NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22496 | 2joy | 15210 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -1.053 17.711 -7.253 2 2H MET 1 2H MET 1 0.321 16.738 -7.431 3 3H MET 1 3H MET 1 -0.408 16.897 -5.910 4 HA MET 1 HA MET 1 -2.411 15.821 -6.758 5 1HB MET 1 2HB MET 1 -0.679 15.423 -9.211 6 2HB MET 1 1HB MET 1 -2.201 14.591 -8.925 7 1HG MET 1 2HG MET 1 -3.375 16.731 -8.928 8 2HG MET 1 1HG MET 1 -1.849 17.567 -9.206 9 1HE MET 1 1HE MET 1 -3.810 14.694 -12.240 10 2HE MET 1 2HE MET 1 -4.493 15.078 -10.659 11 3HE MET 1 3HE MET 1 -3.007 14.132 -10.772 12 HA PRO 2 HA PRO 2 -0.647 12.408 -4.637 13 1HB PRO 2 2HB PRO 2 -2.678 10.712 -5.974 14 2HB PRO 2 1HB PRO 2 -2.381 10.968 -4.251 15 1HG PRO 2 2HG PRO 2 -4.496 12.063 -5.450 16 2HG PRO 2 1HG PRO 2 -3.594 12.941 -4.201 17 1HD PRO 2 2HD PRO 2 -3.515 13.267 -7.177 18 2HD PRO 2 1HD PRO 2 -3.475 14.505 -5.905 19 H ALA 3 H ALA 3 1.291 12.008 -5.501 20 HA ALA 3 HA ALA 3 1.611 9.653 -7.096 21 1HB ALA 3 1HB ALA 3 1.251 11.282 -8.899 22 2HB ALA 3 2HB ALA 3 2.911 10.686 -8.903 23 3HB ALA 3 3HB ALA 3 2.549 12.285 -8.254 24 H ILE 4 H ILE 4 3.205 8.669 -5.991 25 HA ILE 4 HA ILE 4 4.790 8.346 -4.397 26 HB ILE 4 HB ILE 4 6.079 10.828 -5.558 27 1HG1 ILE 4 2HG1 ILE 4 5.563 9.232 -7.335 28 2HG1 ILE 4 1HG1 ILE 4 7.298 9.299 -7.053 29 1HG2 ILE 4 1HG2 ILE 4 7.090 10.098 -3.457 30 2HG2 ILE 4 2HG2 ILE 4 8.187 9.801 -4.804 31 3HG2 ILE 4 3HG2 ILE 4 7.276 8.466 -4.100 32 1HD1 ILE 4 1HD1 ILE 4 7.189 7.219 -5.792 33 2HD1 ILE 4 2HD1 ILE 4 6.538 7.018 -7.418 34 3HD1 ILE 4 3HD1 ILE 4 5.444 7.154 -6.042 35 H GLU 5 H GLU 5 2.582 9.440 -3.510 36 HA GLU 5 HA GLU 5 3.328 10.941 -1.203 37 1HB GLU 5 2HB GLU 5 3.124 12.705 -3.013 38 2HB GLU 5 1HB GLU 5 1.430 12.268 -3.159 39 1HG GLU 5 2HG GLU 5 0.998 12.996 -0.905 40 2HG GLU 5 1HG GLU 5 2.717 13.283 -0.633 41 H VAL 6 H VAL 6 1.153 11.484 0.009 42 HA VAL 6 HA VAL 6 -0.127 9.088 0.562 43 HB VAL 6 HB VAL 6 -1.763 10.402 1.834 44 1HG1 VAL 6 1HG1 VAL 6 0.436 9.938 2.793 45 2HG1 VAL 6 2HG1 VAL 6 -0.196 11.488 3.348 46 3HG1 VAL 6 3HG1 VAL 6 1.054 11.440 2.105 47 1HG2 VAL 6 1HG2 VAL 6 -1.677 12.838 1.850 48 2HG2 VAL 6 2HG2 VAL 6 -2.059 12.244 0.233 49 3HG2 VAL 6 3HG2 VAL 6 -0.432 12.818 0.603 50 HN2 GLY 7 H GLY 7 -2.147 8.256 0.108 51 1HA GLY 7 2HA GLY 7 -4.301 8.270 -0.849 52 2HA GLY 7 1HA GLY 7 -3.836 9.658 -1.824 53 H ARG 8 H ARG 8 -1.352 8.448 -2.767 54 HA ARG 8 HA ARG 8 -2.564 7.004 -4.961 55 1HB ARG 8 2HB ARG 8 -0.763 8.800 -5.177 56 2HB ARG 8 1HB ARG 8 0.370 7.586 -4.597 57 1HG ARG 8 2HG ARG 8 0.435 7.687 -7.003 58 2HG ARG 8 1HG ARG 8 -0.241 6.138 -6.487 59 1HD ARG 8 2HD ARG 8 -2.512 7.070 -6.832 60 2HD ARG 8 1HD ARG 8 -1.781 8.545 -7.457 61 HE ARG 8 HE ARG 8 -1.351 5.925 -8.746 62 1HH1 ARG 8 1HH1 ARG 8 -2.203 9.320 -8.905 63 2HH1 ARG 8 2HH1 ARG 8 -2.417 9.314 -10.626 64 1HH2 ARG 8 1HH2 ARG 8 -1.610 5.922 -11.008 65 2HH2 ARG 8 2HH2 ARG 8 -2.072 7.391 -11.829 66 H ILE 9 H ILE 9 -2.636 4.865 -5.157 67 HA ILE 9 HA ILE 9 -1.382 3.216 -3.130 68 HB ILE 9 HB ILE 9 -3.170 2.393 -5.428 69 1HG1 ILE 9 2HG1 ILE 9 -3.885 2.951 -2.535 70 2HG1 ILE 9 1HG1 ILE 9 -4.252 4.012 -3.894 71 1HG2 ILE 9 1HG2 ILE 9 -3.555 0.369 -4.095 72 2HG2 ILE 9 2HG2 ILE 9 -2.401 0.944 -2.894 73 3HG2 ILE 9 3HG2 ILE 9 -1.853 0.549 -4.522 74 1HD1 ILE 9 1HD1 ILE 9 -5.685 2.306 -4.853 75 2HD1 ILE 9 2HD1 ILE 9 -6.183 2.692 -3.205 76 3HD1 ILE 9 3HD1 ILE 9 -5.289 1.208 -3.531 77 H CYS 10 H CYS 10 0.161 1.654 -3.495 78 HA CYS 10 HA CYS 10 1.313 1.491 -6.196 79 1HB CYS 10 2HB CYS 10 3.566 1.299 -5.063 80 2HB CYS 10 1HB CYS 10 2.818 2.891 -4.974 81 HG CYS 10 HG CYS 10 1.729 1.618 -2.318 82 H VAL 11 H VAL 11 2.689 -0.498 -6.455 83 HA VAL 11 HA VAL 11 1.876 -2.720 -4.751 84 HB VAL 11 HB VAL 11 0.093 -2.552 -6.434 85 1HG1 VAL 11 1HG1 VAL 11 1.337 -1.486 -8.230 86 2HG1 VAL 11 2HG1 VAL 11 0.550 -2.957 -8.800 87 3HG1 VAL 11 3HG1 VAL 11 2.279 -2.961 -8.463 88 1HG2 VAL 11 1HG2 VAL 11 0.645 -4.758 -5.604 89 2HG2 VAL 11 2HG2 VAL 11 1.887 -4.934 -6.844 90 3HG2 VAL 11 3HG2 VAL 11 0.187 -4.846 -7.305 91 H LYS 12 H LYS 12 3.211 -4.558 -4.958 92 HA LYS 12 HA LYS 12 5.870 -4.132 -5.853 93 1HB LYS 12 2HB LYS 12 4.380 -6.623 -5.045 94 2HB LYS 12 1HB LYS 12 6.052 -6.669 -5.581 95 1HG LYS 12 2HG LYS 12 6.669 -5.168 -3.750 96 2HG LYS 12 1HG LYS 12 4.989 -5.155 -3.208 97 1HD LYS 12 2HD LYS 12 5.086 -7.583 -2.883 98 2HD LYS 12 1HD LYS 12 6.774 -7.577 -3.401 99 1HE LYS 12 2HE LYS 12 7.449 -6.338 -1.515 100 2HE LYS 12 1HE LYS 12 5.787 -5.926 -1.095 101 1HZ LYS 12 1HZ LYS 12 6.600 -7.639 0.366 102 2HZ LYS 12 2HZ LYS 12 7.016 -8.633 -0.950 103 3HZ LYS 12 3HZ LYS 12 5.388 -8.289 -0.630 104 H VAL 13 H VAL 13 6.095 -3.680 -7.970 105 HA VAL 13 HA VAL 13 4.571 -4.823 -10.042 106 HB VAL 13 HB VAL 13 5.650 -2.685 -10.340 107 1HG1 VAL 13 1HG1 VAL 13 8.269 -4.167 -10.171 108 2HG1 VAL 13 2HG1 VAL 13 7.631 -3.033 -8.979 109 3HG1 VAL 13 3HG1 VAL 13 8.075 -2.465 -10.588 110 1HG2 VAL 13 1HG2 VAL 13 6.797 -4.743 -12.221 111 2HG2 VAL 13 2HG2 VAL 13 6.675 -3.012 -12.538 112 3HG2 VAL 13 3HG2 VAL 13 5.211 -3.981 -12.348 113 H LYS 14 H LYS 14 7.676 -5.691 -8.639 114 HA LYS 14 HA LYS 14 7.527 -8.270 -9.984 115 1HB LYS 14 2HB LYS 14 9.904 -6.410 -10.111 116 2HB LYS 14 1HB LYS 14 10.019 -8.133 -10.437 117 1HG LYS 14 2HG LYS 14 8.469 -7.901 -12.297 118 2HG LYS 14 1HG LYS 14 8.300 -6.179 -11.954 119 1HD LYS 14 2HD LYS 14 10.634 -5.808 -12.457 120 2HD LYS 14 1HD LYS 14 10.899 -7.539 -12.670 121 1HE LYS 14 2HE LYS 14 10.707 -6.389 -14.820 122 2HE LYS 14 1HE LYS 14 9.399 -7.547 -14.590 123 1HZ LYS 14 1HZ LYS 14 9.130 -4.635 -14.056 124 2HZ LYS 14 2HZ LYS 14 7.888 -5.795 -14.104 125 3HZ LYS 14 3HZ LYS 14 8.705 -5.371 -15.523 126 HN2 GLY 15 H GLY 15 8.435 -9.939 -8.825 127 1HA GLY 15 2HA GLY 15 10.172 -10.233 -6.882 128 2HA GLY 15 1HA GLY 15 8.953 -9.309 -6.010 129 H ARG 16 H ARG 16 6.632 -10.266 -6.788 130 HA ARG 16 HA ARG 16 6.601 -13.116 -7.095 131 1HB ARG 16 2HB ARG 16 6.853 -12.603 -4.554 132 2HB ARG 16 1HB ARG 16 5.171 -12.093 -4.653 133 1HG ARG 16 2HG ARG 16 4.477 -14.270 -5.346 134 2HG ARG 16 1HG ARG 16 6.151 -14.804 -5.516 135 1HD ARG 16 2HD ARG 16 6.422 -14.360 -3.050 136 2HD ARG 16 1HD ARG 16 4.673 -14.131 -2.980 137 HE ARG 16 HE ARG 16 5.309 -16.597 -4.226 138 1HH1 ARG 16 1HH1 ARG 16 5.200 -15.067 -1.088 139 2HH1 ARG 16 2HH1 ARG 16 4.996 -16.552 -0.222 140 1HH2 ARG 16 1HH2 ARG 16 5.009 -18.571 -3.102 141 2HH2 ARG 16 2HH2 ARG 16 4.829 -18.545 -1.368 142 H GLU 17 H GLU 17 5.825 -11.516 -8.888 143 HA GLU 17 HA GLU 17 4.182 -10.940 -10.304 144 1HB GLU 17 2HB GLU 17 2.617 -12.742 -8.490 145 2HB GLU 17 1HB GLU 17 1.822 -11.867 -9.790 146 1HG GLU 17 2HG GLU 17 2.349 -14.070 -10.545 147 2HG GLU 17 1HG GLU 17 3.386 -12.924 -11.392 148 H ALA 18 H ALA 18 2.064 -10.884 -7.440 149 HA ALA 18 HA ALA 18 2.165 -8.020 -7.213 150 1HB ALA 18 1HB ALA 18 -0.132 -7.582 -7.948 151 2HB ALA 18 2HB ALA 18 -0.291 -9.266 -8.453 152 3HB ALA 18 3HB ALA 18 0.860 -8.205 -9.266 153 HN2 GLY 19 H GLY 19 2.471 -10.205 -5.426 154 1HA GLY 19 2HA GLY 19 -0.034 -10.537 -4.006 155 2HA GLY 19 1HA GLY 19 1.491 -11.312 -3.620 156 H SER 20 H SER 20 1.361 -7.842 -4.009 157 HA SER 20 HA SER 20 0.882 -7.340 -1.210 158 1HB SER 20 2HB SER 20 3.599 -6.679 -2.371 159 2HB SER 20 1HB SER 20 3.032 -6.273 -0.752 160 HG SER 20 HG SER 20 2.706 -8.883 -1.075 161 H LYS 21 H LYS 21 -0.240 -5.530 -1.095 162 HA LYS 21 HA LYS 21 0.257 -3.392 -3.061 163 1HB LYS 21 2HB LYS 21 -2.360 -4.329 -1.866 164 2HB LYS 21 1HB LYS 21 -2.184 -2.793 -2.706 165 1HG LYS 21 2HG LYS 21 -1.794 -3.824 -4.761 166 2HG LYS 21 1HG LYS 21 -1.401 -5.371 -4.014 167 1HD LYS 21 2HD LYS 21 -4.140 -4.114 -3.927 168 2HD LYS 21 1HD LYS 21 -3.637 -5.290 -5.144 169 1HE LYS 21 2HE LYS 21 -3.061 -6.839 -3.251 170 2HE LYS 21 1HE LYS 21 -3.844 -5.692 -2.167 171 1HZ LYS 21 1HZ LYS 21 -5.297 -7.528 -2.853 172 2HZ LYS 21 2HZ LYS 21 -5.184 -7.015 -4.463 173 3HZ LYS 21 3HZ LYS 21 -5.916 -6.017 -3.307 174 H CYS 22 H CYS 22 0.460 -1.317 -2.247 175 HA CYS 22 HA CYS 22 0.094 -0.919 0.631 176 1HB CYS 22 2HB CYS 22 2.734 -0.412 -0.753 177 2HB CYS 22 1HB CYS 22 2.370 -0.119 0.943 178 HG CYS 22 HG CYS 22 1.636 -3.158 0.744 179 H VAL 23 H VAL 23 0.271 1.334 1.276 180 HA VAL 23 HA VAL 23 0.141 3.251 -0.955 181 HB VAL 23 HB VAL 23 -2.126 2.802 -0.023 182 1HG1 VAL 23 1HG1 VAL 23 -0.986 3.984 2.501 183 2HG1 VAL 23 2HG1 VAL 23 -1.555 2.332 2.274 184 3HG1 VAL 23 3HG1 VAL 23 -2.695 3.673 2.204 185 1HG2 VAL 23 1HG2 VAL 23 -1.625 4.939 -1.085 186 2HG2 VAL 23 2HG2 VAL 23 -1.085 5.593 0.462 187 3HG2 VAL 23 3HG2 VAL 23 -2.775 5.144 0.235 188 H ILE 24 H ILE 24 1.030 5.308 -0.530 189 HA ILE 24 HA ILE 24 3.058 5.315 1.539 190 HB ILE 24 HB ILE 24 2.404 7.444 -0.511 191 1HG1 ILE 24 2HG1 ILE 24 4.541 5.304 -0.554 192 2HG1 ILE 24 1HG1 ILE 24 3.070 5.286 -1.521 193 1HG2 ILE 24 1HG2 ILE 24 3.626 8.349 1.384 194 2HG2 ILE 24 2HG2 ILE 24 4.670 8.273 -0.034 195 3HG2 ILE 24 3HG2 ILE 24 4.832 7.068 1.242 196 1HD1 ILE 24 1HD1 ILE 24 5.292 7.310 -1.698 197 2HD1 ILE 24 2HD1 ILE 24 3.815 7.321 -2.663 198 3HD1 ILE 24 3HD1 ILE 24 4.973 6.001 -2.838 199 H VAL 25 H VAL 25 2.923 6.347 3.445 200 HA VAL 25 HA VAL 25 0.595 8.102 3.864 201 HB VAL 25 HB VAL 25 0.426 6.086 5.189 202 1HG1 VAL 25 1HG1 VAL 25 2.764 5.470 5.347 203 2HG1 VAL 25 2HG1 VAL 25 2.052 5.557 6.957 204 3HG1 VAL 25 3HG1 VAL 25 3.085 6.864 6.378 205 1HG2 VAL 25 1HG2 VAL 25 0.151 7.073 7.398 206 2HG2 VAL 25 2HG2 VAL 25 -0.436 8.158 6.139 207 3HG2 VAL 25 3HG2 VAL 25 1.121 8.460 6.908 208 H ASP 26 H ASP 26 4.050 7.733 4.429 209 HA ASP 26 HA ASP 26 4.145 10.581 5.133 210 1HB ASP 26 2HB ASP 26 4.382 9.304 7.219 211 2HB ASP 26 1HB ASP 26 5.731 8.407 6.527 212 H ILE 27 H ILE 27 5.607 11.718 4.091 213 HA ILE 27 HA ILE 27 7.497 10.275 2.356 214 HB ILE 27 HB ILE 27 6.394 13.087 2.087 215 1HG1 ILE 27 2HG1 ILE 27 5.577 12.057 -0.150 216 2HG1 ILE 27 1HG1 ILE 27 5.825 10.510 0.645 217 1HG2 ILE 27 1HG2 ILE 27 8.356 11.603 0.349 218 2HG2 ILE 27 2HG2 ILE 27 8.677 13.038 1.323 219 3HG2 ILE 27 3HG2 ILE 27 7.599 13.140 -0.068 220 1HD1 ILE 27 1HD1 ILE 27 4.003 12.704 1.597 221 2HD1 ILE 27 2HD1 ILE 27 4.240 11.142 2.383 222 3HD1 ILE 27 3HD1 ILE 27 3.510 11.223 0.780 223 H ILE 28 H ILE 28 9.582 10.369 2.923 224 HA ILE 28 HA ILE 28 10.425 12.345 4.903 225 HB ILE 28 HB ILE 28 11.904 9.956 3.771 226 1HG1 ILE 28 2HG1 ILE 28 11.750 9.259 6.258 227 2HG1 ILE 28 1HG1 ILE 28 10.487 10.475 6.376 228 1HG2 ILE 28 1HG2 ILE 28 12.770 11.868 5.933 229 2HG2 ILE 28 2HG2 ILE 28 13.456 11.753 4.313 230 3HG2 ILE 28 3HG2 ILE 28 13.624 10.407 5.439 231 1HD1 ILE 28 1HD1 ILE 28 10.462 8.085 4.549 232 2HD1 ILE 28 2HD1 ILE 28 9.187 9.296 4.689 233 3HD1 ILE 28 3HD1 ILE 28 9.566 8.253 6.061 234 H ASP 29 H ASP 29 11.190 11.243 1.635 235 HA ASP 29 HA ASP 29 11.976 13.894 0.859 236 1HB ASP 29 2HB ASP 29 14.029 12.536 1.937 237 2HB ASP 29 1HB ASP 29 14.117 11.904 0.303 238 H ASP 30 H ASP 30 13.365 13.188 -1.471 239 HA ASP 30 HA ASP 30 11.189 12.438 -3.151 240 1HB ASP 30 2HB ASP 30 14.051 13.124 -3.574 241 2HB ASP 30 1HB ASP 30 13.231 12.250 -4.862 242 H ASN 31 H ASN 31 13.911 10.696 -1.829 243 HA ASN 31 HA ASN 31 13.078 8.286 -3.281 244 1HB ASN 31 2HB ASN 31 15.615 9.089 -1.908 245 2HB ASN 31 1HB ASN 31 15.241 7.381 -2.090 246 1HD2 ASN 31 1HD2 ASN 31 15.275 6.451 -4.104 247 2HD2 ASN 31 2HD2 ASN 31 15.964 7.242 -5.483 248 H PHE 32 H PHE 32 13.691 9.478 -0.008 249 HA PHE 32 HA PHE 32 13.026 6.954 1.178 250 1HB PHE 32 2HB PHE 32 13.461 9.656 2.466 251 2HB PHE 32 1HB PHE 32 13.355 8.121 3.319 252 HD1 PHE 32 HD1 PHE 32 15.136 6.438 3.065 253 HD2 PHE 32 HD2 PHE 32 15.455 10.319 1.349 254 HE1 PHE 32 HE1 PHE 32 17.556 6.110 2.781 255 HE2 PHE 32 HE2 PHE 32 17.879 9.996 1.060 256 HZ PHE 32 HZ PHE 32 18.932 7.887 1.776 257 H VAL 33 H VAL 33 11.000 6.289 1.115 258 HA VAL 33 HA VAL 33 8.922 8.107 2.111 259 HB VAL 33 HB VAL 33 7.292 7.060 0.549 260 1HG1 VAL 33 1HG1 VAL 33 8.276 9.240 0.050 261 2HG1 VAL 33 2HG1 VAL 33 7.960 8.329 -1.425 262 3HG1 VAL 33 3HG1 VAL 33 9.604 8.450 -0.799 263 1HG2 VAL 33 1HG2 VAL 33 8.527 4.995 0.088 264 2HG2 VAL 33 2HG2 VAL 33 9.745 5.920 -0.788 265 3HG2 VAL 33 3HG2 VAL 33 8.094 5.835 -1.402 266 H LEU 34 H LEU 34 7.219 7.122 3.257 267 HA LEU 34 HA LEU 34 7.827 4.406 4.216 268 1HB LEU 34 2HB LEU 34 7.770 6.113 5.956 269 2HB LEU 34 1HB LEU 34 6.168 6.610 5.447 270 HG LEU 34 HG LEU 34 5.328 4.342 6.089 271 1HD1 LEU 34 1HD1 LEU 34 6.730 2.985 7.579 272 2HD1 LEU 34 2HD1 LEU 34 8.088 4.064 7.260 273 3HD1 LEU 34 3HD1 LEU 34 7.400 3.105 5.952 274 1HD2 LEU 34 1HD2 LEU 34 5.041 6.239 7.574 275 2HD2 LEU 34 2HD2 LEU 34 6.646 5.969 8.258 276 3HD2 LEU 34 3HD2 LEU 34 5.368 4.775 8.503 277 H VAL 35 H VAL 35 6.649 2.854 3.346 278 HA VAL 35 HA VAL 35 3.931 3.486 2.412 279 HB VAL 35 HB VAL 35 4.077 1.441 1.035 280 1HG1 VAL 35 1HG1 VAL 35 4.674 3.609 0.083 281 2HG1 VAL 35 2HG1 VAL 35 5.639 2.313 -0.626 282 3HG1 VAL 35 3HG1 VAL 35 6.348 3.376 0.592 283 1HG2 VAL 35 1HG2 VAL 35 6.228 0.318 0.719 284 2HG2 VAL 35 2HG2 VAL 35 5.673 0.176 2.389 285 3HG2 VAL 35 3HG2 VAL 35 6.944 1.326 1.976 286 H THR 36 H THR 36 2.205 2.214 3.017 287 HA THR 36 HA THR 36 2.615 0.044 4.908 288 HB THR 36 HB THR 36 2.665 2.079 6.326 289 HG1 THR 36 HG1 THR 36 0.257 1.205 7.185 290 1HG2 THR 36 1HG2 THR 36 0.647 3.443 6.584 291 2HG2 THR 36 2HG2 THR 36 -0.140 2.532 5.297 292 3HG2 THR 36 3HG2 THR 36 1.267 3.533 4.938 293 HN2 GLY 37 H GLY 37 0.328 -0.685 5.692 294 1HA GLY 37 2HA GLY 37 -1.766 -0.151 3.722 295 2HA GLY 37 1HA GLY 37 -1.224 -1.818 3.902 296 HA PRO 38 HA PRO 38 -4.646 -0.772 7.010 297 1HB PRO 38 2HB PRO 38 -5.924 -3.126 5.778 298 2HB PRO 38 1HB PRO 38 -6.612 -1.540 6.145 299 1HG PRO 38 2HG PRO 38 -6.103 -2.303 3.623 300 2HG PRO 38 1HG PRO 38 -5.896 -0.622 4.147 301 1HD PRO 38 2HD PRO 38 -3.833 -2.745 3.715 302 2HD PRO 38 1HD PRO 38 -3.773 -1.016 3.309 303 H LYS 39 H LYS 39 -3.893 -1.483 8.880 304 HA LYS 39 HA LYS 39 -2.306 -3.759 9.223 305 1HB LYS 39 2HB LYS 39 -2.215 -1.888 10.747 306 2HB LYS 39 1HB LYS 39 -3.878 -2.156 11.245 307 1HG LYS 39 2HG LYS 39 -3.217 -4.323 12.204 308 2HG LYS 39 1HG LYS 39 -1.549 -3.998 11.733 309 1HD LYS 39 2HD LYS 39 -1.487 -2.052 13.165 310 2HD LYS 39 1HD LYS 39 -3.184 -2.275 13.592 311 1HE LYS 39 2HE LYS 39 -2.660 -4.394 14.651 312 2HE LYS 39 1HE LYS 39 -0.977 -4.251 14.147 313 1HZ LYS 39 1HZ LYS 39 -0.801 -2.248 15.516 314 2HZ LYS 39 2HZ LYS 39 -1.208 -3.611 16.434 315 3HZ LYS 39 3HZ LYS 39 -2.397 -2.463 16.051 316 H ASP 40 H ASP 40 -5.653 -3.279 10.347 317 HA ASP 40 HA ASP 40 -5.811 -6.028 11.183 318 1HB ASP 40 2HB ASP 40 -7.956 -3.908 11.106 319 2HB ASP 40 1HB ASP 40 -8.069 -5.455 11.934 320 H ILE 41 H ILE 41 -6.421 -4.399 8.277 321 HA ILE 41 HA ILE 41 -8.579 -6.170 7.468 322 HB ILE 41 HB ILE 41 -7.222 -3.927 5.972 323 1HG1 ILE 41 2HG1 ILE 41 -9.956 -4.138 7.261 324 2HG1 ILE 41 1HG1 ILE 41 -8.595 -3.197 7.868 325 1HG2 ILE 41 1HG2 ILE 41 -9.029 -4.157 4.323 326 2HG2 ILE 41 2HG2 ILE 41 -9.607 -5.590 5.171 327 3HG2 ILE 41 3HG2 ILE 41 -8.021 -5.604 4.402 328 1HD1 ILE 41 1HD1 ILE 41 -8.690 -1.774 5.904 329 2HD1 ILE 41 2HD1 ILE 41 -10.241 -1.798 6.741 330 3HD1 ILE 41 3HD1 ILE 41 -10.022 -2.731 5.260 331 H THR 42 H THR 42 -5.380 -5.309 6.105 332 HA THR 42 HA THR 42 -5.434 -7.881 4.682 333 HB THR 42 HB THR 42 -3.591 -5.579 4.072 334 HG1 THR 42 HG1 THR 42 -5.548 -5.651 2.305 335 1HG2 THR 42 1HG2 THR 42 -3.024 -7.758 3.086 336 2HG2 THR 42 2HG2 THR 42 -3.524 -6.603 1.849 337 3HG2 THR 42 3HG2 THR 42 -4.640 -7.857 2.388 338 HN2 GLY 43 H GLY 43 -3.628 -5.955 6.962 339 1HA GLY 43 2HA GLY 43 -1.917 -6.606 8.375 340 2HA GLY 43 1HA GLY 43 -1.934 -8.196 7.619 341 H VAL 44 H VAL 44 -1.380 -4.899 6.408 342 HA VAL 44 HA VAL 44 0.905 -5.888 4.883 343 HB VAL 44 HB VAL 44 -0.402 -3.159 4.805 344 1HG1 VAL 44 1HG1 VAL 44 0.843 -2.866 2.720 345 2HG1 VAL 44 2HG1 VAL 44 1.618 -4.430 2.963 346 3HG1 VAL 44 3HG1 VAL 44 1.924 -3.111 4.091 347 1HG2 VAL 44 1HG2 VAL 44 -1.905 -4.947 4.049 348 2HG2 VAL 44 2HG2 VAL 44 -0.685 -5.475 2.891 349 3HG2 VAL 44 3HG2 VAL 44 -1.429 -3.883 2.725 350 H LYS 45 H LYS 45 2.804 -5.813 5.796 351 HA LYS 45 HA LYS 45 3.443 -4.282 8.094 352 1HB LYS 45 2HB LYS 45 4.527 -6.417 7.617 353 2HB LYS 45 1HB LYS 45 5.207 -5.762 6.135 354 1HG LYS 45 2HG LYS 45 6.508 -4.155 7.475 355 2HG LYS 45 1HG LYS 45 5.874 -4.907 8.943 356 1HD LYS 45 2HD LYS 45 6.880 -7.031 8.311 357 2HD LYS 45 1HD LYS 45 7.464 -6.323 6.804 358 1HE LYS 45 2HE LYS 45 8.850 -4.761 8.083 359 2HE LYS 45 1HE LYS 45 8.268 -5.478 9.584 360 1HZ LYS 45 1HZ LYS 45 9.812 -6.898 7.479 361 2HZ LYS 45 2HZ LYS 45 9.263 -7.580 8.930 362 3HZ LYS 45 3HZ LYS 45 10.433 -6.350 8.959 363 H ARG 46 H ARG 46 4.156 -2.257 8.250 364 HA ARG 46 HA ARG 46 4.533 -0.684 5.862 365 1HB ARG 46 2HB ARG 46 4.837 1.205 7.376 366 2HB ARG 46 1HB ARG 46 3.418 0.280 7.835 367 1HG ARG 46 2HG ARG 46 4.615 -0.735 9.665 368 2HG ARG 46 1HG ARG 46 6.111 0.049 9.160 369 1HD ARG 46 2HD ARG 46 5.078 2.240 9.563 370 2HD ARG 46 1HD ARG 46 3.606 1.434 10.102 371 HE ARG 46 HE ARG 46 5.063 0.423 11.895 372 1HH1 ARG 46 1HH1 ARG 46 5.865 3.490 10.402 373 2HH1 ARG 46 2HH1 ARG 46 6.711 4.103 11.787 374 1HH2 ARG 46 1HH2 ARG 46 6.153 1.222 13.726 375 2HH2 ARG 46 2HH2 ARG 46 6.871 2.804 13.693 376 H ARG 47 H ARG 47 6.443 0.204 5.109 377 HA ARG 47 HA ARG 47 8.887 -0.270 6.605 378 1HB ARG 47 2HB ARG 47 10.046 -1.369 4.764 379 2HB ARG 47 1HB ARG 47 8.663 -2.317 5.286 380 1HG ARG 47 2HG ARG 47 7.379 -1.542 3.376 381 2HG ARG 47 1HG ARG 47 8.730 -0.525 2.866 382 1HD ARG 47 2HD ARG 47 10.120 -2.592 2.689 383 2HD ARG 47 1HD ARG 47 8.668 -3.537 3.018 384 HE ARG 47 HE ARG 47 7.873 -2.095 0.934 385 1HH1 ARG 47 1HH1 ARG 47 10.818 -3.918 1.475 386 2HH1 ARG 47 2HH1 ARG 47 11.080 -4.222 -0.217 387 1HH2 ARG 47 1HH2 ARG 47 8.224 -2.489 -1.287 388 2HH2 ARG 47 2HH2 ARG 47 9.615 -3.396 -1.800 389 H ARG 48 H ARG 48 10.541 1.099 6.100 390 HA ARG 48 HA ARG 48 9.820 3.359 4.377 391 1HB ARG 48 2HB ARG 48 10.310 3.917 6.702 392 2HB ARG 48 1HB ARG 48 11.860 3.102 6.593 393 1HG ARG 48 2HG ARG 48 12.672 4.756 5.041 394 2HG ARG 48 1HG ARG 48 11.089 5.540 5.007 395 1HD ARG 48 2HD ARG 48 12.665 6.715 6.475 396 2HD ARG 48 1HD ARG 48 11.279 6.085 7.362 397 HE ARG 48 HE ARG 48 13.777 4.545 7.321 398 1HH1 ARG 48 1HH1 ARG 48 11.359 6.360 9.084 399 2HH1 ARG 48 2HH1 ARG 48 12.006 5.945 10.644 400 1HH2 ARG 48 1HH2 ARG 48 14.620 3.987 9.396 401 2HH2 ARG 48 2HH2 ARG 48 13.848 4.630 10.818 402 H VAL 49 H VAL 49 10.691 3.372 2.420 403 HA VAL 49 HA VAL 49 13.336 2.131 2.066 404 HB VAL 49 HB VAL 49 12.617 1.418 -0.209 405 1HG1 VAL 49 1HG1 VAL 49 10.991 0.281 2.059 406 2HG1 VAL 49 2HG1 VAL 49 12.645 -0.166 1.647 407 3HG1 VAL 49 3HG1 VAL 49 11.331 -0.521 0.527 408 1HG2 VAL 49 1HG2 VAL 49 9.875 2.193 0.777 409 2HG2 VAL 49 2HG2 VAL 49 10.214 1.286 -0.696 410 3HG2 VAL 49 3HG2 VAL 49 10.766 2.953 -0.540 411 H ASN 50 H ASN 50 14.372 2.805 -0.024 412 HA ASN 50 HA ASN 50 13.961 5.679 -0.461 413 1HB ASN 50 2HB ASN 50 16.242 5.662 -1.425 414 2HB ASN 50 1HB ASN 50 16.224 5.072 0.233 415 1HD2 ASN 50 1HD2 ASN 50 16.704 2.948 0.649 416 2HD2 ASN 50 2HD2 ASN 50 17.381 1.889 -0.534 417 H ILE 51 H ILE 51 12.267 3.682 -1.582 418 HA ILE 51 HA ILE 51 11.375 2.846 -3.489 419 HB ILE 51 HB ILE 51 12.690 5.229 -4.776 420 1HG1 ILE 51 2HG1 ILE 51 9.915 4.965 -3.596 421 2HG1 ILE 51 1HG1 ILE 51 11.252 5.827 -2.842 422 1HG2 ILE 51 1HG2 ILE 51 10.889 5.014 -6.444 423 2HG2 ILE 51 2HG2 ILE 51 10.340 3.543 -5.640 424 3HG2 ILE 51 3HG2 ILE 51 11.930 3.594 -6.401 425 1HD1 ILE 51 1HD1 ILE 51 11.289 7.413 -4.679 426 2HD1 ILE 51 2HD1 ILE 51 9.689 7.339 -3.945 427 3HD1 ILE 51 3HD1 ILE 51 9.991 6.532 -5.485 428 H LEU 52 H LEU 52 12.715 1.024 -3.380 429 HA LEU 52 HA LEU 52 15.135 0.915 -4.953 430 1HB LEU 52 2HB LEU 52 14.963 -0.357 -2.869 431 2HB LEU 52 1HB LEU 52 13.599 -1.251 -3.513 432 HG LEU 52 HG LEU 52 15.100 -2.200 -5.262 433 1HD1 LEU 52 1HD1 LEU 52 16.775 -0.425 -5.287 434 2HD1 LEU 52 2HD1 LEU 52 17.515 -1.994 -4.971 435 3HD1 LEU 52 3HD1 LEU 52 17.265 -0.855 -3.648 436 1HD2 LEU 52 1HD2 LEU 52 16.251 -3.744 -3.760 437 2HD2 LEU 52 2HD2 LEU 52 14.605 -3.429 -3.209 438 3HD2 LEU 52 3HD2 LEU 52 15.969 -2.648 -2.409 439 H HIS 53 H HIS 53 11.994 -0.761 -5.013 440 HA HIS 53 HA HIS 53 11.803 -0.464 -7.860 441 1HB HIS 53 2HB HIS 53 13.259 -2.557 -7.424 442 2HB HIS 53 1HB HIS 53 11.772 -3.305 -6.849 443 HD1 HIS 53 HD1 HIS 53 11.915 -5.003 -8.843 444 HD2 HIS 53 HD2 HIS 53 11.470 -1.020 -9.962 445 HE1 HIS 53 HE1 HIS 53 11.318 -5.044 -11.288 446 HE2 HIS 53 HE2 HIS 53 11.245 -2.619 -11.980 447 H LEU 54 H LEU 54 10.066 0.748 -6.875 448 HA LEU 54 HA LEU 54 7.692 -0.924 -6.463 449 1HB LEU 54 2HB LEU 54 8.533 -0.180 -4.256 450 2HB LEU 54 1HB LEU 54 8.444 1.484 -4.797 451 HG LEU 54 HG LEU 54 5.981 1.237 -5.036 452 1HD1 LEU 54 1HD1 LEU 54 5.884 -1.168 -5.375 453 2HD1 LEU 54 2HD1 LEU 54 4.883 -0.687 -4.004 454 3HD1 LEU 54 3HD1 LEU 54 6.456 -1.439 -3.731 455 1HD2 LEU 54 1HD2 LEU 54 7.087 0.591 -2.303 456 2HD2 LEU 54 2HD2 LEU 54 5.501 1.284 -2.642 457 3HD2 LEU 54 3HD2 LEU 54 6.961 2.200 -3.017 458 H GLU 55 H GLU 55 6.056 -0.269 -7.751 459 HA GLU 55 HA GLU 55 6.226 2.422 -8.899 460 1HB GLU 55 2HB GLU 55 5.430 -0.117 -10.340 461 2HB GLU 55 1HB GLU 55 5.480 1.494 -11.037 462 1HG GLU 55 2HG GLU 55 7.929 1.555 -10.530 463 2HG GLU 55 1HG GLU 55 7.807 -0.135 -10.048 464 HA PRO 56 HA PRO 56 2.100 2.731 -7.293 465 1HB PRO 56 2HB PRO 56 1.817 5.116 -8.962 466 2HB PRO 56 1HB PRO 56 1.851 4.982 -7.202 467 1HG PRO 56 2HG PRO 56 3.874 6.097 -8.608 468 2HG PRO 56 1HG PRO 56 4.138 5.209 -7.096 469 1HD PRO 56 2HD PRO 56 4.539 4.303 -9.921 470 2HD PRO 56 1HD PRO 56 5.551 4.017 -8.488 471 H THR 57 H THR 57 -0.036 2.514 -7.958 472 HA THR 57 HA THR 57 -0.355 1.641 -10.739 473 HB THR 57 HB THR 57 -0.986 0.022 -8.994 474 HG1 THR 57 HG1 THR 57 -2.263 -0.485 -10.614 475 1HG2 THR 57 1HG2 THR 57 -2.956 0.394 -7.593 476 2HG2 THR 57 2HG2 THR 57 -3.091 2.035 -8.220 477 3HG2 THR 57 3HG2 THR 57 -1.694 1.576 -7.249 478 H ASP 58 H ASP 58 -3.094 1.917 -10.976 479 HA ASP 58 HA ASP 58 -3.209 4.749 -11.620 480 1HB ASP 58 2HB ASP 58 -5.412 2.744 -12.092 481 2HB ASP 58 1HB ASP 58 -5.078 4.228 -12.976 482 H LYS 59 H LYS 59 -4.448 2.613 -9.232 483 HA LYS 59 HA LYS 59 -6.827 4.105 -8.671 484 1HB LYS 59 2HB LYS 59 -5.496 1.816 -7.226 485 2HB LYS 59 1HB LYS 59 -7.041 2.511 -6.752 486 1HG LYS 59 2HG LYS 59 -7.996 1.893 -8.906 487 2HG LYS 59 1HG LYS 59 -6.443 1.225 -9.410 488 1HD LYS 59 2HD LYS 59 -6.558 -0.430 -7.625 489 2HD LYS 59 1HD LYS 59 -8.078 0.266 -7.062 490 1HE LYS 59 2HE LYS 59 -7.677 -0.882 -9.820 491 2HE LYS 59 1HE LYS 59 -8.309 -1.803 -8.457 492 1HZ LYS 59 1HZ LYS 59 -10.083 -0.931 -9.843 493 2HZ LYS 59 2HZ LYS 59 -9.541 0.655 -9.590 494 3HZ LYS 59 3HZ LYS 59 -10.147 -0.252 -8.293 495 H LYS 60 H LYS 60 -7.343 5.208 -6.816 496 HA LYS 60 HA LYS 60 -5.162 6.120 -5.087 497 1HB LYS 60 2HB LYS 60 -5.281 7.755 -6.900 498 2HB LYS 60 1HB LYS 60 -7.014 7.919 -6.667 499 1HG LYS 60 2HG LYS 60 -6.179 8.558 -4.203 500 2HG LYS 60 1HG LYS 60 -4.775 9.076 -5.139 501 1HD LYS 60 2HD LYS 60 -6.329 10.921 -4.902 502 2HD LYS 60 1HD LYS 60 -6.267 10.405 -6.590 503 1HE LYS 60 2HE LYS 60 -8.319 9.077 -6.224 504 2HE LYS 60 1HE LYS 60 -8.390 9.678 -4.569 505 1HZ LYS 60 1HZ LYS 60 -8.598 11.315 -7.036 506 2HZ LYS 60 2HZ LYS 60 -8.604 11.933 -5.456 507 3HZ LYS 60 3HZ LYS 60 -9.867 10.926 -5.982 508 H ILE 61 H ILE 61 -5.832 6.521 -2.997 509 HA ILE 61 HA ILE 61 -8.697 6.171 -2.441 510 HB ILE 61 HB ILE 61 -8.015 5.892 -0.070 511 1HG1 ILE 61 2HG1 ILE 61 -5.204 5.948 -1.199 512 2HG1 ILE 61 1HG1 ILE 61 -5.912 7.169 -0.144 513 1HG2 ILE 61 1HG2 ILE 61 -8.376 3.948 -1.459 514 2HG2 ILE 61 2HG2 ILE 61 -7.029 3.651 -0.356 515 3HG2 ILE 61 3HG2 ILE 61 -6.716 4.031 -2.052 516 1HD1 ILE 61 1HD1 ILE 61 -6.127 5.488 1.627 517 2HD1 ILE 61 2HD1 ILE 61 -4.457 5.708 1.109 518 3HD1 ILE 61 3HD1 ILE 61 -5.368 4.296 0.570 519 H ASP 62 H ASP 62 -9.628 7.566 -0.701 520 HA ASP 62 HA ASP 62 -8.842 10.324 -1.285 521 1HB ASP 62 2HB ASP 62 -11.218 9.413 -1.659 522 2HB ASP 62 1HB ASP 62 -11.377 9.460 0.092 523 H ILE 63 H ILE 63 -7.134 10.558 0.162 524 HA ILE 63 HA ILE 63 -7.968 10.996 2.932 525 HB ILE 63 HB ILE 63 -5.867 10.047 3.807 526 1HG1 ILE 63 2HG1 ILE 63 -5.502 8.849 1.055 527 2HG1 ILE 63 1HG1 ILE 63 -4.591 10.228 1.664 528 1HG2 ILE 63 1HG2 ILE 63 -7.548 8.064 2.282 529 2HG2 ILE 63 2HG2 ILE 63 -7.891 8.707 3.889 530 3HG2 ILE 63 3HG2 ILE 63 -6.477 7.684 3.632 531 1HD1 ILE 63 1HD1 ILE 63 -3.334 8.146 1.839 532 2HD1 ILE 63 2HD1 ILE 63 -4.596 7.468 2.864 533 3HD1 ILE 63 3HD1 ILE 63 -3.652 8.845 3.427 534 H GLN 64 H GLN 64 -6.105 12.173 4.126 535 HA GLN 64 HA GLN 64 -4.967 14.163 2.295 536 1HB GLN 64 2HB GLN 64 -5.523 14.399 5.258 537 2HB GLN 64 1HB GLN 64 -4.891 15.670 4.225 538 1HG GLN 64 2HG GLN 64 -7.023 15.471 2.887 539 2HG GLN 64 1HG GLN 64 -7.631 14.452 4.191 540 1HE2 GLN 64 1HE2 GLN 64 -9.247 15.881 4.775 541 2HE2 GLN 64 2HE2 GLN 64 -8.911 17.387 5.567 542 H LYS 65 H LYS 65 -2.919 15.229 3.404 543 HA LYS 65 HA LYS 65 -1.033 13.051 3.634 544 1HB LYS 65 2HB LYS 65 -0.556 14.998 2.196 545 2HB LYS 65 1HB LYS 65 -0.554 16.034 3.615 546 1HG LYS 65 2HG LYS 65 1.459 15.220 4.378 547 2HG LYS 65 1HG LYS 65 1.297 13.697 3.502 548 1HD LYS 65 2HD LYS 65 3.013 15.153 2.515 549 2HD LYS 65 1HD LYS 65 1.688 14.836 1.394 550 1HE LYS 65 2HE LYS 65 0.693 17.026 2.096 551 2HE LYS 65 1HE LYS 65 2.178 17.342 2.996 552 1HZ LYS 65 1HZ LYS 65 2.008 16.844 0.069 553 2HZ LYS 65 2HZ LYS 65 3.428 17.180 0.939 554 3HZ LYS 65 3HZ LYS 65 2.221 18.361 0.800 555 HN2 GLY 66 H GLY 66 -0.524 12.166 5.486 556 1HA GLY 66 2HA GLY 66 0.436 12.380 7.704 557 2HA GLY 66 1HA GLY 66 -0.533 13.834 7.920 558 H ALA 67 H ALA 67 -1.189 10.497 6.883 559 HA ALA 67 HA ALA 67 -3.603 10.573 8.546 560 1HB ALA 67 1HB ALA 67 -4.029 10.223 6.187 561 2HB ALA 67 2HB ALA 67 -4.436 8.771 7.099 562 3HB ALA 67 3HB ALA 67 -2.938 8.838 6.170 563 H SER 68 H SER 68 -4.270 8.170 9.095 564 HA SER 68 HA SER 68 -1.944 6.739 10.172 565 1HB SER 68 2HB SER 68 -3.287 6.254 12.200 566 2HB SER 68 1HB SER 68 -3.024 7.986 11.991 567 HG SER 68 HG SER 68 -5.136 8.035 12.221 568 H ASP 69 H ASP 69 -2.667 4.480 10.901 569 HA ASP 69 HA ASP 69 -3.863 3.032 8.811 570 1HB ASP 69 2HB ASP 69 -2.448 1.851 10.327 571 2HB ASP 69 1HB ASP 69 -3.383 2.377 11.723 572 H GLU 70 H GLU 70 -5.173 4.352 11.801 573 HA GLU 70 HA GLU 70 -7.780 3.360 11.697 574 1HB GLU 70 2HB GLU 70 -6.872 4.569 13.623 575 2HB GLU 70 1HB GLU 70 -6.767 6.037 12.675 576 1HG GLU 70 2HG GLU 70 -9.242 5.979 12.427 577 2HG GLU 70 1HG GLU 70 -9.270 4.616 13.544 578 H GLU 71 H GLU 71 -6.485 6.416 10.520 579 HA GLU 71 HA GLU 71 -8.742 7.452 9.289 580 1HB GLU 71 2HB GLU 71 -6.752 8.783 9.612 581 2HB GLU 71 1HB GLU 71 -5.831 7.730 8.551 582 1HG GLU 71 2HG GLU 71 -6.344 9.775 7.416 583 2HG GLU 71 1HG GLU 71 -7.213 8.442 6.660 584 H VAL 72 H VAL 72 -6.142 5.553 7.764 585 HA VAL 72 HA VAL 72 -7.273 5.495 5.202 586 HB VAL 72 HB VAL 72 -5.399 3.497 6.490 587 1HG1 VAL 72 1HG1 VAL 72 -6.072 3.899 3.576 588 2HG1 VAL 72 2HG1 VAL 72 -6.505 2.505 4.566 589 3HG1 VAL 72 3HG1 VAL 72 -4.813 2.836 4.204 590 1HG2 VAL 72 1HG2 VAL 72 -4.860 5.869 4.703 591 2HG2 VAL 72 2HG2 VAL 72 -3.654 4.715 5.271 592 3HG2 VAL 72 3HG2 VAL 72 -4.493 5.751 6.425 593 H LYS 73 H LYS 73 -7.601 3.226 7.923 594 HA LYS 73 HA LYS 73 -9.012 1.237 6.536 595 1HB LYS 73 2HB LYS 73 -8.425 1.890 9.325 596 2HB LYS 73 1HB LYS 73 -9.954 1.050 9.109 597 1HG LYS 73 2HG LYS 73 -8.968 -0.872 8.415 598 2HG LYS 73 1HG LYS 73 -7.600 -0.040 7.679 599 1HD LYS 73 2HD LYS 73 -7.020 -1.383 9.695 600 2HD LYS 73 1HD LYS 73 -6.586 0.321 9.812 601 1HE LYS 73 2HE LYS 73 -8.674 0.711 11.091 602 2HE LYS 73 1HE LYS 73 -8.973 -1.028 11.060 603 1HZ LYS 73 1HZ LYS 73 -6.484 0.160 12.157 604 2HZ LYS 73 2HZ LYS 73 -7.050 -1.430 12.351 605 3HZ LYS 73 3HZ LYS 73 -7.858 -0.147 13.110 606 H LYS 74 H LYS 74 -10.217 4.048 8.357 607 HA LYS 74 HA LYS 74 -12.954 3.336 8.004 608 1HB LYS 74 2HB LYS 74 -11.500 5.708 9.041 609 2HB LYS 74 1HB LYS 74 -13.152 5.959 8.499 610 1HG LYS 74 2HG LYS 74 -13.158 5.528 10.856 611 2HG LYS 74 1HG LYS 74 -13.892 4.161 10.020 612 1HD LYS 74 2HD LYS 74 -11.697 2.984 10.167 613 2HD LYS 74 1HD LYS 74 -11.107 4.315 11.166 614 1HE LYS 74 2HE LYS 74 -13.429 2.493 11.794 615 2HE LYS 74 1HE LYS 74 -11.841 2.456 12.553 616 1HZ LYS 74 1HZ LYS 74 -13.813 4.675 12.711 617 2HZ LYS 74 2HZ LYS 74 -12.262 4.707 13.397 618 3HZ LYS 74 3HZ LYS 74 -13.413 3.596 13.955 619 H LYS 75 H LYS 75 -10.786 5.566 6.302 620 HA LYS 75 HA LYS 75 -12.816 6.552 4.564 621 1HB LYS 75 2HB LYS 75 -9.804 6.624 4.310 622 2HB LYS 75 1HB LYS 75 -10.911 7.516 3.279 623 1HG LYS 75 2HG LYS 75 -10.563 7.855 6.253 624 2HG LYS 75 1HG LYS 75 -10.029 8.967 4.993 625 1HD LYS 75 2HD LYS 75 -12.244 9.548 4.426 626 2HD LYS 75 1HD LYS 75 -12.914 8.188 5.329 627 1HE LYS 75 2HE LYS 75 -13.295 10.224 6.556 628 2HE LYS 75 1HE LYS 75 -12.122 9.234 7.421 629 1HZ LYS 75 1HZ LYS 75 -11.469 11.553 5.688 630 2HZ LYS 75 2HZ LYS 75 -10.345 10.618 6.551 631 3HZ LYS 75 3HZ LYS 75 -11.481 11.565 7.380 632 H LEU 76 H LEU 76 -10.557 3.886 4.397 633 HA LEU 76 HA LEU 76 -11.039 3.199 1.674 634 1HB LEU 76 2HB LEU 76 -9.093 2.436 3.067 635 2HB LEU 76 1HB LEU 76 -10.195 1.388 3.937 636 HG LEU 76 HG LEU 76 -10.699 0.241 1.764 637 1HD1 LEU 76 1HD1 LEU 76 -9.087 0.548 -0.062 638 2HD1 LEU 76 2HD1 LEU 76 -8.368 1.900 0.815 639 3HD1 LEU 76 3HD1 LEU 76 -10.033 2.006 0.243 640 1HD2 LEU 76 1HD2 LEU 76 -9.152 -0.699 3.399 641 2HD2 LEU 76 2HD2 LEU 76 -7.829 0.225 2.685 642 3HD2 LEU 76 3HD2 LEU 76 -8.623 -1.043 1.750 643 H GLU 77 H GLU 77 -12.420 2.242 4.765 644 HA GLU 77 HA GLU 77 -14.169 0.236 3.935 645 1HB GLU 77 2HB GLU 77 -13.630 0.806 6.292 646 2HB GLU 77 1HB GLU 77 -14.577 2.276 6.132 647 1HG GLU 77 2HG GLU 77 -16.576 0.900 5.682 648 2HG GLU 77 1HG GLU 77 -15.607 -0.547 5.959 649 H GLU 78 H GLU 78 -14.756 3.718 4.341 650 HA GLU 78 HA GLU 78 -17.412 3.777 3.489 651 1HB GLU 78 2HB GLU 78 -15.275 5.895 3.255 652 2HB GLU 78 1HB GLU 78 -16.983 6.181 2.955 653 1HG GLU 78 2HG GLU 78 -17.490 5.561 5.262 654 2HG GLU 78 1HG GLU 78 -15.773 5.285 5.558 655 H SER 79 H SER 79 -14.431 3.990 1.611 656 HA SER 79 HA SER 79 -15.786 4.563 -0.838 657 1HB SER 79 2HB SER 79 -12.933 3.684 -0.354 658 2HB SER 79 1HB SER 79 -13.568 4.411 -1.828 659 HG SER 79 HG SER 79 -13.022 5.581 0.651 660 H ASN 80 H ASN 80 -15.547 1.786 0.930 661 HA ASN 80 HA ASN 80 -16.087 -0.383 0.537 662 1HB ASN 80 2HB ASN 80 -17.904 0.727 -0.800 663 2HB ASN 80 1HB ASN 80 -16.900 0.531 -2.231 664 1HD2 ASN 80 1HD2 ASN 80 -17.245 -1.789 0.409 665 2HD2 ASN 80 2HD2 ASN 80 -18.012 -3.014 -0.544 666 H LEU 81 H LEU 81 -13.438 0.809 -0.326 667 HA LEU 81 HA LEU 81 -12.657 -1.025 -2.469 668 1HB LEU 81 2HB LEU 81 -12.096 1.433 -2.539 669 2HB LEU 81 1HB LEU 81 -11.040 1.166 -1.169 670 HG LEU 81 HG LEU 81 -9.690 -0.393 -2.534 671 1HD1 LEU 81 1HD1 LEU 81 -10.017 -0.434 -4.958 672 2HD1 LEU 81 2HD1 LEU 81 -11.498 0.508 -4.771 673 3HD1 LEU 81 3HD1 LEU 81 -11.395 -1.118 -4.096 674 1HD2 LEU 81 1HD2 LEU 81 -10.046 2.355 -3.732 675 2HD2 LEU 81 2HD2 LEU 81 -8.631 1.314 -3.916 676 3HD2 LEU 81 3HD2 LEU 81 -9.052 1.956 -2.329 677 H THR 82 H THR 82 -13.024 -1.305 0.671 678 HA THR 82 HA THR 82 -10.539 -2.040 1.736 679 HB THR 82 HB THR 82 -12.392 -1.532 3.183 680 HG1 THR 82 HG1 THR 82 -12.180 -4.213 3.834 681 1HG2 THR 82 1HG2 THR 82 -14.321 -2.998 3.448 682 2HG2 THR 82 2HG2 THR 82 -13.727 -4.030 2.150 683 3HG2 THR 82 3HG2 THR 82 -14.225 -2.375 1.803 684 H GLU 83 H GLU 83 -13.034 -3.963 0.138 685 HA GLU 83 HA GLU 83 -11.922 -6.491 0.712 686 1HB GLU 83 2HB GLU 83 -14.272 -5.692 -0.310 687 2HB GLU 83 1HB GLU 83 -13.466 -6.148 -1.802 688 1HG GLU 83 2HG GLU 83 -14.688 -8.031 -1.072 689 2HG GLU 83 1HG GLU 83 -12.987 -8.373 -0.754 690 H TYR 84 H TYR 84 -11.584 -4.317 -2.060 691 HA TYR 84 HA TYR 84 -9.965 -5.980 -3.642 692 1HB TYR 84 2HB TYR 84 -10.968 -4.050 -4.647 693 2HB TYR 84 1HB TYR 84 -10.199 -2.970 -3.489 694 HD1 TYR 84 HD1 TYR 84 -9.556 -5.207 -6.371 695 HD2 TYR 84 HD2 TYR 84 -8.023 -2.123 -3.873 696 HE1 TYR 84 HE1 TYR 84 -7.665 -4.895 -7.920 697 HE2 TYR 84 HE2 TYR 84 -6.135 -1.804 -5.407 698 HH TYR 84 HH TYR 84 -4.904 -3.100 -7.109 699 H MET 85 H MET 85 -9.204 -3.766 -1.019 700 HA MET 85 HA MET 85 -6.366 -3.935 -1.440 701 1HB MET 85 2HB MET 85 -7.635 -1.987 -0.388 702 2HB MET 85 1HB MET 85 -7.745 -2.973 1.064 703 1HG MET 85 2HG MET 85 -5.902 -1.418 1.213 704 2HG MET 85 1HG MET 85 -5.310 -3.079 1.174 705 1HE MET 85 1HE MET 85 -3.629 -0.326 0.585 706 2HE MET 85 2HE MET 85 -2.582 -0.880 -0.720 707 3HE MET 85 3HE MET 85 -2.883 -1.919 0.673 708 H LYS 86 H LYS 86 -8.764 -5.647 0.365 709 HA LYS 86 HA LYS 86 -6.943 -6.989 2.134 710 1HB LYS 86 2HB LYS 86 -9.366 -6.533 2.621 711 2HB LYS 86 1HB LYS 86 -9.775 -7.745 1.417 712 1HG LYS 86 2HG LYS 86 -8.464 -9.400 2.769 713 2HG LYS 86 1HG LYS 86 -8.332 -8.164 4.023 714 1HD LYS 86 2HD LYS 86 -10.837 -8.019 3.999 715 2HD LYS 86 1HD LYS 86 -10.841 -9.433 2.944 716 1HE LYS 86 2HE LYS 86 -11.194 -10.185 5.185 717 2HE LYS 86 1HE LYS 86 -9.562 -10.656 4.707 718 1HZ LYS 86 1HZ LYS 86 -8.686 -8.773 5.927 719 2HZ LYS 86 2HZ LYS 86 -9.637 -9.731 6.953 720 3HZ LYS 86 3HZ LYS 86 -10.251 -8.270 6.343 721 H GLU 87 H GLU 87 -8.240 -7.498 -1.017 722 HA GLU 87 HA GLU 87 -8.055 -10.179 -1.480 723 1HB GLU 87 2HB GLU 87 -8.848 -8.605 -3.141 724 2HB GLU 87 1HB GLU 87 -7.243 -7.904 -3.282 725 1HG GLU 87 2HG GLU 87 -6.425 -10.073 -4.148 726 2HG GLU 87 1HG GLU 87 -8.087 -10.665 -4.114 727 H LYS 88 H LYS 88 -6.516 -11.624 -1.294 728 HA LYS 88 HA LYS 88 -3.711 -10.736 -1.299 729 1HB LYS 88 2HB LYS 88 -3.310 -12.782 0.130 730 2HB LYS 88 1HB LYS 88 -4.248 -11.505 0.885 731 1HG LYS 88 2HG LYS 88 -6.316 -12.770 0.321 732 2HG LYS 88 1HG LYS 88 -5.296 -14.082 -0.271 733 1HD LYS 88 2HD LYS 88 -4.314 -14.346 1.935 734 2HD LYS 88 1HD LYS 88 -5.239 -12.972 2.536 735 1HE LYS 88 2HE LYS 88 -6.332 -14.981 3.247 736 2HE LYS 88 1HE LYS 88 -7.324 -14.218 2.007 737 1HZ LYS 88 1HZ LYS 88 -6.400 -15.780 0.384 738 2HZ LYS 88 2HZ LYS 88 -7.201 -16.582 1.643 739 3HZ LYS 88 3HZ LYS 88 -5.505 -16.538 1.615 740 H ILE 89 H ILE 89 -2.332 -11.633 -2.712 741 HA ILE 89 HA ILE 89 -3.208 -14.014 -4.214 742 HB ILE 89 HB ILE 89 -1.693 -11.727 -5.483 743 1HG1 ILE 89 2HG1 ILE 89 -4.023 -11.495 -6.732 744 2HG1 ILE 89 1HG1 ILE 89 -4.640 -12.134 -5.214 745 1HG2 ILE 89 1HG2 ILE 89 -2.346 -12.804 -7.580 746 2HG2 ILE 89 2HG2 ILE 89 -3.160 -14.075 -6.668 747 3HG2 ILE 89 3HG2 ILE 89 -1.410 -13.886 -6.548 748 1HD1 ILE 89 1HD1 ILE 89 -2.978 -9.647 -5.536 749 2HD1 ILE 89 2HD1 ILE 89 -3.591 -10.289 -4.012 750 3HD1 ILE 89 3HD1 ILE 89 -4.717 -9.712 -5.240 751 H LYS 90 H LYS 90 -1.554 -15.460 -4.788 752 HA LYS 90 HA LYS 90 0.409 -16.570 -4.587 753 1HB LYS 90 2HB LYS 90 1.256 -13.767 -5.046 754 2HB LYS 90 1HB LYS 90 2.487 -14.856 -4.427 755 1HG LYS 90 2HG LYS 90 2.598 -14.745 -6.834 756 2HG LYS 90 1HG LYS 90 2.105 -16.358 -6.325 757 1HD LYS 90 2HD LYS 90 -0.173 -15.916 -6.909 758 2HD LYS 90 1HD LYS 90 0.180 -14.213 -7.205 759 1HE LYS 90 2HE LYS 90 -0.001 -15.384 -9.308 760 2HE LYS 90 1HE LYS 90 1.664 -14.870 -9.057 761 1HZ LYS 90 1HZ LYS 90 0.581 -17.607 -8.665 762 2HZ LYS 90 2HZ LYS 90 2.168 -17.142 -8.299 763 3HZ LYS 90 3HZ LYS 90 1.623 -17.099 -9.901 764 H ILE 91 H ILE 91 -1.000 -16.021 -2.232 765 HA ILE 91 HA ILE 91 1.015 -15.466 -0.197 766 HB ILE 91 HB ILE 91 -1.263 -14.470 -0.024 767 1HG1 ILE 91 2HG1 ILE 91 -0.576 -16.365 2.236 768 2HG1 ILE 91 1HG1 ILE 91 0.144 -14.778 1.982 769 1HG2 ILE 91 1HG2 ILE 91 -3.155 -15.865 0.653 770 2HG2 ILE 91 2HG2 ILE 91 -2.161 -17.307 0.448 771 3HG2 ILE 91 3HG2 ILE 91 -2.558 -16.303 -0.948 772 1HD1 ILE 91 1HD1 ILE 91 -2.754 -15.327 2.573 773 2HD1 ILE 91 2HD1 ILE 91 -2.033 -13.737 2.322 774 3HD1 ILE 91 3HD1 ILE 91 -1.553 -14.714 3.710 775 H ARG 92 H ARG 92 1.342 -17.740 -1.813 776 HA ARG 92 HA ARG 92 0.400 -20.079 -0.409 777 1HB ARG 92 2HB ARG 92 0.630 -19.976 -2.890 778 2HB ARG 92 1HB ARG 92 2.373 -19.873 -2.690 779 1HG ARG 92 2HG ARG 92 2.321 -22.067 -1.543 780 2HG ARG 92 1HG ARG 92 0.596 -22.169 -1.903 781 1HD ARG 92 2HD ARG 92 1.156 -21.943 -4.318 782 2HD ARG 92 1HD ARG 92 2.864 -22.033 -3.885 783 HE ARG 92 HE ARG 92 0.970 -24.205 -3.246 784 1HH1 ARG 92 1HH1 ARG 92 4.014 -23.072 -4.568 785 2HH1 ARG 92 2HH1 ARG 92 4.598 -24.661 -4.944 786 1HH2 ARG 92 1HH2 ARG 92 1.710 -26.300 -3.756 787 2HH2 ARG 92 2HH2 ARG 92 3.278 -26.505 -4.481 788 H MET 93 H MET 93 1.534 -21.331 0.977 789 HA MET 93 HA MET 93 4.009 -20.313 2.036 790 1HB MET 93 2HB MET 93 2.459 -22.825 2.712 791 2HB MET 93 1HB MET 93 3.858 -22.236 3.599 792 1HG MET 93 2HG MET 93 2.604 -20.161 4.101 793 2HG MET 93 1HG MET 93 1.189 -20.877 3.323 794 1HE MET 93 1HE MET 93 -0.287 -20.537 5.492 795 2HE MET 93 2HE MET 93 1.091 -19.756 6.266 796 3HE MET 93 3HE MET 93 0.219 -21.041 7.104 797 HA PRO 94 HA PRO 94 6.890 -22.540 -0.440 798 1HB PRO 94 2HB PRO 94 8.397 -22.988 2.082 799 2HB PRO 94 1HB PRO 94 8.926 -22.229 0.574 800 1HG PRO 94 2HG PRO 94 8.413 -20.751 2.725 801 2HG PRO 94 1HG PRO 94 7.950 -20.189 1.107 802 1HD PRO 94 2HD PRO 94 6.247 -21.393 3.255 803 2HD PRO 94 1HD PRO 94 5.885 -20.049 2.152 804 H THR 95 H THR 95 6.004 -23.947 2.664 805 HA THR 95 HA THR 95 5.989 -26.591 1.398 806 HB THR 95 HB THR 95 7.976 -26.506 2.800 807 HG1 THR 95 HG1 THR 95 6.534 -28.429 2.756 808 1HG2 THR 95 1HG2 THR 95 6.101 -25.802 5.061 809 2HG2 THR 95 2HG2 THR 95 7.338 -24.760 4.364 810 3HG2 THR 95 3HG2 THR 95 7.807 -26.212 5.243 811 H LEU 96 H LEU 96 4.185 -27.743 1.720 812 HA LEU 96 HA LEU 96 2.509 -27.440 3.990 813 1HB LEU 96 2HB LEU 96 0.479 -26.762 2.571 814 2HB LEU 96 1HB LEU 96 1.601 -25.513 3.069 815 HG LEU 96 HG LEU 96 2.663 -25.850 0.721 816 1HD1 LEU 96 1HD1 LEU 96 1.420 -27.882 0.145 817 2HD1 LEU 96 2HD1 LEU 96 1.095 -26.575 -0.995 818 3HD1 LEU 96 3HD1 LEU 96 -0.092 -26.979 0.246 819 1HD2 LEU 96 1HD2 LEU 96 1.094 -24.233 -0.230 820 2HD2 LEU 96 2HD2 LEU 96 1.502 -23.834 1.440 821 3HD2 LEU 96 3HD2 LEU 96 -0.052 -24.585 1.065 Start of MODEL 2 1 1H MET 1 1H MET 1 -3.751 12.550 -7.002 2 2H MET 1 2H MET 1 -2.353 11.652 -6.677 3 3H MET 1 3H MET 1 -3.397 11.169 -7.926 4 HA MET 1 HA MET 1 -2.905 13.246 -9.110 5 1HB MET 1 2HB MET 1 -0.818 13.523 -6.933 6 2HB MET 1 1HB MET 1 -0.929 14.532 -8.365 7 1HG MET 1 2HG MET 1 -2.966 14.349 -6.159 8 2HG MET 1 1HG MET 1 -1.830 15.669 -6.432 9 1HE MET 1 1HE MET 1 -4.916 16.166 -6.064 10 2HE MET 1 2HE MET 1 -5.246 17.315 -7.363 11 3HE MET 1 3HE MET 1 -3.771 17.461 -6.408 12 HA PRO 2 HA PRO 2 0.050 10.741 -11.310 13 1HB PRO 2 2HB PRO 2 1.442 13.197 -12.180 14 2HB PRO 2 1HB PRO 2 0.651 11.953 -13.150 15 1HG PRO 2 2HG PRO 2 -0.428 14.383 -12.846 16 2HG PRO 2 1HG PRO 2 -1.429 12.922 -12.942 17 1HD PRO 2 2HD PRO 2 -0.649 14.528 -10.539 18 2HD PRO 2 1HD PRO 2 -2.202 13.762 -10.929 19 H ALA 3 H ALA 3 2.190 10.020 -11.215 20 HA ALA 3 HA ALA 3 4.254 9.648 -10.410 21 1HB ALA 3 1HB ALA 3 4.123 12.469 -9.353 22 2HB ALA 3 2HB ALA 3 4.766 11.978 -10.919 23 3HB ALA 3 3HB ALA 3 5.567 11.460 -9.436 24 H ILE 4 H ILE 4 5.414 10.403 -8.026 25 HA ILE 4 HA ILE 4 3.916 8.707 -6.197 26 HB ILE 4 HB ILE 4 6.702 9.879 -5.997 27 1HG1 ILE 4 2HG1 ILE 4 6.472 8.200 -7.767 28 2HG1 ILE 4 1HG1 ILE 4 7.450 7.578 -6.442 29 1HG2 ILE 4 1HG2 ILE 4 5.786 9.530 -3.780 30 2HG2 ILE 4 2HG2 ILE 4 7.034 8.331 -4.122 31 3HG2 ILE 4 3HG2 ILE 4 5.332 7.880 -4.208 32 1HD1 ILE 4 1HD1 ILE 4 5.931 5.885 -7.278 33 2HD1 ILE 4 2HD1 ILE 4 4.550 6.940 -6.965 34 3HD1 ILE 4 3HD1 ILE 4 5.515 6.325 -5.622 35 H GLU 5 H GLU 5 2.452 9.657 -4.938 36 HA GLU 5 HA GLU 5 3.299 11.948 -3.361 37 1HB GLU 5 2HB GLU 5 0.806 12.771 -3.693 38 2HB GLU 5 1HB GLU 5 2.088 13.233 -4.800 39 1HG GLU 5 2HG GLU 5 0.432 12.637 -6.255 40 2HG GLU 5 1HG GLU 5 1.331 11.130 -6.127 41 H VAL 6 H VAL 6 1.403 12.417 -1.683 42 HA VAL 6 HA VAL 6 1.491 10.116 -0.014 43 HB VAL 6 HB VAL 6 -0.080 12.660 0.424 44 1HG1 VAL 6 1HG1 VAL 6 -0.767 10.809 1.868 45 2HG1 VAL 6 2HG1 VAL 6 0.064 12.066 2.787 46 3HG1 VAL 6 3HG1 VAL 6 0.910 10.578 2.369 47 1HG2 VAL 6 1HG2 VAL 6 2.280 13.140 0.033 48 2HG2 VAL 6 2HG2 VAL 6 2.730 11.958 1.261 49 3HG2 VAL 6 3HG2 VAL 6 1.851 13.415 1.722 50 HN2 GLY 7 H GLY 7 0.081 8.528 0.236 51 1HA GLY 7 2HA GLY 7 -2.070 7.597 0.486 52 2HA GLY 7 1HA GLY 7 -2.745 8.983 -0.356 53 H ARG 8 H ARG 8 -0.080 7.865 -2.029 54 HA ARG 8 HA ARG 8 -1.745 6.866 -4.139 55 1HB ARG 8 2HB ARG 8 0.401 8.160 -4.475 56 2HB ARG 8 1HB ARG 8 1.266 6.710 -3.979 57 1HG ARG 8 2HG ARG 8 1.249 6.740 -6.345 58 2HG ARG 8 1HG ARG 8 0.102 5.497 -5.840 59 1HD ARG 8 2HD ARG 8 -1.602 7.508 -5.978 60 2HD ARG 8 1HD ARG 8 -0.395 8.153 -7.090 61 HE ARG 8 HE ARG 8 -1.548 5.474 -7.490 62 1HH1 ARG 8 1HH1 ARG 8 -0.809 8.693 -8.677 63 2HH1 ARG 8 2HH1 ARG 8 -1.444 8.380 -10.265 64 1HH2 ARG 8 1HH2 ARG 8 -2.422 5.093 -9.580 65 2HH2 ARG 8 2HH2 ARG 8 -2.353 6.357 -10.775 66 H ILE 9 H ILE 9 -2.253 4.828 -4.607 67 HA ILE 9 HA ILE 9 -1.245 2.663 -2.983 68 HB ILE 9 HB ILE 9 -3.125 2.589 -5.353 69 1HG1 ILE 9 2HG1 ILE 9 -4.055 3.894 -3.504 70 2HG1 ILE 9 1HG1 ILE 9 -4.913 2.367 -3.676 71 1HG2 ILE 9 1HG2 ILE 9 -3.749 0.365 -4.514 72 2HG2 ILE 9 2HG2 ILE 9 -2.492 0.489 -3.282 73 3HG2 ILE 9 3HG2 ILE 9 -2.052 0.445 -4.991 74 1HD1 ILE 9 1HD1 ILE 9 -3.666 1.454 -1.793 75 2HD1 ILE 9 2HD1 ILE 9 -4.534 2.922 -1.342 76 3HD1 ILE 9 3HD1 ILE 9 -2.795 2.979 -1.628 77 H CYS 10 H CYS 10 0.658 1.784 -3.446 78 HA CYS 10 HA CYS 10 1.435 1.586 -6.275 79 1HB CYS 10 2HB CYS 10 3.811 1.494 -5.367 80 2HB CYS 10 1HB CYS 10 2.993 3.047 -5.269 81 HG CYS 10 HG CYS 10 2.265 1.736 -2.470 82 H VAL 11 H VAL 11 2.149 -0.333 -7.044 83 HA VAL 11 HA VAL 11 1.673 -2.632 -5.291 84 HB VAL 11 HB VAL 11 0.418 -2.533 -7.414 85 1HG1 VAL 11 1HG1 VAL 11 1.554 -2.904 -9.544 86 2HG1 VAL 11 2HG1 VAL 11 3.116 -2.802 -8.728 87 3HG1 VAL 11 3HG1 VAL 11 2.061 -1.390 -8.795 88 1HG2 VAL 11 1HG2 VAL 11 0.857 -4.697 -6.404 89 2HG2 VAL 11 2HG2 VAL 11 2.396 -4.802 -7.258 90 3HG2 VAL 11 3HG2 VAL 11 0.882 -4.822 -8.163 91 H LYS 12 H LYS 12 3.153 -4.261 -5.056 92 HA LYS 12 HA LYS 12 5.918 -3.546 -5.326 93 1HB LYS 12 2HB LYS 12 6.242 -5.942 -4.464 94 2HB LYS 12 1HB LYS 12 5.446 -4.799 -3.387 95 1HG LYS 12 2HG LYS 12 3.433 -5.849 -3.532 96 2HG LYS 12 1HG LYS 12 3.723 -6.414 -5.177 97 1HD LYS 12 2HD LYS 12 3.666 -8.273 -3.614 98 2HD LYS 12 1HD LYS 12 5.267 -8.102 -4.328 99 1HE LYS 12 2HE LYS 12 6.181 -7.255 -2.352 100 2HE LYS 12 1HE LYS 12 4.596 -6.875 -1.678 101 1HZ LYS 12 1HZ LYS 12 4.146 -9.155 -1.338 102 2HZ LYS 12 2HZ LYS 12 5.718 -8.913 -0.756 103 3HZ LYS 12 3HZ LYS 12 5.477 -9.650 -2.262 104 H VAL 13 H VAL 13 6.125 -3.347 -7.633 105 HA VAL 13 HA VAL 13 5.495 -5.386 -9.454 106 HB VAL 13 HB VAL 13 7.747 -3.376 -9.673 107 1HG1 VAL 13 1HG1 VAL 13 7.968 -5.223 -11.255 108 2HG1 VAL 13 2HG1 VAL 13 7.558 -3.721 -12.079 109 3HG1 VAL 13 3HG1 VAL 13 6.320 -4.946 -11.816 110 1HG2 VAL 13 1HG2 VAL 13 5.636 -2.260 -9.303 111 2HG2 VAL 13 2HG2 VAL 13 4.875 -3.217 -10.574 112 3HG2 VAL 13 3HG2 VAL 13 6.134 -2.051 -10.983 113 H LYS 14 H LYS 14 8.632 -4.560 -8.023 114 HA LYS 14 HA LYS 14 10.507 -5.743 -7.560 115 1HB LYS 14 2HB LYS 14 8.905 -6.804 -5.975 116 2HB LYS 14 1HB LYS 14 8.595 -8.055 -7.171 117 1HG LYS 14 2HG LYS 14 11.015 -8.640 -7.090 118 2HG LYS 14 1HG LYS 14 11.198 -7.488 -5.764 119 1HD LYS 14 2HD LYS 14 9.514 -8.757 -4.477 120 2HD LYS 14 1HD LYS 14 9.432 -9.939 -5.784 121 1HE LYS 14 2HE LYS 14 11.821 -9.275 -4.072 122 2HE LYS 14 1HE LYS 14 10.890 -10.769 -4.056 123 1HZ LYS 14 1HZ LYS 14 11.594 -11.052 -6.432 124 2HZ LYS 14 2HZ LYS 14 12.838 -11.185 -5.287 125 3HZ LYS 14 3HZ LYS 14 12.678 -9.767 -6.199 126 HN2 GLY 15 H GLY 15 8.781 -8.508 -8.907 127 1HA GLY 15 2HA GLY 15 10.236 -8.470 -11.380 128 2HA GLY 15 1HA GLY 15 10.844 -9.672 -10.250 129 H ARG 16 H ARG 16 9.296 -11.261 -9.417 130 HA ARG 16 HA ARG 16 7.189 -11.813 -11.405 131 1HB ARG 16 2HB ARG 16 8.835 -13.780 -9.804 132 2HB ARG 16 1HB ARG 16 7.521 -14.211 -10.887 133 1HG ARG 16 2HG ARG 16 9.994 -12.751 -11.775 134 2HG ARG 16 1HG ARG 16 9.818 -14.502 -11.826 135 1HD ARG 16 2HD ARG 16 9.318 -13.647 -14.000 136 2HD ARG 16 1HD ARG 16 7.808 -14.184 -13.273 137 HE ARG 16 HE ARG 16 7.950 -11.516 -12.688 138 1HH1 ARG 16 1HH1 ARG 16 8.147 -13.370 -15.648 139 2HH1 ARG 16 2HH1 ARG 16 7.350 -12.156 -16.613 140 1HH2 ARG 16 1HH2 ARG 16 6.920 -9.918 -13.936 141 2HH2 ARG 16 2HH2 ARG 16 6.632 -10.191 -15.628 142 H GLU 17 H GLU 17 7.760 -11.015 -8.207 143 HA GLU 17 HA GLU 17 5.205 -12.193 -7.345 144 1HB GLU 17 2HB GLU 17 7.352 -12.907 -6.151 145 2HB GLU 17 1HB GLU 17 7.424 -11.272 -5.518 146 1HG GLU 17 2HG GLU 17 4.977 -12.939 -5.124 147 2HG GLU 17 1HG GLU 17 6.385 -13.148 -4.087 148 H ALA 18 H ALA 18 3.627 -10.764 -7.283 149 HA ALA 18 HA ALA 18 4.168 -8.006 -6.460 150 1HB ALA 18 1HB ALA 18 2.651 -8.768 -8.957 151 2HB ALA 18 2HB ALA 18 4.263 -8.055 -8.910 152 3HB ALA 18 3HB ALA 18 2.874 -7.134 -8.337 153 HN2 GLY 19 H GLY 19 2.945 -10.156 -5.027 154 1HA GLY 19 2HA GLY 19 0.059 -9.843 -5.384 155 2HA GLY 19 1HA GLY 19 0.858 -11.046 -4.385 156 H SER 20 H SER 20 1.433 -7.557 -4.279 157 HA SER 20 HA SER 20 -0.213 -7.258 -1.913 158 1HB SER 20 2HB SER 20 2.771 -6.750 -1.698 159 2HB SER 20 1HB SER 20 1.570 -6.601 -0.413 160 HG SER 20 HG SER 20 1.354 -9.050 -1.348 161 H LYS 21 H LYS 21 -0.563 -5.067 -1.348 162 HA LYS 21 HA LYS 21 0.581 -3.092 -3.210 163 1HB LYS 21 2HB LYS 21 -2.112 -2.941 -1.836 164 2HB LYS 21 1HB LYS 21 -1.442 -1.745 -2.933 165 1HG LYS 21 2HG LYS 21 -2.707 -2.790 -4.454 166 2HG LYS 21 1HG LYS 21 -1.378 -3.950 -4.500 167 1HD LYS 21 2HD LYS 21 -2.520 -5.355 -2.877 168 2HD LYS 21 1HD LYS 21 -3.825 -4.174 -2.749 169 1HE LYS 21 2HE LYS 21 -4.241 -4.494 -5.190 170 2HE LYS 21 1HE LYS 21 -3.072 -5.812 -5.161 171 1HZ LYS 21 1HZ LYS 21 -4.470 -6.919 -3.486 172 2HZ LYS 21 2HZ LYS 21 -5.289 -6.673 -4.948 173 3HZ LYS 21 3HZ LYS 21 -5.613 -5.672 -3.626 174 H CYS 22 H CYS 22 1.279 -1.141 -2.324 175 HA CYS 22 HA CYS 22 1.281 -1.041 0.623 176 1HB CYS 22 2HB CYS 22 3.485 -0.045 -1.188 177 2HB CYS 22 1HB CYS 22 3.494 -0.059 0.569 178 HG CYS 22 HG CYS 22 4.515 -2.391 0.845 179 H VAL 23 H VAL 23 1.048 0.976 1.572 180 HA VAL 23 HA VAL 23 -0.026 3.037 -0.231 181 HB VAL 23 HB VAL 23 -0.552 2.702 2.729 182 1HG1 VAL 23 1HG1 VAL 23 -1.855 4.482 0.671 183 2HG1 VAL 23 2HG1 VAL 23 -0.786 5.001 1.976 184 3HG1 VAL 23 3HG1 VAL 23 -2.365 4.309 2.349 185 1HG2 VAL 23 1HG2 VAL 23 -1.502 0.839 1.488 186 2HG2 VAL 23 2HG2 VAL 23 -2.285 1.960 0.375 187 3HG2 VAL 23 3HG2 VAL 23 -2.779 1.909 2.067 188 H ILE 24 H ILE 24 1.090 4.854 -0.441 189 HA ILE 24 HA ILE 24 3.431 5.358 1.156 190 HB ILE 24 HB ILE 24 2.135 7.174 -0.885 191 1HG1 ILE 24 2HG1 ILE 24 4.333 5.136 -1.316 192 2HG1 ILE 24 1HG1 ILE 24 2.655 4.908 -1.793 193 1HG2 ILE 24 1HG2 ILE 24 3.751 8.296 0.541 194 2HG2 ILE 24 2HG2 ILE 24 4.386 8.128 -1.094 195 3HG2 ILE 24 3HG2 ILE 24 4.954 7.056 0.186 196 1HD1 ILE 24 1HD1 ILE 24 2.829 6.816 -3.305 197 2HD1 ILE 24 2HD1 ILE 24 4.014 5.564 -3.680 198 3HD1 ILE 24 3HD1 ILE 24 4.513 7.027 -2.830 199 H VAL 25 H VAL 25 2.922 5.876 3.239 200 HA VAL 25 HA VAL 25 0.721 7.748 3.714 201 HB VAL 25 HB VAL 25 0.879 7.062 6.083 202 1HG1 VAL 25 1HG1 VAL 25 -0.657 5.921 4.592 203 2HG1 VAL 25 2HG1 VAL 25 0.008 4.792 5.774 204 3HG1 VAL 25 3HG1 VAL 25 0.614 4.793 4.119 205 1HG2 VAL 25 1HG2 VAL 25 3.247 6.493 6.178 206 2HG2 VAL 25 2HG2 VAL 25 2.978 5.134 5.086 207 3HG2 VAL 25 3HG2 VAL 25 2.257 5.127 6.697 208 H ASP 26 H ASP 26 4.182 7.563 3.918 209 HA ASP 26 HA ASP 26 4.220 10.294 4.955 210 1HB ASP 26 2HB ASP 26 4.493 8.831 6.924 211 2HB ASP 26 1HB ASP 26 5.879 8.065 6.154 212 H ILE 27 H ILE 27 5.708 11.542 4.022 213 HA ILE 27 HA ILE 27 7.589 10.304 2.145 214 HB ILE 27 HB ILE 27 6.840 13.225 2.394 215 1HG1 ILE 27 2HG1 ILE 27 4.893 11.841 1.742 216 2HG1 ILE 27 1HG1 ILE 27 5.416 12.905 0.441 217 1HG2 ILE 27 1HG2 ILE 27 8.316 11.713 0.243 218 2HG2 ILE 27 2HG2 ILE 27 9.010 12.871 1.379 219 3HG2 ILE 27 3HG2 ILE 27 7.854 13.413 0.162 220 1HD1 ILE 27 1HD1 ILE 27 6.551 11.024 -0.632 221 2HD1 ILE 27 2HD1 ILE 27 4.827 10.717 -0.407 222 3HD1 ILE 27 3HD1 ILE 27 6.007 9.962 0.668 223 H ILE 28 H ILE 28 9.570 9.979 2.933 224 HA ILE 28 HA ILE 28 10.476 11.511 5.238 225 HB ILE 28 HB ILE 28 11.811 9.182 3.841 226 1HG1 ILE 28 2HG1 ILE 28 10.169 9.227 6.384 227 2HG1 ILE 28 1HG1 ILE 28 9.607 8.612 4.834 228 1HG2 ILE 28 1HG2 ILE 28 13.150 9.013 5.892 229 2HG2 ILE 28 2HG2 ILE 28 12.367 10.463 6.519 230 3HG2 ILE 28 3HG2 ILE 28 13.386 10.561 5.082 231 1HD1 ILE 28 1HD1 ILE 28 11.894 7.504 6.449 232 2HD1 ILE 28 2HD1 ILE 28 11.326 6.883 4.899 233 3HD1 ILE 28 3HD1 ILE 28 10.277 6.810 6.315 234 H ASP 29 H ASP 29 11.712 10.604 2.034 235 HA ASP 29 HA ASP 29 13.163 13.156 1.939 236 1HB ASP 29 2HB ASP 29 14.652 11.165 2.545 237 2HB ASP 29 1HB ASP 29 14.334 10.559 0.925 238 H ASP 30 H ASP 30 14.302 12.295 -0.689 239 HA ASP 30 HA ASP 30 12.116 13.227 -2.290 240 1HB ASP 30 2HB ASP 30 14.503 13.834 -2.682 241 2HB ASP 30 1HB ASP 30 14.809 12.176 -3.183 242 H ASN 31 H ASN 31 14.034 10.207 -2.339 243 HA ASN 31 HA ASN 31 11.734 8.881 -3.618 244 1HB ASN 31 2HB ASN 31 14.665 8.177 -3.571 245 2HB ASN 31 1HB ASN 31 13.435 7.011 -4.048 246 1HD2 ASN 31 1HD2 ASN 31 12.263 7.365 -5.952 247 2HD2 ASN 31 2HD2 ASN 31 12.827 8.437 -7.185 248 H PHE 32 H PHE 32 13.763 8.910 -0.801 249 HA PHE 32 HA PHE 32 12.933 6.393 0.244 250 1HB PHE 32 2HB PHE 32 14.107 8.819 1.620 251 2HB PHE 32 1HB PHE 32 13.801 7.281 2.424 252 HD1 PHE 32 HD2 PHE 32 14.882 5.187 1.196 253 HD2 PHE 32 HD1 PHE 32 16.218 9.214 0.825 254 HE1 PHE 32 HE2 PHE 32 17.113 4.384 0.527 255 HE2 PHE 32 HE1 PHE 32 18.445 8.416 0.158 256 HZ PHE 32 HZ PHE 32 18.896 6.001 0.008 257 H VAL 33 H VAL 33 10.806 6.049 0.526 258 HA VAL 33 HA VAL 33 9.319 8.033 2.124 259 HB VAL 33 HB VAL 33 7.252 7.329 1.017 260 1HG1 VAL 33 1HG1 VAL 33 7.639 8.358 -1.168 261 2HG1 VAL 33 2HG1 VAL 33 9.378 8.186 -0.941 262 3HG1 VAL 33 3HG1 VAL 33 8.450 9.246 0.120 263 1HG2 VAL 33 1HG2 VAL 33 9.036 5.652 -0.740 264 2HG2 VAL 33 2HG2 VAL 33 7.316 5.934 -0.999 265 3HG2 VAL 33 3HG2 VAL 33 7.862 5.053 0.427 266 H LEU 34 H LEU 34 7.545 7.093 3.410 267 HA LEU 34 HA LEU 34 8.308 4.431 4.388 268 1HB LEU 34 2HB LEU 34 8.244 6.468 5.938 269 2HB LEU 34 1HB LEU 34 6.503 6.404 5.776 270 HG LEU 34 HG LEU 34 8.078 4.046 6.786 271 1HD1 LEU 34 1HD1 LEU 34 6.893 6.294 8.406 272 2HD1 LEU 34 2HD1 LEU 34 8.612 5.960 8.198 273 3HD1 LEU 34 3HD1 LEU 34 7.585 4.806 9.050 274 1HD2 LEU 34 1HD2 LEU 34 5.756 3.653 6.059 275 2HD2 LEU 34 2HD2 LEU 34 5.208 4.885 7.200 276 3HD2 LEU 34 3HD2 LEU 34 5.969 3.408 7.793 277 H VAL 35 H VAL 35 7.102 2.806 3.711 278 HA VAL 35 HA VAL 35 4.319 3.371 2.934 279 HB VAL 35 HB VAL 35 4.465 1.405 1.434 280 1HG1 VAL 35 1HG1 VAL 35 6.519 3.556 0.921 281 2HG1 VAL 35 2HG1 VAL 35 4.801 3.633 0.526 282 3HG1 VAL 35 3HG1 VAL 35 5.844 2.474 -0.297 283 1HG2 VAL 35 1HG2 VAL 35 7.406 1.468 2.103 284 2HG2 VAL 35 2HG2 VAL 35 6.646 0.466 0.867 285 3HG2 VAL 35 3HG2 VAL 35 6.264 0.207 2.569 286 H THR 36 H THR 36 2.740 1.822 3.429 287 HA THR 36 HA THR 36 3.359 -0.491 5.006 288 HB THR 36 HB THR 36 3.548 1.330 6.704 289 HG1 THR 36 HG1 THR 36 1.194 -0.093 7.341 290 1HG2 THR 36 1HG2 THR 36 0.624 1.777 6.101 291 2HG2 THR 36 2HG2 THR 36 1.936 2.899 5.753 292 3HG2 THR 36 3HG2 THR 36 1.528 2.518 7.423 293 HN2 GLY 37 H GLY 37 1.269 -1.539 5.751 294 1HA GLY 37 2HA GLY 37 -1.007 -0.731 4.046 295 2HA GLY 37 1HA GLY 37 -0.582 -2.421 4.300 296 HA PRO 38 HA PRO 38 -3.597 -0.540 7.621 297 1HB PRO 38 2HB PRO 38 -5.365 -2.556 6.325 298 2HB PRO 38 1HB PRO 38 -5.768 -0.968 6.988 299 1HG PRO 38 2HG PRO 38 -5.621 -1.339 4.357 300 2HG PRO 38 1HG PRO 38 -5.022 0.156 5.099 301 1HD PRO 38 2HD PRO 38 -3.494 -2.183 4.047 302 2HD PRO 38 1HD PRO 38 -3.089 -0.455 4.001 303 H LYS 39 H LYS 39 -3.142 -1.494 9.502 304 HA LYS 39 HA LYS 39 -1.879 -4.021 9.598 305 1HB LYS 39 2HB LYS 39 -1.735 -3.710 11.968 306 2HB LYS 39 1HB LYS 39 -1.466 -2.152 11.210 307 1HG LYS 39 2HG LYS 39 -3.659 -1.410 11.799 308 2HG LYS 39 1HG LYS 39 -4.109 -3.021 12.362 309 1HD LYS 39 2HD LYS 39 -2.246 -2.815 14.056 310 2HD LYS 39 1HD LYS 39 -2.121 -1.118 13.592 311 1HE LYS 39 2HE LYS 39 -4.655 -2.414 14.584 312 2HE LYS 39 1HE LYS 39 -3.520 -1.555 15.620 313 1HZ LYS 39 1HZ LYS 39 -4.889 -0.333 13.277 314 2HZ LYS 39 2HZ LYS 39 -3.931 0.458 14.436 315 3HZ LYS 39 3HZ LYS 39 -5.424 -0.200 14.883 316 H ASP 40 H ASP 40 -5.162 -3.011 9.957 317 HA ASP 40 HA ASP 40 -5.968 -5.524 11.189 318 1HB ASP 40 2HB ASP 40 -6.824 -3.383 12.070 319 2HB ASP 40 1HB ASP 40 -7.571 -3.054 10.516 320 H ILE 41 H ILE 41 -5.282 -4.686 8.146 321 HA ILE 41 HA ILE 41 -7.383 -6.457 7.085 322 HB ILE 41 HB ILE 41 -6.258 -4.058 5.625 323 1HG1 ILE 41 2HG1 ILE 41 -9.046 -4.567 6.693 324 2HG1 ILE 41 1HG1 ILE 41 -7.876 -3.449 7.387 325 1HG2 ILE 41 1HG2 ILE 41 -8.310 -6.097 4.785 326 2HG2 ILE 41 2HG2 ILE 41 -6.700 -5.881 4.101 327 3HG2 ILE 41 3HG2 ILE 41 -7.924 -4.626 3.893 328 1HD1 ILE 41 1HD1 ILE 41 -7.930 -2.119 5.345 329 2HD1 ILE 41 2HD1 ILE 41 -9.538 -2.284 6.050 330 3HD1 ILE 41 3HD1 ILE 41 -9.089 -3.245 4.642 331 H THR 42 H THR 42 -4.572 -4.896 5.588 332 HA THR 42 HA THR 42 -3.964 -7.272 4.128 333 HB THR 42 HB THR 42 -1.998 -5.052 4.256 334 HG1 THR 42 HG1 THR 42 -3.992 -4.319 2.614 335 1HG2 THR 42 1HG2 THR 42 -2.041 -5.340 1.823 336 2HG2 THR 42 2HG2 THR 42 -3.372 -6.487 1.976 337 3HG2 THR 42 3HG2 THR 42 -1.783 -6.885 2.632 338 HN2 GLY 43 H GLY 43 -2.491 -5.557 6.850 339 1HA GLY 43 2HA GLY 43 -1.103 -6.401 8.501 340 2HA GLY 43 1HA GLY 43 -1.157 -7.967 7.705 341 H VAL 44 H VAL 44 -0.180 -4.929 6.224 342 HA VAL 44 HA VAL 44 2.434 -6.099 5.638 343 HB VAL 44 HB VAL 44 1.187 -3.561 4.567 344 1HG1 VAL 44 1HG1 VAL 44 3.604 -3.445 4.510 345 2HG1 VAL 44 2HG1 VAL 44 2.978 -3.667 2.877 346 3HG1 VAL 44 3HG1 VAL 44 3.688 -5.031 3.740 347 1HG2 VAL 44 1HG2 VAL 44 1.454 -6.287 3.305 348 2HG2 VAL 44 2HG2 VAL 44 0.892 -4.830 2.483 349 3HG2 VAL 44 3HG2 VAL 44 -0.043 -5.508 3.816 350 H LYS 45 H LYS 45 4.112 -5.598 6.847 351 HA LYS 45 HA LYS 45 3.952 -3.722 8.956 352 1HB LYS 45 2HB LYS 45 6.373 -4.245 9.290 353 2HB LYS 45 1HB LYS 45 5.328 -5.657 9.254 354 1HG LYS 45 2HG LYS 45 5.974 -5.986 6.870 355 2HG LYS 45 1HG LYS 45 7.142 -4.675 7.063 356 1HD LYS 45 2HD LYS 45 8.308 -5.915 8.781 357 2HD LYS 45 1HD LYS 45 7.089 -7.190 8.730 358 1HE LYS 45 2HE LYS 45 7.700 -7.604 6.361 359 2HE LYS 45 1HE LYS 45 9.001 -6.423 6.526 360 1HZ LYS 45 1HZ LYS 45 9.923 -7.802 8.322 361 2HZ LYS 45 2HZ LYS 45 9.863 -8.628 6.842 362 3HZ LYS 45 3HZ LYS 45 8.712 -8.963 8.047 363 H ARG 46 H ARG 46 4.895 -1.767 9.246 364 HA ARG 46 HA ARG 46 5.257 -0.196 6.858 365 1HB ARG 46 2HB ARG 46 5.479 1.680 8.597 366 2HB ARG 46 1HB ARG 46 3.932 0.854 8.489 367 1HG ARG 46 2HG ARG 46 4.738 -0.606 10.401 368 2HG ARG 46 1HG ARG 46 6.052 0.556 10.594 369 1HD ARG 46 2HD ARG 46 3.141 1.325 10.605 370 2HD ARG 46 1HD ARG 46 4.037 0.917 12.066 371 HE ARG 46 HE ARG 46 5.577 2.840 11.032 372 1HH1 ARG 46 1HH1 ARG 46 2.107 2.672 11.465 373 2HH1 ARG 46 2HH1 ARG 46 1.917 4.374 11.755 374 1HH2 ARG 46 1HH2 ARG 46 5.346 5.093 11.414 375 2HH2 ARG 46 2HH2 ARG 46 3.765 5.746 11.723 376 H ARG 47 H ARG 47 7.116 0.496 6.020 377 HA ARG 47 HA ARG 47 9.452 0.896 7.638 378 1HB ARG 47 2HB ARG 47 10.927 -0.663 6.538 379 2HB ARG 47 1HB ARG 47 9.568 -1.553 7.206 380 1HG ARG 47 2HG ARG 47 8.567 -1.755 5.029 381 2HG ARG 47 1HG ARG 47 9.819 -0.733 4.319 382 1HD ARG 47 2HD ARG 47 10.199 -3.451 5.575 383 2HD ARG 47 1HD ARG 47 10.305 -3.060 3.858 384 HE ARG 47 HE ARG 47 12.135 -1.643 5.625 385 1HH1 ARG 47 1HH1 ARG 47 11.675 -4.339 3.434 386 2HH1 ARG 47 2HH1 ARG 47 13.373 -4.540 3.120 387 1HH2 ARG 47 1HH2 ARG 47 14.346 -1.911 5.240 388 2HH2 ARG 47 2HH2 ARG 47 14.900 -3.144 4.146 389 H ARG 48 H ARG 48 11.332 1.578 6.191 390 HA ARG 48 HA ARG 48 10.272 3.489 4.266 391 1HB ARG 48 2HB ARG 48 12.593 4.419 4.326 392 2HB ARG 48 1HB ARG 48 11.786 4.398 5.889 393 1HG ARG 48 2HG ARG 48 13.017 2.328 6.454 394 2HG ARG 48 1HG ARG 48 13.880 2.463 4.922 395 1HD ARG 48 2HD ARG 48 14.838 4.573 5.604 396 2HD ARG 48 1HD ARG 48 13.895 4.554 7.094 397 HE ARG 48 HE ARG 48 15.436 2.207 6.955 398 1HH1 ARG 48 1HH1 ARG 48 15.832 5.665 7.417 399 2HH1 ARG 48 2HH1 ARG 48 17.280 5.488 8.369 400 1HH2 ARG 48 1HH2 ARG 48 17.291 1.975 8.196 401 2HH2 ARG 48 2HH2 ARG 48 18.118 3.376 8.816 402 H VAL 49 H VAL 49 10.553 3.399 2.126 403 HA VAL 49 HA VAL 49 12.506 1.518 0.993 404 HB VAL 49 HB VAL 49 9.656 1.748 -0.008 405 1HG1 VAL 49 1HG1 VAL 49 11.264 1.268 -1.771 406 2HG1 VAL 49 2HG1 VAL 49 10.256 -0.145 -1.453 407 3HG1 VAL 49 3HG1 VAL 49 11.908 -0.081 -0.838 408 1HG2 VAL 49 1HG2 VAL 49 9.356 -0.552 0.791 409 2HG2 VAL 49 2HG2 VAL 49 9.685 0.567 2.114 410 3HG2 VAL 49 3HG2 VAL 49 10.959 -0.500 1.522 411 H ASN 50 H ASN 50 13.311 2.162 -1.061 412 HA ASN 50 HA ASN 50 12.911 5.010 -1.603 413 1HB ASN 50 2HB ASN 50 15.024 4.918 -2.818 414 2HB ASN 50 1HB ASN 50 15.224 4.224 -1.213 415 1HD2 ASN 50 1HD2 ASN 50 16.710 3.838 -3.759 416 2HD2 ASN 50 2HD2 ASN 50 16.714 2.125 -4.008 417 H ILE 51 H ILE 51 11.068 2.891 -2.472 418 HA ILE 51 HA ILE 51 9.790 2.303 -4.270 419 HB ILE 51 HB ILE 51 11.062 4.675 -5.626 420 1HG1 ILE 51 2HG1 ILE 51 10.223 5.210 -3.341 421 2HG1 ILE 51 1HG1 ILE 51 9.379 6.062 -4.620 422 1HG2 ILE 51 1HG2 ILE 51 9.681 3.288 -7.098 423 2HG2 ILE 51 2HG2 ILE 51 8.919 4.852 -6.810 424 3HG2 ILE 51 3HG2 ILE 51 8.337 3.418 -5.963 425 1HD1 ILE 51 1HD1 ILE 51 7.832 5.293 -2.926 426 2HD1 ILE 51 2HD1 ILE 51 8.388 3.635 -3.154 427 3HD1 ILE 51 3HD1 ILE 51 7.533 4.462 -4.455 428 H LEU 52 H LEU 52 12.521 1.333 -3.974 429 HA LEU 52 HA LEU 52 14.137 1.055 -6.111 430 1HB LEU 52 2HB LEU 52 14.542 -0.016 -3.961 431 2HB LEU 52 1HB LEU 52 13.252 -1.163 -4.268 432 HG LEU 52 HG LEU 52 14.565 -2.030 -6.208 433 1HD1 LEU 52 1HD1 LEU 52 16.936 -1.472 -6.351 434 2HD1 LEU 52 2HD1 LEU 52 16.736 -0.271 -5.078 435 3HD1 LEU 52 3HD1 LEU 52 15.928 -0.054 -6.629 436 1HD2 LEU 52 1HD2 LEU 52 16.157 -3.280 -4.845 437 2HD2 LEU 52 2HD2 LEU 52 14.593 -3.151 -4.040 438 3HD2 LEU 52 3HD2 LEU 52 15.936 -2.133 -3.522 439 H HIS 53 H HIS 53 11.174 -0.862 -5.634 440 HA HIS 53 HA HIS 53 11.023 -1.250 -8.507 441 1HB HIS 53 2HB HIS 53 11.864 -3.349 -6.695 442 2HB HIS 53 1HB HIS 53 10.370 -3.792 -7.516 443 HD1 HIS 53 HD1 HIS 53 13.824 -4.241 -7.916 444 HD2 HIS 53 HD2 HIS 53 10.774 -3.089 -10.502 445 HE1 HIS 53 HE1 HIS 53 14.687 -4.694 -10.230 446 HE2 HIS 53 HE2 HIS 53 12.752 -4.189 -11.760 447 H LEU 54 H LEU 54 9.493 0.378 -6.985 448 HA LEU 54 HA LEU 54 6.928 -1.047 -6.711 449 1HB LEU 54 2HB LEU 54 7.900 1.526 -5.459 450 2HB LEU 54 1HB LEU 54 6.223 1.028 -5.430 451 HG LEU 54 HG LEU 54 7.171 0.485 -3.315 452 1HD1 LEU 54 1HD1 LEU 54 6.911 -1.953 -3.223 453 2HD1 LEU 54 2HD1 LEU 54 6.949 -2.007 -4.986 454 3HD1 LEU 54 3HD1 LEU 54 5.634 -1.172 -4.156 455 1HD2 LEU 54 1HD2 LEU 54 9.118 -1.005 -3.072 456 2HD2 LEU 54 2HD2 LEU 54 9.519 0.520 -3.863 457 3HD2 LEU 54 3HD2 LEU 54 9.349 -0.951 -4.820 458 H GLU 55 H GLU 55 5.005 0.126 -7.485 459 HA GLU 55 HA GLU 55 5.475 2.348 -9.289 460 1HB GLU 55 2HB GLU 55 5.900 0.282 -10.643 461 2HB GLU 55 1HB GLU 55 4.241 -0.209 -10.336 462 1HG GLU 55 2HG GLU 55 3.389 1.667 -11.548 463 2HG GLU 55 1HG GLU 55 5.004 2.362 -11.700 464 HA PRO 56 HA PRO 56 1.445 3.324 -7.608 465 1HB PRO 56 2HB PRO 56 0.960 5.475 -9.216 466 2HB PRO 56 1HB PRO 56 2.007 5.542 -7.794 467 1HG PRO 56 2HG PRO 56 2.746 5.266 -10.680 468 2HG PRO 56 1HG PRO 56 3.504 6.259 -9.420 469 1HD PRO 56 2HD PRO 56 4.545 3.899 -10.223 470 2HD PRO 56 1HD PRO 56 4.683 4.476 -8.549 471 H THR 57 H THR 57 -0.363 2.268 -8.115 472 HA THR 57 HA THR 57 -1.131 2.051 -10.943 473 HB THR 57 HB THR 57 -1.881 -0.329 -10.383 474 HG1 THR 57 HG1 THR 57 -1.479 0.010 -8.059 475 1HG2 THR 57 1HG2 THR 57 0.325 -1.270 -10.859 476 2HG2 THR 57 2HG2 THR 57 1.079 0.270 -10.441 477 3HG2 THR 57 3HG2 THR 57 0.021 0.159 -11.848 478 H ASP 58 H ASP 58 -3.273 2.116 -11.368 479 HA ASP 58 HA ASP 58 -5.523 2.239 -11.125 480 1HB ASP 58 2HB ASP 58 -4.946 0.064 -9.761 481 2HB ASP 58 1HB ASP 58 -5.376 1.053 -8.372 482 H LYS 59 H LYS 59 -7.019 2.617 -8.688 483 HA LYS 59 HA LYS 59 -6.734 5.476 -8.534 484 1HB LYS 59 2HB LYS 59 -8.636 3.608 -7.103 485 2HB LYS 59 1HB LYS 59 -8.779 5.359 -7.181 486 1HG LYS 59 2HG LYS 59 -9.161 5.277 -9.552 487 2HG LYS 59 1HG LYS 59 -8.851 3.541 -9.581 488 1HD LYS 59 2HD LYS 59 -11.110 4.878 -8.089 489 2HD LYS 59 1HD LYS 59 -11.260 4.083 -9.655 490 1HE LYS 59 2HE LYS 59 -10.419 2.765 -7.073 491 2HE LYS 59 1HE LYS 59 -12.000 2.622 -7.838 492 1HZ LYS 59 1HZ LYS 59 -9.399 1.628 -8.884 493 2HZ LYS 59 2HZ LYS 59 -10.827 1.657 -9.793 494 3HZ LYS 59 3HZ LYS 59 -10.738 0.703 -8.400 495 H LYS 60 H LYS 60 -6.348 6.692 -6.679 496 HA LYS 60 HA LYS 60 -5.012 5.249 -4.497 497 1HB LYS 60 2HB LYS 60 -3.560 7.222 -4.260 498 2HB LYS 60 1HB LYS 60 -3.406 6.481 -5.841 499 1HG LYS 60 2HG LYS 60 -3.491 8.663 -6.456 500 2HG LYS 60 1HG LYS 60 -5.218 8.303 -6.469 501 1HD LYS 60 2HD LYS 60 -4.759 10.417 -5.325 502 2HD LYS 60 1HD LYS 60 -5.428 9.221 -4.209 503 1HE LYS 60 2HE LYS 60 -3.167 8.703 -3.423 504 2HE LYS 60 1HE LYS 60 -2.508 9.902 -4.530 505 1HZ LYS 60 1HZ LYS 60 -3.734 11.615 -3.332 506 2HZ LYS 60 2HZ LYS 60 -2.680 10.779 -2.305 507 3HZ LYS 60 3HZ LYS 60 -4.338 10.447 -2.261 508 H ILE 61 H ILE 61 -5.166 6.264 -2.378 509 HA ILE 61 HA ILE 61 -7.766 7.497 -2.003 510 HB ILE 61 HB ILE 61 -7.246 7.295 0.446 511 1HG1 ILE 61 2HG1 ILE 61 -4.854 5.728 -0.556 512 2HG1 ILE 61 1HG1 ILE 61 -4.782 7.283 0.264 513 1HG2 ILE 61 1HG2 ILE 61 -7.134 4.773 -1.202 514 2HG2 ILE 61 2HG2 ILE 61 -8.586 5.640 -0.705 515 3HG2 ILE 61 3HG2 ILE 61 -7.568 4.865 0.507 516 1HD1 ILE 61 1HD1 ILE 61 -5.832 4.724 1.455 517 2HD1 ILE 61 2HD1 ILE 61 -5.716 6.284 2.273 518 3HD1 ILE 61 3HD1 ILE 61 -4.251 5.441 1.766 519 H ASP 62 H ASP 62 -8.088 9.603 -1.757 520 HA ASP 62 HA ASP 62 -5.787 11.357 -1.839 521 1HB ASP 62 2HB ASP 62 -7.903 11.647 -3.234 522 2HB ASP 62 1HB ASP 62 -8.685 12.197 -1.758 523 H ILE 63 H ILE 63 -4.857 11.232 0.169 524 HA ILE 63 HA ILE 63 -6.441 12.314 2.397 525 HB ILE 63 HB ILE 63 -5.130 10.891 3.948 526 1HG1 ILE 63 2HG1 ILE 63 -4.205 9.499 1.424 527 2HG1 ILE 63 1HG1 ILE 63 -3.197 10.514 2.449 528 1HG2 ILE 63 1HG2 ILE 63 -6.299 8.772 3.437 529 2HG2 ILE 63 2HG2 ILE 63 -6.746 9.433 1.864 530 3HG2 ILE 63 3HG2 ILE 63 -7.344 10.189 3.340 531 1HD1 ILE 63 1HD1 ILE 63 -4.482 7.908 3.231 532 2HD1 ILE 63 2HD1 ILE 63 -3.530 8.938 4.301 533 3HD1 ILE 63 3HD1 ILE 63 -2.772 8.185 2.897 534 H GLN 64 H GLN 64 -4.888 12.992 4.230 535 HA GLN 64 HA GLN 64 -2.764 14.625 3.048 536 1HB GLN 64 2HB GLN 64 -2.897 15.942 5.095 537 2HB GLN 64 1HB GLN 64 -4.496 15.769 4.385 538 1HG GLN 64 2HG GLN 64 -4.772 13.794 6.009 539 2HG GLN 64 1HG GLN 64 -3.379 14.478 6.843 540 1HE2 GLN 64 1HE2 GLN 64 -4.235 17.222 6.069 541 2HE2 GLN 64 2HE2 GLN 64 -5.538 17.610 7.142 542 H LYS 65 H LYS 65 -0.651 14.700 4.106 543 HA LYS 65 HA LYS 65 0.237 12.108 4.886 544 1HB LYS 65 2HB LYS 65 1.699 13.731 3.684 545 2HB LYS 65 1HB LYS 65 1.737 14.730 5.134 546 1HG LYS 65 2HG LYS 65 2.822 12.955 6.367 547 2HG LYS 65 1HG LYS 65 2.714 11.886 4.970 548 1HD LYS 65 2HD LYS 65 4.940 12.743 5.076 549 2HD LYS 65 1HD LYS 65 4.131 13.511 3.711 550 1HE LYS 65 2HE LYS 65 3.844 15.540 4.921 551 2HE LYS 65 1HE LYS 65 4.339 14.780 6.434 552 1HZ LYS 65 1HZ LYS 65 6.558 14.486 5.512 553 2HZ LYS 65 2HZ LYS 65 6.118 16.120 5.507 554 3HZ LYS 65 3HZ LYS 65 6.082 15.233 4.063 555 HN2 GLY 66 H GLY 66 -0.032 11.223 6.796 556 1HA GLY 66 2HA GLY 66 0.509 11.397 9.211 557 2HA GLY 66 1HA GLY 66 -0.243 12.986 9.158 558 H ALA 67 H ALA 67 -1.450 10.155 7.497 559 HA ALA 67 HA ALA 67 -3.983 10.403 8.871 560 1HB ALA 67 1HB ALA 67 -4.800 8.777 7.267 561 2HB ALA 67 2HB ALA 67 -3.157 8.488 6.691 562 3HB ALA 67 3HB ALA 67 -3.918 10.059 6.436 563 H SER 68 H SER 68 -4.984 8.718 10.022 564 HA SER 68 HA SER 68 -3.066 6.983 11.388 565 1HB SER 68 2HB SER 68 -5.951 7.588 12.085 566 2HB SER 68 1HB SER 68 -4.788 6.734 13.099 567 HG SER 68 HG SER 68 -4.488 9.418 12.196 568 H ASP 69 H ASP 69 -3.676 4.745 11.876 569 HA ASP 69 HA ASP 69 -4.332 3.275 9.587 570 1HB ASP 69 2HB ASP 69 -3.012 2.220 11.263 571 2HB ASP 69 1HB ASP 69 -4.220 2.518 12.508 572 H GLU 70 H GLU 70 -6.304 4.201 12.374 573 HA GLU 70 HA GLU 70 -8.673 2.870 11.617 574 1HB GLU 70 2HB GLU 70 -8.272 3.924 13.838 575 2HB GLU 70 1HB GLU 70 -8.405 5.501 13.087 576 1HG GLU 70 2HG GLU 70 -10.709 4.954 12.408 577 2HG GLU 70 1HG GLU 70 -10.574 3.425 13.278 578 H GLU 71 H GLU 71 -7.573 6.167 11.082 579 HA GLU 71 HA GLU 71 -9.749 7.147 9.666 580 1HB GLU 71 2HB GLU 71 -7.992 8.566 10.580 581 2HB GLU 71 1HB GLU 71 -6.835 7.905 9.434 582 1HG GLU 71 2HG GLU 71 -8.068 8.880 7.589 583 2HG GLU 71 1HG GLU 71 -9.282 9.501 8.708 584 H VAL 72 H VAL 72 -6.781 5.626 8.391 585 HA VAL 72 HA VAL 72 -7.411 5.879 5.672 586 HB VAL 72 HB VAL 72 -5.782 3.728 7.044 587 1HG1 VAL 72 1HG1 VAL 72 -6.503 2.966 4.854 588 2HG1 VAL 72 2HG1 VAL 72 -4.777 3.329 4.845 589 3HG1 VAL 72 3HG1 VAL 72 -5.919 4.462 4.123 590 1HG2 VAL 72 1HG2 VAL 72 -3.858 5.067 6.297 591 2HG2 VAL 72 2HG2 VAL 72 -4.898 5.960 7.403 592 3HG2 VAL 72 3HG2 VAL 72 -4.966 6.288 5.673 593 H LYS 73 H LYS 73 -8.094 3.183 7.921 594 HA LYS 73 HA LYS 73 -9.423 1.634 5.947 595 1HB LYS 73 2HB LYS 73 -9.221 1.493 8.935 596 2HB LYS 73 1HB LYS 73 -10.312 0.434 8.056 597 1HG LYS 73 2HG LYS 73 -8.384 -0.339 6.698 598 2HG LYS 73 1HG LYS 73 -7.329 0.624 7.728 599 1HD LYS 73 2HD LYS 73 -9.179 -1.345 8.985 600 2HD LYS 73 1HD LYS 73 -7.717 -1.929 8.194 601 1HE LYS 73 2HE LYS 73 -7.175 -1.632 10.472 602 2HE LYS 73 1HE LYS 73 -6.432 -0.295 9.600 603 1HZ LYS 73 1HZ LYS 73 -8.293 1.108 10.291 604 2HZ LYS 73 2HZ LYS 73 -7.452 0.474 11.616 605 3HZ LYS 73 3HZ LYS 73 -8.949 -0.184 11.172 606 H LYS 74 H LYS 74 -10.414 4.130 8.147 607 HA LYS 74 HA LYS 74 -13.212 3.813 7.989 608 1HB LYS 74 2HB LYS 74 -11.798 5.353 9.501 609 2HB LYS 74 1HB LYS 74 -11.790 6.468 8.145 610 1HG LYS 74 2HG LYS 74 -14.188 6.649 8.223 611 2HG LYS 74 1HG LYS 74 -14.267 5.426 9.496 612 1HD LYS 74 2HD LYS 74 -12.822 6.930 10.897 613 2HD LYS 74 1HD LYS 74 -13.025 8.169 9.660 614 1HE LYS 74 2HE LYS 74 -15.410 8.193 10.015 615 2HE LYS 74 1HE LYS 74 -15.290 6.847 11.147 616 1HZ LYS 74 1HZ LYS 74 -14.269 9.612 11.520 617 2HZ LYS 74 2HZ LYS 74 -13.856 8.329 12.539 618 3HZ LYS 74 3HZ LYS 74 -15.472 8.821 12.419 619 H LYS 75 H LYS 75 -10.873 5.570 6.021 620 HA LYS 75 HA LYS 75 -12.717 6.589 4.122 621 1HB LYS 75 2HB LYS 75 -9.767 5.997 3.807 622 2HB LYS 75 1HB LYS 75 -10.731 6.955 2.699 623 1HG LYS 75 2HG LYS 75 -10.188 7.653 5.577 624 2HG LYS 75 1HG LYS 75 -9.346 8.327 4.185 625 1HD LYS 75 2HD LYS 75 -10.939 9.952 4.729 626 2HD LYS 75 1HD LYS 75 -11.670 9.078 3.383 627 1HE LYS 75 2HE LYS 75 -13.019 7.784 4.934 628 2HE LYS 75 1HE LYS 75 -12.249 8.585 6.300 629 1HZ LYS 75 1HZ LYS 75 -13.278 10.609 5.773 630 2HZ LYS 75 2HZ LYS 75 -14.497 9.437 5.612 631 3HZ LYS 75 3HZ LYS 75 -13.753 10.079 4.232 632 H LEU 76 H LEU 76 -10.771 3.639 4.268 633 HA LEU 76 HA LEU 76 -11.418 2.663 1.718 634 1HB LEU 76 2HB LEU 76 -10.605 1.238 4.242 635 2HB LEU 76 1HB LEU 76 -10.745 0.453 2.687 636 HG LEU 76 HG LEU 76 -8.832 2.689 3.352 637 1HD1 LEU 76 1HD1 LEU 76 -8.354 -0.251 2.877 638 2HD1 LEU 76 2HD1 LEU 76 -8.226 0.587 4.424 639 3HD1 LEU 76 3HD1 LEU 76 -7.108 0.971 3.117 640 1HD2 LEU 76 1HD2 LEU 76 -7.880 2.262 1.151 641 2HD2 LEU 76 2HD2 LEU 76 -9.570 2.746 1.020 642 3HD2 LEU 76 3HD2 LEU 76 -9.124 1.050 0.836 643 H GLU 77 H GLU 77 -13.141 2.585 4.749 644 HA GLU 77 HA GLU 77 -15.030 0.574 4.031 645 1HB GLU 77 2HB GLU 77 -14.412 1.749 6.362 646 2HB GLU 77 1HB GLU 77 -15.782 2.756 5.922 647 1HG GLU 77 2HG GLU 77 -15.894 -0.245 6.077 648 2HG GLU 77 1HG GLU 77 -16.302 0.824 7.415 649 H GLU 78 H GLU 78 -15.132 4.130 4.060 650 HA GLU 78 HA GLU 78 -17.696 4.406 2.939 651 1HB GLU 78 2HB GLU 78 -15.317 6.263 2.893 652 2HB GLU 78 1HB GLU 78 -16.920 6.718 2.336 653 1HG GLU 78 2HG GLU 78 -17.797 6.269 4.597 654 2HG GLU 78 1HG GLU 78 -16.156 5.904 5.132 655 H SER 79 H SER 79 -14.524 4.071 1.461 656 HA SER 79 HA SER 79 -15.542 4.521 -1.204 657 1HB SER 79 2HB SER 79 -13.271 5.239 -0.627 658 2HB SER 79 1HB SER 79 -12.829 3.576 -0.249 659 HG SER 79 HG SER 79 -13.819 3.522 -2.677 660 H ASN 80 H ASN 80 -15.285 1.877 0.921 661 HA ASN 80 HA ASN 80 -15.795 -0.331 0.753 662 1HB ASN 80 2HB ASN 80 -17.715 0.583 -0.605 663 2HB ASN 80 1HB ASN 80 -16.764 0.272 -2.052 664 1HD2 ASN 80 1HD2 ASN 80 -17.039 -1.716 0.865 665 2HD2 ASN 80 2HD2 ASN 80 -17.743 -3.079 0.069 666 H LEU 81 H LEU 81 -13.273 0.959 -0.470 667 HA LEU 81 HA LEU 81 -12.531 -0.908 -2.567 668 1HB LEU 81 2HB LEU 81 -11.996 1.582 -2.541 669 2HB LEU 81 1HB LEU 81 -10.804 1.219 -1.309 670 HG LEU 81 HG LEU 81 -9.686 -0.323 -2.935 671 1HD1 LEU 81 1HD1 LEU 81 -11.604 -0.751 -4.380 672 2HD1 LEU 81 2HD1 LEU 81 -10.247 -0.100 -5.301 673 3HD1 LEU 81 3HD1 LEU 81 -11.610 0.938 -4.886 674 1HD2 LEU 81 1HD2 LEU 81 -8.656 1.465 -4.237 675 2HD2 LEU 81 2HD2 LEU 81 -8.874 1.949 -2.555 676 3HD2 LEU 81 3HD2 LEU 81 -9.971 2.553 -3.797 677 H THR 82 H THR 82 -12.674 -1.208 0.622 678 HA THR 82 HA THR 82 -10.162 -1.992 1.528 679 HB THR 82 HB THR 82 -11.980 -1.597 3.061 680 HG1 THR 82 HG1 THR 82 -10.606 -4.001 3.064 681 1HG2 THR 82 1HG2 THR 82 -13.847 -3.152 3.327 682 2HG2 THR 82 2HG2 THR 82 -13.273 -4.081 1.945 683 3HG2 THR 82 3HG2 THR 82 -13.843 -2.427 1.721 684 H GLU 83 H GLU 83 -12.670 -3.870 -0.085 685 HA GLU 83 HA GLU 83 -11.498 -6.414 0.218 686 1HB GLU 83 2HB GLU 83 -13.877 -5.812 -0.511 687 2HB GLU 83 1HB GLU 83 -13.205 -5.569 -2.115 688 1HG GLU 83 2HG GLU 83 -14.157 -7.755 -2.006 689 2HG GLU 83 1HG GLU 83 -12.402 -7.906 -2.088 690 H TYR 84 H TYR 84 -11.232 -3.963 -2.298 691 HA TYR 84 HA TYR 84 -9.706 -5.438 -4.142 692 1HB TYR 84 2HB TYR 84 -10.797 -3.397 -4.832 693 2HB TYR 84 1HB TYR 84 -9.888 -2.458 -3.655 694 HD1 TYR 84 HD2 TYR 84 -9.611 -4.365 -6.813 695 HD2 TYR 84 HD1 TYR 84 -7.727 -1.621 -4.165 696 HE1 TYR 84 HE2 TYR 84 -7.888 -3.922 -8.508 697 HE2 TYR 84 HE1 TYR 84 -5.995 -1.171 -5.852 698 HH TYR 84 HH TYR 84 -6.284 -1.980 -9.046 699 H MET 85 H MET 85 -8.761 -3.339 -1.463 700 HA MET 85 HA MET 85 -5.970 -3.448 -1.992 701 1HB MET 85 2HB MET 85 -7.380 -1.811 -0.493 702 2HB MET 85 1HB MET 85 -7.074 -3.000 0.760 703 1HG MET 85 2HG MET 85 -4.932 -1.611 -0.833 704 2HG MET 85 1HG MET 85 -5.488 -1.099 0.753 705 1HE MET 85 1HE MET 85 -1.915 -2.539 1.473 706 2HE MET 85 2HE MET 85 -2.986 -1.148 1.634 707 3HE MET 85 3HE MET 85 -2.442 -1.664 0.034 708 H LYS 86 H LYS 86 -8.147 -5.234 0.118 709 HA LYS 86 HA LYS 86 -6.329 -6.769 1.546 710 1HB LYS 86 2HB LYS 86 -8.631 -6.732 2.189 711 2HB LYS 86 1HB LYS 86 -9.142 -7.365 0.629 712 1HG LYS 86 2HG LYS 86 -7.722 -9.429 1.268 713 2HG LYS 86 1HG LYS 86 -7.829 -8.785 2.908 714 1HD LYS 86 2HD LYS 86 -10.209 -8.909 2.881 715 2HD LYS 86 1HD LYS 86 -10.225 -9.295 1.158 716 1HE LYS 86 2HE LYS 86 -8.992 -11.389 1.676 717 2HE LYS 86 1HE LYS 86 -9.151 -11.013 3.391 718 1HZ LYS 86 1HZ LYS 86 -11.576 -11.043 3.100 719 2HZ LYS 86 2HZ LYS 86 -10.867 -12.535 2.733 720 3HZ LYS 86 3HZ LYS 86 -11.375 -11.507 1.484 721 H GLU 87 H GLU 87 -7.730 -7.355 -1.643 722 HA GLU 87 HA GLU 87 -7.262 -10.026 -1.986 723 1HB GLU 87 2HB GLU 87 -8.433 -8.468 -3.574 724 2HB GLU 87 1HB GLU 87 -6.852 -7.976 -4.162 725 1HG GLU 87 2HG GLU 87 -7.802 -9.625 -5.634 726 2HG GLU 87 1HG GLU 87 -6.390 -10.299 -4.818 727 H LYS 88 H LYS 88 -5.582 -11.305 -2.201 728 HA LYS 88 HA LYS 88 -2.922 -10.080 -2.512 729 1HB LYS 88 2HB LYS 88 -3.552 -10.997 -0.232 730 2HB LYS 88 1HB LYS 88 -3.581 -12.591 -0.969 731 1HG LYS 88 2HG LYS 88 -1.284 -12.637 -1.258 732 2HG LYS 88 1HG LYS 88 -1.137 -10.879 -1.158 733 1HD LYS 88 2HD LYS 88 -1.905 -12.698 1.129 734 2HD LYS 88 1HD LYS 88 -0.301 -12.002 0.874 735 1HE LYS 88 2HE LYS 88 -1.105 -9.797 1.206 736 2HE LYS 88 1HE LYS 88 -2.784 -10.319 1.117 737 1HZ LYS 88 1HZ LYS 88 -2.144 -9.879 3.384 738 2HZ LYS 88 2HZ LYS 88 -0.864 -10.987 3.288 739 3HZ LYS 88 3HZ LYS 88 -2.470 -11.531 3.194 740 H ILE 89 H ILE 89 -1.464 -11.102 -3.878 741 HA ILE 89 HA ILE 89 -2.636 -13.192 -5.604 742 HB ILE 89 HB ILE 89 -0.483 -11.228 -6.407 743 1HG1 ILE 89 2HG1 ILE 89 -2.545 -9.991 -5.889 744 2HG1 ILE 89 1HG1 ILE 89 -2.214 -9.979 -7.617 745 1HG2 ILE 89 1HG2 ILE 89 -1.065 -11.903 -8.685 746 2HG2 ILE 89 2HG2 ILE 89 -2.257 -13.034 -8.042 747 3HG2 ILE 89 3HG2 ILE 89 -0.542 -13.278 -7.712 748 1HD1 ILE 89 1HD1 ILE 89 -4.574 -10.304 -7.172 749 2HD1 ILE 89 2HD1 ILE 89 -4.210 -11.741 -6.216 750 3HD1 ILE 89 3HD1 ILE 89 -3.880 -11.728 -7.948 751 H LYS 90 H LYS 90 -1.266 -14.880 -6.309 752 HA LYS 90 HA LYS 90 0.297 -16.497 -6.084 753 1HB LYS 90 2HB LYS 90 1.844 -14.002 -5.873 754 2HB LYS 90 1HB LYS 90 2.635 -15.405 -5.171 755 1HG LYS 90 2HG LYS 90 3.348 -15.139 -7.438 756 2HG LYS 90 1HG LYS 90 2.363 -16.594 -7.309 757 1HD LYS 90 2HD LYS 90 0.435 -15.348 -8.186 758 2HD LYS 90 1HD LYS 90 1.450 -13.910 -8.339 759 1HE LYS 90 2HE LYS 90 2.918 -15.143 -9.888 760 2HE LYS 90 1HE LYS 90 1.851 -16.538 -9.766 761 1HZ LYS 90 1HZ LYS 90 1.145 -13.868 -10.857 762 2HZ LYS 90 2HZ LYS 90 0.051 -15.148 -10.657 763 3HZ LYS 90 3HZ LYS 90 1.342 -15.301 -11.743 764 H ILE 91 H ILE 91 -1.407 -15.948 -3.933 765 HA ILE 91 HA ILE 91 0.278 -16.526 -1.605 766 HB ILE 91 HB ILE 91 -1.156 -14.647 -1.194 767 1HG1 ILE 91 2HG1 ILE 91 -2.509 -15.476 0.728 768 2HG1 ILE 91 1HG1 ILE 91 -2.200 -17.123 0.189 769 1HG2 ILE 91 1HG2 ILE 91 -3.613 -14.793 -1.297 770 2HG2 ILE 91 2HG2 ILE 91 -3.464 -16.400 -2.013 771 3HG2 ILE 91 3HG2 ILE 91 -2.846 -14.989 -2.874 772 1HD1 ILE 91 1HD1 ILE 91 0.177 -16.819 0.549 773 2HD1 ILE 91 2HD1 ILE 91 -0.729 -16.455 2.021 774 3HD1 ILE 91 3HD1 ILE 91 -0.094 -15.142 1.028 775 H ARG 92 H ARG 92 0.586 -18.612 -1.333 776 HA ARG 92 HA ARG 92 -1.544 -20.484 -2.043 777 1HB ARG 92 2HB ARG 92 1.335 -21.027 -1.269 778 2HB ARG 92 1HB ARG 92 0.166 -22.247 -1.754 779 1HG ARG 92 2HG ARG 92 1.282 -21.949 -3.716 780 2HG ARG 92 1HG ARG 92 -0.003 -20.759 -3.915 781 1HD ARG 92 2HD ARG 92 2.054 -19.728 -4.556 782 2HD ARG 92 1HD ARG 92 1.556 -19.032 -3.015 783 HE ARG 92 HE ARG 92 3.212 -21.072 -2.292 784 1HH1 ARG 92 1HH1 ARG 92 3.526 -18.255 -4.355 785 2HH1 ARG 92 2HH1 ARG 92 5.252 -18.151 -4.178 786 1HH2 ARG 92 1HH2 ARG 92 5.488 -20.946 -2.063 787 2HH2 ARG 92 2HH2 ARG 92 6.369 -19.702 -2.902 788 H MET 93 H MET 93 -2.893 -21.120 -0.531 789 HA MET 93 HA MET 93 -1.902 -21.420 2.225 790 1HB MET 93 2HB MET 93 -4.505 -20.197 1.316 791 2HB MET 93 1HB MET 93 -4.262 -20.791 2.950 792 1HG MET 93 2HG MET 93 -2.382 -19.205 3.200 793 2HG MET 93 1HG MET 93 -2.752 -18.569 1.597 794 1HE MET 93 1HE MET 93 -2.923 -16.116 2.712 795 2HE MET 93 2HE MET 93 -2.589 -16.818 4.296 796 3HE MET 93 3HE MET 93 -3.977 -15.751 4.080 797 HA PRO 94 HA PRO 94 -3.556 -25.510 1.264 798 1HB PRO 94 2HB PRO 94 -2.401 -26.153 3.890 799 2HB PRO 94 1HB PRO 94 -2.059 -26.868 2.313 800 1HG PRO 94 2HG PRO 94 -0.285 -25.286 3.572 801 2HG PRO 94 1HG PRO 94 -0.443 -25.302 1.806 802 1HD PRO 94 2HD PRO 94 -1.508 -23.326 3.791 803 2HD PRO 94 1HD PRO 94 -0.767 -23.036 2.201 804 H THR 95 H THR 95 -5.721 -24.902 1.539 805 HA THR 95 HA THR 95 -6.838 -25.672 4.094 806 HB THR 95 HB THR 95 -6.404 -23.217 4.311 807 HG1 THR 95 HG1 THR 95 -9.107 -23.098 4.367 808 1HG2 THR 95 1HG2 THR 95 -7.840 -21.655 3.059 809 2HG2 THR 95 2HG2 THR 95 -8.448 -22.999 2.097 810 3HG2 THR 95 3HG2 THR 95 -6.749 -22.541 1.996 811 H LEU 96 H LEU 96 -9.127 -26.061 3.965 812 HA LEU 96 HA LEU 96 -10.234 -26.167 1.257 813 1HB LEU 96 2HB LEU 96 -9.082 -28.367 2.069 814 2HB LEU 96 1HB LEU 96 -10.488 -28.527 3.100 815 HG LEU 96 HG LEU 96 -10.648 -28.300 0.095 816 1HD1 LEU 96 1HD1 LEU 96 -11.025 -30.723 0.113 817 2HD1 LEU 96 2HD1 LEU 96 -10.681 -30.757 1.843 818 3HD1 LEU 96 3HD1 LEU 96 -9.417 -30.303 0.700 819 1HD2 LEU 96 1HD2 LEU 96 -12.904 -29.183 0.415 820 2HD2 LEU 96 2HD2 LEU 96 -12.687 -27.660 1.276 821 3HD2 LEU 96 3HD2 LEU 96 -12.660 -29.184 2.163 Start of MODEL 3 1 1H MET 1 1H MET 1 4.701 18.964 -9.687 2 2H MET 1 2H MET 1 5.129 17.686 -8.655 3 3H MET 1 3H MET 1 3.497 18.074 -8.891 4 HA MET 1 HA MET 1 3.578 17.396 -11.164 5 1HB MET 1 2HB MET 1 5.908 18.074 -11.584 6 2HB MET 1 1HB MET 1 6.481 16.759 -10.572 7 1HG MET 1 2HG MET 1 5.530 15.141 -12.141 8 2HG MET 1 1HG MET 1 4.967 16.468 -13.161 9 1HE MET 1 1HE MET 1 6.596 18.144 -14.438 10 2HE MET 1 2HE MET 1 8.354 18.072 -14.325 11 3HE MET 1 3HE MET 1 7.398 18.532 -12.917 12 HA PRO 2 HA PRO 2 2.271 13.484 -9.446 13 1HB PRO 2 2HB PRO 2 2.632 12.545 -12.254 14 2HB PRO 2 1HB PRO 2 1.238 12.373 -11.180 15 1HG PRO 2 2HG PRO 2 1.209 14.151 -13.156 16 2HG PRO 2 1HG PRO 2 0.503 14.542 -11.575 17 1HD PRO 2 2HD PRO 2 3.100 15.416 -12.763 18 2HD PRO 2 1HD PRO 2 1.970 16.317 -11.733 19 H ALA 3 H ALA 3 3.748 12.540 -8.237 20 HA ALA 3 HA ALA 3 5.519 10.581 -9.221 21 1HB ALA 3 1HB ALA 3 7.669 11.600 -8.649 22 2HB ALA 3 2HB ALA 3 6.861 13.131 -8.318 23 3HB ALA 3 3HB ALA 3 6.873 12.474 -9.955 24 H ILE 4 H ILE 4 4.384 9.481 -7.613 25 HA ILE 4 HA ILE 4 4.069 8.530 -5.588 26 HB ILE 4 HB ILE 4 6.499 10.125 -4.786 27 1HG1 ILE 4 2HG1 ILE 4 6.946 8.524 -6.582 28 2HG1 ILE 4 1HG1 ILE 4 7.706 7.997 -5.083 29 1HG2 ILE 4 1HG2 ILE 4 6.684 8.585 -2.888 30 2HG2 ILE 4 2HG2 ILE 4 5.165 7.823 -3.361 31 3HG2 ILE 4 3HG2 ILE 4 5.179 9.505 -2.829 32 1HD1 ILE 4 1HD1 ILE 4 5.155 6.931 -6.269 33 2HD1 ILE 4 2HD1 ILE 4 5.848 6.427 -4.730 34 3HD1 ILE 4 3HD1 ILE 4 6.723 6.123 -6.230 35 H GLU 5 H GLU 5 2.108 9.440 -5.213 36 HA GLU 5 HA GLU 5 1.981 11.988 -3.784 37 1HB GLU 5 2HB GLU 5 -0.094 10.296 -5.177 38 2HB GLU 5 1HB GLU 5 -0.533 11.637 -4.134 39 1HG GLU 5 2HG GLU 5 -0.577 12.272 -6.475 40 2HG GLU 5 1HG GLU 5 0.638 13.186 -5.587 41 H VAL 6 H VAL 6 1.302 12.128 -1.674 42 HA VAL 6 HA VAL 6 1.238 9.822 -0.057 43 HB VAL 6 HB VAL 6 0.256 11.349 1.703 44 1HG1 VAL 6 1HG1 VAL 6 2.316 12.671 1.941 45 2HG1 VAL 6 2HG1 VAL 6 2.763 12.255 0.287 46 3HG1 VAL 6 3HG1 VAL 6 2.652 10.994 1.516 47 1HG2 VAL 6 1HG2 VAL 6 -0.923 12.896 0.225 48 2HG2 VAL 6 2HG2 VAL 6 0.614 13.433 -0.453 49 3HG2 VAL 6 3HG2 VAL 6 0.239 13.754 1.240 50 HN2 GLY 7 H GLY 7 -0.311 8.370 0.190 51 1HA GLY 7 2HA GLY 7 -2.552 7.690 0.575 52 2HA GLY 7 1HA GLY 7 -3.108 9.168 -0.199 53 H ARG 8 H ARG 8 -0.820 8.316 -2.265 54 HA ARG 8 HA ARG 8 -2.715 7.042 -4.035 55 1HB ARG 8 2HB ARG 8 -1.105 8.839 -4.768 56 2HB ARG 8 1HB ARG 8 0.187 7.662 -4.580 57 1HG ARG 8 2HG ARG 8 -0.675 6.305 -6.316 58 2HG ARG 8 1HG ARG 8 -2.180 7.222 -6.375 59 1HD ARG 8 2HD ARG 8 -0.945 9.191 -7.145 60 2HD ARG 8 1HD ARG 8 0.557 8.268 -7.090 61 HE ARG 8 HE ARG 8 -1.496 7.080 -8.734 62 1HH1 ARG 8 1HH1 ARG 8 1.077 9.471 -8.659 63 2HH1 ARG 8 2HH1 ARG 8 1.452 9.288 -10.349 64 1HH2 ARG 8 1HH2 ARG 8 -1.021 6.885 -10.978 65 2HH2 ARG 8 2HH2 ARG 8 0.295 7.800 -11.653 66 H ILE 9 H ILE 9 -2.723 4.948 -4.670 67 HA ILE 9 HA ILE 9 -1.354 3.158 -2.860 68 HB ILE 9 HB ILE 9 -3.336 2.413 -5.007 69 1HG1 ILE 9 2HG1 ILE 9 -4.430 4.091 -3.687 70 2HG1 ILE 9 1HG1 ILE 9 -5.045 2.526 -3.166 71 1HG2 ILE 9 1HG2 ILE 9 -2.102 0.557 -4.047 72 2HG2 ILE 9 2HG2 ILE 9 -3.787 0.509 -3.528 73 3HG2 ILE 9 3HG2 ILE 9 -2.540 1.083 -2.423 74 1HD1 ILE 9 1HD1 ILE 9 -3.585 2.600 -1.216 75 2HD1 ILE 9 2HD1 ILE 9 -4.651 4.003 -1.278 76 3HD1 ILE 9 3HD1 ILE 9 -2.957 4.161 -1.742 77 H CYS 10 H CYS 10 0.325 1.885 -3.370 78 HA CYS 10 HA CYS 10 1.032 1.621 -6.215 79 1HB CYS 10 2HB CYS 10 3.435 1.660 -5.456 80 2HB CYS 10 1HB CYS 10 2.575 3.189 -5.330 81 HG CYS 10 HG CYS 10 2.219 3.076 -2.589 82 H VAL 11 H VAL 11 1.766 -0.304 -6.906 83 HA VAL 11 HA VAL 11 1.720 -2.527 -4.970 84 HB VAL 11 HB VAL 11 0.062 -2.646 -6.833 85 1HG1 VAL 11 1HG1 VAL 11 0.846 -3.197 -9.091 86 2HG1 VAL 11 2HG1 VAL 11 2.502 -2.871 -8.578 87 3HG1 VAL 11 3HG1 VAL 11 1.309 -1.571 -8.592 88 1HG2 VAL 11 1HG2 VAL 11 0.505 -4.970 -7.439 89 2HG2 VAL 11 2HG2 VAL 11 0.824 -4.675 -5.728 90 3HG2 VAL 11 3HG2 VAL 11 2.165 -4.803 -6.866 91 H LYS 12 H LYS 12 3.374 -4.166 -5.203 92 HA LYS 12 HA LYS 12 5.876 -2.983 -6.142 93 1HB LYS 12 2HB LYS 12 5.269 -5.173 -4.179 94 2HB LYS 12 1HB LYS 12 6.873 -5.007 -4.877 95 1HG LYS 12 2HG LYS 12 7.365 -3.509 -3.325 96 2HG LYS 12 1HG LYS 12 6.120 -2.449 -3.984 97 1HD LYS 12 2HD LYS 12 5.605 -4.609 -1.946 98 2HD LYS 12 1HD LYS 12 5.875 -2.911 -1.551 99 1HE LYS 12 2HE LYS 12 3.668 -3.955 -3.319 100 2HE LYS 12 1HE LYS 12 3.484 -3.519 -1.625 101 1HZ LYS 12 1HZ LYS 12 4.048 -1.255 -2.141 102 2HZ LYS 12 2HZ LYS 12 2.777 -1.747 -3.146 103 3HZ LYS 12 3HZ LYS 12 4.352 -1.649 -3.758 104 H VAL 13 H VAL 13 7.061 -3.829 -7.742 105 HA VAL 13 HA VAL 13 6.034 -6.256 -9.037 106 HB VAL 13 HB VAL 13 5.531 -4.324 -10.421 107 1HG1 VAL 13 1HG1 VAL 13 7.284 -2.919 -11.389 108 2HG1 VAL 13 2HG1 VAL 13 8.486 -3.737 -10.391 109 3HG1 VAL 13 3HG1 VAL 13 7.217 -2.776 -9.633 110 1HG2 VAL 13 1HG2 VAL 13 7.780 -5.982 -11.551 111 2HG2 VAL 13 2HG2 VAL 13 6.666 -4.998 -12.500 112 3HG2 VAL 13 3HG2 VAL 13 6.060 -6.373 -11.578 113 H LYS 14 H LYS 14 7.558 -6.916 -7.254 114 HA LYS 14 HA LYS 14 10.360 -6.708 -7.595 115 1HB LYS 14 2HB LYS 14 9.086 -7.301 -5.479 116 2HB LYS 14 1HB LYS 14 8.892 -8.914 -6.147 117 1HG LYS 14 2HG LYS 14 11.253 -9.283 -6.116 118 2HG LYS 14 1HG LYS 14 11.557 -7.602 -5.667 119 1HD LYS 14 2HD LYS 14 10.327 -7.980 -3.560 120 2HD LYS 14 1HD LYS 14 10.116 -9.671 -4.011 121 1HE LYS 14 2HE LYS 14 12.500 -10.027 -3.963 122 2HE LYS 14 1HE LYS 14 12.786 -8.312 -3.663 123 1HZ LYS 14 1HZ LYS 14 11.549 -8.562 -1.560 124 2HZ LYS 14 2HZ LYS 14 12.952 -9.509 -1.612 125 3HZ LYS 14 3HZ LYS 14 11.436 -10.232 -1.843 126 HN2 GLY 15 H GLY 15 7.943 -8.886 -8.854 127 1HA GLY 15 2HA GLY 15 9.267 -9.662 -11.092 128 2HA GLY 15 1HA GLY 15 9.840 -10.797 -9.877 129 H ARG 16 H ARG 16 7.988 -11.752 -8.521 130 HA ARG 16 HA ARG 16 5.702 -12.367 -10.278 131 1HB ARG 16 2HB ARG 16 7.360 -14.201 -10.360 132 2HB ARG 16 1HB ARG 16 7.252 -14.364 -8.614 133 1HG ARG 16 2HG ARG 16 5.944 -16.079 -9.709 134 2HG ARG 16 1HG ARG 16 4.886 -14.979 -8.823 135 1HD ARG 16 2HD ARG 16 3.929 -15.476 -10.991 136 2HD ARG 16 1HD ARG 16 4.410 -13.782 -10.919 137 HE ARG 16 HE ARG 16 6.126 -15.814 -12.200 138 1HH1 ARG 16 1HH1 ARG 16 4.371 -12.780 -12.312 139 2HH1 ARG 16 2HH1 ARG 16 5.022 -12.308 -13.849 140 1HH2 ARG 16 1HH2 ARG 16 6.927 -15.226 -14.259 141 2HH2 ARG 16 2HH2 ARG 16 6.434 -13.723 -14.982 142 H GLU 17 H GLU 17 6.995 -11.900 -7.097 143 HA GLU 17 HA GLU 17 4.308 -12.226 -5.938 144 1HB GLU 17 2HB GLU 17 6.729 -13.445 -5.241 145 2HB GLU 17 1HB GLU 17 6.487 -12.207 -4.017 146 1HG GLU 17 2HG GLU 17 4.306 -14.130 -4.734 147 2HG GLU 17 1HG GLU 17 5.572 -14.557 -3.583 148 H ALA 18 H ALA 18 4.545 -10.969 -3.600 149 HA ALA 18 HA ALA 18 4.594 -8.987 -2.497 150 1HB ALA 18 1HB ALA 18 6.406 -8.007 -4.704 151 2HB ALA 18 2HB ALA 18 6.931 -8.727 -3.182 152 3HB ALA 18 3HB ALA 18 6.085 -7.178 -3.179 153 HN2 GLY 19 H GLY 19 2.678 -9.762 -4.491 154 1HA GLY 19 2HA GLY 19 1.872 -7.418 -5.958 155 2HA GLY 19 1HA GLY 19 0.983 -8.926 -5.832 156 H SER 20 H SER 20 2.080 -7.042 -3.097 157 HA SER 20 HA SER 20 -0.698 -6.648 -2.279 158 1HB SER 20 2HB SER 20 1.820 -6.120 -0.685 159 2HB SER 20 1HB SER 20 0.174 -6.269 -0.069 160 HG SER 20 HG SER 20 0.565 -8.481 -1.343 161 H LYS 21 H LYS 21 -1.191 -4.505 -1.223 162 HA LYS 21 HA LYS 21 0.062 -2.358 -2.796 163 1HB LYS 21 2HB LYS 21 -2.718 -2.459 -1.606 164 2HB LYS 21 1HB LYS 21 -2.040 -1.100 -2.486 165 1HG LYS 21 2HG LYS 21 -3.305 -2.107 -4.108 166 2HG LYS 21 1HG LYS 21 -1.729 -2.846 -4.394 167 1HD LYS 21 2HD LYS 21 -2.401 -4.808 -3.110 168 2HD LYS 21 1HD LYS 21 -3.966 -4.064 -2.775 169 1HE LYS 21 2HE LYS 21 -4.306 -3.962 -5.280 170 2HE LYS 21 1HE LYS 21 -2.883 -4.992 -5.428 171 1HZ LYS 21 1HZ LYS 21 -5.349 -5.669 -3.920 172 2HZ LYS 21 2HZ LYS 21 -3.994 -6.671 -4.097 173 3HZ LYS 21 3HZ LYS 21 -4.944 -6.279 -5.450 174 H CYS 22 H CYS 22 0.537 -0.391 -1.768 175 HA CYS 22 HA CYS 22 0.152 -0.244 1.114 176 1HB CYS 22 2HB CYS 22 2.523 0.440 1.464 177 2HB CYS 22 1HB CYS 22 2.336 -1.241 0.988 178 HG CYS 22 HG CYS 22 3.334 1.308 -1.067 179 H VAL 23 H VAL 23 0.472 1.879 1.982 180 HA VAL 23 HA VAL 23 -0.029 3.955 -0.050 181 HB VAL 23 HB VAL 23 -0.877 3.957 2.852 182 1HG1 VAL 23 1HG1 VAL 23 -0.629 6.185 1.939 183 2HG1 VAL 23 2HG1 VAL 23 -2.338 5.812 2.172 184 3HG1 VAL 23 3HG1 VAL 23 -1.635 5.753 0.555 185 1HG2 VAL 23 1HG2 VAL 23 -2.042 2.189 1.662 186 2HG2 VAL 23 2HG2 VAL 23 -2.510 3.326 0.399 187 3HG2 VAL 23 3HG2 VAL 23 -3.143 3.514 2.034 188 H ILE 24 H ILE 24 1.334 5.661 -0.132 189 HA ILE 24 HA ILE 24 3.565 5.835 1.684 190 HB ILE 24 HB ILE 24 2.691 7.766 -0.487 191 1HG1 ILE 24 2HG1 ILE 24 4.842 6.787 -1.582 192 2HG1 ILE 24 1HG1 ILE 24 4.608 5.447 -0.465 193 1HG2 ILE 24 1HG2 ILE 24 5.291 7.635 1.031 194 2HG2 ILE 24 2HG2 ILE 24 4.030 8.851 1.244 195 3HG2 ILE 24 3HG2 ILE 24 4.910 8.749 -0.282 196 1HD1 ILE 24 1HD1 ILE 24 3.677 4.974 -2.656 197 2HD1 ILE 24 2HD1 ILE 24 2.627 6.384 -2.523 198 3HD1 ILE 24 3HD1 ILE 24 2.417 5.023 -1.423 199 H VAL 25 H VAL 25 3.339 6.686 3.650 200 HA VAL 25 HA VAL 25 1.064 8.470 4.107 201 HB VAL 25 HB VAL 25 1.166 6.432 5.473 202 1HG1 VAL 25 1HG1 VAL 25 3.579 6.172 5.630 203 2HG1 VAL 25 2HG1 VAL 25 2.836 6.181 7.229 204 3HG1 VAL 25 3HG1 VAL 25 3.678 7.614 6.641 205 1HG2 VAL 25 1HG2 VAL 25 0.755 7.475 7.643 206 2HG2 VAL 25 2HG2 VAL 25 0.030 8.420 6.342 207 3HG2 VAL 25 3HG2 VAL 25 1.534 8.957 7.088 208 H ASP 26 H ASP 26 4.554 8.419 4.229 209 HA ASP 26 HA ASP 26 4.528 11.258 4.865 210 1HB ASP 26 2HB ASP 26 4.714 10.080 7.052 211 2HB ASP 26 1HB ASP 26 6.190 9.312 6.476 212 H ILE 27 H ILE 27 6.308 12.374 4.108 213 HA ILE 27 HA ILE 27 7.977 10.874 2.217 214 HB ILE 27 HB ILE 27 7.471 13.855 2.313 215 1HG1 ILE 27 2HG1 ILE 27 5.422 12.613 1.752 216 2HG1 ILE 27 1HG1 ILE 27 6.025 13.514 0.366 217 1HG2 ILE 27 1HG2 ILE 27 8.795 12.139 0.214 218 2HG2 ILE 27 2HG2 ILE 27 9.607 13.275 1.294 219 3HG2 ILE 27 3HG2 ILE 27 8.475 13.868 0.078 220 1HD1 ILE 27 1HD1 ILE 27 6.986 11.453 -0.543 221 2HD1 ILE 27 2HD1 ILE 27 5.244 11.319 -0.294 222 3HD1 ILE 27 3HD1 ILE 27 6.357 10.559 0.843 223 H ILE 28 H ILE 28 9.491 10.165 3.761 224 HA ILE 28 HA ILE 28 10.963 11.954 5.418 225 HB ILE 28 HB ILE 28 11.814 9.221 4.440 226 1HG1 ILE 28 2HG1 ILE 28 10.294 9.941 6.960 227 2HG1 ILE 28 1HG1 ILE 28 9.581 9.192 5.535 228 1HG2 ILE 28 1HG2 ILE 28 13.166 9.191 6.499 229 2HG2 ILE 28 2HG2 ILE 28 12.654 10.844 6.841 230 3HG2 ILE 28 3HG2 ILE 28 13.631 10.502 5.412 231 1HD1 ILE 28 1HD1 ILE 28 11.016 7.241 5.848 232 2HD1 ILE 28 2HD1 ILE 28 10.013 7.552 7.265 233 3HD1 ILE 28 3HD1 ILE 28 11.723 7.995 7.279 234 H ASP 29 H ASP 29 11.603 10.351 2.334 235 HA ASP 29 HA ASP 29 13.424 12.523 1.612 236 1HB ASP 29 2HB ASP 29 14.863 10.716 2.353 237 2HB ASP 29 1HB ASP 29 14.024 9.563 1.332 238 H ASP 30 H ASP 30 13.926 12.238 -0.853 239 HA ASP 30 HA ASP 30 11.299 12.289 -2.074 240 1HB ASP 30 2HB ASP 30 12.323 13.366 -3.926 241 2HB ASP 30 1HB ASP 30 13.084 14.031 -2.491 242 H ASN 31 H ASN 31 13.911 10.087 -1.847 243 HA ASN 31 HA ASN 31 12.641 8.416 -3.922 244 1HB ASN 31 2HB ASN 31 14.978 9.414 -4.426 245 2HB ASN 31 1HB ASN 31 15.574 8.247 -3.254 246 1HD2 ASN 31 1HD2 ASN 31 13.899 8.631 -6.308 247 2HD2 ASN 31 2HD2 ASN 31 14.267 7.054 -6.921 248 H PHE 32 H PHE 32 13.516 8.777 -0.703 249 HA PHE 32 HA PHE 32 12.931 5.937 -0.185 250 1HB PHE 32 2HB PHE 32 14.652 7.848 1.414 251 2HB PHE 32 1HB PHE 32 14.152 6.262 1.981 252 HD1 PHE 32 HD2 PHE 32 16.209 8.050 -0.488 253 HD2 PHE 32 HD1 PHE 32 15.211 4.279 1.209 254 HE1 PHE 32 HE2 PHE 32 18.168 7.042 -1.581 255 HE2 PHE 32 HE1 PHE 32 17.173 3.264 0.123 256 HZ PHE 32 HZ PHE 32 18.654 4.649 -1.276 257 H VAL 33 H VAL 33 10.781 5.957 0.269 258 HA VAL 33 HA VAL 33 9.769 8.106 2.013 259 HB VAL 33 HB VAL 33 7.534 7.656 1.050 260 1HG1 VAL 33 1HG1 VAL 33 7.950 8.708 -1.122 261 2HG1 VAL 33 2HG1 VAL 33 9.668 8.349 -0.961 262 3HG1 VAL 33 3HG1 VAL 33 8.890 9.461 0.165 263 1HG2 VAL 33 1HG2 VAL 33 7.356 6.337 -1.012 264 2HG2 VAL 33 2HG2 VAL 33 7.847 5.349 0.364 265 3HG2 VAL 33 3HG2 VAL 33 9.042 5.847 -0.836 266 H LEU 34 H LEU 34 7.768 7.444 3.274 267 HA LEU 34 HA LEU 34 8.271 4.813 4.485 268 1HB LEU 34 2HB LEU 34 8.323 7.029 5.826 269 2HB LEU 34 1HB LEU 34 6.581 7.012 5.665 270 HG LEU 34 HG LEU 34 7.415 6.150 7.846 271 1HD1 LEU 34 1HD1 LEU 34 5.220 5.483 7.061 272 2HD1 LEU 34 2HD1 LEU 34 6.001 4.160 7.929 273 3HD1 LEU 34 3HD1 LEU 34 5.930 4.140 6.167 274 1HD2 LEU 34 1HD2 LEU 34 9.445 5.078 7.111 275 2HD2 LEU 34 2HD2 LEU 34 8.520 3.923 6.148 276 3HD2 LEU 34 3HD2 LEU 34 8.403 3.900 7.910 277 H VAL 35 H VAL 35 6.940 3.259 3.851 278 HA VAL 35 HA VAL 35 4.230 4.009 2.992 279 HB VAL 35 HB VAL 35 4.183 1.924 1.685 280 1HG1 VAL 35 1HG1 VAL 35 6.506 3.745 1.065 281 2HG1 VAL 35 2HG1 VAL 35 4.826 3.971 0.574 282 3HG1 VAL 35 3HG1 VAL 35 5.761 2.624 -0.077 283 1HG2 VAL 35 1HG2 VAL 35 5.750 0.588 2.968 284 2HG2 VAL 35 2HG2 VAL 35 7.073 1.661 2.515 285 3HG2 VAL 35 3HG2 VAL 35 6.272 0.678 1.288 286 H THR 36 H THR 36 2.497 2.928 3.784 287 HA THR 36 HA THR 36 2.970 0.752 5.688 288 HB THR 36 HB THR 36 2.700 2.843 6.999 289 HG1 THR 36 HG1 THR 36 0.321 1.386 7.404 290 1HG2 THR 36 1HG2 THR 36 -0.051 2.938 5.746 291 2HG2 THR 36 2HG2 THR 36 1.259 4.082 5.456 292 3HG2 THR 36 3HG2 THR 36 0.525 3.973 7.055 293 HN2 GLY 37 H GLY 37 1.111 -0.604 6.010 294 1HA GLY 37 2HA GLY 37 -0.958 -0.273 3.933 295 2HA GLY 37 1HA GLY 37 -0.221 -1.838 4.264 296 HA PRO 38 HA PRO 38 -4.058 -1.134 6.977 297 1HB PRO 38 2HB PRO 38 -4.853 -3.669 5.668 298 2HB PRO 38 1HB PRO 38 -5.816 -2.223 5.997 299 1HG PRO 38 2HG PRO 38 -5.024 -2.819 3.516 300 2HG PRO 38 1HG PRO 38 -5.082 -1.140 4.088 301 1HD PRO 38 2HD PRO 38 -2.718 -2.952 3.767 302 2HD PRO 38 1HD PRO 38 -2.868 -1.221 3.401 303 H LYS 39 H LYS 39 -3.157 -1.644 8.862 304 HA LYS 39 HA LYS 39 -1.578 -3.934 9.382 305 1HB LYS 39 2HB LYS 39 -1.212 -2.017 10.728 306 2HB LYS 39 1HB LYS 39 -2.915 -1.878 11.135 307 1HG LYS 39 2HG LYS 39 -1.749 -2.649 13.058 308 2HG LYS 39 1HG LYS 39 -2.711 -3.986 12.437 309 1HD LYS 39 2HD LYS 39 -0.731 -4.947 11.395 310 2HD LYS 39 1HD LYS 39 0.241 -3.584 11.958 311 1HE LYS 39 2HE LYS 39 -0.308 -4.182 14.280 312 2HE LYS 39 1HE LYS 39 -1.224 -5.567 13.696 313 1HZ LYS 39 1HZ LYS 39 1.031 -6.127 14.464 314 2HZ LYS 39 2HZ LYS 39 1.685 -5.161 13.235 315 3HZ LYS 39 3HZ LYS 39 0.778 -6.541 12.839 316 H ASP 40 H ASP 40 -4.944 -3.119 10.041 317 HA ASP 40 HA ASP 40 -5.450 -5.619 11.381 318 1HB ASP 40 2HB ASP 40 -6.679 -3.656 12.084 319 2HB ASP 40 1HB ASP 40 -7.299 -3.418 10.454 320 H ILE 41 H ILE 41 -6.171 -4.212 8.224 321 HA ILE 41 HA ILE 41 -7.896 -6.365 7.459 322 HB ILE 41 HB ILE 41 -6.736 -4.147 5.768 323 1HG1 ILE 41 2HG1 ILE 41 -9.442 -4.391 7.105 324 2HG1 ILE 41 1HG1 ILE 41 -8.123 -3.377 7.678 325 1HG2 ILE 41 1HG2 ILE 41 -8.534 -4.668 4.196 326 2HG2 ILE 41 2HG2 ILE 41 -9.048 -6.007 5.223 327 3HG2 ILE 41 3HG2 ILE 41 -7.473 -6.059 4.431 328 1HD1 ILE 41 1HD1 ILE 41 -8.233 -2.084 5.613 329 2HD1 ILE 41 2HD1 ILE 41 -9.768 -2.071 6.479 330 3HD1 ILE 41 3HD1 ILE 41 -9.567 -3.092 5.055 331 H THR 42 H THR 42 -4.770 -5.239 6.093 332 HA THR 42 HA THR 42 -4.545 -7.786 4.698 333 HB THR 42 HB THR 42 -2.636 -5.453 4.542 334 HG1 THR 42 HG1 THR 42 -4.275 -5.592 2.426 335 1HG2 THR 42 1HG2 THR 42 -1.815 -7.577 3.627 336 2HG2 THR 42 2HG2 THR 42 -2.094 -6.395 2.349 337 3HG2 THR 42 3HG2 THR 42 -3.253 -7.698 2.614 338 HN2 GLY 43 H GLY 43 -2.887 -5.928 7.194 339 1HA GLY 43 2HA GLY 43 -1.578 -6.844 8.922 340 2HA GLY 43 1HA GLY 43 -1.448 -8.339 8.002 341 H VAL 44 H VAL 44 -0.807 -5.053 6.900 342 HA VAL 44 HA VAL 44 1.807 -5.904 5.964 343 HB VAL 44 HB VAL 44 0.435 -3.229 5.630 344 1HG1 VAL 44 1HG1 VAL 44 2.062 -2.856 3.837 345 2HG1 VAL 44 2HG1 VAL 44 2.840 -4.393 4.223 346 3HG1 VAL 44 3HG1 VAL 44 2.858 -3.076 5.397 347 1HG2 VAL 44 1HG2 VAL 44 0.621 -5.569 3.738 348 2HG2 VAL 44 2HG2 VAL 44 -0.061 -3.988 3.357 349 3HG2 VAL 44 3HG2 VAL 44 -0.830 -5.011 4.570 350 H LYS 45 H LYS 45 3.683 -5.390 6.879 351 HA LYS 45 HA LYS 45 3.631 -3.810 9.336 352 1HB LYS 45 2HB LYS 45 5.833 -5.565 8.213 353 2HB LYS 45 1HB LYS 45 5.784 -4.852 9.821 354 1HG LYS 45 2HG LYS 45 3.906 -6.213 10.435 355 2HG LYS 45 1HG LYS 45 3.754 -6.816 8.788 356 1HD LYS 45 2HD LYS 45 5.988 -7.865 9.011 357 2HD LYS 45 1HD LYS 45 6.037 -7.333 10.696 358 1HE LYS 45 2HE LYS 45 4.024 -8.633 11.169 359 2HE LYS 45 1HE LYS 45 3.945 -9.140 9.486 360 1HZ LYS 45 1HZ LYS 45 6.045 -10.301 9.762 361 2HZ LYS 45 2HZ LYS 45 4.905 -10.849 10.892 362 3HZ LYS 45 3HZ LYS 45 6.139 -9.798 11.382 363 H ARG 46 H ARG 46 4.271 -1.760 9.282 364 HA ARG 46 HA ARG 46 5.141 -0.618 6.834 365 1HB ARG 46 2HB ARG 46 5.231 1.526 8.182 366 2HB ARG 46 1HB ARG 46 3.678 0.716 8.107 367 1HG ARG 46 2HG ARG 46 3.773 1.287 10.321 368 2HG ARG 46 1HG ARG 46 4.441 -0.344 10.368 369 1HD ARG 46 2HD ARG 46 6.694 0.541 10.435 370 2HD ARG 46 1HD ARG 46 6.083 2.187 10.261 371 HE ARG 46 HE ARG 46 5.047 0.772 12.551 372 1HH1 ARG 46 1HH1 ARG 46 7.615 2.812 11.351 373 2HH1 ARG 46 2HH1 ARG 46 8.047 3.428 12.917 374 1HH2 ARG 46 1HH2 ARG 46 5.601 1.554 14.613 375 2HH2 ARG 46 2HH2 ARG 46 6.910 2.694 14.784 376 H ARG 47 H ARG 47 7.027 0.255 6.215 377 HA ARG 47 HA ARG 47 9.330 0.410 7.933 378 1HB ARG 47 2HB ARG 47 8.979 -2.068 7.079 379 2HB ARG 47 1HB ARG 47 9.634 -1.428 5.580 380 1HG ARG 47 2HG ARG 47 11.674 -0.771 6.713 381 2HG ARG 47 1HG ARG 47 11.015 -1.321 8.255 382 1HD ARG 47 2HD ARG 47 10.775 -3.609 7.174 383 2HD ARG 47 1HD ARG 47 11.753 -2.978 5.851 384 HE ARG 47 HE ARG 47 13.011 -2.576 8.378 385 1HH1 ARG 47 1HH1 ARG 47 12.426 -4.987 5.900 386 2HH1 ARG 47 2HH1 ARG 47 13.796 -5.964 6.344 387 1HH2 ARG 47 1HH2 ARG 47 14.792 -3.859 8.973 388 2HH2 ARG 47 2HH2 ARG 47 15.147 -5.316 8.092 389 H ARG 48 H ARG 48 11.161 1.424 6.727 390 HA ARG 48 HA ARG 48 10.122 3.192 4.689 391 1HB ARG 48 2HB ARG 48 12.103 4.460 4.920 392 