10.481 0.842 418 HG21 ILE 60 1HG2 ILE 60 5.146 -7.268 2.051 419 HG22 ILE 60 2HG2 ILE 60 5.454 -7.597 0.347 420 HG23 ILE 60 3HG2 ILE 60 4.402 -8.665 1.275 421 HD11 ILE 60 1HD1 ILE 60 5.547 -9.759 -1.091 422 HD12 ILE 60 2HD1 ILE 60 6.194 -11.338 -0.645 423 HD13 ILE 60 3HD1 ILE 60 5.010 -10.544 0.393 424 H ARG 61 H ARG 61 7.698 -8.689 4.669 425 HA ARG 61 HA ARG 61 5.809 -6.856 5.719 426 HB2 ARG 61 1HB ARG 61 7.743 -8.815 6.862 427 HB3 ARG 61 2HB ARG 61 7.078 -7.590 7.934 428 HG2 ARG 61 1HG ARG 61 5.232 -9.189 6.227 429 HG3 ARG 61 2HG ARG 61 5.915 -9.909 7.686 430 HD2 ARG 61 1HD ARG 61 4.720 -7.193 7.879 431 HD3 ARG 61 2HD ARG 61 3.632 -8.572 7.725 432 HE ARG 61 HE ARG 61 5.181 -7.843 10.022 433 HH11 ARG 61 2HH1 ARG 61 3.699 -10.497 8.325 434 HH12 ARG 61 1HH1 ARG 61 3.546 -11.486 9.739 435 HH21 ARG 61 2HH2 ARG 61 4.984 -9.136 11.891 436 HH22 ARG 61 1HH2 ARG 61 4.276 -10.711 11.767 437 H GLU 62 H GLU 62 9.311 -6.832 5.429 438 HA GLU 62 HA GLU 62 9.735 -4.557 7.087 439 HB2 GLU 62 1HB GLU 62 11.440 -5.852 4.958 440 HB3 GLU 62 2HB GLU 62 11.980 -4.496 5.938 441 HG2 GLU 62 1HG GLU 62 10.946 -6.928 7.303 442 HG3 GLU 62 2HG GLU 62 12.560 -6.964 6.595 443 H GLY 63 H GLY 63 9.403 -5.017 3.587 444 HA2 GLY 63 1HA GLY 63 9.894 -2.324 2.871 445 HA3 GLY 63 2HA GLY 63 9.065 -3.516 1.881 446 H LEU 64 H LEU 64 7.025 -3.982 3.973 447 HA LEU 64 HA LEU 64 5.079 -2.180 3.077 448 HB2 LEU 64 1HB LEU 64 5.254 -4.177 5.274 449 HB3 LEU 64 2HB LEU 64 3.919 -3.027 5.296 450 HG LEU 64 HG LEU 64 4.476 -4.719 2.881 451 HD11 LEU 64 1HD1 LEU 64 4.222 -6.421 4.421 452 HD12 LEU 64 2HD1 LEU 64 2.562 -6.146 3.892 453 HD13 LEU 64 3HD1 LEU 64 3.118 -5.487 5.430 454 HD21 LEU 64 1HD2 LEU 64 2.006 -3.372 3.967 455 HD22 LEU 64 2HD2 LEU 64 2.074 -4.358 2.506 456 HD23 LEU 64 3HD2 LEU 64 2.970 -2.840 2.589 457 H LYS 65 H LYS 65 7.512 -1.802 5.420 458 HA LYS 65 HA LYS 65 6.140 0.197 6.988 459 HB2 LYS 65 1HB LYS 65 8.977 -0.821 6.943 460 HB3 LYS 65 2HB LYS 65 8.480 0.525 7.960 461 HG2 LYS 65 1HG LYS 65 6.661 -1.124 8.805 462 HG3 LYS 65 2HG LYS 65 7.732 -2.358 8.139 463 HD2 LYS 65 1HD LYS 65 8.423 -2.178 10.358 464 HD3 LYS 65 2HD LYS 65 9.582 -1.172 9.485 465 HE2 LYS 65 1HE LYS 65 7.092 0.033 10.627 466 HE3 LYS 65 2HE LYS 65 8.484 -0.276 11.664 467 HZ1 LYS 65 1HZ LYS 65 9.692 0.965 9.684 468 HZ2 LYS 65 2HZ LYS 65 8.999 1.803 10.979 469 HZ3 LYS 65 3HZ LYS 65 8.163 1.670 9.515 470 H HIS 66 H HIS 66 8.433 0.103 4.334 471 HA HIS 66 HA HIS 66 9.070 2.882 4.395 472 HB2 HIS 66 1HB HIS 66 9.377 0.784 2.242 473 HB3 HIS 66 2HB HIS 66 9.962 2.437 2.080 474 HD1 HIS 66 1HD HIS 66 12.310 2.772 2.769 475 HD2 HIS 66 2HD HIS 66 10.612 -0.531 4.631 476 HE1 HIS 66 1HE HIS 66 14.165 1.726 4.106 477 HE2 HIS 66 2HE HIS 66 13.135 -0.319 5.156 478 H VAL 67 H VAL 67 6.411 1.070 3.226 479 HA VAL 67 HA VAL 67 5.452 2.375 1.048 480 HB VAL 67 HB VAL 67 4.349 0.512 2.458 481 HG11 VAL 67 1HG1 VAL 67 4.136 1.904 4.498 482 HG12 VAL 67 2HG1 VAL 67 2.952 2.903 3.653 483 HG13 VAL 67 3HG1 VAL 67 2.607 1.202 3.970 484 HG21 VAL 67 1HG2 VAL 67 2.105 2.120 1.629 485 HG22 VAL 67 2HG2 VAL 67 3.419 2.222 0.457 486 HG23 VAL 67 3HG2 VAL 67 2.759 0.650 0.907 487 H THR 68 H THR 68 4.436 4.271 0.565 488 HA THR 68 HA THR 68 4.339 6.285 2.716 489 HB THR 68 HB THR 68 6.031 6.703 0.904 490 HG1 THR 68 1HG THR 68 3.907 8.487 1.464 491 HG21 THR 68 1HG2 THR 68 4.408 7.827 -1.077 492 HG22 THR 68 2HG2 THR 68 3.707 6.243 -0.745 493 HG23 THR 68 3HG2 THR 68 5.402 6.377 -1.211 494 H GLU 69 H GLU 69 2.185 4.512 2.165 495 HA GLU 69 HA GLU 69 0.105 6.455 1.715 496 HB2 GLU 69 1HB GLU 69 -0.994 5.291 -0.105 497 HB3 GLU 69 2HB GLU 69 0.638 5.731 -0.587 498 HG2 GLU 69 1HG GLU 69 1.207 3.314 0.237 499 HG3 GLU 69 2HG GLU 69 -0.515 3.046 -0.026 500 H ASP 70 H ASP 70 -1.310 6.083 3.274 501 HA ASP 70 HA ASP 70 -1.358 3.965 5.010 502 HB2 ASP 70 1HB ASP 70 -3.855 4.621 5.316 503 HB3 ASP 70 2HB ASP 70 -2.609 5.808 5.691 504 H CYS 71 H CYS 71 -1.256 1.927 4.188 505 HA CYS 71 HA CYS 71 -3.560 1.041 2.579 506 HB2 CYS 71 1HB CYS 71 -2.173 -0.504 1.414 507 HB3 CYS 71 2HB CYS 71 -1.323 1.037 1.393 508 HG CYS 71 HG CYS 71 0.288 0.221 3.668 509 H VAL 72 H VAL 72 -3.798 -1.450 2.756 510 HA VAL 72 HA VAL 72 -3.381 -2.285 5.548 511 HB VAL 72 HB VAL 72 -5.899 -2.795 3.960 512 HG11 VAL 72 1HG1 VAL 72 -6.714 -3.972 5.755 513 HG12 VAL 72 2HG1 VAL 72 -5.004 -4.403 5.831 514 HG13 VAL 72 3HG1 VAL 72 -5.652 -3.164 6.907 515 HG21 VAL 72 1HG2 VAL 72 -6.356 -0.656 4.483 516 HG22 VAL 72 2HG2 VAL 72 -6.666 -1.302 6.095 517 HG23 VAL 72 3HG2 VAL 72 -5.100 -0.583 5.719 518 H PHE 73 H PHE 73 -1.902 -3.856 5.348 519 HA PHE 73 HA PHE 73 -1.702 -5.582 3.102 520 HB2 PHE 73 1HB PHE 73 0.177 -4.959 4.671 521 HB3 PHE 73 2HB PHE 73 -0.537 -6.055 5.849 522 HD1 PHE 73 2HD PHE 73 0.120 -6.275 2.181 523 HD2 PHE 73 1HD PHE 73 0.701 -7.971 6.041 524 HE1 PHE 73 2HE PHE 73 1.345 -8.153 1.168 525 HE2 PHE 73 1HE PHE 73 1.928 -9.851 5.035 526 HZ PHE 73 HZ PHE 73 2.250 -9.944 2.595 527 H ILE 74 H ILE 74 -2.203 -7.769 2.905 528 HA ILE 74 HA ILE 74 -3.877 -8.961 4.995 529 HB ILE 74 HB ILE 74 -4.663 -8.870 2.080 530 HG12 ILE 74 1HG1 ILE 74 -6.094 -7.654 4.447 531 HG13 ILE 74 2HG1 ILE 74 -4.986 -6.748 3.422 532 HG21 ILE 74 1HG2 ILE 74 -6.135 -10.059 4.426 533 HG22 ILE 74 2HG2 ILE 74 -6.648 -10.070 2.740 534 HG23 ILE 74 3HG2 ILE 74 -5.223 -10.983 3.233 535 HD11 ILE 74 1HD1 ILE 74 -6.414 -7.164 1.498 536 HD12 ILE 74 2HD1 ILE 74 -7.518 -8.094 2.512 537 HD13 ILE 74 3HD1 ILE 74 -7.303 -6.367 2.796 538 H TYR 75 H TYR 75 -2.985 -10.838 5.507 539 HA TYR 75 HA TYR 75 -1.306 -12.238 3.589 540 HB2 TYR 75 1HB TYR 75 -0.601 -11.898 5.971 541 HB3 TYR 75 2HB TYR 75 -1.905 -12.974 6.460 542 HD1 TYR 75 1HD TYR 75 -1.801 -15.372 5.933 543 HD2 TYR 75 2HD TYR 75 1.414 -12.755 4.974 544 HE1 TYR 75 1HE TYR 75 -0.323 -17.312 5.620 545 HE2 TYR 75 2HE TYR 75 2.901 -14.688 4.657 546 HH TYR 75 HH TYR 75 2.556 -17.478 5.795 547 H CYS 76 H CYS 76 -2.789 -13.070 2.116 548 HA CYS 76 HA CYS 76 -4.945 -14.767 3.056 549 HB2 CYS 76 1HB CYS 76 -5.297 -13.281 1.122 550 HB3 CYS 76 2HB CYS 76 -4.038 -14.136 0.239 551 HG CYS 76 HG CYS 76 -5.403 -16.446 -0.137 552 H GLN 77 H GLN 77 -4.938 -16.936 3.119 553 HA GLN 77 HA GLN 77 -2.497 -18.301 2.208 554 HB2 GLN 77 1HB GLN 77 -4.494 -19.115 4.326 555 HB3 GLN 77 2HB GLN 77 -3.092 -20.061 3.845 556 HG2 GLN 77 1HG GLN 77 -1.616 -18.672 4.892 557 HG3 GLN 77 2HG GLN 77 -2.663 -17.262 4.736 558 HE21 GLN 77 1HE2 GLN 77 -3.548 -20.420 5.997 559 HE22 GLN 77 2HE2 GLN 77 -3.875 -19.891 7.609 560 H VAL 78 H VAL 78 -2.713 -19.400 0.384 561 HA VAL 78 HA VAL 78 -5.176 -19.981 -0.848 562 HB VAL 78 HB VAL 78 -3.874 -21.364 -2.419 563 HG11 VAL 78 1HG1 VAL 78 -3.625 -19.343 -3.331 564 HG12 VAL 78 2HG1 VAL 78 -3.339 -18.583 -1.764 565 HG13 VAL 78 3HG1 VAL 78 -2.006 -19.346 -2.632 566 HG21 VAL 78 1HG2 VAL 78 -2.278 -22.457 -1.100 567 HG22 VAL 78 2HG2 VAL 78 -1.338 -21.317 -2.064 568 HG23 VAL 78 3HG2 VAL 78 -1.710 -20.951 -0.379 569 H GLY 79 H GLY 79 -2.850 -22.131 0.792 570 HA2 GLY 79 1HA GLY 79 -4.533 -23.674 2.242 571 HA3 GLY 79 2HA GLY 79 -4.669 -24.371 0.634 572 H ASP 80 H ASP 80 -3.801 -26.333 1.461 573 HA ASP 80 HA ASP 80 -1.209 -26.442 2.646 574 HB2 ASP 80 1HB ASP 80 -2.669 -28.702 1.273 575 HB3 ASP 80 2HB ASP 80 -1.425 -28.826 2.514 576 H LYS 81 H LYS 81 0.369 -28.149 1.514 577 HA LYS 81 HA LYS 81 1.560 -26.813 -0.629 578 HB2 LYS 81 1HB LYS 81 3.093 -28.146 0.409 579 HB3 LYS 81 2HB LYS 81 1.931 -29.430 0.714 580 HG2 LYS 81 1HG LYS 81 2.144 -30.270 -1.490 581 HG3 LYS 81 2HG LYS 81 3.046 -28.847 -2.016 582 HD2 LYS 81 1HD LYS 81 4.754 -30.354 -1.710 583 HD3 LYS 81 2HD LYS 81 4.705 -29.585 -0.122 584 HE2 LYS 81 1HE LYS 81 3.163 -32.088 -0.745 585 HE3 LYS 81 2HE LYS 81 4.833 -32.129 -0.182 586 HZ1 LYS 81 1HZ LYS 81 3.573 -30.451 1.562 587 HZ2 LYS 81 2HZ LYS 81 3.980 -32.067 1.854 588 HZ3 LYS 81 3HZ LYS 81 2.432 -31.672 1.298 589 HA PRO 82 HA PRO 82 -0.237 -30.218 -3.548 590 HB2 PRO 82 1HB PRO 82 -2.135 -31.865 -2.521 591 HB3 PRO 82 2HB PRO 82 -0.406 -32.228 -2.448 592 HG2 PRO 82 1HG PRO 82 -2.190 -31.072 -0.340 593 HG3 PRO 82 2HG PRO 82 -0.935 -32.316 -0.186 594 HD2 PRO 82 1HD PRO 82 -0.520 -29.732 0.511 595 HD3 PRO 82 2HD PRO 82 0.770 -30.766 -0.134 596 H TYR 83 H TYR 83 -1.930 -28.186 -1.461 597 HA TYR 83 HA TYR 83 -4.450 -28.281 -2.887 598 HB2 TYR 83 1HB TYR 83 -4.482 -27.878 -0.483 599 HB3 TYR 83 2HB TYR 83 -3.473 -26.450 -0.686 600 HD1 TYR 83 2HD TYR 83 -4.429 -24.519 -2.078 601 HD2 TYR 83 1HD TYR 83 -6.811 -27.704 -0.567 602 HE1 TYR 83 2HE TYR 83 -6.442 -23.130 -2.340 603 HE2 TYR 83 1HE TYR 83 -8.831 -26.324 -0.826 604 HH TYR 83 HH TYR 83 -9.641 -24.329 -1.371 605 H TRP 84 H TRP 84 -1.663 -26.134 -2.594 606 HA TRP 84 HA TRP 84 -2.653 -23.977 -4.078 607 HB2 TRP 84 1HB TRP 84 -0.683 -23.555 -2.878 608 HB3 TRP 84 2HB TRP 84 0.119 -24.991 -3.511 609 HD1 TRP 84 HD TRP 84 2.111 -24.153 -4.883 610 HE1 TRP 84 1HE TRP 84 2.472 -22.380 -6.713 611 HE3 TRP 84 3HE TRP 84 -2.554 -22.060 -4.917 612 HZ2 TRP 84 2HZ TRP 84 0.977 -20.361 -8.001 613 HZ3 TRP 84 3HZ TRP 84 -3.006 -20.213 -6.478 614 HH2 TRP 84 HH TRP 84 -1.275 -19.382 -7.987 615 H LYS 85 H LYS 85 -1.065 -26.956 -5.087 616 HA LYS 85 HA LYS 85 -0.596 -26.324 -7.766 617 HB2 LYS 85 1HB LYS 85 -1.227 -28.971 -6.454 618 HB3 LYS 85 2HB LYS 85 -0.721 -28.813 -8.131 619 HG2 LYS 85 1HG LYS 85 1.428 -28.194 -7.566 620 HG3 LYS 85 2HG LYS 85 0.956 -27.641 -5.957 621 HD2 LYS 85 1HD LYS 85 0.319 -30.193 -5.664 622 HD3 LYS 85 2HD LYS 85 1.525 -30.393 -6.938 623 HE2 LYS 85 1HE LYS 85 2.065 -28.797 -4.448 624 HE3 LYS 85 2HE LYS 85 2.338 -30.537 -4.526 625 HZ1 LYS 85 1HZ LYS 85 3.588 -28.527 -6.320 626 HZ2 LYS 85 2HZ LYS 85 3.874 -30.194 -6.344 627 HZ3 LYS 85 3HZ LYS 85 4.351 -29.274 -5.007 628 H ASP 86 H ASP 86 -3.495 -27.516 -6.157 629 HA ASP 86 HA ASP 86 -5.118 -28.343 -8.136 630 HB2 ASP 86 1HB ASP 86 -6.009 -26.312 -6.082 631 HB3 ASP 86 2HB ASP 86 -7.009 -27.517 -6.888 632 HA PRO 87 HA PRO 87 -4.757 -24.784 -10.912 633 HB2 PRO 87 1HB PRO 87 -5.606 -26.143 -13.103 634 HB3 PRO 87 2HB PRO 87 -3.945 -26.225 -12.507 635 HG2 PRO 87 1HG PRO 87 -6.200 -28.152 -12.102 636 HG3 PRO 87 2HG PRO 87 -4.499 -28.484 -12.476 637 HD2 PRO 87 1HD PRO 87 -5.510 -28.702 -9.974 638 HD3 PRO 87 2HD PRO 87 -3.833 -28.209 -10.286 639 H ASN 88 H ASN 88 -7.380 -26.527 -9.720 640 HA ASN 88 HA ASN 88 -9.330 -24.918 -11.216 641 HB2 ASN 88 1HB ASN 88 -9.946 -27.241 -9.390 642 HB3 ASN 88 2HB ASN 88 -10.989 -26.519 -10.612 643 HD21 ASN 88 1HD2 ASN 88 -9.031 -29.069 -9.941 644 HD22 ASN 88 2HD2 ASN 88 -8.677 -29.592 -11.549 645 H ASN 89 H ASN 89 -7.618 -23.987 -8.965 646 HA ASN 89 HA ASN 89 -9.475 -23.597 -6.774 647 HB2 ASN 89 1HB ASN 89 -6.593 -23.023 -7.264 648 HB3 ASN 89 2HB ASN 89 -7.432 -22.023 -6.081 649 HD21 ASN 89 1HD2 ASN 89 -5.321 -23.723 -5.445 650 HD22 ASN 89 2HD2 ASN 89 -5.916 -24.982 -4.423 651 H ASP 90 H ASP 90 -10.172 -21.536 -6.034 652 HA ASP 90 HA ASP 90 -11.102 -19.826 -8.073 653 HB2 ASP 90 1HB ASP 90 -11.497 -18.278 -5.960 654 HB3 ASP 90 2HB ASP 90 -12.467 -19.724 -6.226 655 H PHE 91 H PHE 91 -8.089 -20.030 -6.558 656 HA PHE 91 HA PHE 91 -7.381 -17.250 -6.737 657 HB2 PHE 91 1HB PHE 91 -5.679 -19.716 -6.320 658 HB3 PHE 91 2HB PHE 91 -5.088 -18.061 -6.210 659 HD1 PHE 91 2HD PHE 91 -6.135 -16.540 -4.462 660 HD2 PHE 91 1HD PHE 91 -6.634 -20.767 -4.478 661 HE1 PHE 91 2HE PHE 91 -6.777 -16.470 -2.088 662 HE2 PHE 91 1HE PHE 91 -7.278 -20.704 -2.104 663 HZ PHE 91 HZ PHE 91 -7.348 -18.554 -0.905 664 H ARG 92 H ARG 92 -6.918 -20.137 -8.697 665 HA ARG 92 HA ARG 92 -5.389 -18.619 -10.670 666 HB2 ARG 92 1HB ARG 92 -6.126 -21.548 -10.722 667 HB3 ARG 92 2HB ARG 92 -4.925 -20.739 -11.719 668 HG2 ARG 92 1HG ARG 92 -3.426 -20.518 -9.953 669 HG3 ARG 92 2HG ARG 92 -4.678 -20.779 -8.737 670 HD2 ARG 92 1HD ARG 92 -4.780 -23.083 -9.178 671 HD3 ARG 92 2HD ARG 92 -3.920 -22.912 -10.708 672 HE ARG 92 HE ARG 92 -2.765 -23.155 -8.089 673 HH11 ARG 92 2HH1 ARG 92 -2.277 -21.993 -11.334 674 HH12 ARG 92 1HH1 ARG 92 -0.549 -22.058 -11.237 675 HH21 ARG 92 2HH2 ARG 92 -0.491 -23.245 -7.948 676 HH22 ARG 92 1HH2 ARG 92 0.467 -22.771 -9.311 677 H GLN 93 H GLN 93 -8.575 -19.343 -9.999 678 HA GLN 93 HA GLN 93 -9.384 -19.349 -12.816 679 HB2 GLN 93 1HB GLN 93 -11.046 -19.809 -10.333 680 HB3 GLN 93 2HB GLN 93 -11.605 -19.972 -11.993 681 HG2 GLN 93 1HG GLN 93 -9.258 -21.577 -11.137 682 HG3 GLN 93 2HG GLN 93 -10.857 -22.054 -10.567 683 HE21 GLN 93 1HE2 GLN 93 -8.650 -22.148 -13.120 684 HE22 GLN 93 2HE2 GLN 93 -9.674 -22.877 -14.305 685 H LYS 94 H LYS 94 -10.156 -17.688 -9.763 686 HA LYS 94 HA LYS 94 -11.459 -15.540 -11.239 687 HB2 LYS 94 1HB LYS 94 -11.099 -15.915 -8.259 688 HB3 LYS 94 2HB LYS 94 -12.093 -14.685 -9.029 689 HG2 LYS 94 1HG LYS 94 -12.607 -17.566 -9.605 690 HG3 LYS 94 2HG LYS 94 -13.180 -16.854 -8.095 691 HD2 LYS 94 1HD LYS 94 -14.612 -15.384 -9.186 692 HD3 LYS 94 2HD LYS 94 -13.738 -15.512 -10.714 693 HE2 LYS 94 1HE LYS 94 -14.736 -17.502 -11.274 694 HE3 LYS 94 2HE LYS 94 -15.030 -17.950 -9.595 695 HZ1 LYS 94 1HZ LYS 94 -16.528 -15.703 -9.955 696 HZ2 LYS 94 2HZ LYS 94 -17.108 -17.292 -9.958 697 HZ3 LYS 94 3HZ LYS 94 -16.716 -16.532 -11.418 698 H LEU 95 H LEU 95 -8.883 -15.830 -8.787 699 HA LEU 95 HA LEU 95 -7.970 -13.152 -9.208 700 HB2 LEU 95 1HB LEU 95 -6.911 -15.509 -7.685 701 HB3 LEU 95 2HB LEU 95 -5.978 -14.022 -7.842 702 HG LEU 95 HG LEU 95 -8.691 -14.284 -6.546 703 HD11 LEU 95 1HD1 LEU 95 -7.482 -15.015 -4.818 704 HD12 LEU 95 2HD1 LEU 95 -6.921 -13.350 -4.677 705 HD13 LEU 95 3HD1 LEU 95 -5.957 -14.532 -5.561 706 HD21 LEU 95 1HD2 LEU 95 -6.919 -11.936 -7.123 707 HD22 LEU 95 2HD2 LEU 95 -8.048 -11.920 -5.769 708 HD23 LEU 95 3HD2 LEU 95 -8.648 -12.122 -7.416 709 H LYS 96 H LYS 96 -7.254 -16.250 -10.581 710 HA LYS 96 HA LYS 96 -5.833 -16.937 -12.219 711 HB2 LYS 96 1HB LYS 96 -5.783 -14.002 -12.944 712 HB3 LYS 96 2HB LYS 96 -5.328 -15.338 -13.993 713 HG2 LYS 96 1HG LYS 96 -8.060 -15.353 -12.835 714 HG3 LYS 96 2HG LYS 96 -7.706 -14.199 -14.123 715 HD2 LYS 96 1HD LYS 96 -6.935 -17.071 -14.440 716 HD3 LYS 96 2HD LYS 96 -8.606 -16.572 -14.716 717 HE2 LYS 96 1HE LYS 96 -6.227 -15.298 -16.057 718 HE3 LYS 96 2HE LYS 96 -7.160 -16.616 -16.763 719 HZ1 LYS 96 1HZ LYS 96 -8.834 -15.251 -17.296 720 HZ2 LYS 96 2HZ LYS 96 -7.689 -14.017 -17.137 721 HZ3 LYS 96 3HZ LYS 96 -8.735 -14.369 -15.855 722 H ILE 97 H ILE 97 -4.559 -16.787 -9.874 723 HA ILE 97 HA ILE 97 -2.269 -15.113 -9.842 724 HB ILE 97 HB ILE 97 -2.746 -17.725 -8.402 725 HG12 ILE 97 1HG1 ILE 97 -4.353 -15.791 -7.983 726 HG13 ILE 97 2HG1 ILE 97 -3.535 -16.447 -6.568 727 HG21 ILE 97 1HG2 ILE 97 -0.991 -16.910 -6.855 728 HG22 ILE 97 2HG2 ILE 97 -0.390 -17.245 -8.478 729 HG23 ILE 97 3HG2 ILE 97 -0.673 -15.581 -7.969 730 HD11 ILE 97 1HD1 ILE 97 -2.663 -13.980 -8.052 731 HD12 ILE 97 2HD1 ILE 97 -3.653 -13.985 -6.591 732 HD13 ILE 97 3HD1 ILE 97 -2.002 -14.602 -6.540 733 H THR 98 H THR 98 -0.089 -15.642 -10.221 734 HA THR 98 HA THR 98 0.271 -17.621 -12.339 735 HB THR 98 HB THR 98 2.246 -15.560 -11.343 736 HG1 THR 98 1HG THR 98 1.536 -14.565 -13.445 737 HG21 THR 98 1HG2 THR 98 3.439 -15.980 -13.386 738 HG22 THR 98 2HG2 THR 98 2.174 -17.068 -13.956 739 HG23 THR 98 3HG2 THR 98 3.174 -17.524 -12.577 740 H ALA 99 H ALA 99 2.262 -16.558 -9.573 741 HA ALA 99 HA ALA 99 2.610 -19.321 -8.736 742 HB1 ALA 99 1HB ALA 99 4.902 -19.475 -9.026 743 HB2 ALA 99 2HB ALA 99 4.385 -18.658 -10.501 744 HB3 ALA 99 3HB ALA 99 5.103 -17.730 -9.186 745 H VAL 100 H VAL 100 2.688 -19.463 -6.582 746 HA VAL 100 HA VAL 100 2.703 -17.023 -5.020 747 HB VAL 100 HB VAL 100 2.144 -18.443 -3.117 748 HG11 VAL 100 1HG1 VAL 100 0.593 -18.094 -5.444 749 HG12 VAL 100 2HG1 VAL 100 0.269 -19.725 -4.852 750 HG13 VAL 100 3HG1 VAL 100 0.031 -18.337 -3.790 751 HG21 VAL 100 1HG2 VAL 100 1.857 -20.859 -3.387 752 HG22 VAL 100 2HG2 VAL 100 2.470 -20.749 -5.037 753 HG23 VAL 100 3HG2 VAL 100 3.528 -20.374 -3.677 754 HA PRO 101 HA PRO 101 2.938 -16.625 -2.754 755 HB2 PRO 101 1HB PRO 101 4.402 -14.506 -1.895 756 HB3 PRO 101 2HB PRO 101 4.313 -16.034 -1.011 757 HG2 PRO 101 1HG PRO 101 6.446 -15.037 -2.859 758 HG3 PRO 101 2HG PRO 101 6.614 -15.867 -1.300 759 HD2 PRO 101 1HD PRO 101 6.899 -17.146 -3.670 760 HD3 PRO 101 2HD PRO 101 6.247 -17.946 -2.226 761 H THR 102 H THR 102 1.675 -15.012 -3.555 762 HA THR 102 HA THR 102 2.770 -13.440 -5.797 763 HB THR 102 HB THR 102 -0.073 -14.423 -5.481 764 HG1 THR 102 1HG THR 102 2.092 -15.280 -7.116 765 HG21 THR 102 1HG2 THR 102 -0.632 -13.297 -7.401 766 HG22 THR 102 2HG2 THR 102 1.022 -13.297 -8.013 767 HG23 THR 102 3HG2 THR 102 0.556 -12.181 -6.730 768 H LEU 103 H LEU 103 3.077 -11.428 -5.079 769 HA LEU 103 HA LEU 103 1.211 -10.267 -3.155 770 HB2 LEU 103 1HB LEU 103 3.629 -10.086 -2.746 771 HB3 LEU 103 2HB LEU 103 3.804 -9.188 -4.252 772 HG LEU 103 HG LEU 103 2.287 -7.439 -3.250 773 HD11 LEU 103 1HD1 LEU 103 1.382 -8.989 -1.492 774 HD12 LEU 103 2HD1 LEU 103 1.902 -7.408 -0.910 775 HD13 LEU 103 3HD1 LEU 103 2.925 -8.821 -0.655 776 HD21 LEU 103 1HD2 LEU 103 4.899 -7.981 -1.841 777 HD22 LEU 103 2HD2 LEU 103 4.069 -6.427 -1.934 778 HD23 LEU 103 3HD2 LEU 103 4.716 -7.171 -3.397 779 H LEU 104 H LEU 104 -0.593 -9.683 -4.276 780 HA LEU 104 HA LEU 104 -0.283 -8.054 -6.688 781 HB2 LEU 104 1HB LEU 104 -1.861 -9.651 -7.152 782 HB3 LEU 104 2HB LEU 104 -2.484 -9.667 -5.503 783 HG LEU 104 HG LEU 104 -3.462 -7.367 -6.037 784 HD11 LEU 104 1HD1 LEU 104 -2.999 -8.316 -8.859 785 HD12 LEU 104 2HD1 LEU 104 -2.115 -7.006 -8.077 786 HD13 LEU 104 3HD1 LEU 104 -3.850 -6.855 -8.358 787 HD21 LEU 104 1HD2 LEU 104 -4.380 -10.021 -6.578 788 HD22 LEU 104 2HD2 LEU 104 -5.056 -8.911 -7.770 789 HD23 LEU 104 3HD2 LEU 104 -5.298 -8.611 -6.048 790 H LYS 105 H LYS 105 -0.746 -5.934 -6.760 791 HA LYS 105 HA LYS 105 -1.461 -4.626 -4.247 792 HB2 LYS 105 1HB LYS 105 0.526 -3.825 -5.456 793 HB3 LYS 105 2HB LYS 105 -0.473 -3.455 -6.855 794 HG2 LYS 105 1HG LYS 105 -1.626 -1.736 -5.665 795 HG3 LYS 105 2HG LYS 105 -0.848 -2.195 -4.149 796 HD2 LYS 105 1HD LYS 105 1.331 -1.571 -5.094 797 HD3 LYS 105 2HD LYS 105 0.536 -1.089 -6.594 798 HE2 LYS 105 1HE LYS 105 -0.556 0.716 -5.558 799 HE3 LYS 105 2HE LYS 105 -0.225 0.096 -3.941 800 HZ1 LYS 105 1HZ LYS 105 2.002 0.835 -5.720 801 HZ2 LYS 105 2HZ LYS 105 1.958 0.784 -4.030 802 HZ3 LYS 105 3HZ LYS 105 1.177 2.035 -4.859 803 H TYR 106 H TYR 106 -3.676 -4.978 -4.138 804 HA TYR 106 HA TYR 106 -5.586 -4.807 -6.072 805 HB2 TYR 106 1HB TYR 106 -5.739 -5.184 -3.461 806 HB3 TYR 106 2HB TYR 106 -6.168 -3.477 -3.459 807 HD1 TYR 106 2HD TYR 106 -7.047 -6.445 -5.567 808 HD2 TYR 106 1HD TYR 106 -8.433 -3.115 -3.310 809 HE1 TYR 106 2HE TYR 106 -9.367 -7.032 -6.135 810 HE2 TYR 106 1HE TYR 106 -10.756 -3.694 -3.871 811 HH TYR 106 HH TYR 106 -11.918 -4.985 -5.799 812 H GLY 107 H GLY 107 -5.716 -3.313 -7.624 813 HA2 GLY 107 1HA GLY 107 -6.786 -1.036 -7.876 814 HA3 GLY 107 2HA GLY 107 -5.484 -0.475 -6.837 815 H THR 108 H THR 108 -3.475 -2.191 -8.050 816 HA THR 108 HA THR 108 -3.280 -0.994 -10.733 817 HB THR 108 HB THR 108 -0.814 -0.716 -10.323 818 HG1 THR 108 1HG THR 108 -0.222 -1.744 -8.544 819 HG21 THR 108 1HG2 THR 108 -1.046 1.421 -9.422 820 HG22 THR 108 2HG2 THR 108 -2.350 0.930 -8.341 821 HG23 THR 108 3HG2 THR 108 -2.651 1.089 -10.071 822 HA PRO 109 HA PRO 109 -2.197 -5.016 -12.133 823 HB2 PRO 109 1HB PRO 109 -0.659 -4.388 -14.281 824 HB3 PRO 109 2HB PRO 109 -2.415 -4.187 -14.265 825 HG2 PRO 109 1HG PRO 109 -0.271 -2.144 -13.831 826 HG3 PRO 109 2HG PRO 109 -1.763 -2.015 -14.780 827 HD2 PRO 109 1HD PRO 109 -1.526 -0.976 -12.291 828 HD3 PRO 109 2HD PRO 109 -3.061 -1.609 -12.919 829 H GLN 110 H GLN 110 -0.072 -3.040 -10.583 830 HA GLN 110 HA GLN 110 2.382 -4.423 -11.179 831 HB2 GLN 110 1HB GLN 110 1.554 -2.198 -9.386 832 HB3 GLN 110 2HB GLN 110 3.011 -3.084 -8.957 833 HG2 GLN 110 1HG GLN 110 3.576 -2.653 -11.507 834 HG3 GLN 110 2HG GLN 110 2.481 -1.293 -11.257 835 HE21 GLN 110 1HE2 GLN 110 2.957 -0.113 -9.105 836 HE22 GLN 110 2HE2 GLN 110 4.619 0.267 -8.829 837 H LYS 111 H LYS 111 2.992 -6.296 -10.344 838 HA LYS 111 HA LYS 111 2.202 -6.997 -7.619 839 HB2 LYS 111 1HB LYS 111 1.460 -9.219 -8.257 840 HB3 LYS 111 2HB LYS 111 0.507 -8.008 -9.104 841 HG2 LYS 111 1HG LYS 111 0.920 -9.439 -10.819 842 HG3 LYS 111 2HG LYS 111 2.327 -8.384 -10.975 843 HD2 LYS 111 1HD LYS 111 3.338 -10.443 -11.047 844 HD3 LYS 111 2HD LYS 111 3.403 -10.116 -9.313 845 HE2 LYS 111 1HE LYS 111 1.688 -11.605 -8.842 846 HE3 LYS 111 2HE LYS 111 1.060 -11.559 -10.489 847 HZ1 LYS 111 1HZ LYS 111 2.098 -13.580 -10.459 848 HZ2 LYS 111 2HZ LYS 111 3.324 -13.080 -9.407 849 HZ3 LYS 111 3HZ LYS 111 3.362 -12.613 -11.032 850 H LEU 112 H LEU 112 3.564 -8.529 -6.615 851 HA LEU 112 HA LEU 112 6.127 -8.932 -8.010 852 HB2 LEU 112 1HB LEU 112 5.692 -8.839 -5.033 853 HB3 LEU 112 2HB LEU 112 7.231 -8.847 -5.892 854 HG LEU 112 HG LEU 112 5.232 -6.600 -5.717 855 HD11 LEU 112 1HD1 LEU 112 7.843 -7.228 -4.490 856 HD12 LEU 112 2HD1 LEU 112 6.485 -6.295 -3.862 857 HD13 LEU 112 3HD1 LEU 112 7.599 -5.562 -5.016 858 HD21 LEU 112 1HD2 LEU 112 7.511 -5.679 -7.014 859 HD22 LEU 112 2HD2 LEU 112 5.918 -5.939 -7.727 860 HD23 LEU 112 3HD2 LEU 112 7.137 -7.212 -7.802 861 H VAL 113 H VAL 113 6.592 -10.958 -8.519 862 HA VAL 113 HA VAL 113 5.077 -13.141 -7.349 863 HB VAL 113 HB VAL 113 7.277 -13.677 -9.273 864 HG11 VAL 113 1HG1 VAL 113 5.091 -14.941 -10.203 865 HG12 VAL 113 2HG1 VAL 113 6.159 -15.617 -8.971 866 HG13 VAL 113 3HG1 VAL 113 4.665 -14.807 -8.497 867 HG21 VAL 113 1HG2 VAL 113 5.464 -13.098 -11.084 868 HG22 VAL 113 2HG2 VAL 113 4.909 -11.963 -9.854 869 HG23 VAL 113 3HG2 VAL 113 6.557 -11.857 -10.472 870 H GLU 114 H GLU 114 6.460 -15.240 -7.023 871 HA GLU 114 HA GLU 114 7.743 -15.262 -4.701 872 HB2 GLU 114 1HB GLU 114 8.967 -16.813 -6.970 873 HB3 GLU 114 2HB GLU 114 8.806 -17.285 -5.284 874 HG2 GLU 114 1HG GLU 114 6.301 -17.268 -5.669 875 HG3 GLU 114 2HG GLU 114 6.672 -17.156 -7.388 876 H SER 115 H SER 115 9.566 -14.872 -7.744 877 HA SER 115 HA SER 115 12.037 -14.308 -6.584 878 HB2 SER 115 1HB SER 115 11.351 -14.748 -9.082 879 HB3 SER 115 2HB SER 115 11.240 -12.990 -9.156 880 HG SER 115 HG SER 115 13.375 -14.263 -9.546 881 H GLU 116 H GLU 116 9.423 -12.120 -7.551 882 HA GLU 116 HA GLU 116 10.864 -9.772 -6.720 883 HB2 GLU 116 1HB GLU 116 7.955 -10.131 -7.462 884 HB3 GLU 116 2HB GLU 116 8.758 -8.586 -7.218 885 HG2 GLU 116 1HG GLU 116 10.370 -9.397 -9.064 886 HG3 GLU 116 2HG GLU 116 9.095 -10.555 -9.439 887 H CYS 117 H CYS 117 9.258 -12.178 -5.083 888 HA CYS 117 HA CYS 117 8.216 -10.458 -2.974 889 HB2 CYS 117 1HB CYS 117 8.063 -13.407 -3.539 890 HB3 CYS 117 2HB CYS 117 7.630 -12.769 -1.957 891 HG CYS 117 HG CYS 117 6.009 -12.452 -4.909 892 H CYS 118 H CYS 118 11.106 -11.961 -3.773 893 HA CYS 118 HA CYS 118 11.958 -12.083 -0.959 894 HB2 CYS 118 1HB CYS 118 12.267 -14.207 -2.034 895 HB3 CYS 118 2HB CYS 118 13.049 -13.455 -3.419 896 HG CYS 118 HG CYS 118 14.398 -14.611 -0.666 897 H GLN 119 H GLN 119 12.185 -10.260 -3.771 898 HA GLN 119 HA GLN 119 14.828 -9.190 -3.133 899 HB2 GLN 119 1HB GLN 119 13.005 -9.029 -5.495 900 HB3 GLN 119 2HB GLN 119 14.192 -7.754 -5.253 901 HG2 GLN 119 1HG GLN 119 14.745 -9.844 -6.717 902 HG3 GLN 119 2HG GLN 119 15.965 -9.129 -5.664 903 HE21 GLN 119 1HE2 GLN 119 14.151 -11.904 -6.411 904 HE22 GLN 119 2HE2 GLN 119 14.731 -12.916 -5.137 905 H SER 120 H SER 120 14.524 -7.968 -1.307 906 HA SER 120 HA SER 120 12.441 -6.360 -0.588 907 HB2 SER 120 1HB SER 120 14.456 -4.846 0.349 908 HB3 SER 120 2HB SER 120 14.005 -6.387 1.078 909 HG SER 120 HG SER 120 15.864 -6.342 -1.024 910 H SER 121 H SER 121 15.171 -5.458 -2.670 911 HA SER 121 HA SER 121 14.756 -2.807 -3.076 912 HB2 SER 121 1HB SER 121 16.553 -4.138 -4.155 913 HB3 SER 121 2HB SER 121 15.363 -4.794 -5.278 914 HG SER 121 HG SER 121 15.317 -2.950 -6.331 915 H LEU 122 H LEU 122 12.851 -5.452 -4.380 916 HA LEU 122 HA LEU 122 11.245 -3.709 -6.033 917 HB2 LEU 122 1HB LEU 122 11.061 -6.633 -5.346 918 HB3 LEU 122 2HB LEU 122 9.892 -5.808 -6.376 919 HG LEU 122 HG LEU 122 12.837 -5.980 -6.996 920 HD11 LEU 122 1HD1 LEU 122 12.297 -8.189 -7.202 921 HD12 LEU 122 2HD1 LEU 122 11.813 -7.608 -8.795 922 HD13 LEU 122 3HD1 LEU 122 10.598 -7.859 -7.542 923 HD21 LEU 122 1HD2 LEU 122 12.393 -4.858 -8.898 924 HD22 LEU 122 2HD2 LEU 122 11.012 -4.253 -7.983 925 HD23 LEU 122 3HD2 LEU 122 10.808 -5.606 -9.097 926 H VAL 123 H VAL 123 10.893 -5.470 -2.989 927 HA VAL 123 HA VAL 123 8.186 -4.993 -2.518 928 HB VAL 123 HB VAL 123 10.419 -5.207 -0.493 929 HG11 VAL 123 1HG1 VAL 123 8.850 -5.477 1.183 930 HG12 VAL 123 2HG1 VAL 123 8.116 -4.215 0.191 931 HG13 VAL 123 3HG1 VAL 123 7.559 -5.884 0.053 932 HG21 VAL 123 1HG2 VAL 123 9.668 -7.563 -0.321 933 HG22 VAL 123 2HG2 VAL 123 8.585 -7.285 -1.685 934 HG23 VAL 123 3HG2 VAL 123 10.330 -7.160 -1.905 935 H GLU 124 H GLU 124 11.021 -3.016 -1.753 936 HA GLU 124 HA GLU 124 9.503 -0.988 -0.415 937 HB2 GLU 124 1HB GLU 124 11.581 0.265 -0.353 938 HB3 GLU 124 2HB GLU 124 11.881 -1.409 0.094 939 HG2 GLU 124 1HG GLU 124 12.822 -1.883 -2.051 940 HG3 GLU 124 2HG GLU 124 12.354 -0.296 -2.660 941 H MET 125 H MET 125 9.935 -1.801 -3.643 942 HA MET 125 HA MET 125 9.709 0.912 -4.660 943 HB2 MET 125 1HB MET 125 11.057 -1.017 -5.731 944 HB3 MET 125 2HB MET 125 9.500 -1.585 -6.320 945 HG2 MET 125 1HG MET 125 9.259 0.843 -7.216 946 HG3 MET 125 2HG MET 125 11.012 0.880 -7.041 947 HE1 MET 125 1HE MET 125 8.188 -1.308 -7.981 948 HE2 MET 125 2HE MET 125 8.382 -1.608 -9.708 949 HE3 MET 125 3HE MET 125 9.154 -2.676 -8.534 950 H ILE 126 H ILE 126 7.829 -2.105 -4.980 951 HA ILE 126 HA ILE 126 5.602 -1.124 -6.245 952 HB ILE 126 HB ILE 126 6.008 -3.521 -5.677 953 HG12 ILE 126 1HG1 ILE 126 3.278 -2.738 -4.694 954 HG13 ILE 126 2HG1 ILE 126 3.747 -2.432 -6.362 955 HG21 ILE 126 1HG2 ILE 126 6.608 -3.318 -3.357 956 HG22 ILE 126 2HG2 ILE 126 5.023 -2.653 -2.965 957 HG23 ILE 126 3HG2 ILE 126 5.170 -4.331 -3.488 958 HD11 ILE 126 1HD1 ILE 126 4.350 -4.916 -6.444 959 HD12 ILE 126 2HD1 ILE 126 3.408 -5.051 -4.958 960 HD13 ILE 126 3HD1 ILE 126 2.643 -4.473 -6.438 961 H PHE 127 H PHE 127 6.446 -0.879 -2.842 962 HA PHE 127 HA PHE 127 3.906 0.260 -2.096 963 HB2 PHE 127 1HB PHE 127 6.511 0.034 -0.575 964 HB3 PHE 127 2HB PHE 127 4.995 0.606 0.112 965 HD1 PHE 127 2HD PHE 127 3.104 -1.312 -1.142 966 HD2 PHE 127 1HD PHE 127 6.928 -1.914 0.627 967 HE1 PHE 127 2HE PHE 127 2.481 -3.628 -0.593 968 HE2 PHE 127 1HE PHE 127 6.312 -4.232 1.178 969 HZ PHE 127 HZ PHE 127 4.085 -5.091 0.569 970 H SER 128 H SER 128 6.976 1.409 -3.195 971 HA SER 128 HA SER 128 6.831 4.053 -2.203 972 HB2 SER 128 1HB SER 128 8.723 4.483 -3.481 973 HB3 SER 128 2HB SER 128 8.827 2.734 -3.284 974 HG SER 128 HG SER 128 8.580 2.516 -5.355 975 H GLU 129 H GLU 129 6.025 2.688 -5.392 976 HA GLU 129 HA GLU 129 5.245 4.860 -6.792 977 HB2 GLU 129 1HB GLU 129 5.092 2.677 -7.774 978 HB3 GLU 129 2HB GLU 129 3.859 2.184 -6.620 979 HG2 GLU 129 1HG GLU 129 2.659 2.593 -8.555 980 HG3 GLU 129 2HG GLU 129 2.447 4.074 -7.623 981 H ASP 130 H ASP 130 4.129 6.575 -6.143 982 HA ASP 130 HA ASP 130 1.761 6.166 -4.445 983 HB2 ASP 130 1HB ASP 130 2.019 8.627 -3.942 984 HB3 ASP 130 2HB ASP 130 3.328 7.602 -3.358 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -8.183 8.140 25.091 2 HA2 GLY 1 1HA GLY 1 -6.259 8.514 27.298 3 HA3 GLY 1 2HA GLY 1 -6.092 7.179 26.166 4 H SER 2 H SER 2 -4.857 7.489 24.431 5 HA SER 2 HA SER 2 -4.502 10.182 23.362 6 HB2 SER 2 1HB SER 2 -2.689 9.602 25.115 7 HB3 SER 2 2HB SER 2 -2.065 8.496 23.892 8 HG SER 2 HG SER 2 -2.204 11.299 23.859 9 H GLU 3 H GLU 3 -4.633 10.142 21.221 10 HA GLU 3 HA GLU 3 -4.295 7.569 19.848 11 HB2 GLU 3 1HB GLU 3 -5.606 8.558 18.031 12 HB3 GLU 3 2HB GLU 3 -6.471 8.648 19.559 13 HG2 GLU 3 1HG GLU 3 -6.794 10.710 18.450 14 HG3 GLU 3 2HG GLU 3 -5.671 11.006 19.776 15 H GLY 4 H GLY 4 -3.093 7.420 17.916 16 HA2 GLY 4 1HA GLY 4 -0.737 9.058 17.894 17 HA3 GLY 4 2HA GLY 4 -1.104 7.743 16.787 18 H ALA 5 H ALA 5 -1.002 11.120 17.228 19 HA ALA 5 HA ALA 5 -2.656 11.733 14.927 20 HB1 ALA 5 1HB ALA 5 -1.463 14.080 15.518 21 HB2 ALA 5 2HB ALA 5 -2.926 13.490 16.310 22 HB3 ALA 5 3HB ALA 5 -1.355 13.264 17.078 23 H ALA 6 H ALA 6 -0.540 10.043 14.264 24 HA ALA 6 HA ALA 6 1.687 11.495 13.224 25 HB1 ALA 6 1HB ALA 6 1.393 9.025 11.860 26 HB2 ALA 6 2HB ALA 6 2.536 9.450 13.135 27 HB3 ALA 6 3HB ALA 6 0.963 8.772 13.552 28 H THR 7 H THR 7 2.224 11.795 10.997 29 HA THR 7 HA THR 7 -0.147 12.082 9.269 30 HB THR 7 HB THR 7 1.042 13.904 8.120 31 HG1 THR 7 1HG THR 7 3.007 13.501 10.148 32 HG21 THR 7 1HG2 THR 7 1.266 15.367 10.372 33 HG22 THR 7 2HG2 THR 7 0.341 13.998 10.988 34 HG23 THR 7 3HG2 THR 7 -0.280 14.946 9.637 35 H MET 8 H MET 8 2.564 10.260 9.714 36 HA MET 8 HA MET 8 3.345 10.000 6.942 37 HB2 MET 8 1HB MET 8 4.790 9.703 9.127 38 HB3 MET 8 2HB MET 8 4.182 8.054 9.051 39 HG2 MET 8 1HG MET 8 5.023 8.046 6.641 40 HG3 MET 8 2HG MET 8 5.910 9.504 7.081 41 HE1 MET 8 1HE MET 8 8.252 6.533 6.596 42 HE2 MET 8 2HE MET 8 6.872 5.507 6.986 43 HE3 MET 8 3HE MET 8 6.672 6.875 5.890 44 H ALA 9 H ALA 9 3.300 7.930 5.816 45 HA ALA 9 HA ALA 9 0.816 6.848 5.488 46 HB1 ALA 9 1HB ALA 9 3.554 5.923 4.851 47 HB2 ALA 9 2HB ALA 9 2.261 4.727 4.754 48 HB3 ALA 9 3HB ALA 9 2.172 6.202 3.790 49 H THR 10 H THR 10 -0.211 4.909 6.125 50 HA THR 10 HA THR 10 0.827 3.692 8.597 51 HB THR 10 HB THR 10 -1.536 3.505 9.401 52 HG1 THR 10 1HG THR 10 -1.950 4.919 7.016 53 HG21 THR 10 1HG2 THR 10 -0.678 6.361 8.938 54 HG22 THR 10 2HG2 THR 10 0.043 5.299 10.149 55 HG23 THR 10 3HG2 THR 10 -1.661 5.738 10.262 56 H PHE 11 H PHE 11 0.871 1.534 8.592 57 HA PHE 11 HA PHE 11 -0.624 0.131 6.475 58 HB2 PHE 11 1HB PHE 11 1.150 -1.318 6.139 59 HB3 PHE 11 2HB PHE 11 1.999 0.176 6.518 60 HD1 PHE 11 1HD PHE 11 1.067 -3.147 7.735 61 HD2 PHE 11 2HD PHE 11 3.215 0.429 8.576 62 HE1 PHE 11 1HE PHE 11 2.239 -4.288 9.573 63 HE2 PHE 11 2HE PHE 11 4.392 -0.706 10.415 64 HZ PHE 11 HZ PHE 11 3.905 -3.068 10.915 65 H GLU 12 H GLU 12 -1.853 -1.613 7.002 66 HA GLU 12 HA GLU 12 -1.960 -2.342 9.855 67 HB2 GLU 12 1HB GLU 12 -3.946 -1.069 9.075 68 HB3 GLU 12 2HB GLU 12 -4.256 -2.330 7.890 69 HG2 GLU 12 1HG GLU 12 -5.686 -2.924 9.575 70 HG3 GLU 12 2HG GLU 12 -4.271 -3.901 9.959 71 H GLU 13 H GLU 13 -1.877 -4.458 10.378 72 HA GLU 13 HA GLU 13 -1.418 -6.344 8.195 73 HB2 GLU 13 1HB GLU 13 0.052 -6.004 10.360 74 HB3 GLU 13 2HB GLU 13 -1.133 -7.088 11.075 75 HG2 GLU 13 1HG GLU 13 -0.601 -8.541 8.952 76 HG3 GLU 13 2HG GLU 13 0.899 -7.615 8.972 77 H VAL 14 H VAL 14 -2.904 -7.761 7.575 78 HA VAL 14 HA VAL 14 -5.081 -8.431 9.446 79 HB VAL 14 HB VAL 14 -5.354 -8.122 6.453 80 HG11 VAL 14 1HG1 VAL 14 -7.260 -9.240 6.650 81 HG12 VAL 14 2HG1 VAL 14 -6.930 -9.502 8.363 82 HG13 VAL 14 3HG1 VAL 14 -7.831 -8.077 7.846 83 HG21 VAL 14 1HG2 VAL 14 -6.083 -6.301 8.731 84 HG22 VAL 14 2HG2 VAL 14 -5.113 -5.938 7.303 85 HG23 VAL 14 3HG2 VAL 14 -6.852 -6.186 7.148 86 H SER 15 H SER 15 -5.794 -10.541 9.477 87 HA SER 15 HA SER 15 -4.198 -12.453 7.899 88 HB2 SER 15 1HB SER 15 -3.528 -12.738 10.153 89 HB3 SER 15 2HB SER 15 -5.183 -12.602 10.746 90 HG SER 15 HG SER 15 -3.840 -14.793 9.922 91 H VAL 16 H VAL 16 -5.242 -14.012 6.784 92 HA VAL 16 HA VAL 16 -8.007 -14.661 7.333 93 HB VAL 16 HB VAL 16 -8.777 -14.170 5.033 94 HG11 VAL 16 1HG1 VAL 16 -7.741 -11.705 6.423 95 HG12 VAL 16 2HG1 VAL 16 -9.147 -11.826 5.363 96 HG13 VAL 16 3HG1 VAL 16 -9.160 -12.614 6.941 97 HG21 VAL 16 1HG2 VAL 16 -7.121 -12.232 4.067 98 HG22 VAL 16 2HG2 VAL 16 -5.968 -13.388 4.735 99 HG23 VAL 16 3HG2 VAL 16 -7.137 -13.910 3.521 100 H LEU 17 H LEU 17 -8.754 -16.511 6.156 101 HA LEU 17 HA LEU 17 -6.645 -18.017 4.766 102 HB2 LEU 17 1HB LEU 17 -7.221 -18.638 7.256 103 HB3 LEU 17 2HB LEU 17 -8.595 -19.449 6.506 104 HG LEU 17 HG LEU 17 -5.704 -20.005 5.844 105 HD11 LEU 17 1HD1 LEU 17 -5.609 -21.286 7.648 106 HD12 LEU 17 2HD1 LEU 17 -6.998 -22.205 7.071 107 HD13 LEU 17 3HD1 LEU 17 -7.241 -20.794 8.100 108 HD21 LEU 17 1HD2 LEU 17 -6.756 -20.774 3.989 109 HD22 LEU 17 2HD2 LEU 17 -8.308 -20.957 4.806 110 HD23 LEU 17 3HD2 LEU 17 -7.044 -22.166 5.033 111 H GLY 18 H GLY 18 -7.432 -17.900 2.727 112 HA2 GLY 18 1HA GLY 18 -8.819 -19.269 1.222 113 HA3 GLY 18 2HA GLY 18 -10.162 -18.955 2.311 114 H PHE 19 H PHE 19 -11.014 -18.357 0.058 115 HA PHE 19 HA PHE 19 -10.210 -15.708 -0.829 116 HB2 PHE 19 1HB PHE 19 -10.708 -17.497 -2.479 117 HB3 PHE 19 2HB PHE 19 -12.374 -17.522 -1.911 118 HD1 PHE 19 2HD PHE 19 -13.562 -15.157 -1.939 119 HD2 PHE 19 1HD PHE 19 -10.210 -16.239 -4.329 120 HE1 PHE 19 2HE PHE 19 -14.133 -13.378 -3.539 121 HE2 PHE 19 1HE PHE 19 -10.776 -14.461 -5.933 122 HZ PHE 19 HZ PHE 19 -12.740 -13.029 -5.540 123 H GLU 20 H GLU 20 -13.107 -17.316 0.447 124 HA GLU 20 HA GLU 20 -14.909 -15.253 0.412 125 HB2 GLU 20 1HB GLU 20 -14.472 -17.485 2.373 126 HB3 GLU 20 2HB GLU 20 -15.753 -16.308 2.627 127 HG2 GLU 20 1HG GLU 20 -15.434 -18.137 0.261 128 HG3 GLU 20 2HG GLU 20 -16.640 -18.260 1.540 129 H GLU 21 H GLU 21 -12.913 -16.056 3.262 130 HA GLU 21 HA GLU 21 -13.481 -13.763 4.723 131 HB2 GLU 21 1HB GLU 21 -11.096 -15.601 4.710 132 HB3 GLU 21 2HB GLU 21 -11.202 -14.236 5.813 133 HG2 GLU 21 1HG GLU 21 -13.431 -15.207 6.553 134 HG3 GLU 21 2HG GLU 21 -12.953 -16.665 5.685 135 H PHE 22 H PHE 22 -10.908 -14.356 2.367 136 HA PHE 22 HA PHE 22 -9.463 -12.002 2.691 137 HB2 PHE 22 1HB PHE 22 -8.420 -13.561 1.319 138 HB3 PHE 22 2HB PHE 22 -9.883 -13.875 0.392 139 HD1 PHE 22 2HD PHE 22 -8.019 -10.742 1.183 140 HD2 PHE 22 1HD PHE 22 -9.504 -13.375 -1.815 141 HE1 PHE 22 2HE PHE 22 -7.240 -9.191 -0.561 142 HE2 PHE 22 1HE PHE 22 -8.726 -11.828 -3.563 143 HZ PHE 22 HZ PHE 22 -7.594 -9.732 -2.937 144 H ASP 23 H ASP 23 -12.294 -12.657 0.670 145 HA ASP 23 HA ASP 23 -12.410 -10.199 -0.659 146 HB2 ASP 23 1HB ASP 23 -13.748 -12.268 -1.195 147 HB3 ASP 23 2HB ASP 23 -14.794 -11.863 0.164 148 H LYS 24 H LYS 24 -14.144 -11.240 2.276 149 HA LYS 24 HA LYS 24 -15.514 -8.935 2.857 150 HB2 LYS 24 1HB LYS 24 -15.308 -11.265 4.104 151 HB3 LYS 24 2HB LYS 24 -14.185 -10.366 5.114 152 HG2 LYS 24 1HG LYS 24 -16.098 -10.003 6.277 153 HG3 LYS 24 2HG LYS 24 -16.182 -8.633 5.167 154 HD2 LYS 24 1HD LYS 24 -18.328 -9.639 5.155 155 HD3 LYS 24 2HD LYS 24 -17.550 -10.110 3.642 156 HE2 LYS 24 1HE LYS 24 -17.301 -12.295 4.295 157 HE3 LYS 24 2HE LYS 24 -17.260 -11.891 6.010 158 HZ1 LYS 24 1HZ LYS 24 -19.663 -11.360 5.827 159 HZ2 LYS 24 2HZ LYS 24 -19.304 -12.990 5.549 160 HZ3 LYS 24 3HZ LYS 24 -19.646 -11.965 4.247 161 H ALA 25 H ALA 25 -12.225 -9.758 3.952 162 HA ALA 25 HA ALA 25 -11.675 -7.420 5.348 163 HB1 ALA 25 1HB ALA 25 -10.246 -9.383 5.461 164 HB2 ALA 25 2HB ALA 25 -9.758 -9.144 3.783 165 HB3 ALA 25 3HB ALA 25 -9.308 -7.960 5.010 166 H VAL 26 H VAL 26 -11.261 -8.138 1.905 167 HA VAL 26 HA VAL 26 -9.985 -5.721 1.208 168 HB VAL 26 HB VAL 26 -11.609 -7.660 -0.432 169 HG11 VAL 26 1HG1 VAL 26 -10.526 -5.011 -1.134 170 HG12 VAL 26 2HG1 VAL 26 -10.182 -6.311 -2.276 171 HG13 VAL 26 3HG1 VAL 26 -11.851 -5.924 -1.854 172 HG21 VAL 26 1HG2 VAL 26 -8.687 -7.158 -0.742 173 HG22 VAL 26 2HG2 VAL 26 -9.250 -8.142 0.610 174 HG23 VAL 26 3HG2 VAL 26 -9.616 -8.626 -1.046 175 H LYS 27 H LYS 27 -13.358 -6.709 0.583 176 HA LYS 27 HA LYS 27 -14.321 -4.277 -0.299 177 HB2 LYS 27 1HB LYS 27 -15.537 -6.674 0.964 178 HB3 LYS 27 2HB LYS 27 -16.515 -5.213 0.934 179 HG2 LYS 27 1HG LYS 27 -15.200 -6.022 -1.594 180 HG3 LYS 27 2HG LYS 27 -16.556 -6.998 -1.026 181 HD2 LYS 27 1HD LYS 27 -17.709 -5.452 -2.240 182 HD3 LYS 27 2HD LYS 27 -17.647 -4.599 -0.695 183 HE2 LYS 27 1HE LYS 27 -15.655 -3.385 -1.467 184 HE3 LYS 27 2HE LYS 27 -15.758 -4.218 -3.017 185 HZ1 LYS 27 1HZ LYS 27 -16.991 -2.486 -3.636 186 HZ2 LYS 27 2HZ LYS 27 -17.255 -1.966 -2.049 187 HZ3 LYS 27 3HZ LYS 27 -18.235 -3.171 -2.718 188 H GLU 28 H GLU 28 -13.263 -5.108 2.826 189 HA GLU 28 HA GLU 28 -14.841 -3.120 4.211 190 HB2 GLU 28 1HB GLU 28 -12.785 -5.136 4.985 191 HB3 GLU 28 2HB GLU 28 -13.035 -3.760 6.050 192 HG2 GLU 28 1HG GLU 28 -15.538 -4.401 5.882 193 HG3 GLU 28 2HG GLU 28 -14.922 -5.958 5.332 194 H HIS 29 H HIS 29 -11.577 -3.462 2.954 195 HA HIS 29 HA HIS 29 -11.010 -0.690 3.770 196 HB2 HIS 29 1HB HIS 29 -8.879 -2.595 2.866 197 HB3 HIS 29 2HB HIS 29 -8.744 -1.202 3.936 198 HD1 HIS 29 1HD HIS 29 -10.181 -1.622 6.312 199 HD2 HIS 29 2HD HIS 29 -8.787 -4.926 4.214 200 HE1 HIS 29 1HE HIS 29 -10.155 -3.511 7.973 201 HE2 HIS 29 2HE HIS 29 -9.228 -5.478 6.703 202 H GLU 30 H GLU 30 -12.529 -1.588 1.403 203 HA GLU 30 HA GLU 30 -10.963 -1.389 -0.929 204 HB2 GLU 30 1HB GLU 30 -12.973 -1.310 -2.117 205 HB3 GLU 30 2HB GLU 30 -13.396 -2.196 -0.659 206 HG2 GLU 30 1HG GLU 30 -14.428 -0.258 0.295 207 HG3 GLU 30 2HG GLU 30 -13.862 0.752 -1.034 208 H SER 31 H SER 31 -11.918 0.955 1.345 209 HA SER 31 HA SER 31 -11.992 3.226 -0.378 210 HB2 SER 31 1HB SER 31 -11.932 2.780 2.573 211 HB3 SER 31 2HB SER 31 -11.500 4.379 1.967 212 HG SER 31 HG SER 31 -13.804 3.181 0.947 213 H LYS 32 H LYS 32 -9.498 1.650 1.543 214 HA LYS 32 HA LYS 32 -7.520 3.534 0.438 215 HB2 LYS 32 1HB LYS 32 -7.335 1.823 2.925 216 HB3 LYS 32 2HB LYS 32 -6.076 2.898 2.332 217 HG2 LYS 32 1HG LYS 32 -7.021 4.249 3.892 218 HG3 LYS 32 2HG LYS 32 -8.013 4.684 2.499 219 HD2 LYS 32 1HD LYS 32 -9.836 3.459 3.255 220 HD3 LYS 32 2HD LYS 32 -8.844 2.448 4.309 221 HE2 LYS 32 1HE LYS 32 -8.364 4.702 5.535 222 HE3 LYS 32 2HE LYS 32 -9.840 5.234 4.732 223 HZ1 LYS 32 1HZ LYS 32 -9.680 2.788 6.402 224 HZ2 LYS 32 2HZ LYS 32 -11.074 3.532 5.800 225 HZ3 LYS 32 3HZ LYS 32 -10.161 4.296 7.001 226 H THR 33 H THR 33 -5.398 2.628 -0.082 227 HA THR 33 HA THR 33 -5.496 0.543 -1.885 228 HB THR 33 HB THR 33 -3.120 1.541 -0.305 229 HG1 THR 33 1HG THR 33 -3.653 2.046 -3.032 230 HG21 THR 33 1HG2 THR 33 -3.298 -0.368 -2.624 231 HG22 THR 33 2HG2 THR 33 -2.460 -0.583 -1.087 232 HG23 THR 33 3HG2 THR 33 -1.837 0.557 -2.280 233 H ILE 34 H ILE 34 -5.199 -1.632 -1.820 234 HA ILE 34 HA ILE 34 -4.782 -2.847 0.833 235 HB ILE 34 HB ILE 34 -6.567 -3.856 -1.385 236 HG12 ILE 34 1HG1 ILE 34 -7.310 -2.972 1.408 237 HG13 ILE 34 2HG1 ILE 34 -7.408 -1.921 0.000 238 HG21 ILE 34 1HG2 ILE 34 -5.807 -5.056 1.268 239 HG22 ILE 34 2HG2 ILE 34 -7.207 -5.579 0.334 240 HG23 ILE 34 3HG2 ILE 34 -5.585 -5.747 -0.339 241 HD11 ILE 34 1HD1 ILE 34 -9.426 -3.473 0.950 242 HD12 ILE 34 2HD1 ILE 34 -9.314 -2.848 -0.696 243 HD13 ILE 34 3HD1 ILE 34 -8.765 -4.484 -0.335 244 H PHE 35 H PHE 35 -3.606 -4.782 0.922 245 HA PHE 35 HA PHE 35 -2.243 -5.594 -1.549 246 HB2 PHE 35 1HB PHE 35 -0.963 -4.879 1.085 247 HB3 PHE 35 2HB PHE 35 -0.148 -5.879 -0.113 248 HD1 PHE 35 2HD PHE 35 0.457 -4.933 -2.308 249 HD2 PHE 35 1HD PHE 35 -1.165 -2.531 0.809 250 HE1 PHE 35 2HE PHE 35 1.244 -2.908 -3.463 251 HE2 PHE 35 1HE PHE 35 -0.382 -0.502 -0.341 252 HZ PHE 35 HZ PHE 35 0.826 -0.689 -2.480 253 H ALA 36 H ALA 36 -2.883 -7.623 -1.864 254 HA ALA 36 HA ALA 36 -3.317 -9.382 0.433 255 HB1 ALA 36 1HB ALA 36 -4.060 -10.894 -1.655 256 HB2 ALA 36 2HB ALA 36 -5.135 -9.744 -0.859 257 HB3 ALA 36 3HB ALA 36 -4.305 -9.289 -2.347 258 H TYR 37 H TYR 37 -1.963 -10.976 0.964 259 HA TYR 37 HA TYR 37 0.221 -11.609 -0.910 260 HB2 TYR 37 1HB TYR 37 1.008 -10.496 1.127 261 HB3 TYR 37 2HB TYR 37 0.222 -11.723 2.114 262 HD1 TYR 37 1HD TYR 37 2.656 -11.555 -0.726 263 HD2 TYR 37 2HD TYR 37 1.571 -13.388 2.957 264 HE1 TYR 37 1HE TYR 37 4.700 -12.920 -0.810 265 HE2 TYR 37 2HE TYR 37 3.612 -14.757 2.884 266 HH TYR 37 HH TYR 37 6.191 -14.120 1.081 267 H PHE 38 H PHE 38 -0.704 -13.343 -1.946 268 HA PHE 38 HA PHE 38 -1.987 -15.473 -0.521 269 HB2 PHE 38 1HB PHE 38 -0.959 -15.587 -3.355 270 HB3 PHE 38 2HB PHE 38 -2.275 -16.515 -2.643 271 HD1 PHE 38 1HD PHE 38 -4.349 -15.230 -1.887 272 HD2 PHE 38 2HD PHE 38 -1.383 -13.591 -4.463 273 HE1 PHE 38 1HE PHE 38 -5.960 -13.539 -2.661 274 HE2 PHE 38 2HE PHE 38 -2.989 -11.897 -5.240 275 HZ PHE 38 HZ PHE 38 -5.280 -11.869 -4.338 276 H SER 39 H SER 39 -0.805 -16.707 0.796 277 HA SER 39 HA SER 39 1.652 -17.908 -0.290 278 HB2 SER 39 1HB SER 39 2.593 -17.829 2.043 279 HB3 SER 39 2HB SER 39 2.402 -16.249 1.282 280 HG SER 39 HG SER 39 0.239 -16.338 2.430 281 H GLY 40 H GLY 40 2.240 -19.964 0.718 282 HA2 GLY 40 1HA GLY 40 -0.001 -21.694 0.925 283 HA3 GLY 40 2HA GLY 40 1.674 -22.135 1.219 284 H SER 41 H SER 41 -0.725 -22.941 2.673 285 HA SER 41 HA SER 41 -1.152 -21.632 5.061 286 HB2 SER 41 1HB SER 41 -1.778 -23.870 5.980 287 HB3 SER 41 2HB SER 41 -2.514 -23.527 4.415 288 HG SER 41 HG SER 41 -0.304 -25.207 4.977 289 H LYS 42 H LYS 42 -0.142 -21.486 6.998 290 HA LYS 42 HA LYS 42 2.651 -22.252 7.086 291 HB2 LYS 42 1HB LYS 42 0.922 -20.699 9.019 292 HB3 LYS 42 2HB LYS 42 2.640 -20.996 9.250 293 HG2 LYS 42 1HG LYS 42 3.258 -19.539 7.601 294 HG3 LYS 42 2HG LYS 42 1.745 -19.729 6.713 295 HD2 LYS 42 1HD LYS 42 1.722 -17.547 7.651 296 HD3 LYS 42 2HD LYS 42 0.608 -18.524 8.610 297 HE2 LYS 42 1HE LYS 42 1.760 -17.518 10.299 298 HE3 LYS 42 2HE LYS 42 2.791 -18.927 10.055 299 HZ1 LYS 42 1HZ LYS 42 3.885 -16.638 10.183 300 HZ2 LYS 42 2HZ LYS 42 3.305 -16.405 8.611 301 HZ3 LYS 42 3HZ LYS 42 4.373 -17.675 8.939 302 H ASP 43 H ASP 43 3.600 -23.451 8.812 303 HA ASP 43 HA ASP 43 2.019 -25.721 9.589 304 HB2 ASP 43 1HB ASP 43 4.788 -25.140 10.607 305 HB3 ASP 43 2HB ASP 43 4.029 -26.701 10.309 306 H THR 44 H THR 44 2.730 -26.467 12.032 307 HA THR 44 HA THR 44 1.065 -25.038 13.740 308 HB THR 44 HB THR 44 2.136 -26.305 15.594 309 HG1 THR 44 1HG THR 44 3.781 -27.835 14.943 310 HG21 THR 44 1HG2 THR 44 0.657 -27.849 14.963 311 HG22 THR 44 2HG2 THR 44 1.911 -28.576 13.958 312 HG23 THR 44 3HG2 THR 44 0.818 -27.373 13.273 313 H GLU 45 H GLU 45 4.519 -24.735 13.162 314 HA GLU 45 HA GLU 45 4.958 -22.921 15.343 315 HB2 GLU 45 1HB GLU 45 6.636 -24.498 14.041 316 HB3 GLU 45 2HB GLU 45 6.823 -23.082 13.017 317 HG2 GLU 45 1HG GLU 45 8.493 -22.713 14.513 318 HG3 GLU 45 2HG GLU 45 7.173 -21.865 15.317 319 H GLY 46 H GLY 46 3.906 -22.655 12.071 320 HA2 GLY 46 1HA GLY 46 2.780 -20.669 11.337 321 HA3 GLY 46 2HA GLY 46 3.839 -19.729 12.378 322 H LYS 47 H LYS 47 4.803 -22.272 10.128 323 HA LYS 47 HA LYS 47 6.102 -20.224 8.458 324 HB2 LYS 47 1HB LYS 47 7.269 -22.755 9.590 325 HB3 LYS 47 2HB LYS 47 7.928 -22.023 8.133 326 HG2 LYS 47 1HG LYS 47 7.986 -19.868 9.641 327 HG3 LYS 47 2HG LYS 47 8.003 -21.061 10.943 328 HD2 LYS 47 1HD LYS 47 9.905 -21.182 8.615 329 HD3 LYS 47 2HD LYS 47 10.262 -20.269 10.083 330 HE2 LYS 47 1HE LYS 47 9.413 -23.123 10.295 331 HE3 LYS 47 2HE LYS 47 11.069 -22.747 9.823 332 HZ1 LYS 47 1HZ LYS 47 9.691 -22.012 12.340 333 HZ2 LYS 47 2HZ LYS 47 11.158 -21.317 11.866 334 HZ3 LYS 47 3HZ LYS 47 11.064 -22.982 12.154 335 H SER 48 H SER 48 5.546 -20.349 6.390 336 HA SER 48 HA SER 48 3.774 -22.276 5.388 337 HB2 SER 48 1HB SER 48 4.057 -19.985 4.453 338 HB3 SER 48 2HB SER 48 5.615 -20.481 3.789 339 HG SER 48 HG SER 48 3.385 -22.048 3.190 340 H TRP 49 H TRP 49 4.034 -24.078 4.128 341 HA TRP 49 HA TRP 49 6.192 -25.737 4.513 342 HB2 TRP 49 1HB TRP 49 5.352 -26.817 2.275 343 HB3 TRP 49 2HB TRP 49 4.322 -26.836 3.704 344 HD1 TRP 49 HD TRP 49 2.168 -25.231 3.690 345 HE1 TRP 49 1HE TRP 49 0.870 -24.134 1.757 346 HE3 TRP 49 3HE TRP 49 5.634 -25.775 -0.029 347 HZ2 TRP 49 2HZ TRP 49 1.263 -23.573 -0.981 348 HZ3 TRP 49 3HZ TRP 49 5.095 -24.931 -2.276 349 HH2 TRP 49 HH TRP 49 2.954 -23.854 -2.741 350 H CYS 50 H CYS 50 5.569 -23.657 1.693 351 HA CYS 50 HA CYS 50 7.911 -24.336 0.288 352 HB2 CYS 50 1HB CYS 50 5.911 -23.178 -0.680 353 HB3 CYS 50 2HB CYS 50 6.411 -21.714 0.157 354 HG CYS 50 HG CYS 50 7.626 -20.900 -1.956 355 HA PRO 51 HA PRO 51 10.990 -22.276 2.694 356 HB2 PRO 51 1HB PRO 51 12.990 -22.354 0.861 357 HB3 PRO 51 2HB PRO 51 12.473 -23.773 1.779 358 HG2 PRO 51 1HG PRO 51 11.767 -22.965 -1.015 359 HG3 PRO 51 2HG PRO 51 12.192 -24.568 -0.388 360 HD2 PRO 51 1HD PRO 51 9.632 -23.817 -0.853 361 HD3 PRO 51 2HD PRO 51 10.076 -24.939 0.449 362 H ASP 52 H ASP 52 10.800 -21.326 -0.742 363 HA ASP 52 HA ASP 52 11.966 -18.818 -0.515 364 HB2 ASP 52 1HB ASP 52 9.794 -19.747 -2.404 365 HB3 ASP 52 2HB ASP 52 10.704 -18.251 -2.593 366 H CYS 53 H CYS 53 8.666 -19.837 0.121 367 HA CYS 53 HA CYS 53 7.548 -17.244 0.356 368 HB2 CYS 53 1HB CYS 53 6.447 -19.658 0.180 369 HB3 CYS 53 2HB CYS 53 6.433 -19.515 1.934 370 HG CYS 53 HG CYS 53 4.096 -18.613 0.093 371 H VAL 54 H VAL 54 9.467 -19.189 2.456 372 HA VAL 54 HA VAL 54 8.719 -17.775 4.866 373 HB VAL 54 HB VAL 54 10.865 -19.823 4.313 374 HG11 VAL 54 1HG1 VAL 54 11.645 -18.328 6.060 375 HG12 VAL 54 2HG1 VAL 54 10.123 -18.522 6.932 376 HG13 VAL 54 3HG1 VAL 54 11.214 -19.895 6.744 377 HG21 VAL 54 1HG2 VAL 54 8.163 -20.141 4.637 378 HG22 VAL 54 2HG2 VAL 54 9.381 -21.382 4.934 379 HG23 VAL 54 3HG2 VAL 54 8.776 -20.403 6.270 380 H GLU 55 H GLU 55 11.265 -17.673 2.468 381 HA GLU 55 HA GLU 55 12.873 -15.820 4.008 382 HB2 GLU 55 1HB GLU 55 14.184 -15.746 1.782 383 HB3 GLU 55 2HB GLU 55 14.207 -17.231 2.722 384 HG2 GLU 55 1HG GLU 55 12.617 -18.259 1.272 385 HG3 GLU 55 2HG GLU 55 12.338 -16.742 0.418 386 H ALA 56 H ALA 56 10.264 -15.662 1.837 387 HA ALA 56 HA ALA 56 10.877 -12.980 0.897 