2HB ARG 48 1HB ARG 48 11.683 3.938 6.542 393 1HG ARG 48 2HG ARG 48 13.373 2.126 6.334 394 2HG ARG 48 1HG ARG 48 13.845 2.811 4.777 395 1HD ARG 48 2HD ARG 48 14.128 5.014 6.088 396 2HD ARG 48 1HD ARG 48 14.132 3.988 7.520 397 HE ARG 48 HE ARG 48 16.086 3.753 5.318 398 1HH1 ARG 48 1HH1 ARG 48 15.253 3.476 8.710 399 2HH1 ARG 48 2HH1 ARG 48 16.895 3.197 9.208 400 1HH2 ARG 48 1HH2 ARG 48 18.236 3.396 5.982 401 2HH2 ARG 48 2HH2 ARG 48 18.578 3.147 7.672 402 H VAL 49 H VAL 49 10.582 3.140 2.528 403 HA VAL 49 HA VAL 49 12.188 0.840 1.627 404 HB VAL 49 HB VAL 49 10.578 0.475 -0.200 405 1HG1 VAL 49 1HG1 VAL 49 9.365 0.327 2.554 406 2HG1 VAL 49 2HG1 VAL 49 10.413 -0.878 1.807 407 3HG1 VAL 49 3HG1 VAL 49 8.812 -0.566 1.137 408 1HG2 VAL 49 1HG2 VAL 49 9.622 2.706 -0.340 409 2HG2 VAL 49 2HG2 VAL 49 8.880 2.504 1.248 410 3HG2 VAL 49 3HG2 VAL 49 8.355 1.499 -0.105 411 H ASN 50 H ASN 50 12.733 0.956 -0.705 412 HA ASN 50 HA ASN 50 13.407 3.716 -1.466 413 1HB ASN 50 2HB ASN 50 15.331 2.186 -1.124 414 2HB ASN 50 1HB ASN 50 14.678 1.110 -2.356 415 1HD2 ASN 50 1HD2 ASN 50 14.625 4.612 -2.524 416 2HD2 ASN 50 2HD2 ASN 50 15.702 4.746 -3.870 417 H ILE 51 H ILE 51 12.613 4.523 -3.336 418 HA ILE 51 HA ILE 51 10.524 3.072 -4.657 419 HB ILE 51 HB ILE 51 11.700 5.728 -5.468 420 1HG1 ILE 51 2HG1 ILE 51 9.368 5.199 -3.611 421 2HG1 ILE 51 1HG1 ILE 51 10.972 5.695 -3.080 422 1HG2 ILE 51 1HG2 ILE 51 9.499 6.103 -6.481 423 2HG2 ILE 51 2HG2 ILE 51 8.994 4.493 -5.974 424 3HG2 ILE 51 3HG2 ILE 51 10.286 4.678 -7.157 425 1HD1 ILE 51 1HD1 ILE 51 9.138 7.293 -4.854 426 2HD1 ILE 51 2HD1 ILE 51 10.730 7.793 -4.280 427 3HD1 ILE 51 3HD1 ILE 51 9.412 7.564 -3.133 428 H LEU 52 H LEU 52 11.699 1.323 -5.493 429 HA LEU 52 HA LEU 52 13.254 1.968 -7.912 430 1HB LEU 52 2HB LEU 52 14.329 0.745 -5.843 431 2HB LEU 52 1HB LEU 52 13.511 -0.659 -6.495 432 HG LEU 52 HG LEU 52 15.520 1.004 -8.030 433 1HD1 LEU 52 1HD1 LEU 52 15.858 -1.630 -6.606 434 2HD1 LEU 52 2HD1 LEU 52 16.589 -0.093 -6.149 435 3HD1 LEU 52 3HD1 LEU 52 17.051 -0.873 -7.662 436 1HD2 LEU 52 1HD2 LEU 52 15.548 -0.884 -9.576 437 2HD2 LEU 52 2HD2 LEU 52 13.935 -0.178 -9.464 438 3HD2 LEU 52 3HD2 LEU 52 14.299 -1.687 -8.630 439 H HIS 53 H HIS 53 11.459 -0.825 -6.561 440 HA HIS 53 HA HIS 53 10.313 -1.228 -9.244 441 1HB HIS 53 2HB HIS 53 11.053 -3.172 -7.079 442 2HB HIS 53 1HB HIS 53 9.857 -3.605 -8.296 443 HD1 HIS 53 HD1 HIS 53 13.228 -4.211 -7.690 444 HD2 HIS 53 HD2 HIS 53 11.173 -2.812 -11.031 445 HE1 HIS 53 HE1 HIS 53 14.728 -4.667 -9.652 446 HE2 HIS 53 HE2 HIS 53 13.528 -3.694 -11.643 447 H LEU 54 H LEU 54 9.088 0.658 -7.843 448 HA LEU 54 HA LEU 54 6.648 -0.620 -6.806 449 1HB LEU 54 2HB LEU 54 7.830 2.109 -6.315 450 2HB LEU 54 1HB LEU 54 6.157 1.747 -5.948 451 HG LEU 54 HG LEU 54 7.012 -0.100 -4.430 452 1HD1 LEU 54 1HD1 LEU 54 9.306 0.091 -3.625 453 2HD1 LEU 54 2HD1 LEU 54 9.624 1.359 -4.809 454 3HD1 LEU 54 3HD1 LEU 54 9.268 -0.281 -5.349 455 1HD2 LEU 54 1HD2 LEU 54 7.763 2.745 -3.766 456 2HD2 LEU 54 2HD2 LEU 54 7.484 1.446 -2.607 457 3HD2 LEU 54 3HD2 LEU 54 6.158 2.036 -3.604 458 H GLU 55 H GLU 55 4.815 -0.416 -7.924 459 HA GLU 55 HA GLU 55 4.784 1.466 -10.194 460 1HB GLU 55 2HB GLU 55 4.712 -1.282 -10.322 461 2HB GLU 55 1HB GLU 55 3.004 -0.873 -10.349 462 1HG GLU 55 2HG GLU 55 5.016 0.343 -12.220 463 2HG GLU 55 1HG GLU 55 4.123 -1.131 -12.584 464 HA PRO 56 HA PRO 56 1.310 3.181 -7.881 465 1HB PRO 56 2HB PRO 56 0.987 4.709 -10.397 466 2HB PRO 56 1HB PRO 56 1.150 5.296 -8.740 467 1HG PRO 56 2HG PRO 56 3.157 5.536 -10.480 468 2HG PRO 56 1HG PRO 56 3.463 5.152 -8.776 469 1HD PRO 56 2HD PRO 56 3.465 3.335 -11.158 470 2HD PRO 56 1HD PRO 56 4.570 3.373 -9.769 471 H THR 57 H THR 57 -0.739 2.478 -7.819 472 HA THR 57 HA THR 57 -1.693 0.857 -10.034 473 HB THR 57 HB THR 57 -3.521 0.200 -8.504 474 HG1 THR 57 HG1 THR 57 -2.269 2.112 -6.817 475 1HG2 THR 57 1HG2 THR 57 -2.149 -1.020 -6.888 476 2HG2 THR 57 2HG2 THR 57 -0.774 0.018 -7.265 477 3HG2 THR 57 3HG2 THR 57 -1.425 -1.064 -8.497 478 H ASP 58 H ASP 58 -4.379 1.060 -9.939 479 HA ASP 58 HA ASP 58 -4.838 3.560 -11.298 480 1HB ASP 58 2HB ASP 58 -5.825 1.561 -12.226 481 2HB ASP 58 1HB ASP 58 -6.637 1.200 -10.708 482 H LYS 59 H LYS 59 -5.420 2.276 -8.141 483 HA LYS 59 HA LYS 59 -7.450 4.285 -7.559 484 1HB LYS 59 2HB LYS 59 -6.589 1.753 -6.255 485 2HB LYS 59 1HB LYS 59 -7.278 3.005 -5.230 486 1HG LYS 59 2HG LYS 59 -8.976 1.420 -5.946 487 2HG LYS 59 1HG LYS 59 -9.297 3.029 -6.592 488 1HD LYS 59 2HD LYS 59 -8.243 2.321 -8.728 489 2HD LYS 59 1HD LYS 59 -8.092 0.691 -8.068 490 1HE LYS 59 2HE LYS 59 -10.491 0.515 -7.853 491 2HE LYS 59 1HE LYS 59 -10.690 2.189 -8.375 492 1HZ LYS 59 1HZ LYS 59 -11.138 0.769 -10.213 493 2HZ LYS 59 2HZ LYS 59 -9.685 -0.080 -10.003 494 3HZ LYS 59 3HZ LYS 59 -9.653 1.537 -10.512 495 H LYS 60 H LYS 60 -7.355 5.551 -5.653 496 HA LYS 60 HA LYS 60 -4.911 5.934 -4.221 497 1HB LYS 60 2HB LYS 60 -4.231 7.202 -6.130 498 2HB LYS 60 1HB LYS 60 -5.807 7.964 -6.275 499 1HG LYS 60 2HG LYS 60 -4.324 8.444 -3.758 500 2HG LYS 60 1HG LYS 60 -3.682 9.188 -5.225 501 1HD LYS 60 2HD LYS 60 -5.742 10.334 -5.630 502 2HD LYS 60 1HD LYS 60 -6.553 9.442 -4.343 503 1HE LYS 60 2HE LYS 60 -5.123 10.517 -2.684 504 2HE LYS 60 1HE LYS 60 -4.277 11.384 -3.967 505 1HZ LYS 60 1HZ LYS 60 -6.084 12.644 -2.762 506 2HZ LYS 60 2HZ LYS 60 -7.199 11.636 -3.552 507 3HZ LYS 60 3HZ LYS 60 -6.174 12.640 -4.456 508 H ILE 61 H ILE 61 -5.519 6.434 -2.203 509 HA ILE 61 HA ILE 61 -8.223 7.466 -1.802 510 HB ILE 61 HB ILE 61 -7.838 6.985 0.602 511 1HG1 ILE 61 2HG1 ILE 61 -5.263 5.716 -0.368 512 2HG1 ILE 61 1HG1 ILE 61 -5.371 7.182 0.598 513 1HG2 ILE 61 1HG2 ILE 61 -7.964 4.539 0.380 514 2HG2 ILE 61 2HG2 ILE 61 -7.410 4.677 -1.290 515 3HG2 ILE 61 3HG2 ILE 61 -8.961 5.370 -0.815 516 1HD1 ILE 61 1HD1 ILE 61 -4.791 5.275 1.972 517 2HD1 ILE 61 2HD1 ILE 61 -6.249 4.435 1.447 518 3HD1 ILE 61 3HD1 ILE 61 -6.379 5.900 2.421 519 H ASP 62 H ASP 62 -8.651 9.423 -0.851 520 HA ASP 62 HA ASP 62 -6.415 11.284 -0.896 521 1HB ASP 62 2HB ASP 62 -8.560 11.832 -2.055 522 2HB ASP 62 1HB ASP 62 -9.346 11.891 -0.479 523 H ILE 63 H ILE 63 -5.269 11.132 0.923 524 HA ILE 63 HA ILE 63 -6.705 11.560 3.454 525 HB ILE 63 HB ILE 63 -4.986 10.202 4.604 526 1HG1 ILE 63 2HG1 ILE 63 -4.152 9.377 1.814 527 2HG1 ILE 63 1HG1 ILE 63 -3.219 10.437 2.871 528 1HG2 ILE 63 1HG2 ILE 63 -6.530 8.766 2.452 529 2HG2 ILE 63 2HG2 ILE 63 -7.118 9.196 4.057 530 3HG2 ILE 63 3HG2 ILE 63 -5.830 8.005 3.879 531 1HD1 ILE 63 1HD1 ILE 63 -3.924 7.559 3.418 532 2HD1 ILE 63 2HD1 ILE 63 -2.980 8.613 4.474 533 3HD1 ILE 63 3HD1 ILE 63 -2.356 8.167 2.887 534 H GLN 64 H GLN 64 -4.754 11.967 5.164 535 HA GLN 64 HA GLN 64 -3.344 14.336 4.150 536 1HB GLN 64 2HB GLN 64 -4.019 13.508 6.986 537 2HB GLN 64 1HB GLN 64 -3.249 15.016 6.513 538 1HG GLN 64 2HG GLN 64 -5.194 15.851 5.545 539 2HG GLN 64 1HG GLN 64 -5.947 14.258 5.465 540 1HE2 GLN 64 1HE2 GLN 64 -6.878 13.387 7.306 541 2HE2 GLN 64 2HE2 GLN 64 -7.229 14.332 8.712 542 H LYS 65 H LYS 65 -1.139 14.702 5.181 543 HA LYS 65 HA LYS 65 0.399 12.274 4.991 544 1HB LYS 65 2HB LYS 65 1.175 14.542 4.167 545 2HB LYS 65 1HB LYS 65 1.430 14.980 5.852 546 1HG LYS 65 2HG LYS 65 2.884 12.860 5.964 547 2HG LYS 65 1HG LYS 65 2.863 12.929 4.203 548 1HD LYS 65 2HD LYS 65 4.841 14.030 4.994 549 2HD LYS 65 1HD LYS 65 3.742 15.249 4.344 550 1HE LYS 65 2HE LYS 65 4.796 15.933 6.476 551 2HE LYS 65 1HE LYS 65 3.038 15.874 6.561 552 1HZ LYS 65 1HZ LYS 65 4.147 14.892 8.514 553 2HZ LYS 65 2HZ LYS 65 4.842 13.704 7.515 554 3HZ LYS 65 3HZ LYS 65 3.159 13.781 7.701 555 HN2 GLY 66 H GLY 66 -1.021 11.494 6.846 556 1HA GLY 66 2HA GLY 66 0.445 10.910 9.080 557 2HA GLY 66 1HA GLY 66 -0.393 12.401 9.493 558 H ALA 67 H ALA 67 -1.368 9.566 7.608 559 HA ALA 67 HA ALA 67 -3.664 9.256 9.425 560 1HB ALA 67 1HB ALA 67 -3.624 8.763 6.444 561 2HB ALA 67 2HB ALA 67 -4.343 10.161 7.242 562 3HB ALA 67 3HB ALA 67 -5.007 8.552 7.518 563 H SER 68 H SER 68 -3.675 7.379 10.455 564 HA SER 68 HA SER 68 -1.836 5.291 9.590 565 1HB SER 68 2HB SER 68 -3.482 5.472 12.126 566 2HB SER 68 1HB SER 68 -2.142 4.369 11.816 567 HG SER 68 HG SER 68 -2.102 6.965 12.643 568 H ASP 69 H ASP 69 -2.873 3.022 10.514 569 HA ASP 69 HA ASP 69 -4.544 2.064 8.530 570 1HB ASP 69 2HB ASP 69 -3.197 0.566 9.841 571 2HB ASP 69 1HB ASP 69 -4.010 1.047 11.324 572 H GLU 70 H GLU 70 -5.388 3.735 11.438 573 HA GLU 70 HA GLU 70 -8.080 2.859 11.645 574 1HB GLU 70 2HB GLU 70 -6.478 4.099 13.330 575 2HB GLU 70 1HB GLU 70 -7.176 5.543 12.616 576 1HG GLU 70 2HG GLU 70 -8.950 3.385 13.658 577 2HG GLU 70 1HG GLU 70 -8.192 4.527 14.765 578 H GLU 71 H GLU 71 -6.627 5.837 10.294 579 HA GLU 71 HA GLU 71 -9.134 6.816 9.307 580 1HB GLU 71 2HB GLU 71 -7.226 8.297 9.898 581 2HB GLU 71 1HB GLU 71 -6.331 7.651 8.531 582 1HG GLU 71 2HG GLU 71 -7.296 9.822 8.011 583 2HG GLU 71 1HG GLU 71 -7.991 8.561 6.993 584 H VAL 72 H VAL 72 -6.444 5.020 7.899 585 HA VAL 72 HA VAL 72 -7.270 5.085 5.223 586 HB VAL 72 HB VAL 72 -5.835 2.865 6.704 587 1HG1 VAL 72 1HG1 VAL 72 -6.116 3.356 3.740 588 2HG1 VAL 72 2HG1 VAL 72 -6.791 2.004 4.652 589 3HG1 VAL 72 3HG1 VAL 72 -5.041 2.166 4.474 590 1HG2 VAL 72 1HG2 VAL 72 -3.811 3.840 5.736 591 2HG2 VAL 72 2HG2 VAL 72 -4.646 4.990 6.777 592 3HG2 VAL 72 3HG2 VAL 72 -4.772 5.136 5.024 593 H LYS 73 H LYS 73 -8.244 3.053 7.920 594 HA LYS 73 HA LYS 73 -9.801 1.202 6.472 595 1HB LYS 73 2HB LYS 73 -8.978 1.029 8.879 596 2HB LYS 73 1HB LYS 73 -10.330 2.062 9.310 597 1HG LYS 73 2HG LYS 73 -11.899 0.429 8.493 598 2HG LYS 73 1HG LYS 73 -10.582 -0.589 7.909 599 1HD LYS 73 2HD LYS 73 -11.024 0.155 10.802 600 2HD LYS 73 1HD LYS 73 -11.567 -1.351 10.065 601 1HE LYS 73 2HE LYS 73 -9.546 -1.904 11.119 602 2HE LYS 73 1HE LYS 73 -9.127 -1.722 9.418 603 1HZ LYS 73 1HZ LYS 73 -8.692 0.319 11.535 604 2HZ LYS 73 2HZ LYS 73 -8.295 0.504 9.904 605 3HZ LYS 73 3HZ LYS 73 -7.491 -0.653 10.842 606 H LYS 74 H LYS 74 -10.573 4.302 8.000 607 HA LYS 74 HA LYS 74 -13.337 4.315 7.550 608 1HB LYS 74 2HB LYS 74 -11.459 6.680 7.420 609 2HB LYS 74 1HB LYS 74 -13.203 6.772 7.570 610 1HG LYS 74 2HG LYS 74 -12.912 5.492 9.753 611 2HG LYS 74 1HG LYS 74 -11.192 5.881 9.602 612 1HD LYS 74 2HD LYS 74 -11.885 8.288 9.307 613 2HD LYS 74 1HD LYS 74 -13.512 7.795 9.769 614 1HE LYS 74 2HE LYS 74 -12.455 8.658 11.712 615 2HE LYS 74 1HE LYS 74 -12.529 6.906 11.898 616 1HZ LYS 74 1HZ LYS 74 -10.363 8.018 12.487 617 2HZ LYS 74 2HZ LYS 74 -10.136 8.279 10.823 618 3HZ LYS 74 3HZ LYS 74 -10.265 6.697 11.432 619 H LYS 75 H LYS 75 -10.695 5.584 5.559 620 HA LYS 75 HA LYS 75 -12.269 6.493 3.422 621 1HB LYS 75 2HB LYS 75 -9.437 5.453 3.245 622 2HB LYS 75 1HB LYS 75 -10.226 6.540 2.115 623 1HG LYS 75 2HG LYS 75 -9.581 7.179 4.988 624 2HG LYS 75 1HG LYS 75 -8.647 7.694 3.587 625 1HD LYS 75 2HD LYS 75 -9.948 9.560 4.074 626 2HD LYS 75 1HD LYS 75 -10.854 8.769 2.786 627 1HE LYS 75 2HE LYS 75 -12.348 7.770 4.424 628 2HE LYS 75 1HE LYS 75 -11.417 8.485 5.737 629 1HZ LYS 75 1HZ LYS 75 -12.792 10.069 3.637 630 2HZ LYS 75 2HZ LYS 75 -12.076 10.650 5.060 631 3HZ LYS 75 3HZ LYS 75 -13.477 9.700 5.142 632 H LEU 76 H LEU 76 -10.675 3.358 3.909 633 HA LEU 76 HA LEU 76 -11.372 2.182 1.467 634 1HB LEU 76 2HB LEU 76 -10.463 1.258 4.096 635 2HB LEU 76 1HB LEU 76 -11.422 0.083 3.219 636 HG LEU 76 HG LEU 76 -9.872 0.194 1.331 637 1HD1 LEU 76 1HD1 LEU 76 -7.756 1.395 1.528 638 2HD1 LEU 76 2HD1 LEU 76 -8.291 2.094 3.056 639 3HD1 LEU 76 3HD1 LEU 76 -9.130 2.499 1.558 640 1HD2 LEU 76 1HD2 LEU 76 -7.974 -0.890 2.425 641 2HD2 LEU 76 2HD2 LEU 76 -9.509 -1.446 3.088 642 3HD2 LEU 76 3HD2 LEU 76 -8.529 -0.288 3.984 643 H GLU 77 H GLU 77 -13.137 2.410 4.506 644 HA GLU 77 HA GLU 77 -15.269 0.698 3.816 645 1HB GLU 77 2HB GLU 77 -14.727 1.459 6.124 646 2HB GLU 77 1HB GLU 77 -15.305 3.062 5.701 647 1HG GLU 77 2HG GLU 77 -17.530 2.189 5.315 648 2HG GLU 77 1HG GLU 77 -16.967 0.556 5.671 649 H GLU 78 H GLU 78 -14.952 4.232 3.689 650 HA GLU 78 HA GLU 78 -17.444 4.852 2.612 651 1HB GLU 78 2HB GLU 78 -14.769 6.206 2.315 652 2HB GLU 78 1HB GLU 78 -16.243 6.883 1.641 653 1HG GLU 78 2HG GLU 78 -17.214 6.950 3.901 654 2HG GLU 78 1HG GLU 78 -15.697 6.331 4.548 655 H SER 79 H SER 79 -14.434 4.009 0.937 656 HA SER 79 HA SER 79 -15.656 4.350 -1.653 657 1HB SER 79 2HB SER 79 -12.925 3.286 -0.899 658 2HB SER 79 1HB SER 79 -13.442 3.803 -2.498 659 HG SER 79 HG SER 79 -13.842 5.678 -0.543 660 H ASN 80 H ASN 80 -15.662 1.889 0.605 661 HA ASN 80 HA ASN 80 -16.077 -0.355 0.583 662 1HB ASN 80 2HB ASN 80 -18.000 0.492 -0.848 663 2HB ASN 80 1HB ASN 80 -17.038 0.061 -2.257 664 1HD2 ASN 80 1HD2 ASN 80 -17.267 -1.728 0.778 665 2HD2 ASN 80 2HD2 ASN 80 -18.006 -3.134 0.093 666 H LEU 81 H LEU 81 -13.498 0.449 -0.004 667 HA LEU 81 HA LEU 81 -12.626 -1.154 -2.319 668 1HB LEU 81 2HB LEU 81 -12.180 1.372 -2.110 669 2HB LEU 81 1HB LEU 81 -11.020 0.942 -0.871 670 HG LEU 81 HG LEU 81 -9.827 -0.458 -2.570 671 1HD1 LEU 81 1HD1 LEU 81 -10.325 -0.071 -4.926 672 2HD1 LEU 81 2HD1 LEU 81 -11.711 0.921 -4.477 673 3HD1 LEU 81 3HD1 LEU 81 -11.699 -0.799 -4.098 674 1HD2 LEU 81 1HD2 LEU 81 -10.151 2.478 -3.180 675 2HD2 LEU 81 2HD2 LEU 81 -8.816 1.459 -3.717 676 3HD2 LEU 81 3HD2 LEU 81 -9.050 1.770 -1.997 677 H THR 82 H THR 82 -13.210 -2.060 0.481 678 HA THR 82 HA THR 82 -10.899 -2.482 1.980 679 HB THR 82 HB THR 82 -13.167 -4.452 1.923 680 HG1 THR 82 HG1 THR 82 -14.323 -2.975 3.244 681 1HG2 THR 82 1HG2 THR 82 -12.771 -4.497 4.342 682 2HG2 THR 82 2HG2 THR 82 -11.510 -3.276 4.164 683 3HG2 THR 82 3HG2 THR 82 -11.293 -4.875 3.455 684 H GLU 83 H GLU 83 -12.494 -4.674 -0.351 685 HA GLU 83 HA GLU 83 -10.788 -6.874 -0.011 686 1HB GLU 83 2HB GLU 83 -13.012 -6.809 -1.217 687 2HB GLU 83 1HB GLU 83 -12.162 -6.114 -2.586 688 1HG GLU 83 2HG GLU 83 -10.682 -8.132 -2.582 689 2HG GLU 83 1HG GLU 83 -11.767 -8.841 -1.384 690 H TYR 84 H TYR 84 -10.569 -4.055 -2.021 691 HA TYR 84 HA TYR 84 -8.678 -4.783 -3.889 692 1HB TYR 84 2HB TYR 84 -9.951 -2.683 -3.900 693 2HB TYR 84 1HB TYR 84 -9.009 -2.104 -2.535 694 HD1 TYR 84 HD1 TYR 84 -8.671 -3.207 -6.073 695 HD2 TYR 84 HD2 TYR 84 -7.064 -0.882 -2.895 696 HE1 TYR 84 HE1 TYR 84 -7.075 -2.182 -7.638 697 HE2 TYR 84 HE2 TYR 84 -5.460 0.143 -4.447 698 HH TYR 84 HH TYR 84 -4.448 -0.202 -6.559 699 H MET 85 H MET 85 -8.149 -3.698 -0.559 700 HA MET 85 HA MET 85 -5.296 -3.547 -0.902 701 1HB MET 85 2HB MET 85 -7.074 -3.260 1.510 702 2HB MET 85 1HB MET 85 -5.341 -3.026 1.528 703 1HG MET 85 2HG MET 85 -7.348 -1.422 -0.018 704 2HG MET 85 1HG MET 85 -6.450 -0.905 1.406 705 1HE MET 85 1HE MET 85 -6.597 0.758 -1.321 706 2HE MET 85 2HE MET 85 -4.918 1.299 -1.415 707 3HE MET 85 3HE MET 85 -5.749 1.272 0.138 708 H LYS 86 H LYS 86 -7.608 -5.871 0.203 709 HA LYS 86 HA LYS 86 -5.571 -7.441 1.581 710 1HB LYS 86 2HB LYS 86 -7.894 -7.061 2.506 711 2HB LYS 86 1HB LYS 86 -8.497 -8.087 1.213 712 1HG LYS 86 2HG LYS 86 -7.301 -9.975 2.071 713 2HG LYS 86 1HG LYS 86 -6.482 -8.970 3.269 714 1HD LYS 86 2HD LYS 86 -8.279 -10.167 4.341 715 2HD LYS 86 1HD LYS 86 -8.695 -8.453 4.270 716 1HE LYS 86 2HE LYS 86 -10.039 -8.923 2.237 717 2HE LYS 86 1HE LYS 86 -9.705 -10.642 2.459 718 1HZ LYS 86 1HZ LYS 86 -10.709 -10.353 4.743 719 2HZ LYS 86 2HZ LYS 86 -11.784 -10.265 3.433 720 3HZ LYS 86 3HZ LYS 86 -11.278 -8.846 4.210 721 H GLU 87 H GLU 87 -6.908 -7.118 -1.468 722 HA GLU 87 HA GLU 87 -6.807 -9.795 -2.400 723 1HB GLU 87 2HB GLU 87 -8.094 -8.191 -3.639 724 2HB GLU 87 1HB GLU 87 -6.697 -7.142 -3.830 725 1HG GLU 87 2HG GLU 87 -5.668 -9.173 -5.073 726 2HG GLU 87 1HG GLU 87 -7.345 -9.695 -5.222 727 H LYS 88 H LYS 88 -5.100 -10.998 -2.894 728 HA LYS 88 HA LYS 88 -2.554 -9.666 -3.482 729 1HB LYS 88 2HB LYS 88 -1.490 -11.827 -3.150 730 2HB LYS 88 1HB LYS 88 -2.472 -11.428 -1.751 731 1HG LYS 88 2HG LYS 88 -4.216 -12.940 -2.517 732 2HG LYS 88 1HG LYS 88 -3.267 -13.321 -3.957 733 1HD LYS 88 2HD LYS 88 -1.458 -14.157 -2.475 734 2HD LYS 88 1HD LYS 88 -2.517 -13.880 -1.091 735 1HE LYS 88 2HE LYS 88 -4.147 -15.448 -2.031 736 2HE LYS 88 1HE LYS 88 -3.080 -15.731 -3.406 737 1HZ LYS 88 1HZ LYS 88 -1.411 -16.594 -1.862 738 2HZ LYS 88 2HZ LYS 88 -2.853 -17.480 -1.775 739 3HZ LYS 88 3HZ LYS 88 -2.473 -16.353 -0.564 740 H ILE 89 H ILE 89 -1.580 -9.935 -5.489 741 HA ILE 89 HA ILE 89 -3.382 -10.720 -7.610 742 HB ILE 89 HB ILE 89 -0.519 -9.867 -7.963 743 1HG1 ILE 89 2HG1 ILE 89 -2.949 -8.074 -7.740 744 2HG1 ILE 89 1HG1 ILE 89 -1.685 -8.219 -6.520 745 1HG2 ILE 89 1HG2 ILE 89 -2.948 -9.614 -9.730 746 2HG2 ILE 89 2HG2 ILE 89 -1.634 -10.770 -9.930 747 3HG2 ILE 89 3HG2 ILE 89 -1.326 -9.046 -10.122 748 1HD1 ILE 89 1HD1 ILE 89 -1.309 -7.207 -9.329 749 2HD1 ILE 89 2HD1 ILE 89 -0.061 -7.323 -8.086 750 3HD1 ILE 89 3HD1 ILE 89 -1.416 -6.216 -7.875 751 H LYS 90 H LYS 90 -3.357 -12.570 -8.684 752 HA LYS 90 HA LYS 90 -2.903 -14.717 -9.269 753 1HB LYS 90 2HB LYS 90 -0.148 -13.588 -8.988 754 2HB LYS 90 1HB LYS 90 -0.343 -15.318 -9.212 755 1HG LYS 90 2HG LYS 90 0.065 -14.278 -11.338 756 2HG LYS 90 1HG LYS 90 -1.592 -14.873 -11.299 757 1HD LYS 90 2HD LYS 90 -2.440 -12.657 -10.925 758 2HD LYS 90 1HD LYS 90 -0.808 -12.013 -10.737 759 1HE LYS 90 2HE LYS 90 -1.638 -11.457 -12.926 760 2HE LYS 90 1HE LYS 90 -0.336 -12.632 -13.083 761 1HZ LYS 90 1HZ LYS 90 -2.169 -13.176 -14.535 762 2HZ LYS 90 2HZ LYS 90 -3.246 -13.222 -13.231 763 3HZ LYS 90 3HZ LYS 90 -2.008 -14.376 -13.349 764 H ILE 91 H ILE 91 -1.043 -16.518 -8.363 765 HA ILE 91 HA ILE 91 -0.510 -17.988 -6.756 766 HB ILE 91 HB ILE 91 -1.109 -15.744 -4.848 767 1HG1 ILE 91 2HG1 ILE 91 1.522 -16.482 -6.140 768 2HG1 ILE 91 1HG1 ILE 91 0.523 -15.107 -6.598 769 1HG2 ILE 91 1HG2 ILE 91 -0.920 -17.895 -3.714 770 2HG2 ILE 91 2HG2 ILE 91 0.492 -16.901 -3.352 771 3HG2 ILE 91 3HG2 ILE 91 0.611 -18.206 -4.533 772 1HD1 ILE 91 1HD1 ILE 91 1.815 -15.517 -3.913 773 2HD1 ILE 91 2HD1 ILE 91 0.842 -14.130 -4.398 774 3HD1 ILE 91 3HD1 ILE 91 2.389 -14.440 -5.185 775 H ARG 92 H ARG 92 -3.106 -17.851 -7.820 776 HA ARG 92 HA ARG 92 -4.476 -19.384 -5.740 777 1HB ARG 92 2HB ARG 92 -5.829 -17.301 -7.476 778 2HB ARG 92 1HB ARG 92 -6.678 -18.470 -6.475 779 1HG ARG 92 2HG ARG 92 -5.489 -17.494 -4.495 780 2HG ARG 92 1HG ARG 92 -4.906 -16.219 -5.565 781 1HD ARG 92 2HD ARG 92 -7.793 -16.882 -4.989 782 2HD ARG 92 1HD ARG 92 -6.899 -15.510 -4.345 783 HE ARG 92 HE ARG 92 -8.025 -15.790 -6.998 784 1HH1 ARG 92 1HH1 ARG 92 -5.746 -14.066 -4.977 785 2HH1 ARG 92 2HH1 ARG 92 -5.747 -12.636 -5.952 786 1HH2 ARG 92 1HH2 ARG 92 -8.042 -13.901 -8.288 787 2HH2 ARG 92 2HH2 ARG 92 -7.064 -12.541 -7.840 788 H MET 93 H MET 93 -5.487 -21.205 -6.512 789 HA MET 93 HA MET 93 -4.784 -21.927 -9.248 790 1HB MET 93 2HB MET 93 -4.281 -23.495 -7.414 791 2HB MET 93 1HB MET 93 -5.992 -23.579 -7.018 792 1HG MET 93 2HG MET 93 -5.341 -25.531 -8.259 793 2HG MET 93 1HG MET 93 -6.435 -24.550 -9.232 794 1HE MET 93 1HE MET 93 -4.047 -26.115 -11.918 795 2HE MET 93 2HE MET 93 -5.726 -25.852 -11.444 796 3HE MET 93 3HE MET 93 -4.682 -26.870 -10.455 797 HA PRO 94 HA PRO 94 -8.907 -20.987 -10.727 798 1HB PRO 94 2HB PRO 94 -8.623 -22.467 -13.054 799 2HB PRO 94 1HB PRO 94 -8.140 -20.778 -12.860 800 1HG PRO 94 2HG PRO 94 -6.477 -23.254 -12.724 801 2HG PRO 94 1HG PRO 94 -6.084 -21.672 -13.420 802 1HD PRO 94 2HD PRO 94 -5.123 -22.444 -11.037 803 2HD PRO 94 1HD PRO 94 -5.563 -20.755 -11.359 804 H THR 95 H THR 95 -10.607 -21.996 -9.940 805 HA THR 95 HA THR 95 -10.548 -24.862 -9.522 806 HB THR 95 HB THR 95 -11.382 -23.664 -7.662 807 HG1 THR 95 HG1 THR 95 -13.906 -24.271 -8.234 808 1HG2 THR 95 1HG2 THR 95 -13.279 -22.117 -7.767 809 2HG2 THR 95 2HG2 THR 95 -13.340 -22.315 -9.518 810 3HG2 THR 95 3HG2 THR 95 -11.935 -21.563 -8.767 811 H LEU 96 H LEU 96 -11.403 -26.285 -10.844 812 HA LEU 96 HA LEU 96 -12.816 -25.348 -13.202 813 1HB LEU 96 2HB LEU 96 -10.820 -26.978 -13.153 814 2HB LEU 96 1HB LEU 96 -11.974 -28.176 -12.608 815 HG LEU 96 HG LEU 96 -12.396 -26.669 -15.176 816 1HD1 LEU 96 1HD1 LEU 96 -10.839 -29.217 -14.779 817 2HD1 LEU 96 2HD1 LEU 96 -10.189 -27.667 -15.314 818 3HD1 LEU 96 3HD1 LEU 96 -11.328 -28.547 -16.333 819 1HD2 LEU 96 1HD2 LEU 96 -13.686 -28.659 -15.766 820 2HD2 LEU 96 2HD2 LEU 96 -14.296 -27.917 -14.287 821 3HD2 LEU 96 3HD2 LEU 96 -13.307 -29.373 -14.198 Start of MODEL 4 1 1H MET 1 1H MET 1 2.625 4.309 -14.585 2 2H MET 1 2H MET 1 1.729 4.946 -13.297 3 3H MET 1 3H MET 1 3.178 4.110 -12.993 4 HA MET 1 HA MET 1 4.402 5.821 -14.214 5 1HB MET 1 2HB MET 1 1.709 7.211 -14.183 6 2HB MET 1 1HB MET 1 3.227 7.983 -14.615 7 1HG MET 1 2HG MET 1 3.462 6.398 -16.492 8 2HG MET 1 1HG MET 1 1.890 5.719 -16.078 9 1HE MET 1 1HE MET 1 3.823 8.865 -17.419 10 2HE MET 1 2HE MET 1 3.039 9.479 -15.963 11 3HE MET 1 3HE MET 1 2.525 10.052 -17.551 12 HA PRO 2 HA PRO 2 5.241 6.810 -10.024 13 1HB PRO 2 2HB PRO 2 6.959 8.927 -10.476 14 2HB PRO 2 1HB PRO 2 7.416 7.222 -10.517 15 1HG PRO 2 2HG PRO 2 6.767 9.067 -12.774 16 2HG PRO 2 1HG PRO 2 8.015 7.811 -12.674 17 1HD PRO 2 2HD PRO 2 5.723 7.424 -14.021 18 2HD PRO 2 1HD PRO 2 6.514 6.108 -13.125 19 H ALA 3 H ALA 3 3.685 7.701 -8.871 20 HA ALA 3 HA ALA 3 3.339 10.600 -8.981 21 1HB ALA 3 1HB ALA 3 1.498 9.695 -10.328 22 2HB ALA 3 2HB ALA 3 0.903 10.412 -8.830 23 3HB ALA 3 3HB ALA 3 1.022 8.659 -8.982 24 H ILE 4 H ILE 4 3.930 11.224 -6.991 25 HA ILE 4 HA ILE 4 3.458 9.357 -4.768 26 HB ILE 4 HB ILE 4 5.351 11.711 -4.812 27 1HG1 ILE 4 2HG1 ILE 4 6.056 10.043 -6.458 28 2HG1 ILE 4 1HG1 ILE 4 7.146 10.038 -5.076 29 1HG2 ILE 4 1HG2 ILE 4 6.322 10.655 -2.826 30 2HG2 ILE 4 2HG2 ILE 4 5.093 9.391 -2.901 31 3HG2 ILE 4 3HG2 ILE 4 4.622 11.062 -2.579 32 1HD1 ILE 4 1HD1 ILE 4 6.017 8.055 -4.200 33 2HD1 ILE 4 2HD1 ILE 4 6.673 7.784 -5.814 34 3HD1 ILE 4 3HD1 ILE 4 4.944 8.059 -5.601 35 H GLU 5 H GLU 5 1.220 10.076 -4.755 36 HA GLU 5 HA GLU 5 0.905 12.618 -3.316 37 1HB GLU 5 2HB GLU 5 -0.847 11.243 -5.307 38 2HB GLU 5 1HB GLU 5 -1.603 12.197 -4.041 39 1HG GLU 5 2HG GLU 5 -1.398 13.593 -5.926 40 2HG GLU 5 1HG GLU 5 -0.180 14.123 -4.770 41 H VAL 6 H VAL 6 0.190 12.527 -1.304 42 HA VAL 6 HA VAL 6 -0.199 10.148 0.095 43 HB VAL 6 HB VAL 6 -1.366 11.615 1.823 44 1HG1 VAL 6 1HG1 VAL 6 0.713 12.743 2.452 45 2HG1 VAL 6 2HG1 VAL 6 1.361 12.448 0.840 46 3HG1 VAL 6 3HG1 VAL 6 1.018 11.092 1.912 47 1HG2 VAL 6 1HG2 VAL 6 -0.555 13.789 -0.108 48 2HG2 VAL 6 2HG2 VAL 6 -1.181 14.033 1.523 49 3HG2 VAL 6 3HG2 VAL 6 -2.210 13.323 0.279 50 HN2 GLY 7 H GLY 7 -1.762 8.729 0.025 51 1HA GLY 7 2HA GLY 7 -4.191 8.359 0.299 52 2HA GLY 7 1HA GLY 7 -4.419 9.615 -0.914 53 H ARG 8 H ARG 8 -1.923 8.394 -2.291 54 HA ARG 8 HA ARG 8 -3.459 6.448 -3.828 55 1HB ARG 8 2HB ARG 8 -1.894 8.335 -4.758 56 2HB ARG 8 1HB ARG 8 -0.610 7.188 -4.419 57 1HG ARG 8 2HG ARG 8 -2.543 7.258 -6.600 58 2HG ARG 8 1HG ARG 8 -0.967 6.482 -6.511 59 1HD ARG 8 2HD ARG 8 -2.445 4.704 -6.817 60 2HD ARG 8 1HD ARG 8 -2.159 4.703 -5.077 61 HE ARG 8 HE ARG 8 -4.455 6.238 -5.916 62 1HH1 ARG 8 1HH1 ARG 8 -3.340 3.046 -4.963 63 2HH1 ARG 8 2HH1 ARG 8 -4.915 2.518 -4.466 64 1HH2 ARG 8 1HH2 ARG 8 -6.513 5.539 -5.233 65 2HH2 ARG 8 2HH2 ARG 8 -6.715 3.939 -4.599 66 H ILE 9 H ILE 9 -3.543 4.555 -2.771 67 HA ILE 9 HA ILE 9 -1.363 3.322 -1.435 68 HB ILE 9 HB ILE 9 -3.821 2.036 -2.656 69 1HG1 ILE 9 2HG1 ILE 9 -4.443 1.887 -0.132 70 2HG1 ILE 9 1HG1 ILE 9 -3.275 3.185 0.068 71 1HG2 ILE 9 1HG2 ILE 9 -3.344 0.143 -1.173 72 2HG2 ILE 9 2HG2 ILE 9 -1.851 0.930 -0.659 73 3HG2 ILE 9 3HG2 ILE 9 -2.046 0.413 -2.335 74 1HD1 ILE 9 1HD1 ILE 9 -5.645 3.325 -1.782 75 2HD1 ILE 9 2HD1 ILE 9 -4.561 4.637 -1.323 76 3HD1 ILE 9 3HD1 ILE 9 -5.640 3.926 -0.126 77 H CYS 10 H CYS 10 0.409 2.486 -2.368 78 HA CYS 10 HA CYS 10 0.319 1.995 -5.262 79 1HB CYS 10 2HB CYS 10 2.873 2.100 -4.979 80 2HB CYS 10 1HB CYS 10 1.973 3.603 -4.795 81 HG CYS 10 HG CYS 10 4.208 3.066 -2.910 82 H VAL 11 H VAL 11 1.347 0.147 -6.140 83 HA VAL 11 HA VAL 11 1.676 -2.062 -4.224 84 HB VAL 11 HB VAL 11 -0.443 -2.350 -5.366 85 1HG1 VAL 11 1HG1 VAL 11 1.132 -2.214 -7.934 86 2HG1 VAL 11 2HG1 VAL 11 -0.029 -1.022 -7.351 87 3HG1 VAL 11 3HG1 VAL 11 -0.575 -2.638 -7.800 88 1HG2 VAL 11 1HG2 VAL 11 0.749 -4.380 -4.870 89 2HG2 VAL 11 2HG2 VAL 11 1.671 -4.252 -6.367 90 3HG2 VAL 11 3HG2 VAL 11 -0.065 -4.557 -6.424 91 H LYS 12 H LYS 12 3.306 -3.511 -4.626 92 HA LYS 12 HA LYS 12 5.418 -2.566 -6.369 93 1HB LYS 12 2HB LYS 12 5.261 -4.818 -4.365 94 2HB LYS 12 1HB LYS 12 6.680 -4.521 -5.357 95 1HG LYS 12 2HG LYS 12 6.903 -2.293 -4.391 96 2HG LYS 12 1HG LYS 12 5.456 -2.565 -3.422 97 1HD LYS 12 2HD LYS 12 8.000 -4.181 -3.240 98 2HD LYS 12 1HD LYS 12 7.536 -2.884 -2.135 99 1HE LYS 12 2HE LYS 12 5.499 -4.156 -1.561 100 2HE LYS 12 1HE LYS 12 6.050 -5.467 -2.599 101 1HZ LYS 12 1HZ LYS 12 8.060 -5.612 -1.173 102 2HZ LYS 12 2HZ LYS 12 6.620 -5.985 -0.359 103 3HZ LYS 12 3HZ LYS 12 7.357 -4.479 -0.128 104 H VAL 13 H VAL 13 4.436 -2.905 -8.379 105 HA VAL 13 HA VAL 13 3.186 -5.299 -9.159 106 HB VAL 13 HB VAL 13 3.297 -4.415 -11.466 107 1HG1 VAL 13 1HG1 VAL 13 2.506 -2.406 -9.369 108 2HG1 VAL 13 2HG1 VAL 13 1.505 -3.718 -9.987 109 3HG1 VAL 13 3HG1 VAL 13 1.977 -2.393 -11.050 110 1HG2 VAL 13 1HG2 VAL 13 5.492 -3.367 -11.407 111 2HG2 VAL 13 2HG2 VAL 13 4.918 -2.196 -10.220 112 3HG2 VAL 13 3HG2 VAL 13 4.261 -2.187 -11.857 113 H LYS 14 H LYS 14 6.527 -4.203 -9.531 114 HA LYS 14 HA LYS 14 7.097 -6.661 -11.023 115 1HB LYS 14 2HB LYS 14 7.813 -4.335 -11.869 116 2HB LYS 14 1HB LYS 14 9.043 -4.402 -10.614 117 1HG LYS 14 2HG LYS 14 10.033 -6.347 -11.584 118 2HG LYS 14 1HG LYS 14 8.707 -6.507 -12.735 119 1HD LYS 14 2HD LYS 14 9.364 -4.303 -13.694 120 2HD LYS 14 1HD LYS 14 10.769 -4.310 -12.622 121 1HE LYS 14 2HE LYS 14 10.144 -6.445 -14.660 122 2HE LYS 14 1HE LYS 14 11.275 -5.116 -14.913 123 1HZ LYS 14 1HZ LYS 14 12.749 -5.968 -13.356 124 2HZ LYS 14 2HZ LYS 14 12.205 -7.357 -14.157 125 3HZ LYS 14 3HZ LYS 14 11.588 -6.966 -12.626 126 HN2 GLY 15 H GLY 15 6.610 -6.463 -8.121 127 1HA GLY 15 2HA GLY 15 9.171 -7.106 -6.914 128 2HA GLY 15 1HA GLY 15 7.600 -7.164 -6.126 129 H ARG 16 H ARG 16 8.614 -8.704 -9.116 130 HA ARG 16 HA ARG 16 8.673 -10.821 -9.859 131 1HB ARG 16 2HB ARG 16 9.032 -11.550 -6.949 132 2HB ARG 16 1HB ARG 16 9.253 -12.650 -8.303 133 1HG ARG 16 2HG ARG 16 11.028 -11.118 -9.161 134 2HG ARG 16 1HG ARG 16 10.874 -10.199 -7.663 135 1HD ARG 16 2HD ARG 16 11.619 -13.112 -7.889 136 2HD ARG 16 1HD ARG 16 12.725 -11.784 -7.546 137 HE ARG 16 HE ARG 16 10.695 -11.739 -5.630 138 1HH1 ARG 16 1HH1 ARG 16 13.380 -13.760 -6.612 139 2HH1 ARG 16 2HH1 ARG 16 13.628 -14.420 -5.015 140 1HH2 ARG 16 1HH2 ARG 16 11.028 -12.611 -3.528 141 2HH2 ARG 16 2HH2 ARG 16 12.285 -13.778 -3.286 142 H GLU 17 H GLU 17 6.877 -11.098 -6.781 143 HA GLU 17 HA GLU 17 4.828 -12.611 -8.234 144 1HB GLU 17 2HB GLU 17 5.247 -12.284 -5.256 145 2HB GLU 17 1HB GLU 17 4.078 -13.353 -6.022 146 1HG GLU 17 2HG GLU 17 5.886 -14.633 -7.027 147 2HG GLU 17 1HG GLU 17 7.068 -13.547 -6.301 148 H ALA 18 H ALA 18 5.429 -9.565 -6.858 149 HA ALA 18 HA ALA 18 4.209 -7.661 -6.615 150 1HB ALA 18 1HB ALA 18 2.277 -9.043 -8.476 151 2HB ALA 18 2HB ALA 18 3.678 -8.092 -8.970 152 3HB ALA 18 3HB ALA 18 2.337 -7.315 -8.128 153 HN2 GLY 19 H GLY 19 3.823 -9.729 -4.665 154 1HA GLY 19 2HA GLY 19 0.942 -9.705 -4.135 155 2HA GLY 19 1HA GLY 19 2.109 -10.814 -3.435 156 H SER 20 H SER 20 2.157 -7.247 -3.579 157 HA SER 20 HA SER 20 1.325 -7.017 -0.852 158 1HB SER 20 2HB SER 20 3.610 -5.802 -0.300 159 2HB SER 20 1HB SER 20 3.428 -7.546 -0.098 160 HG SER 20 HG SER 20 4.445 -7.855 -2.061 161 H LYS 21 H LYS 21 0.533 -5.067 -0.404 162 HA LYS 21 HA LYS 21 1.065 -2.858 -2.280 163 1HB LYS 21 2HB LYS 21 -1.497 -2.837 -0.777 164 2HB LYS 21 1HB LYS 21 -1.148 -2.279 -2.403 165 1HG LYS 21 2HG LYS 21 -2.558 -4.042 -2.812 166 2HG LYS 21 1HG LYS 21 -0.979 -4.818 -2.951 167 1HD LYS 21 2HD LYS 21 -1.157 -5.651 -0.672 168 2HD LYS 21 1HD LYS 21 -2.700 -4.819 -0.467 169 1HE LYS 21 2HE LYS 21 -3.665 -6.201 -2.250 170 2HE LYS 21 1HE LYS 21 -2.124 -7.040 -2.425 171 1HZ LYS 21 1HZ LYS 21 -3.740 -8.259 -1.051 172 2HZ LYS 21 2HZ LYS 21 -3.750 -6.986 0.063 173 3HZ LYS 21 3HZ LYS 21 -2.328 -7.878 -0.195 174 H CYS 22 H CYS 22 1.005 -0.717 -1.287 175 HA CYS 22 HA CYS 22 1.061 -0.671 1.624 176 1HB CYS 22 2HB CYS 22 3.305 0.500 1.573 177 2HB CYS 22 1HB CYS 22 3.334 -1.223 1.220 178 HG CYS 22 HG CYS 22 3.123 0.884 -1.412 179 H VAL 23 H VAL 23 1.009 1.433 2.530 180 HA VAL 23 HA VAL 23 0.103 3.528 0.655 181 HB VAL 23 HB VAL 23 -0.506 3.345 3.616 182 1HG1 VAL 23 1HG1 VAL 23 -1.701 5.034 1.418 183 2HG1 VAL 23 2HG1 VAL 23 -0.637 5.592 2.710 184 3HG1 VAL 23 3HG1 VAL 23 -2.250 4.993 3.095 185 1HG2 VAL 23 1HG2 VAL 23 -2.759 2.607 2.971 186 2HG2 VAL 23 2HG2 VAL 23 -1.522 1.442 2.503 187 3HG2 VAL 23 3HG2 VAL 23 -2.236 2.504 1.289 188 H ILE 24 H ILE 24 1.266 5.360 0.553 189 HA ILE 24 HA ILE 24 3.655 5.648 2.126 190 HB ILE 24 HB ILE 24 2.404 7.625 0.201 191 1HG1 ILE 24 2HG1 ILE 24 4.568 5.564 -0.287 192 2HG1 ILE 24 1HG1 ILE 24 2.904 5.423 -0.838 193 1HG2 ILE 24 1HG2 ILE 24 4.638 8.600 0.092 194 2HG2 ILE 24 2HG2 ILE 24 5.228 7.404 1.247 195 3HG2 ILE 24 3HG2 ILE 24 4.038 8.604 1.752 196 1HD1 ILE 24 1HD1 ILE 24 4.379 6.153 -2.625 197 2HD1 ILE 24 2HD1 ILE 24 4.853 7.555 -1.667 198 3HD1 ILE 24 3HD1 ILE 24 3.191 7.397 -2.232 199 H VAL 25 H VAL 25 3.671 6.479 4.125 200 HA VAL 25 HA VAL 25 1.484 8.299 4.868 201 HB VAL 25 HB VAL 25 2.035 7.720 7.235 202 1HG1 VAL 25 1HG1 VAL 25 0.190 6.639 6.082 203 2HG1 VAL 25 2HG1 VAL 25 0.994 5.498 7.162 204 3HG1 VAL 25 3HG1 VAL 25 1.290 5.427 5.425 205 1HG2 VAL 25 1HG2 VAL 25 4.342 6.988 6.938 206 2HG2 VAL 25 2HG2 VAL 25 3.798 5.629 5.954 207 3HG2 VAL 25 3HG2 VAL 25 3.373 5.706 7.663 208 H ASP 26 H ASP 26 4.968 7.982 4.772 209 HA ASP 26 HA ASP 26 5.171 10.842 5.315 210 1HB ASP 26 2HB ASP 26 5.526 9.773 7.504 211 2HB ASP 26 1HB ASP 26 6.823 8.799 6.820 212 H ILE 27 H ILE 27 7.001 11.821 4.448 213 HA ILE 27 HA ILE 27 8.419 10.151 2.482 214 HB ILE 27 HB ILE 27 7.659 13.068 2.224 215 1HG1 ILE 27 2HG1 ILE 27 6.590 10.621 0.788 216 2HG1 ILE 27 1HG1 ILE 27 5.731 11.548 2.014 217 1HG2 ILE 27 1HG2 ILE 27 9.753 12.599 1.102 218 2HG2 ILE 27 2HG2 ILE 27 8.475 12.842 -0.089 219 3HG2 ILE 27 3HG2 ILE 27 9.034 11.211 0.286 220 1HD1 ILE 27 1HD1 ILE 27 5.714 13.491 0.548 221 2HD1 ILE 27 2HD1 ILE 27 4.967 12.096 -0.230 222 3HD1 ILE 27 3HD1 ILE 27 6.604 12.581 -0.674 223 H ILE 28 H ILE 28 10.476 9.894 3.031 224 HA ILE 28 HA ILE 28 11.783 11.807 4.765 225 HB ILE 28 HB ILE 28 12.809 9.235 3.544 226 1HG1 ILE 28 2HG1 ILE 28 12.837 8.594 6.048 227 2HG1 ILE 28 1HG1 ILE 28 11.773 9.976 6.277 228 1HG2 ILE 28 1HG2 ILE 28 14.650 10.793 3.865 229 2HG2 ILE 28 2HG2 ILE 28 14.744 9.473 5.031 230 3HG2 ILE 28 3HG2 ILE 28 14.155 11.057 5.538 231 1HD1 ILE 28 1HD1 ILE 28 10.528 7.893 6.122 232 2HD1 ILE 28 2HD1 ILE 28 11.212 7.594 4.523 233 3HD1 ILE 28 3HD1 ILE 28 10.139 8.969 4.779 234 H ASP 29 H ASP 29 12.482 10.371 1.579 235 HA ASP 29 HA ASP 29 13.435 12.993 0.693 236 1HB ASP 29 2HB ASP 29 15.360 11.990 -0.453 237 2HB ASP 29 1HB ASP 29 15.454 11.744 1.288 238 H ASP 30 H ASP 30 14.233 12.104 -1.885 239 HA ASP 30 HA ASP 30 11.562 12.112 -3.003 240 1HB ASP 30 2HB ASP 30 13.361 13.684 -3.741 241 2HB ASP 30 1HB ASP 30 14.214 12.312 -4.442 242 H ASN 31 H ASN 31 13.772 9.689 -2.278 243 HA ASN 31 HA ASN 31 12.598 7.960 -4.363 244 1HB ASN 31 2HB ASN 31 15.006 8.343 -4.759 245 2HB ASN 31 1HB ASN 31 15.362 7.714 -3.153 246 1HD2 ASN 31 1HD2 ASN 31 16.640 6.053 -3.966 247 2HD2 ASN 31 2HD2 ASN 31 15.959 4.689 -4.783 248 H PHE 32 H PHE 32 13.871 8.101 -1.057 249 HA PHE 32 HA PHE 32 12.494 5.575 -0.488 250 1HB PHE 32 2HB PHE 32 14.678 7.059 0.963 251 2HB PHE 32 1HB PHE 32 13.776 5.751 1.722 252 HD1 PHE 32 HD1 PHE 32 14.035 3.466 0.980 253 HD2 PHE 32 HD2 PHE 32 16.245 6.623 -0.822 254 HE1 PHE 32 HE1 PHE 32 15.536 1.817 -0.054 255 HE2 PHE 32 HE2 PHE 32 17.754 4.977 -1.861 256 HZ PHE 32 HZ PHE 32 17.396 2.569 -1.478 257 H VAL 33 H VAL 33 10.595 5.620 0.404 258 HA VAL 33 HA VAL 33 9.882 7.874 2.161 259 HB VAL 33 HB VAL 33 7.536 7.610 1.422 260 1HG1 VAL 33 1HG1 VAL 33 8.937 9.316 0.384 261 2HG1 VAL 33 2HG1 VAL 33 7.781 8.658 -0.774 262 3HG1 VAL 33 3HG1 VAL 33 9.468 8.150 -0.831 263 1HG2 VAL 33 1HG2 VAL 33 7.580 5.298 0.700 264 2HG2 VAL 33 2HG2 VAL 33 8.696 5.703 -0.606 265 3HG2 VAL 33 3HG2 VAL 33 7.050 6.337 -0.625 266 H LEU 34 H LEU 34 8.031 7.276 3.649 267 HA LEU 34 HA LEU 34 8.545 4.604 4.734 268 1HB LEU 34 2HB LEU 34 8.788 6.501 6.275 269 2HB LEU 34 1HB LEU 34 7.133 6.986 5.954 270 HG LEU 34 HG LEU 34 6.339 4.867 6.962 271 1HD1 LEU 34 1HD1 LEU 34 7.893 3.481 8.228 272 2HD1 LEU 34 2HD1 LEU 34 9.243 4.462 7.661 273 3HD1 LEU 34 3HD1 LEU 34 8.311 3.500 6.515 274 1HD2 LEU 34 1HD2 LEU 34 8.155 6.510 8.718 275 2HD2 LEU 34 2HD2 LEU 34 6.852 5.464 9.277 276 3HD2 LEU 34 3HD2 LEU 34 6.483 6.890 8.309 277 H VAL 35 H VAL 35 7.190 3.053 4.181 278 HA VAL 35 HA VAL 35 4.399 3.789 3.608 279 HB VAL 35 HB VAL 35 4.310 1.908 2.016 280 1HG1 VAL 35 1HG1 VAL 35 4.715 4.137 1.171 281 2HG1 VAL 35 2HG1 VAL 35 5.623 2.959 0.225 282 3HG1 VAL 35 3HG1 VAL 35 6.451 3.948 1.428 283 1HG2 VAL 35 1HG2 VAL 35 7.283 1.730 2.487 284 2HG2 VAL 35 2HG2 VAL 35 6.390 0.876 1.229 285 3HG2 VAL 35 3HG2 VAL 35 6.078 0.520 2.929 286 H THR 36 H THR 36 2.790 2.343 4.215 287 HA THR 36 HA THR 36 3.430 -0.067 5.657 288 HB THR 36 HB THR 36 3.747 1.707 7.394 289 HG1 THR 36 HG1 THR 36 1.415 0.374 8.183 290 1HG2 THR 36 1HG2 THR 36 0.808 2.214 6.930 291 2HG2 THR 36 2HG2 THR 36 2.126 3.341 6.613 292 3HG2 THR 36 3HG2 THR 36 1.757 2.865 8.269 293 HN2 GLY 37 H GLY 37 1.289 -1.040 6.508 294 1HA GLY 37 2HA GLY 37 -0.952 -0.152 4.795 295 2HA GLY 37 1HA GLY 37 -0.583 -1.854 5.033 296 HA PRO 38 HA PRO 38 -3.478 -0.081 8.403 297 1HB PRO 38 2HB PRO 38 -5.604 -1.594 7.041 298 2HB PRO 38 1HB PRO 38 -5.619 0.068 7.637 299 1HG PRO 38 2HG PRO 38 -5.560 -0.497 5.006 300 2HG PRO 38 1HG PRO 38 -4.737 0.920 5.686 301 1HD PRO 38 2HD PRO 38 -3.591 -1.710 4.838 302 2HD PRO 38 1HD PRO 38 -2.943 -0.072 4.613 303 H LYS 39 H LYS 39 -3.896 -1.304 10.180 304 HA LYS 39 HA LYS 39 -3.205 -4.111 10.072 305 1HB LYS 39 2HB LYS 39 -4.010 -3.547 12.665 306 2HB LYS 39 1HB LYS 39 -2.354 -3.525 12.074 307 1HG LYS 39 2HG LYS 39 -2.423 -1.174 11.725 308 2HG LYS 39 1HG LYS 39 -4.161 -1.121 12.018 309 1HD LYS 39 2HD LYS 39 -2.150 -1.987 14.090 310 2HD LYS 39 1HD LYS 39 -2.711 -0.323 13.916 311 1HE LYS 39 2HE LYS 39 -4.386 -2.747 14.555 312 2HE LYS 39 1HE LYS 39 -3.982 -1.424 15.647 313 1HZ LYS 39 1HZ LYS 39 -5.944 -1.524 13.484 314 2HZ LYS 39 2HZ LYS 39 -5.134 -0.051 13.715 315 3HZ LYS 39 3HZ LYS 39 -6.022 -0.739 14.986 316 H ASP 40 H ASP 40 -4.804 -5.043 12.089 317 HA ASP 40 HA ASP 40 -6.781 -6.048 12.514 318 1HB ASP 40 2HB ASP 40 -8.010 -3.777 10.941 319 2HB ASP 40 1HB ASP 40 -8.867 -4.895 11.989 320 H ILE 41 H ILE 41 -6.890 -4.772 9.212 321 HA ILE 41 HA ILE 41 -8.262 -7.153 8.274 322 HB ILE 41 HB ILE 41 -7.425 -4.690 6.735 323 1HG1 ILE 41 2HG1 ILE 41 -10.124 -5.384 7.917 324 2HG1 ILE 41 1HG1 ILE 41 -8.998 -4.210 8.599 325 1HG2 ILE 41 1HG2 ILE 41 -9.356 -6.900 6.043 326 2HG2 ILE 41 2HG2 ILE 41 -7.791 -6.600 5.286 327 3HG2 ILE 41 3HG2 ILE 41 -9.100 -5.433 5.098 328 1HD1 ILE 41 1HD1 ILE 41 -9.199 -2.844 6.596 329 2HD1 ILE 41 2HD1 ILE 41 -10.778 -3.132 7.333 330 3HD1 ILE 41 3HD1 ILE 41 -10.300 -4.028 5.890 331 H THR 42 H THR 42 -5.568 -5.297 6.835 332 HA THR 42 HA THR 42 -4.601 -7.767 5.641 333 HB THR 42 HB THR 42 -3.416 -5.025 5.246 334 HG1 THR 42 HG1 THR 42 -4.920 -5.082 3.334 335 1HG2 THR 42 1HG2 THR 42 -3.581 -7.455 3.457 336 2HG2 THR 42 2HG2 THR 42 -2.158 -6.939 4.361 337 3HG2 THR 42 3HG2 THR 42 -2.791 -5.928 3.062 338 HN2 GLY 43 H GLY 43 -3.242 -5.101 7.604 339 1HA GLY 43 2HA GLY 43 -1.727 -5.240 9.349 340 2HA GLY 43 1HA GLY 43 -1.706 -6.985 9.144 341 H VAL 44 H VAL 44 -0.899 -4.424 6.813 342 HA VAL 44 HA VAL 44 1.560 -5.769 6.160 343 HB VAL 44 HB VAL 44 0.671 -3.025 5.261 344 1HG1 VAL 44 1HG1 VAL 44 2.684 -4.943 4.105 345 2HG1 VAL 44 2HG1 VAL 44 3.034 -3.424 4.929 346 3HG1 VAL 44 3HG1 VAL 44 2.192 -3.411 3.378 347 1HG2 VAL 44 1HG2 VAL 44 0.211 -5.693 3.940 348 2HG2 VAL 44 2HG2 VAL 44 -0.157 -4.119 3.233 349 3HG2 VAL 44 3HG2 VAL 44 -1.018 -4.662 4.673 350 H LYS 45 H LYS 45 3.378 -5.535 7.256 351 HA LYS 45 HA LYS 45 3.612 -3.584 9.342 352 1HB LYS 45 2HB LYS 45 5.041 -6.006 8.484 353 2HB LYS 45 1HB LYS 45 6.084 -4.763 9.160 354 1HG LYS 45 2HG LYS 45 5.309 -6.397 10.835 355 2HG LYS 45 1HG LYS 45 4.840 -4.743 11.209 356 1HD LYS 45 2HD LYS 45 2.860 -5.793 11.646 357 2HD LYS 45 1HD LYS 45 2.632 -5.467 9.931 358 1HE LYS 45 2HE LYS 45 3.797 -8.059 10.913 359 2HE LYS 45 1HE LYS 45 2.057 -7.809 10.794 360 1HZ LYS 45 1HZ LYS 45 2.417 -7.251 8.417 361 2HZ LYS 45 2HZ LYS 45 2.780 -8.852 8.813 362 3HZ LYS 45 3HZ LYS 45 4.038 -7.735 8.585 363 H ARG 46 H ARG 46 4.993 -1.830 9.444 364 HA ARG 46 HA ARG 46 5.308 -0.546 6.915 365 1HB ARG 46 2HB ARG 46 6.074 1.395 8.184 366 2HB ARG 46 1HB ARG 46 4.602 0.722 8.868 367 1HG ARG 46 2HG ARG 46 5.933 -0.378 10.609 368 2HG ARG 46 1HG ARG 46 7.393 0.352 9.932 369 1HD ARG 46 2HD ARG 46 6.477 2.577 10.342 370 2HD ARG 46 1HD ARG 46 5.005 1.860 10.993 371 HE ARG 46 HE ARG 46 7.479 1.099 12.315 372 1HH1 ARG 46 1HH1 ARG 46 4.728 3.275 12.252 373 2HH1 ARG 46 2HH1 ARG 46 4.868 3.714 13.925 374 1HH2 ARG 46 1HH2 ARG 46 7.653 1.663 14.520 375 2HH2 ARG 46 2HH2 ARG 46 6.526 2.793 15.218 376 H ARG 47 H ARG 47 7.139 0.298 5.965 377 HA ARG 47 HA ARG 47 9.787 -0.448 6.846 378 1HB ARG 47 2HB ARG 47 8.875 -2.519 5.741 379 2HB ARG 47 1HB ARG 47 8.684 -1.590 4.264 380 1HG ARG 47 2HG ARG 47 10.666 -2.825 4.016 381 2HG ARG 47 1HG ARG 47 11.169 -1.167 4.348 382 1HD ARG 47 2HD ARG 47 11.621 -1.719 6.650 383 2HD ARG 47 1HD ARG 47 10.984 -3.347 6.421 384 HE ARG 47 HE ARG 47 13.161 -2.721 4.652 385 1HH1 ARG 47 1HH1 ARG 47 12.286 -3.938 7.820 386 2HH1 ARG 47 2HH1 ARG 47 13.811 -4.742 8.071 387 1HH2 ARG 47 1HH2 ARG 47 15.149 -3.775 4.963 388 2HH2 ARG 47 2HH2 ARG 47 15.446 -4.649 6.435 389 H ARG 48 H ARG 48 11.406 0.760 5.695 390 HA ARG 48 HA ARG 48 10.327 2.877 3.997 391 1HB ARG 48 2HB ARG 48 13.083 2.469 5.167 392 2HB ARG 48 1HB ARG 48 12.652 3.810 4.114 393 1HG ARG 48 2HG ARG 48 10.846 4.364 5.798 394 2HG ARG 48 1HG ARG 48 11.645 3.218 6.876 395 1HD ARG 48 2HD ARG 48 12.980 5.602 5.605 396 2HD ARG 48 1HD ARG 48 12.322 5.578 7.237 397 HE ARG 48 HE ARG 48 14.147 3.455 6.955 398 1HH1 ARG 48 1HH1 ARG 48 14.098 6.947 7.071 399 2HH1 ARG 48 2HH1 ARG 48 15.677 7.091 7.776 400 1HH2 ARG 48 1HH2 ARG 48 16.225 3.616 7.883 401 2HH2 ARG 48 2HH2 ARG 48 16.896 5.187 8.236 402 H VAL 49 H VAL 49 10.140 2.461 1.922 403 HA VAL 49 HA VAL 49 12.133 0.716 0.624 404 HB VAL 49 HB VAL 49 9.205 0.872 -0.133 405 1HG1 VAL 49 1HG1 VAL 49 10.713 0.153 -1.924 406 2HG1 VAL 49 2HG1 VAL 49 9.650 -1.153 -1.399 407 3HG1 VAL 49 3HG1 VAL 49 11.335 -1.125 -0.880 408 1HG2 VAL 49 1HG2 VAL 49 9.398 -0.071 2.113 409 2HG2 VAL 49 2HG2 VAL 49 10.578 -1.242 1.522 410 3HG2 VAL 49 3HG2 VAL 49 8.912 -1.300 0.945 411 H ASN 50 H ASN 50 12.441 1.131 -1.668 412 HA ASN 50 HA ASN 50 12.284 3.952 -2.315 413 1HB ASN 50 2HB ASN 50 13.640 3.364 -4.283 414 2HB ASN 50 1HB ASN 50 14.364 2.745 -2.802 415 1HD2 ASN 50 1HD2 ASN 50 14.425 0.541 -2.443 416 2HD2 ASN 50 2HD2 ASN 50 14.098 -0.623 -3.684 417 H ILE 51 H ILE 51 11.263 4.779 -4.179 418 HA ILE 51 HA ILE 51 8.770 3.435 -4.748 419 HB ILE 51 HB ILE 51 8.212 5.527 -5.947 420 1HG1 ILE 51 2HG1 ILE 51 10.933 6.457 -5.008 421 2HG1 ILE 51 1HG1 ILE 51 10.516 6.085 -6.679 422 1HG2 ILE 51 1HG2 ILE 51 9.287 5.850 -3.152 423 2HG2 ILE 51 2HG2 ILE 51 7.662 5.331 -3.605 424 3HG2 ILE 51 3HG2 ILE 51 8.190 6.979 -3.948 425 1HD1 ILE 51 1HD1 ILE 51 9.351 8.285 -4.987 426 2HD1 ILE 51 2HD1 ILE 51 8.857 7.900 -6.634 427 3HD1 ILE 51 3HD1 ILE 51 10.495 8.470 -6.316 428 H LEU 52 H LEU 52 11.620 2.846 -6.015 429 HA LEU 52 HA LEU 52 11.185 3.348 -8.810 430 1HB LEU 52 2HB LEU 52 13.428 3.377 -7.769 431 2HB LEU 52 1HB LEU 52 13.286 1.660 -7.448 432 HG LEU 52 HG LEU 52 13.175 1.246 -9.897 433 1HD1 LEU 52 1HD1 LEU 52 12.299 3.390 -10.616 434 2HD1 LEU 52 2HD1 LEU 52 13.828 3.043 -11.425 435 3HD1 LEU 52 3HD1 LEU 52 13.780 4.192 -10.087 436 1HD2 LEU 52 1HD2 LEU 52 15.597 2.773 -8.955 437 2HD2 LEU 52 2HD2 LEU 52 15.540 1.665 -10.327 438 3HD2 LEU 52 3HD2 LEU 52 15.285 1.059 -8.690 439 H HIS 53 H HIS 53 10.100 0.962 -6.694 440 HA HIS 53 HA HIS 53 9.657 -0.902 -8.944 441 1HB HIS 53 2HB HIS 53 10.085 -1.588 -6.024 442 2HB HIS 53 1HB HIS 53 9.639 -2.745 -7.271 443 HD1 HIS 53 HD1 HIS 53 12.296 -2.800 -5.518 444 HD2 HIS 53 HD2 HIS 53 11.962 -1.492 -9.456 445 HE1 HIS 53 HE1 HIS 53 14.600 -3.020 -6.506 446 HE2 HIS 53 HE2 HIS 53 14.406 -2.103 -8.849 447 H LEU 54 H LEU 54 8.060 1.359 -7.578 448 HA LEU 54 HA LEU 54 5.667 -0.235 -6.934 449 1HB LEU 54 2HB LEU 54 6.673 2.324 -5.723 450 2HB LEU 54 1HB LEU 54 4.992 1.854 -5.595 451 HG LEU 54 HG LEU 54 5.738 -0.245 -4.439 452 1HD1 LEU 54 1HD1 LEU 54 7.984 -0.320 -3.507 453 2HD1 LEU 54 2HD1 LEU 54 8.406 1.149 -4.385 454 3HD1 LEU 54 3HD1 LEU 54 8.030 -0.329 -5.269 455 1HD2 LEU 54 1HD2 LEU 54 6.223 0.869 -2.313 456 2HD2 LEU 54 2HD2 LEU 54 4.908 1.655 -3.187 457 3HD2 LEU 54 3HD2 LEU 54 6.518 2.376 -3.182 458 H GLU 55 H GLU 55 3.938 0.093 -8.170 459 HA GLU 55 HA GLU 55 3.857 2.509 -9.853 460 1HB GLU 55 2HB GLU 55 2.974 -0.312 -10.359 461 2HB GLU 55 1HB GLU 55 2.194 1.013 -11.211 462 1HG GLU 55 2HG GLU 55 5.173 0.719 -11.215 463 2HG GLU 55 1HG GLU 55 4.162 -0.198 -12.330 464 HA PRO 56 HA PRO 56 0.164 3.376 -7.461 465 1HB PRO 56 2HB PRO 56 0.112 5.936 -8.783 466 2HB PRO 56 1HB PRO 56 0.536 5.574 -7.111 467 1HG PRO 56 2HG PRO 56 2.319 6.477 -8.986 468 2HG PRO 56 1HG PRO 56 2.773 5.528 -7.560 469 1HD PRO 56 2HD PRO 56 2.386 4.635 -10.393 470 2HD PRO 56 1HD PRO 56 3.626 4.152 -9.213 471 H THR 57 H THR 57 -1.891 2.976 -7.994 472 HA THR 57 HA THR 57 -2.678 2.528 -10.695 473 HB THR 57 HB THR 57 -4.949 2.157 -9.715 474 HG1 THR 57 HG1 THR 57 -4.271 3.724 -7.884 475 1HG2 THR 57 1HG2 THR 57 -2.677 0.776 -8.276 476 2HG2 THR 57 2HG2 THR 57 -3.339 0.316 -9.844 477 3HG2 THR 57 3HG2 THR 57 -4.335 0.181 -8.395 478 H ASP 58 H ASP 58 -4.685 3.515 -11.623 479 HA ASP 58 HA ASP 58 -4.361 6.305 -11.914 480 1HB ASP 58 2HB ASP 58 -6.622 4.489 -12.773 481 2HB ASP 58 1HB ASP 58 -6.444 6.164 -13.285 482 H LYS 59 H LYS 59 -6.335 4.412 -9.796 483 HA LYS 59 HA LYS 59 -8.266 6.361 -9.113 484 1HB LYS 59 2HB LYS 59 -7.197 3.940 -7.666 485 2HB LYS 59 1HB LYS 59 -8.405 4.987 -6.941 486 1HG LYS 59 2HG LYS 59 -9.557 3.157 -7.875 487 2HG LYS 59 1HG LYS 59 -9.854 4.530 -8.939 488 1HD LYS 59 2HD LYS 59 -8.191 3.709 -10.504 489 2HD LYS 59 1HD LYS 59 -7.796 2.376 -9.419 490 1HE LYS 59 2HE LYS 59 -9.271 1.652 -11.238 491 2HE LYS 59 1HE LYS 59 -10.047 1.481 -9.665 492 1HZ LYS 59 1HZ LYS 59 -11.262 3.525 -10.067 493 2HZ LYS 59 2HZ LYS 59 -11.546 2.422 -11.325 494 3HZ LYS 59 3HZ LYS 59 -10.490 3.727 -11.562 495 H LYS 60 H LYS 60 -8.366 7.749 -7.270 496 HA LYS 60 HA LYS 60 -6.063 8.025 -5.561 497 1HB LYS 60 2HB LYS 60 -5.260 9.297 -7.477 498 2HB LYS 60 1HB LYS 60 -6.740 10.246 -7.502 499 1HG LYS 60 2HG LYS 60 -6.166 11.075 -5.221 500 2HG LYS 60 1HG LYS 60 -4.615 10.250 -5.369 501 1HD LYS 60 2HD LYS 60 -4.049 11.612 -7.300 502 2HD LYS 60 1HD LYS 60 -5.633 12.387 -7.241 503 1HE LYS 60 2HE LYS 60 -5.090 13.263 -5.000 504 2HE LYS 60 1HE LYS 60 -3.488 12.540 -5.123 505 1HZ LYS 60 1HZ LYS 60 -3.047 13.957 -7.049 506 2HZ LYS 60 2HZ LYS 60 -3.443 14.890 -5.684 507 3HZ LYS 60 3HZ LYS 60 -4.588 14.651 -6.910 508 H ILE 61 H ILE 61 -6.850 8.441 -3.618 509 HA ILE 61 HA ILE 61 -9.231 10.138 -3.381 510 HB ILE 61 HB ILE 61 -9.220 9.391 -0.957 511 1HG1 ILE 61 2HG1 ILE 61 -7.298 7.309 -2.025 512 2HG1 ILE 61 1HG1 ILE 61 -6.881 8.593 -0.896 513 1HG2 ILE 61 1HG2 ILE 61 -10.776 8.510 -2.615 514 2HG2 ILE 61 2HG2 ILE 61 -10.313 7.267 -1.453 515 3HG2 ILE 61 3HG2 ILE 61 -9.603 7.273 -3.068 516 1HD1 ILE 61 1HD1 ILE 61 -8.839 6.365 -0.381 517 2HD1 ILE 61 2HD1 ILE 61 -8.394 7.638 0.756 518 3HD1 ILE 61 3HD1 ILE 61 -7.190 6.460 0.233 519 H ASP 62 H ASP 62 -8.909 12.189 -2.893 520 HA ASP 62 HA ASP 62 -6.201 13.076 -2.504 521 1HB ASP 62 2HB ASP 62 -7.903 14.174 -4.032 522 2HB ASP 62 1HB ASP 62 -8.677 14.800 -2.580 523 H ILE 63 H ILE 63 -5.412 12.840 -0.502 524 HA ILE 63 HA ILE 63 -6.882 14.191 1.664 525 HB ILE 63 HB ILE 63 -5.838 12.647 3.281 526 1HG1 ILE 63 2HG1 ILE 63 -4.989 11.074 0.838 527 2HG1 ILE 63 1HG1 ILE 63 -3.902 11.984 1.882 528 1HG2 ILE 63 1HG2 ILE 63 -7.504 11.326 1.148 529 2HG2 ILE 63 2HG2 ILE 63 -8.100 12.233 2.538 530 3HG2 ILE 63 3HG2 ILE 63 -7.259 10.701 2.780 531 1HD1 ILE 63 1HD1 ILE 63 -5.567 9.618 2.711 532 2HD1 ILE 63 2HD1 ILE 63 -4.465 10.526 3.747 533 3HD1 ILE 63 3HD1 ILE 63 -3.836 9.610 2.378 534 H GLN 64 H GLN 64 -4.957 14.188 3.588 535 HA GLN 64 HA GLN 64 -2.744 15.682 2.359 536 1HB GLN 64 2HB GLN 64 -4.227 16.252 4.935 537 2HB GLN 64 1HB GLN 64 -2.822 17.137 4.358 538 1HG GLN 64 2HG GLN 64 -3.985 18.071 2.572 539 2HG GLN 64 1HG GLN 64 -5.292 16.895 2.691 540 1HE2 GLN 64 1HE2 GLN 64 -6.861 18.464 2.809 541 2HE2 GLN 64 2HE2 GLN 64 -7.098 19.444 4.215 542 H LYS 65 H LYS 65 -1.117 16.060 4.473 543 HA LYS 65 HA LYS 65 -0.151 13.362 4.890 544 1HB LYS 65 2HB LYS 65 1.339 15.271 4.199 545 2HB LYS 65 1HB LYS 65 1.118 15.945 5.808 546 1HG LYS 65 2HG LYS 65 2.060 13.863 6.758 547 2HG LYS 65 1HG LYS 65 2.371 13.301 5.115 548 1HD LYS 65 2HD LYS 65 3.762 15.345 4.760 549 2HD LYS 65 1HD LYS 65 3.565 15.710 6.478 550 1HE LYS 65 2HE LYS 65 4.530 13.471 6.991 551 2HE LYS 65 1HE LYS 65 4.845 13.265 5.271 552 1HZ LYS 65 1HZ LYS 65 6.825 14.014 6.332 553 2HZ LYS 65 2HZ LYS 65 6.024 15.313 7.067 554 3HZ LYS 65 3HZ LYS 65 6.238 15.297 5.383 555 HN2 GLY 66 H GLY 66 -0.263 12.233 6.729 556 1HA GLY 66 2HA GLY 66 -0.100 12.339 9.198 557 2HA GLY 66 1HA GLY 66 -1.253 13.664 9.119 558 H ALA 67 H ALA 67 -1.603 10.937 7.016 559 HA ALA 67 HA ALA 67 -4.193 10.350 8.129 560 1HB ALA 67 1HB ALA 67 -2.693 8.943 5.922 561 2HB ALA 67 2HB ALA 67 -3.797 10.301 5.701 562 3HB ALA 67 3HB ALA 67 -4.404 8.759 6.306 563 H SER 68 H SER 68 -4.694 8.816 9.544 564 HA SER 68 HA SER 68 -2.546 7.125 10.546 565 1HB SER 68 2HB SER 68 -4.213 6.673 12.399 566 2HB SER 68 1HB SER 68 -3.685 8.349 12.251 567 HG SER 68 HG SER 68 -5.913 8.315 12.473 568 H ASP 69 H ASP 69 -3.231 4.903 11.290 569 HA ASP 69 HA ASP 69 -3.929 3.267 9.169 570 1HB ASP 69 2HB ASP 69 -2.814 2.143 10.837 571 2HB ASP 69 1HB ASP 69 -3.712 2.933 12.126 572 H GLU 70 H GLU 70 -5.978 4.323 11.876 573 HA GLU 70 HA GLU 70 -8.314 2.986 11.117 574 1HB GLU 70 2HB GLU 70 -7.657 4.408 13.261 575 2HB GLU 70 1HB GLU 70 -8.506 5.676 12.393 576 1HG GLU 70 2HG GLU 70 -10.053 4.639 13.868 577 2HG GLU 70 1HG GLU 70 -10.472 4.160 12.223 578 H GLU 71 H GLU 71 -7.114 6.201 10.276 579 HA GLU 71 HA GLU 71 -9.332 7.110 8.823 580 1HB GLU 71 2HB GLU 71 -7.526 8.593 9.530 581 2HB GLU 71 1HB GLU 71 -6.399 7.759 8.471 582 1HG GLU 71 2HG GLU 71 -6.984 9.763 7.386 583 2HG GLU 71 1HG GLU 71 -7.835 8.473 6.542 584 H VAL 72 H VAL 72 -6.485 5.272 7.783 585 HA VAL 72 HA VAL 72 -7.048 5.295 5.029 586 HB VAL 72 HB VAL 72 -5.587 3.164 6.618 587 1HG1 VAL 72 1HG1 VAL 72 -4.545 2.566 4.490 588 2HG1 VAL 72 2HG1 VAL 72 -5.536 3.765 3.658 589 3HG1 VAL 72 3HG1 VAL 72 -6.296 2.363 4.415 590 1HG2 VAL 72 1HG2 VAL 72 -3.560 4.341 5.866 591 2HG2 VAL 72 2HG2 VAL 72 -4.576 5.345 6.901 592 3HG2 VAL 72 3HG2 VAL 72 -4.573 5.600 5.154 593 H LYS 73 H LYS 73 -7.907 2.898 7.536 594 HA LYS 73 HA LYS 73 -9.360 1.158 5.887 595 1HB LYS 73 2HB LYS 73 -9.399 1.791 8.813 596 2HB LYS 73 1HB LYS 73 -10.619 0.728 8.136 597 1HG LYS 73 2HG LYS 73 -9.010 -0.871 7.478 598 2HG LYS 73 1HG LYS 73 -7.677 0.251 7.766 599 1HD LYS 73 2HD LYS 73 -9.527 -0.757 9.927 600 2HD LYS 73 1HD LYS 73 -7.966 -1.488 9.544 601 1HE LYS 73 2HE LYS 73 -6.825 0.562 10.066 602 2HE LYS 73 1HE LYS 73 -8.357 1.396 10.304 603 1HZ LYS 73 1HZ LYS 73 -7.051 0.575 12.328 604 2HZ LYS 73 2HZ LYS 73 -7.675 -0.957 11.948 605 3HZ LYS 73 3HZ LYS 73 -8.729 0.335 12.294 606 H LYS 74 H LYS 74 -10.330 4.038 7.671 607 HA LYS 74 HA LYS 74 -13.077 4.019 7.213 608 1HB LYS 74 2HB LYS 74 -11.584 5.604 8.629 609 2HB LYS 74 1HB LYS 74 -11.398 6.525 7.149 610 1HG LYS 74 2HG LYS 74 -14.054 5.923 8.435 611 2HG LYS 74 1HG LYS 74 -13.122 7.388 8.724 612 1HD LYS 74 2HD LYS 74 -14.286 6.472 6.096 613 2HD LYS 74 1HD LYS 74 -14.852 7.814 7.089 614 1HE LYS 74 2HE LYS 74 -12.169 7.625 5.723 615 2HE LYS 74 1HE LYS 74 -13.539 8.585 5.175 616 1HZ LYS 74 1HZ LYS 74 -12.129 10.053 6.279 617 2HZ LYS 74 2HZ LYS 74 -11.852 8.998 7.572 618 3HZ LYS 74 3HZ LYS 74 -13.369 9.753 7.396 619 H LYS 75 H LYS 75 -10.434 5.318 5.249 620 HA LYS 75 HA LYS 75 -12.230 6.312 3.235 621 1HB LYS 75 2HB LYS 75 -9.217 6.143 3.284 622 2HB LYS 75 1HB LYS 75 -10.160 7.000 2.074 623 1HG LYS 75 2HG LYS 75 -11.172 8.223 4.147 624 2HG LYS 75 1HG LYS 75 -9.697 7.668 4.940 625 1HD LYS 75 2HD LYS 75 -9.290 9.863 4.093 626 2HD LYS 75 1HD LYS 75 -8.401 8.721 3.082 627 1HE LYS 75 2HE LYS 75 -9.509 10.404 1.713 628 2HE LYS 75 1HE LYS 75 -10.186 8.804 1.412 629 1HZ LYS 75 1HZ LYS 75 -12.083 9.340 2.757 630 2HZ LYS 75 2HZ LYS 75 -11.872 10.570 1.608 631 3HZ LYS 75 3HZ LYS 75 -11.407 10.827 3.216 632 H LEU 76 H LEU 76 -10.398 3.383 3.706 633 HA LEU 76 HA LEU 76 -10.500 2.436 1.050 634 1HB LEU 76 2HB LEU 76 -10.412 1.010 3.704 635 2HB LEU 76 1HB LEU 76 -10.390 0.167 2.173 636 HG LEU 76 HG LEU 76 -8.312 2.137 3.114 637 1HD1 LEU 76 1HD1 LEU 76 -6.849 0.185 3.264 638 2HD1 LEU 76 2HD1 LEU 76 -8.198 -0.863 2.825 639 3HD1 LEU 76 3HD1 LEU 76 -8.236 0.032 4.343 640 1HD2 LEU 76 1HD2 LEU 76 -7.055 1.412 1.133 641 2HD2 LEU 76 2HD2 LEU 76 -8.576 2.193 0.696 642 3HD2 LEU 76 3HD2 LEU 76 -8.434 0.436 0.625 643 H GLU 77 H GLU 77 -12.752 2.450 3.703 644 HA GLU 77 HA GLU 77 -14.719 0.749 2.610 645 1HB GLU 77 2HB GLU 77 -14.420 1.708 5.013 646 2HB GLU 77 1HB GLU 77 -15.320 3.086 4.409 647 1HG GLU 77 2HG GLU 77 -16.360 0.271 4.276 648 2HG GLU 77 1HG GLU 77 -16.634 1.336 5.652 649 H GLU 78 H GLU 78 -14.198 4.255 2.446 650 HA GLU 78 HA GLU 78 -16.462 4.930 0.929 651 1HB GLU 78 2HB GLU 78 -13.732 6.227 0.879 652 2HB GLU 78 1HB GLU 78 -15.224 6.951 0.299 653 1HG GLU 78 2HG GLU 78 -16.117 6.958 2.560 654 2HG GLU 78 1HG GLU 78 -14.641 6.188 3.150 655 H SER 79 H SER 79 -13.215 3.947 -0.017 656 HA SER 79 HA SER 79 -13.649 4.341 -2.808 657 1HB SER 79 2HB SER 79 -11.447 2.787 -1.440 658 2HB SER 79 1HB SER 79 -11.415 3.484 -3.055 659 HG SER 79 HG SER 79 -11.416 4.832 -0.565 660 H ASN 80 H ASN 80 -14.378 1.829 -0.623 661 HA ASN 80 HA ASN 80 -15.152 -0.297 -0.824 662 1HB ASN 80 2HB ASN 80 -15.573 0.569 -3.689 663 2HB ASN 80 1HB ASN 80 -16.094 -0.991 -3.063 664 1HD2 ASN 80 1HD2 ASN 80 -16.902 -0.035 -0.476 665 2HD2 ASN 80 2HD2 ASN 80 -18.337 0.903 -0.712 666 H LEU 81 H LEU 81 -12.334 0.443 -1.284 667 HA LEU 81 HA LEU 81 -11.371 -1.537 -3.199 668 1HB LEU 81 2HB LEU 81 -10.454 0.796 -3.095 669 2HB LEU 81 1HB LEU 81 -9.806 0.421 -1.511 670 HG LEU 81 HG LEU 81 -8.424 -1.376 -2.561 671 1HD1 LEU 81 1HD1 LEU 81 -9.436 -0.153 -5.125 672 2HD1 LEU 81 2HD1 LEU 81 -9.770 -1.783 -4.539 673 3HD1 LEU 81 3HD1 LEU 81 -8.129 -1.330 -4.993 674 1HD2 LEU 81 1HD2 LEU 81 -8.028 1.402 -3.663 675 2HD2 LEU 81 2HD2 LEU 81 -6.796 0.145 -3.544 676 3HD2 LEU 81 3HD2 LEU 81 -7.500 0.830 -2.080 677 H THR 82 H THR 82 -12.355 -1.588 -0.113 678 HA THR 82 HA THR 82 -10.365 -2.676 1.455 679 HB THR 82 HB THR 82 -13.259 -3.519 1.583 680 HG1 THR 82 HG1 THR 82 -13.704 -1.589 2.521 681 1HG2 THR 82 1HG2 THR 82 -12.829 -3.581 4.004 682 2HG2 THR 82 2HG2 THR 82 -11.150 -3.123 3.715 683 3HG2 THR 82 3HG2 THR 82 -11.756 -4.673 3.129 684 H GLU 83 H GLU 83 -12.587 -4.365 -0.754 685 HA GLU 83 HA GLU 83 -11.832 -6.969 -0.036 686 1HB GLU 83 2HB GLU 83 -13.037 -5.861 -2.566 687 2HB GLU 83 1HB GLU 83 -12.822 -7.571 -2.262 688 1HG GLU 83 2HG GLU 83 -14.260 -7.373 -0.273 689 2HG GLU 83 1HG GLU 83 -14.526 -5.676 -0.674 690 H TYR 84 H TYR 84 -10.571 -4.734 -2.471 691 HA TYR 84 HA TYR 84 -8.963 -6.722 -3.758 692 1HB TYR 84 2HB TYR 84 -9.915 -4.605 -4.818 693 2HB TYR 84 1HB TYR 84 -8.623 -3.735 -3.997 694 HD1 TYR 84 HD2 TYR 84 -9.302 -6.401 -6.481 695 HD2 TYR 84 HD1 TYR 84 -6.441 -3.663 -4.923 696 HE1 TYR 84 HE2 TYR 84 -7.801 -6.909 -8.361 697 HE2 TYR 84 HE1 TYR 84 -4.934 -4.165 -6.802 698 HH TYR 84 HH TYR 84 -4.529 -5.919 -8.441 699 H MET 85 H MET 85 -8.494 -4.377 -1.215 700 HA MET 85 HA MET 85 -5.629 -4.620 -1.163 701 1HB MET 85 2HB MET 85 -7.269 -2.716 -0.265 702 2HB MET 85 1HB MET 85 -7.169 -3.664 1.209 703 1HG MET 85 2HG MET 85 -4.809 -2.526 -0.274 704 2HG MET 85 1HG MET 85 -5.568 -1.799 1.138 705 1HE MET 85 1HE MET 85 -3.216 -1.687 2.361 706 2HE MET 85 2HE MET 85 -2.457 -2.403 0.940 707 3HE MET 85 3HE MET 85 -2.139 -3.073 2.540 708 H LYS 86 H LYS 86 -8.358 -6.004 0.560 709 HA LYS 86 HA LYS 86 -6.797 -7.458 2.464 710 1HB LYS 86 2HB LYS 86 -9.113 -6.778 2.895 711 2HB LYS 86 1HB LYS 86 -9.669 -7.808 1.586 712 1HG LYS 86 2HG LYS 86 -9.008 -9.782 2.791 713 2HG LYS 86 1HG LYS 86 -8.275 -8.797 4.062 714 1HD LYS 86 2HD LYS 86 -10.449 -9.575 4.787 715 2HD LYS 86 1HD LYS 86 -10.490 -7.827 4.552 716 1HE LYS 86 2HE LYS 86 -11.424 -8.281 2.251 717 2HE LYS 86 1HE LYS 86 -11.603 -9.964 2.745 718 1HZ LYS 86 1HZ LYS 86 -13.010 -7.581 3.761 719 2HZ LYS 86 2HZ LYS 86 -12.887 -8.970 4.718 720 3HZ LYS 86 3HZ LYS 86 -13.661 -9.043 3.205 721 H GLU 87 H GLU 87 -8.100 -8.118 -0.713 722 HA GLU 87 HA GLU 87 -7.529 -10.934 -0.664 723 1HB GLU 87 2HB GLU 87 -9.061 -9.245 -2.253 724 2HB GLU 87 1HB GLU 87 -7.728 -9.688 -3.306 725 1HG GLU 87 2HG GLU 87 -9.304 -11.759 -1.821 726 2HG GLU 87 1HG GLU 87 -9.847 -11.112 -3.367 727 H LYS 88 H LYS 88 -6.172 -11.593 -2.829 728 HA LYS 88 HA LYS 88 -4.167 -11.710 -3.900 729 1HB LYS 88 2HB LYS 88 -4.558 -9.043 -3.843 730 2HB LYS 88 1HB LYS 88 -3.148 -9.139 -2.804 731 1HG LYS 88 2HG LYS 88 -2.311 -8.733 -4.949 732 2HG LYS 88 1HG LYS 88 -2.045 -10.457 -4.678 733 1HD LYS 88 2HD LYS 88 -4.010 -11.000 -5.977 734 2HD LYS 88 1HD LYS 88 -4.395 -9.287 -6.166 735 1HE LYS 88 2HE LYS 88 -2.286 -8.973 -7.393 736 2HE LYS 88 1HE LYS 88 -1.951 -10.695 -7.238 737 1HZ LYS 88 1HZ LYS 88 -4.187 -9.432 -8.734 738 2HZ LYS 88 2HZ LYS 88 -4.072 -11.097 -8.442 739 3HZ LYS 88 3HZ LYS 88 -2.885 -10.316 -9.375 740 H ILE 89 H ILE 89 -1.620 -11.140 -3.111 741 HA ILE 89 HA ILE 89 -1.352 -12.898 -0.857 742 HB ILE 89 HB ILE 89 0.805 -11.445 -2.402 743 1HG1 ILE 89 2HG1 ILE 89 1.160 -13.901 -3.252 744 2HG1 ILE 89 1HG1 ILE 89 -0.519 -14.112 -2.778 745 1HG2 ILE 89 1HG2 ILE 89 1.036 -13.782 -0.512 746 2HG2 ILE 89 2HG2 ILE 89 1.548 -12.128 -0.177 747 3HG2 ILE 89 3HG2 ILE 89 2.353 -13.062 -1.439 748 1HD1 ILE 89 1HD1 ILE 89 -1.198 -12.372 -4.315 749 2HD1 ILE 89 2HD1 ILE 89 -0.267 -13.606 -5.157 750 3HD1 ILE 89 3HD1 ILE 89 0.484 -12.067 -4.743 751 H LYS 90 H LYS 90 -0.440 -12.426 1.141 752 HA LYS 90 HA LYS 90 0.192 -9.663 1.804 753 1HB LYS 90 2HB LYS 90 -1.349 -9.882 3.856 754 2HB LYS 90 1HB LYS 90 -2.084 -9.522 2.302 755 1HG LYS 90 2HG LYS 90 -2.475 -12.039 2.098 756 2HG LYS 90 1HG LYS 90 -2.106 -12.105 3.824 757 1HD LYS 90 2HD LYS 90 -3.928 -10.663 4.344 758 2HD LYS 90 1HD LYS 90 -4.194 -10.284 2.643 759 1HE LYS 90 2HE LYS 90 -4.724 -12.700 2.274 760 2HE LYS 90 1HE LYS 90 -4.652 -12.926 4.022 761 1HZ LYS 90 1HZ LYS 90 -6.456 -11.369 4.288 762 2HZ LYS 90 2HZ LYS 90 -6.922 -12.588 3.200 763 3HZ LYS 90 3HZ LYS 90 -6.485 -11.055 2.621 764 H ILE 91 H ILE 91 1.866 -9.574 3.166 765 HA ILE 91 HA ILE 91 2.970 -12.103 4.053 766 HB ILE 91 HB ILE 91 4.155 -9.324 4.037 767 1HG1 ILE 91 2HG1 ILE 91 5.757 -10.521 2.396 768 2HG1 ILE 91 1HG1 ILE 91 4.520 -11.767 2.308 769 1HG2 ILE 91 1HG2 ILE 91 5.431 -11.921 4.880 770 2HG2 ILE 91 2HG2 ILE 91 5.058 -10.547 5.921 771 3HG2 ILE 91 3HG2 ILE 91 6.279 -10.390 4.659 772 1HD1 ILE 91 1HD1 ILE 91 4.163 -8.868 1.581 773 2HD1 ILE 91 2HD1 ILE 91 2.922 -10.118 1.485 774 3HD1 ILE 91 3HD1 ILE 91 4.349 -10.213 0.454 775 H ARG 92 H ARG 92 2.310 -12.852 5.901 776 HA ARG 92 HA ARG 92 1.919 -13.106 8.112 777 1HB ARG 92 2HB ARG 92 4.211 -11.731 8.036 778 2HB ARG 92 1HB ARG 92 3.212 -10.521 8.826 779 1HG ARG 92 2HG ARG 92 3.593 -13.343 9.807 780 2HG ARG 92 1HG ARG 92 4.466 -11.933 10.408 781 1HD ARG 92 2HD ARG 92 2.393 -10.945 11.183 782 2HD ARG 92 1HD ARG 92 1.472 -12.285 10.502 783 HE ARG 92 HE ARG 92 3.215 -13.506 12.201 784 1HH1 ARG 92 1HH1 ARG 92 0.899 -10.893 12.555 785 2HH1 ARG 92 2HH1 ARG 92 0.556 -11.261 14.225 786 1HH2 ARG 92 1HH2 ARG 92 2.765 -13.974 14.411 787 2HH2 ARG 92 2HH2 ARG 92 1.604 -12.996 15.264 788 H MET 93 H MET 93 -0.286 -12.835 7.790 789 HA MET 93 HA MET 93 -1.536 -10.259 8.074 790 1HB MET 93 2HB MET 93 -3.641 -11.512 7.917 791 2HB MET 93 1HB MET 93 -2.537 -11.960 6.628 792 1HG MET 93 2HG MET 93 -2.888 -13.566 9.151 793 2HG MET 93 1HG MET 93 -3.806 -13.848 7.673 794 1HE MET 93 1HE MET 93 -2.043 -16.078 9.177 795 2HE MET 93 2HE MET 93 -1.304 -16.870 7.785 796 3HE MET 93 3HE MET 93 -2.997 -16.382 7.727 797 HA PRO 94 HA PRO 94 -2.085 -10.238 12.445 798 1HB PRO 94 2HB PRO 94 -4.789 -9.173 12.241 799 2HB PRO 94 1HB PRO 94 -3.307 -8.352 12.737 800 1HG PRO 94 2HG PRO 94 -4.591 -7.796 10.413 801 2HG PRO 94 1HG PRO 94 -2.836 -7.635 10.609 802 1HD PRO 94 2HD PRO 94 -4.406 -9.840 9.328 803 2HD PRO 94 1HD PRO 94 -2.890 -9.077 8.796 804 H THR 95 H THR 95 -4.130 -12.088 10.500 805 HA THR 95 HA THR 95 -5.685 -13.161 12.706 806 HB THR 95 HB THR 95 -5.696 -13.974 9.793 807 HG1 THR 95 HG1 THR 95 -7.066 -11.971 11.256 808 1HG2 THR 95 1HG2 THR 95 -7.916 -14.898 10.328 809 2HG2 THR 95 2HG2 THR 95 -7.677 -14.468 12.022 810 3HG2 THR 95 3HG2 THR 95 -6.640 -15.678 11.265 811 H LEU 96 H LEU 96 -4.353 -14.341 13.983 812 HA LEU 96 HA LEU 96 -3.126 -16.708 12.751 813 1HB LEU 96 2HB LEU 96 -1.383 -15.052 13.319 814 2HB LEU 96 1HB LEU 96 -1.943 -15.046 14.980 815 HG LEU 96 HG LEU 96 -1.336 -17.459 15.145 816 1HD1 LEU 96 1HD1 LEU 96 0.126 -18.413 13.431 817 2HD1 LEU 96 2HD1 LEU 96 -0.112 -16.979 12.434 818 3HD1 LEU 96 3HD1 LEU 96 -1.475 -18.039 12.791 819 1HD2 LEU 96 1HD2 LEU 96 0.899 -15.603 14.340 820 2HD2 LEU 96 2HD2 LEU 96 1.070 -17.085 15.282 821 3HD2 LEU 96 3HD2 LEU 96 0.175 -15.717 15.944 Start of MODEL 5 1 1H MET 1 1H MET 1 -2.745 9.750 -15.615 2 2H MET 1 2H MET 1 -3.286 11.187 -16.334 3 3H MET 1 3H MET 1 -3.784 10.788 -14.769 4 HA MET 1 HA MET 1 -1.021 11.421 -15.604 5 1HB MET 1 2HB MET 1 -2.401 13.419 -15.511 6 2HB MET 1 1HB MET 1 -3.038 12.949 -13.940 7 1HG MET 1 2HG MET 1 -0.806 13.195 -12.968 8 2HG MET 1 1HG MET 1 -0.181 13.681 -14.542 9 1HE MET 1 1HE MET 1 0.092 15.340 -11.762 10 2HE MET 1 2HE MET 1 -0.162 16.980 -12.357 11 3HE MET 1 3HE MET 1 0.830 15.856 -13.281 12 HA PRO 2 HA PRO 2 -0.107 8.765 -12.112 13 1HB PRO 2 2HB PRO 2 2.577 9.360 -12.061 14 2HB PRO 2 1HB PRO 2 1.848 8.152 -13.126 15 1HG PRO 2 2HG PRO 2 2.634 10.976 -13.720 16 2HG PRO 2 1HG PRO 2 2.824 9.522 -14.720 17 1HD PRO 2 2HD PRO 2 0.862 11.309 -15.160 18 2HD PRO 2 1HD PRO 2 0.627 9.571 -15.430 19 H ALA 3 H ALA 3 -0.612 9.399 -10.123 20 HA ALA 3 HA ALA 3 0.112 12.087 -9.249 21 1HB ALA 3 1HB ALA 3 -2.223 11.462 -9.019 22 2HB ALA 3 2HB ALA 3 -1.499 11.698 -7.428 23 3HB ALA 3 3HB ALA 3 -1.773 10.067 -8.040 24 H ILE 4 H ILE 4 2.105 12.163 -8.406 25 HA ILE 4 HA ILE 4 2.940 10.054 -6.532 26 HB ILE 4 HB ILE 4 4.560 12.342 -7.672 27 1HG1 ILE 4 2HG1 ILE 4 3.902 10.754 -9.420 28 2HG1 ILE 4 1HG1 ILE 4 5.626 10.633 -9.089 29 1HG2 ILE 4 1HG2 ILE 4 5.402 11.581 -5.523 30 2HG2 ILE 4 2HG2 ILE 4 6.500 11.102 -6.819 31 3HG2 ILE 4 3HG2 ILE 4 5.414 9.914 -6.098 32 1HD1 ILE 4 1HD1 ILE 4 3.507 8.763 -8.063 33 2HD1 ILE 4 2HD1 ILE 4 5.240 8.631 -7.758 34 3HD1 ILE 4 3HD1 ILE 4 4.613 8.444 -9.398 35 H GLU 5 H GLU 5 1.787 10.555 -4.730 36 HA GLU 5 HA GLU 5 2.653 12.746 -3.118 37 1HB GLU 5 2HB GLU 5 0.385 13.767 -2.885 38 2HB GLU 5 1HB GLU 5 1.097 14.002 -4.476 39 1HG GLU 5 2HG GLU 5 -0.272 12.223 -5.381 40 2HG GLU 5 1HG GLU 5 -0.950 11.903 -3.785 41 H VAL 6 H VAL 6 0.707 12.811 -1.217 42 HA VAL 6 HA VAL 6 0.916 10.256 0.007 43 HB VAL 6 HB VAL 6 -0.536 11.172 1.772 44 1HG1 VAL 6 1HG1 VAL 6 1.851 11.601 1.859 45 2HG1 VAL 6 2HG1 VAL 6 0.957 12.989 2.477 46 3HG1 VAL 6 3HG1 VAL 6 1.647 13.039 0.857 47 1HG2 VAL 6 1HG2 VAL 6 -1.304 13.489 1.661 48 2HG2 VAL 6 2HG2 VAL 6 -2.026 12.516 0.379 49 3HG2 VAL 6 3HG2 VAL 6 -0.697 13.616 0.010 50 HN2 GLY 7 H GLY 7 -0.569 8.663 0.257 51 1HA GLY 7 2HA GLY 7 -2.607 7.555 -0.056 52 2HA GLY 7 1HA GLY 7 -3.220 8.964 -0.907 53 H ARG 8 H ARG 8 -0.187 8.145 -2.048 54 HA ARG 8 HA ARG 8 -1.208 7.208 -4.549 55 1HB ARG 8 2HB ARG 8 0.845 8.596 -4.350 56 2HB ARG 8 1HB ARG 8 1.645 7.264 -3.534 57 1HG ARG 8 2HG ARG 8 0.563 6.403 -6.056 58 2HG ARG 8 1HG ARG 8 1.614 7.804 -6.263 59 1HD ARG 8 2HD ARG 8 3.253 6.521 -4.742 60 2HD ARG 8 1HD ARG 8 2.264 5.109 -5.116 61 HE ARG 8 HE ARG 8 2.943 6.400 -7.512 62 1HH1 ARG 8 1HH1 ARG 8 4.438 4.505 -4.979 63 2HH1 ARG 8 2HH1 ARG 8 5.733 3.940 -5.986 64 1HH2 ARG 8 1HH2 ARG 8 4.676 5.657 -8.858 65 2HH2 ARG 8 2HH2 ARG 8 5.862 4.583 -8.175 66 H ILE 9 H ILE 9 -2.076 5.265 -4.646 67 HA ILE 9 HA ILE 9 -1.141 3.075 -3.017 68 HB ILE 9 HB ILE 9 -3.230 3.064 -5.201 69 1HG1 ILE 9 2HG1 ILE 9 -3.609 3.351 -2.213 70 2HG1 ILE 9 1HG1 ILE 9 -3.702 4.685 -3.357 71 1HG2 ILE 9 1HG2 ILE 9 -2.707 1.138 -2.941 72 2HG2 ILE 9 2HG2 ILE 9 -2.392 0.846 -4.651 73 3HG2 ILE 9 3HG2 ILE 9 -4.050 1.042 -4.081 74 1HD1 ILE 9 1HD1 ILE 9 -5.909 3.915 -2.744 75 2HD1 ILE 9 2HD1 ILE 9 -5.510 2.284 -3.281 76 3HD1 ILE 9 3HD1 ILE 9 -5.599 3.599 -4.450 77 H CYS 10 H CYS 10 0.415 1.712 -3.596 78 HA CYS 10 HA CYS 10 0.885 1.183 -6.431 79 1HB CYS 10 2HB CYS 10 3.384 1.438 -5.949 80 2HB CYS 10 1HB CYS 10 2.442 2.921 -6.089 81 HG CYS 10 HG CYS 10 2.427 2.016 -2.945 82 H VAL 11 H VAL 11 2.162 -0.717 -6.828 83 HA VAL 11 HA VAL 11 2.163 -2.577 -4.543 84 HB VAL 11 HB VAL 11 0.461 -3.163 -6.214 85 1HG1 VAL 11 1HG1 VAL 11 1.493 -2.221 -8.195 86 2HG1 VAL 11 2HG1 VAL 11 1.103 -3.923 -8.450 87 3HG1 VAL 11 3HG1 VAL 11 2.768 -3.436 -8.130 88 1HG2 VAL 11 1HG2 VAL 11 1.510 -4.945 -4.934 89 2HG2 VAL 11 2HG2 VAL 11 2.760 -5.106 -6.166 90 3HG2 VAL 11 3HG2 VAL 11 1.083 -5.493 -6.555 91 H LYS 12 H LYS 12 3.886 -4.011 -4.357 92 HA LYS 12 HA LYS 12 6.408 -2.995 -5.247 93 1HB LYS 12 2HB LYS 12 5.874 -4.203 -3.042 94 2HB LYS 12 1HB LYS 12 5.940 -5.690 -3.971 95 1HG LYS 12 2HG LYS 12 8.052 -5.397 -2.919 96 2HG LYS 12 1HG LYS 12 8.266 -5.085 -4.644 97 1HD LYS 12 2HD LYS 12 8.226 -2.701 -4.258 98 2HD LYS 12 1HD LYS 12 7.872 -2.950 -2.546 99 1HE LYS 12 2HE LYS 12 10.038 -4.109 -2.302 100 2HE LYS 12 1HE LYS 12 10.390 -3.766 -3.994 101 1HZ LYS 12 1HZ LYS 12 11.422 -2.188 -2.413 102 2HZ LYS 12 2HZ LYS 12 9.877 -1.682 -1.945 103 3HZ LYS 12 3HZ LYS 12 10.399 -1.430 -3.532 104 H VAL 13 H VAL 13 7.506 -3.526 -7.045 105 HA VAL 13 HA VAL 13 6.565 -5.836 -8.578 106 HB VAL 13 HB VAL 13 6.053 -3.751 -9.732 107 1HG1 VAL 13 1HG1 VAL 13 7.776 -2.320 -8.802 108 2HG1 VAL 13 2HG1 VAL 13 7.802 -2.265 -10.564 109 3HG1 VAL 13 3HG1 VAL 13 9.016 -3.202 -9.693 110 1HG2 VAL 13 1HG2 VAL 13 7.138 -4.231 -11.883 111 2HG2 VAL 13 2HG2 VAL 13 6.562 -5.694 -11.085 112 3HG2 VAL 13 3HG2 VAL 13 8.279 -5.294 -11.059 113 H LYS 14 H LYS 14 8.088 -6.727 -6.916 114 HA LYS 14 HA LYS 14 10.901 -6.609 -7.561 115 1HB LYS 14 2HB LYS 14 11.176 -8.258 -5.779 116 2HB LYS 14 1HB LYS 14 10.159 -6.934 -5.239 117 1HG LYS 14 2HG LYS 14 8.170 -8.383 -5.729 118 2HG LYS 14 1HG LYS 14 9.296 -9.712 -6.012 119 1HD LYS 14 2HD LYS 14 10.184 -9.401 -3.727 120 2HD LYS 14 1HD LYS 14 8.982 -8.141 -3.454 121 1HE LYS 14 2HE LYS 14 8.052 -10.073 -2.498 122 2HE LYS 14 1HE LYS 14 7.242 -9.907 -4.055 123 1HZ LYS 14 1HZ LYS 14 8.928 -11.515 -4.933 124 2HZ LYS 14 2HZ LYS 14 7.827 -12.166 -3.821 125 3HZ LYS 14 3HZ LYS 14 9.415 -11.794 -3.335 126 HN2 GLY 15 H GLY 15 8.814 -7.588 -9.509 127 1HA GLY 15 2HA GLY 15 9.993 -9.198 -11.184 128 2HA GLY 15 1HA GLY 15 9.639 -10.364 -9.915 129 H ARG 16 H ARG 16 8.153 -11.599 -10.978 130 HA ARG 16 HA ARG 16 5.824 -10.320 -12.180 131 1HB ARG 16 2HB ARG 16 6.686 -13.207 -11.948 132 2HB ARG 16 1HB ARG 16 5.155 -12.713 -12.661 133 1HG ARG 16 2HG ARG 16 6.276 -11.520 -14.402 134 2HG ARG 16 1HG ARG 16 7.845 -11.785 -13.637 135 1HD ARG 16 2HD ARG 16 6.048 -13.991 -14.629 136 2HD ARG 16 1HD ARG 16 7.360 -13.290 -15.575 137 HE ARG 16 HE ARG 16 7.787 -14.671 -12.993 138 1HH1 ARG 16 1HH1 ARG 16 8.655 -14.016 -16.326 139 2HH1 ARG 16 2HH1 ARG 16 10.090 -15.006 -16.276 140 1HH2 ARG 16 1HH2 ARG 16 9.664 -15.950 -12.918 141 2HH2 ARG 16 2HH2 ARG 16 10.680 -16.083 -14.325 142 H GLU 17 H GLU 17 6.818 -11.348 -9.191 143 HA GLU 17 HA GLU 17 4.186 -12.108 -8.213 144 1HB GLU 17 2HB GLU 17 6.259 -13.319 -7.519 145 2HB GLU 17 1HB GLU 17 6.803 -11.852 -6.722 146 1HG GLU 17 2HG GLU 17 4.859 -11.952 -5.237 147 2HG GLU 17 1HG GLU 17 4.343 -13.441 -6.034 148 H ALA 18 H ALA 18 2.924 -10.312 -8.138 149 HA ALA 18 HA ALA 18 3.907 -8.071 -6.500 150 1HB ALA 18 1HB ALA 18 2.719 -6.517 -7.971 151 2HB ALA 18 2HB ALA 18 2.246 -7.862 -9.009 152 3HB ALA 18 3HB ALA 18 3.947 -7.429 -8.848 153 HN2 GLY 19 H GLY 19 2.821 -8.915 -4.697 154 1HA GLY 19 2HA GLY 19 -0.080 -8.378 -4.801 155 2HA GLY 19 1HA GLY 19 0.579 -9.706 -3.853 156 H SER 20 H SER 20 2.893 -7.582 -3.478 157 HA SER 20 HA SER 20 2.013 -6.719 -0.892 158 1HB SER 20 2HB SER 20 4.514 -5.909 -2.389 159 2HB SER 20 1HB SER 20 4.248 -5.839 -0.649 160 HG SER 20 HG SER 20 4.426 -8.001 -0.512 161 H LYS 21 H LYS 21 0.567 -5.122 -0.807 162 HA LYS 21 HA LYS 21 0.766 -2.909 -2.722 163 1HB LYS 21 2HB LYS 21 -1.523 -3.474 -0.836 164 2HB LYS 21 1HB LYS 21 -1.530 -2.459 -2.272 165 1HG LYS 21 2HG LYS 21 -1.366 -4.353 -3.703 166 2HG LYS 21 1HG LYS 21 -1.113 -5.435 -2.333 167 1HD LYS 21 2HD LYS 21 -3.422 -4.478 -1.549 168 2HD LYS 21 1HD LYS 21 -3.600 -4.070 -3.257 169 1HE LYS 21 2HE LYS 21 -4.581 -6.209 -2.935 170 2HE LYS 21 1HE LYS 21 -3.059 -6.450 -3.791 171 1HZ LYS 21 1HZ LYS 21 -2.020 -7.083 -1.710 172 2HZ LYS 21 2HZ LYS 21 -3.366 -8.062 -2.012 173 3HZ LYS 21 3HZ LYS 21 -3.470 -6.815 -0.870 174 H CYS 22 H CYS 22 1.254 -0.895 -2.057 175 HA CYS 22 HA CYS 22 1.203 -0.304 0.811 176 1HB CYS 22 2HB CYS 22 3.625 0.180 -0.939 177 2HB CYS 22 1HB CYS 22 3.471 0.586 0.763 178 HG CYS 22 HG CYS 22 2.831 -2.476 0.869 179 H VAL 23 H VAL 23 1.079 1.891 1.284 180 HA VAL 23 HA VAL 23 0.451 3.643 -1.002 181 HB VAL 23 HB VAL 23 -0.943 3.581 1.688 182 1HG1 VAL 23 1HG1 VAL 23 -1.532 5.256 -0.748 183 2HG1 VAL 23 2HG1 VAL 23 -0.813 5.833 0.755 184 3HG1 VAL 23 3HG1 VAL 23 -2.468 5.225 0.747 185 1HG2 VAL 23 1HG2 VAL 23 -1.558 1.678 0.299 186 2HG2 VAL 23 2HG2 VAL 23 -1.956 2.763 -1.032 187 3HG2 VAL 23 3HG2 VAL 23 -2.906 2.804 0.455 188 H ILE 24 H ILE 24 1.367 5.656 -0.955 189 HA ILE 24 HA ILE 24 3.415 6.250 0.923 190 HB ILE 24 HB ILE 24 2.035 8.171 -0.967 191 1HG1 ILE 24 2HG1 ILE 24 4.495 6.444 -1.342 192 2HG1 ILE 24 1HG1 ILE 24 2.980 6.328 -2.233 193 1HG2 ILE 24 1HG2 ILE 24 4.715 8.340 0.410 194 2HG2 ILE 24 2HG2 ILE 24 3.280 9.281 0.817 195 3HG2 ILE 24 3HG2 ILE 24 4.071 9.509 -0.742 196 1HD1 ILE 24 1HD1 ILE 24 4.660 7.395 -3.582 197 2HD1 ILE 24 2HD1 ILE 24 4.938 8.608 -2.332 198 3HD1 ILE 24 3HD1 ILE 24 3.393 8.555 -3.180 199 H VAL 25 H VAL 25 2.954 6.650 3.001 200 HA VAL 25 HA VAL 25 0.621 8.331 3.610 201 HB VAL 25 HB VAL 25 2.080 6.420 5.422 202 1HG1 VAL 25 1HG1 VAL 25 1.137 8.268 6.679 203 2HG1 VAL 25 2HG1 VAL 25 0.212 6.796 6.978 204 3HG1 VAL 25 3HG1 VAL 25 -0.425 8.032 5.891 205 1HG2 VAL 25 1HG2 VAL 25 0.833 5.243 3.707 206 2HG2 VAL 25 2HG2 VAL 25 -0.611 6.185 4.082 207 3HG2 VAL 25 3HG2 VAL 25 0.041 5.059 5.272 208 H ASP 26 H ASP 26 4.064 7.899 4.219 209 HA ASP 26 HA ASP 26 4.176 10.694 5.081 210 1HB ASP 26 2HB ASP 26 4.143 9.391 7.153 211 2HB ASP 26 1HB ASP 26 5.487 8.412 6.575 212 H ILE 27 H ILE 27 6.068 11.753 4.541 213 HA ILE 27 HA ILE 27 7.845 10.249 2.733 214 HB ILE 27 HB ILE 27 7.113 13.183 2.615 215 1HG1 ILE 27 2HG1 ILE 27 6.398 10.903 0.751 216 2HG1 ILE 27 1HG1 ILE 27 5.295 11.661 1.896 217 1HG2 ILE 27 1HG2 ILE 27 8.868 11.528 0.801 218 2HG2 ILE 27 2HG2 ILE 27 9.400 12.813 1.883 219 3HG2 ILE 27 3HG2 ILE 27 8.371 13.191 0.502 220 1HD1 ILE 27 1HD1 ILE 27 5.501 13.772 0.697 221 2HD1 ILE 27 2HD1 ILE 27 4.927 12.480 -0.359 222 3HD1 ILE 27 3HD1 ILE 27 6.607 13.016 -0.451 223 H ILE 28 H ILE 28 9.777 9.926 3.565 224 HA ILE 28 HA ILE 28 10.803 11.769 5.593 225 HB ILE 28 HB ILE 28 11.796 9.030 4.766 226 1HG1 ILE 28 2HG1 ILE 28 11.211 8.556 7.231 227 2HG1 ILE 28 1HG1 ILE 28 10.268 10.039 7.159 228 1HG2 ILE 28 1HG2 ILE 28 13.359 9.200 6.647 229 2HG2 ILE 28 2HG2 ILE 28 12.851 10.868 6.909 230 3HG2 ILE 28 3HG2 ILE 28 13.672 10.420 5.414 231 1HD1 ILE 28 1HD1 ILE 28 9.874 7.592 5.454 232 2HD1 ILE 28 2HD1 ILE 28 8.935 9.082 5.341 233 3HD1 ILE 28 3HD1 ILE 28 8.867 8.105 6.808 234 H ASP 29 H ASP 29 12.164 9.947 2.846 235 HA ASP 29 HA ASP 29 13.983 12.213 2.375 236 1HB ASP 29 2HB ASP 29 14.810 9.778 2.860 237 2HB ASP 29 1HB ASP 29 14.360 9.475 1.189 238 H ASP 30 H ASP 30 14.684 11.338 -0.270 239 HA ASP 30 HA ASP 30 12.493 12.580 -1.686 240 1HB ASP 30 2HB ASP 30 14.854 13.104 -2.219 241 2HB ASP 30 1HB ASP 30 15.086 11.446 -2.757 242 H ASN 31 H ASN 31 14.272 9.524 -2.102 243 HA ASN 31 HA ASN 31 12.000 8.417 -3.572 244 1HB ASN 31 2HB ASN 31 14.510 8.199 -4.234 245 2HB ASN 31 1HB ASN 31 14.572 6.971 -2.979 246 1HD2 ASN 31 1HD2 ASN 31 15.046 6.650 -5.761 247 2HD2 ASN 31 2HD2 ASN 31 13.883 5.524 -6.361 248 H PHE 32 H PHE 32 13.744 8.096 -0.564 249 HA PHE 32 HA PHE 32 12.374 5.658 0.180 250 1HB PHE 32 2HB PHE 32 14.237 7.393 1.815 251 2HB PHE 32 1HB PHE 32 13.703 5.768 2.227 252 HD1 PHE 32 HD1 PHE 32 14.276 3.908 0.520 253 HD2 PHE 32 HD2 PHE 32 16.215 7.694 0.665 254 HE1 PHE 32 HE1 PHE 32 16.198 2.967 -0.692 255 HE2 PHE 32 HE2 PHE 32 18.138 6.759 -0.552 256 HZ PHE 32 HZ PHE 32 18.134 4.395 -1.232 257 H VAL 33 H VAL 33 10.286 5.899 0.652 258 HA VAL 33 HA VAL 33 9.553 8.029 2.552 259 HB VAL 33 HB VAL 33 7.309 8.059 1.601 260 1HG1 VAL 33 1HG1 VAL 33 9.429 8.368 -0.523 261 2HG1 VAL 33 2HG1 VAL 33 8.939 9.591 0.649 262 3HG1 VAL 33 3HG1 VAL 33 7.802 9.048 -0.586 263 1HG2 VAL 33 1HG2 VAL 33 6.760 6.823 -0.438 264 2HG2 VAL 33 2HG2 VAL 33 7.176 5.729 0.882 265 3HG2 VAL 33 3HG2 VAL 33 8.342 6.050 -0.400 266 H LEU 34 H LEU 34 7.450 7.400 3.743 267 HA LEU 34 HA LEU 34 7.810 4.645 4.687 268 1HB LEU 34 2HB LEU 34 7.965 6.418 6.386 269 2HB LEU 34 1HB LEU 34 6.352 6.961 5.965 270 HG LEU 34 HG LEU 34 5.465 4.751 6.703 271 1HD1 LEU 34 1HD1 LEU 34 8.289 4.331 7.675 272 2HD1 LEU 34 2HD1 LEU 34 7.471 3.416 6.409 273 3HD1 LEU 34 3HD1 LEU 34 6.902 3.318 8.074 274 1HD2 LEU 34 1HD2 LEU 34 7.030 6.327 8.741 275 2HD2 LEU 34 2HD2 LEU 34 5.724 5.198 9.103 276 3HD2 LEU 34 3HD2 LEU 34 5.393 6.667 8.183 277 H VAL 35 H VAL 35 6.490 3.224 3.842 278 HA VAL 35 HA VAL 35 3.749 4.054 3.179 279 HB VAL 35 HB VAL 35 3.658 2.141 1.641 280 1HG1 VAL 35 1HG1 VAL 35 4.327 4.305 0.754 281 2HG1 VAL 35 2HG1 VAL 35 5.186 3.009 -0.079 282 3HG1 VAL 35 3HG1 VAL 35 6.010 3.966 1.150 283 1HG2 VAL 35 1HG2 VAL 35 6.567 1.758 2.350 284 2HG2 VAL 35 2HG2 VAL 35 5.700 0.900 1.076 285 3HG2 VAL 35 3HG2 VAL 35 5.244 0.670 2.764 286 H THR 36 H THR 36 2.052 2.639 3.801 287 HA THR 36 HA THR 36 2.748 0.372 5.454 288 HB THR 36 HB THR 36 2.804 2.295 7.033 289 HG1 THR 36 HG1 THR 36 1.795 -0.001 7.402 290 1HG2 THR 36 1HG2 THR 36 0.704 3.388 7.671 291 2HG2 THR 36 2HG2 THR 36 -0.134 2.534 6.375 292 3HG2 THR 36 3HG2 THR 36 1.116 3.716 5.989 293 HN2 GLY 37 H GLY 37 1.184 -1.139 5.571 294 1HA GLY 37 2HA GLY 37 -1.402 -0.506 4.293 295 2HA GLY 37 1HA GLY 37 -0.672 -2.111 4.329 296 HA PRO 38 HA PRO 38 -3.517 -0.713 8.129 297 1HB PRO 38 2HB PRO 38 -5.330 -2.693 6.824 298 2HB PRO 38 1HB PRO 38 -5.728 -1.213 7.702 299 1HG PRO 38 2HG PRO 38 -5.845 -1.284 5.044 300 2HG PRO 38 1HG PRO 38 -5.237 0.152 5.889 301 1HD PRO 38 2HD PRO 38 -3.743 -1.953 4.402 302 2HD PRO 38 1HD PRO 38 -3.398 -0.219 4.558 303 H LYS 39 H LYS 39 -2.856 -1.768 9.878 304 HA LYS 39 HA LYS 39 -1.664 -4.358 9.686 305 1HB LYS 39 2HB LYS 39 -1.380 -4.134 12.157 306 2HB LYS 39 1HB LYS 39 -0.732 -2.782 11.244 307 1HG LYS 39 2HG LYS 39 -2.675 -1.439 11.801 308 2HG LYS 39 1HG LYS 39 -3.392 -2.803 12.659 309 1HD LYS 39 2HD LYS 39 -0.733 -1.591 13.389 310 2HD LYS 39 1HD LYS 39 -2.261 -1.086 14.109 311 1HE LYS 39 2HE LYS 39 -1.218 -3.913 14.148 312 2HE LYS 39 1HE LYS 39 -0.977 -2.754 15.451 313 1HZ LYS 39 1HZ LYS 39 -2.868 -4.251 15.831 314 2HZ LYS 39 2HZ LYS 39 -3.640 -3.628 14.455 315 3HZ LYS 39 3HZ LYS 39 -3.335 -2.621 15.787 316 H ASP 40 H ASP 40 -4.808 -3.201 10.342 317 HA ASP 40 HA ASP 40 -5.666 -5.556 11.787 318 1HB ASP 40 2HB ASP 40 -6.563 -3.222 12.183 319 2HB ASP 40 1HB ASP 40 -7.406 -3.373 10.645 320 H ILE 41 H ILE 41 -5.805 -4.286 8.535 321 HA ILE 41 HA ILE 41 -7.008 -6.814 7.630 322 HB ILE 41 HB ILE 41 -7.622 -4.123 6.409 323 1HG1 ILE 41 2HG1 ILE 41 -9.416 -5.858 8.126 324 2HG1 ILE 41 1HG1 ILE 41 -8.649 -4.365 8.663 325 1HG2 ILE 41 1HG2 ILE 41 -9.329 -5.361 5.154 326 2HG2 ILE 41 2HG2 ILE 41 -8.776 -6.860 5.902 327 3HG2 ILE 41 3HG2 ILE 41 -7.703 -5.962 4.826 328 1HD1 ILE 41 1HD1 ILE 41 -9.920 -3.115 6.996 329 2HD1 ILE 41 2HD1 ILE 41 -10.978 -4.008 8.086 330 3HD1 ILE 41 3HD1 ILE 41 -10.683 -4.612 6.456 331 H THR 42 H THR 42 -5.415 -7.792 6.600 332 HA THR 42 HA THR 42 -3.760 -8.266 5.117 333 HB THR 42 HB THR 42 -4.055 -5.492 3.957 334 HG1 THR 42 HG1 THR 42 -6.064 -6.241 3.680 335 1HG2 THR 42 1HG2 THR 42 -3.170 -8.118 2.758 336 2HG2 THR 42 2HG2 THR 42 -2.107 -6.788 3.217 337 3HG2 THR 42 3HG2 THR 42 -3.272 -6.575 1.908 338 HN2 GLY 43 H GLY 43 -2.267 -8.372 6.779 339 1HA GLY 43 2HA GLY 43 -1.146 -6.058 8.011 340 2HA GLY 43 1HA GLY 43 -0.620 -7.714 8.247 341 H VAL 44 H VAL 44 -0.433 -5.010 5.979 342 HA VAL 44 HA VAL 44 2.047 -5.965 4.845 343 HB VAL 44 HB VAL 44 0.761 -3.240 4.547 344 1HG1 VAL 44 1HG1 VAL 44 3.086 -3.222 3.898 345 2HG1 VAL 44 2HG1 VAL 44 2.066 -3.120 2.464 346 3HG1 VAL 44 3HG1 VAL 44 2.845 -4.645 2.885 347 1HG2 VAL 44 1HG2 VAL 44 -0.161 -4.094 2.434 348 2HG2 VAL 44 2HG2 VAL 44 -0.785 -4.966 3.833 349 3HG2 VAL 44 3HG2 VAL 44 0.460 -5.698 2.822 350 H LYS 45 H LYS 45 1.014 -3.983 7.437 351 HA LYS 45 HA LYS 45 2.077 -2.935 9.139 352 1HB LYS 45 2HB LYS 45 4.548 -4.295 8.039 353 2HB LYS 45 1HB LYS 45 4.455 -3.475 9.590 354 1HG LYS 45 2HG LYS 45 2.826 -5.094 10.378 355 2HG LYS 45 1HG LYS 45 2.835 -5.891 8.804 356 1HD LYS 45 2HD LYS 45 5.230 -6.395 9.099 357 2HD LYS 45 1HD LYS 45 5.169 -5.648 10.699 358 1HE LYS 45 2HE LYS 45 3.620 -7.308 11.475 359 2HE LYS 45 1HE LYS 45 3.465 -7.982 9.853 360 1HZ LYS 45 1HZ LYS 45 5.855 -8.542 9.959 361 2HZ LYS 45 2HZ LYS 45 4.923 -9.357 11.111 362 3HZ LYS 45 3HZ LYS 45 5.881 -8.038 11.582 363 H ARG 46 H ARG 46 4.644 -1.740 9.212 364 HA ARG 46 HA ARG 46 4.418 0.262 7.064 365 1HB ARG 46 2HB ARG 46 5.160 1.952 8.748 366 2HB ARG 46 1HB ARG 46 3.585 1.256 9.106 367 1HG ARG 46 2HG ARG 46 4.580 -0.201 10.768 368 2HG ARG 46 1HG ARG 46 6.182 0.419 10.376 369 1HD ARG 46 2HD ARG 46 5.480 2.657 11.107 370 2HD ARG 46 1HD ARG 46 3.894 2.010 11.532 371 HE ARG 46 HE ARG 46 5.116 0.553 13.147 372 1HH1 ARG 46 1HH1 ARG 46 6.423 3.651 12.150 373 2HH1 ARG 46 2HH1 ARG 46 7.507 3.768 13.505 374 1HH2 ARG 46 1HH2 ARG 46 6.495 0.705 14.918 375 2HH2 ARG 46 2HH2 ARG 46 7.556 2.071 15.088 376 H ARG 47 H ARG 47 6.282 0.790 6.027 377 HA ARG 47 HA ARG 47 8.849 0.592 7.215 378 1HB ARG 47 2HB ARG 47 8.316 -1.839 6.799 379 2HB ARG 47 1HB ARG 47 8.283 -1.475 5.079 380 1HG ARG 47 2HG ARG 47 10.620 -0.803 5.158 381 2HG ARG 47 1HG ARG 47 10.658 -1.102 6.896 382 1HD ARG 47 2HD ARG 47 10.203 -3.464 6.516 383 2HD ARG 47 1HD ARG 47 10.099 -3.177 4.777 384 HE ARG 47 HE ARG 47 12.588 -2.255 5.664 385 1HH1 ARG 47 1HH1 ARG 47 10.882 -5.295 5.332 386 2HH1 ARG 47 2HH1 ARG 47 12.327 -6.231 5.096 387 1HH2 ARG 47 1HH2 ARG 47 14.475 -3.449 5.344 388 2HH2 ARG 47 2HH2 ARG 47 14.388 -5.172 5.081 389 H ARG 48 H ARG 48 10.564 1.200 5.688 390 HA ARG 48 HA ARG 48 9.543 2.875 3.516 391 1HB ARG 48 2HB ARG 48 12.352 2.668 4.627 392 2HB ARG 48 1HB ARG 48 11.752 3.899 3.524 393 1HG ARG 48 2HG ARG 48 10.311 4.794 5.227 394 2HG ARG 48 1HG ARG 48 10.745 3.486 6.329 395 1HD ARG 48 2HD ARG 48 13.113 4.271 6.193 396 2HD ARG 48 1HD ARG 48 12.540 5.659 5.271 397 HE ARG 48 HE ARG 48 11.042 5.875 7.448 398 1HH1 ARG 48 1HH1 ARG 48 14.446 5.124 7.159 399 2HH1 ARG 48 2HH1 ARG 48 14.871 5.872 8.672 400 1HH2 ARG 48 1HH2 ARG 48 11.599 6.883 9.428 401 2HH2 ARG 48 2HH2 ARG 48 13.262 6.866 9.946 402 H VAL 49 H VAL 49 9.691 2.216 1.438 403 HA VAL 49 HA VAL 49 11.636 0.121 0.757 404 HB VAL 49 HB VAL 49 9.888 -1.056 -0.566 405 1HG1 VAL 49 1HG1 VAL 49 9.466 -0.969 2.418 406 2HG1 VAL 49 2HG1 VAL 49 10.641 -1.962 1.555 407 3HG1 VAL 49 3HG1 VAL 49 8.915 -2.257 1.346 408 1HG2 VAL 49 1HG2 VAL 49 8.230 0.674 -0.740 409 2HG2 VAL 49 2HG2 VAL 49 8.020 0.696 1.011 410 3HG2 VAL 49 3HG2 VAL 49 7.528 -0.721 0.081 411 H ASN 50 H ASN 50 11.262 2.974 0.185 412 HA ASN 50 HA ASN 50 11.187 4.553 -1.393 413 1HB ASN 50 2HB ASN 50 12.608 4.299 -3.230 414 2HB ASN 50 1HB ASN 50 13.285 3.283 -1.979 415 1HD2 ASN 50 1HD2 ASN 50 13.579 1.167 -2.369 416 2HD2 ASN 50 2HD2 ASN 50 13.188 0.383 -3.861 417 H ILE 51 H ILE 51 10.581 5.028 -3.840 418 HA ILE 51 HA ILE 51 7.971 3.735 -4.244 419 HB ILE 51 HB ILE 51 7.338 5.954 -5.296 420 1HG1 ILE 51 2HG1 ILE 51 9.747 6.879 -3.721 421 2HG1 ILE 51 1HG1 ILE 51 9.621 6.860 -5.479 422 1HG2 ILE 51 1HG2 ILE 51 6.421 5.224 -3.196 423 2HG2 ILE 51 2HG2 ILE 51 6.778 6.950 -3.108 424 3HG2 ILE 51 3HG2 ILE 51 7.857 5.784 -2.339 425 1HD1 ILE 51 1HD1 ILE 51 7.928 8.505 -3.611 426 2HD1 ILE 51 2HD1 ILE 51 7.831 8.503 -5.372 427 3HD1 ILE 51 3HD1 ILE 51 9.285 9.092 -4.571 428 H LEU 52 H LEU 52 10.987 4.289 -5.629 429 HA LEU 52 HA LEU 52 10.254 4.741 -8.334 430 1HB LEU 52 2HB LEU 52 12.539 5.035 -7.070 431 2HB LEU 52 1HB LEU 52 12.799 3.372 -7.550 432 HG LEU 52 HG LEU 52 12.223 5.596 -9.506 433 1HD1 LEU 52 1HD1 LEU 52 14.873 4.423 -8.678 434 2HD1 LEU 52 2HD1 LEU 52 14.304 6.056 -8.333 435 3HD1 LEU 52 3HD1 LEU 52 14.618 5.566 -9.999 436 1HD2 LEU 52 1HD2 LEU 52 13.302 2.806 -9.895 437 2HD2 LEU 52 2HD2 LEU 52 13.113 4.023 -11.157 438 3HD2 LEU 52 3HD2 LEU 52 11.691 3.370 -10.343 439 H HIS 53 H HIS 53 11.081 1.830 -6.485 440 HA HIS 53 HA HIS 53 10.525 0.186 -8.840 441 1HB HIS 53 2HB HIS 53 11.814 -0.415 -6.188 442 2HB HIS 53 1HB HIS 53 11.333 -1.695 -7.300 443 HD1 HIS 53 HD1 HIS 53 13.003 -2.314 -9.039 444 HD2 HIS 53 HD2 HIS 53 13.730 1.459 -7.447 445 HE1 HIS 53 HE1 HIS 53 15.162 -1.542 -10.073 446 HE2 HIS 53 HE2 HIS 53 15.437 0.836 -9.287 447 H LEU 54 H LEU 54 8.471 1.608 -7.228 448 HA LEU 54 HA LEU 54 6.705 -0.733 -6.973 449 1HB LEU 54 2HB LEU 54 6.729 1.802 -5.346 450 2HB LEU 54 1HB LEU 54 5.289 0.817 -5.483 451 HG LEU 54 HG LEU 54 6.705 -1.108 -4.575 452 1HD1 LEU 54 1HD1 LEU 54 8.500 1.186 -3.809 453 2HD1 LEU 54 2HD1 LEU 54 8.894 -0.110 -4.938 454 3HD1 LEU 54 3HD1 LEU 54 8.636 -0.474 -3.231 455 1HD2 LEU 54 1HD2 LEU 54 6.379 -0.379 -2.262 456 2HD2 LEU 54 2HD2 LEU 54 4.989 0.016 -3.274 457 3HD2 LEU 54 3HD2 LEU 54 6.136 1.277 -2.821 458 H GLU 55 H GLU 55 4.818 -0.629 -8.124 459 HA GLU 55 HA GLU 55 4.590 1.713 -9.882 460 1HB GLU 55 2HB GLU 55 3.624 -1.099 -10.409 461 2HB GLU 55 1HB GLU 55 3.620 0.244 -11.543 462 1HG GLU 55 2HG GLU 55 6.170 0.291 -11.120 463 2HG GLU 55 1HG GLU 55 5.926 -1.343 -10.510 464 HA PRO 56 HA PRO 56 0.833 2.452 -7.745 465 1HB PRO 56 2HB PRO 56 0.057 4.647 -9.061 466 2HB PRO 56 1HB PRO 56 1.495 4.646 -8.030 467 1HG PRO 56 2HG PRO 56 1.297 4.452 -11.008 468 2HG PRO 56 1HG PRO 56 2.441 5.377 -10.019 469 1HD PRO 56 2HD PRO 56 2.993 2.931 -11.165 470 2HD PRO 56 1HD PRO 56 3.828 3.585 -9.743 471 H THR 57 H THR 57 -1.413 2.485 -7.996 472 HA THR 57 HA THR 57 -2.399 1.152 -10.393 473 HB THR 57 HB THR 57 -4.522 0.941 -9.114 474 HG1 THR 57 HG1 THR 57 -3.404 2.823 -7.597 475 1HG2 THR 57 1HG2 THR 57 -2.897 -0.856 -8.995 476 2HG2 THR 57 2HG2 THR 57 -3.669 -0.648 -7.422 477 3HG2 THR 57 3HG2 THR 57 -2.042 -0.030 -7.693 478 H ASP 58 H ASP 58 -4.786 1.950 -10.928 479 HA ASP 58 HA ASP 58 -4.514 4.681 -11.800 480 1HB ASP 58 2HB ASP 58 -6.687 2.615 -12.132 481 2HB ASP 58 1HB ASP 58 -6.866 4.265 -12.716 482 H LYS 59 H LYS 59 -5.433 3.347 -8.939 483 HA LYS 59 HA LYS 59 -7.393 5.457 -8.356 484 1HB LYS 59 2HB LYS 59 -6.958 2.722 -7.239 485 2HB LYS 59 1HB LYS 59 -7.638 3.957 -6.190 486 1HG LYS 59 2HG LYS 59 -9.412 2.670 -7.173 487 2HG LYS 59 1HG LYS 59 -9.451 4.308 -7.823 488 1HD LYS 59 2HD LYS 59 -8.259 3.493 -9.834 489 2HD LYS 59 1HD LYS 59 -8.342 1.854 -9.184 490 1HE LYS 59 2HE LYS 59 -10.114 2.269 -10.815 491 2HE LYS 59 1HE LYS 59 -10.770 1.946 -9.209 492 1HZ LYS 59 1HZ LYS 59 -11.210 4.247 -8.893 493 2HZ LYS 59 2HZ LYS 59 -11.840 3.824 -10.410 494 3HZ LYS 59 3HZ LYS 59 -10.375 4.678 -10.305 495 H LYS 60 H LYS 60 -7.191 6.728 -6.555 496 HA LYS 60 HA LYS 60 -4.763 6.533 -4.940 497 1HB LYS 60 2HB LYS 60 -4.389 8.192 -6.821 498 2HB LYS 60 1HB LYS 60 -5.701 9.150 -6.150 499 1HG LYS 60 2HG LYS 60 -4.363 9.165 -3.982 500 2HG LYS 60 1HG LYS 60 -3.014 8.561 -4.945 501 1HD LYS 60 2HD LYS 60 -2.691 10.865 -4.967 502 2HD LYS 60 1HD LYS 60 -3.523 10.558 -6.494 503 1HE LYS 60 2HE LYS 60 -4.672 12.383 -5.654 504 2HE LYS 60 1HE LYS 60 -5.676 11.033 -5.148 505 1HZ LYS 60 1HZ LYS 60 -4.583 11.139 -2.960 506 2HZ LYS 60 2HZ LYS 60 -5.410 12.573 -3.341 507 3HZ LYS 60 3HZ LYS 60 -3.720 12.513 -3.468 508 H ILE 61 H ILE 61 -5.004 7.551 -2.891 509 HA ILE 61 HA ILE 61 -7.767 8.344 -2.245 510 HB ILE 61 HB ILE 61 -7.253 7.693 0.122 511 1HG1 ILE 61 2HG1 ILE 61 -4.868 6.321 -1.144 512 2HG1 ILE 61 1HG1 ILE 61 -4.796 7.696 -0.043 513 1HG2 ILE 61 1HG2 ILE 61 -7.589 5.284 -0.261 514 2HG2 ILE 61 2HG2 ILE 61 -7.169 5.514 -1.958 515 3HG2 ILE 61 3HG2 ILE 61 -8.610 6.283 -1.292 516 1HD1 ILE 61 1HD1 ILE 61 -4.274 5.644 1.119 517 2HD1 ILE 61 2HD1 ILE 61 -5.806 4.936 0.612 518 3HD1 ILE 61 3HD1 ILE 61 -5.793 6.309 1.719 519 H ASP 62 H ASP 62 -7.922 10.010 -0.533 520 HA ASP 62 HA ASP 62 -5.682 11.892 -0.862 521 1HB ASP 62 2HB ASP 62 -8.298 12.230 -1.642 522 2HB ASP 62 1HB ASP 62 -8.259 13.052 -0.086 523 H ILE 63 H ILE 63 -5.438 10.102 1.128 524 HA ILE 63 HA ILE 63 -6.449 11.070 3.613 525 HB ILE 63 HB ILE 63 -4.740 9.503 4.626 526 1HG1 ILE 63 2HG1 ILE 63 -3.941 7.732 2.919 527 2HG1 ILE 63 1HG1 ILE 63 -4.200 8.976 1.708 528 1HG2 ILE 63 1HG2 ILE 63 -7.051 8.870 4.305 529 2HG2 ILE 63 2HG2 ILE 63 -5.998 7.493 3.984 530 3HG2 ILE 63 3HG2 ILE 63 -6.716 8.385 2.643 531 1HD1 ILE 63 1HD1 ILE 63 -1.875 8.871 2.372 532 2HD1 ILE 63 2HD1 ILE 63 -2.325 9.154 4.053 533 3HD1 ILE 63 3HD1 ILE 63 -2.586 10.415 2.849 534 H GLN 64 H GLN 64 -4.671 11.391 5.420 535 HA GLN 64 HA GLN 64 -3.217 13.772 4.545 536 1HB GLN 64 2HB GLN 64 -3.758 12.833 7.366 537 2HB GLN 64 1HB GLN 64 -3.238 14.434 6.854 538 1HG GLN 64 2HG GLN 64 -5.362 14.820 5.771 539 2HG GLN 64 1HG GLN 64 -5.887 13.183 6.162 540 1HE2 GLN 64 1HE2 GLN 64 -6.421 12.679 8.300 541 2HE2 GLN 64 2HE2 GLN 64 -6.749 13.903 9.472 542 H LYS 65 H LYS 65 -1.020 14.074 4.973 543 HA LYS 65 HA LYS 65 0.610 11.768 5.026 544 1HB LYS 65 2HB LYS 65 1.331 13.889 4.000 545 2HB LYS 65 1HB LYS 65 1.360 14.647 5.584 546 1HG LYS 65 2HG LYS 65 3.203 13.371 6.283 547 2HG LYS 65 1HG LYS 65 3.036 12.242 4.941 548 1HD LYS 65 2HD LYS 65 4.889 13.626 4.433 549 2HD LYS 65 1HD LYS 65 3.571 14.174 3.402 550 1HE LYS 65 2HE LYS 65 4.232 15.473 6.035 551 2HE LYS 65 1HE LYS 65 4.989 15.964 4.524 552 1HZ LYS 65 1HZ LYS 65 2.170 16.235 5.354 553 2HZ LYS 65 2HZ LYS 65 2.579 16.235 3.713 554 3HZ LYS 65 3HZ LYS 65 3.227 17.415 4.745 555 HN2 GLY 66 H GLY 66 0.915 10.490 6.696 556 1HA GLY 66 2HA GLY 66 1.672 9.960 8.866 557 2HA GLY 66 1HA GLY 66 1.411 11.635 9.338 558 H ALA 67 H ALA 67 -0.935 9.573 7.710 559 HA ALA 67 HA ALA 67 -2.863 10.011 9.807 560 1HB ALA 67 1HB ALA 67 -3.577 10.007 7.470 561 2HB ALA 67 2HB ALA 67 -4.394 8.737 8.380 562 3HB ALA 67 3HB ALA 67 -3.056 8.330 7.305 563 H SER 68 H SER 68 -4.091 8.144 10.738 564 HA SER 68 HA SER 68 -2.161 6.166 11.680 565 1HB SER 68 2HB SER 68 -3.906 5.716 13.428 566 2HB SER 68 1HB SER 68 -3.312 7.376 13.420 567 HG SER 68 HG SER 68 -5.253 8.041 12.971 568 H ASP 69 H ASP 69 -3.002 3.953 12.102 569 HA ASP 69 HA ASP 69 -3.906 2.651 9.813 570 1HB ASP 69 2HB ASP 69 -2.747 1.394 11.499 571 2HB ASP 69 1HB ASP 69 -3.950 1.802 12.717 572 H GLU 70 H GLU 70 -5.670 3.968 12.534 573 HA GLU 70 HA GLU 70 -8.169 2.789 11.982 574 1HB GLU 70 2HB GLU 70 -7.329 4.092 14.085 575 2HB GLU 70 1HB GLU 70 -7.905 5.511 13.222 576 1HG GLU 70 2HG GLU 70 -9.628 4.797 14.691 577 2HG GLU 70 1HG GLU 70 -10.131 4.415 13.044 578 H GLU 71 H GLU 71 -6.820 5.962 11.168 579 HA GLU 71 HA GLU 71 -9.022 6.974 9.789 580 1HB GLU 71 2HB GLU 71 -7.127 8.320 10.595 581 2HB GLU 71 1HB GLU 71 -6.096 7.591 9.373 582 1HG GLU 71 2HG GLU 71 -6.893 9.857 8.795 583 2HG GLU 71 1HG GLU 71 -7.334 8.624 7.615 584 H VAL 72 H VAL 72 -6.239 5.128 8.610 585 HA VAL 72 HA VAL 72 -6.792 5.331 5.868 586 HB VAL 72 HB VAL 72 -5.426 3.070 7.347 587 1HG1 VAL 72 1HG1 VAL 72 -5.342 3.799 4.418 588 2HG1 VAL 72 2HG1 VAL 72 -6.151 2.394 5.106 589 3HG1 VAL 72 3HG1 VAL 72 -4.396 2.531 5.196 590 1HG2 VAL 72 1HG2 VAL 72 -4.293 5.511 5.977 591 2HG2 VAL 72 2HG2 VAL 72 -3.350 4.198 6.682 592 3HG2 VAL 72 3HG2 VAL 72 -4.344 5.223 7.717 593 H LYS 73 H LYS 73 -7.858 2.884 8.250 594 HA LYS 73 HA LYS 73 -9.127 1.228 6.353 595 1HB LYS 73 2HB LYS 73 -9.625 1.526 9.313 596 2HB LYS 73 1HB LYS 73 -10.269 0.243 8.308 597 1HG LYS 73 2HG LYS 73 -7.887 -0.360 7.744 598 2HG LYS 73 1HG LYS 73 -7.403 0.758 9.022 599 1HD LYS 73 2HD LYS 73 -9.102 -1.719 9.311 600 2HD LYS 73 1HD LYS 73 -7.466 -1.474 9.921 601 1HE LYS 73 2HE LYS 73 -9.942 0.001 10.807 602 2HE LYS 73 1HE LYS 73 -9.102 -1.260 11.709 603 1HZ LYS 73 1HZ LYS 73 -8.560 1.006 12.452 604 2HZ LYS 73 2HZ LYS 73 -7.889 1.332 10.928 605 3HZ LYS 73 3HZ LYS 73 -7.190 0.150 11.917 606 H LYS 74 H LYS 74 -10.262 3.940 8.296 607 HA LYS 74 HA LYS 74 -13.011 3.767 7.738 608 1HB LYS 74 2HB LYS 74 -11.266 6.199 8.166 609 2HB LYS 74 1HB LYS 74 -13.022 6.218 8.181 610 1HG LYS 74 2HG LYS 74 -13.143 5.052 10.183 611 2HG LYS 74 1HG LYS 74 -11.485 4.455 10.042 612 1HD LYS 74 2HD LYS 74 -11.703 6.248 11.711 613 2HD LYS 74 1HD LYS 74 -10.615 6.673 10.402 614 1HE LYS 74 2HE LYS 74 -12.532 7.878 9.325 615 2HE LYS 74 1HE LYS 74 -13.447 7.608 10.810 616 1HZ LYS 74 1HZ LYS 74 -11.767 8.839 12.029 617 2HZ LYS 74 2HZ LYS 74 -12.409 9.788 10.784 618 3HZ LYS 74 3HZ LYS 74 -10.870 9.084 10.605 619 H LYS 75 H LYS 75 -10.526 5.763 6.206 620 HA LYS 75 HA LYS 75 -12.126 6.694 4.091 621 1HB LYS 75 2HB LYS 75 -9.145 6.488 4.442 622 2HB LYS 75 1HB LYS 75 -9.878 7.236 3.031 623 1HG LYS 75 2HG LYS 75 -10.364 8.095 5.877 624 2HG LYS 75 1HG LYS 75 -9.222 8.861 4.767 625 1HD LYS 75 2HD LYS 75 -10.939 9.625 3.357 626 2HD LYS 75 1HD LYS 75 -12.129 8.542 4.076 627 1HE LYS 75 2HE LYS 75 -12.404 10.920 4.745 628 2HE LYS 75 1HE LYS 75 -12.161 9.822 6.102 629 1HZ LYS 75 1HZ LYS 75 -10.879 11.941 6.204 630 2HZ LYS 75 2HZ LYS 75 -9.960 11.397 4.883 631 3HZ LYS 75 3HZ LYS 75 -9.941 10.535 6.352 632 H LEU 76 H LEU 76 -10.166 3.802 4.405 633 HA LEU 76 HA LEU 76 -10.254 2.994 1.698 634 1HB LEU 76 2HB LEU 76 -8.749 2.036 3.433 635 2HB LEU 76 1HB LEU 76 -10.137 1.260 4.171 636 HG LEU 76 HG LEU 76 -10.474 -0.031 2.067 637 1HD1 LEU 76 1HD1 LEU 76 -7.824 1.191 1.308 638 2HD1 LEU 76 2HD1 LEU 76 -9.372 1.502 0.523 639 3HD1 LEU 76 3HD1 LEU 76 -8.647 -0.105 0.440 640 1HD2 LEU 76 1HD2 LEU 76 -8.584 -1.550 2.437 641 2HD2 LEU 76 2HD2 LEU 76 -9.294 -1.006 3.958 642 3HD2 LEU 76 3HD2 LEU 76 -7.777 -0.305 3.389 643 H GLU 77 H GLU 77 -12.381 2.422 4.452 644 HA GLU 77 HA GLU 77 -14.191 0.663 3.182 645 1HB GLU 77 2HB GLU 77 -13.832 1.599 5.722 646 2HB GLU 77 1HB GLU 77 -15.277 2.473 5.240 647 1HG GLU 77 2HG GLU 77 -14.931 -0.513 5.195 648 2HG GLU 77 1HG GLU 77 -15.802 0.410 6.416 649 H GLU 78 H GLU 78 -14.093 4.169 3.550 650 HA GLU 78 HA GLU 78 -16.565 4.811 2.424 651 1HB GLU 78 2HB GLU 78 -13.960 6.308 2.587 652 2HB GLU 78 1HB GLU 78 -15.385 7.014 1.835 653 1HG GLU 78 2HG GLU 78 -15.291 5.985 4.658 654 2HG GLU 78 1HG GLU 78 -15.050 7.672 4.198 655 H SER 79 H SER 79 -13.453 4.175 0.889 656 HA SER 79 HA SER 79 -14.507 4.773 -1.732 657 1HB SER 79 2HB SER 79 -11.829 3.650 -0.886 658 2HB SER 79 1HB SER 79 -12.243 4.237 -2.492 659 HG SER 79 HG SER 79 -12.859 6.247 -1.121 660 H ASN 80 H ASN 80 -14.522 2.147 0.348 661 HA ASN 80 HA ASN 80 -15.151 -0.025 0.175 662 1HB ASN 80 2HB ASN 80 -16.977 1.014 -1.224 663 2HB ASN 80 1HB ASN 80 -16.020 0.648 -2.651 664 1HD2 ASN 80 1HD2 ASN 80 -17.826 -0.714 0.019 665 2HD2 ASN 80 2HD2 ASN 80 -18.070 -2.277 -0.700 666 H LEU 81 H LEU 81 -12.477 0.894 -0.646 667 HA LEU 81 HA LEU 81 -11.740 -0.902 -2.820 668 1HB LEU 81 2HB LEU 81 -10.900 1.476 -2.607 669 2HB LEU 81 1HB LEU 81 -9.946 0.935 -1.241 670 HG LEU 81 HG LEU 81 -8.775 -0.665 -2.748 671 1HD1 LEU 81 1HD1 LEU 81 -8.999 -0.406 -5.153 672 2HD1 LEU 81 2HD1 LEU 81 -10.264 0.801 -4.922 673 3HD1 LEU 81 3HD1 LEU 81 -10.542 -0.871 -4.435 674 1HD2 LEU 81 1HD2 LEU 81 -8.666 2.225 -3.594 675 2HD2 LEU 81 2HD2 LEU 81 -7.407 1.018 -3.849 676 3HD2 LEU 81 3HD2 LEU 81 -7.824 1.525 -2.213 677 H THR 82 H THR 82 -12.392 -1.440 0.217 678 HA THR 82 HA THR 82 -10.213 -2.555 1.509 679 HB THR 82 HB THR 82 -12.962 -3.766 1.681 680 HG1 THR 82 HG1 THR 82 -13.744 -1.923 2.393 681 1HG2 THR 82 1HG2 THR 82 -10.874 -3.116 3.767 682 2HG2 THR 82 2HG2 THR 82 -11.168 -4.713 3.080 683 3HG2 THR 82 3HG2 THR 82 -12.411 -3.930 4.057 684 H GLU 83 H GLU 83 -12.394 -3.997 -0.859 685 HA GLU 83 HA GLU 83 -11.623 -6.671 -0.713 686 1HB GLU 83 2HB GLU 83 -13.555 -5.924 -1.992 687 2HB GLU 83 1HB GLU 83 -12.520 -5.029 -3.088 688 1HG GLU 83 2HG GLU 83 -11.451 -7.281 -3.634 689 2HG GLU 83 1HG GLU 83 -12.846 -7.996 -2.831 690 H TYR 84 H TYR 84 -10.422 -4.079 -2.778 691 HA TYR 84 HA TYR 84 -8.665 -5.709 -4.273 692 1HB TYR 84 2HB TYR 84 -9.695 -3.384 -4.825 693 2HB TYR 84 1HB TYR 84 -8.303 -2.740 -3.962 694 HD1 TYR 84 HD2 TYR 84 -9.361 -4.737 -6.872 695 HD2 TYR 84 HD1 TYR 84 -6.141 -2.692 -4.985 696 HE1 TYR 84 HE2 TYR 84 -8.042 -4.939 -8.929 697 HE2 TYR 84 HE1 TYR 84 -4.804 -2.892 -7.044 698 HH TYR 84 HH TYR 84 -6.177 -3.890 -10.033 699 H MET 85 H MET 85 -8.297 -3.885 -1.314 700 HA MET 85 HA MET 85 -5.459 -3.926 -1.257 701 1HB MET 85 2HB MET 85 -7.594 -3.410 0.791 702 2HB MET 85 1HB MET 85 -5.899 -3.467 1.233 703 1HG MET 85 2HG MET 85 -7.118 -1.607 -0.787 704 2HG MET 85 1HG MET 85 -6.675 -1.188 0.864 705 1HE MET 85 1HE MET 85 -3.970 0.724 -1.198 706 2HE MET 85 2HE MET 85 -5.203 0.841 0.054 707 3HE MET 85 3HE MET 85 -5.669 0.492 -1.611 708 H LYS 86 H LYS 86 -7.987 -6.016 0.006 709 HA LYS 86 HA LYS 86 -6.191 -7.563 1.611 710 1HB LYS 86 2HB LYS 86 -8.570 -7.237 2.199 711 2HB LYS 86 1HB LYS 86 -9.036 -8.164 0.780 712 1HG LYS 86 2HG LYS 86 -7.982 -10.148 1.691 713 2HG LYS 86 1HG LYS 86 -7.409 -9.227 3.083 714 1HD LYS 86 2HD LYS 86 -9.731 -8.780 3.737 715 2HD LYS 86 1HD LYS 86 -10.299 -9.712 2.349 716 1HE LYS 86 2HE LYS 86 -9.226 -11.709 3.242 717 2HE LYS 86 1HE LYS 86 -8.605 -10.783 4.605 718 1HZ LYS 86 1HZ LYS 86 -10.885 -10.359 5.300 719 2HZ LYS 86 2HZ LYS 86 -10.573 -12.023 5.224 720 3HZ LYS 86 3HZ LYS 86 -11.477 -11.276 4.000 721 H GLU 87 H GLU 87 -8.070 -8.301 -1.348 722 HA GLU 87 HA GLU 87 -6.532 -10.794 -1.559 723 1HB GLU 87 2HB GLU 87 -9.120 -10.640 -1.471 724 2HB GLU 87 1HB GLU 87 -8.994 -10.161 -3.154 725 1HG GLU 87 2HG GLU 87 -7.890 -12.721 -2.028 726 2HG GLU 87 1HG GLU 87 -9.473 -12.566 -2.782 727 H LYS 88 H LYS 88 -5.151 -11.139 -3.135 728 HA LYS 88 HA LYS 88 -5.414 -10.067 -5.751 729 1HB LYS 88 2HB LYS 88 -3.849 -8.525 -3.871 730 2HB LYS 88 1HB LYS 88 -2.845 -9.096 -5.198 731 1HG LYS 88 2HG LYS 88 -5.393 -7.504 -5.445 732 2HG LYS 88 1HG LYS 88 -3.751 -6.908 -5.703 733 1HD LYS 88 2HD LYS 88 -3.473 -8.200 -7.649 734 2HD LYS 88 1HD LYS 88 -4.869 -9.213 -7.276 735 1HE LYS 88 2HE LYS 88 -6.324 -7.229 -7.595 736 2HE LYS 88 1HE LYS 88 -4.904 -6.312 -8.095 737 1HZ LYS 88 1HZ LYS 88 -4.647 -7.642 -10.001 738 2HZ LYS 88 2HZ LYS 88 -6.308 -7.293 -9.925 739 3HZ LYS 88 3HZ LYS 88 -5.739 -8.813 -9.443 740 H ILE 89 H ILE 89 -2.753 -10.228 -6.567 741 HA ILE 89 HA ILE 89 -2.593 -12.855 -7.339 742 HB ILE 89 HB ILE 89 -0.250 -10.971 -7.056 743 1HG1 ILE 89 2HG1 ILE 89 -2.191 -11.333 -9.354 744 2HG1 ILE 89 1HG1 ILE 89 -2.132 -9.944 -8.273 745 1HG2 ILE 89 1HG2 ILE 89 0.427 -13.266 -7.518 746 2HG2 ILE 89 2HG2 ILE 89 0.702 -12.241 -8.926 747 3HG2 ILE 89 3HG2 ILE 89 -0.685 -13.329 -8.885 748 1HD1 ILE 89 1HD1 ILE 89 0.096 -9.403 -9.085 749 2HD1 ILE 89 2HD1 ILE 89 -1.071 -9.463 -10.403 750 3HD1 ILE 89 3HD1 ILE 89 0.054 -10.801 -10.158 751 H LYS 90 H LYS 90 -1.456 -14.643 -6.726 752 HA LYS 90 HA LYS 90 -1.122 -15.196 -4.008 753 1HB LYS 90 2HB LYS 90 0.039 -16.592 -6.426 754 2HB LYS 90 1HB LYS 90 0.030 -17.258 -4.799 755 1HG LYS 90 2HG LYS 90 -2.339 -17.432 -4.799 756 2HG LYS 90 1HG LYS 90 -2.465 -16.497 -6.290 757 1HD LYS 90 2HD LYS 90 -1.369 -18.257 -7.534 758 2HD LYS 90 1HD LYS 90 -1.102 -19.179 -6.053 759 1HE LYS 90 2HE LYS 90 -3.439 -19.553 -5.777 760 2HE LYS 90 1HE LYS 90 -3.831 -18.413 -7.064 761 1HZ LYS 90 1HZ LYS 90 -2.952 -19.870 -8.682 762 2HZ LYS 90 2HZ LYS 90 -3.951 -20.815 -7.691 763 3HZ LYS 90 3HZ LYS 90 -2.267 -20.892 -7.518 764 H ILE 91 H ILE 91 0.339 -14.299 -2.717 765 HA ILE 91 HA ILE 91 3.091 -14.003 -3.729 766 HB ILE 91 HB ILE 91 2.190 -11.854 -3.088 767 1HG1 ILE 91 2HG1 ILE 91 4.102 -12.890 -0.988 768 2HG1 ILE 91 1HG1 ILE 91 4.551 -12.294 -2.581 769 1HG2 ILE 91 1HG2 ILE 91 1.599 -13.090 -0.403 770 2HG2 ILE 91 2HG2 ILE 91 0.418 -12.564 -1.603 771 3HG2 ILE 91 3HG2 ILE 91 1.446 -11.378 -0.799 772 1HD1 ILE 91 1HD1 ILE 91 3.697 -10.081 -1.980 773 2HD1 ILE 91 2HD1 ILE 91 4.975 -10.623 -0.892 774 3HD1 ILE 91 3HD1 ILE 91 