388 HB1 ALA 56 1HB ALA 56 8.200 -14.086 0.385 389 HB2 ALA 56 2HB ALA 56 9.348 -13.327 -0.718 390 HB3 ALA 56 3HB ALA 56 9.546 -15.021 -0.268 391 H GLU 57 H GLU 57 8.694 -14.593 3.141 392 HA GLU 57 HA GLU 57 6.878 -12.646 3.739 393 HB2 GLU 57 1HB GLU 57 7.487 -15.043 4.827 394 HB3 GLU 57 2HB GLU 57 8.070 -13.978 6.098 395 HG2 GLU 57 1HG GLU 57 5.342 -13.558 4.978 396 HG3 GLU 57 2HG GLU 57 5.621 -14.866 6.127 397 HA PRO 58 HA PRO 58 10.013 -10.621 6.834 398 HB2 PRO 58 1HB PRO 58 12.626 -11.281 6.512 399 HB3 PRO 58 2HB PRO 58 11.536 -12.169 7.583 400 HG2 PRO 58 1HG PRO 58 12.420 -12.838 4.803 401 HG3 PRO 58 2HG PRO 58 12.258 -13.902 6.212 402 HD2 PRO 58 1HD PRO 58 10.391 -13.782 4.254 403 HD3 PRO 58 2HD PRO 58 9.977 -14.111 5.949 404 H VAL 59 H VAL 59 10.511 -11.131 3.483 405 HA VAL 59 HA VAL 59 12.104 -8.710 3.150 406 HB VAL 59 HB VAL 59 11.082 -10.606 1.032 407 HG11 VAL 59 1HG1 VAL 59 11.630 -8.799 -0.222 408 HG12 VAL 59 2HG1 VAL 59 12.730 -8.149 0.996 409 HG13 VAL 59 3HG1 VAL 59 13.250 -9.473 -0.047 410 HG21 VAL 59 1HG2 VAL 59 12.958 -11.880 1.234 411 HG22 VAL 59 2HG2 VAL 59 13.936 -10.545 1.844 412 HG23 VAL 59 3HG2 VAL 59 12.798 -11.364 2.913 413 H ILE 60 H ILE 60 8.856 -9.898 2.664 414 HA ILE 60 HA ILE 60 8.027 -7.578 1.149 415 HB ILE 60 HB ILE 60 6.374 -9.809 2.339 416 HG12 ILE 60 1HG1 ILE 60 7.531 -9.368 -0.416 417 HG13 ILE 60 2HG1 ILE 60 7.831 -10.719 0.672 418 HG21 ILE 60 1HG2 ILE 60 5.228 -8.415 0.082 419 HG22 ILE 60 2HG2 ILE 60 4.535 -8.754 1.667 420 HG23 ILE 60 3HG2 ILE 60 5.537 -7.322 1.431 421 HD11 ILE 60 1HD1 ILE 60 5.142 -10.874 0.358 422 HD12 ILE 60 2HD1 ILE 60 5.650 -10.269 -1.219 423 HD13 ILE 60 3HD1 ILE 60 6.325 -11.773 -0.592 424 H ARG 61 H ARG 61 7.434 -8.904 4.392 425 HA ARG 61 HA ARG 61 5.704 -6.912 5.308 426 HB2 ARG 61 1HB ARG 61 6.534 -9.197 6.367 427 HB3 ARG 61 2HB ARG 61 7.663 -8.134 7.197 428 HG2 ARG 61 1HG ARG 61 6.042 -7.161 8.458 429 HG3 ARG 61 2HG ARG 61 4.798 -7.379 7.226 430 HD2 ARG 61 1HD ARG 61 5.942 -9.806 8.502 431 HD3 ARG 61 2HD ARG 61 4.841 -8.813 9.456 432 HE ARG 61 HE ARG 61 3.774 -9.375 6.880 433 HH11 ARG 61 2HH1 ARG 61 4.300 -10.747 10.036 434 HH12 ARG 61 1HH1 ARG 61 2.972 -11.853 9.920 435 HH21 ARG 61 2HH2 ARG 61 2.022 -10.827 6.715 436 HH22 ARG 61 1HH2 ARG 61 1.677 -11.898 8.030 437 H GLU 62 H GLU 62 9.183 -6.972 5.012 438 HA GLU 62 HA GLU 62 9.811 -4.822 6.707 439 HB2 GLU 62 1HB GLU 62 11.164 -6.068 4.339 440 HB3 GLU 62 2HB GLU 62 11.818 -4.603 5.057 441 HG2 GLU 62 1HG GLU 62 11.207 -6.930 6.810 442 HG3 GLU 62 2HG GLU 62 12.659 -6.956 5.811 443 H GLY 63 H GLY 63 9.411 -4.847 3.158 444 HA2 GLY 63 1HA GLY 63 9.645 -2.095 2.762 445 HA3 GLY 63 2HA GLY 63 8.773 -3.193 1.701 446 H LEU 64 H LEU 64 6.856 -4.008 3.720 447 HA LEU 64 HA LEU 64 4.821 -2.183 3.243 448 HB2 LEU 64 1HB LEU 64 5.220 -4.395 5.196 449 HB3 LEU 64 2HB LEU 64 3.843 -3.317 5.412 450 HG LEU 64 HG LEU 64 4.369 -4.853 2.873 451 HD11 LEU 64 1HD1 LEU 64 3.289 -6.657 3.659 452 HD12 LEU 64 2HD1 LEU 64 2.176 -5.698 4.635 453 HD13 LEU 64 3HD1 LEU 64 3.798 -6.047 5.234 454 HD21 LEU 64 1HD2 LEU 64 1.713 -3.848 3.772 455 HD22 LEU 64 2HD2 LEU 64 2.329 -4.110 2.140 456 HD23 LEU 64 3HD2 LEU 64 2.863 -2.709 3.071 457 H LYS 65 H LYS 65 7.407 -1.974 5.441 458 HA LYS 65 HA LYS 65 6.064 -0.153 7.258 459 HB2 LYS 65 1HB LYS 65 8.908 -1.155 7.101 460 HB3 LYS 65 2HB LYS 65 8.356 0.004 8.302 461 HG2 LYS 65 1HG LYS 65 6.636 -1.719 8.984 462 HG3 LYS 65 2HG LYS 65 7.525 -2.862 7.974 463 HD2 LYS 65 1HD LYS 65 8.519 -3.236 10.009 464 HD3 LYS 65 2HD LYS 65 9.582 -1.987 9.356 465 HE2 LYS 65 1HE LYS 65 8.651 -0.325 10.706 466 HE3 LYS 65 2HE LYS 65 7.202 -1.274 11.034 467 HZ1 LYS 65 1HZ LYS 65 8.644 -1.228 12.955 468 HZ2 LYS 65 2HZ LYS 65 9.932 -1.851 12.053 469 HZ3 LYS 65 3HZ LYS 65 8.563 -2.802 12.341 470 H HIS 66 H HIS 66 8.261 -0.043 4.543 471 HA HIS 66 HA HIS 66 8.736 2.810 4.888 472 HB2 HIS 66 1HB HIS 66 9.674 0.999 2.656 473 HB3 HIS 66 2HB HIS 66 10.277 2.609 3.036 474 HD1 HIS 66 1HD HIS 66 12.177 2.754 4.658 475 HD2 HIS 66 2HD HIS 66 10.370 -0.987 4.659 476 HE1 HIS 66 1HE HIS 66 13.634 1.303 6.106 477 HE2 HIS 66 2HE HIS 66 12.568 -0.977 6.022 478 H VAL 67 H VAL 67 6.107 1.396 4.064 479 HA VAL 67 HA VAL 67 5.523 2.210 1.416 480 HB VAL 67 HB VAL 67 4.245 0.514 2.830 481 HG11 VAL 67 1HG1 VAL 67 2.316 1.453 4.081 482 HG12 VAL 67 2HG1 VAL 67 3.879 1.824 4.812 483 HG13 VAL 67 3HG1 VAL 67 3.021 3.058 3.887 484 HG21 VAL 67 1HG2 VAL 67 2.838 2.634 1.222 485 HG22 VAL 67 2HG2 VAL 67 3.435 1.070 0.667 486 HG23 VAL 67 3HG2 VAL 67 2.054 1.149 1.761 487 H THR 68 H THR 68 4.572 4.032 0.610 488 HA THR 68 HA THR 68 4.361 6.309 2.468 489 HB THR 68 HB THR 68 6.093 6.393 0.585 490 HG1 THR 68 1HG THR 68 4.951 8.232 1.770 491 HG21 THR 68 1HG2 THR 68 3.797 5.819 -0.961 492 HG22 THR 68 2HG2 THR 68 5.437 6.135 -1.528 493 HG23 THR 68 3HG2 THR 68 4.290 7.464 -1.359 494 H GLU 69 H GLU 69 2.206 4.529 2.182 495 HA GLU 69 HA GLU 69 0.136 6.360 1.464 496 HB2 GLU 69 1HB GLU 69 -0.853 5.208 -0.364 497 HB3 GLU 69 2HB GLU 69 0.846 5.410 -0.764 498 HG2 GLU 69 1HG GLU 69 1.122 3.042 0.225 499 HG3 GLU 69 2HG GLU 69 -0.625 2.929 0.013 500 H ASP 70 H ASP 70 -1.479 6.021 2.834 501 HA ASP 70 HA ASP 70 -1.508 3.968 4.718 502 HB2 ASP 70 1HB ASP 70 -3.965 4.694 5.020 503 HB3 ASP 70 2HB ASP 70 -2.708 5.895 5.303 504 H CYS 71 H CYS 71 -1.474 1.902 3.986 505 HA CYS 71 HA CYS 71 -3.769 1.040 2.352 506 HB2 CYS 71 1HB CYS 71 -2.410 -0.572 1.246 507 HB3 CYS 71 2HB CYS 71 -1.521 0.946 1.196 508 HG CYS 71 HG CYS 71 0.521 0.235 2.680 509 H VAL 72 H VAL 72 -4.091 -1.432 2.590 510 HA VAL 72 HA VAL 72 -3.753 -2.190 5.418 511 HB VAL 72 HB VAL 72 -6.222 -2.629 3.731 512 HG11 VAL 72 1HG1 VAL 72 -7.150 -3.453 5.944 513 HG12 VAL 72 2HG1 VAL 72 -6.005 -4.519 5.126 514 HG13 VAL 72 3HG1 VAL 72 -5.479 -3.543 6.498 515 HG21 VAL 72 1HG2 VAL 72 -6.910 -1.274 6.048 516 HG22 VAL 72 2HG2 VAL 72 -5.409 -0.507 5.531 517 HG23 VAL 72 3HG2 VAL 72 -6.783 -0.587 4.429 518 H PHE 73 H PHE 73 -2.179 -3.698 5.202 519 HA PHE 73 HA PHE 73 -1.949 -5.520 3.064 520 HB2 PHE 73 1HB PHE 73 -0.121 -4.854 4.673 521 HB3 PHE 73 2HB PHE 73 -0.875 -5.913 5.860 522 HD1 PHE 73 2HD PHE 73 0.169 -6.096 2.278 523 HD2 PHE 73 1HD PHE 73 0.082 -7.974 6.097 524 HE1 PHE 73 2HE PHE 73 1.422 -8.006 1.364 525 HE2 PHE 73 1HE PHE 73 1.336 -9.886 5.189 526 HZ PHE 73 HZ PHE 73 2.006 -9.904 2.819 527 H ILE 74 H ILE 74 -2.366 -7.758 2.977 528 HA ILE 74 HA ILE 74 -4.115 -8.886 5.028 529 HB ILE 74 HB ILE 74 -4.862 -8.822 2.102 530 HG12 ILE 74 1HG1 ILE 74 -6.233 -7.573 4.493 531 HG13 ILE 74 2HG1 ILE 74 -5.260 -6.694 3.319 532 HG21 ILE 74 1HG2 ILE 74 -6.810 -10.078 2.694 533 HG22 ILE 74 2HG2 ILE 74 -5.398 -10.942 3.299 534 HG23 ILE 74 3HG2 ILE 74 -6.398 -10.005 4.407 535 HD11 ILE 74 1HD1 ILE 74 -7.128 -6.351 2.185 536 HD12 ILE 74 2HD1 ILE 74 -7.130 -8.072 1.798 537 HD13 ILE 74 3HD1 ILE 74 -8.024 -7.482 3.199 538 H TYR 75 H TYR 75 -3.083 -10.677 5.608 539 HA TYR 75 HA TYR 75 -1.430 -12.131 3.729 540 HB2 TYR 75 1HB TYR 75 -0.892 -11.696 6.206 541 HB3 TYR 75 2HB TYR 75 -2.046 -12.979 6.553 542 HD1 TYR 75 1HD TYR 75 -1.610 -15.285 5.632 543 HD2 TYR 75 2HD TYR 75 1.313 -12.195 5.528 544 HE1 TYR 75 1HE TYR 75 0.150 -16.969 5.284 545 HE2 TYR 75 2HE TYR 75 3.080 -13.869 5.178 546 HH TYR 75 HH TYR 75 3.460 -16.048 4.582 547 H CYS 76 H CYS 76 -2.918 -12.976 2.255 548 HA CYS 76 HA CYS 76 -5.036 -14.713 3.221 549 HB2 CYS 76 1HB CYS 76 -5.450 -13.209 1.309 550 HB3 CYS 76 2HB CYS 76 -4.202 -14.043 0.391 551 HG CYS 76 HG CYS 76 -5.549 -16.361 0.021 552 H GLN 77 H GLN 77 -4.906 -16.858 3.383 553 HA GLN 77 HA GLN 77 -2.444 -18.162 2.491 554 HB2 GLN 77 1HB GLN 77 -4.620 -19.125 4.355 555 HB3 GLN 77 2HB GLN 77 -3.157 -20.018 3.964 556 HG2 GLN 77 1HG GLN 77 -1.792 -18.326 4.998 557 HG3 GLN 77 2HG GLN 77 -3.208 -17.317 5.288 558 HE21 GLN 77 1HE2 GLN 77 -3.830 -17.347 7.313 559 HE22 GLN 77 2HE2 GLN 77 -3.749 -18.694 8.391 560 H VAL 78 H VAL 78 -2.490 -19.077 0.553 561 HA VAL 78 HA VAL 78 -4.765 -19.613 -0.963 562 HB VAL 78 HB VAL 78 -3.306 -20.992 -2.400 563 HG11 VAL 78 1HG1 VAL 78 -3.326 -18.404 -2.301 564 HG12 VAL 78 2HG1 VAL 78 -1.714 -18.586 -1.606 565 HG13 VAL 78 3HG1 VAL 78 -2.058 -19.219 -3.217 566 HG21 VAL 78 1HG2 VAL 78 -1.912 -22.158 -0.924 567 HG22 VAL 78 2HG2 VAL 78 -0.836 -21.013 -1.724 568 HG23 VAL 78 3HG2 VAL 78 -1.413 -20.686 -0.090 569 H GLY 79 H GLY 79 -2.723 -21.901 0.861 570 HA2 GLY 79 1HA GLY 79 -4.538 -23.439 2.085 571 HA3 GLY 79 2HA GLY 79 -4.654 -24.030 0.434 572 H ASP 80 H ASP 80 -3.966 -26.090 1.249 573 HA ASP 80 HA ASP 80 -1.460 -26.466 2.517 574 HB2 ASP 80 1HB ASP 80 -2.825 -28.558 0.838 575 HB3 ASP 80 2HB ASP 80 -1.846 -28.777 2.286 576 H LYS 81 H LYS 81 0.266 -27.895 1.488 577 HA LYS 81 HA LYS 81 1.525 -26.520 -0.570 578 HB2 LYS 81 1HB LYS 81 3.031 -27.812 0.561 579 HB3 LYS 81 2HB LYS 81 1.904 -29.149 0.753 580 HG2 LYS 81 1HG LYS 81 2.440 -30.076 -1.273 581 HG3 LYS 81 2HG LYS 81 2.958 -28.536 -1.963 582 HD2 LYS 81 1HD LYS 81 4.822 -28.711 -0.115 583 HD3 LYS 81 2HD LYS 81 4.443 -30.433 -0.205 584 HE2 LYS 81 1HE LYS 81 4.657 -29.985 -2.797 585 HE3 LYS 81 2HE LYS 81 5.649 -28.634 -2.249 586 HZ1 LYS 81 1HZ LYS 81 6.416 -31.278 -2.524 587 HZ2 LYS 81 2HZ LYS 81 6.359 -30.990 -0.859 588 HZ3 LYS 81 3HZ LYS 81 7.318 -30.013 -1.853 589 HA PRO 82 HA PRO 82 0.055 -29.946 -3.645 590 HB2 PRO 82 1HB PRO 82 -1.859 -31.662 -2.772 591 HB3 PRO 82 2HB PRO 82 -0.130 -31.973 -2.579 592 HG2 PRO 82 1HG PRO 82 -2.094 -30.898 -0.592 593 HG3 PRO 82 2HG PRO 82 -0.815 -32.104 -0.361 594 HD2 PRO 82 1HD PRO 82 -0.530 -29.518 0.389 595 HD3 PRO 82 2HD PRO 82 0.834 -30.505 -0.174 596 H TYR 83 H TYR 83 -2.035 -28.241 -1.506 597 HA TYR 83 HA TYR 83 -4.381 -28.326 -3.141 598 HB2 TYR 83 1HB TYR 83 -4.730 -27.916 -0.829 599 HB3 TYR 83 2HB TYR 83 -3.547 -26.612 -0.804 600 HD1 TYR 83 2HD TYR 83 -4.102 -24.529 -2.251 601 HD2 TYR 83 1HD TYR 83 -6.989 -27.421 -1.068 602 HE1 TYR 83 2HE TYR 83 -5.894 -22.890 -2.640 603 HE2 TYR 83 1HE TYR 83 -8.790 -25.791 -1.456 604 HH TYR 83 HH TYR 83 -8.589 -22.804 -1.496 605 H TRP 84 H TRP 84 -1.663 -26.121 -2.761 606 HA TRP 84 HA TRP 84 -2.640 -23.959 -4.236 607 HB2 TRP 84 1HB TRP 84 -0.671 -23.570 -3.009 608 HB3 TRP 84 2HB TRP 84 0.138 -24.978 -3.693 609 HD1 TRP 84 HD TRP 84 2.159 -23.969 -4.927 610 HE1 TRP 84 1HE TRP 84 2.481 -22.177 -6.746 611 HE3 TRP 84 3HE TRP 84 -2.623 -22.176 -5.153 612 HZ2 TRP 84 2HZ TRP 84 0.915 -20.256 -8.097 613 HZ3 TRP 84 3HZ TRP 84 -3.128 -20.360 -6.735 614 HH2 TRP 84 HH TRP 84 -1.394 -19.421 -8.175 615 H LYS 85 H LYS 85 -0.869 -26.842 -5.289 616 HA LYS 85 HA LYS 85 -0.417 -26.225 -7.933 617 HB2 LYS 85 1HB LYS 85 -1.270 -28.919 -6.856 618 HB3 LYS 85 2HB LYS 85 -0.421 -28.630 -8.369 619 HG2 LYS 85 1HG LYS 85 1.411 -27.578 -6.926 620 HG3 LYS 85 2HG LYS 85 0.600 -28.357 -5.565 621 HD2 LYS 85 1HD LYS 85 0.858 -30.530 -6.640 622 HD3 LYS 85 2HD LYS 85 1.626 -29.763 -8.032 623 HE2 LYS 85 1HE LYS 85 3.516 -29.130 -6.753 624 HE3 LYS 85 2HE LYS 85 2.708 -29.520 -5.236 625 HZ1 LYS 85 1HZ LYS 85 4.421 -31.155 -6.320 626 HZ2 LYS 85 2HZ LYS 85 3.070 -31.659 -7.203 627 HZ3 LYS 85 3HZ LYS 85 3.054 -31.740 -5.514 628 H ASP 86 H ASP 86 -3.374 -27.490 -6.460 629 HA ASP 86 HA ASP 86 -4.955 -28.168 -8.515 630 HB2 ASP 86 1HB ASP 86 -5.998 -26.197 -6.491 631 HB3 ASP 86 2HB ASP 86 -6.842 -27.548 -7.243 632 HA PRO 87 HA PRO 87 -4.471 -24.459 -11.074 633 HB2 PRO 87 1HB PRO 87 -5.222 -25.694 -13.372 634 HB3 PRO 87 2HB PRO 87 -3.587 -25.807 -12.711 635 HG2 PRO 87 1HG PRO 87 -5.850 -27.757 -12.510 636 HG3 PRO 87 2HG PRO 87 -4.133 -28.064 -12.830 637 HD2 PRO 87 1HD PRO 87 -5.247 -28.424 -10.388 638 HD3 PRO 87 2HD PRO 87 -3.561 -27.911 -10.602 639 H ASN 88 H ASN 88 -7.146 -26.326 -10.162 640 HA ASN 88 HA ASN 88 -9.038 -24.648 -11.642 641 HB2 ASN 88 1HB ASN 88 -9.304 -27.260 -10.172 642 HB3 ASN 88 2HB ASN 88 -10.722 -26.304 -10.591 643 HD21 ASN 88 1HD2 ASN 88 -8.203 -28.343 -11.746 644 HD22 ASN 88 2HD2 ASN 88 -8.764 -28.479 -13.374 645 H ASN 89 H ASN 89 -7.416 -23.767 -9.304 646 HA ASN 89 HA ASN 89 -9.333 -23.451 -7.161 647 HB2 ASN 89 1HB ASN 89 -6.470 -22.691 -7.587 648 HB3 ASN 89 2HB ASN 89 -7.393 -21.874 -6.329 649 HD21 ASN 89 1HD2 ASN 89 -5.146 -23.502 -5.881 650 HD22 ASN 89 2HD2 ASN 89 -5.655 -24.877 -4.966 651 H ASP 90 H ASP 90 -10.015 -21.376 -6.355 652 HA ASP 90 HA ASP 90 -10.970 -19.663 -8.405 653 HB2 ASP 90 1HB ASP 90 -10.892 -19.170 -5.420 654 HB3 ASP 90 2HB ASP 90 -11.896 -18.318 -6.590 655 H PHE 91 H PHE 91 -8.003 -19.836 -6.814 656 HA PHE 91 HA PHE 91 -7.369 -17.031 -6.881 657 HB2 PHE 91 1HB PHE 91 -5.658 -19.483 -6.436 658 HB3 PHE 91 2HB PHE 91 -5.050 -17.833 -6.342 659 HD1 PHE 91 2HD PHE 91 -5.675 -16.378 -4.506 660 HD2 PHE 91 1HD PHE 91 -7.086 -20.388 -4.721 661 HE1 PHE 91 2HE PHE 91 -6.352 -16.263 -2.144 662 HE2 PHE 91 1HE PHE 91 -7.766 -20.279 -2.359 663 HZ PHE 91 HZ PHE 91 -7.398 -18.215 -1.067 664 H ARG 92 H ARG 92 -6.572 -19.879 -8.829 665 HA ARG 92 HA ARG 92 -5.073 -18.260 -10.721 666 HB2 ARG 92 1HB ARG 92 -5.757 -21.195 -10.914 667 HB3 ARG 92 2HB ARG 92 -4.509 -20.331 -11.803 668 HG2 ARG 92 1HG ARG 92 -3.119 -20.176 -9.950 669 HG3 ARG 92 2HG ARG 92 -4.438 -20.471 -8.816 670 HD2 ARG 92 1HD ARG 92 -4.397 -22.737 -9.146 671 HD3 ARG 92 2HD ARG 92 -3.769 -22.594 -10.787 672 HE ARG 92 HE ARG 92 -2.246 -22.779 -8.354 673 HH11 ARG 92 2HH1 ARG 92 -2.237 -21.724 -11.672 674 HH12 ARG 92 1HH1 ARG 92 -0.514 -21.801 -11.828 675 HH21 ARG 92 2HH2 ARG 92 0.025 -22.883 -8.547 676 HH22 ARG 92 1HH2 ARG 92 0.772 -22.461 -10.050 677 H GLN 93 H GLN 93 -8.272 -19.084 -10.218 678 HA GLN 93 HA GLN 93 -8.958 -19.017 -13.065 679 HB2 GLN 93 1HB GLN 93 -10.707 -19.570 -10.661 680 HB3 GLN 93 2HB GLN 93 -11.211 -19.676 -12.343 681 HG2 GLN 93 1HG GLN 93 -8.882 -21.293 -11.453 682 HG3 GLN 93 2HG GLN 93 -10.502 -21.806 -10.984 683 HE21 GLN 93 1HE2 GLN 93 -8.376 -22.810 -12.917 684 HE22 GLN 93 2HE2 GLN 93 -9.252 -23.095 -14.379 685 H LYS 94 H LYS 94 -9.738 -17.383 -10.011 686 HA LYS 94 HA LYS 94 -11.047 -15.229 -11.495 687 HB2 LYS 94 1HB LYS 94 -10.840 -15.677 -8.512 688 HB3 LYS 94 2HB LYS 94 -11.805 -14.438 -9.304 689 HG2 LYS 94 1HG LYS 94 -12.859 -16.533 -10.515 690 HG3 LYS 94 2HG LYS 94 -12.284 -17.356 -9.064 691 HD2 LYS 94 1HD LYS 94 -13.831 -14.812 -8.807 692 HD3 LYS 94 2HD LYS 94 -14.684 -16.324 -9.127 693 HE2 LYS 94 1HE LYS 94 -13.686 -17.320 -7.139 694 HE3 LYS 94 2HE LYS 94 -12.789 -15.834 -6.830 695 HZ1 LYS 94 1HZ LYS 94 -14.879 -16.124 -5.513 696 HZ2 LYS 94 2HZ LYS 94 -15.749 -15.938 -6.951 697 HZ3 LYS 94 3HZ LYS 94 -14.782 -14.674 -6.380 698 H LEU 95 H LEU 95 -8.587 -15.586 -8.938 699 HA LEU 95 HA LEU 95 -7.661 -12.887 -9.290 700 HB2 LEU 95 1HB LEU 95 -6.699 -15.220 -7.659 701 HB3 LEU 95 2HB LEU 95 -5.816 -13.696 -7.729 702 HG LEU 95 HG LEU 95 -8.640 -14.038 -6.718 703 HD11 LEU 95 1HD1 LEU 95 -7.534 -14.886 -4.947 704 HD12 LEU 95 2HD1 LEU 95 -7.210 -13.187 -4.605 705 HD13 LEU 95 3HD1 LEU 95 -5.995 -14.169 -5.423 706 HD21 LEU 95 1HD2 LEU 95 -8.049 -11.685 -5.805 707 HD22 LEU 95 2HD2 LEU 95 -8.560 -11.856 -7.484 708 HD23 LEU 95 3HD2 LEU 95 -6.849 -11.672 -7.097 709 H LYS 96 H LYS 96 -7.065 -15.853 -10.815 710 HA LYS 96 HA LYS 96 -5.489 -16.602 -12.285 711 HB2 LYS 96 1HB LYS 96 -5.815 -13.699 -12.847 712 HB3 LYS 96 2HB LYS 96 -4.481 -14.529 -13.636 713 HG2 LYS 96 1HG LYS 96 -6.133 -14.765 -15.199 714 HG3 LYS 96 2HG LYS 96 -6.326 -16.261 -14.283 715 HD2 LYS 96 1HD LYS 96 -8.504 -15.534 -14.386 716 HD3 LYS 96 2HD LYS 96 -7.987 -14.809 -12.862 717 HE2 LYS 96 1HE LYS 96 -9.076 -13.071 -13.977 718 HE3 LYS 96 2HE LYS 96 -7.366 -12.760 -14.271 719 HZ1 LYS 96 1HZ LYS 96 -8.448 -14.439 -16.286 720 HZ2 LYS 96 2HZ LYS 96 -7.687 -12.936 -16.443 721 HZ3 LYS 96 3HZ LYS 96 -9.353 -13.015 -16.161 722 H ILE 97 H ILE 97 -4.413 -16.627 -9.845 723 HA ILE 97 HA ILE 97 -2.082 -15.080 -9.480 724 HB ILE 97 HB ILE 97 -2.735 -17.812 -8.369 725 HG12 ILE 97 1HG1 ILE 97 -4.423 -16.287 -7.664 726 HG13 ILE 97 2HG1 ILE 97 -3.303 -16.436 -6.314 727 HG21 ILE 97 1HG2 ILE 97 -0.993 -16.054 -6.820 728 HG22 ILE 97 2HG2 ILE 97 -0.840 -17.773 -7.181 729 HG23 ILE 97 3HG2 ILE 97 -0.295 -16.574 -8.354 730 HD11 ILE 97 1HD1 ILE 97 -3.652 -14.175 -6.381 731 HD12 ILE 97 2HD1 ILE 97 -2.203 -14.325 -7.375 732 HD13 ILE 97 3HD1 ILE 97 -3.781 -14.135 -8.139 733 H THR 98 H THR 98 -0.024 -15.331 -10.145 734 HA THR 98 HA THR 98 0.497 -17.200 -12.276 735 HB THR 98 HB THR 98 2.416 -15.266 -10.966 736 HG1 THR 98 1HG THR 98 0.389 -14.432 -12.040 737 HG21 THR 98 1HG2 THR 98 2.912 -15.737 -13.734 738 HG22 THR 98 2HG2 THR 98 2.793 -17.293 -12.911 739 HG23 THR 98 3HG2 THR 98 3.951 -16.086 -12.353 740 H ALA 99 H ALA 99 2.408 -16.438 -9.362 741 HA ALA 99 HA ALA 99 2.610 -19.242 -8.677 742 HB1 ALA 99 1HB ALA 99 4.981 -19.436 -8.872 743 HB2 ALA 99 2HB ALA 99 4.357 -18.884 -10.428 744 HB3 ALA 99 3HB ALA 99 5.137 -17.741 -9.335 745 H VAL 100 H VAL 100 2.546 -19.393 -6.538 746 HA VAL 100 HA VAL 100 2.812 -17.059 -4.888 747 HB VAL 100 HB VAL 100 2.257 -18.529 -3.020 748 HG11 VAL 100 1HG1 VAL 100 0.076 -18.613 -3.565 749 HG12 VAL 100 2HG1 VAL 100 0.609 -17.815 -5.047 750 HG13 VAL 100 3HG1 VAL 100 0.369 -19.562 -5.022 751 HG21 VAL 100 1HG2 VAL 100 2.725 -20.689 -5.049 752 HG22 VAL 100 2HG2 VAL 100 3.395 -20.530 -3.425 753 HG23 VAL 100 3HG2 VAL 100 1.698 -20.958 -3.641 754 HA PRO 101 HA PRO 101 3.144 -16.701 -2.649 755 HB2 PRO 101 1HB PRO 101 4.731 -14.665 -1.810 756 HB3 PRO 101 2HB PRO 101 4.598 -16.199 -0.943 757 HG2 PRO 101 1HG PRO 101 6.718 -15.277 -2.844 758 HG3 PRO 101 2HG PRO 101 6.894 -16.136 -1.303 759 HD2 PRO 101 1HD PRO 101 7.045 -17.393 -3.697 760 HD3 PRO 101 2HD PRO 101 6.402 -18.182 -2.243 761 H THR 102 H THR 102 1.865 -15.210 -3.566 762 HA THR 102 HA THR 102 3.007 -13.537 -5.708 763 HB THR 102 HB THR 102 0.190 -14.617 -5.489 764 HG1 THR 102 1HG THR 102 2.471 -15.352 -6.976 765 HG21 THR 102 1HG2 THR 102 1.387 -13.115 -7.808 766 HG22 THR 102 2HG2 THR 102 0.485 -12.310 -6.524 767 HG23 THR 102 3HG2 THR 102 -0.304 -13.527 -7.527 768 H LEU 103 H LEU 103 3.156 -11.480 -5.121 769 HA LEU 103 HA LEU 103 1.296 -10.413 -3.127 770 HB2 LEU 103 1HB LEU 103 3.667 -10.112 -2.684 771 HB3 LEU 103 2HB LEU 103 3.870 -9.300 -4.235 772 HG LEU 103 HG LEU 103 2.314 -7.512 -3.373 773 HD11 LEU 103 1HD1 LEU 103 2.660 -7.676 -0.658 774 HD12 LEU 103 2HD1 LEU 103 2.292 -9.342 -1.104 775 HD13 LEU 103 3HD1 LEU 103 1.173 -8.047 -1.532 776 HD21 LEU 103 1HD2 LEU 103 5.050 -7.898 -3.021 777 HD22 LEU 103 2HD2 LEU 103 4.467 -7.320 -1.460 778 HD23 LEU 103 3HD2 LEU 103 4.169 -6.374 -2.919 779 H LEU 104 H LEU 104 -0.540 -9.882 -4.217 780 HA LEU 104 HA LEU 104 -0.326 -8.258 -6.640 781 HB2 LEU 104 1HB LEU 104 -1.870 -9.928 -7.019 782 HB3 LEU 104 2HB LEU 104 -2.488 -9.872 -5.370 783 HG LEU 104 HG LEU 104 -3.548 -7.664 -5.955 784 HD11 LEU 104 1HD1 LEU 104 -3.646 -6.885 -8.123 785 HD12 LEU 104 2HD1 LEU 104 -3.224 -8.449 -8.819 786 HD13 LEU 104 3HD1 LEU 104 -1.987 -7.476 -8.025 787 HD21 LEU 104 1HD2 LEU 104 -4.524 -10.134 -6.125 788 HD22 LEU 104 2HD2 LEU 104 -4.672 -9.674 -7.821 789 HD23 LEU 104 3HD2 LEU 104 -5.466 -8.712 -6.573 790 H LYS 105 H LYS 105 -0.781 -6.143 -6.698 791 HA LYS 105 HA LYS 105 -1.500 -4.835 -4.187 792 HB2 LYS 105 1HB LYS 105 0.458 -3.974 -5.341 793 HB3 LYS 105 2HB LYS 105 -0.481 -3.720 -6.806 794 HG2 LYS 105 1HG LYS 105 -1.775 -1.997 -5.740 795 HG3 LYS 105 2HG LYS 105 -0.990 -2.316 -4.192 796 HD2 LYS 105 1HD LYS 105 1.155 -1.623 -5.128 797 HD3 LYS 105 2HD LYS 105 0.390 -1.336 -6.692 798 HE2 LYS 105 1HE LYS 105 -0.709 0.035 -4.288 799 HE3 LYS 105 2HE LYS 105 0.800 0.627 -4.980 800 HZ1 LYS 105 1HZ LYS 105 -1.754 0.299 -6.461 801 HZ2 LYS 105 2HZ LYS 105 -0.308 0.902 -7.100 802 HZ3 LYS 105 3HZ LYS 105 -1.129 1.768 -5.900 803 H TYR 106 H TYR 106 -3.706 -5.173 -4.042 804 HA TYR 106 HA TYR 106 -5.639 -5.052 -5.959 805 HB2 TYR 106 1HB TYR 106 -5.755 -5.372 -3.334 806 HB3 TYR 106 2HB TYR 106 -6.208 -3.672 -3.372 807 HD1 TYR 106 2HD TYR 106 -7.064 -6.717 -5.376 808 HD2 TYR 106 1HD TYR 106 -8.476 -3.327 -3.228 809 HE1 TYR 106 2HE TYR 106 -9.380 -7.353 -5.906 810 HE2 TYR 106 1HE TYR 106 -10.796 -3.954 -3.751 811 HH TYR 106 HH TYR 106 -11.616 -7.000 -5.101 812 H GLY 107 H GLY 107 -5.967 -3.590 -7.496 813 HA2 GLY 107 1HA GLY 107 -6.997 -1.322 -7.772 814 HA3 GLY 107 2HA GLY 107 -5.665 -0.737 -6.787 815 H THR 108 H THR 108 -3.631 -2.354 -7.975 816 HA THR 108 HA THR 108 -3.561 -1.290 -10.720 817 HB THR 108 HB THR 108 -1.121 -0.857 -10.407 818 HG1 THR 108 1HG THR 108 -1.790 -1.441 -7.702 819 HG21 THR 108 1HG2 THR 108 -3.176 0.625 -8.797 820 HG22 THR 108 2HG2 THR 108 -2.428 1.078 -10.328 821 HG23 THR 108 3HG2 THR 108 -1.494 1.154 -8.834 822 HA PRO 109 HA PRO 109 -2.333 -5.319 -11.974 823 HB2 PRO 109 1HB PRO 109 -0.861 -4.722 -14.175 824 HB3 PRO 109 2HB PRO 109 -2.623 -4.591 -14.134 825 HG2 PRO 109 1HG PRO 109 -0.556 -2.447 -13.827 826 HG3 PRO 109 2HG PRO 109 -2.069 -2.419 -14.752 827 HD2 PRO 109 1HD PRO 109 -1.830 -1.266 -12.314 828 HD3 PRO 109 2HD PRO 109 -3.349 -1.986 -12.885 829 H GLN 110 H GLN 110 -0.250 -3.176 -10.577 830 HA GLN 110 HA GLN 110 2.240 -4.495 -11.152 831 HB2 GLN 110 1HB GLN 110 1.371 -2.246 -9.392 832 HB3 GLN 110 2HB GLN 110 2.908 -3.030 -9.055 833 HG2 GLN 110 1HG GLN 110 3.863 -2.313 -11.020 834 HG3 GLN 110 2HG GLN 110 2.308 -2.110 -11.825 835 HE21 GLN 110 1HE2 GLN 110 3.557 -0.906 -8.736 836 HE22 GLN 110 2HE2 GLN 110 3.304 0.767 -9.087 837 H LYS 111 H LYS 111 2.876 -6.340 -10.278 838 HA LYS 111 HA LYS 111 2.181 -6.929 -7.495 839 HB2 LYS 111 1HB LYS 111 1.793 -9.354 -8.254 840 HB3 LYS 111 2HB LYS 111 0.509 -8.188 -8.546 841 HG2 LYS 111 1HG LYS 111 0.568 -9.249 -10.562 842 HG3 LYS 111 2HG LYS 111 1.704 -7.934 -10.869 843 HD2 LYS 111 1HD LYS 111 3.525 -9.320 -10.850 844 HD3 LYS 111 2HD LYS 111 2.770 -10.475 -9.750 845 HE2 LYS 111 1HE LYS 111 1.484 -11.433 -11.476 846 HE3 LYS 111 2HE LYS 111 1.809 -10.090 -12.571 847 HZ1 LYS 111 1HZ LYS 111 3.663 -11.058 -13.276 848 HZ2 LYS 111 2HZ LYS 111 3.166 -12.459 -12.470 849 HZ3 LYS 111 3HZ LYS 111 4.209 -11.369 -11.705 850 H LEU 112 H LEU 112 3.406 -8.993 -6.785 851 HA LEU 112 HA LEU 112 6.045 -9.113 -8.072 852 HB2 LEU 112 1HB LEU 112 5.660 -9.041 -5.089 853 HB3 LEU 112 2HB LEU 112 7.178 -8.984 -5.982 854 HG LEU 112 HG LEU 112 5.087 -6.808 -5.929 855 HD11 LEU 112 1HD1 LEU 112 6.781 -7.433 -3.915 856 HD12 LEU 112 2HD1 LEU 112 6.209 -5.802 -4.263 857 HD13 LEU 112 3HD1 LEU 112 7.782 -6.330 -4.860 858 HD21 LEU 112 1HD2 LEU 112 7.207 -7.353 -7.754 859 HD22 LEU 112 2HD2 LEU 112 7.611 -5.907 -6.829 860 HD23 LEU 112 3HD2 LEU 112 6.093 -5.986 -7.726 861 H VAL 113 H VAL 113 6.611 -11.129 -8.526 862 HA VAL 113 HA VAL 113 5.109 -13.340 -7.389 863 HB VAL 113 HB VAL 113 7.377 -13.792 -9.269 864 HG11 VAL 113 1HG1 VAL 113 4.850 -15.086 -8.485 865 HG12 VAL 113 2HG1 VAL 113 5.270 -15.199 -10.195 866 HG13 VAL 113 3HG1 VAL 113 6.389 -15.797 -8.970 867 HG21 VAL 113 1HG2 VAL 113 6.423 -11.887 -10.311 868 HG22 VAL 113 2HG2 VAL 113 5.797 -13.292 -11.173 869 HG23 VAL 113 3HG2 VAL 113 4.782 -12.452 -10.001 870 H GLU 114 H GLU 114 6.529 -15.406 -7.013 871 HA GLU 114 HA GLU 114 7.750 -15.386 -4.657 872 HB2 GLU 114 1HB GLU 114 9.037 -16.923 -6.905 873 HB3 GLU 114 2HB GLU 114 8.903 -17.380 -5.212 874 HG2 GLU 114 1HG GLU 114 6.387 -17.422 -5.593 875 HG3 GLU 114 2HG GLU 114 6.766 -17.361 -7.313 876 H SER 115 H SER 115 9.752 -15.156 -7.602 877 HA SER 115 HA SER 115 12.124 -14.449 -6.360 878 HB2 SER 115 1HB SER 115 11.169 -13.576 -9.098 879 HB3 SER 115 2HB SER 115 12.843 -13.588 -8.543 880 HG SER 115 HG SER 115 11.568 -15.544 -9.703 881 H GLU 116 H GLU 116 9.545 -12.349 -7.589 882 HA GLU 116 HA GLU 116 10.884 -9.929 -6.857 883 HB2 GLU 116 1HB GLU 116 7.931 -10.260 -7.377 884 HB3 GLU 116 2HB GLU 116 8.899 -8.802 -7.552 885 HG2 GLU 116 1HG GLU 116 10.191 -10.101 -9.338 886 HG3 GLU 116 2HG GLU 116 8.840 -11.232 -9.300 887 H CYS 117 H CYS 117 9.279 -12.281 -5.090 888 HA CYS 117 HA CYS 117 8.249 -10.472 -3.060 889 HB2 CYS 117 1HB CYS 117 8.190 -13.464 -3.408 890 HB3 CYS 117 2HB CYS 117 7.681 -12.697 -1.908 891 HG CYS 117 HG CYS 117 6.264 -12.160 -4.978 892 H CYS 118 H CYS 118 11.114 -12.178 -3.758 893 HA CYS 118 HA CYS 118 12.006 -12.047 -0.964 894 HB2 CYS 118 1HB CYS 118 12.330 -14.221 -1.935 895 HB3 CYS 118 2HB CYS 118 13.108 -13.530 -3.354 896 HG CYS 118 HG CYS 118 14.534 -14.707 -0.738 897 H GLN 119 H GLN 119 12.158 -10.332 -3.830 898 HA GLN 119 HA GLN 119 14.819 -9.241 -3.336 899 HB2 GLN 119 1HB GLN 119 12.882 -9.148 -5.601 900 HB3 GLN 119 2HB GLN 119 14.029 -7.825 -5.438 901 HG2 GLN 119 1HG GLN 119 14.676 -9.772 -6.940 902 HG3 GLN 119 2HG GLN 119 15.867 -9.216 -5.767 903 HE21 GLN 119 1HE2 GLN 119 14.222 -11.858 -6.986 904 HE22 GLN 119 2HE2 GLN 119 14.621 -13.006 -5.758 905 H SER 120 H SER 120 14.467 -8.098 -1.418 906 HA SER 120 HA SER 120 12.462 -6.441 -0.672 907 HB2 SER 120 1HB SER 120 14.513 -4.947 0.215 908 HB3 SER 120 2HB SER 120 14.068 -6.485 0.954 909 HG SER 120 HG SER 120 16.060 -6.085 -1.030 910 H SER 121 H SER 121 15.239 -5.439 -2.667 911 HA SER 121 HA SER 121 14.814 -2.832 -3.103 912 HB2 SER 121 1HB SER 121 16.545 -4.236 -4.245 913 HB3 SER 121 2HB SER 121 15.302 -4.767 -5.378 914 HG SER 121 HG SER 121 16.773 -2.565 -5.479 915 H LEU 122 H LEU 122 12.857 -5.435 -4.432 916 HA LEU 122 HA LEU 122 11.228 -3.647 -6.005 917 HB2 LEU 122 1HB LEU 122 11.074 -6.580 -5.368 918 HB3 LEU 122 2HB LEU 122 9.820 -5.748 -6.286 919 HG LEU 122 HG LEU 122 12.696 -5.747 -7.163 920 HD11 LEU 122 1HD1 LEU 122 12.415 -7.701 -8.381 921 HD12 LEU 122 2HD1 LEU 122 10.658 -7.661 -8.234 922 HD13 LEU 122 3HD1 LEU 122 11.650 -8.083 -6.838 923 HD21 LEU 122 1HD2 LEU 122 11.887 -5.010 -9.209 924 HD22 LEU 122 2HD2 LEU 122 10.874 -4.147 -8.052 925 HD23 LEU 122 3HD2 LEU 122 10.249 -5.574 -8.880 926 H VAL 123 H VAL 123 10.760 -5.635 -3.092 927 HA VAL 123 HA VAL 123 8.129 -5.041 -2.528 928 HB VAL 123 HB VAL 123 10.381 -5.380 -0.543 929 HG11 VAL 123 1HG1 VAL 123 8.833 -5.651 1.147 930 HG12 VAL 123 2HG1 VAL 123 8.103 -4.355 0.198 931 HG13 VAL 123 3HG1 VAL 123 7.518 -6.011 0.029 932 HG21 VAL 123 1HG2 VAL 123 8.411 -7.495 -1.309 933 HG22 VAL 123 2HG2 VAL 123 9.834 -7.205 -2.309 934 HG23 VAL 123 3HG2 VAL 123 10.025 -7.667 -0.618 935 H GLU 124 H GLU 124 11.018 -3.228 -1.514 936 HA GLU 124 HA GLU 124 9.565 -1.197 -0.162 937 HB2 GLU 124 1HB GLU 124 11.665 -0.016 -0.028 938 HB3 GLU 124 2HB GLU 124 11.952 -1.723 0.275 939 HG2 GLU 124 1HG GLU 124 12.916 -2.041 -1.853 940 HG3 GLU 124 2HG GLU 124 12.348 -0.473 -2.425 941 H MET 125 H MET 125 10.213 -1.807 -3.462 942 HA MET 125 HA MET 125 9.951 0.932 -4.331 943 HB2 MET 125 1HB MET 125 11.332 -0.746 -5.552 944 HB3 MET 125 2HB MET 125 9.856 -1.602 -5.975 945 HG2 MET 125 1HG MET 125 9.108 0.629 -7.006 946 HG3 MET 125 2HG MET 125 10.810 1.075 -6.906 947 HE1 MET 125 1HE MET 125 9.444 -2.793 -8.681 948 HE2 MET 125 2HE MET 125 8.540 -1.736 -7.597 949 HE3 MET 125 3HE MET 125 8.396 -1.538 -9.344 950 H ILE 126 H ILE 126 8.042 -2.001 -5.038 951 HA ILE 126 HA ILE 126 5.845 -0.898 -6.189 952 HB ILE 126 HB ILE 126 6.150 -3.323 -5.841 953 HG12 ILE 126 1HG1 ILE 126 3.493 -2.623 -4.641 954 HG13 ILE 126 2HG1 ILE 126 3.879 -2.092 -6.274 955 HG21 ILE 126 1HG2 ILE 126 6.727 -3.880 -3.740 956 HG22 ILE 126 2HG2 ILE 126 5.871 -2.511 -3.032 957 HG23 ILE 126 3HG2 ILE 126 4.985 -3.967 -3.484 958 HD11 ILE 126 1HD1 ILE 126 4.346 -4.468 -6.853 959 HD12 ILE 126 2HD1 ILE 126 3.738 -4.916 -5.259 960 HD13 ILE 126 3HD1 ILE 126 2.670 -4.131 -6.423 961 H PHE 127 H PHE 127 6.787 -0.648 -2.862 962 HA PHE 127 HA PHE 127 4.202 0.421 -2.053 963 HB2 PHE 127 1HB PHE 127 6.754 -0.123 -0.531 964 HB3 PHE 127 2HB PHE 127 5.338 0.628 0.195 965 HD1 PHE 127 2HD PHE 127 3.133 -0.894 -0.918 966 HD2 PHE 127 1HD PHE 127 6.955 -2.218 0.408 967 HE1 PHE 127 2HE PHE 127 2.195 -3.119 -0.446 968 HE2 PHE 127 1HE PHE 127 6.023 -4.445 0.881 969 HZ PHE 127 HZ PHE 127 3.640 -4.898 0.455 970 H SER 128 H SER 128 7.407 1.499 -2.876 971 HA SER 128 HA SER 128 7.078 4.151 -1.823 972 HB2 SER 128 1HB SER 128 9.221 4.625 -2.799 973 HB3 SER 128 2HB SER 128 9.301 2.998 -2.122 974 HG SER 128 HG SER 128 10.184 3.022 -4.202 975 H GLU 129 H GLU 129 7.501 2.974 -5.167 976 HA GLU 129 HA GLU 129 6.954 5.180 -6.607 977 HB2 GLU 129 1HB GLU 129 7.238 2.635 -7.295 978 HB3 GLU 129 2HB GLU 129 5.487 2.717 -7.434 979 HG2 GLU 129 1HG GLU 129 7.382 4.586 -8.835 980 HG3 GLU 129 2HG GLU 129 6.709 3.125 -9.556 981 H ASP 130 H ASP 130 5.408 6.657 -6.605 982 HA ASP 130 HA ASP 130 2.752 5.927 -5.580 983 HB2 ASP 130 1HB ASP 130 2.430 8.336 -5.193 984 HB3 ASP 130 2HB ASP 130 3.865 7.736 -4.366 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.571 26.949 22.866 2 HA2 GLY 1 1HA GLY 1 5.937 26.488 22.718 3 HA3 GLY 1 2HA GLY 1 5.756 25.379 24.069 4 H SER 2 H SER 2 6.746 25.148 21.188 5 HA SER 2 HA SER 2 5.174 23.684 19.532 6 HB2 SER 2 1HB SER 2 7.679 24.312 19.318 7 HB3 SER 2 2HB SER 2 7.982 22.752 20.083 8 HG SER 2 HG SER 2 7.367 23.276 17.532 9 H GLU 3 H GLU 3 4.280 21.699 19.449 10 HA GLU 3 HA GLU 3 4.609 19.994 21.817 11 HB2 GLU 3 1HB GLU 3 2.463 19.032 21.267 12 HB3 GLU 3 2HB GLU 3 2.321 20.784 21.280 13 HG2 GLU 3 1HG GLU 3 2.715 20.608 18.738 14 HG3 GLU 3 2HG GLU 3 2.295 18.909 18.953 15 H GLY 4 H GLY 4 4.402 19.819 18.271 16 HA2 GLY 4 1HA GLY 4 6.369 18.350 17.454 17 HA3 GLY 4 2HA GLY 4 5.544 17.111 18.388 18 H ALA 5 H ALA 5 6.043 16.800 15.683 19 HA ALA 5 HA ALA 5 3.407 16.269 14.719 20 HB1 ALA 5 1HB ALA 5 3.841 18.756 14.227 21 HB2 ALA 5 2HB ALA 5 4.947 18.167 12.985 22 HB3 ALA 5 3HB ALA 5 3.237 17.737 12.920 23 H ALA 6 H ALA 6 3.456 14.541 13.413 24 HA ALA 6 HA ALA 6 5.731 13.991 11.715 25 HB1 ALA 6 1HB ALA 6 6.528 13.083 13.818 26 HB2 ALA 6 2HB ALA 6 5.055 12.127 13.988 27 HB3 ALA 6 3HB ALA 6 6.186 11.779 12.681 28 H THR 7 H THR 7 4.824 13.427 9.859 29 HA THR 7 HA THR 7 2.331 11.858 9.919 30 HB THR 7 HB THR 7 1.889 12.724 7.651 31 HG1 THR 7 1HG THR 7 3.423 13.729 6.605 32 HG21 THR 7 1HG2 THR 7 0.783 14.417 8.592 33 HG22 THR 7 2HG2 THR 7 2.283 15.293 8.903 34 