3.291 -10.689 -0.375 775 H ARG 92 H ARG 92 4.742 -14.973 -2.654 776 HA ARG 92 HA ARG 92 4.026 -17.098 -0.872 777 1HB ARG 92 2HB ARG 92 6.538 -17.500 -0.845 778 2HB ARG 92 1HB ARG 92 5.726 -17.646 -2.399 779 1HG ARG 92 2HG ARG 92 6.485 -15.398 -2.998 780 2HG ARG 92 1HG ARG 92 7.311 -15.270 -1.444 781 1HD ARG 92 2HD ARG 92 9.038 -16.521 -2.131 782 2HD ARG 92 1HD ARG 92 7.991 -17.679 -2.956 783 HE ARG 92 HE ARG 92 7.824 -15.704 -4.662 784 1HH1 ARG 92 1HH1 ARG 92 10.694 -16.691 -2.887 785 2HH1 ARG 92 2HH1 ARG 92 11.783 -16.287 -4.184 786 1HH2 ARG 92 1HH2 ARG 92 9.243 -15.227 -6.378 787 2HH2 ARG 92 2HH2 ARG 92 10.959 -15.463 -6.173 788 H MET 93 H MET 93 3.170 -15.924 0.887 789 HA MET 93 HA MET 93 5.071 -14.493 2.567 790 1HB MET 93 2HB MET 93 2.154 -15.180 2.999 791 2HB MET 93 1HB MET 93 3.134 -14.242 4.117 792 1HG MET 93 2HG MET 93 3.464 -12.546 2.367 793 2HG MET 93 1HG MET 93 2.420 -13.480 1.296 794 1HE MET 93 1HE MET 93 2.617 -11.275 4.544 795 2HE MET 93 2HE MET 93 2.091 -12.835 5.173 796 3HE MET 93 3HE MET 93 0.988 -11.459 5.194 797 HA PRO 94 HA PRO 94 6.216 -18.560 4.103 798 1HB PRO 94 2HB PRO 94 7.974 -16.949 5.850 799 2HB PRO 94 1HB PRO 94 8.390 -18.248 4.731 800 1HG PRO 94 2HG PRO 94 8.977 -15.702 4.175 801 2HG PRO 94 1HG PRO 94 8.464 -16.828 2.903 802 1HD PRO 94 2HD PRO 94 6.886 -14.699 4.302 803 2HD PRO 94 1HD PRO 94 6.887 -15.155 2.584 804 H THR 95 H THR 95 5.073 -19.625 5.573 805 HA THR 95 HA THR 95 3.882 -18.322 7.840 806 HB THR 95 HB THR 95 4.059 -21.309 7.495 807 HG1 THR 95 HG1 THR 95 2.390 -19.477 6.068 808 1HG2 THR 95 1HG2 THR 95 1.823 -21.234 8.505 809 2HG2 THR 95 2HG2 THR 95 1.905 -19.474 8.558 810 3HG2 THR 95 3HG2 THR 95 3.015 -20.437 9.532 811 H LEU 96 H LEU 96 6.095 -17.578 8.518 812 HA LEU 96 HA LEU 96 7.392 -19.594 10.230 813 1HB LEU 96 2HB LEU 96 8.588 -18.618 8.058 814 2HB LEU 96 1HB LEU 96 8.928 -17.276 9.127 815 HG LEU 96 HG LEU 96 10.795 -18.862 8.985 816 1HD1 LEU 96 1HD1 LEU 96 11.165 -19.172 11.383 817 2HD1 LEU 96 2HD1 LEU 96 9.474 -18.767 11.687 818 3HD1 LEU 96 3HD1 LEU 96 10.563 -17.559 11.003 819 1HD2 LEU 96 1HD2 LEU 96 10.602 -21.083 9.971 820 2HD2 LEU 96 2HD2 LEU 96 9.517 -20.895 8.593 821 3HD2 LEU 96 3HD2 LEU 96 8.878 -20.822 10.235 Start of MODEL 6 1 1H MET 1 1H MET 1 0.053 14.522 -13.407 2 2H MET 1 2H MET 1 -1.438 15.250 -13.033 3 3H MET 1 3H MET 1 -1.236 14.440 -14.502 4 HA MET 1 HA MET 1 -2.525 13.166 -12.878 5 1HB MET 1 2HB MET 1 0.134 12.061 -13.790 6 2HB MET 1 1HB MET 1 -1.097 11.066 -13.033 7 1HG MET 1 2HG MET 1 -1.223 10.820 -15.413 8 2HG MET 1 1HG MET 1 -2.659 11.661 -14.835 9 1HE MET 1 1HE MET 1 -1.694 11.529 -17.902 10 2HE MET 1 2HE MET 1 -2.020 13.188 -18.405 11 3HE MET 1 3HE MET 1 -3.170 12.338 -17.375 12 HA PRO 2 HA PRO 2 -0.850 13.698 -8.733 13 1HB PRO 2 2HB PRO 2 -3.335 12.389 -7.902 14 2HB PRO 2 1HB PRO 2 -2.752 14.014 -7.532 15 1HG PRO 2 2HG PRO 2 -4.851 13.559 -9.172 16 2HG PRO 2 1HG PRO 2 -3.755 14.937 -9.387 17 1HD PRO 2 2HD PRO 2 -3.842 12.330 -10.859 18 2HD PRO 2 1HD PRO 2 -3.559 13.967 -11.486 19 H ALA 3 H ALA 3 0.753 12.216 -8.554 20 HA ALA 3 HA ALA 3 0.085 9.574 -7.602 21 1HB ALA 3 1HB ALA 3 0.037 9.238 -10.032 22 2HB ALA 3 2HB ALA 3 1.386 8.378 -9.292 23 3HB ALA 3 3HB ALA 3 1.672 9.889 -10.154 24 H ILE 4 H ILE 4 2.192 8.352 -7.168 25 HA ILE 4 HA ILE 4 3.998 8.216 -5.820 26 HB ILE 4 HB ILE 4 4.975 10.631 -7.354 27 1HG1 ILE 4 2HG1 ILE 4 4.273 8.867 -8.896 28 2HG1 ILE 4 1HG1 ILE 4 6.027 9.005 -8.884 29 1HG2 ILE 4 1HG2 ILE 4 6.333 10.145 -5.392 30 2HG2 ILE 4 2HG2 ILE 4 7.219 9.726 -6.860 31 3HG2 ILE 4 3HG2 ILE 4 6.474 8.458 -5.886 32 1HD1 ILE 4 1HD1 ILE 4 5.318 6.684 -8.931 33 2HD1 ILE 4 2HD1 ILE 4 4.413 6.919 -7.436 34 3HD1 ILE 4 3HD1 ILE 4 6.171 7.051 -7.430 35 H GLU 5 H GLU 5 2.153 9.077 -4.365 36 HA GLU 5 HA GLU 5 3.339 10.574 -2.333 37 1HB GLU 5 2HB GLU 5 2.478 12.328 -4.211 38 2HB GLU 5 1HB GLU 5 0.988 12.128 -3.300 39 1HG GLU 5 2HG GLU 5 2.098 12.821 -1.263 40 2HG GLU 5 1HG GLU 5 3.638 12.932 -2.109 41 H VAL 6 H VAL 6 1.027 11.456 -1.011 42 HA VAL 6 HA VAL 6 0.052 8.957 -0.081 43 HB VAL 6 HB VAL 6 -1.353 10.260 1.449 44 1HG1 VAL 6 1HG1 VAL 6 0.458 11.486 2.598 45 2HG1 VAL 6 2HG1 VAL 6 1.463 11.300 1.163 46 3HG1 VAL 6 3HG1 VAL 6 0.950 9.876 2.069 47 1HG2 VAL 6 1HG2 VAL 6 -0.359 12.669 -0.083 48 2HG2 VAL 6 2HG2 VAL 6 -1.303 12.716 1.407 49 3HG2 VAL 6 3HG2 VAL 6 -2.013 12.058 -0.067 50 HN2 GLY 7 H GLY 7 -1.988 8.060 -0.210 51 1HA GLY 7 2HA GLY 7 -4.304 8.098 -0.677 52 2HA GLY 7 1HA GLY 7 -4.044 9.494 -1.711 53 H ARG 8 H ARG 8 -1.819 8.219 -3.155 54 HA ARG 8 HA ARG 8 -3.510 6.880 -5.097 55 1HB ARG 8 2HB ARG 8 -1.731 8.645 -5.643 56 2HB ARG 8 1HB ARG 8 -0.542 7.382 -5.345 57 1HG ARG 8 2HG ARG 8 -0.879 7.432 -7.675 58 2HG ARG 8 1HG ARG 8 -1.741 6.008 -7.085 59 1HD ARG 8 2HD ARG 8 -3.829 7.371 -7.061 60 2HD ARG 8 1HD ARG 8 -2.925 8.683 -7.814 61 HE ARG 8 HE ARG 8 -3.196 6.044 -9.109 62 1HH1 ARG 8 1HH1 ARG 8 -3.418 9.540 -9.213 63 2HH1 ARG 8 2HH1 ARG 8 -3.922 9.581 -10.876 64 1HH2 ARG 8 1HH2 ARG 8 -3.831 6.103 -11.289 65 2HH2 ARG 8 2HH2 ARG 8 -4.147 7.627 -12.056 66 H ILE 9 H ILE 9 -3.846 4.779 -4.971 67 HA ILE 9 HA ILE 9 -2.214 3.025 -3.434 68 HB ILE 9 HB ILE 9 -4.414 2.348 -5.397 69 1HG1 ILE 9 2HG1 ILE 9 -5.236 3.786 -3.619 70 2HG1 ILE 9 1HG1 ILE 9 -5.824 2.145 -3.364 71 1HG2 ILE 9 1HG2 ILE 9 -4.552 0.210 -4.193 72 2HG2 ILE 9 2HG2 ILE 9 -3.157 0.679 -3.220 73 3HG2 ILE 9 3HG2 ILE 9 -2.977 0.432 -4.957 74 1HD1 ILE 9 1HD1 ILE 9 -3.520 3.449 -1.927 75 2HD1 ILE 9 2HD1 ILE 9 -4.094 1.800 -1.671 76 3HD1 ILE 9 3HD1 ILE 9 -5.137 3.166 -1.275 77 H CYS 10 H CYS 10 -0.490 1.897 -4.036 78 HA CYS 10 HA CYS 10 0.065 1.675 -6.916 79 1HB CYS 10 2HB CYS 10 2.093 2.149 -4.724 80 2HB CYS 10 1HB CYS 10 2.423 2.047 -6.450 81 HG CYS 10 HG CYS 10 0.566 4.511 -4.954 82 H VAL 11 H VAL 11 1.114 -0.212 -7.597 83 HA VAL 11 HA VAL 11 0.962 -2.414 -5.644 84 HB VAL 11 HB VAL 11 -0.693 -2.607 -7.420 85 1HG1 VAL 11 1HG1 VAL 11 1.643 -2.628 -9.322 86 2HG1 VAL 11 2HG1 VAL 11 0.414 -1.370 -9.183 87 3HG1 VAL 11 3HG1 VAL 11 -0.032 -2.977 -9.753 88 1HG2 VAL 11 1HG2 VAL 11 1.516 -4.640 -7.663 89 2HG2 VAL 11 2HG2 VAL 11 -0.146 -4.868 -8.207 90 3HG2 VAL 11 3HG2 VAL 11 0.200 -4.655 -6.490 91 H LYS 12 H LYS 12 2.603 -3.826 -5.466 92 HA LYS 12 HA LYS 12 5.205 -3.006 -6.270 93 1HB LYS 12 2HB LYS 12 4.175 -5.536 -4.980 94 2HB LYS 12 1HB LYS 12 5.882 -5.216 -5.257 95 1HG LYS 12 2HG LYS 12 5.949 -3.503 -3.692 96 2HG LYS 12 1HG LYS 12 4.201 -3.267 -3.732 97 1HD LYS 12 2HD LYS 12 4.908 -4.337 -1.650 98 2HD LYS 12 1HD LYS 12 3.875 -5.403 -2.598 99 1HE LYS 12 2HE LYS 12 5.893 -6.564 -3.425 100 2HE LYS 12 1HE LYS 12 6.883 -5.529 -2.397 101 1HZ LYS 12 1HZ LYS 12 5.695 -6.400 -0.460 102 2HZ LYS 12 2HZ LYS 12 6.468 -7.648 -1.323 103 3HZ LYS 12 3HZ LYS 12 4.794 -7.429 -1.464 104 H VAL 13 H VAL 13 6.303 -3.506 -8.072 105 HA VAL 13 HA VAL 13 5.113 -5.534 -9.849 106 HB VAL 13 HB VAL 13 6.057 -4.160 -11.739 107 1HG1 VAL 13 1HG1 VAL 13 3.972 -2.859 -9.988 108 2HG1 VAL 13 2HG1 VAL 13 3.689 -4.136 -11.172 109 3HG1 VAL 13 3HG1 VAL 13 4.222 -2.543 -11.704 110 1HG2 VAL 13 1HG2 VAL 13 6.511 -1.784 -11.282 111 2HG2 VAL 13 2HG2 VAL 13 7.679 -2.847 -10.499 112 3HG2 VAL 13 3HG2 VAL 13 6.388 -2.105 -9.552 113 H LYS 14 H LYS 14 6.926 -6.465 -8.099 114 HA LYS 14 HA LYS 14 9.527 -6.563 -9.384 115 1HB LYS 14 2HB LYS 14 9.140 -6.590 -6.845 116 2HB LYS 14 1HB LYS 14 8.613 -8.250 -7.052 117 1HG LYS 14 2HG LYS 14 11.313 -7.298 -7.964 118 2HG LYS 14 1HG LYS 14 11.015 -7.880 -6.328 119 1HD LYS 14 2HD LYS 14 10.332 -10.042 -7.188 120 2HD LYS 14 1HD LYS 14 10.496 -9.464 -8.847 121 1HE LYS 14 2HE LYS 14 12.752 -9.625 -6.850 122 2HE LYS 14 1HE LYS 14 12.414 -10.841 -8.082 123 1HZ LYS 14 1HZ LYS 14 12.808 -9.201 -9.791 124 2HZ LYS 14 2HZ LYS 14 14.155 -9.283 -8.766 125 3HZ LYS 14 3HZ LYS 14 13.064 -7.991 -8.630 126 HN2 GLY 15 H GLY 15 9.903 -7.905 -11.019 127 1HA GLY 15 2HA GLY 15 9.964 -9.937 -12.166 128 2HA GLY 15 1HA GLY 15 8.814 -10.597 -11.013 129 H ARG 16 H ARG 16 6.571 -9.843 -11.189 130 HA ARG 16 HA ARG 16 5.864 -8.709 -13.788 131 1HB ARG 16 2HB ARG 16 4.650 -11.219 -12.622 132 2HB ARG 16 1HB ARG 16 3.914 -10.297 -13.926 133 1HG ARG 16 2HG ARG 16 6.048 -10.653 -15.218 134 2HG ARG 16 1HG ARG 16 6.511 -11.801 -13.962 135 1HD ARG 16 2HD ARG 16 4.008 -11.961 -15.631 136 2HD ARG 16 1HD ARG 16 5.478 -12.889 -15.916 137 HE ARG 16 HE ARG 16 3.688 -13.193 -13.592 138 1HH1 ARG 16 1HH1 ARG 16 6.237 -14.379 -15.658 139 2HH1 ARG 16 2HH1 ARG 16 6.152 -16.012 -15.062 140 1HH2 ARG 16 1HH2 ARG 16 3.557 -15.350 -12.789 141 2HH2 ARG 16 2HH2 ARG 16 4.627 -16.558 -13.443 142 H GLU 17 H GLU 17 3.958 -10.099 -11.144 143 HA GLU 17 HA GLU 17 3.064 -7.425 -10.355 144 1HB GLU 17 2HB GLU 17 1.144 -9.664 -11.047 145 2HB GLU 17 1HB GLU 17 0.708 -8.069 -10.451 146 1HG GLU 17 2HG GLU 17 1.471 -7.035 -12.468 147 2HG GLU 17 1HG GLU 17 2.130 -8.560 -13.055 148 H ALA 18 H ALA 18 3.111 -7.288 -8.191 149 HA ALA 18 HA ALA 18 3.130 -9.784 -6.659 150 1HB ALA 18 1HB ALA 18 5.050 -8.295 -6.333 151 2HB ALA 18 2HB ALA 18 4.121 -8.508 -4.851 152 3HB ALA 18 3HB ALA 18 3.958 -7.021 -5.786 153 HN2 GLY 19 H GLY 19 1.614 -10.254 -5.203 154 1HA GLY 19 2HA GLY 19 -0.850 -8.774 -5.330 155 2HA GLY 19 1HA GLY 19 -0.580 -10.278 -4.462 156 H SER 20 H SER 20 1.132 -7.217 -4.186 157 HA SER 20 HA SER 20 0.029 -6.885 -1.475 158 1HB SER 20 2HB SER 20 2.893 -6.253 -2.202 159 2HB SER 20 1HB SER 20 2.168 -6.305 -0.595 160 HG SER 20 HG SER 20 1.715 -8.654 -1.452 161 H LYS 21 H LYS 21 -1.150 -5.082 -1.536 162 HA LYS 21 HA LYS 21 -0.175 -2.800 -3.107 163 1HB LYS 21 2HB LYS 21 -2.900 -3.306 -1.878 164 2HB LYS 21 1HB LYS 21 -2.448 -1.840 -2.736 165 1HG LYS 21 2HG LYS 21 -3.557 -3.002 -4.368 166 2HG LYS 21 1HG LYS 21 -1.890 -3.479 -4.684 167 1HD LYS 21 2HD LYS 21 -2.264 -5.543 -3.389 168 2HD LYS 21 1HD LYS 21 -3.944 -5.065 -3.142 169 1HE LYS 21 2HE LYS 21 -4.186 -5.002 -5.647 170 2HE LYS 21 1HE LYS 21 -2.584 -5.727 -5.750 171 1HZ LYS 21 1HZ LYS 21 -4.950 -6.923 -4.414 172 2HZ LYS 21 2HZ LYS 21 -3.414 -7.621 -4.474 173 3HZ LYS 21 3HZ LYS 21 -4.305 -7.411 -5.904 174 H CYS 22 H CYS 22 0.319 -0.850 -2.115 175 HA CYS 22 HA CYS 22 0.061 -0.702 0.798 176 1HB CYS 22 2HB CYS 22 2.684 -0.381 -0.677 177 2HB CYS 22 1HB CYS 22 2.437 -0.075 1.037 178 HG CYS 22 HG CYS 22 1.346 -3.041 0.697 179 H VAL 23 H VAL 23 0.521 1.466 1.639 180 HA VAL 23 HA VAL 23 0.020 3.551 -0.391 181 HB VAL 23 HB VAL 23 -0.955 3.582 2.475 182 1HG1 VAL 23 1HG1 VAL 23 -1.627 5.363 0.134 183 2HG1 VAL 23 2HG1 VAL 23 -0.612 5.797 1.509 184 3HG1 VAL 23 3HG1 VAL 23 -2.328 5.467 1.749 185 1HG2 VAL 23 1HG2 VAL 23 -2.508 2.977 -0.038 186 2HG2 VAL 23 2HG2 VAL 23 -3.188 3.164 1.579 187 3HG2 VAL 23 3HG2 VAL 23 -2.095 1.824 1.232 188 H ILE 24 H ILE 24 1.248 5.390 -0.270 189 HA ILE 24 HA ILE 24 3.427 5.436 1.679 190 HB ILE 24 HB ILE 24 2.905 7.290 -0.656 191 1HG1 ILE 24 2HG1 ILE 24 4.786 4.924 -0.465 192 2HG1 ILE 24 1HG1 ILE 24 3.272 4.944 -1.361 193 1HG2 ILE 24 1HG2 ILE 24 4.315 8.283 1.069 194 2HG2 ILE 24 2HG2 ILE 24 5.256 7.930 -0.382 195 3HG2 ILE 24 3HG2 ILE 24 5.376 6.874 1.026 196 1HD1 ILE 24 1HD1 ILE 24 5.656 6.691 -1.923 197 2HD1 ILE 24 2HD1 ILE 24 4.154 6.652 -2.845 198 3HD1 ILE 24 3HD1 ILE 24 5.207 5.237 -2.816 199 H VAL 25 H VAL 25 3.475 6.857 3.382 200 HA VAL 25 HA VAL 25 1.314 8.859 3.463 201 HB VAL 25 HB VAL 25 1.301 8.555 5.970 202 1HG1 VAL 25 1HG1 VAL 25 -0.484 7.704 4.574 203 2HG1 VAL 25 2HG1 VAL 25 -0.135 6.556 5.865 204 3HG1 VAL 25 3HG1 VAL 25 0.445 6.246 4.230 205 1HG2 VAL 25 1HG2 VAL 25 2.109 6.425 6.855 206 2HG2 VAL 25 2HG2 VAL 25 3.438 7.369 6.181 207 3HG2 VAL 25 3HG2 VAL 25 2.772 6.010 5.272 208 H ASP 26 H ASP 26 4.642 8.140 4.410 209 HA ASP 26 HA ASP 26 4.983 11.007 4.991 210 1HB ASP 26 2HB ASP 26 4.956 9.677 7.091 211 2HB ASP 26 1HB ASP 26 6.320 8.742 6.492 212 H ILE 27 H ILE 27 6.523 11.974 3.882 213 HA ILE 27 HA ILE 27 8.263 10.329 2.196 214 HB ILE 27 HB ILE 27 7.798 13.315 2.106 215 1HG1 ILE 27 2HG1 ILE 27 5.750 12.064 1.581 216 2HG1 ILE 27 1HG1 ILE 27 6.392 12.868 0.152 217 1HG2 ILE 27 1HG2 ILE 27 9.177 11.460 0.171 218 2HG2 ILE 27 2HG2 ILE 27 9.938 12.704 1.163 219 3HG2 ILE 27 3HG2 ILE 27 8.828 13.163 -0.128 220 1HD1 ILE 27 1HD1 ILE 27 6.707 9.946 0.823 221 2HD1 ILE 27 2HD1 ILE 27 7.329 10.754 -0.616 222 3HD1 ILE 27 3HD1 ILE 27 5.589 10.630 -0.359 223 H ILE 28 H ILE 28 10.026 9.736 3.312 224 HA ILE 28 HA ILE 28 11.329 11.470 5.209 225 HB ILE 28 HB ILE 28 12.306 8.834 4.086 226 1HG1 ILE 28 2HG1 ILE 28 10.097 8.567 5.111 227 2HG1 ILE 28 1HG1 ILE 28 11.340 7.803 6.095 228 1HG2 ILE 28 1HG2 ILE 28 13.061 10.327 6.596 229 2HG2 ILE 28 2HG2 ILE 28 14.059 10.121 5.157 230 3HG2 ILE 28 3HG2 ILE 28 13.639 8.722 6.144 231 1HD1 ILE 28 1HD1 ILE 28 11.313 9.714 7.609 232 2HD1 ILE 28 2HD1 ILE 28 9.719 8.971 7.467 233 3HD1 ILE 28 3HD1 ILE 28 10.067 10.478 6.621 234 H ASP 29 H ASP 29 11.993 10.190 2.004 235 HA ASP 29 HA ASP 29 13.770 12.403 1.407 236 1HB ASP 29 2HB ASP 29 15.253 10.692 2.418 237 2HB ASP 29 1HB ASP 29 14.703 9.516 1.239 238 H ASP 30 H ASP 30 14.713 11.607 -1.001 239 HA ASP 30 HA ASP 30 12.273 11.408 -2.569 240 1HB ASP 30 2HB ASP 30 15.133 12.056 -3.291 241 2HB ASP 30 1HB ASP 30 13.867 11.862 -4.496 242 H ASN 31 H ASN 31 14.927 9.465 -1.571 243 HA ASN 31 HA ASN 31 14.141 7.365 -3.485 244 1HB ASN 31 2HB ASN 31 16.563 7.951 -3.359 245 2HB ASN 31 1HB ASN 31 16.569 7.458 -1.670 246 1HD2 ASN 31 1HD2 ASN 31 16.477 6.411 -4.969 247 2HD2 ASN 31 2HD2 ASN 31 16.728 4.727 -4.650 248 H PHE 32 H PHE 32 14.319 8.174 -0.086 249 HA PHE 32 HA PHE 32 13.226 5.535 0.618 250 1HB PHE 32 2HB PHE 32 14.664 7.559 2.346 251 2HB PHE 32 1HB PHE 32 14.009 6.032 2.917 252 HD1 PHE 32 HD1 PHE 32 14.988 3.898 2.088 253 HD2 PHE 32 HD2 PHE 32 16.763 7.681 1.287 254 HE1 PHE 32 HE1 PHE 32 17.104 2.781 1.529 255 HE2 PHE 32 HE2 PHE 32 18.885 6.570 0.718 256 HZ PHE 32 HZ PHE 32 19.056 4.114 0.840 257 H VAL 33 H VAL 33 11.267 5.376 1.545 258 HA VAL 33 HA VAL 33 9.958 7.830 2.497 259 HB VAL 33 HB VAL 33 7.833 7.122 1.410 260 1HG1 VAL 33 1HG1 VAL 33 9.191 8.864 0.389 261 2HG1 VAL 33 2HG1 VAL 33 8.411 7.878 -0.850 262 3HG1 VAL 33 3HG1 VAL 33 10.121 7.646 -0.485 263 1HG2 VAL 33 1HG2 VAL 33 7.887 5.504 -0.417 264 2HG2 VAL 33 2HG2 VAL 33 8.366 4.747 1.099 265 3HG2 VAL 33 3HG2 VAL 33 9.589 5.176 -0.096 266 H LEU 34 H LEU 34 7.800 7.203 3.609 267 HA LEU 34 HA LEU 34 8.187 4.668 5.060 268 1HB LEU 34 2HB LEU 34 8.160 6.916 6.319 269 2HB LEU 34 1HB LEU 34 6.446 6.965 5.954 270 HG LEU 34 HG LEU 34 7.714 4.680 7.460 271 1HD1 LEU 34 1HD1 LEU 34 8.137 6.769 8.664 272 2HD1 LEU 34 2HD1 LEU 34 6.970 5.755 9.512 273 3HD1 LEU 34 3HD1 LEU 34 6.417 7.154 8.593 274 1HD2 LEU 34 1HD2 LEU 34 5.516 4.222 6.498 275 2HD2 LEU 34 2HD2 LEU 34 4.867 5.664 7.277 276 3HD2 LEU 34 3HD2 LEU 34 5.426 4.311 8.260 277 H VAL 35 H VAL 35 6.906 3.107 4.374 278 HA VAL 35 HA VAL 35 4.383 3.829 3.056 279 HB VAL 35 HB VAL 35 4.467 1.579 2.022 280 1HG1 VAL 35 1HG1 VAL 35 6.263 2.071 0.427 281 2HG1 VAL 35 2HG1 VAL 35 6.912 3.280 1.535 282 3HG1 VAL 35 3HG1 VAL 35 5.324 3.513 0.807 283 1HG2 VAL 35 1HG2 VAL 35 6.577 0.306 2.096 284 2HG2 VAL 35 2HG2 VAL 35 5.801 0.412 3.675 285 3HG2 VAL 35 3HG2 VAL 35 7.192 1.432 3.308 286 H THR 36 H THR 36 2.499 2.681 3.526 287 HA THR 36 HA THR 36 2.592 1.109 6.003 288 HB THR 36 HB THR 36 1.695 3.315 6.524 289 HG1 THR 36 HG1 THR 36 -0.521 2.514 7.134 290 1HG2 THR 36 1HG2 THR 36 -0.406 4.101 5.537 291 2HG2 THR 36 2HG2 THR 36 -0.407 2.722 4.437 292 3HG2 THR 36 3HG2 THR 36 0.859 3.947 4.319 293 HN2 GLY 37 H GLY 37 1.422 -0.722 6.038 294 1HA GLY 37 2HA GLY 37 -0.118 -1.368 3.617 295 2HA GLY 37 1HA GLY 37 0.636 -2.556 4.677 296 HA PRO 38 HA PRO 38 -3.836 -1.554 5.950 297 1HB PRO 38 2HB PRO 38 -5.164 -3.615 4.783 298 2HB PRO 38 1HB PRO 38 -4.950 -2.043 4.007 299 1HG PRO 38 2HG PRO 38 -3.472 -4.591 3.568 300 2HG PRO 38 1HG PRO 38 -3.981 -3.373 2.388 301 1HD PRO 38 2HD PRO 38 -1.429 -3.591 3.353 302 2HD PRO 38 1HD PRO 38 -2.130 -2.076 2.753 303 H LYS 39 H LYS 39 -3.108 -2.149 7.984 304 HA LYS 39 HA LYS 39 -2.644 -4.837 8.746 305 1HB LYS 39 2HB LYS 39 -1.509 -2.925 9.821 306 2HB LYS 39 1HB LYS 39 -3.056 -2.335 10.405 307 1HG LYS 39 2HG LYS 39 -2.386 -5.095 11.169 308 2HG LYS 39 1HG LYS 39 -1.355 -3.834 11.854 309 1HD LYS 39 2HD LYS 39 -3.321 -2.675 12.703 310 2HD LYS 39 1HD LYS 39 -4.366 -3.906 11.990 311 1HE LYS 39 2HE LYS 39 -3.366 -5.601 13.433 312 2HE LYS 39 1HE LYS 39 -2.295 -4.384 14.130 313 1HZ LYS 39 1HZ LYS 39 -5.260 -4.293 14.259 314 2HZ LYS 39 2HZ LYS 39 -4.177 -3.223 15.015 315 3HZ LYS 39 3HZ LYS 39 -4.255 -4.837 15.518 316 H ASP 40 H ASP 40 -3.937 -6.067 9.966 317 HA ASP 40 HA ASP 40 -5.814 -7.093 10.696 318 1HB ASP 40 2HB ASP 40 -6.933 -4.319 10.499 319 2HB ASP 40 1HB ASP 40 -7.987 -5.696 10.763 320 H ILE 41 H ILE 41 -5.845 -5.234 7.764 321 HA ILE 41 HA ILE 41 -7.971 -6.783 6.573 322 HB ILE 41 HB ILE 41 -6.038 -4.816 5.336 323 1HG1 ILE 41 2HG1 ILE 41 -8.950 -4.512 6.122 324 2HG1 ILE 41 1HG1 ILE 41 -7.580 -3.837 7.001 325 1HG2 ILE 41 1HG2 ILE 41 -6.840 -6.390 3.669 326 2HG2 ILE 41 2HG2 ILE 41 -7.569 -4.803 3.415 327 3HG2 ILE 41 3HG2 ILE 41 -8.506 -6.095 4.167 328 1HD1 ILE 41 1HD1 ILE 41 -7.027 -2.457 5.063 329 2HD1 ILE 41 2HD1 ILE 41 -8.660 -2.147 5.651 330 3HD1 ILE 41 3HD1 ILE 41 -8.413 -3.122 4.201 331 H THR 42 H THR 42 -4.517 -6.327 5.769 332 HA THR 42 HA THR 42 -4.480 -9.121 4.840 333 HB THR 42 HB THR 42 -2.374 -8.435 3.612 334 HG1 THR 42 HG1 THR 42 -2.605 -5.974 3.196 335 1HG2 THR 42 1HG2 THR 42 -4.952 -7.066 2.835 336 2HG2 THR 42 2HG2 THR 42 -4.499 -8.726 2.450 337 3HG2 THR 42 3HG2 THR 42 -3.591 -7.382 1.759 338 HN2 GLY 43 H GLY 43 -2.394 -6.663 6.357 339 1HA GLY 43 2HA GLY 43 -1.516 -7.276 8.608 340 2HA GLY 43 1HA GLY 43 -1.139 -8.845 7.913 341 H VAL 44 H VAL 44 -0.631 -6.261 5.777 342 HA VAL 44 HA VAL 44 2.158 -6.705 5.622 343 HB VAL 44 HB VAL 44 0.578 -4.348 4.564 344 1HG1 VAL 44 1HG1 VAL 44 3.297 -5.397 3.768 345 2HG1 VAL 44 2HG1 VAL 44 2.972 -3.889 4.625 346 3HG1 VAL 44 3HG1 VAL 44 2.419 -4.097 2.963 347 1HG2 VAL 44 1HG2 VAL 44 0.531 -5.591 2.440 348 2HG2 VAL 44 2HG2 VAL 44 -0.304 -6.461 3.727 349 3HG2 VAL 44 3HG2 VAL 44 1.312 -6.960 3.234 350 H LYS 45 H LYS 45 3.777 -5.876 6.759 351 HA LYS 45 HA LYS 45 3.213 -4.096 8.945 352 1HB LYS 45 2HB LYS 45 5.558 -4.437 9.557 353 2HB LYS 45 1HB LYS 45 4.740 -5.962 9.257 354 1HG LYS 45 2HG LYS 45 5.740 -5.886 6.934 355 2HG LYS 45 1HG LYS 45 6.745 -4.559 7.518 356 1HD LYS 45 2HD LYS 45 6.643 -7.366 8.622 357 2HD LYS 45 1HD LYS 45 7.962 -6.642 7.702 358 1HE LYS 45 2HE LYS 45 8.420 -5.087 9.473 359 2HE LYS 45 1HE LYS 45 6.991 -5.611 10.364 360 1HZ LYS 45 1HZ LYS 45 8.905 -6.626 11.324 361 2HZ LYS 45 2HZ LYS 45 9.443 -7.199 9.822 362 3HZ LYS 45 3HZ LYS 45 8.031 -7.840 10.516 363 H ARG 46 H ARG 46 4.567 -2.178 9.394 364 HA ARG 46 HA ARG 46 4.959 -0.632 6.915 365 1HB ARG 46 2HB ARG 46 3.907 1.298 8.136 366 2HB ARG 46 1HB ARG 46 2.805 -0.023 7.771 367 1HG ARG 46 2HG ARG 46 3.055 -0.844 10.075 368 2HG ARG 46 1HG ARG 46 4.114 0.522 10.428 369 1HD ARG 46 2HD ARG 46 1.821 0.912 11.202 370 2HD ARG 46 1HD ARG 46 2.308 2.074 9.970 371 HE ARG 46 HE ARG 46 1.051 0.487 8.401 372 1HH1 ARG 46 1HH1 ARG 46 0.164 1.046 11.737 373 2HH1 ARG 46 2HH1 ARG 46 -1.526 0.770 11.465 374 1HH2 ARG 46 1HH2 ARG 46 -1.174 0.133 8.034 375 2HH2 ARG 46 2HH2 ARG 46 -2.301 0.300 9.358 376 H ARG 47 H ARG 47 6.777 0.562 6.817 377 HA ARG 47 HA ARG 47 7.908 1.889 9.025 378 1HB ARG 47 2HB ARG 47 9.841 0.702 9.545 379 2HB ARG 47 1HB ARG 47 8.623 -0.555 9.432 380 1HG ARG 47 2HG ARG 47 10.517 0.143 7.201 381 2HG ARG 47 1HG ARG 47 10.831 -1.104 8.405 382 1HD ARG 47 2HD ARG 47 8.774 -2.263 7.699 383 2HD ARG 47 1HD ARG 47 8.536 -1.039 6.451 384 HE ARG 47 HE ARG 47 11.075 -2.006 6.047 385 1HH1 ARG 47 1HH1 ARG 47 7.847 -3.363 6.097 386 2HH1 ARG 47 2HH1 ARG 47 8.240 -4.666 5.018 387 1HH2 ARG 47 1HH2 ARG 47 11.591 -3.697 4.637 388 2HH2 ARG 47 2HH2 ARG 47 10.375 -4.859 4.188 389 H ARG 48 H ARG 48 10.358 2.527 8.329 390 HA ARG 48 HA ARG 48 10.016 3.876 5.799 391 1HB ARG 48 2HB ARG 48 12.333 3.853 7.746 392 2HB ARG 48 1HB ARG 48 12.194 4.917 6.354 393 1HG ARG 48 2HG ARG 48 10.257 5.988 7.301 394 2HG ARG 48 1HG ARG 48 10.247 4.845 8.645 395 1HD ARG 48 2HD ARG 48 12.398 5.692 9.406 396 2HD ARG 48 1HD ARG 48 12.459 6.805 8.038 397 HE ARG 48 HE ARG 48 10.121 7.427 9.272 398 1HH1 ARG 48 1HH1 ARG 48 13.420 7.134 10.415 399 2HH1 ARG 48 2HH1 ARG 48 13.240 8.381 11.616 400 1HH2 ARG 48 1HH2 ARG 48 9.886 9.042 10.867 401 2HH2 ARG 48 2HH2 ARG 48 11.244 9.454 11.872 402 H VAL 49 H VAL 49 10.891 3.368 3.893 403 HA VAL 49 HA VAL 49 13.129 1.569 3.623 404 HB VAL 49 HB VAL 49 11.114 0.078 3.985 405 1HG1 VAL 49 1HG1 VAL 49 9.464 1.420 2.811 406 2HG1 VAL 49 2HG1 VAL 49 9.542 -0.214 2.151 407 3HG1 VAL 49 3HG1 VAL 49 10.296 1.126 1.285 408 1HG2 VAL 49 1HG2 VAL 49 13.180 -0.653 2.815 409 2HG2 VAL 49 2HG2 VAL 49 12.403 -0.246 1.285 410 3HG2 VAL 49 3HG2 VAL 49 11.727 -1.512 2.307 411 H ASN 50 H ASN 50 13.477 1.206 1.122 412 HA ASN 50 HA ASN 50 13.414 3.775 -0.107 413 1HB ASN 50 2HB ASN 50 14.586 2.775 -1.944 414 2HB ASN 50 1HB ASN 50 15.233 2.092 -0.459 415 1HD2 ASN 50 1HD2 ASN 50 15.199 1.100 -3.237 416 2HD2 ASN 50 2HD2 ASN 50 14.502 -0.482 -3.156 417 H ILE 51 H ILE 51 12.810 3.598 -2.662 418 HA ILE 51 HA ILE 51 10.047 3.823 -2.752 419 HB ILE 51 HB ILE 51 10.319 3.873 -5.226 420 1HG1 ILE 51 2HG1 ILE 51 13.227 3.390 -4.552 421 2HG1 ILE 51 1HG1 ILE 51 12.171 2.278 -5.413 422 1HG2 ILE 51 1HG2 ILE 51 10.501 5.896 -3.909 423 2HG2 ILE 51 2HG2 ILE 51 11.662 5.939 -5.236 424 3HG2 ILE 51 3HG2 ILE 51 12.206 5.567 -3.599 425 1HD1 ILE 51 1HD1 ILE 51 13.645 3.447 -6.937 426 2HD1 ILE 51 2HD1 ILE 51 13.020 4.998 -6.372 427 3HD1 ILE 51 3HD1 ILE 51 11.960 3.880 -7.235 428 H LEU 52 H LEU 52 12.017 0.998 -3.192 429 HA LEU 52 HA LEU 52 11.441 -1.197 -3.141 430 1HB LEU 52 2HB LEU 52 9.661 -0.467 -1.605 431 2HB LEU 52 1HB LEU 52 8.599 -0.199 -2.971 432 HG LEU 52 HG LEU 52 8.714 -2.631 -3.485 433 1HD1 LEU 52 1HD1 LEU 52 10.873 -3.112 -2.454 434 2HD1 LEU 52 2HD1 LEU 52 9.611 -4.156 -1.798 435 3HD1 LEU 52 3HD1 LEU 52 10.196 -2.778 -0.862 436 1HD2 LEU 52 1HD2 LEU 52 7.780 -1.886 -0.717 437 2HD2 LEU 52 2HD2 LEU 52 7.301 -3.336 -1.599 438 3HD2 LEU 52 3HD2 LEU 52 6.855 -1.744 -2.213 439 H HIS 53 H HIS 53 10.385 0.896 -5.568 440 HA HIS 53 HA HIS 53 10.076 0.646 -7.797 441 1HB HIS 53 2HB HIS 53 11.972 -0.887 -7.826 442 2HB HIS 53 1HB HIS 53 10.948 -2.214 -7.296 443 HD1 HIS 53 HD1 HIS 53 10.253 -3.712 -9.122 444 HD2 HIS 53 HD2 HIS 53 10.988 0.134 -10.500 445 HE1 HIS 53 HE1 HIS 53 9.941 -3.823 -11.611 446 HE2 HIS 53 HE2 HIS 53 10.326 -1.469 -12.425 447 H LEU 54 H LEU 54 7.919 1.113 -7.459 448 HA LEU 54 HA LEU 54 6.113 -1.127 -7.978 449 1HB LEU 54 2HB LEU 54 4.573 -0.525 -6.306 450 2HB LEU 54 1HB LEU 54 6.135 -0.525 -5.521 451 HG LEU 54 HG LEU 54 4.558 1.912 -6.368 452 1HD1 LEU 54 1HD1 LEU 54 4.376 2.322 -3.976 453 2HD1 LEU 54 2HD1 LEU 54 5.260 0.834 -3.643 454 3HD1 LEU 54 3HD1 LEU 54 3.673 0.765 -4.406 455 1HD2 LEU 54 1HD2 LEU 54 6.928 2.373 -6.605 456 2HD2 LEU 54 2HD2 LEU 54 7.236 1.733 -4.992 457 3HD2 LEU 54 3HD2 LEU 54 6.287 3.208 -5.190 458 H GLU 55 H GLU 55 3.938 -0.337 -8.737 459 HA GLU 55 HA GLU 55 4.211 2.209 -10.183 460 1HB GLU 55 2HB GLU 55 3.141 -0.419 -11.205 461 2HB GLU 55 1HB GLU 55 2.848 1.115 -12.008 462 1HG GLU 55 2HG GLU 55 5.296 1.428 -12.209 463 2HG GLU 55 1HG GLU 55 5.518 -0.180 -11.525 464 HA PRO 56 HA PRO 56 0.349 3.117 -8.197 465 1HB PRO 56 2HB PRO 56 0.023 5.323 -10.065 466 2HB PRO 56 1HB PRO 56 0.370 5.376 -8.336 467 1HG PRO 56 2HG PRO 56 2.172 6.097 -10.237 468 2HG PRO 56 1HG PRO 56 2.636 5.431 -8.662 469 1HD PRO 56 2HD PRO 56 2.486 4.077 -11.328 470 2HD PRO 56 1HD PRO 56 3.699 3.906 -10.042 471 H THR 57 H THR 57 -1.757 2.667 -8.520 472 HA THR 57 HA THR 57 -2.593 1.934 -11.236 473 HB THR 57 HB THR 57 -4.553 0.872 -10.092 474 HG1 THR 57 HG1 THR 57 -3.149 1.779 -7.796 475 1HG2 THR 57 1HG2 THR 57 -3.305 -1.036 -9.194 476 2HG2 THR 57 2HG2 THR 57 -1.838 -0.060 -9.158 477 3HG2 THR 57 3HG2 THR 57 -2.596 -0.456 -10.701 478 H ASP 58 H ASP 58 -5.156 2.383 -11.475 479 HA ASP 58 HA ASP 58 -5.348 5.262 -11.354 480 1HB ASP 58 2HB ASP 58 -6.801 3.110 -12.749 481 2HB ASP 58 1HB ASP 58 -7.797 4.481 -12.270 482 H LYS 59 H LYS 59 -6.925 2.512 -9.809 483 HA LYS 59 HA LYS 59 -8.753 4.184 -8.363 484 1HB LYS 59 2HB LYS 59 -7.983 1.289 -8.000 485 2HB LYS 59 1HB LYS 59 -9.215 2.101 -7.046 486 1HG LYS 59 2HG LYS 59 -10.497 2.544 -9.080 487 2HG LYS 59 1HG LYS 59 -9.267 1.717 -10.034 488 1HD LYS 59 2HD LYS 59 -9.721 -0.364 -8.858 489 2HD LYS 59 1HD LYS 59 -10.909 0.453 -7.839 490 1HE LYS 59 2HE LYS 59 -12.284 0.934 -9.775 491 2HE LYS 59 1HE LYS 59 -11.069 0.229 -10.841 492 1HZ LYS 59 1HZ LYS 59 -12.648 -1.226 -8.786 493 2HZ LYS 59 2HZ LYS 59 -11.441 -1.914 -9.763 494 3HZ LYS 59 3HZ LYS 59 -12.860 -1.311 -10.466 495 H LYS 60 H LYS 60 -8.533 5.027 -6.390 496 HA LYS 60 HA LYS 60 -6.229 4.410 -4.747 497 1HB LYS 60 2HB LYS 60 -5.514 6.720 -4.664 498 2HB LYS 60 1HB LYS 60 -5.459 6.152 -6.320 499 1HG LYS 60 2HG LYS 60 -7.346 7.403 -6.919 500 2HG LYS 60 1HG LYS 60 -7.800 7.678 -5.235 501 1HD LYS 60 2HD LYS 60 -5.705 8.998 -4.955 502 2HD LYS 60 1HD LYS 60 -5.418 8.826 -6.687 503 1HE LYS 60 2HE LYS 60 -6.471 10.978 -6.117 504 2HE LYS 60 1HE LYS 60 -7.468 9.991 -7.182 505 1HZ LYS 60 1HZ LYS 60 -8.596 11.132 -5.218 506 2HZ LYS 60 2HZ LYS 60 -7.863 9.942 -4.254 507 3HZ LYS 60 3HZ LYS 60 -8.941 9.493 -5.483 508 H ILE 61 H ILE 61 -6.400 6.459 -2.978 509 HA ILE 61 HA ILE 61 -9.209 6.454 -2.093 510 HB ILE 61 HB ILE 61 -8.346 6.639 0.254 511 1HG1 ILE 61 2HG1 ILE 61 -5.734 5.837 -1.038 512 2HG1 ILE 61 1HG1 ILE 61 -6.071 7.383 -0.271 513 1HG2 ILE 61 1HG2 ILE 61 -9.221 4.544 -0.578 514 2HG2 ILE 61 2HG2 ILE 61 -7.848 4.242 0.486 515 3HG2 ILE 61 3HG2 ILE 61 -7.651 4.130 -1.263 516 1HD1 ILE 61 1HD1 ILE 61 -6.020 4.708 1.108 517 2HD1 ILE 61 2HD1 ILE 61 -6.342 6.264 1.875 518 3HD1 ILE 61 3HD1 ILE 61 -4.758 5.937 1.170 519 H ASP 62 H ASP 62 -9.035 8.290 -0.066 520 HA ASP 62 HA ASP 62 -7.883 10.700 -1.260 521 1HB ASP 62 2HB ASP 62 -10.237 10.421 -2.081 522 2HB ASP 62 1HB ASP 62 -10.783 10.485 -0.411 523 H ILE 63 H ILE 63 -6.470 11.000 0.413 524 HA ILE 63 HA ILE 63 -7.617 11.431 3.078 525 HB ILE 63 HB ILE 63 -5.678 10.290 4.122 526 1HG1 ILE 63 2HG1 ILE 63 -5.148 9.216 1.344 527 2HG1 ILE 63 1HG1 ILE 63 -4.172 10.449 2.141 528 1HG2 ILE 63 1HG2 ILE 63 -7.363 8.540 2.342 529 2HG2 ILE 63 2HG2 ILE 63 -7.802 9.133 3.945 530 3HG2 ILE 63 3HG2 ILE 63 -6.463 8.000 3.761 531 1HD1 ILE 63 1HD1 ILE 63 -3.592 8.838 3.889 532 2HD1 ILE 63 2HD1 ILE 63 -3.121 8.270 2.287 533 3HD1 ILE 63 3HD1 ILE 63 -4.557 7.609 3.070 534 H GLN 64 H GLN 64 -5.817 12.315 4.561 535 HA GLN 64 HA GLN 64 -4.500 14.521 3.170 536 1HB GLN 64 2HB GLN 64 -5.894 15.069 5.104 537 2HB GLN 64 1HB GLN 64 -4.965 13.971 6.112 538 1HG GLN 64 2HG GLN 64 -2.994 15.388 5.839 539 2HG GLN 64 1HG GLN 64 -3.929 16.489 4.828 540 1HE2 GLN 64 1HE2 GLN 64 -5.491 17.788 5.772 541 2HE2 GLN 64 2HE2 GLN 64 -5.574 18.053 7.479 542 H LYS 65 H LYS 65 -2.274 14.896 3.307 543 HA LYS 65 HA LYS 65 -0.663 12.562 3.502 544 1HB LYS 65 2HB LYS 65 -0.110 14.359 1.951 545 2HB LYS 65 1HB LYS 65 0.133 15.470 3.294 546 1HG LYS 65 2HG LYS 65 2.117 14.436 3.948 547 2HG LYS 65 1HG LYS 65 1.749 12.960 3.054 548 1HD LYS 65 2HD LYS 65 3.501 14.319 1.971 549 2HD LYS 65 1HD LYS 65 2.083 14.093 0.951 550 1HE LYS 65 2HE LYS 65 1.278 16.324 1.610 551 2HE LYS 65 1HE LYS 65 2.731 16.549 2.582 552 1HZ LYS 65 1HZ LYS 65 2.698 16.104 -0.362 553 2HZ LYS 65 2HZ LYS 65 4.070 16.410 0.598 554 3HZ LYS 65 3HZ LYS 65 2.889 17.612 0.399 555 HN2 GLY 66 H GLY 66 -0.087 11.618 5.308 556 1HA GLY 66 2HA GLY 66 1.246 11.766 7.354 557 2HA GLY 66 1HA GLY 66 0.438 13.294 7.680 558 H ALA 67 H ALA 67 -1.825 11.317 6.381 559 HA ALA 67 HA ALA 67 -3.380 11.072 8.670 560 1HB ALA 67 1HB ALA 67 -3.509 9.361 6.193 561 2HB ALA 67 2HB ALA 67 -4.255 10.950 6.384 562 3HB ALA 67 3HB ALA 67 -4.799 9.596 7.375 563 H SER 68 H SER 68 -3.860 9.391 10.066 564 HA SER 68 HA SER 68 -1.696 7.467 10.410 565 1HB SER 68 2HB SER 68 -4.033 8.088 12.233 566 2HB SER 68 1HB SER 68 -2.611 7.126 12.640 567 HG SER 68 HG SER 68 -2.496 9.842 11.825 568 H ASP 69 H ASP 69 -2.578 5.288 11.444 569 HA ASP 69 HA ASP 69 -3.586 3.817 9.307 570 1HB ASP 69 2HB ASP 69 -2.275 2.709 10.963 571 2HB ASP 69 1HB ASP 69 -3.403 3.146 12.242 572 H GLU 70 H GLU 70 -5.281 5.080 12.148 573 HA GLU 70 HA GLU 70 -7.729 3.799 11.812 574 1HB GLU 70 2HB GLU 70 -6.916 5.316 13.719 575 2HB GLU 70 1HB GLU 70 -7.458 6.657 12.728 576 1HG GLU 70 2HG GLU 70 -9.446 4.535 13.120 577 2HG GLU 70 1HG GLU 70 -8.968 5.390 14.584 578 H GLU 71 H GLU 71 -6.614 6.894 10.526 579 HA GLU 71 HA GLU 71 -8.989 7.523 9.130 580 1HB GLU 71 2HB GLU 71 -7.106 9.083 9.858 581 2HB GLU 71 1HB GLU 71 -6.226 8.515 8.449 582 1HG GLU 71 2HG GLU 71 -7.771 9.467 6.965 583 2HG GLU 71 1HG GLU 71 -8.963 9.722 8.243 584 H VAL 72 H VAL 72 -5.961 5.962 8.135 585 HA VAL 72 HA VAL 72 -6.584 5.681 5.402 586 HB VAL 72 HB VAL 72 -4.889 3.863 7.132 587 1HG1 VAL 72 1HG1 VAL 72 -5.008 4.136 4.134 588 2HG1 VAL 72 2HG1 VAL 72 -5.552 2.751 5.079 589 3HG1 VAL 72 3HG1 VAL 72 -3.839 3.168 5.030 590 1HG2 VAL 72 1HG2 VAL 72 -4.093 6.161 5.355 591 2HG2 VAL 72 2HG2 VAL 72 -2.997 5.111 6.254 592 3HG2 VAL 72 3HG2 VAL 72 -4.105 6.176 7.119 593 H LYS 73 H LYS 73 -7.093 3.502 8.149 594 HA LYS 73 HA LYS 73 -8.203 1.324 6.820 595 1HB LYS 73 2HB LYS 73 -7.513 1.456 9.245 596 2HB LYS 73 1HB LYS 73 -9.016 2.309 9.566 597 1HG LYS 73 2HG LYS 73 -9.610 0.174 10.116 598 2HG LYS 73 1HG LYS 73 -10.094 0.214 8.421 599 1HD LYS 73 2HD LYS 73 -8.921 -1.737 8.391 600 2HD LYS 73 1HD LYS 73 -7.585 -0.623 8.095 601 1HE LYS 73 2HE LYS 73 -8.394 -1.732 10.784 602 2HE LYS 73 1HE LYS 73 -7.034 -2.291 9.817 603 1HZ LYS 73 1HZ LYS 73 -7.314 0.461 10.897 604 2HZ LYS 73 2HZ LYS 73 -5.969 -0.165 10.091 605 3HZ LYS 73 3HZ LYS 73 -6.394 -0.759 11.617 606 H LYS 74 H LYS 74 -9.779 4.183 8.177 607 HA LYS 74 HA LYS 74 -12.428 3.439 7.633 608 1HB LYS 74 2HB LYS 74 -11.172 6.169 7.881 609 2HB LYS 74 1HB LYS 74 -12.904 5.882 7.802 610 1HG LYS 74 2HG LYS 74 -11.079 4.767 9.916 611 2HG LYS 74 1HG LYS 74 -12.062 6.223 10.093 612 1HD LYS 74 2HD LYS 74 -14.073 4.833 9.619 613 2HD LYS 74 1HD LYS 74 -13.036 3.405 9.649 614 1HE LYS 74 2HE LYS 74 -14.217 3.859 11.805 615 2HE LYS 74 1HE LYS 74 -12.460 3.781 11.939 616 1HZ LYS 74 1HZ LYS 74 -12.308 6.099 12.133 617 2HZ LYS 74 2HZ LYS 74 -13.608 5.667 13.138 618 3HZ LYS 74 3HZ LYS 74 -13.904 6.344 11.615 619 H LYS 75 H LYS 75 -10.137 5.391 5.752 620 HA LYS 75 HA LYS 75 -11.981 6.015 3.697 621 1HB LYS 75 2HB LYS 75 -9.637 7.059 4.301 622 2HB LYS 75 1HB LYS 75 -9.055 5.890 3.120 623 1HG LYS 75 2HG LYS 75 -9.472 8.054 2.087 624 2HG LYS 75 1HG LYS 75 -10.563 6.820 1.442 625 1HD LYS 75 2HD LYS 75 -12.303 7.591 3.031 626 2HD LYS 75 1HD LYS 75 -11.215 8.875 3.554 627 1HE LYS 75 2HE LYS 75 -11.198 9.768 1.269 628 2HE LYS 75 1HE LYS 75 -12.318 8.499 0.774 629 1HZ LYS 75 1HZ LYS 75 -12.862 10.584 2.815 630 2HZ LYS 75 2HZ LYS 75 -13.943 9.368 2.345 631 3HZ LYS 75 3HZ LYS 75 -13.473 10.568 1.236 632 H LEU 76 H LEU 76 -9.701 3.382 4.148 633 HA LEU 76 HA LEU 76 -9.906 2.184 1.628 634 1HB LEU 76 2HB LEU 76 -9.501 0.962 4.359 635 2HB LEU 76 1HB LEU 76 -9.319 0.086 2.859 636 HG LEU 76 HG LEU 76 -7.651 2.441 3.725 637 1HD1 LEU 76 1HD1 LEU 76 -6.960 -0.483 3.506 638 2HD1 LEU 76 2HD1 LEU 76 -7.179 0.420 5.006 639 3HD1 LEU 76 3HD1 LEU 76 -5.845 0.818 3.921 640 1HD2 LEU 76 1HD2 LEU 76 -7.914 2.386 1.310 641 2HD2 LEU 76 2HD2 LEU 76 -7.448 0.687 1.282 642 3HD2 LEU 76 3HD2 LEU 76 -6.276 1.911 1.765 643 H GLU 77 H GLU 77 -11.869 1.879 4.543 644 HA GLU 77 HA GLU 77 -13.677 -0.065 3.550 645 1HB GLU 77 2HB GLU 77 -13.355 0.471 5.955 646 2HB GLU 77 1HB GLU 77 -14.147 2.016 5.689 647 1HG GLU 77 2HG GLU 77 -16.166 0.781 4.937 648 2HG GLU 77 1HG GLU 77 -15.361 -0.717 5.405 649 H GLU 78 H GLU 78 -13.840 3.465 3.791 650 HA GLU 78 HA GLU 78 -16.364 3.913 2.738 651 1HB GLU 78 2HB GLU 78 -13.833 5.532 2.535 652 2HB GLU 78 1HB GLU 78 -15.357 6.097 1.867 653 1HG GLU 78 2HG GLU 78 -16.371 6.046 4.065 654 2HG GLU 78 1HG GLU 78 -14.882 5.402 4.756 655 H SER 79 H SER 79 -13.308 3.506 0.999 656 HA SER 79 HA SER 79 -14.549 3.889 -1.564 657 1HB SER 79 2HB SER 79 -11.779 2.840 -0.966 658 2HB SER 79 1HB SER 79 -12.336 3.630 -2.436 659 HG SER 79 HG SER 79 -11.829 4.748 0.098 660 H ASN 80 H ASN 80 -14.453 1.344 0.564 661 HA ASN 80 HA ASN 80 -14.749 -0.906 0.475 662 1HB ASN 80 2HB ASN 80 -16.649 -0.091 -1.066 663 2HB ASN 80 1HB ASN 80 -15.617 -0.583 -2.402 664 1HD2 ASN 80 1HD2 ASN 80 -15.302 -2.768 -2.803 665 2HD2 ASN 80 2HD2 ASN 80 -16.254 -4.003 -2.046 666 H LEU 81 H LEU 81 -12.236 0.343 -0.326 667 HA LEU 81 HA LEU 81 -11.157 -1.116 -2.540 668 1HB LEU 81 2HB LEU 81 -10.374 1.142 -1.868 669 2HB LEU 81 1HB LEU 81 -9.717 0.450 -0.397 670 HG LEU 81 HG LEU 81 -8.186 -0.939 -1.761 671 1HD1 LEU 81 1HD1 LEU 81 -9.265 0.668 -4.075 672 2HD1 LEU 81 2HD1 LEU 81 -9.536 -1.053 -3.798 673 3HD1 LEU 81 3HD1 LEU 81 -7.908 -0.458 -4.133 674 1HD2 LEU 81 1HD2 LEU 81 -6.711 0.892 -2.444 675 2HD2 LEU 81 2HD2 LEU 81 -7.430 1.185 -0.861 676 3HD2 LEU 81 3HD2 LEU 81 -8.053 2.025 -2.281 677 H THR 82 H THR 82 -11.588 -1.680 0.779 678 HA THR 82 HA THR 82 -9.567 -3.397 1.518 679 HB THR 82 HB THR 82 -12.485 -3.820 2.182 680 HG1 THR 82 HG1 THR 82 -11.192 -2.339 4.012 681 1HG2 THR 82 1HG2 THR 82 -11.597 -4.585 4.347 682 2HG2 THR 82 2HG2 THR 82 -9.955 -4.355 3.745 683 3HG2 THR 82 3HG2 THR 82 -11.004 -5.568 3.009 684 H GLU 83 H GLU 83 -12.354 -4.015 -0.529 685 HA GLU 83 HA GLU 83 -12.285 -6.818 -0.587 686 1HB GLU 83 2HB GLU 83 -14.079 -5.190 -1.443 687 2HB GLU 83 1HB GLU 83 -13.105 -5.068 -2.899 688 1HG GLU 83 2HG GLU 83 -14.825 -6.654 -3.289 689 2HG GLU 83 1HG GLU 83 -13.298 -7.525 -3.166 690 H TYR 84 H TYR 84 -10.878 -4.430 -2.814 691 HA TYR 84 HA TYR 84 -9.503 -6.423 -4.350 692 1HB TYR 84 2HB TYR 84 -10.221 -4.522 -5.566 693 2HB TYR 84 1HB TYR 84 -9.524 -3.409 -4.394 694 HD1 TYR 84 HD1 TYR 84 -8.561 -6.003 -6.905 695 HD2 TYR 84 HD2 TYR 84 -7.418 -2.509 -4.759 696 HE1 TYR 84 HE1 TYR 84 -6.502 -5.858 -8.243 697 HE2 TYR 84 HE2 TYR 84 -5.361 -2.360 -6.088 698 HH TYR 84 HH TYR 84 -4.841 -4.188 -8.909 699 H MET 85 H MET 85 -8.675 -4.299 -1.698 700 HA MET 85 HA MET 85 -5.858 -4.426 -2.118 701 1HB MET 85 2HB MET 85 -7.261 -2.667 -0.827 702 2HB MET 85 1HB MET 85 -7.113 -3.778 0.528 703 1HG MET 85 2HG MET 85 -4.720 -3.617 0.468 704 2HG MET 85 1HG MET 85 -4.785 -2.636 -0.992 705 1HE MET 85 1HE MET 85 -3.409 -0.627 -0.151 706 2HE MET 85 2HE MET 85 -3.036 -1.580 1.285 707 3HE MET 85 3HE MET 85 -3.583 0.089 1.452 708 H LYS 86 H LYS 86 -8.136 -6.478 -0.529 709 HA LYS 86 HA LYS 86 -6.119 -7.885 1.015 710 1HB LYS 86 2HB LYS 86 -8.459 -7.579 1.833 711 2HB LYS 86 1HB LYS 86 -9.016 -8.609 0.524 712 1HG LYS 86 2HG LYS 86 -7.707 -10.468 1.441 713 2HG LYS 86 1HG LYS 86 -7.181 -9.432 2.767 714 1HD LYS 86 2HD LYS 86 -10.061 -10.083 2.161 715 2HD LYS 86 1HD LYS 86 -9.075 -10.947 3.342 716 1HE LYS 86 2HE LYS 86 -8.767 -8.912 4.620 717 2HE LYS 86 1HE LYS 86 -9.655 -7.988 3.410 718 1HZ LYS 86 1HZ LYS 86 -10.990 -8.579 5.377 719 2HZ LYS 86 2HZ LYS 86 -10.814 -10.222 4.987 720 3HZ LYS 86 3HZ LYS 86 -11.643 -9.181 3.933 721 H GLU 87 H GLU 87 -6.868 -7.791 -2.169 722 HA GLU 87 HA GLU 87 -6.919 -10.511 -2.928 723 1HB GLU 87 2HB GLU 87 -7.569 -8.734 -4.446 724 2HB GLU 87 1HB GLU 87 -5.942 -8.081 -4.416 725 1HG GLU 87 2HG GLU 87 -5.193 -10.296 -5.395 726 2HG GLU 87 1HG GLU 87 -6.904 -10.615 -5.689 727 H LYS 88 H LYS 88 -5.430 -11.929 -2.550 728 HA LYS 88 HA LYS 88 -2.678 -11.040 -2.057 729 1HB LYS 88 2HB LYS 88 -2.528 -13.183 -0.714 730 2HB LYS 88 1HB LYS 88 -3.612 -11.953 -0.076 731 1HG LYS 88 2HG LYS 88 -5.514 -13.155 -1.108 732 2HG LYS 88 1HG LYS 88 -4.396 -14.423 -1.607 733 1HD LYS 88 2HD LYS 88 -3.848 -14.888 0.714 734 2HD LYS 88 1HD LYS 88 -4.883 -13.560 1.244 735 1HE LYS 88 2HE LYS 88 -6.827 -14.702 0.291 736 2HE LYS 88 1HE LYS 88 -5.795 -16.032 -0.228 737 1HZ LYS 88 1HZ LYS 88 -6.956 -16.533 1.836 738 2HZ LYS 88 2HZ LYS 88 -6.237 -15.193 2.592 739 3HZ LYS 88 3HZ LYS 88 -5.277 -16.496 2.083 740 H ILE 89 H ILE 89 -1.145 -11.627 -3.415 741 HA ILE 89 HA ILE 89 -1.460 -14.132 -4.929 742 HB ILE 89 HB ILE 89 -0.254 -11.585 -6.016 743 1HG1 ILE 89 2HG1 ILE 89 -2.111 -12.045 -7.807 744 2HG1 ILE 89 1HG1 ILE 89 -2.864 -12.975 -6.522 745 1HG2 ILE 89 1HG2 ILE 89 0.015 -12.827 -8.111 746 2HG2 ILE 89 2HG2 ILE 89 -0.536 -14.291 -7.294 747 3HG2 ILE 89 3HG2 ILE 89 0.968 -13.515 -6.795 748 1HD1 ILE 89 1HD1 ILE 89 -2.894 -10.975 -5.112 749 2HD1 ILE 89 2HD1 ILE 89 -3.789 -10.751 -6.614 750 3HD1 ILE 89 3HD1 ILE 89 -2.179 -10.051 -6.431 751 H LYS 90 H LYS 90 0.223 -15.425 -4.932 752 HA LYS 90 HA LYS 90 2.112 -16.433 -4.244 753 1HB LYS 90 2HB LYS 90 3.218 -13.703 -4.853 754 2HB LYS 90 1HB LYS 90 4.240 -15.049 -4.369 755 1HG LYS 90 2HG LYS 90 2.877 -16.219 -6.359 756 2HG LYS 90 1HG LYS 90 2.841 -14.546 -6.914 757 1HD LYS 90 2HD LYS 90 4.781 -15.744 -7.811 758 2HD LYS 90 1HD LYS 90 5.278 -14.428 -6.744 759 1HE LYS 90 2HE LYS 90 5.719 -15.956 -4.955 760 2HE LYS 90 1HE LYS 90 5.019 -17.297 -5.858 761 1HZ LYS 90 1HZ LYS 90 7.479 -15.816 -6.633 762 2HZ LYS 90 2HZ LYS 90 6.805 -17.140 -7.453 763 3HZ LYS 90 3HZ LYS 90 7.439 -17.344 -5.899 764 H ILE 91 H ILE 91 0.437 -15.424 -2.246 765 HA ILE 91 HA ILE 91 2.380 -14.993 -0.084 766 HB ILE 91 HB ILE 91 -0.613 -14.512 -0.045 767 1HG1 ILE 91 2HG1 ILE 91 1.719 -12.582 0.009 768 2HG1 ILE 91 1HG1 ILE 91 0.624 -12.835 -1.349 769 1HG2 ILE 91 1HG2 ILE 91 0.214 -15.267 2.122 770 2HG2 ILE 91 2HG2 ILE 91 -0.226 -13.561 2.184 771 3HG2 ILE 91 3HG2 ILE 91 1.471 -14.032 2.087 772 1HD1 ILE 91 1HD1 ILE 91 -1.223 -11.972 -0.002 773 2HD1 ILE 91 2HD1 ILE 91 0.088 -10.802 -0.139 774 3HD1 ILE 91 3HD1 ILE 91 -0.120 -11.722 1.349 775 H ARG 92 H ARG 92 3.025 -16.976 0.478 776 HA ARG 92 HA ARG 92 0.990 -18.961 1.187 777 1HB ARG 92 2HB ARG 92 1.741 -19.445 -1.115 778 2HB ARG 92 1HB ARG 92 3.405 -19.515 -0.553 779 1HG ARG 92 2HG ARG 92 2.713 -21.401 0.946 780 2HG ARG 92 1HG ARG 92 1.155 -21.390 0.118 781 1HD ARG 92 2HD ARG 92 2.337 -21.750 -2.022 782 2HD ARG 92 1HD ARG 92 3.857 -21.861 -1.134 783 HE ARG 92 HE ARG 92 1.831 -23.694 -0.225 784 1HH1 ARG 92 1HH1 ARG 92 4.525 -23.204 -2.413 785 2HH1 ARG 92 2HH1 ARG 92 4.738 -24.899 -2.727 786 1HH2 ARG 92 1HH2 ARG 92 2.127 -25.923 -0.629 787 2HH2 ARG 92 2HH2 ARG 92 3.394 -26.436 -1.702 788 H MET 93 H MET 93 1.596 -20.371 2.813 789 HA MET 93 HA MET 93 3.993 -19.613 4.307 790 1HB MET 93 2HB MET 93 1.644 -21.364 5.079 791 2HB MET 93 1HB MET 93 3.007 -21.002 6.130 792 1HG MET 93 2HG MET 93 1.290 -19.574 6.818 793 2HG MET 93 1HG MET 93 2.381 -18.566 5.874 794 1HE MET 93 1HE MET 93 -0.548 -17.677 6.647 795 2HE MET 93 2HE MET 93 -1.139 -17.000 5.123 796 3HE MET 93 3HE MET 93 0.516 -16.685 5.655 797 HA PRO 94 HA PRO 94 6.054 -23.400 3.138 798 1HB PRO 94 2HB PRO 94 7.710 -23.145 5.518 799 2HB PRO 94 1HB PRO 94 8.161 -22.905 3.828 800 1HG PRO 94 2HG PRO 94 8.028 -20.876 5.634 801 2HG PRO 94 1HG PRO 94 7.732 -20.654 3.899 802 1HD PRO 94 2HD PRO 94 5.760 -20.919 6.140 803 2HD PRO 94 1HD PRO 94 5.736 -19.824 4.740 804 H THR 95 H THR 95 7.274 -25.083 5.083 805 HA THR 95 HA THR 95 5.192 -26.741 5.868 806 HB THR 95 HB THR 95 7.424 -27.620 5.711 807 HG1 THR 95 HG1 THR 95 6.741 -28.982 7.153 808 1HG2 THR 95 1HG2 THR 95 8.696 -25.650 6.399 809 2HG2 THR 95 2HG2 THR 95 9.186 -27.070 7.321 810 3HG2 THR 95 3HG2 THR 95 8.140 -25.859 8.058 811 H LEU 96 H LEU 96 3.637 -26.397 7.279 812 HA LEU 96 HA LEU 96 4.162 -24.635 9.572 813 1HB LEU 96 2HB LEU 96 2.446 -23.844 7.970 814 2HB LEU 96 1HB LEU 96 1.525 -25.309 8.254 815 HG LEU 96 HG LEU 96 1.199 -24.649 10.602 816 1HD1 LEU 96 1HD1 LEU 96 2.710 -22.171 9.790 817 2HD1 LEU 96 2HD1 LEU 96 3.207 -23.375 10.982 818 3HD1 LEU 96 3HD1 LEU 96 1.802 -22.354 11.290 819 1HD2 LEU 96 1HD2 LEU 96 -0.478 -24.015 8.972 820 2HD2 LEU 96 2HD2 LEU 96 0.423 -22.551 8.582 821 3HD2 LEU 96 3HD2 LEU 96 -0.298 -22.742 10.180 Start of MODEL 7 1 1H MET 1 1H MET 1 -4.130 8.435 -11.621 2 2H MET 1 2H MET 1 -2.749 7.534 -11.237 3 3H MET 1 3H MET 1 -2.865 8.295 -12.743 4 HA MET 1 HA MET 1 -2.830 10.452 -11.705 5 1HB MET 1 2HB MET 1 -3.878 9.889 -9.590 6 2HB MET 1 1HB MET 1 -2.535 8.837 -9.162 7 1HG MET 1 2HG MET 1 -1.047 10.822 -9.177 8 2HG MET 1 1HG MET 1 -2.468 11.830 -9.452 9 1HE MET 1 1HE MET 1 -1.710 13.254 -7.301 10 2HE MET 1 2HE MET 1 -0.350 12.164 -7.029 11 3HE MET 1 3HE MET 1 -1.456 12.542 -5.710 12 HA PRO 2 HA PRO 2 1.516 9.588 -12.608 13 1HB PRO 2 2HB PRO 2 1.524 12.504 -13.034 14 2HB PRO 2 1HB PRO 2 1.994 11.210 -14.140 15 1HG PRO 2 2HG PRO 2 -0.253 12.628 -14.509 16 2HG PRO 2 1HG PRO 2 -0.160 10.902 -14.907 17 1HD PRO 2 2HD PRO 2 -1.383 12.234 -12.520 18 2HD PRO 2 1HD PRO 2 -1.980 10.857 -13.475 19 H ALA 3 H ALA 3 3.410 10.090 -11.504 20 HA ALA 3 HA ALA 3 4.772 10.733 -9.830 21 1HB ALA 3 1HB ALA 3 4.101 13.034 -10.374 22 2HB ALA 3 2HB ALA 3 4.411 12.815 -8.650 23 3HB ALA 3 3HB ALA 3 2.751 12.894 -9.245 24 H ILE 4 H ILE 4 4.776 11.061 -7.376 25 HA ILE 4 HA ILE 4 2.768 9.279 -6.204 26 HB ILE 4 HB ILE 4 4.548 8.716 -4.527 27 1HG1 ILE 4 2HG1 ILE 4 6.007 10.720 -5.298 28 2HG1 ILE 4 1HG1 ILE 4 6.799 9.219 -4.834 29 1HG2 ILE 4 1HG2 ILE 4 5.615 7.042 -5.962 30 2HG2 ILE 4 2HG2 ILE 4 5.021 7.900 -7.385 31 3HG2 ILE 4 3HG2 ILE 4 3.881 7.164 -6.257 32 1HD1 ILE 4 1HD1 ILE 4 6.244 10.124 -7.656 33 2HD1 ILE 4 2HD1 ILE 4 7.056 8.630 -7.189 34 3HD1 ILE 4 3HD1 ILE 4 7.801 10.188 -6.830 35 H GLU 5 H GLU 5 1.708 9.940 -4.460 36 HA GLU 5 HA GLU 5 2.762 11.962 -2.701 37 1HB GLU 5 2HB GLU 5 1.543 13.152 -4.642 38 2HB GLU 5 1HB GLU 5 0.064 12.488 -3.961 39 1HG GLU 5 2HG GLU 5 0.386 13.699 -1.921 40 2HG GLU 5 1HG GLU 5 1.985 14.232 -2.434 41 H VAL 6 H VAL 6 0.904 12.351 -0.932 42 HA VAL 6 HA VAL 6 0.488 9.904 0.319 43 HB VAL 6 HB VAL 6 0.521 11.998 1.558 44 1HG1 VAL 6 1HG1 VAL 6 -1.394 13.519 1.568 45 2HG1 VAL 6 2HG1 VAL 6 -2.152 12.570 0.289 46 3HG1 VAL 6 3HG1 VAL 6 -0.645 13.428 -0.028 47 1HG2 VAL 6 1HG2 VAL 6 -2.055 10.463 1.840 48 2HG2 VAL 6 2HG2 VAL 6 -1.421 11.578 3.045 49 3HG2 VAL 6 3HG2 VAL 6 -0.520 10.121 2.637 50 HN2 GLY 7 H GLY 7 -1.072 8.410 0.301 51 1HA GLY 7 2HA GLY 7 -3.261 7.581 -0.012 52 2HA GLY 7 1HA GLY 7 -3.634 8.984 -1.003 53 H ARG 8 H ARG 8 -0.729 8.060 -2.091 54 HA ARG 8 HA ARG 8 -1.872 6.870 -4.449 55 1HB ARG 8 2HB ARG 8 0.083 8.534 -4.329 56 2HB ARG 8 1HB ARG 8 1.067 7.157 -3.856 57 1HG ARG 8 2HG ARG 8 1.309 7.560 -6.211 58 2HG ARG 8 1HG ARG 8 0.456 6.032 -5.962 59 1HD ARG 8 2HD ARG 8 -1.674 7.139 -6.387 60 2HD ARG 8 1HD ARG 8 -0.846 8.681 -6.597 61 HE ARG 8 HE ARG 8 0.064 7.879 -8.633 62 1HH1 ARG 8 1HH1 ARG 8 -2.273 5.721 -7.166 63 2HH1 ARG 8 2HH1 ARG 8 -2.546 4.822 -8.621 64 1HH2 ARG 8 1HH2 ARG 8 -0.309 6.699 -10.557 65 2HH2 ARG 8 2HH2 ARG 8 -1.413 5.354 -10.537 66 H ILE 9 H ILE 9 -2.579 4.825 -4.106 67 HA ILE 9 HA ILE 9 -1.176 2.866 -2.605 68 HB ILE 9 HB ILE 9 -3.260 2.442 -4.757 69 1HG1 ILE 9 2HG1 ILE 9 -3.559 2.692 -1.753 70 2HG1 ILE 9 1HG1 ILE 9 -4.062 3.894 -2.937 71 1HG2 ILE 9 1HG2 ILE 9 -3.637 0.285 -3.647 72 2HG2 ILE 9 2HG2 ILE 9 -2.297 0.620 -2.552 73 3HG2 ILE 9 3HG2 ILE 9 -1.995 0.420 -4.278 74 1HD1 ILE 9 1HD1 ILE 9 -5.954 2.611 -2.133 75 2HD1 ILE 9 2HD1 ILE 9 -5.178 1.113 -2.653 76 3HD1 ILE 9 3HD1 ILE 9 -5.681 2.308 -3.849 77 H CYS 10 H CYS 10 0.451 1.582 -3.170 78 HA CYS 10 HA CYS 10 1.157 1.335 -6.012 79 1HB CYS 10 2HB CYS 10 3.144 1.834 -3.787 80 2HB CYS 10 1HB CYS 10 3.497 1.702 -5.506 81 HG CYS 10 HG CYS 10 1.733 4.235 -4.020 82 H VAL 11 H VAL 11 2.373 -0.584 -6.523 83 HA VAL 11 HA VAL 11 1.969 -2.702 -4.507 84 HB VAL 11 HB VAL 11 0.350 -2.846 -6.363 85 1HG1 VAL 11 1HG1 VAL 11 1.092 -3.441 -8.616 86 2HG1 VAL 11 2HG1 VAL 11 2.769 -3.235 -8.112 87 3HG1 VAL 11 3HG1 VAL 11 1.679 -1.849 -8.131 88 1HG2 VAL 11 1HG2 VAL 11 2.371 -5.084 -6.349 89 2HG2 VAL 11 2HG2 VAL 11 0.709 -5.202 -6.929 90 3HG2 VAL 11 3HG2 VAL 11 1.030 -4.888 -5.222 91 H LYS 12 H LYS 12 3.480 -4.387 -4.433 92 HA LYS 12 HA LYS 12 6.145 -3.733 -5.325 93 1HB LYS 12 2HB LYS 12 5.066 -6.204 -3.948 94 2HB LYS 12 1HB LYS 12 6.766 -5.897 -4.266 95 1HG LYS 12 2HG LYS 12 4.979 -4.212 -2.520 96 2HG LYS 12 1HG LYS 12 6.155 -5.398 -1.954 97 1HD LYS 12 2HD LYS 12 7.949 -4.092 -3.041 98 2HD LYS 12 1HD LYS 12 6.752 -2.886 -3.519 99 1HE LYS 12 2HE LYS 12 7.418 -3.681 -0.686 100 2HE LYS 12 1HE LYS 12 7.977 -2.220 -1.496 101 1HZ LYS 12 1HZ LYS 12 6.059 -1.799 -0.073 102 2HZ LYS 12 2HZ LYS 12 5.134 -2.901 -0.961 103 3HZ LYS 12 3HZ LYS 12 5.697 -1.485 -1.693 104 H VAL 13 H VAL 13 6.253 -3.797 -7.499 105 HA VAL 13 HA VAL 13 4.872 -5.618 -9.133 106 HB VAL 13 HB VAL 13 5.522 -3.517 -10.056 107 1HG1 VAL 13 1HG1 VAL 13 7.868 -2.893 -10.445 108 2HG1 VAL 13 2HG1 VAL 13 8.382 -4.336 -9.568 109 3HG1 VAL 13 3HG1 VAL 13 7.496 -3.063 -8.729 110 1HG2 VAL 13 1HG2 VAL 13 7.105 -5.727 -11.360 111 2HG2 VAL 13 2HG2 VAL 13 6.676 -4.192 -12.117 112 3HG2 VAL 13 3HG2 VAL 13 5.412 -5.333 -11.656 113 H LYS 14 H LYS 14 8.273 -5.608 -8.063 114 HA LYS 14 HA LYS 14 8.399 -8.437 -8.860 115 1HB LYS 14 2HB LYS 14 9.698 -6.991 -10.423 116 2HB LYS 14 1HB LYS 14 10.673 -6.441 -9.068 117 1HG LYS 14 2HG LYS 14 10.484 -9.365 -9.627 118 2HG LYS 14 1HG LYS 14 11.510 -8.358 -10.648 119 1HD LYS 14 2HD LYS 14 11.702 -8.387 -7.640 120 2HD LYS 14 1HD LYS 14 12.643 -9.464 -8.675 121 1HE LYS 14 2HE LYS 14 12.671 -6.460 -8.910 122 2HE LYS 14 1HE LYS 14 13.833 -7.378 -7.953 123 1HZ LYS 14 1HZ LYS 14 14.636 -6.823 -10.208 124 2HZ LYS 14 2HZ LYS 14 13.392 -7.764 -10.869 125 3HZ LYS 14 3HZ LYS 14 14.588 -8.497 -9.917 126 HN2 GLY 15 H GLY 15 9.135 -9.812 -7.354 127 1HA GLY 15 2HA GLY 15 10.889 -9.876 -5.466 128 2HA GLY 15 1HA GLY 15 9.870 -8.628 -4.761 129 H ARG 16 H ARG 16 7.359 -9.574 -5.377 130 HA ARG 16 HA ARG 16 7.246 -12.245 -4.177 131 1HB ARG 16 2HB ARG 16 7.031 -10.467 -2.409 132 2HB ARG 16 1HB ARG 16 5.565 -9.926 -3.207 133 1HG ARG 16 2HG ARG 16 5.164 -11.367 -1.233 134 2HG ARG 16 1HG ARG 16 4.457 -11.990 -2.722 135 1HD ARG 16 2HD ARG 16 7.170 -12.893 -1.834 136 2HD ARG 16 1HD ARG 16 5.719 -13.610 -1.137 137 HE ARG 16 HE ARG 16 5.217 -13.868 -3.743 138 1HH1 ARG 16 1HH1 ARG 16 8.140 -14.533 -1.937 139 2HH1 ARG 16 2HH1 ARG 16 8.632 -15.849 -2.959 140 1HH2 ARG 16 1HH2 ARG 16 5.841 -15.605 -5.092 141 2HH2 ARG 16 2HH2 ARG 16 7.331 -16.453 -4.768 142 H GLU 17 H GLU 17 6.694 -10.790 -6.821 143 HA GLU 17 HA GLU 17 5.295 -11.020 -8.591 144 1HB GLU 17 2HB GLU 17 5.599 -13.424 -7.926 145 2HB GLU 17 1HB GLU 17 4.100 -13.311 -7.021 146 1HG GLU 17 2HG GLU 17 3.769 -14.370 -9.182 147 2HG GLU 17 1HG GLU 17 2.876 -12.857 -9.064 148 H ALA 18 H ALA 18 4.522 -8.964 -7.182 149 HA ALA 18 HA ALA 18 2.837 -7.509 -6.856 150 1HB ALA 18 1HB ALA 18 2.054 -8.301 -9.038 151 2HB ALA 18 2HB ALA 18 0.713 -7.882 -7.973 152 3HB ALA 18 3HB ALA 18 1.132 -9.575 -8.239 153 HN2 GLY 19 H GLY 19 0.183 -7.861 -6.249 154 1HA GLY 19 2HA GLY 19 -1.338 -8.620 -4.667 155 2HA GLY 19 1HA GLY 19 -0.147 -9.792 -4.122 156 H SER 20 H SER 20 1.962 -7.961 -3.601 157 HA SER 20 HA SER 20 1.115 -6.993 -1.025 158 1HB SER 20 2HB SER 20 3.798 -6.692 -2.395 159 2HB SER 20 1HB SER 20 3.462 -6.463 -0.678 160 HG SER 20 HG SER 20 2.841 -8.907 -1.923 161 H LYS 21 H LYS 21 -0.235 -5.296 -1.250 162 HA LYS 21 HA LYS 21 0.636 -3.003 -2.863 163 1HB LYS 21 2HB LYS 21 -2.105 -3.738 -1.805 164 2HB LYS 21 1HB LYS 21 -1.740 -2.298 -2.746 165 1HG LYS 21 2HG LYS 21 -1.268 -3.545 -4.683 166 2HG LYS 21 1HG LYS 21 -1.164 -5.056 -3.781 167 1HD LYS 21 2HD LYS 21 -3.680 -3.430 -4.155 168 2HD LYS 21 1HD LYS 21 -3.249 -4.862 -5.094 169 1HE LYS 21 2HE LYS 21 -3.114 -6.102 -2.892 170 2HE LYS 21 1HE LYS 21 -3.856 -4.685 -2.149 171 1HZ LYS 21 1HZ LYS 21 -5.571 -6.219 -2.631 172 2HZ LYS 21 2HZ LYS 21 -5.029 -6.468 -4.211 173 3HZ LYS 21 3HZ LYS 21 -5.717 -4.983 -3.778 174 H CYS 22 H CYS 22 0.927 -1.022 -1.948 175 HA CYS 22 HA CYS 22 0.460 -0.761 0.943 176 1HB CYS 22 2HB CYS 22 3.012 0.103 -0.431 177 2HB CYS 22 1HB CYS 22 2.665 0.148 1.296 178 HG CYS 22 HG CYS 22 2.266 -2.853 1.011 179 H VAL 23 H VAL 23 0.226 1.415 1.670 180 HA VAL 23 HA VAL 23 -0.454 3.282 -0.507 181 HB VAL 23 HB VAL 23 -1.484 3.284 2.340 182 1HG1 VAL 23 1HG1 VAL 23 -1.456 5.504 1.327 183 2HG1 VAL 23 2HG1 VAL 23 -3.109 4.917 1.515 184 3HG1 VAL 23 3HG1 VAL 23 -2.339 4.883 -0.070 185 1HG2 VAL 23 1HG2 VAL 23 -3.594 2.483 1.410 186 2HG2 VAL 23 2HG2 VAL 23 -2.290 1.336 1.094 187 3HG2 VAL 23 3HG2 VAL 23 -2.863 2.398 -0.192 188 H ILE 24 H ILE 24 0.677 5.101 -0.690 189 HA ILE 24 HA ILE 24 2.803 5.780 1.080 190 HB ILE 24 HB ILE 24 1.476 7.428 -1.084 191 1HG1 ILE 24 2HG1 ILE 24 4.013 5.771 -1.118 192 2HG1 ILE 24 1HG1 ILE 24 2.508 5.380 -1.942 193 1HG2 ILE 24 1HG2 ILE 24 2.619 8.852 0.526 194 2HG2 ILE 24 2HG2 ILE 24 3.473 8.834 -1.018 195 3HG2 ILE 24 3HG2 ILE 24 4.090 7.896 0.343 196 1HD1 ILE 24 1HD1 ILE 24 4.264 7.751 -2.518 197 2HD1 ILE 24 2HD1 ILE 24 2.763 7.348 -3.350 198 3HD1 ILE 24 3HD1 ILE 24 4.156 6.276 -3.479 199 H VAL 25 H VAL 25 2.494 6.596 3.065 200 HA VAL 25 HA VAL 25 0.103 8.252 3.504 201 HB VAL 25 HB VAL 25 0.324 7.689 5.919 202 1HG1 VAL 25 1HG1 VAL 25 -1.211 6.473 4.462 203 2HG1 VAL 25 2HG1 VAL 25 -0.544 5.418 5.710 204 3HG1 VAL 25 3HG1 VAL 25 0.068 5.330 4.058 205 1HG2 VAL 25 1HG2 VAL 25 2.410 5.731 4.949 206 2HG2 VAL 25 2HG2 VAL 25 1.745 5.810 6.582 207 3HG2 VAL 25 3HG2 VAL 25 2.711 7.147 5.956 208 H ASP 26 H ASP 26 3.594 8.170 3.854 209 HA ASP 26 HA ASP 26 3.476 11.009 4.572 210 1HB ASP 26 2HB ASP 26 3.821 9.672 6.661 211 2HB ASP 26 1HB ASP 26 5.313 9.052 5.965 212 H ILE 27 H ILE 27 4.576 12.096 3.117 213 HA ILE 27 HA ILE 27 6.564 10.774 1.474 214 HB ILE 27 HB ILE 27 5.688 13.668 1.391 215 1HG1 ILE 27 2HG1 ILE 27 4.699 11.340 -0.274 216 2HG1 ILE 27 1HG1 ILE 27 3.791 12.109 1.020 217 1HG2 ILE 27 1HG2 ILE 27 7.120 11.963 -0.649 218 2HG2 ILE 27 2HG2 ILE 27 7.838 13.246 0.322 219 3HG2 ILE 27 3HG2 ILE 27 6.609 13.636 -0.878 220 1HD1 ILE 27 1HD1 ILE 27 3.055 12.885 -1.155 221 2HD1 ILE 27 2HD1 ILE 27 4.689 13.437 -1.525 222 3HD1 ILE 27 3HD1 ILE 27 3.771 14.199 -0.225 223 H ILE 28 H ILE 28 8.357 10.427 2.728 224 HA ILE 28 HA ILE 28 9.432 12.432 4.461 225 HB ILE 28 HB ILE 28 10.804 9.951 3.404 226 1HG1 ILE 28 2HG1 ILE 28 9.184 10.318 5.935 227 2HG1 ILE 28 1HG1 ILE 28 8.648 9.434 4.511 228 1HG2 ILE 28 1HG2 ILE 28 12.320 11.579 4.411 229 2HG2 ILE 28 2HG2 ILE 28 12.170 10.143 5.427 230 3HG2 ILE 28 3HG2 ILE 28 11.316 11.624 5.861 231 1HD1 ILE 28 1HD1 ILE 28 10.947 8.717 6.308 232 2HD1 ILE 28 2HD1 ILE 28 10.524 7.865 4.825 233 3HD1 ILE 28 3HD1 ILE 28 9.395 7.888 6.179 234 H ASP 29 H ASP 29 10.772 10.873 1.571 235 HA ASP 29 HA ASP 29 11.929 13.457 0.761 236 1HB ASP 29 2HB ASP 29 13.149 10.703 0.755 237 2HB ASP 29 1HB ASP 29 13.718 11.946 -0.355 238 H ASP 30 H ASP 30 12.845 12.687 -1.742 239 HA ASP 30 HA ASP 30 10.344 12.598 -3.164 240 1HB ASP 30 2HB ASP 30 13.205 12.826 -4.087 241 2HB ASP 30 1HB ASP 30 11.842 12.770 -5.197 242 H ASN 31 H ASN 31 13.008 10.390 -2.570 243 HA ASN 31 HA ASN 31 11.493 8.341 -4.064 244 1HB ASN 31 2HB ASN 31 13.800 8.900 -4.950 245 2HB ASN 31 1HB ASN 31 14.449 8.225 -3.459 246 1HD2 ASN 31 1HD2 ASN 31 12.656 7.519 -6.379 247 2HD2 ASN 31 2HD2 ASN 31 12.956 5.812 -6.375 248 H PHE 32 H PHE 32 12.988 9.221 -1.076 249 HA PHE 32 HA PHE 32 12.518 6.610 0.118 250 1HB PHE 32 2HB PHE 32 14.493 8.202 0.644 251 2HB PHE 32 1HB PHE 32 13.311 9.113 1.574 252 HD1 PHE 32 HD2 PHE 32 15.121 5.923 1.338 253 HD2 PHE 32 HD1 PHE 32 12.524 8.347 3.685 254 HE1 PHE 32 HE2 PHE 32 15.519 4.465 3.282 255 HE2 PHE 32 HE1 PHE 32 12.914 6.891 5.628 256 HZ PHE 32 HZ PHE 32 14.414 4.949 5.427 257 H VAL 33 H VAL 33 10.611 6.111 1.046 258 HA VAL 33 HA VAL 33 8.875 8.291 1.932 259 HB VAL 33 HB VAL 33 8.332 7.799 -0.430 260 1HG1 VAL 33 1HG1 VAL 33 7.501 5.101 0.607 261 2HG1 VAL 33 2HG1 VAL 33 8.856 5.433 -0.474 262 3HG1 VAL 33 3HG1 VAL 33 7.203 5.715 -1.021 263 1HG2 VAL 33 1HG2 VAL 33 6.148 7.111 1.517 264 2HG2 VAL 33 2HG2 VAL 33 5.909 7.613 -0.156 265 3HG2 VAL 33 3HG2 VAL 33 6.622 8.731 1.007 266 H LEU 34 H LEU 34 6.994 7.541 3.130 267 HA LEU 34 HA LEU 34 7.570 5.044 4.583 268 1HB LEU 34 2HB LEU 34 7.667 7.080 5.972 269 2HB LEU 34 1HB LEU 34 6.024 7.471 5.501 270 HG LEU 34 HG LEU 34 5.237 5.402 6.619 271 1HD1 LEU 34 1HD1 LEU 34 6.757 4.205 8.110 272 2HD1 LEU 34 2HD1 LEU 34 8.101 5.193 7.538 273 3HD1 LEU 34 3HD1 LEU 34 7.283 4.092 6.429 274 1HD2 LEU 34 1HD2 LEU 34 5.251 7.576 7.778 275 2HD2 LEU 34 2HD2 LEU 34 6.865 7.215 8.398 276 3HD2 LEU 34 3HD2 LEU 34 5.489 6.223 8.884 277 H VAL 35 H VAL 35 6.253 3.435 4.080 278 HA VAL 35 HA VAL 35 3.521 4.091 3.205 279 HB VAL 35 HB VAL 35 3.588 2.068 1.760 280 1HG1 VAL 35 1HG1 VAL 35 5.694 4.143 1.165 281 2HG1 VAL 35 2HG1 VAL 35 3.976 4.253 0.782 282 3HG1 VAL 35 3HG1 VAL 35 4.981 3.042 -0.014 283 1HG2 VAL 35 1HG2 VAL 35 5.744 1.047 1.208 284 2HG2 VAL 35 2HG2 VAL 35 5.362 0.849 2.920 285 3HG2 VAL 35 3HG2 VAL 35 6.536 2.063 2.414 286 H THR 36 H THR 36 1.885 2.667 3.780 287 HA THR 36 HA THR 36 2.522 0.356 5.409 288 HB THR 36 HB THR 36 2.286 2.224 7.051 289 HG1 THR 36 HG1 THR 36 -0.000 0.807 7.634 290 1HG2 THR 36 1HG2 THR 36 0.698 3.620 5.846 291 2HG2 THR 36 2HG2 THR 36 0.056 3.194 7.433 292 3HG2 THR 36 3HG2 THR 36 -0.540 2.371 5.991 293 HN2 GLY 37 H GLY 37 0.478 -0.902 5.848 294 1HA GLY 37 2HA GLY 37 -1.630 -0.336 3.882 295 2HA GLY 37 1HA GLY 37 -0.855 -1.920 3.882 296 HA PRO 38 HA PRO 38 -4.175 -0.548 7.530 297 1HB PRO 38 2HB PRO 38 -5.867 -1.834 5.412 298 2HB PRO 38 1HB PRO 38 -6.337 -0.688 6.675 299 1HG PRO 38 2HG PRO 38 -5.846 0.120 4.162 300 2HG PRO 38 1HG PRO 38 -5.434 1.119 5.567 301 1HD PRO 38 2HD PRO 38 -3.657 -0.267 3.693 302 2HD PRO 38 1HD PRO 38 -3.281 1.015 4.859 303 H LYS 39 H LYS 39 -3.689 -1.992 9.014 304 HA LYS 39 HA LYS 39 -2.987 -4.679 8.271 305 1HB LYS 39 2HB LYS 39 -3.020 -3.320 10.969 306 2HB LYS 39 1HB LYS 39 -2.288 -4.884 10.622 307 1HG LYS 39 2HG LYS 39 -0.724 -3.862 9.094 308 2HG LYS 39 1HG LYS 39 -1.501 -2.294 9.307 309 1HD LYS 39 2HD LYS 39 -0.862 -2.317 11.678 310 2HD LYS 39 1HD LYS 39 -0.055 -3.870 11.432 311 1HE LYS 39 2HE LYS 39 1.560 -2.060 11.362 312 2HE LYS 39 1HE LYS 39 1.428 -2.824 9.778 313 1HZ LYS 39 1HZ LYS 39 1.363 -0.602 9.246 314 2HZ LYS 39 2HZ LYS 39 0.517 -0.166 10.645 315 3HZ LYS 39 3HZ LYS 39 -0.297 -0.931 9.370 316 H ASP 40 H ASP 40 -5.880 -3.314 8.922 317 HA ASP 40 HA ASP 40 -7.026 -5.791 9.983 318 1HB ASP 40 2HB ASP 40 -7.880 -3.822 11.055 319 2HB ASP 40 1HB ASP 40 -8.183 -3.043 9.508 320 H ILE 41 H ILE 41 -6.340 -4.208 7.100 321 HA ILE 41 HA ILE 41 -8.494 -5.537 5.620 322 HB ILE 41 HB ILE 41 -6.661 -3.278 4.806 323 1HG1 ILE 41 2HG1 ILE 41 -9.643 -3.358 5.315 324 2HG1 ILE 41 1HG1 ILE 41 -8.442 -2.643 6.383 325 1HG2 ILE 41 1HG2 ILE 41 -8.836 -4.641 3.232 326 2HG2 ILE 41 2HG2 ILE 41 -7.108 -4.652 2.875 327 3HG2 ILE 41 3HG2 ILE 41 -8.025 -3.149 2.756 328 1HD1 ILE 41 1HD1 ILE 41 -9.072 -1.719 3.590 329 2HD1 ILE 41 2HD1 ILE 41 -7.899 -0.988 4.685 330 3HD1 ILE 41 3HD1 ILE 41 -9.616 -0.953 5.080 331 H THR 42 H THR 42 -5.036 -4.765 5.100 332 HA THR 42 HA THR 42 -4.817 -7.345 3.694 333 HB THR 42 HB THR 42 -4.558 -5.503 2.129 334 HG1 THR 42 HG1 THR 42 -3.241 -7.174 1.589 335 1HG2 THR 42 1HG2 THR 42 -3.850 -3.751 3.667 336 2HG2 THR 42 2HG2 THR 42 -2.709 -3.893 2.331 337 3HG2 THR 42 3HG2 THR 42 -2.306 -4.565 3.910 338 HN2 GLY 43 H GLY 43 -3.370 -5.154 6.022 339 1HA GLY 43 2HA GLY 43 -2.045 -5.742 7.831 340 2HA GLY 43 1HA GLY 43 -1.954 -7.378 7.196 341 H VAL 44 H VAL 44 -0.856 -4.099 6.316 342 HA VAL 44 HA VAL 44 1.748 -5.297 5.635 343 HB VAL 44 HB VAL 44 0.565 -2.691 4.650 344 1HG1 VAL 44 1HG1 VAL 44 3.198 -3.993 3.961 345 2HG1 VAL 44 2HG1 VAL 44 2.992 -2.532 4.928 346 3HG1 VAL 44 3HG1 VAL 44 2.543 -2.535 3.220 347 1HG2 VAL 44 1HG2 VAL 44 0.572 -3.790 2.446 348 2HG2 VAL 44 2HG2 VAL 44 -0.468 -4.627 3.600 349 3HG2 VAL 44 3HG2 VAL 44 1.121 -5.282 3.208 350 H LYS 45 H LYS 45 3.297 -4.928 7.027 351 HA LYS 45 HA LYS 45 2.938 -3.223 9.281 352 1HB LYS 45 2HB LYS 45 5.492 -4.557 8.365 353 2HB LYS 45 1HB LYS 45 5.099 -4.022 9.994 354 1HG LYS 45 2HG LYS 45 3.377 -5.711 10.167 355 2HG LYS 45 1HG LYS 45 3.676 -6.220 8.506 356 1HD LYS 45 2HD LYS 45 4.832 -7.784 9.794 357 2HD LYS 45 1HD LYS 45 6.083 -6.655 9.278 358 1HE LYS 45 2HE LYS 45 6.382 -7.190 11.613 359 2HE LYS 45 1HE LYS 45 5.899 -5.501 11.447 360 1HZ LYS 45 1HZ LYS 45 4.764 -6.911 13.231 361 2HZ LYS 45 2HZ LYS 45 3.886 -7.605 11.952 362 3HZ LYS 45 3HZ LYS 45 3.785 -5.940 12.252 363 H ARG 46 H ARG 46 4.282 -1.414 9.866 364 HA ARG 46 HA ARG 46 4.651 0.388 7.689 365 1HB ARG 46 2HB ARG 46 5.510 1.954 9.432 366 2HB ARG 46 1HB ARG 46 3.930 1.282 9.801 367 1HG ARG 46 2HG ARG 46 4.950 -0.300 11.346 368 2HG ARG 46 1HG ARG 46 6.546 0.341 10.958 369 1HD ARG 46 2HD ARG 46 5.964 2.484 11.882 370 2HD ARG 46 1HD ARG 46 4.296 1.968 12.127 371 HE ARG 46 HE ARG 46 5.835 0.170 13.527 372 1HH1 ARG 46 1HH1 ARG 46 5.383 3.635 13.558 373 2HH1 ARG 46 2HH1 ARG 46 5.641 3.787 15.263 374 1HH2 ARG 46 1HH2 ARG 46 6.201 0.352 15.780 375 2HH2 ARG 46 2HH2 ARG 46 6.110 1.924 16.534 376 H ARG 47 H ARG 47 6.362 0.686 6.465 377 HA ARG 47 HA ARG 47 9.025 0.113 7.476 378 1HB ARG 47 2HB ARG 47 8.187 -2.037 6.547 379 2HB ARG 47 1HB ARG 47 7.938 -1.245 4.999 380 1HG ARG 47 2HG ARG 47 10.325 -0.830 4.807 381 2HG ARG 47 1HG ARG 47 10.589 -1.579 6.384 382 1HD ARG 47 2HD ARG 47 9.485 -2.930 3.922 383 2HD ARG 47 1HD ARG 47 11.096 -3.149 4.600 384 HE ARG 47 HE ARG 47 9.283 -3.757 6.610 385 1HH1 ARG 47 1HH1 ARG 47 10.155 -5.006 3.450 386 2HH1 ARG 47 2HH1 ARG 47 9.706 -6.645 3.842 387 1HH2 ARG 47 1HH2 ARG 47 8.676 -5.878 7.117 388 2HH2 ARG 47 2HH2 ARG 47 8.835 -7.140 5.921 389 H ARG 48 H ARG 48 10.598 1.298 6.459 390 HA ARG 48 HA ARG 48 9.660 3.400 4.687 391 1HB ARG 48 2HB ARG 48 12.445 2.980 5.795 392 2HB ARG 48 1HB ARG 48 11.800 4.450 5.076 393 1HG ARG 48 2HG ARG 48 10.138 4.523 6.952 394 2HG ARG 48 1HG ARG 48 11.039 3.206 7.704 395 1HD ARG 48 2HD ARG 48 12.078 5.949 7.020 396 2HD ARG 48 1HD ARG 48 11.736 5.326 8.631 397 HE ARG 48 HE ARG 48 13.594 3.605 7.501 398 1HH1 ARG 48 1HH1 ARG 48 13.402 6.989 8.387 399 2HH1 ARG 48 2HH1 ARG 48 15.111 7.142 8.684 400 1HH2 ARG 48 1HH2 ARG 48 15.839 3.803 7.871 401 2HH2 ARG 48 2HH2 ARG 48 16.501 5.331 8.378 402 H VAL 49 H VAL 49 9.695 3.113 2.558 403 HA VAL 49 HA VAL 49 11.633 1.185 1.448 404 HB VAL 49 HB VAL 49 8.776 1.584 0.526 405 1HG1 VAL 49 1HG1 VAL 49 9.173 -0.359 -0.901 406 2HG1 VAL 49 2HG1 VAL 49 10.851 -0.418 -0.359 407 3HG1 VAL 49 3HG1 VAL 49 10.273 0.962 -1.291 408 1HG2 VAL 49 1HG2 VAL 49 8.842 0.458 2.676 409 2HG2 VAL 49 2HG2 VAL 49 10.004 -0.712 2.049 410 3HG2 VAL 49 3HG2 VAL 49 8.362 -0.664 1.403 411 H ASN 50 H ASN 50 12.598 1.709 -0.472 412 HA ASN 50 HA ASN 50 12.362 4.445 -1.381 413 1HB ASN 50 2HB ASN 50 14.139 2.136 -2.156 414 2HB ASN 50 1HB ASN 50 14.113 3.633 -3.083 415 1HD2 ASN 50 1HD2 ASN 50 16.240 2.373 -1.488 416 2HD2 ASN 50 2HD2 ASN 50 16.731 3.576 -0.350 417 H ILE 51 H ILE 51 11.372 5.132 -3.179 418 HA ILE 51 HA ILE 51 9.366 3.522 -4.376 419 HB ILE 51 HB ILE 51 10.441 6.180 -5.358 420 1HG1 ILE 51 2HG1 ILE 51 8.175 5.627 -3.428 421 2HG1 ILE 51 1HG1 ILE 51 9.771 6.199 -2.960 422 1HG2 ILE 51 1HG2 ILE 51 8.210 6.468 -6.332 423 2HG2 ILE 51 2HG2 ILE 51 7.753 4.860 -5.773 424 3HG2 ILE 51 3HG2 ILE 51 9.016 5.043 -6.988 425 1HD1 ILE 51 1HD1 ILE 51 7.813 7.663 -4.707 426 2HD1 ILE 51 2HD1 ILE 51 9.418 8.234 -4.251 427 3HD1 ILE 51 3HD1 ILE 51 8.176 8.014 -3.018 428 H LEU 52 H LEU 52 12.660 3.689 -4.931 429 HA LEU 52 HA LEU 52 12.859 3.337 -7.717 430 1HB LEU 52 2HB LEU 52 14.734 3.883 -6.180 431 2HB LEU 52 1HB LEU 52 14.670 2.242 -5.562 432 HG LEU 52 HG LEU 52 15.233 1.402 -7.832 433 1HD1 LEU 52 1HD1 LEU 52 15.599 4.328 -8.463 434 2HD1 LEU 52 2HD1 LEU 52 14.380 3.255 -9.154 435 3HD1 LEU 52 3HD1 LEU 52 16.089 2.983 -9.493 436 1HD2 LEU 52 1HD2 LEU 52 17.578 2.057 -7.765 437 2HD2 LEU 52 2HD2 LEU 52 16.970 1.744 -6.139 438 3HD2 LEU 52 3HD2 LEU 52 17.184 3.404 -6.697 439 H HIS 53 H HIS 53 11.547 1.289 -5.362 440 HA HIS 53 HA HIS 53 11.512 -0.933 -7.298 441 1HB HIS 53 2HB HIS 53 12.004 -1.067 -4.325 442 2HB HIS 53 1HB HIS 53 11.401 -2.453 -5.224 443 HD1 HIS 53 HD1 HIS 53 14.439 -1.162 -3.997 444 HD2 HIS 53 HD2 HIS 53 13.299 -2.958 -7.564 445 HE1 HIS 53 HE1 HIS 53 16.561 -2.037 -5.017 446 HE2 HIS 53 HE2 HIS 53 15.799 -3.364 -7.018 447 H LEU 54 H LEU 54 9.607 1.246 -6.752 448 HA LEU 54 HA LEU 54 7.307 -0.394 -5.958 449 1HB LEU 54 2HB LEU 54 8.145 0.969 -4.031 450 2HB LEU 54 1HB LEU 54 7.802 2.411 -4.964 451 HG LEU 54 HG LEU 54 5.409 1.783 -5.007 452 1HD1 LEU 54 1HD1 LEU 54 4.608 0.019 -3.525 453 2HD1 LEU 54 2HD1 LEU 54 6.272 -0.413 -3.129 454 3HD1 LEU 54 3HD1 LEU 54 5.671 -0.631 -4.772 455 1HD2 LEU 54 1HD2 LEU 54 6.254 3.322 -3.314 456 2HD2 LEU 54 2HD2 LEU 54 6.640 1.964 -2.257 457 3HD2 LEU 54 3HD2 LEU 54 4.961 2.315 -2.663 458 H GLU 55 H GLU 55 5.707 -0.243 -7.405 459 HA GLU 55 HA GLU 55 5.540 2.189 -9.045 460 1HB GLU 55 2HB GLU 55 4.986 -0.667 -9.868 461 2HB GLU 55 1HB GLU 55 4.636 0.739 -10.858 462 1HG GLU 55 2HG GLU 55 7.094 1.303 -10.708 463 2HG GLU 55 1HG GLU 55 7.319 -0.298 -10.005 464 HA PRO 56 HA PRO 56 1.577 2.544 -7.238 465 1HB PRO 56 2HB PRO 56 0.567 4.524 -8.732 466 2HB PRO 56 1HB PRO 56 1.921 4.786 -7.627 467 1HG PRO 56 2HG PRO 56 1.951 4.377 -10.592 468 2HG PRO 56 1HG PRO 56 2.860 5.546 -9.617 469 1HD PRO 56 2HD PRO 56 3.913 3.195 -10.531 470 2HD PRO 56 1HD PRO 56 4.466 4.011 -9.056 471 H THR 57 H THR 57 -0.644 2.205 -7.540 472 HA THR 57 HA THR 57 -1.378 0.558 -9.820 473 HB THR 57 HB THR 57 -3.316 1.395 -7.683 474 HG1 THR 57 HG1 THR 57 -1.036 -0.258 -7.366 475 1HG2 THR 57 1HG2 THR 57 -4.227 -0.109 -9.296 476 2HG2 THR 57 2HG2 THR 57 -3.884 -1.080 -7.866 477 3HG2 THR 57 3HG2 THR 57 -2.795 -1.131 -9.252 478 H ASP 58 H ASP 58 -3.953 1.171 -10.390 479 HA ASP 58 HA ASP 58 -3.771 3.242 -12.190 480 1HB ASP 58 2HB ASP 58 -6.281 2.156 -10.906 481 2HB ASP 58 1HB ASP 58 -6.230 3.127 -12.371 482 H LYS 59 H LYS 59 -5.980 3.454 -9.393 483 HA LYS 59 HA LYS 59 -5.711 6.366 -9.625 484 1HB LYS 59 2HB LYS 59 -7.932 6.524 -8.595 485 2HB LYS 59 1HB LYS 59 -7.951 5.593 -10.084 486 1HG LYS 59 2HG LYS 59 -8.012 3.518 -8.780 487 2HG LYS 59 1HG LYS 59 -8.006 4.465 -7.290 488 1HD LYS 59 2HD LYS 59 -10.108 5.514 -7.925 489 2HD LYS 59 1HD LYS 59 -10.111 4.626 -9.448 490 1HE LYS 59 2HE LYS 59 -10.192 2.510 -8.158 491 2HE LYS 59 1HE LYS 59 -10.305 3.458 -6.674 492 1HZ LYS 59 1HZ LYS 59 -12.481 2.709 -7.474 493 2HZ LYS 59 2HZ LYS 59 -12.248 3.572 -8.916 494 3HZ LYS 59 3HZ LYS 59 -12.369 4.399 -7.439 495 H LYS 60 H LYS 60 -6.225 7.588 -7.606 496 HA LYS 60 HA LYS 60 -4.687 6.436 -5.373 497 1HB LYS 60 2HB LYS 60 -3.429 8.215 -6.243 498 2HB LYS 60 1HB LYS 60 -4.851 9.196 -6.553 499 1HG LYS 60 2HG LYS 60 -4.403 8.604 -3.722 500 2HG LYS 60 1HG LYS 60 -3.115 9.536 -4.487 501 1HD LYS 60 2HD LYS 60 -4.893 11.090 -5.357 502 2HD LYS 60 1HD LYS 60 -6.050 10.221 -4.347 503 1HE LYS 60 2HE LYS 60 -4.841 10.827 -2.358 504 2HE LYS 60 1HE LYS 60 -3.560 11.568 -3.314 505 1HZ LYS 60 1HZ LYS 60 -5.365 13.093 -4.186 506 2HZ LYS 60 2HZ LYS 60 -4.876 13.329 -2.585 507 3HZ LYS 60 3HZ LYS 60 -6.333 12.530 -2.912 508 H ILE 61 H ILE 61 -5.520 6.561 -3.310 509 HA ILE 61 HA ILE 61 -8.326 7.293 -3.082 510 HB ILE 61 HB ILE 61 -8.171 6.437 -0.767 511 1HG1 ILE 61 2HG1 ILE 61 -5.315 5.740 -1.499 512 2HG1 ILE 61 1HG1 ILE 61 -5.791 7.013 -0.380 513 1HG2 ILE 61 1HG2 ILE 61 -7.115 4.591 -2.898 514 2HG2 ILE 61 2HG2 ILE 61 -8.807 4.936 -2.543 515 3HG2 ILE 61 3HG2 ILE 61 -7.814 4.076 -1.365 516 1HD1 ILE 61 1HD1 ILE 61 -5.065 4.998 0.782 517 2HD1 ILE 61 2HD1 ILE 61 -6.338 4.076 -0.021 518 3HD1 ILE 61 3HD1 ILE 61 -6.761 5.362 1.109 519 H ASP 62 H ASP 62 -9.117 8.925 -1.705 520 HA ASP 62 HA ASP 62 -7.165 11.078 -1.459 521 1HB ASP 62 2HB ASP 62 -9.360 11.383 -2.691 522 2HB ASP 62 1HB ASP 62 -10.149 11.328 -1.114 523 H ILE 63 H ILE 63 -6.098 10.601 0.402 524 HA ILE 63 HA ILE 63 -7.690 10.798 2.873 525 HB ILE 63 HB ILE 63 -5.787 9.713 4.043 526 1HG1 ILE 63 2HG1 ILE 63 -4.720 9.228 1.248 527 2HG1 ILE 63 1HG1 ILE 63 -4.023 10.343 2.423 528 1HG2 ILE 63 1HG2 ILE 63 -6.954 8.135 1.759 529 2HG2 ILE 63 2HG2 ILE 63 -7.682 8.377 3.347 530 3HG2 ILE 63 3HG2 ILE 63 -6.192 7.446 3.192 531 1HD1 ILE 63 1HD1 ILE 63 -3.510 8.485 3.901 532 2HD1 ILE 63 2HD1 ILE 63 -2.798 8.233 2.308 533 3HD1 ILE 63 3HD1 ILE 63 -4.260 7.360 2.768 534 H GLN 64 H GLN 64 -6.058 11.628 4.710 535 HA GLN 64 HA GLN 64 -5.086 14.195 3.715 536 1HB GLN 64 2HB GLN 64 -5.026 14.784 6.177 537 2HB GLN 64 1HB GLN 64 -6.619 14.464 5.508 538 1HG GLN 64 2HG GLN 64 -6.494 12.169 6.430 539 2HG GLN 64 1HG GLN 64 -4.957 12.594 7.181 540 1HE2 GLN 64 1HE2 GLN 64 -5.784 12.211 9.241 541 2HE2 GLN 64 2HE2 GLN 64 -6.885 13.299 10.002 542 H LYS 65 H LYS 65 -3.001 14.881 3.962 543 HA LYS 65 HA LYS 65 -0.958 12.958 4.021 544 1HB LYS 65 2HB LYS 65 -0.780 15.137 2.870 545 2HB LYS 65 1HB LYS 65 -0.736 15.949 4.425 546 1HG LYS 65 2HG LYS 65 1.298 13.853 3.908 547 2HG LYS 65 1HG LYS 65 1.458 15.385 3.052 548 1HD LYS 65 2HD LYS 65 1.168 15.131 6.046 549 2HD LYS 65 1HD LYS 65 2.710 15.287 5.202 550 1HE LYS 65 2HE LYS 65 2.113 17.451 4.369 551 2HE LYS 65 1HE LYS 65 0.466 17.285 4.975 552 1HZ LYS 65 1HZ LYS 65 1.293 17.326 7.222 553 2HZ LYS 65 2HZ LYS 65 1.857 18.696 6.393 554 3HZ LYS 65 3HZ LYS 65 2.900 17.393 6.679 555 HN2 GLY 66 H GLY 66 0.139 12.030 5.623 556 1HA GLY 66 2HA GLY 66 1.043 11.760 7.763 557 2HA GLY 66 1HA GLY 66 0.231 13.240 8.266 558 H ALA 67 H ALA 67 -0.917 10.206 6.833 559 HA ALA 67 HA ALA 67 -3.089 10.197 8.794 560 1HB ALA 67 1HB ALA 67 -2.807 8.682 6.203 561 2HB ALA 67 2HB ALA 67 -3.760 10.145 6.453 562 3HB ALA 67 3HB ALA 67 -4.213 8.647 7.265 563 H SER 68 H SER 68 -3.676 8.268 9.878 564 HA SER 68 HA SER 68 -1.404 6.545 10.460 565 1HB SER 68 2HB SER 68 -2.906 5.736 12.317 566 2HB SER 68 1HB SER 68 -2.512 7.453 12.386 567 HG SER 68 HG SER 68 -4.741 7.116 12.722 568 H ASP 69 H ASP 69 -1.995 4.175 10.875 569 HA ASP 69 HA ASP 69 -2.897 2.954 8.514 570 1HB ASP 69 2HB ASP 69 -1.416 2.002 10.419 571 2HB ASP 69 1HB ASP 69 -2.935 1.592 11.208 572 H GLU 70 H GLU 70 -4.503 3.759 11.529 573 HA GLU 70 HA GLU 70 -6.959 2.494 11.106 574 1HB GLU 70 2HB GLU 70 -6.283 5.015 12.626 575 2HB GLU 70 1HB GLU 70 -7.795 4.144 12.748 576 1HG GLU 70 2HG GLU 70 -6.678 2.226 13.673 577 2HG GLU 70 1HG GLU 70 -5.109 3.002 13.452 578 H GLU 71 H GLU 71 -5.869 5.797 10.375 579 HA GLU 71 HA GLU 71 -8.256 6.812 9.344 580 1HB GLU 71 2HB GLU 71 -6.336 8.219 9.915 581 2HB GLU 71 1HB GLU 71 -5.402 7.502 8.610 582 1HG GLU 71 2HG GLU 71 -6.167 9.660 7.926 583 2HG GLU 71 1HG GLU 71 -7.017 8.432 6.991 584 H VAL 72 H VAL 72 -5.509 5.343 7.639 585 HA VAL 72 HA VAL 72 -6.622 5.495 5.059 586 HB VAL 72 HB VAL 72 -4.613 3.471 6.074 587 1HG1 VAL 72 1HG1 VAL 72 -3.860 3.428 3.725 588 2HG1 VAL 72 2HG1 VAL 72 -5.214 4.473 3.293 589 3HG1 VAL 72 3HG1 VAL 72 -5.515 2.850 3.917 590 1HG2 VAL 72 1HG2 VAL 72 -4.163 6.207 4.884 591 2HG2 VAL 72 2HG2 VAL 72 -2.905 5.035 5.278 592 3HG2 VAL 72 3HG2 VAL 72 -3.885 5.744 6.562 593 H LYS 73 H LYS 73 -6.755 3.005 7.557 594 HA LYS 73 HA LYS 73 -8.040 0.993 6.073 595 1HB LYS 73 2HB LYS 73 -7.008 1.069 8.531 596 2HB LYS 73 1HB LYS 73 -8.684 1.364 8.968 597 1HG LYS 73 2HG LYS 73 -8.574 -0.823 7.148 598 2HG LYS 73 1HG LYS 73 -7.413 -1.091 8.446 599 1HD LYS 73 2HD LYS 73 -9.304 -2.020 9.355 600 2HD LYS 73 1HD LYS 73 -9.420 -0.372 9.973 601 1HE LYS 73 2HE LYS 73 -11.079 0.207 8.423 602 2HE LYS 73 1HE LYS 73 -10.735 -1.189 7.404 603 1HZ LYS 73 1HZ LYS 73 -12.018 -1.218 10.080 604 2HZ LYS 73 2HZ LYS 73 -11.537 -2.610 9.248 605 3HZ LYS 73 3HZ LYS 73 -12.744 -1.606 8.597 606 H LYS 74 H LYS 74 -9.325 3.568 8.134 607 HA LYS 74 HA LYS 74 -12.049 2.926 7.801 608 1HB LYS 74 2HB LYS 74 -10.488 5.095 8.972 609 2HB LYS 74 1HB LYS 74 -11.992 5.658 8.256 610 1HG LYS 74 2HG LYS 74 -11.804 3.412 10.255 611 2HG LYS 74 1HG LYS 74 -12.170 5.091 10.662 612 1HD LYS 74 2HD LYS 74 -14.136 5.001 9.192 613 2HD LYS 74 1HD LYS 74 -13.776 3.314 8.829 614 1HE LYS 74 2HE LYS 74 -14.119 2.699 11.138 615 2HE LYS 74 1HE LYS 74 -14.342 4.391 11.589 616 1HZ LYS 74 1HZ LYS 74 -16.100 2.869 9.736 617 2HZ LYS 74 2HZ LYS 74 -16.322 4.474 10.238 618 3HZ LYS 74 3HZ LYS 74 -16.452 3.210 11.362 619 H LYS 75 H LYS 75 -9.907 5.128 6.040 620 HA LYS 75 HA LYS 75 -11.919 6.251 4.399 621 1HB LYS 75 2HB LYS 75 -9.291 6.784 4.814 622 2HB LYS 75 1HB LYS 75 -9.208 5.991 3.246 623 1HG LYS 75 2HG LYS 75 -9.521 8.088 2.494 624 2HG LYS 75 1HG LYS 75 -11.221 7.702 2.772 625 1HD LYS 75 2HD LYS 75 -9.410 9.070 4.764 626 2HD LYS 75 1HD LYS 75 -10.542 9.904 3.700 627 1HE LYS 75 2HE LYS 75 -12.413 8.875 4.772 628 2HE LYS 75 1HE LYS 75 -11.365 7.786 5.681 629 1HZ LYS 75 1HZ LYS 75 -10.517 9.614 6.939 630 2HZ LYS 75 2HZ LYS 75 -12.210 9.689 6.991 631 3HZ LYS 75 3HZ LYS 75 -11.351 10.744 5.982 632 H LEU 76 H LEU 76 -9.707 3.515 3.932 633 HA LEU 76 HA LEU 76 -10.525 2.856 1.326 634 1HB LEU 76 2HB LEU 76 -9.168 1.368 3.535 635 2HB LEU 76 1HB LEU 76 -9.678 0.511 2.099 636 HG LEU 76 HG LEU 76 -7.768 2.846 2.161 637 1HD1 LEU 76 1HD1 LEU 76 -6.779 0.836 3.090 638 2HD1 LEU 76 2HD1 LEU 76 -6.091 1.184 1.504 639 3HD1 LEU 76 3HD1 LEU 76 -7.295 -0.092 1.682 640 1HD2 LEU 76 1HD2 LEU 76 -9.090 2.795 0.110 641 2HD2 LEU 76 2HD2 LEU 76 -8.659 1.101 -0.133 642 3HD2 LEU 76 3HD2 LEU 76 -7.413 2.347 -0.206 643 H GLU 77 H GLU 77 -11.817 2.019 4.472 644 HA GLU 77 HA GLU 77 -13.659 0.064 3.464 645 1HB GLU 77 2HB GLU 77 -12.741 0.246 5.841 646 2HB GLU 77 1HB GLU 77 -13.885 1.557 6.072 647 1HG GLU 77 2HG GLU 77 -15.737 0.077 5.640 648 2HG GLU 77 1HG GLU 77 -14.631 -1.244 5.270 649 H GLU 78 H GLU 78 -13.806 3.459 4.390 650 HA GLU 78 HA GLU 78 -16.537 3.937 4.023 651 1HB GLU 78 2HB GLU 78 -14.843 5.476 5.068 652 2HB GLU 78 1HB GLU 78 -14.261 5.848 3.456 653 1HG GLU 78 2HG GLU 78 -17.102 6.322 4.290 654 2HG GLU 78 1HG GLU 78 -15.829 7.510 4.538 655 H SER 79 H SER 79 -13.841 4.337 1.722 656 HA SER 79 HA SER 79 -15.574 4.891 -0.481 657 1HB SER 79 2HB SER 79 -12.658 4.079 -0.474 658 2HB SER 79 1HB SER 79 -13.530 4.852 -1.793 659 HG SER 79 HG SER 79 -13.858 6.326 0.403 660 H ASN 80 H ASN 80 -14.786 2.125 1.175 661 HA ASN 80 HA ASN 80 -15.211 -0.071 0.918 662 1HB ASN 80 2HB ASN 80 -17.384 1.029 -0.023 663 2HB ASN 80 1HB ASN 80 -16.785 0.470 -1.580 664 1HD2 ASN 80 1HD2 ASN 80 -17.901 -0.502 1.579 665 2HD2 ASN 80 2HD2 ASN 80 -18.259 -2.141 1.166 666 H LEU 81 H LEU 81 -13.009 1.329 -0.603 667 HA LEU 81 HA LEU 81 -12.553 -0.423 -2.863 668 1HB LEU 81 2HB LEU 81 -11.802 1.979 -2.787 669 2HB LEU 81 1HB LEU 81 -10.638 1.519 -1.560 670 HG LEU 81 HG LEU 81 -9.539 0.013 -3.165 671 1HD1 LEU 81 1HD1 LEU 81 -11.449 -0.533 -4.562 672 2HD1 LEU 81 2HD1 LEU 81 -10.136 0.127 -5.538 673 3HD1 LEU 81 3HD1 LEU 81 -11.527 1.134 -5.134 674 1HD2 LEU 81 1HD2 LEU 81 -8.573 1.749 -4.595 675 2HD2 LEU 81 2HD2 LEU 81 -8.731 2.294 -2.926 676 3HD2 LEU 81 3HD2 LEU 81 -9.880 2.844 -4.148 677 H THR 82 H THR 82 -12.246 -0.572 0.442 678 HA THR 82 HA THR 82 -10.000 -2.083 0.977 679 HB THR 82 HB THR 82 -11.488 -1.303 2.725 680 HG1 THR 82 HG1 THR 82 -11.892 -3.618 3.673 681 1HG2 THR 82 1HG2 THR 82 -13.653 -2.356 3.159 682 2HG2 THR 82 2HG2 THR 82 -13.478 -3.315 1.690 683 3HG2 THR 82 3HG2 THR 82 -13.625 -1.561 1.584 684 H GLU 83 H GLU 83 -13.006 -2.992 -0.522 685 HA GLU 83 HA GLU 83 -12.797 -5.772 -0.531 686 1HB GLU 83 2HB GLU 83 -14.791 -4.489 -1.237 687 2HB GLU 83 1HB GLU 83 -13.937 -3.981 -2.683 688 1HG GLU 83 2HG GLU 83 -13.792 -6.319 -3.403 689 2HG GLU 83 1HG GLU 83 -14.694 -6.802 -1.965 690 H TYR 84 H TYR 84 -11.709 -3.437 -2.982 691 HA TYR 84 HA TYR 84 -10.385 -5.401 -4.568 692 1HB TYR 84 2HB TYR 84 -11.173 -3.346 -5.594 693 2HB TYR 84 1HB TYR 84 -10.138 -2.385 -4.543 694 HD1 TYR 84 HD2 TYR 84 -9.922 -5.117 -7.085 695 HD2 TYR 84 HD1 TYR 84 -8.073 -1.699 -5.343 696 HE1 TYR 84 HE2 TYR 84 -8.115 -5.255 -8.744 697 HE2 TYR 84 HE1 TYR 84 -6.260 -1.831 -7.000 698 HH TYR 84 HH TYR 84 -6.444 -3.703 -9.777 699 H MET 85 H MET 85 -9.517 -3.573 -1.778 700 HA MET 85 HA MET 85 -6.694 -3.800 -2.080 701 1HB MET 85 2HB MET 85 -7.907 -2.180 -0.554 702 2HB MET 85 1HB MET 85 -8.196 -3.538 0.524 703 1HG MET 85 2HG MET 85 -6.286 -2.224 1.244 704 2HG MET 85 1HG MET 85 -5.804 -3.861 0.796 705 1HE MET 85 1HE MET 85 -3.269 -2.889 0.824 706 2HE MET 85 2HE MET 85 -3.845 -1.249 1.130 707 3HE MET 85 3HE MET 85 -2.734 -1.560 -0.204 708 H LYS 86 H LYS 86 -9.210 -5.852 -0.734 709 HA LYS 86 HA LYS 86 -7.358 -7.812 0.262 710 1HB LYS 86 2HB LYS 86 -10.258 -7.415 0.234 711 2HB LYS 86 1HB LYS 86 -9.785 -9.082 -0.016 712 1HG LYS 86 2HG LYS 86 -9.990 -8.995 2.269 713 2HG LYS 86 1HG LYS 86 -8.267 -8.681 2.060 714 1HD LYS 86 2HD LYS 86 -8.960 -7.057 3.587 715 2HD LYS 86 1HD LYS 86 -8.916 -6.206 2.041 716 1HE LYS 86 2HE LYS 86 -10.934 -5.574 3.120 717 2HE LYS 86 1HE LYS 86 -11.369 -6.681 1.819 718 1HZ LYS 86 1HZ LYS 86 -11.222 -7.281 4.722 719 2HZ LYS 86 2HZ LYS 86 -11.380 -8.479 3.535 720 3HZ LYS 86 3HZ LYS 86 -12.596 -7.313 3.726 721 H GLU 87 H GLU 87 -9.325 -7.308 -2.608 722 HA GLU 87 HA GLU 87 -8.977 -9.813 -3.827 723 1HB GLU 87 2HB GLU 87 -10.456 -7.711 -4.440 724 2HB GLU 87 1HB GLU 87 -9.098 -7.321 -5.475 725 1HG GLU 87 2HG GLU 87 -10.786 -9.811 -5.576 726 2HG GLU 87 1HG GLU 87 -10.805 -8.475 -6.721 727 H LYS 88 H LYS 88 -7.327 -10.718 -4.794 728 HA LYS 88 HA LYS 88 -5.222 -11.136 -5.537 729 1HB LYS 88 2HB LYS 88 -6.082 -9.596 -7.340 730 2HB LYS 88 1HB LYS 88 -5.259 -8.279 -6.519 731 1HG LYS 88 2HG LYS 88 -3.132 -9.229 -6.947 732 2HG LYS 88 1HG LYS 88 -3.850 -10.744 -7.495 733 1HD LYS 88 2HD LYS 88 -4.244 -8.086 -8.867 734 2HD LYS 88 1HD LYS 88 -3.026 -9.271 -9.331 735 1HE LYS 88 2HE LYS 88 -4.792 -9.697 -10.792 736 2HE LYS 88 1HE LYS 88 -4.978 -10.919 -9.539 737 1HZ LYS 88 1HZ LYS 88 -6.648 -9.392 -8.494 738 2HZ LYS 88 2HZ LYS 88 -7.107 -10.034 -9.983 739 3HZ LYS 88 3HZ LYS 88 -6.566 -8.433 -9.891 740 H ILE 89 H ILE 89 -4.097 -11.444 -3.684 741 HA ILE 89 HA ILE 89 -2.816 -9.119 -2.445 742 HB ILE 89 HB ILE 89 -4.929 -9.801 -1.244 743 1HG1 ILE 89 2HG1 ILE 89 -2.371 -10.091 0.349 744 2HG1 ILE 89 1HG1 ILE 89 -3.118 -8.562 -0.109 745 1HG2 ILE 89 1HG2 ILE 89 -4.797 -12.193 -1.578 746 2HG2 ILE 89 2HG2 ILE 89 -4.862 -11.821 0.145 747 3HG2 ILE 89 3HG2 ILE 89 -3.330 -12.271 -0.603 748 1HD1 ILE 89 1HD1 ILE 89 -5.074 -9.120 1.233 749 2HD1 ILE 89 2HD1 ILE 89 -3.599 -9.130 2.199 750 3HD1 ILE 89 3HD1 ILE 89 -4.329 -10.652 1.687 751 H LYS 90 H LYS 90 -1.221 -9.996 -0.701 752 HA LYS 90 HA LYS 90 0.809 -11.450 -1.974 753 1HB LYS 90 2HB LYS 90 1.866 -11.424 0.300 754 2HB LYS 90 1HB LYS 90 1.321 -9.843 -0.252 755 1HG LYS 90 2HG LYS 90 -0.704 -10.067 1.092 756 2HG LYS 90 1HG LYS 90 -0.164 -11.649 1.645 757 1HD LYS 90 2HD LYS 90 1.777 -10.610 2.713 758 2HD LYS 90 1HD LYS 90 1.230 -9.023 2.156 759 1HE LYS 90 2HE LYS 90 -0.809 -9.242 3.439 760 2HE LYS 90 1HE LYS 90 -0.358 -10.870 3.930 761 1HZ LYS 90 1HZ LYS 90 0.095 -9.368 5.700 762 2HZ LYS 90 2HZ LYS 90 0.994 -8.344 4.694 763 3HZ LYS 90 3HZ LYS 90 1.579 -9.887 5.070 764 H ILE 91 H ILE 91 1.277 -13.574 -2.054 765 HA ILE 91 HA ILE 91 -0.309 -15.440 -0.433 766 HB ILE 91 HB ILE 91 1.507 -16.025 -2.790 767 1HG1 ILE 91 2HG1 ILE 91 -0.802 -16.776 -3.762 768 2HG1 ILE 91 1HG1 ILE 91 -1.470 -15.704 -2.536 769 1HG2 ILE 91 1HG2 ILE 91 -0.281 -17.847 -1.184 770 2HG2 ILE 91 2HG2 ILE 91 1.480 -17.888 -1.259 771 3HG2 ILE 91 3HG2 ILE 91 0.527 -18.295 -2.685 772 1HD1 ILE 91 1HD1 ILE 91 -1.288 -14.592 -4.683 773 2HD1 ILE 91 2HD1 ILE 91 0.445 -14.913 -4.719 774 3HD1 ILE 91 3HD1 ILE 91 -0.229 -13.839 -3.493 775 H ARG 92 H ARG 92 0.607 -16.152 1.406 776 HA ARG 92 HA ARG 92 3.549 -16.191 1.536 777 1HB ARG 92 2HB ARG 92 2.422 -14.589 3.096 778 2HB ARG 92 1HB ARG 92 1.635 -15.962 3.868 779 1HG ARG 92 2HG ARG 92 3.916 -16.885 4.341 780 2HG ARG 92 1HG ARG 92 4.579 -15.354 3.770 781 1HD ARG 92 2HD ARG 92 3.183 -14.200 5.488 782 2HD ARG 92 1HD ARG 92 2.741 -15.787 6.119 783 HE ARG 92 HE ARG 92 5.470 -14.653 6.111 784 1HH1 ARG 92 1HH1 ARG 92 3.071 -16.845 7.429 785 2HH1 ARG 92 2HH1 ARG 92 4.094 -17.398 8.722 786 1HH2 ARG 92 1HH2 ARG 92 6.815 -15.364 7.798 787 2HH2 ARG 92 2HH2 ARG 92 6.240 -16.547 8.935 788 H MET 93 H MET 93 3.815 -18.270 0.778 789 HA MET 93 HA MET 93 4.119 -20.514 0.942 790 1HB MET 93 2HB MET 93 3.440 -19.875 3.806 791 2HB MET 93 1HB MET 93 3.716 -21.532 3.289 792 1HG MET 93 2HG MET 93 5.733 -20.666 4.228 793 2HG MET 93 1HG MET 93 5.957 -20.869 2.496 794 1HE MET 93 1HE MET 93 7.911 -19.148 4.371 795 2HE MET 93 2HE MET 93 8.194 -17.759 3.319 796 3HE MET 93 3HE MET 93 8.150 -19.386 2.642 797 HA PRO 94 HA PRO 94 0.120 -22.473 0.496 798 1HB PRO 94 2HB PRO 94 0.971 -25.016 1.610 799 2HB PRO 94 1HB PRO 94 0.668 -24.594 -0.076 800 1HG PRO 94 2HG PRO 94 3.148 -25.142 0.894 801 2HG PRO 94 1HG PRO 94 2.859 -24.049 -0.470 802 1HD PRO 94 2HD PRO 94 3.395 -23.394 2.406 803 2HD PRO 94 1HD PRO 94 4.028 -22.619 0.936 804 H THR 95 H THR 95 1.151 -21.539 3.354 805 HA THR 95 HA THR 95 -0.706 -23.082 4.989 806 HB THR 95 HB THR 95 0.292 -21.734 6.884 807 HG1 THR 95 HG1 THR 95 1.108 -20.071 5.336 808 1HG2 THR 95 1HG2 THR 95 1.048 -24.003 6.419 809 2HG2 THR 95 2HG2 THR 95 2.412 -22.993 6.900 810 3HG2 THR 95 3HG2 THR 95 2.172 -23.396 5.201 811 H LEU 96 H LEU 96 -2.588 -22.194 3.941 812 HA LEU 96 HA LEU 96 -3.349 -19.656 5.174 813 1HB LEU 96 2HB LEU 96 -4.592 -18.965 3.178 814 2HB LEU 96 1HB LEU 96 -2.873 -19.075 2.879 815 HG LEU 96 HG LEU 96 -4.759 -21.282 2.072 816 1HD1 LEU 96 1HD1 LEU 96 -5.557 -19.221 1.047 817 2HD1 LEU 96 2HD1 LEU 96 -4.813 -20.273 -0.156 818 3HD1 LEU 96 3HD1 LEU 96 -3.931 -18.873 0.455 819 1HD2 LEU 96 1HD2 LEU 96 -2.989 -21.778 0.455 820 2HD2 LEU 96 2HD2 LEU 96 -2.384 -21.837 2.111 821 3HD2 LEU 96 3HD2 LEU 96 -2.032 -20.441 1.093 Start of MODEL 8 1 1H MET 1 1H MET 1 10.647 13.565 -11.194 2 2H MET 1 2H MET 1 10.622 15.182 -10.675 3 3H MET 1 3H MET 1 10.915 14.819 -12.304 4 HA MET 1 HA MET 1 8.673 15.613 -12.014 5 1HB MET 1 2HB MET 1 9.093 13.957 -13.765 6 2HB MET 1 1HB MET 1 8.879 12.651 -12.609 7 1HG MET 1 2HG MET 1 6.917 12.855 -13.969 8 2HG MET 1 1HG MET 1 6.534 13.319 -12.313 9 1HE MET 1 1HE MET 1 8.406 15.470 -15.089 10 2HE MET 1 2HE MET 1 7.021 16.278 -15.826 11 3HE MET 1 3HE MET 1 7.199 14.526 -15.954 12 HA PRO 2 HA PRO 2 6.907 14.845 -7.970 13 1HB PRO 2 2HB PRO 2 4.432 15.652 -9.421 14 2HB PRO 2 1HB PRO 2 5.087 16.252 -7.894 15 1HG PRO 2 2HG PRO 2 5.284 17.700 -10.116 16 2HG PRO 2 1HG PRO 2 6.616 17.644 -8.947 17 1HD PRO 2 2HD PRO 2 6.349 16.276 -11.589 18 2HD PRO 2 1HD PRO 2 7.789 16.974 -10.820 19 H ALA 3 H ALA 3 6.828 12.709 -7.608 20 HA ALA 3 HA ALA 3 4.621 11.201 -8.811 21 1HB ALA 3 1HB ALA 3 6.708 10.564 -9.937 22 2HB ALA 3 2HB ALA 3 6.047 9.230 -8.989 23 3HB ALA 3 3HB ALA 3 7.420 10.152 -8.377 24 H ILE 4 H ILE 4 4.336 9.088 -7.526 25 HA ILE 4 HA ILE 4 3.693 8.077 -5.602 26 HB ILE 4 HB ILE 4 5.883 9.739 -4.357 27 1HG1 ILE 4 2HG1 ILE 4 6.700 8.171 -6.042 28 2HG1 ILE 4 1HG1 ILE 4 7.186 7.652 -4.431 29 1HG2 ILE 4 1HG2 ILE 4 4.273 9.074 -2.664 30 2HG2 ILE 4 2HG2 ILE 4 5.774 8.169 -2.470 31 3HG2 ILE 4 3HG2 ILE 4 4.369 7.398 -3.205 32 1HD1 ILE 4 1HD1 ILE 4 5.363 6.015 -4.425 33 2HD1 ILE 4 2HD1 ILE 4 6.484 5.761 -5.763 34 3HD1 ILE 4 3HD1 ILE 4 4.917 6.519 -6.056 35 H GLU 5 H GLU 5 1.653 8.820 -5.398 36 HA GLU 5 HA GLU 5 1.196 11.530 -4.442 37 1HB GLU 5 2HB GLU 5 -0.011 10.626 -6.442 38 2HB GLU 5 1HB GLU 5 -0.812 9.474 -5.383 39 1HG GLU 5 2HG GLU 5 -2.216 11.407 -5.902 40 2HG GLU 5 1HG GLU 5 -1.881 11.266 -4.176 41 H VAL 6 H VAL 6 0.168 12.025 -2.542 42 HA VAL 6 HA VAL 6 0.496 10.198 -0.418 43 HB VAL 6 HB VAL 6 -0.791 11.887 0.949 44 1HG1 VAL 6 1HG1 VAL 6 1.637 11.917 0.817 45 2HG1 VAL 6 2HG1 VAL 6 1.001 13.564 0.860 46 3HG1 VAL 6 3HG1 VAL 6 1.558 12.873 -0.667 47 1HG2 VAL 6 1HG2 VAL 6 -0.728 13.447 -1.633 48 2HG2 VAL 6 2HG2 VAL 6 -1.204 14.082 -0.056 49 3HG2 VAL 6 3HG2 VAL 6 -2.173 12.827 -0.832 50 HN2 GLY 7 H GLY 7 -0.649 8.443 -0.180 51 1HA GLY 7 2HA GLY 7 -2.607 7.383 0.595 52 2HA GLY 7 1HA GLY 7 -3.558 8.689 -0.093 53 H ARG 8 H ARG 8 -1.396 7.882 -2.468 54 HA ARG 8 HA ARG 8 -3.466 6.354 -3.811 55 1HB ARG 8 2HB ARG 8 -2.162 8.203 -4.942 56 2HB ARG 8 1HB ARG 8 -0.774 7.122 -4.938 57 1HG ARG 8 2HG ARG 8 -1.756 5.650 -6.446 58 2HG ARG 8 1HG ARG 8 -3.379 6.260 -6.126 59 1HD ARG 8 2HD ARG 8 -2.756 8.390 -7.216 60 2HD ARG 8 1HD ARG 8 -1.174 7.704 -7.592 61 HE ARG 8 HE ARG 8 -2.682 5.897 -8.739 62 1HH1 ARG 8 1HH1 ARG 8 -3.174 9.379 -8.757 63 2HH1 ARG 8 2HH1 ARG 8 -3.982 9.364 -10.292 64 1HH2 ARG 8 1HH2 ARG 8 -3.750 5.892 -10.722 65 2HH2 ARG 8 2HH2 ARG 8 -4.326 7.380 -11.415 66 H ILE 9 H ILE 9 -3.577 4.258 -3.742 67 HA ILE 9 HA ILE 9 -1.645 2.704 -2.363 68 HB ILE 9 HB ILE 9 -3.978 1.764 -4.043 69 1HG1 ILE 9 2HG1 ILE 9 -3.812 2.284 -1.066 70 2HG1 ILE 9 1HG1 ILE 9 -4.616 3.333 -2.231 71 1HG2 ILE 9 1HG2 ILE 9 -3.849 -0.276 -2.674 72 2HG2 ILE 9 2HG2 ILE 9 -2.394 0.348 -1.895 73 3HG2 ILE 9 3HG2 ILE 9 -2.385 -0.022 -3.622 74 1HD1 ILE 9 1HD1 ILE 9 -5.385 0.498 -1.558 75 2HD1 ILE 9 2HD1 ILE 9 -6.178 1.521 -2.758 76 3HD1 ILE 9 3HD1 ILE 9 -6.223 1.967 -1.053 77 H CYS 10 H CYS 10 -0.006 1.505 -3.103 78 HA CYS 10 HA CYS 10 0.360 1.367 -6.024 79 1HB CYS 10 2HB CYS 10 2.506 1.635 -3.909 80 2HB CYS 10 1HB CYS 10 2.752 1.621 -5.653 81 HG CYS 10 HG CYS 10 0.929 4.052 -4.075 82 H VAL 11 H VAL 11 1.600 -0.469 -6.791 83 HA VAL 11 HA VAL 11 1.683 -2.718 -4.897 84 HB VAL 11 HB VAL 11 -0.219 -3.020 -6.424 85 1HG1 VAL 11 1HG1 VAL 11 0.160 -3.424 -8.819 86 2HG1 VAL 11 2HG1 VAL 11 1.849 -2.958 -8.615 87 3HG1 VAL 11 3HG1 VAL 11 0.569 -1.776 -8.342 88 1HG2 VAL 11 1HG2 VAL 11 0.360 -5.268 -7.261 89 2HG2 VAL 11 2HG2 VAL 11 0.878 -5.005 -5.596 90 3HG2 VAL 11 3HG2 VAL 11 2.056 -4.939 -6.908 91 H LYS 12 H LYS 12 3.394 -4.156 -5.144 92 HA LYS 12 HA LYS 12 5.814 -2.979 -6.024 93 1HB LYS 12 2HB LYS 12 5.078 -5.686 -4.977 94 2HB LYS 12 1HB LYS 12 6.684 -5.404 -5.625 95 1HG LYS 12 2HG LYS 12 6.738 -5.176 -3.247 96 2HG LYS 12 1HG LYS 12 6.995 -3.594 -3.981 97 1HD LYS 12 2HD LYS 12 4.774 -2.911 -3.467 98 2HD LYS 12 1HD LYS 12 4.317 -4.549 -2.989 99 1HE LYS 12 2HE LYS 12 6.379 -2.842 -1.601 100 2HE LYS 12 1HE LYS 12 4.717 -3.065 -1.059 101 1HZ LYS 12 1HZ LYS 12 6.672 -5.274 -1.400 102 2HZ LYS 12 2HZ LYS 12 5.119 -5.390 -0.735 103 3HZ LYS 12 3HZ LYS 12 6.332 -4.525 0.075 104 H VAL 13 H VAL 13 6.881 -3.113 -7.877 105 HA VAL 13 HA VAL 13 5.994 -5.108 -9.858 106 HB VAL 13 HB VAL 13 6.640 -3.501 -11.639 107 1HG1 VAL 13 1HG1 VAL 13 4.308 -3.669 -10.932 108 2HG1 VAL 13 2HG1 VAL 13 4.711 -2.025 -11.420 109 3HG1 VAL 13 3HG1 VAL 13 4.584 -2.429 -9.709 110 1HG2 VAL 13 1HG2 VAL 13 8.251 -2.169 -10.393 111 2HG2 VAL 13 2HG2 VAL 13 6.966 -1.559 -9.350 112 3HG2 VAL 13 3HG2 VAL 13 6.986 -1.138 -11.063 113 H LYS 14 H LYS 14 8.571 -3.818 -8.034 114 HA LYS 14 HA LYS 14 10.456 -5.605 -9.329 115 1HB LYS 14 2HB LYS 14 10.669 -3.499 -10.585 116 2HB LYS 14 1HB LYS 14 10.977 -2.636 -9.088 117 1HG LYS 14 2HG LYS 14 13.013 -3.098 -10.400 118 2HG LYS 14 1HG LYS 14 13.054 -3.792 -8.778 119 1HD LYS 14 2HD LYS 14 12.591 -5.977 -9.621 120 2HD LYS 14 1HD LYS 14 12.240 -5.345 -11.230 121 1HE LYS 14 2HE LYS 14 14.927 -5.119 -9.889 122 2HE LYS 14 1HE LYS 14 14.486 -6.433 -10.980 123 1HZ LYS 14 1HZ LYS 14 15.682 -4.683 -12.134 124 2HZ LYS 14 2HZ LYS 14 14.515 -3.543 -11.680 125 3HZ LYS 14 3HZ LYS 14 14.098 -4.813 -12.726 126 HN2 GLY 15 H GLY 15 11.881 -6.453 -7.915 127 1HA GLY 15 2HA GLY 15 13.340 -5.725 -5.940 128 2HA GLY 15 1HA GLY 15 11.796 -5.395 -5.168 129 H ARG 16 H ARG 16 11.514 -8.032 -7.190 130 HA ARG 16 HA ARG 16 11.547 -10.286 -6.984 131 1HB ARG 16 2HB ARG 16 13.220 -9.733 -4.538 132 2HB ARG 16 1HB ARG 16 12.806 -11.355 -5.079 133 1HG ARG 16 2HG ARG 16 13.977 -11.031 -7.146 134 2HG ARG 16 1HG ARG 16 14.253 -9.330 -6.774 135 1HD ARG 16 2HD ARG 16 15.313 -11.617 -5.127 136 2HD ARG 16 1HD ARG 16 16.226 -10.813 -6.403 137 HE ARG 16 HE ARG 16 15.225 -8.973 -4.463 138 1HH1 ARG 16 1HH1 ARG 16 17.764 -11.283 -5.100 139 2HH1 ARG 16 2HH1 ARG 16 18.921 -10.516 -4.056 140 1HH2 ARG 16 1HH2 ARG 16 16.744 -7.945 -3.075 141 2HH2 ARG 16 2HH2 ARG 16 18.329 -8.630 -2.878 142 H GLU 17 H GLU 17 10.769 -8.501 -4.031 143 HA GLU 17 HA GLU 17 8.593 -10.383 -3.489 144 1HB GLU 17 2HB GLU 17 10.109 -9.474 -1.644 145 2HB GLU 17 1HB GLU 17 9.336 -7.919 -1.897 146 1HG GLU 17 2HG GLU 17 7.754 -10.383 -1.246 147 2HG GLU 17 1HG GLU 17 8.490 -9.393 0.007 148 H ALA 18 H ALA 18 6.842 -10.025 -4.702 149 HA ALA 18 HA ALA 18 5.944 -7.258 -5.082 150 1HB ALA 18 1HB ALA 18 5.406 -7.744 -7.425 151 2HB ALA 18 2HB ALA 18 6.104 -9.356 -7.250 152 3HB ALA 18 3HB ALA 18 7.130 -7.930 -7.104 153 HN2 GLY 19 H GLY 19 5.090 -9.317 -3.248 154 1HA GLY 19 2HA GLY 19 2.487 -10.090 -4.409 155 2HA GLY 19 1HA GLY 19 3.314 -10.974 -3.138 156 H SER 20 H SER 20 2.777 -7.482 -3.394 157 HA SER 20 HA SER 20 0.778 -7.523 -1.326 158 1HB SER 20 2HB SER 20 2.237 -6.049 0.189 159 2HB SER 20 1HB SER 20 2.578 -7.782 0.170 160 HG SER 20 HG SER 20 4.333 -7.413 -1.166 161 H LYS 21 H LYS 21 -0.385 -5.654 -1.206 162 HA LYS 21 HA LYS 21 0.436 -3.425 -2.934 163 1HB LYS 21 2HB LYS 21 -2.230 -3.929 -1.579 164 2HB LYS 21 1HB LYS 21 -1.877 -2.622 -2.700 165 1HG LYS 21 2HG LYS 21 -1.384 -4.401 -4.428 166 2HG LYS 21 1HG LYS 21 -2.071 -5.565 -3.290 167 1HD LYS 21 2HD LYS 21 -4.168 -4.273 -3.268 168 2HD LYS 21 1HD LYS 21 -3.475 -3.154 -4.441 169 1HE LYS 21 2HE LYS 21 -4.716 -4.571 -5.787 170 2HE LYS 21 1HE LYS 21 -3.105 -5.279 -5.878 171 1HZ LYS 21 1HZ LYS 21 -3.763 -6.906 -4.211 172 2HZ LYS 21 2HZ LYS 21 -4.815 -6.965 -5.542 173 3HZ LYS 21 3HZ LYS 21 -5.303 -6.207 -4.105 174 H CYS 22 H CYS 22 0.622 -1.303 -2.060 175 HA CYS 22 HA CYS 22 0.450 -1.045 0.848 176 1HB CYS 22 2HB CYS 22 3.005 -0.504 -0.679 177 2HB CYS 22 1HB CYS 22 2.744 -0.212 1.039 178 HG CYS 22 HG CYS 22 1.964 -3.267 0.775 179 H VAL 23 H VAL 23 0.553 1.161 1.586 180 HA VAL 23 HA VAL 23 0.208 3.160 -0.549 181 HB VAL 23 HB VAL 23 -1.956 2.580 0.531 182 1HG1 VAL 23 1HG1 VAL 23 -1.168 2.044 2.764 183 2HG1 VAL 23 2HG1 VAL 23 -2.398 3.306 2.824 184 3HG1 VAL 23 3HG1 VAL 23 -0.697 3.726 3.019 185 1HG2 VAL 23 1HG2 VAL 23 -1.647 4.779 -0.463 186 2HG2 VAL 23 2HG2 VAL 23 -0.985 5.391 1.051 187 3HG2 VAL 23 3HG2 VAL 23 -2.672 4.884 0.968 188 H ILE 24 H ILE 24 1.031 5.233 -0.101 189 HA ILE 24 HA ILE 24 3.149 5.254 1.898 190 HB ILE 24 HB ILE 24 2.524 7.265 -0.276 191 1HG1 ILE 24 2HG1 ILE 24 4.794 6.354 -1.145 192 2HG1 ILE 24 1HG1 ILE 24 4.465 4.969 -0.112 193 1HG2 ILE 24 1HG2 ILE 24 4.890 7.086 1.579 194 2HG2 ILE 24 2HG2 ILE 24 3.627 8.313 1.613 195 3HG2 ILE 24 3HG2 ILE 24 4.724 8.215 0.236 196 1HD1 ILE 24 1HD1 ILE 24 3.794 4.558 -2.413 197 2HD1 ILE 24 2HD1 ILE 24 2.708 5.944 -2.351 198 3HD1 ILE 24 3HD1 ILE 24 2.403 4.543 -1.328 199 H VAL 25 H VAL 25 2.908 6.220 3.808 200 HA VAL 25 HA VAL 25 0.504 7.832 4.226 201 HB VAL 25 HB VAL 25 0.999 7.554 6.662 202 1HG1 VAL 25 1HG1 VAL 25 0.256 5.218 6.740 203 2HG1 VAL 25 2HG1 VAL 25 0.694 5.024 5.043 204 3HG1 VAL 25 3HG1 VAL 25 -0.606 6.129 5.497 205 1HG2 VAL 25 1HG2 VAL 25 2.592 5.784 7.318 206 2HG2 VAL 25 2HG2 VAL 25 3.395 7.157 6.553 207 3HG2 VAL 25 3HG2 VAL 25 3.129 5.670 5.642 208 H ASP 26 H ASP 26 3.983 8.131 4.251 209 HA ASP 26 HA ASP 26 3.717 10.999 4.462 210 1HB ASP 26 2HB ASP 26 3.829 10.258 6.851 211 2HB ASP 26 1HB ASP 26 5.398 9.533 6.517 212 H ILE 27 H ILE 27 5.292 12.034 3.393 213 HA ILE 27 HA ILE 27 7.328 10.466 2.046 214 HB ILE 27 HB ILE 27 6.812 13.446 1.901 215 1HG1 ILE 27 2HG1 ILE 27 4.837 12.182 1.165 216 2HG1 ILE 27 1HG1 ILE 27 5.616 12.975 -0.200 217 1HG2 ILE 27 1HG2 ILE 27 8.374 11.620 0.079 218 2HG2 ILE 27 2HG2 ILE 27 9.049 12.817 1.187 219 3HG2 ILE 27 3HG2 ILE 27 8.079 13.338 -0.192 220 1HD1 ILE 27 1HD1 ILE 27 4.904 10.744 -0.794 221 2HD1 ILE 27 2HD1 ILE 27 5.846 10.067 0.536 222 3HD1 ILE 27 3HD1 ILE 27 6.663 10.850 -0.816 223 H ILE 28 H ILE 28 9.065 9.986 3.256 224 HA ILE 28 HA ILE 28 9.854 11.612 5.483 225 HB ILE 28 HB ILE 28 11.285 9.240 4.276 226 1HG1 ILE 28 2HG1 ILE 28 8.988 8.673 4.963 227 2HG1 ILE 28 1HG1 ILE 28 10.176 7.902 6.005 228 1HG2 ILE 28 1HG2 ILE 28 12.710 10.600 5.707 229 2HG2 ILE 28 2HG2 ILE 28 12.358 9.047 6.462 230 3HG2 ILE 28 3HG2 ILE 28 11.517 10.499 7.001 231 1HD1 ILE 28 1HD1 ILE 28 8.595 10.374 6.664 232 2HD1 ILE 28 2HD1 ILE 28 9.788 9.605 7.710 233 3HD1 ILE 28 3HD1 ILE 28 8.302 8.751 7.287 234 H ASP 29 H ASP 29 11.514 10.574 2.506 235 HA ASP 29 HA ASP 29 12.975 13.120 2.494 236 1HB ASP 29 2HB ASP 29 14.204 10.364 2.296 237 2HB ASP 29 1HB ASP 29 15.026 11.819 1.740 238 H ASP 30 H ASP 30 14.488 12.866 0.332 239 HA ASP 30 HA ASP 30 12.708 13.130 -1.831 240 1HB ASP 30 2HB ASP 30 14.821 14.296 -1.825 241 2HB ASP 30 1HB ASP 30 15.710 12.780 -1.748 242 H ASN 31 H ASN 31 14.692 10.431 -0.757 243 HA ASN 31 HA ASN 31 13.640 8.821 -2.985 244 1HB ASN 31 2HB ASN 31 16.091 9.046 -2.954 245 2HB ASN 31 1HB ASN 31 16.133 8.387 -1.324 246 1HD2 ASN 31 1HD2 ASN 31 17.507 6.732 -2.024 247 2HD2 ASN 31 2HD2 ASN 31 16.914 5.390 -2.933 248 H PHE 32 H PHE 32 13.931 9.073 0.477 249 HA PHE 32 HA PHE 32 12.869 6.388 0.868 250 1HB PHE 32 2HB PHE 32 14.003 8.446 2.749 251 2HB PHE 32 1HB PHE 32 13.138 7.032 3.341 252 HD1 PHE 32 HD2 PHE 32 16.169 8.223 1.666 253 HD2 PHE 32 HD1 PHE 32 14.100 4.838 3.196 254 HE1 PHE 32 HE2 PHE 32 18.239 6.902 1.528 255 HE2 PHE 32 HE1 PHE 32 16.166 3.507 3.059 256 HZ PHE 32 HZ PHE 32 18.240 4.539 2.224 257 H VAL 33 H VAL 33 10.814 5.991 1.111 258 HA VAL 33 HA VAL 33 9.075 8.091 2.232 259 HB VAL 33 HB VAL 33 7.224 7.241 0.817 260 1HG1 VAL 33 1HG1 VAL 33 9.639 8.207 -0.714 261 2HG1 VAL 33 2HG1 VAL 33 8.457 9.218 0.117 262 3HG1 VAL 33 3HG1 VAL 33 7.970 8.267 -1.285 263 1HG2 VAL 33 1HG2 VAL 33 9.394 5.644 -0.543 264 2HG2 VAL 33 2HG2 VAL 33 7.743 5.839 -1.131 265 3HG2 VAL 33 3HG2 VAL 33 8.042 4.994 0.387 266 H LEU 34 H LEU 34 7.285 7.311 3.496 267 HA LEU 34 HA LEU 34 7.879 4.709 4.702 268 1HB LEU 34 2HB LEU 34 7.487 7.026 5.934 269 2HB LEU 34 1HB LEU 34 5.803 6.570 5.776 270 HG LEU 34 HG LEU 34 7.902 4.878 7.143 271 1HD1 LEU 34 1HD1 LEU 34 5.816 6.699 8.340 272 2HD1 LEU 34 2HD1 LEU 34 7.563 6.955 8.359 273 3HD1 LEU 34 3HD1 LEU 34 6.860 5.595 9.235 274 1HD2 LEU 34 1HD2 LEU 34 4.894 4.657 7.092 275 2HD2 LEU 34 2HD2 LEU 34 5.991 3.651 8.041 276 3HD2 LEU 34 3HD2 LEU 34 6.032 3.582 6.279 277 H VAL 35 H VAL 35 6.770 3.016 4.010 278 HA VAL 35 HA VAL 35 4.075 3.466 2.909 279 HB VAL 35 HB VAL 35 4.408 1.466 1.521 280 1HG1 VAL 35 1HG1 VAL 35 6.039 2.413 -0.051 281 2HG1 VAL 35 2HG1 VAL 35 6.575 3.537 1.196 282 3HG1 VAL 35 3HG1 VAL 35 4.931 3.636 0.568 283 1HG2 VAL 35 1HG2 VAL 35 7.230 1.481 2.588 284 2HG2 VAL 35 2HG2 VAL 35 6.615 0.440 1.303 285 3HG2 VAL 35 3HG2 VAL 35 5.996 0.273 2.946 286 H THR 36 H THR 36 2.479 1.925 3.345 287 HA THR 36 HA THR 36 2.932 -0.374 4.962 288 HB THR 36 HB THR 36 3.133 1.257 6.771 289 HG1 THR 36 HG1 THR 36 0.522 0.128 6.948 290 1HG2 THR 36 1HG2 THR 36 0.426 2.246 5.877 291 2HG2 THR 36 2HG2 THR 36 1.948 3.129 5.788 292 3HG2 THR 36 3HG2 THR 36 1.251 2.734 7.357 293 HN2 GLY 37 H GLY 37 0.777 -1.350 5.602 294 1HA GLY 37 2HA GLY 37 -1.428 -0.367 3.906 295 2HA GLY 37 1HA GLY 37 -1.056 -2.085 4.031 296 HA PRO 38 HA PRO 38 -3.944 -0.762 7.555 297 1HB PRO 38 2HB PRO 38 -6.170 -2.088 6.682 298 2HB PRO 38 1HB PRO 38 -5.874 -0.373 6.372 299 1HG PRO 38 2HG PRO 38 -5.460 -2.725 4.577 300 2HG PRO 38 1HG PRO 38 -6.082 -1.113 4.185 301 1HD PRO 38 2HD PRO 38 -3.538 -1.877 3.640 302 2HD PRO 38 1HD PRO 38 -3.975 -0.199 4.026 303 H LYS 39 H LYS 39 -2.730 -2.112 8.828 304 HA LYS 39 HA LYS 39 -2.420 -4.906 8.241 305 1HB LYS 39 2HB LYS 39 -1.159 -4.933 10.401 306 2HB LYS 39 1HB LYS 39 -0.586 -3.746 9.239 307 1HG LYS 39 2HG LYS 39 -2.026 -2.065 10.481 308 2HG LYS 39 1HG LYS 39 -2.151 -3.288 11.747 309 1HD LYS 39 2HD LYS 39 -0.343 -1.677 12.183 310 2HD LYS 39 1HD LYS 39 0.261 -3.322 11.993 311 1HE LYS 39 2HE LYS 39 1.653 -1.643 10.830 312 2HE LYS 39 1HE LYS 39 0.978 -2.852 9.739 313 1HZ LYS 39 1HZ LYS 39 -0.682 -1.286 9.032 314 2HZ LYS 39 2HZ LYS 39 0.841 -0.565 8.868 315 3HZ LYS 39 3HZ LYS 39 -0.169 -0.136 10.164 316 H ASP 40 H ASP 40 -4.913 -3.264 9.440 317 HA ASP 40 HA ASP 40 -5.835 -5.290 11.315 318 1HB ASP 40 2HB ASP 40 -6.268 -2.903 11.758 319 2HB ASP 40 1HB ASP 40 -7.174 -2.794 10.257 320 H ILE 41 H ILE 41 -5.821 -4.705 8.008 321 HA ILE 41 HA ILE 41 -8.049 -6.585 7.560 322 HB ILE 41 HB ILE 41 -7.214 -4.183 5.939 323 1HG1 ILE 41 2HG1 ILE 41 -9.773 -3.913 5.910 324 2HG1 ILE 41 1HG1 ILE 41 -9.787 -5.132 7.180 325 1HG2 ILE 41 1HG2 ILE 41 -7.337 -6.022 4.366 326 2HG2 ILE 41 2HG2 ILE 41 -8.691 -4.914 4.138 327 3HG2 ILE 41 3HG2 ILE 41 -8.939 -6.450 4.969 328 1HD1 ILE 41 1HD1 ILE 41 -8.427 -2.454 7.282 329 2HD1 ILE 41 2HD1 ILE 41 -8.365 -3.678 8.552 330 3HD1 ILE 41 3HD1 ILE 41 -9.904 -2.926 8.125 331 H THR 42 H THR 42 -5.033 -5.343 6.134 332 HA THR 42 HA THR 42 -4.552 -8.005 4.963 333 HB THR 42 HB THR 42 -3.333 -5.412 3.998 334 HG1 THR 42 HG1 THR 42 -5.017 -5.435 2.400 335 1HG2 THR 42 1HG2 THR 42 -3.048 -6.688 1.908 336 2HG2 THR 42 2HG2 THR 42 -3.755 -8.103 2.687 337 3HG2 THR 42 3HG2 THR 42 -2.219 -7.453 3.262 338 HN2 GLY 43 H GLY 43 -2.328 -8.775 5.009 339 1HA GLY 43 2HA GLY 43 -1.053 -8.093 7.508 340 2HA GLY 43 1HA GLY 43 -0.579 -9.375 6.406 341 H VAL 44 H VAL 44 -0.822 -5.828 6.107 342 HA VAL 44 HA VAL 44 1.976 -5.838 5.166 343 HB VAL 44 HB VAL 44 -0.164 -3.827 4.443 344 1HG1 VAL 44 1HG1 VAL 44 1.474 -3.037 2.797 345 2HG1 VAL 44 2HG1 VAL 44 2.652 -4.190 3.428 346 3HG1 VAL 44 3HG1 VAL 44 2.069 -2.877 4.449 347 1HG2 