HG23 THR 7 3HG2 THR 7 1.693 14.111 10.071 35 H MET 8 H MET 8 2.422 9.829 9.225 36 HA MET 8 HA MET 8 4.317 9.086 7.135 37 HB2 MET 8 1HB MET 8 5.203 7.203 8.366 38 HB3 MET 8 2HB MET 8 5.474 8.675 9.289 39 HG2 MET 8 1HG MET 8 3.084 6.957 9.812 40 HG3 MET 8 2HG MET 8 4.655 6.566 10.508 41 HE1 MET 8 1HE MET 8 4.806 6.894 12.794 42 HE2 MET 8 2HE MET 8 5.901 8.216 12.390 43 HE3 MET 8 3HE MET 8 4.676 8.437 13.641 44 H ALA 9 H ALA 9 3.850 6.982 6.185 45 HA ALA 9 HA ALA 9 1.109 6.608 5.692 46 HB1 ALA 9 1HB ALA 9 2.105 5.673 3.932 47 HB2 ALA 9 2HB ALA 9 3.608 5.414 4.819 48 HB3 ALA 9 3HB ALA 9 2.301 4.236 4.935 49 H THR 10 H THR 10 -0.250 4.814 6.182 50 HA THR 10 HA THR 10 0.430 3.503 8.733 51 HB THR 10 HB THR 10 -2.085 3.296 9.023 52 HG1 THR 10 1HG THR 10 -2.318 5.469 7.252 53 HG21 THR 10 1HG2 THR 10 -0.595 4.996 10.152 54 HG22 THR 10 2HG2 THR 10 -2.293 5.450 10.010 55 HG23 THR 10 3HG2 THR 10 -1.099 6.142 8.912 56 H PHE 11 H PHE 11 0.680 1.376 8.656 57 HA PHE 11 HA PHE 11 -0.649 -0.117 6.490 58 HB2 PHE 11 1HB PHE 11 1.230 -1.450 6.177 59 HB3 PHE 11 2HB PHE 11 1.948 0.125 6.502 60 HD1 PHE 11 1HD PHE 11 1.089 -3.126 8.049 61 HD2 PHE 11 2HD PHE 11 3.402 0.437 8.310 62 HE1 PHE 11 1HE PHE 11 2.380 -4.104 9.901 63 HE2 PHE 11 2HE PHE 11 4.698 -0.535 10.162 64 HZ PHE 11 HZ PHE 11 4.188 -2.809 10.959 65 H GLU 12 H GLU 12 -1.823 -1.875 7.026 66 HA GLU 12 HA GLU 12 -1.712 -2.800 9.819 67 HB2 GLU 12 1HB GLU 12 -3.695 -1.422 9.563 68 HB3 GLU 12 2HB GLU 12 -4.180 -2.332 8.139 69 HG2 GLU 12 1HG GLU 12 -5.516 -3.077 9.944 70 HG3 GLU 12 2HG GLU 12 -4.355 -4.356 9.591 71 H GLU 13 H GLU 13 -1.514 -4.935 10.074 72 HA GLU 13 HA GLU 13 -1.517 -6.611 7.690 73 HB2 GLU 13 1HB GLU 13 0.269 -6.527 9.640 74 HB3 GLU 13 2HB GLU 13 -0.836 -7.664 10.399 75 HG2 GLU 13 1HG GLU 13 0.312 -8.046 7.647 76 HG3 GLU 13 2HG GLU 13 1.042 -8.694 9.114 77 H VAL 14 H VAL 14 -3.089 -7.994 7.196 78 HA VAL 14 HA VAL 14 -4.999 -8.765 9.302 79 HB VAL 14 HB VAL 14 -5.676 -8.064 6.442 80 HG11 VAL 14 1HG1 VAL 14 -7.994 -8.294 8.010 81 HG12 VAL 14 2HG1 VAL 14 -7.474 -9.345 6.691 82 HG13 VAL 14 3HG1 VAL 14 -7.021 -9.724 8.354 83 HG21 VAL 14 1HG2 VAL 14 -7.191 -6.420 7.886 84 HG22 VAL 14 2HG2 VAL 14 -5.848 -6.600 9.015 85 HG23 VAL 14 3HG2 VAL 14 -5.554 -5.997 7.384 86 H SER 15 H SER 15 -4.832 -10.876 9.632 87 HA SER 15 HA SER 15 -3.853 -12.633 7.541 88 HB2 SER 15 1HB SER 15 -2.915 -13.104 9.659 89 HB3 SER 15 2HB SER 15 -4.481 -13.013 10.465 90 HG SER 15 HG SER 15 -5.069 -14.936 9.441 91 H VAL 16 H VAL 16 -5.009 -14.161 6.474 92 HA VAL 16 HA VAL 16 -7.694 -14.858 7.280 93 HB VAL 16 HB VAL 16 -8.637 -14.249 5.009 94 HG11 VAL 16 1HG1 VAL 16 -9.060 -13.022 7.161 95 HG12 VAL 16 2HG1 VAL 16 -7.809 -11.878 6.670 96 HG13 VAL 16 3HG1 VAL 16 -9.268 -12.064 5.696 97 HG21 VAL 16 1HG2 VAL 16 -5.963 -13.466 4.563 98 HG22 VAL 16 2HG2 VAL 16 -7.335 -13.326 3.464 99 HG23 VAL 16 3HG2 VAL 16 -6.940 -11.997 4.554 100 H LEU 17 H LEU 17 -8.628 -16.546 5.908 101 HA LEU 17 HA LEU 17 -6.653 -17.967 4.262 102 HB2 LEU 17 1HB LEU 17 -7.057 -18.792 6.736 103 HB3 LEU 17 2HB LEU 17 -8.479 -19.538 6.011 104 HG LEU 17 HG LEU 17 -5.683 -20.015 5.001 105 HD11 LEU 17 1HD1 LEU 17 -7.121 -22.017 6.663 106 HD12 LEU 17 2HD1 LEU 17 -6.286 -20.692 7.473 107 HD13 LEU 17 3HD1 LEU 17 -5.391 -21.783 6.415 108 HD21 LEU 17 1HD2 LEU 17 -7.377 -22.194 4.546 109 HD22 LEU 17 2HD2 LEU 17 -6.766 -21.043 3.357 110 HD23 LEU 17 3HD2 LEU 17 -8.323 -20.761 4.139 111 H GLY 18 H GLY 18 -7.441 -18.475 2.330 112 HA2 GLY 18 1HA GLY 18 -9.030 -19.467 0.878 113 HA3 GLY 18 2HA GLY 18 -10.285 -19.130 2.062 114 H PHE 19 H PHE 19 -11.079 -18.511 -0.305 115 HA PHE 19 HA PHE 19 -10.306 -15.834 -1.084 116 HB2 PHE 19 1HB PHE 19 -10.933 -17.682 -2.709 117 HB3 PHE 19 2HB PHE 19 -12.599 -17.461 -2.183 118 HD1 PHE 19 2HD PHE 19 -13.674 -15.201 -2.509 119 HD2 PHE 19 1HD PHE 19 -9.983 -16.291 -4.328 120 HE1 PHE 19 2HE PHE 19 -13.951 -13.388 -4.149 121 HE2 PHE 19 1HE PHE 19 -10.254 -14.479 -5.970 122 HZ PHE 19 HZ PHE 19 -12.240 -13.026 -5.883 123 H GLU 20 H GLU 20 -12.976 -17.424 0.545 124 HA GLU 20 HA GLU 20 -14.872 -15.395 0.507 125 HB2 GLU 20 1HB GLU 20 -14.262 -17.492 2.586 126 HB3 GLU 20 2HB GLU 20 -15.637 -16.405 2.712 127 HG2 GLU 20 1HG GLU 20 -16.621 -18.212 1.735 128 HG3 GLU 20 2HG GLU 20 -16.166 -17.286 0.306 129 H GLU 21 H GLU 21 -12.703 -16.108 3.251 130 HA GLU 21 HA GLU 21 -13.190 -13.800 4.698 131 HB2 GLU 21 1HB GLU 21 -10.744 -15.551 4.522 132 HB3 GLU 21 2HB GLU 21 -10.842 -14.193 5.633 133 HG2 GLU 21 1HG GLU 21 -12.749 -16.520 5.582 134 HG3 GLU 21 2HG GLU 21 -11.388 -16.344 6.688 135 H PHE 22 H PHE 22 -10.565 -14.388 2.364 136 HA PHE 22 HA PHE 22 -9.250 -11.989 2.478 137 HB2 PHE 22 1HB PHE 22 -8.318 -13.640 1.081 138 HB3 PHE 22 2HB PHE 22 -9.809 -13.828 0.163 139 HD1 PHE 22 2HD PHE 22 -7.813 -10.813 1.064 140 HD2 PHE 22 1HD PHE 22 -9.375 -13.285 -2.029 141 HE1 PHE 22 2HE PHE 22 -6.968 -9.232 -0.622 142 HE2 PHE 22 1HE PHE 22 -8.532 -11.709 -3.719 143 HZ PHE 22 HZ PHE 22 -7.328 -9.678 -3.017 144 H ASP 23 H ASP 23 -12.097 -12.746 0.489 145 HA ASP 23 HA ASP 23 -12.367 -10.289 -0.786 146 HB2 ASP 23 1HB ASP 23 -13.662 -12.489 -1.159 147 HB3 ASP 23 2HB ASP 23 -14.742 -11.908 0.106 148 H LYS 24 H LYS 24 -13.913 -11.393 2.228 149 HA LYS 24 HA LYS 24 -15.344 -9.116 2.849 150 HB2 LYS 24 1HB LYS 24 -15.094 -11.450 4.061 151 HB3 LYS 24 2HB LYS 24 -13.933 -10.570 5.046 152 HG2 LYS 24 1HG LYS 24 -15.931 -10.397 6.223 153 HG3 LYS 24 2HG LYS 24 -15.796 -8.851 5.382 154 HD2 LYS 24 1HD LYS 24 -17.522 -9.321 3.957 155 HD3 LYS 24 2HD LYS 24 -17.240 -11.063 4.016 156 HE2 LYS 24 1HE LYS 24 -18.200 -9.614 6.449 157 HE3 LYS 24 2HE LYS 24 -19.339 -10.045 5.175 158 HZ1 LYS 24 1HZ LYS 24 -19.323 -12.161 5.809 159 HZ2 LYS 24 2HZ LYS 24 -18.529 -11.659 7.216 160 HZ3 LYS 24 3HZ LYS 24 -17.635 -12.225 5.896 161 H ALA 25 H ALA 25 -12.065 -9.914 4.009 162 HA ALA 25 HA ALA 25 -11.553 -7.509 5.313 163 HB1 ALA 25 1HB ALA 25 -10.207 -9.768 5.170 164 HB2 ALA 25 2HB ALA 25 -9.318 -8.895 3.921 165 HB3 ALA 25 3HB ALA 25 -9.402 -8.248 5.560 166 H VAL 26 H VAL 26 -11.242 -8.370 1.921 167 HA VAL 26 HA VAL 26 -9.771 -6.100 1.099 168 HB VAL 26 HB VAL 26 -11.570 -7.996 -0.396 169 HG11 VAL 26 1HG1 VAL 26 -11.841 -6.175 -1.764 170 HG12 VAL 26 2HG1 VAL 26 -10.283 -5.473 -1.324 171 HG13 VAL 26 3HG1 VAL 26 -10.352 -6.852 -2.422 172 HG21 VAL 26 1HG2 VAL 26 -9.668 -9.088 -1.025 173 HG22 VAL 26 2HG2 VAL 26 -8.672 -7.635 -0.948 174 HG23 VAL 26 3HG2 VAL 26 -9.135 -8.465 0.537 175 H LYS 27 H LYS 27 -13.177 -6.794 0.313 176 HA LYS 27 HA LYS 27 -13.949 -4.317 -0.524 177 HB2 LYS 27 1HB LYS 27 -15.454 -6.451 0.963 178 HB3 LYS 27 2HB LYS 27 -16.246 -4.955 0.488 179 HG2 LYS 27 1HG LYS 27 -15.681 -5.407 -1.853 180 HG3 LYS 27 2HG LYS 27 -14.918 -6.923 -1.365 181 HD2 LYS 27 1HD LYS 27 -17.024 -7.781 -0.567 182 HD3 LYS 27 2HD LYS 27 -17.813 -6.231 -0.870 183 HE2 LYS 27 1HE LYS 27 -17.566 -6.480 -3.226 184 HE3 LYS 27 2HE LYS 27 -16.506 -7.875 -3.028 185 HZ1 LYS 27 1HZ LYS 27 -18.334 -9.148 -2.178 186 HZ2 LYS 27 2HZ LYS 27 -18.792 -8.474 -3.660 187 HZ3 LYS 27 3HZ LYS 27 -19.361 -7.804 -2.214 188 H GLU 28 H GLU 28 -13.357 -5.354 2.748 189 HA GLU 28 HA GLU 28 -14.675 -3.251 4.094 190 HB2 GLU 28 1HB GLU 28 -12.578 -5.246 4.801 191 HB3 GLU 28 2HB GLU 28 -12.777 -3.857 5.860 192 HG2 GLU 28 1HG GLU 28 -14.809 -5.957 5.171 193 HG3 GLU 28 2HG GLU 28 -14.099 -5.603 6.745 194 H HIS 29 H HIS 29 -11.253 -3.670 3.200 195 HA HIS 29 HA HIS 29 -10.789 -0.834 3.776 196 HB2 HIS 29 1HB HIS 29 -8.598 -2.691 2.946 197 HB3 HIS 29 2HB HIS 29 -8.547 -1.325 4.057 198 HD1 HIS 29 1HD HIS 29 -9.936 -1.821 6.401 199 HD2 HIS 29 2HD HIS 29 -8.611 -5.085 4.199 200 HE1 HIS 29 1HE HIS 29 -9.947 -3.760 8.002 201 HE2 HIS 29 2HE HIS 29 -9.060 -5.705 6.670 202 H GLU 30 H GLU 30 -12.250 -1.841 1.404 203 HA GLU 30 HA GLU 30 -10.688 -1.736 -0.913 204 HB2 GLU 30 1HB GLU 30 -12.783 -1.232 -2.094 205 HB3 GLU 30 2HB GLU 30 -12.989 -2.536 -0.933 206 HG2 GLU 30 1HG GLU 30 -14.859 -1.326 -0.493 207 HG3 GLU 30 2HG GLU 30 -13.743 -0.567 0.640 208 H SER 31 H SER 31 -12.299 0.836 0.904 209 HA SER 31 HA SER 31 -11.993 2.976 -0.782 210 HB2 SER 31 1HB SER 31 -11.702 2.873 2.226 211 HB3 SER 31 2HB SER 31 -11.795 4.375 1.307 212 HG SER 31 HG SER 31 -13.814 3.145 0.431 213 H LYS 32 H LYS 32 -9.585 1.647 1.455 214 HA LYS 32 HA LYS 32 -7.558 3.426 0.297 215 HB2 LYS 32 1HB LYS 32 -7.473 1.690 2.772 216 HB3 LYS 32 2HB LYS 32 -6.151 2.705 2.210 217 HG2 LYS 32 1HG LYS 32 -7.081 4.078 3.771 218 HG3 LYS 32 2HG LYS 32 -7.978 4.590 2.340 219 HD2 LYS 32 1HD LYS 32 -9.866 3.266 2.960 220 HD3 LYS 32 2HD LYS 32 -8.961 2.483 4.257 221 HE2 LYS 32 1HE LYS 32 -10.528 4.239 5.051 222 HE3 LYS 32 2HE LYS 32 -8.848 4.535 5.496 223 HZ1 LYS 32 1HZ LYS 32 -9.703 5.713 2.987 224 HZ2 LYS 32 2HZ LYS 32 -8.742 6.363 4.217 225 HZ3 LYS 32 3HZ LYS 32 -10.426 6.362 4.372 226 H THR 33 H THR 33 -5.370 2.450 -0.037 227 HA THR 33 HA THR 33 -5.488 0.374 -1.909 228 HB THR 33 HB THR 33 -3.018 1.172 -0.364 229 HG1 THR 33 1HG THR 33 -4.477 2.500 -2.359 230 HG21 THR 33 1HG2 THR 33 -2.919 0.543 -3.243 231 HG22 THR 33 2HG2 THR 33 -3.301 -0.813 -2.182 232 HG23 THR 33 3HG2 THR 33 -1.811 0.099 -1.946 233 H ILE 34 H ILE 34 -5.196 -1.794 -1.803 234 HA ILE 34 HA ILE 34 -4.722 -2.957 0.864 235 HB ILE 34 HB ILE 34 -6.566 -3.928 -1.317 236 HG12 ILE 34 1HG1 ILE 34 -7.256 -3.468 1.571 237 HG13 ILE 34 2HG1 ILE 34 -7.231 -2.124 0.434 238 HG21 ILE 34 1HG2 ILE 34 -5.457 -5.867 -0.495 239 HG22 ILE 34 2HG2 ILE 34 -5.623 -5.327 1.175 240 HG23 ILE 34 3HG2 ILE 34 -7.049 -5.816 0.261 241 HD11 ILE 34 1HD1 ILE 34 -8.808 -4.588 -0.168 242 HD12 ILE 34 2HD1 ILE 34 -9.451 -3.338 0.899 243 HD13 ILE 34 3HD1 ILE 34 -9.027 -2.944 -0.767 244 H PHE 35 H PHE 35 -3.566 -4.924 0.958 245 HA PHE 35 HA PHE 35 -2.163 -5.705 -1.501 246 HB2 PHE 35 1HB PHE 35 -0.932 -5.005 1.159 247 HB3 PHE 35 2HB PHE 35 -0.096 -6.015 -0.016 248 HD1 PHE 35 2HD PHE 35 0.515 -5.076 -2.230 249 HD2 PHE 35 1HD PHE 35 -1.065 -2.661 0.898 250 HE1 PHE 35 2HE PHE 35 1.340 -3.061 -3.374 251 HE2 PHE 35 1HE PHE 35 -0.244 -0.641 -0.242 252 HZ PHE 35 HZ PHE 35 0.962 -0.839 -2.380 253 H ALA 36 H ALA 36 -2.788 -7.731 -1.854 254 HA ALA 36 HA ALA 36 -3.254 -9.521 0.415 255 HB1 ALA 36 1HB ALA 36 -4.243 -9.358 -2.351 256 HB2 ALA 36 2HB ALA 36 -3.959 -10.988 -1.739 257 HB3 ALA 36 3HB ALA 36 -5.054 -9.903 -0.882 258 H TYR 37 H TYR 37 -1.776 -10.956 1.011 259 HA TYR 37 HA TYR 37 0.379 -11.618 -0.880 260 HB2 TYR 37 1HB TYR 37 1.076 -10.503 1.222 261 HB3 TYR 37 2HB TYR 37 0.381 -11.835 2.138 262 HD1 TYR 37 1HD TYR 37 2.651 -11.542 -0.826 263 HD2 TYR 37 2HD TYR 37 1.969 -13.249 3.011 264 HE1 TYR 37 1HE TYR 37 4.780 -12.761 -0.996 265 HE2 TYR 37 2HE TYR 37 4.097 -14.472 2.853 266 HH TYR 37 HH TYR 37 6.334 -14.112 1.548 267 H PHE 38 H PHE 38 -0.855 -13.264 -1.908 268 HA PHE 38 HA PHE 38 -1.938 -15.465 -0.453 269 HB2 PHE 38 1HB PHE 38 -1.185 -15.603 -3.357 270 HB3 PHE 38 2HB PHE 38 -2.541 -16.361 -2.530 271 HD1 PHE 38 1HD PHE 38 -4.224 -14.624 -1.428 272 HD2 PHE 38 2HD PHE 38 -1.622 -13.795 -4.693 273 HE1 PHE 38 1HE PHE 38 -5.684 -12.766 -2.115 274 HE2 PHE 38 2HE PHE 38 -3.077 -11.935 -5.384 275 HZ PHE 38 HZ PHE 38 -5.110 -11.417 -4.094 276 H SER 39 H SER 39 -0.829 -17.032 0.490 277 HA SER 39 HA SER 39 1.438 -18.247 -0.838 278 HB2 SER 39 1HB SER 39 2.879 -18.009 1.228 279 HB3 SER 39 2HB SER 39 2.630 -16.521 0.315 280 HG SER 39 HG SER 39 2.135 -15.854 2.281 281 H GLY 40 H GLY 40 1.844 -20.341 -0.157 282 HA2 GLY 40 1HA GLY 40 -0.110 -21.985 0.651 283 HA3 GLY 40 2HA GLY 40 1.568 -22.289 1.079 284 H SER 41 H SER 41 -0.965 -22.849 2.525 285 HA SER 41 HA SER 41 -1.293 -21.107 4.699 286 HB2 SER 41 1HB SER 41 -2.521 -22.896 5.756 287 HB3 SER 41 2HB SER 41 -2.883 -22.928 4.030 288 HG SER 41 HG SER 41 -2.403 -24.986 4.414 289 H LYS 42 H LYS 42 -0.918 -21.971 7.038 290 HA LYS 42 HA LYS 42 1.953 -22.316 7.310 291 HB2 LYS 42 1HB LYS 42 -0.205 -21.828 9.371 292 HB3 LYS 42 2HB LYS 42 1.516 -21.907 9.724 293 HG2 LYS 42 1HG LYS 42 1.926 -19.956 8.364 294 HG3 LYS 42 2HG LYS 42 0.231 -19.907 7.876 295 HD2 LYS 42 1HD LYS 42 0.860 -19.866 10.784 296 HD3 LYS 42 2HD LYS 42 1.158 -18.401 9.846 297 HE2 LYS 42 1HE LYS 42 -1.462 -19.870 9.747 298 HE3 LYS 42 2HE LYS 42 -1.125 -18.632 10.955 299 HZ1 LYS 42 1HZ LYS 42 -1.120 -16.980 9.397 300 HZ2 LYS 42 2HZ LYS 42 -2.262 -18.020 8.707 301 HZ3 LYS 42 3HZ LYS 42 -0.673 -18.003 8.125 302 H ASP 43 H ASP 43 2.516 -23.706 9.404 303 HA ASP 43 HA ASP 43 1.184 -26.315 9.078 304 HB2 ASP 43 1HB ASP 43 4.110 -25.665 9.411 305 HB3 ASP 43 2HB ASP 43 3.465 -27.274 9.724 306 H THR 44 H THR 44 2.049 -27.784 11.049 307 HA THR 44 HA THR 44 0.723 -26.849 13.326 308 HB THR 44 HB THR 44 1.072 -29.238 12.902 309 HG1 THR 44 1HG THR 44 2.080 -28.154 15.325 310 HG21 THR 44 1HG2 THR 44 3.948 -28.767 13.689 311 HG22 THR 44 2HG2 THR 44 3.399 -29.019 12.032 312 HG23 THR 44 3HG2 THR 44 3.207 -30.299 13.230 313 H GLU 45 H GLU 45 3.842 -26.141 12.181 314 HA GLU 45 HA GLU 45 4.811 -25.357 14.832 315 HB2 GLU 45 1HB GLU 45 6.163 -26.640 12.950 316 HB3 GLU 45 2HB GLU 45 6.447 -25.009 12.361 317 HG2 GLU 45 1HG GLU 45 7.706 -24.419 14.186 318 HG3 GLU 45 2HG GLU 45 6.955 -25.625 15.229 319 H GLY 46 H GLY 46 3.557 -24.054 11.891 320 HA2 GLY 46 1HA GLY 46 2.628 -21.846 11.858 321 HA3 GLY 46 2HA GLY 46 3.852 -21.353 13.018 322 H LYS 47 H LYS 47 4.464 -23.238 10.113 323 HA LYS 47 HA LYS 47 5.669 -20.891 8.833 324 HB2 LYS 47 1HB LYS 47 7.705 -22.089 8.315 325 HB3 LYS 47 2HB LYS 47 7.453 -22.101 10.056 326 HG2 LYS 47 1HG LYS 47 6.827 -24.364 10.059 327 HG3 LYS 47 2HG LYS 47 6.603 -24.388 8.308 328 HD2 LYS 47 1HD LYS 47 8.648 -25.403 8.454 329 HD3 LYS 47 2HD LYS 47 9.159 -23.719 8.326 330 HE2 LYS 47 1HE LYS 47 9.398 -23.580 10.735 331 HE3 LYS 47 2HE LYS 47 8.792 -25.226 10.913 332 HZ1 LYS 47 1HZ LYS 47 11.098 -25.417 11.039 333 HZ2 LYS 47 2HZ LYS 47 11.367 -24.334 9.768 334 HZ3 LYS 47 3HZ LYS 47 10.746 -25.875 9.449 335 H SER 48 H SER 48 5.559 -20.871 6.625 336 HA SER 48 HA SER 48 3.631 -22.552 5.395 337 HB2 SER 48 1HB SER 48 4.111 -21.315 3.362 338 HB3 SER 48 2HB SER 48 4.059 -20.192 4.720 339 HG SER 48 HG SER 48 6.525 -21.307 4.034 340 H TRP 49 H TRP 49 3.845 -24.330 4.155 341 HA TRP 49 HA TRP 49 5.981 -26.036 4.371 342 HB2 TRP 49 1HB TRP 49 5.072 -27.083 2.214 343 HB3 TRP 49 2HB TRP 49 3.962 -26.953 3.575 344 HD1 TRP 49 HD TRP 49 1.884 -25.328 3.317 345 HE1 TRP 49 1HE TRP 49 0.834 -24.148 1.285 346 HE3 TRP 49 3HE TRP 49 5.688 -25.954 -0.041 347 HZ2 TRP 49 2HZ TRP 49 1.526 -23.561 -1.388 348 HZ3 TRP 49 3HZ TRP 49 5.415 -25.054 -2.314 349 HH2 TRP 49 HH TRP 49 3.376 -23.883 -2.972 350 H CYS 50 H CYS 50 5.457 -23.510 1.978 351 HA CYS 50 HA CYS 50 7.815 -24.240 0.470 352 HB2 CYS 50 1HB CYS 50 5.581 -23.116 -0.365 353 HB3 CYS 50 2HB CYS 50 6.398 -21.631 0.106 354 HG CYS 50 HG CYS 50 8.405 -21.759 -1.698 355 HA PRO 51 HA PRO 51 10.621 -21.860 2.914 356 HB2 PRO 51 1HB PRO 51 12.684 -21.813 1.150 357 HB3 PRO 51 2HB PRO 51 12.258 -23.247 2.092 358 HG2 PRO 51 1HG PRO 51 11.584 -22.575 -0.746 359 HG3 PRO 51 2HG PRO 51 12.121 -24.119 -0.059 360 HD2 PRO 51 1HD PRO 51 9.525 -23.603 -0.629 361 HD3 PRO 51 2HD PRO 51 10.017 -24.649 0.718 362 H ASP 52 H ASP 52 9.965 -20.998 -0.452 363 HA ASP 52 HA ASP 52 11.139 -18.505 -0.590 364 HB2 ASP 52 1HB ASP 52 9.729 -19.917 -2.333 365 HB3 ASP 52 2HB ASP 52 8.430 -18.855 -1.796 366 H CYS 53 H CYS 53 7.713 -19.109 0.213 367 HA CYS 53 HA CYS 53 6.948 -16.577 0.898 368 HB2 CYS 53 1HB CYS 53 5.214 -18.115 0.932 369 HB3 CYS 53 2HB CYS 53 6.125 -19.277 1.888 370 HG CYS 53 HG CYS 53 5.403 -16.404 3.470 371 H VAL 54 H VAL 54 8.399 -18.979 3.088 372 HA VAL 54 HA VAL 54 8.472 -17.296 5.352 373 HB VAL 54 HB VAL 54 10.226 -19.671 4.706 374 HG11 VAL 54 1HG1 VAL 54 9.717 -18.198 7.285 375 HG12 VAL 54 2HG1 VAL 54 10.469 -19.792 7.195 376 HG13 VAL 54 3HG1 VAL 54 11.255 -18.401 6.447 377 HG21 VAL 54 1HG2 VAL 54 7.444 -19.426 5.488 378 HG22 VAL 54 2HG2 VAL 54 8.338 -20.838 4.924 379 HG23 VAL 54 3HG2 VAL 54 8.373 -20.396 6.631 380 H GLU 55 H GLU 55 10.448 -17.485 2.544 381 HA GLU 55 HA GLU 55 12.650 -16.041 3.804 382 HB2 GLU 55 1HB GLU 55 13.381 -17.778 2.356 383 HB3 GLU 55 2HB GLU 55 12.284 -17.272 1.078 384 HG2 GLU 55 1HG GLU 55 13.575 -15.304 0.658 385 HG3 GLU 55 2HG GLU 55 14.596 -15.619 2.060 386 H ALA 56 H ALA 56 9.803 -15.417 2.077 387 HA ALA 56 HA ALA 56 10.769 -12.811 1.135 388 HB1 ALA 56 1HB ALA 56 8.946 -14.719 0.075 389 HB2 ALA 56 2HB ALA 56 8.067 -13.222 0.392 390 HB3 ALA 56 3HB ALA 56 9.498 -13.203 -0.639 391 H GLU 57 H GLU 57 8.694 -14.315 3.469 392 HA GLU 57 HA GLU 57 6.875 -12.390 4.129 393 HB2 GLU 57 1HB GLU 57 6.608 -14.227 5.457 394 HB3 GLU 57 2HB GLU 57 8.338 -14.456 5.673 395 HG2 GLU 57 1HG GLU 57 6.986 -13.798 7.715 396 HG3 GLU 57 2HG GLU 57 8.454 -12.879 7.389 397 HA PRO 58 HA PRO 58 10.077 -10.129 6.954 398 HB2 PRO 58 1HB PRO 58 12.680 -10.865 6.722 399 HB3 PRO 58 2HB PRO 58 11.564 -11.628 7.861 400 HG2 PRO 58 1HG PRO 58 12.458 -12.571 5.164 401 HG3 PRO 58 2HG PRO 58 12.263 -13.496 6.665 402 HD2 PRO 58 1HD PRO 58 10.416 -13.525 4.685 403 HD3 PRO 58 2HD PRO 58 9.981 -13.686 6.399 404 H VAL 59 H VAL 59 10.523 -10.926 3.668 405 HA VAL 59 HA VAL 59 12.202 -8.600 3.122 406 HB VAL 59 HB VAL 59 11.089 -10.490 1.061 407 HG11 VAL 59 1HG1 VAL 59 12.110 -8.366 0.311 408 HG12 VAL 59 2HG1 VAL 59 13.613 -8.840 1.106 409 HG13 VAL 59 3HG1 VAL 59 12.992 -9.788 -0.246 410 HG21 VAL 59 1HG2 VAL 59 13.041 -11.875 1.288 411 HG22 VAL 59 2HG2 VAL 59 13.694 -10.823 2.545 412 HG23 VAL 59 3HG2 VAL 59 12.239 -11.769 2.855 413 H ILE 60 H ILE 60 8.906 -9.583 3.029 414 HA ILE 60 HA ILE 60 8.141 -7.406 1.240 415 HB ILE 60 HB ILE 60 6.476 -9.553 2.558 416 HG12 ILE 60 1HG1 ILE 60 7.479 -9.162 -0.266 417 HG13 ILE 60 2HG1 ILE 60 7.868 -10.482 0.832 418 HG21 ILE 60 1HG2 ILE 60 4.623 -8.769 1.228 419 HG22 ILE 60 2HG2 ILE 60 5.235 -7.444 2.217 420 HG23 ILE 60 3HG2 ILE 60 5.631 -7.519 0.500 421 HD11 ILE 60 1HD1 ILE 60 5.241 -10.818 0.741 422 HD12 ILE 60 2HD1 ILE 60 5.460 -10.033 -0.823 423 HD13 ILE 60 3HD1 ILE 60 6.328 -11.523 -0.455 424 H ARG 61 H ARG 61 7.592 -8.488 4.575 425 HA ARG 61 HA ARG 61 5.973 -6.278 5.312 426 HB2 ARG 61 1HB ARG 61 7.359 -8.488 6.738 427 HB3 ARG 61 2HB ARG 61 6.909 -7.078 7.687 428 HG2 ARG 61 1HG ARG 61 4.573 -7.371 6.726 429 HG3 ARG 61 2HG ARG 61 5.123 -8.956 6.179 430 HD2 ARG 61 1HD ARG 61 4.225 -9.496 8.220 431 HD3 ARG 61 2HD ARG 61 5.904 -9.200 8.668 432 HE ARG 61 HE ARG 61 3.605 -7.523 9.291 433 HH11 ARG 61 2HH1 ARG 61 7.058 -7.965 9.340 434 HH12 ARG 61 1HH1 ARG 61 7.327 -6.755 10.551 435 HH21 ARG 61 2HH2 ARG 61 3.946 -5.928 10.885 436 HH22 ARG 61 1HH2 ARG 61 5.555 -5.598 11.430 437 H GLU 62 H GLU 62 9.408 -6.810 5.172 438 HA GLU 62 HA GLU 62 10.188 -4.677 6.875 439 HB2 GLU 62 1HB GLU 62 11.556 -6.376 4.834 440 HB3 GLU 62 2HB GLU 62 12.358 -4.913 5.388 441 HG2 GLU 62 1HG GLU 62 11.300 -6.907 7.347 442 HG3 GLU 62 2HG GLU 62 12.863 -7.143 6.567 443 H GLY 63 H GLY 63 9.194 -4.864 3.556 444 HA2 GLY 63 1HA GLY 63 10.184 -2.180 2.965 445 HA3 GLY 63 2HA GLY 63 9.412 -3.278 1.830 446 H LEU 64 H LEU 64 7.176 -3.825 3.662 447 HA LEU 64 HA LEU 64 5.302 -2.045 2.724 448 HB2 LEU 64 1HB LEU 64 5.415 -3.887 5.055 449 HB3 LEU 64 2HB LEU 64 4.087 -2.730 4.975 450 HG LEU 64 HG LEU 64 4.711 -4.673 2.759 451 HD11 LEU 64 1HD1 LEU 64 3.732 -6.328 3.864 452 HD12 LEU 64 2HD1 LEU 64 2.353 -5.308 4.275 453 HD13 LEU 64 3HD1 LEU 64 3.779 -5.323 5.313 454 HD21 LEU 64 1HD2 LEU 64 3.345 -2.566 2.348 455 HD22 LEU 64 2HD2 LEU 64 2.120 -3.287 3.392 456 HD23 LEU 64 3HD2 LEU 64 2.599 -4.100 1.901 457 H LYS 65 H LYS 65 7.543 -1.636 5.324 458 HA LYS 65 HA LYS 65 6.188 0.475 6.670 459 HB2 LYS 65 1HB LYS 65 8.935 -0.682 6.722 460 HB3 LYS 65 2HB LYS 65 8.705 0.921 7.407 461 HG2 LYS 65 1HG LYS 65 6.828 -1.219 8.240 462 HG3 LYS 65 2HG LYS 65 8.480 -1.276 8.858 463 HD2 LYS 65 1HD LYS 65 6.822 1.226 8.998 464 HD3 LYS 65 2HD LYS 65 6.732 -0.019 10.246 465 HE2 LYS 65 1HE LYS 65 9.108 0.208 10.679 466 HE3 LYS 65 2HE LYS 65 9.257 1.383 9.373 467 HZ1 LYS 65 1HZ LYS 65 9.106 2.705 11.237 468 HZ2 LYS 65 2HZ LYS 65 7.989 1.698 12.012 469 HZ3 LYS 65 3HZ LYS 65 7.495 2.671 10.720 470 H HIS 66 H HIS 66 8.582 0.338 4.085 471 HA HIS 66 HA HIS 66 9.134 3.106 3.973 472 HB2 HIS 66 1HB HIS 66 9.343 0.968 1.844 473 HB3 HIS 66 2HB HIS 66 9.979 2.602 1.675 474 HD1 HIS 66 1HD HIS 66 12.373 2.787 2.227 475 HD2 HIS 66 2HD HIS 66 10.558 -0.325 4.296 476 HE1 HIS 66 1HE HIS 66 14.214 1.693 3.546 477 HE2 HIS 66 2HE HIS 66 13.107 -0.239 4.724 478 H VAL 67 H VAL 67 6.477 1.211 2.869 479 HA VAL 67 HA VAL 67 5.437 2.482 0.718 480 HB VAL 67 HB VAL 67 4.401 0.619 2.187 481 HG11 VAL 67 1HG1 VAL 67 2.957 1.165 3.887 482 HG12 VAL 67 2HG1 VAL 67 4.197 2.403 4.099 483 HG13 VAL 67 3HG1 VAL 67 2.685 2.798 3.280 484 HG21 VAL 67 1HG2 VAL 67 3.364 2.353 0.212 485 HG22 VAL 67 2HG2 VAL 67 2.862 0.704 0.588 486 HG23 VAL 67 3HG2 VAL 67 2.079 2.069 1.386 487 H THR 68 H THR 68 4.320 4.338 0.252 488 HA THR 68 HA THR 68 4.291 6.391 2.367 489 HB THR 68 HB THR 68 4.689 8.080 0.745 490 HG1 THR 68 1HG THR 68 3.395 7.283 -0.949 491 HG21 THR 68 1HG2 THR 68 6.657 6.680 -0.614 492 HG22 THR 68 2HG2 THR 68 6.453 5.775 0.886 493 HG23 THR 68 3HG2 THR 68 6.839 7.495 0.938 494 H GLU 69 H GLU 69 2.183 4.431 1.655 495 HA GLU 69 HA GLU 69 0.024 6.368 1.308 496 HB2 GLU 69 1HB GLU 69 -1.079 5.177 -0.404 497 HB3 GLU 69 2HB GLU 69 0.599 5.277 -0.918 498 HG2 GLU 69 1HG GLU 69 0.993 3.003 -0.217 499 HG3 GLU 69 2HG GLU 69 -0.643 2.890 0.429 500 H ASP 70 H ASP 70 -1.785 5.914 2.476 501 HA ASP 70 HA ASP 70 -1.566 4.018 4.583 502 HB2 ASP 70 1HB ASP 70 -4.048 4.709 4.927 503 HB3 ASP 70 2HB ASP 70 -2.786 5.913 5.173 504 H CYS 71 H CYS 71 -1.445 1.944 3.801 505 HA CYS 71 HA CYS 71 -3.824 0.957 2.369 506 HB2 CYS 71 1HB CYS 71 -2.471 -0.680 1.276 507 HB3 CYS 71 2HB CYS 71 -1.645 0.864 1.101 508 HG CYS 71 HG CYS 71 -0.434 -0.365 3.804 509 H VAL 72 H VAL 72 -4.063 -1.516 2.714 510 HA VAL 72 HA VAL 72 -3.551 -2.173 5.538 511 HB VAL 72 HB VAL 72 -6.132 -2.681 4.051 512 HG11 VAL 72 1HG1 VAL 72 -5.340 -4.426 5.729 513 HG12 VAL 72 2HG1 VAL 72 -5.600 -3.192 6.963 514 HG13 VAL 72 3HG1 VAL 72 -6.950 -3.751 5.975 515 HG21 VAL 72 1HG2 VAL 72 -5.216 -0.527 5.819 516 HG22 VAL 72 2HG2 VAL 72 -6.532 -0.550 4.646 517 HG23 VAL 72 3HG2 VAL 72 -6.775 -1.226 6.256 518 H PHE 73 H PHE 73 -1.937 -3.635 5.162 519 HA PHE 73 HA PHE 73 -1.801 -5.503 3.106 520 HB2 PHE 73 1HB PHE 73 0.059 -4.892 4.671 521 HB3 PHE 73 2HB PHE 73 -0.720 -5.876 5.905 522 HD1 PHE 73 2HD PHE 73 1.088 -5.925 2.718 523 HD2 PHE 73 1HD PHE 73 -0.646 -8.270 5.817 524 HE1 PHE 73 2HE PHE 73 2.262 -7.912 1.866 525 HE2 PHE 73 1HE PHE 73 0.526 -10.261 4.971 526 HZ PHE 73 HZ PHE 73 1.981 -10.084 2.992 527 H ILE 74 H ILE 74 -2.225 -7.751 3.037 528 HA ILE 74 HA ILE 74 -4.022 -8.833 5.073 529 HB ILE 74 HB ILE 74 -4.707 -8.870 2.132 530 HG12 ILE 74 1HG1 ILE 74 -6.144 -7.454 4.383 531 HG13 ILE 74 2HG1 ILE 74 -5.021 -6.658 3.287 532 HG21 ILE 74 1HG2 ILE 74 -5.488 -10.551 4.289 533 HG22 ILE 74 2HG2 ILE 74 -6.883 -9.597 3.788 534 HG23 ILE 74 3HG2 ILE 74 -6.024 -10.589 2.609 535 HD11 ILE 74 1HD1 ILE 74 -6.521 -7.463 1.410 536 HD12 ILE 74 2HD1 ILE 74 -7.696 -7.855 2.666 537 HD13 ILE 74 3HD1 ILE 74 -7.155 -6.191 2.453 538 H TYR 75 H TYR 75 -2.824 -10.518 5.720 539 HA TYR 75 HA TYR 75 -1.247 -12.064 3.864 540 HB2 TYR 75 1HB TYR 75 -0.638 -11.522 6.295 541 HB3 TYR 75 2HB TYR 75 -1.791 -12.774 6.742 542 HD1 TYR 75 1HD TYR 75 -1.414 -15.011 5.180 543 HD2 TYR 75 2HD TYR 75 1.559 -12.194 6.336 544 HE1 TYR 75 1HE TYR 75 0.323 -16.725 4.870 545 HE2 TYR 75 2HE TYR 75 3.303 -13.900 6.028 546 HH TYR 75 HH TYR 75 2.644 -16.956 4.537 547 H CYS 76 H CYS 76 -2.724 -13.017 2.464 548 HA CYS 76 HA CYS 76 -4.693 -14.850 3.631 549 HB2 CYS 76 1HB CYS 76 -5.551 -13.281 1.963 550 HB3 CYS 76 2HB CYS 76 -4.373 -13.859 0.790 551 HG CYS 76 HG CYS 76 -5.523 -16.231 0.276 552 H GLN 77 H GLN 77 -4.688 -17.029 3.221 553 HA GLN 77 HA GLN 77 -2.264 -18.075 1.916 554 HB2 GLN 77 1HB GLN 77 -3.941 -19.339 4.091 555 HB3 GLN 77 2HB GLN 77 -2.515 -20.057 3.355 556 HG2 GLN 77 1HG GLN 77 -1.563 -19.190 5.216 557 HG3 GLN 77 2HG GLN 77 -1.409 -17.794 4.152 558 HE21 GLN 77 1HE2 GLN 77 -3.038 -19.147 6.892 559 HE22 GLN 77 2HE2 GLN 77 -3.805 -17.692 7.418 560 H VAL 78 H VAL 78 -2.509 -19.266 0.144 561 HA VAL 78 HA VAL 78 -5.018 -19.667 -1.066 562 HB VAL 78 HB VAL 78 -3.802 -21.105 -2.683 563 HG11 VAL 78 1HG1 VAL 78 -2.288 -18.576 -2.059 564 HG12 VAL 78 2HG1 VAL 78 -2.476 -19.357 -3.631 565 HG13 VAL 78 3HG1 VAL 78 -3.867 -18.612 -2.842 566 HG21 VAL 78 1HG2 VAL 78 -2.193 -22.245 -1.438 567 HG22 VAL 78 2HG2 VAL 78 -1.247 -21.083 -2.369 568 HG23 VAL 78 3HG2 VAL 78 -1.604 -20.771 -0.670 569 H GLY 79 H GLY 79 -2.784 -22.014 0.429 570 HA2 GLY 79 1HA GLY 79 -4.536 -23.504 1.867 571 HA3 GLY 79 2HA GLY 79 -4.729 -24.137 0.239 572 H ASP 80 H ASP 80 -3.945 -26.171 0.896 573 HA ASP 80 HA ASP 80 -1.309 -26.423 2.021 574 HB2 ASP 80 1HB ASP 80 -2.956 -28.627 0.780 575 HB3 ASP 80 2HB ASP 80 -1.690 -28.776 1.996 576 H LYS 81 H LYS 81 0.226 -28.044 0.902 577 HA LYS 81 HA LYS 81 1.186 -26.870 -1.450 578 HB2 LYS 81 1HB LYS 81 2.214 -28.595 0.366 579 HB3 LYS 81 2HB LYS 81 1.912 -29.697 -0.971 580 HG2 LYS 81 1HG LYS 81 3.491 -28.742 -2.303 581 HG3 LYS 81 2HG LYS 81 3.307 -27.147 -1.568 582 HD2 LYS 81 1HD LYS 81 5.406 -27.871 -0.836 583 HD3 LYS 81 2HD LYS 81 4.339 -28.211 0.528 584 HE2 LYS 81 1HE LYS 81 4.764 -30.332 -1.518 585 HE3 LYS 81 2HE LYS 81 6.054 -30.007 -0.362 586 HZ1 LYS 81 1HZ LYS 81 4.962 -31.223 1.108 587 HZ2 LYS 81 2HZ LYS 81 3.688 -31.472 0.024 588 HZ3 LYS 81 3HZ LYS 81 3.666 -30.137 1.064 589 HA PRO 82 HA PRO 82 -0.683 -30.696 -3.768 590 HB2 PRO 82 1HB PRO 82 -2.588 -32.103 -2.440 591 HB3 PRO 82 2HB PRO 82 -0.867 -32.499 -2.355 592 HG2 PRO 82 1HG PRO 82 -2.558 -30.971 -0.414 593 HG3 PRO 82 2HG PRO 82 -1.329 -32.208 -0.095 594 HD2 PRO 82 1HD PRO 82 -0.831 -29.560 0.167 595 HD3 PRO 82 2HD PRO 82 0.414 -30.720 -0.338 596 H TYR 83 H TYR 83 -2.395 -28.452 -1.833 597 HA TYR 83 HA TYR 83 -4.839 -28.627 -3.404 598 HB2 TYR 83 1HB TYR 83 -5.316 -28.223 -1.147 599 HB3 TYR 83 2HB TYR 83 -4.006 -27.060 -0.979 600 HD1 TYR 83 2HD TYR 83 -4.247 -24.792 -2.037 601 HD2 TYR 83 1HD TYR 83 -7.492 -27.531 -1.764 602 HE1 TYR 83 2HE TYR 83 -5.829 -22.948 -2.420 603 HE2 TYR 83 1HE TYR 83 -9.082 -25.694 -2.147 604 HH TYR 83 HH TYR 83 -8.218 -22.735 -3.344 605 H TRP 84 H TRP 84 -2.298 -26.237 -2.710 606 HA TRP 84 HA TRP 84 -3.178 -24.156 -4.294 607 HB2 TRP 84 1HB TRP 84 -1.333 -23.610 -3.004 608 HB3 TRP 84 2HB TRP 84 -0.467 -25.084 -3.432 609 HD1 TRP 84 HD TRP 84 1.569 -24.590 -4.880 610 HE1 TRP 84 1HE TRP 84 2.193 -22.853 -6.675 611 HE3 TRP 84 3HE TRP 84 -2.793 -21.926 -4.985 612 HZ2 TRP 84 2HZ TRP 84 0.995 -20.646 -7.963 613 HZ3 TRP 84 3HZ TRP 84 -2.972 -20.016 -6.526 614 HH2 TRP 84 HH TRP 84 -1.116 -19.391 -7.983 615 H LYS 85 H LYS 85 -1.042 -26.840 -5.250 616 HA LYS 85 HA LYS 85 -0.486 -26.212 -7.837 617 HB2 LYS 85 1HB LYS 85 -1.287 -28.950 -6.832 618 HB3 LYS 85 2HB LYS 85 -0.382 -28.623 -8.304 619 HG2 LYS 85 1HG LYS 85 0.704 -27.586 -5.744 620 HG3 LYS 85 2HG LYS 85 0.809 -29.320 -6.056 621 HD2 LYS 85 1HD LYS 85 1.803 -28.674 -8.320 622 HD3 LYS 85 2HD LYS 85 1.988 -27.055 -7.643 623 HE2 LYS 85 1HE LYS 85 3.189 -28.231 -5.698 624 HE3 LYS 85 2HE LYS 85 3.291 -29.618 -6.782 625 HZ1 LYS 85 1HZ LYS 85 4.987 -28.687 -7.832 626 HZ2 LYS 85 2HZ LYS 85 4.997 -27.450 -6.679 627 HZ3 LYS 85 3HZ LYS 85 4.120 -27.261 -8.113 628 H ASP 86 H ASP 86 -3.525 -27.465 -6.576 629 HA ASP 86 HA ASP 86 -4.890 -28.214 -8.803 630 HB2 ASP 86 1HB ASP 86 -6.087 -26.428 -6.678 631 HB3 ASP 86 2HB ASP 86 -6.929 -27.606 -7.680 632 HA PRO 87 HA PRO 87 -4.541 -24.497 -11.293 633 HB2 PRO 87 1HB PRO 87 -5.563 -25.625 -13.540 634 HB3 PRO 87 2HB PRO 87 -3.892 -25.871 -13.017 635 HG2 PRO 87 1HG PRO 87 -6.270 -27.655 -12.663 636 HG3 PRO 87 2HG PRO 87 -4.611 -28.079 -13.126 637 HD2 PRO 87 1HD PRO 87 -5.551 -28.409 -10.607 638 HD3 PRO 87 2HD PRO 87 -3.854 -28.015 -10.950 639 H ASN 88 H ASN 88 -7.348 -26.408 -10.567 640 HA ASN 88 HA ASN 88 -9.174 -24.452 -11.712 641 HB2 ASN 88 1HB ASN 88 -9.644 -27.073 -10.280 642 HB3 ASN 88 2HB ASN 88 -10.938 -26.030 -10.863 643 HD21 ASN 88 1HD2 ASN 88 -8.056 -27.776 -11.918 644 HD22 ASN 88 2HD2 ASN 88 -8.636 -28.130 -13.507 645 H ASN 89 H ASN 89 -7.425 -23.713 -9.484 646 HA ASN 89 HA ASN 89 -9.153 -23.508 -7.172 647 HB2 ASN 89 1HB ASN 89 -6.321 -22.840 -7.796 648 HB3 ASN 89 2HB ASN 89 -7.099 -21.927 -6.507 649 HD21 ASN 89 1HD2 ASN 89 -4.927 -23.626 -6.110 650 HD22 ASN 89 2HD2 ASN 89 -5.438 -24.953 -5.128 651 H ASP 90 H ASP 90 -9.905 -21.552 -6.270 652 HA ASP 90 HA ASP 90 -10.926 -19.700 -8.145 653 HB2 ASP 90 1HB ASP 90 -11.382 -18.375 -5.908 654 HB3 ASP 90 2HB ASP 90 -12.278 -19.845 -6.283 655 H PHE 91 H PHE 91 -7.907 -19.930 -6.628 656 HA PHE 91 HA PHE 91 -7.304 -17.118 -6.583 657 HB2 PHE 91 1HB PHE 91 -5.563 -19.569 -6.276 658 HB3 PHE 91 2HB PHE 91 -4.966 -17.920 -6.127 659 HD1 PHE 91 2HD PHE 91 -5.597 -16.534 -4.230 660 HD2 PHE 91 1HD PHE 91 -6.916 -20.567 -4.562 661 HE1 PHE 91 2HE PHE 91 -6.226 -16.520 -1.851 662 HE2 PHE 91 1HE PHE 91 -7.548 -20.560 -2.184 663 HZ PHE 91 HZ PHE 91 -7.202 -18.535 -0.825 664 H ARG 92 H ARG 92 -6.329 -19.879 -8.601 665 HA ARG 92 HA ARG 92 -4.918 -18.178 -10.453 666 HB2 ARG 92 1HB ARG 92 -5.666 -21.086 -10.791 667 HB3 ARG 92 2HB ARG 92 -4.422 -20.201 -11.664 668 HG2 ARG 92 1HG ARG 92 -2.981 -20.179 -9.850 669 HG3 ARG 92 2HG ARG 92 -4.279 -20.473 -8.691 670 HD2 ARG 92 1HD ARG 92 -4.303 -22.722 -9.080 671 HD3 ARG 92 2HD ARG 92 -3.763 -22.549 -10.749 672 HE ARG 92 HE ARG 92 -2.126 -22.976 -8.465 673 HH11 ARG 92 2HH1 ARG 92 -2.223 -21.374 -11.554 674 HH12 ARG 92 1HH1 ARG 92 -0.503 -21.393 -11.765 675 HH21 ARG 92 2HH2 ARG 92 0.140 -23.008 -8.731 676 HH22 ARG 92 1HH2 ARG 92 0.839 -22.324 -10.159 677 H GLN 93 H GLN 93 -8.130 -18.959 -9.966 678 HA GLN 93 HA GLN 93 -8.837 -18.710 -12.798 679 HB2 GLN 93 