VAL 44 1HG2 VAL 44 -0.124 -4.820 2.216 348 2HG2 VAL 44 2HG2 VAL 44 -0.619 -6.002 3.428 349 3HG2 VAL 44 3HG2 VAL 44 1.017 -6.042 2.772 350 H LYS 45 H LYS 45 3.393 -4.698 6.325 351 HA LYS 45 HA LYS 45 2.320 -3.007 8.479 352 1HB LYS 45 2HB LYS 45 4.793 -4.747 8.438 353 2HB LYS 45 1HB LYS 45 4.365 -3.652 9.751 354 1HG LYS 45 2HG LYS 45 2.308 -4.887 10.141 355 2HG LYS 45 1HG LYS 45 2.683 -5.960 8.793 356 1HD LYS 45 2HD LYS 45 4.633 -6.789 9.954 357 2HD LYS 45 1HD LYS 45 4.367 -5.640 11.270 358 1HE LYS 45 2HE LYS 45 2.251 -6.703 11.803 359 2HE LYS 45 1HE LYS 45 2.446 -7.819 10.453 360 1HZ LYS 45 1HZ LYS 45 4.356 -8.776 11.526 361 2HZ LYS 45 2HZ LYS 45 3.052 -8.792 12.608 362 3HZ LYS 45 3HZ LYS 45 4.276 -7.639 12.783 363 H ARG 46 H ARG 46 4.158 -1.465 9.343 364 HA ARG 46 HA ARG 46 4.626 0.194 7.016 365 1HB ARG 46 2HB ARG 46 5.329 1.899 8.811 366 2HB ARG 46 1HB ARG 46 3.639 1.441 8.691 367 1HG ARG 46 2HG ARG 46 3.701 1.079 10.879 368 2HG ARG 46 1HG ARG 46 4.679 -0.345 10.535 369 1HD ARG 46 2HD ARG 46 5.862 2.396 10.928 370 2HD ARG 46 1HD ARG 46 5.598 1.269 12.260 371 HE ARG 46 HE ARG 46 7.073 0.085 10.118 372 1HH1 ARG 46 1HH1 ARG 46 7.381 2.205 12.888 373 2HH1 ARG 46 2HH1 ARG 46 9.046 1.800 13.176 374 1HH2 ARG 46 1HH2 ARG 46 9.258 -0.422 10.467 375 2HH2 ARG 46 2HH2 ARG 46 10.130 0.329 11.769 376 H ARG 47 H ARG 47 6.474 0.786 6.152 377 HA ARG 47 HA ARG 47 8.990 0.505 7.560 378 1HB ARG 47 2HB ARG 47 8.193 -1.263 5.306 379 2HB ARG 47 1HB ARG 47 9.823 -0.609 5.260 380 1HG ARG 47 2HG ARG 47 10.207 -1.549 7.522 381 2HG ARG 47 1HG ARG 47 8.613 -2.303 7.433 382 1HD ARG 47 2HD ARG 47 9.263 -3.615 5.545 383 2HD ARG 47 1HD ARG 47 10.784 -2.738 5.393 384 HE ARG 47 HE ARG 47 10.267 -4.283 7.843 385 1HH1 ARG 47 1HH1 ARG 47 12.036 -3.851 4.854 386 2HH1 ARG 47 2HH1 ARG 47 13.281 -4.995 5.265 387 1HH2 ARG 47 1HH2 ARG 47 11.896 -5.810 8.387 388 2HH2 ARG 47 2HH2 ARG 47 13.191 -6.105 7.266 389 H ARG 48 H ARG 48 10.619 1.808 6.681 390 HA ARG 48 HA ARG 48 9.713 3.687 4.620 391 1HB ARG 48 2HB ARG 48 11.754 5.002 5.284 392 2HB ARG 48 1HB ARG 48 10.541 4.822 6.543 393 1HG ARG 48 2HG ARG 48 11.864 3.094 7.604 394 2HG ARG 48 1HG ARG 48 13.057 3.187 6.308 395 1HD ARG 48 2HD ARG 48 12.327 5.488 8.116 396 2HD ARG 48 1HD ARG 48 13.699 4.412 8.381 397 HE ARG 48 HE ARG 48 14.223 5.240 5.925 398 1HH1 ARG 48 1HH1 ARG 48 13.118 7.089 8.691 399 2HH1 ARG 48 2HH1 ARG 48 13.969 8.530 8.216 400 1HH2 ARG 48 1HH2 ARG 48 15.336 7.148 5.307 401 2HH2 ARG 48 2HH2 ARG 48 15.215 8.570 6.297 402 H VAL 49 H VAL 49 10.264 3.314 2.596 403 HA VAL 49 HA VAL 49 12.759 1.836 2.054 404 HB VAL 49 HB VAL 49 11.642 0.743 0.143 405 1HG1 VAL 49 1HG1 VAL 49 10.312 -0.856 1.439 406 2HG1 VAL 49 2HG1 VAL 49 10.316 0.260 2.805 407 3HG1 VAL 49 3HG1 VAL 49 11.829 -0.449 2.242 408 1HG2 VAL 49 1HG2 VAL 49 9.125 1.963 1.273 409 2HG2 VAL 49 2HG2 VAL 49 9.198 0.763 -0.017 410 3HG2 VAL 49 3HG2 VAL 49 9.883 2.367 -0.269 411 H ASN 50 H ASN 50 13.177 1.981 -0.471 412 HA ASN 50 HA ASN 50 13.152 4.834 -1.103 413 1HB ASN 50 2HB ASN 50 14.892 4.321 -2.742 414 2HB ASN 50 1HB ASN 50 15.333 3.696 -1.160 415 1HD2 ASN 50 1HD2 ASN 50 16.126 2.959 -3.930 416 2HD2 ASN 50 2HD2 ASN 50 15.852 1.258 -4.037 417 H ILE 51 H ILE 51 12.559 5.571 -3.211 418 HA ILE 51 HA ILE 51 10.228 4.217 -4.187 419 HB ILE 51 HB ILE 51 10.146 6.177 -5.797 420 1HG1 ILE 51 2HG1 ILE 51 12.367 7.182 -4.000 421 2HG1 ILE 51 1HG1 ILE 51 12.537 6.772 -5.705 422 1HG2 ILE 51 1HG2 ILE 51 10.135 6.682 -2.831 423 2HG2 ILE 51 2HG2 ILE 51 8.792 6.078 -3.801 424 3HG2 ILE 51 3HG2 ILE 51 9.383 7.723 -4.037 425 1HD1 ILE 51 1HD1 ILE 51 11.003 8.572 -6.293 426 2HD1 ILE 51 2HD1 ILE 51 12.385 9.174 -5.379 427 3HD1 ILE 51 3HD1 ILE 51 10.820 8.980 -4.587 428 H LEU 52 H LEU 52 11.307 2.302 -4.928 429 HA LEU 52 HA LEU 52 11.758 2.378 -7.756 430 1HB LEU 52 2HB LEU 52 13.995 3.010 -6.785 431 2HB LEU 52 1HB LEU 52 14.041 1.439 -6.009 432 HG LEU 52 HG LEU 52 13.999 0.362 -8.237 433 1HD1 LEU 52 1HD1 LEU 52 12.843 2.072 -9.495 434 2HD1 LEU 52 2HD1 LEU 52 14.417 1.749 -10.226 435 3HD1 LEU 52 3HD1 LEU 52 14.178 3.196 -9.244 436 1HD2 LEU 52 1HD2 LEU 52 16.122 0.768 -7.135 437 2HD2 LEU 52 2HD2 LEU 52 16.191 2.390 -7.822 438 3HD2 LEU 52 3HD2 LEU 52 16.289 0.982 -8.877 439 H HIS 53 H HIS 53 9.865 1.155 -6.006 440 HA HIS 53 HA HIS 53 10.468 -1.671 -6.526 441 1HB HIS 53 2HB HIS 53 9.554 -0.568 -3.871 442 2HB HIS 53 1HB HIS 53 9.456 -2.274 -4.296 443 HD1 HIS 53 HD1 HIS 53 11.909 -3.322 -5.018 444 HD2 HIS 53 HD2 HIS 53 11.877 0.113 -2.678 445 HE1 HIS 53 HE1 HIS 53 14.196 -3.196 -3.968 446 HE2 HIS 53 HE2 HIS 53 14.197 -1.023 -2.686 447 H LEU 54 H LEU 54 8.030 0.794 -5.895 448 HA LEU 54 HA LEU 54 6.047 -1.081 -6.953 449 1HB LEU 54 2HB LEU 54 4.351 0.018 -5.413 450 2HB LEU 54 1HB LEU 54 5.469 -1.118 -4.710 451 HG LEU 54 HG LEU 54 4.972 0.816 -3.263 452 1HD1 LEU 54 1HD1 LEU 54 7.043 -0.396 -2.944 453 2HD1 LEU 54 2HD1 LEU 54 7.254 1.319 -2.594 454 3HD1 LEU 54 3HD1 LEU 54 7.851 0.649 -4.112 455 1HD2 LEU 54 1HD2 LEU 54 5.931 3.002 -3.742 456 2HD2 LEU 54 2HD2 LEU 54 4.718 2.546 -4.939 457 3HD2 LEU 54 3HD2 LEU 54 6.433 2.436 -5.334 458 H GLU 55 H GLU 55 4.251 -0.213 -8.018 459 HA GLU 55 HA GLU 55 4.489 2.604 -8.816 460 1HB GLU 55 2HB GLU 55 3.714 0.230 -10.519 461 2HB GLU 55 1HB GLU 55 3.448 1.897 -11.001 462 1HG GLU 55 2HG GLU 55 5.933 2.245 -10.712 463 2HG GLU 55 1HG GLU 55 6.065 0.492 -10.570 464 HA PRO 56 HA PRO 56 0.535 3.060 -7.047 465 1HB PRO 56 2HB PRO 56 -0.409 5.184 -8.471 466 2HB PRO 56 1HB PRO 56 0.820 5.322 -7.210 467 1HG PRO 56 2HG PRO 56 1.157 5.212 -10.182 468 2HG PRO 56 1HG PRO 56 1.972 6.254 -9.000 469 1HD PRO 56 2HD PRO 56 3.152 4.058 -10.030 470 2HD PRO 56 1HD PRO 56 3.446 4.595 -8.362 471 H THR 57 H THR 57 -1.624 2.634 -7.310 472 HA THR 57 HA THR 57 -2.449 1.421 -9.830 473 HB THR 57 HB THR 57 -4.449 0.685 -8.579 474 HG1 THR 57 HG1 THR 57 -3.211 1.901 -6.310 475 1HG2 THR 57 1HG2 THR 57 -1.859 0.116 -7.132 476 2HG2 THR 57 2HG2 THR 57 -2.460 -0.737 -8.554 477 3HG2 THR 57 3HG2 THR 57 -3.331 -0.849 -7.025 478 H ASP 58 H ASP 58 -5.193 1.903 -9.731 479 HA ASP 58 HA ASP 58 -5.285 4.589 -10.787 480 1HB ASP 58 2HB ASP 58 -7.586 2.661 -10.419 481 2HB ASP 58 1HB ASP 58 -7.533 4.058 -11.487 482 H LYS 59 H LYS 59 -5.924 3.103 -7.771 483 HA LYS 59 HA LYS 59 -7.922 5.101 -7.029 484 1HB LYS 59 2HB LYS 59 -7.109 2.464 -5.861 485 2HB LYS 59 1HB LYS 59 -8.021 3.621 -4.905 486 1HG LYS 59 2HG LYS 59 -8.888 2.464 -7.548 487 2HG LYS 59 1HG LYS 59 -9.475 1.971 -5.955 488 1HD LYS 59 2HD LYS 59 -10.249 4.310 -5.591 489 2HD LYS 59 1HD LYS 59 -9.797 4.672 -7.258 490 1HE LYS 59 2HE LYS 59 -11.367 2.979 -8.053 491 2HE LYS 59 1HE LYS 59 -11.810 2.605 -6.386 492 1HZ LYS 59 1HZ LYS 59 -12.317 5.109 -7.885 493 2HZ LYS 59 2HZ LYS 59 -12.459 5.014 -6.198 494 3HZ LYS 59 3HZ LYS 59 -13.453 4.060 -7.183 495 H LYS 60 H LYS 60 -7.751 6.455 -5.333 496 HA LYS 60 HA LYS 60 -5.275 6.487 -3.763 497 1HB LYS 60 2HB LYS 60 -5.211 8.196 -5.659 498 2HB LYS 60 1HB LYS 60 -6.546 9.004 -4.848 499 1HG LYS 60 2HG LYS 60 -4.924 8.907 -2.782 500 2HG LYS 60 1HG LYS 60 -3.693 8.772 -4.036 501 1HD LYS 60 2HD LYS 60 -3.765 11.044 -3.807 502 2HD LYS 60 1HD LYS 60 -5.009 10.835 -5.046 503 1HE LYS 60 2HE LYS 60 -6.744 10.900 -3.345 504 2HE LYS 60 1HE LYS 60 -5.528 11.023 -2.077 505 1HZ LYS 60 1HZ LYS 60 -4.803 13.142 -3.187 506 2HZ LYS 60 2HZ LYS 60 -6.333 13.193 -2.450 507 3HZ LYS 60 3HZ LYS 60 -6.209 13.042 -4.138 508 H ILE 61 H ILE 61 -5.849 6.396 -1.662 509 HA ILE 61 HA ILE 61 -8.448 7.425 -0.847 510 HB ILE 61 HB ILE 61 -7.775 6.629 1.447 511 1HG1 ILE 61 2HG1 ILE 61 -5.477 5.359 -0.062 512 2HG1 ILE 61 1HG1 ILE 61 -5.325 6.677 1.096 513 1HG2 ILE 61 1HG2 ILE 61 -7.778 4.574 -0.761 514 2HG2 ILE 61 2HG2 ILE 61 -9.203 5.309 -0.028 515 3HG2 ILE 61 3HG2 ILE 61 -8.154 4.267 0.934 516 1HD1 ILE 61 1HD1 ILE 61 -6.313 3.898 1.702 517 2HD1 ILE 61 2HD1 ILE 61 -6.158 5.216 2.863 518 3HD1 ILE 61 3HD1 ILE 61 -4.721 4.546 2.090 519 H ASP 62 H ASP 62 -8.649 9.490 -0.430 520 HA ASP 62 HA ASP 62 -6.414 11.218 -0.440 521 1HB ASP 62 2HB ASP 62 -8.719 11.767 -1.279 522 2HB ASP 62 1HB ASP 62 -9.224 11.920 0.402 523 H ILE 63 H ILE 63 -5.021 11.118 1.190 524 HA ILE 63 HA ILE 63 -6.042 11.600 3.905 525 HB ILE 63 HB ILE 63 -4.116 10.317 4.793 526 1HG1 ILE 63 2HG1 ILE 63 -3.709 9.460 1.919 527 2HG1 ILE 63 1HG1 ILE 63 -2.650 10.551 2.806 528 1HG2 ILE 63 1HG2 ILE 63 -5.904 8.744 2.949 529 2HG2 ILE 63 2HG2 ILE 63 -6.295 9.257 4.588 530 3HG2 ILE 63 3HG2 ILE 63 -5.001 8.090 4.315 531 1HD1 ILE 63 1HD1 ILE 63 -2.140 8.751 4.382 532 2HD1 ILE 63 2HD1 ILE 63 -1.716 8.326 2.725 533 3HD1 ILE 63 3HD1 ILE 63 -3.178 7.663 3.460 534 H GLN 64 H GLN 64 -3.803 12.118 5.251 535 HA GLN 64 HA GLN 64 -2.574 14.384 3.830 536 1HB GLN 64 2HB GLN 64 -4.183 15.000 5.657 537 2HB GLN 64 1HB GLN 64 -3.137 14.162 6.795 538 1HG GLN 64 2HG GLN 64 -1.334 15.712 6.308 539 2HG GLN 64 1HG GLN 64 -2.346 16.534 5.121 540 1HE2 GLN 64 1HE2 GLN 64 -4.081 17.793 5.835 541 2HE2 GLN 64 2HE2 GLN 64 -4.190 18.361 7.472 542 H LYS 65 H LYS 65 -0.379 14.808 4.264 543 HA LYS 65 HA LYS 65 1.333 12.637 4.504 544 1HB LYS 65 2HB LYS 65 1.869 14.916 3.576 545 2HB LYS 65 1HB LYS 65 1.996 15.496 5.230 546 1HG LYS 65 2HG LYS 65 3.806 13.862 5.623 547 2HG LYS 65 1HG LYS 65 3.714 13.397 3.924 548 1HD LYS 65 2HD LYS 65 4.203 15.750 3.309 549 2HD LYS 65 1HD LYS 65 4.412 16.119 5.021 550 1HE LYS 65 2HE LYS 65 6.015 14.071 3.491 551 2HE LYS 65 1HE LYS 65 6.548 15.715 3.826 552 1HZ LYS 65 1HZ LYS 65 5.803 13.817 5.983 553 2HZ LYS 65 2HZ LYS 65 6.670 15.271 6.117 554 3HZ LYS 65 3HZ LYS 65 7.376 13.927 5.369 555 HN2 GLY 66 H GLY 66 1.494 11.330 6.192 556 1HA GLY 66 2HA GLY 66 2.392 10.936 8.387 557 2HA GLY 66 1HA GLY 66 1.790 12.517 8.874 558 H ALA 67 H ALA 67 0.273 9.765 7.225 559 HA ALA 67 HA ALA 67 -1.967 9.937 9.101 560 1HB ALA 67 1HB ALA 67 -2.515 9.985 6.724 561 2HB ALA 67 2HB ALA 67 -3.173 8.540 7.492 562 3HB ALA 67 3HB ALA 67 -1.720 8.427 6.500 563 H SER 68 H SER 68 -2.994 7.484 9.194 564 HA SER 68 HA SER 68 -0.945 5.520 9.775 565 1HB SER 68 2HB SER 68 -2.813 6.535 11.937 566 2HB SER 68 1HB SER 68 -1.717 5.159 12.096 567 HG SER 68 HG SER 68 -0.342 7.273 11.207 568 H ASP 69 H ASP 69 -2.238 3.527 10.868 569 HA ASP 69 HA ASP 69 -3.671 2.394 8.811 570 1HB ASP 69 2HB ASP 69 -3.447 1.733 11.730 571 2HB ASP 69 1HB ASP 69 -4.471 0.778 10.669 572 H GLU 70 H GLU 70 -4.938 4.043 11.679 573 HA GLU 70 HA GLU 70 -7.625 3.338 11.429 574 1HB GLU 70 2HB GLU 70 -6.567 4.563 13.351 575 2HB GLU 70 1HB GLU 70 -6.587 6.014 12.368 576 1HG GLU 70 2HG GLU 70 -9.042 5.832 12.205 577 2HG GLU 70 1HG GLU 70 -8.980 4.442 13.289 578 H GLU 71 H GLU 71 -5.956 6.203 10.211 579 HA GLU 71 HA GLU 71 -8.032 7.392 8.838 580 1HB GLU 71 2HB GLU 71 -5.051 7.394 8.636 581 2HB GLU 71 1HB GLU 71 -6.010 8.274 7.483 582 1HG GLU 71 2HG GLU 71 -6.048 8.664 10.456 583 2HG GLU 71 1HG GLU 71 -5.242 9.710 9.288 584 H VAL 72 H VAL 72 -5.550 5.147 7.693 585 HA VAL 72 HA VAL 72 -6.285 4.979 5.020 586 HB VAL 72 HB VAL 72 -5.136 2.792 6.773 587 1HG1 VAL 72 1HG1 VAL 72 -4.346 1.763 4.709 588 2HG1 VAL 72 2HG1 VAL 72 -5.157 3.010 3.763 589 3HG1 VAL 72 3HG1 VAL 72 -6.105 1.873 4.718 590 1HG2 VAL 72 1HG2 VAL 72 -3.755 4.788 6.733 591 2HG2 VAL 72 2HG2 VAL 72 -3.801 4.810 4.969 592 3HG2 VAL 72 3HG2 VAL 72 -2.984 3.495 5.814 593 H LYS 73 H LYS 73 -7.412 2.882 7.718 594 HA LYS 73 HA LYS 73 -9.168 1.357 6.118 595 1HB LYS 73 2HB LYS 73 -9.422 1.960 9.069 596 2HB LYS 73 1HB LYS 73 -10.148 0.622 8.205 597 1HG LYS 73 2HG LYS 73 -7.829 -0.174 7.679 598 2HG LYS 73 1HG LYS 73 -7.243 1.059 8.797 599 1HD LYS 73 2HD LYS 73 -9.040 -1.279 9.420 600 2HD LYS 73 1HD LYS 73 -7.391 -1.013 9.984 601 1HE LYS 73 2HE LYS 73 -8.146 0.954 11.239 602 2HE LYS 73 1HE LYS 73 -9.797 0.671 10.684 603 1HZ LYS 73 1HZ LYS 73 -8.175 -1.033 12.479 604 2HZ LYS 73 2HZ LYS 73 -9.609 -1.574 11.765 605 3HZ LYS 73 3HZ LYS 73 -9.635 -0.255 12.833 606 H LYS 74 H LYS 74 -9.552 4.276 7.993 607 HA LYS 74 HA LYS 74 -12.293 4.691 7.857 608 1HB LYS 74 2HB LYS 74 -10.512 5.954 9.142 609 2HB LYS 74 1HB LYS 74 -10.136 6.797 7.654 610 1HG LYS 74 2HG LYS 74 -12.343 7.785 7.619 611 2HG LYS 74 1HG LYS 74 -12.790 6.878 9.071 612 1HD LYS 74 2HD LYS 74 -10.899 7.975 10.261 613 2HD LYS 74 1HD LYS 74 -10.619 8.960 8.828 614 1HE LYS 74 2HE LYS 74 -12.787 9.982 9.054 615 2HE LYS 74 1HE LYS 74 -13.194 8.906 10.391 616 1HZ LYS 74 1HZ LYS 74 -11.333 9.884 11.646 617 2HZ LYS 74 2HZ LYS 74 -12.515 11.036 11.244 618 3HZ LYS 74 3HZ LYS 74 -11.062 10.978 10.376 619 H LYS 75 H LYS 75 -9.738 5.662 5.617 620 HA LYS 75 HA LYS 75 -11.540 6.861 3.729 621 1HB LYS 75 2HB LYS 75 -8.619 6.119 3.538 622 2HB LYS 75 1HB LYS 75 -9.483 7.042 2.325 623 1HG LYS 75 2HG LYS 75 -8.948 7.870 5.171 624 2HG LYS 75 1HG LYS 75 -8.175 8.510 3.722 625 1HD LYS 75 2HD LYS 75 -9.738 10.134 3.974 626 2HD LYS 75 1HD LYS 75 -10.742 8.977 3.099 627 1HE LYS 75 2HE LYS 75 -11.576 8.106 5.247 628 2HE LYS 75 1HE LYS 75 -10.601 9.304 6.097 629 1HZ LYS 75 1HZ LYS 75 -11.864 11.053 4.978 630 2HZ LYS 75 2HZ LYS 75 -12.878 10.042 5.894 631 3HZ LYS 75 3HZ LYS 75 -12.824 9.878 4.209 632 H LEU 76 H LEU 76 -10.002 3.753 4.126 633 HA LEU 76 HA LEU 76 -10.471 2.727 1.534 634 1HB LEU 76 2HB LEU 76 -8.899 1.788 3.241 635 2HB LEU 76 1HB LEU 76 -10.288 1.202 4.134 636 HG LEU 76 HG LEU 76 -10.899 -0.207 2.168 637 1HD1 LEU 76 1HD1 LEU 76 -9.783 1.099 0.441 638 2HD1 LEU 76 2HD1 LEU 76 -9.220 -0.571 0.432 639 3HD1 LEU 76 3HD1 LEU 76 -8.216 0.696 1.136 640 1HD2 LEU 76 1HD2 LEU 76 -9.146 -1.871 2.532 641 2HD2 LEU 76 2HD2 LEU 76 -9.658 -1.138 4.053 642 3HD2 LEU 76 3HD2 LEU 76 -8.138 -0.648 3.302 643 H GLU 77 H GLU 77 -12.358 2.739 4.504 644 HA GLU 77 HA GLU 77 -14.411 1.004 3.708 645 1HB GLU 77 2HB GLU 77 -13.946 1.873 6.039 646 2HB GLU 77 1HB GLU 77 -14.715 3.374 5.551 647 1HG GLU 77 2HG GLU 77 -16.806 2.243 5.179 648 2HG GLU 77 1HG GLU 77 -16.055 0.680 5.506 649 H GLU 78 H GLU 78 -14.168 4.534 3.512 650 HA GLU 78 HA GLU 78 -16.688 5.051 2.420 651 1HB GLU 78 2HB GLU 78 -14.130 6.570 1.885 652 2HB GLU 78 1HB GLU 78 -15.762 7.179 1.670 653 1HG GLU 78 2HG GLU 78 -16.143 6.999 4.070 654 2HG GLU 78 1HG GLU 78 -14.498 6.400 4.284 655 H SER 79 H SER 79 -13.595 4.394 0.827 656 HA SER 79 HA SER 79 -14.635 4.761 -1.804 657 1HB SER 79 2HB SER 79 -12.060 3.447 -0.922 658 2HB SER 79 1HB SER 79 -12.426 4.068 -2.525 659 HG SER 79 HG SER 79 -11.957 5.485 -0.136 660 H ASN 80 H ASN 80 -14.551 2.123 0.394 661 HA ASN 80 HA ASN 80 -14.937 -0.110 0.261 662 1HB ASN 80 2HB ASN 80 -17.107 0.828 -0.694 663 2HB ASN 80 1HB ASN 80 -16.452 0.465 -2.288 664 1HD2 ASN 80 1HD2 ASN 80 -18.790 -0.614 -0.876 665 2HD2 ASN 80 2HD2 ASN 80 -18.558 -2.322 -0.826 666 H LEU 81 H LEU 81 -12.533 0.270 -0.393 667 HA LEU 81 HA LEU 81 -12.038 -1.166 -2.923 668 1HB LEU 81 2HB LEU 81 -11.140 1.265 -2.430 669 2HB LEU 81 1HB LEU 81 -9.954 0.426 -1.456 670 HG LEU 81 HG LEU 81 -9.389 1.105 -3.907 671 1HD1 LEU 81 1HD1 LEU 81 -7.868 -0.769 -4.127 672 2HD1 LEU 81 2HD1 LEU 81 -8.778 -1.670 -2.916 673 3HD1 LEU 81 3HD1 LEU 81 -7.921 -0.200 -2.459 674 1HD2 LEU 81 1HD2 LEU 81 -9.870 -0.649 -5.546 675 2HD2 LEU 81 2HD2 LEU 81 -11.341 0.127 -4.957 676 3HD2 LEU 81 3HD2 LEU 81 -10.885 -1.471 -4.359 677 H THR 82 H THR 82 -12.569 -1.789 0.073 678 HA THR 82 HA THR 82 -10.340 -2.809 1.340 679 HB THR 82 HB THR 82 -13.038 -4.087 1.647 680 HG1 THR 82 HG1 THR 82 -13.851 -2.265 2.509 681 1HG2 THR 82 1HG2 THR 82 -12.419 -4.005 4.035 682 2HG2 THR 82 2HG2 THR 82 -10.893 -3.234 3.604 683 3HG2 THR 82 3HG2 THR 82 -11.226 -4.884 3.078 684 H GLU 83 H GLU 83 -12.607 -4.510 -0.832 685 HA GLU 83 HA GLU 83 -11.480 -7.068 -0.417 686 1HB GLU 83 2HB GLU 83 -13.325 -5.883 -2.457 687 2HB GLU 83 1HB GLU 83 -12.724 -7.521 -2.640 688 1HG GLU 83 2HG GLU 83 -14.199 -6.521 -0.219 689 2HG GLU 83 1HG GLU 83 -14.951 -7.373 -1.569 690 H TYR 84 H TYR 84 -10.857 -4.511 -2.755 691 HA TYR 84 HA TYR 84 -9.130 -6.153 -4.362 692 1HB TYR 84 2HB TYR 84 -10.386 -4.249 -5.324 693 2HB TYR 84 1HB TYR 84 -9.441 -3.142 -4.336 694 HD1 TYR 84 HD2 TYR 84 -8.866 -5.904 -6.796 695 HD2 TYR 84 HD1 TYR 84 -7.661 -2.092 -5.352 696 HE1 TYR 84 HE2 TYR 84 -7.165 -5.778 -8.569 697 HE2 TYR 84 HE1 TYR 84 -5.956 -1.954 -7.116 698 HH TYR 84 HH TYR 84 -5.850 -4.149 -9.753 699 H MET 85 H MET 85 -8.762 -4.043 -1.619 700 HA MET 85 HA MET 85 -5.896 -3.839 -1.863 701 1HB MET 85 2HB MET 85 -7.649 -2.268 -0.635 702 2HB MET 85 1HB MET 85 -7.311 -3.332 0.722 703 1HG MET 85 2HG MET 85 -5.215 -1.818 -0.820 704 2HG MET 85 1HG MET 85 -5.946 -1.265 0.684 705 1HE MET 85 1HE MET 85 -3.359 -0.987 1.477 706 2HE MET 85 2HE MET 85 -2.755 -1.743 0.002 707 3HE MET 85 3HE MET 85 -2.230 -2.335 1.573 708 H LYS 86 H LYS 86 -8.194 -5.730 0.042 709 HA LYS 86 HA LYS 86 -6.206 -7.110 1.567 710 1HB LYS 86 2HB LYS 86 -8.617 -6.730 2.230 711 2HB LYS 86 1HB LYS 86 -9.063 -7.958 1.057 712 1HG LYS 86 2HG LYS 86 -7.895 -9.652 2.287 713 2HG LYS 86 1HG LYS 86 -7.214 -8.445 3.383 714 1HD LYS 86 2HD LYS 86 -9.492 -7.878 4.137 715 2HD LYS 86 1HD LYS 86 -10.137 -9.138 3.084 716 1HE LYS 86 2HE LYS 86 -8.960 -10.839 4.331 717 2HE LYS 86 1HE LYS 86 -8.175 -9.611 5.323 718 1HZ LYS 86 1HZ LYS 86 -10.239 -9.035 6.318 719 2HZ LYS 86 2HZ LYS 86 -10.133 -10.728 6.376 720 3HZ LYS 86 3HZ LYS 86 -11.120 -9.981 5.217 721 H GLU 87 H GLU 87 -7.121 -7.295 -1.609 722 HA GLU 87 HA GLU 87 -6.922 -10.052 -2.157 723 1HB GLU 87 2HB GLU 87 -7.871 -8.572 -3.795 724 2HB GLU 87 1HB GLU 87 -6.398 -7.617 -3.851 725 1HG GLU 87 2HG GLU 87 -5.218 -9.611 -4.761 726 2HG GLU 87 1HG GLU 87 -6.780 -10.424 -4.855 727 H LYS 88 H LYS 88 -5.250 -11.289 -1.876 728 HA LYS 88 HA LYS 88 -2.608 -10.313 -1.425 729 1HB LYS 88 2HB LYS 88 -1.983 -12.684 -1.295 730 2HB LYS 88 1HB LYS 88 -3.414 -12.349 -0.330 731 1HG LYS 88 2HG LYS 88 -4.835 -13.282 -2.047 732 2HG LYS 88 1HG LYS 88 -3.439 -13.550 -3.091 733 1HD LYS 88 2HD LYS 88 -2.507 -15.085 -1.411 734 2HD LYS 88 1HD LYS 88 -3.939 -14.834 -0.411 735 1HE LYS 88 2HE LYS 88 -5.347 -15.753 -2.171 736 2HE LYS 88 1HE LYS 88 -3.936 -15.974 -3.203 737 1HZ LYS 88 1HZ LYS 88 -4.389 -17.304 -0.585 738 2HZ LYS 88 2HZ LYS 88 -3.038 -17.526 -1.584 739 3HZ LYS 88 3HZ LYS 88 -4.573 -18.032 -2.107 740 H ILE 89 H ILE 89 -0.819 -10.419 -2.738 741 HA ILE 89 HA ILE 89 -1.360 -11.020 -5.570 742 HB ILE 89 HB ILE 89 0.882 -9.306 -4.464 743 1HG1 ILE 89 2HG1 ILE 89 -1.311 -8.273 -4.038 744 2HG1 ILE 89 1HG1 ILE 89 -0.401 -7.374 -5.245 745 1HG2 ILE 89 1HG2 ILE 89 1.141 -8.568 -6.787 746 2HG2 ILE 89 2HG2 ILE 89 -0.139 -9.675 -7.283 747 3HG2 ILE 89 3HG2 ILE 89 1.374 -10.310 -6.636 748 1HD1 ILE 89 1HD1 ILE 89 -2.741 -7.539 -5.853 749 2HD1 ILE 89 2HD1 ILE 89 -2.646 -9.300 -5.802 750 3HD1 ILE 89 3HD1 ILE 89 -1.732 -8.402 -7.015 751 H LYS 90 H LYS 90 0.370 -12.114 -6.737 752 HA LYS 90 HA LYS 90 1.295 -14.325 -5.146 753 1HB LYS 90 2HB LYS 90 0.251 -14.279 -7.554 754 2HB LYS 90 1HB LYS 90 1.910 -13.992 -8.054 755 1HG LYS 90 2HG LYS 90 2.628 -16.079 -7.219 756 2HG LYS 90 1HG LYS 90 1.120 -16.322 -6.330 757 1HD LYS 90 2HD LYS 90 1.446 -16.247 -9.329 758 2HD LYS 90 1HD LYS 90 1.117 -17.675 -8.343 759 1HE LYS 90 2HE LYS 90 -1.041 -16.868 -7.744 760 2HE LYS 90 1HE LYS 90 -0.703 -15.277 -8.423 761 1HZ LYS 90 1HZ LYS 90 -1.091 -17.819 -9.905 762 2HZ LYS 90 2HZ LYS 90 -0.525 -16.390 -10.625 763 3HZ LYS 90 3HZ LYS 90 -2.077 -16.435 -9.946 764 H ILE 91 H ILE 91 3.478 -15.136 -5.291 765 HA ILE 91 HA ILE 91 5.703 -15.047 -5.110 766 HB ILE 91 HB ILE 91 5.407 -12.580 -6.788 767 1HG1 ILE 91 2HG1 ILE 91 4.729 -14.608 -7.922 768 2HG1 ILE 91 1HG1 ILE 91 6.258 -14.044 -8.590 769 1HG2 ILE 91 1HG2 ILE 91 7.936 -14.057 -6.068 770 2HG2 ILE 91 2HG2 ILE 91 7.493 -12.440 -5.523 771 3HG2 ILE 91 3HG2 ILE 91 7.817 -12.734 -7.230 772 1HD1 ILE 91 1HD1 ILE 91 5.905 -16.289 -6.613 773 2HD1 ILE 91 2HD1 ILE 91 7.448 -15.711 -7.247 774 3HD1 ILE 91 3HD1 ILE 91 6.269 -16.448 -8.333 775 H ARG 92 H ARG 92 5.238 -14.803 -2.904 776 HA ARG 92 HA ARG 92 6.723 -12.654 -1.737 777 1HB ARG 92 2HB ARG 92 4.834 -11.354 -1.553 778 2HB ARG 92 1HB ARG 92 3.750 -12.737 -1.516 779 1HG ARG 92 2HG ARG 92 4.121 -13.108 0.769 780 2HG ARG 92 1HG ARG 92 5.563 -12.093 0.787 781 1HD ARG 92 2HD ARG 92 2.879 -10.946 0.118 782 2HD ARG 92 1HD ARG 92 3.370 -11.173 1.797 783 HE ARG 92 HE ARG 92 5.012 -9.599 -0.086 784 1HH1 ARG 92 1HH1 ARG 92 3.142 -9.843 2.872 785 2HH1 ARG 92 2HH1 ARG 92 3.791 -8.383 3.554 786 1HH2 ARG 92 1HH2 ARG 92 5.867 -7.663 0.797 787 2HH2 ARG 92 2HH2 ARG 92 5.346 -7.143 2.373 788 H MET 93 H MET 93 7.571 -13.259 0.242 789 HA MET 93 HA MET 93 7.346 -16.056 0.875 790 1HB MET 93 2HB MET 93 9.056 -15.603 2.589 791 2HB MET 93 1HB MET 93 9.536 -15.011 1.009 792 1HG MET 93 2HG MET 93 8.343 -13.263 3.143 793 2HG MET 93 1HG MET 93 10.074 -13.512 2.938 794 1HE MET 93 1HE MET 93 10.709 -11.972 -0.601 795 2HE MET 93 2HE MET 93 10.451 -13.657 -0.144 796 3HE MET 93 3HE MET 93 11.470 -12.620 0.854 797 HA PRO 94 HA PRO 94 4.156 -15.357 3.911 798 1HB PRO 94 2HB PRO 94 4.167 -18.180 4.451 799 2HB PRO 94 1HB PRO 94 2.998 -17.259 3.507 800 1HG PRO 94 2HG PRO 94 4.716 -19.130 2.451 801 2HG PRO 94 1HG PRO 94 3.988 -17.805 1.527 802 1HD PRO 94 2HD PRO 94 6.731 -18.014 2.699 803 2HD PRO 94 1HD PRO 94 6.216 -17.322 1.144 804 H THR 95 H THR 95 7.239 -15.720 4.473 805 HA THR 95 HA THR 95 6.994 -15.710 7.331 806 HB THR 95 HB THR 95 7.100 -18.115 6.993 807 HG1 THR 95 HG1 THR 95 9.743 -17.582 7.771 808 1HG2 THR 95 1HG2 THR 95 9.022 -19.186 5.912 809 2HG2 THR 95 2HG2 THR 95 9.656 -17.601 5.473 810 3HG2 THR 95 3HG2 THR 95 8.133 -18.161 4.785 811 H LEU 96 H LEU 96 8.628 -14.543 8.251 812 HA LEU 96 HA LEU 96 10.734 -13.622 6.431 813 1HB LEU 96 2HB LEU 96 10.941 -11.651 7.925 814 2HB LEU 96 1HB LEU 96 9.391 -11.776 7.122 815 HG LEU 96 HG LEU 96 8.946 -13.029 9.551 816 1HD1 LEU 96 1HD1 LEU 96 9.764 -11.484 11.241 817 2HD1 LEU 96 2HD1 LEU 96 10.630 -10.568 10.007 818 3HD1 LEU 96 3HD1 LEU 96 11.108 -12.225 10.374 819 1HD2 LEU 96 1HD2 LEU 96 7.422 -11.536 8.377 820 2HD2 LEU 96 2HD2 LEU 96 8.454 -10.159 8.765 821 3HD2 LEU 96 3HD2 LEU 96 7.627 -11.033 10.054 Start of MODEL 9 1 1H MET 1 1H MET 1 3.867 15.524 -11.498 2 2H MET 1 2H MET 1 2.550 16.374 -10.860 3 3H MET 1 3H MET 1 3.022 16.632 -12.468 4 HA MET 1 HA MET 1 1.068 15.268 -12.434 5 1HB MET 1 2HB MET 1 3.599 13.741 -13.101 6 2HB MET 1 1HB MET 1 1.987 13.221 -13.564 7 1HG MET 1 2HG MET 1 2.988 14.261 -15.448 8 2HG MET 1 1HG MET 1 1.739 15.344 -14.838 9 1HE MET 1 1HE MET 1 5.572 14.660 -15.200 10 2HE MET 1 2HE MET 1 5.398 14.713 -13.446 11 3HE MET 1 3HE MET 1 6.280 15.992 -14.286 12 HA PRO 2 HA PRO 2 0.504 12.740 -8.854 13 1HB PRO 2 2HB PRO 2 -1.470 11.085 -9.747 14 2HB PRO 2 1HB PRO 2 -1.750 12.760 -9.256 15 1HG PRO 2 2HG PRO 2 -1.442 11.613 -12.001 16 2HG PRO 2 1HG PRO 2 -2.565 12.859 -11.424 17 1HD PRO 2 2HD PRO 2 -0.304 13.445 -12.799 18 2HD PRO 2 1HD PRO 2 -0.989 14.528 -11.571 19 H ALA 3 H ALA 3 2.326 11.583 -8.606 20 HA ALA 3 HA ALA 3 2.270 8.799 -9.237 21 1HB ALA 3 1HB ALA 3 3.128 9.658 -11.381 22 2HB ALA 3 2HB ALA 3 4.342 8.707 -10.528 23 3HB ALA 3 3HB ALA 3 4.441 10.466 -10.524 24 H ILE 4 H ILE 4 3.083 7.853 -7.486 25 HA ILE 4 HA ILE 4 4.008 7.585 -5.439 26 HB ILE 4 HB ILE 4 6.142 9.431 -6.526 27 1HG1 ILE 4 2HG1 ILE 4 5.884 7.374 -7.839 28 2HG1 ILE 4 1HG1 ILE 4 7.407 7.373 -6.956 29 1HG2 ILE 4 1HG2 ILE 4 6.217 7.612 -4.122 30 2HG2 ILE 4 2HG2 ILE 4 6.196 9.376 -4.091 31 3HG2 ILE 4 3HG2 ILE 4 7.585 8.522 -4.765 32 1HD1 ILE 4 1HD1 ILE 4 6.411 5.893 -5.276 33 2HD1 ILE 4 2HD1 ILE 4 6.382 5.190 -6.892 34 3HD1 ILE 4 3HD1 ILE 4 4.907 5.872 -6.201 35 H GLU 5 H GLU 5 2.316 8.560 -4.380 36 HA GLU 5 HA GLU 5 2.863 11.194 -3.259 37 1HB GLU 5 2HB GLU 5 0.590 11.975 -3.749 38 2HB GLU 5 1HB GLU 5 1.458 11.617 -5.237 39 1HG GLU 5 2HG GLU 5 0.300 9.489 -5.425 40 2HG GLU 5 1HG GLU 5 -0.527 9.786 -3.901 41 H VAL 6 H VAL 6 1.377 11.651 -1.409 42 HA VAL 6 HA VAL 6 1.045 9.318 0.208 43 HB VAL 6 HB VAL 6 0.034 10.884 1.879 44 1HG1 VAL 6 1HG1 VAL 6 2.695 11.672 0.698 45 2HG1 VAL 6 2HG1 VAL 6 2.409 10.415 1.904 46 3HG1 VAL 6 3HG1 VAL 6 2.130 12.110 2.311 47 1HG2 VAL 6 1HG2 VAL 6 0.681 12.979 -0.200 48 2HG2 VAL 6 2HG2 VAL 6 0.162 13.293 1.457 49 3HG2 VAL 6 3HG2 VAL 6 -0.936 12.505 0.322 50 HN2 GLY 7 H GLY 7 -0.668 8.054 0.387 51 1HA GLY 7 2HA GLY 7 -3.001 7.668 0.642 52 2HA GLY 7 1HA GLY 7 -3.315 9.132 -0.274 53 H ARG 8 H ARG 8 -0.995 7.693 -2.022 54 HA ARG 8 HA ARG 8 -2.997 6.388 -3.711 55 1HB ARG 8 2HB ARG 8 -1.376 8.160 -4.610 56 2HB ARG 8 1HB ARG 8 -0.139 6.915 -4.493 57 1HG ARG 8 2HG ARG 8 -1.214 5.555 -6.090 58 2HG ARG 8 1HG ARG 8 -2.696 6.508 -6.012 59 1HD ARG 8 2HD ARG 8 -1.338 8.454 -6.887 60 2HD ARG 8 1HD ARG 8 -0.045 7.295 -7.200 61 HE ARG 8 HE ARG 8 -1.629 6.143 -8.699 62 1HH1 ARG 8 1HH1 ARG 8 -2.170 9.517 -7.882 63 2HH1 ARG 8 2HH1 ARG 8 -3.150 9.819 -9.297 64 1HH2 ARG 8 1HH2 ARG 8 -2.897 6.542 -10.540 65 2HH2 ARG 8 2HH2 ARG 8 -3.567 8.125 -10.807 66 H ILE 9 H ILE 9 -3.279 4.318 -3.384 67 HA ILE 9 HA ILE 9 -1.416 2.687 -1.994 68 HB ILE 9 HB ILE 9 -3.866 1.889 -3.591 69 1HG1 ILE 9 2HG1 ILE 9 -4.741 1.441 -1.202 70 2HG1 ILE 9 1HG1 ILE 9 -3.407 2.451 -0.661 71 1HG2 ILE 9 1HG2 ILE 9 -3.716 -0.265 -2.445 72 2HG2 ILE 9 2HG2 ILE 9 -2.209 0.246 -1.681 73 3HG2 ILE 9 3HG2 ILE 9 -2.285 0.043 -3.433 74 1HD1 ILE 9 1HD1 ILE 9 -5.523 3.674 -0.825 75 2HD1 ILE 9 2HD1 ILE 9 -5.581 3.323 -2.552 76 3HD1 ILE 9 3HD1 ILE 9 -4.287 4.327 -1.899 77 H CYS 10 H CYS 10 0.436 2.078 -2.855 78 HA CYS 10 HA CYS 10 0.545 1.570 -5.745 79 1HB CYS 10 2HB CYS 10 2.827 1.997 -3.807 80 2HB CYS 10 1HB CYS 10 2.946 1.903 -5.559 81 HG CYS 10 HG CYS 10 1.151 4.351 -3.985 82 H VAL 11 H VAL 11 1.316 -0.377 -6.511 83 HA VAL 11 HA VAL 11 2.041 -2.449 -4.626 84 HB VAL 11 HB VAL 11 -0.359 -2.647 -4.528 85 1HG1 VAL 11 1HG1 VAL 11 -0.970 -1.506 -6.575 86 2HG1 VAL 11 2HG1 VAL 11 -1.728 -3.098 -6.516 87 3HG1 VAL 11 3HG1 VAL 11 -0.314 -2.833 -7.534 88 1HG2 VAL 11 1HG2 VAL 11 0.882 -4.730 -4.522 89 2HG2 VAL 11 2HG2 VAL 11 0.799 -4.804 -6.282 90 3HG2 VAL 11 3HG2 VAL 11 -0.676 -4.939 -5.322 91 H LYS 12 H LYS 12 3.326 -3.893 -5.479 92 HA LYS 12 HA LYS 12 4.814 -4.847 -6.817 93 1HB LYS 12 2HB LYS 12 3.929 -6.009 -8.754 94 2HB LYS 12 1HB LYS 12 2.912 -6.187 -7.350 95 1HG LYS 12 2HG LYS 12 1.341 -5.903 -8.974 96 2HG LYS 12 1HG LYS 12 1.553 -4.237 -8.447 97 1HD LYS 12 2HD LYS 12 3.378 -5.026 -10.597 98 2HD LYS 12 1HD LYS 12 1.674 -5.128 -11.044 99 1HE LYS 12 2HE LYS 12 1.437 -2.781 -10.124 100 2HE LYS 12 1HE LYS 12 3.194 -2.731 -10.046 101 1HZ LYS 12 1HZ LYS 12 1.636 -3.235 -12.524 102 2HZ LYS 12 2HZ LYS 12 3.318 -3.039 -12.407 103 3HZ LYS 12 3HZ LYS 12 2.288 -1.732 -12.081 104 H VAL 13 H VAL 13 5.800 -5.007 -9.050 105 HA VAL 13 HA VAL 13 5.876 -2.364 -10.347 106 HB VAL 13 HB VAL 13 8.135 -4.380 -10.231 107 1HG1 VAL 13 1HG1 VAL 13 8.173 -3.039 -12.251 108 2HG1 VAL 13 2HG1 VAL 13 9.490 -2.561 -11.179 109 3HG1 VAL 13 3HG1 VAL 13 8.039 -1.561 -11.299 110 1HG2 VAL 13 1HG2 VAL 13 7.824 -1.778 -8.740 111 2HG2 VAL 13 2HG2 VAL 13 9.275 -2.783 -8.761 112 3HG2 VAL 13 3HG2 VAL 13 7.786 -3.396 -8.038 113 H LYS 14 H LYS 14 7.251 -5.479 -11.282 114 HA LYS 14 HA LYS 14 5.222 -5.681 -13.404 115 1HB LYS 14 2HB LYS 14 8.172 -5.823 -13.583 116 2HB LYS 14 1HB LYS 14 7.297 -7.049 -14.489 117 1HG LYS 14 2HG LYS 14 7.743 -5.188 -15.928 118 2HG LYS 14 1HG LYS 14 6.013 -5.252 -15.605 119 1HD LYS 14 2HD LYS 14 6.504 -3.556 -13.739 120 2HD LYS 14 1HD LYS 14 8.058 -3.330 -14.544 121 1HE LYS 14 2HE LYS 14 6.890 -2.763 -16.622 122 2HE LYS 14 1HE LYS 14 5.343 -2.970 -15.808 123 1HZ LYS 14 1HZ LYS 14 5.794 -0.678 -15.818 124 2HZ LYS 14 2HZ LYS 14 7.394 -0.890 -15.320 125 3HZ LYS 14 3HZ LYS 14 6.123 -1.183 -14.230 126 HN2 GLY 15 H GLY 15 5.456 -6.774 -10.666 127 1HA GLY 15 2HA GLY 15 4.555 -8.735 -9.784 128 2HA GLY 15 1HA GLY 15 4.812 -9.524 -11.334 129 H ARG 16 H ARG 16 5.792 -11.322 -10.497 130 HA ARG 16 HA ARG 16 7.573 -12.646 -10.076 131 1HB ARG 16 2HB ARG 16 8.700 -10.498 -11.323 132 2HB ARG 16 1HB ARG 16 9.582 -10.511 -9.803 133 1HG ARG 16 2HG ARG 16 9.344 -12.835 -11.702 134 2HG ARG 16 1HG ARG 16 10.732 -11.756 -11.570 135 1HD ARG 16 2HD ARG 16 11.035 -12.464 -9.241 136 2HD ARG 16 1HD ARG 16 9.667 -13.564 -9.406 137 HE ARG 16 HE ARG 16 11.617 -14.041 -11.424 138 1HH1 ARG 16 1HH1 ARG 16 10.956 -14.589 -8.026 139 2HH1 ARG 16 2HH1 ARG 16 11.951 -16.016 -7.928 140 1HH2 ARG 16 1HH2 ARG 16 12.909 -15.917 -11.315 141 2HH2 ARG 16 2HH2 ARG 16 13.052 -16.788 -9.816 142 H GLU 17 H GLU 17 8.532 -9.701 -8.307 143 HA GLU 17 HA GLU 17 8.615 -11.352 -5.863 144 1HB GLU 17 2HB GLU 17 10.846 -10.696 -6.877 145 2HB GLU 17 1HB GLU 17 10.443 -9.029 -6.492 146 1HG GLU 17 2HG GLU 17 11.925 -10.097 -4.834 147 2HG GLU 17 1HG GLU 17 10.407 -9.519 -4.145 148 H ALA 18 H ALA 18 6.496 -9.574 -6.971 149 HA ALA 18 HA ALA 18 6.069 -8.033 -4.551 150 1HB ALA 18 1HB ALA 18 6.009 -6.718 -7.266 151 2HB ALA 18 2HB ALA 18 7.232 -6.460 -6.023 152 3HB ALA 18 3HB ALA 18 5.565 -5.963 -5.735 153 HN2 GLY 19 H GLY 19 4.180 -8.789 -3.901 154 1HA GLY 19 2HA GLY 19 1.914 -8.643 -5.780 155 2HA GLY 19 1HA GLY 19 2.155 -10.101 -4.823 156 H SER 20 H SER 20 3.045 -7.129 -3.386 157 HA SER 20 HA SER 20 0.676 -7.293 -1.647 158 1HB SER 20 2HB SER 20 3.433 -6.387 -0.797 159 2HB SER 20 1HB SER 20 2.060 -6.772 0.238 160 HG SER 20 HG SER 20 3.951 -8.396 -0.386 161 H LYS 21 H LYS 21 -0.306 -5.371 -1.059 162 HA LYS 21 HA LYS 21 0.459 -3.042 -2.643 163 1HB LYS 21 2HB LYS 21 -1.937 -3.279 -0.826 164 2HB LYS 21 1HB LYS 21 -1.680 -2.117 -2.116 165 1HG LYS 21 2HG LYS 21 -1.706 -4.128 -3.692 166 2HG LYS 21 1HG LYS 21 -2.379 -5.023 -2.325 167 1HD LYS 21 2HD LYS 21 -4.082 -3.112 -2.164 168 2HD LYS 21 1HD LYS 21 -3.534 -2.665 -3.780 169 1HE LYS 21 2HE LYS 21 -5.473 -4.034 -4.013 170 2HE LYS 21 1HE LYS 21 -4.074 -4.979 -4.525 171 1HZ LYS 21 1HZ LYS 21 -4.111 -6.205 -2.531 172 2HZ LYS 21 2HZ LYS 21 -5.722 -6.142 -3.041 173 3HZ LYS 21 3HZ LYS 21 -5.190 -5.141 -1.789 174 H CYS 22 H CYS 22 1.121 -1.105 -1.757 175 HA CYS 22 HA CYS 22 1.182 -0.931 1.177 176 1HB CYS 22 2HB CYS 22 3.448 -0.026 -0.591 177 2HB CYS 22 1HB CYS 22 3.409 -0.036 1.163 178 HG CYS 22 HG CYS 22 2.869 -3.073 0.576 179 H VAL 23 H VAL 23 0.864 1.084 2.005 180 HA VAL 23 HA VAL 23 -0.038 3.100 0.062 181 HB VAL 23 HB VAL 23 -0.796 2.878 2.982 182 1HG1 VAL 23 1HG1 VAL 23 -0.961 5.146 2.170 183 2HG1 VAL 23 2HG1 VAL 23 -2.580 4.477 2.367 184 3HG1 VAL 23 3HG1 VAL 23 -1.872 4.610 0.757 185 1HG2 VAL 23 1HG2 VAL 23 -2.989 2.096 2.148 186 2HG2 VAL 23 2HG2 VAL 23 -1.682 0.975 1.785 187 3HG2 VAL 23 3HG2 VAL 23 -2.319 2.024 0.520 188 H ILE 24 H ILE 24 1.258 4.786 -0.193 189 HA ILE 24 HA ILE 24 3.335 5.444 1.663 190 HB ILE 24 HB ILE 24 2.286 7.089 -0.651 191 1HG1 ILE 24 2HG1 ILE 24 4.613 5.152 -0.574 192 2HG1 ILE 24 1HG1 ILE 24 3.061 4.834 -1.340 193 1HG2 ILE 24 1HG2 ILE 24 4.445 8.214 -0.567 194 2HG2 ILE 24 2HG2 ILE 24 4.922 7.226 0.813 195 3HG2 ILE 24 3HG2 ILE 24 3.594 8.376 0.969 196 1HD1 ILE 24 1HD1 ILE 24 3.456 6.681 -2.892 197 2HD1 ILE 24 2HD1 ILE 24 4.730 5.464 -2.978 198 3HD1 ILE 24 3HD1 ILE 24 5.017 6.982 -2.128 199 H VAL 25 H VAL 25 2.741 6.213 3.597 200 HA VAL 25 HA VAL 25 0.431 8.014 3.735 201 HB VAL 25 HB VAL 25 0.452 7.561 6.178 202 1HG1 VAL 25 1HG1 VAL 25 -1.000 6.299 4.677 203 2HG1 VAL 25 2HG1 VAL 25 -0.441 5.290 6.012 204 3HG1 VAL 25 3HG1 VAL 25 0.286 5.121 4.412 205 1HG2 VAL 25 1HG2 VAL 25 2.603 5.579 5.448 206 2HG2 VAL 25 2HG2 VAL 25 1.778 5.653 7.007 207 3HG2 VAL 25 3HG2 VAL 25 2.786 7.000 6.475 208 H ASP 26 H ASP 26 3.856 7.962 4.109 209 HA ASP 26 HA ASP 26 3.796 10.783 4.812 210 1HB ASP 26 2HB ASP 26 3.993 9.141 6.904 211 2HB ASP 26 1HB ASP 26 5.683 9.105 6.410 212 H ILE 27 H ILE 27 6.017 11.732 4.665 213 HA ILE 27 HA ILE 27 7.558 10.356 2.560 214 HB ILE 27 HB ILE 27 6.981 13.318 2.752 215 1HG1 ILE 27 2HG1 ILE 27 5.048 11.999 1.968 216 2HG1 ILE 27 1HG1 ILE 27 5.696 13.029 0.698 217 1HG2 ILE 27 1HG2 ILE 27 9.202 12.942 1.884 218 2HG2 ILE 27 2HG2 ILE 27 8.140 13.465 0.577 219 3HG2 ILE 27 3HG2 ILE 27 8.585 11.764 0.726 220 1HD1 ILE 27 1HD1 ILE 27 5.086 10.832 -0.142 221 2HD1 ILE 27 2HD1 ILE 27 6.203 10.080 0.996 222 3HD1 ILE 27 3HD1 ILE 27 6.820 11.114 -0.292 223 H ILE 28 H ILE 28 9.468 9.818 3.401 224 HA ILE 28 HA ILE 28 10.627 11.426 5.539 225 HB ILE 28 HB ILE 28 11.722 8.883 4.324 226 1HG1 ILE 28 2HG1 ILE 28 9.494 8.461 5.263 227 2HG1 ILE 28 1HG1 ILE 28 10.738 7.714 6.264 228 1HG2 ILE 28 1HG2 ILE 28 12.978 8.737 6.438 229 2HG2 ILE 28 2HG2 ILE 28 12.320 10.303 6.917 230 3HG2 ILE 28 3HG2 ILE 28 13.382 10.184 5.516 231 1HD1 ILE 28 1HD1 ILE 28 9.334 10.317 6.842 232 2HD1 ILE 28 2HD1 ILE 28 10.559 9.550 7.855 233 3HD1 ILE 28 3HD1 ILE 28 9.000 8.763 7.608 234 H ASP 29 H ASP 29 11.662 10.076 2.421 235 HA ASP 29 HA ASP 29 13.292 12.492 1.987 236 1HB ASP 29 2HB ASP 29 14.011 9.646 1.238 237 2HB ASP 29 1HB ASP 29 14.904 11.069 0.724 238 H ASP 30 H ASP 30 13.953 12.354 -0.557 239 HA ASP 30 HA ASP 30 11.434 12.237 -1.991 240 1HB ASP 30 2HB ASP 30 14.222 12.996 -2.903 241 2HB ASP 30 1HB ASP 30 12.776 13.106 -3.899 242 H ASN 31 H ASN 31 13.733 10.099 -1.119 243 HA ASN 31 HA ASN 31 13.175 8.326 -3.401 244 1HB ASN 31 2HB ASN 31 15.551 8.801 -3.303 245 2HB ASN 31 1HB ASN 31 15.595 8.423 -1.584 246 1HD2 ASN 31 1HD2 ASN 31 17.109 6.842 -1.768 247 2HD2 ASN 31 2HD2 ASN 31 16.777 5.299 -2.498 248 H PHE 32 H PHE 32 13.860 8.393 0.088 249 HA PHE 32 HA PHE 32 12.563 5.820 0.445 250 1HB PHE 32 2HB PHE 32 13.928 7.688 2.389 251 2HB PHE 32 1HB PHE 32 13.183 6.163 2.856 252 HD1 PHE 32 HD2 PHE 32 14.087 4.028 1.884 253 HD2 PHE 32 HD1 PHE 32 16.100 7.757 1.504 254 HE1 PHE 32 HE2 PHE 32 16.182 2.841 1.369 255 HE2 PHE 32 HE1 PHE 32 18.197 6.579 0.990 256 HZ PHE 32 HZ PHE 32 18.240 4.117 0.922 257 H VAL 33 H VAL 33 10.414 5.892 0.360 258 HA VAL 33 HA VAL 33 9.018 8.032 1.810 259 HB VAL 33 HB VAL 33 6.966 7.219 0.665 260 1HG1 VAL 33 1HG1 VAL 33 7.550 8.071 -1.562 261 2HG1 VAL 33 2HG1 VAL 33 9.262 7.935 -1.156 262 3HG1 VAL 33 3HG1 VAL 33 8.233 9.065 -0.274 263 1HG2 VAL 33 1HG2 VAL 33 7.191 5.669 -1.232 264 2HG2 VAL 33 2HG2 VAL 33 7.615 4.902 0.298 265 3HG2 VAL 33 3HG2 VAL 33 8.883 5.415 -0.812 266 H LEU 34 H LEU 34 7.159 7.404 3.168 267 HA LEU 34 HA LEU 34 7.811 4.945 4.617 268 1HB LEU 34 2HB LEU 34 7.421 7.312 5.672 269 2HB LEU 34 1HB LEU 34 5.724 6.928 5.475 270 HG LEU 34 HG LEU 34 7.661 5.226 7.050 271 1HD1 LEU 34 1HD1 LEU 34 6.650 6.205 9.037 272 2HD1 LEU 34 2HD1 LEU 34 5.675 7.272 8.025 273 3HD1 LEU 34 3HD1 LEU 34 7.431 7.441 8.050 274 1HD2 LEU 34 1HD2 LEU 34 4.646 5.234 6.889 275 2HD2 LEU 34 2HD2 LEU 34 5.608 4.256 7.998 276 3HD2 LEU 34 3HD2 LEU 34 5.727 3.988 6.257 277 H VAL 35 H VAL 35 6.787 3.189 4.026 278 HA VAL 35 HA VAL 35 4.054 3.440 2.969 279 HB VAL 35 HB VAL 35 4.446 1.302 1.783 280 1HG1 VAL 35 1HG1 VAL 35 4.735 3.405 0.603 281 2HG1 VAL 35 2HG1 VAL 35 5.905 2.214 0.031 282 3HG1 VAL 35 3HG1 VAL 35 6.415 3.492 1.135 283 1HG2 VAL 35 1HG2 VAL 35 6.202 0.389 3.211 284 2HG2 VAL 35 2HG2 VAL 35 7.304 1.658 2.680 285 3HG2 VAL 35 3HG2 VAL 35 6.727 0.454 1.530 286 H THR 36 H THR 36 2.500 2.013 3.666 287 HA THR 36 HA THR 36 3.204 -0.034 5.595 288 HB THR 36 HB THR 36 2.886 1.909 7.039 289 HG1 THR 36 HG1 THR 36 0.461 0.696 7.533 290 1HG2 THR 36 1HG2 THR 36 0.721 3.066 7.149 291 2HG2 THR 36 2HG2 THR 36 0.161 2.133 5.762 292 3HG2 THR 36 3HG2 THR 36 1.493 3.272 5.577 293 HN2 GLY 37 H GLY 37 1.555 -1.574 5.898 294 1HA GLY 37 2HA GLY 37 -0.741 -1.307 4.058 295 2HA GLY 37 1HA GLY 37 0.078 -2.839 4.348 296 HA PRO 38 HA PRO 38 -3.442 -1.366 7.572 297 1HB PRO 38 2HB PRO 38 -4.923 -3.299 5.825 298 2HB PRO 38 1HB PRO 38 -5.540 -1.922 6.744 299 1HG PRO 38 2HG PRO 38 -5.161 -1.732 4.119 300 2HG PRO 38 1HG PRO 38 -4.776 -0.375 5.195 301 1HD PRO 38 2HD PRO 38 -2.952 -2.239 3.775 302 2HD PRO 38 1HD PRO 38 -2.692 -0.553 4.261 303 H LYS 39 H LYS 39 -3.181 -2.501 9.373 304 HA LYS 39 HA LYS 39 -1.473 -4.623 9.595 305 1HB LYS 39 2HB LYS 39 -2.522 -4.985 11.882 306 2HB LYS 39 1HB LYS 39 -1.915 -3.375 11.533 307 1HG LYS 39 2HG LYS 39 -4.103 -2.519 11.217 308 2HG LYS 39 1HG LYS 39 -4.805 -4.137 11.216 309 1HD LYS 39 2HD LYS 39 -5.187 -2.961 13.341 310 2HD LYS 39 1HD LYS 39 -4.222 -4.424 13.554 311 1HE LYS 39 2HE LYS 39 -2.179 -3.010 13.535 312 2HE LYS 39 1HE LYS 39 -3.214 -1.584 13.464 313 1HZ LYS 39 1HZ LYS 39 -2.393 -2.274 15.730 314 2HZ LYS 39 2HZ LYS 39 -3.454 -3.594 15.621 315 3HZ LYS 39 3HZ LYS 39 -4.064 -2.012 15.586 316 H ASP 40 H ASP 40 -5.021 -4.880 9.595 317 HA ASP 40 HA ASP 40 -4.821 -7.786 9.712 318 1HB ASP 40 2HB ASP 40 -7.291 -7.663 9.973 319 2HB ASP 40 1HB ASP 40 -6.425 -6.719 11.183 320 H ILE 41 H ILE 41 -5.633 -5.247 7.474 321 HA ILE 41 HA ILE 41 -7.066 -6.960 5.669 322 HB ILE 41 HB ILE 41 -6.091 -4.120 5.327 323 1HG1 ILE 41 2HG1 ILE 41 -8.824 -5.230 5.993 324 2HG1 ILE 41 1HG1 ILE 41 -7.745 -4.418 7.121 325 1HG2 ILE 41 1HG2 ILE 41 -7.990 -5.724 3.627 326 2HG2 ILE 41 2HG2 ILE 41 -6.389 -5.156 3.159 327 3HG2 ILE 41 3HG2 ILE 41 -7.684 -3.997 3.459 328 1HD1 ILE 41 1HD1 ILE 41 -9.525 -2.948 6.357 329 2HD1 ILE 41 2HD1 ILE 41 -9.004 -3.175 4.686 330 3HD1 ILE 41 3HD1 ILE 41 -7.945 -2.360 5.839 331 H THR 42 H THR 42 -3.817 -5.537 5.782 332 HA THR 42 HA THR 42 -3.147 -7.151 3.407 333 HB THR 42 HB THR 42 -1.812 -4.524 4.025 334 HG1 THR 42 HG1 THR 42 -4.291 -5.048 2.815 335 1HG2 THR 42 1HG2 THR 42 -1.283 -4.589 1.628 336 2HG2 THR 42 2HG2 THR 42 -2.142 -6.120 1.477 337 3HG2 THR 42 3HG2 THR 42 -0.673 -6.027 2.451 338 HN2 GLY 43 H GLY 43 -1.825 -5.573 6.312 339 1HA GLY 43 2HA GLY 43 -0.261 -6.328 7.815 340 2HA GLY 43 1HA GLY 43 -0.326 -7.892 7.015 341 H VAL 44 H VAL 44 0.839 -4.593 6.263 342 HA VAL 44 HA VAL 44 3.271 -5.829 5.151 343 HB VAL 44 HB VAL 44 2.071 -3.128 4.505 344 1HG1 VAL 44 1HG1 VAL 44 4.495 -3.058 4.414 345 2HG1 VAL 44 2HG1 VAL 44 3.813 -2.986 2.790 346 3HG1 VAL 44 3HG1 VAL 44 4.515 -4.490 3.384 347 1HG2 VAL 44 1HG2 VAL 44 0.806 -4.958 3.544 348 2HG2 VAL 44 2HG2 VAL 44 2.280 -5.648 2.866 349 3HG2 VAL 44 3HG2 VAL 44 1.685 -4.092 2.285 350 H LYS 45 H LYS 45 5.141 -5.441 6.115 351 HA LYS 45 HA LYS 45 5.290 -4.074 8.592 352 1HB LYS 45 2HB LYS 45 6.684 -6.040 7.877 353 2HB LYS 45 1HB LYS 45 7.574 -4.960 6.816 354 1HG LYS 45 2HG LYS 45 8.374 -3.696 8.713 355 2HG LYS 45 1HG LYS 45 7.393 -4.676 9.808 356 1HD LYS 45 2HD LYS 45 8.648 -6.675 9.104 357 2HD LYS 45 1HD LYS 45 9.659 -5.660 8.076 358 1HE LYS 45 2HE LYS 45 10.474 -4.463 10.021 359 2HE LYS 45 1HE LYS 45 9.399 -5.389 11.067 360 1HZ LYS 45 1HZ LYS 45 10.587 -7.393 10.497 361 2HZ LYS 45 2HZ LYS 45 11.681 -6.243 11.086 362 3HZ LYS 45 3HZ LYS 45 11.588 -6.547 9.424 363 H ARG 46 H ARG 46 6.300 -2.122 9.122 364 HA ARG 46 HA ARG 46 6.252 -0.217 6.895 365 1HB ARG 46 2HB ARG 46 6.184 0.381 9.859 366 2HB ARG 46 1HB ARG 46 5.902 1.521 8.552 367 1HG ARG 46 2HG ARG 46 3.770 1.050 9.300 368 2HG ARG 46 1HG ARG 46 3.944 -0.041 7.923 369 1HD ARG 46 2HD ARG 46 4.692 -1.794 9.584 370 2HD ARG 46 1HD ARG 46 4.159 -0.693 10.851 371 HE ARG 46 HE ARG 46 2.005 -0.947 9.177 372 1HH1 ARG 46 1HH1 ARG 46 4.041 -3.121 11.019 373 2HH1 ARG 46 2HH1 ARG 46 2.795 -4.313 11.251 374 1HH2 ARG 46 1HH2 ARG 46 0.340 -2.506 9.497 375 2HH2 ARG 46 2HH2 ARG 46 0.679 -3.952 10.406 376 H ARG 47 H ARG 47 7.981 0.888 6.263 377 HA ARG 47 HA ARG 47 10.153 1.586 7.940 378 1HB ARG 47 2HB ARG 47 10.549 -0.913 7.458 379 2HB ARG 47 1HB ARG 47 10.880 -0.421 5.802 380 1HG ARG 47 2HG ARG 47 12.729 0.937 6.521 381 2HG ARG 47 1HG ARG 47 12.349 0.616 8.214 382 1HD ARG 47 2HD ARG 47 14.217 -0.748 7.484 383 2HD ARG 47 1HD ARG 47 12.825 -1.756 7.871 384 HE ARG 47 HE ARG 47 12.447 -1.727 5.351 385 1HH1 ARG 47 1HH1 ARG 47 15.620 -1.446 6.803 386 2HH1 ARG 47 2HH1 ARG 47 16.429 -2.268 5.502 387 1HH2 ARG 47 1HH2 ARG 47 13.502 -2.793 3.633 388 2HH2 ARG 47 2HH2 ARG 47 15.227 -3.007 3.692 389 H ARG 48 H ARG 48 11.947 2.621 6.528 390 HA ARG 48 HA ARG 48 10.662 4.263 4.531 391 1HB ARG 48 2HB ARG 48 13.616 4.187 5.166 392 2HB ARG 48 1HB ARG 48 12.695 5.516 4.478 393 1HG ARG 48 2HG ARG 48 11.579 5.897 6.576 394 2HG ARG 48 1HG ARG 48 12.341 4.472 7.283 395 1HD ARG 48 2HD ARG 48 14.561 5.615 6.734 396 2HD ARG 48 1HD ARG 48 13.607 7.075 6.487 397 HE ARG 48 HE ARG 48 12.933 5.951 8.979 398 1HH1 ARG 48 1HH1 ARG 48 15.557 7.670 7.402 399 2HH1 ARG 48 2HH1 ARG 48 16.239 8.242 8.895 400 1HH2 ARG 48 1HH2 ARG 48 13.841 6.733 10.944 401 2HH2 ARG 48 2HH2 ARG 48 15.272 7.722 10.883 402 H VAL 49 H VAL 49 10.307 3.379 2.580 403 HA VAL 49 HA VAL 49 12.314 1.480 1.554 404 HB VAL 49 HB VAL 49 9.358 1.607 0.910 405 1HG1 VAL 49 1HG1 VAL 49 10.716 0.750 -0.947 406 2HG1 VAL 49 2HG1 VAL 49 9.699 -0.507 -0.243 407 3HG1 VAL 49 3HG1 VAL 49 11.423 -0.454 0.134 408 1HG2 VAL 49 1HG2 VAL 49 9.755 0.841 3.191 409 2HG2 VAL 49 2HG2 VAL 49 10.897 -0.366 2.599 410 3HG2 VAL 49 3HG2 VAL 49 9.188 -0.482 2.175 411 H ASN 50 H ASN 50 12.994 1.632 -0.544 412 HA ASN 50 HA ASN 50 13.068 4.178 -1.750 413 1HB ASN 50 2HB ASN 50 13.721 1.446 -2.874 414 2HB ASN 50 1HB ASN 50 14.052 2.957 -3.712 415 1HD2 ASN 50 1HD2 ASN 50 14.915 0.910 -1.041 416 2HD2 ASN 50 2HD2 ASN 50 16.435 1.672 -0.703 417 H ILE 51 H ILE 51 12.047 4.997 -3.550 418 HA ILE 51 HA ILE 51 9.388 4.116 -4.063 419 HB ILE 51 HB ILE 51 9.407 5.918 -5.792 420 1HG1 ILE 51 2HG1 ILE 51 12.215 6.386 -4.780 421 2HG1 ILE 51 1HG1 ILE 51 11.804 5.761 -6.372 422 1HG2 ILE 51 1HG2 ILE 51 8.702 6.369 -3.521 423 2HG2 ILE 51 2HG2 ILE 51 9.571 7.759 -4.177 424 3HG2 ILE 51 3HG2 ILE 51 10.372 6.670 -3.043 425 1HD1 ILE 51 1HD1 ILE 51 10.671 7.863 -6.894 426 2HD1 ILE 51 2HD1 ILE 51 12.368 8.110 -6.484 427 3HD1 ILE 51 3HD1 ILE 51 11.114 8.486 -5.304 428 H LEU 52 H LEU 52 11.837 2.421 -4.885 429 HA LEU 52 HA LEU 52 11.092 2.023 -7.705 430 1HB LEU 52 2HB LEU 52 13.454 2.693 -7.243 431 2HB LEU 52 1HB LEU 52 13.651 1.222 -6.314 432 HG LEU 52 HG LEU 52 13.222 -0.106 -8.355 433 1HD1 LEU 52 1HD1 LEU 52 11.849 1.552 -9.541 434 2HD1 LEU 52 2HD1 LEU 52 13.190 0.974 -10.527 435 3HD1 LEU 52 3HD1 LEU 52 13.279 2.558 -9.764 436 1HD2 LEU 52 1HD2 LEU 52 15.361 0.399 -9.452 437 2HD2 LEU 52 2HD2 LEU 52 15.506 0.395 -7.696 438 3HD2 LEU 52 3HD2 LEU 52 15.441 1.925 -8.569 439 H HIS 53 H HIS 53 10.327 0.888 -4.814 440 HA HIS 53 HA HIS 53 10.675 -1.958 -5.367 441 1HB HIS 53 2HB HIS 53 11.094 -0.946 -3.079 442 2HB HIS 53 1HB HIS 53 9.355 -0.706 -2.955 443 HD1 HIS 53 HD1 HIS 53 11.966 -3.403 -3.045 444 HD2 HIS 53 HD2 HIS 53 7.886 -2.985 -2.335 445 HE1 HIS 53 HE1 HIS 53 11.204 -5.617 -2.117 446 HE2 HIS 53 HE2 HIS 53 8.768 -5.292 -1.546 447 H LEU 54 H LEU 54 8.366 0.482 -5.778 448 HA LEU 54 HA LEU 54 6.417 -1.404 -6.739 449 1HB LEU 54 2HB LEU 54 4.606 -0.147 -5.358 450 2HB LEU 54 1HB LEU 54 5.507 -1.458 -4.625 451 HG LEU 54 HG LEU 54 7.009 0.286 -3.577 452 1HD1 LEU 54 1HD1 LEU 54 4.831 2.164 -4.490 453 2HD1 LEU 54 2HD1 LEU 54 6.499 2.156 -5.060 454 3HD1 LEU 54 3HD1 LEU 54 6.143 2.559 -3.382 455 1HD2 LEU 54 1HD2 LEU 54 5.417 0.816 -1.809 456 2HD2 LEU 54 2HD2 LEU 54 5.259 -0.859 -2.336 457 3HD2 LEU 54 3HD2 LEU 54 4.084 0.344 -2.863 458 H GLU 55 H GLU 55 4.669 -0.332 -7.933 459 HA GLU 55 HA GLU 55 5.490 2.339 -8.852 460 1HB GLU 55 2HB GLU 55 4.145 0.122 -10.407 461 2HB GLU 55 1HB GLU 55 4.461 1.733 -11.030 462 1HG GLU 55 2HG GLU 55 6.894 1.317 -10.611 463 2HG GLU 55 1HG GLU 55 6.472 -0.354 -10.246 464 HA PRO 56 HA PRO 56 1.569 3.895 -7.567 465 1HB PRO 56 2HB PRO 56 1.567 5.668 -9.910 466 2HB PRO 56 1HB PRO 56 1.657 6.081 -8.197 467 1HG PRO 56 2HG PRO 56 3.766 6.355 -9.847 468 2HG PRO 56 1HG PRO 56 3.949 5.914 -8.140 469 1HD PRO 56 2HD PRO 56 4.078 4.174 -10.574 470 2HD PRO 56 1HD PRO 56 5.075 4.133 -9.103 471 H THR 57 H THR 57 -0.537 3.456 -7.927 472 HA THR 57 HA THR 57 -1.147 1.906 -10.310 473 HB THR 57 HB THR 57 -3.223 1.298 -9.087 474 HG1 THR 57 HG1 THR 57 -2.459 2.142 -6.639 475 1HG2 THR 57 1HG2 THR 57 -0.669 0.907 -7.524 476 2HG2 THR 57 2HG2 THR 57 -1.210 -0.083 -8.878 477 3HG2 THR 57 3HG2 THR 57 -2.128 -0.069 -7.373 478 H ASP 58 H ASP 58 -3.766 2.131 -10.598 479 HA ASP 58 HA ASP 58 -4.025 4.564 -12.072 480 1HB ASP 58 2HB ASP 58 -4.898 2.587 -13.057 481 2HB ASP 58 1HB ASP 58 -5.810 2.181 -11.610 482 H LYS 59 H LYS 59 -4.925 3.591 -8.893 483 HA LYS 59 HA LYS 59 -6.845 5.817 -8.756 484 1HB LYS 59 2HB LYS 59 -7.147 3.205 -7.275 485 2HB LYS 59 1HB LYS 59 -8.311 4.519 -7.370 486 1HG LYS 59 2HG LYS 59 -8.507 4.106 -9.802 487 2HG LYS 59 1HG LYS 59 -7.432 2.723 -9.616 488 1HD LYS 59 2HD LYS 59 -9.065 1.781 -7.975 489 2HD LYS 59 1HD LYS 59 -10.165 3.092 -8.405 490 1HE LYS 59 2HE LYS 59 -9.093 0.928 -10.203 491 2HE LYS 59 1HE LYS 59 -10.760 1.158 -9.685 492 1HZ LYS 59 1HZ LYS 59 -10.591 1.970 -11.880 493 2HZ LYS 59 2HZ LYS 59 -9.188 2.870 -11.537 494 3HZ LYS 59 3HZ LYS 59 -10.684 3.338 -10.884 495 H LYS 60 H LYS 60 -7.033 6.885 -6.772 496 HA LYS 60 HA LYS 60 -5.084 6.246 -4.692 497 1HB LYS 60 2HB LYS 60 -4.583 8.689 -4.507 498 2HB LYS 60 1HB LYS 60 -3.977 7.953 -5.981 499 1HG LYS 60 2HG LYS 60 -5.664 8.953 -7.282 500 2HG LYS 60 1HG LYS 60 -6.598 9.411 -5.861 501 1HD LYS 60 2HD LYS 60 -3.841 10.490 -6.414 502 2HD LYS 60 1HD LYS 60 -5.308 11.269 -7.009 503 1HE LYS 60 2HE LYS 60 -6.124 11.472 -4.697 504 2HE LYS 60 1HE LYS 60 -4.643 10.716 -4.117 505 1HZ LYS 60 1HZ LYS 60 -3.368 12.557 -4.917 506 2HZ LYS 60 2HZ LYS 60 -4.638 13.171 -3.966 507 3HZ LYS 60 3HZ LYS 60 -4.725 13.257 -5.656 508 H ILE 61 H ILE 61 -5.698 6.984 -2.614 509 HA ILE 61 HA ILE 61 -8.387 8.166 -2.451 510 HB ILE 61 HB ILE 61 -8.396 7.504 -0.058 511 1HG1 ILE 61 2HG1 ILE 61 -5.910 5.920 -0.744 512 2HG1 ILE 61 1HG1 ILE 61 -5.935 7.368 0.257 513 1HG2 ILE 61 1HG2 ILE 61 -8.754 5.094 -0.456 514 2HG2 ILE 61 2HG2 ILE 61 -8.004 5.268 -2.043 515 3HG2 ILE 61 3HG2 ILE 61 -9.508 6.112 -1.682 516 1HD1 ILE 61 1HD1 ILE 61 -5.821 5.374 1.621 517 2HD1 ILE 61 2HD1 ILE 61 -7.297 4.757 0.879 518 3HD1 ILE 61 3HD1 ILE 61 -7.353 6.211 1.878 519 H ASP 62 H ASP 62 -8.378 10.290 -2.167 520 HA ASP 62 HA ASP 62 -5.896 11.628 -1.824 521 1HB ASP 62 2HB ASP 62 -7.788 12.434 -3.274 522 2HB ASP 62 1HB ASP 62 -8.634 12.895 -1.799 523 H ILE 63 H ILE 63 -4.997 11.408 0.101 524 HA ILE 63 HA ILE 63 -6.446 12.491 2.423 525 HB ILE 63 HB ILE 63 -5.099 11.038 3.872 526 1HG1 ILE 63 2HG1 ILE 63 -4.104 9.789 1.298 527 2HG1 ILE 63 1HG1 ILE 63 -3.145 10.795 2.381 528 1HG2 ILE 63 1HG2 ILE 63 -6.174 8.896 3.330 529 2HG2 ILE 63 2HG2 ILE 63 -6.619 9.540 1.748 530 3HG2 ILE 63 3HG2 ILE 63 -7.287 10.261 3.214 531 1HD1 ILE 63 1HD1 ILE 63 -4.329 8.103 3.018 532 2HD1 ILE 63 2HD1 ILE 63 -3.442 9.121 4.155 533 3HD1 ILE 63 3HD1 ILE 63 -2.627 8.473 2.732 534 H GLN 64 H GLN 64 -4.443 12.768 4.187 535 HA GLN 64 HA GLN 64 -2.540 14.547 2.817 536 1HB GLN 64 2HB GLN 64 -3.680 14.656 5.608 537 2HB GLN 64 1HB GLN 64 -2.356 15.672 5.055 538 1HG GLN 64 2HG GLN 64 -3.812 16.613 3.326 539 2HG GLN 64 1HG GLN 64 -5.141 15.617 3.920 540 1HE2 GLN 64 1HE2 GLN 64 -4.849 18.530 3.741 541 2HE2 GLN 64 2HE2 GLN 64 -5.089 19.128 5.356 542 H LYS 65 H LYS 65 -0.461 14.839 4.106 543 HA LYS 65 HA LYS 65 0.757 12.267 4.399 544 1HB LYS 65 2HB LYS 65 1.944 14.234 3.467 545 2HB LYS 65 1HB LYS 65 1.854 15.013 5.037 546 1HG LYS 65 2HG LYS 65 3.260 13.300 6.006 547 2HG LYS 65 1HG LYS 65 3.295 12.432 4.470 548 1HD LYS 65 2HD LYS 65 5.332 13.661 4.654 549 2HD LYS 65 1HD LYS 65 4.333 14.459 3.439 550 1HE LYS 65 2HE LYS 65 5.268 16.177 4.779 551 2HE LYS 65 1HE LYS 65 3.576 16.031 5.253 552 1HZ LYS 65 1HZ LYS 65 5.052 16.241 7.166 553 2HZ LYS 65 2HZ LYS 65 5.870 14.826 6.709 554 3HZ LYS 65 3HZ LYS 65 4.241 14.748 7.179 555 HN2 GLY 66 H GLY 66 0.990 11.086 6.182 556 1HA GLY 66 2HA GLY 66 1.548 10.876 8.501 557 2HA GLY 66 1HA GLY 66 0.786 12.432 8.793 558 H ALA 67 H ALA 67 -0.822 10.136 6.765 559 HA ALA 67 HA ALA 67 -3.010 9.933 8.636 560 1HB ALA 67 1HB ALA 67 -3.426 10.165 6.230 561 2HB ALA 67 2HB ALA 67 -4.146 8.695 6.883 562 3HB ALA 67 3HB ALA 67 -2.651 8.605 5.952 563 H SER 68 H SER 68 -3.703 8.084 9.701 564 HA SER 68 HA SER 68 -1.644 6.018 9.981 565 1HB SER 68 2HB SER 68 -2.810 5.533 12.156 566 2HB SER 68 1HB SER 68 -2.137 7.158 12.046 567 HG SER 68 HG SER 68 -4.372 6.948 12.869 568 H ASP 69 H ASP 69 -2.571 3.840 10.685 569 HA ASP 69 HA ASP 69 -4.004 2.607 8.660 570 1HB ASP 69 2HB ASP 69 -2.602 1.378 10.250 571 2HB ASP 69 1HB ASP 69 -3.704 1.777 11.560 572 H GLU 70 H GLU 70 -5.119 4.196 11.542 573 HA GLU 70 HA GLU 70 -7.710 3.243 11.760 574 1HB GLU 70 2HB GLU 70 -6.732 6.037 12.349 575 2HB GLU 70 1HB GLU 70 -8.085 5.212 13.095 576 1HG GLU 70 2HG GLU 70 -6.680 3.752 14.293 577 2HG GLU 70 1HG GLU 70 -5.277 4.200 13.322 578 H GLU 71 H GLU 71 -6.520 6.150 10.076 579 HA GLU 71 HA GLU 71 -9.101 6.858 9.102 580 1HB GLU 71 2HB GLU 71 -7.229 8.488 9.451 581 2HB GLU 71 1HB GLU 71 -6.427 7.791 8.046 582 1HG GLU 71 2HG GLU 71 -8.333 8.419 6.650 583 2HG GLU 71 1HG GLU 71 -9.125 9.132 8.052 584 H VAL 72 H VAL 72 -6.384 5.039 7.829 585 HA VAL 72 HA VAL 72 -7.191 4.833 5.161 586 HB VAL 72 HB VAL 72 -5.732 2.781 6.843 587 1HG1 VAL 72 1HG1 VAL 72 -5.941 3.026 3.840 588 2HG1 VAL 72 2HG1 VAL 72 -6.670 1.760 4.829 589 3HG1 VAL 72 3HG1 VAL 72 -4.914 1.884 4.709 590 1HG2 VAL 72 1HG2 VAL 72 -3.707 3.723 5.833 591 2HG2 VAL 72 2HG2 VAL 72 -4.594 4.948 6.745 592 3HG2 VAL 72 3HG2 VAL 72 -4.688 4.919 4.984 593 H LYS 73 H LYS 73 -8.103 2.929 8.007 594 HA LYS 73 HA LYS 73 -9.680 1.021 6.654 595 1HB LYS 73 2HB LYS 73 -9.312 1.903 9.449 596 2HB LYS 73 1HB LYS 73 -10.861 1.156 9.091 597 1HG LYS 73 2HG LYS 73 -9.183 -0.434 9.933 598 2HG LYS 73 1HG LYS 73 -9.790 -0.849 8.330 599 1HD LYS 73 2HD LYS 73 -7.789 0.048 7.305 600 2HD LYS 73 1HD LYS 73 -7.195 0.592 8.876 601 1HE LYS 73 2HE LYS 73 -7.729 -2.273 8.107 602 2HE LYS 73 1HE LYS 73 -6.142 -1.507 8.147 603 1HZ LYS 73 1HZ LYS 73 -6.276 -1.231 10.472 604 2HZ LYS 73 2HZ LYS 73 -6.750 -2.844 10.154 605 3HZ LYS 73 3HZ LYS 73 -7.914 -1.670 10.507 606 H LYS 74 H LYS 74 -10.381 4.251 7.817 607 HA LYS 74 HA LYS 74 -13.222 3.946 7.533 608 1HB LYS 74 2HB LYS 74 -11.626 5.698 8.911 609 2HB LYS 74 1HB LYS 74 -12.165 6.689 7.563 610 1HG LYS 74 2HG LYS 74 -13.903 5.241 9.552 611 2HG LYS 74 1HG LYS 74 -13.653 6.983 9.427 612 1HD LYS 74 2HD LYS 74 -14.742 7.028 7.271 613 2HD LYS 74 1HD LYS 74 -14.884 5.269 7.270 614 1HE LYS 74 2HE LYS 74 -16.306 5.435 9.298 615 2HE LYS 74 1HE LYS 74 -16.235 7.190 9.162 616 1HZ LYS 74 1HZ LYS 74 -17.312 7.052 7.017 617 2HZ LYS 74 2HZ LYS 74 -18.259 6.264 8.186 618 3HZ LYS 74 3HZ LYS 74 -17.331 5.357 7.095 619 H LYS 75 H LYS 75 -10.623 5.445 5.654 620 HA LYS 75 HA LYS 75 -12.470 6.522 3.728 621 1HB LYS 75 2HB LYS 75 -10.254 7.552 4.387 622 2HB LYS 75 1HB LYS 75 -9.484 6.302 3.420 623 1HG LYS 75 2HG LYS 75 -10.317 7.153 1.426 624 2HG LYS 75 1HG LYS 75 -11.596 8.060 2.239 625 1HD LYS 75 2HD LYS 75 -8.638 8.648 2.344 626 2HD LYS 75 1HD LYS 75 -9.856 9.563 1.452 627 1HE LYS 75 2HE LYS 75 -9.792 9.206 4.450 628 2HE LYS 75 1HE LYS 75 -9.229 10.636 3.586 629 1HZ LYS 75 1HZ LYS 75 -11.485 10.879 4.481 630 2HZ LYS 75 2HZ LYS 75 -12.020 9.596 3.503 631 3HZ LYS 75 3HZ LYS 75 -11.443 11.034 2.792 632 H LEU 76 H LEU 76 -10.611 3.597 4.048 633 HA LEU 76 HA LEU 76 -10.773 2.697 1.374 634 1HB LEU 76 2HB LEU 76 -9.427 1.689 3.283 635 2HB LEU 76 1HB LEU 76 -10.922 0.965 3.842 636 HG LEU 76 HG LEU 76 -11.100 -0.254 1.693 637 1HD1 LEU 76 1HD1 LEU 76 -9.826 1.277 0.292 638 2HD1 LEU 76 2HD1 LEU 76 -9.155 -0.351 0.218 639 3HD1 LEU 76 3HD1 LEU 76 -8.359 0.889 1.185 640 1HD2 LEU 76 1HD2 LEU 76 -9.294 -1.845 2.153 641 2HD2 LEU 76 2HD2 LEU 76 -10.123 -1.339 3.623 642 3HD2 LEU 76 3HD2 LEU 76 -8.544 -0.666 3.226 643 H GLU 77 H GLU 77 -12.940 2.527 4.127 644 HA GLU 77 HA GLU 77 -15.058 1.081 3.012 645 1HB GLU 77 2HB GLU 77 -14.950 1.631 5.375 646 2HB GLU 77 1HB GLU 77 -15.067 3.344 5.017 647 1HG GLU 77 2HG GLU 77 -17.324 2.840 3.999 648 2HG GLU 77 1HG GLU 77 -17.187 1.241 4.732 649 H GLU 78 H GLU 78 -14.491 4.562 3.148 650 HA GLU 78 HA GLU 78 -16.761 5.453 1.815 651 1HB GLU 78 2HB GLU 78 -14.016 6.716 1.724 652 2HB GLU 78 1HB GLU 78 -15.551 7.526 1.455 653 1HG GLU 78 2HG GLU 78 -16.185 7.048 3.781 654 2HG GLU 78 1HG GLU 78 -14.609 6.301 4.034 655 H SER 79 H SER 79 -13.626 4.486 0.532 656 HA SER 79 HA SER 79 -14.286 5.164 -2.171 657 1HB SER 79 2HB SER 79 -12.006 3.475 -1.122 658 2HB SER 79 1HB SER 79 -12.094 4.288 -2.680 659 HG SER 79 HG SER 79 -11.863 5.438 -0.109 660 H ASN 80 H ASN 80 -15.046 2.576 -0.165 661 HA ASN 80 HA ASN 80 -15.877 0.482 -0.449 662 1HB ASN 80 2HB ASN 80 -17.439 1.873 -1.922 663 2HB ASN 80 1HB ASN 80 -16.511 1.282 -3.296 664 1HD2 ASN 80 1HD2 ASN 80 -18.732 0.447 -0.758 665 2HD2 ASN 80 2HD2 ASN 80 -19.187 -1.101 -1.382 666 H LEU 81 H LEU 81 -13.207 0.596 -0.632 667 HA LEU 81 HA LEU 81 -12.510 -1.173 -2.897 668 1HB LEU 81 2HB LEU 81 -11.501 1.149 -2.883 669 2HB LEU 81 1HB LEU 81 -10.647 0.690 -1.424 670 HG LEU 81 HG LEU 81 -9.560 -1.159 -2.729 671 1HD1 LEU 81 1HD1 LEU 81 -11.216 -1.317 -4.518 672 2HD1 LEU 81 2HD1 LEU 81 -9.602 -1.020 -5.159 673 3HD1 LEU 81 3HD1 LEU 81 -10.772 0.297 -5.074 674 1HD2 LEU 81 1HD2 LEU 81 -9.110 1.653 -3.717 675 2HD2 LEU 81 2HD2 LEU 81 -7.970 0.317 -3.850 676 3HD2 LEU 81 3HD2 LEU 81 -8.411 0.943 -2.262 677 H THR 82 H THR 82 -13.385 -1.462 0.043 678 HA THR 82 HA THR 82 -11.332 -2.260 1.699 679 HB THR 82 HB THR 82 -14.090 -3.481 1.740 680 HG1 THR 82 HG1 THR 82 -14.702 -1.585 2.895 681 1HG2 THR 82 1HG2 THR 82 -12.485 -4.359 3.380 682 2HG2 THR 82 2HG2 THR 82 -13.761 -3.431 4.170 683 3HG2 THR 82 3HG2 THR 82 -12.163 -2.718 3.944 684 H GLU 83 H GLU 83 -13.408 -4.380 -0.303 685 HA GLU 83 HA GLU 83 -12.134 -6.777 0.519 686 1HB GLU 83 2HB GLU 83 -14.434 -6.565 -0.483 687 2HB GLU 83 1HB GLU 83 -13.664 -6.323 -2.042 688 1HG GLU 83 2HG GLU 83 -12.587 -8.524 -1.825 689 2HG GLU 83 1HG GLU 83 -13.452 -8.771 -0.308 690 H TYR 84 H TYR 84 -11.775 -4.710 -2.301 691 HA TYR 84 HA TYR 84 -10.022 -6.329 -3.775 692 1HB TYR 84 2HB TYR 84 -11.276 -4.323 -4.626 693 2HB TYR 84 1HB TYR 84 -10.115 -3.306 -3.783 694 HD1 TYR 84 HD1 TYR 84 -10.507 -5.772 -6.507 695 HD2 TYR 84 HD2 TYR 84 -7.983 -2.834 -4.744 696 HE1 TYR 84 HE1 TYR 84 -9.056 -5.839 -8.487 697 HE2 TYR 84 HE2 TYR 84 -6.526 -2.893 -6.725 698 HH TYR 84 HH TYR 84 -7.430 -4.410 -9.634 699 H MET 85 H MET 85 -9.478 -4.075 -1.156 700 HA MET 85 HA MET 85 -6.632 -3.986 -1.462 701 1HB MET 85 2HB MET 85 -7.916 -2.177 -0.362 702 2HB MET 85 1HB MET 85 -8.316 -3.279 0.946 703 1HG MET 85 2HG MET 85 -6.500 -1.792 1.564 704 2HG MET 85 1HG MET 85 -5.964 -3.474 1.521 705 1HE MET 85 1HE MET 85 -2.807 -1.418 0.385 706 2HE MET 85 2HE MET 85 -3.458 -2.525 1.594 707 3HE MET 85 3HE MET 85 -4.034 -0.859 1.522 708 H LYS 86 H LYS 86 -8.896 -5.894 0.413 709 HA LYS 86 HA LYS 86 -7.084 -7.128 2.174 710 1HB LYS 86 2HB LYS 86 -9.560 -7.164 2.420 711 2HB LYS 86 1HB LYS 86 -9.655 -8.257 1.048 712 1HG LYS 86 2HG LYS 86 -9.838 -9.629 2.928 713 2HG LYS 86 1HG LYS 86 -8.168 -9.825 2.392 714 1HD LYS 86 2HD LYS 86 -7.490 -8.125 4.078 715 2HD LYS 86 1HD LYS 86 -9.154 -8.099 4.661 716 1HE LYS 86 2HE LYS 86 -7.251 -10.436 4.685 717 2HE LYS 86 1HE LYS 86 -7.854 -9.542 6.078 718 1HZ LYS 86 1HZ LYS 86 -10.122 -10.307 5.431 719 2HZ LYS 86 2HZ LYS 86 -9.078 -11.555 5.913 720 3HZ LYS 86 3HZ LYS 86 -9.401 -11.312 4.267 721 H GLU 87 H GLU 87 -8.233 -8.035 -1.040 722 HA GLU 87 HA GLU 87 -7.037 -10.575 -1.179 723 1HB GLU 87 2HB GLU 87 -8.822 -9.698 -2.699 724 2HB GLU 87 1HB GLU 87 -7.608 -8.692 -3.473 725 1HG GLU 87 2HG GLU 87 -7.914 -10.606 -4.833 726 2HG GLU 87 1HG GLU 87 -6.352 -10.777 -4.034 727 H LYS 88 H LYS 88 -5.026 -11.233 -1.611 728 HA LYS 88 HA LYS 88 -3.013 -9.177 -2.203 729 1HB LYS 88 2HB LYS 88 -2.677 -11.902 -0.930 730 2HB LYS 88 1HB LYS 88 -1.390 -10.731 -1.198 731 1HG LYS 88 2HG LYS 88 -2.387 -9.187 0.337 732 2HG LYS 88 1HG LYS 88 -3.818 -10.203 0.497 733 1HD LYS 88 2HD LYS 88 -2.411 -11.975 1.481 734 2HD LYS 88 1HD LYS 88 -1.020 -10.892 1.382 735 1HE LYS 88 2HE LYS 88 -2.042 -10.921 3.628 736 2HE LYS 88 1HE LYS 88 -2.081 -9.325 2.883 737 1HZ LYS 88 1HZ LYS 88 -4.373 -11.210 2.806 738 2HZ LYS 88 2HZ LYS 88 -4.376 -9.564 2.397 739 3HZ LYS 88 3HZ LYS 88 -4.181 -10.035 4.014 740 H ILE 89 H ILE 89 -1.306 -9.698 -3.692 741 HA ILE 89 HA ILE 89 -2.390 -11.219 -5.928 742 HB ILE 89 HB ILE 89 0.034 -9.427 -5.887 743 1HG1 ILE 89 2HG1 ILE 89 -2.782 -8.815 -6.804 744 2HG1 ILE 89 1HG1 ILE 89 -2.053 -8.214 -5.318 745 1HG2 ILE 89 1HG2 ILE 89 0.038 -11.054 -7.709 746 2HG2 ILE 89 2HG2 ILE 89 -0.204 -9.418 -8.317 747 3HG2 ILE 89 3HG2 ILE 89 -1.572 -10.521 -8.195 748 1HD1 ILE 89 1HD1 ILE 89 -2.027 -6.518 -7.038 749 2HD1 ILE 89 2HD1 ILE 89 -1.148 -7.596 -8.121 750 3HD1 ILE 89 3HD1 ILE 89 -0.381 -7.013 -6.644 751 H LYS 90 H LYS 90 -1.457 -12.956 -6.815 752 HA LYS 90 HA LYS 90 1.104 -13.929 -5.771 753 1HB LYS 90 2HB LYS 90 -1.483 -15.492 -5.850 754 2HB LYS 90 1HB LYS 90 0.096 -16.228 -5.620 755 1HG LYS 90 2HG LYS 90 0.300 -15.464 -3.486 756 2HG LYS 90 1HG LYS 90 -0.684 -14.029 -3.787 757 1HD LYS 90 2HD LYS 90 -1.745 -16.849 -3.622 758 2HD LYS 90 1HD LYS 90 -1.792 -15.670 -2.305 759 1HE LYS 90 2HE LYS 90 -3.125 -14.166 -3.713 760 2HE LYS 90 1HE LYS 90 -3.099 -15.365 -5.007 761 1HZ LYS 90 1HZ LYS 90 -5.157 -15.433 -3.733 762 2HZ LYS 90 2HZ LYS 90 -4.286 -15.775 -2.317 763 3HZ LYS 90 3HZ LYS 90 -4.300 -16.891 -3.595 764 H ILE 91 H ILE 91 2.287 -15.091 -7.245 765 HA ILE 91 HA ILE 91 1.053 -15.538 -9.879 766 HB ILE 91 HB ILE 91 3.907 -14.676 -9.347 767 1HG1 ILE 91 2HG1 ILE 91 1.616 -13.196 -10.667 768 2HG1 ILE 91 1HG1 ILE 91 2.287 -12.845 -9.079 769 1HG2 ILE 91 1HG2 ILE 91 2.490 -15.229 -11.953 770 2HG2 ILE 91 2HG2 ILE 91 3.760 -16.213 -11.227 771 3HG2 ILE 91 3HG2 ILE 91 4.122 -14.582 -11.789 772 1HD1 ILE 91 1HD1 ILE 91 3.070 -11.283 -10.783 773 2HD1 ILE 91 2HD1 ILE 91 3.772 -12.626 -11.685 774 3HD1 ILE 91 3HD1 ILE 91 4.397 -12.213 -10.088 775 H ARG 92 H ARG 92 1.041 -17.590 -10.434 776 HA ARG 92 HA ARG 92 1.577 -19.787 -10.652 777 1HB ARG 92 2HB ARG 92 3.961 -18.740 -10.901 778 2HB ARG 92 1HB ARG 92 4.217 -19.355 -9.276 779 1HG ARG 92 2HG ARG 92 3.764 -21.617 -10.032 780 2HG ARG 92 1HG ARG 92 3.426 -21.022 -11.659 781 1HD ARG 92 2HD ARG 92 6.058 -20.880 -10.193 782 2HD ARG 92 1HD ARG 92 5.669 -21.919 -11.564 783 HE ARG 92 HE ARG 92 5.240 -19.202 -12.237 784 1HH1 ARG 92 1HH1 ARG 92 7.795 -21.561 -11.767 785 2HH1 ARG 92 2HH1 ARG 92 8.925 -20.699 -12.773 786 1HH2 ARG 92 1HH2 ARG 92 6.709 -18.098 -13.560 787 2HH2 ARG 92 2HH2 ARG 92 8.318 -18.732 -13.787 788 H MET 93 H MET 93 3.217 -21.282 -8.661 789 HA MET 93 HA MET 93 1.500 -21.026 -6.297 790 1HB MET 93 2HB MET 93 1.935 -23.526 -7.949 791 2HB MET 93 1HB MET 93 1.264 -23.548 -6.322 792 1HG MET 93 2HG MET 93 -0.595 -22.167 -7.052 793 2HG MET 93 1HG MET 93 0.085 -22.091 -8.675 794 1HE MET 93 1HE MET 93 -2.272 -22.884 -9.655 795 2HE MET 93 2HE MET 93 -2.912 -22.956 -8.015 796 3HE MET 93 3HE MET 93 -3.114 -24.331 -9.100 797 HA PRO 94 HA PRO 94 4.916 -22.008 -3.604 798 1HB PRO 94 2HB PRO 94 4.324 -24.691 -2.879 799 2HB PRO 94 1HB PRO 94 3.974 -23.226 -1.960 800 1HG PRO 94 2HG PRO 94 2.215 -24.814 -3.734 801 2HG PRO 94 1HG PRO 94 1.796 -23.822 -2.328 802 1HD PRO 94 2HD PRO 94 1.247 -23.025 -4.829 803 2HD PRO 94 1HD PRO 94 1.741 -21.866 -3.578 804 H THR 95 H THR 95 4.107 -24.535 -5.926 805 HA THR 95 HA THR 95 6.884 -25.327 -6.151 806 HB THR 95 HB THR 95 4.483 -26.123 -7.818 807 HG1 THR 95 HG1 THR 95 5.795 -27.210 -5.546 808 1HG2 THR 95 1HG2 THR 95 6.590 -26.370 -9.062 809 2HG2 THR 95 2HG2 THR 95 5.911 -27.941 -8.641 810 3HG2 THR 95 3HG2 THR 95 7.271 -27.294 -7.727 811 H LEU 96 H LEU 96 8.204 -23.914 -7.054 812 HA LEU 96 HA LEU 96 7.197 -21.872 -8.842 813 1HB LEU 96 2HB LEU 96 8.854 -21.654 -6.832 814 2HB LEU 96 1HB LEU 96 10.059 -22.173 -7.989 815 HG LEU 96 HG LEU 96 9.954 -19.706 -7.675 816 1HD1 LEU 96 1HD1 LEU 96 10.018 -19.119 -10.034 817 2HD1 LEU 96 2HD1 LEU 96 9.248 -20.650 -10.444 818 3HD1 LEU 96 3HD1 LEU 96 10.860 -20.638 -9.733 819 1HD2 LEU 96 1HD2 LEU 96 7.557 -19.479 -7.319 820 2HD2 LEU 96 2HD2 LEU 96 7.248 -19.982 -8.980 821 3HD2 LEU 96 3HD2 LEU 96 8.087 -18.465 -8.663 Start of MODEL 10 1 1H MET 1 1H MET 1 -3.304 14.926 -12.709 2 2H MET 1 2H MET 1 -2.017 14.320 -13.624 3 3H MET 1 3H MET 1 -1.760 15.609 -12.552 4 HA MET 1 HA MET 1 -2.304 14.176 -10.679 5 1HB MET 1 2HB MET 1 -2.370 12.021 -12.806 6 2HB MET 1 1HB MET 1 -2.403 11.731 -11.076 7 1HG MET 1 2HG MET 1 -4.615 11.509 -11.910 8 2HG MET 1 1HG MET 1 -4.539 12.997 -10.969 9 1HE MET 1 1HE MET 1 -6.900 13.623 -12.109 10 2HE MET 1 2HE MET 1 -6.855 12.176 -13.114 11 3HE MET 1 3HE MET 1 -7.134 13.755 -13.852 12 HA PRO 2 HA PRO 2 2.133 13.954 -10.938 13 1HB PRO 2 2HB PRO 2 2.198 13.486 -8.097 14 2HB PRO 2 1HB PRO 2 2.566 14.976 -8.965 15 1HG PRO 2 2HG PRO 2 0.401 14.647 -7.309 16 2HG PRO 2 1HG PRO 2 0.474 15.830 -8.626 17 1HD PRO 2 2HD PRO 2 -0.842 13.142 -8.558 18 2HD PRO 2 1HD PRO 2 -1.406 14.658 -9.296 19 H ALA 3 H ALA 3 3.757 12.408 -10.780 20 HA ALA 3 HA ALA 3 2.912 9.665 -10.515 21 1HB ALA 3 1HB ALA 3 5.647 10.829 -11.041 22 2HB ALA 3 2HB ALA 3 4.497 10.298 -12.266 23 3HB ALA 3 3HB ALA 3 5.213 9.125 -11.163 24 H ILE 4 H ILE 4 2.758 8.737 -8.619 25 HA ILE 4 HA ILE 4 3.233 7.983 -6.530 26 HB ILE 4 HB ILE 4 5.799 9.526 -6.871 27 1HG1 ILE 4 2HG1 ILE 4 5.293 6.545 -6.901 28 2HG1 ILE 4 1HG1 ILE 4 5.402 7.539 -8.351 29 1HG2 ILE 4 1HG2 ILE 4 6.621 8.370 -4.894 30 2HG2 ILE 4 2HG2 ILE 4 5.057 7.584 -4.685 31 3HG2 ILE 4 3HG2 ILE 4 5.198 9.331 -4.496 32 1HD1 ILE 4 1HD1 ILE 4 7.586 7.126 -6.326 33 2HD1 ILE 4 2HD1 ILE 4 7.698 8.115 -7.782 34 3HD1 ILE 4 3HD1 ILE 4 7.479 6.370 -7.914 35 H GLU 5 H GLU 5 1.897 8.756 -5.071 36 HA GLU 5 HA GLU 5 2.235 11.398 -3.939 37 1HB GLU 5 2HB GLU 5 -0.075 12.083 -4.502 38 2HB GLU 5 1HB GLU 5 0.933 11.895 -5.931 39 1HG GLU 5 2HG GLU 5 -0.036 9.584 -6.170 40 2HG GLU 5 1HG GLU 5 -1.188 10.030 -4.913 41 H VAL 6 H VAL 6 0.492 11.773 -2.231 42 HA VAL 6 HA VAL 6 0.460 9.525 -0.498 43 HB VAL 6 HB VAL 6 -0.964 10.963 0.988 44 1HG1 VAL 6 1HG1 VAL 6 1.592 12.165 -0.072 45 2HG1 VAL 6 2HG1 VAL 6 1.440 10.976 1.222 46 3HG1 VAL 6 3HG1 VAL 6 0.818 12.609 1.448 47 1HG2 VAL 6 1HG2 VAL 6 -2.104 12.254 -0.748 48 2HG2 VAL 6 2HG2 VAL 6 -0.574 13.006 -1.201 49 3HG2 VAL 6 3HG2 VAL 6 -1.270 13.314 0.389 50 HN2 GLY 7 H GLY 7 -1.082 8.096 -0.020 51 1HA GLY 7 2HA GLY 7 -3.237 7.222 0.153 52 2HA GLY 7 1HA GLY 7 -3.836 8.549 -0.831 53 H ARG 8 H ARG 8 -1.390 7.677 -2.643 54 HA ARG 8 HA ARG 8 -3.120 6.066 -4.326 55 1HB ARG 8 2HB ARG 8 -1.752 8.040 -5.156 56 2HB ARG 8 1HB ARG 8 -0.334 7.018 -4.970 57 1HG ARG 8 2HG ARG 8 -1.056 5.535 -6.656 58 2HG ARG 8 1HG ARG 8 -2.685 6.222 -6.660 59 1HD ARG 8 2HD ARG 8 -1.805 8.327 -7.513 60 2HD ARG 8 1HD ARG 8 -0.170 7.672 -7.475 61 HE ARG 8 HE ARG 8 -1.725 5.980 -9.063 62 1HH1 ARG 8 1HH1 ARG 8 -0.726 9.347 -9.095 63 2HH1 ARG 8 2HH1 ARG 8 -0.532 9.401 -10.820 64 1HH2 ARG 8 1HH2 ARG 8 -1.527 6.064 -11.344 65 2HH2 ARG 8 2HH2 ARG 8 -0.999 7.534 -12.099 66 H ILE 9 H ILE 9 -2.806 3.976 -4.861 67 HA ILE 9 HA ILE 9 -1.188 2.441 -3.045 68 HB ILE 9 HB ILE 9 -2.942 1.534 -5.335 69 1HG1 ILE 9 2HG1 ILE 9 -3.491 1.676 -2.360 70 2HG1 ILE 9 1HG1 ILE 9 -4.181 2.739 -3.581 71 1HG2 ILE 9 1HG2 ILE 9 -1.745 -0.045 -3.055 72 2HG2 ILE 9 2HG2 ILE 9 -1.258 -0.132 -4.748 73 3HG2 ILE 9 3HG2 ILE 9 -2.868 -0.665 -4.265 74 1HD1 ILE 9 1HD1 ILE 9 -4.624 -0.228 -3.386 75 2HD1 ILE 9 2HD1 ILE 9 -5.326 0.848 -4.594 76 3HD1 ILE 9 3HD1 ILE 9 -5.758 1.030 -2.894 77 H CYS 10 H CYS 10 0.768 1.628 -3.425 78 HA CYS 10 HA CYS 10 1.730 1.568 -6.205 79 1HB CYS 10 2HB CYS 10 4.032 1.504 -5.049 80 2HB CYS 10 1HB CYS 10 3.162 3.031 -5.088 81 HG CYS 10 HG CYS 10 3.669 0.962 -2.426 82 H VAL 11 H VAL 11 2.385 -0.302 -7.038 83 HA VAL 11 HA VAL 11 2.089 -2.661 -5.318 84 HB VAL 11 HB VAL 11 0.626 -2.635 -7.271 85 1HG1 VAL 11 1HG1 VAL 11 3.156 -2.538 -8.898 86 2HG1 VAL 11 2HG1 VAL 11 1.914 -1.289 -8.793 87 3HG1 VAL 11 3HG1 VAL 11 1.543 -2.843 -9.542 88 1HG2 VAL 11 1HG2 VAL 11 1.370 -4.796 -6.465 89 2HG2 VAL 11 2HG2 VAL 11 2.796 -4.712 -7.497 90 3HG2 VAL 11 3HG2 VAL 11 1.191 -4.823 -8.218 91 H LYS 12 H LYS 12 3.637 -4.221 -5.203 92 HA LYS 12 HA LYS 12 6.344 -3.341 -5.559 93 1HB LYS 12 2HB LYS 12 5.467 -4.754 -3.644 94 2HB LYS 12 1HB LYS 12 5.376 -6.096 -4.775 95 1HG LYS 12 2HG LYS 12 7.811 -5.844 -5.178 96 2HG LYS 12 1HG LYS 12 7.848 -4.620 -3.908 97 1HD LYS 12 2HD LYS 12 7.013 -7.502 -3.584 98 2HD LYS 12 1HD LYS 12 8.535 -6.793 -3.044 99 1HE LYS 12 2HE LYS 12 7.299 -5.314 -1.528 100 2HE LYS 12 1HE LYS 12 5.782 -6.039 -2.057 101 1HZ LYS 12 1HZ LYS 12 7.998 -7.397 -0.616 102 2HZ LYS 12 2HZ LYS 12 6.641 -8.194 -1.234 103 3HZ LYS 12 3HZ LYS 12 6.453 -7.044 -0.003 104 H VAL 13 H VAL 13 7.043 -3.261 -7.634 105 HA VAL 13 HA VAL 13 6.268 -5.337 -9.514 106 HB VAL 13 HB VAL 13 7.441 -4.014 -11.208 107 1HG1 VAL 13 1HG1 VAL 13 5.659 -2.343 -9.439 108 2HG1 VAL 13 2HG1 VAL 13 5.121 -3.478 -10.677 109 3HG1 VAL 13 3HG1 VAL 13 6.013 -2.028 -11.138 110 1HG2 VAL 13 1HG2 VAL 13 9.277 -3.169 -9.847 111 2HG2 VAL 13 2HG2 VAL 13 8.153 -2.170 -8.927 112 3HG2 VAL 13 3HG2 VAL 13 8.428 -1.840 -10.638 113 H LYS 14 H LYS 14 8.387 -5.373 -7.162 114 HA LYS 14 HA LYS 14 10.811 -6.168 -8.417 115 1HB LYS 14 2HB LYS 14 10.662 -5.377 -6.051 116 2HB LYS 14 1HB LYS 14 9.825 -6.868 -5.642 117 1HG LYS 14 2HG LYS 14 11.821 -8.131 -6.417 118 2HG LYS 14 1HG LYS 14 12.652 -6.590 -6.635 119 1HD LYS 14 2HD LYS 14 13.271 -7.535 -4.507 120 2HD LYS 14 1HD LYS 14 12.281 -6.101 -4.239 121 1HE LYS 14 2HE LYS 14 11.602 -7.858 -2.726 122 2HE LYS 14 1HE LYS 14 10.320 -7.545 -3.895 123 1HZ LYS 14 1HZ LYS 14 11.053 -9.497 -5.148 124 2HZ LYS 14 2HZ LYS 14 10.627 -9.904 -3.557 125 3HZ LYS 14 3HZ LYS 14 12.263 -9.796 -3.998 126 HN2 GLY 15 H GLY 15 11.623 -8.230 -8.752 127 1HA GLY 15 2HA GLY 15 9.847 -10.078 -9.837 128 2HA GLY 15 1HA GLY 15 11.523 -10.410 -9.433 129 H ARG 16 H ARG 16 9.007 -11.968 -9.248 130 HA ARG 16 HA ARG 16 8.401 -13.783 -8.046 131 1HB ARG 16 2HB ARG 16 10.353 -12.967 -5.892 132 2HB ARG 16 1HB ARG 16 9.651 -14.556 -6.150 133 1HG ARG 16 2HG ARG 16 11.664 -13.150 -7.888 134 2HG ARG 16 1HG ARG 16 11.921 -14.584 -6.896 135 1HD ARG 16 2HD ARG 16 9.929 -14.512 -9.145 136 2HD ARG 16 1HD ARG 16 11.619 -14.940 -9.397 137 HE ARG 16 HE ARG 16 10.482 -16.510 -7.315 138 1HH1 ARG 16 1HH1 ARG 16 10.437 -16.113 -10.797 139 2HH1 ARG 16 2HH1 ARG 16 10.168 -17.804 -11.116 140 1HH2 ARG 16 1HH2 ARG 16 10.140 -18.731 -7.724 141 2HH2 ARG 16 2HH2 ARG 16 10.031 -19.301 -9.363 142 H GLU 17 H GLU 17 8.022 -10.637 -7.104 143 HA GLU 17 HA GLU 17 5.857 -11.378 -5.269 144 1HB GLU 17 2HB GLU 17 7.985 -9.307 -4.735 145 2HB GLU 17 1HB GLU 17 6.459 -9.364 -3.867 146 1HG GLU 17 2HG GLU 17 7.020 -11.634 -3.089 147 2HG GLU 17 1HG GLU 17 8.580 -11.496 -3.902 148 H ALA 18 H ALA 18 5.892 -10.565 -8.053 149 HA ALA 18 HA ALA 18 5.223 -7.784 -8.243 150 1HB ALA 18 1HB ALA 18 6.294 -9.008 -10.080 151 2HB ALA 18 2HB ALA 18 4.779 -8.257 -10.584 152 3HB ALA 18 3HB ALA 18 4.841 -9.991 -10.261 153 HN2 GLY 19 H GLY 19 3.583 -9.185 -6.375 154 1HA GLY 19 2HA GLY 19 0.977 -8.457 -7.493 155 2HA GLY 19 1HA GLY 19 1.152 -10.060 -6.790 156 H SER 20 H SER 20 3.108 -7.752 -5.309 157 HA SER 20 HA SER 20 1.419 -7.842 -2.926 158 1HB SER 20 2HB SER 20 3.915 -8.479 -2.989 159 2HB SER 20 1HB SER 20 4.223 -6.746 -3.099 160 HG SER 20 HG SER 20 3.790 -8.174 -0.932 161 H LYS 21 H LYS 21 0.570 -6.013 -1.972 162 HA LYS 21 HA LYS 21 0.847 -3.522 -3.526 163 1HB LYS 21 2HB LYS 21 -1.599 -4.779 -2.296 164 2HB LYS 21 1HB LYS 21 -1.551 -3.091 -2.782 165 1HG LYS 21 2HG LYS 21 -1.362 -3.627 -5.046 166 2HG LYS 21 1HG LYS 21 -0.889 -5.291 -4.701 167 1HD LYS 21 2HD LYS 21 -3.583 -4.164 -3.972 168 2HD LYS 21 1HD LYS 21 -3.265 -4.968 -5.507 169 1HE LYS 21 2HE LYS 21 -2.531 -6.968 -4.285 170 2HE LYS 21 1HE LYS 21 -2.906 -6.164 -2.764 171 1HZ LYS 21 1HZ LYS 21 -4.846 -6.856 -4.902 172 2HZ LYS 21 2HZ LYS 21 -5.235 -6.013 -3.490 173 3HZ LYS 21 3HZ LYS 21 -4.704 -7.623 -3.400 174 H CYS 22 H CYS 22 0.812 -1.585 -2.441 175 HA CYS 22 HA CYS 22 0.401 -1.492 0.420 176 1HB CYS 22 2HB CYS 22 2.626 -0.280 0.719 177 2HB CYS 22 1HB CYS 22 2.709 -2.023 0.503 178 HG CYS 22 HG CYS 22 2.935 -0.965 -2.482 179 H VAL 23 H VAL 23 0.220 0.714 1.200 180 HA VAL 23 HA VAL 23 -0.444 2.587 -0.981 181 HB VAL 23 HB VAL 23 -1.541 2.574 1.839 182 1HG1 VAL 23 1HG1 VAL 23 -2.370 4.167 -0.586 183 2HG1 VAL 23 2HG1 VAL 23 -1.504 4.791 0.820 184 3HG1 VAL 23 3HG1 VAL 23 -3.155 4.198 0.995 185 1HG2 VAL 23 1HG2 VAL 23 -2.347 0.629 0.654 186 2HG2 VAL 23 2HG2 VAL 23 -2.791 1.619 -0.737 187 3HG2 VAL 23 3HG2 VAL 23 -3.651 1.809 0.793 188 H ILE 24 H ILE 24 0.569 4.520 -1.066 189 HA ILE 24 HA ILE 24 2.657 5.144 0.815 190 HB ILE 24 HB ILE 24 1.519 6.935 -1.343 191 1HG1 ILE 24 2HG1 ILE 24 3.852 5.014 -1.537 192 2HG1 ILE 24 1HG1 ILE 24 2.262 4.728 -2.237 193 1HG2 ILE 24 1HG2 ILE 24 2.901 8.063 0.333 194 2HG2 ILE 24 2HG2 ILE 24 3.703 8.030 -1.238 195 3HG2 ILE 24 3HG2 ILE 24 4.206 6.915 0.033 196 1HD1 ILE 24 1HD1 ILE 24 4.128 6.973 -2.965 197 2HD1 ILE 24 2HD1 ILE 24 2.538 6.675 -3.670 198 3HD1 ILE 24 3HD1 ILE 24 3.841 5.508 -3.905 199 H VAL 25 H VAL 25 1.868 5.603 2.818 200 HA VAL 25 HA VAL 25 -0.517 7.286 3.014 201 HB VAL 25 HB VAL 25 -0.570 6.605 5.399 202 1HG1 VAL 25 1HG1 VAL 25 -0.427 4.344 3.407 203 2HG1 VAL 25 2HG1 VAL 25 -1.832 5.358 3.739 204 3HG1 VAL 25 3HG1 VAL 25 -1.213 4.271 4.983 205 1HG2 VAL 25 1HG2 VAL 25 1.820 6.219 5.732 206 2HG2 VAL 25 2HG2 VAL 25 1.755 4.837 4.636 207 3HG2 VAL 25 3HG2 VAL 25 0.880 4.793 6.167 208 H ASP 26 H ASP 26 2.887 7.342 3.725 209 HA ASP 26 HA ASP 26 2.594 10.078 4.710 210 1HB ASP 26 2HB ASP 26 2.619 8.749 6.731 211 2HB ASP 26 1HB ASP 26 4.044 7.876 6.190 212 H ILE 27 H ILE 27 4.037 11.395 3.874 213 HA ILE 27 HA ILE 27 6.378 10.225 2.532 214 HB ILE 27 HB ILE 27 4.823 12.722 1.807 215 1HG1 ILE 27 2HG1 ILE 27 5.239 10.097 0.359 216 2HG1 ILE 27 1HG1 ILE 27 3.741 10.640 1.104 217 1HG2 ILE 27 1HG2 ILE 27 6.368 12.945 -0.078 218 2HG2 ILE 27 2HG2 ILE 27 7.316 11.593 0.540 219 3HG2 ILE 27 3HG2 ILE 27 7.206 13.088 1.468 220 1HD1 ILE 27 1HD1 ILE 27 3.713 10.891 -1.325 221 2HD1 ILE 27 2HD1 ILE 27 5.111 11.963 -1.231 222 3HD1 ILE 27 3HD1 ILE 27 3.577 12.447 -0.507 223 H ILE 28 H ILE 28 8.112 10.547 3.761 224 HA ILE 28 HA ILE 28 8.211 12.827 5.572 225 HB ILE 28 HB ILE 28 10.266 10.625 5.279 226 1HG1 ILE 28 2HG1 ILE 28 9.122 9.882 7.528 227 2HG1 ILE 28 1HG1 ILE 28 7.726 10.728 6.877 228 1HG2 ILE 28 1HG2 ILE 28 11.094 12.614 6.374 229 2HG2 ILE 28 2HG2 ILE 28 10.918 11.314 7.550 230 3HG2 ILE 28 3HG2 ILE 28 9.723 12.608 7.482 231 1HD1 ILE 28 1HD1 ILE 28 9.172 8.465 5.517 232 2HD1 ILE 28 2HD1 ILE 28 7.714 9.270 4.940 233 3HD1 ILE 28 3HD1 ILE 28 7.668 8.322 6.427 234 H ASP 29 H ASP 29 10.418 11.273 3.266 235 HA ASP 29 HA ASP 29 11.557 13.923 2.674 236 1HB ASP 29 2HB ASP 29 12.718 11.146 2.410 237 2HB ASP 29 1HB ASP 29 13.456 12.560 1.668 238 H ASP 30 H ASP 30 12.670 13.484 0.222 239 HA ASP 30 HA ASP 30 10.304 13.624 -1.411 240 1HB ASP 30 2HB ASP 30 12.226 15.147 -1.763 241 2HB ASP 30 1HB ASP 30 13.209 13.768 -2.244 242 H ASN 31 H ASN 31 12.908 11.338 -0.886 243 HA ASN 31 HA ASN 31 11.579 9.510 -2.776 244 1HB ASN 31 2HB ASN 31 14.445 9.602 -1.834 245 2HB ASN 31 1HB ASN 31 13.770 8.234 -2.714 246 1HD2 ASN 31 1HD2 ASN 31 13.208 8.488 -4.876 247 2HD2 ASN 31 2HD2 ASN 31 13.787 9.813 -5.826 248 H PHE 32 H PHE 32 12.711 9.915 0.494 249 HA PHE 32 HA PHE 32 12.173 7.183 1.238 250 1HB PHE 32 2HB PHE 32 12.769 9.612 2.942 251 2HB PHE 32 1HB PHE 32 12.663 7.958 3.539 252 HD1 PHE 32 HD1 PHE 32 14.380 6.310 2.927 253 HD2 PHE 32 HD2 PHE 32 14.705 10.397 1.784 254 HE1 PHE 32 HE1 PHE 32 16.770 5.980 2.439 255 HE2 PHE 32 HE2 PHE 32 17.096 10.073 1.292 256 HZ PHE 32 HZ PHE 32 18.130 7.863 1.620 257 H VAL 33 H VAL 33 10.109 6.558 1.178 258 HA VAL 33 HA VAL 33 8.118 8.300 2.458 259 HB VAL 33 HB VAL 33 6.429 7.488 0.842 260 1HG1 VAL 33 1HG1 VAL 33 7.525 9.634 0.458 261 2HG1 VAL 33 2HG1 VAL 33 7.165 8.830 -1.072 262 3HG1 VAL 33 3HG1 VAL 33 8.812 8.826 -0.439 263 1HG2 VAL 33 1HG2 VAL 33 7.161 6.379 -1.227 264 2HG2 VAL 33 2HG2 VAL 33 7.470 5.388 0.199 265 3HG2 VAL 33 3HG2 VAL 33 8.794 6.260 -0.573 266 H LEU 34 H LEU 34 6.345 7.252 3.436 267 HA LEU 34 HA LEU 34 7.003 4.561 4.394 268 1HB LEU 34 2HB LEU 34 6.626 6.176 6.136 269 2HB LEU 34 1HB LEU 34 5.112 6.677 5.414 270 HG LEU 34 HG LEU 34 4.206 4.385 5.902 271 1HD1 LEU 34 1HD1 LEU 34 5.376 3.006 7.527 272 2HD1 LEU 34 2HD1 LEU 34 6.734 4.130 7.514 273 3HD1 LEU 34 3HD1 LEU 34 6.338 3.210 6.063 274 1HD2 LEU 34 1HD2 LEU 34 3.668 6.254 7.350 275 2HD2 LEU 34 2HD2 LEU 34 5.168 6.022 8.246 276 3HD2 LEU 34 3HD2 LEU 34 3.905 4.794 8.310 277 H VAL 35 H VAL 35 6.079 2.943 3.382 278 HA VAL 35 HA VAL 35 3.329 3.273 2.395 279 HB VAL 35 HB VAL 35 3.785 1.494 0.756 280 1HG1 VAL 35 1HG1 VAL 35 5.214 2.784 -0.748 281 2HG1 VAL 35 2HG1 VAL 35 5.753 3.773 0.609 282 3HG1 VAL 35 3HG1 VAL 35 4.066 3.824 0.095 283 1HG2 VAL 35 1HG2 VAL 35 5.541 0.302 1.958 284 2HG2 VAL 35 2HG2 VAL 35 6.636 1.667 1.732 285 3HG2 VAL 35 3HG2 VAL 35 6.079 0.742 0.337 286 H THR 36 H THR 36 1.882 1.565 2.803 287 HA THR 36 HA THR 36 2.687 -0.806 4.188 288 HB THR 36 HB THR 36 2.891 0.835 6.041 289 HG1 THR 36 HG1 THR 36 0.573 -0.627 6.675 290 1HG2 THR 36 1HG2 THR 36 -0.069 1.276 5.640 291 2HG2 THR 36 2HG2 THR 36 1.200 2.446 5.273 292 3HG2 THR 36 3HG2 THR 36 0.916 1.942 6.939 293 HN2 GLY 37 H GLY 37 0.700 -2.057 4.895 294 1HA GLY 37 2HA GLY 37 -1.600 -1.398 3.162 295 2HA GLY 37 1HA GLY 37 -1.186 -3.017 3.721 296 HA PRO 38 HA PRO 38 -4.385 -1.280 6.596 297 1HB PRO 38 2HB PRO 38 -5.813 -3.783 6.212 298 2HB PRO 38 1HB PRO 38 -6.347 -2.136 5.865 299 1HG PRO 38 2HG PRO 38 -5.817 -3.972 3.925 300 2HG PRO 38 1HG PRO 38 -5.632 -2.226 3.689 301 1HD PRO 38 2HD PRO 38 -3.544 -4.295 4.265 302 2HD PRO 38 1HD PRO 38 -3.486 -2.913 3.149 303 H LYS 39 H LYS 39 -4.797 -1.909 8.727 304 HA LYS 39 HA LYS 39 -3.015 -3.929 9.775 305 1HB LYS 39 2HB LYS 39 -3.131 -1.613 10.780 306 2HB LYS 39 1HB LYS 39 -4.763 -1.996 11.314 307 1HG LYS 39 2HG LYS 39 -3.982 -3.689 12.780 308 2HG LYS 39 1HG LYS 39 -2.362 -3.636 12.084 309 1HD LYS 39 2HD LYS 39 -2.050 -2.426 14.017 310 2HD LYS 39 1HD LYS 39 -2.427 -1.141 12.872 311 1HE LYS 39 2HE LYS 39 -4.403 -2.433 14.749 312 2HE LYS 39 1HE LYS 39 -3.598 -0.893 15.029 313 1HZ LYS 39 1HZ LYS 39 -5.499 -1.515 12.835 314 2HZ LYS 39 2HZ LYS 39 -4.663 -0.042 12.997 315 3HZ LYS 39 3HZ LYS 39 -5.786 -0.521 14.175 316 H ASP 40 H ASP 40 -3.655 -5.763 10.465 317 HA ASP 40 HA ASP 40 -4.891 -7.558 11.116 318 1HB ASP 40 2HB ASP 40 -6.167 -6.239 12.671 319 2HB ASP 40 1HB ASP 40 -7.143 -5.561 11.370 320 H ILE 41 H ILE 41 -6.863 -5.471 9.016 321 HA ILE 41 HA ILE 41 -7.785 -7.612 7.376 322 HB ILE 41 HB ILE 41 -7.525 -4.683 6.656 323 1HG1 ILE 41 2HG1 ILE 41 -9.907 -6.159 7.808 324 2HG1 ILE 41 1HG1 ILE 41 -8.866 -5.060 8.712 325 1HG2 ILE 41 1HG2 ILE 41 -7.832 -6.105 4.712 326 2HG2 ILE 41 2HG2 ILE 41 -9.295 -5.169 5.016 327 3HG2 ILE 41 3HG2 ILE 41 -9.227 -6.873 5.468 328 1HD1 ILE 41 1HD1 ILE 41 -9.553 -3.225 7.251 329 2HD1 ILE 41 2HD1 ILE 41 -10.931 -3.976 8.053 330 3HD1 ILE 41 3HD1 ILE 41 -10.599 -4.330 6.357 331 H THR 42 H THR 42 -6.582 -8.750 6.012 332 HA THR 42 HA THR 42 -4.917 -9.417 4.623 333 HB THR 42 HB THR 42 -4.072 -6.516 4.454 334 HG1 THR 42 HG1 THR 42 -5.390 -7.383 2.283 335 1HG2 THR 42 1HG2 THR 42 -3.096 -7.207 2.299 336 2HG2 THR 42 2HG2 THR 42 -3.561 -8.874 2.634 337 3HG2 THR 42 3HG2 THR 42 -2.370 -8.068 3.655 338 HN2 GLY 43 H GLY 43 -3.743 -6.816 6.781 339 1HA GLY 43 2HA GLY 43 -2.402 -7.057 8.663 340 2HA GLY 43 1HA GLY 43 -2.218 -8.761 8.282 341 H VAL 44 H VAL 44 -1.361 -5.687 6.667 342 HA VAL 44 HA VAL 44 1.413 -6.670 6.568 343 HB VAL 44 HB VAL 44 0.021 -5.275 4.270 344 1HG1 VAL 44 1HG1 VAL 44 2.086 -5.723 3.032 345 2HG1 VAL 44 2HG1 VAL 44 2.808 -6.417 4.483 346 3HG1 VAL 44 3HG1 VAL 44 2.388 -4.704 4.439 347 1HG2 VAL 44 1HG2 VAL 44 -0.725 -7.608 4.546 348 2HG2 VAL 44 2HG2 VAL 44 0.954 -8.139 4.467 349 3HG2 VAL 44 3HG2 VAL 44 0.205 -7.375 3.065 350 H LYS 45 H LYS 45 1.996 -5.280 8.269 351 HA LYS 45 HA LYS 45 1.744 -2.412 7.762 352 1HB LYS 45 2HB LYS 45 1.273 -3.164 10.041 353 2HB LYS 45 1HB LYS 45 2.870 -3.892 10.150 354 1HG LYS 45 2HG LYS 45 3.918 -1.723 10.030 355 2HG LYS 45 1HG LYS 45 2.355 -0.950 9.759 356 1HD LYS 45 2HD LYS 45 1.612 -1.618 11.973 357 2HD LYS 45 1HD LYS 45 3.128 -2.480 12.242 358 1HE LYS 45 2HE LYS 45 3.072 -0.265 13.341 359 2HE LYS 45 1HE LYS 45 4.369 -0.407 12.154 360 1HZ LYS 45 1HZ LYS 45 1.740 0.850 11.568 361 2HZ LYS 45 2HZ LYS 45 3.139 0.880 10.603 362 3HZ LYS 45 3HZ LYS 45 3.106 1.722 12.076 363 H ARG 46 H ARG 46 3.182 -1.620 6.416 364 HA ARG 46 HA ARG 46 5.846 -2.840 6.328 365 1HB ARG 46 2HB ARG 46 4.476 -2.821 4.236 366 2HB ARG 46 1HB ARG 46 4.547 -1.066 4.262 367 1HG ARG 46 2HG ARG 46 6.172 -1.925 2.708 368 2HG ARG 46 1HG ARG 46 6.999 -1.179 4.076 369 1HD ARG 46 2HD ARG 46 7.460 -3.332 5.041 370 2HD ARG 46 1HD ARG 46 6.478 -4.138 3.820 371 HE ARG 46 HE ARG 46 8.701 -2.611 2.769 372 1HH1 ARG 46 1HH1 ARG 46 7.653 -5.698 4.026 373 2HH1 ARG 46 2HH1 ARG 46 8.822 -6.620 3.125 374 1HH2 ARG 46 1HH2 ARG 46 10.322 -3.818 1.621 375 2HH2 ARG 46 2HH2 ARG 46 10.367 -5.549 1.807 376 H ARG 47 H ARG 47 7.700 -1.565 6.333 377 HA ARG 47 HA ARG 47 7.462 0.959 7.740 378 1HB ARG 47 2HB ARG 47 9.892 0.819 7.933 379 2HB ARG 47 1HB ARG 47 9.156 -0.706 8.407 380 1HG ARG 47 2HG ARG 47 9.724 -1.694 6.285 381 2HG ARG 47 1HG ARG 47 10.334 -0.149 5.695 382 1HD ARG 47 2HD ARG 47 12.210 -1.461 6.319 383 2HD ARG 47 1HD ARG 47 12.015 -0.201 7.535 384 HE ARG 47 HE ARG 47 10.913 -2.871 8.044 385 1HH1 ARG 47 1HH1 ARG 47 13.147 -0.299 8.818 386 2HH1 ARG 47 2HH1 ARG 47 13.727 -1.053 10.277 387 1HH2 ARG 47 1HH2 ARG 47 11.674 -3.902 9.941 388 2HH2 ARG 47 2HH2 ARG 47 12.912 -3.132 10.900 389 H ARG 48 H ARG 48 9.094 2.723 6.994 390 HA ARG 48 HA ARG 48 8.628 3.480 4.291 391 1HB ARG 48 2HB ARG 48 10.278 5.268 4.723 392 2HB ARG 48 1HB ARG 48 9.072 5.166 5.997 393 1HG ARG 48 2HG ARG 48 10.682 3.932 7.390 394 2HG ARG 48 1HG ARG 48 11.889 4.112 6.117 395 1HD ARG 48 2HD ARG 48 12.253 5.805 7.789 396 2HD ARG 48 1HD ARG 48 11.665 6.566 6.311 397 HE ARG 48 HE ARG 48 9.397 6.460 7.512 398 1HH1 ARG 48 1HH1 ARG 48 12.472 6.881 9.113 399 2HH1 ARG 48 2HH1 ARG 48 11.809 7.797 10.436 400 1HH2 ARG 48 1HH2 ARG 48 8.505 7.676 9.239 401 2HH2 ARG 48 2HH2 ARG 48 9.553 8.267 10.502 402 H VAL 49 H VAL 49 9.776 2.983 2.461 403 HA VAL 49 HA VAL 49 12.156 1.298 2.874 404 HB VAL 49 HB VAL 49 11.354 -0.185 1.039 405 1HG1 VAL 49 1HG1 VAL 49 9.568 -0.058 3.467 406 2HG1 VAL 49 2HG1 VAL 49 11.155 -0.824 3.392 407 3HG1 VAL 49 3HG1 VAL 49 9.824 -1.465 2.431 408 1HG2 VAL 49 1HG2 VAL 49 8.954 -0.179 0.498 409 2HG2 VAL 49 2HG2 VAL 49 9.756 1.308 -0.013 410 3HG2 VAL 49 3HG2 VAL 49 8.757 1.299 1.442 411 H ASN 50 H ASN 50 11.141 4.012 1.529 412 HA ASN 50 HA ASN 50 11.978 5.440 -0.033 413 1HB ASN 50 2HB ASN 50 14.197 4.641 0.681 414 2HB ASN 50 1HB ASN 50 14.086 3.306 -0.457 415 1HD2 ASN 50 1HD2 ASN 50 15.924 3.921 -1.554 416 2HD2 ASN 50 2HD2 ASN 50 15.977 5.311 -2.579 417 H ILE 51 H ILE 51 11.863 5.828 -2.296 418 HA ILE 51 HA ILE 51 10.117 4.005 -3.672 419 HB ILE 51 HB ILE 51 11.400 6.527 -4.720 420 1HG1 ILE 51 2HG1 ILE 51 8.653 6.172 -3.500 421 2HG1 ILE 51 1HG1 ILE 51 10.029 6.868 -2.651 422 1HG2 ILE 51 1HG2 ILE 51 9.584 6.514 -6.349 423 2HG2 ILE 51 2HG2 ILE 51 8.974 5.007 -5.663 424 3HG2 ILE 51 3HG2 ILE 51 10.547 5.039 -6.460 425 1HD1 ILE 51 1HD1 ILE 51 8.677 7.987 -5.097 426 2HD1 ILE 51 2HD1 ILE 51 10.113 8.665 -4.334 427 3HD1 ILE 51 3HD1 ILE 51 8.586 8.617 -3.453 428 H LEU 52 H LEU 52 11.467 2.197 -3.859 429 HA LEU 52 HA LEU 52 13.637 2.437 -5.817 430 1HB LEU 52 2HB LEU 52 12.961 0.222 -3.886 431 2HB LEU 52 1HB LEU 52 14.233 0.117 -5.087 432 HG LEU 52 HG LEU 52 14.134 2.102 -2.811 433 1HD1 LEU 52 1HD1 LEU 52 16.030 0.814 -1.934 434 2HD1 LEU 52 2HD1 LEU 52 15.831 -0.354 -3.240 435 3HD1 LEU 52 3HD1 LEU 52 14.561 -0.156 -2.033 436 1HD2 LEU 52 1HD2 LEU 52 15.254 3.020 -4.768 437 2HD2 LEU 52 2HD2 LEU 52 16.266 1.581 -4.883 438 3HD2 LEU 52 3HD2 LEU 52 16.420 2.659 -3.496 439 H HIS 53 H HIS 53 11.330 -0.183 -5.059 440 HA HIS 53 HA HIS 53 10.932 -0.471 -7.968 441 1HB HIS 53 2HB HIS 53 10.955 -2.691 -5.910 442 2HB HIS 53 1HB HIS 53 10.698 -2.890 -7.639 443 HD1 HIS 53 HD1 HIS 53 12.847 -2.226 -9.169 444 HD2 HIS 53 HD2 HIS 53 13.544 -2.824 -5.113 445 HE1 HIS 53 HE1 HIS 53 15.319 -2.620 -8.954 446 HE2 HIS 53 HE2 HIS 53 15.741 -2.703 -6.470 447 H LEU 54 H LEU 54 9.237 1.196 -6.810 448 HA LEU 54 HA LEU 54 6.768 -0.375 -6.523 449 1HB LEU 54 2HB LEU 54 7.532 2.114 -4.992 450 2HB LEU 54 1HB LEU 54 5.943 1.375 -4.960 451 HG LEU 54 HG LEU 54 8.479 0.043 -4.001 452 1HD1 LEU 54 1HD1 LEU 54 7.588 0.399 -1.761 453 2HD1 LEU 54 2HD1 LEU 54 6.224 1.289 -2.435 454 3HD1 LEU 54 3HD1 LEU 54 7.858 1.933 -2.589 455 1HD2 LEU 54 1HD2 LEU 54 5.584 -0.781 -3.769 456 2HD2 LEU 54 2HD2 LEU 54 6.956 -1.613 -3.039 457 3HD2 LEU 54 3HD2 LEU 54 6.801 -1.542 -4.794 458 H GLU 55 H GLU 55 5.271 0.152 -7.995 459 HA GLU 55 HA GLU 55 5.463 2.797 -9.274 460 1HB GLU 55 2HB GLU 55 4.357 0.198 -10.338 461 2HB GLU 55 1HB GLU 55 4.118 1.749 -11.128 462 1HG GLU 55 2HG GLU 55 6.665 1.930 -11.136 463 2HG GLU 55 1HG GLU 55 6.655 0.205 -10.757 464 HA PRO 56 HA PRO 56 1.511 3.681 -7.394 465 1HB PRO 56 2HB PRO 56 0.937 5.899 -8.867 466 2HB PRO 56 1HB PRO 56 2.072 5.906 -7.513 467 1HG PRO 56 2HG PRO 56 2.622 5.777 -10.448 468 2HG PRO 56 1HG PRO 56 3.466 6.697 -9.188 469 1HD PRO 56 2HD PRO 56 4.415 4.364 -10.200 470 2HD PRO 56 1HD PRO 56 4.719 4.884 -8.531 471 H THR 57 H THR 57 -0.463 2.928 -7.851 472 HA THR 57 HA THR 57 -0.972 2.040 -10.592 473 HB THR 57 HB THR 57 -2.778 0.657 -9.582 474 HG1 THR 57 HG1 THR 57 -1.714 1.632 -7.116 475 1HG2 THR 57 1HG2 THR 57 -0.076 0.304 -8.280 476 2HG2 THR 57 2HG2 THR 57 -0.525 -0.270 -9.886 477 3HG2 THR 57 3HG2 THR 57 -1.314 -0.939 -8.456 478 H ASP 58 H ASP 58 -3.479 1.901 -10.976 479 HA ASP 58 HA ASP 58 -4.469 4.504 -11.365 480 1HB ASP 58 2HB ASP 58 -5.193 2.830 -12.858 481 2HB ASP 58 1HB ASP 58 -5.665 1.748 -11.555 482 H LYS 59 H LYS 59 -4.753 2.307 -8.705 483 HA LYS 59 HA LYS 59 -7.158 3.585 -7.704 484 1HB LYS 59 2HB LYS 59 -5.555 1.249 -6.676 485 2HB LYS 59 1HB LYS 59 -6.949 1.905 -5.838 486 1HG LYS 59 2HG LYS 59 -7.711 0.028 -7.044 487 2HG LYS 59 1HG LYS 59 -8.288 1.448 -7.917 488 1HD LYS 59 2HD LYS 59 -6.366 1.216 -9.467 489 2HD LYS 59 1HD LYS 59 -5.903 -0.261 -8.624 490 1HE LYS 59 2HE LYS 59 -7.136 -0.799 -10.637 491 2HE LYS 59 1HE LYS 59 -8.071 -1.258 -9.215 492 1HZ LYS 59 1HZ LYS 59 -9.436 0.671 -9.473 493 2HZ LYS 59 2HZ LYS 59 -9.383 -0.136 -10.961 494 3HZ LYS 59 3HZ LYS 59 -8.460 1.272 -10.728 495 H LYS 60 H LYS 60 -7.295 4.906 -6.042 496 HA LYS 60 HA LYS 60 -5.049 5.451 -4.306 497 1HB LYS 60 2HB LYS 60 -4.461 6.899 -6.138 498 2HB LYS 60 1HB LYS 60 -6.113 7.483 -6.281 499 1HG LYS 60 2HG LYS 60 -5.861 8.463 -3.983 500 2HG LYS 60 1HG LYS 60 -4.149 8.051 -4.073 501 1HD LYS 60 2HD LYS 60 -3.857 9.478 -5.989 502 2HD LYS 60 1HD LYS 60 -5.593 9.791 -6.067 503 1HE LYS 60 2HE LYS 60 -5.457 10.823 -3.817 504 2HE LYS 60 1HE LYS 60 -3.707 10.607 -3.858 505 1HZ LYS 60 1HZ LYS 60 -4.480 12.852 -4.520 506 2HZ LYS 60 2HZ LYS 60 -5.234 12.168 -5.871 507 3HZ LYS 60 3HZ LYS 60 -3.542 12.081 -5.709 508 H ILE 61 H ILE 61 -5.811 5.900 -2.323 509 HA ILE 61 HA ILE 61 -8.616 6.644 -2.030 510 HB ILE 61 HB ILE 61 -8.221 6.423 0.411 511 1HG1 ILE 61 2HG1 ILE 61 -5.465 5.467 -0.415 512 2HG1 ILE 61 1HG1 ILE 61 -5.811 6.980 0.419 513 1HG2 ILE 61 1HG2 ILE 61 -9.070 4.533 -0.824 514 2HG2 ILE 61 2HG2 ILE 61 -7.949 3.966 0.412 515 3HG2 ILE 61 3HG2 ILE 61 -7.437 4.047 -1.273 516 1HD1 ILE 61 1HD1 ILE 61 -6.324 4.221 1.503 517 2HD1 ILE 61 2HD1 ILE 61 -6.627 5.740 2.346 518 3HD1 ILE 61 3HD1 ILE 61 -4.976 5.271 1.936 519 H ASP 62 H ASP 62 -9.258 8.676 -1.646 520 HA ASP 62 HA ASP 62 -7.329 10.768 -1.865 521 1HB ASP 62 2HB ASP 62 -9.644 10.896 -2.815 522 2HB ASP 62 1HB ASP 62 -10.262 11.026 -1.171 523 H ILE 63 H ILE 63 -6.052 11.279 -0.237 524 HA ILE 63 HA ILE 63 -7.143 11.731 2.416 525 HB ILE 63 HB ILE 63 -6.499 9.274 2.208 526 1HG1 ILE 63 2HG1 ILE 63 -4.951 10.810 4.298 527 2HG1 ILE 63 1HG1 ILE 63 -6.691 10.542 4.370 528 1HG2 ILE 63 1HG2 ILE 63 -3.730 10.452 2.134 529 2HG2 ILE 63 2HG2 ILE 63 -4.511 9.508 0.866 530 3HG2 ILE 63 3HG2 ILE 63 -4.103 8.750 2.405 531 1HD1 ILE 63 1HD1 ILE 63 -4.562 8.413 4.380 532 2HD1 ILE 63 2HD1 ILE 63 -6.302 8.129 4.417 533 3HD1 ILE 63 3HD1 ILE 63 -5.515 8.952 5.761 534 H GLN 64 H GLN 64 -5.276 12.520 3.888 535 HA GLN 64 HA GLN 64 -3.812 14.514 2.349 536 1HB GLN 64 2HB GLN 64 -3.424 15.427 4.765 537 2HB GLN 64 1HB GLN 64 -4.992 15.627 3.994 538 1HG GLN 64 2HG GLN 64 -5.826 13.668 5.215 539 2HG GLN 64 1HG GLN 64 -4.256 13.505 6.001 540 1HE2 GLN 64 1HE2 GLN 64 -5.318 13.711 8.007 541 2HE2 GLN 64 2HE2 GLN 64 -5.799 15.270 8.602 542 H LYS 65 H LYS 65 -1.685 15.212 3.470 543 HA LYS 65 HA LYS 65 0.105 12.996 3.123 544 1HB LYS 65 2HB LYS 65 0.639 15.218 2.265 545 2HB LYS 65 1HB LYS 65 0.593 15.883 3.890 546 1HG LYS 65 2HG LYS 65 2.515 14.425 4.478 547 2HG LYS 65 1HG LYS 65 2.598 13.935 2.782 548 1HD LYS 65 2HD LYS 65 4.182 15.732 3.221 549 2HD LYS 65 1HD LYS 65 2.906 16.290 2.135 550 1HE LYS 65 2HE LYS 65 1.736 17.214 4.165 551 2HE LYS 65 1HE LYS 65 3.196 16.850 5.083 552 1HZ LYS 65 1HZ LYS 65 4.435 18.293 3.529 553 2HZ LYS 65 2HZ LYS 65 3.236 19.129 4.393 554 3HZ LYS 65 3HZ LYS 65 2.967 18.709 2.775 555 HN2 GLY 66 H GLY 66 0.904 11.697 4.651 556 1HA GLY 66 2HA GLY 66 1.924 11.161 6.691 557 2HA GLY 66 1HA GLY 66 1.414 12.719 7.332 558 H ALA 67 H ALA 67 -0.227 9.900 5.938 559 HA ALA 67 HA ALA 67 -2.538 10.274 7.547 560 1HB ALA 67 1HB ALA 67 -1.740 7.858 5.940 561 2HB ALA 67 2HB ALA 67 -2.571 9.273 5.297 562 3HB ALA 67 3HB ALA 67 -3.359 8.264 6.508 563 H SER 68 H SER 68 -3.366 8.954 9.160 564 HA SER 68 HA SER 68 -1.337 7.446 10.659 565 1HB SER 68 2HB SER 68 -3.033 7.776 12.576 566 2HB SER 68 1HB SER 68 -2.112 9.183 12.045 567 HG SER 68 HG SER 68 -3.876 9.965 10.997 568 H ASP 69 H ASP 69 -2.120 5.534 11.837 569 HA ASP 69 HA ASP 69 -3.080 3.584 10.161 570 1HB ASP 69 2HB ASP 69 -1.908 3.231 12.341 571 2HB ASP 69 1HB ASP 69 -3.417 3.604 13.167 572 H GLU 70 H GLU 70 -4.980 5.257 12.665 573 HA GLU 70 HA GLU 70 -7.427 4.024 12.126 574 1HB GLU 70 2HB GLU 70 -6.612 6.586 13.453 575 2HB GLU 70 1HB GLU 70 -8.304 6.187 13.238 576 1HG GLU 70 2HG GLU 70 -6.363 4.355 14.600 577 2HG GLU 70 1HG GLU 70 -7.303 5.577 15.458 578 H GLU 71 H GLU 71 -5.966 6.964 10.853 579 HA GLU 71 HA GLU 71 -8.223 7.902 9.436 580 1HB GLU 71 2HB GLU 71 -6.310 9.310 10.060 581 2HB GLU 71 1HB GLU 71 -5.285 8.410 8.959 582 1HG GLU 71 2HG GLU 71 -6.553 9.215 7.065 583 2HG GLU 71 1HG GLU 71 -7.672 10.050 8.144 584 H VAL 72 H VAL 72 -5.476 5.867 8.519 585 HA VAL 72 HA VAL 72 -6.100 5.559 5.797 586 HB VAL 72 HB VAL 72 -4.761 3.584 7.666 587 1HG1 VAL 72 1HG1 VAL 72 -5.550 2.470 5.651 588 2HG1 VAL 72 2HG1 VAL 72 -3.793 2.622 5.615 589 3HG1 VAL 72 3HG1 VAL 72 -4.791 3.709 4.649 590 1HG2 VAL 72 1HG2 VAL 72 -2.674 4.470 6.746 591 2HG2 VAL 72 2HG2 VAL 72 -3.605 5.728 7.560 592 3HG2 VAL 72 3HG2 VAL 72 -3.590 5.641 5.798 593 H LYS 73 H LYS 73 -7.091 3.724 8.655 594 HA LYS 73 HA LYS 73 -8.614 1.761 7.345 595 1HB LYS 73 2HB LYS 73 -7.889 1.824 9.785 596 2HB LYS 73 1HB LYS 73 -9.230 2.921 10.062 597 1HG LYS 73 2HG LYS 73 -10.793 1.204 9.282 598 2HG LYS 73 1HG LYS 73 -9.444 0.099 9.030 599 1HD LYS 73 2HD LYS 73 -10.269 -0.536 11.109 600 2HD LYS 73 1HD LYS 73 -8.921 0.521 11.522 601 1HE LYS 73 2HE LYS 73 -11.771 1.470 11.343 602 2HE LYS 73 1HE LYS 73 -11.053 0.867 12.832 603 1HZ LYS 73 1HZ LYS 73 -9.976 3.162 11.286 604 2HZ LYS 73 2HZ LYS 73 -9.481 2.649 12.825 605 3HZ LYS 73 3HZ LYS 73 -11.028 3.318 12.604 606 H LYS 74 H LYS 74 -9.391 5.004 8.437 607 HA LYS 74 HA LYS 74 -12.181 4.890 7.986 608 1HB LYS 74 2HB LYS 74 -10.928 6.628 9.326 609 2HB LYS 74 1HB LYS 74 -10.456 7.357 7.801 610 1HG LYS 74 2HG LYS 74 -12.891 7.555 7.247 611 2HG LYS 74 1HG LYS 74 -13.233 7.058 8.907 612 1HD LYS 74 2HD LYS 74 -11.957 8.974 9.740 613 2HD LYS 74 1HD LYS 74 -11.615 9.466 8.078 614 1HE LYS 74 2HE LYS 74 -14.302 9.351 9.440 615 2HE LYS 74 1HE LYS 74 -13.434 10.790 8.901 616 1HZ LYS 74 1HZ LYS 74 -14.782 8.728 7.263 617 2HZ LYS 74 2HZ LYS 74 -13.589 9.734 6.597 618 3HZ LYS 74 3HZ LYS 74 -15.002 10.416 7.245 619 H LYS 75 H LYS 75 -9.500 6.091 5.985 620 HA LYS 75 HA LYS 75 -11.113 6.811 3.769 621 1HB LYS 75 2HB LYS 75 -8.230 6.546 4.305 622 2HB LYS 75 1HB LYS 75 -8.692 6.298 2.628 623 1HG LYS 75 2HG LYS 75 -8.072 8.625 3.101 624 2HG LYS 75 1HG LYS 75 -9.736 8.471 2.545 625 1HD LYS 75 2HD LYS 75 -10.518 8.615 4.869 626 2HD LYS 75 1HD LYS 75 -8.848 8.788 5.413 627 1HE LYS 75 2HE LYS 75 -10.019 10.950 5.284 628 2HE LYS 75 1HE LYS 75 -8.633 10.872 4.197 629 1HZ LYS 75 1HZ LYS 75 -11.425 10.348 3.314 630 2HZ LYS 75 2HZ LYS 75 -10.053 10.584 2.341 631 3HZ LYS 75 3HZ LYS 75 -10.688 11.873 3.231 632 H LEU 76 H LEU 76 -9.648 3.803 4.764 633 HA LEU 76 HA LEU 76 -10.059 2.338 2.388 634 1HB LEU 76 2HB LEU 76 -8.685 1.567 4.308 635 2HB LEU 76 1HB LEU 76 -10.150 1.344 5.242 636 HG LEU 76 HG LEU 76 -10.896 -0.361 3.575 637 1HD1 LEU 76 1HD1 LEU 76 -9.269 -1.272 2.014 638 2HD1 LEU 76 2HD1 LEU 76 -8.091 -0.057 2.508 639 3HD1 LEU 76 3HD1 LEU 76 -9.566 0.435 1.673 640 1HD2 LEU 76 1HD2 LEU 76 -9.833 -1.022 5.661 641 2HD2 LEU 76 2HD2 LEU 76 -8.242 -0.872 4.911 642 3HD2 LEU 76 3HD2 LEU 76 -9.369 -2.110 4.351 643 H GLU 77 H GLU 77 -12.115 3.133 5.107 644 HA GLU 77 HA GLU 77 -14.395 1.624 4.316 645 1HB GLU 77 2HB GLU 77 -14.213 2.378 6.594 646 2HB GLU 77 1HB GLU 77 -14.061 4.049 6.087 647 1HG GLU 77 2HG GLU 77 -16.356 3.995 5.240 648 2HG GLU 77 1HG GLU 77 -16.512 2.330 5.794 649 H GLU 78 H GLU 78 -13.541 5.044 4.025 650 HA GLU 78 HA GLU 78 -15.786 6.008 2.732 651 1HB GLU 78 2HB GLU 78 -12.900 6.851 2.459 652 2HB GLU 78 1HB GLU 78 -14.238 7.758 1.767 653 1HG GLU 78 2HG GLU 78 -15.157 8.147 3.967 654 2HG GLU 78 1HG GLU 78 -13.908 7.138 4.693 655 H SER 79 H SER 79 -12.955 4.449 1.298 656 HA SER 79 HA SER 79 -14.016 4.796 -1.374 657 1HB SER 79 2HB SER 79 -11.539 3.297 -0.507 658 2HB SER 79 1HB SER 79 -11.905 3.937 -2.104 659 HG SER 79 HG SER 79 -11.242 5.337 0.251 660 H ASN 80 H ASN 80 -14.279 2.564 1.128 661 HA ASN 80 HA ASN 80 -14.569 0.318 1.340 662 1HB ASN 80 2HB ASN 80 -16.801 1.117 0.513 663 2HB ASN 80 1HB ASN 80 -16.308 0.655 -1.114 664 1HD2 ASN 80 1HD2 ASN 80 -16.236 -1.504 -1.670 665 2HD2 ASN 80 2HD2 ASN 80 -16.877 -2.753 -0.661 666 H LEU 81 H LEU 81 -12.291 0.159 0.708 667 HA LEU 81 HA LEU 81 -11.930 -1.149 -1.914 668 1HB LEU 81 2HB LEU 81 -10.796 1.106 -1.392 669 2HB LEU 81 1HB LEU 81 -9.765 0.195 -0.309 670 HG LEU 81 HG LEU 81 -9.047 -1.197 -2.253 671 1HD1 LEU 81 1HD1 LEU 81 -9.492 -0.345 -4.505 672 2HD1 LEU 81 2HD1 LEU 81 -10.574 0.871 -3.826 673 3HD1 LEU 81 3HD1 LEU 81 -10.978 -0.840 -3.693 674 1HD2 LEU 81 1HD2 LEU 81 -7.697 0.659 -1.448 675 2HD2 LEU 81 2HD2 LEU 81 -8.600 1.774 -2.479 676 3HD2 LEU 81 3HD2 LEU 81 -7.591 0.520 -3.204 677 H THR 82 H THR 82 -12.636 -2.183 0.841 678 HA THR 82 HA THR 82 -10.510 -3.444 2.107 679 HB THR 82 HB THR 82 -13.315 -4.555 1.978 680 HG1 THR 82 HG1 THR 82 -12.614 -2.728 3.972 681 1HG2 THR 82 1HG2 THR 82 -11.219 -4.528 4.153 682 2HG2 THR 82 2HG2 THR 82 -11.675 -5.921 3.171 683 3HG2 THR 82 3HG2 THR 82 -12.837 -5.215 4.295 684 H GLU 83 H GLU 83 -12.779 -4.835 -0.275 685 HA GLU 83 HA GLU 83 -11.630 -7.392 -0.310 686 1HB GLU 83 2HB GLU 83 -13.503 -5.884 -2.082 687 2HB GLU 83 1HB GLU 83 -12.838 -7.404 -2.646 688 1HG GLU 83 2HG GLU 83 -15.045 -7.643 -1.583 689 2HG GLU 83 1HG GLU 83 -13.787 -8.585 -0.787 690 H TYR 84 H TYR 84 -10.864 -4.474 -2.076 691 HA TYR 84 HA TYR 84 -9.373 -5.706 -4.150 692 1HB TYR 84 2HB TYR 84 -10.281 -3.426 -4.339 693 2HB TYR 84 1HB TYR 84 -9.182 -2.883 -3.077 694 HD1 TYR 84 HD2 TYR 84 -9.232 -4.395 -6.478 695 HD2 TYR 84 HD1 TYR 84 -7.048 -2.107 -3.632 696 HE1 TYR 84 HE2 TYR 84 -7.523 -3.918 -8.183 697 HE2 TYR 84 HE1 TYR 84 -5.332 -1.622 -5.325 698 HH TYR 84 HH TYR 84 -4.489 -2.510 -7.410 699 H MET 85 H MET 85 -8.584 -4.727 -0.896 700 HA MET 85 HA MET 85 -5.753 -5.238 -1.351 701 1HB MET 85 2HB MET 85 -7.358 -4.020 0.854 702 2HB MET 85 1HB MET 85 -5.772 -4.678 1.210 703 1HG MET 85 2HG MET 85 -6.405 -2.525 -0.784 704 2HG MET 85 1HG MET 85 -5.628 -2.310 0.782 705 1HE MET 85 1HE MET 85 -2.657 -1.592 -1.613 706 2HE MET 85 2HE MET 85 -3.589 -1.032 -0.222 707 3HE MET 85 3HE MET 85 -4.344 -1.119 -1.811 708 H LYS 86 H LYS 86 -8.551 -6.847 -0.336 709 HA LYS 86 HA LYS 86 -7.280 -8.687 1.467 710 1HB LYS 86 2HB LYS 86 -9.663 -8.077 1.690 711 2HB LYS 86 1HB LYS 86 -9.989 -8.822 0.132 712 1HG LYS 86 2HG LYS 86 -9.483 -10.992 0.975 713 2HG LYS 86 1HG LYS 86 -8.881 -10.321 2.491 714 1HD LYS 86 2HD LYS 86 -11.126 -11.249 2.755 715 2HD LYS 86 1HD LYS 86 -11.116 -9.506 3.030 716 1HE LYS 86 2HE LYS 86 -11.956 -9.148 0.759 717 2HE LYS 86 1HE LYS 86 -11.962 -10.890 0.485 718 1HZ LYS 86 1HZ LYS 86 -14.160 -10.100 1.063 719 2HZ LYS 86 2HZ LYS 86 -13.582 -9.445 2.513 720 3HZ LYS 86 3HZ LYS 86 -13.571 -11.125 2.279 721 H GLU 87 H GLU 87 -8.433 -8.793 -1.901 722 HA GLU 87 HA GLU 87 -7.499 -11.465 -2.306 723 1HB GLU 87 2HB GLU 87 -8.069 -11.072 -4.644 724 2HB GLU 87 1HB GLU 87 -9.376 -10.560 -3.596 725 1HG GLU 87 2HG GLU 87 -8.798 -8.261 -3.894 726 2HG GLU 87 1HG GLU 87 -7.336 -8.695 -4.782 727 H LYS 88 H LYS 88 -5.730 -12.083 -3.650 728 HA LYS 88 HA LYS 88 -3.528 -10.149 -3.515 729 1HB LYS 88 2HB LYS 88 -2.035 -12.043 -3.603 730 2HB LYS 88 1HB LYS 88 -3.252 -12.344 -2.369 731 1HG LYS 88 2HG LYS 88 -4.473 -13.784 -3.921 732 2HG LYS 88 1HG LYS 88 -3.256 -13.481 -5.161 733 1HD LYS 88 2HD LYS 88 -2.771 -15.590 -4.156 734 2HD LYS 88 1HD LYS 88 -1.550 -14.441 -3.609 735 1HE LYS 88 2HE LYS 88 -2.753 -14.160 -1.502 736 2HE LYS 88 1HE LYS 88 -3.996 -15.279 -2.054 737 1HZ LYS 88 1HZ LYS 88 -2.209 -16.979 -2.250 738 2HZ LYS 88 2HZ LYS 88 -2.516 -16.473 -0.659 739 3HZ LYS 88 3HZ LYS 88 -1.150 -15.896 -1.482 740 H ILE 89 H ILE 89 -1.926 -10.236 -5.287 741 HA ILE 89 HA ILE 89 -3.189 -10.763 -7.893 742 HB ILE 89 HB ILE 89 -0.814 -8.976 -7.332 743 1HG1 ILE 89 2HG1 ILE 89 -3.687 -8.210 -7.903 744 2HG1 ILE 89 1HG1 ILE 89 -2.892 -8.076 -6.338 745 1HG2 ILE 89 1HG2 ILE 89 -0.854 -9.929 -9.586 746 2HG2 ILE 89 2HG2 ILE 89 -1.143 -8.191 -9.621 747 3HG2 ILE 89 3HG2 ILE 89 -2.488 -9.313 -9.817 748 1HD1 ILE 89 1HD1 ILE 89 -2.117 -6.593 -8.838 749 2HD1 ILE 89 2HD1 ILE 89 -1.336 -6.449 -7.264 750 3HD1 ILE 89 3HD1 ILE 89 -3.009 -5.930 -7.470 751 H LYS 90 H LYS 90 -2.122 -12.057 -9.345 752 HA LYS 90 HA LYS 90 -0.836 -13.772 -10.064 753 1HB LYS 90 2HB LYS 90 1.184 -12.545 -8.184 754 2HB LYS 90 1HB LYS 90 1.540 -13.915 -9.227 755 1HG LYS 90 2HG LYS 90 0.677 -11.175 -10.140 756 2HG LYS 90 1HG LYS 90 2.314 -11.838 -10.217 757 1HD LYS 90 2HD LYS 90 1.559 -13.590 -11.715 758 2HD LYS 90 1HD LYS 90 -0.099 -12.998 -11.601 759 1HE LYS 90 2HE LYS 90 0.562 -10.901 -12.638 760 2HE LYS 90 1HE LYS 90 2.236 -11.451 -12.711 761 1HZ LYS 90 1HZ LYS 90 1.517 -13.272 -14.155 762 2HZ LYS 90 2HZ LYS 90 1.153 -11.763 -14.836 763 3HZ LYS 90 3HZ LYS 90 -0.075 -12.685 -14.115 764 H ILE 91 H ILE 91 0.529 -15.718 -9.151 765 HA ILE 91 HA ILE 91 0.213 -17.756 -8.197 766 HB ILE 91 HB ILE 91 1.742 -16.519 -6.642 767 1HG1 ILE 91 2HG1 ILE 91 1.593 -18.204 -4.826 768 2HG1 ILE 91 1HG1 ILE 91 0.022 -18.698 -5.446 769 1HG2 ILE 91 1HG2 ILE 91 0.181 -14.940 -5.682 770 2HG2 ILE 91 2HG2 ILE 91 0.942 -15.907 -4.421 771 3HG2 ILE 91 3HG2 ILE 91 -0.713 -16.255 -4.921 772 1HD1 ILE 91 1HD1 ILE 91 1.763 -20.219 -6.165 773 2HD1 ILE 91 2HD1 ILE 91 2.640 -18.885 -6.916 774 3HD1 ILE 91 3HD1 ILE 91 1.066 -19.372 -7.547 775 H ARG 92 H ARG 92 -2.220 -16.606 -8.947 776 HA ARG 92 HA ARG 92 -4.085 -17.457 -6.838 777 1HB ARG 92 2HB ARG 92 -4.132 -15.099 -7.956 778 2HB ARG 92 1HB ARG 92 -4.840 -15.938 -9.324 779 1HG ARG 92 2HG ARG 92 -6.737 -16.600 -8.026 780 2HG ARG 92 1HG ARG 92 -5.993 -15.985 -6.545 781 1HD ARG 92 2HD ARG 92 -5.977 -13.721 -7.549 782 2HD ARG 92 1HD ARG 92 -6.834 -14.367 -8.946 783 HE ARG 92 HE ARG 92 -8.488 -15.051 -6.961 784 1HH1 ARG 92 1HH1 ARG 92 -6.819 -12.037 -7.585 785 2HH1 ARG 92 2HH1 ARG 92 -8.088 -11.036 -6.944 786 1HH2 ARG 92 1HH2 ARG 92 -10.162 -13.741 -6.084 787 2HH2 ARG 92 2HH2 ARG 92 -9.986 -12.014 -6.080 788 H MET 93 H MET 93 -4.151 -19.656 -7.186 789 HA MET 93 HA MET 93 -4.442 -20.602 -9.957 790 1HB MET 93 2HB MET 93 -3.430 -22.055 -7.504 791 2HB MET 93 1HB MET 93 -3.546 -22.746 -9.114 792 1HG MET 93 2HG MET 93 -1.834 -20.380 -8.388 793 2HG MET 93 1HG MET 93 -1.263 -22.046 -8.485 794 1HE MET 93 1HE MET 93 -1.209 -23.463 -10.732 795 2HE MET 93 2HE MET 93 -1.768 -22.846 -12.289 796 3HE MET 93 3HE MET 93 -2.923 -23.135 -10.987 797 HA PRO 94 HA PRO 94 -8.423 -22.378 -8.939 798 1HB PRO 94 2HB PRO 94 -8.470 -24.383 -10.777 799 2HB PRO 94 1HB PRO 94 -8.760 -22.691 -11.197 800 1HG PRO 94 2HG PRO 94 -6.268 -24.318 -11.490 801 2HG PRO 94 1HG PRO 94 -6.984 -23.151 -12.617 802 1HD PRO 94 2HD PRO 94 -4.889 -22.535 -11.006 803 2HD PRO 94 1HD PRO 94 -6.105 -21.339 -11.501 804 H THR 95 H THR 95 -8.883 -23.705 -7.311 805 HA THR 95 HA THR 95 -8.951 -25.528 -5.950 806 HB THR 95 HB THR 95 -6.842 -26.828 -7.690 807 HG1 THR 95 HG1 THR 95 -9.332 -26.184 -8.319 808 1HG2 THR 95 1HG2 THR 95 -7.129 -27.904 -5.510 809 2HG2 THR 95 2HG2 THR 95 -7.767 -28.924 -6.798 810 3HG2 THR 95 3HG2 THR 95 -8.872 -28.002 -5.779 811 H LEU 96 H LEU 96 -6.239 -23.684 -6.636 812 HA LEU 96 HA LEU 96 -5.019 -24.421 -4.062 813 1HB LEU 96 2HB LEU 96 -3.617 -23.409 -6.543 814 2HB LEU 96 1HB LEU 96 -2.850 -23.678 -4.990 815 HG LEU 96 HG LEU 96 -4.116 -25.832 -6.686 816 1HD1 LEU 96 1HD1 LEU 96 -2.092 -24.896 -7.702 817 2HD1 LEU 96 2HD1 LEU 96 -1.843 -26.551 -7.143 818 3HD1 LEU 96 3HD1 LEU 96 -1.210 -25.195 -6.205 819 1HD2 LEU 96 1HD2 LEU 96 -4.205 -26.361 -4.319 820 2HD2 LEU 96 2HD2 LEU 96 -2.491 -25.984 -4.150 821 3HD2 LEU 96 3HD2 LEU 96 -2.999 -27.364 -5.122 Start of MODEL 11 1 1H MET 1 1H MET 1 1.594 17.050 -8.585 2 2H MET 1 2H MET 1 2.916 17.582 -7.665 3 3H MET 1 3H MET 1 1.919 16.340 -7.080 4 HA MET 1 HA MET 1 3.621 16.179 -9.497 5 1HB MET 1 2HB MET 1 4.952 16.209 -7.448 6 2HB MET 1 1HB MET 1 3.933 14.964 -6.739 7 1HG MET 1 2HG MET 1 6.005 14.006 -7.492 8 2HG MET 1 1HG MET 1 4.672 13.392 -8.470 9 1HE MET 1 1HE MET 1 6.364 12.496 -10.304 10 2HE MET 1 2HE MET 1 7.703 13.067 -9.311 11 3HE MET 1 3HE MET 1 7.630 13.488 -11.024 12 HA PRO 2 HA PRO 2 0.639 12.917 -10.440 13 1HB PRO 2 2HB PRO 2 2.055 11.987 -12.611 14 2HB PRO 2 1HB PRO 2 0.897 13.319 -12.677 15 1HG PRO 2 2HG PRO 2 3.878 13.402 -12.515 16 2HG PRO 2 1HG PRO 2 2.777 14.425 -13.455 17 1HD PRO 2 2HD PRO 2 3.910 15.268 -11.159 18 2HD PRO 2 1HD PRO 2 2.273 15.765 -11.639 19 H ALA 3 H ALA 3 0.648 11.058 -9.385 20 HA ALA 3 HA ALA 3 1.255 9.124 -8.413 21 1HB ALA 3 1HB ALA 3 3.217 7.899 -9.163 22 2HB ALA 3 2HB ALA 3 3.794 9.319 -10.032 23 3HB ALA 3 3HB ALA 3 2.309 8.516 -10.543 24 H ILE 4 H ILE 4 3.275 8.187 -7.121 25 HA ILE 4 HA ILE 4 4.045 8.379 -4.987 26 HB ILE 4 HB ILE 4 6.031 8.587 -6.362 27 1HG1 ILE 4 2HG1 ILE 4 7.519 9.609 -4.696 28 2HG1 ILE 4 1HG1 ILE 4 6.124 10.343 -3.908 29 1HG2 ILE 4 1HG2 ILE 4 5.678 11.568 -6.147 30 2HG2 ILE 4 2HG2 ILE 4 5.534 10.595 -7.611 31 3HG2 ILE 4 3HG2 ILE 4 7.093 10.742 -6.798 32 1HD1 ILE 4 1HD1 ILE 4 5.258 8.136 -3.373 33 2HD1 ILE 4 2HD1 ILE 4 6.885 8.347 -2.735 34 3HD1 ILE 4 3HD1 ILE 4 6.627 7.384 -4.191 35 H GLU 5 H GLU 5 1.895 9.406 -4.565 36 HA GLU 5 HA GLU 5 2.262 12.063 -3.358 37 1HB GLU 5 2HB GLU 5 -0.079 12.568 -3.945 38 2HB GLU 5 1HB GLU 5 0.889 12.257 -5.381 39 1HG GLU 5 2HG GLU 5 0.007 10.005 -5.521 40 2HG GLU 5 1HG GLU 5 -0.930 10.263 -4.052 41 H VAL 6 H VAL 6 0.662 12.469 -1.593 42 HA VAL 6 HA VAL 6 0.647 10.302 0.233 43 HB VAL 6 HB VAL 6 -0.709 11.785 1.691 44 1HG1 VAL 6 1HG1 VAL 6 1.730 13.049 0.449 45 2HG1 VAL 6 2HG1 VAL 6 1.719 11.865 1.757 46 3HG1 VAL 6 3HG1 VAL 6 1.038 13.471 2.017 47 1HG2 VAL 6 1HG2 VAL 6 -1.968 12.957 -0.045 48 2HG2 VAL 6 2HG2 VAL 6 -0.487 13.742 -0.590 49 3HG2 VAL 6 3HG2 VAL 6 -1.126 14.085 1.016 50 HN2 GLY 7 H GLY 7 -0.849 8.798 0.646 51 1HA GLY 7 2HA GLY 7 -2.970 7.846 0.796 52 2HA GLY 7 1HA GLY 7 -3.636 9.251 -0.023 53 H ARG 8 H ARG 8 -0.985 8.031 -1.707 54 HA ARG 8 HA ARG 8 -2.756 6.861 -3.703 55 1HB ARG 8 2HB ARG 8 -0.799 8.433 -4.235 56 2HB ARG 8 1HB ARG 8 0.252 7.074 -3.858 57 1HG ARG 8 2HG ARG 8 0.039 7.005 -6.171 58 2HG ARG 8 1HG ARG 8 -1.095 5.779 -5.604 59 1HD ARG 8 2HD ARG 8 -2.917 7.456 -5.790 60 2HD ARG 8 1HD ARG 8 -1.758 8.586 -6.486 61 HE ARG 8 HE ARG 8 -2.323 5.989 -7.758 62 1HH1 ARG 8 1HH1 ARG 8 -2.087 9.504 -7.944 63 2HH1 ARG 8 2HH1 ARG 8 -2.381 9.533 -9.663 64 1HH2 ARG 8 1HH2 ARG 8 -2.734 6.061 -9.978 65 2HH2 ARG 8 2HH2 ARG 8 -2.801 7.590 -10.806 66 H ILE 9 H ILE 9 -3.088 4.720 -3.877 67 HA ILE 9 HA ILE 9 -1.722 2.902 -2.118 68 HB ILE 9 HB ILE 9 -3.831 2.456 -4.240 69 1HG1 ILE 9 2HG1 ILE 9 -5.153 1.719 -2.181 70 2HG1 ILE 9 1HG1 ILE 9 -3.862 2.428 -1.219 71 1HG2 ILE 9 1HG2 ILE 9 -2.566 0.412 -2.424 72 2HG2 ILE 9 2HG2 ILE 9 -2.420 0.491 -4.180 73 3HG2 ILE 9 3HG2 ILE 9 -3.981 0.137 -3.440 74 1HD1 ILE 9 1HD1 ILE 9 -4.315 4.603 -2.237 75 2HD1 ILE 9 2HD1 ILE 9 -5.735 3.945 -1.425 76 3HD1 ILE 9 3HD1 ILE 9 -5.618 3.884 -3.184 77 H CYS 10 H CYS 10 0.019 1.730 -2.571 78 HA CYS 10 HA CYS 10 0.879 1.546 -5.379 79 1HB CYS 10 2HB CYS 10 3.240 1.547 -4.416 80 2HB CYS 10 1HB CYS 10 2.377 3.082 -4.384 81 HG CYS 10 HG CYS 10 1.554 2.039 -1.580 82 H VAL 11 H VAL 11 2.119 -0.334 -5.931 83 HA VAL 11 HA VAL 11 1.550 -2.621 -4.161 84 HB VAL 11 HB VAL 11 0.080 -2.535 -6.160 85 1HG1 VAL 11 1HG1 VAL 11 1.536 -1.490 -7.758 86 2HG1 VAL 11 2HG1 VAL 11 1.040 -3.069 -8.369 87 3HG1 VAL 11 3HG1 VAL 11 2.654 -2.855 -7.690 88 1HG2 VAL 11 1HG2 VAL 11 0.395 -4.854 -6.845 89 2HG2 VAL 11 2HG2 VAL 11 0.574 -4.662 -5.101 90 3HG2 VAL 11 3HG2 VAL 11 2.002 -4.852 -6.117 91 H LYS 12 H LYS 12 3.041 -4.338 -4.191 92 HA LYS 12 HA LYS 12 5.773 -3.527 -4.522 93 1HB LYS 12 2HB LYS 12 4.562 -6.196 -3.779 94 2HB LYS 12 1HB LYS 12 6.277 -5.823 -3.702 95 1HG LYS 12 2HG LYS 12 4.159 -4.352 -2.151 96 2HG LYS 12 1HG LYS 12 5.082 -5.718 -1.521 97 1HD LYS 12 2HD LYS 12 6.334 -3.177 -2.558 98 2HD LYS 12 1HD LYS 12 5.949 -3.461 -0.858 99 1HE LYS 12 2HE LYS 12 7.378 -5.508 -0.964 100 2HE LYS 12 1HE LYS 12 7.867 -5.018 -2.585 101 1HZ LYS 12 1HZ LYS 12 9.459 -4.345 -0.873 102 2HZ LYS 12 2HZ LYS 12 8.264 -3.397 -0.126 103 3HZ LYS 12 3HZ LYS 12 8.808 -3.008 -1.684 104 H VAL 13 H VAL 13 6.710 -3.499 -6.462 105 HA VAL 13 HA VAL 13 5.865 -5.460 -8.483 106 HB VAL 13 HB VAL 13 7.512 -2.972 -8.973 107 1HG1 VAL 13 1HG1 VAL 13 7.612 -4.592 -10.768 108 2HG1 VAL 13 2HG1 VAL 13 6.633 -3.216 -11.275 109 3HG1 VAL 13 3HG1 VAL 13 5.853 -4.721 -10.791 110 1HG2 VAL 13 1HG2 VAL 13 5.429 -1.873 -9.664 111 2HG2 VAL 13 2HG2 VAL 13 5.414 -2.294 -7.951 112 3HG2 VAL 13 3HG2 VAL 13 4.514 -3.275 -9.108 113 H LYS 14 H LYS 14 7.431 -6.474 -6.535 114 HA LYS 14 HA LYS 14 10.152 -6.555 -7.616 115 1HB LYS 14 2HB LYS 14 9.686 -6.190 -5.134 116 2HB LYS 14 1HB LYS 14 9.168 -7.868 -5.085 117 1HG LYS 14 2HG LYS 14 11.367 -8.607 -5.766 118 2HG LYS 14 1HG LYS 14 11.901 -6.933 -5.937 119 1HD LYS 14 2HD LYS 14 11.446 -6.587 -3.529 120 2HD LYS 14 1HD LYS 14 11.035 -8.297 -3.391 121 1HE LYS 14 2HE LYS 14 13.702 -7.162 -4.220 122 2HE LYS 14 1HE LYS 14 13.319 -7.886 -2.658 123 1HZ LYS 14 1HZ LYS 14 13.529 -9.209 -5.294 124 2HZ LYS 14 2HZ LYS 14 12.723 -9.943 -3.999 125 3HZ LYS 14 3HZ LYS 14 14.371 -9.564 -3.862 126 HN2 GLY 15 H GLY 15 10.903 -8.300 -8.689 127 1HA GLY 15 2HA GLY 15 10.959 -10.493 -9.492 128 2HA GLY 15 1HA GLY 15 9.499 -10.846 -8.568 129 H ARG 16 H ARG 16 7.604 -9.356 -9.357 130 HA ARG 16 HA ARG 16 7.525 -8.552 -12.069 131 1HB ARG 16 2HB ARG 16 7.419 -11.077 -12.311 132 2HB ARG 16 1HB ARG 16 5.884 -11.021 -11.458 133 1HG ARG 16 2HG ARG 16 5.531 -11.135 -13.853 134 2HG ARG 16 1HG ARG 16 4.959 -9.592 -13.216 135 1HD ARG 16 2HD ARG 16 6.970 -8.491 -13.985 136 2HD ARG 16 1HD ARG 16 7.640 -10.029 -14.525 137 HE ARG 16 HE ARG 16 5.148 -9.540 -15.793 138 1HH1 ARG 16 1HH1 ARG 16 8.473 -8.423 -15.793 139 2HH1 ARG 16 2HH1 ARG 16 8.476 -8.019 -17.485 140 1HH2 ARG 16 1HH2 ARG 16 5.122 -8.986 -17.996 141 2HH2 ARG 16 2HH2 ARG 16 6.550 -8.326 -18.745 142 H GLU 17 H GLU 17 5.330 -10.026 -9.689 143 HA GLU 17 HA GLU 17 4.241 -7.459 -8.984 144 1HB GLU 17 2HB GLU 17 2.913 -8.106 -11.023 145 2HB GLU 17 1HB GLU 17 2.372 -9.536 -10.154 146 1HG GLU 17 2HG GLU 17 1.361 -8.084 -8.437 147 2HG GLU 17 1HG GLU 17 1.841 -6.675 -9.384 148 H ALA 18 H ALA 18 3.944 -7.528 -6.853 149 HA ALA 18 HA ALA 18 3.321 -10.122 -5.607 150 1HB ALA 18 1HB ALA 18 5.525 -9.295 -4.956 151 2HB ALA 18 2HB ALA 18 4.416 -9.302 -3.584 152 3HB ALA 18 3HB ALA 18 4.799 -7.787 -4.401 153 HN2 GLY 19 H GLY 19 1.511 -10.244 -4.391 154 1HA GLY 19 2HA GLY 19 -0.392 -8.126 -4.682 155 2HA GLY 19 1HA GLY 19 -0.659 -9.663 -3.879 156 H SER 20 H SER 20 1.882 -7.413 -3.003 157 HA SER 20 HA SER 20 0.522 -6.953 -0.441 158 1HB SER 20 2HB SER 20 3.415 -6.436 -1.181 159 2HB SER 20 1HB SER 20 2.711 -6.362 0.433 160 HG SER 20 HG SER 20 2.110 -8.733 -0.484 161 H LYS 21 H LYS 21 -0.573 -5.102 -0.337 162 HA LYS 21 HA LYS 21 0.239 -2.887 -2.084 163 1HB LYS 21 2HB LYS 21 -2.421 -3.364 -0.722 164 2HB LYS 21 1HB LYS 21 -2.048 -2.019 -1.789 165 1HG LYS 21 2HG LYS 21 -3.200 -3.461 -3.170 166 2HG LYS 21 1HG LYS 21 -1.519 -3.850 -3.534 167 1HD LYS 21 2HD LYS 21 -1.649 -5.749 -1.968 168 2HD LYS 21 1HD LYS 21 -3.347 -5.376 -1.678 169 1HE LYS 21 2HE LYS 21 -2.120 -6.151 -4.322 170 2HE LYS 21 1HE LYS 21 -3.096 -7.195 -3.290 171 1HZ LYS 21 1HZ LYS 21 -4.961 -5.669 -3.597 172 2HZ LYS 21 2HZ LYS 21 -4.414 -6.288 -5.076 173 3HZ LYS 21 3HZ LYS 21 -4.017 -4.708 -4.625 174 H CYS 22 H CYS 22 0.566 -0.845 -1.281 175 HA CYS 22 HA CYS 22 0.261 -0.430 1.607 176 1HB CYS 22 2HB CYS 22 2.770 0.214 0.043 177 2HB CYS 22 1HB CYS 22 2.487 0.620 1.732 178 HG CYS 22 HG CYS 22 2.010 -2.585 1.404 179 H VAL 23 H VAL 23 0.162 1.829 2.197 180 HA VAL 23 HA VAL 23 -0.681 3.531 -0.052 181 HB VAL 23 HB VAL 23 -1.286 3.841 2.897 182 1HG1 VAL 23 1HG1 VAL 23 -1.275 5.983 1.782 183 2HG1 VAL 23 2HG1 VAL 23 -2.939 5.518 2.132 184 3HG1 VAL 23 3HG1 VAL 23 -2.304 5.358 0.494 185 1HG2 VAL 23 1HG2 VAL 23 -2.409 1.890 1.982 186 2HG2 VAL 23 2HG2 VAL 23 -3.054 2.863 0.658 187 3HG2 VAL 23 3HG2 VAL 23 -3.570 3.177 2.315 188 H ILE 24 H ILE 24 0.554 5.234 -0.587 189 HA ILE 24 HA ILE 24 3.001 5.778 0.756 190 HB ILE 24 HB ILE 24 1.580 7.492 -1.291 191 1HG1 ILE 24 2HG1 ILE 24 3.685 5.361 -1.720 192 2HG1 ILE 24 1HG1 ILE 24 1.969 5.142 -2.031 193 1HG2 ILE 24 1HG2 ILE 24 4.486 7.367 -0.491 194 2HG2 ILE 24 2HG2 ILE 24 3.356 8.654 -0.072 195 3HG2 ILE 24 3HG2 ILE 24 3.805 8.389 -1.759 196 1HD1 ILE 24 1HD1 ILE 24 2.054 6.897 -3.721 197 2HD1 ILE 24 2HD1 ILE 24 3.188 5.593 -4.077 198 3HD1 ILE 24 3HD1 ILE 24 3.773 7.113 -3.405 199 H VAL 25 H VAL 25 3.260 6.925 2.568 200 HA VAL 25 HA VAL 25 1.123 8.803 3.323 201 HB VAL 25 HB VAL 25 3.022 7.306 5.123 202 1HG1 VAL 25 1HG1 VAL 25 0.703 9.094 5.838 203 2HG1 VAL 25 2HG1 VAL 25 2.409 9.501 6.026 204 3HG1 VAL 25 3HG1 VAL 25 1.706 8.187 6.969 205 1HG2 VAL 25 1HG2 VAL 25 1.025 6.079 5.853 206 2HG2 VAL 25 2HG2 VAL 25 1.354 5.836 4.137 207 3HG2 VAL 25 3HG2 VAL 25 0.070 6.933 4.641 208 H ASP 26 H ASP 26 4.649 8.312 3.529 209 HA ASP 26 HA ASP 26 4.922 11.239 3.648 210 1HB ASP 26 2HB ASP 26 5.246 10.498 5.909 211 2HB ASP 26 1HB ASP 26 6.331 9.213 5.391 212 H ILE 27 H ILE 27 6.098 11.966 2.028 213 HA ILE 27 HA ILE 27 7.989 10.210 0.687 214 HB ILE 27 HB ILE 27 7.128 13.045 0.046 215 1HG1 ILE 27 2HG1 ILE 27 6.293 11.853 -2.068 216 2HG1 ILE 27 1HG1 ILE 27 6.509 10.355 -1.172 217 1HG2 ILE 27 1HG2 ILE 27 9.441 12.754 -0.602 218 2HG2 ILE 27 2HG2 ILE 27 8.415 12.792 -2.035 219 3HG2 ILE 27 3HG2 ILE 27 9.044 11.256 -1.440 220 1HD1 ILE 27 1HD1 ILE 27 4.201 11.110 -1.122 221 2HD1 ILE 27 2HD1 ILE 27 4.704 12.635 -0.394 222 3HD1 ILE 27 3HD1 ILE 27 4.903 11.125 0.495 223 H ILE 28 H ILE 28 9.680 9.942 2.034 224 HA ILE 28 HA ILE 28 10.806 12.021 3.632 225 HB ILE 28 HB ILE 28 12.089 9.390 2.875 226 1HG1 ILE 28 2HG1 ILE 28 10.282 9.997 5.227 227 2HG1 ILE 28 1HG1 ILE 28 9.813 9.067 3.809 228 1HG2 ILE 28 1HG2 ILE 28 13.596 11.012 3.907 229 2HG2 ILE 28 2HG2 ILE 28 13.290 9.655 4.989 230 3HG2 ILE 28 3HG2 ILE 28 12.480 11.197 5.259 231 1HD1 ILE 28 1HD1 ILE 28 11.496 7.385 4.361 232 2HD1 ILE 28 2HD1 ILE 28 10.345 7.620 5.679 233 3HD1 ILE 28 3HD1 ILE 28 11.961 8.321 5.783 234 H ASP 29 H ASP 29 11.886 10.281 0.750 235 HA ASP 29 HA ASP 29 13.619 12.523 0.023 236 1HB ASP 29 2HB ASP 29 15.103 11.029 1.178 237 2HB ASP 29 1HB ASP 29 14.456 9.630 0.342 238 H ASP 30 H ASP 30 14.604 11.897 -2.257 239 HA ASP 30 HA ASP 30 12.375 11.613 -4.031 240 1HB ASP 30 2HB ASP 30 15.349 11.808 -4.519 241 2HB ASP 30 1HB ASP 30 14.165 11.700 -5.815 242 H ASN 31 H ASN 31 14.769 9.498 -2.714 243 HA ASN 31 HA ASN 31 13.967 7.390 -4.600 244 1HB ASN 31 2HB ASN 31 16.403 7.657 -2.833 245 2HB ASN 31 1HB ASN 31 16.005 6.189 -3.719 246 1HD2 ASN 31 1HD2 ASN 31 16.236 6.146 -5.943 247 2HD2 ASN 31 2HD2 ASN 31 17.083 7.374 -6.817 248 H PHE 32 H PHE 32 14.401 8.088 -1.157 249 HA PHE 32 HA PHE 32 13.066 5.554 -0.514 250 1HB PHE 32 2HB PHE 32 14.657 7.441 1.231 251 2HB PHE 32 1HB PHE 32 13.842 5.995 1.816 252 HD1 PHE 32 HD2 PHE 32 14.592 3.761 1.025 253 HD2 PHE 32 HD1 PHE 32 16.758 7.325 0.164 254 HE1 PHE 32 HE2 PHE 32 16.584 2.419 0.489 255 HE2 PHE 32 HE1 PHE 32 18.749 5.990 -0.374 256 HZ PHE 32 HZ PHE 32 18.664 3.534 -0.211 257 H VAL 33 H VAL 33 11.074 5.483 0.330 258 HA VAL 33 HA VAL 33 9.947 7.938 1.485 259 HB VAL 33 HB VAL 33 7.738 7.395 0.444 260 1HG1 VAL 33 1HG1 VAL 33 10.002 8.018 -1.448 261 2HG1 VAL 33 2HG1 VAL 33 9.103 9.176 -0.468 262 3HG1 VAL 33 3HG1 VAL 33 8.294 8.313 -1.775 263 1HG2 VAL 33 1HG2 VAL 33 8.199 5.042 -0.078 264 2HG2 VAL 33 2HG2 VAL 33 9.369 5.552 -1.296 265 3HG2 VAL 33 3HG2 VAL 33 7.660 5.940 -1.498 266 H LEU 34 H LEU 34 7.902 7.456 2.731 267 HA LEU 34 HA LEU 34 8.163 4.837 4.057 268 1HB LEU 34 2HB LEU 34 8.560 7.075 5.325 269 2HB LEU 34 1HB LEU 34 6.820 7.244 5.258 270 HG LEU 34 HG LEU 34 8.207 4.879 6.524 271 1HD1 LEU 34 1HD1 LEU 34 7.727 5.942 8.670 272 2HD1 LEU 34 2HD1 LEU 34 7.120 7.368 7.831 273 3HD1 LEU 34 3HD1 LEU 34 8.820 6.926 7.698 274 1HD2 LEU 34 1HD2 LEU 34 5.900 4.462 5.842 275 2HD2 LEU 34 2HD2 LEU 34 5.375 5.895 6.725 276 3HD2 LEU 34 3HD2 LEU 34 6.043 4.518 7.599 277 H VAL 35 H VAL 35 6.622 3.474 3.518 278 HA VAL 35 HA VAL 35 3.959 4.539 2.855 279 HB VAL 35 HB VAL 35 3.628 2.542 1.430 280 1HG1 VAL 35 1HG1 VAL 35 4.300 4.609 0.391 281 2HG1 VAL 35 2HG1 VAL 35 5.106 3.262 -0.413 282 3HG1 VAL 35 3HG1 VAL 35 5.997 4.266 0.730 283 1HG2 VAL 35 1HG2 VAL 35 6.559 2.040 1.948 284 2HG2 VAL 35 2HG2 VAL 35 5.560 1.184 0.772 285 3HG2 VAL 35 3HG2 VAL 35 5.217 1.036 2.497 286 H THR 36 H THR 36 2.201 3.609 3.784 287 HA THR 36 HA THR 36 2.751 1.610 5.877 288 HB THR 36 HB THR 36 0.430 3.537 5.774 289 HG1 THR 36 HG1 THR 36 1.609 4.788 7.239 290 1HG2 THR 36 1HG2 THR 36 1.508 1.768 7.971 291 2HG2 THR 36 2HG2 THR 36 -0.002 1.538 7.089 292 3HG2 THR 36 3HG2 THR 36 0.194 2.929 8.157 293 HN2 GLY 37 H GLY 37 1.944 -0.329 5.519 294 1HA GLY 37 2HA GLY 37 -0.214 -0.654 3.558 295 2HA GLY 37 1HA GLY 37 0.856 -1.929 4.130 296 HA PRO 38 HA PRO 38 -3.239 -1.682 6.632 297 1HB PRO 38 2HB PRO 38 -4.030 -4.025 5.021 298 2HB PRO 38 1HB PRO 38 -4.980 -2.610 5.483 299 1HG PRO 38 2HG PRO 38 -4.139 -2.963 2.964 300 2HG PRO 38 1HG PRO 38 -4.222 -1.351 3.698 301 1HD PRO 38 2HD PRO 38 -1.839 -3.113 3.255 302 2HD PRO 38 1HD PRO 38 -1.996 -1.354 3.047 303 H LYS 39 H LYS 39 -2.287 -2.451 8.433 304 HA LYS 39 HA LYS 39 -0.711 -4.857 8.406 305 1HB LYS 39 2HB LYS 39 -0.183 -2.813 9.776 306 2HB LYS 39 1HB LYS 39 -1.574 -3.197 10.780 307 1HG LYS 39 2HG LYS 39 -0.518 -5.388 11.294 308 2HG LYS 39 1HG LYS 39 0.912 -4.849 10.412 309 1HD LYS 39 2HD LYS 39 -0.281 -3.558 12.863 310 2HD LYS 39 1HD LYS 39 1.209 -4.498 12.793 311 1HE LYS 39 2HE LYS 39 2.179 -2.823 11.283 312 2HE LYS 39 1HE LYS 39 0.692 -1.881 11.385 313 1HZ LYS 39 1HZ LYS 39 2.324 -0.991 12.885 314 2HZ LYS 39 2HZ LYS 39 2.546 -2.502 13.623 315 3HZ LYS 39 3HZ LYS 39 1.067 -1.684 13.792 316 H ASP 40 H ASP 40 -3.885 -3.855 9.445 317 HA ASP 40 HA ASP 40 -4.422 -6.341 10.822 318 1HB ASP 40 2HB ASP 40 -5.383 -4.281 11.673 319 2HB ASP 40 1HB ASP 40 -6.194 -3.993 10.140 320 H ILE 41 H ILE 41 -5.032 -4.923 7.692 321 HA ILE 41 HA ILE 41 -6.889 -7.031 6.936 322 HB ILE 41 HB ILE 41 -5.744 -4.787 5.262 323 1HG1 ILE 41 2HG1 ILE 41 -8.449 -5.064 6.593 324 2HG1 ILE 41 1HG1 ILE 41 -7.155 -3.990 7.114 325 1HG2 ILE 41 1HG2 ILE 41 -8.018 -6.680 4.682 326 2HG2 ILE 41 2HG2 ILE 41 -6.436 -6.684 3.900 327 3HG2 ILE 41 3HG2 ILE 41 -7.530 -5.316 3.677 328 1HD1 ILE 41 1HD1 ILE 41 -7.331 -2.779 4.982 329 2HD1 ILE 41 2HD1 ILE 41 -8.839 -2.760 5.896 330 3HD1 ILE 41 3HD1 ILE 41 -8.659 -3.839 4.512 331 H THR 42 H THR 42 -4.051 -5.760 5.195 332 HA THR 42 HA THR 42 -3.698 -8.251 3.830 333 HB THR 42 HB THR 42 -1.678 -6.025 3.834 334 HG1 THR 42 HG1 THR 42 -4.020 -6.038 2.202 335 1HG2 THR 42 1HG2 THR 42 -1.411 -6.684 1.496 336 2HG2 THR 42 2HG2 THR 42 -2.702 -7.873 1.673 337 3HG2 THR 42 3HG2 THR 42 -1.191 -8.068 2.563 338 HN2 GLY 43 H GLY 43 -1.957 -6.493 6.364 339 1HA GLY 43 2HA GLY 43 -0.846 -7.754 8.118 340 2HA GLY 43 1HA GLY 43 -0.413 -8.955 6.909 341 H VAL 44 H VAL 44 -0.156 -5.799 5.754 342 HA VAL 44 HA VAL 44 2.749 -6.017 5.774 343 HB VAL 44 HB VAL 44 1.053 -3.945 4.366 344 1HG1 VAL 44 1HG1 VAL 44 3.012 -3.632 2.953 345 2HG1 VAL 44 2HG1 VAL 44 3.892 -4.839 3.892 346 3HG1 VAL 44 3HG1 VAL 44 3.395 -3.324 4.648 347 1HG2 VAL 44 1HG2 VAL 44 1.312 -5.312 2.351 348 2HG2 VAL 44 2HG2 VAL 44 0.407 -6.155 3.608 349 3HG2 VAL 44 3HG2 VAL 44 2.096 -6.568 3.310 350 H LYS 45 H LYS 45 4.117 -4.350 6.531 351 HA LYS 45 HA LYS 45 2.836 -2.536 8.466 352 1HB LYS 45 2HB LYS 45 5.589 -3.779 8.656 353 2HB LYS 45 1HB LYS 45 4.815 -2.762 9.867 354 1HG LYS 45 2HG LYS 45 3.156 -4.438 10.299 355 2HG LYS 45 1HG LYS 45 3.749 -5.430 8.967 356 1HD LYS 45 2HD LYS 45 5.937 -5.577 10.182 357 2HD LYS 45 1HD LYS 45 5.149 -4.789 11.553 358 1HE LYS 45 2HE LYS 45 3.506 -6.586 11.653 359 2HE LYS 45 1HE LYS 45 4.265 -7.371 10.273 360 1HZ LYS 45 1HZ LYS 45 5.466 -6.939 12.952 361 2HZ LYS 45 2HZ LYS 45 6.301 -7.588 11.623 362 3HZ LYS 45 3HZ LYS 45 4.978 -8.419 12.282 363 H ARG 46 H ARG 46 3.877 -0.461 8.777 364 HA ARG 46 HA ARG 46 4.785 0.659 6.320 365 1HB ARG 46 2HB ARG 46 5.081 2.759 7.726 366 2HB ARG 46 1HB ARG 46 3.458 2.107 7.594 367 1HG ARG 46 2HG ARG 46 3.482 2.527 9.814 368 2HG ARG 46 1HG ARG 46 4.171 0.905 9.854 369 1HD ARG 46 2HD ARG 46 6.393 1.789 10.048 370 2HD ARG 46 1HD ARG 46 5.812 3.433 9.773 371 HE ARG 46 HE ARG 46 4.439 2.572 11.979 372 1HH1 ARG 46 1HH1 ARG 46 7.837 2.867 11.157 373 2HH1 ARG 46 2HH1 ARG 46 8.326 3.197 12.794 374 1HH2 ARG 46 1HH2 ARG 46 5.072 3.008 14.106 375 2HH2 ARG 46 2HH2 ARG 46 6.760 3.232 14.475 376 H ARG 47 H ARG 47 6.744 0.973 5.586 377 HA ARG 47 HA ARG 47 9.052 0.743 7.366 378 1HB ARG 47 2HB ARG 47 8.513 -1.034 4.981 379 2HB ARG 47 1HB ARG 47 10.107 -0.855 5.704 380 1HG ARG 47 2HG ARG 47 9.344 -1.799 7.767 381 2HG ARG 47 1HG ARG 47 7.674 -1.806 7.200 382 1HD ARG 47 2HD ARG 47 8.702 -4.031 7.089 383 2HD ARG 47 1HD ARG 47 8.224 -3.438 5.500 384 HE ARG 47 HE ARG 47 10.524 -3.073 4.990 385 1HH1 ARG 47 1HH1 ARG 47 10.012 -4.670 8.059 386 2HH1 ARG 47 2HH1 ARG 47 11.587 -5.416 8.077 387 1HH2 ARG 47 1HH2 ARG 47 12.578 -4.074 4.987 388 2HH2 ARG 47 2HH2 ARG 47 13.033 -5.096 6.321 389 H ARG 48 H ARG 48 11.119 0.996 5.940 390 HA ARG 48 HA ARG 48 10.713 3.358 4.252 391 1HB ARG 48 2HB ARG 48 13.229 2.206 5.480 392 2HB ARG 48 1HB ARG 48 13.143 3.698 4.553 393 1HG ARG 48 2HG ARG 48 11.951 4.809 6.231 394 2HG ARG 48 1HG ARG 48 11.513 3.301 7.036 395 1HD ARG 48 2HD ARG 48 14.309 4.413 6.824 396 2HD ARG 48 1HD ARG 48 13.263 4.555 8.240 397 HE ARG 48 HE ARG 48 13.830 1.864 7.256 398 1HH1 ARG 48 1HH1 ARG 48 14.524 4.371 9.602 399 2HH1 ARG 48 2HH1 ARG 48 15.221 3.271 10.751 400 1HH2 ARG 48 1HH2 ARG 48 14.774 0.420 8.782 401 2HH2 ARG 48 2HH2 ARG 48 15.368 1.053 10.292 402 H VAL 49 H VAL 49 10.501 2.910 2.161 403 HA VAL 49 HA VAL 49 12.180 0.795 0.989 404 HB VAL 49 HB VAL 49 9.831 0.025 1.291 405 1HG1 VAL 49 1HG1 VAL 49 8.695 2.163 1.027 406 2HG1 VAL 49 2HG1 VAL 49 8.054 0.962 -0.092 407 3HG1 VAL 49 3HG1 VAL 49 9.157 2.209 -0.674 408 1HG2 VAL 49 1HG2 VAL 49 10.730 0.340 -1.567 409 2HG2 VAL 49 2HG2 VAL 49 9.499 -0.792 -1.006 410 3HG2 VAL 49 3HG2 VAL 49 11.168 -0.960 -0.462 411 H ASN 50 H ASN 50 12.647 1.095 -1.295 412 HA ASN 50 HA ASN 50 12.760 3.927 -1.991 413 1HB ASN 50 2HB ASN 50 14.363 3.291 -3.706 414 2HB ASN 50 1HB ASN 50 14.829 2.575 -2.169 415 1HD2 ASN 50 1HD2 ASN 50 14.820 0.367 -1.933 416 2HD2 ASN 50 2HD2 ASN 50 14.568 -0.718 -3.259 417 H ILE 51 H ILE 51 11.903 4.793 -3.842 418 HA ILE 51 HA ILE 51 9.434 3.700 -4.716 419 HB ILE 51 HB ILE 51 10.970 5.920 -6.076 420 1HG1 ILE 51 2HG1 ILE 51 9.102 6.138 -3.706 421 2HG1 ILE 51 1HG1 ILE 51 10.851 6.281 -3.618 422 1HG2 ILE 51 1HG2 ILE 51 8.751 6.745 -6.663 423 2HG2 ILE 51 2HG2 ILE 51 8.009 5.395 -5.807 424 3HG2 ILE 51 3HG2 ILE 51 8.978 5.098 -7.249 425 1HD1 ILE 51 1HD1 ILE 51 9.002 8.107 -5.127 426 2HD1 ILE 51 2HD1 ILE 51 10.759 8.245 -5.070 427 3HD1 ILE 51 3HD1 ILE 51 9.808 8.460 -3.599 428 H LEU 52 H LEU 52 12.628 3.199 -5.750 429 HA LEU 52 HA LEU 52 12.206 2.879 -8.539 430 1HB LEU 52 2HB LEU 52 14.389 3.376 -7.403 431 2HB LEU 52 1HB LEU 52 14.418 1.714 -6.851 432 HG LEU 52 HG LEU 52 14.476 0.947 -9.198 433 1HD1 LEU 52 1HD1 LEU 52 14.829 2.533 -10.997 434 2HD1 LEU 52 2HD1 LEU 52 14.726 3.879 -9.863 435 3HD1 LEU 52 3HD1 LEU 52 13.307 2.880 -10.176 436 1HD2 LEU 52 1HD2 LEU 52 16.767 1.654 -9.667 437 2HD2 LEU 52 2HD2 LEU 52 16.555 1.263 -7.961 438 3HD2 LEU 52 3HD2 LEU 52 16.617 2.948 -8.478 439 H HIS 53 H HIS 53 11.315 0.958 -5.925 440 HA HIS 53 HA HIS 53 10.927 -1.359 -7.708 441 1HB HIS 53 2HB HIS 53 11.744 -1.386 -4.796 442 2HB HIS 53 1HB HIS 53 11.163 -2.809 -5.651 443 HD1 HIS 53 HD1 HIS 53 14.063 -0.391 -5.613 444 HD2 HIS 53 HD2 HIS 53 13.049 -4.113 -7.160 445 HE1 HIS 53 HE1 HIS 53 16.197 -1.345 -6.534 446 HE2 HIS 53 HE2 HIS 53 15.603 -3.695 -7.220 447 H LEU 54 H LEU 54 9.258 0.993 -6.740 448 HA LEU 54 HA LEU 54 6.960 -0.578 -5.808 449 1HB LEU 54 2HB LEU 54 8.082 0.486 -3.862 450 2HB LEU 54 1HB LEU 54 7.847 2.053 -4.610 451 HG LEU 54 HG LEU 54 5.377 1.664 -4.482 452 1HD1 LEU 54 1HD1 LEU 54 5.410 -0.775 -4.351 453 2HD1 LEU 54 2HD1 LEU 54 4.557 -0.071 -2.976 454 3HD1 LEU 54 3HD1 LEU 54 6.198 -0.684 -2.777 455 1HD2 LEU 54 1HD2 LEU 54 5.239 2.137 -2.084 456 2HD2 LEU 54 2HD2 LEU 54 6.547 3.040 -2.851 457 3HD2 LEU 54 3HD2 LEU 54 6.910 1.610 -1.887 458 H GLU 55 H GLU 55 5.181 -0.135 -7.003 459 HA GLU 55 HA GLU 55 5.186 2.380 -8.529 460 1HB GLU 55 2HB GLU 55 4.128 -0.335 -9.271 461 2HB GLU 55 1HB GLU 55 3.634 1.127 -10.112 462 1HG GLU 55 2HG GLU 55 6.091 1.540 -10.553 463 2HG GLU 55 1HG GLU 55 6.363 -0.111 -9.987 464 HA PRO 56 HA PRO 56 1.377 3.348 -6.340 465 1HB PRO 56 2HB PRO 56 1.378 5.577 -8.276 466 2HB PRO 56 1HB PRO 56 1.343 5.626 -6.512 467 1HG PRO 56 2HG PRO 56 3.529 6.342 -7.887 468 2HG PRO 56 1HG PRO 56 3.646 5.503 -6.328 469 1HD PRO 56 2HD PRO 56 3.949 4.409 -9.100 470 2HD PRO 56 1HD PRO 56 4.905 4.062 -7.641 471 H THR 57 H THR 57 -0.559 2.544 -6.881 472 HA THR 57 HA THR 57 -0.977 1.563 -9.553 473 HB THR 57 HB THR 57 -3.025 0.558 -8.667 474 HG1 THR 57 HG1 THR 57 -2.373 1.951 -6.256 475 1HG2 THR 57 1HG2 THR 57 -0.928 -0.628 -8.297 476 2HG2 THR 57 2HG2 THR 57 -2.025 -0.870 -6.937 477 3HG2 THR 57 3HG2 THR 57 -0.676 0.258 -6.793 478 H ASP 58 H ASP 58 -3.551 1.718 -10.075 479 HA ASP 58 HA ASP 58 -3.887 4.368 -11.065 480 1HB ASP 58 2HB ASP 58 -4.627 2.362 -12.297 481 2HB ASP 58 1HB ASP 58 -5.809 2.029 -11.035 482 H LYS 59 H LYS 59 -4.957 2.678 -8.238 483 HA LYS 59 HA LYS 59 -7.145 4.560 -7.805 484 1HB LYS 59 2HB LYS 59 -6.485 1.860 -6.778 485 2HB LYS 59 1HB LYS 59 -7.336 2.935 -5.675 486 1HG LYS 59 2HG LYS 59 -8.860 1.502 -6.962 487 2HG LYS 59 1HG LYS 59 -9.132 3.217 -7.267 488 1HD LYS 59 2HD LYS 59 -7.597 2.914 -9.295 489 2HD LYS 59 1HD LYS 59 -7.823 1.181 -9.045 490 1HE LYS 59 2HE LYS 59 -10.211 1.414 -9.321 491 2HE LYS 59 1HE LYS 59 -10.060 3.167 -9.420 492 1HZ LYS 59 1HZ LYS 59 -10.274 2.391 -11.616 493 2HZ LYS 59 2HZ LYS 59 -9.146 1.149 -11.388 494 3HZ LYS 59 3HZ LYS 59 -8.627 2.765 -11.436 495 H LYS 60 H LYS 60 -7.440 5.629 -5.807 496 HA LYS 60 HA LYS 60 -5.143 6.062 -4.101 497 1HB LYS 60 2HB LYS 60 -4.583 7.566 -5.898 498 2HB LYS 60 1HB LYS 60 -6.232 8.172 -5.976 499 1HG LYS 60 2HG LYS 60 -5.744 8.874 -3.492 500 2HG LYS 60 1HG LYS 60 -4.067 8.801 -4.041 501 1HD LYS 60 2HD LYS 60 -4.408 10.468 -5.651 502 2HD LYS 60 1HD LYS 60 -6.164 10.298 -5.576 503 1HE LYS 60 2HE LYS 60 -5.528 12.320 -4.446 504 2HE LYS 60 1HE LYS 60 -6.113 11.160 -3.260 505 1HZ LYS 60 1HZ LYS 60 -3.803 10.624 -2.730 506 2HZ LYS 60 2HZ LYS 60 -4.137 12.261 -2.466 507 3HZ LYS 60 3HZ LYS 60 -3.266 11.785 -3.844 508 H ILE 61 H ILE 61 -5.704 7.224 -2.191 509 HA ILE 61 HA ILE 61 -8.574 7.817 -1.888 510 HB ILE 61 HB ILE 61 -8.240 7.539 0.573 511 1HG1 ILE 61 2HG1 ILE 61 -5.602 6.293 -0.237 512 2HG1 ILE 61 1HG1 ILE 61 -5.785 7.823 0.613 513 1HG2 ILE 61 1HG2 ILE 61 -8.251 5.073 0.537 514 2HG2 ILE 61 2HG2 ILE 61 -7.718 5.119 -1.145 515 3HG2 ILE 61 3HG2 ILE 61 -9.290 5.784 -0.697 516 1HD1 ILE 61 1HD1 ILE 61 -6.592 5.117 1.650 517 2HD1 ILE 61 2HD1 ILE 61 -6.789 6.646 2.504 518 3HD1 ILE 61 3HD1 ILE 61 -5.173 6.042 2.137 519 H ASP 62 H ASP 62 -9.102 9.858 -1.304 520 HA ASP 62 HA ASP 62 -6.929 11.780 -1.374 521 1HB ASP 62 2HB ASP 62 -9.057 12.043 -2.726 522 2HB ASP 62 1HB ASP 62 -9.888 12.365 -1.206 523 H ILE 63 H ILE 63 -5.919 12.044 0.521 524 HA ILE 63 HA ILE 63 -7.550 12.523 2.917 525 HB ILE 63 HB ILE 63 -5.955 11.171 4.258 526 1HG1 ILE 63 2HG1 ILE 63 -4.969 10.210 1.559 527 2HG1 ILE 63 1HG1 ILE 63 -4.069 11.252 2.657 528 1HG2 ILE 63 1HG2 ILE 63 -8.090 10.227 3.602 529 2HG2 ILE 63 2HG2 ILE 63 -6.841 8.983 3.618 530 3HG2 ILE 63 3HG2 ILE 63 -7.393 9.657 2.086 531 1HD1 ILE 63 1HD1 ILE 63 -3.304 8.957 2.800 532 2HD1 ILE 63 2HD1 ILE 63 -4.936 8.427 3.211 533 3HD1 ILE 63 3HD1 ILE 63 -4.043 9.465 4.321 534 H GLN 64 H GLN 64 -5.930 13.097 4.787 535 HA GLN 64 HA GLN 64 -4.116 15.180 3.846 536 1HB GLN 64 2HB GLN 64 -5.854 14.957 6.023 537 2HB GLN 64 1HB GLN 64 -4.258 14.762 6.729 538 1HG GLN 64 2HG GLN 64 -5.152 17.081 5.033 539 2HG GLN 64 1HG GLN 64 -5.027 17.081 6.788 540 1HE2 GLN 64 1HE2 GLN 64 -3.322 17.204 3.791 541 2HE2 GLN 64 2HE2 GLN 64 -1.775 17.608 4.448 542 H LYS 65 H LYS 65 -1.946 15.248 5.137 543 HA LYS 65 HA LYS 65 -0.700 12.692 4.717 544 1HB LYS 65 2HB LYS 65 0.448 14.813 4.134 545 2HB LYS 65 1HB LYS 65 0.530 15.214 5.846 546 1HG LYS 65 2HG LYS 65 1.894 13.245 6.261 547 2HG LYS 65 1HG LYS 65 1.782 12.796 4.561 548 1HD LYS 65 2HD LYS 65 2.910 14.915 3.968 549 2HD LYS 65 1HD LYS 65 3.098 15.263 5.689 550 1HE LYS 65 2HE LYS 65 4.372 13.174 5.943 551 2HE LYS 65 1HE LYS 65 4.217 12.888 4.211 552 1HZ LYS 65 1HZ LYS 65 6.346 13.845 4.711 553 2HZ LYS 65 2HZ LYS 65 5.628 15.164 5.500 554 3HZ LYS 65 3HZ LYS 65 5.427 14.963 3.826 555 HN2 GLY 66 H GLY 66 -1.055 11.161 6.156 556 1HA GLY 66 2HA GLY 66 0.089 10.715 8.485 557 2HA GLY 66 1HA GLY 66 -1.193 11.808 9.000 558 H ALA 67 H ALA 67 -0.774 8.904 6.992 559 HA ALA 67 HA ALA 67 -3.485 8.076 7.705 560 1HB ALA 67 1HB ALA 67 -3.276 6.479 5.861 561 2HB ALA 67 2HB ALA 67 -1.617 7.014 5.589 562 3HB ALA 67 3HB ALA 67 -2.958 8.130 5.329 563 H SER 68 H SER 68 -3.926 6.261 8.797 564 HA SER 68 HA SER 68 -1.705 4.498 9.571 565 1HB SER 68 2HB SER 68 -2.904 4.202 11.766 566 2HB SER 68 1HB SER 68 -2.281 5.834 11.513 567 HG SER 68 HG SER 68 -4.268 6.401 11.929 568 H ASP 69 H ASP 69 -2.752 2.351 10.512 569 HA ASP 69 HA ASP 69 -4.183 1.065 8.467 570 1HB ASP 69 2HB ASP 69 -2.861 -0.127 10.205 571 2HB ASP 69 1HB ASP 69 -4.065 0.316 11.406 572 H GLU 70 H GLU 70 -5.225 2.629 11.419 573 HA GLU 70 HA GLU 70 -7.964 2.005 11.341 574 1HB GLU 70 2HB GLU 70 -6.691 2.983 13.262 575 2HB GLU 70 1HB GLU 70 -6.671 4.513 12.408 576 1HG GLU 70 2HG GLU 70 -9.152 4.487 12.421 577 2HG GLU 70 1HG GLU 70 -9.084 3.045 13.434 578 H GLU 71 H GLU 71 -6.206 4.875 10.236 579 HA GLU 71 HA GLU 71 -8.404 6.259 9.185 580 1HB GLU 71 2HB GLU 71 -6.092 7.174 9.646 581 2HB GLU 71 1HB GLU 71 -5.577 6.424 8.143 582 1HG GLU 71 2HG GLU 71 -6.038 8.758 7.783 583 2HG GLU 71 1HG GLU 71 -7.223 7.776 6.921 584 H VAL 72 H VAL 72 -6.140 3.997 7.657 585 HA VAL 72 HA VAL 72 -7.150 4.122 5.050 586 HB VAL 72 HB VAL 72 -5.858 1.797 6.496 587 1HG1 VAL 72 1HG1 VAL 72 -6.398 2.139 3.548 588 2HG1 VAL 72 2HG1 VAL 72 -7.152 0.955 4.618 589 3HG1 VAL 72 3HG1 VAL 72 -5.424 0.856 4.272 590 1HG2 VAL 72 1HG2 VAL 72 -3.859 2.459 5.258 591 2HG2 VAL 72 2HG2 VAL 72 -4.446 3.777 6.271 592 3HG2 VAL 72 3HG2 VAL 72 -4.747 3.799 4.534 593 H LYS 73 H LYS 73 -8.071 2.032 7.774 594 HA LYS 73 HA LYS 73 -10.050 0.498 6.611 595 1HB LYS 73 2HB LYS 73 -9.379 1.395 9.302 596 2HB LYS 73 1HB LYS 73 -11.106 1.167 9.093 597 1HG LYS 73 2HG LYS 73 -10.055 -0.826 9.976 598 2HG LYS 73 1HG LYS 73 -10.723 -1.125 8.371 599 1HD LYS 73 2HD LYS 73 -8.573 -1.065 7.373 600 2HD LYS 73 1HD LYS 73 -7.839 -0.424 8.846 601 1HE LYS 73 2HE LYS 73 -9.159 -3.123 8.661 602 2HE LYS 73 1HE LYS 73 -7.429 -2.857 8.444 603 1HZ LYS 73 1HZ LYS 73 -7.235 -2.066 10.662 604 2HZ LYS 73 2HZ LYS 73 -8.079 -3.544 10.719 605 3HZ LYS 73 3HZ LYS 73 -8.919 -2.082 10.894 606 H LYS 74 H LYS 74 -10.339 3.730 8.015 607 HA LYS 74 HA LYS 74 -13.150 3.916 7.661 608 1HB LYS 74 2HB LYS 74 -11.036 6.003 8.199 609 2HB LYS 74 1HB LYS 74 -12.766 6.319 8.239 610 1HG LYS 74 2HG LYS 74 -13.078 4.862 10.088 611 2HG LYS 74 1HG LYS 74 -11.440 4.224 9.941 612 1HD LYS 74 2HD LYS 74 -10.520 6.378 10.583 613 2HD LYS 74 1HD LYS 74 -12.143 7.071 10.650 614 1HE LYS 74 2HE LYS 74 -12.739 5.578 12.467 615 2HE LYS 74 1HE LYS 74 -11.174 4.777 12.356 616 1HZ LYS 74 1HZ LYS 74 -11.472 7.661 12.982 617 2HZ LYS 74 2HZ LYS 74 -10.082 6.702 13.146 618 3HZ LYS 74 3HZ LYS 74 -11.406 6.457 14.177 619 H LYS 75 H LYS 75 -10.392 5.123 5.783 620 HA LYS 75 HA LYS 75 -12.028 6.456 3.861 621 1HB LYS 75 2HB LYS 75 -9.148 5.815 4.119 622 2HB LYS 75 1HB LYS 75 -9.747 6.084 2.486 623 1HG LYS 75 2HG LYS 75 -8.839 8.119 3.540 624 2HG LYS 75 1HG LYS 75 -10.532 8.279 3.078 625 1HD LYS 75 2HD LYS 75 -11.185 7.824 5.411 626 2HD LYS 75 1HD LYS 75 -9.479 7.725 5.853 627 1HE LYS 75 2HE LYS 75 -9.149 10.031 5.196 628 2HE LYS 75 1HE LYS 75 -10.822 10.142 4.652 629 1HZ LYS 75 1HZ LYS 75 -10.006 9.566 7.450 630 2HZ LYS 75 2HZ LYS 75 -11.581 9.858 6.886 631 3HZ LYS 75 3HZ LYS 75 -10.434 11.104 6.874 632 H LEU 76 H LEU 76 -10.706 3.217 4.119 633 HA LEU 76 HA LEU 76 -11.519 2.330 1.547 634 1HB LEU 76 2HB LEU 76 -10.561 1.104 4.042 635 2HB LEU 76 1HB LEU 76 -11.634 0.086 3.103 636 HG LEU 76 HG LEU 76 -10.157 0.173 1.199 637 1HD1 LEU 76 1HD1 LEU 76 -8.427 2.022 2.840 638 2HD1 LEU 76 2HD1 LEU 76 -9.382 2.483 1.431 639 3HD1 LEU 76 3HD1 LEU 76 -8.030 1.365 1.252 640 1HD2 LEU 76 1HD2 LEU 76 -8.189 -0.931 2.149 641 2HD2 LEU 76 2HD2 LEU 76 -9.678 -1.493 2.903 642 3HD2 LEU 76 3HD2 LEU 76 -8.639 -0.349 3.751 643 H GLU 77 H GLU 77 -13.132 2.667 4.629 644 HA GLU 77 HA GLU 77 -15.516 1.322 4.001 645 1HB GLU 77 2HB GLU 77 -14.605 3.355 5.972 646 2HB GLU 77 1HB GLU 77 -16.323 3.136 5.767 647 1HG GLU 77 2HG GLU 77 -14.394 0.942 6.447 648 2HG GLU 77 1HG GLU 77 -15.374 1.822 7.620 649 H GLU 78 H GLU 78 -14.369 4.603 3.437 650 HA GLU 78 HA GLU 78 -16.834 5.665 2.501 651 1HB GLU 78 2HB GLU 78 -13.990 6.574 2.023 652 2HB GLU 78 1HB GLU 78 -15.417 7.506 1.600 653 1HG GLU 78 2HG GLU 78 -14.669 6.662 4.391 654 2HG GLU 78 1HG GLU 78 -14.353 8.248 3.687 655 H SER 79 H SER 79 -13.947 4.429 0.820 656 HA SER 79 HA SER 79 -15.223 4.854 -1.746 657 1HB SER 79 2HB SER 79 -12.470 3.828 -1.044 658 2HB SER 79 1HB SER 79 -13.029 4.258 -2.654 659 HG SER 79 HG SER 79 -12.635 5.955 -0.429 660 H ASN 80 H ASN 80 -15.049 2.351 0.491 661 HA ASN 80 HA ASN 80 -15.493 0.127 0.467 662 1HB ASN 80 2HB ASN 80 -16.744 0.841 -2.195 663 2HB ASN 80 1HB ASN 80 -16.887 -0.743 -1.446 664 1HD2 ASN 80 1HD2 ASN 80 -17.085 0.270 1.251 665 2HD2 ASN 80 2HD2 ASN 80 -18.654 0.974 1.396 666 H LEU 81 H LEU 81 -12.983 1.154 -0.583 667 HA LEU 81 HA LEU 81 -12.230 -0.567 -2.794 668 1HB LEU 81 2HB LEU 81 -11.442 1.797 -2.552 669 2HB LEU 81 1HB LEU 81 -10.530 1.305 -1.139 670 HG LEU 81 HG LEU 81 -9.213 -0.240 -2.587 671 1HD1 LEU 81 1HD1 LEU 81 -10.848 -0.555 -4.362 672 2HD1 LEU 81 2HD1 LEU 81 -9.325 0.053 -5.011 673 3HD1 LEU 81 3HD1 LEU 81 -10.699 1.144 -4.816 674 1HD2 LEU 81 1HD2 LEU 81 -7.882 1.510 -3.637 675 2HD2 LEU 81 2HD2 LEU 81 -8.381 1.980 -2.011 676 3HD2 LEU 81 3HD2 LEU 81 -9.204 2.657 -3.417 677 H THR 82 H THR 82 -12.818 -1.276 0.219 678 HA THR 82 HA THR 82 -10.523 -2.376 1.364 679 HB THR 82 HB THR 82 -13.261 -3.554 1.746 680 HG1 THR 82 HG1 THR 82 -13.803 -1.768 3.009 681 1HG2 THR 82 1HG2 THR 82 -11.417 -4.521 3.029 682 2HG2 THR 82 2HG2 THR 82 -12.520 -3.653 4.096 683 3HG2 THR 82 3HG2 THR 82 -10.981 -2.922 3.635 684 H GLU 83 H GLU 83 -12.500 -3.512 -1.231 685 HA GLU 83 HA GLU 83 -11.954 -6.289 -1.028 686 1HB GLU 83 2HB GLU 83 -13.809 -5.348 -2.365 687 2HB GLU 83 1HB GLU 83 -12.641 -4.653 -3.477 688 1HG GLU 83 2HG GLU 83 -11.827 -6.940 -3.970 689 2HG GLU 83 1HG GLU 83 -13.126 -7.577 -2.963 690 H TYR 84 H TYR 84 -10.567 -3.730 -3.063 691 HA TYR 84 HA TYR 84 -8.668 -5.348 -4.353 692 1HB TYR 84 2HB TYR 84 -9.250 -3.195 -5.283 693 2HB TYR 84 1HB TYR 84 -8.670 -2.364 -3.841 694 HD1 TYR 84 HD1 TYR 84 -7.513 -4.528 -6.643 695 HD2 TYR 84 HD2 TYR 84 -6.463 -1.613 -3.731 696 HE1 TYR 84 HE1 TYR 84 -5.269 -4.362 -7.631 697 HE2 TYR 84 HE2 TYR 84 -4.215 -1.437 -4.712 698 HH TYR 84 HH TYR 84 -3.394 -2.794 -7.737 699 H MET 85 H MET 85 -8.560 -3.642 -1.296 700 HA MET 85 HA MET 85 -5.724 -3.832 -1.024 701 1HB MET 85 2HB MET 85 -7.881 -3.127 0.965 702 2HB MET 85 1HB MET 85 -6.160 -2.956 1.240 703 1HG MET 85 2HG MET 85 -7.774 -1.516 -0.843 704 2HG MET 85 1HG MET 85 -7.138 -0.828 0.649 705 1HE MET 85 1HE MET 85 -4.267 -1.994 0.900 706 2HE MET 85 2HE MET 85 -4.626 -0.278 1.087 707 3HE MET 85 3HE MET 85 -3.308 -0.793 0.032 708 H LYS 86 H LYS 86 -8.370 -5.921 -0.321 709 HA LYS 86 HA LYS 86 -6.718 -7.495 1.513 710 1HB LYS 86 2HB LYS 86 -9.083 -6.946 2.139 711 2HB LYS 86 1HB LYS 86 -9.616 -7.938 0.788 712 1HG LYS 86 2HG LYS 86 -8.725 -9.911 1.782 713 2HG LYS 86 1HG LYS 86 -7.903 -8.977 3.032 714 1HD LYS 86 2HD LYS 86 -9.884 -9.987 3.962 715 2HD LYS 86 1HD LYS 86 -10.105 -8.240 3.878 716 1HE LYS 86 2HE LYS 86 -11.413 -8.503 1.826 717 2HE LYS 86 1HE LYS 86 -11.186 -10.250 1.907 718 1HZ LYS 86 1HZ LYS 86 -12.368 -10.268 4.019 719 2HZ LYS 86 2HZ LYS 86 -13.336 -9.605 2.796 720 3HZ LYS 86 3HZ LYS 86 -12.591 -8.589 3.934 721 H GLU 87 H GLU 87 -7.749 -7.400 -1.738 722 HA GLU 87 HA GLU 87 -7.738 -10.126 -2.390 723 1HB GLU 87 2HB GLU 87 -8.580 -8.315 -3.871 724 2HB GLU 87 1HB GLU 87 -6.920 -7.819 -4.163 725 1HG GLU 87 2HG GLU 87 -7.861 -9.198 -5.975 726 2HG GLU 87 1HG GLU 87 -6.426 -9.906 -5.237 727 H LYS 88 H LYS 88 -6.187 -11.544 -2.442 728 HA LYS 88 HA LYS 88 -3.424 -10.616 -2.064 729 1HB LYS 88 2HB LYS 88 -4.423 -11.851 -0.204 730 2HB LYS 88 1HB LYS 88 -4.783 -13.194 -1.275 731 1HG LYS 88 2HG LYS 88 -2.421 -13.624 -1.579 732 2HG LYS 88 1HG LYS 88 -2.019 -12.224 -0.579 733 1HD LYS 88 2HD LYS 88 -1.861 -14.316 0.693 734 2HD LYS 88 1HD LYS 88 -3.123 -13.262 1.335 735 1HE LYS 88 2HE LYS 88 -4.753 -14.573 -0.093 736 2HE LYS 88 1HE LYS 88 -3.445 -15.724 -0.363 737 1HZ LYS 88 1HZ LYS 88 -4.856 -16.431 1.442 738 2HZ LYS 88 2HZ LYS 88 -4.583 -14.972 2.276 739 3HZ LYS 88 3HZ LYS 88 -3.308 -16.062 2.033 740 H ILE 89 H ILE 89 -2.279 -10.725 -3.894 741 HA ILE 89 HA ILE 89 -2.730 -13.004 -5.709 742 HB ILE 89 HB ILE 89 -1.501 -10.356 -6.494 743 1HG1 ILE 89 2HG1 ILE 89 -3.800 -10.226 -7.797 744 2HG1 ILE 89 1HG1 ILE 89 -4.360 -11.229 -6.463 745 1HG2 ILE 89 1HG2 ILE 89 -1.945 -11.126 -8.783 746 2HG2 ILE 89 2HG2 ILE 89 -2.554 -12.652 -8.136 747 3HG2 ILE 89 3HG2 ILE 89 -0.861 -12.207 -7.908 748 1HD1 ILE 89 1HD1 ILE 89 -3.598 -9.507 -4.885 749 2HD1 ILE 89 2HD1 ILE 89 -4.817 -8.911 -6.010 750 3HD1 ILE 89 3HD1 ILE 89 -3.120 -8.497 -6.249 751 H LYS 90 H LYS 90 -1.013 -14.238 -6.301 752 HA LYS 90 HA LYS 90 1.010 -15.219 -6.207 753 1HB LYS 90 2HB LYS 90 1.783 -12.323 -6.466 754 2HB LYS 90 1HB LYS 90 2.968 -13.623 -6.516 755 1HG LYS 90 2HG LYS 90 0.640 -13.284 -8.397 756 2HG LYS 90 1HG LYS 90 2.331 -12.916 -8.753 757 1HD LYS 90 2HD LYS 90 1.182 -15.630 -8.096 758 2HD LYS 90 1HD LYS 90 1.740 -15.078 -9.679 759 1HE LYS 90 2HE LYS 90 3.997 -14.820 -8.792 760 2HE LYS 90 1HE LYS 90 3.449 -15.350 -7.208 761 1HZ LYS 90 1HZ LYS 90 3.389 -16.996 -9.682 762 2HZ LYS 90 2HZ LYS 90 2.895 -17.496 -8.138 763 3HZ LYS 90 3HZ LYS 90 4.522 -17.142 -8.427 764 H ILE 91 H ILE 91 -0.173 -14.859 -3.701 765 HA ILE 91 HA ILE 91 2.277 -14.708 -2.076 766 HB ILE 91 HB ILE 91 -0.491 -13.919 -1.153 767 1HG1 ILE 91 2HG1 ILE 91 2.012 -12.269 -1.592 768 2HG1 ILE 91 1HG1 ILE 91 0.565 -12.227 -2.592 769 1HG2 ILE 91 1HG2 ILE 91 0.804 -15.033 0.602 770 2HG2 ILE 91 2HG2 ILE 91 0.592 -13.318 0.953 771 3HG2 ILE 91 3HG2 ILE 91 2.136 -13.908 0.337 772 1HD1 ILE 91 1HD1 ILE 91 0.721 -11.420 0.305 773 2HD1 ILE 91 2HD1 ILE 91 -0.711 -11.349 -0.720 774 3HD1 ILE 91 3HD1 ILE 91 0.680 -10.325 -1.076 775 H ARG 92 H ARG 92 2.598 -16.884 -2.406 776 HA ARG 92 HA ARG 92 1.422 -18.473 -0.331 777 1HB ARG 92 2HB ARG 92 -0.165 -18.966 -2.149 778 2HB ARG 92 1HB ARG 92 1.173 -19.400 -3.205 779 1HG ARG 92 2HG ARG 92 1.772 -21.194 -1.569 780 2HG ARG 92 1HG ARG 92 0.274 -20.828 -0.718 781 1HD ARG 92 2HD ARG 92 -1.028 -21.426 -2.655 782 2HD ARG 92 1HD ARG 92 0.439 -21.654 -3.614 783 HE ARG 92 HE ARG 92 0.161 -23.286 -1.212 784 1HH1 ARG 92 1HH1 ARG 92 -0.168 -23.096 -4.701 785 2HH1 ARG 92 2HH1 ARG 92 -0.064 -24.821 -4.929 786 1HH2 ARG 92 1HH2 ARG 92 0.273 -25.548 -1.511 787 2HH2 ARG 92 2HH2 ARG 92 0.182 -26.210 -3.118 788 H MET 93 H MET 93 3.134 -19.356 0.600 789 HA MET 93 HA MET 93 5.469 -19.972 -1.089 790 1HB MET 93 2HB MET 93 5.373 -19.105 1.803 791 2HB MET 93 1HB MET 93 6.830 -19.643 0.980 792 1HG MET 93 2HG MET 93 5.169 -17.236 0.265 793 2HG MET 93 1HG MET 93 6.721 -17.221 1.099 794 1HE MET 93 1HE MET 93 7.596 -15.713 -2.413 795 2HE MET 93 2HE MET 93 7.659 -15.468 -0.669 796 3HE MET 93 3HE MET 93 6.106 -15.477 -1.502 797 HA PRO 94 HA PRO 94 4.910 -24.234 0.088 798 1HB PRO 94 2HB PRO 94 7.823 -24.391 -0.432 799 2HB PRO 94 1HB PRO 94 6.503 -25.320 -1.149 800 1HG PRO 94 2HG PRO 94 7.785 -23.419 -2.534 801 2HG PRO 94 1HG PRO 94 6.044 -23.699 -2.731 802 1HD PRO 94 2HD PRO 94 7.460 -21.540 -1.226 803 2HD PRO 94 1HD PRO 94 5.975 -21.453 -2.196 804 H THR 95 H THR 95 4.588 -24.145 2.277 805 HA THR 95 HA THR 95 6.978 -23.774 3.965 806 HB THR 95 HB THR 95 4.167 -22.984 4.748 807 HG1 THR 95 HG1 THR 95 5.015 -21.747 2.932 808 1HG2 THR 95 1HG2 THR 95 5.732 -23.374 6.599 809 2HG2 THR 95 2HG2 THR 95 5.311 -21.666 6.463 810 3HG2 THR 95 3HG2 THR 95 6.871 -22.239 5.873 811 H LEU 96 H LEU 96 7.247 -25.145 5.671 812 HA LEU 96 HA LEU 96 5.079 -27.022 6.293 813 1HB LEU 96 2HB LEU 96 7.019 -27.973 4.841 814 2HB LEU 96 1HB LEU 96 7.966 -27.874 6.311 815 HG LEU 96 HG LEU 96 5.388 -29.432 6.145 816 1HD1 LEU 96 1HD1 LEU 96 6.746 -31.425 5.840 817 2HD1 LEU 96 2HD1 LEU 96 8.202 -30.434 5.743 818 3HD1 LEU 96 3HD1 LEU 96 6.960 -30.306 4.495 819 1HD2 LEU 96 1HD2 LEU 96 6.292 -30.591 8.097 820 2HD2 LEU 96 2HD2 LEU 96 6.129 -28.863 8.399 821 3HD2 LEU 96 3HD2 LEU 96 7.716 -29.552 8.060 Start of MODEL 12 1 1H MET 1 1H MET 1 -4.603 11.025 -12.731 2 2H MET 1 2H MET 1 -4.260 10.400 -14.266 3 3H MET 1 3H MET 1 -4.725 12.016 -14.095 4 HA MET 1 HA MET 1 -2.323 11.690 -14.486 5 1HB MET 1 2HB MET 1 -3.206 12.973 -11.893 6 2HB MET 1 1HB MET 1 -1.606 13.182 -12.586 7 1HG MET 1 2HG MET 1 -2.991 15.085 -13.095 8 2HG MET 1 1HG MET 1 -2.611 14.203 -14.575 9 1HE MET 1 1HE MET 1 -4.547 15.639 -15.746 10 2HE MET 1 2HE MET 1 -4.973 16.417 -14.224 11 3HE MET 1 3HE MET 1 -6.223 15.650 -15.205 12 HA PRO 2 HA PRO 2 -0.925 8.217 -11.948 13 1HB PRO 2 2HB PRO 2 1.238 7.977 -13.866 14 2HB PRO 2 1HB PRO 2 -0.084 6.855 -13.545 15 1HG PRO 2 2HG PRO 2 0.153 8.275 -15.861 16 2HG PRO 2 1HG PRO 2 -1.397 7.723 -15.204 17 1HD PRO 2 2HD PRO 2 -0.133 10.436 -15.061 18 2HD PRO 2 1HD PRO 2 -1.837 9.999 -15.326 19 H ALA 3 H ALA 3 -0.074 9.177 -10.161 20 HA ALA 3 HA ALA 3 2.699 10.022 -10.273 21 1HB ALA 3 1HB ALA 3 0.540 11.862 -9.239 22 2HB ALA 3 2HB ALA 3 1.481 12.098 -10.711 23 3HB ALA 3 3HB ALA 3 2.276 12.150 -9.137 24 H ILE 4 H ILE 4 3.451 10.579 -7.962 25 HA ILE 4 HA ILE 4 2.383 8.476 -6.219 26 HB ILE 4 HB ILE 4 5.051 9.906 -6.076 27 1HG1 ILE 4 2HG1 ILE 4 5.857 7.472 -6.516 28 2HG1 ILE 4 1HG1 ILE 4 4.221 7.201 -7.104 29 1HG2 ILE 4 1HG2 ILE 4 3.979 7.645 -4.397 30 2HG2 ILE 4 2HG2 ILE 4 4.270 9.300 -3.863 31 3HG2 ILE 4 3HG2 ILE 4 5.625 8.276 -4.336 32 1HD1 ILE 4 1HD1 ILE 4 5.745 7.674 -8.930 33 2HD1 ILE 4 2HD1 ILE 4 6.176 9.216 -8.190 34 3HD1 ILE 4 3HD1 ILE 4 4.535 8.947 -8.779 35 H GLU 5 H GLU 5 0.769 9.361 -5.075 36 HA GLU 5 HA GLU 5 1.348 11.808 -3.547 37 1HB GLU 5 2HB GLU 5 -1.241 10.800 -4.725 38 2HB GLU 5 1HB GLU 5 -1.197 12.026 -3.466 39 1HG GLU 5 2HG GLU 5 0.133 12.268 -6.155 40 2HG GLU 5 1HG GLU 5 -1.430 12.961 -5.727 41 H VAL 6 H VAL 6 0.576 11.888 -1.399 42 HA VAL 6 HA VAL 6 0.794 9.516 0.065 43 HB VAL 6 HB VAL 6 -0.124 10.821 1.987 44 1HG1 VAL 6 1HG1 VAL 6 2.034 12.169 0.369 45 2HG1 VAL 6 2HG1 VAL 6 2.254 10.830 1.497 46 3HG1 VAL 6 3HG1 VAL 6 1.744 12.409 2.093 47 1HG2 VAL 6 1HG2 VAL 6 -1.689 12.251 0.765 48 2HG2 VAL 6 2HG2 VAL 6 -0.339 13.049 -0.043 49 3HG2 VAL 6 3HG2 VAL 6 -0.548 13.220 1.699 50 HN2 GLY 7 H GLY 7 -0.583 7.979 0.614 51 1HA GLY 7 2HA GLY 7 -2.659 7.048 1.196 52 2HA GLY 7 1HA GLY 7 -3.454 8.483 0.567 53 H ARG 8 H ARG 8 -1.303 7.653 -1.759 54 HA ARG 8 HA ARG 8 -3.404 6.340 -3.295 55 1HB ARG 8 2HB ARG 8 -2.096 8.328 -4.168 56 2HB ARG 8 1HB ARG 8 -0.704 7.262 -4.284 57 1HG ARG 8 2HG ARG 8 -1.764 5.921 -5.929 58 2HG ARG 8 1HG ARG 8 -3.313 6.732 -5.681 59 1HD ARG 8 2HD ARG 8 -2.288 8.841 -6.457 60 2HD ARG 8 1HD ARG 8 -0.790 7.970 -6.780 61 HE ARG 8 HE ARG 8 -2.458 6.564 -8.264 62 1HH1 ARG 8 1HH1 ARG 8 -2.279 10.040 -7.876 63 2HH1 ARG 8 2HH1 ARG 8 -2.825 10.382 -9.488 64 1HH2 ARG 8 1HH2 ARG 8 -3.166 6.988 -10.378 65 2HH2 ARG 8 2HH2 ARG 8 -3.340 8.630 -10.926 66 H ILE 9 H ILE 9 -3.475 4.240 -3.513 67 HA ILE 9 HA ILE 9 -1.545 2.525 -2.345 68 HB ILE 9 HB ILE 9 -3.775 1.754 -4.234 69 1HG1 ILE 9 2HG1 ILE 9 -3.864 1.984 -1.217 70 2HG1 ILE 9 1HG1 ILE 9 -4.563 3.159 -2.326 71 1HG2 ILE 9 1HG2 ILE 9 -2.164 -0.020 -3.826 72 2HG2 ILE 9 2HG2 ILE 9 -3.694 -0.389 -3.029 73 3HG2 ILE 9 3HG2 ILE 9 -2.329 0.208 -2.087 74 1HD1 ILE 9 1HD1 ILE 9 -6.245 1.646 -1.422 75 2HD1 ILE 9 2HD1 ILE 9 -5.370 0.271 -2.095 76 3HD1 ILE 9 3HD1 ILE 9 -6.090 1.467 -3.171 77 H CYS 10 H CYS 10 0.232 1.658 -3.202 78 HA CYS 10 HA CYS 10 0.421 1.445 -6.131 79 1HB CYS 10 2HB CYS 10 2.668 2.307 -4.297 80 2HB CYS 10 1HB CYS 10 2.736 2.174 -6.053 81 HG CYS 10 HG CYS 10 0.782 4.411 -4.342 82 H VAL 11 H VAL 11 1.637 -0.361 -6.894 83 HA VAL 11 HA VAL 11 2.548 -2.280 -4.910 84 HB VAL 11 HB VAL 11 0.175 -2.729 -4.928 85 1HG1 VAL 11 1HG1 VAL 11 -0.387 -1.797 -7.109 86 2HG1 VAL 11 2HG1 VAL 11 -1.010 -3.439 -6.945 87 3HG1 VAL 11 3HG1 VAL 11 0.441 -3.137 -7.904 88 1HG2 VAL 11 1HG2 VAL 11 1.640 -4.647 -4.690 89 2HG2 VAL 11 2HG2 VAL 11 1.701 -4.841 -6.441 90 3HG2 VAL 11 3HG2 VAL 11 0.184 -5.095 -5.579 91 H LYS 12 H LYS 12 3.980 -3.710 -5.636 92 HA LYS 12 HA LYS 12 5.502 -4.766 -6.864 93 1HB LYS 12 2HB LYS 12 4.592 -6.091 -8.732 94 2HB LYS 12 1HB LYS 12 3.725 -6.232 -7.228 95 1HG LYS 12 2HG LYS 12 2.102 -6.195 -8.924 96 2HG LYS 12 1HG LYS 12 2.041 -4.616 -8.152 97 1HD LYS 12 2HD LYS 12 1.854 -4.411 -10.566 98 2HD LYS 12 1HD LYS 12 3.352 -3.672 -9.996 99 1HE LYS 12 2HE LYS 12 4.641 -5.532 -10.747 100 2HE LYS 12 1HE LYS 12 3.189 -6.473 -11.090 101 1HZ LYS 12 1HZ LYS 12 2.684 -5.146 -12.927 102 2HZ LYS 12 2HZ LYS 12 4.358 -5.365 -13.041 103 3HZ LYS 12 3HZ LYS 12 3.735 -3.901 -12.455 104 H VAL 13 H VAL 13 6.492 -5.227 -9.066 105 HA VAL 13 HA VAL 13 6.548 -2.819 -10.758 106 HB VAL 13 HB VAL 13 8.999 -4.379 -9.904 107 1HG1 VAL 13 1HG1 VAL 13 9.195 -3.556 -12.180 108 2HG1 VAL 13 2HG1 VAL 13 10.253 -2.643 -11.104 109 3HG1 VAL 13 3HG1 VAL 13 8.733 -1.936 -11.652 110 1HG2 VAL 13 1HG2 VAL 13 8.170 -2.967 -8.100 111 2HG2 VAL 13 2HG2 VAL 13 8.154 -1.578 -9.186 112 3HG2 VAL 13 3HG2 VAL 13 9.684 -2.339 -8.750 113 H LYS 14 H LYS 14 8.068 -6.059 -10.647 114 HA LYS 14 HA LYS 14 7.091 -6.483 -13.398 115 1HB LYS 14 2HB LYS 14 9.621 -6.304 -13.014 116 2HB LYS 14 1HB LYS 14 9.499 -7.837 -12.165 117 1HG LYS 14 2HG LYS 14 8.861 -8.985 -14.122 118 2HG LYS 14 1HG LYS 14 8.554 -7.482 -14.992 119 1HD LYS 14 2HD LYS 14 10.978 -6.954 -14.814 120 2HD LYS 14 1HD LYS 14 11.229 -8.545 -14.090 121 1HE LYS 14 2HE LYS 14 10.533 -9.649 -16.073 122 2HE LYS 14 1HE LYS 14 9.931 -8.150 -16.777 123 1HZ LYS 14 1HZ LYS 14 12.034 -8.758 -17.760 124 2HZ LYS 14 2HZ LYS 14 12.782 -8.815 -16.242 125 3HZ LYS 14 3HZ LYS 14 12.221 -7.334 -16.858 126 HN2 GLY 15 H GLY 15 7.118 -9.052 -13.804 127 1HA GLY 15 2HA GLY 15 5.178 -10.083 -11.922 128 2HA GLY 15 1HA GLY 15 5.677 -10.838 -13.428 129 H ARG 16 H ARG 16 8.106 -9.832 -11.193 130 HA ARG 16 HA ARG 16 8.304 -12.444 -9.944 131 1HB ARG 16 2HB ARG 16 9.615 -12.558 -12.095 132 2HB ARG 16 1HB ARG 16 10.653 -11.292 -11.457 133 1HG ARG 16 2HG ARG 16 11.329 -12.733 -9.626 134 2HG ARG 16 1HG ARG 16 10.235 -13.995 -10.197 135 1HD ARG 16 2HD ARG 16 11.508 -14.032 -12.341 136 2HD ARG 16 1HD ARG 16 12.659 -12.905 -11.621 137 HE ARG 16 HE ARG 16 12.238 -15.317 -10.086 138 1HH1 ARG 16 1HH1 ARG 16 14.113 -13.782 -12.612 139 2HH1 ARG 16 2HH1 ARG 16 15.461 -14.867 -12.454 140 1HH2 ARG 16 1HH2 ARG 16 13.986 -16.761 -9.898 141 2HH2 ARG 16 2HH2 ARG 16 15.377 -16.576 -10.919 142 H GLU 17 H GLU 17 8.521 -12.023 -7.877 143 HA GLU 17 HA GLU 17 9.086 -11.097 -5.891 144 1HB GLU 17 2HB GLU 17 11.353 -10.635 -7.411 145 2HB GLU 17 1HB GLU 17 10.936 -9.033 -6.824 146 1HG GLU 17 2HG GLU 17 11.326 -11.465 -5.092 147 2HG GLU 17 1HG GLU 17 12.528 -10.207 -5.370 148 H ALA 18 H ALA 18 8.588 -9.235 -4.636 149 HA ALA 18 HA ALA 18 7.272 -7.485 -4.070 150 1HB ALA 18 1HB ALA 18 7.204 -5.522 -5.502 151 2HB ALA 18 2HB ALA 18 7.856 -6.460 -6.845 152 3HB ALA 18 3HB ALA 18 8.840 -6.171 -5.412 153 HN2 GLY 19 H GLY 19 5.352 -8.529 -3.790 154 1HA GLY 19 2HA GLY 19 3.422 -8.182 -5.994 155 2HA GLY 19 1HA GLY 19 3.512 -9.711 -5.130 156 H SER 20 H SER 20 4.110 -6.918 -3.273 157 HA SER 20 HA SER 20 1.462 -7.209 -2.016 158 1HB SER 20 2HB SER 20 2.685 -6.263 0.024 159 2HB SER 20 1HB SER 20 3.119 -7.901 -0.460 160 HG SER 20 HG SER 20 4.603 -5.549 -0.591 161 H LYS 21 H LYS 21 0.399 -5.321 -1.265 162 HA LYS 21 HA LYS 21 1.036 -2.968 -2.865 163 1HB LYS 21 2HB LYS 21 -1.386 -3.493 -1.131 164 2HB LYS 21 1HB LYS 21 -1.189 -2.173 -2.271 165 1HG LYS 21 2HG LYS 21 -0.932 -3.999 -4.050 166 2HG LYS 21 1HG LYS 21 -1.600 -5.087 -2.832 167 1HD LYS 21 2HD LYS 21 -3.575 -3.652 -2.641 168 2HD LYS 21 1HD LYS 21 -2.905 -2.564 -3.857 169 1HE LYS 21 2HE LYS 21 -4.381 -3.885 -5.072 170 2HE LYS 21 1HE LYS 21 -2.820 -4.651 -5.362 171 1HZ LYS 21 1HZ LYS 21 -4.917 -5.540 -3.460 172 2HZ LYS 21 2HZ LYS 21 -3.374 -6.232 -3.558 173 3HZ LYS 21 3HZ LYS 21 -4.429 -6.326 -4.877 174 H CYS 22 H CYS 22 1.412 -0.936 -1.994 175 HA CYS 22 HA CYS 22 1.517 -0.696 0.922 176 1HB CYS 22 2HB CYS 22 3.816 0.060 -0.898 177 2HB CYS 22 1HB CYS 22 3.745 0.329 0.838 178 HG CYS 22 HG CYS 22 3.181 -2.816 0.474 179 H VAL 23 H VAL 23 1.457 1.481 1.663 180 HA VAL 23 HA VAL 23 0.526 3.403 -0.368 181 HB VAL 23 HB VAL 23 -0.499 3.106 2.466 182 1HG1 VAL 23 1HG1 VAL 23 -2.123 4.820 1.867 183 2HG1 VAL 23 2HG1 VAL 23 -1.400 4.964 0.265 184 3HG1 VAL 23 3HG1 VAL 23 -0.478 5.434 1.693 185 1HG2 VAL 23 1HG2 VAL 23 -2.603 2.413 1.432 186 2HG2 VAL 23 2HG2 VAL 23 -1.291 1.314 1.004 187 3HG2 VAL 23 3HG2 VAL 23 -1.856 2.511 -0.162 188 H ILE 24 H ILE 24 1.761 5.166 -0.483 189 HA ILE 24 HA ILE 24 3.816 5.708 1.431 190 HB ILE 24 HB ILE 24 2.817 7.377 -0.892 191 1HG1 ILE 24 2HG1 ILE 24 5.129 6.702 -1.806 192 2HG1 ILE 24 1HG1 ILE 24 5.125 5.465 -0.557 193 1HG2 ILE 24 1HG2 ILE 24 5.293 7.784 0.779 194 2HG2 ILE 24 2HG2 ILE 24 3.836 8.773 0.849 195 3HG2 ILE 24 3HG2 ILE 24 4.807 8.740 -0.622 196 1HD1 ILE 24 1HD1 ILE 24 3.107 5.746 -2.771 197 2HD1 ILE 24 2HD1 ILE 24 3.095 4.505 -1.518 198 3HD1 ILE 24 3HD1 ILE 24 4.412 4.564 -2.689 199 H VAL 25 H VAL 25 3.619 6.812 3.277 200 HA VAL 25 HA VAL 25 1.216 8.465 3.620 201 HB VAL 25 HB VAL 25 1.444 6.591 5.209 202 1HG1 VAL 25 1HG1 VAL 25 3.928 8.018 6.150 203 2HG1 VAL 25 2HG1 VAL 25 3.867 6.456 5.331 204 3HG1 VAL 25 3HG1 VAL 25 3.171 6.634 6.942 205 1HG2 VAL 25 1HG2 VAL 25 0.239 8.592 5.870 206 2HG2 VAL 25 2HG2 VAL 25 1.731 9.300 6.489 207 3HG2 VAL 25 3HG2 VAL 25 1.055 7.860 7.251 208 H ASP 26 H ASP 26 4.712 8.490 3.711 209 HA ASP 26 HA ASP 26 4.643 11.394 3.721 210 1HB ASP 26 2HB ASP 26 4.859 10.670 6.135 211 2HB ASP 26 1HB ASP 26 6.413 9.959 5.710 212 H ILE 27 H ILE 27 6.176 12.240 2.447 213 HA ILE 27 HA ILE 27 7.999 10.368 1.133 214 HB ILE 27 HB ILE 27 7.290 13.211 0.385 215 1HG1 ILE 27 2HG1 ILE 27 6.371 10.608 -0.858 216 2HG1 ILE 27 1HG1 ILE 27 5.392 11.612 0.206 217 1HG2 ILE 27 1HG2 ILE 27 8.812 11.113 -1.161 218 2HG2 ILE 27 2HG2 ILE 27 9.503 12.550 -0.407 219 3HG2 ILE 27 3HG2 ILE 27 8.369 12.717 -1.749 220 1HD1 ILE 27 1HD1 ILE 27 4.785 11.987 -2.096 221 2HD1 ILE 27 2HD1 ILE 27 6.454 12.390 -2.500 222 3HD1 ILE 27 3HD1 ILE 27 5.528 13.440 -1.427 223 H ILE 28 H ILE 28 9.904 10.194 2.107 224 HA ILE 28 HA ILE 28 11.070 12.517 3.443 225 HB ILE 28 HB ILE 28 12.063 9.662 3.497 226 1HG1 ILE 28 2HG1 ILE 28 10.337 11.113 5.521 227 2HG1 ILE 28 1HG1 ILE 28 9.770 9.861 4.421 228 1HG2 ILE 28 1HG2 ILE 28 13.264 10.417 5.524 229 2HG2 ILE 28 2HG2 ILE 28 12.697 12.060 5.218 230 3HG2 ILE 28 3HG2 ILE 28 13.776 11.270 4.067 231 1HD1 ILE 28 1HD1 ILE 28 11.826 9.504 6.583 232 2HD1 ILE 28 2HD1 ILE 28 11.253 8.248 5.484 233 3HD1 ILE 28 3HD1 ILE 28 10.143 8.979 6.646 234 H ASP 29 H ASP 29 12.511 9.811 1.628 235 HA ASP 29 HA ASP 29 14.137 11.780 0.149 236 1HB ASP 29 2HB ASP 29 14.781 8.882 0.748 237 2HB ASP 29 1HB ASP 29 15.810 10.001 -0.131 238 H ASP 30 H ASP 30 14.827 10.929 -2.041 239 HA ASP 30 HA ASP 30 12.618 9.739 -3.463 240 1HB ASP 30 2HB ASP 30 15.388 10.609 -4.287 241 2HB ASP 30 1HB ASP 30 14.302 9.782 -5.397 242 H ASN 31 H ASN 31 15.265 8.678 -1.707 243 HA ASN 31 HA ASN 31 15.442 6.100 -3.052 244 1HB ASN 31 2HB ASN 31 16.988 7.240 -0.713 245 2HB ASN 31 1HB ASN 31 17.261 5.647 -1.413 246 1HD2 ASN 31 1HD2 ASN 31 18.251 5.473 -3.408 247 2HD2 ASN 31 2HD2 ASN 31 19.059 6.804 -4.166 248 H PHE 32 H PHE 32 14.433 7.493 0.048 249 HA PHE 32 HA PHE 32 13.014 5.008 0.637 250 1HB PHE 32 2HB PHE 32 14.854 6.476 2.531 251 2HB PHE 32 1HB PHE 32 13.745 5.202 3.010 252 HD1 PHE 32 HD1 PHE 32 14.114 2.886 2.235 253 HD2 PHE 32 HD2 PHE 32 16.930 5.991 1.490 254 HE1 PHE 32 HE1 PHE 32 15.837 1.201 1.744 255 HE2 PHE 32 HE2 PHE 32 18.656 4.310 0.994 256 HZ PHE 32 HZ PHE 32 18.109 1.910 1.123 257 H VAL 33 H VAL 33 10.936 5.479 1.010 258 HA VAL 33 HA VAL 33 10.320 8.019 2.382 259 HB VAL 33 HB VAL 33 8.017 7.820 1.393 260 1HG1 VAL 33 1HG1 VAL 33 9.648 9.394 0.511 261 2HG1 VAL 33 2HG1 VAL 33 8.637 8.737 -0.779 262 3HG1 VAL 33 3HG1 VAL 33 10.285 8.146 -0.563 263 1HG2 VAL 33 1HG2 VAL 33 8.066 5.463 0.801 264 2HG2 VAL 33 2HG2 VAL 33 9.347 5.767 -0.372 265 3HG2 VAL 33 3HG2 VAL 33 7.742 6.454 -0.619 266 H LEU 34 H LEU 34 8.124 7.842 3.555 267 HA LEU 34 HA LEU 34 8.220 5.376 5.124 268 1HB LEU 34 2HB LEU 34 8.278 7.583 6.282 269 2HB LEU 34 1HB LEU 34 6.680 7.925 5.647 270 HG LEU 34 HG LEU 34 5.778 6.003 6.896 271 1HD1 LEU 34 1HD1 LEU 34 8.566 5.798 8.029 272 2HD1 LEU 34 2HD1 LEU 34 7.788 4.626 6.965 273 3HD1 LEU 34 3HD1 LEU 34 7.152 4.902 8.587 274 1HD2 LEU 34 1HD2 LEU 34 5.728 8.230 7.878 275 2HD2 LEU 34 2HD2 LEU 34 7.327 7.968 8.577 276 3HD2 LEU 34 3HD2 LEU 34 5.956 6.998 9.117 277 H VAL 35 H VAL 35 6.937 3.803 4.508 278 HA VAL 35 HA VAL 35 4.350 4.486 3.286 279 HB VAL 35 HB VAL 35 4.407 2.265 2.196 280 1HG1 VAL 35 1HG1 VAL 35 6.087 2.793 0.506 281 2HG1 VAL 35 2HG1 VAL 35 6.810 3.982 1.589 282 3HG1 VAL 35 3HG1 VAL 35 5.174 4.226 0.976 283 1HG2 VAL 35 1HG2 VAL 35 7.223 2.110 3.271 284 2HG2 VAL 35 2HG2 VAL 35 6.489 0.982 2.132 285 3HG2 VAL 35 3HG2 VAL 35 5.861 1.108 3.775 286 H THR 36 H THR 36 2.531 3.283 3.928 287 HA THR 36 HA THR 36 2.895 1.550 6.254 288 HB THR 36 HB THR 36 2.465 3.813 7.145 289 HG1 THR 36 HG1 THR 36 0.110 2.302 7.570 290 1HG2 THR 36 1HG2 THR 36 1.147 4.717 5.294 291 2HG2 THR 36 2HG2 THR 36 0.282 4.875 6.823 292 3HG2 THR 36 3HG2 THR 36 -0.168 3.607 5.683 293 HN2 GLY 37 H GLY 37 1.319 0.019 6.524 294 1HA GLY 37 2HA GLY 37 -0.828 -0.033 4.508 295 2HA GLY 37 1HA GLY 37 0.090 -1.477 4.926 296 HA PRO 38 HA PRO 38 -3.632 -0.435 7.909 297 1HB PRO 38 2HB PRO 38 -5.003 -2.496 6.263 298 2HB PRO 38 1HB PRO 38 -5.654 -1.026 6.995 299 1HG PRO 38 2HG PRO 38 -5.207 -1.169 4.367 300 2HG PRO 38 1HG PRO 38 -4.902 0.325 5.273 301 1HD PRO 38 2HD PRO 38 -2.963 -1.700 4.243 302 2HD PRO 38 1HD PRO 38 -2.807 0.065 4.344 303 H LYS 39 H LYS 39 -2.818 -1.474 9.630 304 HA LYS 39 HA LYS 39 -1.558 -4.003 9.501 305 1HB LYS 39 2HB LYS 39 -2.405 -2.227 11.770 306 2HB LYS 39 1HB LYS 39 -1.731 -3.822 12.072 307 1HG LYS 39 2HG LYS 39 0.294 -3.183 10.843 308 2HG LYS 39 1HG LYS 39 -0.380 -1.571 10.598 309 1HD LYS 39 2HD LYS 39 1.229 -1.711 12.489 310 2HD LYS 39 1HD LYS 39 -0.371 -1.145 12.961 311 1HE LYS 39 2HE LYS 39 0.552 -2.764 14.562 312 2HE LYS 39 1HE LYS 39 -0.934 -3.343 13.811 313 1HZ LYS 39 1HZ LYS 39 0.695 -5.096 13.921 314 2HZ LYS 39 2HZ LYS 39 1.831 -4.161 13.087 315 3HZ LYS 39 3HZ LYS 39 0.424 -4.687 12.300 316 H ASP 40 H ASP 40 -4.805 -2.987 10.157 317 HA ASP 40 HA ASP 40 -5.598 -5.534 11.278 318 1HB ASP 40 2HB ASP 40 -6.693 -3.571 12.117 319 2HB ASP 40 1HB ASP 40 -7.142 -3.064 10.495 320 H ILE 41 H ILE 41 -5.435 -4.063 8.167 321 HA ILE 41 HA ILE 41 -7.339 -5.987 7.058 322 HB ILE 41 HB ILE 41 -6.077 -3.585 5.732 323 1HG1 ILE 41 2HG1 ILE 41 -8.880 -3.977 6.814 324 2HG1 ILE 41 1HG1 ILE 41 -7.620 -3.046 7.610 325 1HG2 ILE 41 1HG2 ILE 41 -6.709 -5.350 4.145 326 2HG2 ILE 41 2HG2 ILE 41 -7.737 -3.927 3.979 327 3HG2 ILE 41 3HG2 ILE 41 -8.344 -5.358 4.811 328 1HD1 ILE 41 1HD1 ILE 41 -9.172 -1.595 6.462 329 2HD1 ILE 41 2HD1 ILE 41 -8.861 -2.431 4.940 330 3HD1 ILE 41 3HD1 ILE 41 -7.578 -1.502 5.714 331 H THR 42 H THR 42 -4.167 -4.640 6.050 332 HA THR 42 HA THR 42 -3.686 -7.091 4.543 333 HB THR 42 HB THR 42 -1.625 -5.812 3.748 334 HG1 THR 42 HG1 THR 42 -1.731 -3.543 4.086 335 1HG2 THR 42 1HG2 THR 42 -3.639 -6.034 2.384 336 2HG2 THR 42 2HG2 THR 42 -2.917 -4.438 2.182 337 3HG2 THR 42 3HG2 THR 42 -4.349 -4.635 3.191 338 HN2 GLY 43 H GLY 43 -2.324 -5.212 7.199 339 1HA GLY 43 2HA GLY 43 -0.937 -5.850 8.923 340 2HA GLY 43 1HA GLY 43 -1.210 -7.517 8.434 341 H VAL 44 H VAL 44 0.493 -4.627 7.236 342 HA VAL 44 HA VAL 44 2.667 -6.404 6.364 343 HB VAL 44 HB VAL 44 1.554 -5.024 4.593 344 1HG1 VAL 44 1HG1 VAL 44 1.094 -3.028 5.912 345 2HG1 VAL 44 2HG1 VAL 44 2.020 -2.639 4.463 346 3HG1 VAL 44 3HG1 VAL 44 2.822 -2.700 6.031 347 1HG2 VAL 44 1HG2 VAL 44 3.642 -4.259 3.541 348 2HG2 VAL 44 2HG2 VAL 44 3.807 -5.863 4.258 349 3HG2 VAL 44 3HG2 VAL 44 4.478 -4.454 5.082 350 H LYS 45 H LYS 45 4.790 -5.911 6.887 351 HA LYS 45 HA LYS 45 5.212 -4.558 9.362 352 1HB LYS 45 2HB LYS 45 6.454 -6.583 8.618 353 2HB LYS 45 1HB LYS 45 7.223 -5.618 7.369 354 1HG LYS 45 2HG LYS 45 8.410 -4.332 8.984 355 2HG LYS 45 1HG LYS 45 7.488 -5.044 10.312 356 1HD LYS 45 2HD LYS 45 9.284 -6.604 8.450 357 2HD LYS 45 1HD LYS 45 9.769 -6.013 10.042 358 1HE LYS 45 2HE LYS 45 8.147 -7.380 11.131 359 2HE LYS 45 1HE LYS 45 7.389 -7.806 9.598 360 1HZ LYS 45 1HZ LYS 45 10.156 -8.568 10.387 361 2HZ LYS 45 2HZ LYS 45 9.334 -9.053 8.982 362 3HZ LYS 45 3HZ LYS 45 8.799 -9.583 10.500 363 H ARG 46 H ARG 46 5.401 -2.425 9.583 364 HA ARG 46 HA ARG 46 5.591 -0.774 7.225 365 1HB ARG 46 2HB ARG 46 3.970 -0.205 8.937 366 2HB ARG 46 1HB ARG 46 5.246 -0.049 10.137 367 1HG ARG 46 2HG ARG 46 6.064 1.920 9.182 368 2HG ARG 46 1HG ARG 46 5.205 1.648 7.667 369 1HD ARG 46 2HD ARG 46 4.128 3.402 8.939 370 2HD ARG 46 1HD ARG 46 3.075 1.997 8.826 371 HE ARG 46 HE ARG 46 4.669 2.087 11.226 372 1HH1 ARG 46 1HH1 ARG 46 1.664 3.019 9.694 373 2HH1 ARG 46 2HH1 ARG 46 0.832 3.283 11.194 374 1HH2 ARG 46 1HH2 ARG 46 3.570 2.427 13.221 375 2HH2 ARG 46 2HH2 ARG 46 1.898 2.933 13.196 376 H ARG 47 H ARG 47 7.503 -0.411 6.365 377 HA ARG 47 HA ARG 47 9.603 0.772 8.015 378 1HB ARG 47 2HB ARG 47 10.114 -1.538 6.115 379 2HB ARG 47 1HB ARG 47 11.341 -0.649 7.009 380 1HG ARG 47 2HG ARG 47 10.481 -1.478 9.102 381 2HG ARG 47 1HG ARG 47 9.139 -2.266 8.277 382 1HD ARG 47 2HD ARG 47 10.709 -3.962 8.726 383 2HD ARG 47 1HD ARG 47 10.864 -3.597 7.009 384 HE ARG 47 HE ARG 47 12.717 -2.049 8.445 385 1HH1 ARG 47 1HH1 ARG 47 12.098 -5.388 7.609 386 2HH1 ARG 47 2HH1 ARG 47 13.774 -5.842 7.609 387 1HH2 ARG 47 1HH2 ARG 47 14.914 -2.634 8.499 388 2HH2 ARG 47 2HH2 ARG 47 15.385 -4.267 8.121 389 H ARG 48 H ARG 48 11.481 1.440 6.329 390 HA ARG 48 HA ARG 48 10.089 2.916 4.209 391 1HB ARG 48 2HB ARG 48 12.851 3.206 5.404 392 2HB ARG 48 1HB ARG 48 12.254 4.187 4.072 393 1HG ARG 48 2HG ARG 48 10.636 5.227 5.417 394 2HG ARG 48 1HG ARG 48 10.810 4.027 6.696 395 1HD ARG 48 2HD ARG 48 11.864 6.106 7.346 396 2HD ARG 48 1HD ARG 48 13.074 4.844 7.143 397 HE ARG 48 HE ARG 48 12.603 6.702 4.927 398 1HH1 ARG 48 1HH1 ARG 48 14.629 5.549 7.527 399 2HH1 ARG 48 2HH1 ARG 48 16.050 6.384 6.976 400 1HH2 ARG 48 1HH2 ARG 48 14.494 7.838 4.188 401 2HH2 ARG 48 2HH2 ARG 48 15.979 7.654 5.072 402 H VAL 49 H VAL 49 10.031 2.005 2.241 403 HA VAL 49 HA VAL 49 12.213 0.156 1.510 404 HB VAL 49 HB VAL 49 9.343 -0.399 0.821 405 1HG1 VAL 49 1HG1 VAL 49 10.171 -2.714 0.553 406 2HG1 VAL 49 2HG1 VAL 49 11.801 -2.142 0.917 407 3HG1 VAL 49 3HG1 VAL 49 10.966 -1.565 -0.526 408 1HG2 VAL 49 1HG2 VAL 49 10.834 -1.448 3.227 409 2HG2 VAL 49 2HG2 VAL 49 9.241 -1.982 2.689 410 3HG2 VAL 49 3HG2 VAL 49 9.471 -0.327 3.256 411 H ASN 50 H ASN 50 12.432 2.563 0.522 412 HA ASN 50 HA ASN 50 12.859 3.688 -1.376 413 1HB ASN 50 2HB ASN 50 12.128 1.019 -2.552 414 2HB ASN 50 1HB ASN 50 12.548 2.396 -3.542 415 1HD2 ASN 50 1HD2 ASN 50 14.001 1.634 -0.453 416 2HD2 ASN 50 2HD2 ASN 50 15.570 1.264 -1.071 417 H ILE 51 H ILE 51 11.770 4.154 -3.691 418 HA ILE 51 HA ILE 51 8.869 4.500 -3.245 419 HB ILE 51 HB ILE 51 10.635 6.204 -5.019 420 1HG1 ILE 51 2HG1 ILE 51 9.481 6.843 -2.297 421 2HG1 ILE 51 1HG1 ILE 51 11.185 6.568 -2.652 422 1HG2 ILE 51 1HG2 ILE 51 7.766 6.540 -4.143 423 2HG2 ILE 51 2HG2 ILE 51 8.312 6.057 -5.748 424 3HG2 ILE 51 3HG2 ILE 51 8.680 7.671 -5.142 425 1HD1 ILE 51 1HD1 ILE 51 10.688 8.937 -2.453 426 2HD1 ILE 51 2HD1 ILE 51 9.499 8.807 -3.747 427 3HD1 ILE 51 3HD1 ILE 51 11.206 8.533 -4.088 428 H LEU 52 H LEU 52 11.385 4.052 -5.703 429 HA LEU 52 HA LEU 52 9.479 3.342 -7.749 430 1HB LEU 52 2HB LEU 52 11.633 4.589 -8.126 431 2HB LEU 52 1HB LEU 52 12.486 3.092 -7.804 432 HG LEU 52 HG LEU 52 11.386 2.054 -9.753 433 1HD1 LEU 52 1HD1 LEU 52 10.157 3.463 -11.335 434 2HD1 LEU 52 2HD1 LEU 52 10.235 4.805 -10.193 435 3HD1 LEU 52 3HD1 LEU 52 9.334 3.347 -9.779 436 1HD2 LEU 52 1HD2 LEU 52 12.799 4.649 -10.354 437 2HD2 LEU 52 2HD2 LEU 52 12.611 3.293 -11.465 438 3HD2 LEU 52 3HD2 LEU 52 13.570 3.103 -9.998 439 H HIS 53 H HIS 53 9.415 1.681 -5.433 440 HA HIS 53 HA HIS 53 10.429 -0.882 -6.465 441 1HB HIS 53 2HB HIS 53 11.122 -0.119 -4.140 442 2HB HIS 53 1HB HIS 53 9.438 -0.305 -3.664 443 HD1 HIS 53 HD1 HIS 53 8.753 -2.580 -2.887 444 HD2 HIS 53 HD2 HIS 53 12.332 -2.648 -4.999 445 HE1 HIS 53 HE1 HIS 53 9.632 -4.927 -2.653 446 HE2 HIS 53 HE2 HIS 53 11.724 -4.985 -4.062 447 H LEU 54 H LEU 54 7.821 0.933 -6.709 448 HA LEU 54 HA LEU 54 6.067 -1.309 -7.166 449 1HB LEU 54 2HB LEU 54 4.239 0.028 -5.805 450 2HB LEU 54 1HB LEU 54 5.268 -1.165 -5.045 451 HG LEU 54 HG LEU 54 6.763 0.699 -4.290 452 1HD1 LEU 54 1HD1 LEU 54 6.108 2.392 -5.914 453 2HD1 LEU 54 2HD1 LEU 54 5.874 2.965 -4.262 454 3HD1 LEU 54 3HD1 LEU 54 4.491 2.444 -5.219 455 1HD2 LEU 54 1HD2 LEU 54 5.186 -0.315 -2.776 456 2HD2 LEU 54 2HD2 LEU 54 3.899 0.732 -3.367 457 3HD2 LEU 54 3HD2 LEU 54 5.260 1.421 -2.485 458 H GLU 55 H GLU 55 3.969 -0.574 -8.166 459 HA GLU 55 HA GLU 55 4.421 1.844 -9.783 460 1HB GLU 55 2HB GLU 55 2.706 -0.585 -10.336 461 2HB GLU 55 1HB GLU 55 2.796 0.831 -11.369 462 1HG GLU 55 2HG GLU 55 5.205 0.390 -11.693 463 2HG GLU 55 1HG GLU 55 5.022 -1.092 -10.751 464 HA PRO 56 HA PRO 56 0.896 3.626 -7.739 465 1HB PRO 56 2HB PRO 56 0.546 5.762 -9.357 466 2HB PRO 56 1HB PRO 56 1.883 5.655 -8.204 467 1HG PRO 56 2HG PRO 56 1.876 5.136 -11.151 468 2HG PRO 56 1HG PRO 56 3.079 5.991 -10.167 469 1HD PRO 56 2HD PRO 56 3.378 3.405 -10.988 470 2HD PRO 56 1HD PRO 56 4.093 4.043 -9.494 471 H THR 57 H THR 57 -1.242 3.323 -7.882 472 HA THR 57 HA THR 57 -2.361 2.152 -10.272 473 HB THR 57 HB THR 57 -4.463 2.061 -8.876 474 HG1 THR 57 HG1 THR 57 -2.911 2.645 -6.612 475 1HG2 THR 57 1HG2 THR 57 -1.963 0.856 -7.685 476 2HG2 THR 57 2HG2 THR 57 -2.934 0.163 -8.984 477 3HG2 THR 57 3HG2 THR 57 -3.613 0.321 -7.365 478 H ASP 58 H ASP 58 -4.657 2.977 -10.920 479 HA ASP 58 HA ASP 58 -4.302 5.768 -11.620 480 1HB ASP 58 2HB ASP 58 -6.081 5.457 -13.209 481 2HB ASP 58 1HB ASP 58 -4.995 4.080 -13.325 482 H LYS 59 H LYS 59 -6.768 3.796 -9.968 483 HA LYS 59 HA LYS 59 -8.119 6.214 -9.108 484 1HB LYS 59 2HB LYS 59 -8.742 3.290 -8.797 485 2HB LYS 59 1HB LYS 59 -9.625 4.521 -7.899 486 1HG LYS 59 2HG LYS 59 -10.222 5.597 -10.039 487 2HG LYS 59 1HG LYS 59 -9.427 4.278 -10.894 488 1HD LYS 59 2HD LYS 59 -11.717 3.923 -8.969 489 2HD LYS 59 1HD LYS 59 -11.905 4.057 -10.715 490 1HE LYS 59 2HE LYS 59 -10.383 2.075 -10.938 491 2HE LYS 59 1HE LYS 59 -10.456 1.900 -9.186 492 1HZ LYS 59 1HZ LYS 59 -12.803 1.837 -11.008 493 2HZ LYS 59 2HZ LYS 59 -12.838 1.592 -9.330 494 3HZ LYS 59 3HZ LYS 59 -12.057 0.468 -10.336 495 H LYS 60 H LYS 60 -8.391 6.829 -6.962 496 HA LYS 60 HA LYS 60 -6.289 5.847 -5.161 497 1HB LYS 60 2HB LYS 60 -5.878 8.280 -4.606 498 2HB LYS 60 1HB LYS 60 -5.342 7.771 -6.201 499 1HG LYS 60 2HG LYS 60 -7.250 8.789 -7.234 500 2HG LYS 60 1HG LYS 60 -7.967 9.143 -5.663 501 1HD LYS 60 2HD LYS 60 -5.333 10.275 -6.594 502 2HD LYS 60 1HD LYS 60 -6.881 11.097 -6.800 503 1HE LYS 60 2HE LYS 60 -7.204 11.005 -4.349 504 2HE LYS 60 1HE LYS 60 -5.601 10.289 -4.192 505 1HZ LYS 60 1HZ LYS 60 -4.652 12.285 -5.160 506 2HZ LYS 60 2HZ LYS 60 -5.569 12.677 -3.787 507 3HZ LYS 60 3HZ LYS 60 -6.192 12.969 -5.335 508 H ILE 61 H ILE 61 -6.618 6.300 -2.943 509 HA ILE 61 HA ILE 61 -9.274 7.336 -2.231 510 HB ILE 61 HB ILE 61 -8.825 6.300 0.043 511 1HG1 ILE 61 2HG1 ILE 61 -6.756 4.733 -1.516 512 2HG1 ILE 61 1HG1 ILE 61 -6.391 5.940 -0.289 513 1HG2 ILE 61 1HG2 ILE 61 -9.587 4.078 -0.659 514 2HG2 ILE 61 2HG2 ILE 61 -9.136 4.457 -2.322 515 3HG2 ILE 61 3HG2 ILE 61 -10.423 5.365 -1.528 516 1HD1 ILE 61 1HD1 ILE 61 -7.898 3.383 0.183 517 2HD1 ILE 61 2HD1 ILE 61 -7.457 4.577 1.406 518 3HD1 ILE 61 3HD1 ILE 61 -6.200 3.662 0.567 519 H ASP 62 H ASP 62 -9.112 9.424 -1.802 520 HA ASP 62 HA ASP 62 -6.539 10.557 -1.166 521 1HB ASP 62 2HB ASP 62 -8.193 11.596 -2.756 522 2HB ASP 62 1HB ASP 62 -9.170 12.019 -1.355 523 H ILE 63 H ILE 63 -5.838 10.391 0.824 524 HA ILE 63 HA ILE 63 -7.658 11.051 3.044 525 HB ILE 63 HB ILE 63 -6.105 9.815 4.506 526 1HG1 ILE 63 2HG1 ILE 63 -4.719 9.026 1.930 527 2HG1 ILE 63 1HG1 ILE 63 -4.059 10.103 3.155 528 1HG2 ILE 63 1HG2 ILE 63 -6.673 7.547 3.727 529 2HG2 ILE 63 2HG2 ILE 63 -7.144 8.217 2.165 530 3HG2 ILE 63 3HG2 ILE 63 -8.038 8.657 3.620 531 1HD1 ILE 63 1HD1 ILE 63 -4.012 8.290 4.757 532 2HD1 ILE 63 2HD1 ILE 63 -3.121 7.854 3.298 533 3HD1 ILE 63 3HD1 ILE 63 -4.737 7.203 3.573 534 H GLN 64 H GLN 64 -5.957 11.695 5.022 535 HA GLN 64 HA GLN 64 -4.664 14.100 3.985 536 1HB GLN 64 2HB GLN 64 -5.394 13.251 6.789 537 2HB GLN 64 1HB GLN 64 -4.476 14.708 6.425 538 1HG GLN 64 2HG GLN 64 -6.364 15.479 5.010 539 2HG GLN 64 1HG GLN 64 -7.286 14.076 5.548 540 1HE2 GLN 64 1HE2 GLN 64 -7.753 16.957 5.881 541 2HE2 GLN 64 2HE2 GLN 64 -7.907 17.209 7.594 542 H LYS 65 H LYS 65 -2.564 14.739 4.974 543 HA LYS 65 HA LYS 65 -0.719 12.562 4.534 544 1HB LYS 65 2HB LYS 65 -0.379 14.856 3.606 545 2HB LYS 65 1HB LYS 65 -0.151 15.446 5.247 546 1HG LYS 65 2HG LYS 65 1.842 14.130 5.501 547 2HG LYS 65 1HG LYS 65 1.576 13.360 3.933 548 1HD LYS 65 2HD LYS 65 1.778 15.565 2.849 549 2HD LYS 65 1HD LYS 65 2.124 16.285 4.423 550 1HE LYS 65 2HE LYS 65 3.767 14.063 3.231 551 2HE LYS 65 1HE LYS 65 4.124 15.768 2.970 552 1HZ LYS 65 1HZ LYS 65 3.933 14.529 5.664 553 2HZ LYS 65 2HZ LYS 65 4.517 16.069 5.274 554 3HZ LYS 65 3HZ LYS 65 5.387 14.692 4.807 555 HN2 GLY 66 H GLY 66 0.280 11.392 6.060 556 1HA GLY 66 2HA GLY 66 1.155 10.873 8.177 557 2HA GLY 66 1HA GLY 66 0.487 12.381 8.797 558 H ALA 67 H ALA 67 -0.914 9.583 7.139 559 HA ALA 67 HA ALA 67 -3.084 9.588 9.104 560 1HB ALA 67 1HB ALA 67 -2.974 8.269 6.396 561 2HB ALA 67 2HB ALA 67 -3.706 9.834 6.740 562 3HB ALA 67 3HB ALA 67 -4.377 8.371 7.458 563 H SER 68 H SER 68 -4.088 7.166 9.096 564 HA SER 68 HA SER 68 -1.992 5.205 9.550 565 1HB SER 68 2HB SER 68 -2.958 4.769 11.871 566 2HB SER 68 1HB SER 68 -2.031 6.259 11.691 567 HG SER 68 HG SER 68 -4.439 6.059 12.618 568 H ASP 69 H ASP 69 -3.446 3.292 10.862 569 HA ASP 69 HA ASP 69 -4.875 2.038 8.815 570 1HB ASP 69 2HB ASP 69 -3.822 0.878 10.770 571 2HB ASP 69 1HB ASP 69 -5.109 1.506 11.792 572 H GLU 70 H GLU 70 -5.973 3.865 11.623 573 HA GLU 70 HA GLU 70 -8.702 3.524 11.429 574 1HB GLU 70 2HB GLU 70 -7.340 6.102 12.206 575 2HB GLU 70 1HB GLU 70 -8.885 5.501 12.755 576 1HG GLU 70 2HG GLU 70 -7.579 5.058 14.574 577 2HG GLU 70 1HG GLU 70 -7.473 3.529 13.704 578 H GLU 71 H GLU 71 -6.731 6.125 10.011 579 HA GLU 71 HA GLU 71 -8.867 7.441 8.707 580 1HB GLU 71 2HB GLU 71 -6.841 8.652 9.130 581 2HB GLU 71 1HB GLU 71 -5.883 7.480 8.238 582 1HG GLU 71 2HG GLU 71 -6.071 9.391 6.875 583 2HG GLU 71 1HG GLU 71 -7.127 8.170 6.178 584 H VAL 72 H VAL 72 -6.482 5.088 7.533 585 HA VAL 72 HA VAL 72 -7.352 5.051 4.866 586 HB VAL 72 HB VAL 72 -6.056 2.829 6.464 587 1HG1 VAL 72 1HG1 VAL 72 -6.386 3.121 3.477 588 2HG1 VAL 72 2HG1 VAL 72 -7.161 1.914 4.503 589 3HG1 VAL 72 3HG1 VAL 72 -5.411 1.890 4.282 590 1HG2 VAL 72 1HG2 VAL 72 -3.994 3.556 5.386 591 2HG2 VAL 72 2HG2 VAL 72 -4.704 4.858 6.336 592 3HG2 VAL 72 3HG2 VAL 72 -4.861 4.861 4.580 593 H LYS 73 H LYS 73 -8.398 3.227 7.705 594 HA LYS 73 HA LYS 73 -10.103 1.451 6.316 595 1HB LYS 73 2HB LYS 73 -9.174 1.270 8.704 596 2HB LYS 73 1HB LYS 73 -10.510 2.311 9.167 597 1HG LYS 73 2HG LYS 73 -11.966 0.632 9.112 598 2HG LYS 73 1HG LYS 73 -11.380 0.074 7.541 599 1HD LYS 73 2HD LYS 73 -11.013 -1.672 9.152 600 2HD LYS 73 1HD LYS 73 -9.451 -0.986 8.704 601 1HE LYS 73 2HE LYS 73 -9.695 0.490 10.768 602 2HE LYS 73 1HE LYS 73 -11.011 -0.582 11.243 603 1HZ LYS 73 1HZ LYS 73 -9.201 -1.517 12.286 604 2HZ LYS 73 2HZ LYS 73 -8.130 -1.151 11.022 605 3HZ LYS 73 3HZ LYS 73 -9.248 -2.421 10.851 606 H LYS 74 H LYS 74 -10.643 4.598 7.847 607 HA LYS 74 HA LYS 74 -13.424 4.722 7.574 608 1HB LYS 74 2HB LYS 74 -11.387 6.952 7.388 609 2HB LYS 74 1HB LYS 74 -13.120 7.205 7.508 610 1HG LYS 74 2HG LYS 74 -11.378 5.885 9.577 611 2HG LYS 74 1HG LYS 74 -12.027 7.526 9.647 612 1HD LYS 74 2HD LYS 74 -14.326 6.484 9.494 613 2HD LYS 74 1HD LYS 74 -13.540 4.924 9.756 614 1HE LYS 74 2HE LYS 74 -14.323 5.710 11.871 615 2HE LYS 74 1HE LYS 74 -12.566 5.852 11.859 616 1HZ LYS 74 1HZ LYS 74 -12.789 8.211 11.373 617 2HZ LYS 74 2HZ LYS 74 -13.623 7.823 12.797 618 3HZ LYS 74 3HZ LYS 74 -14.478 8.073 11.354 619 H LYS 75 H LYS 75 -10.919 5.960 5.364 620 HA LYS 75 HA LYS 75 -12.728 6.705 3.320 621 1HB LYS 75 2HB LYS 75 -9.775 6.320 3.490 622 2HB LYS 75 1HB LYS 75 -10.508 6.420 1.895 623 1HG LYS 75 2HG LYS 75 -9.682 8.583 2.627 624 2HG LYS 75 1HG LYS 75 -11.435 8.602 2.439 625 1HD LYS 75 2HD LYS 75 -11.706 8.372 4.855 626 2HD LYS 75 1HD LYS 75 -9.955 8.301 5.053 627 1HE LYS 75 2HE LYS 75 -9.732 10.548 4.189 628 2HE LYS 75 1HE LYS 75 -11.463 10.626 3.870 629 1HZ LYS 75 1HZ LYS 75 -10.355 10.185 6.586 630 2HZ LYS 75 2HZ LYS 75 -11.938 10.635 6.158 631 3HZ LYS 75 3HZ LYS 75 -10.662 11.731 5.960 632 H LEU 76 H LEU 76 -10.912 3.746 3.929 633 HA LEU 76 HA LEU 76 -11.445 2.520 1.444 634 1HB LEU 76 2HB LEU 76 -9.793 1.927 3.418 635 2HB LEU 76 1HB LEU 76 -11.118 0.893 3.919 636 HG LEU 76 HG LEU 76 -11.034 -0.264 1.746 637 1HD1 LEU 76 1HD1 LEU 76 -8.660 1.530 1.241 638 2HD1 LEU 76 2HD1 LEU 76 -10.195 1.543 0.367 639 3HD1 LEU 76 3HD1 LEU 76 -9.122 0.145 0.250 640 1HD2 LEU 76 1HD2 LEU 76 -8.382 -0.132 3.181 641 2HD2 LEU 76 2HD2 LEU 76 -8.916 -1.431 2.116 642 3HD2 LEU 76 3HD2 LEU 76 -9.758 -1.136 3.636 643 H GLU 77 H GLU 77 -13.181 2.557 4.516 644 HA GLU 77 HA GLU 77 -15.175 0.666 3.760 645 1HB GLU 77 2HB GLU 77 -14.611 1.452 6.132 646 2HB GLU 77 1HB GLU 77 -15.524 2.906 5.758 647 1HG GLU 77 2HG GLU 77 -17.497 1.492 5.262 648 2HG GLU 77 1HG GLU 77 -16.578 0.087 5.799 649 H GLU 78 H GLU 78 -14.973 4.188 3.718 650 HA GLU 78 HA GLU 78 -17.563 4.760 2.827 651 1HB GLU 78 2HB GLU 78 -15.900 6.392 3.725 652 2HB GLU 78 1HB GLU 78 -15.035 6.291 2.204 653 1HG GLU 78 2HG GLU 78 -16.916 7.224 1.020 654 2HG GLU 78 1HG GLU 78 -17.883 7.220 2.497 655 H SER 79 H SER 79 -14.593 4.107 1.046 656 HA SER 79 HA SER 79 -15.920 4.403 -1.514 657 1HB SER 79 2HB SER 79 -13.566 5.151 -1.131 658 2HB SER 79 1HB SER 79 -13.102 3.461 -0.933 659 HG SER 79 HG SER 79 -14.116 3.210 -3.114 660 H ASN 80 H ASN 80 -15.619 1.951 0.740 661 HA ASN 80 HA ASN 80 -15.989 -0.297 0.759 662 1HB ASN 80 2HB ASN 80 -18.035 0.583 -0.541 663 2HB ASN 80 1HB ASN 80 -17.219 -0.010 -1.982 664 1HD2 ASN 80 1HD2 ASN 80 -18.858 -0.865 0.949 665 2HD2 ASN 80 2HD2 ASN 80 -19.033 -2.555 0.596 666 H LEU 81 H LEU 81 -13.489 0.552 -0.126 667 HA LEU 81 HA LEU 81 -12.835 -1.155 -2.432 668 1HB LEU 81 2HB LEU 81 -12.293 1.317 -2.445 669 2HB LEU 81 1HB LEU 81 -11.145 0.999 -1.160 670 HG LEU 81 HG LEU 81 -9.928 -0.544 -2.710 671 1HD1 LEU 81 1HD1 LEU 81 -10.394 -0.382 -5.102 672 2HD1 LEU 81 2HD1 LEU 81 -11.804 0.620 -4.761 673 3HD1 LEU 81 3HD1 LEU 81 -11.764 -1.059 -4.222 674 1HD2 LEU 81 1HD2 LEU 81 -10.251 2.311 -3.628 675 2HD2 LEU 81 2HD2 LEU 81 -8.897 1.249 -4.019 676 3HD2 LEU 81 3HD2 LEU 81 -9.176 1.745 -2.350 677 H THR 82 H THR 82 -13.145 -1.756 0.588 678 HA THR 82 HA THR 82 -10.699 -2.312 1.779 679 HB THR 82 HB THR 82 -13.189 -3.974 2.167 680 HG1 THR 82 HG1 THR 82 -13.025 -1.908 3.877 681 1HG2 THR 82 1HG2 THR 82 -11.006 -3.093 4.060 682 2HG2 THR 82 2HG2 THR 82 -11.197 -4.711 3.389 683 3HG2 THR 82 3HG2 THR 82 -12.412 -4.063 4.492 684 H GLU 83 H GLU 83 -12.597 -4.255 -0.465 685 HA GLU 83 HA GLU 83 -11.327 -6.716 -0.123 686 1HB GLU 83 2HB GLU 83 -12.645 -5.546 -2.567 687 2HB GLU 83 1HB GLU 83 -12.277 -7.236 -2.322 688 1HG GLU 83 2HG GLU 83 -13.782 -7.277 -0.388 689 2HG GLU 83 1HG GLU 83 -14.176 -5.583 -0.686 690 H TYR 84 H TYR 84 -10.524 -3.946 -2.084 691 HA TYR 84 HA TYR 84 -8.712 -5.143 -3.856 692 1HB TYR 84 2HB TYR 84 -9.723 -2.893 -4.155 693 2HB TYR 84 1HB TYR 84 -8.711 -2.289 -2.847 694 HD1 TYR 84 HD1 TYR 84 -8.492 -3.948 -6.176 695 HD2 TYR 84 HD2 TYR 84 -6.616 -1.400 -3.330 696 HE1 TYR 84 HE1 TYR 84 -6.707 -3.465 -7.793 697 HE2 TYR 84 HE2 TYR 84 -4.830 -0.905 -4.943 698 HH TYR 84 HH TYR 84 -5.041 -1.642 -8.209 699 H MET 85 H MET 85 -8.339 -4.016 -0.575 700 HA MET 85 HA MET 85 -5.494 -3.996 -0.559 701 1HB MET 85 2HB MET 85 -7.642 -3.903 1.523 702 2HB MET 85 1HB MET 85 -5.974 -4.144 1.997 703 1HG MET 85 2HG MET 85 -6.975 -1.819 0.380 704 2HG MET 85 1HG MET 85 -6.709 -1.796 2.122 705 1HE MET 85 1HE MET 85 -5.051 0.236 2.092 706 2HE MET 85 2HE MET 85 -5.424 0.392 0.376 707 3HE MET 85 3HE MET 85 -3.744 0.404 0.919 708 H LYS 86 H LYS 86 -7.965 -6.381 0.187 709 HA LYS 86 HA LYS 86 -6.032 -8.194 1.368 710 1HB LYS 86 2HB LYS 86 -8.465 -7.828 2.162 711 2HB LYS 86 1HB LYS 86 -8.916 -8.834 0.792 712 1HG LYS 86 2HG LYS 86 -7.219 -10.519 1.776 713 2HG LYS 86 1HG LYS 86 -7.385 -9.572 3.252 714 1HD LYS 86 2HD LYS 86 -9.024 -11.134 3.594 715 2HD LYS 86 1HD LYS 86 -9.956 -9.889 2.760 716 1HE LYS 86 2HE LYS 86 -8.738 -12.350 1.500 717 2HE LYS 86 1HE LYS 86 -10.445 -12.107 1.864 718 1HZ LYS 86 1HZ LYS 86 -9.991 -11.698 -0.463 719 2HZ LYS 86 2HZ LYS 86 -8.832 -10.529 -0.068 720 3HZ LYS 86 3HZ LYS 86 -10.469 -10.257 0.296 721 H GLU 87 H GLU 87 -5.618 -7.541 -1.354 722 HA GLU 87 HA GLU 87 -5.892 -10.225 -2.517 723 1HB GLU 87 2HB GLU 87 -7.484 -8.712 -3.638 724 2HB GLU 87 1HB GLU 87 -6.165 -7.616 -4.027 725 1HG GLU 87 2HG GLU 87 -6.777 -8.967 -5.948 726 2HG GLU 87 1HG GLU 87 -5.134 -9.320 -5.416 727 H LYS 88 H LYS 88 -4.088 -11.027 -3.450 728 HA LYS 88 HA LYS 88 -1.716 -9.285 -3.391 729 1HB LYS 88 2HB LYS 88 -0.389 -11.359 -2.979 730 2HB LYS 88 1HB LYS 88 -1.476 -10.931 -1.666 731 1HG LYS 88 2HG LYS 88 -3.043 -12.638 -2.365 732 2HG LYS 88 1HG LYS 88 -2.031 -13.021 -3.760 733 1HD LYS 88 2HD LYS 88 -0.218 -13.696 -2.261 734 2HD LYS 88 1HD LYS 88 -1.226 -13.308 -0.865 735 1HE LYS 88 2HE LYS 88 -1.182 -15.722 -1.364 736 2HE LYS 88 1HE LYS 88 -2.802 -15.036 -1.477 737 1HZ LYS 88 1HZ LYS 88 -1.100 -15.317 -3.878 738 2HZ LYS 88 2HZ LYS 88 -2.787 -15.182 -3.777 739 3HZ LYS 88 3HZ LYS 88 -2.024 -16.619 -3.306 740 H ILE 89 H ILE 89 -0.144 -9.580 -5.010 741 HA ILE 89 HA ILE 89 -1.305 -10.275 -7.559 742 HB ILE 89 HB ILE 89 1.321 -9.051 -6.757 743 1HG1 ILE 89 2HG1 ILE 89 0.496 -7.172 -8.176 744 2HG1 ILE 89 1HG1 ILE 89 -0.998 -8.061 -8.429 745 1HG2 ILE 89 1HG2 ILE 89 1.931 -8.845 -9.118 746 2HG2 ILE 89 2HG2 ILE 89 0.540 -9.834 -9.555 747 3HG2 ILE 89 3HG2 ILE 89 1.850 -10.528 -8.602 748 1HD1 ILE 89 1HD1 ILE 89 0.039 -7.019 -5.805 749 2HD1 ILE 89 2HD1 ILE 89 -1.446 -7.946 -6.018 750 3HD1 ILE 89 3HD1 ILE 89 -1.289 -6.350 -6.752 751 H LYS 90 H LYS 90 -0.524 -11.814 -8.975 752 HA LYS 90 HA LYS 90 0.481 -14.174 -7.600 753 1HB LYS 90 2HB LYS 90 -0.770 -13.814 -10.331 754 2HB LYS 90 1HB LYS 90 -0.159 -15.349 -9.734 755 1HG LYS 90 2HG LYS 90 -2.535 -15.305 -9.447 756 2HG LYS 90 1HG LYS 90 -1.776 -15.213 -7.857 757 1HD LYS 90 2HD LYS 90 -2.139 -12.793 -7.825 758 2HD LYS 90 1HD LYS 90 -2.892 -12.884 -9.417 759 1HE LYS 90 2HE LYS 90 -4.692 -14.220 -8.544 760 2HE LYS 90 1HE LYS 90 -3.901 -14.324 -6.971 761 1HZ LYS 90 1HZ LYS 90 -4.224 -12.015 -6.615 762 2HZ LYS 90 2HZ LYS 90 -5.715 -12.651 -7.107 763 3HZ LYS 90 3HZ LYS 90 -4.762 -11.766 -8.201 764 H ILE 91 H ILE 91 2.654 -13.904 -7.424 765 HA ILE 91 HA ILE 91 4.297 -13.046 -9.594 766 HB ILE 91 HB ILE 91 5.075 -14.482 -7.046 767 1HG1 ILE 91 2HG1 ILE 91 4.012 -12.318 -6.618 768 2HG1 ILE 91 1HG1 ILE 91 5.732 -12.244 -6.247 769 1HG2 ILE 91 1HG2 ILE 91 7.343 -13.649 -7.501 770 2HG2 ILE 91 2HG2 ILE 91 6.787 -13.016 -9.052 771 3HG2 ILE 91 3HG2 ILE 91 6.777 -14.754 -8.756 772 1HD1 ILE 91 1HD1 ILE 91 6.113 -11.146 -8.420 773 2HD1 ILE 91 2HD1 ILE 91 5.042 -10.229 -7.362 774 3HD1 ILE 91 3HD1 ILE 91 4.374 -11.158 -8.704 775 H ARG 92 H ARG 92 4.150 -14.287 -11.372 776 HA ARG 92 HA ARG 92 4.070 -17.154 -11.233 777 1HB ARG 92 2HB ARG 92 4.089 -17.036 -13.703 778 2HB ARG 92 1HB ARG 92 2.835 -16.034 -12.987 779 1HG ARG 92 2HG ARG 92 4.294 -14.058 -13.298 780 2HG ARG 92 1HG ARG 92 5.465 -15.095 -14.118 781 1HD ARG 92 2HD ARG 92 3.733 -15.686 -15.768 782 2HD ARG 92 1HD ARG 92 2.623 -14.571 -14.973 783 HE ARG 92 HE ARG 92 5.110 -13.373 -15.802 784 1HH1 ARG 92 1HH1 ARG 92 1.793 -14.088 -16.679 785 2HH1 ARG 92 2HH1 ARG 92 1.763 -12.935 -17.981 786 1HH2 ARG 92 1HH2 ARG 92 5.061 -11.849 -17.504 787 2HH2 ARG 92 2HH2 ARG 92 3.610 -11.667 -18.452 788 H MET 93 H MET 93 5.708 -18.564 -11.516 789 HA MET 93 HA MET 93 8.386 -17.399 -11.436 790 1HB MET 93 2HB MET 93 7.626 -19.008 -9.678 791 2HB MET 93 1HB MET 93 7.545 -20.251 -10.920 792 1HG MET 93 2HG MET 93 9.918 -20.074 -11.310 793 2HG MET 93 1HG MET 93 10.035 -18.744 -10.157 794 1HE MET 93 1HE MET 93 11.882 -19.789 -8.709 795 2HE MET 93 2HE MET 93 12.007 -21.124 -9.856 796 3HE MET 93 3HE MET 93 11.881 -21.456 -8.126 797 HA PRO 94 HA PRO 94 8.773 -18.914 -15.655 798 1HB PRO 94 2HB PRO 94 10.586 -17.129 -16.462 799 2HB PRO 94 1HB PRO 94 8.905 -16.658 -16.184 800 1HG PRO 94 2HG PRO 94 11.309 -16.175 -14.497 801 2HG PRO 94 1HG PRO 94 9.886 -15.152 -14.744 802 1HD PRO 94 2HD PRO 94 10.359 -16.878 -12.564 803 2HD PRO 94 1HD PRO 94 8.824 -16.082 -12.965 804 H THR 95 H THR 95 10.868 -19.308 -17.022 805 HA THR 95 HA THR 95 12.588 -21.018 -15.457 806 HB THR 95 HB THR 95 13.615 -21.438 -17.784 807 HG1 THR 95 HG1 THR 95 12.621 -20.540 -19.476 808 1HG2 THR 95 1HG2 THR 95 10.707 -22.089 -17.287 809 2HG2 THR 95 2HG2 THR 95 12.091 -23.006 -16.689 810 3HG2 THR 95 3HG2 THR 95 11.769 -22.922 -18.423 811 H LEU 96 H LEU 96 12.659 -17.926 -16.912 812 HA LEU 96 HA LEU 96 15.033 -17.127 -15.606 813 1HB LEU 96 2HB LEU 96 16.004 -18.479 -17.471 814 2HB LEU 96 1HB LEU 96 15.222 -17.402 -18.612 815 HG LEU 96 HG LEU 96 16.574 -15.529 -17.784 816 1HD1 LEU 96 1HD1 LEU 96 18.419 -15.927 -16.239 817 2HD1 LEU 96 2HD1 LEU 96 17.898 -17.601 -16.038 818 3HD1 LEU 96 3HD1 LEU 96 16.868 -16.283 -15.478 819 1HD2 LEU 96 1HD2 LEU 96 17.386 -16.872 -19.655 820 2HD2 LEU 96 2HD2 LEU 96 18.207 -17.949 -18.528 821 3HD2 LEU 96 3HD2 LEU 96 18.719 -16.268 -18.672 Start of MODEL 13 1 1H MET 1 1H MET 1 -1.363 14.957 -13.214 2 2H MET 1 2H MET 1 -2.999 14.908 -12.775 3 3H MET 1 3H MET 1 -2.525 14.410 -14.324 4 HA MET 1 HA MET 1 -3.022 12.516 -12.926 5 1HB MET 1 2HB MET 1 -0.961 11.281 -13.303 6 2HB MET 1 1HB MET 1 -1.265 12.345 -14.671 7 1HG MET 1 2HG MET 1 0.391 13.909 -13.885 8 2HG MET 1 1HG MET 1 0.628 12.969 -12.412 9 1HE MET 1 1HE MET 1 0.570 10.001 -13.491 10 2HE MET 1 2HE MET 1 1.786 10.579 -12.350 11 3HE MET 1 3HE MET 1 2.283 9.703 -13.796 12 HA PRO 2 HA PRO 2 -1.823 12.651 -8.611 13 1HB PRO 2 2HB PRO 2 -1.409 9.735 -8.706 14 2HB PRO 2 1HB PRO 2 -2.568 10.670 -7.759 15 1HG PRO 2 2HG PRO 2 -3.328 9.145 -9.838 16 2HG PRO 2 1HG PRO 2 -4.144 10.667 -9.435 17 1HD PRO 2 2HD PRO 2 -2.139 10.103 -11.588 18 2HD PRO 2 1HD PRO 2 -3.595 11.120 -11.639 19 H ALA 3 H ALA 3 0.148 13.558 -8.412 20 HA ALA 3 HA ALA 3 2.478 12.299 -9.618 21 1HB ALA 3 1HB ALA 3 2.109 14.709 -9.892 22 2HB ALA 3 2HB ALA 3 3.635 14.362 -9.080 23 3HB ALA 3 3HB ALA 3 2.248 14.919 -8.145 24 H ILE 4 H ILE 4 2.071 10.492 -7.989 25 HA ILE 4 HA ILE 4 2.489 9.349 -6.072 26 HB ILE 4 HB ILE 4 4.928 11.143 -6.022 27 1HG1 ILE 4 2HG1 ILE 4 6.032 8.959 -6.809 28 2HG1 ILE 4 1HG1 ILE 4 4.405 8.394 -7.162 29 1HG2 ILE 4 1HG2 ILE 4 4.370 8.620 -4.463 30 2HG2 ILE 4 2HG2 ILE 4 4.552 10.246 -3.807 31 3HG2 ILE 4 3HG2 ILE 4 5.930 9.435 -4.549 32 1HD1 ILE 4 1HD1 ILE 4 4.113 10.232 -8.743 33 2HD1 ILE 4 2HD1 ILE 4 5.507 9.232 -9.153 34 3HD1 ILE 4 3HD1 ILE 4 5.740 10.800 -8.381 35 H GLU 5 H GLU 5 0.671 10.074 -4.985 36 HA GLU 5 HA GLU 5 1.111 12.280 -3.093 37 1HB GLU 5 2HB GLU 5 -1.399 11.568 -4.627 38 2HB GLU 5 1HB GLU 5 -1.335 12.753 -3.330 39 1HG GLU 5 2HG GLU 5 0.104 14.171 -4.593 40 2HG GLU 5 1HG GLU 5 0.312 12.943 -5.839 41 H VAL 6 H VAL 6 0.339 12.016 -1.042 42 HA VAL 6 HA VAL 6 0.091 9.441 0.003 43 HB VAL 6 HB VAL 6 -0.864 10.594 2.047 44 1HG1 VAL 6 1HG1 VAL 6 1.697 11.700 0.894 45 2HG1 VAL 6 2HG1 VAL 6 1.528 10.196 1.799 46 3HG1 VAL 6 3HG1 VAL 6 1.234 11.742 2.595 47 1HG2 VAL 6 1HG2 VAL 6 -0.373 13.071 0.394 48 2HG2 VAL 6 2HG2 VAL 6 -0.804 13.036 2.104 49 3HG2 VAL 6 3HG2 VAL 6 -1.950 12.462 0.891 50 HN2 GLY 7 H GLY 7 -1.538 8.054 0.076 51 1HA GLY 7 2HA GLY 7 -3.941 7.739 0.522 52 2HA GLY 7 1HA GLY 7 -4.223 9.085 -0.573 53 H ARG 8 H ARG 8 -1.977 7.908 -2.340 54 HA ARG 8 HA ARG 8 -3.795 6.099 -3.720 55 1HB ARG 8 2HB ARG 8 -2.597 7.927 -4.972 56 2HB ARG 8 1HB ARG 8 -1.096 7.043 -4.702 57 1HG ARG 8 2HG ARG 8 -1.903 5.165 -5.944 58 2HG ARG 8 1HG ARG 8 -3.509 5.877 -6.071 59 1HD ARG 8 2HD ARG 8 -2.441 7.770 -7.344 60 2HD ARG 8 1HD ARG 8 -0.965 6.802 -7.386 61 HE ARG 8 HE ARG 8 -3.263 5.363 -8.315 62 1HH1 ARG 8 1HH1 ARG 8 -0.782 7.639 -9.321 63 2HH1 ARG 8 2HH1 ARG 8 -0.920 7.226 -11.005 64 1HH2 ARG 8 1HH2 ARG 8 -3.446 4.842 -10.505 65 2HH2 ARG 8 2HH2 ARG 8 -2.428 5.624 -11.676 66 H ILE 9 H ILE 9 -3.448 3.998 -4.086 67 HA ILE 9 HA ILE 9 -1.682 2.609 -2.301 68 HB ILE 9 HB ILE 9 -3.399 1.456 -4.513 69 1HG1 ILE 9 2HG1 ILE 9 -4.105 1.909 -1.600 70 2HG1 ILE 9 1HG1 ILE 9 -4.730 2.849 -2.951 71 1HG2 ILE 9 1HG2 ILE 9 -2.253 0.220 -2.011 72 2HG2 ILE 9 2HG2 ILE 9 -1.728 -0.091 -3.666 73 3HG2 ILE 9 3HG2 ILE 9 -3.339 -0.586 -3.142 74 1HD1 ILE 9 1HD1 ILE 9 -5.173 -0.095 -2.516 75 2HD1 ILE 9 2HD1 ILE 9 -5.826 0.874 -3.837 76 3HD1 ILE 9 3HD1 ILE 9 -6.334 1.188 -2.178 77 H CYS 10 H CYS 10 0.097 1.379 -2.846 78 HA CYS 10 HA CYS 10 0.934 1.325 -5.651 79 1HB CYS 10 2HB CYS 10 3.321 1.599 -4.809 80 2HB CYS 10 1HB CYS 10 2.315 3.040 -4.735 81 HG CYS 10 HG CYS 10 1.812 1.756 -1.885 82 H VAL 11 H VAL 11 2.140 -0.534 -6.229 83 HA VAL 11 HA VAL 11 1.773 -2.728 -4.307 84 HB VAL 11 HB VAL 11 0.482 -2.963 -6.387 85 1HG1 VAL 11 1HG1 VAL 11 1.640 -3.430 -8.504 86 2HG1 VAL 11 2HG1 VAL 11 3.176 -3.044 -7.729 87 3HG1 VAL 11 3HG1 VAL 11 1.947 -1.795 -7.916 88 1HG2 VAL 11 1HG2 VAL 11 1.183 -4.962 -5.192 89 2HG2 VAL 11 2HG2 VAL 11 2.692 -4.991 -6.106 90 3HG2 VAL 11 3HG2 VAL 11 1.155 -5.251 -6.932 91 H LYS 12 H LYS 12 3.378 -4.193 -3.907 92 HA LYS 12 HA LYS 12 6.073 -3.216 -4.365 93 1HB LYS 12 2HB LYS 12 4.969 -4.302 -2.194 94 2HB LYS 12 1HB LYS 12 5.510 -5.791 -2.958 95 1HG LYS 12 2HG LYS 12 7.431 -3.533 -2.599 96 2HG LYS 12 1HG LYS 12 7.025 -4.569 -1.233 97 1HD LYS 12 2HD LYS 12 7.720 -6.536 -2.549 98 2HD LYS 12 1HD LYS 12 8.176 -5.464 -3.876 99 1HE LYS 12 2HE LYS 12 9.881 -4.436 -2.559 100 2HE LYS 12 1HE LYS 12 9.321 -5.246 -1.098 101 1HZ LYS 12 1HZ LYS 12 9.983 -7.363 -2.056 102 2HZ LYS 12 2HZ LYS 12 11.300 -6.297 -1.996 103 3HZ LYS 12 3HZ LYS 12 10.516 -6.586 -3.467 104 H VAL 13 H VAL 13 6.135 -3.551 -6.623 105 HA VAL 13 HA VAL 13 5.505 -5.978 -7.889 106 HB VAL 13 HB VAL 13 6.836 -5.047 -9.827 107 1HG1 VAL 13 1HG1 VAL 13 4.440 -4.681 -9.600 108 2HG1 VAL 13 2HG1 VAL 13 5.226 -3.254 -10.275 109 3HG1 VAL 13 3HG1 VAL 13 4.737 -3.276 -8.580 110 1HG2 VAL 13 1HG2 VAL 13 7.150 -2.709 -7.943 111 2HG2 VAL 13 2HG2 VAL 13 7.522 -2.691 -9.667 112 3HG2 VAL 13 3HG2 VAL 13 8.448 -3.724 -8.577 113 H LYS 14 H LYS 14 8.582 -4.720 -6.691 114 HA LYS 14 HA LYS 14 10.057 -6.935 -7.805 115 1HB LYS 14 2HB LYS 14 10.679 -4.357 -6.627 116 2HB LYS 14 1HB LYS 14 11.720 -5.624 -5.992 117 1HG LYS 14 2HG LYS 14 12.765 -4.604 -7.900 118 2HG LYS 14 1HG LYS 14 12.310 -6.260 -8.297 119 1HD LYS 14 2HD LYS 14 10.232 -5.338 -9.355 120 2HD LYS 14 1HD LYS 14 10.904 -3.723 -9.117 121 1HE LYS 14 2HE LYS 14 12.881 -4.392 -10.443 122 2HE LYS 14 1HE LYS 14 12.127 -5.957 -10.733 123 1HZ LYS 14 1HZ LYS 14 11.698 -4.637 -12.616 124 2HZ LYS 14 2HZ LYS 14 11.228 -3.300 -11.690 125 3HZ LYS 14 3HZ LYS 14 10.235 -4.674 -11.757 126 HN2 GLY 15 H GLY 15 8.060 -7.841 -6.111 127 1HA GLY 15 2HA GLY 15 9.515 -8.739 -3.710 128 2HA GLY 15 1HA GLY 15 7.772 -8.814 -3.935 129 H ARG 16 H ARG 16 7.165 -10.128 -5.966 130 HA ARG 16 HA ARG 16 8.774 -12.158 -6.977 131 1HB ARG 16 2HB ARG 16 8.767 -13.143 -4.749 132 2HB ARG 16 1HB ARG 16 7.012 -13.052 -4.678 133 1HG ARG 16 2HG ARG 16 6.867 -14.638 -6.544 134 2HG ARG 16 1HG ARG 16 8.628 -14.748 -6.572 135 1HD ARG 16 2HD ARG 16 8.692 -15.762 -4.436 136 2HD ARG 16 1HD ARG 16 7.002 -15.369 -4.120 137 HE ARG 16 HE ARG 16 7.100 -16.990 -6.396 138 1HH1 ARG 16 1HH1 ARG 16 7.887 -17.263 -2.993 139 2HH1 ARG 16 2HH1 ARG 16 7.388 -18.927 -2.888 140 1HH2 ARG 16 1HH2 ARG 16 6.468 -19.165 -6.271 141 2HH2 ARG 16 2HH2 ARG 16 6.608 -20.015 -4.759 142 H GLU 17 H GLU 17 5.450 -12.130 -5.714 143 HA GLU 17 HA GLU 17 4.497 -12.708 -8.431 144 1HB GLU 17 2HB GLU 17 3.082 -13.059 -5.782 145 2HB GLU 17 1HB GLU 17 2.478 -13.566 -7.354 146 1HG GLU 17 2HG GLU 17 4.294 -15.156 -7.569 147 2HG GLU 17 1HG GLU 17 4.969 -14.621 -6.032 148 H ALA 18 H ALA 18 4.645 -10.276 -6.092 149 HA ALA 18 HA ALA 18 3.976 -8.119 -6.047 150 1HB ALA 18 1HB ALA 18 3.322 -7.027 -8.103 151 2HB ALA 18 2HB ALA 18 3.017 -8.586 -8.870 152 3HB ALA 18 3HB ALA 18 4.660 -8.133 -8.411 153 HN2 GLY 19 H GLY 19 2.321 -9.680 -4.684 154 1HA GLY 19 2HA GLY 19 -0.371 -8.734 -5.451 155 2HA GLY 19 1HA GLY 19 -0.073 -10.136 -4.436 156 H SER 20 H SER 20 2.151 -8.376 -3.216 157 HA SER 20 HA SER 20 0.558 -7.429 -1.018 158 1HB SER 20 2HB SER 20 3.532 -7.072 -1.445 159 2HB SER 20 1HB SER 20 2.654 -7.052 0.086 160 HG SER 20 HG SER 20 2.560 -9.183 0.092 161 H LYS 21 H LYS 21 -0.188 -5.423 -0.757 162 HA LYS 21 HA LYS 21 0.906 -3.301 -2.488 163 1HB LYS 21 2HB LYS 21 -1.906 -3.387 -1.401 164 2HB LYS 21 1HB LYS 21 -1.268 -2.341 -2.661 165 1HG LYS 21 2HG LYS 21 -1.051 -4.237 -4.158 166 2HG LYS 21 1HG LYS 21 -1.623 -5.322 -2.890 167 1HD LYS 21 2HD LYS 21 -3.656 -3.618 -2.868 168 2HD LYS 21 1HD LYS 21 -3.124 -3.348 -4.529 169 1HE LYS 21 2HE LYS 21 -4.808 -5.064 -4.522 170 2HE LYS 21 1HE LYS 21 -3.251 -5.792 -4.915 171 1HZ LYS 21 1HZ LYS 21 -4.403 -5.784 -2.180 172 2HZ LYS 21 2HZ LYS 21 -3.069 -6.667 -2.731 173 3HZ LYS 21 3HZ LYS 21 -4.626 -7.051 -3.275 174 H CYS 22 H CYS 22 0.938 -1.173 -1.607 175 HA CYS 22 HA CYS 22 0.431 -0.924 1.266 176 1HB CYS 22 2HB CYS 22 3.011 -0.080 -0.064 177 2HB CYS 22 1HB CYS 22 2.574 0.233 1.608 178 HG CYS 22 HG CYS 22 2.252 -2.947 1.281 179 H VAL 23 H VAL 23 0.095 1.256 1.939 180 HA VAL 23 HA VAL 23 -0.671 3.022 -0.288 181 HB VAL 23 HB VAL 23 -1.629 3.087 2.585 182 1HG1 VAL 23 1HG1 VAL 23 -2.596 4.612 0.170 183 2HG1 VAL 23 2HG1 VAL 23 -1.678 5.279 1.522 184 3HG1 VAL 23 3HG1 VAL 23 -3.310 4.661 1.784 185 1HG2 VAL 23 1HG2 VAL 23 -3.761 2.247 1.684 186 2HG2 VAL 23 2HG2 VAL 23 -2.441 1.098 1.459 187 3HG2 VAL 23 3HG2 VAL 23 -3.003 2.069 0.099 188 H ILE 24 H ILE 24 0.249 5.000 -0.482 189 HA ILE 24 HA ILE 24 2.533 5.687 1.081 190 HB ILE 24 HB ILE 24 0.968 7.475 -0.790 191 1HG1 ILE 24 2HG1 ILE 24 3.332 5.683 -1.402 192 2HG1 ILE 24 1HG1 ILE 24 1.669 5.353 -1.874 193 1HG2 ILE 24 1HG2 ILE 24 2.516 8.677 0.647 194 2HG2 ILE 24 2HG2 ILE 24 3.099 8.676 -1.019 195 3HG2 ILE 24 3HG2 ILE 24 3.825 7.592 0.169 196 1HD1 ILE 24 1HD1 ILE 24 1.670 7.366 -3.261 197 2HD1 ILE 24 2HD1 ILE 24 2.949 6.245 -3.730 198 3HD1 ILE 24 3HD1 ILE 24 3.340 7.684 -2.787 199 H VAL 25 H VAL 25 2.340 6.332 3.138 200 HA VAL 25 HA VAL 25 -0.056 7.860 3.886 201 HB VAL 25 HB VAL 25 0.448 7.201 6.226 202 1HG1 VAL 25 1HG1 VAL 25 0.153 4.917 4.281 203 2HG1 VAL 25 2HG1 VAL 25 -1.148 5.939 4.894 204 3HG1 VAL 25 3HG1 VAL 25 -0.270 4.873 5.992 205 1HG2 VAL 25 1HG2 VAL 25 2.566 5.473 4.948 206 2HG2 VAL 25 2HG2 VAL 25 2.048 5.381 6.632 207 3HG2 VAL 25 3HG2 VAL 25 2.844 6.835 6.033 208 H ASP 26 H ASP 26 3.415 8.023 3.731 209 HA ASP 26 HA ASP 26 3.309 10.828 4.374 210 1HB ASP 26 2HB ASP 26 3.456 9.702 6.626 211 2HB ASP 26 1HB ASP 26 5.021 9.059 6.139 212 H ILE 27 H ILE 27 5.231 11.935 3.812 213 HA ILE 27 HA ILE 27 7.057 10.368 2.123 214 HB ILE 27 HB ILE 27 6.445 13.328 1.967 215 1HG1 ILE 27 2HG1 ILE 27 5.592 11.095 0.109 216 2HG1 ILE 27 1HG1 ILE 27 4.541 11.869 1.285 217 1HG2 ILE 27 1HG2 ILE 27 7.686 13.239 -0.146 218 2HG2 ILE 27 2HG2 ILE 27 8.067 11.542 0.158 219 3HG2 ILE 27 3HG2 ILE 27 8.698 12.795 1.230 220 1HD1 ILE 27 1HD1 ILE 27 4.788 13.993 0.116 221 2HD1 ILE 27 2HD1 ILE 27 4.171 12.737 -0.956 222 3HD1 ILE 27 3HD1 ILE 27 5.863 13.225 -1.052 223 H ILE 28 H ILE 28 8.990 10.055 3.008 224 HA ILE 28 HA ILE 28 9.772 11.601 5.332 225 HB ILE 28 HB ILE 28 11.160 9.253 4.029 226 1HG1 ILE 28 2HG1 ILE 28 8.921 8.664 4.858 227 2HG1 ILE 28 1HG1 ILE 28 10.179 7.904 5.827 228 1HG2 ILE 28 1HG2 ILE 28 12.340 9.054 6.187 229 2HG2 ILE 28 2HG2 ILE 28 11.584 10.555 6.718 230 3HG2 ILE 28 3HG2 ILE 28 12.701 10.566 5.352 231 1HD1 ILE 28 1HD1 ILE 28 8.584 10.347 6.568 232 2HD1 ILE 28 2HD1 ILE 28 9.875 9.637 7.538 233 3HD1 ILE 28 3HD1 ILE 28 8.398 8.724 7.234 234 H ASP 29 H ASP 29 11.112 10.814 2.138 235 HA ASP 29 HA ASP 29 12.833 13.187 2.323 236 1HB ASP 29 2HB ASP 29 14.049 11.039 2.975 237 2HB ASP 29 1HB ASP 29 13.824 10.506 1.319 238 H ASP 30 H ASP 30 14.151 12.744 -0.112 239 HA ASP 30 HA ASP 30 12.057 13.407 -2.008 240 1HB ASP 30 2HB ASP 30 14.196 14.645 -2.014 241 2HB ASP 30 1HB ASP 30 15.064 13.152 -2.352 242 H ASN 31 H ASN 31 14.483 10.921 -1.506 243 HA ASN 31 HA ASN 31 13.436 9.318 -3.707 244 1HB ASN 31 2HB ASN 31 15.841 9.569 -3.576 245 2HB ASN 31 1HB ASN 31 15.851 9.013 -1.911 246 1HD2 ASN 31 1HD2 ASN 31 17.316 7.415 -2.365 247 2HD2 ASN 31 2HD2 ASN 31 16.889 5.979 -3.233 248 H PHE 32 H PHE 32 13.558 9.398 -0.223 249 HA PHE 32 HA PHE 32 12.432 6.699 -0.048 250 1HB PHE 32 2HB PHE 32 13.859 8.464 1.917 251 2HB PHE 32 1HB PHE 32 12.852 7.139 2.486 252 HD1 PHE 32 HD2 PHE 32 15.630 7.816 0.098 253 HD2 PHE 32 HD1 PHE 32 13.786 5.072 2.773 254 HE1 PHE 32 HE2 PHE 32 17.497 6.247 -0.232 255 HE2 PHE 32 HE1 PHE 32 15.644 3.495 2.446 256 HZ PHE 32 HZ PHE 32 17.504 4.081 0.941 257 H VAL 33 H VAL 33 10.449 6.284 0.716 258 HA VAL 33 HA VAL 33 8.870 8.510 1.814 259 HB VAL 33 HB VAL 33 6.871 7.675 0.573 260 1HG1 VAL 33 1HG1 VAL 33 8.081 9.634 -0.234 261 2HG1 VAL 33 2HG1 VAL 33 7.458 8.688 -1.585 262 3HG1 VAL 33 3HG1 VAL 33 9.166 8.597 -1.157 263 1HG2 VAL 33 1HG2 VAL 33 7.218 6.261 -1.410 264 2HG2 VAL 33 2HG2 VAL 33 7.612 5.416 0.088 265 3HG2 VAL 33 3HG2 VAL 33 8.903 6.039 -0.939 266 H LEU 34 H LEU 34 6.789 7.633 2.854 267 HA LEU 34 HA LEU 34 7.441 5.080 4.169 268 1HB LEU 34 2HB LEU 34 7.435 7.068 5.647 269 2HB LEU 34 1HB LEU 34 5.763 7.364 5.215 270 HG LEU 34 HG LEU 34 5.133 5.204 6.234 271 1HD1 LEU 34 1HD1 LEU 34 8.027 5.104 7.071 272 2HD1 LEU 34 2HD1 LEU 34 7.230 4.008 5.944 273 3HD1 LEU 34 3HD1 LEU 34 6.755 4.023 7.643 274 1HD2 LEU 34 1HD2 LEU 34 6.658 7.081 8.030 275 2HD2 LEU 34 2HD2 LEU 34 5.480 5.887 8.568 276 3HD2 LEU 34 3HD2 LEU 34 4.969 7.231 7.548 277 H VAL 35 H VAL 35 6.258 3.477 3.476 278 HA VAL 35 HA VAL 35 3.431 3.966 2.829 279 HB VAL 35 HB VAL 35 3.567 2.161 1.133 280 1HG1 VAL 35 1HG1 VAL 35 3.734 4.455 0.382 281 2HG1 VAL 35 2HG1 VAL 35 4.814 3.442 -0.575 282 3HG1 VAL 35 3HG1 VAL 35 5.468 4.465 0.703 283 1HG2 VAL 35 1HG2 VAL 35 5.750 1.385 0.345 284 2HG2 VAL 35 2HG2 VAL 35 5.489 0.951 2.035 285 3HG2 VAL 35 3HG2 VAL 35 6.542 2.305 1.626 286 H THR 36 H THR 36 1.985 2.303 3.376 287 HA THR 36 HA THR 36 3.007 -0.037 4.743 288 HB THR 36 HB THR 36 2.935 1.653 6.541 289 HG1 THR 36 HG1 THR 36 0.767 0.085 7.254 290 1HG2 THR 36 1HG2 THR 36 0.788 2.541 7.320 291 2HG2 THR 36 2HG2 THR 36 -0.022 1.790 5.947 292 3HG2 THR 36 3HG2 THR 36 1.148 3.080 5.680 293 HN2 GLY 37 H GLY 37 1.541 -1.714 4.815 294 1HA GLY 37 2HA GLY 37 -0.991 -1.261 3.385 295 2HA GLY 37 1HA GLY 37 -0.193 -2.820 3.583 296 HA PRO 38 HA PRO 38 -3.040 -0.713 7.314 297 1HB PRO 38 2HB PRO 38 -5.050 -2.289 5.734 298 2HB PRO 38 1HB PRO 38 -5.304 -0.888 6.785 299 1HG PRO 38 2HG PRO 38 -5.134 -0.677 4.090 