1HB GLN 93 -10.531 -19.422 -10.397 680 HB3 GLN 93 2HB GLN 93 -11.121 -19.328 -12.051 681 HG2 GLN 93 1HG GLN 93 -8.811 -21.104 -11.471 682 HG3 GLN 93 2HG GLN 93 -10.421 -21.615 -10.964 683 HE21 GLN 93 1HE2 GLN 93 -8.318 -22.196 -13.233 684 HE22 GLN 93 2HE2 GLN 93 -9.332 -22.401 -14.616 685 H LYS 94 H LYS 94 -9.268 -17.143 -9.676 686 HA LYS 94 HA LYS 94 -10.707 -14.938 -10.968 687 HB2 LYS 94 1HB LYS 94 -10.247 -15.384 -8.016 688 HB3 LYS 94 2HB LYS 94 -11.355 -14.235 -8.754 689 HG2 LYS 94 1HG LYS 94 -12.473 -16.314 -9.786 690 HG3 LYS 94 2HG LYS 94 -11.583 -17.211 -8.554 691 HD2 LYS 94 1HD LYS 94 -12.591 -15.566 -6.879 692 HD3 LYS 94 2HD LYS 94 -13.688 -15.096 -8.180 693 HE2 LYS 94 1HE LYS 94 -14.432 -17.426 -8.376 694 HE3 LYS 94 2HE LYS 94 -13.348 -17.878 -7.061 695 HZ1 LYS 94 1HZ LYS 94 -14.642 -16.080 -5.766 696 HZ2 LYS 94 2HZ LYS 94 -15.350 -17.599 -5.990 697 HZ3 LYS 94 3HZ LYS 94 -15.826 -16.294 -6.955 698 H LEU 95 H LEU 95 -8.060 -15.426 -8.628 699 HA LEU 95 HA LEU 95 -7.091 -12.738 -9.043 700 HB2 LEU 95 1HB LEU 95 -6.001 -15.052 -7.451 701 HB3 LEU 95 2HB LEU 95 -5.278 -13.445 -7.489 702 HG LEU 95 HG LEU 95 -8.085 -13.973 -6.530 703 HD11 LEU 95 1HD1 LEU 95 -6.645 -13.383 -4.302 704 HD12 LEU 95 2HD1 LEU 95 -5.507 -14.387 -5.200 705 HD13 LEU 95 3HD1 LEU 95 -7.108 -15.010 -4.801 706 HD21 LEU 95 1HD2 LEU 95 -8.068 -11.733 -6.870 707 HD22 LEU 95 2HD2 LEU 95 -6.312 -11.614 -6.753 708 HD23 LEU 95 3HD2 LEU 95 -7.287 -11.746 -5.289 709 H LYS 96 H LYS 96 -6.645 -15.762 -10.509 710 HA LYS 96 HA LYS 96 -5.215 -16.560 -12.090 711 HB2 LYS 96 1HB LYS 96 -4.604 -13.645 -12.601 712 HB3 LYS 96 2HB LYS 96 -4.398 -14.980 -13.727 713 HG2 LYS 96 1HG LYS 96 -7.064 -14.149 -12.611 714 HG3 LYS 96 2HG LYS 96 -6.402 -13.537 -14.128 715 HD2 LYS 96 1HD LYS 96 -6.126 -16.072 -14.696 716 HD3 LYS 96 2HD LYS 96 -7.347 -16.288 -13.439 717 HE2 LYS 96 1HE LYS 96 -8.470 -16.141 -15.544 718 HE3 LYS 96 2HE LYS 96 -8.782 -14.650 -14.656 719 HZ1 LYS 96 1HZ LYS 96 -6.574 -14.020 -16.047 720 HZ2 LYS 96 2HZ LYS 96 -8.151 -13.678 -16.553 721 HZ3 LYS 96 3HZ LYS 96 -7.357 -15.054 -17.134 722 H ILE 97 H ILE 97 -4.143 -16.610 -9.571 723 HA ILE 97 HA ILE 97 -1.614 -15.373 -9.337 724 HB ILE 97 HB ILE 97 -2.516 -17.943 -8.034 725 HG12 ILE 97 1HG1 ILE 97 -4.155 -16.458 -7.338 726 HG13 ILE 97 2HG1 ILE 97 -2.930 -16.225 -6.096 727 HG21 ILE 97 1HG2 ILE 97 -0.703 -17.837 -6.695 728 HG22 ILE 97 2HG2 ILE 97 -0.024 -16.937 -8.051 729 HG23 ILE 97 3HG2 ILE 97 -0.693 -16.074 -6.666 730 HD11 ILE 97 1HD1 ILE 97 -2.096 -14.311 -7.609 731 HD12 ILE 97 2HD1 ILE 97 -3.690 -14.432 -8.356 732 HD13 ILE 97 3HD1 ILE 97 -3.546 -14.070 -6.636 733 H THR 98 H THR 98 0.182 -15.763 -10.431 734 HA THR 98 HA THR 98 0.419 -18.035 -12.168 735 HB THR 98 HB THR 98 1.335 -15.877 -12.855 736 HG1 THR 98 1HG THR 98 2.361 -17.959 -13.460 737 HG21 THR 98 1HG2 THR 98 3.205 -14.849 -11.782 738 HG22 THR 98 2HG2 THR 98 3.408 -16.220 -10.691 739 HG23 THR 98 3HG2 THR 98 2.000 -15.169 -10.535 740 H ALA 99 H ALA 99 2.208 -16.894 -9.307 741 HA ALA 99 HA ALA 99 2.674 -19.601 -8.448 742 HB1 ALA 99 1HB ALA 99 4.462 -19.035 -10.208 743 HB2 ALA 99 2HB ALA 99 5.153 -17.997 -8.960 744 HB3 ALA 99 3HB ALA 99 4.986 -19.730 -8.674 745 H VAL 100 H VAL 100 2.768 -19.675 -6.287 746 HA VAL 100 HA VAL 100 2.754 -17.171 -4.817 747 HB VAL 100 HB VAL 100 2.217 -18.577 -2.852 748 HG11 VAL 100 1HG1 VAL 100 0.009 -19.426 -3.738 749 HG12 VAL 100 2HG1 VAL 100 0.363 -17.726 -4.056 750 HG13 VAL 100 3HG1 VAL 100 0.555 -18.923 -5.337 751 HG21 VAL 100 1HG2 VAL 100 3.481 -20.577 -3.618 752 HG22 VAL 100 2HG2 VAL 100 1.845 -20.941 -3.068 753 HG23 VAL 100 3HG2 VAL 100 2.203 -20.884 -4.794 754 HA PRO 101 HA PRO 101 2.943 -16.736 -2.535 755 HB2 PRO 101 1HB PRO 101 4.401 -14.609 -1.688 756 HB3 PRO 101 2HB PRO 101 4.289 -16.120 -0.778 757 HG2 PRO 101 1HG PRO 101 6.460 -15.165 -2.605 758 HG3 PRO 101 2HG PRO 101 6.595 -15.968 -1.030 759 HD2 PRO 101 1HD PRO 101 6.917 -17.290 -3.371 760 HD3 PRO 101 2HD PRO 101 6.236 -18.061 -1.925 761 H THR 102 H THR 102 1.733 -15.049 -3.316 762 HA THR 102 HA THR 102 2.871 -13.526 -5.569 763 HB THR 102 HB THR 102 0.093 -14.692 -5.339 764 HG1 THR 102 1HG THR 102 2.393 -15.261 -6.840 765 HG21 THR 102 1HG2 THR 102 -0.362 -12.654 -6.340 766 HG22 THR 102 2HG2 THR 102 -0.026 -13.673 -7.740 767 HG23 THR 102 3HG2 THR 102 1.212 -12.575 -7.131 768 H LEU 103 H LEU 103 3.118 -11.503 -4.868 769 HA LEU 103 HA LEU 103 1.194 -10.360 -2.995 770 HB2 LEU 103 1HB LEU 103 3.615 -10.120 -2.581 771 HB3 LEU 103 2HB LEU 103 3.760 -9.208 -4.082 772 HG LEU 103 HG LEU 103 2.192 -7.513 -3.074 773 HD11 LEU 103 1HD1 LEU 103 1.217 -8.944 -1.354 774 HD12 LEU 103 2HD1 LEU 103 1.954 -7.506 -0.648 775 HD13 LEU 103 3HD1 LEU 103 2.784 -9.059 -0.554 776 HD21 LEU 103 1HD2 LEU 103 4.195 -7.071 -1.219 777 HD22 LEU 103 2HD2 LEU 103 4.177 -6.519 -2.894 778 HD23 LEU 103 3HD2 LEU 103 4.981 -8.031 -2.472 779 H LEU 104 H LEU 104 -0.609 -9.760 -4.077 780 HA LEU 104 HA LEU 104 -0.317 -8.184 -6.533 781 HB2 LEU 104 1HB LEU 104 -1.855 -9.841 -6.965 782 HB3 LEU 104 2HB LEU 104 -2.512 -9.802 -5.330 783 HG LEU 104 HG LEU 104 -3.589 -7.617 -5.903 784 HD11 LEU 104 1HD1 LEU 104 -1.945 -7.310 -7.884 785 HD12 LEU 104 2HD1 LEU 104 -3.612 -6.761 -8.048 786 HD13 LEU 104 3HD1 LEU 104 -3.111 -8.288 -8.776 787 HD21 LEU 104 1HD2 LEU 104 -5.435 -8.752 -6.441 788 HD22 LEU 104 2HD2 LEU 104 -4.416 -10.190 -6.388 789 HD23 LEU 104 3HD2 LEU 104 -4.723 -9.382 -7.926 790 H LYS 105 H LYS 105 -0.632 -6.057 -6.544 791 HA LYS 105 HA LYS 105 -1.462 -4.746 -4.083 792 HB2 LYS 105 1HB LYS 105 0.536 -3.929 -5.245 793 HB3 LYS 105 2HB LYS 105 -0.423 -3.599 -6.682 794 HG2 LYS 105 1HG LYS 105 -1.661 -1.892 -5.523 795 HG3 LYS 105 2HG LYS 105 -0.845 -2.281 -4.007 796 HD2 LYS 105 1HD LYS 105 1.284 -1.583 -4.949 797 HD3 LYS 105 2HD LYS 105 0.512 -1.261 -6.504 798 HE2 LYS 105 1HE LYS 105 -1.029 0.286 -5.023 799 HE3 LYS 105 2HE LYS 105 0.370 0.265 -3.951 800 HZ1 LYS 105 1HZ LYS 105 1.222 1.850 -5.220 801 HZ2 LYS 105 2HZ LYS 105 -0.007 1.697 -6.371 802 HZ3 LYS 105 3HZ LYS 105 1.373 0.724 -6.474 803 H TYR 106 H TYR 106 -3.667 -5.024 -3.961 804 HA TYR 106 HA TYR 106 -5.561 -4.914 -5.927 805 HB2 TYR 106 1HB TYR 106 -5.740 -5.230 -3.311 806 HB3 TYR 106 2HB TYR 106 -6.163 -3.522 -3.351 807 HD1 TYR 106 2HD TYR 106 -7.020 -6.267 -5.726 808 HD2 TYR 106 1HD TYR 106 -8.441 -3.417 -2.905 809 HE1 TYR 106 2HE TYR 106 -9.337 -6.859 -6.303 810 HE2 TYR 106 1HE TYR 106 -10.761 -4.002 -3.473 811 HH TYR 106 HH TYR 106 -12.088 -5.329 -4.659 812 H GLY 107 H GLY 107 -6.039 -3.448 -7.415 813 HA2 GLY 107 1HA GLY 107 -6.974 -1.194 -7.768 814 HA3 GLY 107 2HA GLY 107 -5.695 -0.596 -6.722 815 H THR 108 H THR 108 -3.589 -2.185 -7.815 816 HA THR 108 HA THR 108 -3.385 -1.047 -10.527 817 HB THR 108 HB THR 108 -0.975 -0.681 -10.125 818 HG1 THR 108 1HG THR 108 -1.169 -2.276 -8.191 819 HG21 THR 108 1HG2 THR 108 -2.422 1.211 -9.825 820 HG22 THR 108 2HG2 THR 108 -1.225 1.230 -8.530 821 HG23 THR 108 3HG2 THR 108 -2.867 0.675 -8.206 822 HA PRO 109 HA PRO 109 -2.293 -5.069 -11.924 823 HB2 PRO 109 1HB PRO 109 -0.731 -4.437 -14.052 824 HB3 PRO 109 2HB PRO 109 -2.487 -4.235 -14.056 825 HG2 PRO 109 1HG PRO 109 -0.346 -2.194 -13.593 826 HG3 PRO 109 2HG PRO 109 -1.827 -2.062 -14.559 827 HD2 PRO 109 1HD PRO 109 -1.617 -1.029 -12.065 828 HD3 PRO 109 2HD PRO 109 -3.146 -1.659 -12.711 829 H GLN 110 H GLN 110 -0.150 -3.053 -10.405 830 HA GLN 110 HA GLN 110 2.311 -4.397 -10.968 831 HB2 GLN 110 1HB GLN 110 1.410 -2.320 -9.020 832 HB3 GLN 110 2HB GLN 110 2.924 -3.161 -8.715 833 HG2 GLN 110 1HG GLN 110 3.445 -2.516 -11.189 834 HG3 GLN 110 2HG GLN 110 2.203 -1.294 -10.920 835 HE21 GLN 110 1HE2 GLN 110 2.571 -0.401 -8.474 836 HE22 GLN 110 2HE2 GLN 110 4.155 0.255 -8.255 837 H LYS 111 H LYS 111 2.876 -6.336 -10.265 838 HA LYS 111 HA LYS 111 2.041 -7.190 -7.588 839 HB2 LYS 111 1HB LYS 111 1.599 -9.485 -8.504 840 HB3 LYS 111 2HB LYS 111 0.436 -8.262 -8.998 841 HG2 LYS 111 1HG LYS 111 0.780 -9.268 -11.000 842 HG3 LYS 111 2HG LYS 111 2.071 -8.066 -11.069 843 HD2 LYS 111 1HD LYS 111 3.254 -9.940 -11.632 844 HD3 LYS 111 2HD LYS 111 3.442 -9.984 -9.877 845 HE2 LYS 111 1HE LYS 111 2.851 -12.180 -10.618 846 HE3 LYS 111 2HE LYS 111 1.463 -11.496 -9.773 847 HZ1 LYS 111 1HZ LYS 111 0.904 -10.760 -12.251 848 HZ2 LYS 111 2HZ LYS 111 0.401 -12.238 -11.602 849 HZ3 LYS 111 3HZ LYS 111 1.774 -12.171 -12.587 850 H LEU 112 H LEU 112 3.338 -8.960 -6.729 851 HA LEU 112 HA LEU 112 5.976 -9.191 -8.015 852 HB2 LEU 112 1HB LEU 112 5.488 -8.958 -5.052 853 HB3 LEU 112 2HB LEU 112 7.051 -9.068 -5.860 854 HG LEU 112 HG LEU 112 5.130 -6.758 -6.143 855 HD11 LEU 112 1HD1 LEU 112 7.565 -7.115 -4.410 856 HD12 LEU 112 2HD1 LEU 112 5.915 -6.766 -3.895 857 HD13 LEU 112 3HD1 LEU 112 6.839 -5.549 -4.776 858 HD21 LEU 112 1HD2 LEU 112 6.931 -7.428 -7.949 859 HD22 LEU 112 2HD2 LEU 112 8.025 -6.637 -6.814 860 HD23 LEU 112 3HD2 LEU 112 6.665 -5.744 -7.497 861 H VAL 113 H VAL 113 6.524 -11.223 -8.416 862 HA VAL 113 HA VAL 113 5.019 -13.390 -7.195 863 HB VAL 113 HB VAL 113 7.237 -13.967 -9.083 864 HG11 VAL 113 1HG1 VAL 113 5.001 -15.237 -9.971 865 HG12 VAL 113 2HG1 VAL 113 6.143 -15.909 -8.805 866 HG13 VAL 113 3HG1 VAL 113 4.671 -15.113 -8.244 867 HG21 VAL 113 1HG2 VAL 113 6.432 -12.061 -10.205 868 HG22 VAL 113 2HG2 VAL 113 5.644 -13.428 -10.992 869 HG23 VAL 113 3HG2 VAL 113 4.753 -12.447 -9.829 870 H GLU 114 H GLU 114 6.441 -15.454 -6.795 871 HA GLU 114 HA GLU 114 7.709 -15.380 -4.467 872 HB2 GLU 114 1HB GLU 114 8.991 -16.970 -6.675 873 HB3 GLU 114 2HB GLU 114 8.811 -17.398 -4.980 874 HG2 GLU 114 1HG GLU 114 6.311 -17.436 -5.408 875 HG3 GLU 114 2HG GLU 114 6.714 -17.376 -7.123 876 H SER 115 H SER 115 9.504 -14.969 -7.522 877 HA SER 115 HA SER 115 11.966 -14.327 -6.345 878 HB2 SER 115 1HB SER 115 11.291 -14.877 -8.843 879 HB3 SER 115 2HB SER 115 11.209 -13.121 -8.975 880 HG SER 115 HG SER 115 13.301 -14.105 -9.453 881 H GLU 116 H GLU 116 9.451 -12.182 -7.673 882 HA GLU 116 HA GLU 116 10.761 -9.786 -6.894 883 HB2 GLU 116 1HB GLU 116 7.822 -10.199 -7.468 884 HB3 GLU 116 2HB GLU 116 8.689 -8.670 -7.490 885 HG2 GLU 116 1HG GLU 116 10.119 -9.678 -9.327 886 HG3 GLU 116 2HG GLU 116 8.914 -10.962 -9.410 887 H CYS 117 H CYS 117 9.209 -12.132 -5.094 888 HA CYS 117 HA CYS 117 8.199 -10.307 -3.060 889 HB2 CYS 117 1HB CYS 117 8.113 -13.308 -3.360 890 HB3 CYS 117 2HB CYS 117 7.558 -12.484 -1.907 891 HG CYS 117 HG CYS 117 6.259 -11.963 -5.031 892 H CYS 118 H CYS 118 11.024 -12.071 -3.788 893 HA CYS 118 HA CYS 118 11.949 -11.946 -1.004 894 HB2 CYS 118 1HB CYS 118 12.209 -14.135 -1.968 895 HB3 CYS 118 2HB CYS 118 12.993 -13.469 -3.395 896 HG CYS 118 HG CYS 118 15.357 -13.858 -2.502 897 H GLN 119 H GLN 119 12.020 -10.144 -3.762 898 HA GLN 119 HA GLN 119 14.748 -9.159 -3.374 899 HB2 GLN 119 1HB GLN 119 12.740 -8.977 -5.570 900 HB3 GLN 119 2HB GLN 119 13.926 -7.687 -5.423 901 HG2 GLN 119 1HG GLN 119 14.386 -9.758 -6.939 902 HG3 GLN 119 2HG GLN 119 15.678 -9.040 -5.979 903 HE21 GLN 119 1HE2 GLN 119 13.891 -11.836 -6.643 904 HE22 GLN 119 2HE2 GLN 119 14.558 -12.850 -5.414 905 H SER 120 H SER 120 14.531 -8.015 -1.451 906 HA SER 120 HA SER 120 12.581 -6.329 -0.599 907 HB2 SER 120 1HB SER 120 14.705 -4.904 0.235 908 HB3 SER 120 2HB SER 120 14.239 -6.439 0.970 909 HG SER 120 HG SER 120 16.163 -6.088 -1.090 910 H SER 121 H SER 121 15.138 -5.557 -2.918 911 HA SER 121 HA SER 121 14.782 -2.851 -3.225 912 HB2 SER 121 1HB SER 121 16.479 -4.362 -4.386 913 HB3 SER 121 2HB SER 121 15.218 -4.699 -5.572 914 HG SER 121 HG SER 121 16.016 -2.067 -4.908 915 H LEU 122 H LEU 122 12.849 -5.469 -4.569 916 HA LEU 122 HA LEU 122 11.191 -3.686 -6.115 917 HB2 LEU 122 1HB LEU 122 11.055 -6.626 -5.498 918 HB3 LEU 122 2HB LEU 122 9.812 -5.792 -6.428 919 HG LEU 122 HG LEU 122 12.705 -5.818 -7.255 920 HD11 LEU 122 1HD1 LEU 122 10.619 -7.899 -7.548 921 HD12 LEU 122 2HD1 LEU 122 12.372 -8.054 -7.446 922 HD13 LEU 122 3HD1 LEU 122 11.619 -7.548 -8.958 923 HD21 LEU 122 1HD2 LEU 122 11.643 -5.398 -9.488 924 HD22 LEU 122 2HD2 LEU 122 11.456 -4.093 -8.317 925 HD23 LEU 122 3HD2 LEU 122 10.109 -5.184 -8.644 926 H VAL 123 H VAL 123 10.910 -5.524 -3.106 927 HA VAL 123 HA VAL 123 8.230 -5.079 -2.535 928 HB VAL 123 HB VAL 123 10.560 -5.287 -0.626 929 HG11 VAL 123 1HG1 VAL 123 9.047 -5.605 1.149 930 HG12 VAL 123 2HG1 VAL 123 8.457 -4.184 0.285 931 HG13 VAL 123 3HG1 VAL 123 7.670 -5.746 0.057 932 HG21 VAL 123 1HG2 VAL 123 10.524 -7.464 -1.063 933 HG22 VAL 123 2HG2 VAL 123 8.814 -7.544 -0.637 934 HG23 VAL 123 3HG2 VAL 123 9.294 -7.183 -2.295 935 H GLU 124 H GLU 124 11.048 -3.061 -1.774 936 HA GLU 124 HA GLU 124 9.579 -1.072 -0.379 937 HB2 GLU 124 1HB GLU 124 11.603 0.264 -0.514 938 HB3 GLU 124 2HB GLU 124 12.008 -1.396 -0.101 939 HG2 GLU 124 1HG GLU 124 12.776 -1.839 -2.312 940 HG3 GLU 124 2HG GLU 124 12.163 -0.291 -2.893 941 H MET 125 H MET 125 10.242 -1.666 -3.732 942 HA MET 125 HA MET 125 9.656 0.967 -4.666 943 HB2 MET 125 1HB MET 125 11.010 -0.675 -5.945 944 HB3 MET 125 2HB MET 125 9.564 -1.647 -6.181 945 HG2 MET 125 1HG MET 125 9.486 1.196 -7.024 946 HG3 MET 125 2HG MET 125 10.417 0.061 -7.998 947 HE1 MET 125 1HE MET 125 9.568 -2.247 -8.323 948 HE2 MET 125 2HE MET 125 7.881 -2.746 -8.443 949 HE3 MET 125 3HE MET 125 8.664 -1.947 -9.807 950 H ILE 126 H ILE 126 7.838 -2.069 -5.138 951 HA ILE 126 HA ILE 126 5.506 -1.132 -6.131 952 HB ILE 126 HB ILE 126 6.118 -3.540 -5.480 953 HG12 ILE 126 1HG1 ILE 126 3.267 -2.852 -4.829 954 HG13 ILE 126 2HG1 ILE 126 3.902 -2.579 -6.448 955 HG21 ILE 126 1HG2 ILE 126 6.128 -2.653 -2.964 956 HG22 ILE 126 2HG2 ILE 126 4.450 -3.183 -3.062 957 HG23 ILE 126 3HG2 ILE 126 5.756 -4.325 -3.383 958 HD11 ILE 126 1HD1 ILE 126 4.127 -5.246 -5.107 959 HD12 ILE 126 2HD1 ILE 126 2.681 -4.767 -5.996 960 HD13 ILE 126 3HD1 ILE 126 4.236 -4.855 -6.822 961 H PHE 127 H PHE 127 6.669 -0.710 -2.879 962 HA PHE 127 HA PHE 127 4.116 0.368 -1.973 963 HB2 PHE 127 1HB PHE 127 6.736 0.006 -0.503 964 HB3 PHE 127 2HB PHE 127 5.229 0.554 0.225 965 HD1 PHE 127 2HD PHE 127 3.299 -1.271 -1.073 966 HD2 PHE 127 1HD PHE 127 7.160 -2.016 0.557 967 HE1 PHE 127 2HE PHE 127 2.661 -3.607 -0.638 968 HE2 PHE 127 1HE PHE 127 6.528 -4.354 0.993 969 HZ PHE 127 HZ PHE 127 4.276 -5.152 0.397 970 H SER 128 H SER 128 7.464 1.424 -2.466 971 HA SER 128 HA SER 128 7.317 4.021 -1.573 972 HB2 SER 128 1HB SER 128 8.919 2.648 -3.679 973 HB3 SER 128 2HB SER 128 8.957 4.410 -3.638 974 HG SER 128 HG SER 128 10.266 2.702 -2.083 975 H GLU 129 H GLU 129 6.619 2.879 -4.876 976 HA GLU 129 HA GLU 129 5.696 4.032 -6.656 977 HB2 GLU 129 1HB GLU 129 3.414 4.028 -6.429 978 HB3 GLU 129 2HB GLU 129 3.857 3.052 -5.034 979 HG2 GLU 129 1HG GLU 129 3.886 5.425 -3.857 980 HG3 GLU 129 2HG GLU 129 2.760 5.799 -5.161 981 H ASP 130 H ASP 130 7.467 5.703 -5.081 982 HA ASP 130 HA ASP 130 6.152 8.319 -5.417 983 HB2 ASP 130 1HB ASP 130 6.771 8.024 -3.117 984 HB3 ASP 130 2HB ASP 130 8.385 7.478 -3.564
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