300 2HG PRO 38 1HG PRO 38 -4.600 0.604 5.189 301 1HD PRO 38 2HD PRO 38 -3.005 -1.102 3.449 302 2HD PRO 38 1HD PRO 38 -2.508 0.337 4.361 303 H LYS 39 H LYS 39 -2.491 -1.897 9.009 304 HA LYS 39 HA LYS 39 -1.724 -4.619 8.763 305 1HB LYS 39 2HB LYS 39 -0.716 -2.961 10.345 306 2HB LYS 39 1HB LYS 39 -2.195 -3.029 11.293 307 1HG LYS 39 2HG LYS 39 -1.814 -5.439 11.653 308 2HG LYS 39 1HG LYS 39 -0.284 -5.294 10.783 309 1HD LYS 39 2HD LYS 39 0.486 -3.651 12.437 310 2HD LYS 39 1HD LYS 39 -1.037 -3.832 13.311 311 1HE LYS 39 2HE LYS 39 -0.525 -6.235 13.617 312 2HE LYS 39 1HE LYS 39 1.040 -5.970 12.847 313 1HZ LYS 39 1HZ LYS 39 1.282 -5.925 15.226 314 2HZ LYS 39 2HZ LYS 39 0.079 -4.739 15.373 315 3HZ LYS 39 3HZ LYS 39 1.549 -4.360 14.618 316 H ASP 40 H ASP 40 -4.579 -2.976 9.902 317 HA ASP 40 HA ASP 40 -5.758 -5.257 11.161 318 1HB ASP 40 2HB ASP 40 -6.314 -2.923 11.755 319 2HB ASP 40 1HB ASP 40 -7.046 -2.710 10.170 320 H ILE 41 H ILE 41 -5.501 -4.175 7.921 321 HA ILE 41 HA ILE 41 -7.736 -5.895 7.082 322 HB ILE 41 HB ILE 41 -6.307 -3.764 5.477 323 1HG1 ILE 41 2HG1 ILE 41 -9.039 -3.702 6.790 324 2HG1 ILE 41 1HG1 ILE 41 -7.619 -2.828 7.353 325 1HG2 ILE 41 1HG2 ILE 41 -8.154 -4.053 3.886 326 2HG2 ILE 41 2HG2 ILE 41 -8.795 -5.367 4.874 327 3HG2 ILE 41 3HG2 ILE 41 -7.226 -5.538 4.087 328 1HD1 ILE 41 1HD1 ILE 41 -8.998 -2.411 4.711 329 2HD1 ILE 41 2HD1 ILE 41 -7.595 -1.522 5.303 330 3HD1 ILE 41 3HD1 ILE 41 -9.145 -1.380 6.133 331 H THR 42 H THR 42 -4.644 -4.884 5.630 332 HA THR 42 HA THR 42 -4.410 -7.448 4.299 333 HB THR 42 HB THR 42 -2.318 -5.310 4.144 334 HG1 THR 42 HG1 THR 42 -4.160 -4.841 2.277 335 1HG2 THR 42 1HG2 THR 42 -2.017 -7.392 2.899 336 2HG2 THR 42 2HG2 THR 42 -2.259 -6.039 1.796 337 3HG2 THR 42 3HG2 THR 42 -3.581 -7.163 2.118 338 HN2 GLY 43 H GLY 43 -2.664 -5.529 6.722 339 1HA GLY 43 2HA GLY 43 -1.468 -6.362 8.544 340 2HA GLY 43 1HA GLY 43 -1.610 -7.976 7.867 341 H VAL 44 H VAL 44 -0.321 -5.142 6.202 342 HA VAL 44 HA VAL 44 2.104 -6.660 5.658 343 HB VAL 44 HB VAL 44 1.220 -3.979 4.569 344 1HG1 VAL 44 1HG1 VAL 44 3.459 -5.798 3.690 345 2HG1 VAL 44 2HG1 VAL 44 3.637 -4.241 4.500 346 3HG1 VAL 44 3HG1 VAL 44 2.951 -4.318 2.877 347 1HG2 VAL 44 1HG2 VAL 44 1.071 -6.734 3.352 348 2HG2 VAL 44 2HG2 VAL 44 0.703 -5.227 2.512 349 3HG2 VAL 44 3HG2 VAL 44 -0.289 -5.741 3.876 350 H LYS 45 H LYS 45 3.895 -6.394 6.800 351 HA LYS 45 HA LYS 45 4.151 -4.333 8.769 352 1HB LYS 45 2HB LYS 45 5.105 -6.626 9.033 353 2HB LYS 45 1HB LYS 45 6.265 -6.254 7.764 354 1HG LYS 45 2HG LYS 45 7.246 -4.509 9.119 355 2HG LYS 45 1HG LYS 45 6.026 -4.759 10.369 356 1HD LYS 45 2HD LYS 45 8.090 -6.769 9.471 357 2HD LYS 45 1HD LYS 45 8.125 -5.842 10.972 358 1HE LYS 45 2HE LYS 45 6.020 -6.909 11.660 359 2HE LYS 45 1HE LYS 45 6.026 -7.854 10.172 360 1HZ LYS 45 1HZ LYS 45 6.899 -9.226 11.849 361 2HZ LYS 45 2HZ LYS 45 7.931 -8.017 12.433 362 3HZ LYS 45 3HZ LYS 45 8.238 -8.734 10.930 363 H ARG 46 H ARG 46 4.621 -2.327 8.277 364 HA ARG 46 HA ARG 46 5.595 -1.557 5.723 365 1HB ARG 46 2HB ARG 46 5.424 0.717 6.556 366 2HB ARG 46 1HB ARG 46 3.991 -0.205 6.986 367 1HG ARG 46 2HG ARG 46 4.846 -0.494 9.252 368 2HG ARG 46 1HG ARG 46 6.293 0.420 8.824 369 1HD ARG 46 2HD ARG 46 4.809 2.339 8.242 370 2HD ARG 46 1HD ARG 46 3.451 1.416 8.883 371 HE ARG 46 HE ARG 46 5.283 1.436 10.914 372 1HH1 ARG 46 1HH1 ARG 46 3.649 3.880 9.022 373 2HH1 ARG 46 2HH1 ARG 46 3.720 5.087 10.266 374 1HH2 ARG 46 1HH2 ARG 46 5.363 2.991 12.564 375 2HH2 ARG 46 2HH2 ARG 46 4.700 4.575 12.297 376 H ARG 47 H ARG 47 7.480 -0.498 5.177 377 HA ARG 47 HA ARG 47 9.622 -0.354 7.158 378 1HB ARG 47 2HB ARG 47 9.775 -1.796 4.511 379 2HB ARG 47 1HB ARG 47 11.208 -1.200 5.337 380 1HG ARG 47 2HG ARG 47 10.762 -2.613 7.228 381 2HG ARG 47 1HG ARG 47 9.236 -3.142 6.518 382 1HD ARG 47 2HD ARG 47 11.044 -4.790 6.234 383 2HD ARG 47 1HD ARG 47 10.399 -4.209 4.700 384 HE ARG 47 HE ARG 47 12.431 -2.670 4.720 385 1HH1 ARG 47 1HH1 ARG 47 12.430 -5.781 6.338 386 2HH1 ARG 47 2HH1 ARG 47 14.121 -6.079 6.034 387 1HH2 ARG 47 1HH2 ARG 47 14.651 -3.044 4.358 388 2HH2 ARG 47 2HH2 ARG 47 15.379 -4.514 4.927 389 H ARG 48 H ARG 48 11.389 1.054 6.430 390 HA ARG 48 HA ARG 48 10.373 3.316 4.933 391 1HB ARG 48 2HB ARG 48 13.092 2.925 6.214 392 2HB ARG 48 1HB ARG 48 12.409 4.446 5.654 393 1HG ARG 48 2HG ARG 48 10.690 4.341 7.350 394 2HG ARG 48 1HG ARG 48 11.274 2.764 7.880 395 1HD ARG 48 2HD ARG 48 13.463 3.856 8.421 396 2HD ARG 48 1HD ARG 48 12.704 5.410 8.071 397 HE ARG 48 HE ARG 48 11.084 4.111 9.916 398 1HH1 ARG 48 1HH1 ARG 48 14.331 5.403 9.798 399 2HH1 ARG 48 2HH1 ARG 48 14.407 5.718 11.507 400 1HH2 ARG 48 1HH2 ARG 48 11.175 4.510 12.162 401 2HH2 ARG 48 2HH2 ARG 48 12.602 5.228 12.845 402 H VAL 49 H VAL 49 10.445 3.216 2.786 403 HA VAL 49 HA VAL 49 12.767 1.917 1.521 404 HB VAL 49 HB VAL 49 11.259 1.083 -0.261 405 1HG1 VAL 49 1HG1 VAL 49 10.598 0.138 2.523 406 2HG1 VAL 49 2HG1 VAL 49 11.932 -0.420 1.510 407 3HG1 VAL 49 3HG1 VAL 49 10.266 -0.752 1.035 408 1HG2 VAL 49 1HG2 VAL 49 9.431 2.659 -0.014 409 2HG2 VAL 49 2HG2 VAL 49 9.063 2.016 1.586 410 3HG2 VAL 49 3HG2 VAL 49 8.836 1.007 0.156 411 H ASN 50 H ASN 50 12.592 2.381 -0.985 412 HA ASN 50 HA ASN 50 12.216 5.281 -1.274 413 1HB ASN 50 2HB ASN 50 14.074 5.322 -2.819 414 2HB ASN 50 1HB ASN 50 14.594 4.546 -1.330 415 1HD2 ASN 50 1HD2 ASN 50 15.647 4.378 -4.066 416 2HD2 ASN 50 2HD2 ASN 50 15.653 2.696 -4.458 417 H ILE 51 H ILE 51 11.993 5.930 -3.632 418 HA ILE 51 HA ILE 51 9.578 4.831 -4.584 419 HB ILE 51 HB ILE 51 11.502 6.705 -5.968 420 1HG1 ILE 51 2HG1 ILE 51 10.669 7.543 -3.802 421 2HG1 ILE 51 1HG1 ILE 51 10.047 8.489 -5.151 422 1HG2 ILE 51 1HG2 ILE 51 9.609 7.366 -7.360 423 2HG2 ILE 51 2HG2 ILE 51 8.599 6.150 -6.578 424 3HG2 ILE 51 3HG2 ILE 51 9.977 5.654 -7.560 425 1HD1 ILE 51 1HD1 ILE 51 8.341 8.081 -3.464 426 2HD1 ILE 51 2HD1 ILE 51 8.547 6.342 -3.670 427 3HD1 ILE 51 3HD1 ILE 51 7.921 7.318 -4.998 428 H LEU 52 H LEU 52 12.893 4.122 -5.385 429 HA LEU 52 HA LEU 52 12.349 3.161 -8.033 430 1HB LEU 52 2HB LEU 52 14.782 3.143 -6.277 431 2HB LEU 52 1HB LEU 52 14.765 2.296 -7.810 432 HG LEU 52 HG LEU 52 14.223 4.491 -8.925 433 1HD1 LEU 52 1HD1 LEU 52 14.946 5.630 -6.226 434 2HD1 LEU 52 2HD1 LEU 52 13.341 5.663 -6.958 435 3HD1 LEU 52 3HD1 LEU 52 14.672 6.546 -7.709 436 1HD2 LEU 52 1HD2 LEU 52 16.476 3.550 -8.906 437 2HD2 LEU 52 2HD2 LEU 52 16.799 4.340 -7.363 438 3HD2 LEU 52 3HD2 LEU 52 16.521 5.312 -8.809 439 H HIS 53 H HIS 53 10.885 1.751 -5.869 440 HA HIS 53 HA HIS 53 11.625 -0.943 -6.725 441 1HB HIS 53 2HB HIS 53 11.497 -0.054 -3.851 442 2HB HIS 53 1HB HIS 53 11.205 -1.730 -4.302 443 HD1 HIS 53 HD1 HIS 53 13.874 0.555 -3.427 444 HD2 HIS 53 HD2 HIS 53 13.523 -2.887 -5.736 445 HE1 HIS 53 HE1 HIS 53 16.217 -0.311 -3.717 446 HE2 HIS 53 HE2 HIS 53 15.998 -2.303 -5.238 447 H LEU 54 H LEU 54 9.278 1.253 -6.649 448 HA LEU 54 HA LEU 54 7.188 -0.746 -6.646 449 1HB LEU 54 2HB LEU 54 5.779 0.650 -5.061 450 2HB LEU 54 1HB LEU 54 7.065 -0.303 -4.353 451 HG LEU 54 HG LEU 54 8.454 1.869 -4.415 452 1HD1 LEU 54 1HD1 LEU 54 6.981 3.150 -5.879 453 2HD1 LEU 54 2HD1 LEU 54 7.163 3.933 -4.309 454 3HD1 LEU 54 3HD1 LEU 54 5.689 3.040 -4.684 455 1HD2 LEU 54 1HD2 LEU 54 7.482 2.608 -2.285 456 2HD2 LEU 54 2HD2 LEU 54 7.655 0.854 -2.368 457 3HD2 LEU 54 3HD2 LEU 54 6.071 1.598 -2.592 458 H GLU 55 H GLU 55 5.102 0.098 -7.392 459 HA GLU 55 HA GLU 55 5.201 2.718 -8.670 460 1HB GLU 55 2HB GLU 55 4.168 1.801 -10.696 461 2HB GLU 55 1HB GLU 55 5.766 1.134 -10.430 462 1HG GLU 55 2HG GLU 55 4.777 -0.912 -9.577 463 2HG GLU 55 1HG GLU 55 3.163 -0.233 -9.791 464 HA PRO 56 HA PRO 56 1.205 3.138 -6.863 465 1HB PRO 56 2HB PRO 56 0.413 4.877 -9.087 466 2HB PRO 56 1HB PRO 56 0.667 5.281 -7.388 467 1HG PRO 56 2HG PRO 56 2.355 6.102 -9.323 468 2HG PRO 56 1HG PRO 56 2.910 5.707 -7.687 469 1HD PRO 56 2HD PRO 56 3.057 4.061 -10.186 470 2HD PRO 56 1HD PRO 56 4.276 4.289 -8.914 471 H THR 57 H THR 57 -0.868 2.393 -7.007 472 HA THR 57 HA THR 57 -1.721 1.186 -9.555 473 HB THR 57 HB THR 57 -2.768 -0.641 -8.098 474 HG1 THR 57 HG1 THR 57 -2.335 0.505 -6.095 475 1HG2 THR 57 1HG2 THR 57 0.240 -0.493 -8.290 476 2HG2 THR 57 2HG2 THR 57 -0.851 -1.051 -9.558 477 3HG2 THR 57 3HG2 THR 57 -0.707 -1.963 -8.055 478 H ASP 58 H ASP 58 -3.844 1.315 -10.032 479 HA ASP 58 HA ASP 58 -6.017 1.949 -10.008 480 1HB ASP 58 2HB ASP 58 -5.874 0.182 -8.128 481 2HB ASP 58 1HB ASP 58 -6.016 1.544 -7.025 482 H LYS 59 H LYS 59 -7.373 3.160 -7.670 483 HA LYS 59 HA LYS 59 -6.698 5.916 -8.355 484 1HB LYS 59 2HB LYS 59 -9.084 4.879 -6.821 485 2HB LYS 59 1HB LYS 59 -8.907 6.454 -7.580 486 1HG LYS 59 2HG LYS 59 -8.986 5.479 -9.770 487 2HG LYS 59 1HG LYS 59 -8.962 3.850 -9.090 488 1HD LYS 59 2HD LYS 59 -11.151 5.895 -8.713 489 2HD LYS 59 1HD LYS 59 -11.214 4.503 -9.794 490 1HE LYS 59 2HE LYS 59 -10.927 4.390 -6.795 491 2HE LYS 59 1HE LYS 59 -12.412 4.093 -7.693 492 1HZ LYS 59 1HZ LYS 59 -9.918 2.469 -7.772 493 2HZ LYS 59 2HZ LYS 59 -11.245 2.220 -8.800 494 3HZ LYS 59 3HZ LYS 59 -11.420 2.017 -7.134 495 H LYS 60 H LYS 60 -6.966 7.546 -6.561 496 HA LYS 60 HA LYS 60 -5.663 6.529 -4.140 497 1HB LYS 60 2HB LYS 60 -5.095 8.927 -3.715 498 2HB LYS 60 1HB LYS 60 -4.368 8.262 -5.168 499 1HG LYS 60 2HG LYS 60 -5.784 9.478 -6.573 500 2HG LYS 60 1HG LYS 60 -6.926 9.817 -5.271 501 1HD LYS 60 2HD LYS 60 -4.109 10.813 -5.093 502 2HD LYS 60 1HD LYS 60 -5.291 11.682 -6.074 503 1HE LYS 60 2HE LYS 60 -5.983 10.925 -3.266 504 2HE LYS 60 1HE LYS 60 -4.937 12.312 -3.554 505 1HZ LYS 60 1HZ LYS 60 -6.611 13.380 -4.799 506 2HZ LYS 60 2HZ LYS 60 -7.388 12.809 -3.401 507 3HZ LYS 60 3HZ LYS 60 -7.577 11.991 -4.875 508 H ILE 61 H ILE 61 -6.368 7.180 -2.092 509 HA ILE 61 HA ILE 61 -9.127 8.153 -1.943 510 HB ILE 61 HB ILE 61 -9.005 7.624 0.466 511 1HG1 ILE 61 2HG1 ILE 61 -6.235 6.590 -0.186 512 2HG1 ILE 61 1HG1 ILE 61 -6.598 8.003 0.795 513 1HG2 ILE 61 1HG2 ILE 61 -8.945 5.187 0.253 514 2HG2 ILE 61 2HG2 ILE 61 -8.160 5.346 -1.319 515 3HG2 ILE 61 3HG2 ILE 61 -9.807 5.937 -1.094 516 1HD1 ILE 61 1HD1 ILE 61 -7.693 6.573 2.446 517 2HD1 ILE 61 2HD1 ILE 61 -6.013 6.103 2.181 518 3HD1 ILE 61 3HD1 ILE 61 -7.318 5.160 1.458 519 H ASP 62 H ASP 62 -9.616 10.001 -0.575 520 HA ASP 62 HA ASP 62 -7.569 12.003 -0.902 521 1HB ASP 62 2HB ASP 62 -10.484 12.091 -0.221 522 2HB ASP 62 1HB ASP 62 -9.464 13.502 0.016 523 H ILE 63 H ILE 63 -6.041 11.587 0.604 524 HA ILE 63 HA ILE 63 -6.773 12.447 3.313 525 HB ILE 63 HB ILE 63 -5.050 10.934 4.262 526 1HG1 ILE 63 2HG1 ILE 63 -5.058 9.683 1.506 527 2HG1 ILE 63 1HG1 ILE 63 -3.731 10.604 2.205 528 1HG2 ILE 63 1HG2 ILE 63 -6.368 8.862 4.114 529 2HG2 ILE 63 2HG2 ILE 63 -7.287 9.564 2.781 530 3HG2 ILE 63 3HG2 ILE 63 -7.370 10.287 4.388 531 1HD1 ILE 63 1HD1 ILE 63 -3.458 8.915 3.932 532 2HD1 ILE 63 2HD1 ILE 63 -3.334 8.203 2.321 533 3HD1 ILE 63 3HD1 ILE 63 -4.811 8.002 3.266 534 H GLN 64 H GLN 64 -4.643 13.054 4.514 535 HA GLN 64 HA GLN 64 -2.850 14.364 2.597 536 1HB GLN 64 2HB GLN 64 -3.914 15.417 5.218 537 2HB GLN 64 1HB GLN 64 -2.582 16.155 4.340 538 1HG GLN 64 2HG GLN 64 -4.052 16.487 2.407 539 2HG GLN 64 1HG GLN 64 -5.386 15.781 3.314 540 1HE2 GLN 64 1HE2 GLN 64 -5.112 18.423 2.128 541 2HE2 GLN 64 2HE2 GLN 64 -5.333 19.556 3.412 542 H LYS 65 H LYS 65 -0.769 15.086 3.820 543 HA LYS 65 HA LYS 65 0.671 12.755 4.290 544 1HB LYS 65 2HB LYS 65 1.545 15.003 3.543 545 2HB LYS 65 1HB LYS 65 1.447 15.520 5.220 546 1HG LYS 65 2HG LYS 65 3.042 13.787 5.852 547 2HG LYS 65 1HG LYS 65 3.136 13.259 4.170 548 1HD LYS 65 2HD LYS 65 3.871 15.594 3.591 549 2HD LYS 65 1HD LYS 65 3.986 15.910 5.321 550 1HE LYS 65 2HE LYS 65 5.495 13.765 3.836 551 2HE LYS 65 1HE LYS 65 6.155 15.324 4.320 552 1HZ LYS 65 1HZ LYS 65 5.065 13.319 6.226 553 2HZ LYS 65 2HZ LYS 65 5.900 14.748 6.604 554 3HZ LYS 65 3HZ LYS 65 6.707 13.469 5.840 555 HN2 GLY 66 H GLY 66 0.825 11.469 5.995 556 1HA GLY 66 2HA GLY 66 1.361 11.140 8.311 557 2HA GLY 66 1HA GLY 66 0.504 12.629 8.683 558 H ALA 67 H ALA 67 -0.440 9.774 6.779 559 HA ALA 67 HA ALA 67 -2.949 9.700 8.285 560 1HB ALA 67 1HB ALA 67 -3.783 8.278 6.507 561 2HB ALA 67 2HB ALA 67 -2.177 8.214 5.779 562 3HB ALA 67 3HB ALA 67 -3.063 9.740 5.833 563 H SER 68 H SER 68 -3.454 8.110 9.681 564 HA SER 68 HA SER 68 -1.462 6.043 10.203 565 1HB SER 68 2HB SER 68 -3.973 6.698 11.764 566 2HB SER 68 1HB SER 68 -2.612 5.721 12.308 567 HG SER 68 HG SER 68 -1.538 7.979 11.620 568 H ASP 69 H ASP 69 -2.410 3.850 10.895 569 HA ASP 69 HA ASP 69 -3.582 2.540 8.742 570 1HB ASP 69 2HB ASP 69 -2.401 1.255 10.373 571 2HB ASP 69 1HB ASP 69 -3.435 1.826 11.674 572 H GLU 70 H GLU 70 -5.131 3.579 11.755 573 HA GLU 70 HA GLU 70 -7.722 2.717 11.210 574 1HB GLU 70 2HB GLU 70 -6.779 3.615 13.383 575 2HB GLU 70 1HB GLU 70 -7.007 5.224 12.726 576 1HG GLU 70 2HG GLU 70 -9.390 4.855 12.550 577 2HG GLU 70 1HG GLU 70 -9.197 3.201 13.132 578 H GLU 71 H GLU 71 -6.167 5.804 10.540 579 HA GLU 71 HA GLU 71 -8.334 7.165 9.424 580 1HB GLU 71 2HB GLU 71 -6.163 8.203 10.039 581 2HB GLU 71 1HB GLU 71 -5.416 7.408 8.661 582 1HG GLU 71 2HG GLU 71 -5.819 9.609 7.979 583 2HG GLU 71 1HG GLU 71 -7.078 8.643 7.212 584 H VAL 72 H VAL 72 -5.743 5.375 7.731 585 HA VAL 72 HA VAL 72 -6.805 5.633 5.146 586 HB VAL 72 HB VAL 72 -5.056 3.420 6.250 587 1HG1 VAL 72 1HG1 VAL 72 -5.572 4.242 3.392 588 2HG1 VAL 72 2HG1 VAL 72 -6.095 2.743 4.159 589 3HG1 VAL 72 3HG1 VAL 72 -4.377 3.057 3.918 590 1HG2 VAL 72 1HG2 VAL 72 -3.205 4.708 5.302 591 2HG2 VAL 72 2HG2 VAL 72 -4.074 5.629 6.531 592 3HG2 VAL 72 3HG2 VAL 72 -4.332 5.975 4.821 593 H LYS 73 H LYS 73 -7.276 3.209 7.633 594 HA LYS 73 HA LYS 73 -8.756 1.299 6.257 595 1HB LYS 73 2HB LYS 73 -7.839 1.121 8.566 596 2HB LYS 73 1HB LYS 73 -9.101 2.206 9.119 597 1HG LYS 73 2HG LYS 73 -10.783 0.536 8.377 598 2HG LYS 73 1HG LYS 73 -9.451 -0.563 8.000 599 1HD LYS 73 2HD LYS 73 -10.207 0.569 10.690 600 2HD LYS 73 1HD LYS 73 -10.221 -1.125 10.189 601 1HE LYS 73 2HE LYS 73 -7.819 -1.145 10.024 602 2HE LYS 73 1HE LYS 73 -7.742 0.586 10.341 603 1HZ LYS 73 1HZ LYS 73 -8.597 -1.532 12.236 604 2HZ LYS 73 2HZ LYS 73 -8.711 0.126 12.553 605 3HZ LYS 73 3HZ LYS 73 -7.192 -0.587 12.321 606 H LYS 74 H LYS 74 -9.868 4.171 8.016 607 HA LYS 74 HA LYS 74 -12.635 3.664 7.531 608 1HB LYS 74 2HB LYS 74 -11.415 5.073 9.391 609 2HB LYS 74 1HB LYS 74 -11.590 6.377 8.231 610 1HG LYS 74 2HG LYS 74 -13.955 4.732 9.046 611 2HG LYS 74 1HG LYS 74 -13.392 6.070 10.045 612 1HD LYS 74 2HD LYS 74 -13.671 7.604 8.165 613 2HD LYS 74 1HD LYS 74 -14.196 6.264 7.142 614 1HE LYS 74 2HE LYS 74 -15.604 6.968 9.702 615 2HE LYS 74 1HE LYS 74 -16.010 7.739 8.171 616 1HZ LYS 74 1HZ LYS 74 -17.349 5.706 8.864 617 2HZ LYS 74 2HZ LYS 74 -15.986 4.788 8.444 618 3HZ LYS 74 3HZ LYS 74 -16.760 5.744 7.274 619 H LYS 75 H LYS 75 -10.169 5.684 6.018 620 HA LYS 75 HA LYS 75 -11.904 7.025 4.226 621 1HB LYS 75 2HB LYS 75 -8.982 6.337 3.867 622 2HB LYS 75 1HB LYS 75 -9.879 7.514 2.919 623 1HG LYS 75 2HG LYS 75 -9.312 7.672 5.868 624 2HG LYS 75 1HG LYS 75 -8.519 8.604 4.598 625 1HD LYS 75 2HD LYS 75 -10.652 9.657 4.037 626 2HD LYS 75 1HD LYS 75 -11.453 8.717 5.300 627 1HE LYS 75 2HE LYS 75 -10.008 9.776 6.982 628 2HE LYS 75 1HE LYS 75 -9.245 10.731 5.711 629 1HZ LYS 75 1HZ LYS 75 -11.364 11.766 5.245 630 2HZ LYS 75 2HZ LYS 75 -10.964 11.982 6.880 631 3HZ LYS 75 3HZ LYS 75 -12.117 10.828 6.438 632 H LEU 76 H LEU 76 -9.976 4.065 3.880 633 HA LEU 76 HA LEU 76 -10.747 3.443 1.239 634 1HB LEU 76 2HB LEU 76 -8.846 2.410 2.470 635 2HB LEU 76 1HB LEU 76 -9.995 1.546 3.473 636 HG LEU 76 HG LEU 76 -10.846 0.419 1.399 637 1HD1 LEU 76 1HD1 LEU 76 -9.423 0.458 -0.588 638 2HD1 LEU 76 2HD1 LEU 76 -8.407 1.688 0.162 639 3HD1 LEU 76 3HD1 LEU 76 -10.085 2.054 -0.237 640 1HD2 LEU 76 1HD2 LEU 76 -7.932 0.045 2.076 641 2HD2 LEU 76 2HD2 LEU 76 -8.952 -1.126 1.240 642 3HD2 LEU 76 3HD2 LEU 76 -9.300 -0.690 2.912 643 H GLU 77 H GLU 77 -12.223 2.933 4.334 644 HA GLU 77 HA GLU 77 -14.267 1.132 3.647 645 1HB GLU 77 2HB GLU 77 -13.589 1.710 5.946 646 2HB GLU 77 1HB GLU 77 -14.219 3.330 5.723 647 1HG GLU 77 2HG GLU 77 -16.466 2.437 5.494 648 2HG GLU 77 1HG GLU 77 -15.839 0.799 5.693 649 H GLU 78 H GLU 78 -14.200 4.669 3.793 650 HA GLU 78 HA GLU 78 -16.822 5.153 2.925 651 1HB GLU 78 2HB GLU 78 -14.340 6.848 2.602 652 2HB GLU 78 1HB GLU 78 -15.977 7.413 2.300 653 1HG GLU 78 2HG GLU 78 -14.919 6.434 4.945 654 2HG GLU 78 1HG GLU 78 -15.146 8.119 4.483 655 H SER 79 H SER 79 -13.790 5.070 1.044 656 HA SER 79 HA SER 79 -15.009 5.503 -1.459 657 1HB SER 79 2HB SER 79 -12.404 4.084 -0.854 658 2HB SER 79 1HB SER 79 -12.865 4.828 -2.381 659 HG SER 79 HG SER 79 -11.948 6.545 -1.594 660 H ASN 80 H ASN 80 -14.543 2.692 0.504 661 HA ASN 80 HA ASN 80 -15.295 0.569 0.390 662 1HB ASN 80 2HB ASN 80 -17.406 1.792 -0.357 663 2HB ASN 80 1HB ASN 80 -16.958 1.355 -2.002 664 1HD2 ASN 80 1HD2 ASN 80 -18.044 0.181 1.085 665 2HD2 ASN 80 2HD2 ASN 80 -18.519 -1.396 0.542 666 H LEU 81 H LEU 81 -12.885 0.861 -0.604 667 HA LEU 81 HA LEU 81 -12.868 -0.863 -2.998 668 1HB LEU 81 2HB LEU 81 -11.112 1.387 -2.168 669 2HB LEU 81 1HB LEU 81 -10.341 0.028 -2.961 670 HG LEU 81 HG LEU 81 -10.814 1.710 -4.602 671 1HD1 LEU 81 1HD1 LEU 81 -11.075 -0.578 -5.351 672 2HD1 LEU 81 2HD1 LEU 81 -12.247 0.465 -6.159 673 3HD1 LEU 81 3HD1 LEU 81 -12.760 -0.576 -4.832 674 1HD2 LEU 81 1HD2 LEU 81 -13.092 2.473 -5.083 675 2HD2 LEU 81 2HD2 LEU 81 -12.584 2.916 -3.454 676 3HD2 LEU 81 3HD2 LEU 81 -13.685 1.560 -3.699 677 H THR 82 H THR 82 -13.083 -1.463 -0.090 678 HA THR 82 HA THR 82 -10.754 -2.406 1.044 679 HB THR 82 HB THR 82 -13.436 -3.753 1.350 680 HG1 THR 82 HG1 THR 82 -13.633 -2.081 3.089 681 1HG2 THR 82 1HG2 THR 82 -11.143 -3.296 3.267 682 2HG2 THR 82 2HG2 THR 82 -11.563 -4.827 2.498 683 3HG2 THR 82 3HG2 THR 82 -12.668 -4.091 3.658 684 H GLU 83 H GLU 83 -12.916 -4.019 -1.256 685 HA GLU 83 HA GLU 83 -11.899 -6.599 -1.065 686 1HB GLU 83 2HB GLU 83 -13.069 -5.221 -3.485 687 2HB GLU 83 1HB GLU 83 -12.900 -6.950 -3.265 688 1HG GLU 83 2HG GLU 83 -14.407 -6.776 -1.285 689 2HG GLU 83 1HG GLU 83 -14.680 -5.090 -1.726 690 H TYR 84 H TYR 84 -10.917 -3.889 -3.123 691 HA TYR 84 HA TYR 84 -9.077 -5.343 -4.698 692 1HB TYR 84 2HB TYR 84 -9.911 -3.229 -5.507 693 2HB TYR 84 1HB TYR 84 -9.278 -2.384 -4.098 694 HD1 TYR 84 HD2 TYR 84 -8.200 -4.349 -7.075 695 HD2 TYR 84 HD1 TYR 84 -7.152 -1.434 -4.157 696 HE1 TYR 84 HE2 TYR 84 -6.099 -3.908 -8.277 697 HE2 TYR 84 HE1 TYR 84 -5.049 -0.987 -5.348 698 HH TYR 84 HH TYR 84 -4.431 -2.100 -8.496 699 H MET 85 H MET 85 -8.812 -3.726 -1.609 700 HA MET 85 HA MET 85 -5.931 -3.795 -1.622 701 1HB MET 85 2HB MET 85 -7.785 -2.265 -0.298 702 2HB MET 85 1HB MET 85 -7.252 -3.368 0.963 703 1HG MET 85 2HG MET 85 -5.539 -1.508 -0.667 704 2HG MET 85 1HG MET 85 -5.930 -1.374 1.046 705 1HE MET 85 1HE MET 85 -3.352 -1.070 1.605 706 2HE MET 85 2HE MET 85 -2.954 -1.210 -0.107 707 3HE MET 85 3HE MET 85 -2.098 -2.191 1.078 708 H LYS 86 H LYS 86 -8.512 -5.444 0.203 709 HA LYS 86 HA LYS 86 -6.733 -7.005 1.756 710 1HB LYS 86 2HB LYS 86 -9.071 -6.552 2.428 711 2HB LYS 86 1HB LYS 86 -9.632 -7.580 1.114 712 1HG LYS 86 2HG LYS 86 -8.499 -9.499 2.128 713 2HG LYS 86 1HG LYS 86 -7.937 -8.470 3.442 714 1HD LYS 86 2HD LYS 86 -9.852 -9.693 4.204 715 2HD LYS 86 1HD LYS 86 -10.316 -8.003 4.011 716 1HE LYS 86 2HE LYS 86 -11.418 -8.489 1.929 717 2HE LYS 86 1HE LYS 86 -10.813 -10.147 1.950 718 1HZ LYS 86 1HZ LYS 86 -13.164 -9.897 2.673 719 2HZ LYS 86 2HZ LYS 86 -12.619 -9.034 4.031 720 3HZ LYS 86 3HZ LYS 86 -12.167 -10.656 3.812 721 H GLU 87 H GLU 87 -8.481 -7.683 -1.266 722 HA GLU 87 HA GLU 87 -7.599 -10.393 -1.367 723 1HB GLU 87 2HB GLU 87 -9.614 -9.638 -2.570 724 2HB GLU 87 1HB GLU 87 -8.610 -8.639 -3.613 725 1HG GLU 87 2HG GLU 87 -7.626 -10.511 -4.640 726 2HG GLU 87 1HG GLU 87 -8.218 -11.606 -3.393 727 H LYS 88 H LYS 88 -5.757 -11.199 -2.064 728 HA LYS 88 HA LYS 88 -3.746 -9.298 -2.986 729 1HB LYS 88 2HB LYS 88 -2.133 -11.193 -2.494 730 2HB LYS 88 1HB LYS 88 -2.960 -10.491 -1.116 731 1HG LYS 88 2HG LYS 88 -4.636 -12.531 -1.724 732 2HG LYS 88 1HG LYS 88 -3.084 -13.208 -2.214 733 1HD LYS 88 2HD LYS 88 -3.552 -13.764 0.104 734 2HD LYS 88 1HD LYS 88 -2.168 -12.670 0.009 735 1HE LYS 88 2HE LYS 88 -3.564 -10.791 0.607 736 2HE LYS 88 1HE LYS 88 -5.002 -11.807 0.580 737 1HZ LYS 88 1HZ LYS 88 -2.736 -11.985 2.493 738 2HZ LYS 88 2HZ LYS 88 -4.015 -13.090 2.427 739 3HZ LYS 88 3HZ LYS 88 -4.316 -11.475 2.829 740 H ILE 89 H ILE 89 -4.204 -9.029 -5.085 741 HA ILE 89 HA ILE 89 -4.473 -11.303 -6.864 742 HB ILE 89 HB ILE 89 -4.334 -8.376 -7.596 743 1HG1 ILE 89 2HG1 ILE 89 -6.916 -8.899 -7.980 744 2HG1 ILE 89 1HG1 ILE 89 -6.622 -10.071 -6.698 745 1HG2 ILE 89 1HG2 ILE 89 -3.833 -9.812 -9.455 746 2HG2 ILE 89 2HG2 ILE 89 -5.426 -9.092 -9.677 747 3HG2 ILE 89 3HG2 ILE 89 -5.283 -10.768 -9.148 748 1HD1 ILE 89 1HD1 ILE 89 -5.848 -8.285 -5.235 749 2HD1 ILE 89 2HD1 ILE 89 -7.480 -7.966 -5.821 750 3HD1 ILE 89 3HD1 ILE 89 -6.108 -7.108 -6.520 751 H LYS 90 H LYS 90 -2.901 -12.033 -8.206 752 HA LYS 90 HA LYS 90 -0.370 -10.588 -8.325 753 1HB LYS 90 2HB LYS 90 0.905 -12.572 -7.597 754 2HB LYS 90 1HB LYS 90 -0.139 -11.948 -6.329 755 1HG LYS 90 2HG LYS 90 -1.773 -13.705 -6.811 756 2HG LYS 90 1HG LYS 90 -0.711 -14.339 -8.071 757 1HD LYS 90 2HD LYS 90 1.035 -14.699 -6.364 758 2HD LYS 90 1HD LYS 90 -0.092 -14.143 -5.127 759 1HE LYS 90 2HE LYS 90 -1.581 -15.979 -5.598 760 2HE LYS 90 1HE LYS 90 -0.572 -16.496 -6.949 761 1HZ LYS 90 1HZ LYS 90 0.175 -16.500 -4.073 762 2HZ LYS 90 2HZ LYS 90 1.236 -16.880 -5.342 763 3HZ LYS 90 3HZ LYS 90 -0.122 -17.858 -5.049 764 H ILE 91 H ILE 91 1.207 -11.767 -9.765 765 HA ILE 91 HA ILE 91 -0.258 -13.097 -11.950 766 HB ILE 91 HB ILE 91 2.070 -11.180 -12.210 767 1HG1 ILE 91 2HG1 ILE 91 -0.830 -10.874 -13.035 768 2HG1 ILE 91 1HG1 ILE 91 -0.072 -10.072 -11.664 769 1HG2 ILE 91 1HG2 ILE 91 2.165 -12.936 -13.886 770 2HG2 ILE 91 2HG2 ILE 91 1.704 -11.404 -14.632 771 3HG2 ILE 91 3HG2 ILE 91 0.482 -12.637 -14.320 772 1HD1 ILE 91 1HD1 ILE 91 -0.286 -8.586 -13.576 773 2HD1 ILE 91 2HD1 ILE 91 0.679 -9.694 -14.551 774 3HD1 ILE 91 3HD1 ILE 91 1.405 -8.872 -13.169 775 H ARG 92 H ARG 92 0.441 -15.055 -12.436 776 HA ARG 92 HA ARG 92 3.274 -15.673 -12.331 777 1HB ARG 92 2HB ARG 92 2.842 -17.825 -11.100 778 2HB ARG 92 1HB ARG 92 2.688 -16.375 -10.117 779 1HG ARG 92 2HG ARG 92 0.384 -16.559 -9.974 780 2HG ARG 92 1HG ARG 92 0.278 -17.591 -11.401 781 1HD ARG 92 2HD ARG 92 -0.110 -18.788 -9.260 782 2HD ARG 92 1HD ARG 92 1.218 -19.441 -10.214 783 HE ARG 92 HE ARG 92 1.875 -17.533 -8.096 784 1HH1 ARG 92 1HH1 ARG 92 1.755 -20.855 -9.198 785 2HH1 ARG 92 2HH1 ARG 92 2.919 -21.416 -8.044 786 1HH2 ARG 92 1HH2 ARG 92 3.367 -18.261 -6.560 787 2HH2 ARG 92 2HH2 ARG 92 3.846 -19.939 -6.534 788 H MET 93 H MET 93 3.852 -17.360 -13.713 789 HA MET 93 HA MET 93 1.672 -18.648 -15.186 790 1HB MET 93 2HB MET 93 2.785 -18.292 -17.320 791 2HB MET 93 1HB MET 93 2.459 -16.748 -16.550 792 1HG MET 93 2HG MET 93 4.775 -16.579 -15.854 793 2HG MET 93 1HG MET 93 5.119 -18.160 -16.553 794 1HE MET 93 1HE MET 93 7.100 -17.320 -18.055 795 2HE MET 93 2HE MET 93 6.927 -15.766 -17.247 796 3HE MET 93 3HE MET 93 7.037 -15.836 -19.006 797 HA PRO 94 HA PRO 94 4.325 -22.166 -14.345 798 1HB PRO 94 2HB PRO 94 2.311 -23.727 -15.760 799 2HB PRO 94 1HB PRO 94 2.744 -23.770 -14.049 800 1HG PRO 94 2HG PRO 94 0.370 -22.809 -14.942 801 2HG PRO 94 1HG PRO 94 1.163 -22.204 -13.476 802 1HD PRO 94 2HD PRO 94 1.107 -21.016 -16.229 803 2HD PRO 94 1HD PRO 94 0.937 -20.212 -14.653 804 H THR 95 H THR 95 6.012 -22.698 -15.581 805 HA THR 95 HA THR 95 5.642 -22.666 -18.502 806 HB THR 95 HB THR 95 8.159 -22.278 -18.556 807 HG1 THR 95 HG1 THR 95 7.909 -22.639 -15.959 808 1HG2 THR 95 1HG2 THR 95 6.568 -20.504 -19.058 809 2HG2 THR 95 2HG2 THR 95 7.928 -19.860 -18.139 810 3HG2 THR 95 3HG2 THR 95 6.386 -20.155 -17.339 811 H LEU 96 H LEU 96 5.851 -24.512 -19.524 812 HA LEU 96 HA LEU 96 7.094 -26.768 -18.140 813 1HB LEU 96 2HB LEU 96 5.944 -28.185 -19.801 814 2HB LEU 96 1HB LEU 96 4.840 -27.225 -18.839 815 HG LEU 96 HG LEU 96 5.676 -26.279 -21.565 816 1HD1 LEU 96 1HD1 LEU 96 4.892 -28.592 -21.823 817 2HD1 LEU 96 2HD1 LEU 96 3.761 -27.434 -22.518 818 3HD1 LEU 96 3HD1 LEU 96 3.411 -28.180 -20.958 819 1HD2 LEU 96 1HD2 LEU 96 3.497 -25.186 -21.500 820 2HD2 LEU 96 2HD2 LEU 96 4.464 -24.732 -20.097 821 3HD2 LEU 96 3HD2 LEU 96 3.165 -25.913 -19.928 Start of MODEL 14 1 1H MET 1 1H MET 1 -0.227 16.420 -13.952 2 2H MET 1 2H MET 1 0.924 16.130 -12.742 3 3H MET 1 3H MET 1 -0.580 16.791 -12.337 4 HA MET 1 HA MET 1 -1.713 14.803 -12.854 5 1HB MET 1 2HB MET 1 -0.307 14.208 -14.807 6 2HB MET 1 1HB MET 1 0.992 13.748 -13.715 7 1HG MET 1 2HG MET 1 -0.452 12.008 -12.758 8 2HG MET 1 1HG MET 1 -1.718 12.449 -13.901 9 1HE MET 1 1HE MET 1 0.155 13.104 -16.485 10 2HE MET 1 2HE MET 1 -1.388 12.258 -16.577 11 3HE MET 1 3HE MET 1 0.047 11.557 -17.325 12 HA PRO 2 HA PRO 2 -0.701 14.114 -8.569 13 1HB PRO 2 2HB PRO 2 -2.548 11.813 -8.973 14 2HB PRO 2 1HB PRO 2 -2.574 13.070 -7.733 15 1HG PRO 2 2HG PRO 2 -4.313 13.124 -9.741 16 2HG PRO 2 1HG PRO 2 -3.577 14.621 -9.138 17 1HD PRO 2 2HD PRO 2 -2.953 13.065 -11.612 18 2HD PRO 2 1HD PRO 2 -2.986 14.823 -11.359 19 H ALA 3 H ALA 3 1.355 13.375 -8.484 20 HA ALA 3 HA ALA 3 1.743 10.477 -8.842 21 1HB ALA 3 1HB ALA 3 2.814 11.735 -10.681 22 2HB ALA 3 2HB ALA 3 3.982 10.874 -9.679 23 3HB ALA 3 3HB ALA 3 3.773 12.615 -9.493 24 H ILE 4 H ILE 4 2.238 9.549 -7.006 25 HA ILE 4 HA ILE 4 2.992 9.112 -4.928 26 HB ILE 4 HB ILE 4 5.098 11.171 -5.593 27 1HG1 ILE 4 2HG1 ILE 4 5.035 9.351 -7.226 28 2HG1 ILE 4 1HG1 ILE 4 6.475 9.230 -6.224 29 1HG2 ILE 4 1HG2 ILE 4 5.027 10.765 -3.210 30 2HG2 ILE 4 2HG2 ILE 4 6.456 9.992 -3.898 31 3HG2 ILE 4 3HG2 ILE 4 5.046 9.021 -3.477 32 1HD1 ILE 4 1HD1 ILE 4 3.965 7.610 -5.879 33 2HD1 ILE 4 2HD1 ILE 4 5.434 7.469 -4.913 34 3HD1 ILE 4 3HD1 ILE 4 5.461 7.055 -6.627 35 H GLU 5 H GLU 5 1.157 9.901 -3.886 36 HA GLU 5 HA GLU 5 1.754 12.201 -2.198 37 1HB GLU 5 2HB GLU 5 -0.582 13.000 -2.336 38 2HB GLU 5 1HB GLU 5 0.262 13.120 -3.870 39 1HG GLU 5 2HG GLU 5 -1.585 10.849 -3.190 40 2HG GLU 5 1HG GLU 5 -2.120 12.333 -3.976 41 H VAL 6 H VAL 6 -0.127 12.268 -0.446 42 HA VAL 6 HA VAL 6 0.203 9.838 1.003 43 HB VAL 6 HB VAL 6 -1.316 11.001 2.694 44 1HG1 VAL 6 1HG1 VAL 6 0.445 12.571 3.365 45 2HG1 VAL 6 2HG1 VAL 6 1.200 12.394 1.781 46 3HG1 VAL 6 3HG1 VAL 6 1.111 11.014 2.876 47 1HG2 VAL 6 1HG2 VAL 6 -2.480 12.486 1.148 48 2HG2 VAL 6 2HG2 VAL 6 -0.959 13.282 0.746 49 3HG2 VAL 6 3HG2 VAL 6 -1.625 13.420 2.375 50 HN2 GLY 7 H GLY 7 -1.007 8.101 0.952 51 1HA GLY 7 2HA GLY 7 -3.135 7.014 1.137 52 2HA GLY 7 1HA GLY 7 -3.864 8.364 0.281 53 H ARG 8 H ARG 8 -1.015 7.620 -1.220 54 HA ARG 8 HA ARG 8 -2.409 6.407 -3.444 55 1HB ARG 8 2HB ARG 8 -0.698 8.187 -3.736 56 2HB ARG 8 1HB ARG 8 0.521 7.091 -3.106 57 1HG ARG 8 2HG ARG 8 0.133 5.582 -4.995 58 2HG ARG 8 1HG ARG 8 -1.074 6.707 -5.630 59 1HD ARG 8 2HD ARG 8 0.756 8.465 -5.568 60 2HD ARG 8 1HD ARG 8 1.882 7.138 -5.297 61 HE ARG 8 HE ARG 8 1.469 6.365 -7.484 62 1HH1 ARG 8 1HH1 ARG 8 -0.305 9.301 -6.731 63 2HH1 ARG 8 2HH1 ARG 8 -0.510 9.751 -8.407 64 1HH2 ARG 8 1HH2 ARG 8 1.202 6.975 -9.693 65 2HH2 ARG 8 2HH2 ARG 8 0.326 8.422 -10.079 66 H ILE 9 H ILE 9 -2.635 4.299 -3.675 67 HA ILE 9 HA ILE 9 -1.019 2.428 -2.194 68 HB ILE 9 HB ILE 9 -3.234 2.025 -4.214 69 1HG1 ILE 9 2HG1 ILE 9 -4.311 0.941 -2.151 70 2HG1 ILE 9 1HG1 ILE 9 -3.039 1.719 -1.220 71 1HG2 ILE 9 1HG2 ILE 9 -3.144 -0.364 -3.694 72 2HG2 ILE 9 2HG2 ILE 9 -1.705 -0.095 -2.708 73 3HG2 ILE 9 3HG2 ILE 9 -1.652 0.197 -4.448 74 1HD1 ILE 9 1HD1 ILE 9 -3.816 3.899 -1.979 75 2HD1 ILE 9 2HD1 ILE 9 -5.099 2.998 -1.175 76 3HD1 ILE 9 3HD1 ILE 9 -5.078 3.118 -2.935 77 H CYS 10 H CYS 10 0.689 1.338 -2.923 78 HA CYS 10 HA CYS 10 1.318 1.494 -5.793 79 1HB CYS 10 2HB CYS 10 3.313 1.638 -3.519 80 2HB CYS 10 1HB CYS 10 3.688 1.705 -5.238 81 HG CYS 10 HG CYS 10 1.729 4.049 -3.714 82 H VAL 11 H VAL 11 2.256 -0.330 -6.691 83 HA VAL 11 HA VAL 11 1.958 -2.750 -5.055 84 HB VAL 11 HB VAL 11 0.597 -2.582 -7.137 85 1HG1 VAL 11 1HG1 VAL 11 3.252 -2.761 -8.544 86 2HG1 VAL 11 2HG1 VAL 11 2.165 -1.373 -8.540 87 3HG1 VAL 11 3HG1 VAL 11 1.666 -2.880 -9.307 88 1HG2 VAL 11 1HG2 VAL 11 1.072 -4.833 -7.946 89 2HG2 VAL 11 2HG2 VAL 11 1.125 -4.752 -6.185 90 3HG2 VAL 11 3HG2 VAL 11 2.626 -4.808 -7.111 91 H LYS 12 H LYS 12 3.533 -4.365 -5.127 92 HA LYS 12 HA LYS 12 6.219 -3.360 -5.202 93 1HB LYS 12 2HB LYS 12 5.115 -6.125 -4.667 94 2HB LYS 12 1HB LYS 12 6.801 -5.680 -4.472 95 1HG LYS 12 2HG LYS 12 4.517 -4.412 -2.979 96 2HG LYS 12 1HG LYS 12 5.522 -5.722 -2.353 97 1HD LYS 12 2HD LYS 12 7.473 -4.329 -2.395 98 2HD LYS 12 1HD LYS 12 6.609 -3.059 -3.263 99 1HE LYS 12 2HE LYS 12 6.869 -2.532 -0.879 100 2HE LYS 12 1HE LYS 12 5.177 -2.678 -1.347 101 1HZ LYS 12 1HZ LYS 12 5.451 -3.807 0.696 102 2HZ LYS 12 2HZ LYS 12 6.812 -4.655 0.152 103 3HZ LYS 12 3HZ LYS 12 5.282 -5.004 -0.487 104 H VAL 13 H VAL 13 7.702 -3.616 -6.793 105 HA VAL 13 HA VAL 13 6.868 -4.891 -9.260 106 HB VAL 13 HB VAL 13 9.524 -3.549 -8.703 107 1HG1 VAL 13 1HG1 VAL 13 8.026 -4.090 -11.268 108 2HG1 VAL 13 2HG1 VAL 13 9.484 -4.917 -10.720 109 3HG1 VAL 13 3HG1 VAL 13 9.545 -3.205 -11.140 110 1HG2 VAL 13 1HG2 VAL 13 7.746 -1.978 -8.186 111 2HG2 VAL 13 2HG2 VAL 13 6.961 -2.328 -9.728 112 3HG2 VAL 13 3HG2 VAL 13 8.532 -1.525 -9.699 113 H LYS 14 H LYS 14 7.100 -6.626 -7.135 114 HA LYS 14 HA LYS 14 9.554 -8.141 -7.511 115 1HB LYS 14 2HB LYS 14 8.135 -7.874 -5.305 116 2HB LYS 14 1HB LYS 14 7.165 -9.162 -6.005 117 1HG LYS 14 2HG LYS 14 9.183 -10.572 -6.141 118 2HG LYS 14 1HG LYS 14 10.104 -9.284 -5.362 119 1HD LYS 14 2HD LYS 14 8.457 -9.426 -3.452 120 2HD LYS 14 1HD LYS 14 7.834 -10.894 -4.205 121 1HE LYS 14 2HE LYS 14 10.150 -11.830 -4.109 122 2HE LYS 14 1HE LYS 14 10.629 -10.406 -3.186 123 1HZ LYS 14 1HZ LYS 14 8.776 -12.571 -2.399 124 2HZ LYS 14 2HZ LYS 14 8.760 -11.073 -1.610 125 3HZ LYS 14 3HZ LYS 14 10.159 -12.023 -1.592 126 HN2 GLY 15 H GLY 15 9.322 -8.549 -9.740 127 1HA GLY 15 2HA GLY 15 8.783 -10.292 -11.298 128 2HA GLY 15 1HA GLY 15 7.271 -10.547 -10.431 129 H ARG 16 H ARG 16 5.509 -9.730 -11.376 130 HA ARG 16 HA ARG 16 5.537 -7.058 -12.440 131 1HB ARG 16 2HB ARG 16 4.856 -7.506 -14.669 132 2HB ARG 16 1HB ARG 16 6.273 -8.498 -14.382 133 1HG ARG 16 2HG ARG 16 3.483 -9.581 -14.124 134 2HG ARG 16 1HG ARG 16 4.352 -9.550 -15.656 135 1HD ARG 16 2HD ARG 16 6.144 -10.888 -14.656 136 2HD ARG 16 1HD ARG 16 5.255 -10.933 -13.132 137 HE ARG 16 HE ARG 16 3.450 -12.086 -14.473 138 1HH1 ARG 16 1HH1 ARG 16 6.830 -12.253 -15.403 139 2HH1 ARG 16 2HH1 ARG 16 6.667 -13.790 -16.201 140 1HH2 ARG 16 1HH2 ARG 16 3.237 -14.132 -15.488 141 2HH2 ARG 16 2HH2 ARG 16 4.635 -14.868 -16.232 142 H GLU 17 H GLU 17 4.210 -8.988 -10.463 143 HA GLU 17 HA GLU 17 1.447 -8.207 -11.068 144 1HB GLU 17 2HB GLU 17 2.051 -10.698 -11.568 145 2HB GLU 17 1HB GLU 17 2.042 -10.876 -9.820 146 1HG GLU 17 2HG GLU 17 -0.094 -11.521 -10.508 147 2HG GLU 17 1HG GLU 17 -0.291 -9.889 -9.874 148 H ALA 18 H ALA 18 3.049 -10.092 -8.534 149 HA ALA 18 HA ALA 18 3.515 -9.732 -6.350 150 1HB ALA 18 1HB ALA 18 2.782 -6.857 -6.839 151 2HB ALA 18 2HB ALA 18 4.386 -7.556 -7.059 152 3HB ALA 18 3HB ALA 18 3.660 -7.504 -5.453 153 HN2 GLY 19 H GLY 19 2.368 -10.344 -4.671 154 1HA GLY 19 2HA GLY 19 -0.488 -9.656 -4.591 155 2HA GLY 19 1HA GLY 19 0.269 -10.997 -3.740 156 H SER 20 H SER 20 1.788 -7.889 -3.758 157 HA SER 20 HA SER 20 0.893 -7.437 -0.998 158 1HB SER 20 2HB SER 20 3.720 -7.075 -2.012 159 2HB SER 20 1HB SER 20 3.157 -6.822 -0.361 160 HG SER 20 HG SER 20 2.418 -9.205 -0.783 161 H LYS 21 H LYS 21 -0.325 -5.679 -1.168 162 HA LYS 21 HA LYS 21 0.597 -3.415 -2.799 163 1HB LYS 21 2HB LYS 21 -2.105 -4.003 -1.559 164 2HB LYS 21 1HB LYS 21 -1.731 -2.598 -2.550 165 1HG LYS 21 2HG LYS 21 -1.678 -3.804 -4.490 166 2HG LYS 21 1HG LYS 21 -1.217 -5.301 -3.681 167 1HD LYS 21 2HD LYS 21 -3.482 -5.479 -2.751 168 2HD LYS 21 1HD LYS 21 -3.934 -3.992 -3.588 169 1HE LYS 21 2HE LYS 21 -3.639 -5.011 -5.722 170 2HE LYS 21 1HE LYS 21 -2.888 -6.434 -5.005 171 1HZ LYS 21 1HZ LYS 21 -5.221 -6.775 -5.683 172 2HZ LYS 21 2HZ LYS 21 -5.707 -5.624 -4.534 173 3HZ LYS 21 3HZ LYS 21 -4.960 -7.061 -4.031 174 H CYS 22 H CYS 22 0.860 -1.363 -1.852 175 HA CYS 22 HA CYS 22 0.588 -1.209 1.064 176 1HB CYS 22 2HB CYS 22 3.130 -0.501 -0.418 177 2HB CYS 22 1HB CYS 22 2.846 -0.308 1.310 178 HG CYS 22 HG CYS 22 2.178 -3.372 0.880 179 H VAL 23 H VAL 23 0.548 0.947 1.887 180 HA VAL 23 HA VAL 23 -0.266 2.914 -0.158 181 HB VAL 23 HB VAL 23 -1.135 2.777 2.738 182 1HG1 VAL 23 1HG1 VAL 23 -2.824 4.430 2.067 183 2HG1 VAL 23 2HG1 VAL 23 -2.108 4.497 0.457 184 3HG1 VAL 23 3HG1 VAL 23 -1.182 5.039 1.858 185 1HG2 VAL 23 1HG2 VAL 23 -3.316 2.041 1.864 186 2HG2 VAL 23 2HG2 VAL 23 -2.034 0.883 1.509 187 3HG2 VAL 23 3HG2 VAL 23 -2.627 1.959 0.243 188 H ILE 24 H ILE 24 0.825 4.789 -0.262 189 HA ILE 24 HA ILE 24 3.017 5.311 1.537 190 HB ILE 24 HB ILE 24 1.872 7.069 -0.643 191 1HG1 ILE 24 2HG1 ILE 24 4.245 5.191 -0.708 192 2HG1 ILE 24 1HG1 ILE 24 2.699 4.906 -1.500 193 1HG2 ILE 24 1HG2 ILE 24 4.050 8.214 -0.542 194 2HG2 ILE 24 2HG2 ILE 24 4.491 7.214 0.841 195 3HG2 ILE 24 3HG2 ILE 24 3.148 8.349 0.969 196 1HD1 ILE 24 1HD1 ILE 24 4.607 7.151 -2.125 197 2HD1 ILE 24 2HD1 ILE 24 3.067 6.841 -2.929 198 3HD1 ILE 24 3HD1 ILE 24 4.386 5.678 -3.071 199 H VAL 25 H VAL 25 2.601 6.051 3.514 200 HA VAL 25 HA VAL 25 0.316 7.847 3.905 201 HB VAL 25 HB VAL 25 1.916 6.429 6.028 202 1HG1 VAL 25 1HG1 VAL 25 0.751 8.405 6.834 203 2HG1 VAL 25 2HG1 VAL 25 0.002 6.939 7.470 204 3HG1 VAL 25 3HG1 VAL 25 -0.757 7.812 6.139 205 1HG2 VAL 25 1HG2 VAL 25 -0.719 5.635 4.795 206 2HG2 VAL 25 2HG2 VAL 25 0.055 4.845 6.168 207 3HG2 VAL 25 3HG2 VAL 25 0.818 4.797 4.579 208 H ASP 26 H ASP 26 3.791 7.683 4.084 209 HA ASP 26 HA ASP 26 3.813 10.541 4.706 210 1HB ASP 26 2HB ASP 26 4.263 9.478 6.843 211 2HB ASP 26 1HB ASP 26 5.526 8.488 6.118 212 H ILE 27 H ILE 27 5.062 11.637 3.406 213 HA ILE 27 HA ILE 27 7.001 10.232 1.727 214 HB ILE 27 HB ILE 27 5.972 13.069 1.468 215 1HG1 ILE 27 2HG1 ILE 27 5.178 10.593 -0.082 216 2HG1 ILE 27 1HG1 ILE 27 4.196 11.360 1.161 217 1HG2 ILE 27 1HG2 ILE 27 7.572 11.335 -0.412 218 2HG2 ILE 27 2HG2 ILE 27 8.147 12.764 0.446 219 3HG2 ILE 27 3HG2 ILE 27 6.914 12.923 -0.807 220 1HD1 ILE 27 1HD1 ILE 27 5.031 12.611 -1.444 221 2HD1 ILE 27 2HD1 ILE 27 4.032 13.371 -0.204 222 3HD1 ILE 27 3HD1 ILE 27 3.440 11.951 -1.069 223 H ILE 28 H ILE 28 8.808 10.049 2.940 224 HA ILE 28 HA ILE 28 9.645 12.036 4.823 225 HB ILE 28 HB ILE 28 11.297 9.727 3.784 226 1HG1 ILE 28 2HG1 ILE 28 9.330 9.720 6.091 227 2HG1 ILE 28 1HG1 ILE 28 9.058 8.943 4.535 228 1HG2 ILE 28 1HG2 ILE 28 12.500 11.384 5.113 229 2HG2 ILE 28 2HG2 ILE 28 12.360 9.860 5.990 230 3HG2 ILE 28 3HG2 ILE 28 11.317 11.218 6.411 231 1HD1 ILE 28 1HD1 ILE 28 11.233 8.244 6.495 232 2HD1 ILE 28 2HD1 ILE 28 10.939 7.456 4.945 233 3HD1 ILE 28 3HD1 ILE 28 9.739 7.341 6.233 234 H ASP 29 H ASP 29 11.154 10.718 1.893 235 HA ASP 29 HA ASP 29 12.427 13.337 1.436 236 1HB ASP 29 2HB ASP 29 13.450 10.547 0.973 237 2HB ASP 29 1HB ASP 29 14.060 11.886 0.012 238 H ASP 30 H ASP 30 13.117 13.268 -1.109 239 HA ASP 30 HA ASP 30 10.604 13.213 -2.498 240 1HB ASP 30 2HB ASP 30 12.470 14.885 -2.899 241 2HB ASP 30 1HB ASP 30 13.337 13.595 -3.728 242 H ASN 31 H ASN 31 13.553 11.290 -2.501 243 HA ASN 31 HA ASN 31 12.441 9.473 -4.507 244 1HB ASN 31 2HB ASN 31 15.157 9.521 -3.169 245 2HB ASN 31 1HB ASN 31 14.669 8.380 -4.415 246 1HD2 ASN 31 1HD2 ASN 31 15.595 11.638 -3.712 247 2HD2 ASN 31 2HD2 ASN 31 15.825 12.136 -5.353 248 H PHE 32 H PHE 32 12.528 9.780 -1.160 249 HA PHE 32 HA PHE 32 12.317 6.864 -0.762 250 1HB PHE 32 2HB PHE 32 14.419 8.270 0.086 251 2HB PHE 32 1HB PHE 32 13.331 8.616 1.421 252 HD1 PHE 32 HD1 PHE 32 14.610 5.729 -0.549 253 HD2 PHE 32 HD2 PHE 32 13.318 7.203 3.225 254 HE1 PHE 32 HE1 PHE 32 15.238 3.591 0.496 255 HE2 PHE 32 HE2 PHE 32 13.937 5.069 4.274 256 HZ PHE 32 HZ PHE 32 14.900 3.258 2.909 257 H VAL 33 H VAL 33 10.444 6.247 0.131 258 HA VAL 33 HA VAL 33 8.882 8.271 1.601 259 HB VAL 33 HB VAL 33 6.810 7.286 0.649 260 1HG1 VAL 33 1HG1 VAL 33 7.008 8.318 -1.565 261 2HG1 VAL 33 2HG1 VAL 33 8.760 8.375 -1.376 262 3HG1 VAL 33 3HG1 VAL 33 7.726 9.320 -0.304 263 1HG2 VAL 33 1HG2 VAL 33 6.966 5.879 -1.357 264 2HG2 VAL 33 2HG2 VAL 33 7.664 5.084 0.054 265 3HG2 VAL 33 3HG2 VAL 33 8.718 5.804 -1.164 266 H LEU 34 H LEU 34 7.057 7.240 2.870 267 HA LEU 34 HA LEU 34 8.031 4.752 4.109 268 1HB LEU 34 2HB LEU 34 8.024 6.737 5.582 269 2HB LEU 34 1HB LEU 34 6.308 6.936 5.291 270 HG LEU 34 HG LEU 34 5.920 4.711 6.345 271 1HD1 LEU 34 1HD1 LEU 34 8.146 3.767 5.963 272 2HD1 LEU 34 2HD1 LEU 34 7.692 3.704 7.664 273 3HD1 LEU 34 3HD1 LEU 34 8.830 4.928 7.100 274 1HD2 LEU 34 1HD2 LEU 34 6.274 5.488 8.639 275 2HD2 LEU 34 2HD2 LEU 34 5.621 6.765 7.612 276 3HD2 LEU 34 3HD2 LEU 34 7.333 6.766 8.041 277 H VAL 35 H VAL 35 6.858 3.029 3.597 278 HA VAL 35 HA VAL 35 4.029 3.445 2.892 279 HB VAL 35 HB VAL 35 4.159 1.390 1.539 280 1HG1 VAL 35 1HG1 VAL 35 5.522 2.307 -0.295 281 2HG1 VAL 35 2HG1 VAL 35 6.197 3.493 0.824 282 3HG1 VAL 35 3HG1 VAL 35 4.475 3.518 0.443 283 1HG2 VAL 35 1HG2 VAL 35 7.106 1.480 2.181 284 2HG2 VAL 35 2HG2 VAL 35 6.348 0.410 1.000 285 3HG2 VAL 35 3HG2 VAL 35 5.960 0.252 2.714 286 H THR 36 H THR 36 2.504 2.012 3.609 287 HA THR 36 HA THR 36 3.124 -0.302 5.138 288 HB THR 36 HB THR 36 3.621 1.506 6.816 289 HG1 THR 36 HG1 THR 36 2.829 -0.626 7.419 290 1HG2 THR 36 1HG2 THR 36 1.757 2.744 7.804 291 2HG2 THR 36 2HG2 THR 36 0.656 2.044 6.615 292 3HG2 THR 36 3HG2 THR 36 1.940 3.135 6.094 293 HN2 GLY 37 H GLY 37 0.841 -0.845 6.382 294 1HA GLY 37 2HA GLY 37 -1.407 0.007 4.739 295 2HA GLY 37 1HA GLY 37 -0.984 -1.699 4.663 296 HA PRO 38 HA PRO 38 -3.750 -0.794 8.425 297 1HB PRO 38 2HB PRO 38 -5.729 -2.353 6.892 298 2HB PRO 38 1HB PRO 38 -5.945 -0.853 7.798 299 1HG PRO 38 2HG PRO 38 -5.988 -0.899 5.114 300 2HG PRO 38 1HG PRO 38 -5.317 0.472 6.016 301 1HD PRO 38 2HD PRO 38 -3.894 -1.759 4.620 302 2HD PRO 38 1HD PRO 38 -3.478 -0.032 4.705 303 H LYS 39 H LYS 39 -3.306 -2.260 9.939 304 HA LYS 39 HA LYS 39 -2.285 -4.847 9.159 305 1HB LYS 39 2HB LYS 39 -2.670 -3.544 11.858 306 2HB LYS 39 1HB LYS 39 -2.032 -5.168 11.659 307 1HG LYS 39 2HG LYS 39 -0.158 -3.785 11.930 308 2HG LYS 39 1HG LYS 39 -0.235 -4.132 10.201 309 1HD LYS 39 2HD LYS 39 -1.400 -1.954 9.883 310 2HD LYS 39 1HD LYS 39 -1.128 -1.610 11.593 311 1HE LYS 39 2HE LYS 39 1.278 -1.751 11.254 312 2HE LYS 39 1HE LYS 39 1.027 -2.149 9.554 313 1HZ LYS 39 1HZ LYS 39 0.318 0.403 10.902 314 2HZ LYS 39 2HZ LYS 39 -0.062 0.024 9.291 315 3HZ LYS 39 3HZ LYS 39 1.556 0.163 9.765 316 H ASP 40 H ASP 40 -5.231 -3.521 10.316 317 HA ASP 40 HA ASP 40 -6.371 -6.052 11.118 318 1HB ASP 40 2HB ASP 40 -7.032 -4.062 12.315 319 2HB ASP 40 1HB ASP 40 -7.534 -3.278 10.825 320 H ILE 41 H ILE 41 -5.958 -4.351 8.217 321 HA ILE 41 HA ILE 41 -8.174 -5.799 6.941 322 HB ILE 41 HB ILE 41 -6.696 -3.347 5.986 323 1HG1 ILE 41 2HG1 ILE 41 -9.554 -3.756 6.897 324 2HG1 ILE 41 1HG1 ILE 41 -8.298 -2.905 7.788 325 1HG2 ILE 41 1HG2 ILE 41 -7.274 -4.761 4.094 326 2HG2 ILE 41 2HG2 ILE 41 -8.297 -3.323 4.120 327 3HG2 ILE 41 3HG2 ILE 41 -8.940 -4.873 4.663 328 1HD1 ILE 41 1HD1 ILE 41 -9.883 -1.410 6.642 329 2HD1 ILE 41 2HD1 ILE 41 -9.343 -2.068 5.099 330 3HD1 ILE 41 3HD1 ILE 41 -8.216 -1.181 6.123 331 H THR 42 H THR 42 -4.780 -4.862 6.383 332 HA THR 42 HA THR 42 -4.613 -7.040 4.405 333 HB THR 42 HB THR 42 -2.679 -4.740 4.557 334 HG1 THR 42 HG1 THR 42 -4.476 -4.313 2.633 335 1HG2 THR 42 1HG2 THR 42 -2.091 -6.653 3.145 336 2HG2 THR 42 2HG2 THR 42 -2.424 -5.226 2.165 337 3HG2 THR 42 3HG2 THR 42 -3.629 -6.507 2.296 338 HN2 GLY 43 H GLY 43 -2.735 -5.334 6.918 339 1HA GLY 43 2HA GLY 43 -1.519 -6.507 8.603 340 2HA GLY 43 1HA GLY 43 -1.400 -7.884 7.519 341 H VAL 44 H VAL 44 -0.756 -4.736 6.254 342 HA VAL 44 HA VAL 44 2.009 -5.480 5.795 343 HB VAL 44 HB VAL 44 0.548 -2.966 4.953 344 1HG1 VAL 44 1HG1 VAL 44 2.973 -2.695 5.017 345 2HG1 VAL 44 2HG1 VAL 44 2.365 -2.678 3.362 346 3HG1 VAL 44 3HG1 VAL 44 3.162 -4.119 3.994 347 1HG2 VAL 44 1HG2 VAL 44 0.410 -4.028 2.738 348 2HG2 VAL 44 2HG2 VAL 44 -0.488 -4.925 3.963 349 3HG2 VAL 44 3HG2 VAL 44 1.085 -5.509 3.418 350 H LYS 45 H LYS 45 3.636 -4.869 7.042 351 HA LYS 45 HA LYS 45 3.160 -3.148 9.305 352 1HB LYS 45 2HB LYS 45 5.451 -4.851 8.391 353 2HB LYS 45 1HB LYS 45 5.726 -3.618 9.611 354 1HG LYS 45 2HG LYS 45 5.346 -5.713 10.691 355 2HG LYS 45 1HG LYS 45 3.975 -4.654 11.007 356 1HD LYS 45 2HD LYS 45 3.163 -6.864 10.533 357 2HD LYS 45 1HD LYS 45 2.733 -5.804 9.190 358 1HE LYS 45 2HE LYS 45 4.628 -6.658 7.906 359 2HE LYS 45 1HE LYS 45 5.083 -7.694 9.256 360 1HZ LYS 45 1HZ LYS 45 3.022 -8.891 9.026 361 2HZ LYS 45 2HZ LYS 45 3.841 -8.889 7.540 362 3HZ LYS 45 3HZ LYS 45 2.511 -7.863 7.778 363 H ARG 46 H ARG 46 5.196 -1.647 9.807 364 HA ARG 46 HA ARG 46 5.221 0.303 7.648 365 1HB ARG 46 2HB ARG 46 4.734 1.226 9.785 366 2HB ARG 46 1HB ARG 46 6.080 0.384 10.537 367 1HG ARG 46 2HG ARG 46 7.642 1.787 9.245 368 2HG ARG 46 1HG ARG 46 6.263 2.665 8.578 369 1HD ARG 46 2HD ARG 46 6.784 2.417 11.532 370 2HD ARG 46 1HD ARG 46 7.421 3.737 10.555 371 HE ARG 46 HE ARG 46 5.021 4.225 10.014 372 1HH1 ARG 46 1HH1 ARG 46 5.881 2.567 12.982 373 2HH1 ARG 46 2HH1 ARG 46 4.529 3.217 13.870 374 1HH2 ARG 46 1HH2 ARG 46 3.263 5.079 11.187 375 2HH2 ARG 46 2HH2 ARG 46 3.044 4.622 12.851 376 H ARG 47 H ARG 47 6.858 0.519 6.271 377 HA ARG 47 HA ARG 47 9.577 0.069 7.182 378 1HB ARG 47 2HB ARG 47 10.175 -1.363 5.290 379 2HB ARG 47 1HB ARG 47 8.950 -2.128 6.290 380 1HG ARG 47 2HG ARG 47 7.230 -1.568 4.690 381 2HG ARG 47 1HG ARG 47 8.397 -0.674 3.713 382 1HD ARG 47 2HD ARG 47 8.596 -3.616 4.334 383 2HD ARG 47 1HD ARG 47 7.889 -2.960 2.859 384 HE ARG 47 HE ARG 47 10.204 -1.900 2.567 385 1HH1 ARG 47 1HH1 ARG 47 9.639 -4.966 4.150 386 2HH1 ARG 47 2HH1 ARG 47 11.178 -5.639 3.701 387 1HH2 ARG 47 1HH2 ARG 47 12.226 -2.804 1.903 388 2HH2 ARG 47 2HH2 ARG 47 12.635 -4.422 2.416 389 H ARG 48 H ARG 48 11.143 1.100 5.871 390 HA ARG 48 HA ARG 48 10.054 3.280 4.267 391 1HB ARG 48 2HB ARG 48 12.918 2.706 5.050 392 2HB ARG 48 1HB ARG 48 12.322 4.184 4.312 393 1HG ARG 48 2HG ARG 48 10.999 4.650 6.314 394 2HG ARG 48 1HG ARG 48 11.601 3.165 7.053 395 1HD ARG 48 2HD ARG 48 13.222 5.576 6.243 396 2HD ARG 48 1HD ARG 48 12.876 5.035 7.884 397 HE ARG 48 HE ARG 48 14.180 2.986 6.416 398 1HH1 ARG 48 1HH1 ARG 48 14.803 6.057 7.978 399 2HH1 ARG 48 2HH1 ARG 48 16.466 5.691 8.315 400 1HH2 ARG 48 1HH2 ARG 48 16.361 2.511 6.824 401 2HH2 ARG 48 2HH2 ARG 48 17.367 3.674 7.638 402 H VAL 49 H VAL 49 10.545 3.574 2.076 403 HA VAL 49 HA VAL 49 12.208 1.619 0.724 404 HB VAL 49 HB VAL 49 9.952 0.545 0.918 405 1HG1 VAL 49 1HG1 VAL 49 8.562 2.516 0.778 406 2HG1 VAL 49 2HG1 VAL 49 8.133 1.376 -0.498 407 3HG1 VAL 49 3HG1 VAL 49 9.096 2.803 -0.879 408 1HG2 VAL 49 1HG2 VAL 49 10.898 1.183 -1.875 409 2HG2 VAL 49 2HG2 VAL 49 9.804 -0.132 -1.446 410 3HG2 VAL 49 3HG2 VAL 49 11.463 -0.135 -0.848 411 H ASN 50 H ASN 50 12.628 2.191 -1.491 412 HA ASN 50 HA ASN 50 12.390 5.050 -1.958 413 1HB ASN 50 2HB ASN 50 13.988 4.673 -3.800 414 2HB ASN 50 1HB ASN 50 14.599 4.056 -2.273 415 1HD2 ASN 50 1HD2 ASN 50 16.013 2.621 -3.167 416 2HD2 ASN 50 2HD2 ASN 50 15.512 1.209 -4.036 417 H ILE 51 H ILE 51 11.753 5.816 -4.126 418 HA ILE 51 HA ILE 51 9.346 4.485 -4.989 419 HB ILE 51 HB ILE 51 9.114 6.426 -6.504 420 1HG1 ILE 51 2HG1 ILE 51 11.679 7.385 -5.218 421 2HG1 ILE 51 1HG1 ILE 51 11.539 6.807 -6.874 422 1HG2 ILE 51 1HG2 ILE 51 9.719 7.114 -3.634 423 2HG2 ILE 51 2HG2 ILE 51 8.187 6.504 -4.259 424 3HG2 ILE 51 3HG2 ILE 51 8.767 8.098 -4.746 425 1HD1 ILE 51 1HD1 ILE 51 10.191 9.239 -5.721 426 2HD1 ILE 51 2HD1 ILE 51 10.014 8.654 -7.377 427 3HD1 ILE 51 3HD1 ILE 51 11.582 9.221 -6.805 428 H LEU 52 H LEU 52 12.371 3.732 -5.614 429 HA LEU 52 HA LEU 52 12.368 3.823 -8.509 430 1HB LEU 52 2HB LEU 52 14.373 2.864 -6.480 431 2HB LEU 52 1HB LEU 52 14.592 2.602 -8.197 432 HG LEU 52 HG LEU 52 14.472 5.105 -8.499 433 1HD1 LEU 52 1HD1 LEU 52 14.884 6.515 -6.573 434 2HD1 LEU 52 2HD1 LEU 52 14.810 5.114 -5.505 435 3HD1 LEU 52 3HD1 LEU 52 13.367 5.637 -6.371 436 1HD2 LEU 52 1HD2 LEU 52 16.684 3.972 -6.799 437 2HD2 LEU 52 2HD2 LEU 52 16.776 5.461 -7.741 438 3HD2 LEU 52 3HD2 LEU 52 16.573 3.912 -8.560 439 H HIS 53 H HIS 53 11.205 1.697 -6.174 440 HA HIS 53 HA HIS 53 11.162 -0.470 -8.165 441 1HB HIS 53 2HB HIS 53 12.827 -0.760 -6.184 442 2HB HIS 53 1HB HIS 53 11.384 -1.079 -5.228 443 HD1 HIS 53 HD1 HIS 53 13.037 -2.375 -8.400 444 HD2 HIS 53 HD2 HIS 53 10.611 -3.689 -5.283 445 HE1 HIS 53 HE1 HIS 53 12.756 -4.850 -8.753 446 HE2 HIS 53 HE2 HIS 53 11.486 -5.650 -6.735 447 H LEU 54 H LEU 54 9.198 1.567 -7.489 448 HA LEU 54 HA LEU 54 7.014 -0.214 -6.641 449 1HB LEU 54 2HB LEU 54 7.380 2.691 -5.908 450 2HB LEU 54 1HB LEU 54 5.909 1.784 -5.628 451 HG LEU 54 HG LEU 54 8.591 1.178 -4.383 452 1HD1 LEU 54 1HD1 LEU 54 6.107 2.416 -3.212 453 2HD1 LEU 54 2HD1 LEU 54 7.626 3.249 -3.540 454 3HD1 LEU 54 3HD1 LEU 54 7.564 1.978 -2.319 455 1HD2 LEU 54 1HD2 LEU 54 7.222 -0.820 -4.699 456 2HD2 LEU 54 2HD2 LEU 54 5.870 -0.027 -3.891 457 3HD2 LEU 54 3HD2 LEU 54 7.342 -0.392 -2.992 458 H GLU 55 H GLU 55 5.181 -0.137 -7.843 459 HA GLU 55 HA GLU 55 4.996 1.966 -9.899 460 1HB GLU 55 2HB GLU 55 4.254 -0.948 -10.059 461 2HB GLU 55 1HB GLU 55 3.568 0.243 -11.153 462 1HG GLU 55 2HG GLU 55 5.912 0.867 -11.783 463 2HG GLU 55 1HG GLU 55 6.453 -0.535 -10.861 464 HA PRO 56 HA PRO 56 1.229 2.972 -7.842 465 1HB PRO 56 2HB PRO 56 0.169 4.668 -9.624 466 2HB PRO 56 1HB PRO 56 1.638 5.067 -8.725 467 1HG PRO 56 2HG PRO 56 1.346 4.073 -11.531 468 2HG PRO 56 1HG PRO 56 2.414 5.339 -10.898 469 1HD PRO 56 2HD PRO 56 3.219 2.764 -11.406 470 2HD PRO 56 1HD PRO 56 3.997 3.832 -10.223 471 H THR 57 H THR 57 -0.796 2.178 -7.677 472 HA THR 57 HA THR 57 -1.811 0.446 -9.746 473 HB THR 57 HB THR 57 -3.797 0.302 -8.115 474 HG1 THR 57 HG1 THR 57 -3.668 1.864 -6.659 475 1HG2 THR 57 1HG2 THR 57 -1.045 -0.530 -7.184 476 2HG2 THR 57 2HG2 THR 57 -2.092 -1.437 -8.274 477 3HG2 THR 57 3HG2 THR 57 -2.570 -1.190 -6.596 478 H ASP 58 H ASP 58 -4.253 0.700 -10.249 479 HA ASP 58 HA ASP 58 -4.622 3.135 -11.635 480 1HB ASP 58 2HB ASP 58 -5.645 1.099 -12.460 481 2HB ASP 58 1HB ASP 58 -6.570 0.915 -10.974 482 H LYS 59 H LYS 59 -5.670 1.981 -8.507 483 HA LYS 59 HA LYS 59 -7.163 4.483 -8.107 484 1HB LYS 59 2HB LYS 59 -7.788 1.746 -6.984 485 2HB LYS 59 1HB LYS 59 -8.668 3.226 -6.614 486 1HG LYS 59 2HG LYS 59 -9.409 3.426 -8.876 487 2HG LYS 59 1HG LYS 59 -8.392 2.075 -9.377 488 1HD LYS 59 2HD LYS 59 -9.702 0.573 -7.954 489 2HD LYS 59 1HD LYS 59 -10.722 1.929 -7.471 490 1HE LYS 59 2HE LYS 59 -11.760 0.571 -9.239 491 2HE LYS 59 1HE LYS 59 -11.465 2.230 -9.753 492 1HZ LYS 59 1HZ LYS 59 -10.875 0.562 -11.447 493 2HZ LYS 59 2HZ LYS 59 -9.693 -0.068 -10.404 494 3HZ LYS 59 3HZ LYS 59 -9.548 1.519 -10.990 495 H LYS 60 H LYS 60 -6.944 5.546 -6.200 496 HA LYS 60 HA LYS 60 -5.435 4.340 -4.023 497 1HB LYS 60 2HB LYS 60 -4.273 6.602 -3.754 498 2HB LYS 60 1HB LYS 60 -3.668 5.518 -4.990 499 1HG LYS 60 2HG LYS 60 -3.669 7.657 -5.944 500 2HG LYS 60 1HG LYS 60 -5.069 6.833 -6.630 501 1HD LYS 60 2HD LYS 60 -6.544 7.996 -5.106 502 2HD LYS 60 1HD LYS 60 -5.165 8.749 -4.301 503 1HE LYS 60 2HE LYS 60 -6.252 10.281 -5.873 504 2HE LYS 60 1HE LYS 60 -4.588 9.926 -6.333 505 1HZ LYS 60 1HZ LYS 60 -5.925 9.826 -8.284 506 2HZ LYS 60 2HZ LYS 60 -7.061 8.811 -7.541 507 3HZ LYS 60 3HZ LYS 60 -5.508 8.232 -7.887 508 H ILE 61 H ILE 61 -5.473 6.292 -2.186 509 HA ILE 61 HA ILE 61 -8.288 7.163 -2.087 510 HB ILE 61 HB ILE 61 -8.267 6.836 0.364 511 1HG1 ILE 61 2HG1 ILE 61 -5.674 5.353 -0.118 512 2HG1 ILE 61 1HG1 ILE 61 -5.801 6.927 0.666 513 1HG2 ILE 61 1HG2 ILE 61 -7.714 4.382 -1.287 514 2HG2 ILE 61 2HG2 ILE 61 -9.279 5.155 -1.028 515 3HG2 ILE 61 3HG2 ILE 61 -8.445 4.375 0.318 516 1HD1 ILE 61 1HD1 ILE 61 -5.537 5.176 2.304 517 2HD1 ILE 61 2HD1 ILE 61 -6.939 4.321 1.657 518 3HD1 ILE 61 3HD1 ILE 61 -7.145 5.886 2.444 519 H ASP 62 H ASP 62 -8.477 8.833 -0.132 520 HA ASP 62 HA ASP 62 -6.257 10.746 -0.465 521 1HB ASP 62 2HB ASP 62 -8.297 11.324 -1.815 522 2HB ASP 62 1HB ASP 62 -9.193 11.464 -0.307 523 H ILE 63 H ILE 63 -5.285 10.904 1.448 524 HA ILE 63 HA ILE 63 -6.945 11.516 3.775 525 HB ILE 63 HB ILE 63 -5.273 10.181 5.194 526 1HG1 ILE 63 2HG1 ILE 63 -4.538 8.057 3.865 527 2HG1 ILE 63 1HG1 ILE 63 -4.659 9.107 2.460 528 1HG2 ILE 63 1HG2 ILE 63 -6.561 8.105 4.959 529 2HG2 ILE 63 2HG2 ILE 63 -7.258 8.729 3.464 530 3HG2 ILE 63 3HG2 ILE 63 -7.585 9.542 4.996 531 1HD1 ILE 63 1HD1 ILE 63 -3.016 10.615 3.445 532 2HD1 ILE 63 2HD1 ILE 63 -2.382 8.976 3.291 533 3HD1 ILE 63 3HD1 ILE 63 -2.912 9.575 4.863 534 H GLN 64 H GLN 64 -5.288 12.133 5.664 535 HA GLN 64 HA GLN 64 -3.403 14.061 4.495 536 1HB GLN 64 2HB GLN 64 -5.374 14.404 6.400 537 2HB GLN 64 1HB GLN 64 -3.927 14.224 7.379 538 1HG GLN 64 2HG GLN 64 -4.291 16.227 5.160 539 2HG GLN 64 1HG GLN 64 -4.451 16.562 6.883 540 1HE2 GLN 64 1HE2 GLN 64 -2.262 15.953 4.269 541 2HE2 GLN 64 2HE2 GLN 64 -0.802 16.355 5.118 542 H LYS 65 H LYS 65 -1.283 14.256 5.508 543 HA LYS 65 HA LYS 65 -0.018 11.798 5.922 544 1HB LYS 65 2HB LYS 65 1.260 13.703 5.167 545 2HB LYS 65 1HB LYS 65 0.884 14.594 6.635 546 1HG LYS 65 2HG LYS 65 2.172 13.016 7.954 547 2HG LYS 65 1HG LYS 65 2.510 12.062 6.511 548 1HD LYS 65 2HD LYS 65 3.355 14.929 6.920 549 2HD LYS 65 1HD LYS 65 4.391 13.527 7.189 550 1HE LYS 65 2HE LYS 65 3.660 12.956 4.716 551 2HE LYS 65 1HE LYS 65 3.388 14.698 4.646 552 1HZ LYS 65 1HZ LYS 65 5.628 14.134 3.943 553 2HZ LYS 65 2HZ LYS 65 5.931 13.370 5.424 554 3HZ LYS 65 3HZ LYS 65 5.672 15.049 5.366 555 HN2 GLY 66 H GLY 66 0.479 10.620 7.681 556 1HA GLY 66 2HA GLY 66 0.801 10.179 9.962 557 2HA GLY 66 1HA GLY 66 0.089 11.741 10.340 558 H ALA 67 H ALA 67 -1.417 9.460 8.175 559 HA ALA 67 HA ALA 67 -3.799 9.425 9.773 560 1HB ALA 67 1HB ALA 67 -3.119 7.868 7.279 561 2HB ALA 67 2HB ALA 67 -3.905 9.446 7.327 562 3HB ALA 67 3HB ALA 67 -4.723 8.033 7.994 563 H SER 68 H SER 68 -4.636 7.769 10.961 564 HA SER 68 HA SER 68 -2.757 5.779 11.891 565 1HB SER 68 2HB SER 68 -4.608 5.224 13.495 566 2HB SER 68 1HB SER 68 -4.097 6.912 13.553 567 HG SER 68 HG SER 68 -6.017 7.504 12.921 568 H ASP 69 H ASP 69 -3.675 3.510 12.280 569 HA ASP 69 HA ASP 69 -4.299 2.210 9.882 570 1HB ASP 69 2HB ASP 69 -3.381 1.092 11.915 571 2HB ASP 69 1HB ASP 69 -4.938 1.298 12.707 572 H GLU 70 H GLU 70 -6.305 3.557 12.392 573 HA GLU 70 HA GLU 70 -8.778 2.491 11.437 574 1HB GLU 70 2HB GLU 70 -7.973 3.459 13.810 575 2HB GLU 70 1HB GLU 70 -8.717 4.911 13.164 576 1HG GLU 70 2HG GLU 70 -10.263 2.386 13.032 577 2HG GLU 70 1HG GLU 70 -10.064 3.160 14.603 578 H GLU 71 H GLU 71 -7.064 5.572 11.132 579 HA GLU 71 HA GLU 71 -9.100 6.987 9.758 580 1HB GLU 71 2HB GLU 71 -6.974 7.907 10.872 581 2HB GLU 71 1HB GLU 71 -6.140 7.441 9.396 582 1HG GLU 71 2HG GLU 71 -6.653 9.739 9.215 583 2HG GLU 71 1HG GLU 71 -7.761 8.883 8.141 584 H VAL 72 H VAL 72 -6.270 5.175 8.584 585 HA VAL 72 HA VAL 72 -6.819 5.464 5.834 586 HB VAL 72 HB VAL 72 -5.425 3.173 7.250 587 1HG1 VAL 72 1HG1 VAL 72 -5.375 3.957 4.334 588 2HG1 VAL 72 2HG1 VAL 72 -6.161 2.530 5.009 589 3HG1 VAL 72 3HG1 VAL 72 -4.405 2.685 5.077 590 1HG2 VAL 72 1HG2 VAL 72 -4.338 5.298 7.673 591 2HG2 VAL 72 2HG2 VAL 72 -4.329 5.665 5.948 592 3HG2 VAL 72 3HG2 VAL 72 -3.359 4.330 6.572 593 H LYS 73 H LYS 73 -7.873 3.157 8.255 594 HA LYS 73 HA LYS 73 -9.277 1.364 6.638 595 1HB LYS 73 2HB LYS 73 -8.684 1.151 9.077 596 2HB LYS 73 1HB LYS 73 -10.023 2.228 9.428 597 1HG LYS 73 2HG LYS 73 -11.604 0.635 8.601 598 2HG LYS 73 1HG LYS 73 -10.311 -0.415 8.019 599 1HD LYS 73 2HD LYS 73 -10.953 0.268 10.889 600 2HD LYS 73 1HD LYS 73 -11.136 -1.301 10.099 601 1HE LYS 73 2HE LYS 73 -8.710 -1.403 9.760 602 2HE LYS 73 1HE LYS 73 -8.536 0.149 10.573 603 1HZ LYS 73 1HZ LYS 73 -9.449 -2.410 11.754 604 2HZ LYS 73 2HZ LYS 73 -9.563 -0.921 12.559 605 3HZ LYS 73 3HZ LYS 73 -8.046 -1.532 12.129 606 H LYS 74 H LYS 74 -10.350 4.356 8.236 607 HA LYS 74 HA LYS 74 -13.038 4.319 7.504 608 1HB LYS 74 2HB LYS 74 -11.199 6.709 7.726 609 2HB LYS 74 1HB LYS 74 -12.949 6.796 7.642 610 1HG LYS 74 2HG LYS 74 -13.086 5.548 9.756 611 2HG LYS 74 1HG LYS 74 -11.321 5.556 9.843 612 1HD LYS 74 2HD LYS 74 -11.407 8.049 9.736 613 2HD LYS 74 1HD LYS 74 -13.163 7.940 9.859 614 1HE LYS 74 2HE LYS 74 -11.169 6.947 11.893 615 2HE LYS 74 1HE LYS 74 -12.155 8.401 12.028 616 1HZ LYS 74 1HZ LYS 74 -13.094 5.588 12.007 617 2HZ LYS 74 2HZ LYS 74 -14.138 6.920 11.894 618 3HZ LYS 74 3HZ LYS 74 -13.192 6.699 13.285 619 H LYS 75 H LYS 75 -10.357 5.961 5.839 620 HA LYS 75 HA LYS 75 -11.959 6.753 3.649 621 1HB LYS 75 2HB LYS 75 -9.130 6.919 4.372 622 2HB LYS 75 1HB LYS 75 -9.424 6.823 2.639 623 1HG LYS 75 2HG LYS 75 -10.693 8.817 4.505 624 2HG LYS 75 1HG LYS 75 -9.322 9.135 3.439 625 1HD LYS 75 2HD LYS 75 -10.685 8.647 1.495 626 2HD LYS 75 1HD LYS 75 -12.053 8.232 2.527 627 1HE LYS 75 2HE LYS 75 -12.133 10.525 3.353 628 2HE LYS 75 1HE LYS 75 -10.737 10.941 2.360 629 1HZ LYS 75 1HZ LYS 75 -13.338 9.966 1.296 630 2HZ LYS 75 2HZ LYS 75 -12.005 10.492 0.387 631 3HZ LYS 75 3HZ LYS 75 -12.859 11.596 1.347 632 H LEU 76 H LEU 76 -9.882 3.931 4.119 633 HA LEU 76 HA LEU 76 -9.943 3.014 1.457 634 1HB LEU 76 2HB LEU 76 -8.462 2.176 3.328 635 2HB LEU 76 1HB LEU 76 -9.849 1.290 3.930 636 HG LEU 76 HG LEU 76 -9.942 0.042 1.789 637 1HD1 LEU 76 1HD1 LEU 76 -7.331 1.438 1.218 638 2HD1 LEU 76 2HD1 LEU 76 -8.854 1.720 0.374 639 3HD1 LEU 76 3HD1 LEU 76 -8.059 0.150 0.259 640 1HD2 LEU 76 1HD2 LEU 76 -8.807 -0.903 3.717 641 2HD2 LEU 76 2HD2 LEU 76 -7.317 -0.080 3.263 642 3HD2 LEU 76 3HD2 LEU 76 -7.973 -1.347 2.228 643 H GLU 77 H GLU 77 -12.072 2.458 4.212 644 HA GLU 77 HA GLU 77 -13.879 0.716 2.892 645 1HB GLU 77 2HB GLU 77 -13.502 1.585 5.468 646 2HB GLU 77 1HB GLU 77 -14.976 2.425 5.020 647 1HG GLU 77 2HG GLU 77 -14.526 -0.547 4.909 648 2HG GLU 77 1HG GLU 77 -15.453 0.322 6.130 649 H GLU 78 H GLU 78 -13.876 4.185 3.548 650 HA GLU 78 HA GLU 78 -16.354 4.882 2.509 651 1HB GLU 78 2HB GLU 78 -14.701 6.269 3.873 652 2HB GLU 78 1HB GLU 78 -13.879 6.603 2.360 653 1HG GLU 78 2HG GLU 78 -16.788 7.189 2.583 654 2HG GLU 78 1HG GLU 78 -15.628 8.270 3.352 655 H SER 79 H SER 79 -13.188 4.845 0.847 656 HA SER 79 HA SER 79 -14.343 5.575 -1.662 657 1HB SER 79 2HB SER 79 -11.604 4.482 -0.999 658 2HB SER 79 1HB SER 79 -12.076 5.228 -2.522 659 HG SER 79 HG SER 79 -12.687 7.097 -1.132 660 H ASN 80 H ASN 80 -14.330 2.703 0.028 661 HA ASN 80 HA ASN 80 -15.086 0.619 -0.480 662 1HB ASN 80 2HB ASN 80 -15.647 1.880 -3.168 663 2HB ASN 80 1HB ASN 80 -15.990 0.191 -2.827 664 1HD2 ASN 80 1HD2 ASN 80 -16.399 2.883 -0.584 665 2HD2 ASN 80 2HD2 ASN 80 -18.123 2.768 -0.487 666 H LEU 81 H LEU 81 -12.257 1.408 -0.832 667 HA LEU 81 HA LEU 81 -11.415 -0.358 -3.011 668 1HB LEU 81 2HB LEU 81 -10.168 1.870 -1.529 669 2HB LEU 81 1HB LEU 81 -9.090 0.565 -1.984 670 HG LEU 81 HG LEU 81 -8.993 2.280 -3.665 671 1HD1 LEU 81 1HD1 LEU 81 -10.581 -0.087 -4.636 672 2HD1 LEU 81 2HD1 LEU 81 -8.829 -0.005 -4.457 673 3HD1 LEU 81 3HD1 LEU 81 -9.643 1.005 -5.653 674 1HD2 LEU 81 1HD2 LEU 81 -10.945 2.961 -4.960 675 2HD2 LEU 81 2HD2 LEU 81 -11.149 3.345 -3.251 676 3HD2 LEU 81 3HD2 LEU 81 -11.977 1.952 -3.945 677 H THR 82 H THR 82 -12.245 -0.765 0.094 678 HA THR 82 HA THR 82 -10.136 -2.066 1.357 679 HB THR 82 HB THR 82 -13.043 -2.814 1.677 680 HG1 THR 82 HG1 THR 82 -13.272 -0.767 2.178 681 1HG2 THR 82 1HG2 THR 82 -11.415 -4.219 2.875 682 2HG2 THR 82 2HG2 THR 82 -12.406 -3.272 3.984 683 3HG2 THR 82 3HG2 THR 82 -10.749 -2.776 3.642 684 H GLU 83 H GLU 83 -12.682 -3.407 -0.724 685 HA GLU 83 HA GLU 83 -12.029 -6.118 -0.383 686 1HB GLU 83 2HB GLU 83 -14.074 -4.871 -1.555 687 2HB GLU 83 1HB GLU 83 -13.110 -5.168 -2.996 688 1HG GLU 83 2HG GLU 83 -14.580 -6.972 -2.868 689 2HG GLU 83 1HG GLU 83 -13.047 -7.600 -2.263 690 H TYR 84 H TYR 84 -11.128 -3.807 -2.914 691 HA TYR 84 HA TYR 84 -9.553 -5.623 -4.410 692 1HB TYR 84 2HB TYR 84 -10.512 -3.684 -5.478 693 2HB TYR 84 1HB TYR 84 -9.666 -2.603 -4.378 694 HD1 TYR 84 HD1 TYR 84 -8.955 -5.244 -6.932 695 HD2 TYR 84 HD2 TYR 84 -7.694 -1.628 -5.073 696 HE1 TYR 84 HE1 TYR 84 -7.090 -5.081 -8.526 697 HE2 TYR 84 HE2 TYR 84 -5.826 -1.456 -6.663 698 HH TYR 84 HH TYR 84 -5.619 -3.361 -9.475 699 H MET 85 H MET 85 -8.867 -3.549 -1.695 700 HA MET 85 HA MET 85 -6.018 -3.603 -1.998 701 1HB MET 85 2HB MET 85 -7.618 -1.987 -0.618 702 2HB MET 85 1HB MET 85 -7.308 -3.151 0.659 703 1HG MET 85 2HG MET 85 -5.190 -1.647 -0.859 704 2HG MET 85 1HG MET 85 -5.809 -1.202 0.727 705 1HE MET 85 1HE MET 85 -3.322 -1.166 1.715 706 2HE MET 85 2HE MET 85 -2.743 -1.554 0.094 707 3HE MET 85 3HE MET 85 -2.179 -2.490 1.477 708 H LYS 86 H LYS 86 -8.384 -5.376 -0.051 709 HA LYS 86 HA LYS 86 -6.470 -6.948 1.349 710 1HB LYS 86 2HB LYS 86 -8.757 -6.516 2.181 711 2HB LYS 86 1HB LYS 86 -9.407 -7.478 0.862 712 1HG LYS 86 2HG LYS 86 -8.123 -9.429 1.762 713 2HG LYS 86 1HG LYS 86 -7.713 -8.434 3.157 714 1HD LYS 86 2HD LYS 86 -10.532 -9.055 2.276 715 2HD LYS 86 1HD LYS 86 -9.661 -9.942 3.526 716 1HE LYS 86 2HE LYS 86 -10.192 -6.975 3.612 717 2HE LYS 86 1HE LYS 86 -11.219 -8.182 4.384 718 1HZ LYS 86 1HZ LYS 86 -9.638 -7.203 5.939 719 2HZ LYS 86 2HZ LYS 86 -8.337 -7.740 4.990 720 3HZ LYS 86 3HZ LYS 86 -9.350 -8.861 5.753 721 H GLU 87 H GLU 87 -8.036 -7.234 -1.730 722 HA GLU 87 HA GLU 87 -7.852 -9.974 -2.188 723 1HB GLU 87 2HB GLU 87 -9.099 -8.412 -3.616 724 2HB GLU 87 1HB GLU 87 -7.586 -7.726 -4.188 725 1HG GLU 87 2HG GLU 87 -6.986 -9.867 -5.188 726 2HG GLU 87 1HG GLU 87 -8.490 -10.570 -4.595 727 H LYS 88 H LYS 88 -6.197 -11.279 -2.355 728 HA LYS 88 HA LYS 88 -3.536 -10.155 -2.887 729 1HB LYS 88 2HB LYS 88 -2.582 -11.969 -1.665 730 2HB LYS 88 1HB LYS 88 -3.902 -11.344 -0.691 731 1HG LYS 88 2HG LYS 88 -4.138 -13.762 -2.469 732 2HG LYS 88 1HG LYS 88 -3.715 -13.836 -0.759 733 1HD LYS 88 2HD LYS 88 -5.847 -12.782 -0.186 734 2HD LYS 88 1HD LYS 88 -6.261 -12.682 -1.898 735 1HE LYS 88 2HE LYS 88 -7.364 -14.580 -0.832 736 2HE LYS 88 1HE LYS 88 -6.215 -15.117 -2.058 737 1HZ LYS 88 1HZ LYS 88 -5.570 -14.994 0.838 738 2HZ LYS 88 2HZ LYS 88 -4.675 -15.750 -0.396 739 3HZ LYS 88 3HZ LYS 88 -6.169 -16.386 0.075 740 H ILE 89 H ILE 89 -2.045 -11.506 -4.132 741 HA ILE 89 HA ILE 89 -3.444 -12.808 -6.345 742 HB ILE 89 HB ILE 89 -0.548 -11.965 -6.152 743 1HG1 ILE 89 2HG1 ILE 89 -2.085 -10.044 -6.130 744 2HG1 ILE 89 1HG1 ILE 89 -1.173 -10.115 -7.633 745 1HG2 ILE 89 1HG2 ILE 89 -2.152 -12.893 -8.526 746 2HG2 ILE 89 2HG2 ILE 89 -0.892 -13.814 -7.701 747 3HG2 ILE 89 3HG2 ILE 89 -0.482 -12.330 -8.566 748 1HD1 ILE 89 1HD1 ILE 89 -3.487 -9.517 -8.039 749 2HD1 ILE 89 2HD1 ILE 89 -4.027 -11.001 -7.252 750 3HD1 ILE 89 3HD1 ILE 89 -3.112 -11.082 -8.758 751 H LYS 90 H LYS 90 -3.034 -14.888 -6.950 752 HA LYS 90 HA LYS 90 -2.092 -16.671 -4.903 753 1HB LYS 90 2HB LYS 90 -3.008 -17.233 -7.732 754 2HB LYS 90 1HB LYS 90 -2.724 -18.448 -6.494 755 1HG LYS 90 2HG LYS 90 -4.553 -17.647 -5.185 756 2HG LYS 90 1HG LYS 90 -4.759 -16.246 -6.237 757 1HD LYS 90 2HD LYS 90 -5.117 -19.119 -7.084 758 2HD LYS 90 1HD LYS 90 -6.428 -18.013 -6.671 759 1HE LYS 90 2HE LYS 90 -5.721 -16.525 -8.493 760 2HE LYS 90 1HE LYS 90 -4.441 -17.660 -8.914 761 1HZ LYS 90 1HZ LYS 90 -7.350 -18.269 -8.971 762 2HZ LYS 90 2HZ LYS 90 -6.096 -19.312 -9.457 763 3HZ LYS 90 3HZ LYS 90 -6.407 -17.886 -10.326 764 H ILE 91 H ILE 91 -0.112 -17.519 -4.724 765 HA ILE 91 HA ILE 91 1.938 -16.759 -6.588 766 HB ILE 91 HB ILE 91 2.104 -18.586 -4.184 767 1HG1 ILE 91 2HG1 ILE 91 2.825 -15.662 -4.503 768 2HG1 ILE 91 1HG1 ILE 91 1.446 -16.291 -3.604 769 1HG2 ILE 91 1HG2 ILE 91 4.295 -17.287 -5.801 770 2HG2 ILE 91 2HG2 ILE 91 3.902 -19.006 -5.776 771 3HG2 ILE 91 3HG2 ILE 91 4.525 -18.222 -4.323 772 1HD1 ILE 91 1HD1 ILE 91 4.344 -16.786 -2.951 773 2HD1 ILE 91 2HD1 ILE 91 2.957 -17.377 -2.034 774 3HD1 ILE 91 3HD1 ILE 91 3.277 -15.644 -2.132 775 H ARG 92 H ARG 92 2.390 -17.815 -8.371 776 HA ARG 92 HA ARG 92 1.627 -20.623 -8.649 777 1HB ARG 92 2HB ARG 92 0.943 -19.003 -10.405 778 2HB ARG 92 1HB ARG 92 2.637 -18.664 -10.727 779 1HG ARG 92 2HG ARG 92 1.763 -20.175 -12.394 780 2HG ARG 92 1HG ARG 92 2.963 -21.005 -11.400 781 1HD ARG 92 2HD ARG 92 1.295 -22.185 -10.206 782 2HD ARG 92 1HD ARG 92 0.009 -21.169 -10.857 783 HE ARG 92 HE ARG 92 1.028 -22.272 -13.084 784 1HH1 ARG 92 1HH1 ARG 92 0.121 -23.712 -10.028 785 2HH1 ARG 92 2HH1 ARG 92 -0.396 -25.214 -10.733 786 1HH2 ARG 92 1HH2 ARG 92 0.300 -24.217 -14.032 787 2HH2 ARG 92 2HH2 ARG 92 -0.306 -25.496 -13.021 788 H MET 93 H MET 93 3.189 -21.749 -7.588 789 HA MET 93 HA MET 93 5.920 -21.130 -7.531 790 1HB MET 93 2HB MET 93 4.562 -23.810 -7.164 791 2HB MET 93 1HB MET 93 6.239 -23.473 -6.764 792 1HG MET 93 2HG MET 93 5.070 -23.375 -4.740 793 2HG MET 93 1HG MET 93 5.380 -21.703 -5.187 794 1HE MET 93 1HE MET 93 1.931 -21.384 -3.420 795 2HE MET 93 2HE MET 93 3.559 -20.725 -3.563 796 3HE MET 93 3HE MET 93 3.320 -22.370 -2.964 797 HA PRO 94 HA PRO 94 7.094 -22.093 -11.714 798 1HB PRO 94 2HB PRO 94 9.793 -22.184 -10.478 799 2HB PRO 94 1HB PRO 94 9.215 -21.232 -11.851 800 1HG PRO 94 2HG PRO 94 9.658 -20.081 -9.490 801 2HG PRO 94 1HG PRO 94 8.275 -19.604 -10.495 802 1HD PRO 94 2HD PRO 94 8.343 -21.357 -8.070 803 2HD PRO 94 1HD PRO 94 7.149 -20.128 -8.538 804 H THR 95 H THR 95 8.399 -23.803 -8.936 805 HA THR 95 HA THR 95 8.652 -26.010 -8.483 806 HB THR 95 HB THR 95 7.460 -26.611 -11.191 807 HG1 THR 95 HG1 THR 95 6.042 -25.271 -9.981 808 1HG2 THR 95 1HG2 THR 95 6.775 -28.706 -10.117 809 2HG2 THR 95 2HG2 THR 95 7.565 -28.202 -8.622 810 3HG2 THR 95 3HG2 THR 95 8.527 -28.510 -10.069 811 H LEU 96 H LEU 96 10.537 -27.040 -8.479 812 HA LEU 96 HA LEU 96 12.416 -26.763 -10.629 813 1HB LEU 96 2HB LEU 96 12.885 -26.996 -8.095 814 2HB LEU 96 1HB LEU 96 12.636 -28.711 -8.343 815 HG LEU 96 HG LEU 96 15.028 -28.009 -8.309 816 1HD1 LEU 96 1HD1 LEU 96 14.395 -30.079 -9.405 817 2HD1 LEU 96 2HD1 LEU 96 15.721 -29.295 -10.262 818 3HD1 LEU 96 3HD1 LEU 96 14.081 -29.206 -10.905 819 1HD2 LEU 96 1HD2 LEU 96 14.331 -26.652 -10.908 820 2HD2 LEU 96 2HD2 LEU 96 15.954 -26.852 -10.245 821 3HD2 LEU 96 3HD2 LEU 96 14.775 -25.848 -9.402 Start of MODEL 15 1 1H MET 1 1H MET 1 0.108 17.314 -11.247 2 2H MET 1 2H MET 1 -1.433 17.023 -10.601 3 3H MET 1 3H MET 1 -1.256 17.377 -12.249 4 HA MET 1 HA MET 1 -1.655 15.024 -11.881 5 1HB MET 1 2HB MET 1 1.110 15.755 -12.878 6 2HB MET 1 1HB MET 1 0.373 14.174 -13.099 7 1HG MET 1 2HG MET 1 -1.414 15.170 -14.407 8 2HG MET 1 1HG MET 1 -0.718 16.770 -14.159 9 1HE MET 1 1HE MET 1 -0.209 13.236 -15.860 10 2HE MET 1 2HE MET 1 1.178 13.402 -14.786 11 3HE MET 1 3HE MET 1 1.409 13.426 -16.536 12 HA PRO 2 HA PRO 2 0.278 13.876 -7.971 13 1HB PRO 2 2HB PRO 2 -1.312 11.716 -7.521 14 2HB PRO 2 1HB PRO 2 -1.812 13.372 -7.166 15 1HG PRO 2 2HG PRO 2 -2.500 11.646 -9.503 16 2HG PRO 2 1HG PRO 2 -3.529 12.770 -8.596 17 1HD PRO 2 2HD PRO 2 -2.414 13.370 -11.014 18 2HD PRO 2 1HD PRO 2 -2.798 14.592 -9.786 19 H ALA 3 H ALA 3 2.263 13.145 -8.559 20 HA ALA 3 HA ALA 3 2.429 10.339 -9.449 21 1HB ALA 3 1HB ALA 3 4.467 10.885 -10.682 22 2HB ALA 3 2HB ALA 3 4.303 12.579 -10.223 23 3HB ALA 3 3HB ALA 3 3.104 11.829 -11.277 24 H ILE 4 H ILE 4 3.080 9.204 -7.751 25 HA ILE 4 HA ILE 4 3.940 8.650 -5.730 26 HB ILE 4 HB ILE 4 6.139 10.567 -6.522 27 1HG1 ILE 4 2HG1 ILE 4 5.903 8.709 -8.090 28 2HG1 ILE 4 1HG1 ILE 4 7.376 8.524 -7.144 29 1HG2 ILE 4 1HG2 ILE 4 7.511 9.419 -4.848 30 2HG2 ILE 4 2HG2 ILE 4 6.110 8.468 -4.358 31 3HG2 ILE 4 3HG2 ILE 4 6.118 10.215 -4.113 32 1HD1 ILE 4 1HD1 ILE 4 6.294 6.861 -5.750 33 2HD1 ILE 4 2HD1 ILE 4 6.193 6.407 -7.453 34 3HD1 ILE 4 3HD1 ILE 4 4.783 7.081 -6.634 35 H GLU 5 H GLU 5 2.285 9.488 -4.515 36 HA GLU 5 HA GLU 5 2.757 12.023 -3.185 37 1HB GLU 5 2HB GLU 5 1.540 12.543 -5.302 38 2HB GLU 5 1HB GLU 5 0.240 11.484 -4.778 39 1HG GLU 5 2HG GLU 5 -0.302 12.929 -2.963 40 2HG GLU 5 1HG GLU 5 1.130 13.917 -3.255 41 H VAL 6 H VAL 6 1.769 12.136 -1.202 42 HA VAL 6 HA VAL 6 1.135 9.732 0.083 43 HB VAL 6 HB VAL 6 0.363 11.144 1.980 44 1HG1 VAL 6 1HG1 VAL 6 2.704 10.564 1.776 45 2HG1 VAL 6 2HG1 VAL 6 2.549 12.207 2.394 46 3HG1 VAL 6 3HG1 VAL 6 2.978 11.937 0.705 47 1HG2 VAL 6 1HG2 VAL 6 0.615 13.586 1.824 48 2HG2 VAL 6 2HG2 VAL 6 -0.632 12.985 0.730 49 3HG2 VAL 6 3HG2 VAL 6 0.954 13.432 0.101 50 HN2 GLY 7 H GLY 7 -0.736 8.765 0.645 51 1HA GLY 7 2HA GLY 7 -3.089 8.604 0.852 52 2HA GLY 7 1HA GLY 7 -3.255 9.991 -0.214 53 H ARG 8 H ARG 8 -1.184 8.676 -2.057 54 HA ARG 8 HA ARG 8 -3.179 7.154 -3.520 55 1HB ARG 8 2HB ARG 8 -1.811 8.842 -4.713 56 2HB ARG 8 1HB ARG 8 -0.368 7.892 -4.370 57 1HG ARG 8 2HG ARG 8 -1.187 6.069 -5.690 58 2HG ARG 8 1HG ARG 8 -2.740 6.869 -5.912 59 1HD ARG 8 2HD ARG 8 -1.649 8.642 -7.194 60 2HD ARG 8 1HD ARG 8 -0.084 7.858 -6.954 61 HE ARG 8 HE ARG 8 -1.731 5.941 -8.060 62 1HH1 ARG 8 1HH1 ARG 8 -0.594 9.113 -9.098 63 2HH1 ARG 8 2HH1 ARG 8 -0.628 8.689 -10.783 64 1HH2 ARG 8 1HH2 ARG 8 -1.753 5.420 -10.250 65 2HH2 ARG 8 2HH2 ARG 8 -1.262 6.591 -11.434 66 H ILE 9 H ILE 9 -3.111 5.037 -3.957 67 HA ILE 9 HA ILE 9 -1.566 3.362 -2.217 68 HB ILE 9 HB ILE 9 -3.334 2.535 -4.529 69 1HG1 ILE 9 2HG1 ILE 9 -4.105 2.872 -1.620 70 2HG1 ILE 9 1HG1 ILE 9 -4.494 4.029 -2.889 71 1HG2 ILE 9 1HG2 ILE 9 -2.489 1.037 -2.050 72 2HG2 ILE 9 2HG2 ILE 9 -1.871 0.767 -3.679 73 3HG2 ILE 9 3HG2 ILE 9 -3.564 0.431 -3.311 74 1HD1 ILE 9 1HD1 ILE 9 -5.439 1.175 -2.726 75 2HD1 ILE 9 2HD1 ILE 9 -5.806 2.302 -4.033 76 3HD1 ILE 9 3HD1 ILE 9 -6.394 2.620 -2.401 77 H CYS 10 H CYS 10 0.077 1.945 -2.777 78 HA CYS 10 HA CYS 10 0.997 1.921 -5.559 79 1HB CYS 10 2HB CYS 10 2.766 2.405 -3.150 80 2HB CYS 10 1HB CYS 10 3.350 2.107 -4.786 81 HG CYS 10 HG CYS 10 1.264 4.721 -4.143 82 H VAL 11 H VAL 11 2.370 0.043 -6.039 83 HA VAL 11 HA VAL 11 1.937 -2.154 -4.134 84 HB VAL 11 HB VAL 11 0.135 -2.170 -5.839 85 1HG1 VAL 11 1HG1 VAL 11 2.378 -2.660 -7.790 86 2HG1 VAL 11 2HG1 VAL 11 1.342 -1.235 -7.723 87 3HG1 VAL 11 3HG1 VAL 11 0.657 -2.804 -8.148 88 1HG2 VAL 11 1HG2 VAL 11 0.809 -4.239 -4.763 89 2HG2 VAL 11 2HG2 VAL 11 2.040 -4.494 -6.001 90 3HG2 VAL 11 3HG2 VAL 11 0.331 -4.528 -6.436 91 H LYS 12 H LYS 12 3.388 -3.899 -4.317 92 HA LYS 12 HA LYS 12 6.024 -3.240 -5.090 93 1HB LYS 12 2HB LYS 12 4.669 -5.747 -4.183 94 2HB LYS 12 1HB LYS 12 6.293 -5.848 -4.835 95 1HG LYS 12 2HG LYS 12 6.536 -5.707 -2.504 96 2HG LYS 12 1HG LYS 12 6.952 -4.109 -3.122 97 1HD LYS 12 2HD LYS 12 4.731 -3.294 -2.548 98 2HD LYS 12 1HD LYS 12 4.277 -4.902 -1.976 99 1HE LYS 12 2HE LYS 12 6.215 -4.713 -0.354 100 2HE LYS 12 1HE LYS 12 6.295 -3.007 -0.797 101 1HZ LYS 12 1HZ LYS 12 3.985 -2.771 -0.086 102 2HZ LYS 12 2HZ LYS 12 4.965 -3.311 1.181 103 3HZ LYS 12 3HZ LYS 12 3.949 -4.401 0.373 104 H VAL 13 H VAL 13 6.993 -3.341 -6.979 105 HA VAL 13 HA VAL 13 5.563 -4.101 -9.317 106 HB VAL 13 HB VAL 13 8.522 -3.531 -9.087 107 1HG1 VAL 13 1HG1 VAL 13 8.330 -2.854 -11.435 108 2HG1 VAL 13 2HG1 VAL 13 6.625 -3.306 -11.421 109 3HG1 VAL 13 3HG1 VAL 13 7.865 -4.541 -11.205 110 1HG2 VAL 13 1HG2 VAL 13 7.964 -1.207 -9.632 111 2HG2 VAL 13 2HG2 VAL 13 7.264 -1.706 -8.092 112 3HG2 VAL 13 3HG2 VAL 13 6.247 -1.602 -9.529 113 H LYS 14 H LYS 14 8.090 -5.585 -7.372 114 HA LYS 14 HA LYS 14 8.279 -7.842 -9.189 115 1HB LYS 14 2HB LYS 14 10.310 -6.930 -8.047 116 2HB LYS 14 1HB LYS 14 9.638 -7.465 -6.511 117 1HG LYS 14 2HG LYS 14 9.708 -9.771 -7.248 118 2HG LYS 14 1HG LYS 14 10.292 -9.266 -8.836 119 1HD LYS 14 2HD LYS 14 12.134 -10.077 -7.478 120 2HD LYS 14 1HD LYS 14 12.314 -8.348 -7.779 121 1HE LYS 14 2HE LYS 14 11.515 -7.826 -5.574 122 2HE LYS 14 1HE LYS 14 11.124 -9.518 -5.270 123 1HZ LYS 14 1HZ LYS 14 13.196 -8.896 -4.207 124 2HZ LYS 14 2HZ LYS 14 13.854 -8.423 -5.698 125 3HZ LYS 14 3HZ LYS 14 13.479 -10.052 -5.418 126 HN2 GLY 15 H GLY 15 6.512 -9.030 -9.144 127 1HA GLY 15 2HA GLY 15 5.804 -10.912 -7.372 128 2HA GLY 15 1HA GLY 15 5.033 -9.482 -6.689 129 H ARG 16 H ARG 16 4.602 -12.042 -8.754 130 HA ARG 16 HA ARG 16 3.341 -10.833 -10.965 131 1HB ARG 16 2HB ARG 16 3.293 -13.636 -9.888 132 2HB ARG 16 1HB ARG 16 2.435 -13.172 -11.354 133 1HG ARG 16 2HG ARG 16 4.575 -12.379 -12.302 134 2HG ARG 16 1HG ARG 16 5.395 -12.993 -10.863 135 1HD ARG 16 2HD ARG 16 4.896 -15.216 -11.389 136 2HD ARG 16 1HD ARG 16 3.639 -14.753 -12.536 137 HE ARG 16 HE ARG 16 6.474 -14.150 -13.061 138 1HH1 ARG 16 1HH1 ARG 16 3.445 -15.641 -13.949 139 2HH1 ARG 16 2HH1 ARG 16 3.927 -15.979 -15.584 140 1HH2 ARG 16 1HH2 ARG 16 7.148 -14.610 -15.204 141 2HH2 ARG 16 2HH2 ARG 16 6.038 -15.365 -16.308 142 H GLU 17 H GLU 17 2.040 -12.138 -7.951 143 HA GLU 17 HA GLU 17 -0.683 -11.636 -8.789 144 1HB GLU 17 2HB GLU 17 0.186 -12.164 -5.957 145 2HB GLU 17 1HB GLU 17 -1.353 -12.537 -6.718 146 1HG GLU 17 2HG GLU 17 -0.489 -14.614 -6.704 147 2HG GLU 17 1HG GLU 17 0.222 -14.065 -8.222 148 H ALA 18 H ALA 18 1.841 -9.785 -7.620 149 HA ALA 18 HA ALA 18 2.084 -7.801 -6.538 150 1HB ALA 18 1HB ALA 18 0.850 -7.006 -8.492 151 2HB ALA 18 2HB ALA 18 0.426 -6.072 -7.056 152 3HB ALA 18 3HB ALA 18 -0.678 -7.307 -7.662 153 HN2 GLY 19 H GLY 19 1.375 -9.866 -4.917 154 1HA GLY 19 2HA GLY 19 -0.997 -9.325 -3.387 155 2HA GLY 19 1HA GLY 19 0.175 -10.593 -3.090 156 H SER 20 H SER 20 1.129 -7.235 -3.320 157 HA SER 20 HA SER 20 0.902 -6.871 -0.453 158 1HB SER 20 2HB SER 20 3.147 -7.899 -0.808 159 2HB SER 20 1HB SER 20 3.582 -6.524 -1.821 160 HG SER 20 HG SER 20 3.139 -6.649 0.952 161 H LYS 21 H LYS 21 -0.542 -5.303 -0.835 162 HA LYS 21 HA LYS 21 0.279 -2.991 -2.441 163 1HB LYS 21 2HB LYS 21 -2.415 -3.967 -1.491 164 2HB LYS 21 1HB LYS 21 -2.180 -2.360 -2.166 165 1HG LYS 21 2HG LYS 21 -2.028 -3.121 -4.270 166 2HG LYS 21 1HG LYS 21 -1.099 -4.544 -3.797 167 1HD LYS 21 2HD LYS 21 -4.052 -4.261 -3.286 168 2HD LYS 21 1HD LYS 21 -3.393 -4.998 -4.747 169 1HE LYS 21 2HE LYS 21 -2.177 -6.622 -3.335 170 2HE LYS 21 1HE LYS 21 -2.932 -5.913 -1.909 171 1HZ LYS 21 1HZ LYS 21 -4.073 -7.919 -2.680 172 2HZ LYS 21 2HZ LYS 21 -4.399 -7.173 -4.158 173 3HZ LYS 21 3HZ LYS 21 -5.085 -6.563 -2.740 174 H CYS 22 H CYS 22 0.350 -0.946 -1.550 175 HA CYS 22 HA CYS 22 -0.307 -0.596 1.262 176 1HB CYS 22 2HB CYS 22 2.500 -0.152 0.216 177 2HB CYS 22 1HB CYS 22 1.930 0.260 1.827 178 HG CYS 22 HG CYS 22 1.152 -2.776 1.710 179 H VAL 23 H VAL 23 -0.357 1.627 1.889 180 HA VAL 23 HA VAL 23 -0.666 3.434 -0.413 181 HB VAL 23 HB VAL 23 -1.711 3.768 2.410 182 1HG1 VAL 23 1HG1 VAL 23 -2.315 5.313 -0.107 183 2HG1 VAL 23 2HG1 VAL 23 -1.372 5.890 1.267 184 3HG1 VAL 23 3HG1 VAL 23 -3.092 5.549 1.461 185 1HG2 VAL 23 1HG2 VAL 23 -2.780 1.884 1.304 186 2HG2 VAL 23 2HG2 VAL 23 -3.161 2.897 -0.087 187 3HG2 VAL 23 3HG2 VAL 23 -3.910 3.227 1.476 188 H ILE 24 H ILE 24 0.535 5.315 -0.558 189 HA ILE 24 HA ILE 24 2.813 5.638 1.141 190 HB ILE 24 HB ILE 24 1.615 7.642 -0.782 191 1HG1 ILE 24 2HG1 ILE 24 3.830 5.621 -1.190 192 2HG1 ILE 24 1HG1 ILE 24 2.228 5.555 -1.917 193 1HG2 ILE 24 1HG2 ILE 24 3.845 8.669 -0.744 194 2HG2 ILE 24 2HG2 ILE 24 4.356 7.505 0.477 195 3HG2 ILE 24 3HG2 ILE 24 3.091 8.677 0.849 196 1HD1 ILE 24 1HD1 ILE 24 4.320 7.656 -2.417 197 2HD1 ILE 24 2HD1 ILE 24 2.702 7.637 -3.118 198 3HD1 ILE 24 3HD1 ILE 24 3.851 6.357 -3.514 199 H VAL 25 H VAL 25 2.288 5.964 3.238 200 HA VAL 25 HA VAL 25 0.081 7.722 3.906 201 HB VAL 25 HB VAL 25 0.423 6.993 6.222 202 1HG1 VAL 25 1HG1 VAL 25 -0.966 5.617 4.776 203 2HG1 VAL 25 2HG1 VAL 25 -0.074 4.604 5.912 204 3HG1 VAL 25 3HG1 VAL 25 0.453 4.722 4.234 205 1HG2 VAL 25 1HG2 VAL 25 2.841 6.804 6.250 206 2HG2 VAL 25 2HG2 VAL 25 2.771 5.454 5.118 207 3HG2 VAL 25 3HG2 VAL 25 2.107 5.276 6.741 208 H ASP 26 H ASP 26 3.542 7.776 3.882 209 HA ASP 26 HA ASP 26 3.610 10.567 4.483 210 1HB ASP 26 2HB ASP 26 3.380 9.722 6.764 211 2HB ASP 26 1HB ASP 26 4.734 8.625 6.516 212 H ILE 27 H ILE 27 5.698 11.480 4.151 213 HA ILE 27 HA ILE 27 7.453 9.728 2.573 214 HB ILE 27 HB ILE 27 7.312 12.752 2.560 215 1HG1 ILE 27 2HG1 ILE 27 6.278 10.747 0.540 216 2HG1 ILE 27 1HG1 ILE 27 5.277 11.688 1.636 217 1HG2 ILE 27 1HG2 ILE 27 8.716 12.588 0.563 218 2HG2 ILE 27 2HG2 ILE 27 8.789 10.837 0.758 219 3HG2 ILE 27 3HG2 ILE 27 9.516 11.891 1.971 220 1HD1 ILE 27 1HD1 ILE 27 7.023 12.788 -0.550 221 2HD1 ILE 27 2HD1 ILE 27 6.038 13.744 0.560 222 3HD1 ILE 27 3HD1 ILE 27 5.266 12.646 -0.585 223 H ILE 28 H ILE 28 9.260 9.094 3.517 224 HA ILE 28 HA ILE 28 10.103 10.259 6.026 225 HB ILE 28 HB ILE 28 11.319 7.987 4.442 226 1HG1 ILE 28 2HG1 ILE 28 9.012 7.505 5.132 227 2HG1 ILE 28 1HG1 ILE 28 10.160 6.516 6.030 228 1HG2 ILE 28 1HG2 ILE 28 12.917 8.974 5.980 229 2HG2 ILE 28 2HG2 ILE 28 12.418 7.381 6.550 230 3HG2 ILE 28 3HG2 ILE 28 11.759 8.834 7.303 231 1HD1 ILE 28 1HD1 ILE 28 9.940 7.965 7.953 232 2HD1 ILE 28 2HD1 ILE 28 8.361 7.371 7.439 233 3HD1 ILE 28 3HD1 ILE 28 8.850 9.021 7.055 234 H ASP 29 H ASP 29 11.681 9.525 2.944 235 HA ASP 29 HA ASP 29 13.661 11.643 3.487 236 1HB ASP 29 2HB ASP 29 14.526 9.274 3.627 237 2HB ASP 29 1HB ASP 29 14.100 9.066 1.939 238 H ASP 30 H ASP 30 14.848 11.632 0.998 239 HA ASP 30 HA ASP 30 12.764 12.798 -0.675 240 1HB ASP 30 2HB ASP 30 14.856 14.038 -0.360 241 2HB ASP 30 1HB ASP 30 15.774 12.678 -0.994 242 H ASN 31 H ASN 31 14.775 10.019 -0.404 243 HA ASN 31 HA ASN 31 13.950 9.052 -3.056 244 1HB ASN 31 2HB ASN 31 16.394 9.123 -2.517 245 2HB ASN 31 1HB ASN 31 16.106 7.980 -1.215 246 1HD2 ASN 31 1HD2 ASN 31 16.287 8.439 -4.647 247 2HD2 ASN 31 2HD2 ASN 31 16.335 6.766 -5.072 248 H PHE 32 H PHE 32 13.555 8.573 0.337 249 HA PHE 32 HA PHE 32 12.272 5.960 -0.109 250 1HB PHE 32 2HB PHE 32 13.687 7.054 2.324 251 2HB PHE 32 1HB PHE 32 12.730 5.577 2.343 252 HD1 PHE 32 HD2 PHE 32 13.522 3.573 1.211 253 HD2 PHE 32 HD1 PHE 32 15.834 7.151 1.228 254 HE1 PHE 32 HE2 PHE 32 15.490 2.300 0.466 255 HE2 PHE 32 HE1 PHE 32 17.805 5.881 0.480 256 HZ PHE 32 HZ PHE 32 17.636 3.454 0.095 257 H VAL 33 H VAL 33 10.221 5.647 0.521 258 HA VAL 33 HA VAL 33 8.915 7.781 2.086 259 HB VAL 33 HB VAL 33 6.790 7.217 0.918 260 1HG1 VAL 33 1HG1 VAL 33 9.038 8.123 -0.874 261 2HG1 VAL 33 2HG1 VAL 33 8.082 9.144 0.201 262 3HG1 VAL 33 3HG1 VAL 33 7.320 8.369 -1.187 263 1HG2 VAL 33 1HG2 VAL 33 7.357 4.954 0.199 264 2HG2 VAL 33 2HG2 VAL 33 8.574 5.601 -0.901 265 3HG2 VAL 33 3HG2 VAL 33 6.867 5.945 -1.175 266 H LEU 34 H LEU 34 6.810 6.920 3.117 267 HA LEU 34 HA LEU 34 7.392 4.266 4.249 268 1HB LEU 34 2HB LEU 34 7.315 6.392 5.722 269 2HB LEU 34 1HB LEU 34 5.582 6.332 5.485 270 HG LEU 34 HG LEU 34 7.178 4.078 6.710 271 1HD1 LEU 34 1HD1 LEU 34 7.368 6.014 8.136 272 2HD1 LEU 34 2HD1 LEU 34 6.250 4.856 8.859 273 3HD1 LEU 34 3HD1 LEU 34 5.630 6.291 8.042 274 1HD2 LEU 34 1HD2 LEU 34 5.043 3.388 5.743 275 2HD2 LEU 34 2HD2 LEU 34 4.216 4.642 6.666 276 3HD2 LEU 34 3HD2 LEU 34 5.002 3.305 7.505 277 H VAL 35 H VAL 35 6.160 2.722 3.459 278 HA VAL 35 HA VAL 35 3.370 3.352 2.784 279 HB VAL 35 HB VAL 35 3.471 1.522 1.086 280 1HG1 VAL 35 1HG1 VAL 35 5.351 3.845 0.679 281 2HG1 VAL 35 2HG1 VAL 35 3.615 3.824 0.372 282 3HG1 VAL 35 3HG1 VAL 35 4.695 2.836 -0.609 283 1HG2 VAL 35 1HG2 VAL 35 5.666 0.785 0.268 284 2HG2 VAL 35 2HG2 VAL 35 5.402 0.305 1.944 285 3HG2 VAL 35 3HG2 VAL 35 6.445 1.678 1.575 286 H THR 36 H THR 36 1.835 2.049 3.614 287 HA THR 36 HA THR 36 2.534 -0.529 4.743 288 HB THR 36 HB THR 36 3.013 1.049 6.590 289 HG1 THR 36 HG1 THR 36 2.213 -1.016 7.145 290 1HG2 THR 36 1HG2 THR 36 1.458 2.837 6.023 291 2HG2 THR 36 2HG2 THR 36 1.169 2.270 7.668 292 3HG2 THR 36 3HG2 THR 36 0.091 1.778 6.362 293 HN2 GLY 37 H GLY 37 0.411 -1.435 5.833 294 1HA GLY 37 2HA GLY 37 -1.915 -0.621 4.223 295 2HA GLY 37 1HA GLY 37 -1.422 -2.309 4.266 296 HA PRO 38 HA PRO 38 -4.150 -0.480 7.988 297 1HB PRO 38 2HB PRO 38 -6.476 -1.776 7.060 298 2HB PRO 38 1HB PRO 38 -6.158 -0.040 7.061 299 1HG PRO 38 2HG PRO 38 -5.866 -2.019 4.858 300 2HG PRO 38 1HG PRO 38 -6.343 -0.314 4.784 301 1HD PRO 38 2HD PRO 38 -3.908 -1.101 4.019 302 2HD PRO 38 1HD PRO 38 -4.142 0.432 4.890 303 H LYS 39 H LYS 39 -4.289 -1.698 9.756 304 HA LYS 39 HA LYS 39 -2.996 -4.165 9.799 305 1HB LYS 39 2HB LYS 39 -3.135 -2.652 11.726 306 2HB LYS 39 1HB LYS 39 -4.848 -3.010 11.889 307 1HG LYS 39 2HG LYS 39 -4.220 -5.408 12.227 308 2HG LYS 39 1HG LYS 39 -2.537 -4.886 12.292 309 1HD LYS 39 2HD LYS 39 -4.747 -3.972 14.132 310 2HD LYS 39 1HD LYS 39 -3.493 -5.142 14.531 311 1HE LYS 39 2HE LYS 39 -1.795 -3.364 14.105 312 2HE LYS 39 1HE LYS 39 -3.118 -2.216 13.900 313 1HZ LYS 39 1HZ LYS 39 -2.232 -2.134 16.141 314 2HZ LYS 39 2HZ LYS 39 -2.542 -3.784 16.356 315 3HZ LYS 39 3HZ LYS 39 -3.833 -2.699 16.169 316 H ASP 40 H ASP 40 -6.465 -3.574 10.388 317 HA ASP 40 HA ASP 40 -7.012 -6.350 10.703 318 1HB ASP 40 2HB ASP 40 -9.011 -4.146 10.207 319 2HB ASP 40 1HB ASP 40 -9.311 -5.703 10.969 320 H ILE 41 H ILE 41 -6.666 -4.396 7.971 321 HA ILE 41 HA ILE 41 -8.508 -6.012 6.365 322 HB ILE 41 HB ILE 41 -7.029 -3.485 5.615 323 1HG1 ILE 41 2HG1 ILE 41 -9.949 -3.905 6.296 324 2HG1 ILE 41 1HG1 ILE 41 -8.758 -3.189 7.378 325 1HG2 ILE 41 1HG2 ILE 41 -9.160 -5.044 4.156 326 2HG2 ILE 41 2HG2 ILE 41 -7.482 -4.824 3.658 327 3HG2 ILE 41 3HG2 ILE 41 -8.582 -3.445 3.687 328 1HD1 ILE 41 1HD1 ILE 41 -8.445 -1.345 5.817 329 2HD1 ILE 41 2HD1 ILE 41 -10.132 -1.495 6.314 330 3HD1 ILE 41 3HD1 ILE 41 -9.627 -2.069 4.725 331 H THR 42 H THR 42 -5.155 -4.809 6.244 332 HA THR 42 HA THR 42 -4.525 -7.072 4.468 333 HB THR 42 HB THR 42 -2.927 -4.518 4.637 334 HG1 THR 42 HG1 THR 42 -5.183 -5.154 3.023 335 1HG2 THR 42 1HG2 THR 42 -3.152 -6.685 2.539 336 2HG2 THR 42 2HG2 THR 42 -1.788 -6.427 3.627 337 3HG2 THR 42 3HG2 THR 42 -2.171 -5.225 2.397 338 HN2 GLY 43 H GLY 43 -2.914 -4.864 6.776 339 1HA GLY 43 2HA GLY 43 -1.676 -5.406 8.662 340 2HA GLY 43 1HA GLY 43 -1.916 -7.109 8.301 341 H VAL 44 H VAL 44 -0.203 -4.262 7.003 342 HA VAL 44 HA VAL 44 2.080 -6.050 6.468 343 HB VAL 44 HB VAL 44 1.318 -3.579 4.891 344 1HG1 VAL 44 1HG1 VAL 44 3.144 -4.234 3.387 345 2HG1 VAL 44 2HG1 VAL 44 3.568 -5.547 4.485 346 3HG1 VAL 44 3HG1 VAL 44 3.732 -3.872 5.009 347 1HG2 VAL 44 1HG2 VAL 44 0.871 -5.120 3.050 348 2HG2 VAL 44 2HG2 VAL 44 -0.170 -5.460 4.432 349 3HG2 VAL 44 3HG2 VAL 44 1.224 -6.489 4.104 350 H LYS 45 H LYS 45 3.559 -5.675 8.002 351 HA LYS 45 HA LYS 45 3.843 -3.218 9.387 352 1HB LYS 45 2HB LYS 45 4.556 -5.379 10.338 353 2HB LYS 45 1HB LYS 45 5.820 -5.492 9.122 354 1HG LYS 45 2HG LYS 45 6.979 -3.627 10.039 355 2HG LYS 45 1HG LYS 45 5.633 -3.252 11.116 356 1HD LYS 45 2HD LYS 45 7.445 -4.344 12.330 357 2HD LYS 45 1HD LYS 45 6.002 -5.356 12.310 358 1HE LYS 45 2HE LYS 45 8.024 -5.762 10.173 359 2HE LYS 45 1HE LYS 45 8.419 -6.321 11.796 360 1HZ LYS 45 1HZ LYS 45 7.398 -8.075 10.512 361 2HZ LYS 45 2HZ LYS 45 6.029 -7.122 10.215 362 3HZ LYS 45 3HZ LYS 45 6.378 -7.634 11.793 363 H ARG 46 H ARG 46 5.301 -1.542 9.101 364 HA ARG 46 HA ARG 46 5.889 -1.184 6.294 365 1HB ARG 46 2HB ARG 46 5.770 1.079 6.644 366 2HB ARG 46 1HB ARG 46 4.716 0.494 7.919 367 1HG ARG 46 2HG ARG 46 7.607 1.244 8.307 368 2HG ARG 46 1HG ARG 46 6.246 2.318 8.611 369 1HD ARG 46 2HD ARG 46 5.408 0.710 10.300 370 2HD ARG 46 1HD ARG 46 6.842 -0.282 10.024 371 HE ARG 46 HE ARG 46 7.522 2.414 10.652 372 1HH1 ARG 46 1HH1 ARG 46 6.576 -0.642 12.097 373 2HH1 ARG 46 2HH1 ARG 46 7.277 -0.261 13.635 374 1HH2 ARG 46 1HH2 ARG 46 8.379 2.924 12.679 375 2HH2 ARG 46 2HH2 ARG 46 8.310 1.758 13.972 376 H ARG 47 H ARG 47 7.809 -0.602 5.401 377 HA ARG 47 HA ARG 47 10.162 -0.223 7.070 378 1HB ARG 47 2HB ARG 47 9.880 -2.345 4.957 379 2HB ARG 47 1HB ARG 47 11.444 -1.597 5.243 380 1HG ARG 47 2HG ARG 47 11.215 -2.261 7.651 381 2HG ARG 47 1HG ARG 47 9.792 -3.192 7.184 382 1HD ARG 47 2HD ARG 47 12.474 -3.573 5.880 383 2HD ARG 47 1HD ARG 47 11.998 -4.449 7.331 384 HE ARG 47 HE ARG 47 9.970 -5.037 5.737 385 1HH1 ARG 47 1HH1 ARG 47 13.398 -4.971 5.033 386 2HH1 ARG 47 2HH1 ARG 47 13.321 -6.263 3.873 387 1HH2 ARG 47 1HH2 ARG 47 9.868 -6.759 4.227 388 2HH2 ARG 47 2HH2 ARG 47 11.313 -7.292 3.423 389 H ARG 48 H ARG 48 11.934 0.800 5.789 390 HA ARG 48 HA ARG 48 10.892 2.923 4.213 391 1HB ARG 48 2HB ARG 48 13.669 2.032 4.940 392 2HB ARG 48 1HB ARG 48 13.417 3.334 3.787 393 1HG ARG 48 2HG ARG 48 12.351 4.685 5.416 394 2HG ARG 48 1HG ARG 48 12.256 3.341 6.557 395 1HD ARG 48 2HD ARG 48 14.610 3.332 6.870 396 2HD ARG 48 1HD ARG 48 14.859 4.443 5.523 397 HE ARG 48 HE ARG 48 14.475 6.184 6.942 398 1HH1 ARG 48 1HH1 ARG 48 13.159 3.275 8.413 399 2HH1 ARG 48 2HH1 ARG 48 12.771 4.065 9.913 400 1HH2 ARG 48 1HH2 ARG 48 13.973 7.204 8.914 401 2HH2 ARG 48 2HH2 ARG 48 13.230 6.302 10.200 402 H VAL 49 H VAL 49 10.154 2.639 2.231 403 HA VAL 49 HA VAL 49 11.693 0.930 0.383 404 HB VAL 49 HB VAL 49 8.774 1.718 0.193 405 1HG1 VAL 49 1HG1 VAL 49 8.661 0.069 -1.613 406 2HG1 VAL 49 2HG1 VAL 49 10.399 -0.197 -1.478 407 3HG1 VAL 49 3HG1 VAL 49 9.784 1.374 -1.994 408 1HG2 VAL 49 1HG2 VAL 49 9.169 0.164 2.031 409 2HG2 VAL 49 2HG2 VAL 49 10.005 -0.934 0.931 410 3HG2 VAL 49 3HG2 VAL 49 8.283 -0.613 0.719 411 H ASN 50 H ASN 50 12.363 1.817 -1.551 412 HA ASN 50 HA ASN 50 12.235 4.712 -1.673 413 1HB ASN 50 2HB ASN 50 13.936 4.549 -3.435 414 2HB ASN 50 1HB ASN 50 14.429 3.723 -1.968 415 1HD2 ASN 50 1HD2 ASN 50 15.901 2.454 -2.967 416 2HD2 ASN 50 2HD2 ASN 50 15.480 1.166 -4.039 417 H ILE 51 H ILE 51 11.813 5.815 -3.693 418 HA ILE 51 HA ILE 51 9.361 4.806 -4.824 419 HB ILE 51 HB ILE 51 9.268 7.018 -5.938 420 1HG1 ILE 51 2HG1 ILE 51 11.829 7.535 -4.416 421 2HG1 ILE 51 1HG1 ILE 51 11.698 7.383 -6.162 422 1HG2 ILE 51 1HG2 ILE 51 8.917 8.306 -3.886 423 2HG2 ILE 51 2HG2 ILE 51 9.793 7.078 -2.973 424 3HG2 ILE 51 3HG2 ILE 51 8.262 6.675 -3.750 425 1HD1 ILE 51 1HD1 ILE 51 10.427 9.526 -4.481 426 2HD1 ILE 51 2HD1 ILE 51 10.298 9.377 -6.234 427 3HD1 ILE 51 3HD1 ILE 51 11.862 9.706 -5.490 428 H LEU 52 H LEU 52 12.303 3.938 -5.557 429 HA LEU 52 HA LEU 52 12.152 4.347 -8.446 430 1HB LEU 52 2HB LEU 52 14.312 3.385 -6.605 431 2HB LEU 52 1HB LEU 52 14.401 3.040 -8.320 432 HG LEU 52 HG LEU 52 15.736 4.987 -7.807 433 1HD1 LEU 52 1HD1 LEU 52 14.605 4.944 -9.960 434 2HD1 LEU 52 2HD1 LEU 52 14.759 6.594 -9.355 435 3HD1 LEU 52 3HD1 LEU 52 13.210 5.758 -9.252 436 1HD2 LEU 52 1HD2 LEU 52 14.754 7.043 -6.927 437 2HD2 LEU 52 2HD2 LEU 52 14.593 5.715 -5.778 438 3HD2 LEU 52 3HD2 LEU 52 13.203 6.224 -6.735 439 H HIS 53 H HIS 53 11.889 1.850 -6.019 440 HA HIS 53 HA HIS 53 11.410 -0.133 -8.144 441 1HB HIS 53 2HB HIS 53 12.218 -0.478 -5.254 442 2HB HIS 53 1HB HIS 53 11.682 -1.816 -6.263 443 HD1 HIS 53 HD1 HIS 53 13.245 -2.493 -8.258 444 HD2 HIS 53 HD2 HIS 53 14.829 0.341 -5.655 445 HE1 HIS 53 HE1 HIS 53 15.713 -2.427 -8.744 446 HE2 HIS 53 HE2 HIS 53 16.676 -0.824 -7.053 447 H LEU 54 H LEU 54 9.591 1.953 -7.021 448 HA LEU 54 HA LEU 54 7.378 0.170 -6.279 449 1HB LEU 54 2HB LEU 54 8.266 1.334 -4.274 450 2HB LEU 54 1HB LEU 54 7.966 2.872 -5.058 451 HG LEU 54 HG LEU 54 5.535 2.322 -5.101 452 1HD1 LEU 54 1HD1 LEU 54 5.712 -0.105 -5.003 453 2HD1 LEU 54 2HD1 LEU 54 4.724 0.515 -3.680 454 3HD1 LEU 54 3HD1 LEU 54 6.384 0.003 -3.374 455 1HD2 LEU 54 1HD2 LEU 54 6.448 3.748 -3.367 456 2HD2 LEU 54 2HD2 LEU 54 6.875 2.335 -2.400 457 3HD2 LEU 54 3HD2 LEU 54 5.180 2.718 -2.702 458 H GLU 55 H GLU 55 5.639 0.453 -7.556 459 HA GLU 55 HA GLU 55 5.433 2.980 -9.035 460 1HB GLU 55 2HB GLU 55 4.632 0.200 -9.898 461 2HB GLU 55 1HB GLU 55 4.189 1.660 -10.770 462 1HG GLU 55 2HG GLU 55 6.635 2.170 -10.971 463 2HG GLU 55 1HG GLU 55 6.952 0.570 -10.304 464 HA PRO 56 HA PRO 56 1.681 3.530 -6.866 465 1HB PRO 56 2HB PRO 56 0.752 5.483 -8.756 466 2HB PRO 56 1HB PRO 56 1.522 5.752 -7.193 467 1HG PRO 56 2HG PRO 56 2.660 6.365 -9.626 468 2HG PRO 56 1HG PRO 56 3.566 6.091 -8.129 469 1HD PRO 56 2HD PRO 56 3.091 4.244 -10.429 470 2HD PRO 56 1HD PRO 56 4.543 4.457 -9.427 471 H THR 57 H THR 57 -0.377 2.863 -6.819 472 HA THR 57 HA THR 57 -1.484 1.481 -9.108 473 HB THR 57 HB THR 57 -2.848 1.971 -6.457 474 HG1 THR 57 HG1 THR 57 -0.926 -0.032 -7.127 475 1HG2 THR 57 1HG2 THR 57 -4.216 0.955 -8.215 476 2HG2 THR 57 2HG2 THR 57 -3.893 -0.200 -6.923 477 3HG2 THR 57 3HG2 THR 57 -3.002 -0.305 -8.443 478 H ASP 58 H ASP 58 -3.822 1.948 -9.690 479 HA ASP 58 HA ASP 58 -3.990 4.600 -10.634 480 1HB ASP 58 2HB ASP 58 -6.275 2.631 -10.465 481 2HB ASP 58 1HB ASP 58 -6.099 3.972 -11.591 482 H LYS 59 H LYS 59 -5.220 3.108 -7.742 483 HA LYS 59 HA LYS 59 -7.227 5.171 -7.336 484 1HB LYS 59 2HB LYS 59 -6.551 2.609 -5.941 485 2HB LYS 59 1HB LYS 59 -7.535 3.809 -5.126 486 1HG LYS 59 2HG LYS 59 -8.914 2.119 -6.187 487 2HG LYS 59 1HG LYS 59 -9.181 3.698 -6.922 488 1HD LYS 59 2HD LYS 59 -7.776 3.085 -8.808 489 2HD LYS 59 1HD LYS 59 -7.406 1.533 -8.051 490 1HE LYS 59 2HE LYS 59 -9.673 0.811 -8.261 491 2HE LYS 59 1HE LYS 59 -10.196 2.418 -8.766 492 1HZ LYS 59 1HZ LYS 59 -9.128 2.177 -10.834 493 2HZ LYS 59 2HZ LYS 59 -9.933 0.706 -10.575 494 3HZ LYS 59 3HZ LYS 59 -8.257 0.808 -10.332 495 H LYS 60 H LYS 60 -7.291 6.612 -5.653 496 HA LYS 60 HA LYS 60 -5.074 6.777 -3.772 497 1HB LYS 60 2HB LYS 60 -4.256 8.191 -5.558 498 2HB LYS 60 1HB LYS 60 -5.812 9.004 -5.685 499 1HG LYS 60 2HG LYS 60 -5.435 9.697 -3.246 500 2HG LYS 60 1HG LYS 60 -3.761 9.222 -3.510 501 1HD LYS 60 2HD LYS 60 -3.501 10.860 -5.239 502 2HD LYS 60 1HD LYS 60 -5.230 11.219 -5.223 503 1HE LYS 60 2HE LYS 60 -4.965 11.947 -2.837 504 2HE LYS 60 1HE LYS 60 -3.222 11.788 -3.048 505 1HZ LYS 60 1HZ LYS 60 -4.833 13.469 -4.860 506 2HZ LYS 60 2HZ LYS 60 -3.161 13.551 -4.544 507 3HZ LYS 60 3HZ LYS 60 -4.282 14.068 -3.377 508 H ILE 61 H ILE 61 -5.838 7.296 -1.797 509 HA ILE 61 HA ILE 61 -8.476 8.556 -1.609 510 HB ILE 61 HB ILE 61 -8.256 8.083 0.861 511 1HG1 ILE 61 2HG1 ILE 61 -5.939 6.362 -0.057 512 2HG1 ILE 61 1HG1 ILE 61 -5.792 7.822 0.911 513 1HG2 ILE 61 1HG2 ILE 61 -8.805 5.700 0.617 514 2HG2 ILE 61 2HG2 ILE 61 -8.207 5.744 -1.042 515 3HG2 ILE 61 3HG2 ILE 61 -9.616 6.703 -0.584 516 1HD1 ILE 61 1HD1 ILE 61 -7.162 5.270 1.732 517 2HD1 ILE 61 2HD1 ILE 61 -7.072 6.738 2.705 518 3HD1 ILE 61 3HD1 ILE 61 -5.599 5.856 2.300 519 H ASP 62 H ASP 62 -8.498 10.699 -1.502 520 HA ASP 62 HA ASP 62 -6.046 12.138 -1.071 521 1HB ASP 62 2HB ASP 62 -7.837 12.754 -2.768 522 2HB ASP 62 1HB ASP 62 -8.793 13.340 -1.410 523 H ILE 63 H ILE 63 -5.362 12.198 0.960 524 HA ILE 63 HA ILE 63 -7.143 13.332 2.995 525 HB ILE 63 HB ILE 63 -6.069 11.801 4.674 526 1HG1 ILE 63 2HG1 ILE 63 -5.139 10.371 2.170 527 2HG1 ILE 63 1HG1 ILE 63 -4.117 11.107 3.399 528 1HG2 ILE 63 1HG2 ILE 63 -7.503 9.879 4.149 529 2HG2 ILE 63 2HG2 ILE 63 -7.734 10.509 2.518 530 3HG2 ILE 63 3HG2 ILE 63 -8.335 11.415 3.908 531 1HD1 ILE 63 1HD1 ILE 63 -5.932 8.744 3.815 532 2HD1 ILE 63 2HD1 ILE 63 -4.882 9.475 5.028 533 3HD1 ILE 63 3HD1 ILE 63 -4.181 8.687 3.615 534 H GLN 64 H GLN 64 -5.597 13.666 5.065 535 HA GLN 64 HA GLN 64 -3.628 15.572 4.245 536 1HB GLN 64 2HB GLN 64 -3.230 15.827 6.694 537 2HB GLN 64 1HB GLN 64 -4.909 16.036 6.224 538 1HG GLN 64 2HG GLN 64 -5.405 13.763 6.970 539 2HG GLN 64 1HG GLN 64 -3.721 13.557 7.450 540 1HE2 GLN 64 1HE2 GLN 64 -4.278 13.187 9.598 541 2HE2 GLN 64 2HE2 GLN 64 -4.822 14.461 10.638 542 H LYS 65 H LYS 65 -1.386 15.544 4.819 543 HA LYS 65 HA LYS 65 -0.131 13.043 4.294 544 1HB LYS 65 2HB LYS 65 0.803 15.278 3.645 545 2HB LYS 65 1HB LYS 65 1.141 15.578 5.343 546 1HG LYS 65 2HG LYS 65 2.724 13.793 5.423 547 2HG LYS 65 1HG LYS 65 2.273 13.254 3.805 548 1HD LYS 65 2HD LYS 65 4.320 14.454 3.599 549 2HD LYS 65 1HD LYS 65 3.047 15.488 2.951 550 1HE LYS 65 2HE LYS 65 4.519 16.820 4.306 551 2HE LYS 65 1HE LYS 65 2.966 16.669 5.128 552 1HZ LYS 65 1HZ LYS 65 3.881 15.026 6.588 553 2HZ LYS 65 2HZ LYS 65 4.905 16.379 6.606 554 3HZ LYS 65 3HZ LYS 65 5.344 14.997 5.729 555 HN2 GLY 66 H GLY 66 0.669 11.553 5.665 556 1HA GLY 66 2HA GLY 66 1.463 10.814 7.806 557 2HA GLY 66 1HA GLY 66 0.578 12.143 8.550 558 H ALA 67 H ALA 67 -0.202 9.535 6.287 559 HA ALA 67 HA ALA 67 -2.853 9.281 7.347 560 1HB ALA 67 1HB ALA 67 -2.413 8.979 4.964 561 2HB ALA 67 2HB ALA 67 -3.135 7.533 5.669 562 3HB ALA 67 3HB ALA 67 -1.407 7.575 5.323 563 H SER 68 H SER 68 -3.222 8.291 9.200 564 HA SER 68 HA SER 68 -1.502 6.160 10.137 565 1HB SER 68 2HB SER 68 -4.037 7.194 11.420 566 2HB SER 68 1HB SER 68 -2.711 6.329 12.197 567 HG SER 68 HG SER 68 -1.405 8.233 11.394 568 H ASP 69 H ASP 69 -2.523 4.133 10.985 569 HA ASP 69 HA ASP 69 -3.860 2.645 9.064 570 1HB ASP 69 2HB ASP 69 -2.747 1.486 10.818 571 2HB ASP 69 1HB ASP 69 -3.654 2.335 12.063 572 H GLU 70 H GLU 70 -5.151 4.535 11.713 573 HA GLU 70 HA GLU 70 -7.860 3.885 11.557 574 1HB GLU 70 2HB GLU 70 -6.818 5.205 13.349 575 2HB GLU 70 1HB GLU 70 -6.551 6.523 12.230 576 1HG GLU 70 2HG GLU 70 -9.094 6.496 11.906 577 2HG GLU 70 1HG GLU 70 -9.120 5.544 13.392 578 H GLU 71 H GLU 71 -6.103 6.544 10.040 579 HA GLU 71 HA GLU 71 -8.315 7.725 8.764 580 1HB GLU 71 2HB GLU 71 -6.065 8.779 9.228 581 2HB GLU 71 1HB GLU 71 -5.438 7.873 7.860 582 1HG GLU 71 2HG GLU 71 -5.931 10.129 7.194 583 2HG GLU 71 1HG GLU 71 -7.034 9.014 6.390 584 H VAL 72 H VAL 72 -5.819 5.515 7.532 585 HA VAL 72 HA VAL 72 -6.782 5.367 4.891 586 HB VAL 72 HB VAL 72 -5.256 3.264 6.455 587 1HG1 VAL 72 1HG1 VAL 72 -5.620 3.608 3.474 588 2HG1 VAL 72 2HG1 VAL 72 -6.284 2.312 4.468 589 3HG1 VAL 72 3HG1 VAL 72 -4.540 2.445 4.245 590 1HG2 VAL 72 1HG2 VAL 72 -4.290 5.501 4.676 591 2HG2 VAL 72 2HG2 VAL 72 -3.273 4.217 5.332 592 3HG2 VAL 72 3HG2 VAL 72 -4.061 5.362 6.418 593 H LYS 73 H LYS 73 -7.582 3.569 7.804 594 HA LYS 73 HA LYS 73 -9.092 1.518 6.594 595 1HB LYS 73 2HB LYS 73 -8.130 1.721 8.974 596 2HB LYS 73 1HB LYS 73 -9.594 2.614 9.350 597 1HG LYS 73 2HG LYS 73 -10.959 0.713 8.836 598 2HG LYS 73 1HG LYS 73 -9.557 -0.191 8.253 599 1HD LYS 73 2HD LYS 73 -10.087 0.731 11.081 600 2HD LYS 73 1HD LYS 73 -10.078 -0.932 10.488 601 1HE LYS 73 2HE LYS 73 -7.703 -0.757 9.981 602 2HE LYS 73 1HE LYS 73 -7.697 0.924 10.500 603 1HZ LYS 73 1HZ LYS 73 -7.984 -1.506 12.153 604 2HZ LYS 73 2HZ LYS 73 -8.483 0.008 12.724 605 3HZ LYS 73 3HZ LYS 73 -6.859 -0.236 12.298 606 H LYS 74 H LYS 74 -10.012 4.639 7.990 607 HA LYS 74 HA LYS 74 -12.789 4.430 7.687 608 1HB LYS 74 2HB LYS 74 -11.012 6.876 7.581 609 2HB LYS 74 1HB LYS 74 -12.763 6.929 7.702 610 1HG LYS 74 2HG LYS 74 -12.681 5.871 9.874 611 2HG LYS 74 1HG LYS 74 -10.927 5.694 9.745 612 1HD LYS 74 2HD LYS 74 -10.650 8.097 9.693 613 2HD LYS 74 1HD LYS 74 -12.398 8.327 9.687 614 1HE LYS 74 2HE LYS 74 -12.548 7.342 11.910 615 2HE LYS 74 1HE LYS 74 -10.807 7.056 11.913 616 1HZ LYS 74 1HZ LYS 74 -10.415 9.412 11.835 617 2HZ LYS 74 2HZ LYS 74 -11.461 9.086 13.130 618 3HZ LYS 74 3HZ LYS 74 -12.071 9.734 11.686 619 H LYS 75 H LYS 75 -10.403 6.003 5.580 620 HA LYS 75 HA LYS 75 -12.354 6.766 3.656 621 1HB LYS 75 2HB LYS 75 -9.400 6.976 3.886 622 2HB LYS 75 1HB LYS 75 -10.110 7.170 2.290 623 1HG LYS 75 2HG LYS 75 -9.798 9.314 3.454 624 2HG LYS 75 1HG LYS 75 -11.491 8.990 3.080 625 1HD LYS 75 2HD LYS 75 -11.727 8.111 5.430 626 2HD LYS 75 1HD LYS 75 -10.108 8.735 5.748 627 1HE LYS 75 2HE LYS 75 -12.415 10.407 4.763 628 2HE LYS 75 1HE LYS 75 -11.955 10.252 6.457 629 1HZ LYS 75 1HZ LYS 75 -11.016 12.242 5.528 630 2HZ LYS 75 2HZ LYS 75 -10.285 11.373 4.273 631 3HZ LYS 75 3HZ LYS 75 -9.765 11.147 5.878 632 H LEU 76 H LEU 76 -10.232 3.985 3.933 633 HA LEU 76 HA LEU 76 -10.606 3.065 1.268 634 1HB LEU 76 2HB LEU 76 -8.810 2.247 2.765 635 2HB LEU 76 1HB LEU 76 -10.016 1.448 3.752 636 HG LEU 76 HG LEU 76 -10.610 0.007 1.834 637 1HD1 LEU 76 1HD1 LEU 76 -9.983 1.542 0.040 638 2HD1 LEU 76 2HD1 LEU 76 -9.185 -0.022 -0.144 639 3HD1 LEU 76 3HD1 LEU 76 -8.284 1.362 0.477 640 1HD2 LEU 76 1HD2 LEU 76 -7.683 0.013 2.561 641 2HD2 LEU 76 2HD2 LEU 76 -8.564 -1.340 1.852 642 3HD2 LEU 76 3HD2 LEU 76 -8.978 -0.766 3.467 643 H GLU 77 H GLU 77 -12.356 2.605 4.289 644 HA GLU 77 HA GLU 77 -14.201 0.683 3.373 645 1HB GLU 77 2HB GLU 77 -13.655 1.755 5.776 646 2HB GLU 77 1HB GLU 77 -15.066 2.718 5.369 647 1HG GLU 77 2HG GLU 77 -15.133 -0.271 5.205 648 2HG GLU 77 1HG GLU 77 -15.373 0.564 6.735 649 H GLU 78 H GLU 78 -14.268 4.232 3.437 650 HA GLU 78 HA GLU 78 -16.818 4.581 2.301 651 1HB GLU 78 2HB GLU 78 -14.370 6.345 2.183 652 2HB GLU 78 1HB GLU 78 -15.956 6.834 1.613 653 1HG GLU 78 2HG GLU 78 -16.814 6.432 3.926 654 2HG GLU 78 1HG GLU 78 -15.143 6.185 4.431 655 H SER 79 H SER 79 -13.660 4.060 0.840 656 HA SER 79 HA SER 79 -14.501 4.665 -1.819 657 1HB SER 79 2HB SER 79 -12.136 4.825 -1.047 658 2HB SER 79 1HB SER 79 -12.088 3.068 -0.923 659 HG SER 79 HG SER 79 -12.962 3.512 -3.320 660 H ASN 80 H ASN 80 -14.654 1.866 0.182 661 HA ASN 80 HA ASN 80 -15.637 -0.167 -0.079 662 1HB ASN 80 2HB ASN 80 -16.539 0.989 -2.722 663 2HB ASN 80 1HB ASN 80 -16.984 -0.623 -2.177 664 1HD2 ASN 80 1HD2 ASN 80 -17.261 0.137 0.616 665 2HD2 ASN 80 2HD2 ASN 80 -18.711 1.072 0.717 666 H LEU 81 H LEU 81 -12.918 0.669 -1.299 667 HA LEU 81 HA LEU 81 -12.516 -1.562 -3.151 668 1HB LEU 81 2HB LEU 81 -11.067 0.949 -2.536 669 2HB LEU 81 1HB LEU 81 -10.075 -0.426 -2.977 670 HG LEU 81 HG LEU 81 -10.538 0.966 -4.921 671 1HD1 LEU 81 1HD1 LEU 81 -10.267 -1.412 -5.285 672 2HD1 LEU 81 2HD1 LEU 81 -11.449 -0.744 -6.412 673 3HD1 LEU 81 3HD1 LEU 81 -11.991 -1.670 -5.012 674 1HD2 LEU 81 1HD2 LEU 81 -12.806 1.180 -5.812 675 2HD2 LEU 81 2HD2 LEU 81 -12.656 1.934 -4.224 676 3HD2 LEU 81 3HD2 LEU 81 -13.441 0.362 -4.383 677 H THR 82 H THR 82 -12.893 -1.637 -0.138 678 HA THR 82 HA THR 82 -10.571 -2.329 1.212 679 HB THR 82 HB THR 82 -13.187 -3.698 1.754 680 HG1 THR 82 HG1 THR 82 -14.080 -1.821 2.390 681 1HG2 THR 82 1HG2 THR 82 -12.544 -3.299 4.088 682 2HG2 THR 82 2HG2 THR 82 -11.095 -2.449 3.548 683 3HG2 THR 82 3HG2 THR 82 -11.279 -4.173 3.225 684 H GLU 83 H GLU 83 -12.799 -4.363 -0.650 685 HA GLU 83 HA GLU 83 -11.725 -6.853 -0.031 686 1HB GLU 83 2HB GLU 83 -13.111 -5.940 -2.553 687 2HB GLU 83 1HB GLU 83 -12.867 -7.606 -2.076 688 1HG GLU 83 2HG GLU 83 -14.549 -5.553 -0.679 689 2HG GLU 83 1HG GLU 83 -15.112 -6.974 -1.556 690 H TYR 84 H TYR 84 -10.856 -4.532 -2.507 691 HA TYR 84 HA TYR 84 -9.203 -6.146 -4.089 692 1HB TYR 84 2HB TYR 84 -10.013 -3.992 -4.863 693 2HB TYR 84 1HB TYR 84 -9.128 -3.163 -3.589 694 HD1 TYR 84 HD1 TYR 84 -8.589 -5.361 -6.554 695 HD2 TYR 84 HD2 TYR 84 -6.998 -2.329 -4.025 696 HE1 TYR 84 HE1 TYR 84 -6.660 -5.122 -8.058 697 HE2 TYR 84 HE2 TYR 84 -5.065 -2.084 -5.524 698 HH TYR 84 HH TYR 84 -4.965 -3.439 -8.628 699 H MET 85 H MET 85 -8.627 -4.606 -1.030 700 HA MET 85 HA MET 85 -5.793 -4.633 -1.152 701 1HB MET 85 2HB MET 85 -7.778 -4.346 1.086 702 2HB MET 85 1HB MET 85 -6.051 -4.362 1.371 703 1HG MET 85 2HG MET 85 -7.524 -2.405 -0.365 704 2HG MET 85 1HG MET 85 -6.924 -2.096 1.263 705 1HE MET 85 1HE MET 85 -4.518 0.070 -0.903 706 2HE MET 85 2HE MET 85 -5.653 0.045 0.446 707 3HE MET 85 3HE MET 85 -6.232 -0.208 -1.200 708 H LYS 86 H LYS 86 -8.220 -6.829 0.229 709 HA LYS 86 HA LYS 86 -6.132 -8.514 1.331 710 1HB LYS 86 2HB LYS 86 -8.356 -7.975 2.471 711 2HB LYS 86 1HB LYS 86 -9.081 -9.110 1.340 712 1HG LYS 86 2HG LYS 86 -7.711 -10.902 2.191 713 2HG LYS 86 1HG LYS 86 -6.858 -9.782 3.255 714 1HD LYS 86 2HD LYS 86 -8.357 -10.480 4.779 715 2HD LYS 86 1HD LYS 86 -9.412 -9.308 3.990 716 1HE LYS 86 2HE LYS 86 -9.262 -12.257 3.369 717 2HE LYS 86 1HE LYS 86 -10.526 -11.465 4.305 718 1HZ LYS 86 1HZ LYS 86 -9.995 -11.297 1.410 719 2HZ LYS 86 2HZ LYS 86 -10.851 -10.065 2.193 720 3HZ LYS 86 3HZ LYS 86 -11.443 -11.651 2.213 721 H GLU 87 H GLU 87 -8.324 -8.502 -1.392 722 HA GLU 87 HA GLU 87 -7.925 -11.228 -2.116 723 1HB GLU 87 2HB GLU 87 -9.845 -9.960 -2.958 724 2HB GLU 87 1HB GLU 87 -8.764 -8.866 -3.810 725 1HG GLU 87 2HG GLU 87 -8.012 -10.680 -5.234 726 2HG GLU 87 1HG GLU 87 -9.037 -11.813 -4.352 727 H LYS 88 H LYS 88 -6.414 -12.142 -3.436 728 HA LYS 88 HA LYS 88 -4.353 -12.497 -4.255 729 1HB LYS 88 2HB LYS 88 -4.752 -9.711 -5.340 730 2HB LYS 88 1HB LYS 88 -3.415 -10.761 -5.765 731 1HG LYS 88 2HG LYS 88 -4.982 -12.395 -6.683 732 2HG LYS 88 1HG LYS 88 -6.322 -11.323 -6.271 733 1HD LYS 88 2HD LYS 88 -5.413 -9.606 -7.749 734 2HD LYS 88 1HD LYS 88 -4.053 -10.657 -8.143 735 1HE LYS 88 2HE LYS 88 -5.744 -10.700 -9.899 736 2HE LYS 88 1HE LYS 88 -5.580 -12.278 -9.130 737 1HZ LYS 88 1HZ LYS 88 -7.672 -10.316 -8.366 738 2HZ LYS 88 2HZ LYS 88 -7.585 -11.963 -7.953 739 3HZ LYS 88 3HZ LYS 88 -7.911 -11.506 -9.555 740 H ILE 89 H ILE 89 -3.459 -12.647 -2.199 741 HA ILE 89 HA ILE 89 -1.488 -10.567 -1.660 742 HB ILE 89 HB ILE 89 -3.352 -10.266 -0.090 743 1HG1 ILE 89 2HG1 ILE 89 -0.863 -11.350 1.238 744 2HG1 ILE 89 1HG1 ILE 89 -1.056 -9.716 0.618 745 1HG2 ILE 89 1HG2 ILE 89 -3.830 -11.947 1.629 746 2HG2 ILE 89 2HG2 ILE 89 -2.734 -13.065 0.816 747 3HG2 ILE 89 3HG2 ILE 89 -4.202 -12.523 0.003 748 1HD1 ILE 89 1HD1 ILE 89 -2.652 -10.930 2.858 749 2HD1 ILE 89 2HD1 ILE 89 -2.796 -9.281 2.250 750 3HD1 ILE 89 3HD1 ILE 89 -1.306 -9.803 3.037 751 H LYS 90 H LYS 90 0.397 -11.374 -0.581 752 HA LYS 90 HA LYS 90 0.915 -14.155 -1.293 753 1HB LYS 90 2HB LYS 90 2.476 -12.355 -2.008 754 2HB LYS 90 1HB LYS 90 2.824 -12.017 -0.322 755 1HG LYS 90 2HG LYS 90 4.617 -13.317 -0.923 756 2HG LYS 90 1HG LYS 90 3.528 -14.518 -0.230 757 1HD LYS 90 2HD LYS 90 3.627 -13.924 -3.181 758 2HD LYS 90 1HD LYS 90 4.668 -15.126 -2.423 759 1HE LYS 90 2HE LYS 90 2.663 -16.307 -1.613 760 2HE LYS 90 1HE LYS 90 1.652 -15.122 -2.437 761 1HZ LYS 90 1HZ LYS 90 2.474 -15.834 -4.541 762 2HZ LYS 90 2HZ LYS 90 2.000 -17.221 -3.688 763 3HZ LYS 90 3HZ LYS 90 3.643 -16.836 -3.826 764 H ILE 91 H ILE 91 -0.141 -15.276 0.356 765 HA ILE 91 HA ILE 91 0.374 -14.675 3.121 766 HB ILE 91 HB ILE 91 -0.839 -17.201 1.978 767 1HG1 ILE 91 2HG1 ILE 91 -2.960 -15.968 3.021 768 2HG1 ILE 91 1HG1 ILE 91 -2.015 -14.536 2.626 769 1HG2 ILE 91 1HG2 ILE 91 -1.786 -17.462 4.243 770 2HG2 ILE 91 2HG2 ILE 91 -0.844 -16.068 4.770 771 3HG2 ILE 91 3HG2 ILE 91 -0.024 -17.530 4.221 772 1HD1 ILE 91 1HD1 ILE 91 -2.828 -16.688 0.686 773 2HD1 ILE 91 2HD1 ILE 91 -1.916 -15.229 0.299 774 3HD1 ILE 91 3HD1 ILE 91 -3.584 -15.103 0.854 775 H ARG 92 H ARG 92 2.463 -14.878 3.684 776 HA ARG 92 HA ARG 92 3.719 -17.501 3.262 777 1HB ARG 92 2HB ARG 92 4.520 -15.665 1.660 778 2HB ARG 92 1HB ARG 92 5.248 -14.910 3.068 779 1HG ARG 92 2HG ARG 92 6.946 -16.146 1.992 780 2HG ARG 92 1HG ARG 92 6.506 -17.048 3.443 781 1HD ARG 92 2HD ARG 92 5.199 -18.596 2.165 782 2HD ARG 92 1HD ARG 92 5.390 -17.626 0.705 783 HE ARG 92 HE ARG 92 7.447 -19.298 1.978 784 1HH1 ARG 92 1HH1 ARG 92 6.412 -17.285 -0.695 785 2HH1 ARG 92 2HH1 ARG 92 7.740 -17.733 -1.721 786 1HH2 ARG 92 1HH2 ARG 92 9.171 -19.926 0.609 787 2HH2 ARG 92 2HH2 ARG 92 9.286 -19.262 -0.994 788 H MET 93 H MET 93 3.745 -18.278 5.308 789 HA MET 93 HA MET 93 4.961 -16.534 7.349 790 1HB MET 93 2HB MET 93 3.686 -17.842 9.056 791 2HB MET 93 1HB MET 93 2.682 -16.868 7.994 792 1HG MET 93 2HG MET 93 2.118 -18.870 6.699 793 2HG MET 93 1HG MET 93 3.124 -19.840 7.773 794 1HE MET 93 1HE MET 93 1.142 -21.501 8.315 795 2HE MET 93 2HE MET 93 0.148 -20.599 7.169 796 3HE MET 93 3HE MET 93 -0.475 -20.968 8.778 797 HA PRO 94 HA PRO 94 7.893 -19.950 6.925 798 1HB PRO 94 2HB PRO 94 9.926 -18.062 7.713 799 2HB PRO 94 1HB PRO 94 9.680 -18.816 6.137 800 1HG PRO 94 2HG PRO 94 9.309 -16.146 6.630 801 2HG PRO 94 1HG PRO 94 8.498 -17.038 5.331 802 1HD PRO 94 2HD PRO 94 7.457 -16.239 8.023 803 2HD PRO 94 1HD PRO 94 6.633 -16.239 6.446 804 H THR 95 H THR 95 7.570 -17.630 9.546 805 HA THR 95 HA THR 95 8.672 -19.647 11.389 806 HB THR 95 HB THR 95 8.637 -16.654 11.824 807 HG1 THR 95 HG1 THR 95 10.113 -17.734 10.116 808 1HG2 THR 95 1HG2 THR 95 9.999 -18.910 13.307 809 2HG2 THR 95 2HG2 THR 95 8.655 -17.931 13.894 810 3HG2 THR 95 3HG2 THR 95 10.236 -17.192 13.635 811 H LEU 96 H LEU 96 7.161 -20.573 12.574 812 HA LEU 96 HA LEU 96 5.045 -18.931 13.745 813 1HB LEU 96 2HB LEU 96 4.109 -19.945 11.695 814 2HB LEU 96 1HB LEU 96 4.532 -21.534 12.298 815 HG LEU 96 HG LEU 96 2.977 -21.203 14.196 816 1HD1 LEU 96 1HD1 LEU 96 2.203 -18.680 12.737 817 2HD1 LEU 96 2HD1 LEU 96 3.044 -18.760 14.285 818 3HD1 LEU 96 3HD1 LEU 96 1.388 -19.354 14.147 819 1HD2 LEU 96 1HD2 LEU 96 1.750 -20.839 11.467 820 2HD2 LEU 96 2HD2 LEU 96 0.921 -21.447 12.899 821 3HD2 LEU 96 3HD2 LEU 96 2.243 -22.372 12.187 Start of MODEL 16 1 1H MET 1 1H MET 1 -2.831 14.240 -13.725 2 2H MET 1 2H MET 1 -1.165 14.420 -13.494 3 3H MET 1 3H MET 1 -2.240 14.715 -12.213 4 HA MET 1 HA MET 1 -2.885 12.422 -12.145 5 1HB MET 1 2HB MET 1 -0.872 12.147 -14.390 6 2HB MET 1 1HB MET 1 -1.536 10.789 -13.496 7 1HG MET 1 2HG MET 1 -2.694 10.999 -15.576 8 2HG MET 1 1HG MET 1 -3.788 11.427 -14.266 9 1HE MET 1 1HE MET 1 -4.314 12.091 -17.366 10 2HE MET 1 2HE MET 1 -4.938 13.735 -17.241 11 3HE MET 1 3HE MET 1 -5.446 12.513 -16.078 12 HA PRO 2 HA PRO 2 0.564 13.235 -9.353 13 1HB PRO 2 2HB PRO 2 -0.525 11.901 -7.232 14 2HB PRO 2 1HB PRO 2 -0.946 13.562 -7.666 15 1HG PRO 2 2HG PRO 2 -2.409 11.023 -8.266 16 2HG PRO 2 1HG PRO 2 -3.050 12.592 -7.742 17 1HD PRO 2 2HD PRO 2 -3.139 11.792 -10.316 18 2HD PRO 2 1HD PRO 2 -2.936 13.493 -9.860 19 H ALA 3 H ALA 3 2.181 12.016 -10.202 20 HA ALA 3 HA ALA 3 2.198 9.151 -9.956 21 1HB ALA 3 1HB ALA 3 4.459 11.039 -10.614 22 2HB ALA 3 2HB ALA 3 3.398 10.257 -11.786 23 3HB ALA 3 3HB ALA 3 4.482 9.285 -10.791 24 H ILE 4 H ILE 4 2.285 8.309 -7.992 25 HA ILE 4 HA ILE 4 2.934 7.810 -5.876 26 HB ILE 4 HB ILE 4 5.310 9.559 -6.522 27 1HG1 ILE 4 2HG1 ILE 4 5.024 6.548 -6.403 28 2HG1 ILE 4 1HG1 ILE 4 5.067 7.501 -7.883 29 1HG2 ILE 4 1HG2 ILE 4 4.978 9.485 -4.114 30 2HG2 ILE 4 2HG2 ILE 4 6.389 8.530 -4.567 31 3HG2 ILE 4 3HG2 ILE 4 4.873 7.724 -4.163 32 1HD1 ILE 4 1HD1 ILE 4 7.292 7.229 -5.873 33 2HD1 ILE 4 2HD1 ILE 4 7.346 8.220 -7.332 34 3HD1 ILE 4 3HD1 ILE 4 7.207 6.466 -7.460 35 H GLU 5 H GLU 5 1.284 8.704 -4.770 36 HA GLU 5 HA GLU 5 1.801 11.246 -3.454 37 1HB GLU 5 2HB GLU 5 0.381 11.766 -5.436 38 2HB GLU 5 1HB GLU 5 -0.823 10.633 -4.842 39 1HG GLU 5 2HG GLU 5 -1.065 12.020 -2.807 40 2HG GLU 5 1HG GLU 5 0.054 13.187 -3.508 41 H VAL 6 H VAL 6 0.472 11.503 -1.523 42 HA VAL 6 HA VAL 6 0.367 9.148 0.001 43 HB VAL 6 HB VAL 6 -0.797 10.523 1.721 44 1HG1 VAL 6 1HG1 VAL 6 1.632 11.790 0.465 45 2HG1 VAL 6 2HG1 VAL 6 1.631 10.441 1.600 46 3HG1 VAL 6 3HG1 VAL 6 1.079 12.032 2.121 47 1HG2 VAL 6 1HG2 VAL 6 -1.084 12.926 1.329 48 2HG2 VAL 6 2HG2 VAL 6 -2.092 11.973 0.239 49 3HG2 VAL 6 3HG2 VAL 6 -0.605 12.710 -0.354 50 HN2 GLY 7 H GLY 7 -1.247 7.825 0.626 51 1HA GLY 7 2HA GLY 7 -3.445 7.077 0.887 52 2HA GLY 7 1HA GLY 7 -4.001 8.432 -0.081 53 H ARG 8 H ARG 8 -1.614 7.347 -1.924 54 HA ARG 8 HA ARG 8 -3.445 5.678 -3.469 55 1HB ARG 8 2HB ARG 8 -2.205 7.622 -4.518 56 2HB ARG 8 1HB ARG 8 -0.728 6.682 -4.332 57 1HG ARG 8 2HG ARG 8 -1.506 5.006 -5.819 58 2HG ARG 8 1HG ARG 8 -3.135 5.683 -5.829 59 1HD ARG 8 2HD ARG 8 -2.115 7.773 -6.820 60 2HD ARG 8 1HD ARG 8 -0.637 6.835 -7.046 61 HE ARG 8 HE ARG 8 -2.468 5.274 -8.233 62 1HH1 ARG 8 1HH1 ARG 8 -1.751 8.693 -8.551 63 2HH1 ARG 8 2HH1 ARG 8 -2.351 8.794 -10.177 64 1HH2 ARG 8 1HH2 ARG 8 -3.255 5.404 -10.351 65 2HH2 ARG 8 2HH2 ARG 8 -3.204 6.918 -11.206 66 H ILE 9 H ILE 9 -3.153 3.562 -3.824 67 HA ILE 9 HA ILE 9 -1.242 2.194 -2.159 68 HB ILE 9 HB ILE 9 -3.318 1.105 -4.077 69 1HG1 ILE 9 2HG1 ILE 9 -4.337 0.339 -1.818 70 2HG1 ILE 9 1HG1 ILE 9 -3.292 1.558 -1.100 71 1HG2 ILE 9 1HG2 ILE 9 -1.569 -0.355 -2.102 72 2HG2 ILE 9 2HG2 ILE 9 -1.525 -0.498 -3.861 73 3HG2 ILE 9 3HG2 ILE 9 -2.934 -1.069 -2.962 74 1HD1 ILE 9 1HD1 ILE 9 -5.417 2.064 -3.170 75 2HD1 ILE 9 2HD1 ILE 9 -4.376 3.283 -2.436 76 3HD1 ILE 9 3HD1 ILE 9 -5.541 2.407 -1.445 77 H CYS 10 H CYS 10 0.617 1.312 -2.781 78 HA CYS 10 HA CYS 10 1.204 1.127 -5.662 79 1HB CYS 10 2HB CYS 10 3.608 1.420 -5.006 80 2HB CYS 10 1HB CYS 10 2.607 2.837 -4.724 81 HG CYS 10 HG CYS 10 2.369 1.409 -1.935 82 H VAL 11 H VAL 11 2.566 -0.661 -6.293 83 HA VAL 11 HA VAL 11 2.245 -2.939 -4.460 84 HB VAL 11 HB VAL 11 0.932 -3.160 -6.513 85 1HG1 VAL 11 1HG1 VAL 11 3.579 -2.987 -7.947 86 2HG1 VAL 11 2HG1 VAL 11 2.254 -1.827 -8.032 87 3HG1 VAL 11 3HG1 VAL 11 2.049 -3.449 -8.691 88 1HG2 VAL 11 1HG2 VAL 11 1.727 -5.366 -7.220 89 2HG2 VAL 11 2HG2 VAL 11 1.777 -5.183 -5.467 90 3HG2 VAL 11 3HG2 VAL 11 3.265 -5.068 -6.407 91 H LYS 12 H LYS 12 3.928 -4.320 -4.098 92 HA LYS 12 HA LYS 12 6.581 -3.313 -4.458 93 1HB LYS 12 2HB LYS 12 5.591 -4.825 -2.558 94 2HB LYS 12 1HB LYS 12 5.950 -6.146 -3.656 95 1HG LYS 12 2HG LYS 12 7.963 -4.173 -2.584 96 2HG LYS 12 1HG LYS 12 7.710 -5.811 -1.985 97 1HD LYS 12 2HD LYS 12 8.285 -6.658 -4.255 98 2HD LYS 12 1HD LYS 12 8.679 -5.005 -4.724 99 1HE LYS 12 2HE LYS 12 10.720 -6.077 -4.152 100 2HE LYS 12 1HE LYS 12 10.332 -4.964 -2.842 101 1HZ LYS 12 1HZ LYS 12 9.698 -7.862 -2.775 102 2HZ LYS 12 2HZ LYS 12 9.606 -6.756 -1.486 103 3HZ LYS 12 3HZ LYS 12 11.117 -7.192 -2.124 104 H VAL 13 H VAL 13 7.340 -3.277 -6.509 105 HA VAL 13 HA VAL 13 7.023 -5.708 -8.114 106 HB VAL 13 HB VAL 13 5.611 -3.971 -9.031 107 1HG1 VAL 13 1HG1 VAL 13 8.091 -2.275 -9.239 108 2HG1 VAL 13 2HG1 VAL 13 6.718 -2.003 -8.166 109 3HG1 VAL 13 3HG1 VAL 13 6.510 -1.875 -9.913 110 1HG2 VAL 13 1HG2 VAL 13 6.492 -3.858 -11.320 111 2HG2 VAL 13 2HG2 VAL 13 6.627 -5.472 -10.622 112 3HG2 VAL 13 3HG2 VAL 13 8.052 -4.438 -10.737 113 H LYS 14 H LYS 14 9.013 -5.939 -6.689 114 HA LYS 14 HA LYS 14 11.316 -5.369 -8.428 115 1HB LYS 14 2HB LYS 14 11.313 -4.090 -6.222 116 2HB LYS 14 1HB LYS 14 11.482 -5.641 -5.420 117 1HG LYS 14 2HG LYS 14 13.446 -4.704 -7.489 118 2HG LYS 14 1HG LYS 14 13.590 -4.254 -5.790 119 1HD LYS 14 2HD LYS 14 13.682 -6.631 -5.181 120 2HD LYS 14 1HD LYS 14 13.548 -7.067 -6.885 121 1HE LYS 14 2HE LYS 14 15.647 -5.821 -7.323 122 2HE LYS 14 1HE LYS 14 15.794 -5.521 -5.593 123 1HZ LYS 14 1HZ LYS 14 15.743 -8.201 -6.873 124 2HZ LYS 14 2HZ LYS 14 15.934 -7.899 -5.215 125 3HZ LYS 14 3HZ LYS 14 17.129 -7.411 -6.312 126 HN2 GLY 15 H GLY 15 9.755 -7.532 -6.134 127 1HA GLY 15 2HA GLY 15 11.578 -9.706 -6.813 128 2HA GLY 15 1HA GLY 15 10.353 -9.727 -5.552 129 H ARG 16 H ARG 16 9.545 -11.709 -6.245 130 HA ARG 16 HA ARG 16 8.195 -11.669 -8.862 131 1HB ARG 16 2HB ARG 16 9.966 -13.413 -8.530 132 2HB ARG 16 1HB ARG 16 8.994 -14.086 -7.227 133 1HG ARG 16 2HG ARG 16 7.260 -14.701 -8.739 134 2HG ARG 16 1HG ARG 16 8.020 -13.815 -10.061 135 1HD ARG 16 2HD ARG 16 9.152 -16.237 -8.666 136 2HD ARG 16 1HD ARG 16 8.420 -16.215 -10.269 137 HE ARG 16 HE ARG 16 10.661 -14.414 -9.927 138 1HH1 ARG 16 1HH1 ARG 16 9.631 -17.617 -10.910 139 2HH1 ARG 16 2HH1 ARG 16 11.059 -17.919 -11.855 140 1HH2 ARG 16 1HH2 ARG 16 12.512 -14.796 -11.172 141 2HH2 ARG 16 2HH2 ARG 16 12.688 -16.307 -12.015 142 H GLU 17 H GLU 17 7.812 -11.725 -5.495 143 HA GLU 17 HA GLU 17 5.041 -12.623 -5.679 144 1HB GLU 17 2HB GLU 17 5.060 -12.477 -3.182 145 2HB GLU 17 1HB GLU 17 6.210 -13.626 -3.842 146 1HG GLU 17 2HG GLU 17 6.954 -10.845 -2.967 147 2HG GLU 17 1HG GLU 17 7.024 -12.255 -1.913 148 H ALA 18 H ALA 18 3.790 -11.067 -6.448 149 HA ALA 18 HA ALA 18 4.248 -8.305 -5.584 150 1HB ALA 18 1HB ALA 18 2.618 -9.342 -7.898 151 2HB ALA 18 2HB ALA 18 4.258 -8.701 -7.997 152 3HB ALA 18 3HB ALA 18 2.927 -7.647 -7.523 153 HN2 GLY 19 H GLY 19 2.872 -10.427 -4.061 154 1HA GLY 19 2HA GLY 19 0.100 -9.540 -3.982 155 2HA GLY 19 1HA GLY 19 0.805 -10.835 -3.027 156 H SER 20 H SER 20 2.452 -7.832 -3.184 157 HA SER 20 HA SER 20 1.541 -7.190 -0.467 158 1HB SER 20 2HB SER 20 4.249 -6.635 -1.700 159 2HB SER 20 1HB SER 20 3.756 -6.216 -0.060 160 HG SER 20 HG SER 20 3.631 -8.877 -0.991 161 H LYS 21 H LYS 21 -0.018 -5.740 -0.922 162 HA LYS 21 HA LYS 21 0.649 -3.406 -2.554 163 1HB LYS 21 2HB LYS 21 -1.942 -4.279 -1.252 164 2HB LYS 21 1HB LYS 21 -1.747 -2.776 -2.141 165 1HG LYS 21 2HG LYS 21 -1.276 -3.996 -4.174 166 2HG LYS 21 1HG LYS 21 -1.359 -5.531 -3.302 167 1HD LYS 21 2HD LYS 21 -3.707 -5.083 -2.752 168 2HD LYS 21 1HD LYS 21 -3.615 -3.552 -3.622 169 1HE LYS 21 2HE LYS 21 -3.288 -4.670 -5.706 170 2HE LYS 21 1HE LYS 21 -3.088 -6.228 -4.905 171 1HZ LYS 21 1HZ LYS 21 -5.586 -4.615 -4.963 172 2HZ LYS 21 2HZ LYS 21 -5.389 -6.094 -4.165 173 3HZ LYS 21 3HZ LYS 21 -5.298 -6.032 -5.855 174 H CYS 22 H CYS 22 1.235 -1.529 -1.649 175 HA CYS 22 HA CYS 22 0.786 -1.197 1.241 176 1HB CYS 22 2HB CYS 22 3.277 -0.327 -0.222 177 2HB CYS 22 1HB CYS 22 2.985 -0.250 1.508 178 HG CYS 22 HG CYS 22 2.537 -3.334 0.842 179 H VAL 23 H VAL 23 0.336 0.856 1.931 180 HA VAL 23 HA VAL 23 -0.527 2.689 -0.189 181 HB VAL 23 HB VAL 23 -1.188 2.742 2.765 182 1HG1 VAL 23 1HG1 VAL 23 -2.398 4.242 0.440 183 2HG1 VAL 23 2HG1 VAL 23 -1.374 4.930 1.702 184 3HG1 VAL 23 3HG1 VAL 23 -2.968 4.294 2.106 185 1HG2 VAL 23 1HG2 VAL 23 -2.077 0.734 1.686 186 2HG2 VAL 23 2HG2 VAL 23 -2.850 1.738 0.456 187 3HG2 VAL 23 3HG2 VAL 23 -3.365 1.851 2.140 188 H ILE 24 H ILE 24 0.457 4.610 -0.498 189 HA ILE 24 HA ILE 24 2.790 5.328 0.992 190 HB ILE 24 HB ILE 24 1.219 7.018 -0.967 191 1HG1 ILE 24 2HG1 ILE 24 3.593 5.208 -1.466 192 2HG1 ILE 24 1HG1 ILE 24 1.936 4.849 -1.928 193 1HG2 ILE 24 1HG2 ILE 24 4.084 7.211 -0.028 194 2HG2 ILE 24 2HG2 ILE 24 2.767 8.293 0.428 195 3HG2 ILE 24 3HG2 ILE 24 3.321 8.237 -1.244 196 1HD1 ILE 24 1HD1 ILE 24 3.238 5.635 -3.818 197 2HD1 ILE 24 2HD1 ILE 24 3.593 7.135 -2.963 198 3HD1 ILE 24 3HD1 ILE 24 1.937 6.759 -3.436 199 H VAL 25 H VAL 25 2.436 5.835 3.073 200 HA VAL 25 HA VAL 25 0.023 7.208 3.878 201 HB VAL 25 HB VAL 25 2.355 6.281 5.548 202 1HG1 VAL 25 1HG1 VAL 25 -0.420 7.138 6.348 203 2HG1 VAL 25 2HG1 VAL 25 1.076 8.023 6.655 204 3HG1 VAL 25 3HG1 VAL 25 0.796 6.465 7.432 205 1HG2 VAL 25 1HG2 VAL 25 0.911 4.385 6.140 206 2HG2 VAL 25 2HG2 VAL 25 1.275 4.418 4.415 207 3HG2 VAL 25 3HG2 VAL 25 -0.298 4.961 4.994 208 H ASP 26 H ASP 26 3.506 7.835 3.945 209 HA ASP 26 HA ASP 26 2.931 10.696 4.078 210 1HB ASP 26 2HB ASP 26 3.270 10.063 6.402 211 2HB ASP 26 1HB ASP 26 4.785 9.264 5.989 212 H ILE 27 H ILE 27 4.070 11.742 2.626 213 HA ILE 27 HA ILE 27 6.341 10.482 1.340 214 HB ILE 27 HB ILE 27 5.112 13.206 0.839 215 1HG1 ILE 27 2HG1 ILE 27 4.772 10.608 -0.678 216 2HG1 ILE 27 1HG1 ILE 27 3.566 11.320 0.389 217 1HG2 ILE 27 1HG2 ILE 27 7.424 13.098 0.100 218 2HG2 ILE 27 2HG2 ILE 27 6.342 13.111 -1.290 219 3HG2 ILE 27 3HG2 ILE 27 7.096 11.604 -0.775 220 1HD1 ILE 27 1HD1 ILE 27 4.617 12.555 -2.149 221 2HD1 ILE 27 2HD1 ILE 27 3.394 13.249 -1.087 222 3HD1 ILE 27 3HD1 ILE 27 3.061 11.749 -1.950 223 H ILE 28 H ILE 28 8.233 10.600 2.340 224 HA ILE 28 HA ILE 28 8.793 12.836 4.139 225 HB ILE 28 HB ILE 28 10.414 10.315 3.746 226 1HG1 ILE 28 2HG1 ILE 28 8.329 10.896 5.863 227 2HG1 ILE 28 1HG1 ILE 28 8.082 9.827 4.485 228 1HG2 ILE 28 1HG2 ILE 28 11.652 12.134 4.762 229 2HG2 ILE 28 2HG2 ILE 28 11.318 10.888 5.965 230 3HG2 ILE 28 3HG2 ILE 28 10.369 12.375 5.951 231 1HD1 ILE 28 1HD1 ILE 28 9.849 8.364 5.306 232 2HD1 ILE 28 2HD1 ILE 28 8.573 8.577 6.502 233 3HD1 ILE 28 3HD1 ILE 28 10.101 9.437 6.683 234 H ASP 29 H ASP 29 10.531 10.924 1.719 235 HA ASP 29 HA ASP 29 12.183 13.280 1.082 236 1HB ASP 29 2HB ASP 29 13.304 11.199 2.006 237 2HB ASP 29 1HB ASP 29 12.811 10.359 0.548 238 H ASP 30 H ASP 30 13.162 12.311 -1.351 239 HA ASP 30 HA ASP 30 10.797 12.579 -3.059 240 1HB ASP 30 2HB ASP 30 12.732 14.074 -3.473 241 2HB ASP 30 1HB ASP 30 13.748 12.666 -3.758 242 H ASN 31 H ASN 31 13.413 10.419 -2.240 243 HA ASN 31 HA ASN 31 12.255 8.361 -4.010 244 1HB ASN 31 2HB ASN 31 14.580 9.084 -4.556 245 2HB ASN 31 1HB ASN 31 15.094 8.546 -2.964 246 1HD2 ASN 31 1HD2 ASN 31 16.586 7.181 -4.020 247 2HD2 ASN 31 2HD2 ASN 31 16.085 5.684 -4.732 248 H PHE 32 H PHE 32 12.249 9.309 -0.902 249 HA PHE 32 HA PHE 32 11.906 6.559 0.084 250 1HB PHE 32 2HB PHE 32 13.297 8.868 1.432 251 2HB PHE 32 1HB PHE 32 12.642 7.521 2.348 252 HD1 PHE 32 HD1 PHE 32 13.536 5.228 1.945 253 HD2 PHE 32 HD2 PHE 32 15.363 8.718 0.331 254 HE1 PHE 32 HE1 PHE 32 15.624 3.971 1.603 255 HE2 PHE 32 HE2 PHE 32 17.452 7.469 -0.014 256 HZ PHE 32 HZ PHE 32 17.586 5.095 0.622 257 H VAL 33 H VAL 33 9.869 6.233 0.718 258 HA VAL 33 HA VAL 33 8.479 8.440 2.077 259 HB VAL 33 HB VAL 33 6.347 7.803 1.053 260 1HG1 VAL 33 1HG1 VAL 33 7.600 9.588 0.008 261 2HG1 VAL 33 2HG1 VAL 33 6.765 8.641 -1.221 262 3HG1 VAL 33 3HG1 VAL 33 8.495 8.424 -0.968 263 1HG2 VAL 33 1HG2 VAL 33 7.977 5.917 -0.644 264 2HG2 VAL 33 2HG2 VAL 33 6.262 6.273 -0.851 265 3HG2 VAL 33 3HG2 VAL 33 6.822 5.454 0.607 266 H LEU 34 H LEU 34 6.541 7.591 3.318 267 HA LEU 34 HA LEU 34 7.300 5.112 4.675 268 1HB LEU 34 2HB LEU 34 6.709 7.328 5.868 269 2HB LEU 34 1HB LEU 34 5.050 6.969 5.440 270 HG LEU 34 HG LEU 34 6.757 5.098 7.080 271 1HD1 LEU 34 1HD1 LEU 34 6.552 7.246 8.227 272 2HD1 LEU 34 2HD1 LEU 34 5.631 5.983 9.044 273 3HD1 LEU 34 3HD1 LEU 34 4.799 7.174 8.045 274 1HD2 LEU 34 1HD2 LEU 34 4.593 4.169 7.766 275 2HD2 LEU 34 2HD2 LEU 34 4.827 4.050 6.022 276 3HD2 LEU 34 3HD2 LEU 34 3.771 5.297 6.688 277 H VAL 35 H VAL 35 6.428 3.295 3.943 278 HA VAL 35 HA VAL 35 3.674 3.385 2.911 279 HB VAL 35 HB VAL 35 4.297 1.484 1.399 280 1HG1 VAL 35 1HG1 VAL 35 5.356 2.890 -0.303 281 2HG1 VAL 35 2HG1 VAL 35 5.749 4.088 0.934 282 3HG1 VAL 35 3HG1 VAL 35 4.062 3.747 0.541 283 1HG2 VAL 35 1HG2 VAL 35 6.673 1.182 0.842 284 2HG2 VAL 35 2HG2 VAL 35 6.318 0.725 2.507 285 3HG2 VAL 35 3HG2 VAL 35 7.112 2.262 2.164 286 H THR 36 H THR 36 2.326 1.746 3.496 287 HA THR 36 HA THR 36 3.161 -0.709 4.596 288 HB THR 36 HB THR 36 3.728 0.718 6.547 289 HG1 THR 36 HG1 THR 36 2.785 -0.663 8.012 290 1HG2 THR 36 1HG2 THR 36 0.767 1.307 6.601 291 2HG2 THR 36 2HG2 THR 36 2.052 2.466 6.272 292 3HG2 THR 36 3HG2 THR 36 1.916 1.730 7.867 293 HN2 GLY 37 H GLY 37 1.035 -1.559 5.955 294 1HA GLY 37 2HA GLY 37 -1.349 -0.729 4.450 295 2HA GLY 37 1HA GLY 37 -0.907 -2.432 4.510 296 HA PRO 38 HA PRO 38 -3.346 -0.357 8.345 297 1HB PRO 38 2HB PRO 38 -5.517 -1.896 6.975 298 2HB PRO 38 1HB PRO 38 -5.623 -0.420 7.941 299 1HG PRO 38 2HG PRO 38 -5.716 -0.315 5.284 300 2HG PRO 38 1HG PRO 38 -4.861 0.925 6.217 301 1HD PRO 38 2HD PRO 38 -3.772 -1.274 4.550 302 2HD PRO 38 1HD PRO 38 -3.070 0.311 4.933 303 H LYS 39 H LYS 39 -3.329 -1.508 10.171 304 HA LYS 39 HA LYS 39 -2.337 -4.196 9.963 305 1HB LYS 39 2HB LYS 39 -2.215 -4.022 12.493 306 2HB LYS 39 1HB LYS 39 -1.233 -2.913 11.561 307 1HG LYS 39 2HG LYS 39 -2.087 -1.612 13.282 308 2HG LYS 39 1HG LYS 39 -3.114 -1.223 11.905 309 1HD LYS 39 2HD LYS 39 -4.841 -2.713 12.736 310 2HD LYS 39 1HD LYS 39 -3.803 -3.194 14.083 311 1HE LYS 39 2HE LYS 39 -3.805 -0.891 14.907 312 2HE LYS 39 1HE LYS 39 -4.827 -0.405 13.555 313 1HZ LYS 39 1HZ LYS 39 -6.526 -1.955 14.380 314 2HZ LYS 39 2HZ LYS 39 -6.169 -0.720 15.490 315 3HZ LYS 39 3HZ LYS 39 -5.556 -2.286 15.735 316 H ASP 40 H ASP 40 -5.399 -2.894 10.220 317 HA ASP 40 HA ASP 40 -6.477 -5.411 11.285 318 1HB ASP 40 2HB ASP 40 -7.753 -2.721 10.818 319 2HB ASP 40 1HB ASP 40 -8.709 -4.163 11.125 320 H ILE 41 H ILE 41 -5.588 -4.174 8.366 321 HA ILE 41 HA ILE 41 -7.767 -5.574 6.962 322 HB ILE 41 HB ILE 41 -6.304 -3.104 6.025 323 1HG1 ILE 41 2HG1 ILE 41 -9.197 -3.523 6.816 324 2HG1 ILE 41 1HG1 ILE 41 -7.993 -2.654 7.758 325 1HG2 ILE 41 1HG2 ILE 41 -7.829 -3.171 4.100 326 2HG2 ILE 41 2HG2 ILE 41 -8.466 -4.714 4.671 327 3HG2 ILE 41 3HG2 ILE 41 -6.780 -4.589 4.164 328 1HD1 ILE 41 1HD1 ILE 41 -7.812 -0.979 6.007 329 2HD1 ILE 41 2HD1 ILE 41 -9.481 -1.141 6.559 330 3HD1 ILE 41 3HD1 ILE 41 -8.983 -1.862 5.031 331 H THR 42 H THR 42 -4.472 -4.335 6.309 332 HA THR 42 HA THR 42 -4.114 -6.554 4.437 333 HB THR 42 HB THR 42 -2.078 -4.393 4.772 334 HG1 THR 42 HG1 THR 42 -4.187 -3.858 3.024 335 1HG2 THR 42 1HG2 THR 42 -3.246 -5.802 2.363 336 2HG2 THR 42 2HG2 THR 42 -1.729 -6.218 3.159 337 3HG2 THR 42 3HG2 THR 42 -1.898 -4.665 2.341 338 HN2 GLY 43 H GLY 43 -2.367 -4.930 7.089 339 1HA GLY 43 2HA GLY 43 -1.024 -5.874 8.728 340 2HA GLY 43 1HA GLY 43 -1.317 -7.453 8.018 341 H VAL 44 H VAL 44 0.176 -4.444 6.838 342 HA VAL 44 HA VAL 44 2.344 -6.041 5.697 343 HB VAL 44 HB VAL 44 1.715 -3.104 5.323 344 1HG1 VAL 44 1HG1 VAL 44 3.268 -3.213 3.433 345 2HG1 VAL 44 2HG1 VAL 44 3.665 -4.876 3.860 346 3HG1 VAL 44 3HG1 VAL 44 4.074 -3.561 4.962 347 1HG2 VAL 44 1HG2 VAL 44 -0.016 -4.573 4.396 348 2HG2 VAL 44 2HG2 VAL 44 1.216 -5.429 3.470 349 3HG2 VAL 44 3HG2 VAL 44 0.877 -3.734 3.127 350 H LYS 45 H LYS 45 4.521 -5.651 6.177 351 HA LYS 45 HA LYS 45 5.010 -4.632 8.836 352 1HB LYS 45 2HB LYS 45 6.884 -5.844 6.789 353 2HB LYS 45 1HB LYS 45 7.353 -5.381 8.418 354 1HG LYS 45 2HG LYS 45 7.019 -7.688 8.523 355 2HG LYS 45 1HG LYS 45 5.557 -6.999 9.226 356 1HD LYS 45 2HD LYS 45 4.410 -7.290 7.068 357 2HD LYS 45 1HD LYS 45 5.872 -8.014 6.402 358 1HE LYS 45 2HE LYS 45 4.224 -9.085 8.689 359 2HE LYS 45 1HE LYS 45 4.281 -9.734 7.050 360 1HZ LYS 45 1HZ LYS 45 5.692 -11.071 8.352 361 2HZ LYS 45 2HZ LYS 45 6.435 -9.736 9.088 362 3HZ LYS 45 3HZ LYS 45 6.733 -10.073 7.454 363 H ARG 46 H ARG 46 6.170 -2.825 9.361 364 HA ARG 46 HA ARG 46 6.037 -0.732 7.392 365 1HB ARG 46 2HB ARG 46 5.325 -0.449 9.775 366 2HB ARG 46 1HB ARG 46 7.017 -0.573 10.242 367 1HG ARG 46 2HG ARG 46 7.446 1.396 8.717 368 2HG ARG 46 1HG ARG 46 5.692 1.587 8.632 369 1HD ARG 46 2HD ARG 46 6.511 3.041 10.342 370 2HD ARG 46 1HD ARG 46 5.657 1.708 11.121 371 HE ARG 46 HE ARG 46 8.075 0.753 11.283 372 1HH1 ARG 46 1HH1 ARG 46 7.066 4.068 11.774 373 2HH1 ARG 46 2HH1 ARG 46 8.415 4.466 12.791 374 1HH2 ARG 46 1HH2 ARG 46 9.825 1.246 12.631 375 2HH2 ARG 46 2HH2 ARG 46 9.990 2.848 13.296 376 H ARG 47 H ARG 47 7.639 -0.379 6.003 377 HA ARG 47 HA ARG 47 10.283 0.118 7.090 378 1HB ARG 47 2HB ARG 47 9.699 -2.130 5.304 379 2HB ARG 47 1HB ARG 47 10.948 -1.062 4.681 380 1HG ARG 47 2HG ARG 47 12.063 -1.299 6.958 381 2HG ARG 47 1HG ARG 47 10.945 -2.638 7.233 382 1HD ARG 47 2HD ARG 47 11.779 -3.758 5.234 383 2HD ARG 47 1HD ARG 47 12.873 -2.413 4.923 384 HE ARG 47 HE ARG 47 13.087 -4.053 7.361 385 1HH1 ARG 47 1HH1 ARG 47 14.537 -2.506 4.576 386 2HH1 ARG 47 2HH1 ARG 47 16.129 -3.105 4.914 387 1HH2 ARG 47 1HH2 ARG 47 15.180 -4.837 7.819 388 2HH2 ARG 47 2HH2 ARG 47 16.498 -4.440 6.749 389 H ARG 48 H ARG 48 11.474 1.611 5.879 390 HA ARG 48 HA ARG 48 9.947 2.970 3.762 391 1HB ARG 48 2HB ARG 48 12.290 3.979 5.391 392 2HB ARG 48 1HB ARG 48 11.392 4.907 4.197 393 1HG ARG 48 2HG ARG 48 9.387 4.763 5.569 394 2HG ARG 48 1HG ARG 48 10.260 3.790 6.755 395 1HD ARG 48 2HD ARG 48 10.875 6.634 5.970 396 2HD ARG 48 1HD ARG 48 10.119 6.107 7.472 397 HE ARG 48 HE ARG 48 12.430 4.764 7.538 398 1HH1 ARG 48 1HH1 ARG 48 11.737 8.115 6.855 399 2HH1 ARG 48 2HH1 ARG 48 13.249 8.704 7.462 400 1HH2 ARG 48 1HH2 ARG 48 14.442 5.513 8.341 401 2HH2 ARG 48 2HH2 ARG 48 14.792 7.223 8.313 402 H VAL 49 H VAL 49 10.610 2.728 1.733 403 HA VAL 49 HA VAL 49 13.386 1.898 1.251 404 HB VAL 49 HB VAL 49 12.573 0.362 -0.536 405 1HG1 VAL 49 1HG1 VAL 49 11.645 -0.254 2.267 406 2HG1 VAL 49 2HG1 VAL 49 13.257 -0.534 1.606 407 3HG1 VAL 49 3HG1 VAL 49 11.879 -1.445 0.986 408 1HG2 VAL 49 1HG2 VAL 49 10.365 1.339 -0.883 409 2HG2 VAL 49 2HG2 VAL 49 9.875 0.828 0.732 410 3HG2 VAL 49 3HG2 VAL 49 10.242 -0.378 -0.500 411 H ASN 50 H ASN 50 13.746 1.885 -1.247 412 HA ASN 50 HA ASN 50 13.291 4.574 -2.138 413 1HB ASN 50 2HB ASN 50 14.559 2.266 -3.633 414 2HB ASN 50 1HB ASN 50 14.695 3.976 -4.033 415 1HD2 ASN 50 1HD2 ASN 50 15.983 5.308 -2.757 416 2HD2 ASN 50 2HD2 ASN 50 17.179 4.664 -1.685 417 H ILE 51 H ILE 51 11.783 5.287 -3.503 418 HA ILE 51 HA ILE 51 9.583 3.581 -4.083 419 HB ILE 51 HB ILE 51 8.646 5.621 -5.220 420 1HG1 ILE 51 2HG1 ILE 51 9.851 7.785 -4.491 421 2HG1 ILE 51 1HG1 ILE 51 11.279 6.778 -4.320 422 1HG2 ILE 51 1HG2 ILE 51 9.570 5.882 -2.372 423 2HG2 ILE 51 2HG2 ILE 51 8.121 5.050 -2.935 424 3HG2 ILE 51 3HG2 ILE 51 8.261 6.797 -3.113 425 1HD1 ILE 51 1HD1 ILE 51 11.122 6.177 -6.688 426 2HD1 ILE 51 2HD1 ILE 51 11.263 7.917 -6.453 427 3HD1 ILE 51 3HD1 ILE 51 9.700 7.205 -6.845 428 H LEU 52 H LEU 52 12.420 3.873 -5.704 429 HA LEU 52 HA LEU 52 11.622 4.155 -8.388 430 1HB LEU 52 2HB LEU 52 14.027 2.768 -7.214 431 2HB LEU 52 1HB LEU 52 13.819 3.116 -8.920 432 HG LEU 52 HG LEU 52 14.026 5.165 -6.712 433 1HD1 LEU 52 1HD1 LEU 52 16.144 4.051 -7.210 434 2HD1 LEU 52 2HD1 LEU 52 16.157 5.734 -7.740 435 3HD1 LEU 52 3HD1 LEU 52 15.946 4.440 -8.921 436 1HD2 LEU 52 1HD2 LEU 52 14.090 6.804 -8.536 437 2HD2 LEU 52 2HD2 LEU 52 12.557 5.935 -8.489 438 3HD2 LEU 52 3HD2 LEU 52 13.771 5.515 -9.697 439 H HIS 53 H HIS 53 11.360 1.474 -6.237 440 HA HIS 53 HA HIS 53 10.621 -0.230 -8.525 441 1HB HIS 53 2HB HIS 53 11.838 -0.986 -5.872 442 2HB HIS 53 1HB HIS 53 11.067 -2.163 -6.931 443 HD1 HIS 53 HD1 HIS 53 14.205 -0.372 -6.375 444 HD2 HIS 53 HD2 HIS 53 12.396 -2.458 -9.484 445 HE1 HIS 53 HE1 HIS 53 16.046 -0.870 -8.022 446 HE2 HIS 53 HE2 HIS 53 14.876 -1.922 -9.996 447 H LEU 54 H LEU 54 9.083 1.723 -6.816 448 HA LEU 54 HA LEU 54 6.885 -0.138 -6.188 449 1HB LEU 54 2HB LEU 54 7.592 2.520 -4.947 450 2HB LEU 54 1HB LEU 54 5.983 1.844 -4.823 451 HG LEU 54 HG LEU 54 7.094 1.340 -2.799 452 1HD1 LEU 54 1HD1 LEU 54 7.135 -1.114 -4.549 453 2HD1 LEU 54 2HD1 LEU 54 5.748 -0.480 -3.661 454 3HD1 LEU 54 3HD1 LEU 54 7.145 -1.109 -2.786 455 1HD2 LEU 54 1HD2 LEU 54 9.385 1.715 -3.500 456 2HD2 LEU 54 2HD2 LEU 54 9.359 0.223 -4.443 457 3HD2 LEU 54 3HD2 LEU 54 9.232 0.157 -2.685 458 H GLU 55 H GLU 55 5.160 0.033 -7.490 459 HA GLU 55 HA GLU 55 4.890 2.500 -9.054 460 1HB GLU 55 2HB GLU 55 4.338 -0.344 -9.903 461 2HB GLU 55 1HB GLU 55 3.894 1.070 -10.849 462 1HG GLU 55 2HG GLU 55 6.296 1.723 -10.885 463 2HG GLU 55 1HG GLU 55 6.670 0.201 -10.083 464 HA PRO 56 HA PRO 56 1.019 2.836 -7.016 465 1HB PRO 56 2HB PRO 56 0.167 4.740 -9.040 466 2HB PRO 56 1HB PRO 56 0.616 5.033 -7.359 467 1HG PRO 56 2HG PRO 56 2.117 5.867 -9.466 468 2HG PRO 56 1HG PRO 56 2.808 5.455 -7.886 469 1HD PRO 56 2HD PRO 56 2.707 3.826 -10.395 470 2HD PRO 56 1HD PRO 56 4.028 4.018 -9.224 471 H THR 57 H THR 57 -1.165 2.381 -7.210 472 HA THR 57 HA THR 57 -1.897 0.772 -9.527 473 HB THR 57 HB THR 57 -3.908 0.199 -8.107 474 HG1 THR 57 HG1 THR 57 -2.414 1.492 -6.047 475 1HG2 THR 57 1HG2 THR 57 -2.650 -1.263 -6.587 476 2HG2 THR 57 2HG2 THR 57 -1.179 -0.353 -6.930 477 3HG2 THR 57 3HG2 THR 57 -1.967 -1.276 -8.211 478 H ASP 58 H ASP 58 -4.619 1.004 -9.575 479 HA ASP 58 HA ASP 58 -4.956 3.224 -11.260 480 1HB ASP 58 2HB ASP 58 -7.001 1.449 -9.928 481 2HB ASP 58 1HB ASP 58 -7.411 2.673 -11.121 482 H LYS 59 H LYS 59 -6.212 2.680 -7.971 483 HA LYS 59 HA LYS 59 -7.207 5.446 -8.042 484 1HB LYS 59 2HB LYS 59 -8.367 3.062 -6.595 485 2HB LYS 59 1HB LYS 59 -9.006 4.702 -6.535 486 1HG LYS 59 2HG LYS 59 -9.444 4.635 -8.927 487 2HG LYS 59 1HG LYS 59 -8.768 3.011 -9.014 488 1HD LYS 59 2HD LYS 59 -10.530 2.201 -7.522 489 2HD LYS 59 1HD LYS 59 -11.208 3.832 -7.443 490 1HE LYS 59 2HE LYS 59 -11.596 3.795 -9.849 491 2HE LYS 59 1HE LYS 59 -10.891 2.183 -9.949 492 1HZ LYS 59 1HZ LYS 59 -13.304 2.122 -9.940 493 2HZ LYS 59 2HZ LYS 59 -13.344 2.898 -8.433 494 3HZ LYS 59 3HZ LYS 59 -12.682 1.344 -8.568 495 H LYS 60 H LYS 60 -7.564 6.423 -5.904 496 HA LYS 60 HA LYS 60 -5.653 5.617 -3.849 497 1HB LYS 60 2HB LYS 60 -5.023 8.066 -3.659 498 2HB LYS 60 1HB LYS 60 -4.387 7.235 -5.072 499 1HG LYS 60 2HG LYS 60 -5.852 8.314 -6.511 500 2HG LYS 60 1HG LYS 60 -6.960 8.753 -5.216 501 1HD LYS 60 2HD LYS 60 -4.175 9.873 -5.460 502 2HD LYS 60 1HD LYS 60 -5.597 10.644 -6.169 503 1HE LYS 60 2HE LYS 60 -6.598 10.538 -3.817 504 2HE LYS 60 1HE LYS 60 -4.957 10.190 -3.270 505 1HZ LYS 60 1HZ LYS 60 -5.796 12.596 -4.794 506 2HZ LYS 60 2HZ LYS 60 -4.217 12.264 -4.264 507 3HZ LYS 60 3HZ LYS 60 -5.452 12.555 -3.132 508 H ILE 61 H ILE 61 -6.152 6.478 -1.777 509 HA ILE 61 HA ILE 61 -8.793 7.766 -1.557 510 HB ILE 61 HB ILE 61 -8.649 7.202 0.886 511 1HG1 ILE 61 2HG1 ILE 61 -6.334 5.464 0.003 512 2HG1 ILE 61 1HG1 ILE 61 -6.202 6.900 1.013 513 1HG2 ILE 61 1HG2 ILE 61 -8.573 4.866 -1.018 514 2HG2 ILE 61 2HG2 ILE 61 -9.976 5.878 -0.671 515 3HG2 ILE 61 3HG2 ILE 61 -9.285 4.864 0.596 516 1HD1 ILE 61 1HD1 ILE 61 -7.624 4.345 1.714 517 2HD1 ILE 61 2HD1 ILE 61 -7.576 5.794 2.720 518 3HD1 ILE 61 3HD1 ILE 61 -6.088 4.916 2.367 519 H ASP 62 H ASP 62 -8.823 9.886 -1.063 520 HA ASP 62 HA ASP 62 -6.273 11.199 -0.890 521 1HB ASP 62 2HB ASP 62 -8.256 12.022 -2.258 522 2HB ASP 62 1HB ASP 62 -8.962 12.547 -0.730 523 H ILE 63 H ILE 63 -5.310 11.036 1.011 524 HA ILE 63 HA ILE 63 -6.797 11.886 3.404 525 HB ILE 63 HB ILE 63 -5.219 10.492 4.723 526 1HG1 ILE 63 2HG1 ILE 63 -4.395 9.399 2.017 527 2HG1 ILE 63 1HG1 ILE 63 -3.393 10.410 3.053 528 1HG2 ILE 63 1HG2 ILE 63 -6.850 9.009 2.666 529 2HG2 ILE 63 2HG2 ILE 63 -7.433 9.653 4.201 530 3HG2 ILE 63 3HG2 ILE 63 -6.263 8.333 4.185 531 1HD1 ILE 63 1HD1 ILE 63 -4.415 7.665 3.744 532 2HD1 ILE 63 2HD1 ILE 63 -3.372 8.672 4.748 533 3HD1 ILE 63 3HD1 ILE 63 -2.782 8.053 3.205 534 H GLN 64 H GLN 64 -4.980 12.393 5.186 535 HA GLN 64 HA GLN 64 -3.465 14.609 4.093 536 1HB GLN 64 2HB GLN 64 -3.718 13.660 6.957 537 2HB GLN 64 1HB GLN 64 -3.001 15.176 6.431 538 1HG GLN 64 2HG GLN 64 -5.881 14.412 6.003 539 2HG GLN 64 1HG GLN 64 -5.291 15.405 7.334 540 1HE2 GLN 64 1HE2 GLN 64 -6.541 17.139 6.722 541 2HE2 GLN 64 2HE2 GLN 64 -6.164 18.110 5.335 542 H LYS 65 H LYS 65 -1.211 14.845 4.300 543 HA LYS 65 HA LYS 65 0.285 12.480 3.888 544 1HB LYS 65 2HB LYS 65 0.820 14.823 3.026 545 2HB LYS 65 1HB LYS 65 1.441 15.169 4.634 546 1HG LYS 65 2HG LYS 65 3.045 13.312 4.380 547 2HG LYS 65 1HG LYS 65 2.452 13.064 2.736 548 1HD LYS 65 2HD LYS 65 4.362 14.378 2.453 549 2HD LYS 65 1HD LYS 65 3.032 15.532 2.361 550 1HE LYS 65 2HE LYS 65 4.740 16.482 3.737 551 2HE LYS 65 1HE LYS 65 3.388 16.032 4.776 552 1HZ LYS 65 1HZ LYS 65 5.894 14.475 4.406 553 2HZ LYS 65 2HZ LYS 65 4.588 13.999 5.375 554 3HZ LYS 65 3HZ LYS 65 5.480 15.389 5.775 555 HN2 GLY 66 H GLY 66 0.680 11.042 5.436 556 1HA GLY 66 2HA GLY 66 1.838 10.339 7.375 557 2HA GLY 66 1HA GLY 66 1.769 11.987 7.983 558 H ALA 67 H ALA 67 -0.807 9.887 6.768 559 HA ALA 67 HA ALA 67 -2.468 10.559 9.032 560 1HB ALA 67 1HB ALA 67 -3.451 10.460 6.810 561 2HB ALA 67 2HB ALA 67 -4.196 9.262 7.869 562 3HB ALA 67 3HB ALA 67 -3.005 8.761 6.670 563 H SER 68 H SER 68 -3.819 8.637 9.945 564 HA SER 68 HA SER 68 -1.877 6.623 10.848 565 1HB SER 68 2HB SER 68 -4.440 7.571 12.150 566 2HB SER 68 1HB SER 68 -3.333 6.369 12.820 567 HG SER 68 HG SER 68 -2.180 8.782 12.080 568 H ASP 69 H ASP 69 -2.860 4.513 11.483 569 HA ASP 69 HA ASP 69 -3.829 3.098 9.339 570 1HB ASP 69 2HB ASP 69 -2.793 1.891 11.064 571 2HB ASP 69 1HB ASP 69 -3.833 2.581 12.301 572 H GLU 70 H GLU 70 -5.709 4.436 12.033 573 HA GLU 70 HA GLU 70 -8.149 3.219 11.414 574 1HB GLU 70 2HB GLU 70 -7.268 4.696 13.474 575 2HB GLU 70 1HB GLU 70 -8.211 5.916 12.636 576 1HG GLU 70 2HG GLU 70 -9.631 4.926 14.251 577 2HG GLU 70 1HG GLU 70 -10.146 4.331 12.673 578 H GLU 71 H GLU 71 -6.812 6.346 10.389 579 HA GLU 71 HA GLU 71 -9.174 7.265 9.109 580 1HB GLU 71 2HB GLU 71 -7.368 8.788 9.792 581 2HB GLU 71 1HB GLU 71 -6.291 8.050 8.617 582 1HG GLU 71 2HG GLU 71 -7.070 10.109 7.725 583 2HG GLU 71 1HG GLU 71 -7.830 8.801 6.821 584 H VAL 72 H VAL 72 -6.212 5.747 7.856 585 HA VAL 72 HA VAL 72 -6.927 5.616 5.158 586 HB VAL 72 HB VAL 72 -5.264 3.645 6.745 587 1HG1 VAL 72 1HG1 VAL 72 -4.244 3.052 4.606 588 2HG1 VAL 72 2HG1 VAL 72 -5.331 4.162 3.769 589 3HG1 VAL 72 3HG1 VAL 72 -5.981 2.734 4.576 590 1HG2 VAL 72 1HG2 VAL 72 -3.342 4.935 5.926 591 2HG2 VAL 72 2HG2 VAL 72 -4.408 5.923 6.921 592 3HG2 VAL 72 3HG2 VAL 72 -4.442 6.082 5.167 593 H LYS 73 H LYS 73 -7.409 3.310 7.765 594 HA LYS 73 HA LYS 73 -8.695 1.248 6.411 595 1HB LYS 73 2HB LYS 73 -7.818 1.156 8.691 596 2HB LYS 73 1HB LYS 73 -9.055 2.272 9.231 597 1HG LYS 73 2HG LYS 73 -10.756 0.543 8.587 598 2HG LYS 73 1HG LYS 73 -9.409 -0.571 8.327 599 1HD LYS 73 2HD LYS 73 -10.203 0.798 10.892 600 2HD LYS 73 1HD LYS 73 -10.188 -0.933 10.552 601 1HE LYS 73 2HE LYS 73 -7.839 -1.024 10.548 602 2HE LYS 73 1HE LYS 73 -7.687 0.724 10.407 603 1HZ LYS 73 1HZ LYS 73 -8.823 0.742 12.695 604 2HZ LYS 73 2HZ LYS 73 -7.179 0.336 12.583 605 3HZ LYS 73 3HZ LYS 73 -8.336 -0.890 12.777 606 H LYS 74 H LYS 74 -10.097 4.048 8.113 607 HA LYS 74 HA LYS 74 -12.775 3.348 7.553 608 1HB LYS 74 2HB LYS 74 -11.866 5.064 9.272 609 2HB LYS 74 1HB LYS 74 -11.906 6.198 7.929 610 1HG LYS 74 2HG LYS 74 -14.319 5.516 7.606 611 2HG LYS 74 1HG LYS 74 -14.199 4.715 9.171 612 1HD LYS 74 2HD LYS 74 -13.502 6.903 10.148 613 2HD LYS 74 1HD LYS 74 -13.847 7.651 8.585 614 1HE LYS 74 2HE LYS 74 -15.755 6.320 10.491 615 2HE LYS 74 1HE LYS 74 -15.791 7.976 9.885 616 1HZ LYS 74 1HZ LYS 74 -16.268 5.530 8.272 617 2HZ LYS 74 2HZ LYS 74 -16.311 7.121 7.677 618 3HZ LYS 74 3HZ LYS 74 -17.463 6.598 8.810 619 H LYS 75 H LYS 75 -10.476 5.484 5.929 620 HA LYS 75 HA LYS 75 -12.208 6.517 3.981 621 1HB LYS 75 2HB LYS 75 -9.468 6.693 4.579 622 2HB LYS 75 1HB LYS 75 -9.547 6.106 2.924 623 1HG LYS 75 2HG LYS 75 -9.469 8.408 2.680 624 2HG LYS 75 1HG LYS 75 -11.185 8.045 2.522 625 1HD LYS 75 2HD LYS 75 -9.884 8.924 5.100 626 2HD LYS 75 1HD LYS 75 -10.642 10.033 3.958 627 1HE LYS 75 2HE LYS 75 -12.780 8.943 4.261 628 2HE LYS 75 1HE LYS 75 -12.045 7.720 5.296 629 1HZ LYS 75 1HZ LYS 75 -13.137 9.372 6.626 630 2HZ LYS 75 2HZ LYS 75 -12.271 10.623 5.892 631 3HZ LYS 75 3HZ LYS 75 -11.463 9.488 6.870 632 H LEU 76 H LEU 76 -10.248 3.581 4.009 633 HA LEU 76 HA LEU 76 -10.766 2.705 1.405 634 1HB LEU 76 2HB LEU 76 -10.121 1.286 3.974 635 2HB LEU 76 1HB LEU 76 -10.363 0.402 2.485 636 HG LEU 76 HG LEU 76 -8.256 2.514 2.947 637 1HD1 LEU 76 1HD1 LEU 76 -7.807 0.463 4.184 638 2HD1 LEU 76 2HD1 LEU 76 -6.679 0.652 2.839 639 3HD1 LEU 76 3HD1 LEU 76 -8.026 -0.482 2.709 640 1HD2 LEU 76 1HD2 LEU 76 -9.012 2.460 0.629 641 2HD2 LEU 76 2HD2 LEU 76 -8.746 0.718 0.578 642 3HD2 LEU 76 3HD2 LEU 76 -7.379 1.811 0.780 643 H GLU 77 H GLU 77 -12.424 1.934 4.451 644 HA GLU 77 HA GLU 77 -14.471 0.342 3.372 645 1HB GLU 77 2HB GLU 77 -13.957 0.431 5.764 646 2HB GLU 77 1HB GLU 77 -14.479 2.103 5.833 647 1HG GLU 77 2HG GLU 77 -16.748 1.357 5.154 648 2HG GLU 77 1HG GLU 77 -16.187 -0.309 5.294 649 H GLU 78 H GLU 78 -14.371 3.757 4.186 650 HA GLU 78 HA GLU 78 -17.020 4.419 3.662 651 1HB GLU 78 2HB GLU 78 -15.049 5.678 4.831 652 2HB GLU 78 1HB GLU 78 -14.769 6.349 3.234 653 1HG GLU 78 2HG GLU 78 -16.864 7.428 3.217 654 2HG GLU 78 1HG GLU 78 -17.422 6.519 4.624 655 H SER 79 H SER 79 -14.226 4.364 1.491 656 HA SER 79 HA SER 79 -15.829 5.413 -0.691 657 1HB SER 79 2HB SER 79 -12.927 4.570 -0.658 658 2HB SER 79 1HB SER 79 -13.735 5.535 -1.885 659 HG SER 79 HG SER 79 -13.066 6.236 0.758 660 H ASN 80 H ASN 80 -15.401 2.473 0.672 661 HA ASN 80 HA ASN 80 -15.756 0.325 0.068 662 1HB ASN 80 2HB ASN 80 -16.860 1.577 -2.453 663 2HB ASN 80 1HB ASN 80 -16.971 -0.135 -2.070 664 1HD2 ASN 80 1HD2 ASN 80 -17.336 0.597 0.843 665 2HD2 ASN 80 2HD2 ASN 80 -18.991 1.074 0.949 666 H LEU 81 H LEU 81 -13.224 1.676 -0.564 667 HA LEU 81 HA LEU 81 -12.275 0.272 -2.936 668 1HB LEU 81 2HB LEU 81 -11.246 2.421 -1.195 669 2HB LEU 81 1HB LEU 81 -10.035 1.336 -1.849 670 HG LEU 81 HG LEU 81 -10.251 3.289 -3.262 671 1HD1 LEU 81 1HD1 LEU 81 -9.710 1.204 -4.359 672 2HD1 LEU 81 2HD1 LEU 81 -10.730 2.193 -5.407 673 3HD1 LEU 81 3HD1 LEU 81 -11.425 0.823 -4.538 674 1HD2 LEU 81 1HD2 LEU 81 -13.142 2.496 -3.601 675 2HD2 LEU 81 2HD2 LEU 81 -12.315 3.799 -4.456 676 3HD2 LEU 81 3HD2 LEU 81 -12.552 3.899 -2.711 677 H THR 82 H THR 82 -13.075 -0.846 -0.153 678 HA THR 82 HA THR 82 -10.869 -2.036 1.058 679 HB THR 82 HB THR 82 -13.601 -3.309 0.888 680 HG1 THR 82 HG1 THR 82 -13.453 -1.790 3.034 681 1HG2 THR 82 1HG2 THR 82 -13.071 -4.015 3.185 682 2HG2 THR 82 2HG2 THR 82 -11.497 -3.230 3.056 683 3HG2 THR 82 3HG2 THR 82 -11.881 -4.612 2.029 684 H GLU 83 H GLU 83 -12.903 -3.149 -1.626 685 HA GLU 83 HA GLU 83 -11.938 -5.761 -1.837 686 1HB GLU 83 2HB GLU 83 -12.998 -3.926 -3.992 687 2HB GLU 83 1HB GLU 83 -12.840 -5.666 -4.122 688 1HG GLU 83 2HG GLU 83 -14.570 -4.275 -2.105 689 2HG GLU 83 1HG GLU 83 -15.142 -4.881 -3.658 690 H TYR 84 H TYR 84 -10.978 -2.796 -3.530 691 HA TYR 84 HA TYR 84 -9.073 -4.013 -5.212 692 1HB TYR 84 2HB TYR 84 -10.221 -1.797 -5.560 693 2HB TYR 84 1HB TYR 84 -9.152 -1.120 -4.338 694 HD1 TYR 84 HD1 TYR 84 -8.952 -3.073 -7.520 695 HD2 TYR 84 HD2 TYR 84 -7.243 -0.045 -5.071 696 HE1 TYR 84 HE1 TYR 84 -7.299 -2.596 -9.276 697 HE2 TYR 84 HE2 TYR 84 -5.578 0.439 -6.817 698 HH TYR 84 HH TYR 84 -5.846 -0.773 -10.002 699 H MET 85 H MET 85 -8.902 -3.072 -1.907 700 HA MET 85 HA MET 85 -5.976 -2.983 -1.968 701 1HB MET 85 2HB MET 85 -7.597 -1.320 -0.706 702 2HB MET 85 1HB MET 85 -7.555 -2.564 0.534 703 1HG MET 85 2HG MET 85 -5.122 -1.219 -0.621 704 2HG MET 85 1HG MET 85 -5.918 -0.735 0.872 705 1HE MET 85 1HE MET 85 -3.413 -0.940 1.926 706 2HE MET 85 2HE MET 85 -2.775 -1.585 0.415 707 3HE MET 85 3HE MET 85 -2.494 -2.445 1.930 708 H LYS 86 H LYS 86 -8.638 -4.692 -0.355 709 HA LYS 86 HA LYS 86 -7.051 -6.406 1.235 710 1HB LYS 86 2HB LYS 86 -9.510 -5.932 1.529 711 2HB LYS 86 1HB LYS 86 -9.820 -6.958 0.139 712 1HG LYS 86 2HG LYS 86 -10.226 -8.296 2.008 713 2HG LYS 86 1HG LYS 86 -8.642 -8.801 1.415 714 1HD LYS 86 2HD LYS 86 -7.565 -7.409 3.117 715 2HD LYS 86 1HD LYS 86 -9.149 -6.901 3.708 716 1HE LYS 86 2HE LYS 86 -9.665 -9.283 4.191 717 2HE LYS 86 1HE LYS 86 -8.014 -9.694 3.728 718 1HZ LYS 86 1HZ LYS 86 -8.919 -8.084 6.045 719 2HZ LYS 86 2HZ LYS 86 -7.318 -8.034 5.489 720 3HZ LYS 86 3HZ LYS 86 -7.974 -9.496 6.042 721 H GLU 87 H GLU 87 -8.225 -6.609 -2.049 722 HA GLU 87 HA GLU 87 -7.644 -9.316 -2.569 723 1HB GLU 87 2HB GLU 87 -9.085 -7.918 -3.993 724 2HB GLU 87 1HB GLU 87 -7.709 -6.924 -4.429 725 1HG GLU 87 2HG GLU 87 -7.702 -9.850 -5.037 726 2HG GLU 87 1HG GLU 87 -8.576 -8.720 -6.067 727 H LYS 88 H LYS 88 -5.789 -10.342 -3.157 728 HA LYS 88 HA LYS 88 -3.429 -8.747 -3.784 729 1HB LYS 88 2HB LYS 88 -2.072 -10.233 -2.228 730 2HB LYS 88 1HB LYS 88 -3.077 -9.009 -1.468 731 1HG LYS 88 2HG LYS 88 -4.771 -10.737 -0.985 732 2HG LYS 88 1HG LYS 88 -3.699 -11.950 -1.691 733 1HD LYS 88 2HD LYS 88 -1.991 -11.406 -0.017 734 2HD LYS 88 1HD LYS 88 -3.072 -10.202 0.690 735 1HE LYS 88 2HE LYS 88 -3.686 -13.146 0.477 736 2HE LYS 88 1HE LYS 88 -3.026 -12.367 1.913 737 1HZ LYS 88 1HZ LYS 88 -5.658 -11.789 0.652 738 2HZ LYS 88 2HZ LYS 88 -5.022 -10.975 1.999 739 3HZ LYS 88 3HZ LYS 88 -5.402 -12.619 2.108 740 H ILE 89 H ILE 89 -2.449 -9.539 -5.521 741 HA ILE 89 HA ILE 89 -3.165 -12.213 -6.425 742 HB ILE 89 HB ILE 89 -1.912 -11.004 -8.513 743 1HG1 ILE 89 2HG1 ILE 89 -3.098 -8.766 -8.716 744 2HG1 ILE 89 1HG1 ILE 89 -3.376 -8.873 -6.981 745 1HG2 ILE 89 1HG2 ILE 89 -4.172 -10.703 -9.457 746 2HG2 ILE 89 2HG2 ILE 89 -4.841 -11.008 -7.853 747 3HG2 ILE 89 3HG2 ILE 89 -3.938 -12.272 -8.690 748 1HD1 ILE 89 1HD1 ILE 89 -1.447 -7.493 -7.491 749 2HD1 ILE 89 2HD1 ILE 89 -0.692 -8.838 -8.346 750 3HD1 ILE 89 3HD1 ILE 89 -0.964 -8.940 -6.606 751 H LYS 90 H LYS 90 -1.536 -13.456 -7.566 752 HA LYS 90 HA LYS 90 0.468 -14.491 -7.747 753 1HB LYS 90 2HB LYS 90 1.356 -11.622 -7.608 754 2HB LYS 90 1HB LYS 90 2.524 -12.926 -7.733 755 1HG LYS 90 2HG LYS 90 2.100 -12.012 -9.913 756 2HG LYS 90 1HG LYS 90 1.449 -13.647 -9.834 757 1HD LYS 90 2HD LYS 90 -0.791 -12.767 -9.510 758 2HD LYS 90 1HD LYS 90 -0.161 -11.119 -9.500 759 1HE LYS 90 2HE LYS 90 0.078 -13.028 -11.820 760 2HE LYS 90 1HE LYS 90 -1.182 -11.805 -11.663 761 1HZ LYS 90 1HZ LYS 90 0.610 -11.014 -13.056 762 2HZ LYS 90 2HZ LYS 90 1.743 -11.279 -11.821 763 3HZ LYS 90 3HZ LYS 90 0.540 -10.098 -11.631 764 H ILE 91 H ILE 91 -0.304 -15.266 -5.546 765 HA ILE 91 HA ILE 91 1.296 -14.371 -3.299 766 HB ILE 91 HB ILE 91 -0.674 -16.664 -3.461 767 1HG1 ILE 91 2HG1 ILE 91 -2.025 -15.005 -1.965 768 2HG1 ILE 91 1HG1 ILE 91 -0.998 -13.776 -2.691 769 1HG2 ILE 91 1HG2 ILE 91 -0.644 -16.568 -1.004 770 2HG2 ILE 91 2HG2 ILE 91 0.642 -15.366 -1.086 771 3HG2 ILE 91 3HG2 ILE 91 0.921 -16.999 -1.689 772 1HD1 ILE 91 1HD1 ILE 91 -3.137 -13.979 -3.842 773 2HD1 ILE 91 2HD1 ILE 91 -2.788 -15.672 -4.191 774 3HD1 ILE 91 3HD1 ILE 91 -1.792 -14.403 -4.901 775 H ARG 92 H ARG 92 3.242 -15.174 -2.876 776 HA ARG 92 HA ARG 92 4.243 -17.456 -4.300 777 1HB ARG 92 2HB ARG 92 5.712 -15.546 -3.753 778 2HB ARG 92 1HB ARG 92 5.503 -15.885 -2.038 779 1HG ARG 92 2HG ARG 92 6.543 -18.088 -2.365 780 2HG ARG 92 1HG ARG 92 6.805 -17.694 -4.065 781 1HD ARG 92 2HD ARG 92 8.214 -15.806 -3.406 782 2HD ARG 92 1HD ARG 92 7.943 -16.196 -1.707 783 HE ARG 92 HE ARG 92 9.154 -18.220 -3.459 784 1HH1 ARG 92 1HH1 ARG 92 9.456 -15.944 -0.798 785 2HH1 ARG 92 2HH1 ARG 92 10.951 -16.625 -0.227 786 1HH2 ARG 92 1HH2 ARG 92 11.124 -19.107 -2.711 787 2HH2 ARG 92 2HH2 ARG 92 11.890 -18.432 -1.303 788 H MET 93 H MET 93 4.247 -19.488 -3.676 789 HA MET 93 HA MET 93 4.038 -21.385 -2.473 790 1HB MET 93 2HB MET 93 4.490 -19.605 -0.072 791 2HB MET 93 1HB MET 93 4.441 -21.363 -0.024 792 1HG MET 93 2HG MET 93 6.448 -19.655 -1.481 793 2HG MET 93 1HG MET 93 6.720 -20.592 -0.017 794 1HE MET 93 1HE MET 93 8.845 -22.548 -2.617 795 2HE MET 93 2HE MET 93 8.820 -21.800 -1.019 796 3HE MET 93 3HE MET 93 8.642 -20.803 -2.460 797 HA PRO 94 HA PRO 94 -0.432 -21.019 -1.898 798 1HB PRO 94 2HB PRO 94 -0.156 -23.968 -1.981 799 2HB PRO 94 1HB PRO 94 -1.199 -22.905 -2.933 800 1HG PRO 94 2HG PRO 94 0.943 -24.073 -4.023 801 2HG PRO 94 1HG PRO 94 0.463 -22.425 -4.466 802 1HD PRO 94 2HD PRO 94 2.657 -23.334 -2.645 803 2HD PRO 94 1HD PRO 94 2.648 -22.007 -3.824 804 H THR 95 H THR 95 -1.491 -20.981 -0.009 805 HA THR 95 HA THR 95 -0.207 -21.695 2.398 806 HB THR 95 HB THR 95 -3.143 -21.082 2.075 807 HG1 THR 95 HG1 THR 95 -1.423 -18.996 2.688 808 1HG2 THR 95 1HG2 THR 95 -1.194 -20.595 4.333 809 2HG2 THR 95 2HG2 THR 95 -2.476 -21.806 4.309 810 3HG2 THR 95 3HG2 THR 95 -2.884 -20.089 4.314 811 H LEU 96 H LEU 96 -2.383 -23.337 0.315 812 HA LEU 96 HA LEU 96 -2.581 -25.554 2.235 813 1HB LEU 96 2HB LEU 96 -4.442 -24.808 -0.022 814 2HB LEU 96 1HB LEU 96 -4.583 -26.271 0.935 815 HG LEU 96 HG LEU 96 -4.835 -23.457 2.005 816 1HD1 LEU 96 1HD1 LEU 96 -7.202 -24.048 2.303 817 2HD1 LEU 96 2HD1 LEU 96 -6.914 -25.574 1.464 818 3HD1 LEU 96 3HD1 LEU 96 -6.722 -24.043 0.605 819 1HD2 LEU 96 1HD2 LEU 96 -3.925 -24.995 3.659 820 2HD2 LEU 96 2HD2 LEU 96 -5.239 -26.131 3.344 821 3HD2 LEU 96 3HD2 LEU 96 -5.586 -24.556 4.060 Start of MODEL 17 1 1H MET 1 1H MET 1 -2.116 6.521 -14.162 2 2H MET 1 2H MET 1 -1.866 7.504 -15.517 3 3H MET 1 3H MET 1 -1.651 8.133 -13.960 4 HA MET 1 HA MET 1 -0.033 5.949 -15.126 5 1HB MET 1 2HB MET 1 1.731 7.544 -15.463 6 2HB MET 1 1HB MET 1 0.290 8.187 -16.236 7 1HG MET 1 2HG MET 1 -0.079 9.680 -14.359 8 2HG MET 1 1HG MET 1 1.320 9.002 -13.529 9 1HE MET 1 1HE MET 1 0.888 9.903 -17.366 10 2HE MET 1 2HE MET 1 1.528 11.546 -17.376 11 3HE MET 1 3HE MET 1 0.041 11.184 -16.500 12 HA PRO 2 HA PRO 2 1.486 5.283 -10.978 13 1HB PRO 2 2HB PRO 2 4.190 5.103 -11.454 14 2HB PRO 2 1HB PRO 2 3.049 3.776 -11.694 15 1HG PRO 2 2HG PRO 2 4.193 5.677 -13.696 16 2HG PRO 2 1HG PRO 2 3.913 3.931 -13.841 17 1HD PRO 2 2HD PRO 2 2.257 5.715 -14.963 18 2HD PRO 2 1HD PRO 2 1.649 4.205 -14.253 19 H ALA 3 H ALA 3 1.261 7.062 -9.752 20 HA ALA 3 HA ALA 3 3.144 9.282 -10.147 21 1HB ALA 3 1HB ALA 3 0.303 9.443 -9.145 22 2HB ALA 3 2HB ALA 3 0.846 9.867 -10.768 23 3HB ALA 3 3HB ALA 3 1.408 10.799 -9.382 24 H ILE 4 H ILE 4 4.200 10.070 -8.413 25 HA ILE 4 HA ILE 4 4.091 8.483 -5.985 26 HB ILE 4 HB ILE 4 5.962 10.767 -6.685 27 1HG1 ILE 4 2HG1 ILE 4 7.639 8.793 -6.755 28 2HG1 ILE 4 1HG1 ILE 4 6.216 7.778 -6.943 29 1HG2 ILE 4 1HG2 ILE 4 6.037 8.804 -4.400 30 2HG2 ILE 4 2HG2 ILE 4 5.711 10.533 -4.292 31 3HG2 ILE 4 3HG2 ILE 4 7.306 9.964 -4.790 32 1HD1 ILE 4 1HD1 ILE 4 5.612 9.010 -8.967 33 2HD1 ILE 4 2HD1 ILE 4 7.214 8.284 -9.092 34 3HD1 ILE 4 3HD1 ILE 4 7.050 10.012 -8.778 35 H GLU 5 H GLU 5 2.217 9.064 -4.978 36 HA GLU 5 HA GLU 5 2.022 11.840 -4.035 37 1HB GLU 5 2HB GLU 5 -0.234 10.159 -5.158 38 2HB GLU 5 1HB GLU 5 -0.436 11.720 -4.379 39 1HG GLU 5 2HG GLU 5 1.211 11.298 -6.853 40 2HG GLU 5 1HG GLU 5 -0.492 11.753 -6.871 41 H VAL 6 H VAL 6 0.868 12.084 -2.040 42 HA VAL 6 HA VAL 6 1.024 9.812 -0.289 43 HB VAL 6 HB VAL 6 -0.008 11.351 1.414 44 1HG1 VAL 6 1HG1 VAL 6 2.438 12.350 -0.039 45 2HG1 VAL 6 2HG1 VAL 6 2.396 11.136 1.239 46 3HG1 VAL 6 3HG1 VAL 6 1.970 12.809 1.598 47 1HG2 VAL 6 1HG2 VAL 6 -0.146 13.747 0.868 48 2HG2 VAL 6 2HG2 VAL 6 -1.294 12.789 -0.067 49 3HG2 VAL 6 3HG2 VAL 6 0.190 13.372 -0.822 50 HN2 GLY 7 H GLY 7 -0.513 8.385 0.134 51 1HA GLY 7 2HA GLY 7 -2.712 7.591 0.400 52 2HA GLY 7 1HA GLY 7 -3.307 9.014 -0.443 53 H ARG 8 H ARG 8 -0.725 7.852 -2.135 54 HA ARG 8 HA ARG 8 -2.475 6.685 -4.135 55 1HB ARG 8 2HB ARG 8 -0.760 8.360 -4.763 56 2HB ARG 8 1HB ARG 8 0.494 7.245 -4.241 57 1HG ARG 8 2HG ARG 8 0.293 7.180 -6.630 58 2HG ARG 8 1HG ARG 8 -0.251 5.646 -5.951 59 1HD ARG 8 2HD ARG 8 -1.749 6.350 -7.712 60 2HD ARG 8 1HD ARG 8 -2.579 6.390 -6.159 61 HE ARG 8 HE ARG 8 -2.164 8.856 -6.209 62 1HH1 ARG 8 1HH1 ARG 8 -2.214 7.004 -9.180 63 2HH1 ARG 8 2HH1 ARG 8 -2.741 8.342 -10.160 64 1HH2 ARG 8 1HH2 ARG 8 -2.871 10.610 -7.466 65 2HH2 ARG 8 2HH2 ARG 8 -3.142 10.401 -9.174 66 H ILE 9 H ILE 9 -2.701 4.583 -4.472 67 HA ILE 9 HA ILE 9 -1.369 2.685 -2.787 68 HB ILE 9 HB ILE 9 -3.260 2.228 -5.101 69 1HG1 ILE 9 2HG1 ILE 9 -3.791 2.290 -2.119 70 2HG1 ILE 9 1HG1 ILE 9 -4.221 3.569 -3.252 71 1HG2 ILE 9 1HG2 ILE 9 -2.368 0.353 -2.911 72 2HG2 ILE 9 2HG2 ILE 9 -1.922 0.250 -4.614 73 3HG2 ILE 9 3HG2 ILE 9 -3.599 0.007 -4.124 74 1HD1 ILE 9 1HD1 ILE 9 -5.733 2.050 -4.403 75 2HD1 ILE 9 2HD1 ILE 9 -6.138 2.188 -2.692 76 3HD1 ILE 9 3HD1 ILE 9 -5.294 0.757 -3.287 77 H CYS 10 H CYS 10 0.395 1.528 -3.233 78 HA CYS 10 HA CYS 10 1.387 1.506 -6.006 79 1HB CYS 10 2HB CYS 10 3.015 1.244 -3.474 80 2HB CYS 10 1HB CYS 10 3.635 1.371 -5.117 81 HG CYS 10 HG CYS 10 1.790 3.894 -3.748 82 H VAL 11 H VAL 11 2.107 -0.410 -6.872 83 HA VAL 11 HA VAL 11 1.602 -2.804 -5.244 84 HB VAL 11 HB VAL 11 -0.316 -2.398 -6.735 85 1HG1 VAL 11 1HG1 VAL 11 1.675 -2.723 -8.969 86 2HG1 VAL 11 2HG1 VAL 11 0.827 -1.239 -8.536 87 3HG1 VAL 11 3HG1 VAL 11 -0.077 -2.621 -9.154 88 1HG2 VAL 11 1HG2 VAL 11 0.245 -4.678 -6.114 89 2HG2 VAL 11 2HG2 VAL 11 1.330 -4.803 -7.499 90 3HG2 VAL 11 3HG2 VAL 11 -0.406 -4.619 -7.752 91 H LYS 12 H LYS 12 2.820 -4.617 -5.729 92 HA LYS 12 HA LYS 12 5.368 -4.025 -7.014 93 1HB LYS 12 2HB LYS 12 5.202 -5.069 -4.724 94 2HB LYS 12 1HB LYS 12 4.559 -6.504 -5.496 95 1HG LYS 12 2HG LYS 12 6.892 -6.821 -5.062 96 2HG LYS 12 1HG LYS 12 6.635 -6.709 -6.802 97 1HD LYS 12 2HD LYS 12 7.328 -4.337 -6.714 98 2HD LYS 12 1HD LYS 12 7.660 -4.523 -4.991 99 1HE LYS 12 2HE LYS 12 9.004 -6.006 -7.248 100 2HE LYS 12 1HE LYS 12 9.714 -4.717 -6.277 101 1HZ LYS 12 1HZ LYS 12 8.893 -7.405 -5.312 102 2HZ LYS 12 2HZ LYS 12 9.467 -6.159 -4.316 103 3HZ LYS 12 3HZ LYS 12 10.476 -6.837 -5.488 104 H VAL 13 H VAL 13 5.746 -4.619 -9.037 105 HA VAL 13 HA VAL 13 3.951 -6.392 -10.425 106 HB VAL 13 HB VAL 13 5.344 -5.914 -12.409 107 1HG1 VAL 13 1HG1 VAL 13 4.847 -3.518 -12.556 108 2HG1 VAL 13 2HG1 VAL 13 4.601 -3.462 -10.811 109 3HG1 VAL 13 3HG1 VAL 13 3.513 -4.410 -11.823 110 1HG2 VAL 13 1HG2 VAL 13 7.001 -4.258 -10.501 111 2HG2 VAL 13 2HG2 VAL 13 7.181 -4.299 -12.255 112 3HG2 VAL 13 3HG2 VAL 13 7.516 -5.743 -11.300 113 H LYS 14 H LYS 14 6.582 -6.904 -8.488 114 HA LYS 14 HA LYS 14 7.031 -9.550 -9.658 115 1HB LYS 14 2HB LYS 14 9.090 -7.489 -9.006 116 2HB LYS 14 1HB LYS 14 9.485 -9.180 -8.744 117 1HG LYS 14 2HG LYS 14 8.535 -8.043 -11.366 118 2HG LYS 14 1HG LYS 14 10.228 -8.301 -10.934 119 1HD LYS 14 2HD LYS 14 9.700 -10.706 -10.567 120 2HD LYS 14 1HD LYS 14 8.074 -10.395 -11.174 121 1HE LYS 14 2HE LYS 14 10.577 -9.820 -12.746 122 2HE LYS 14 1HE LYS 14 9.695 -11.342 -12.847 123 1HZ LYS 14 1HZ LYS 14 7.747 -10.126 -13.601 124 2HZ LYS 14 2HZ LYS 14 9.070 -9.839 -14.623 125 3HZ LYS 14 3HZ LYS 14 8.595 -8.657 -13.502 126 HN2 GLY 15 H GLY 15 6.035 -10.748 -8.196 127 1HA GLY 15 2HA GLY 15 6.817 -11.737 -5.907 128 2HA GLY 15 1HA GLY 15 6.335 -10.142 -5.339 129 H ARG 16 H ARG 16 5.033 -12.583 -7.555 130 HA ARG 16 HA ARG 16 2.986 -13.525 -7.805 131 1HB ARG 16 2HB ARG 16 2.606 -12.452 -5.028 132 2HB ARG 16 1HB ARG 16 1.231 -13.076 -5.923 133 1HG ARG 16 2HG ARG 16 2.056 -14.810 -4.518 134 2HG ARG 16 1HG ARG 16 2.447 -15.224 -6.185 135 1HD ARG 16 2HD ARG 16 4.735 -14.523 -5.867 136 2HD ARG 16 1HD ARG 16 4.367 -13.948 -4.241 137 HE ARG 16 HE ARG 16 3.702 -16.692 -4.476 138 1HH1 ARG 16 1HH1 ARG 16 6.498 -14.592 -4.299 139 2HH1 ARG 16 2HH1 ARG 16 7.510 -15.784 -3.544 140 1HH2 ARG 16 1HH2 ARG 16 5.006 -18.244 -3.456 141 2HH2 ARG 16 2HH2 ARG 16 6.649 -17.862 -3.028 142 H GLU 17 H GLU 17 0.936 -12.930 -8.629 143 HA GLU 17 HA GLU 17 0.876 -10.497 -9.970 144 1HB GLU 17 2HB GLU 17 -1.309 -12.476 -9.343 145 2HB GLU 17 1HB GLU 17 -1.585 -11.053 -10.337 146 1HG GLU 17 2HG GLU 17 0.458 -13.178 -10.934 147 2HG GLU 17 1HG GLU 17 -1.162 -13.119 -11.627 148 H ALA 18 H ALA 18 1.131 -8.734 -8.703 149 HA ALA 18 HA ALA 18 0.635 -7.019 -7.308 150 1HB ALA 18 1HB ALA 18 -1.679 -6.284 -7.274 151 2HB ALA 18 2HB ALA 18 -2.213 -7.866 -7.844 152 3HB ALA 18 3HB ALA 18 -1.238 -6.834 -8.892 153 HN2 GLY 19 H GLY 19 1.104 -9.608 -6.102 154 1HA GLY 19 2HA GLY 19 -0.735 -9.878 -3.895 155 2HA GLY 19 1HA GLY 19 0.755 -10.778 -4.115 156 H SER 20 H SER 20 1.914 -7.880 -4.527 157 HA SER 20 HA SER 20 2.134 -7.272 -1.654 158 1HB SER 20 2HB SER 20 4.162 -6.628 -3.809 159 2HB SER 20 1HB SER 20 4.355 -6.402 -2.070 160 HG SER 20 HG SER 20 3.737 -8.960 -3.023 161 H LYS 21 H LYS 21 0.825 -5.618 -1.222 162 HA LYS 21 HA LYS 21 0.879 -3.289 -3.026 163 1HB LYS 21 2HB LYS 21 -1.504 -4.212 -1.408 164 2HB LYS 21 1HB LYS 21 -1.452 -2.840 -2.503 165 1HG LYS 21 2HG LYS 21 -1.103 -4.387 -4.386 166 2HG LYS 21 1HG LYS 21 -1.235 -5.745 -3.268 167 1HD LYS 21 2HD LYS 21 -3.491 -4.729 -2.601 168 2HD LYS 21 1HD LYS 21 -3.339 -3.750 -4.058 169 1HE LYS 21 2HE LYS 21 -4.655 -5.656 -4.605 170 2HE LYS 21 1HE LYS 21 -3.073 -5.871 -5.354 171 1HZ LYS 21 1HZ LYS 21 -4.135 -7.832 -4.104 172 2HZ LYS 21 2HZ LYS 21 -3.629 -7.027 -2.703 173 3HZ LYS 21 3HZ LYS 21 -2.491 -7.508 -3.859 174 H CYS 22 H CYS 22 1.025 -1.303 -2.053 175 HA CYS 22 HA CYS 22 0.711 -1.064 0.832 176 1HB CYS 22 2HB CYS 22 3.291 -0.327 -0.575 177 2HB CYS 22 1HB CYS 22 2.904 0.061 1.095 178 HG CYS 22 HG CYS 22 2.490 -3.130 0.829 179 H VAL 23 H VAL 23 0.533 1.173 1.498 180 HA VAL 23 HA VAL 23 -0.048 2.975 -0.756 181 HB VAL 23 HB VAL 23 -2.090 2.342 0.428 182 1HG1 VAL 23 1HG1 VAL 23 -2.478 3.044 2.752 183 2HG1 VAL 23 2HG1 VAL 23 -0.791 3.545 2.866 184 3HG1 VAL 23 3HG1 VAL 23 -1.191 1.847 2.618 185 1HG2 VAL 23 1HG2 VAL 23 -1.301 5.207 0.919 186 2HG2 VAL 23 2HG2 VAL 23 -2.948 4.582 0.917 187 3HG2 VAL 23 3HG2 VAL 23 -1.993 4.550 -0.564 188 H ILE 24 H ILE 24 0.894 4.937 -0.786 189 HA ILE 24 HA ILE 24 3.033 5.465 1.038 190 HB ILE 24 HB ILE 24 1.851 7.278 -1.077 191 1HG1 ILE 24 2HG1 ILE 24 4.264 5.446 -1.189 192 2HG1 ILE 24 1HG1 ILE 24 2.723 5.155 -1.992 193 1HG2 ILE 24 1HG2 ILE 24 3.992 8.476 -0.933 194 2HG2 ILE 24 2HG2 ILE 24 4.485 7.423 0.393 195 3HG2 ILE 24 3HG2 ILE 24 3.116 8.516 0.598 196 1HD1 ILE 24 1HD1 ILE 24 4.404 6.005 -3.533 197 2HD1 ILE 24 2HD1 ILE 24 4.588 7.456 -2.546 198 3HD1 ILE 24 3HD1 ILE 24 3.061 7.134 -3.367 199 H VAL 25 H VAL 25 2.657 6.128 3.027 200 HA VAL 25 HA VAL 25 0.280 7.663 3.677 201 HB VAL 25 HB VAL 25 2.430 6.434 5.389 202 1HG1 VAL 25 1HG1 VAL 25 -0.032 7.924 6.269 203 2HG1 VAL 25 2HG1 VAL 25 1.633 8.468 6.460 204 3HG1 VAL 25 3HG1 VAL 25 1.068 7.038 7.324 205 1HG2 VAL 25 1HG2 VAL 25 0.888 4.855 4.366 206 2HG2 VAL 25 2HG2 VAL 25 -0.480 5.759 5.016 207 3HG2 VAL 25 3HG2 VAL 25 0.636 4.942 6.109 208 H ASP 26 H ASP 26 3.782 7.956 4.138 209 HA ASP 26 HA ASP 26 3.509 10.869 4.122 210 1HB ASP 26 2HB ASP 26 3.503 10.244 6.481 211 2HB ASP 26 1HB ASP 26 4.955 9.276 6.252 212 H ILE 27 H ILE 27 5.220 11.934 3.219 213 HA ILE 27 HA ILE 27 7.302 10.213 2.063 214 HB ILE 27 HB ILE 27 6.431 12.963 1.142 215 1HG1 ILE 27 2HG1 ILE 27 5.891 10.230 -0.051 216 2HG1 ILE 27 1HG1 ILE 27 4.701 11.246 0.755 217 1HG2 ILE 27 1HG2 ILE 27 8.308 10.964 -0.118 218 2HG2 ILE 27 2HG2 ILE 27 8.778 12.471 0.667 219 3HG2 ILE 27 3HG2 ILE 27 7.822 12.511 -0.814 220 1HD1 ILE 27 1HD1 ILE 27 4.922 12.916 -0.999 221 2HD1 ILE 27 2HD1 ILE 27 4.491 11.342 -1.672 222 3HD1 ILE 27 3HD1 ILE 27 6.149 11.930 -1.794 223 H ILE 28 H ILE 28 9.108 10.263 3.204 224 HA ILE 28 HA ILE 28 9.785 12.648 4.751 225 HB ILE 28 HB ILE 28 11.133 9.941 4.766 226 1HG1 ILE 28 2HG1 ILE 28 10.047 9.921 7.141 227 2HG1 ILE 28 1HG1 ILE 28 8.926 11.089 6.447 228 1HG2 ILE 28 1HG2 ILE 28 12.607 11.742 5.443 229 2HG2 ILE 28 2HG2 ILE 28 12.202 10.707 6.813 230 3HG2 ILE 28 3HG2 ILE 28 11.423 12.279 6.634 231 1HD1 ILE 28 1HD1 ILE 28 8.270 9.475 4.757 232 2HD1 ILE 28 2HD1 ILE 28 8.049 8.820 6.378 233 3HD1 ILE 28 3HD1 ILE 28 9.428 8.311 5.404 234 H ASP 29 H ASP 29 11.624 10.289 2.834 235 HA ASP 29 HA ASP 29 13.465 12.412 2.045 236 1HB ASP 29 2HB ASP 29 13.618 9.403 1.842 237 2HB ASP 29 1HB ASP 29 14.787 10.468 1.070 238 H ASP 30 H ASP 30 14.361 11.704 -0.350 239 HA ASP 30 HA ASP 30 12.243 12.599 -2.024 240 1HB ASP 30 2HB ASP 30 15.057 11.693 -2.662 241 2HB ASP 30 1HB ASP 30 13.947 12.361 -3.852 242 H ASN 31 H ASN 31 13.948 9.516 -1.648 243 HA ASN 31 HA ASN 31 11.910 8.306 -3.403 244 1HB ASN 31 2HB ASN 31 14.327 8.126 -4.116 245 2HB ASN 31 1HB ASN 31 14.594 7.119 -2.698 246 1HD2 ASN 31 1HD2 ASN 31 11.659 7.071 -4.615 247 2HD2 ASN 31 2HD2 ASN 31 11.881 5.483 -5.260 248 H PHE 32 H PHE 32 13.342 8.293 -0.251 249 HA PHE 32 HA PHE 32 12.088 5.810 0.543 250 1HB PHE 32 2HB PHE 32 13.732 7.854 2.012 251 2HB PHE 32 1HB PHE 32 12.906 6.553 2.862 252 HD1 PHE 32 HD1 PHE 32 15.617 7.391 0.547 253 HD2 PHE 32 HD2 PHE 32 13.636 4.270 2.659 254 HE1 PHE 32 HE1 PHE 32 17.504 5.879 0.087 255 HE2 PHE 32 HE2 PHE 32 15.522 2.759 2.208 256 HZ PHE 32 HZ PHE 32 17.460 3.562 0.920 257 H VAL 33 H VAL 33 9.969 5.837 0.661 258 HA VAL 33 HA VAL 33 8.676 8.056 2.106 259 HB VAL 33 HB VAL 33 6.573 7.394 0.997 260 1HG1 VAL 33 1HG1 VAL 33 8.827 7.912 -0.945 261 2HG1 VAL 33 2HG1 VAL 33 7.984 9.136 0.006 262 3HG1 VAL 33 3HG1 VAL 33 7.115 8.228 -1.230 263 1HG2 VAL 33 1HG2 VAL 33 6.621 5.817 -0.880 264 2HG2 VAL 33 2HG2 VAL 33 7.057 5.033 0.639 265 3HG2 VAL 33 3HG2 VAL 33 8.311 5.454 -0.530 266 H LEU 34 H LEU 34 6.792 7.439 3.440 267 HA LEU 34 HA LEU 34 7.311 4.901 4.823 268 1HB LEU 34 2HB LEU 34 7.186 7.164 6.028 269 2HB LEU 34 1HB LEU 34 5.466 7.121 5.707 270 HG LEU 34 HG LEU 34 6.858 4.928 7.239 271 1HD1 LEU 34 1HD1 LEU 34 6.124 6.050 9.286 272 2HD1 LEU 34 2HD1 LEU 34 5.562 7.424 8.332 273 3HD1 LEU 34 3HD1 LEU 34 7.281 7.030 8.389 274 1HD2 LEU 34 1HD2 LEU 34 3.979 5.835 7.159 275 2HD2 LEU 34 2HD2 LEU 34 4.624 4.494 8.108 276 3HD2 LEU 34 3HD2 LEU 34 4.630 4.413 6.346 277 H VAL 35 H VAL 35 6.103 3.235 4.269 278 HA VAL 35 HA VAL 35 3.366 3.735 3.281 279 HB VAL 35 HB VAL 35 3.542 1.674 1.948 280 1HG1 VAL 35 1HG1 VAL 35 5.119 2.501 0.239 281 2HG1 VAL 35 2HG1 VAL 35 5.718 3.688 1.398 282 3HG1 VAL 35 3HG1 VAL 35 4.045 3.759 0.845 283 1HG2 VAL 35 1HG2 VAL 35 6.427 1.643 2.840 284 2HG2 VAL 35 2HG2 VAL 35 5.710 0.579 1.627 285 3HG2 VAL 35 3HG2 VAL 35 5.180 0.485 3.306 286 H THR 36 H THR 36 1.828 1.992 3.723 287 HA THR 36 HA THR 36 2.593 0.141 5.833 288 HB THR 36 HB THR 36 1.728 2.183 6.983 289 HG1 THR 36 HG1 THR 36 0.043 0.937 8.175 290 1HG2 THR 36 1HG2 THR 36 0.096 2.932 5.338 291 2HG2 THR 36 2HG2 THR 36 -0.691 2.648 6.892 292 3HG2 THR 36 3HG2 THR 36 -0.858 1.467 5.591 293 HN2 GLY 37 H GLY 37 1.356 -1.698 5.910 294 1HA GLY 37 2HA GLY 37 -0.707 -1.978 3.817 295 2HA GLY 37 1HA GLY 37 0.196 -3.312 4.527 296 HA PRO 38 HA PRO 38 -3.445 -0.945 7.234 297 1HB PRO 38 2HB PRO 38 -5.223 -2.466 5.359 298 2HB PRO 38 1HB PRO 38 -5.554 -0.980 6.260 299 1HG PRO 38 2HG PRO 38 -4.877 -0.903 3.676 300 2HG PRO 38 1HG PRO 38 -4.318 0.331 4.816 301 1HD PRO 38 2HD PRO 38 -2.796 -1.811 3.483 302 2HD PRO 38 1HD PRO 38 -2.223 -0.293 4.200 303 H LYS 39 H LYS 39 -3.624 -1.979 9.068 304 HA LYS 39 HA LYS 39 -2.842 -4.601 9.491 305 1HB LYS 39 2HB LYS 39 -2.870 -2.827 11.198 306 2HB LYS 39 1HB LYS 39 -4.625 -2.906 11.243 307 1HG LYS 39 2HG LYS 39 -3.746 -4.088 13.125 308 2HG LYS 39 1HG LYS 39 -4.458 -5.253 12.007 309 1HD LYS 39 2HD LYS 39 -2.265 -5.846 11.171 310 2HD LYS 39 1HD LYS 39 -1.516 -4.602 12.175 311 1HE LYS 39 2HE LYS 39 -2.319 -5.769 14.188 312 2HE LYS 39 1HE LYS 39 -3.012 -7.028 13.166 313 1HZ LYS 39 1HZ LYS 39 -0.777 -7.523 14.151 314 2HZ LYS 39 2HZ LYS 39 -0.131 -6.334 13.130 315 3HZ LYS 39 3HZ LYS 39 -0.879 -7.705 12.467 316 H ASP 40 H ASP 40 -6.167 -3.341 9.320 317 HA ASP 40 HA ASP 40 -7.257 -5.973 9.849 318 1HB ASP 40 2HB ASP 40 -8.596 -3.321 9.314 319 2HB ASP 40 1HB ASP 40 -9.462 -4.807 9.675 320 H ILE 41 H ILE 41 -6.041 -4.647 7.125 321 HA ILE 41 HA ILE 41 -8.097 -5.898 5.429 322 HB ILE 41 HB ILE 41 -6.478 -3.429 4.766 323 1HG1 ILE 41 2HG1 ILE 41 -8.916 -2.537 4.456 324 2HG1 ILE 41 1HG1 ILE 41 -9.355 -3.876 5.507 325 1HG2 ILE 41 1HG2 ILE 41 -6.741 -4.819 2.808 326 2HG2 ILE 41 2HG2 ILE 41 -7.760 -3.387 2.675 327 3HG2 ILE 41 3HG2 ILE 41 -8.476 -4.943 3.096 328 1HD1 ILE 41 1HD1 ILE 41 -7.439 -1.658 6.183 329 2HD1 ILE 41 2HD1 ILE 41 -7.884 -2.998 7.241 330 3HD1 ILE 41 3HD1 ILE 41 -9.100 -1.815 6.758 331 H THR 42 H THR 42 -4.781 -4.642 4.950 332 HA THR 42 HA THR 42 -4.213 -6.866 3.197 333 HB THR 42 HB THR 42 -2.185 -4.829 4.063 334 HG1 THR 42 HG1 THR 42 -3.852 -4.303 1.863 335 1HG2 THR 42 1HG2 THR 42 -1.467 -6.659 2.595 336 2HG2 THR 42 2HG2 THR 42 -1.404 -5.111 1.753 337 3HG2 THR 42 3HG2 THR 42 -2.729 -6.233 1.439 338 HN2 GLY 43 H GLY 43 -3.251 -5.705 6.380 339 1HA GLY 43 2HA GLY 43 -2.403 -6.852 8.172 340 2HA GLY 43 1HA GLY 43 -2.663 -8.338 7.276 341 H VAL 44 H VAL 44 -0.590 -5.544 6.520 342 HA VAL 44 HA VAL 44 1.671 -7.414 6.398 343 HB VAL 44 HB VAL 44 1.546 -4.646 5.187 344 1HG1 VAL 44 1HG1 VAL 44 3.486 -6.917 4.765 345 2HG1 VAL 44 2HG1 VAL 44 3.804 -5.439 5.673 346 3HG1 VAL 44 3HG1 VAL 44 3.515 -5.360 3.935 347 1HG2 VAL 44 1HG2 VAL 44 -0.096 -6.093 4.127 348 2HG2 VAL 44 2HG2 VAL 44 1.135 -7.330 3.874 349 3HG2 VAL 44 3HG2 VAL 44 1.254 -5.783 3.035 350 H LYS 45 H LYS 45 2.092 -3.985 6.621 351 HA LYS 45 HA LYS 45 2.406 -3.553 9.330 352 1HB LYS 45 2HB LYS 45 4.244 -5.393 8.774 353 2HB LYS 45 1HB LYS 45 5.145 -4.000 8.197 354 1HG LYS 45 2HG LYS 45 5.729 -4.552 10.494 355 2HG LYS 45 1HG LYS 45 4.969 -2.961 10.396 356 1HD LYS 45 2HD LYS 45 2.896 -3.823 11.211 357 2HD LYS 45 1HD LYS 45 3.473 -5.485 11.090 358 1HE LYS 45 2HE LYS 45 4.632 -3.382 12.913 359 2HE LYS 45 1HE LYS 45 3.467 -4.607 13.406 360 1HZ LYS 45 1HZ LYS 45 5.090 -6.314 12.741 361 2HZ LYS 45 2HZ LYS 45 5.675 -5.308 13.980 362 3HZ LYS 45 3HZ LYS 45 6.219 -5.091 12.390 363 H ARG 46 H ARG 46 4.165 -1.649 9.618 364 HA ARG 46 HA ARG 46 4.024 0.026 7.201 365 1HB ARG 46 2HB ARG 46 3.791 1.981 8.558 366 2HB ARG 46 1HB ARG 46 2.591 0.821 9.112 367 1HG ARG 46 2HG ARG 46 3.982 0.243 11.006 368 2HG ARG 46 1HG ARG 46 5.248 1.329 10.428 369 1HD ARG 46 2HD ARG 46 3.601 3.201 10.604 370 2HD ARG 46 1HD ARG 46 2.492 2.074 11.387 371 HE ARG 46 HE ARG 46 5.141 2.352 12.570 372 1HH1 ARG 46 1HH1 ARG 46 1.761 3.247 12.647 373 2HH1 ARG 46 2HH1 ARG 46 1.806 3.769 14.310 374 1HH2 ARG 46 1HH2 ARG 46 5.229 3.057 14.716 375 2HH2 ARG 46 2HH2 ARG 46 3.798 3.679 15.487 376 H ARG 47 H ARG 47 5.848 1.238 6.668 377 HA ARG 47 HA ARG 47 8.172 1.425 8.278 378 1HB ARG 47 2HB ARG 47 9.656 -0.045 6.927 379 2HB ARG 47 1HB ARG 47 8.446 -0.945 7.832 380 1HG ARG 47 2HG ARG 47 7.171 -1.377 5.901 381 2HG ARG 47 1HG ARG 47 8.064 -0.189 4.951 382 1HD ARG 47 2HD ARG 47 9.310 -2.663 6.132 383 2HD ARG 47 1HD ARG 47 8.647 -2.591 4.500 384 HE ARG 47 HE ARG 47 10.466 -0.478 4.810 385 1HH1 ARG 47 1HH1 ARG 47 10.487 -3.974 4.718 386 2HH1 ARG 47 2HH1 ARG 47 12.035 -4.078 3.939 387 1HH2 ARG 47 1HH2 ARG 47 12.535 -0.608 3.846 388 2HH2 ARG 47 2HH2 ARG 47 13.231 -2.165 3.501 389 H ARG 48 H ARG 48 10.077 2.196 6.916 390 HA ARG 48 HA ARG 48 9.097 3.855 4.719 391 1HB ARG 48 2HB ARG 48 11.886 3.816 5.894 392 2HB ARG 48 1HB ARG 48 11.197 5.032 4.829 393 1HG ARG 48 2HG ARG 48 9.483 5.378 6.735 394 2HG ARG 48 1HG ARG 48 10.684 4.553 7.731 395 1HD ARG 48 2HD ARG 48 10.970 7.132 6.212 396 2HD ARG 48 1HD ARG 48 11.121 6.867 7.947 397 HE ARG 48 HE ARG 48 13.150 5.426 7.200 398 1HH1 ARG 48 1HH1 ARG 48 12.078 8.421 5.743 399 2HH1 ARG 48 2HH1 ARG 48 13.658 8.879 5.173 400 1HH2 ARG 48 1HH2 ARG 48 15.235 6.020 6.475 401 2HH2 ARG 48 2HH2 ARG 48 15.457 7.508 5.606 402 H VAL 49 H VAL 49 9.843 3.646 2.625 403 HA VAL 49 HA VAL 49 11.820 1.602 2.024 404 HB VAL 49 HB VAL 49 9.661 0.367 2.151 405 1HG1 VAL 49 1HG1 VAL 49 8.163 2.148 1.432 406 2HG1 VAL 49 2HG1 VAL 49 7.962 0.710 0.430 407 3HG1 VAL 49 3HG1 VAL 49 8.860 2.096 -0.188 408 1HG2 VAL 49 1HG2 VAL 49 9.866 -0.762 -0.035 409 2HG2 VAL 49 2HG2 VAL 49 11.424 -0.502 0.750 410 3HG2 VAL 49 3HG2 VAL 49 10.924 0.538 -0.584 411 H ASN 50 H ASN 50 12.798 1.878 0.052 412 HA ASN 50 HA ASN 50 12.261 4.376 -1.314 413 1HB ASN 50 2HB ASN 50 14.299 3.775 -2.656 414 2HB ASN 50 1HB ASN 50 14.590 3.905 -0.927 415 1HD2 ASN 50 1HD2 ASN 50 16.049 2.479 -3.047 416 2HD2 ASN 50 2HD2 ASN 50 16.123 0.829 -2.529 417 H ILE 51 H ILE 51 10.684 4.398 -2.735 418 HA ILE 51 HA ILE 51 9.821 2.018 -4.077 419 HB ILE 51 HB ILE 51 8.241 3.647 -5.247 420 1HG1 ILE 51 2HG1 ILE 51 9.296 5.503 -3.105 421 2HG1 ILE 51 1HG1 ILE 51 9.583 5.683 -4.833 422 1HG2 ILE 51 1HG2 ILE 51 7.569 2.214 -3.410 423 2HG2 ILE 51 2HG2 ILE 51 6.788 3.788 -3.285 424 3HG2 ILE 51 3HG2 ILE 51 8.160 3.399 -2.247 425 1HD1 ILE 51 1HD1 ILE 51 7.207 6.022 -5.205 426 2HD1 ILE 51 2HD1 ILE 51 7.833 7.181 -4.033 427 3HD1 ILE 51 3HD1 ILE 51 6.895 5.792 -3.484 428 H LEU 52 H LEU 52 11.725 1.509 -5.204 429 HA LEU 52 HA LEU 52 12.338 3.247 -7.490 430 1HB LEU 52 2HB LEU 52 14.185 2.655 -5.950 431 2HB LEU 52 1HB LEU 52 13.933 0.963 -6.328 432 HG LEU 52 HG LEU 52 14.538 1.418 -8.684 433 1HD1 LEU 52 1HD1 LEU 52 15.201 4.180 -7.669 434 2HD1 LEU 52 2HD1 LEU 52 13.885 3.771 -8.769 435 3HD1 LEU 52 3HD1 LEU 52 15.558 3.550 -9.279 436 1HD2 LEU 52 1HD2 LEU 52 16.935 1.766 -8.277 437 2HD2 LEU 52 2HD2 LEU 52 16.227 0.622 -7.139 438 3HD2 LEU 52 3HD2 LEU 52 16.572 2.274 -6.627 439 H HIS 53 H HIS 53 11.275 0.029 -6.610 440 HA HIS 53 HA HIS 53 10.919 -0.566 -9.476 441 1HB HIS 53 2HB HIS 53 11.707 -2.431 -7.238 442 2HB HIS 53 1HB HIS 53 11.090 -3.013 -8.778 443 HD1 HIS 53 HD1 HIS 53 12.783 -3.365 -10.587 444 HD2 HIS 53 HD2 HIS 53 14.198 -0.901 -7.544 445 HE1 HIS 53 HE1 HIS 53 15.208 -2.960 -11.107 446 HE2 HIS 53 HE2 HIS 53 16.083 -1.611 -9.167 447 H LEU 54 H LEU 54 9.138 0.640 -7.371 448 HA LEU 54 HA LEU 54 6.907 -1.264 -7.643 449 1HB LEU 54 2HB LEU 54 7.393 0.777 -5.470 450 2HB LEU 54 1HB LEU 54 5.884 -0.088 -5.672 451 HG LEU 54 HG LEU 54 7.318 -2.226 -5.399 452 1HD1 LEU 54 1HD1 LEU 54 9.167 -0.216 -4.127 453 2HD1 LEU 54 2HD1 LEU 54 9.497 -1.117 -5.607 454 3HD1 LEU 54 3HD1 LEU 54 9.328 -1.971 -4.072 455 1HD2 LEU 54 1HD2 LEU 54 7.119 -2.081 -2.959 456 2HD2 LEU 54 2HD2 LEU 54 5.676 -1.478 -3.774 457 3HD2 LEU 54 3HD2 LEU 54 6.842 -0.345 -3.091 458 H GLU 55 H GLU 55 5.053 -0.524 -8.590 459 HA GLU 55 HA GLU 55 5.147 2.262 -9.523 460 1HB GLU 55 2HB GLU 55 4.147 -0.205 -10.946 461 2HB GLU 55 1HB GLU 55 3.863 1.434 -11.515 462 1HG GLU 55 2HG GLU 55 6.252 1.806 -11.713 463 2HG GLU 55 1HG GLU 55 6.569 0.191 -11.088 464 HA PRO 56 HA PRO 56 1.293 2.634 -7.278 465 1HB PRO 56 2HB PRO 56 1.284 5.310 -8.480 466 2HB PRO 56 1HB PRO 56 1.305 4.846 -6.777 467 1HG PRO 56 2HG PRO 56 3.450 5.925 -7.973 468 2HG PRO 56 1HG PRO 56 3.605 4.687 -6.711 469 1HD PRO 56 2HD PRO 56 3.819 4.397 -9.688 470 2HD PRO 56 1HD PRO 56 4.817 3.669 -8.410 471 H THR 57 H THR 57 -0.872 2.710 -7.784 472 HA THR 57 HA THR 57 -1.566 2.338 -10.573 473 HB THR 57 HB THR 57 -3.872 1.948 -9.656 474 HG1 THR 57 HG1 THR 57 -3.009 3.198 -7.573 475 1HG2 THR 57 1HG2 THR 57 -2.337 0.084 -10.029 476 2HG2 THR 57 2HG2 THR 57 -3.333 -0.201 -8.602 477 3HG2 THR 57 3HG2 THR 57 -1.655 0.308 -8.420 478 H ASP 58 H ASP 58 -3.843 3.435 -11.157 479 HA ASP 58 HA ASP 58 -3.355 6.286 -10.979 480 1HB ASP 58 2HB ASP 58 -4.982 6.558 -12.693 481 2HB ASP 58 1HB ASP 58 -4.046 5.133 -13.122 482 H LYS 59 H LYS 59 -5.288 3.947 -9.405 483 HA LYS 59 HA LYS 59 -7.189 5.887 -8.400 484 1HB LYS 59 2HB LYS 59 -6.771 2.953 -7.888 485 2HB LYS 59 1HB LYS 59 -7.823 3.908 -6.858 486 1HG LYS 59 2HG LYS 59 -9.285 2.983 -8.386 487 2HG LYS 59 1HG LYS 59 -8.989 4.590 -9.049 488 1HD LYS 59 2HD LYS 59 -7.255 3.577 -10.528 489 2HD LYS 59 1HD LYS 59 -7.754 1.987 -9.941 490 1HE LYS 59 2HE LYS 59 -8.885 2.357 -11.996 491 2HE LYS 59 1HE LYS 59 -10.076 2.541 -10.712 492 1HZ LYS 59 1HZ LYS 59 -8.681 4.765 -12.115 493 2HZ LYS 59 2HZ LYS 59 -9.830 4.943 -10.875 494 3HZ LYS 59 3HZ LYS 59 -10.294 4.287 -12.367 495 H LYS 60 H LYS 60 -7.280 6.668 -6.330 496 HA LYS 60 HA LYS 60 -5.110 6.025 -4.497 497 1HB LYS 60 2HB LYS 60 -5.024 8.624 -4.109 498 2HB LYS 60 1HB LYS 60 -4.045 7.865 -5.353 499 1HG LYS 60 2HG LYS 60 -4.974 9.829 -6.287 500 2HG LYS 60 1HG LYS 60 -5.842 8.473 -7.000 501 1HD LYS 60 2HD LYS 60 -7.463 10.127 -6.490 502 2HD LYS 60 1HD LYS 60 -7.638 8.866 -5.271 503 1HE LYS 60 2HE LYS 60 -6.402 10.202 -3.670 504 2HE LYS 60 1HE LYS 60 -6.107 11.440 -4.892 505 1HZ LYS 60 1HZ LYS 60 -8.475 11.854 -5.017 506 2HZ LYS 60 2HZ LYS 60 -7.955 12.030 -3.412 507 3HZ LYS 60 3HZ LYS 60 -8.787 10.632 -3.886 508 H ILE 61 H ILE 61 -5.508 6.693 -2.321 509 HA ILE 61 HA ILE 61 -8.348 7.125 -1.758 510 HB ILE 61 HB ILE 61 -7.769 6.681 0.618 511 1HG1 ILE 61 2HG1 ILE 61 -5.052 5.953 -0.501 512 2HG1 ILE 61 1HG1 ILE 61 -5.396 7.327 0.543 513 1HG2 ILE 61 1HG2 ILE 61 -7.423 4.254 0.333 514 2HG2 ILE 61 2HG2 ILE 61 -7.040 4.531 -1.367 515 3HG2 ILE 61 3HG2 ILE 61 -8.650 4.909 -0.752 516 1HD1 ILE 61 1HD1 ILE 61 -6.075 5.785 2.320 517 2HD1 ILE 61 2HD1 ILE 61 -4.408 5.522 1.806 518 3HD1 ILE 61 3HD1 ILE 61 -5.680 4.422 1.272 519 H ASP 62 H ASP 62 -9.026 8.876 -0.486 520 HA ASP 62 HA ASP 62 -7.467 11.204 -1.211 521 1HB ASP 62 2HB ASP 62 -9.987 10.834 -1.616 522 2HB ASP 62 1HB ASP 62 -10.179 11.269 0.080 523 H ILE 63 H ILE 63 -6.188 9.914 0.808 524 HA ILE 63 HA ILE 63 -6.830 11.294 3.292 525 HB ILE 63 HB ILE 63 -4.951 10.049 4.269 526 1HG1 ILE 63 2HG1 ILE 63 -4.680 8.742 1.552 527 2HG1 ILE 63 1HG1 ILE 63 -3.576 9.960 2.181 528 1HG2 ILE 63 1HG2 ILE 63 -5.930 7.806 4.101 529 2HG2 ILE 63 2HG2 ILE 63 -6.874 8.331 2.706 530 3HG2 ILE 63 3HG2 ILE 63 -7.163 9.053 4.290 531 1HD1 ILE 63 1HD1 ILE 63 -2.972 8.461 4.013 532 2HD1 ILE 63 2HD1 ILE 63 -2.668 7.728 2.438 533 3HD1 ILE 63 3HD1 ILE 63 -4.080 7.244 3.378 534 H GLN 64 H GLN 64 -4.415 11.861 4.390 535 HA GLN 64 HA GLN 64 -3.233 13.789 2.511 536 1HB GLN 64 2HB GLN 64 -3.883 14.130 5.435 537 2HB GLN 64 1HB GLN 64 -2.844 15.229 4.544 538 1HG GLN 64 2HG GLN 64 -4.700 15.726 3.017 539 2HG GLN 64 1HG GLN 64 -5.735 14.649 3.953 540 1HE2 GLN 64 1HE2 GLN 64 -6.452 15.292 5.976 541 2HE2 GLN 64 2HE2 GLN 64 -6.329 16.926 6.525 542 H LYS 65 H LYS 65 -1.102 14.676 3.602 543 HA LYS 65 HA LYS 65 0.711 12.490 3.670 544 1HB LYS 65 2HB LYS 65 1.301 14.697 2.751 545 2HB LYS 65 1HB LYS 65 1.158 15.400 4.353 546 1HG LYS 65 2HG LYS 65 3.034 14.057 5.129 547 2HG LYS 65 1HG LYS 65 3.167 13.309 3.534 548 1HD LYS 65 2HD LYS 65 3.624 15.505 2.547 549 2HD LYS 65 1HD LYS 65 3.487 16.249 4.139 550 1HE LYS 65 2HE LYS 65 5.531 14.176 3.341 551 2HE LYS 65 1HE LYS 65 5.827 15.910 3.463 552 1HZ LYS 65 1HZ LYS 65 5.127 15.701 5.851 553 2HZ LYS 65 2HZ LYS 65 6.592 14.950 5.452 554 3HZ LYS 65 3HZ LYS 65 5.192 14.013 5.657 555 HN2 GLY 66 H GLY 66 0.814 11.163 5.351 556 1HA GLY 66 2HA GLY 66 1.546 10.646 7.537 557 2HA GLY 66 1HA GLY 66 1.216 12.303 8.020 558 H ALA 67 H ALA 67 -0.886 9.966 6.378 559 HA ALA 67 HA ALA 67 -2.888 10.385 8.459 560 1HB ALA 67 1HB ALA 67 -3.636 10.572 6.153 561 2HB ALA 67 2HB ALA 67 -4.410 9.197 6.944 562 3HB ALA 67 3HB ALA 67 -3.076 8.931 5.822 563 H SER 68 H SER 68 -3.268 8.942 10.012 564 HA SER 68 HA SER 68 -1.530 6.743 10.386 565 1HB SER 68 2HB SER 68 -3.105 6.294 12.347 566 2HB SER 68 1HB SER 68 -2.316 7.871 12.316 567 HG SER 68 HG SER 68 -4.551 8.058 12.762 568 H ASP 69 H ASP 69 -2.352 4.503 10.934 569 HA ASP 69 HA ASP 69 -3.576 3.323 8.695 570 1HB ASP 69 2HB ASP 69 -2.096 2.058 10.191 571 2HB ASP 69 1HB ASP 69 -3.268 2.208 11.497 572 H GLU 70 H GLU 70 -4.870 4.545 11.694 573 HA GLU 70 HA GLU 70 -7.421 3.457 11.644 574 1HB GLU 70 2HB GLU 70 -6.520 6.190 12.571 575 2HB GLU 70 1HB GLU 70 -8.056 5.453 12.956 576 1HG GLU 70 2HG GLU 70 -6.794 5.089 14.855 577 2HG GLU 70 1HG GLU 70 -6.691 3.558 13.990 578 H GLU 71 H GLU 71 -6.176 6.444 10.177 579 HA GLU 71 HA GLU 71 -8.637 7.217 8.999 580 1HB GLU 71 2HB GLU 71 -6.718 8.757 9.439 581 2HB GLU 71 1HB GLU 71 -5.844 7.980 8.126 582 1HG GLU 71 2HG GLU 71 -6.787 10.017 7.315 583 2HG GLU 71 1HG GLU 71 -7.652 8.669 6.578 584 H VAL 72 H VAL 72 -5.811 5.456 7.789 585 HA VAL 72 HA VAL 72 -6.666 5.167 5.128 586 HB VAL 72 HB VAL 72 -4.950 3.264 6.738 587 1HG1 VAL 72 1HG1 VAL 72 -5.772 2.227 4.703 588 2HG1 VAL 72 2HG1 VAL 72 -4.049 2.576 4.562 589 3HG1 VAL 72 3HG1 VAL 72 -5.226 3.612 3.757 590 1HG2 VAL 72 1HG2 VAL 72 -3.057 4.459 5.715 591 2HG2 VAL 72 2HG2 VAL 72 -4.021 5.498 6.766 592 3HG2 VAL 72 3HG2 VAL 72 -4.188 5.615 5.014 593 H LYS 73 H LYS 73 -7.068 3.056 7.938 594 HA LYS 73 HA LYS 73 -8.522 0.964 6.790 595 1HB LYS 73 2HB LYS 73 -7.561 1.325 9.200 596 2HB LYS 73 1HB LYS 73 -9.117 2.064 9.531 597 1HG LYS 73 2HG LYS 73 -10.073 -0.172 8.597 598 2HG LYS 73 1HG LYS 73 -8.458 -0.787 8.955 599 1HD LYS 73 2HD LYS 73 -10.478 0.380 10.851 600 2HD LYS 73 1HD LYS 73 -9.752 -1.223 10.883 601 1HE LYS 73 2HE LYS 73 -8.286 1.367 11.374 602 2HE LYS 73 1HE LYS 73 -8.864 0.281 12.632 603 1HZ LYS 73 1HZ LYS 73 -6.739 -0.247 10.625 604 2HZ LYS 73 2HZ LYS 73 -7.417 -1.464 11.596 605 3HZ LYS 73 3HZ LYS 73 -6.584 -0.168 12.308 606 H LYS 74 H LYS 74 -9.633 3.928 8.352 607 HA LYS 74 HA LYS 74 -12.382 3.636 8.026 608 1HB LYS 74 2HB LYS 74 -11.282 5.304 9.459 609 2HB LYS 74 1HB LYS 74 -10.679 6.138 8.047 610 1HG LYS 74 2HG LYS 74 -13.619 5.790 8.398 611 2HG LYS 74 1HG LYS 74 -12.763 7.028 9.317 612 1HD LYS 74 2HD LYS 74 -11.784 7.422 6.798 613 2HD LYS 74 1HD LYS 74 -13.445 6.927 6.467 614 1HE LYS 74 2HE LYS 74 -13.328 9.335 6.678 615 2HE LYS 74 1HE LYS 74 -14.246 8.656 8.023 616 1HZ LYS 74 1HZ LYS 74 -11.361 9.355 8.195 617 2HZ LYS 74 2HZ LYS 74 -12.405 8.949 9.474 618 3HZ LYS 74 3HZ LYS 74 -12.611 10.412 8.643 619 H LYS 75 H LYS 75 -10.018 5.291 5.984 620 HA LYS 75 HA LYS 75 -11.875 6.180 4.062 621 1HB LYS 75 2HB LYS 75 -9.394 6.895 4.530 622 2HB LYS 75 1HB LYS 75 -9.022 5.668 3.326 623 1HG LYS 75 2HG LYS 75 -9.198 7.927 2.366 624 2HG LYS 75 1HG LYS 75 -10.385 6.806 1.685 625 1HD LYS 75 2HD LYS 75 -12.105 7.699 3.154 626 2HD LYS 75 1HD LYS 75 -10.925 8.768 3.912 627 1HE LYS 75 2HE LYS 75 -10.624 9.966 1.836 628 2HE LYS 75 1HE LYS 75 -11.705 8.849 1.001 629 1HZ LYS 75 1HZ LYS 75 -12.536 10.536 3.297 630 2HZ LYS 75 2HZ LYS 75 -13.539 9.621 2.272 631 3HZ LYS 75 3HZ LYS 75 -12.737 10.996 1.678 632 H LEU 76 H LEU 76 -9.924 3.240 4.254 633 HA LEU 76 HA LEU 76 -10.464 2.240 1.698 634 1HB LEU 76 2HB LEU 76 -9.849 0.917 4.324 635 2HB LEU 76 1HB LEU 76 -10.120 -0.021 2.877 636 HG LEU 76 HG LEU 76 -7.928 2.003 3.308 637 1HD1 LEU 76 1HD1 LEU 76 -7.599 -0.120 4.468 638 2HD1 LEU 76 2HD1 LEU 76 -6.453 0.076 3.143 639 3HD1 LEU 76 3HD1 LEU 76 -7.845 -0.988 2.953 640 1HD2 LEU 76 1HD2 LEU 76 -8.719 2.061 0.997 641 2HD2 LEU 76 2HD2 LEU 76 -8.535 0.311 0.886 642 3HD2 LEU 76 3HD2 LEU 76 -7.116 1.333 1.103 643 H GLU 77 H GLU 77 -12.253 1.964 4.729 644 HA GLU 77 HA GLU 77 -14.345 0.336 3.661 645 1HB GLU 77 2HB GLU 77 -13.651 0.685 6.123 646 2HB GLU 77 1HB GLU 77 -14.570 2.177 6.041 647 1HG GLU 77 2HG GLU 77 -15.767 -0.507 5.417 648 2HG GLU 77 1HG GLU 77 -15.743 0.185 7.036 649 H GLU 78 H GLU 78 -14.023 3.779 4.400 650 HA GLU 78 HA GLU 78 -16.621 4.584 3.747 651 1HB GLU 78 2HB GLU 78 -14.896 5.849 5.058 652 2HB GLU 78 1HB GLU 78 -14.077 6.210 3.552 653 1HG GLU 78 2HG GLU 78 -16.933 6.989 3.988 654 2HG GLU 78 1HG GLU 78 -15.608 7.980 4.591 655 H SER 79 H SER 79 -13.656 4.667 1.772 656 HA SER 79 HA SER 79 -15.104 5.707 -0.487 657 1HB SER 79 2HB SER 79 -12.224 4.837 -0.212 658 2HB SER 79 1HB SER 79 -12.906 5.735 -1.560 659 HG SER 79 HG SER 79 -13.576 7.033 0.639 660 H ASN 80 H ASN 80 -14.671 2.648 0.759 661 HA ASN 80 HA ASN 80 -15.181 0.568 -0.006 662 1HB ASN 80 2HB ASN 80 -16.219 2.122 -2.386 663 2HB ASN 80 1HB ASN 80 -16.430 0.387 -2.185 664 1HD2 ASN 80 1HD2 ASN 80 -16.902 0.388 0.616 665 2HD2 ASN 80 2HD2 ASN 80 -18.447 1.120 0.882 666 H LEU 81 H LEU 81 -12.589 1.209 -0.185 667 HA LEU 81 HA LEU 81 -11.721 0.021 -2.748 668 1HB LEU 81 2HB LEU 81 -10.718 2.373 -1.268 669 2HB LEU 81 1HB LEU 81 -9.477 1.278 -1.839 670 HG LEU 81 HG LEU 81 -9.813 3.092 -3.415 671 1HD1 LEU 81 1HD1 LEU 81 -9.172 0.905 -4.279 672 2HD1 LEU 81 2HD1 LEU 81 -10.156 1.800 -5.438 673 3HD1 LEU 81 3HD1 LEU 81 -10.875 0.492 -4.497 674 1HD2 LEU 81 1HD2 LEU 81 -12.129 3.632 -2.913 675 2HD2 LEU 81 2HD2 LEU 81 -12.651 2.106 -3.624 676 3HD2 LEU 81 3HD2 LEU 81 -11.914 3.346 -4.640 677 H THR 82 H THR 82 -12.383 -1.101 0.021 678 HA THR 82 HA THR 82 -9.841 -1.771 1.181 679 HB THR 82 HB THR 82 -11.733 -1.444 2.643 680 HG1 THR 82 HG1 THR 82 -10.159 -3.607 2.662 681 1HG2 THR 82 1HG2 THR 82 -12.964 -3.858 1.327 682 2HG2 THR 82 2HG2 THR 82 -13.540 -2.196 1.195 683 3HG2 THR 82 3HG2 THR 82 -13.597 -3.031 2.748 684 H GLU 83 H GLU 83 -12.249 -3.458 -0.756 685 HA GLU 83 HA GLU 83 -11.387 -6.067 -0.437 686 1HB GLU 83 2HB GLU 83 -12.425 -4.928 -3.026 687 2HB GLU 83 1HB GLU 83 -12.554 -6.576 -2.454 688 1HG GLU 83 2HG GLU 83 -14.642 -5.900 -1.945 689 2HG GLU 83 1HG GLU 83 -13.838 -5.370 -0.465 690 H TYR 84 H TYR 84 -10.301 -3.680 -2.822 691 HA TYR 84 HA TYR 84 -8.675 -5.411 -4.313 692 1HB TYR 84 2HB TYR 84 -9.449 -3.158 -5.054 693 2HB TYR 84 1HB TYR 84 -8.297 -2.435 -3.936 694 HD1 TYR 84 HD2 TYR 84 -8.515 -4.692 -6.881 695 HD2 TYR 84 HD1 TYR 84 -6.089 -2.032 -4.614 696 HE1 TYR 84 HE2 TYR 84 -6.779 -4.810 -8.616 697 HE2 TYR 84 HE1 TYR 84 -4.337 -2.143 -6.341 698 HH TYR 84 HH TYR 84 -4.889 -3.502 -9.429 699 H MET 85 H MET 85 -8.059 -3.648 -1.355 700 HA MET 85 HA MET 85 -5.210 -4.005 -1.437 701 1HB MET 85 2HB MET 85 -7.175 -2.747 0.344 702 2HB MET 85 1HB MET 85 -5.801 -3.453 1.176 703 1HG MET 85 2HG MET 85 -5.621 -1.461 -1.070 704 2HG MET 85 1HG MET 85 -5.493 -1.074 0.645 705 1HE MET 85 1HE MET 85 -1.807 -0.611 -0.495 706 2HE MET 85 2HE MET 85 -3.164 0.095 0.385 707 3HE MET 85 3HE MET 85 -3.276 -0.152 -1.357 708 H LYS 86 H LYS 86 -7.862 -5.926 -0.477 709 HA LYS 86 HA LYS 86 -6.239 -7.521 1.369 710 1HB LYS 86 2HB LYS 86 -8.437 -6.702 2.139 711 2HB LYS 86 1HB LYS 86 -9.214 -7.578 0.829 712 1HG LYS 86 2HG LYS 86 -8.539 -9.688 1.784 713 2HG LYS 86 1HG LYS 86 -7.620 -8.855 3.043 714 1HD LYS 86 2HD LYS 86 -9.777 -9.604 3.901 715 2HD LYS 86 1HD LYS 86 -9.695 -7.842 3.875 716 1HE LYS 86 2HE LYS 86 -10.893 -7.917 1.671 717 2HE LYS 86 1HE LYS 86 -11.125 -9.646 1.928 718 1HZ LYS 86 1HZ LYS 86 -13.068 -8.463 2.633 719 2HZ LYS 86 2HZ LYS 86 -12.156 -7.446 3.639 720 3HZ LYS 86 3HZ LYS 86 -12.299 -9.096 4.010 721 H GLU 87 H GLU 87 -7.973 -7.701 -1.675 722 HA GLU 87 HA GLU 87 -7.850 -10.535 -1.922 723 1HB GLU 87 2HB GLU 87 -9.549 -9.273 -3.105 724 2HB GLU 87 1HB GLU 87 -8.314 -8.377 -3.977 725 1HG GLU 87 2HG GLU 87 -9.353 -10.094 -5.367 726 2HG GLU 87 1HG GLU 87 -7.628 -10.374 -5.144 727 H LYS 88 H LYS 88 -6.188 -11.717 -2.351 728 HA LYS 88 HA LYS 88 -4.384 -12.604 -3.366 729 1HB LYS 88 2HB LYS 88 -5.375 -11.575 -5.428 730 2HB LYS 88 1HB LYS 88 -4.333 -10.185 -5.165 731 1HG LYS 88 2HG LYS 88 -3.414 -11.707 -6.825 732 2HG LYS 88 1HG LYS 88 -2.368 -11.571 -5.412 733 1HD LYS 88 2HD LYS 88 -2.493 -13.878 -6.126 734 2HD LYS 88 1HD LYS 88 -3.279 -13.699 -4.561 735 1HE LYS 88 2HE LYS 88 -4.881 -13.579 -7.091 736 2HE LYS 88 1HE LYS 88 -4.402 -15.133 -6.415 737 1HZ LYS 88 1HZ LYS 88 -6.156 -13.077 -5.195 738 2HZ LYS 88 2HZ LYS 88 -5.456 -14.316 -4.281 739 3HZ LYS 88 3HZ LYS 88 -6.517 -14.696 -5.547 740 H ILE 89 H ILE 89 -2.640 -12.716 -2.204 741 HA ILE 89 HA ILE 89 -0.954 -10.367 -1.838 742 HB ILE 89 HB ILE 89 -2.489 -10.647 0.142 743 1HG1 ILE 89 2HG1 ILE 89 0.431 -11.043 0.818 744 2HG1 ILE 89 1HG1 ILE 89 -0.243 -9.521 0.245 745 1HG2 ILE 89 1HG2 ILE 89 -2.619 -13.058 0.213 746 2HG2 ILE 89 2HG2 ILE 89 -1.987 -12.448 1.742 747 3HG2 ILE 89 3HG2 ILE 89 -0.893 -13.169 0.560 748 1HD1 ILE 89 1HD1 ILE 89 -0.019 -9.468 2.636 749 2HD1 ILE 89 2HD1 ILE 89 -0.953 -10.958 2.790 750 3HD1 ILE 89 3HD1 ILE 89 -1.731 -9.485 2.207 751 H LYS 90 H LYS 90 1.231 -11.044 -0.964 752 HA LYS 90 HA LYS 90 2.252 -13.145 -2.574 753 1HB LYS 90 2HB LYS 90 3.593 -11.162 -1.954 754 2HB LYS 90 1HB LYS 90 3.598 -11.700 -0.279 755 1HG LYS 90 2HG LYS 90 4.815 -13.724 -0.937 756 2HG LYS 90 1HG LYS 90 4.822 -13.167 -2.611 757 1HD LYS 90 2HD LYS 90 6.951 -12.670 -1.574 758 2HD LYS 90 1HD LYS 90 6.090 -11.169 -1.911 759 1HE LYS 90 2HE LYS 90 5.400 -11.008 0.407 760 2HE LYS 90 1HE LYS 90 6.157 -12.559 0.764 761 1HZ LYS 90 1HZ LYS 90 8.305 -11.617 0.289 762 2HZ LYS 90 2HZ LYS 90 7.525 -10.661 1.446 763 3HZ LYS 90 3HZ LYS 90 7.612 -10.137 -0.168 764 H ILE 91 H ILE 91 2.253 -15.242 -2.182 765 HA ILE 91 HA ILE 91 1.199 -16.419 0.115 766 HB ILE 91 HB ILE 91 2.894 -17.590 -2.091 767 1HG1 ILE 91 2HG1 ILE 91 0.683 -18.775 -2.568 768 2HG1 ILE 91 1HG1 ILE 91 -0.050 -17.652 -1.434 769 1HG2 ILE 91 1HG2 ILE 91 1.578 -19.047 0.196 770 2HG2 ILE 91 2HG2 ILE 91 3.309 -18.931 -0.125 771 3HG2 ILE 91 3HG2 ILE 91 2.263 -19.816 -1.235 772 1HD1 ILE 91 1HD1 ILE 91 0.632 -15.779 -2.840 773 2HD1 ILE 91 2HD1 ILE 91 -0.376 -16.929 -3.720 774 3HD1 ILE 91 3HD1 ILE 91 1.367 -16.906 -3.981 775 H ARG 92 H ARG 92 2.004 -16.712 2.053 776 HA ARG 92 HA ARG 92 4.850 -17.173 2.456 777 1HB ARG 92 2HB ARG 92 4.697 -14.771 2.652 778 2HB ARG 92 1HB ARG 92 3.307 -14.899 3.718 779 1HG ARG 92 2HG ARG 92 4.805 -16.075 5.358 780 2HG ARG 92 1HG ARG 92 6.160 -15.633 4.313 781 1HD ARG 92 2HD ARG 92 5.673 -13.293 4.591 782 2HD ARG 92 1HD ARG 92 4.205 -13.667 5.491 783 HE ARG 92 HE ARG 92 6.773 -14.574 6.566 784 1HH1 ARG 92 1HH1 ARG 92 4.017 -12.413 6.762 785 2HH1 ARG 92 2HH1 ARG 92 4.384 -11.893 8.386 786 1HH2 ARG 92 1HH2 ARG 92 7.255 -13.887 8.690 787 2HH2 ARG 92 2HH2 ARG 92 6.218 -12.734 9.470 788 H MET 93 H MET 93 4.488 -19.213 3.254 789 HA MET 93 HA MET 93 2.562 -19.723 5.317 790 1HB MET 93 2HB MET 93 3.252 -21.547 3.879 791 2HB MET 93 1HB MET 93 4.932 -21.338 4.357 792 1HG MET 93 2HG MET 93 4.295 -21.931 6.678 793 2HG MET 93 1HG MET 93 2.663 -22.261 6.108 794 1HE MET 93 1HE MET 93 3.194 -23.578 3.274 795 2HE MET 93 2HE MET 93 2.040 -24.226 4.439 796 3HE MET 93 3HE MET 93 3.237 -25.289 3.698 797 HA PRO 94 HA PRO 94 5.114 -18.061 8.621 798 1HB PRO 94 2HB PRO 94 3.078 -19.335 10.331 799 2HB PRO 94 1HB PRO 94 3.568 -17.640 10.243 800 1HG PRO 94 2HG PRO 94 1.195 -18.468 9.300 801 2HG PRO 94 1HG PRO 94 2.111 -17.173 8.508 802 1HD PRO 94 2HD PRO 94 1.851 -20.054 7.739 803 2HD PRO 94 1HD PRO 94 1.850 -18.611 6.706 804 H THR 95 H THR 95 6.920 -19.282 8.803 805 HA THR 95 HA THR 95 6.725 -22.117 9.349 806 HB THR 95 HB THR 95 9.342 -21.782 9.371 807 HG1 THR 95 HG1 THR 95 9.896 -19.787 8.948 808 1HG2 THR 95 1HG2 THR 95 9.345 -22.051 6.920 809 2HG2 THR 95 2HG2 THR 95 7.647 -21.576 6.880 810 3HG2 THR 95 3HG2 THR 95 8.127 -23.061 7.701 811 H LEU 96 H LEU 96 5.903 -22.203 11.412 812 HA LEU 96 HA LEU 96 7.802 -21.587 13.537 813 1HB LEU 96 2HB LEU 96 6.184 -19.679 13.340 814 2HB LEU 96 1HB LEU 96 4.888 -20.806 13.692 815 HG LEU 96 HG LEU 96 5.931 -21.264 15.899 816 1HD1 LEU 96 1HD1 LEU 96 7.663 -19.710 16.702 817 2HD1 LEU 96 2HD1 LEU 96 7.794 -19.041 15.075 818 3HD1 LEU 96 3HD1 LEU 96 8.230 -20.723 15.376 819 1HD2 LEU 96 1HD2 LEU 96 4.138 -19.618 15.665 820 2HD2 LEU 96 2HD2 LEU 96 5.332 -18.362 15.338 821 3HD2 LEU 96 3HD2 LEU 96 5.285 -19.143 16.917 Start of MODEL 18 1 1H MET 1 1H MET 1 4.328 17.628 -12.641 2 2H MET 1 2H MET 1 4.905 16.812 -11.268 3 3H MET 1 3H MET 1 3.715 18.009 -11.106 4 HA MET 1 HA MET 1 2.133 16.680 -12.314 5 1HB MET 1 2HB MET 1 4.283 14.548 -12.283 6 2HB MET 1 1HB MET 1 2.652 14.368 -12.906 7 1HG MET 1 2HG MET 1 4.038 14.600 -14.776 8 2HG MET 1 1HG MET 1 3.231 16.156 -14.588 9 1HE MET 1 1HE MET 1 6.889 16.871 -16.004 10 2HE MET 1 2HE MET 1 5.164 17.037 -16.334 11 3HE MET 1 3HE MET 1 5.902 15.437 -16.298 12 HA PRO 2 HA PRO 2 1.252 15.330 -8.133 13 1HB PRO 2 2HB PRO 2 -1.092 14.010 -9.343 14 2HB PRO 2 1HB PRO 2 -1.031 15.256 -8.096 15 1HG PRO 2 2HG PRO 2 -1.867 15.797 -10.587 16 2HG PRO 2 1HG PRO 2 -0.951 16.977 -9.632 17 1HD PRO 2 2HD PRO 2 -0.013 15.186 -11.842 18 2HD PRO 2 1HD PRO 2 0.407 16.881 -11.515 19 H ALA 3 H ALA 3 2.724 13.797 -7.649 20 HA ALA 3 HA ALA 3 2.064 11.028 -8.228 21 1HB ALA 3 1HB ALA 3 4.289 10.492 -9.099 22 2HB ALA 3 2HB ALA 3 4.724 12.201 -9.050 23 3HB ALA 3 3HB ALA 3 3.453 11.645 -10.141 24 H ILE 4 H ILE 4 3.127 9.565 -6.805 25 HA ILE 4 HA ILE 4 3.665 8.917 -4.696 26 HB ILE 4 HB ILE 4 5.531 11.297 -4.764 27 1HG1 ILE 4 2HG1 ILE 4 5.940 9.808 -6.662 28 2HG1 ILE 4 1HG1 ILE 4 7.254 9.689 -5.494 29 1HG2 ILE 4 1HG2 ILE 4 6.836 10.045 -3.092 30 2HG2 ILE 4 2HG2 ILE 4 5.577 8.809 -3.054 31 3HG2 ILE 4 3HG2 ILE 4 5.220 10.449 -2.511 32 1HD1 ILE 4 1HD1 ILE 4 6.304 7.605 -4.649 33 2HD1 ILE 4 2HD1 ILE 4 6.643 7.510 -6.377 34 3HD1 ILE 4 3HD1 ILE 4 4.985 7.732 -5.813 35 H GLU 5 H GLU 5 1.519 9.479 -4.073 36 HA GLU 5 HA GLU 5 1.272 11.999 -2.571 37 1HB GLU 5 2HB GLU 5 -0.927 10.524 -4.031 38 2HB GLU 5 1HB GLU 5 -1.063 12.079 -3.222 39 1HG GLU 5 2HG GLU 5 0.312 13.130 -4.858 40 2HG GLU 5 1HG GLU 5 0.718 11.576 -5.590 41 H VAL 6 H VAL 6 0.097 11.943 -0.662 42 HA VAL 6 HA VAL 6 0.069 9.493 0.759 43 HB VAL 6 HB VAL 6 -1.157 10.790 2.527 44 1HG1 VAL 6 1HG1 VAL 6 1.263 10.644 2.536 45 2HG1 VAL 6 2HG1 VAL 6 0.755 12.251 3.058 46 3HG1 VAL 6 3HG1 VAL 6 1.372 12.007 1.424 47 1HG2 VAL 6 1HG2 VAL 6 -0.828 13.054 0.557 48 2HG2 VAL 6 2HG2 VAL 6 -1.301 13.240 2.247 49 3HG2 VAL 6 3HG2 VAL 6 -2.351 12.371 1.127 50 HN2 GLY 7 H GLY 7 -1.340 7.920 0.531 51 1HA GLY 7 2HA GLY 7 -3.544 7.043 0.655 52 2HA GLY 7 1HA GLY 7 -4.162 8.592 0.102 53 H ARG 8 H ARG 8 -1.488 7.587 -1.708 54 HA ARG 8 HA ARG 8 -3.275 6.490 -3.773 55 1HB ARG 8 2HB ARG 8 -1.871 8.513 -4.339 56 2HB ARG 8 1HB ARG 8 -0.447 7.496 -4.160 57 1HG ARG 8 2HG ARG 8 -1.072 6.144 -6.005 58 2HG ARG 8 1HG ARG 8 -2.677 6.872 -6.081 59 1HD ARG 8 2HD ARG 8 -1.612 9.043 -6.641 60 2HD ARG 8 1HD ARG 8 -0.047 8.231 -6.663 61 HE ARG 8 HE ARG 8 -1.259 6.778 -8.459 62 1HH1 ARG 8 1HH1 ARG 8 -1.588 10.250 -8.005 63 2HH1 ARG 8 2HH1 ARG 8 -1.897 10.558 -9.692 64 1HH2 ARG 8 1HH2 ARG 8 -1.656 7.197 -10.682 65 2HH2 ARG 8 2HH2 ARG 8 -1.971 8.827 -11.201 66 H ILE 9 H ILE 9 -3.221 4.382 -4.119 67 HA ILE 9 HA ILE 9 -1.578 2.707 -2.511 68 HB ILE 9 HB ILE 9 -3.346 1.941 -4.841 69 1HG1 ILE 9 2HG1 ILE 9 -3.972 2.037 -1.879 70 2HG1 ILE 9 1HG1 ILE 9 -4.558 3.183 -3.080 71 1HG2 ILE 9 1HG2 ILE 9 -2.298 0.273 -2.556 72 2HG2 ILE 9 2HG2 ILE 9 -1.749 0.193 -4.229 73 3HG2 ILE 9 3HG2 ILE 9 -3.401 -0.271 -3.819 74 1HD1 ILE 9 1HD1 ILE 9 -5.185 0.240 -3.024 75 2HD1 ILE 9 2HD1 ILE 9 -5.799 1.417 -4.184 76 3HD1 ILE 9 3HD1 ILE 9 -6.254 1.536 -2.484 77 H CYS 10 H CYS 10 0.236 1.595 -3.005 78 HA CYS 10 HA CYS 10 1.116 1.552 -5.803 79 1HB CYS 10 2HB CYS 10 2.991 2.054 -3.507 80 2HB CYS 10 1HB CYS 10 3.361 2.116 -5.221 81 HG CYS 10 HG CYS 10 1.058 4.274 -3.954 82 H VAL 11 H VAL 11 1.643 -0.375 -6.443 83 HA VAL 11 HA VAL 11 1.583 -2.568 -4.539 84 HB VAL 11 HB VAL 11 0.200 -2.658 -6.594 85 1HG1 VAL 11 1HG1 VAL 11 2.834 -2.858 -8.046 86 2HG1 VAL 11 2HG1 VAL 11 1.691 -1.517 -8.133 87 3HG1 VAL 11 3HG1 VAL 11 1.240 -3.103 -8.758 88 1HG2 VAL 11 1HG2 VAL 11 0.770 -4.961 -7.244 89 2HG2 VAL 11 2HG2 VAL 11 0.784 -4.728 -5.495 90 3HG2 VAL 11 3HG2 VAL 11 2.305 -4.807 -6.386 91 H LYS 12 H LYS 12 3.205 -4.214 -4.499 92 HA LYS 12 HA LYS 12 5.854 -3.088 -4.858 93 1HB LYS 12 2HB LYS 12 4.701 -5.378 -3.370 94 2HB LYS 12 1HB LYS 12 6.353 -5.577 -3.935 95 1HG LYS 12 2HG LYS 12 6.898 -4.590 -1.995 96 2HG LYS 12 1HG LYS 12 6.473 -3.096 -2.828 97 1HD LYS 12 2HD LYS 12 4.553 -4.726 -1.169 98 2HD LYS 12 1HD LYS 12 5.458 -3.341 -0.564 99 1HE LYS 12 2HE LYS 12 3.509 -3.270 -2.864 100 2HE LYS 12 1HE LYS 12 3.136 -2.792 -1.211 101 1HZ LYS 12 1HZ LYS 12 4.804 -1.061 -1.368 102 2HZ LYS 12 2HZ LYS 12 3.649 -0.887 -2.597 103 3HZ LYS 12 3HZ LYS 12 5.175 -1.522 -2.953 104 H VAL 13 H VAL 13 6.547 -3.117 -6.901 105 HA VAL 13 HA VAL 13 5.957 -5.135 -8.788 106 HB VAL 13 HB VAL 13 6.588 -2.869 -9.460 107 1HG1 VAL 13 1HG1 VAL 13 9.346 -3.569 -8.456 108 2HG1 VAL 13 2HG1 VAL 13 8.248 -2.375 -7.760 109 3HG1 VAL 13 3HG1 VAL 13 8.920 -2.122 -9.372 110 1HG2 VAL 13 1HG2 VAL 13 8.082 -3.433 -11.295 111 2HG2 VAL 13 2HG2 VAL 13 6.887 -4.707 -11.047 112 3HG2 VAL 13 3HG2 VAL 13 8.542 -4.928 -10.480 113 H LYS 14 H LYS 14 8.331 -4.856 -6.303 114 HA LYS 14 HA LYS 14 9.933 -7.054 -7.330 115 1HB LYS 14 2HB LYS 14 10.213 -5.021 -5.236 116 2HB LYS 14 1HB LYS 14 10.800 -6.606 -4.761 117 1HG LYS 14 2HG LYS 14 12.575 -5.196 -5.685 118 2HG LYS 14 1HG LYS 14 12.318 -6.651 -6.643 119 1HD LYS 14 2HD LYS 14 10.873 -4.171 -7.434 120 2HD LYS 14 1HD LYS 14 12.601 -4.268 -7.765 121 1HE LYS 14 2HE LYS 14 10.521 -6.265 -8.663 122 2HE LYS 14 1HE LYS 14 11.256 -5.023 -9.675 123 1HZ LYS 14 1HZ LYS 14 13.413 -6.066 -9.325 124 2HZ LYS 14 2HZ LYS 14 12.312 -7.163 -10.008 125 3HZ LYS 14 3HZ LYS 14 12.695 -7.270 -8.361 126 HN2 GLY 15 H GLY 15 7.007 -7.032 -6.198 127 1HA GLY 15 2HA GLY 15 7.317 -9.290 -4.345 128 2HA GLY 15 1HA GLY 15 5.828 -8.395 -4.641 129 H ARG 16 H ARG 16 7.471 -11.210 -5.293 130 HA ARG 16 HA ARG 16 6.972 -11.608 -8.031 131 1HB ARG 16 2HB ARG 16 7.128 -13.861 -6.049 132 2HB ARG 16 1HB ARG 16 7.671 -13.829 -7.720 133 1HG ARG 16 2HG ARG 16 9.359 -12.076 -6.959 134 2HG ARG 16 1HG ARG 16 8.947 -12.578 -5.317 135 1HD ARG 16 2HD ARG 16 10.779 -13.912 -5.815 136 2HD ARG 16 1HD ARG 16 9.415 -14.968 -6.182 137 HE ARG 16 HE ARG 16 11.086 -13.561 -8.160 138 1HH1 ARG 16 1HH1 ARG 16 8.807 -16.115 -7.345 139 2HH1 ARG 16 2HH1 ARG 16 8.939 -16.876 -8.902 140 1HH2 ARG 16 1HH2 ARG 16 11.219 -14.563 -10.200 141 2HH2 ARG 16 2HH2 ARG 16 10.291 -16.007 -10.507 142 H GLU 17 H GLU 17 4.943 -11.960 -5.260 143 HA GLU 17 HA GLU 17 2.999 -13.651 -6.555 144 1HB GLU 17 2HB GLU 17 2.595 -12.046 -4.031 145 2HB GLU 17 1HB GLU 17 1.759 -13.511 -4.526 146 1HG GLU 17 2HG GLU 17 4.624 -13.270 -3.653 147 2HG GLU 17 1HG GLU 17 3.303 -14.032 -2.771 148 H ALA 18 H ALA 18 3.709 -10.332 -6.411 149 HA ALA 18 HA ALA 18 2.706 -8.415 -7.054 150 1HB ALA 18 1HB ALA 18 1.047 -10.243 -8.794 151 2HB ALA 18 2HB ALA 18 2.645 -9.617 -9.197 152 3HB ALA 18 3HB ALA 18 1.285 -8.509 -9.023 153 HN2 GLY 19 H GLY 19 1.588 -9.922 -4.800 154 1HA GLY 19 2HA GLY 19 -1.146 -8.808 -4.784 155 2HA GLY 19 1HA GLY 19 -0.634 -10.184 -3.816 156 H SER 20 H SER 20 1.962 -8.438 -3.580 157 HA SER 20 HA SER 20 1.361 -7.466 -0.981 158 1HB SER 20 2HB SER 20 3.782 -6.438 -1.412 159 2HB SER 20 1HB SER 20 3.552 -8.158 -1.091 160 HG SER 20 HG SER 20 4.654 -7.075 -3.210 161 H LYS 21 H LYS 21 -0.025 -5.826 -0.880 162 HA LYS 21 HA LYS 21 0.374 -3.482 -2.608 163 1HB LYS 21 2HB LYS 21 -2.059 -4.366 -1.039 164 2HB LYS 21 1HB LYS 21 -1.974 -2.943 -2.069 165 1HG LYS 21 2HG LYS 21 -1.876 -4.211 -4.018 166 2HG LYS 21 1HG LYS 21 -1.408 -5.675 -3.154 167 1HD LYS 21 2HD LYS 21 -3.636 -5.741 -2.108 168 2HD LYS 21 1HD LYS 21 -4.094 -4.306 -3.030 169 1HE LYS 21 2HE LYS 21 -3.838 -5.488 -5.104 170 2HE LYS 21 1HE LYS 21 -3.187 -6.898 -4.270 171 1HZ LYS 21 1HZ LYS 21 -5.921 -5.851 -3.789 172 2HZ LYS 21 2HZ LYS 21 -5.281 -7.346 -3.300 173 3HZ LYS 21 3HZ LYS 21 -5.571 -7.043 -4.940 174 H CYS 22 H CYS 22 0.613 -1.462 -1.727 175 HA CYS 22 HA CYS 22 0.311 -1.080 1.137 176 1HB CYS 22 2HB CYS 22 2.953 -0.609 -0.266 177 2HB CYS 22 1HB CYS 22 2.574 -0.095 1.375 178 HG CYS 22 HG CYS 22 1.889 -3.206 1.427 179 H VAL 23 H VAL 23 0.340 1.175 1.727 180 HA VAL 23 HA VAL 23 -0.125 2.954 -0.578 181 HB VAL 23 HB VAL 23 -2.212 2.445 0.620 182 1HG1 VAL 23 1HG1 VAL 23 -1.365 1.992 2.831 183 2HG1 VAL 23 2HG1 VAL 23 -2.565 3.283 2.908 184 3HG1 VAL 23 3HG1 VAL 23 -0.848 3.670 3.013 185 1HG2 VAL 23 1HG2 VAL 23 -2.958 4.748 1.007 186 2HG2 VAL 23 2HG2 VAL 23 -1.993 4.609 -0.461 187 3HG2 VAL 23 3HG2 VAL 23 -1.280 5.290 1.000 188 H ILE 24 H ILE 24 0.759 4.989 -0.511 189 HA ILE 24 HA ILE 24 2.927 5.433 1.329 190 HB ILE 24 HB ILE 24 1.785 7.285 -0.776 191 1HG1 ILE 24 2HG1 ILE 24 4.174 5.430 -0.899 192 2HG1 ILE 24 1HG1 ILE 24 2.631 5.148 -1.700 193 1HG2 ILE 24 1HG2 ILE 24 3.924 8.460 -0.605 194 2HG2 ILE 24 2HG2 ILE 24 4.429 7.363 0.683 195 3HG2 ILE 24 3HG2 ILE 24 3.070 8.462 0.939 196 1HD1 ILE 24 1HD1 ILE 24 4.248 5.978 -3.278 197 2HD1 ILE 24 2HD1 ILE 24 4.568 7.383 -2.263 198 3HD1 ILE 24 3HD1 ILE 24 2.992 7.192 -3.032 199 H VAL 25 H VAL 25 2.678 6.319 3.275 200 HA VAL 25 HA VAL 25 0.262 7.931 3.755 201 HB VAL 25 HB VAL 25 0.560 7.412 6.160 202 1HG1 VAL 25 1HG1 VAL 25 -0.942 6.066 4.803 203 2HG1 VAL 25 2HG1 VAL 25 -0.152 5.071 6.026 204 3HG1 VAL 25 3HG1 VAL 25 0.390 5.007 4.348 205 1HG2 VAL 25 1HG2 VAL 25 2.967 7.016 6.168 206 2HG2 VAL 25 2HG2 VAL 25 2.738 5.565 5.192 207 3HG2 VAL 25 3HG2 VAL 25 2.097 5.635 6.833 208 H ASP 26 H ASP 26 3.740 7.978 3.929 209 HA ASP 26 HA ASP 26 3.678 10.823 4.458 210 1HB ASP 26 2HB ASP 26 3.662 9.834 6.732 211 2HB ASP 26 1HB ASP 26 5.138 8.956 6.347 212 H ILE 27 H ILE 27 5.476 11.880 3.690 213 HA ILE 27 HA ILE 27 7.410 10.189 2.264 214 HB ILE 27 HB ILE 27 6.939 13.152 1.909 215 1HG1 ILE 27 2HG1 ILE 27 5.926 10.837 0.238 216 2HG1 ILE 27 1HG1 ILE 27 4.939 11.830 1.299 217 1HG2 ILE 27 1HG2 ILE 27 8.183 12.815 -0.194 218 2HG2 ILE 27 2HG2 ILE 27 8.460 11.134 0.266 219 3HG2 ILE 27 3HG2 ILE 27 9.149 12.437 1.232 220 1HD1 ILE 27 1HD1 ILE 27 5.338 13.771 -0.081 221 2HD1 ILE 27 2HD1 ILE 27 4.731 12.445 -1.074 222 3HD1 ILE 27 3HD1 ILE 27 6.446 12.848 -1.095 223 H ILE 28 H ILE 28 9.178 9.798 3.422 224 HA ILE 28 HA ILE 28 9.976 11.494 5.600 225 HB ILE 28 HB ILE 28 11.354 9.066 4.437 226 1HG1 ILE 28 2HG1 ILE 28 9.076 8.603 5.287 227 2HG1 ILE 28 1HG1 ILE 28 10.322 7.811 6.242 228 1HG2 ILE 28 1HG2 ILE 28 12.512 8.950 6.603 229 2HG2 ILE 28 2HG2 ILE 28 11.773 10.484 7.063 230 3HG2 ILE 28 3HG2 ILE 28 12.902 10.421 5.710 231 1HD1 ILE 28 1HD1 ILE 28 10.121 9.557 7.941 232 2HD1 ILE 28 2HD1 ILE 28 8.591 8.728 7.662 233 3HD1 ILE 28 3HD1 ILE 28 8.860 10.335 6.985 234 H ASP 29 H ASP 29 11.744 10.279 2.762 235 HA ASP 29 HA ASP 29 13.468 12.668 2.894 236 1HB ASP 29 2HB ASP 29 14.430 10.281 3.144 237 2HB ASP 29 1HB ASP 29 14.112 10.106 1.427 238 H ASP 30 H ASP 30 14.536 12.326 0.277 239 HA ASP 30 HA ASP 30 12.379 13.448 -1.300 240 1HB ASP 30 2HB ASP 30 14.697 14.330 -1.450 241 2HB ASP 30 1HB ASP 30 15.224 12.781 -2.101 242 H ASN 31 H ASN 31 14.171 10.482 -1.028 243 HA ASN 31 HA ASN 31 12.474 9.279 -3.108 244 1HB ASN 31 2HB ASN 31 15.264 8.566 -2.205 245 2HB ASN 31 1HB ASN 31 14.280 7.494 -3.198 246 1HD2 ASN 31 1HD2 ASN 31 13.041 9.622 -4.697 247 2HD2 ASN 31 2HD2 ASN 31 14.242 10.249 -5.771 248 H PHE 32 H PHE 32 13.812 8.894 0.135 249 HA PHE 32 HA PHE 32 12.575 6.372 0.605 250 1HB PHE 32 2HB PHE 32 13.846 8.395 2.429 251 2HB PHE 32 1HB PHE 32 13.038 6.967 3.061 252 HD1 PHE 32 HD1 PHE 32 13.845 4.695 2.277 253 HD2 PHE 32 HD2 PHE 32 16.051 8.283 1.684 254 HE1 PHE 32 HE1 PHE 32 15.895 3.375 1.949 255 HE2 PHE 32 HE2 PHE 32 18.103 6.971 1.350 256 HZ PHE 32 HZ PHE 32 18.027 4.513 1.483 257 H VAL 33 H VAL 33 10.452 6.258 0.422 258 HA VAL 33 HA VAL 33 8.820 8.184 1.939 259 HB VAL 33 HB VAL 33 6.899 7.366 0.600 260 1HG1 VAL 33 1HG1 VAL 33 8.116 9.353 -0.109 261 2HG1 VAL 33 2HG1 VAL 33 7.532 8.441 -1.502 262 3HG1 VAL 33 3HG1 VAL 33 9.230 8.348 -1.037 263 1HG2 VAL 33 1HG2 VAL 33 7.300 5.994 -1.388 264 2HG2 VAL 33 2HG2 VAL 33 7.718 5.124 0.088 265 3HG2 VAL 33 3HG2 VAL 33 8.990 5.811 -0.923 266 H LEU 34 H LEU 34 7.061 7.359 3.227 267 HA LEU 34 HA LEU 34 7.729 4.757 4.395 268 1HB LEU 34 2HB LEU 34 7.445 6.951 5.739 269 2HB LEU 34 1HB LEU 34 5.730 6.742 5.470 270 HG LEU 34 HG LEU 34 6.512 5.964 7.698 271 1HD1 LEU 34 1HD1 LEU 34 5.307 3.845 7.695 272 2HD1 LEU 34 2HD1 LEU 34 5.372 3.806 5.932 273 3HD1 LEU 34 3HD1 LEU 34 4.458 5.070 6.754 274 1HD2 LEU 34 1HD2 LEU 34 8.694 5.124 7.057 275 2HD2 LEU 34 2HD2 LEU 34 7.940 3.851 6.097 276 3HD2 LEU 34 3HD2 LEU 34 7.752 3.862 7.850 277 H VAL 35 H VAL 35 6.647 3.068 3.679 278 HA VAL 35 HA VAL 35 3.843 3.436 2.848 279 HB VAL 35 HB VAL 35 4.156 1.595 1.211 280 1HG1 VAL 35 1HG1 VAL 35 6.005 3.945 0.816 281 2HG1 VAL 35 2HG1 VAL 35 4.274 3.915 0.478 282 3HG1 VAL 35 3HG1 VAL 35 5.373 2.902 -0.458 283 1HG2 VAL 35 1HG2 VAL 35 6.060 0.480 2.227 284 2HG2 VAL 35 2HG2 VAL 35 7.078 1.885 1.911 285 3HG2 VAL 35 3HG2 VAL 35 6.440 0.938 0.567 286 H THR 36 H THR 36 2.405 1.803 3.373 287 HA THR 36 HA THR 36 3.363 -0.468 4.913 288 HB THR 36 HB THR 36 3.102 1.291 6.609 289 HG1 THR 36 HG1 THR 36 2.363 -1.031 6.918 290 1HG2 THR 36 1HG2 THR 36 0.214 1.389 5.732 291 2HG2 THR 36 2HG2 THR 36 1.416 2.656 5.476 292 3HG2 THR 36 3HG2 THR 36 0.909 2.238 7.113 293 HN2 GLY 37 H GLY 37 1.826 -2.130 5.133 294 1HA GLY 37 2HA GLY 37 -0.531 -1.849 3.393 295 2HA GLY 37 1HA GLY 37 0.216 -3.379 3.863 296 HA PRO 38 HA PRO 38 -2.987 -0.714 6.920 297 1HB PRO 38 2HB PRO 38 -4.772 -2.640 5.488 298 2HB PRO 38 1HB PRO 38 -5.156 -1.063 6.185 299 1HG PRO 38 2HG PRO 38 -4.596 -1.498 3.522 300 2HG PRO 38 1HG PRO 38 -4.427 0.060 4.348 301 1HD PRO 38 2HD PRO 38 -2.352 -1.558 3.228 302 2HD PRO 38 1HD PRO 38 -2.180 -0.038 4.122 303 H LYS 39 H LYS 39 -2.569 -1.485 8.830 304 HA LYS 39 HA LYS 39 -1.575 -3.933 9.510 305 1HB LYS 39 2HB LYS 39 -1.473 -1.934 10.926 306 2HB LYS 39 1HB LYS 39 -3.196 -2.065 11.243 307 1HG LYS 39 2HG LYS 39 -2.809 -4.211 12.380 308 2HG LYS 39 1HG LYS 39 -1.075 -4.031 12.091 309 1HD LYS 39 2HD LYS 39 -1.114 -1.914 13.363 310 2HD LYS 39 1HD LYS 39 -2.825 -2.172 13.700 311 1HE LYS 39 2HE LYS 39 -2.280 -4.242 14.883 312 2HE LYS 39 1HE LYS 39 -0.568 -3.988 14.544 313 1HZ LYS 39 1HZ LYS 39 -2.317 -2.236 16.193 314 2HZ LYS 39 2HZ LYS 39 -0.699 -1.902 15.807 315 3HZ LYS 39 3HZ LYS 39 -1.079 -3.248 16.765 316 H ASP 40 H ASP 40 -4.974 -2.906 9.944 317 HA ASP 40 HA ASP 40 -5.593 -5.714 10.550 318 1HB ASP 40 2HB ASP 40 -6.215 -3.817 12.151 319 2HB ASP 40 1HB ASP 40 -7.461 -3.396 10.978 320 H ILE 41 H ILE 41 -5.197 -4.584 7.847 321 HA ILE 41 HA ILE 41 -7.760 -5.562 6.760 322 HB ILE 41 HB ILE 41 -5.879 -3.566 5.484 323 1HG1 ILE 41 2HG1 ILE 41 -8.748 -3.316 6.425 324 2HG1 ILE 41 1HG1 ILE 41 -7.340 -2.617 7.219 325 1HG2 ILE 41 1HG2 ILE 41 -8.411 -4.774 4.378 326 2HG2 ILE 41 2HG2 ILE 41 -6.774 -5.130 3.825 327 3HG2 ILE 41 3HG2 ILE 41 -7.446 -3.513 3.613 328 1HD1 ILE 41 1HD1 ILE 41 -6.957 -1.169 5.319 329 2HD1 ILE 41 2HD1 ILE 41 -8.602 -0.972 5.924 330 3HD1 ILE 41 3HD1 ILE 41 -8.307 -1.908 4.457 331 H THR 42 H THR 42 -4.309 -5.191 5.942 332 HA THR 42 HA THR 42 -4.383 -7.984 5.041 333 HB THR 42 HB THR 42 -3.793 -6.762 3.122 334 HG1 THR 42 HG1 THR 42 -1.732 -8.098 4.425 335 1HG2 THR 42 1HG2 THR 42 -3.306 -4.604 4.147 336 2HG2 THR 42 2HG2 THR 42 -2.027 -5.069 3.027 337 3HG2 THR 42 3HG2 THR 42 -1.778 -5.227 4.768 338 HN2 GLY 43 H GLY 43 -1.892 -5.658 6.195 339 1HA GLY 43 2HA GLY 43 -0.999 -6.036 8.468 340 2HA GLY 43 1HA GLY 43 -1.048 -7.753 8.099 341 H VAL 44 H VAL 44 0.314 -4.758 6.716 342 HA VAL 44 HA VAL 44 2.815 -6.256 6.271 343 HB VAL 44 HB VAL 44 1.742 -4.002 4.559 344 1HG1 VAL 44 1HG1 VAL 44 3.629 -4.486 3.086 345 2HG1 VAL 44 2HG1 VAL 44 4.204 -5.714 4.213 346 3HG1 VAL 44 3HG1 VAL 44 4.184 -4.017 4.691 347 1HG2 VAL 44 1HG2 VAL 44 1.534 -5.724 2.806 348 2HG2 VAL 44 2HG2 VAL 44 0.477 -6.029 4.184 349 3HG2 VAL 44 3HG2 VAL 44 1.964 -6.957 3.991 350 H LYS 45 H LYS 45 4.222 -5.613 7.734 351 HA LYS 45 HA LYS 45 4.190 -3.356 9.312 352 1HB LYS 45 2HB LYS 45 5.588 -5.313 9.770 353 2HB LYS 45 1HB LYS 45 6.593 -4.938 8.377 354 1HG LYS 45 2HG LYS 45 6.535 -2.629 9.994 355 2HG LYS 45 1HG LYS 45 6.814 -4.006 11.060 356 1HD LYS 45 2HD LYS 45 8.378 -3.442 8.544 357 2HD LYS 45 1HD LYS 45 8.900 -2.994 10.168 358 1HE LYS 45 2HE LYS 45 8.302 -5.813 9.278 359 2HE LYS 45 1HE LYS 45 9.915 -5.104 9.328 360 1HZ LYS 45 1HZ LYS 45 9.630 -6.320 11.316 361 2HZ LYS 45 2HZ LYS 45 8.101 -5.642 11.620 362 3HZ LYS 45 3HZ LYS 45 9.499 -4.685 11.745 363 H ARG 46 H ARG 46 4.767 -1.282 9.091 364 HA ARG 46 HA ARG 46 5.208 -0.274 6.467 365 1HB ARG 46 2HB ARG 46 5.085 1.909 7.455 366 2HB ARG 46 1HB ARG 46 3.868 0.894 8.213 367 1HG ARG 46 2HG ARG 46 5.371 0.591 10.144 368 2HG ARG 46 1HG ARG 46 6.525 1.692 9.387 369 1HD ARG 46 2HD ARG 46 4.532 3.332 9.285 370 2HD ARG 46 1HD ARG 46 3.800 2.271 10.488 371 HE ARG 46 HE ARG 46 6.469 3.093 11.170 372 1HH1 ARG 46 1HH1 ARG 46 3.060 3.879 11.392 373 2HH1 ARG 46 2HH1 ARG 46 3.287 5.061 12.643 374 1HH2 ARG 46 1HH2 ARG 46 6.750 4.627 12.842 375 2HH2 ARG 46 2HH2 ARG 46 5.376 5.475 13.471 376 H ARG 47 H ARG 47 7.021 0.380 5.487 377 HA ARG 47 HA ARG 47 9.467 0.722 7.046 378 1HB ARG 47 2HB ARG 47 9.075 -1.282 4.851 379 2HB ARG 47 1HB ARG 47 10.656 -0.557 5.104 380 1HG ARG 47 2HG ARG 47 10.546 -1.340 7.477 381 2HG ARG 47 1HG ARG 47 9.071 -2.213 7.055 382 1HD ARG 47 2HD ARG 47 11.624 -2.610 5.528 383 2HD ARG 47 1HD ARG 47 11.297 -3.494 7.016 384 HE ARG 47 HE ARG 47 9.134 -4.134 5.716 385 1HH1 ARG 47 1HH1 ARG 47 12.328 -3.734 4.318 386 2HH1 ARG 47 2HH1 ARG 47 12.108 -5.011 3.154 387 1HH2 ARG 47 1HH2 ARG 47 8.850 -5.797 4.202 388 2HH2 ARG 47 2HH2 ARG 47 10.124 -6.181 3.087 389 H ARG 48 H ARG 48 11.265 1.547 5.565 390 HA ARG 48 HA ARG 48 10.097 3.633 3.873 391 1HB ARG 48 2HB ARG 48 12.656 3.460 5.439 392 2HB ARG 48 1HB ARG 48 12.477 4.622 4.131 393 1HG ARG 48 2HG ARG 48 10.554 5.607 5.248 394 2HG ARG 48 1HG ARG 48 10.697 4.425 6.550 395 1HD ARG 48 2HD ARG 48 13.104 6.025 5.913 396 2HD ARG 48 1HD ARG 48 11.764 6.874 6.677 397 HE ARG 48 HE ARG 48 12.198 4.551 8.147 398 1HH1 ARG 48 1HH1 ARG 48 14.039 7.397 7.273 399 2HH1 ARG 48 2HH1 ARG 48 14.855 7.513 8.799 400 1HH2 ARG 48 1HH2 ARG 48 13.282 4.685 10.169 401 2HH2 ARG 48 2HH2 ARG 48 14.426 5.961 10.453 402 H VAL 49 H VAL 49 10.477 3.713 1.771 403 HA VAL 49 HA VAL 49 12.599 2.012 0.652 404 HB VAL 49 HB VAL 49 10.475 0.849 0.328 405 1HG1 VAL 49 1HG1 VAL 49 9.566 3.346 -1.093 406 2HG1 VAL 49 2HG1 VAL 49 8.960 2.736 0.446 407 3HG1 VAL 49 3HG1 VAL 49 8.686 1.819 -1.036 408 1HG2 VAL 49 1HG2 VAL 49 10.536 0.592 -2.106 409 2HG2 VAL 49 2HG2 VAL 49 12.159 0.653 -1.421 410 3HG2 VAL 49 3HG2 VAL 49 11.492 2.066 -2.238 411 H ASN 50 H ASN 50 13.660 2.841 -1.137 412 HA ASN 50 HA ASN 50 13.474 5.729 -1.378 413 1HB ASN 50 2HB ASN 50 15.632 5.564 -2.533 414 2HB ASN 50 1HB ASN 50 15.676 4.684 -1.009 415 1HD2 ASN 50 1HD2 ASN 50 17.268 4.424 -3.487 416 2HD2 ASN 50 2HD2 ASN 50 17.123 2.767 -3.952 417 H ILE 51 H ILE 51 11.387 4.181 -2.583 418 HA ILE 51 HA ILE 51 10.197 3.891 -4.493 419 HB ILE 51 HB ILE 51 11.935 6.121 -5.535 420 1HG1 ILE 51 2HG1 ILE 51 9.224 6.238 -4.196 421 2HG1 ILE 51 1HG1 ILE 51 10.747 6.689 -3.440 422 1HG2 ILE 51 1HG2 ILE 51 10.794 4.973 -7.338 423 2HG2 ILE 51 2HG2 ILE 51 10.051 6.550 -7.076 424 3HG2 ILE 51 3HG2 ILE 51 9.259 5.093 -6.476 425 1HD1 ILE 51 1HD1 ILE 51 11.030 8.476 -5.070 426 2HD1 ILE 51 2HD1 ILE 51 9.517 8.643 -4.179 427 3HD1 ILE 51 3HD1 ILE 51 9.505 8.025 -5.831 428 H LEU 52 H LEU 52 10.816 1.866 -5.045 429 HA LEU 52 HA LEU 52 12.215 1.434 -7.446 430 1HB LEU 52 2HB LEU 52 14.114 1.953 -5.819 431 2HB LEU 52 1HB LEU 52 13.706 0.457 -5.007 432 HG LEU 52 HG LEU 52 14.438 0.478 -7.929 433 1HD1 LEU 52 1HD1 LEU 52 16.309 0.301 -5.567 434 2HD1 LEU 52 2HD1 LEU 52 16.255 1.595 -6.763 435 3HD1 LEU 52 3HD1 LEU 52 16.747 -0.029 -7.243 436 1HD2 LEU 52 1HD2 LEU 52 13.416 -1.556 -7.011 437 2HD2 LEU 52 2HD2 LEU 52 14.665 -1.617 -5.767 438 3HD2 LEU 52 3HD2 LEU 52 15.100 -1.823 -7.464 439 H HIS 53 H HIS 53 11.258 0.112 -4.329 440 HA HIS 53 HA HIS 53 10.792 -2.513 -5.477 441 1HB HIS 53 2HB HIS 53 10.571 -1.449 -2.658 442 2HB HIS 53 1HB HIS 53 10.144 -3.097 -3.100 443 HD1 HIS 53 HD1 HIS 53 12.721 -1.667 -1.376 444 HD2 HIS 53 HD2 HIS 53 12.686 -3.993 -4.829 445 HE1 HIS 53 HE1 HIS 53 15.022 -2.665 -1.550 446 HE2 HIS 53 HE2 HIS 53 14.901 -4.240 -3.521 447 H LEU 54 H LEU 54 9.079 0.068 -5.941 448 HA LEU 54 HA LEU 54 6.531 -1.284 -5.823 449 1HB LEU 54 2HB LEU 54 5.376 0.251 -4.454 450 2HB LEU 54 1HB LEU 54 6.809 -0.210 -3.566 451 HG LEU 54 HG LEU 54 6.548 2.370 -5.118 452 1HD1 LEU 54 1HD1 LEU 54 4.940 2.320 -3.298 453 2HD1 LEU 54 2HD1 LEU 54 6.248 3.450 -2.953 454 3HD1 LEU 54 3HD1 LEU 54 6.217 1.873 -2.165 455 1HD2 LEU 54 1HD2 LEU 54 8.497 3.067 -3.825 456 2HD2 LEU 54 2HD2 LEU 54 8.855 1.642 -4.799 457 3HD2 LEU 54 3HD2 LEU 54 8.570 1.478 -3.066 458 H GLU 55 H GLU 55 4.919 -0.312 -7.097 459 HA GLU 55 HA GLU 55 5.722 2.057 -8.651 460 1HB GLU 55 2HB GLU 55 4.379 -0.464 -9.618 461 2HB GLU 55 1HB GLU 55 4.276 1.046 -10.501 462 1HG GLU 55 2HG GLU 55 6.789 1.055 -10.558 463 2HG GLU 55 1HG GLU 55 6.722 -0.594 -9.934 464 HA PRO 56 HA PRO 56 1.856 3.796 -7.239 465 1HB PRO 56 2HB PRO 56 1.413 5.427 -9.431 466 2HB PRO 56 1HB PRO 56 2.423 5.855 -8.047 467 1HG PRO 56 2HG PRO 56 3.221 4.807 -10.727 468 2HG PRO 56 1HG PRO 56 4.012 6.033 -9.721 469 1HD PRO 56 2HD PRO 56 4.946 3.518 -9.887 470 2HD PRO 56 1HD PRO 56 5.034 4.449 -8.378 471 H THR 57 H THR 57 -0.144 2.988 -7.391 472 HA THR 57 HA THR 57 -0.751 1.341 -9.734 473 HB THR 57 HB THR 57 -2.216 1.339 -7.096 474 HG1 THR 57 HG1 THR 57 0.314 0.760 -7.458 475 1HG2 THR 57 1HG2 THR 57 -2.722 -0.992 -7.721 476 2HG2 THR 57 2HG2 THR 57 -1.865 -0.761 -9.246 477 3HG2 THR 57 3HG2 THR 57 -3.337 0.152 -8.912 478 H ASP 58 H ASP 58 -3.022 1.223 -10.394 479 HA ASP 58 HA ASP 58 -3.934 3.629 -11.411 480 1HB ASP 58 2HB ASP 58 -4.458 1.514 -12.440 481 2HB ASP 58 1HB ASP 58 -5.337 0.984 -11.016 482 H LYS 59 H LYS 59 -4.770 2.096 -8.367 483 HA LYS 59 HA LYS 59 -7.146 3.765 -8.116 484 1HB LYS 59 2HB LYS 59 -6.140 1.483 -6.428 485 2HB LYS 59 1HB LYS 59 -7.561 2.428 -6.028 486 1HG LYS 59 2HG LYS 59 -8.337 0.456 -7.062 487 2HG LYS 59 1HG LYS 59 -8.513 1.743 -8.255 488 1HD LYS 59 2HD LYS 59 -6.391 1.023 -9.295 489 2HD LYS 59 1HD LYS 59 -6.299 -0.306 -8.139 490 1HE LYS 59 2HE LYS 59 -7.180 -1.073 -10.273 491 2HE LYS 59 1HE LYS 59 -8.401 -1.204 -9.009 492 1HZ LYS 59 1HZ LYS 59 -9.558 0.636 -9.847 493 2HZ LYS 59 2HZ LYS 59 -9.133 -0.262 -11.221 494 3HZ LYS 59 3HZ LYS 59 -8.258 1.134 -10.822 495 H LYS 60 H LYS 60 -7.386 5.391 -6.753 496 HA LYS 60 HA LYS 60 -5.380 5.899 -4.675 497 1HB LYS 60 2HB LYS 60 -4.666 7.252 -6.585 498 2HB LYS 60 1HB LYS 60 -6.283 7.922 -6.745 499 1HG LYS 60 2HG LYS 60 -6.010 8.882 -4.444 500 2HG LYS 60 1HG LYS 60 -4.322 8.378 -4.512 501 1HD LYS 60 2HD LYS 60 -3.951 9.788 -6.456 502 2HD LYS 60 1HD LYS 60 -5.660 10.235 -6.484 503 1HE LYS 60 2HE LYS 60 -5.386 11.196 -4.209 504 2HE LYS 60 1HE LYS 60 -3.660 10.858 -4.312 505 1HZ LYS 60 1HZ LYS 60 -5.142 12.611 -6.204 506 2HZ LYS 60 2HZ LYS 60 -3.458 12.375 -6.136 507 3HZ LYS 60 3HZ LYS 60 -4.257 13.165 -4.872 508 H ILE 61 H ILE 61 -6.386 6.311 -2.792 509 HA ILE 61 HA ILE 61 -9.218 7.002 -2.833 510 HB ILE 61 HB ILE 61 -9.038 6.710 -0.323 511 1HG1 ILE 61 2HG1 ILE 61 -6.370 5.500 -1.080 512 2HG1 ILE 61 1HG1 ILE 61 -6.599 6.975 -0.146 513 1HG2 ILE 61 1HG2 ILE 61 -10.014 5.029 -1.788 514 2HG2 ILE 61 2HG2 ILE 61 -9.122 4.270 -0.468 515 3HG2 ILE 61 3HG2 ILE 61 -8.415 4.345 -2.083 516 1HD1 ILE 61 1HD1 ILE 61 -7.376 4.184 0.671 517 2HD1 ILE 61 2HD1 ILE 61 -7.733 5.643 1.595 518 3HD1 ILE 61 3HD1 ILE 61 -6.059 5.159 1.326 519 H ASP 62 H ASP 62 -6.151 8.277 -1.978 520 HA ASP 62 HA ASP 62 -5.358 10.339 -1.518 521 1HB ASP 62 2HB ASP 62 -6.720 11.018 -3.453 522 2HB ASP 62 1HB ASP 62 -8.088 11.275 -2.381 523 H ILE 63 H ILE 63 -4.922 10.812 0.488 524 HA ILE 63 HA ILE 63 -7.142 11.289 2.367 525 HB ILE 63 HB ILE 63 -5.852 10.180 4.141 526 1HG1 ILE 63 2HG1 ILE 63 -3.970 9.432 1.888 527 2HG1 ILE 63 1HG1 ILE 63 -3.604 10.484 3.253 528 1HG2 ILE 63 1HG2 ILE 63 -6.348 8.423 1.738 529 2HG2 ILE 63 2HG2 ILE 63 -7.544 8.912 2.938 530 3HG2 ILE 63 3HG2 ILE 63 -6.202 7.869 3.406 531 1HD1 ILE 63 1HD1 ILE 63 -3.878 8.587 4.769 532 2HD1 ILE 63 2HD1 ILE 63 -2.633 8.289 3.558 533 3HD1 ILE 63 3HD1 ILE 63 -4.220 7.542 3.390 534 H GLN 64 H GLN 64 -6.067 12.169 4.523 535 HA GLN 64 HA GLN 64 -4.451 14.476 3.776 536 1HB GLN 64 2HB GLN 64 -5.906 13.728 6.317 537 2HB GLN 64 1HB GLN 64 -4.890 15.153 6.173 538 1HG GLN 64 2HG GLN 64 -7.257 14.631 4.397 539 2HG GLN 64 1HG GLN 64 -7.352 15.538 5.906 540 1HE2 GLN 64 1HE2 GLN 64 -6.333 17.544 6.059 541 2HE2 GLN 64 2HE2 GLN 64 -5.889 18.447 4.648 542 H LYS 65 H LYS 65 -2.689 15.069 5.428 543 HA LYS 65 HA LYS 65 -0.968 12.747 5.673 544 1HB LYS 65 2HB LYS 65 -0.473 15.366 5.034 545 2HB LYS 65 1HB LYS 65 0.031 15.308 6.718 546 1HG LYS 65 2HG LYS 65 0.996 13.413 4.588 547 2HG LYS 65 1HG LYS 65 1.857 14.862 5.105 548 1HD LYS 65 2HD LYS 65 1.031 12.807 7.116 549 2HD LYS 65 1HD LYS 65 2.477 12.556 6.133 550 1HE LYS 65 2HE LYS 65 2.017 15.086 7.687 551 2HE LYS 65 1HE LYS 65 2.787 13.670 8.404 552 1HZ LYS 65 1HZ LYS 65 4.481 13.752 6.690 553 2HZ LYS 65 2HZ LYS 65 4.425 15.224 7.536 554 3HZ LYS 65 3HZ LYS 65 3.748 15.110 5.987 555 HN2 GLY 66 H GLY 66 -0.400 11.764 7.531 556 1HA GLY 66 2HA GLY 66 -0.201 11.785 9.969 557 2HA GLY 66 1HA GLY 66 -1.658 12.777 10.008 558 H ALA 67 H ALA 67 -0.993 9.953 8.027 559 HA ALA 67 HA ALA 67 -3.625 8.941 8.699 560 1HB ALA 67 1HB ALA 67 -2.939 9.090 6.365 561 2HB ALA 67 2HB ALA 67 -3.290 7.424 6.829 562 3HB ALA 67 3HB ALA 67 -1.617 7.965 6.678 563 H SER 68 H SER 68 -4.081 6.991 9.561 564 HA SER 68 HA SER 68 -1.858 5.328 10.527 565 1HB SER 68 2HB SER 68 -3.315 4.819 12.501 566 2HB SER 68 1HB SER 68 -2.838 6.517 12.415 567 HG SER 68 HG SER 68 -5.084 6.264 12.857 568 H ASP 69 H ASP 69 -3.113 3.112 11.341 569 HA ASP 69 HA ASP 69 -4.112 1.849 9.014 570 1HB ASP 69 2HB ASP 69 -3.148 0.378 10.555 571 2HB ASP 69 1HB ASP 69 -3.973 1.114 11.923 572 H GLU 70 H GLU 70 -5.573 3.665 11.560 573 HA GLU 70 HA GLU 70 -8.274 2.883 11.105 574 1HB GLU 70 2HB GLU 70 -7.375 4.055 13.156 575 2HB GLU 70 1HB GLU 70 -7.293 5.523 12.199 576 1HG GLU 70 2HG GLU 70 -9.794 5.055 11.725 577 2HG GLU 70 1HG GLU 70 -9.686 4.018 13.145 578 H GLU 71 H GLU 71 -6.385 5.730 10.148 579 HA GLU 71 HA GLU 71 -8.385 7.007 8.672 580 1HB GLU 71 2HB GLU 71 -6.408 8.203 9.340 581 2HB GLU 71 1HB GLU 71 -5.383 7.129 8.402 582 1HG GLU 71 2HG GLU 71 -5.582 9.182 7.219 583 2HG GLU 71 1HG GLU 71 -6.482 7.952 6.342 584 H VAL 72 H VAL 72 -5.821 4.810 7.535 585 HA VAL 72 HA VAL 72 -6.498 4.915 4.815 586 HB VAL 72 HB VAL 72 -5.255 2.609 6.335 587 1HG1 VAL 72 1HG1 VAL 72 -5.250 3.231 3.382 588 2HG1 VAL 72 2HG1 VAL 72 -6.108 1.904 4.165 589 3HG1 VAL 72 3HG1 VAL 72 -4.346 1.935 4.163 590 1HG2 VAL 72 1HG2 VAL 72 -3.990 4.673 6.588 591 2HG2 VAL 72 2HG2 VAL 72 -3.980 4.899 4.840 592 3HG2 VAL 72 3HG2 VAL 72 -3.122 3.536 5.558 593 H LYS 73 H LYS 73 -7.610 2.763 7.410 594 HA LYS 73 HA LYS 73 -9.264 1.159 5.740 595 1HB LYS 73 2HB LYS 73 -8.415 0.558 8.043 596 2HB LYS 73 1HB LYS 73 -9.610 1.662 8.699 597 1HG LYS 73 2HG LYS 73 -11.397 0.326 7.726 598 2HG LYS 73 1HG LYS 73 -10.206 -0.772 7.032 599 1HD LYS 73 2HD LYS 73 -10.620 -0.258 9.977 600 2HD LYS 73 1HD LYS 73 -11.201 -1.667 9.093 601 1HE LYS 73 2HE LYS 73 -9.252 -2.442 10.082 602 2HE LYS 73 1HE LYS 73 -8.720 -2.008 8.462 603 1HZ LYS 73 1HZ LYS 73 -7.123 -1.172 9.983 604 2HZ LYS 73 2HZ LYS 73 -8.310 -0.476 10.969 605 3HZ LYS 73 3HZ LYS 73 -8.000 0.169 9.436 606 H LYS 74 H LYS 74 -9.735 4.037 7.647 607 HA LYS 74 HA LYS 74 -12.495 4.342 7.577 608 1HB LYS 74 2HB LYS 74 -10.807 5.692 8.872 609 2HB LYS 74 1HB LYS 74 -10.431 6.543 7.385 610 1HG LYS 74 2HG LYS 74 -12.877 7.194 7.305 611 2HG LYS 74 1HG LYS 74 -12.980 6.602 8.965 612 1HD LYS 74 2HD LYS 74 -11.166 8.784 7.939 613 2HD LYS 74 1HD LYS 74 -12.584 8.994 8.967 614 1HE LYS 74 2HE LYS 74 -10.192 7.349 9.772 615 2HE LYS 74 1HE LYS 74 -10.337 9.069 10.128 616 1HZ LYS 74 1HZ LYS 74 -11.051 7.645 11.977 617 2HZ LYS 74 2HZ LYS 74 -12.275 6.992 11.002 618 3HZ LYS 74 3HZ LYS 74 -12.304 8.639 11.408 619 H LYS 75 H LYS 75 -10.064 5.704 5.351 620 HA LYS 75 HA LYS 75 -11.961 6.845 3.592 621 1HB LYS 75 2HB LYS 75 -9.055 6.448 3.634 622 2HB LYS 75 1HB LYS 75 -9.755 6.497 2.023 623 1HG LYS 75 2HG LYS 75 -9.035 8.700 2.674 624 2HG LYS 75 1HG LYS 75 -10.795 8.659 2.559 625 1HD LYS 75 2HD LYS 75 -10.939 8.427 4.999 626 2HD LYS 75 1HD LYS 75 -9.178 8.478 5.105 627 1HE LYS 75 2HE LYS 75 -9.203 10.726 4.107 628 2HE LYS 75 1HE LYS 75 -10.963 10.674 4.057 629 1HZ LYS 75 1HZ LYS 75 -10.252 11.894 5.972 630 2HZ LYS 75 2HZ LYS 75 -9.256 10.621 6.492 631 3HZ LYS 75 3HZ LYS 75 -10.946 10.440 6.492 632 H LEU 76 H LEU 76 -10.279 3.733 3.566 633 HA LEU 76 HA LEU 76 -11.225 2.870 1.063 634 1HB LEU 76 2HB LEU 76 -10.307 1.387 3.515 635 2HB LEU 76 1HB LEU 76 -10.805 0.562 2.056 636 HG LEU 76 HG LEU 76 -8.525 2.530 2.229 637 1HD1 LEU 76 1HD1 LEU 76 -7.090 0.567 1.952 638 2HD1 LEU 76 2HD1 LEU 76 -8.506 -0.480 2.048 639 3HD1 LEU 76 3HD1 LEU 76 -8.027 0.484 3.444 640 1HD2 LEU 76 1HD2 LEU 76 -9.563 2.492 0.028 641 2HD2 LEU 76 2HD2 LEU 76 -9.436 0.733 -0.017 642 3HD2 LEU 76 3HD2 LEU 76 -7.975 1.724 -0.019 643 H GLU 77 H GLU 77 -12.520 2.530 4.337 644 HA GLU 77 HA GLU 77 -14.714 0.884 3.685 645 1HB GLU 77 2HB GLU 77 -13.810 1.306 5.981 646 2HB GLU 77 1HB GLU 77 -14.519 2.910 5.916 647 1HG GLU 77 2HG GLU 77 -16.737 1.962 5.762 648 2HG GLU 77 1HG GLU 77 -16.063 0.333 5.733 649 H GLU 78 H GLU 78 -14.413 4.386 4.047 650 HA GLU 78 HA GLU 78 -17.064 5.115 3.597 651 1HB GLU 78 2HB GLU 78 -14.784 6.427 4.205 652 2HB GLU 78 1HB GLU 78 -14.948 6.888 2.518 653 1HG GLU 78 2HG GLU 78 -17.116 7.248 4.570 654 2HG GLU 78 1HG GLU 78 -15.928 8.484 4.168 655 H SER 79 H SER 79 -14.487 4.384 1.312 656 HA SER 79 HA SER 79 -16.198 5.089 -0.943 657 1HB SER 79 2HB SER 79 -13.821 5.796 -0.941 658 2HB SER 79 1HB SER 79 -13.333 4.103 -0.916 659 HG SER 79 HG SER 79 -14.817 4.071 -2.914 660 H ASN 80 H ASN 80 -15.880 2.489 0.995 661 HA ASN 80 HA ASN 80 -16.244 0.247 0.874 662 1HB ASN 80 2HB ASN 80 -18.320 1.321 -0.324 663 2HB ASN 80 1HB ASN 80 -17.613 0.620 -1.775 664 1HD2 ASN 80 1HD2 ASN 80 -17.445 -1.663 -1.923 665 2HD2 ASN 80 2HD2 ASN 80 -18.434 -2.695 -0.948 666 H LEU 81 H LEU 81 -13.786 1.137 -0.100 667 HA LEU 81 HA LEU 81 -13.293 -0.548 -2.469 668 1HB LEU 81 2HB LEU 81 -12.545 2.117 -1.835 669 2HB LEU 81 1HB LEU 81 -11.079 1.158 -1.848 670 HG LEU 81 HG LEU 81 -11.507 2.206 -4.020 671 1HD1 LEU 81 1HD1 LEU 81 -11.828 -0.790 -4.073 672 2HD1 LEU 81 2HD1 LEU 81 -10.304 0.087 -3.937 673 3HD1 LEU 81 3HD1 LEU 81 -11.267 0.218 -5.408 674 1HD2 LEU 81 1HD2 LEU 81 -13.388 1.465 -5.394 675 2HD2 LEU 81 2HD2 LEU 81 -13.930 2.288 -3.933 676 3HD2 LEU 81 3HD2 LEU 81 -14.008 0.530 -4.033 677 H THR 82 H THR 82 -13.115 -0.766 0.751 678 HA THR 82 HA THR 82 -10.515 -1.562 1.373 679 HB THR 82 HB THR 82 -12.971 -2.818 2.593 680 HG1 THR 82 HG1 THR 82 -13.082 -0.948 3.904 681 1HG2 THR 82 1HG2 THR 82 -10.792 -3.641 3.366 682 2HG2 THR 82 2HG2 THR 82 -11.622 -2.745 4.638 683 3HG2 THR 82 3HG2 THR 82 -10.302 -1.989 3.745 684 H GLU 83 H GLU 83 -13.123 -3.262 -0.197 685 HA GLU 83 HA GLU 83 -12.358 -5.903 0.078 686 1HB GLU 83 2HB GLU 83 -14.462 -5.083 -0.989 687 2HB GLU 83 1HB GLU 83 -13.524 -4.653 -2.412 688 1HG GLU 83 2HG GLU 83 -12.856 -7.031 -2.632 689 2HG GLU 83 1HG GLU 83 -13.935 -7.417 -1.293 690 H TYR 84 H TYR 84 -11.406 -3.603 -2.459 691 HA TYR 84 HA TYR 84 -9.895 -5.441 -3.961 692 1HB TYR 84 2HB TYR 84 -10.743 -3.310 -4.869 693 2HB TYR 84 1HB TYR 84 -9.608 -2.433 -3.848 694 HD1 TYR 84 HD1 TYR 84 -9.753 -4.964 -6.576 695 HD2 TYR 84 HD2 TYR 84 -7.457 -1.956 -4.630 696 HE1 TYR 84 HE1 TYR 84 -8.045 -5.140 -8.334 697 HE2 TYR 84 HE2 TYR 84 -5.744 -2.121 -6.387 698 HH TYR 84 HH TYR 84 -6.267 -3.751 -9.319 699 H MET 85 H MET 85 -9.060 -3.433 -1.223 700 HA MET 85 HA MET 85 -6.221 -3.724 -1.540 701 1HB MET 85 2HB MET 85 -7.385 -1.813 -0.356 702 2HB MET 85 1HB MET 85 -7.719 -2.925 0.962 703 1HG MET 85 2HG MET 85 -5.786 -1.589 1.479 704 2HG MET 85 1HG MET 85 -5.306 -3.273 1.256 705 1HE MET 85 1HE MET 85 -2.759 -2.469 1.054 706 2HE MET 85 2HE MET 85 -3.275 -0.796 1.261 707 3HE MET 85 3HE MET 85 -2.218 -1.235 -0.081 708 H LYS 86 H LYS 86 -8.768 -5.481 -0.024 709 HA LYS 86 HA LYS 86 -6.926 -7.173 1.518 710 1HB LYS 86 2HB LYS 86 -9.098 -6.126 2.420 711 2HB LYS 86 1HB LYS 86 -9.943 -7.297 1.425 712 1HG LYS 86 2HG LYS 86 -8.904 -9.118 2.666 713 2HG LYS 86 1HG LYS 86 -8.028 -7.942 3.658 714 1HD LYS 86 2HD LYS 86 -10.216 -6.990 4.351 715 2HD LYS 86 1HD LYS 86 -11.019 -8.282 3.463 716 1HE LYS 86 2HE LYS 86 -9.921 -9.941 4.887 717 2HE LYS 86 1HE LYS 86 -9.126 -8.644 5.782 718 1HZ LYS 86 1HZ LYS 86 -11.002 -9.233 7.039 719 2HZ LYS 86 2HZ LYS 86 -12.016 -9.293 5.683 720 3HZ LYS 86 3HZ LYS 86 -11.450 -7.799 6.251 721 H GLU 87 H GLU 87 -8.036 -7.012 -1.530 722 HA GLU 87 HA GLU 87 -8.941 -9.744 -1.921 723 1HB GLU 87 2HB GLU 87 -9.563 -7.350 -3.108 724 2HB GLU 87 1HB GLU 87 -8.464 -8.052 -4.282 725 1HG GLU 87 2HG GLU 87 -10.885 -9.477 -3.214 726 2HG GLU 87 1HG GLU 87 -10.896 -8.484 -4.669 727 H LYS 88 H LYS 88 -8.015 -11.022 -3.723 728 HA LYS 88 HA LYS 88 -6.350 -12.225 -4.619 729 1HB LYS 88 2HB LYS 88 -4.879 -9.592 -4.521 730 2HB LYS 88 1HB LYS 88 -4.297 -11.035 -5.325 731 1HG LYS 88 2HG LYS 88 -6.370 -10.993 -6.727 732 2HG LYS 88 1HG LYS 88 -6.713 -9.409 -6.029 733 1HD LYS 88 2HD LYS 88 -5.584 -9.238 -8.211 734 2HD LYS 88 1HD LYS 88 -4.622 -8.538 -6.906 735 1HE LYS 88 2HE LYS 88 -3.184 -10.442 -6.841 736 2HE LYS 88 1HE LYS 88 -4.245 -11.351 -7.915 737 1HZ LYS 88 1HZ LYS 88 -3.701 -9.880 -9.710 738 2HZ LYS 88 2HZ LYS 88 -2.261 -10.481 -9.039 739 3HZ LYS 88 3HZ LYS 88 -2.762 -8.895 -8.697 740 H ILE 89 H ILE 89 -3.604 -12.248 -4.215 741 HA ILE 89 HA ILE 89 -3.425 -13.497 -1.679 742 HB ILE 89 HB ILE 89 -1.146 -12.581 -3.427 743 1HG1 ILE 89 2HG1 ILE 89 -1.140 -15.173 -3.921 744 2HG1 ILE 89 1HG1 ILE 89 -2.842 -15.046 -3.497 745 1HG2 ILE 89 1HG2 ILE 89 0.151 -14.304 -2.251 746 2HG2 ILE 89 2HG2 ILE 89 -1.239 -14.611 -1.211 747 3HG2 ILE 89 3HG2 ILE 89 -0.439 -13.040 -1.170 748 1HD1 ILE 89 1HD1 ILE 89 -2.334 -14.918 -5.937 749 2HD1 ILE 89 2HD1 ILE 89 -1.530 -13.378 -5.629 750 3HD1 ILE 89 3HD1 ILE 89 -3.252 -13.556 -5.302 751 H LYS 90 H LYS 90 -2.938 -12.669 0.205 752 HA LYS 90 HA LYS 90 -1.771 -10.011 0.397 753 1HB LYS 90 2HB LYS 90 -3.461 -9.183 1.905 754 2HB LYS 90 1HB LYS 90 -4.233 -9.700 0.421 755 1HG LYS 90 2HG LYS 90 -4.179 -11.288 2.983 756 2HG LYS 90 1HG LYS 90 -5.515 -10.273 2.446 757 1HD LYS 90 2HD LYS 90 -5.608 -11.697 0.367 758 2HD LYS 90 1HD LYS 90 -4.464 -12.783 1.155 759 1HE LYS 90 2HE LYS 90 -6.596 -13.699 1.562 760 2HE LYS 90 1HE LYS 90 -6.115 -12.920 3.068 761 1HZ LYS 90 1HZ LYS 90 -7.481 -11.004 2.436 762 2HZ LYS 90 2HZ LYS 90 -8.406 -12.418 2.549 763 3HZ LYS 90 3HZ LYS 90 -7.973 -11.805 1.029 764 H ILE 91 H ILE 91 -0.622 -9.644 2.265 765 HA ILE 91 HA ILE 91 0.229 -12.076 3.583 766 HB ILE 91 HB ILE 91 1.277 -9.256 3.926 767 1HG1 ILE 91 2HG1 ILE 91 3.278 -10.333 2.650 768 2HG1 ILE 91 1HG1 ILE 91 2.093 -11.517 2.114 769 1HG2 ILE 91 1HG2 ILE 91 3.237 -10.358 4.940 770 2HG2 ILE 91 2HG2 ILE 91 2.394 -11.904 4.836 771 3HG2 ILE 91 3HG2 ILE 91 1.757 -10.620 5.862 772 1HD1 ILE 91 1HD1 ILE 91 1.945 -8.548 1.656 773 2HD1 ILE 91 2HD1 ILE 91 0.765 -9.739 1.105 774 3HD1 ILE 91 3HD1 ILE 91 2.410 -9.764 0.467 775 H ARG 92 H ARG 92 -1.348 -12.668 5.006 776 HA ARG 92 HA ARG 92 -2.177 -10.717 7.033 777 1HB ARG 92 2HB ARG 92 -3.858 -12.208 5.794 778 2HB ARG 92 1HB ARG 92 -3.207 -13.544 6.733 779 1HG ARG 92 2HG ARG 92 -5.231 -12.696 7.759 780 2HG ARG 92 1HG ARG 92 -3.842 -12.388 8.804 781 1HD ARG 92 2HD ARG 92 -3.736 -10.090 7.993 782 2HD ARG 92 1HD ARG 92 -5.108 -10.395 6.933 783 HE ARG 92 HE ARG 92 -6.222 -10.953 9.252 784 1HH1 ARG 92 1HH1 ARG 92 -3.982 -8.376 8.502 785 2HH1 ARG 92 2HH1 ARG 92 -4.670 -7.261 9.640 786 1HH2 ARG 92 1HH2 ARG 92 -7.171 -9.496 10.730 787 2HH2 ARG 92 2HH2 ARG 92 -6.520 -7.889 10.905 788 H MET 93 H MET 93 0.266 -11.017 7.525 789 HA MET 93 HA MET 93 0.737 -13.354 9.236 790 1HB MET 93 2HB MET 93 2.378 -12.960 7.449 791 2HB MET 93 1HB MET 93 2.685 -11.347 8.079 792 1HG MET 93 2HG MET 93 4.456 -12.821 8.744 793 2HG MET 93 1HG MET 93 3.523 -12.347 10.163 794 1HE MET 93 1HE MET 93 4.690 -16.012 10.995 795 2HE MET 93 2HE MET 93 4.710 -14.325 11.512 796 3HE MET 93 3HE MET 93 5.592 -14.810 10.065 797 HA PRO 94 HA PRO 94 0.177 -10.546 12.688 798 1HB PRO 94 2HB PRO 94 0.984 -12.871 14.290 799 2HB PRO 94 1HB PRO 94 -0.538 -11.978 14.304 800 1HG PRO 94 2HG PRO 94 -0.354 -14.475 13.312 801 2HG PRO 94 1HG PRO 94 -1.465 -13.268 12.638 802 1HD PRO 94 2HD PRO 94 1.204 -14.168 11.621 803 2HD PRO 94 1HD PRO 94 -0.288 -13.825 10.718 804 H THR 95 H THR 95 2.000 -9.284 12.220 805 HA THR 95 HA THR 95 4.229 -9.747 14.000 806 HB THR 95 HB THR 95 5.014 -10.930 12.016 807 HG1 THR 95 HG1 THR 95 6.336 -8.411 12.023 808 1HG2 THR 95 1HG2 THR 95 5.335 -9.756 9.876 809 2HG2 THR 95 2HG2 THR 95 4.518 -8.340 10.540 810 3HG2 THR 95 3HG2 THR 95 3.631 -9.850 10.323 811 H LEU 96 H LEU 96 5.484 -7.850 14.334 812 HA LEU 96 HA LEU 96 4.225 -5.388 13.327 813 1HB LEU 96 2HB LEU 96 5.788 -5.868 15.872 814 2HB LEU 96 1HB LEU 96 5.291 -4.286 15.315 815 HG LEU 96 HG LEU 96 3.749 -4.874 16.980 816 1HD1 LEU 96 1HD1 LEU 96 2.461 -5.549 14.348 817 2HD1 LEU 96 2HD1 LEU 96 2.707 -3.929 15.005 818 3HD1 LEU 96 3HD1 LEU 96 1.625 -5.059 15.821 819 1HD2 LEU 96 1HD2 LEU 96 3.365 -7.547 15.641 820 2HD2 LEU 96 2HD2 LEU 96 2.564 -6.979 17.107 821 3HD2 LEU 96 3HD2 LEU 96 4.304 -7.261 17.106 Start of MODEL 19 1 1H MET 1 1H MET 1 3.706 20.017 -10.366 2 2H MET 1 2H MET 1 4.802 19.018 -9.546 3 3H MET 1 3H MET 1 3.317 19.404 -8.832 4 HA MET 1 HA MET 1 2.145 18.220 -10.581 5 1HB MET 1 2HB MET 1 4.949 17.478 -11.446 6 2HB MET 1 1HB MET 1 3.488 16.703 -12.036 7 1HG MET 1 2HG MET 1 2.749 18.806 -13.008 8 2HG MET 1 1HG MET 1 4.193 19.606 -12.393 9 1HE MET 1 1HE MET 1 4.790 20.513 -14.825 10 2HE MET 1 2HE MET 1 3.317 19.755 -15.431 11 3HE MET 1 3HE MET 1 4.849 19.486 -16.257 12 HA PRO 2 HA PRO 2 2.572 15.436 -7.098 13 1HB PRO 2 2HB PRO 2 0.073 14.289 -8.134 14 2HB PRO 2 1HB PRO 2 0.401 15.023 -6.564 15 1HG PRO 2 2HG PRO 2 -1.117 16.250 -8.412 16 2HG PRO 2 1HG PRO 2 -0.061 17.154 -7.311 17 1HD PRO 2 2HD PRO 2 0.369 16.428 -10.184 18 2HD PRO 2 1HD PRO 2 0.744 17.944 -9.336 19 H ALA 3 H ALA 3 4.228 14.112 -7.671 20 HA ALA 3 HA ALA 3 3.487 11.739 -9.250 21 1HB ALA 3 1HB ALA 3 5.110 13.094 -10.478 22 2HB ALA 3 2HB ALA 3 5.820 11.561 -9.971 23 3HB ALA 3 3HB ALA 3 6.206 13.044 -9.095 24 H ILE 4 H ILE 4 3.050 10.312 -7.708 25 HA ILE 4 HA ILE 4 3.261 8.899 -5.956 26 HB ILE 4 HB ILE 4 6.131 9.837 -5.942 27 1HG1 ILE 4 2HG1 ILE 4 5.513 8.600 -7.954 28 2HG1 ILE 4 1HG1 ILE 4 6.588 7.630 -6.952 29 1HG2 ILE 4 1HG2 ILE 4 4.856 7.592 -4.387 30 2HG2 ILE 4 2HG2 ILE 4 5.558 9.067 -3.721 31 3HG2 ILE 4 3HG2 ILE 4 6.592 7.877 -4.513 32 1HD1 ILE 4 1HD1 ILE 4 4.693 6.347 -6.140 33 2HD1 ILE 4 2HD1 ILE 4 4.780 6.302 -7.900 34 3HD1 ILE 4 3HD1 ILE 4 3.597 7.340 -7.102 35 H GLU 5 H GLU 5 1.875 9.833 -4.569 36 HA GLU 5 HA GLU 5 2.994 11.348 -2.381 37 1HB GLU 5 2HB GLU 5 2.380 13.083 -4.100 38 2HB GLU 5 1HB GLU 5 0.715 12.534 -3.993 39 1HG GLU 5 2HG GLU 5 0.587 13.224 -1.687 40 2HG GLU 5 1HG GLU 5 2.298 13.643 -1.682 41 H VAL 6 H VAL 6 1.161 11.793 -0.759 42 HA VAL 6 HA VAL 6 0.161 9.364 0.092 43 HB VAL 6 HB VAL 6 -1.168 10.623 1.717 44 1HG1 VAL 6 1HG1 VAL 6 0.673 11.831 2.780 45 2HG1 VAL 6 2HG1 VAL 6 1.580 11.779 1.268 46 3HG1 VAL 6 3HG1 VAL 6 1.209 10.283 2.126 47 1HG2 VAL 6 1HG2 VAL 6 -1.196 13.067 1.681 48 2HG2 VAL 6 2HG2 VAL 6 -1.954 12.401 0.234 49 3HG2 VAL 6 3HG2 VAL 6 -0.320 13.059 0.150 50 HN2 GLY 7 H GLY 7 -1.811 8.379 0.074 51 1HA GLY 7 2HA GLY 7 -4.166 8.354 -0.260 52 2HA GLY 7 1HA GLY 7 -3.992 9.702 -1.369 53 H ARG 8 H ARG 8 -1.651 8.215 -2.661 54 HA ARG 8 HA ARG 8 -3.397 6.555 -4.332 55 1HB ARG 8 2HB ARG 8 -1.942 8.490 -5.264 56 2HB ARG 8 1HB ARG 8 -0.604 7.353 -5.103 57 1HG ARG 8 2HG ARG 8 -1.640 5.810 -6.601 58 2HG ARG 8 1HG ARG 8 -3.130 6.752 -6.628 59 1HD ARG 8 2HD ARG 8 -1.647 8.648 -7.560 60 2HD ARG 8 1HD ARG 8 -0.482 7.366 -7.888 61 HE ARG 8 HE ARG 8 -3.203 7.028 -8.890 62 1HH1 ARG 8 1HH1 ARG 8 0.159 7.693 -9.562 63 2HH1 ARG 8 2HH1 ARG 8 0.011 7.426 -11.271 64 1HH2 ARG 8 1HH2 ARG 8 -3.423 6.730 -11.130 65 2HH2 ARG 8 2HH2 ARG 8 -2.047 6.918 -12.175 66 H ILE 9 H ILE 9 -2.988 4.438 -4.724 67 HA ILE 9 HA ILE 9 -1.317 3.111 -2.761 68 HB ILE 9 HB ILE 9 -3.247 1.993 -4.810 69 1HG1 ILE 9 2HG1 ILE 9 -4.480 1.356 -2.619 70 2HG1 ILE 9 1HG1 ILE 9 -3.472 2.588 -1.869 71 1HG2 ILE 9 1HG2 ILE 9 -1.784 0.554 -2.609 72 2HG2 ILE 9 2HG2 ILE 9 -1.511 0.373 -4.342 73 3HG2 ILE 9 3HG2 ILE 9 -3.042 -0.136 -3.632 74 1HD1 ILE 9 1HD1 ILE 9 -5.437 2.995 -4.114 75 2HD1 ILE 9 2HD1 ILE 9 -4.387 4.243 -3.443 76 3HD1 ILE 9 3HD1 ILE 9 -5.626 3.496 -2.434 77 H CYS 10 H CYS 10 0.453 1.859 -3.207 78 HA CYS 10 HA CYS 10 1.293 1.683 -6.022 79 1HB CYS 10 2HB CYS 10 3.666 1.840 -5.153 80 2HB CYS 10 1HB CYS 10 2.727 3.323 -5.077 81 HG CYS 10 HG CYS 10 4.401 1.938 -2.704 82 H VAL 11 H VAL 11 2.311 -0.223 -6.638 83 HA VAL 11 HA VAL 11 2.127 -2.370 -4.634 84 HB VAL 11 HB VAL 11 0.405 -2.667 -6.304 85 1HG1 VAL 11 1HG1 VAL 11 2.613 -2.691 -8.347 86 2HG1 VAL 11 2HG1 VAL 11 1.387 -1.437 -8.151 87 3HG1 VAL 11 3HG1 VAL 11 0.917 -3.062 -8.657 88 1HG2 VAL 11 1HG2 VAL 11 0.947 -4.930 -7.069 89 2HG2 VAL 11 2HG2 VAL 11 1.434 -4.673 -5.393 90 3HG2 VAL 11 3HG2 VAL 11 2.643 -4.648 -6.677 91 H LYS 12 H LYS 12 3.760 -3.759 -4.425 92 HA LYS 12 HA LYS 12 6.343 -2.927 -5.307 93 1HB LYS 12 2HB LYS 12 5.432 -5.418 -3.858 94 2HB LYS 12 1HB LYS 12 7.112 -4.967 -4.099 95 1HG LYS 12 2HG LYS 12 6.832 -2.999 -2.747 96 2HG LYS 12 1HG LYS 12 5.099 -3.302 -2.606 97 1HD LYS 12 2HD LYS 12 6.269 -4.006 -0.586 98 2HD LYS 12 1HD LYS 12 5.561 -5.391 -1.415 99 1HE LYS 12 2HE LYS 12 7.771 -5.843 -2.443 100 2HE LYS 12 1HE LYS 12 8.449 -4.527 -1.484 101 1HZ LYS 12 1HZ LYS 12 7.870 -5.713 0.518 102 2HZ LYS 12 2HZ LYS 12 8.815 -6.705 -0.471 103 3HZ LYS 12 3HZ LYS 12 7.142 -6.956 -0.374 104 H VAL 13 H VAL 13 7.645 -3.804 -6.891 105 HA VAL 13 HA VAL 13 6.340 -5.788 -8.632 106 HB VAL 13 HB VAL 13 7.793 -5.010 -10.443 107 1HG1 VAL 13 1HG1 VAL 13 6.301 -2.806 -9.037 108 2HG1 VAL 13 2HG1 VAL 13 5.633 -3.962 -10.187 109 3HG1 VAL 13 3HG1 VAL 13 6.812 -2.767 -10.725 110 1HG2 VAL 13 1HG2 VAL 13 9.181 -3.010 -10.172 111 2HG2 VAL 13 2HG2 VAL 13 9.731 -4.323 -9.132 112 3HG2 VAL 13 3HG2 VAL 13 8.806 -2.985 -8.451 113 H LYS 14 H LYS 14 7.838 -6.411 -6.202 114 HA LYS 14 HA LYS 14 10.388 -7.429 -6.670 115 1HB LYS 14 2HB LYS 14 9.494 -7.312 -4.430 116 2HB LYS 14 1HB LYS 14 8.185 -8.403 -4.842 117 1HG LYS 14 2HG LYS 14 10.876 -9.521 -5.214 118 2HG LYS 14 1HG LYS 14 10.449 -9.126 -3.547 119 1HD LYS 14 2HD LYS 14 8.327 -10.422 -3.880 120 2HD LYS 14 1HD LYS 14 8.959 -10.939 -5.442 121 1HE LYS 14 2HE LYS 14 10.864 -11.986 -4.340 122 2HE LYS 14 1HE LYS 14 10.275 -11.434 -2.772 123 1HZ LYS 14 1HZ LYS 14 9.088 -13.478 -4.563 124 2HZ LYS 14 2HZ LYS 14 8.193 -12.750 -3.316 125 3HZ LYS 14 3HZ LYS 14 9.582 -13.644 -2.945 126 HN2 GLY 15 H GLY 15 10.811 -8.540 -8.477 127 1HA GLY 15 2HA GLY 15 10.664 -10.091 -10.163 128 2HA GLY 15 1HA GLY 15 9.962 -11.161 -8.954 129 H ARG 16 H ARG 16 7.842 -11.551 -8.966 130 HA ARG 16 HA ARG 16 5.935 -9.726 -10.072 131 1HB ARG 16 2HB ARG 16 6.862 -11.101 -12.049 132 2HB ARG 16 1HB ARG 16 6.035 -12.472 -11.324 133 1HG ARG 16 2HG ARG 16 3.903 -11.412 -11.598 134 2HG ARG 16 1HG ARG 16 4.669 -9.911 -12.127 135 1HD ARG 16 2HD ARG 16 3.829 -11.122 -14.044 136 2HD ARG 16 1HD ARG 16 5.590 -11.092 -14.076 137 HE ARG 16 HE ARG 16 3.940 -13.427 -13.344 138 1HH1 ARG 16 1HH1 ARG 16 6.971 -12.034 -14.428 139 2HH1 ARG 16 2HH1 ARG 16 7.668 -13.578 -14.841 140 1HH2 ARG 16 1HH2 ARG 16 4.847 -15.435 -13.878 141 2HH2 ARG 16 2HH2 ARG 16 6.464 -15.518 -14.522 142 H GLU 17 H GLU 17 6.699 -11.014 -7.593 143 HA GLU 17 HA GLU 17 4.440 -12.855 -7.108 144 1HB GLU 17 2HB GLU 17 7.012 -12.786 -5.544 145 2HB GLU 17 1HB GLU 17 5.793 -14.050 -5.570 146 1HG GLU 17 2HG GLU 17 6.408 -14.645 -7.828 147 2HG GLU 17 1HG GLU 17 7.572 -13.317 -7.881 148 H ALA 18 H ALA 18 5.202 -9.785 -6.622 149 HA ALA 18 HA ALA 18 4.848 -9.681 -3.739 150 1HB ALA 18 1HB ALA 18 5.316 -7.455 -5.711 151 2HB ALA 18 2HB ALA 18 6.554 -8.262 -4.747 152 3HB ALA 18 3HB ALA 18 5.305 -7.298 -3.955 153 HN2 GLY 19 H GLY 19 2.812 -10.023 -3.148 154 1HA GLY 19 2HA GLY 19 0.643 -8.731 -4.641 155 2HA GLY 19 1HA GLY 19 0.458 -10.016 -3.456 156 H SER 20 H SER 20 2.629 -7.742 -2.348 157 HA SER 20 HA SER 20 0.687 -6.810 -0.406 158 1HB SER 20 2HB SER 20 3.666 -6.314 -0.580 159 2HB SER 20 1HB SER 20 2.629 -5.920 0.791 160 HG SER 20 HG SER 20 2.315 -8.502 0.067 161 H LYS 21 H LYS 21 -0.584 -5.328 -1.391 162 HA LYS 21 HA LYS 21 0.516 -3.096 -2.854 163 1HB LYS 21 2HB LYS 21 -2.308 -3.458 -1.827 164 2HB LYS 21 1HB LYS 21 -1.776 -2.347 -3.080 165 1HG LYS 21 2HG LYS 21 -1.202 -4.254 -4.512 166 2HG LYS 21 1HG LYS 21 -1.779 -5.354 -3.258 167 1HD LYS 21 2HD LYS 21 -3.415 -3.302 -4.750 168 2HD LYS 21 1HD LYS 21 -3.500 -5.052 -4.941 169 1HE LYS 21 2HE LYS 21 -4.182 -3.514 -2.437 170 2HE LYS 21 1HE LYS 21 -5.339 -4.200 -3.575 171 1HZ LYS 21 1HZ LYS 21 -4.959 -5.592 -1.584 172 2HZ LYS 21 2HZ LYS 21 -3.351 -5.798 -2.068 173 3HZ LYS 21 3HZ LYS 21 -4.601 -6.395 -3.035 174 H CYS 22 H CYS 22 1.045 -1.149 -2.018 175 HA CYS 22 HA CYS 22 0.532 -0.789 0.863 176 1HB CYS 22 2HB CYS 22 2.899 0.286 -0.668 177 2HB CYS 22 1HB CYS 22 2.684 0.235 1.076 178 HG CYS 22 HG CYS 22 2.743 -2.697 -0.638 179 H VAL 23 H VAL 23 0.045 1.282 1.603 180 HA VAL 23 HA VAL 23 -0.770 3.181 -0.487 181 HB VAL 23 HB VAL 23 -1.640 3.101 2.411 182 1HG1 VAL 23 1HG1 VAL 23 -3.349 4.706 1.717 183 2HG1 VAL 23 2HG1 VAL 23 -2.680 4.717 0.086 184 3HG1 VAL 23 3HG1 VAL 23 -1.728 5.337 1.433 185 1HG2 VAL 23 1HG2 VAL 23 -3.781 2.268 1.572 186 2HG2 VAL 23 2HG2 VAL 23 -2.466 1.154 1.192 187 3HG2 VAL 23 3HG2 VAL 23 -3.120 2.210 -0.063 188 H ILE 24 H ILE 24 0.270 5.063 -0.675 189 HA ILE 24 HA ILE 24 2.504 5.710 0.996 190 HB ILE 24 HB ILE 24 1.138 7.495 -1.031 191 1HG1 ILE 24 2HG1 ILE 24 3.441 5.580 -1.471 192 2HG1 ILE 24 1HG1 ILE 24 1.784 5.270 -1.974 193 1HG2 ILE 24 1HG2 ILE 24 3.298 8.606 -1.164 194 2HG2 ILE 24 2HG2 ILE 24 3.969 7.482 0.016 195 3HG2 ILE 24 3HG2 ILE 24 2.707 8.616 0.498 196 1HD1 ILE 24 1HD1 ILE 24 1.880 7.219 -3.446 197 2HD1 ILE 24 2HD1 ILE 24 3.122 6.030 -3.836 198 3HD1 ILE 24 3HD1 ILE 24 3.551 7.498 -2.956 199 H VAL 25 H VAL 25 2.361 6.651 2.940 200 HA VAL 25 HA VAL 25 -0.008 8.326 3.476 201 HB VAL 25 HB VAL 25 0.115 7.616 5.829 202 1HG1 VAL 25 1HG1 VAL 25 -1.383 6.454 4.311 203 2HG1 VAL 25 2HG1 VAL 25 -0.717 5.326 5.493 204 3HG1 VAL 25 3HG1 VAL 25 -0.087 5.351 3.845 205 1HG2 VAL 25 1HG2 VAL 25 1.501 5.681 6.452 206 2HG2 VAL 25 2HG2 VAL 25 2.480 7.067 5.977 207 3HG2 VAL 25 3HG2 VAL 25 2.256 5.721 4.860 208 H ASP 26 H ASP 26 3.433 8.149 3.571 209 HA ASP 26 HA ASP 26 3.592 10.880 4.496 210 1HB ASP 26 2HB ASP 26 3.542 9.743 6.629 211 2HB ASP 26 1HB ASP 26 4.791 8.620 6.104 212 H ILE 27 H ILE 27 5.374 11.924 3.763 213 HA ILE 27 HA ILE 27 7.354 10.293 2.314 214 HB ILE 27 HB ILE 27 6.405 13.087 1.633 215 1HG1 ILE 27 2HG1 ILE 27 5.901 11.855 -0.603 216 2HG1 ILE 27 1HG1 ILE 27 5.960 10.391 0.371 217 1HG2 ILE 27 1HG2 ILE 27 7.913 12.934 -0.301 218 2HG2 ILE 27 2HG2 ILE 27 8.539 11.410 0.324 219 3HG2 ILE 27 3HG2 ILE 27 8.781 12.901 1.232 220 1HD1 ILE 27 1HD1 ILE 27 3.686 11.148 0.087 221 2HD1 ILE 27 2HD1 ILE 27 4.100 12.721 0.771 222 3HD1 ILE 27 3HD1 ILE 27 4.164 11.276 1.780 223 H ILE 28 H ILE 28 9.224 10.260 3.356 224 HA ILE 28 HA ILE 28 9.796 12.282 5.352 225 HB ILE 28 HB ILE 28 11.332 9.776 4.622 226 1HG1 ILE 28 2HG1 ILE 28 10.524 9.133 6.994 227 2HG1 ILE 28 1HG1 ILE 28 9.333 10.412 6.783 228 1HG2 ILE 28 1HG2 ILE 28 12.807 11.482 5.545 229 2HG2 ILE 28 2HG2 ILE 28 12.602 10.139 6.667 230 3HG2 ILE 28 3HG2 ILE 28 11.746 11.656 6.943 231 1HD1 ILE 28 1HD1 ILE 28 9.658 8.008 5.006 232 2HD1 ILE 28 2HD1 ILE 28 8.439 9.270 4.836 233 3HD1 ILE 28 3HD1 ILE 28 8.428 8.219 6.251 234 H ASP 29 H ASP 29 11.527 10.863 2.580 235 HA ASP 29 HA ASP 29 12.975 13.414 2.297 236 1HB ASP 29 2HB ASP 29 14.333 11.546 3.406 237 2HB ASP 29 1HB ASP 29 14.274 10.717 1.858 238 H ASP 30 H ASP 30 14.486 12.541 0.046 239 HA ASP 30 HA ASP 30 12.415 12.798 -1.969 240 1HB ASP 30 2HB ASP 30 14.496 14.133 -2.076 241 2HB ASP 30 1HB ASP 30 15.426 12.649 -2.254 242 H ASN 31 H ASN 31 14.597 10.395 -0.735 243 HA ASN 31 HA ASN 31 13.623 8.470 -2.742 244 1HB ASN 31 2HB ASN 31 15.994 8.263 -0.870 245 2HB ASN 31 1HB ASN 31 15.503 7.033 -2.024 246 1HD2 ASN 31 1HD2 ASN 31 14.822 8.955 -4.097 247 2HD2 ASN 31 2HD2 ASN 31 16.327 9.555 -4.709 248 H PHE 32 H PHE 32 13.732 9.254 0.626 249 HA PHE 32 HA PHE 32 12.858 6.607 1.463 250 1HB PHE 32 2HB PHE 32 14.622 8.276 2.561 251 2HB PHE 32 1HB PHE 32 13.177 8.856 3.374 252 HD1 PHE 32 HD1 PHE 32 14.552 5.492 2.490 253 HD2 PHE 32 HD2 PHE 32 12.976 8.058 5.503 254 HE1 PHE 32 HE1 PHE 32 14.791 3.688 4.148 255 HE2 PHE 32 HE2 PHE 32 13.204 6.254 7.161 256 HZ PHE 32 HZ PHE 32 14.115 4.069 6.485 257 H VAL 33 H VAL 33 10.788 6.143 1.690 258 HA VAL 33 HA VAL 33 8.896 8.266 2.439 259 HB VAL 33 HB VAL 33 7.209 7.315 0.881 260 1HG1 VAL 33 1HG1 VAL 33 8.436 9.312 0.251 261 2HG1 VAL 33 2HG1 VAL 33 8.122 8.309 -1.165 262 3HG1 VAL 33 3HG1 VAL 33 9.727 8.324 -0.434 263 1HG2 VAL 33 1HG2 VAL 33 8.138 5.084 0.613 264 2HG2 VAL 33 2HG2 VAL 33 9.550 5.750 -0.209 265 3HG2 VAL 33 3HG2 VAL 33 7.957 5.866 -0.959 266 H LEU 34 H LEU 34 6.786 7.367 3.205 267 HA LEU 34 HA LEU 34 7.203 4.771 4.534 268 1HB LEU 34 2HB LEU 34 7.190 6.571 6.156 269 2HB LEU 34 1HB LEU 34 5.690 7.195 5.502 270 HG LEU 34 HG LEU 34 4.515 5.168 6.261 271 1HD1 LEU 34 1HD1 LEU 34 6.333 3.574 6.172 272 2HD1 LEU 34 2HD1 LEU 34 5.645 3.619 7.798 273 3HD1 LEU 34 3HD1 LEU 34 7.178 4.428 7.463 274 1HD2 LEU 34 1HD2 LEU 34 4.646 5.630 8.676 275 2HD2 LEU 34 2HD2 LEU 34 4.535 7.100 7.708 276 3HD2 LEU 34 3HD2 LEU 34 6.086 6.608 8.391 277 H VAL 35 H VAL 35 5.992 3.262 3.715 278 HA VAL 35 HA VAL 35 3.260 3.915 2.843 279 HB VAL 35 HB VAL 35 3.413 1.983 1.281 280 1HG1 VAL 35 1HG1 VAL 35 3.744 4.273 0.496 281 2HG1 VAL 35 2HG1 VAL 35 4.726 3.130 -0.420 282 3HG1 VAL 35 3HG1 VAL 35 5.473 4.136 0.821 283 1HG2 VAL 35 1HG2 VAL 35 5.631 1.108 0.683 284 2HG2 VAL 35 2HG2 VAL 35 5.210 0.746 2.356 285 3HG2 VAL 35 3HG2 VAL 35 6.344 2.045 1.992 286 H THR 36 H THR 36 1.637 2.464 3.421 287 HA THR 36 HA THR 36 2.433 0.230 5.134 288 HB THR 36 HB THR 36 1.963 2.088 6.669 289 HG1 THR 36 HG1 THR 36 -0.240 0.806 7.406 290 1HG2 THR 36 1HG2 THR 36 0.413 3.368 5.275 291 2HG2 THR 36 2HG2 THR 36 -0.295 3.021 6.853 292 3HG2 THR 36 3HG2 THR 36 -0.798 2.095 5.440 293 HN2 GLY 37 H GLY 37 1.125 -1.511 5.057 294 1HA GLY 37 2HA GLY 37 -1.286 -1.307 3.371 295 2HA GLY 37 1HA GLY 37 -0.322 -2.774 3.549 296 HA PRO 38 HA PRO 38 -3.377 -0.979 7.302 297 1HB PRO 38 2HB PRO 38 -5.296 -2.546 5.609 298 2HB PRO 38 1HB PRO 38 -5.624 -1.223 6.735 299 1HG PRO 38 2HG PRO 38 -5.390 -0.846 4.060 300 2HG PRO 38 1HG PRO 38 -4.948 0.386 5.253 301 1HD PRO 38 2HD PRO 38 -3.228 -1.103 3.453 302 2HD PRO 38 1HD PRO 38 -2.812 0.257 4.510 303 H LYS 39 H LYS 39 -2.656 -2.175 8.891 304 HA LYS 39 HA LYS 39 -2.080 -4.938 8.731 305 1HB LYS 39 2HB LYS 39 -1.545 -4.769 11.094 306 2HB LYS 39 1HB LYS 39 -0.919 -3.360 10.250 307 1HG LYS 39 2HG LYS 39 -2.993 -2.136 11.003 308 2HG LYS 39 1HG LYS 39 -3.330 -3.524 12.038 309 1HD LYS 39 2HD LYS 39 -2.209 -1.987 13.420 310 2HD LYS 39 1HD LYS 39 -0.989 -3.186 12.984 311 1HE LYS 39 2HE LYS 39 -0.154 -1.687 11.231 312 2HE LYS 39 1HE LYS 39 -1.367 -0.490 11.679 313 1HZ LYS 39 1HZ LYS 39 1.004 -1.365 13.212 314 2HZ LYS 39 2HZ LYS 39 -0.300 -0.601 13.976 315 3HZ LYS 39 3HZ LYS 39 0.553 0.206 12.757 316 H ASP 40 H ASP 40 -4.913 -3.160 9.512 317 HA ASP 40 HA ASP 40 -6.224 -5.225 11.014 318 1HB ASP 40 2HB ASP 40 -6.687 -2.766 11.213 319 2HB ASP 40 1HB ASP 40 -7.445 -2.835 9.627 320 H ILE 41 H ILE 41 -5.940 -4.355 7.663 321 HA ILE 41 HA ILE 41 -8.063 -6.260 6.956 322 HB ILE 41 HB ILE 41 -6.820 -4.122 5.219 323 1HG1 ILE 41 2HG1 ILE 41 -9.543 -4.256 6.535 324 2HG1 ILE 41 1HG1 ILE 41 -8.223 -3.194 7.014 325 1HG2 ILE 41 1HG2 ILE 41 -7.564 -6.052 3.928 326 2HG2 ILE 41 2HG2 ILE 41 -8.608 -4.662 3.638 327 3HG2 ILE 41 3HG2 ILE 41 -9.151 -5.966 4.695 328 1HD1 ILE 41 1HD1 ILE 41 -8.354 -2.063 4.855 329 2HD1 ILE 41 2HD1 ILE 41 -9.893 -2.005 5.711 330 3HD1 ILE 41 3HD1 ILE 41 -9.673 -3.132 4.374 331 H THR 42 H THR 42 -5.121 -5.144 5.281 332 HA THR 42 HA THR 42 -4.867 -7.739 4.046 333 HB THR 42 HB THR 42 -2.951 -5.436 3.726 334 HG1 THR 42 HG1 THR 42 -4.936 -5.575 1.842 335 1HG2 THR 42 1HG2 THR 42 -2.331 -7.573 2.700 336 2HG2 THR 42 2HG2 THR 42 -2.697 -6.359 1.472 337 3HG2 THR 42 3HG2 THR 42 -3.875 -7.616 1.850 338 HN2 GLY 43 H GLY 43 -2.919 -5.700 6.222 339 1HA GLY 43 2HA GLY 43 -1.371 -6.379 7.820 340 2HA GLY 43 1HA GLY 43 -1.658 -8.047 7.344 341 H VAL 44 H VAL 44 -0.372 -5.105 5.810 342 HA VAL 44 HA VAL 44 1.648 -6.721 4.463 343 HB VAL 44 HB VAL 44 1.002 -3.776 4.208 344 1HG1 VAL 44 1HG1 VAL 44 2.421 -3.838 2.189 345 2HG1 VAL 44 2HG1 VAL 44 2.882 -5.495 2.585 346 3HG1 VAL 44 3HG1 VAL 44 3.336 -4.173 3.660 347 1HG2 VAL 44 1HG2 VAL 44 0.054 -4.401 2.036 348 2HG2 VAL 44 2HG2 VAL 44 -0.785 -5.194 3.371 349 3HG2 VAL 44 3HG2 VAL 44 0.372 -6.098 2.390 350 H LYS 45 H LYS 45 3.780 -6.655 4.923 351 HA LYS 45 HA LYS 45 4.703 -5.736 7.414 352 1HB LYS 45 2HB LYS 45 5.661 -7.580 5.916 353 2HB LYS 45 1HB LYS 45 6.432 -6.299 4.999 354 1HG LYS 45 2HG LYS 45 6.878 -6.591 7.948 355 2HG LYS 45 1HG LYS 45 7.805 -7.527 6.778 356 1HD LYS 45 2HD LYS 45 8.408 -5.328 5.687 357 2HD LYS 45 1HD LYS 45 7.700 -4.532 7.092 358 1HE LYS 45 2HE LYS 45 10.107 -4.732 7.354 359 2HE LYS 45 1HE LYS 45 9.278 -5.728 8.549 360 1HZ LYS 45 1HZ LYS 45 11.245 -6.763 7.359 361 2HZ LYS 45 2HZ LYS 45 10.253 -6.848 5.985 362 3HZ LYS 45 3HZ LYS 45 9.820 -7.679 7.395 363 H ARG 46 H ARG 46 4.440 -3.610 7.802 364 HA ARG 46 HA ARG 46 5.031 -1.625 5.796 365 1HB ARG 46 2HB ARG 46 4.342 -0.029 7.656 366 2HB ARG 46 1HB ARG 46 3.111 -1.141 7.070 367 1HG ARG 46 2HG ARG 46 3.529 -2.603 8.996 368 2HG ARG 46 1HG ARG 46 4.735 -1.458 9.586 369 1HD ARG 46 2HD ARG 46 1.912 -0.608 9.030 370 2HD ARG 46 1HD ARG 46 2.362 -1.346 10.567 371 HE ARG 46 HE ARG 46 4.131 0.574 10.534 372 1HH1 ARG 46 1HH1 ARG 46 0.860 0.807 9.289 373 2HH1 ARG 46 2HH1 ARG 46 0.636 2.437 9.823 374 1HH2 ARG 46 1HH2 ARG 46 3.835 2.744 11.235 375 2HH2 ARG 46 2HH2 ARG 46 2.306 3.528 10.965 376 H ARG 47 H ARG 47 6.591 -0.082 5.859 377 HA ARG 47 HA ARG 47 8.411 0.346 7.981 378 1HB ARG 47 2HB ARG 47 9.250 -1.870 7.290 379 2HB ARG 47 1HB ARG 47 9.437 -1.290 5.642 380 1HG ARG 47 2HG ARG 47 11.055 0.414 6.552 381 2HG ARG 47 1HG ARG 47 10.984 -0.463 8.081 382 1HD ARG 47 2HD ARG 47 11.780 -2.482 6.986 383 2HD ARG 47 1HD ARG 47 11.783 -1.657 5.427 384 HE ARG 47 HE ARG 47 13.595 -1.050 7.675 385 1HH1 ARG 47 1HH1 ARG 47 12.824 -0.981 4.267 386 2HH1 ARG 47 2HH1 ARG 47 14.385 -0.397 3.779 387 1HH2 ARG 47 1HH2 ARG 47 15.665 -0.271 7.055 388 2HH2 ARG 47 2HH2 ARG 47 15.997 0.024 5.369 389 H ARG 48 H ARG 48 9.785 2.132 7.514 390 HA ARG 48 HA ARG 48 9.124 3.723 5.228 391 1HB ARG 48 2HB ARG 48 11.286 3.926 7.325 392 2HB ARG 48 1HB ARG 48 11.163 5.064 5.993 393 1HG ARG 48 2HG ARG 48 8.976 5.767 6.751 394 2HG ARG 48 1HG ARG 48 9.018 4.566 8.048 395 1HD ARG 48 2HD ARG 48 10.806 5.675 9.137 396 2HD ARG 48 1HD ARG 48 11.107 6.707 7.743 397 HE ARG 48 HE ARG 48 8.522 7.247 8.561 398 1HH1 ARG 48 1HH1 ARG 48 11.699 7.368 10.012 399 2HH1 ARG 48 2HH1 ARG 48 11.363 8.791 10.960 400 1HH2 ARG 48 1HH2 ARG 48 8.055 9.124 9.793 401 2HH2 ARG 48 2HH2 ARG 48 9.292 9.809 10.814 402 H VAL 49 H VAL 49 9.856 3.375 3.228 403 HA VAL 49 HA VAL 49 12.424 1.978 2.901 404 HB VAL 49 HB VAL 49 11.458 0.760 0.965 405 1HG1 VAL 49 1HG1 VAL 49 11.637 -0.358 3.113 406 2HG1 VAL 49 2HG1 VAL 49 10.179 -0.879 2.269 407 3HG1 VAL 49 3HG1 VAL 49 10.065 0.280 3.593 408 1HG2 VAL 49 1HG2 VAL 49 9.020 0.619 0.732 409 2HG2 VAL 49 2HG2 VAL 49 9.612 2.254 0.448 410 3HG2 VAL 49 3HG2 VAL 49 8.838 1.850 1.980 411 H ASN 50 H ASN 50 12.894 1.988 0.363 412 HA ASN 50 HA ASN 50 12.669 4.792 -0.464 413 1HB ASN 50 2HB ASN 50 14.640 4.358 -1.897 414 2HB ASN 50 1HB ASN 50 14.978 4.067 -0.197 415 1HD2 ASN 50 1HD2 ASN 50 16.255 3.050 -2.675 416 2HD2 ASN 50 2HD2 ASN 50 16.236 1.331 -2.521 417 H ILE 51 H ILE 51 11.996 5.315 -2.529 418 HA ILE 51 HA ILE 51 10.286 3.398 -3.796 419 HB ILE 51 HB ILE 51 9.480 5.623 -3.780 420 1HG1 ILE 51 2HG1 ILE 51 10.438 5.001 -6.575 421 2HG1 ILE 51 1HG1 ILE 51 8.992 4.346 -5.822 422 1HG2 ILE 51 1HG2 ILE 51 10.632 7.518 -4.824 423 2HG2 ILE 51 2HG2 ILE 51 12.017 6.478 -5.163 424 3HG2 ILE 51 3HG2 ILE 51 11.562 6.826 -3.496 425 1HD1 ILE 51 1HD1 ILE 51 8.029 6.590 -5.719 426 2HD1 ILE 51 2HD1 ILE 51 8.459 6.144 -7.371 427 3HD1 ILE 51 3HD1 ILE 51 9.488 7.248 -6.457 428 H LEU 52 H LEU 52 11.642 1.801 -4.413 429 HA LEU 52 HA LEU 52 13.467 2.437 -6.633 430 1HB LEU 52 2HB LEU 52 14.634 1.646 -4.628 431 2HB LEU 52 1HB LEU 52 13.667 0.185 -4.634 432 HG LEU 52 HG LEU 52 14.676 -0.455 -6.795 433 1HD1 LEU 52 1HD1 LEU 52 16.657 0.760 -7.590 434 2HD1 LEU 52 2HD1 LEU 52 16.375 2.000 -6.371 435 3HD1 LEU 52 3HD1 LEU 52 15.199 1.750 -7.660 436 1HD2 LEU 52 1HD2 LEU 52 16.907 -0.993 -5.907 437 2HD2 LEU 52 2HD2 LEU 52 15.629 -1.306 -4.731 438 3HD2 LEU 52 3HD2 LEU 52 16.635 0.134 -4.578 439 H HIS 53 H HIS 53 11.498 -0.266 -5.355 440 HA HIS 53 HA HIS 53 11.023 -1.055 -8.141 441 1HB HIS 53 2HB HIS 53 12.082 -2.686 -5.909 442 2HB HIS 53 1HB HIS 53 10.865 -3.457 -6.921 443 HD1 HIS 53 HD1 HIS 53 12.393 -5.072 -8.156 444 HD2 HIS 53 HD2 HIS 53 13.666 -1.119 -8.373 445 HE1 HIS 53 HE1 HIS 53 14.226 -5.045 -9.870 446 HE2 HIS 53 HE2 HIS 53 14.761 -2.600 -10.185 447 H LEU 54 H LEU 54 9.208 0.477 -7.382 448 HA LEU 54 HA LEU 54 6.925 -1.286 -7.156 449 1HB LEU 54 2HB LEU 54 5.803 0.186 -5.485 450 2HB LEU 54 1HB LEU 54 7.163 -0.717 -4.852 451 HG LEU 54 HG LEU 54 8.488 1.498 -5.332 452 1HD1 LEU 54 1HD1 LEU 54 5.676 2.539 -5.020 453 2HD1 LEU 54 2HD1 LEU 54 6.662 2.647 -6.477 454 3HD1 LEU 54 3HD1 LEU 54 7.151 3.505 -5.017 455 1HD2 LEU 54 1HD2 LEU 54 6.568 1.242 -3.023 456 2HD2 LEU 54 2HD2 LEU 54 8.031 2.228 -3.060 457 3HD2 LEU 54 3HD2 LEU 54 8.149 0.469 -3.140 458 H GLU 55 H GLU 55 5.078 -0.480 -8.194 459 HA GLU 55 HA GLU 55 5.373 2.173 -9.406 460 1HB GLU 55 2HB GLU 55 4.137 1.282 -11.394 461 2HB GLU 55 1HB GLU 55 5.759 0.649 -11.193 462 1HG GLU 55 2HG GLU 55 4.811 -1.408 -10.237 463 2HG GLU 55 1HG GLU 55 3.190 -0.764 -10.508 464 HA PRO 56 HA PRO 56 1.572 2.998 -7.435 465 1HB PRO 56 2HB PRO 56 0.783 5.199 -8.768 466 2HB PRO 56 1HB PRO 56 2.189 5.200 -7.698 467 1HG PRO 56 2HG PRO 56 2.082 5.009 -10.682 468 2HG PRO 56 1HG PRO 56 3.178 5.956 -9.661 469 1HD PRO 56 2HD PRO 56 3.857 3.560 -10.783 470 2HD PRO 56 1HD PRO 56 4.559 4.164 -9.271 471 H THR 57 H THR 57 -0.576 2.628 -7.549 472 HA THR 57 HA THR 57 -1.617 1.431 -9.984 473 HB THR 57 HB THR 57 -3.129 1.836 -7.402 474 HG1 THR 57 HG1 THR 57 -0.888 0.347 -7.830 475 1HG2 THR 57 1HG2 THR 57 -4.395 1.020 -9.348 476 2HG2 THR 57 2HG2 THR 57 -4.284 -0.204 -8.081 477 3HG2 THR 57 3HG2 THR 57 -3.259 -0.322 -9.512 478 H ASP 58 H ASP 58 -3.791 2.095 -10.749 479 HA ASP 58 HA ASP 58 -3.752 4.795 -11.515 480 1HB ASP 58 2HB ASP 58 -6.009 2.787 -11.677 481 2HB ASP 58 1HB ASP 58 -5.987 4.340 -12.503 482 H LYS 59 H LYS 59 -5.665 3.112 -9.076 483 HA LYS 59 HA LYS 59 -7.494 5.293 -8.755 484 1HB LYS 59 2HB LYS 59 -7.138 2.792 -7.092 485 2HB LYS 59 1HB LYS 59 -8.468 3.930 -6.939 486 1HG LYS 59 2HG LYS 59 -9.361 2.184 -8.185 487 2HG LYS 59 1HG LYS 59 -8.959 3.397 -9.398 488 1HD LYS 59 2HD LYS 59 -6.939 2.214 -9.979 489 2HD LYS 59 1HD LYS 59 -7.191 1.061 -8.670 490 1HE LYS 59 2HE LYS 59 -7.839 0.043 -10.751 491 2HE LYS 59 1HE LYS 59 -9.278 0.321 -9.776 492 1HZ LYS 59 1HZ LYS 59 -9.314 0.908 -12.262 493 2HZ LYS 59 2HZ LYS 59 -8.456 2.296 -11.809 494 3HZ LYS 59 3HZ LYS 59 -9.996 2.004 -11.164 495 H LYS 60 H LYS 60 -7.886 6.439 -6.808 496 HA LYS 60 HA LYS 60 -5.679 6.570 -4.882 497 1HB LYS 60 2HB LYS 60 -5.314 8.378 -6.541 498 2HB LYS 60 1HB LYS 60 -6.936 8.980 -6.232 499 1HG LYS 60 2HG LYS 60 -6.275 9.398 -3.878 500 2HG LYS 60 1HG LYS 60 -4.630 8.922 -4.298 501 1HD LYS 60 2HD LYS 60 -4.570 10.737 -5.975 502 2HD LYS 60 1HD LYS 60 -6.189 11.225 -5.469 503 1HE LYS 60 2HE LYS 60 -5.316 11.587 -3.180 504 2HE LYS 60 1HE LYS 60 -3.698 11.208 -3.766 505 1HZ LYS 60 1HZ LYS 60 -3.996 13.096 -5.369 506 2HZ LYS 60 2HZ LYS 60 -3.907 13.554 -3.742 507 3HZ LYS 60 3HZ LYS 60 -5.411 13.511 -4.529 508 H ILE 61 H ILE 61 -6.456 6.516 -2.844 509 HA ILE 61 HA ILE 61 -9.311 6.614 -2.403 510 HB ILE 61 HB ILE 61 -8.681 6.311 0.008 511 1HG1 ILE 61 2HG1 ILE 61 -5.911 5.929 -1.124 512 2HG1 ILE 61 1HG1 ILE 61 -6.423 7.292 -0.139 513 1HG2 ILE 61 1HG2 ILE 61 -9.331 4.432 -1.351 514 2HG2 ILE 61 2HG2 ILE 61 -7.998 3.949 -0.301 515 3HG2 ILE 61 3HG2 ILE 61 -7.699 4.296 -2.004 516 1HD1 ILE 61 1HD1 ILE 61 -6.815 5.826 1.742 517 2HD1 ILE 61 2HD1 ILE 61 -5.170 5.615 1.136 518 3HD1 ILE 61 3HD1 ILE 61 -6.410 4.420 0.758 519 H ASP 62 H ASP 62 -6.679 8.688 -2.180 520 HA ASP 62 HA ASP 62 -6.438 10.905 -1.892 521 1HB ASP 62 2HB ASP 62 -8.406 11.194 -3.250 522 2HB ASP 62 1HB ASP 62 -9.449 10.878 -1.868 523 H ILE 63 H ILE 63 -5.388 10.926 -0.030 524 HA ILE 63 HA ILE 63 -6.951 11.711 2.330 525 HB ILE 63 HB ILE 63 -5.264 10.684 3.795 526 1HG1 ILE 63 2HG1 ILE 63 -4.116 9.504 1.251 527 2HG1 ILE 63 1HG1 ILE 63 -3.368 10.777 2.211 528 1HG2 ILE 63 1HG2 ILE 63 -5.858 8.326 3.437 529 2HG2 ILE 63 2HG2 ILE 63 -6.487 8.742 1.843 530 3HG2 ILE 63 3HG2 ILE 63 -7.250 9.402 3.289 531 1HD1 ILE 63 1HD1 ILE 63 -3.203 9.212 4.099 532 2HD1 ILE 63 2HD1 ILE 63 -2.325 8.655 2.674 533 3HD1 ILE 63 3HD1 ILE 63 -3.886 7.942 3.081 534 H GLN 64 H GLN 64 -5.403 12.940 3.899 535 HA GLN 64 HA GLN 64 -3.968 14.853 2.237 536 1HB GLN 64 2HB GLN 64 -4.871 14.947 5.112 537 2HB GLN 64 1HB GLN 64 -3.867 16.193 4.376 538 1HG GLN 64 2HG GLN 64 -5.623 16.538 2.668 539 2HG GLN 64 1HG GLN 64 -6.637 15.378 3.521 540 1HE2 GLN 64 1HE2 GLN 64 -7.013 18.228 2.933 541 2HE2 GLN 64 2HE2 GLN 64 -7.304 18.978 4.469 542 H LYS 65 H LYS 65 -1.888 15.648 2.891 543 HA LYS 65 HA LYS 65 -0.126 13.429 3.078 544 1HB LYS 65 2HB LYS 65 0.183 15.474 1.646 545 2HB LYS 65 1HB LYS 65 0.578 16.363 3.110 546 1HG LYS 65 2HG LYS 65 2.626 15.397 3.311 547 2HG LYS 65 1HG LYS 65 2.117 13.892 2.540 548 1HD LYS 65 2HD LYS 65 3.702 15.291 1.180 549 2HD LYS 65 1HD LYS 65 2.187 14.888 0.370 550 1HE LYS 65 2HE LYS 65 1.303 17.108 1.080 551 2HE LYS 65 1HE LYS 65 2.908 17.499 1.693 552 1HZ LYS 65 1HZ LYS 65 2.393 18.345 -0.577 553 2HZ LYS 65 2HZ LYS 65 2.395 16.738 -1.135 554 3HZ LYS 65 3HZ LYS 65 3.805 17.417 -0.472 555 HN2 GLY 66 H GLY 66 0.099 12.450 4.969 556 1HA GLY 66 2HA GLY 66 1.378 12.495 7.055 557 2HA GLY 66 1HA GLY 66 0.729 14.107 7.328 558 H ALA 67 H ALA 67 -0.787 11.053 6.342 559 HA ALA 67 HA ALA 67 -2.906 11.543 8.287 560 1HB ALA 67 1HB ALA 67 -2.774 9.522 6.050 561 2HB ALA 67 2HB ALA 67 -3.545 11.105 5.960 562 3HB ALA 67 3HB ALA 67 -4.180 9.877 7.054 563 H SER 68 H SER 68 -3.882 9.127 8.877 564 HA SER 68 HA SER 68 -1.664 7.778 10.274 565 1HB SER 68 2HB SER 68 -4.550 7.848 11.175 566 2HB SER 68 1HB SER 68 -3.141 7.332 12.104 567 HG SER 68 HG SER 68 -4.124 9.871 11.629 568 H ASP 69 H ASP 69 -1.858 5.459 10.545 569 HA ASP 69 HA ASP 69 -2.652 4.077 8.225 570 1HB ASP 69 2HB ASP 69 -0.931 3.223 9.749 571 2HB ASP 69 1HB ASP 69 -2.132 3.021 11.018 572 H GLU 70 H GLU 70 -4.153 4.390 11.396 573 HA GLU 70 HA GLU 70 -6.452 2.890 11.113 574 1HB GLU 70 2HB GLU 70 -5.754 4.079 13.162 575 2HB GLU 70 1HB GLU 70 -6.159 5.607 12.405 576 1HG GLU 70 2HG GLU 70 -8.516 4.527 12.139 577 2HG GLU 70 1HG GLU 70 -7.955 3.476 13.441 578 H GLU 71 H GLU 71 -5.916 6.265 10.286 579 HA GLU 71 HA GLU 71 -8.500 6.823 9.330 580 1HB GLU 71 2HB GLU 71 -6.797 8.500 10.057 581 2HB GLU 71 1HB GLU 71 -5.924 8.198 8.561 582 1HG GLU 71 2HG GLU 71 -7.801 9.006 7.267 583 2HG GLU 71 1HG GLU 71 -8.741 9.236 8.743 584 H VAL 72 H VAL 72 -5.560 5.745 7.695 585 HA VAL 72 HA VAL 72 -6.507 5.909 5.057 586 HB VAL 72 HB VAL 72 -4.476 4.015 6.259 587 1HG1 VAL 72 1HG1 VAL 72 -5.043 4.641 3.358 588 2HG1 VAL 72 2HG1 VAL 72 -5.322 3.101 4.169 589 3HG1 VAL 72 3HG1 VAL 72 -3.676 3.694 3.952 590 1HG2 VAL 72 1HG2 VAL 72 -2.834 5.557 5.315 591 2HG2 VAL 72 2HG2 VAL 72 -3.893 6.377 6.465 592 3HG2 VAL 72 3HG2 VAL 72 -4.136 6.593 4.730 593 H LYS 73 H LYS 73 -6.698 3.330 7.465 594 HA LYS 73 HA LYS 73 -7.922 1.412 5.796 595 1HB LYS 73 2HB LYS 73 -6.907 1.205 8.220 596 2HB LYS 73 1HB LYS 73 -8.556 1.547 8.721 597 1HG LYS 73 2HG LYS 73 -8.905 -0.399 6.829 598 2HG LYS 73 1HG LYS 73 -7.397 -0.881 7.600 599 1HD LYS 73 2HD LYS 73 -9.188 -1.958 8.750 600 2HD LYS 73 1HD LYS 73 -8.560 -0.690 9.807 601 1HE LYS 73 2HE LYS 73 -10.399 0.703 9.416 602 2HE LYS 73 1HE LYS 73 -10.883 -0.197 7.978 603 1HZ LYS 73 1HZ LYS 73 -10.994 -1.270 10.747 604 2HZ LYS 73 2HZ LYS 73 -11.563 -2.032 9.344 605 3HZ LYS 73 3HZ LYS 73 -12.316 -0.622 9.911 606 H LYS 74 H LYS 74 -9.206 3.966 7.859 607 HA LYS 74 HA LYS 74 -11.949 3.342 7.501 608 1HB LYS 74 2HB LYS 74 -10.527 5.892 8.265 609 2HB LYS 74 1HB LYS 74 -12.279 5.765 8.197 610 1HG LYS 74 2HG LYS 74 -12.248 4.048 9.903 611 2HG LYS 74 1HG LYS 74 -10.484 4.078 9.927 612 1HD LYS 74 2HD LYS 74 -10.456 6.292 10.805 613 2HD LYS 74 1HD LYS 74 -12.192 6.481 10.544 614 1HE LYS 74 2HE LYS 74 -12.671 4.821 12.225 615 2HE LYS 74 1HE LYS 74 -10.956 4.458 12.408 616 1HZ LYS 74 1HZ LYS 74 -12.166 7.106 13.001 617 2HZ LYS 74 2HZ LYS 74 -10.573 6.613 13.324 618 3HZ LYS 74 3HZ LYS 74 -11.866 5.912 14.168 619 H LYS 75 H LYS 75 -9.702 5.420 5.716 620 HA LYS 75 HA LYS 75 -11.594 6.451 3.900 621 1HB LYS 75 2HB LYS 75 -8.625 6.087 3.804 622 2HB LYS 75 1HB LYS 75 -9.491 6.598 2.361 623 1HG LYS 75 2HG LYS 75 -9.500 8.009 5.025 624 2HG LYS 75 1HG LYS 75 -8.615 8.507 3.579 625 1HD LYS 75 2HD LYS 75 -10.730 8.775 2.377 626 2HD LYS 75 1HD LYS 75 -11.615 8.265 3.813 627 1HE LYS 75 2HE LYS 75 -10.628 10.206 5.023 628 2HE LYS 75 1HE LYS 75 -9.925 10.738 3.494 629 1HZ LYS 75 1HZ LYS 75 -12.127 10.956 2.565 630 2HZ LYS 75 2HZ LYS 75 -12.040 11.847 4.006 631 3HZ LYS 75 3HZ LYS 75 -12.830 10.348 3.983 632 H LEU 76 H LEU 76 -9.841 3.414 3.980 633 HA LEU 76 HA LEU 76 -10.654 2.502 1.423 634 1HB LEU 76 2HB LEU 76 -9.886 0.998 3.924 635 2HB LEU 76 1HB LEU 76 -10.157 0.246 2.370 636 HG LEU 76 HG LEU 76 -8.007 2.269 2.976 637 1HD1 LEU 76 1HD1 LEU 76 -7.610 0.107 4.036 638 2HD1 LEU 76 2HD1 LEU 76 -6.474 0.397 2.719 639 3HD1 LEU 76 3HD1 LEU 76 -7.835 -0.698 2.483 640 1HD2 LEU 76 1HD2 LEU 76 -8.790 2.413 0.671 641 2HD2 LEU 76 2HD2 LEU 76 -8.562 0.675 0.477 642 3HD2 LEU 76 3HD2 LEU 76 -7.169 1.722 0.747 643 H GLU 77 H GLU 77 -12.030 2.319 4.666 644 HA GLU 77 HA GLU 77 -14.234 0.702 4.079 645 1HB GLU 77 2HB GLU 77 -13.691 2.779 6.189 646 2HB GLU 77 1HB GLU 77 -15.137 1.811 6.163 647 1HG GLU 77 2HG GLU 77 -13.734 -0.224 6.277 648 2HG GLU 77 1HG GLU 77 -12.324 0.820 6.443 649 H GLU 78 H GLU 78 -13.873 4.238 4.214 650 HA GLU 78 HA GLU 78 -16.525 4.891 3.587 651 1HB GLU 78 2HB GLU 78 -13.993 6.442 3.031 652 2HB GLU 78 1HB GLU 78 -15.617 7.098 2.904 653 1HG GLU 78 2HG GLU 78 -15.920 6.507 5.338 654 2HG GLU 78 1HG GLU 78 -14.191 6.168 5.379 655 H SER 79 H SER 79 -13.790 4.137 1.534 656 HA SER 79 HA SER 79 -15.280 4.746 -0.883 657 1HB SER 79 2HB SER 79 -12.880 5.278 -0.775 658 2HB SER 79 1HB SER 79 -12.510 3.572 -0.519 659 HG SER 79 HG SER 79 -13.828 3.393 -2.626 660 H ASN 80 H ASN 80 -15.212 2.219 1.232 661 HA ASN 80 HA ASN 80 -15.901 0.054 1.195 662 1HB ASN 80 2HB ASN 80 -17.770 1.278 -0.115 663 2HB ASN 80 1HB ASN 80 -17.049 0.556 -1.548 664 1HD2 ASN 80 1HD2 ASN 80 -18.829 -0.022 1.369 665 2HD2 ASN 80 2HD2 ASN 80 -19.282 -1.653 1.011 666 H LEU 81 H LEU 81 -13.290 0.690 0.179 667 HA LEU 81 HA LEU 81 -12.888 -1.063 -2.135 668 1HB LEU 81 2HB LEU 81 -11.919 1.286 -1.947 669 2HB LEU 81 1HB LEU 81 -10.842 0.647 -0.721 670 HG LEU 81 HG LEU 81 -9.972 -0.970 -2.429 671 1HD1 LEU 81 1HD1 LEU 81 -10.408 -0.486 -4.785 672 2HD1 LEU 81 2HD1 LEU 81 -11.593 0.733 -4.316 673 3HD1 LEU 81 3HD1 LEU 81 -11.878 -0.965 -3.937 674 1HD2 LEU 81 1HD2 LEU 81 -8.761 1.058 -1.888 675 2HD2 LEU 81 2HD2 LEU 81 -9.720 1.968 -3.055 676 3HD2 LEU 81 3HD2 LEU 81 -8.623 0.703 -3.610 677 H THR 82 H THR 82 -13.326 -1.738 0.871 678 HA THR 82 HA THR 82 -11.038 -2.803 2.013 679 HB THR 82 HB THR 82 -13.817 -3.950 2.294 680 HG1 THR 82 HG1 THR 82 -13.196 -2.166 4.203 681 1HG2 THR 82 1HG2 THR 82 -11.484 -3.807 4.209 682 2HG2 THR 82 2HG2 THR 82 -12.076 -5.255 3.394 683 3HG2 THR 82 3HG2 THR 82 -13.086 -4.443 4.589 684 H GLU 83 H GLU 83 -13.415 -4.443 -0.086 685 HA GLU 83 HA GLU 83 -12.271 -7.009 0.067 686 1HB GLU 83 2HB GLU 83 -14.562 -6.545 -0.760 687 2HB GLU 83 1HB GLU 83 -13.877 -5.818 -2.203 688 1HG GLU 83 2HG GLU 83 -12.829 -7.975 -2.761 689 2HG GLU 83 1HG GLU 83 -13.608 -8.692 -1.353 690 H TYR 84 H TYR 84 -11.914 -4.447 -2.327 691 HA TYR 84 HA TYR 84 -10.225 -5.831 -4.092 692 1HB TYR 84 2HB TYR 84 -11.573 -3.666 -4.447 693 2HB TYR 84 1HB TYR 84 -10.200 -2.843 -3.720 694 HD1 TYR 84 HD1 TYR 84 -11.214 -4.997 -6.554 695 HD2 TYR 84 HD2 TYR 84 -8.279 -2.335 -5.004 696 HE1 TYR 84 HE1 TYR 84 -10.140 -4.903 -8.763 697 HE2 TYR 84 HE2 TYR 84 -7.191 -2.239 -7.210 698 HH TYR 84 HH TYR 84 -7.043 -3.571 -9.269 699 H MET 85 H MET 85 -9.579 -4.253 -1.079 700 HA MET 85 HA MET 85 -6.747 -3.958 -1.563 701 1HB MET 85 2HB MET 85 -8.556 -2.853 0.253 702 2HB MET 85 1HB MET 85 -7.519 -3.879 1.235 703 1HG MET 85 2HG MET 85 -6.663 -1.632 -0.572 704 2HG MET 85 1HG MET 85 -6.620 -1.664 1.190 705 1HE MET 85 1HE MET 85 -4.096 -0.885 1.173 706 2HE MET 85 2HE MET 85 -4.113 -0.834 -0.589 707 3HE MET 85 3HE MET 85 -2.822 -1.687 0.254 708 H LYS 86 H LYS 86 -8.880 -6.371 -0.275 709 HA LYS 86 HA LYS 86 -6.968 -7.865 1.171 710 1HB LYS 86 2HB LYS 86 -9.624 -8.564 -0.070 711 2HB LYS 86 1HB LYS 86 -8.692 -9.663 0.911 712 1HG LYS 86 2HG LYS 86 -8.882 -8.163 2.816 713 2HG LYS 86 1HG LYS 86 -9.812 -7.035 1.824 714 1HD LYS 86 2HD LYS 86 -11.308 -8.381 3.187 715 2HD LYS 86 1HD LYS 86 -11.521 -8.774 1.480 716 1HE LYS 86 2HE LYS 86 -9.973 -10.710 1.820 717 2HE LYS 86 1HE LYS 86 -9.996 -10.359 3.545 718 1HZ LYS 86 1HZ LYS 86 -11.591 -12.040 3.158 719 2HZ LYS 86 2HZ LYS 86 -12.262 -11.215 1.837 720 3HZ LYS 86 3HZ LYS 86 -12.478 -10.612 3.407 721 H GLU 87 H GLU 87 -8.059 -7.784 -2.150 722 HA GLU 87 HA GLU 87 -7.160 -10.284 -2.972 723 1HB GLU 87 2HB GLU 87 -7.561 -7.755 -4.566 724 2HB GLU 87 1HB GLU 87 -7.375 -9.363 -5.246 725 1HG GLU 87 2HG GLU 87 -9.606 -8.394 -3.487 726 2HG GLU 87 1HG GLU 87 -9.701 -8.804 -5.199 727 H LYS 88 H LYS 88 -5.286 -11.074 -3.459 728 HA LYS 88 HA LYS 88 -2.942 -9.293 -3.529 729 1HB LYS 88 2HB LYS 88 -1.650 -11.221 -2.749 730 2HB LYS 88 1HB LYS 88 -2.997 -10.916 -1.659 731 1HG LYS 88 2HG LYS 88 -4.274 -12.710 -2.737 732 2HG LYS 88 1HG LYS 88 -2.914 -13.023 -3.810 733 1HD LYS 88 2HD LYS 88 -2.880 -14.638 -2.042 734 2HD LYS 88 1HD LYS 88 -1.528 -13.527 -1.807 735 1HE LYS 88 2HE LYS 88 -2.701 -12.365 -0.073 736 2HE LYS 88 1HE LYS 88 -4.185 -13.258 -0.409 737 1HZ LYS 88 1HZ LYS 88 -2.965 -14.077 1.554 738 2HZ LYS 88 2HZ LYS 88 -1.661 -14.501 0.552 739 3HZ LYS 88 3HZ LYS 88 -3.169 -15.265 0.360 740 H ILE 89 H ILE 89 -1.123 -10.114 -4.904 741 HA ILE 89 HA ILE 89 -2.007 -11.036 -7.471 742 HB ILE 89 HB ILE 89 0.750 -10.571 -6.349 743 1HG1 ILE 89 2HG1 ILE 89 0.794 -8.803 -8.156 744 2HG1 ILE 89 1HG1 ILE 89 -0.909 -9.139 -8.429 745 1HG2 ILE 89 1HG2 ILE 89 0.918 -12.416 -7.897 746 2HG2 ILE 89 2HG2 ILE 89 1.637 -10.968 -8.603 747 3HG2 ILE 89 3HG2 ILE 89 0.036 -11.498 -9.116 748 1HD1 ILE 89 1HD1 ILE 89 -0.565 -7.149 -7.063 749 2HD1 ILE 89 2HD1 ILE 89 0.279 -8.123 -5.858 750 3HD1 ILE 89 3HD1 ILE 89 -1.431 -8.406 -6.177 751 H LYS 90 H LYS 90 -1.780 -13.043 -8.323 752 HA LYS 90 HA LYS 90 -1.487 -15.143 -6.294 753 1HB LYS 90 2HB LYS 90 -3.132 -15.176 -8.833 754 2HB LYS 90 1HB LYS 90 -3.103 -16.426 -7.594 755 1HG LYS 90 2HG LYS 90 -4.171 -15.037 -6.022 756 2HG LYS 90 1HG LYS 90 -3.900 -13.597 -7.001 757 1HD LYS 90 2HD LYS 90 -5.386 -14.610 -8.742 758 2HD LYS 90 1HD LYS 90 -5.774 -15.884 -7.582 759 1HE LYS 90 2HE LYS 90 -6.671 -14.249 -6.038 760 2HE LYS 90 1HE LYS 90 -6.175 -12.934 -7.099 761 1HZ LYS 90 1HZ LYS 90 -8.506 -13.355 -7.383 762 2HZ LYS 90 2HZ LYS 90 -8.231 -14.996 -7.702 763 3HZ LYS 90 3HZ LYS 90 -7.689 -13.816 -8.796 764 H ILE 91 H ILE 91 0.436 -16.054 -6.465 765 HA ILE 91 HA ILE 91 1.683 -16.479 -9.046 766 HB ILE 91 HB ILE 91 2.643 -17.304 -6.293 767 1HG1 ILE 91 2HG1 ILE 91 4.354 -15.417 -6.816 768 2HG1 ILE 91 1HG1 ILE 91 3.151 -14.858 -7.969 769 1HG2 ILE 91 1HG2 ILE 91 4.100 -17.239 -8.931 770 2HG2 ILE 91 2HG2 ILE 91 3.593 -18.684 -8.057 771 3HG2 ILE 91 3HG2 ILE 91 4.820 -17.620 -7.368 772 1HD1 ILE 91 1HD1 ILE 91 2.740 -15.190 -5.008 773 2HD1 ILE 91 2HD1 ILE 91 1.530 -14.627 -6.159 774 3HD1 ILE 91 3HD1 ILE 91 2.978 -13.665 -5.862 775 H ARG 92 H ARG 92 0.890 -18.100 -10.205 776 HA ARG 92 HA ARG 92 0.109 -20.578 -8.847 777 1HB ARG 92 2HB ARG 92 -1.012 -21.134 -11.020 778 2HB ARG 92 1HB ARG 92 -1.669 -19.721 -10.204 779 1HG ARG 92 2HG ARG 92 -0.477 -18.256 -11.722 780 2HG ARG 92 1HG ARG 92 0.280 -19.648 -12.499 781 1HD ARG 92 2HD ARG 92 -1.829 -20.428 -13.310 782 2HD ARG 92 1HD ARG 92 -2.697 -19.211 -12.374 783 HE ARG 92 HE ARG 92 -1.161 -17.673 -13.924 784 1HH1 ARG 92 1HH1 ARG 92 -3.073 -20.502 -14.743 785 2HH1 ARG 92 2HH1 ARG 92 -3.496 -19.906 -16.322 786 1HH2 ARG 92 1HH2 ARG 92 -1.712 -16.908 -16.016 787 2HH2 ARG 92 2HH2 ARG 92 -2.715 -17.891 -17.046 788 H MET 93 H MET 93 0.767 -22.611 -9.733 789 HA MET 93 HA MET 93 3.346 -22.440 -11.141 790 1HB MET 93 2HB MET 93 3.982 -24.499 -10.058 791 2HB MET 93 1HB MET 93 3.413 -23.383 -8.827 792 1HG MET 93 2HG MET 93 1.267 -24.530 -8.761 793 2HG MET 93 1HG MET 93 1.812 -25.634 -10.021 794 1HE MET 93 1HE MET 93 1.279 -27.785 -8.637 795 2HE MET 93 2HE MET 93 0.594 -26.753 -7.381 796 3HE MET 93 3HE MET 93 1.750 -28.015 -6.953 797 HA PRO 94 HA PRO 94 1.482 -24.723 -14.498 798 1HB PRO 94 2HB PRO 94 4.184 -25.766 -15.039 799 2HB PRO 94 1HB PRO 94 3.149 -24.759 -16.056 800 1HG PRO 94 2HG PRO 94 5.363 -23.785 -14.880 801 2HG PRO 94 1HG PRO 94 3.911 -22.794 -15.120 802 1HD PRO 94 2HD PRO 94 4.889 -24.156 -12.637 803 2HD PRO 94 1HD PRO 94 4.165 -22.545 -12.831 804 H THR 95 H THR 95 0.316 -26.429 -13.814 805 HA THR 95 HA THR 95 1.375 -28.477 -12.144 806 HB THR 95 HB THR 95 -0.908 -29.564 -12.692 807 HG1 THR 95 HG1 THR 95 -2.416 -28.080 -13.578 808 1HG2 THR 95 1HG2 THR 95 -0.432 -28.382 -10.605 809 2HG2 THR 95 2HG2 THR 95 -2.064 -28.021 -11.166 810 3HG2 THR 95 3HG2 THR 95 -0.774 -26.840 -11.388 811 H LEU 96 H LEU 96 2.814 -29.843 -12.923 812 HA LEU 96 HA LEU 96 2.428 -30.973 -15.607 813 1HB LEU 96 2HB LEU 96 4.860 -31.030 -13.815 814 2HB LEU 96 1HB LEU 96 4.778 -31.670 -15.445 815 HG LEU 96 HG LEU 96 4.479 -28.756 -14.708 816 1HD1 LEU 96 1HD1 LEU 96 6.779 -30.238 -15.975 817 2HD1 LEU 96 2HD1 LEU 96 6.751 -29.552 -14.350 818 3HD1 LEU 96 3HD1 LEU 96 6.672 -28.490 -15.755 819 1HD2 LEU 96 1HD2 LEU 96 4.636 -28.375 -17.120 820 2HD2 LEU 96 2HD2 LEU 96 3.223 -29.346 -16.711 821 3HD2 LEU 96 3HD2 LEU 96 4.654 -30.116 -17.395 Start of MODEL 20 1 1H MET 1 1H MET 1 -2.806 14.330 -13.968 2 2H MET 1 2H MET 1 -1.237 14.923 -13.716 3 3H MET 1 3H MET 1 -2.435 15.176 -12.547 4 HA MET 1 HA MET 1 -2.574 12.811 -12.127 5 1HB MET 1 2HB MET 1 -0.272 12.665 -14.088 6 2HB MET 1 1HB MET 1 -0.800 11.340 -13.065 7 1HG MET 1 2HG MET 1 -1.724 10.909 -15.168 8 2HG MET 1 1HG MET 1 -3.053 11.546 -14.203 9 1HE MET 1 1HE MET 1 -0.071 13.523 -15.861 10 2HE MET 1 2HE MET 1 -0.786 13.988 -17.404 11 3HE MET 1 3HE MET 1 -0.461 12.288 -17.060 12 HA PRO 2 HA PRO 2 0.334 14.457 -9.129 13 1HB PRO 2 2HB PRO 2 -0.775 12.411 -7.351 14 2HB PRO 2 1HB PRO 2 -0.839 14.170 -7.209 15 1HG PRO 2 2HG PRO 2 -3.023 12.687 -7.779 16 2HG PRO 2 1HG PRO 2 -2.795 14.332 -8.406 17 1HD PRO 2 2HD PRO 2 -2.359 11.701 -9.779 18 2HD PRO 2 1HD PRO 2 -3.108 13.189 -10.403 19 H ALA 3 H ALA 3 2.373 13.830 -9.472 20 HA ALA 3 HA ALA 3 3.096 11.038 -9.610 21 1HB ALA 3 1HB ALA 3 4.863 13.487 -9.650 22 2HB ALA 3 2HB ALA 3 4.186 12.694 -11.071 23 3HB ALA 3 3HB ALA 3 5.350 11.841 -10.058 24 H ILE 4 H ILE 4 2.904 10.054 -7.693 25 HA ILE 4 HA ILE 4 3.365 9.385 -5.584 26 HB ILE 4 HB ILE 4 5.639 11.348 -5.862 27 1HG1 ILE 4 2HG1 ILE 4 6.983 9.214 -5.636 28 2HG1 ILE 4 1HG1 ILE 4 5.468 8.328 -5.754 29 1HG2 ILE 4 1HG2 ILE 4 6.522 10.510 -3.732 30 2HG2 ILE 4 2HG2 ILE 4 5.033 9.599 -3.482 31 3HG2 ILE 4 3HG2 ILE 4 4.994 11.363 -3.522 32 1HD1 ILE 4 1HD1 ILE 4 5.111 9.257 -7.986 33 2HD1 ILE 4 2HD1 ILE 4 6.636 8.376 -7.881 34 3HD1 ILE 4 3HD1 ILE 4 6.632 10.141 -7.860 35 H GLU 5 H GLU 5 1.830 9.811 -4.202 36 HA GLU 5 HA GLU 5 1.666 12.438 -2.950 37 1HB GLU 5 2HB GLU 5 -0.716 12.627 -3.319 38 2HB GLU 5 1HB GLU 5 0.076 12.441 -4.880 39 1HG GLU 5 2HG GLU 5 -0.557 10.130 -4.988 40 2HG GLU 5 1HG GLU 5 -1.208 10.190 -3.353 41 H VAL 6 H VAL 6 0.045 12.337 -1.093 42 HA VAL 6 HA VAL 6 0.450 9.904 0.399 43 HB VAL 6 HB VAL 6 -0.890 11.093 2.185 44 1HG1 VAL 6 1HG1 VAL 6 1.544 11.105 2.174 45 2HG1 VAL 6 2HG1 VAL 6 0.926 12.662 2.724 46 3HG1 VAL 6 3HG1 VAL 6 1.548 12.490 1.082 47 1HG2 VAL 6 1HG2 VAL 6 -2.168 12.599 0.742 48 2HG2 VAL 6 2HG2 VAL 6 -0.679 13.406 0.255 49 3HG2 VAL 6 3HG2 VAL 6 -1.229 13.507 1.927 50 HN2 GLY 7 H GLY 7 -0.782 8.213 0.165 51 1HA GLY 7 2HA GLY 7 -2.955 7.188 0.361 52 2HA GLY 7 1HA GLY 7 -3.649 8.611 -0.401 53 H ARG 8 H ARG 8 -0.802 7.791 -1.948 54 HA ARG 8 HA ARG 8 -2.266 6.720 -4.205 55 1HB ARG 8 2HB ARG 8 -0.228 8.379 -4.210 56 2HB ARG 8 1HB ARG 8 0.726 6.907 -4.103 57 1HG ARG 8 2HG ARG 8 0.569 7.515 -6.401 58 2HG ARG 8 1HG ARG 8 -0.436 6.086 -6.155 59 1HD ARG 8 2HD ARG 8 -2.417 7.552 -5.977 60 2HD ARG 8 1HD ARG 8 -1.391 8.945 -6.317 61 HE ARG 8 HE ARG 8 -1.201 6.944 -8.350 62 1HH1 ARG 8 1HH1 ARG 8 -3.040 9.719 -7.231 63 2HH1 ARG 8 2HH1 ARG 8 -3.846 9.942 -8.764 64 1HH2 ARG 8 1HH2 ARG 8 -2.213 7.299 -10.369 65 2HH2 ARG 8 2HH2 ARG 8 -3.378 8.579 -10.531 66 H ILE 9 H ILE 9 -2.873 4.648 -3.933 67 HA ILE 9 HA ILE 9 -1.335 2.731 -2.495 68 HB ILE 9 HB ILE 9 -3.625 2.251 -4.407 69 1HG1 ILE 9 2HG1 ILE 9 -3.617 2.603 -1.402 70 2HG1 ILE 9 1HG1 ILE 9 -4.255 3.752 -2.572 71 1HG2 ILE 9 1HG2 ILE 9 -2.446 0.487 -2.265 72 2HG2 ILE 9 2HG2 ILE 9 -2.329 0.234 -4.007 73 3HG2 ILE 9 3HG2 ILE 9 -3.896 0.128 -3.204 74 1HD1 ILE 9 1HD1 ILE 9 -5.954 2.141 -3.240 75 2HD1 ILE 9 2HD1 ILE 9 -6.033 2.486 -1.510 76 3HD1 ILE 9 3HD1 ILE 9 -5.313 0.978 -2.079 77 H CYS 10 H CYS 10 0.414 1.724 -3.177 78 HA CYS 10 HA CYS 10 0.824 1.469 -6.082 79 1HB CYS 10 2HB CYS 10 2.946 1.713 -3.944 80 2HB CYS 10 1HB CYS 10 3.203 1.687 -5.684 81 HG CYS 10 HG CYS 10 1.438 4.147 -4.090 82 H VAL 11 H VAL 11 1.579 -0.439 -6.891 83 HA VAL 11 HA VAL 11 1.160 -2.750 -5.166 84 HB VAL 11 HB VAL 11 0.057 -2.653 -7.385 85 1HG1 VAL 11 1HG1 VAL 11 2.859 -2.862 -8.469 86 2HG1 VAL 11 2HG1 VAL 11 1.754 -1.499 -8.661 87 3HG1 VAL 11 3HG1 VAL 11 1.381 -3.050 -9.415 88 1HG2 VAL 11 1HG2 VAL 11 0.432 -4.811 -6.345 89 2HG2 VAL 11 2HG2 VAL 11 2.042 -4.900 -7.060 90 3HG2 VAL 11 3HG2 VAL 11 0.614 -4.938 -8.094 91 H LYS 12 H LYS 12 2.668 -4.416 -4.943 92 HA LYS 12 HA LYS 12 5.435 -3.548 -4.942 93 1HB LYS 12 2HB LYS 12 4.241 -4.826 -3.059 94 2HB LYS 12 1HB LYS 12 4.360 -6.240 -4.093 95 1HG LYS 12 2HG LYS 12 6.138 -6.284 -2.491 96 2HG LYS 12 1HG LYS 12 6.821 -5.991 -4.090 97 1HD LYS 12 2HD LYS 12 7.826 -4.580 -2.315 98 2HD LYS 12 1HD LYS 12 7.071 -3.644 -3.605 99 1HE LYS 12 2HE LYS 12 6.587 -2.770 -1.334 100 2HE LYS 12 1HE LYS 12 5.145 -3.205 -2.243 101 1HZ LYS 12 1HZ LYS 12 5.058 -3.938 0.071 102 2HZ LYS 12 2HZ LYS 12 6.421 -4.915 -0.165 103 3HZ LYS 12 3HZ LYS 12 4.980 -5.243 -0.996 104 H VAL 13 H VAL 13 4.890 -3.560 -7.464 105 HA VAL 13 HA VAL 13 4.611 -5.929 -8.887 106 HB VAL 13 HB VAL 13 4.161 -3.767 -9.887 107 1HG1 VAL 13 1HG1 VAL 13 5.980 -2.297 -10.640 108 2HG1 VAL 13 2HG1 VAL 13 7.139 -3.313 -9.788 109 3HG1 VAL 13 3HG1 VAL 13 5.909 -2.430 -8.886 110 1HG2 VAL 13 1HG2 VAL 13 6.339 -5.278 -11.325 111 2HG2 VAL 13 2HG2 VAL 13 5.250 -4.107 -12.072 112 3HG2 VAL 13 3HG2 VAL 13 4.608 -5.605 -11.394 113 H LYS 14 H LYS 14 7.576 -4.276 -7.876 114 HA LYS 14 HA LYS 14 9.091 -6.507 -9.023 115 1HB LYS 14 2HB LYS 14 10.094 -3.795 -8.137 116 2HB LYS 14 1HB LYS 14 11.070 -5.065 -8.864 117 1HG LYS 14 2HG LYS 14 8.784 -3.624 -10.198 118 2HG LYS 14 1HG LYS 14 10.502 -3.333 -10.478 119 1HD LYS 14 2HD LYS 14 10.791 -5.532 -11.390 120 2HD LYS 14 1HD LYS 14 9.142 -5.986 -10.947 121 1HE LYS 14 2HE LYS 14 8.263 -4.313 -12.498 122 2HE LYS 14 1HE LYS 14 9.907 -3.838 -12.926 123 1HZ LYS 14 1HZ LYS 14 10.296 -5.985 -13.881 124 2HZ LYS 14 2HZ LYS 14 8.872 -5.358 -14.550 125 3HZ LYS 14 3HZ LYS 14 8.786 -6.560 -13.356 126 HN2 GLY 15 H GLY 15 8.548 -7.913 -7.338 127 1HA GLY 15 2HA GLY 15 10.380 -7.778 -5.110 128 2HA GLY 15 1HA GLY 15 8.686 -7.645 -4.648 129 H ARG 16 H ARG 16 7.337 -9.435 -4.823 130 HA ARG 16 HA ARG 16 8.590 -11.943 -5.703 131 1HB ARG 16 2HB ARG 16 7.012 -11.526 -3.161 132 2HB ARG 16 1HB ARG 16 7.391 -13.107 -3.822 133 1HG ARG 16 2HG ARG 16 9.781 -12.627 -3.582 134 2HG ARG 16 1HG ARG 16 9.384 -11.051 -2.892 135 1HD ARG 16 2HD ARG 16 8.191 -12.151 -1.065 136 2HD ARG 16 1HD ARG 16 8.582 -13.726 -1.755 137 HE ARG 16 HE ARG 16 10.993 -12.976 -1.407 138 1HH1 ARG 16 1HH1 ARG 16 8.337 -12.061 0.682 139 2HH1 ARG 16 2HH1 ARG 16 9.356 -11.778 2.061 140 1HH2 ARG 16 1HH2 ARG 16 12.321 -12.628 0.386 141 2HH2 ARG 16 2HH2 ARG 16 11.626 -12.100 1.893 142 H GLU 17 H GLU 17 5.421 -11.406 -4.225 143 HA GLU 17 HA GLU 17 4.190 -12.682 -6.555 144 1HB GLU 17 2HB GLU 17 2.995 -11.959 -3.876 145 2HB GLU 17 1HB GLU 17 2.245 -12.962 -5.107 146 1HG GLU 17 2HG GLU 17 3.588 -14.761 -4.653 147 2HG GLU 17 1HG GLU 17 4.885 -13.762 -3.990 148 H ALA 18 H ALA 18 4.775 -9.611 -5.425 149 HA ALA 18 HA ALA 18 3.929 -7.535 -5.723 150 1HB ALA 18 1HB ALA 18 4.011 -8.132 -8.105 151 2HB ALA 18 2HB ALA 18 2.647 -7.070 -7.751 152 3HB ALA 18 3HB ALA 18 2.382 -8.797 -7.991 153 HN2 GLY 19 H GLY 19 2.612 -9.546 -4.045 154 1HA GLY 19 2HA GLY 19 -0.211 -8.874 -4.180 155 2HA GLY 19 1HA GLY 19 0.534 -10.039 -3.094 156 H SER 20 H SER 20 2.537 -8.320 -2.037 157 HA SER 20 HA SER 20 0.942 -7.025 -0.049 158 1HB SER 20 2HB SER 20 3.310 -6.342 0.792 159 2HB SER 20 1HB SER 20 2.832 -8.037 0.858 160 HG SER 20 HG SER 20 4.409 -8.480 -0.435 161 H LYS 21 H LYS 21 -0.127 -5.378 -1.062 162 HA LYS 21 HA LYS 21 1.280 -3.325 -2.506 163 1HB LYS 21 2HB LYS 21 -1.564 -3.633 -1.557 164 2HB LYS 21 1HB LYS 21 -0.996 -2.188 -2.381 165 1HG LYS 21 2HG LYS 21 -0.805 -3.244 -4.399 166 2HG LYS 21 1HG LYS 21 -0.526 -4.827 -3.668 167 1HD LYS 21 2HD LYS 21 -3.170 -3.416 -3.444 168 2HD LYS 21 1HD LYS 21 -2.773 -4.447 -4.822 169 1HE LYS 21 2HE LYS 21 -2.473 -6.346 -3.409 170 2HE LYS 21 1HE LYS 21 -2.577 -5.353 -1.957 171 1HZ LYS 21 1HZ LYS 21 -4.868 -5.274 -3.752 172 2HZ LYS 21 2HZ LYS 21 -4.809 -5.282 -2.058 173 3HZ LYS 21 3HZ LYS 21 -4.619 -6.725 -2.918 174 H CYS 22 H CYS 22 1.539 -1.170 -1.831 175 HA CYS 22 HA CYS 22 1.189 -0.697 1.042 176 1HB CYS 22 2HB CYS 22 3.685 0.011 -0.510 177 2HB CYS 22 1HB CYS 22 3.401 0.307 1.199 178 HG CYS 22 HG CYS 22 2.968 -2.703 1.341 179 H VAL 23 H VAL 23 0.866 1.436 1.610 180 HA VAL 23 HA VAL 23 0.111 3.184 -0.632 181 HB VAL 23 HB VAL 23 -0.932 3.261 2.212 182 1HG1 VAL 23 1HG1 VAL 23 -2.602 4.807 1.332 183 2HG1 VAL 23 2HG1 VAL 23 -1.858 4.716 -0.264 184 3HG1 VAL 23 3HG1 VAL 23 -0.971 5.427 1.084 185 1HG2 VAL 23 1HG2 VAL 23 -1.678 1.232 1.101 186 2HG2 VAL 23 2HG2 VAL 23 -2.238 2.171 -0.283 187 3HG2 VAL 23 3HG2 VAL 23 -3.019 2.361 1.287 188 H ILE 24 H ILE 24 1.223 5.030 -0.867 189 HA ILE 24 HA ILE 24 3.294 5.794 0.922 190 HB ILE 24 HB ILE 24 1.963 7.500 -1.193 191 1HG1 ILE 24 2HG1 ILE 24 4.408 5.720 -1.421 192 2HG1 ILE 24 1HG1 ILE 24 2.826 5.364 -2.110 193 1HG2 ILE 24 1HG2 ILE 24 4.110 8.718 -1.189 194 2HG2 ILE 24 2HG2 ILE 24 4.658 7.709 0.150 195 3HG2 ILE 24 3HG2 ILE 24 3.288 8.796 0.369 196 1HD1 ILE 24 1HD1 ILE 24 4.599 7.679 -2.854 197 2HD1 ILE 24 2HD1 ILE 24 3.011 7.338 -3.539 198 3HD1 ILE 24 3HD1 ILE 24 4.343 6.212 -3.797 199 H VAL 25 H VAL 25 2.776 6.380 2.928 200 HA VAL 25 HA VAL 25 0.332 7.945 3.352 201 HB VAL 25 HB VAL 25 1.909 6.269 5.299 202 1HG1 VAL 25 1HG1 VAL 25 -0.677 7.766 5.683 203 2HG1 VAL 25 2HG1 VAL 25 0.873 8.152 6.431 204 3HG1 VAL 25 3HG1 VAL 25 0.041 6.651 6.847 205 1HG2 VAL 25 1HG2 VAL 25 -0.779 5.825 4.010 206 2HG2 VAL 25 2HG2 VAL 25 -0.066 4.805 5.259 207 3HG2 VAL 25 3HG2 VAL 25 0.702 4.929 3.676 208 H ASP 26 H ASP 26 3.794 7.909 3.963 209 HA ASP 26 HA ASP 26 3.611 10.723 4.716 210 1HB ASP 26 2HB ASP 26 3.683 9.061 6.761 211 2HB ASP 26 1HB ASP 26 5.397 8.978 6.370 212 H ILE 27 H ILE 27 5.869 11.680 4.858 213 HA ILE 27 HA ILE 27 7.524 10.497 2.731 214 HB ILE 27 HB ILE 27 6.859 13.428 3.068 215 1HG1 ILE 27 2HG1 ILE 27 4.992 12.159 2.101 216 2HG1 ILE 27 1HG1 ILE 27 5.711 13.232 0.907 217 1HG2 ILE 27 1HG2 ILE 27 9.138 13.121 2.299 218 2HG2 ILE 27 2HG2 ILE 27 8.134 13.765 1.000 219 3HG2 ILE 27 3HG2 ILE 27 8.580 12.060 1.007 220 1HD1 ILE 27 1HD1 ILE 27 6.912 11.338 -0.061 221 2HD1 ILE 27 2HD1 ILE 27 5.164 11.081 -0.061 222 3HD1 ILE 27 3HD1 ILE 27 6.177 10.269 1.136 223 H ILE 28 H ILE 28 9.385 9.927 3.696 224 HA ILE 28 HA ILE 28 10.405 11.374 5.977 225 HB ILE 28 HB ILE 28 11.751 9.177 4.392 226 1HG1 ILE 28 2HG1 ILE 28 9.604 8.406 5.298 227 2HG1 ILE 28 1HG1 ILE 28 10.949 7.656 6.151 228 1HG2 ILE 28 1HG2 ILE 28 13.108 8.879 6.400 229 2HG2 ILE 28 2HG2 ILE 28 12.272 10.227 7.170 230 3HG2 ILE 28 3HG2 ILE 28 13.277 10.509 5.749 231 1HD1 ILE 28 1HD1 ILE 28 9.286 9.965 7.139 232 2HD1 ILE 28 2HD1 ILE 28 10.649 9.245 7.992 233 3HD1 ILE 28 3HD1 ILE 28 9.195 8.292 7.693 234 H ASP 29 H ASP 29 11.778 10.534 2.803 235 HA ASP 29 HA ASP 29 12.592 13.320 2.495 236 1HB ASP 29 2HB ASP 29 14.766 12.664 1.534 237 2HB ASP 29 1HB ASP 29 14.628 12.192 3.220 238 H ASP 30 H ASP 30 13.817 12.957 -0.046 239 HA ASP 30 HA ASP 30 11.313 12.885 -1.494 240 1HB ASP 30 2HB ASP 30 13.114 14.673 -1.743 241 2HB ASP 30 1HB ASP 30 14.028 13.482 -2.664 242 H ASN 31 H ASN 31 13.740 10.644 -0.861 243 HA ASN 31 HA ASN 31 13.027 9.094 -3.272 244 1HB ASN 31 2HB ASN 31 15.447 9.778 -3.049 245 2HB ASN 31 1HB ASN 31 15.533 8.763 -1.614 246 1HD2 ASN 31 1HD2 ASN 31 15.261 8.836 -5.074 247 2HD2 ASN 31 2HD2 ASN 31 15.580 7.155 -5.331 248 H PHE 32 H PHE 32 13.940 8.799 0.152 249 HA PHE 32 HA PHE 32 12.643 6.192 0.328 250 1HB PHE 32 2HB PHE 32 14.160 7.871 2.332 251 2HB PHE 32 1HB PHE 32 13.327 6.388 2.776 252 HD1 PHE 32 HD2 PHE 32 15.917 7.682 0.429 253 HD2 PHE 32 HD1 PHE 32 14.432 4.371 2.653 254 HE1 PHE 32 HE2 PHE 32 17.908 6.374 -0.194 255 HE2 PHE 32 HE1 PHE 32 16.417 3.058 2.034 256 HZ PHE 32 HZ PHE 32 18.159 4.059 0.610 257 H VAL 33 H VAL 33 10.508 6.114 0.588 258 HA VAL 33 HA VAL 33 9.201 8.339 2.006 259 HB VAL 33 HB VAL 33 7.125 7.690 0.848 260 1HG1 VAL 33 1HG1 VAL 33 9.464 8.228 -0.978 261 2HG1 VAL 33 2HG1 VAL 33 8.483 9.428 -0.135 262 3HG1 VAL 33 3HG1 VAL 33 7.768 8.442 -1.412 263 1HG2 VAL 33 1HG2 VAL 33 8.881 5.701 -0.591 264 2HG2 VAL 33 2HG2 VAL 33 7.231 6.119 -1.049 265 3HG2 VAL 33 3HG2 VAL 33 7.542 5.333 0.498 266 H LEU 34 H LEU 34 7.207 7.685 3.233 267 HA LEU 34 HA LEU 34 7.778 5.157 4.612 268 1HB LEU 34 2HB LEU 34 7.777 7.195 6.007 269 2HB LEU 34 1HB LEU 34 6.121 7.513 5.529 270 HG LEU 34 HG LEU 34 5.410 5.419 6.639 271 1HD1 LEU 34 1HD1 LEU 34 8.286 5.279 7.527 272 2HD1 LEU 34 2HD1 LEU 34 7.490 4.168 6.412 273 3HD1 LEU 34 3HD1 LEU 34 6.980 4.243 8.099 274 1HD2 LEU 34 1HD2 LEU 34 6.987 7.290 8.398 275 2HD2 LEU 34 2HD2 LEU 34 5.717 6.194 8.938 276 3HD2 LEU 34 3HD2 LEU 34 5.328 7.533 7.858 277 H VAL 35 H VAL 35 6.604 3.540 3.965 278 HA VAL 35 HA VAL 35 3.791 4.023 3.258 279 HB VAL 35 HB VAL 35 3.911 2.046 1.777 280 1HG1 VAL 35 1HG1 VAL 35 4.194 4.246 0.802 281 2HG1 VAL 35 2HG1 VAL 35 5.217 3.075 -0.029 282 3HG1 VAL 35 3HG1 VAL 35 5.924 4.196 1.134 283 1HG2 VAL 35 1HG2 VAL 35 6.088 1.124 1.135 284 2HG2 VAL 35 2HG2 VAL 35 5.750 0.862 2.846 285 3HG2 VAL 35 3HG2 VAL 35 6.872 2.131 2.352 286 H THR 36 H THR 36 2.294 2.503 3.995 287 HA THR 36 HA THR 36 3.298 0.434 5.786 288 HB THR 36 HB THR 36 2.891 2.368 7.236 289 HG1 THR 36 HG1 THR 36 0.803 1.090 8.216 290 1HG2 THR 36 1HG2 THR 36 0.639 3.260 7.558 291 2HG2 THR 36 2HG2 THR 36 0.036 2.227 6.262 292 3HG2 THR 36 3HG2 THR 36 1.187 3.512 5.900 293 HN2 GLY 37 H GLY 37 2.123 -1.376 5.800 294 1HA GLY 37 2HA GLY 37 -0.379 -1.389 4.251 295 2HA GLY 37 1HA GLY 37 0.579 -2.810 4.664 296 HA PRO 38 HA PRO 38 -2.548 -0.741 8.127 297 1HB PRO 38 2HB PRO 38 -4.514 -2.298 6.484 298 2HB PRO 38 1HB PRO 38 -4.786 -0.884 7.509 299 1HG PRO 38 2HG PRO 38 -4.576 -0.641 4.860 300 2HG PRO 38 1HG PRO 38 -3.903 0.582 5.951 301 1HD PRO 38 2HD PRO 38 -2.516 -1.411 4.272 302 2HD PRO 38 1HD PRO 38 -1.917 0.125 4.929 303 H LYS 39 H LYS 39 -2.352 -1.909 9.894 304 HA LYS 39 HA LYS 39 -1.265 -4.476 9.881 305 1HB LYS 39 2HB LYS 39 -1.615 -4.402 12.343 306 2HB LYS 39 1HB LYS 39 -0.832 -2.966 11.696 307 1HG LYS 39 2HG LYS 39 -3.003 -1.797 11.753 308 2HG LYS 39 1HG LYS 39 -3.723 -3.229 12.489 309 1HD LYS 39 2HD LYS 39 -1.433 -1.654 13.659 310 2HD LYS 39 1HD LYS 39 -3.121 -1.481 14.137 311 1HE LYS 39 2HE LYS 39 -3.152 -3.846 14.811 312 2HE LYS 39 1HE LYS 39 -1.453 -3.986 14.365 313 1HZ LYS 39 1HZ LYS 39 -2.558 -2.213 16.477 314 2HZ LYS 39 2HZ LYS 39 -0.925 -2.315 16.041 315 3HZ LYS 39 3HZ LYS 39 -1.701 -3.654 16.734 316 H ASP 40 H ASP 40 -4.590 -3.456 9.992 317 HA ASP 40 HA ASP 40 -5.505 -6.114 10.769 318 1HB ASP 40 2HB ASP 40 -6.702 -4.168 11.649 319 2HB ASP 40 1HB ASP 40 -7.052 -3.630 10.010 320 H ILE 41 H ILE 41 -5.528 -3.980 7.964 321 HA ILE 41 HA ILE 41 -7.207 -5.647 6.384 322 HB ILE 41 HB ILE 41 -5.391 -3.386 5.538 323 1HG1 ILE 41 2HG1 ILE 41 -8.364 -3.431 6.123 324 2HG1 ILE 41 1HG1 ILE 41 -7.131 -2.771 7.193 325 1HG2 ILE 41 1HG2 ILE 41 -6.761 -3.285 3.517 326 2HG2 ILE 41 2HG2 ILE 41 -7.671 -4.696 4.060 327 3HG2 ILE 41 3HG2 ILE 41 -5.959 -4.851 3.666 328 1HD1 ILE 41 1HD1 ILE 41 -8.248 -1.008 5.978 329 2HD1 ILE 41 2HD1 ILE 41 -7.819 -1.766 4.445 330 3HD1 ILE 41 3HD1 ILE 41 -6.557 -1.114 5.489 331 H THR 42 H THR 42 -3.701 -4.966 6.234 332 HA THR 42 HA THR 42 -3.393 -7.489 4.742 333 HB THR 42 HB THR 42 -1.311 -6.259 3.753 334 HG1 THR 42 HG1 THR 42 -2.866 -3.959 3.819 335 1HG2 THR 42 1HG2 THR 42 -4.122 -5.615 2.852 336 2HG2 THR 42 2HG2 THR 42 -3.201 -7.058 2.426 337 3HG2 THR 42 3HG2 THR 42 -2.670 -5.474 1.862 338 HN2 GLY 43 H GLY 43 -1.925 -5.200 6.990 339 1HA GLY 43 2HA GLY 43 -0.604 -5.656 8.827 340 2HA GLY 43 1HA GLY 43 -0.705 -7.363 8.428 341 H VAL 44 H VAL 44 0.504 -4.712 6.413 342 HA VAL 44 HA VAL 44 2.986 -6.199 6.047 343 HB VAL 44 HB VAL 44 2.167 -3.604 4.726 344 1HG1 VAL 44 1HG1 VAL 44 4.222 -5.672 3.944 345 2HG1 VAL 44 2HG1 VAL 44 4.559 -4.072 4.605 346 3HG1 VAL 44 3HG1 VAL 44 3.808 -4.229 3.017 347 1HG2 VAL 44 1HG2 VAL 44 1.795 -6.424 3.729 348 2HG2 VAL 44 2HG2 VAL 44 1.460 -4.954 2.816 349 3HG2 VAL 44 3HG2 VAL 44 0.511 -5.332 4.254 350 H LYS 45 H LYS 45 1.744 -3.487 7.728 351 HA LYS 45 HA LYS 45 2.605 -2.074 9.280 352 1HB LYS 45 2HB LYS 45 5.138 -3.707 9.010 353 2HB LYS 45 1HB LYS 45 4.811 -2.528 10.273 354 1HG LYS 45 2HG LYS 45 3.019 -3.880 11.140 355 2HG LYS 45 1HG LYS 45 3.190 -5.022 9.804 356 1HD LYS 45 2HD LYS 45 5.464 -5.551 10.566 357 2HD LYS 45 1HD LYS 45 5.267 -4.428 11.913 358 1HE LYS 45 2HE LYS 45 4.901 -6.759 12.593 359 2HE LYS 45 1HE LYS 45 3.457 -5.773 12.807 360 1HZ LYS 45 1HZ LYS 45 2.438 -6.751 10.952 361 2HZ LYS 45 2HZ LYS 45 3.154 -8.050 11.779 362 3HZ LYS 45 3HZ LYS 45 3.888 -7.425 10.384 363 H ARG 46 H ARG 46 4.778 -0.622 9.594 364 HA ARG 46 HA ARG 46 4.997 0.756 7.020 365 1HB ARG 46 2HB ARG 46 5.739 2.694 8.340 366 2HB ARG 46 1HB ARG 46 4.180 2.098 8.889 367 1HG ARG 46 2HG ARG 46 5.142 1.097 10.812 368 2HG ARG 46 1HG ARG 46 6.778 1.354 10.206 369 1HD ARG 46 2HD ARG 46 6.246 2.963 11.939 370 2HD ARG 46 1HD ARG 46 6.457 3.774 10.389 371 HE ARG 46 HE ARG 46 4.041 3.993 10.275 372 1HH1 ARG 46 1HH1 ARG 46 5.352 3.039 13.370 373 2HH1 ARG 46 2HH1 ARG 46 4.025 3.683 14.288 374 1HH2 ARG 46 1HH2 ARG 46 2.295 4.875 11.462 375 2HH2 ARG 46 2HH2 ARG 46 2.284 4.738 13.201 376 H ARG 47 H ARG 47 6.941 1.270 6.083 377 HA ARG 47 HA ARG 47 9.451 1.110 7.363 378 1HB ARG 47 2HB ARG 47 10.408 -0.841 6.279 379 2HB ARG 47 1HB ARG 47 9.013 -1.320 7.232 380 1HG ARG 47 2HG ARG 47 7.678 -1.254 5.093 381 2HG ARG 47 1HG ARG 47 9.217 -1.079 4.242 382 1HD ARG 47 2HD ARG 47 8.774 -3.382 4.203 383 2HD ARG 47 1HD ARG 47 9.949 -3.178 5.500 384 HE ARG 47 HE ARG 47 7.094 -3.261 6.159 385 1HH1 ARG 47 1HH1 ARG 47 10.263 -4.764 6.329 386 2HH1 ARG 47 2HH1 ARG 47 9.768 -5.940 7.501 387 1HH2 ARG 47 1HH2 ARG 47 6.447 -4.842 7.667 388 2HH2 ARG 47 2HH2 ARG 47 7.612 -6.000 8.257 389 H ARG 48 H ARG 48 11.264 1.399 5.746 390 HA ARG 48 HA ARG 48 10.397 3.177 3.634 391 1HB ARG 48 2HB ARG 48 13.170 2.258 4.429 392 2HB ARG 48 1HB ARG 48 12.827 3.482 3.220 393 1HG ARG 48 2HG ARG 48 11.766 4.863 4.986 394 2HG ARG 48 1HG ARG 48 12.267 3.656 6.176 395 1HD ARG 48 2HD ARG 48 14.619 3.993 5.448 396 2HD ARG 48 1HD ARG 48 14.070 5.277 4.377 397 HE ARG 48 HE ARG 48 13.604 5.466 7.274 398 1HH1 ARG 48 1HH1 ARG 48 15.006 6.730 4.318 399 2HH1 ARG 48 2HH1 ARG 48 15.578 8.193 5.060 400 1HH2 ARG 48 1HH2 ARG 48 14.395 7.391 8.265 401 2HH2 ARG 48 2HH2 ARG 48 15.234 8.558 7.285 402 H VAL 49 H VAL 49 9.900 2.466 1.636 403 HA VAL 49 HA VAL 49 11.229 0.003 0.693 404 HB VAL 49 HB VAL 49 8.380 0.825 0.081 405 1HG1 VAL 49 1HG1 VAL 49 8.157 -1.389 -0.932 406 2HG1 VAL 49 2HG1 VAL 49 9.855 -1.720 -0.600 407 3HG1 VAL 49 3HG1 VAL 49 9.414 -0.447 -1.736 408 1HG2 VAL 49 1HG2 VAL 49 7.708 -1.074 1.464 409 2HG2 VAL 49 2HG2 VAL 49 8.603 0.124 2.400 410 3HG2 VAL 49 3HG2 VAL 49 9.395 -1.367 1.885 411 H ASN 50 H ASN 50 10.917 3.198 0.308 412 HA ASN 50 HA ASN 50 11.287 4.753 -1.272 413 1HB ASN 50 2HB ASN 50 12.617 2.485 -2.764 414 2HB ASN 50 1HB ASN 50 12.841 4.203 -3.037 415 1HD2 ASN 50 1HD2 ASN 50 13.650 1.504 -1.061 416 2HD2 ASN 50 2HD2 ASN 50 14.860 2.300 -0.116 417 H ILE 51 H ILE 51 11.064 5.170 -3.758 418 HA ILE 51 HA ILE 51 8.519 4.019 -4.593 419 HB ILE 51 HB ILE 51 8.594 5.808 -6.336 420 1HG1 ILE 51 2HG1 ILE 51 10.997 6.752 -4.765 421 2HG1 ILE 51 1HG1 ILE 51 11.036 6.110 -6.402 422 1HG2 ILE 51 1HG2 ILE 51 7.365 6.078 -4.241 423 2HG2 ILE 51 2HG2 ILE 51 8.025 7.614 -4.803 424 3HG2 ILE 51 3HG2 ILE 51 8.811 6.750 -3.484 425 1HD1 ILE 51 1HD1 ILE 51 9.657 8.634 -5.525 426 2HD1 ILE 51 2HD1 ILE 51 9.690 7.995 -7.171 427 3HD1 ILE 51 3HD1 ILE 51 11.186 8.528 -6.401 428 H LEU 52 H LEU 52 11.344 2.822 -4.761 429 HA LEU 52 HA LEU 52 11.637 2.520 -7.651 430 1HB LEU 52 2HB LEU 52 13.410 1.795 -5.331 431 2HB LEU 52 1HB LEU 52 13.732 1.228 -6.957 432 HG LEU 52 HG LEU 52 13.814 3.666 -7.668 433 1HD1 LEU 52 1HD1 LEU 52 13.924 4.101 -4.687 434 2HD1 LEU 52 2HD1 LEU 52 12.649 4.647 -5.776 435 3HD1 LEU 52 3HD1 LEU 52 14.274 5.313 -5.920 436 1HD2 LEU 52 1HD2 LEU 52 15.844 2.704 -5.653 437 2HD2 LEU 52 2HD2 LEU 52 16.096 3.970 -6.855 438 3HD2 LEU 52 3HD2 LEU 52 15.815 2.308 -7.371 439 H HIS 53 H HIS 53 10.133 0.944 -5.109 440 HA HIS 53 HA HIS 53 10.080 -1.569 -6.657 441 1HB HIS 53 2HB HIS 53 10.070 -1.164 -3.669 442 2HB HIS 53 1HB HIS 53 9.465 -2.642 -4.404 443 HD1 HIS 53 HD1 HIS 53 11.210 -4.196 -5.566 444 HD2 HIS 53 HD2 HIS 53 12.835 -0.921 -3.575 445 HE1 HIS 53 HE1 HIS 53 13.666 -4.687 -5.338 446 HE2 HIS 53 HE2 HIS 53 14.557 -2.828 -3.892 447 H LEU 54 H LEU 54 8.366 1.049 -6.194 448 HA LEU 54 HA LEU 54 5.815 -0.360 -5.807 449 1HB LEU 54 2HB LEU 54 6.597 2.420 -4.931 450 2HB LEU 54 1HB LEU 54 4.953 1.813 -4.902 451 HG LEU 54 HG LEU 54 7.261 0.679 -3.315 452 1HD1 LEU 54 1HD1 LEU 54 6.081 1.608 -1.384 453 2HD1 LEU 54 2HD1 LEU 54 4.890 2.336 -2.463 454 3HD1 LEU 54 3HD1 LEU 54 6.571 2.871 -2.512 455 1HD2 LEU 54 1HD2 LEU 54 5.535 -0.651 -2.197 456 2HD2 LEU 54 2HD2 LEU 54 5.625 -1.026 -3.918 457 3HD2 LEU 54 3HD2 LEU 54 4.323 -0.008 -3.305 458 H GLU 55 H GLU 55 4.348 -0.149 -7.347 459 HA GLU 55 HA GLU 55 4.656 2.026 -9.315 460 1HB GLU 55 2HB GLU 55 4.964 -0.617 -9.866 461 2HB GLU 55 1HB GLU 55 3.235 -0.448 -10.116 462 1HG GLU 55 2HG GLU 55 5.293 1.277 -11.464 463 2HG GLU 55 1HG GLU 55 4.649 -0.208 -12.157 464 HA PRO 56 HA PRO 56 0.703 3.048 -7.481 465 1HB PRO 56 2HB PRO 56 0.158 5.161 -9.136 466 2HB PRO 56 1HB PRO 56 1.215 5.261 -7.726 467 1HG PRO 56 2HG PRO 56 1.925 4.969 -10.612 468 2HG PRO 56 1HG PRO 56 2.704 5.950 -9.357 469 1HD PRO 56 2HD PRO 56 3.715 3.586 -10.190 470 2HD PRO 56 1HD PRO 56 3.892 4.164 -8.522 471 H THR 57 H THR 57 -1.287 2.298 -7.879 472 HA THR 57 HA THR 57 -1.828 1.172 -10.501 473 HB THR 57 HB THR 57 -3.813 0.169 -9.456 474 HG1 THR 57 HG1 THR 57 -2.936 1.445 -7.059 475 1HG2 THR 57 1HG2 THR 57 -1.298 -0.169 -7.817 476 2HG2 THR 57 2HG2 THR 57 -1.696 -1.029 -9.305 477 3HG2 THR 57 3HG2 THR 57 -2.655 -1.292 -7.849 478 H ASP 58 H ASP 58 -4.494 1.334 -10.798 479 HA ASP 58 HA ASP 58 -4.920 4.150 -11.363 480 1HB ASP 58 2HB ASP 58 -6.833 3.440 -12.667 481 2HB ASP 58 1HB ASP 58 -5.439 2.454 -13.089 482 H LYS 59 H LYS 59 -5.448 2.150 -8.796 483 HA LYS 59 HA LYS 59 -7.811 3.649 -7.899 484 1HB LYS 59 2HB LYS 59 -6.575 1.078 -6.948 485 2HB LYS 59 1HB LYS 59 -7.665 1.984 -5.922 486 1HG LYS 59 2HG LYS 59 -8.956 0.310 -6.953 487 2HG LYS 59 1HG LYS 59 -9.369 1.820 -7.761 488 1HD LYS 59 2HD LYS 59 -7.892 1.235 -9.617 489 2HD LYS 59 1HD LYS 59 -7.448 -0.263 -8.797 490 1HE LYS 59 2HE LYS 59 -9.719 -1.069 -8.940 491 2HE LYS 59 1HE LYS 59 -10.258 0.465 -9.618 492 1HZ LYS 59 1HZ LYS 59 -8.803 0.045 -11.538 493 2HZ LYS 59 2HZ LYS 59 -10.005 -1.145 -11.365 494 3HZ LYS 59 3HZ LYS 59 -8.410 -1.477 -10.900 495 H LYS 60 H LYS 60 -7.710 4.971 -6.141 496 HA LYS 60 HA LYS 60 -5.279 5.112 -4.579 497 1HB LYS 60 2HB LYS 60 -4.882 7.415 -5.016 498 2HB LYS 60 1HB LYS 60 -4.968 6.609 -6.565 499 1HG LYS 60 2HG LYS 60 -6.271 8.369 -7.087 500 2HG LYS 60 1HG LYS 60 -7.525 7.406 -6.299 501 1HD LYS 60 2HD LYS 60 -7.601 9.663 -5.434 502 2HD LYS 60 1HD LYS 60 -7.025 8.580 -4.166 503 1HE LYS 60 2HE LYS 60 -4.683 9.214 -4.881 504 2HE LYS 60 1HE LYS 60 -5.421 10.479 -5.859 505 1HZ LYS 60 1HZ LYS 60 -4.699 11.339 -3.737 506 2HZ LYS 60 2HZ LYS 60 -5.645 10.197 -2.909 507 3HZ LYS 60 3HZ LYS 60 -6.396 11.406 -3.830 508 H ILE 61 H ILE 61 -5.556 6.395 -2.625 509 HA ILE 61 HA ILE 61 -8.397 6.787 -1.935 510 HB ILE 61 HB ILE 61 -7.770 6.386 0.428 511 1HG1 ILE 61 2HG1 ILE 61 -5.149 5.427 -0.742 512 2HG1 ILE 61 1HG1 ILE 61 -5.355 6.892 0.208 513 1HG2 ILE 61 1HG2 ILE 61 -7.214 4.135 -1.502 514 2HG2 ILE 61 2HG2 ILE 61 -8.792 4.629 -0.892 515 3HG2 ILE 61 3HG2 ILE 61 -7.600 3.936 0.206 516 1HD1 ILE 61 1HD1 ILE 61 -5.849 4.092 1.183 517 2HD1 ILE 61 2HD1 ILE 61 -6.001 5.571 2.135 518 3HD1 ILE 61 3HD1 ILE 61 -4.424 5.073 1.525 519 H ASP 62 H ASP 62 -8.561 8.305 0.048 520 HA ASP 62 HA ASP 62 -6.927 10.677 -0.544 521 1HB ASP 62 2HB ASP 62 -9.203 10.954 -1.351 522 2HB ASP 62 1HB ASP 62 -9.852 10.496 0.219 523 H ILE 63 H ILE 63 -5.441 10.490 1.110 524 HA ILE 63 HA ILE 63 -6.542 10.759 3.826 525 HB ILE 63 HB ILE 63 -4.685 9.414 4.732 526 1HG1 ILE 63 2HG1 ILE 63 -4.163 8.634 1.859 527 2HG1 ILE 63 1HG1 ILE 63 -3.137 9.698 2.812 528 1HG2 ILE 63 1HG2 ILE 63 -6.836 8.370 4.450 529 2HG2 ILE 63 2HG2 ILE 63 -5.564 7.205 4.081 530 3HG2 ILE 63 3HG2 ILE 63 -6.461 7.976 2.773 531 1HD1 ILE 63 1HD1 ILE 63 -2.718 7.850 4.378 532 2HD1 ILE 63 2HD1 ILE 63 -2.203 7.479 2.734 533 3HD1 ILE 63 3HD1 ILE 63 -3.701 6.793 3.365 534 H GLN 64 H GLN 64 -4.792 11.498 5.375 535 HA GLN 64 HA GLN 64 -3.329 13.706 4.125 536 1HB GLN 64 2HB GLN 64 -4.881 14.155 6.034 537 2HB GLN 64 1HB GLN 64 -3.864 13.154 7.056 538 1HG GLN 64 2HG GLN 64 -1.985 14.712 6.623 539 2HG GLN 64 1HG GLN 64 -3.100 15.749 5.736 540 1HE2 GLN 64 1HE2 GLN 64 -1.543 16.269 8.149 541 2HE2 GLN 64 2HE2 GLN 64 -2.683 16.743 9.359 542 H LYS 65 H LYS 65 -1.137 14.165 4.856 543 HA LYS 65 HA LYS 65 0.585 11.925 4.859 544 1HB LYS 65 2HB LYS 65 1.257 14.127 4.008 545 2HB LYS 65 1HB LYS 65 1.113 14.807 5.620 546 1HG LYS 65 2HG LYS 65 2.922 13.274 6.362 547 2HG LYS 65 1HG LYS 65 3.121 12.769 4.684 548 1HD LYS 65 2HD LYS 65 3.677 15.032 4.032 549 2HD LYS 65 1HD LYS 65 3.360 15.612 5.667 550 1HE LYS 65 2HE LYS 65 5.545 13.705 4.826 551 2HE LYS 65 1HE LYS 65 5.749 15.392 5.294 552 1HZ LYS 65 1HZ LYS 65 4.502 14.434 7.443 553 2HZ LYS 65 2HZ LYS 65 6.188 14.467 7.285 554 3HZ LYS 65 3HZ LYS 65 5.341 13.040 6.954 555 HN2 GLY 66 H GLY 66 0.510 10.524 6.509 556 1HA GLY 66 2HA GLY 66 1.425 10.023 8.693 557 2HA GLY 66 1HA GLY 66 0.896 11.611 9.226 558 H ALA 67 H ALA 67 -0.546 8.714 7.753 559 HA ALA 67 HA ALA 67 -2.779 8.973 9.654 560 1HB ALA 67 1HB ALA 67 -2.777 7.734 6.905 561 2HB ALA 67 2HB ALA 67 -3.481 9.290 7.346 562 3HB ALA 67 3HB ALA 67 -4.158 7.797 8.001 563 H SER 68 H SER 68 -3.683 7.022 10.504 564 HA SER 68 HA SER 68 -1.698 4.869 10.721 565 1HB SER 68 2HB SER 68 -4.034 5.530 12.528 566 2HB SER 68 1HB SER 68 -2.811 4.293 12.823 567 HG SER 68 HG SER 68 -2.451 7.108 12.719 568 H ASP 69 H ASP 69 -2.980 2.740 11.486 569 HA ASP 69 HA ASP 69 -4.037 1.562 9.220 570 1HB ASP 69 2HB ASP 69 -3.179 0.193 10.979 571 2HB ASP 69 1HB ASP 69 -4.323 0.847 12.142 572 H GLU 70 H GLU 70 -5.883 2.747 12.051 573 HA GLU 70 HA GLU 70 -8.409 2.090 11.062 574 1HB GLU 70 2HB GLU 70 -7.361 3.948 13.128 575 2HB GLU 70 1HB GLU 70 -9.031 4.125 12.629 576 1HG GLU 70 2HG GLU 70 -7.788 1.609 13.702 577 2HG GLU 70 1HG GLU 70 -8.810 2.724 14.611 578 H GLU 71 H GLU 71 -6.457 4.987 10.575 579 HA GLU 71 HA GLU 71 -8.546 6.550 9.431 580 1HB GLU 71 2HB GLU 71 -6.380 7.410 10.437 581 2HB GLU 71 1HB GLU 71 -5.580 6.881 8.963 582 1HG GLU 71 2HG GLU 71 -6.058 9.244 8.864 583 2HG GLU 71 1HG GLU 71 -7.007 8.379 7.658 584 H VAL 72 H VAL 72 -5.863 4.683 8.047 585 HA VAL 72 HA VAL 72 -6.536 5.062 5.342 586 HB VAL 72 HB VAL 72 -5.143 2.705 6.640 587 1HG1 VAL 72 1HG1 VAL 72 -4.206 2.273 4.420 588 2HG1 VAL 72 2HG1 VAL 72 -5.189 3.574 3.751 589 3HG1 VAL 72 3HG1 VAL 72 -5.964 2.137 4.416 590 1HG2 VAL 72 1HG2 VAL 72 -3.079 3.824 5.972 591 2HG2 VAL 72 2HG2 VAL 72 -4.026 4.830 7.070 592 3HG2 VAL 72 3HG2 VAL 72 -4.013 5.181 5.342 593 H LYS 73 H LYS 73 -7.403 2.534 7.650 594 HA LYS 73 HA LYS 73 -8.931 0.867 6.038 595 1HB LYS 73 2HB LYS 73 -8.207 0.443 8.384 596 2HB LYS 73 1HB LYS 73 -9.426 1.578 8.933 597 1HG LYS 73 2HG LYS 73 -11.170 0.126 7.977 598 2HG LYS 73 1HG LYS 73 -9.918 -1.033 7.521 599 1HD LYS 73 2HD LYS 73 -10.587 -0.118 10.319 600 2HD LYS 73 1HD LYS 73 -10.938 -1.702 9.621 601 1HE LYS 73 2HE LYS 73 -8.633 -2.254 9.501 602 2HE LYS 73 1HE LYS 73 -8.147 -0.598 9.850 603 1HZ LYS 73 1HZ LYS 73 -9.223 -0.892 12.067 604 2HZ LYS 73 2HZ LYS 73 -7.839 -1.836 11.808 605 3HZ LYS 73 3HZ LYS 73 -9.377 -2.548 11.716 606 H LYS 74 H LYS 74 -9.922 3.719 7.893 607 HA LYS 74 HA LYS 74 -12.662 3.576 7.281 608 1HB LYS 74 2HB LYS 74 -10.852 5.499 8.522 609 2HB LYS 74 1HB LYS 74 -12.162 6.269 7.637 610 1HG LYS 74 2HG LYS 74 -12.681 5.904 10.017 611 2HG LYS 74 1HG LYS 74 -13.807 5.084 8.934 612 1HD LYS 74 2HD LYS 74 -12.598 2.984 9.278 613 2HD LYS 74 1HD LYS 74 -11.471 3.807 10.357 614 1HE LYS 74 2HE LYS 74 -13.252 4.295 11.912 615 2HE LYS 74 1HE LYS 74 -14.445 3.615 10.809 616 1HZ LYS 74 1HZ LYS 74 -13.887 2.064 12.560 617 2HZ LYS 74 2HZ LYS 74 -12.245 2.115 12.131 618 3HZ LYS 74 3HZ LYS 74 -13.388 1.459 11.056 619 H LYS 75 H LYS 75 -10.030 5.407 5.712 620 HA LYS 75 HA LYS 75 -11.757 6.591 3.793 621 1HB LYS 75 2HB LYS 75 -8.784 6.336 4.026 622 2HB LYS 75 1HB LYS 75 -9.508 6.976 2.553 623 1HG LYS 75 2HG LYS 75 -9.943 8.079 5.328 624 2HG LYS 75 1HG LYS 75 -8.857 8.757 4.111 625 1HD LYS 75 2HD LYS 75 -10.731 9.175 2.628 626 2HD LYS 75 1HD LYS 75 -11.835 8.400 3.762 627 1HE LYS 75 2HE LYS 75 -11.964 10.846 3.879 628 2HE LYS 75 1HE LYS 75 -11.416 10.140 5.399 629 1HZ LYS 75 1HZ LYS 75 -9.398 11.002 3.456 630 2HZ LYS 75 2HZ LYS 75 -9.339 10.994 5.158 631 3HZ LYS 75 3HZ LYS 75 -10.220 12.192 4.344 632 H LEU 76 H LEU 76 -9.929 3.591 3.822 633 HA LEU 76 HA LEU 76 -10.425 2.849 1.141 634 1HB LEU 76 2HB LEU 76 -9.623 1.495 3.621 635 2HB LEU 76 1HB LEU 76 -10.524 0.476 2.518 636 HG LEU 76 HG LEU 76 -8.869 1.019 0.739 637 1HD1 LEU 76 1HD1 LEU 76 -7.344 2.299 2.999 638 2HD1 LEU 76 2HD1 LEU 76 -8.065 3.143 1.626 639 3HD1 LEU 76 3HD1 LEU 76 -6.738 2.010 1.367 640 1HD2 LEU 76 1HD2 LEU 76 -7.742 -0.194 3.255 641 2HD2 LEU 76 2HD2 LEU 76 -7.115 -0.422 1.622 642 3HD2 LEU 76 3HD2 LEU 76 -8.714 -1.033 2.046 643 H GLU 77 H GLU 77 -12.233 2.418 4.125 644 HA GLU 77 HA GLU 77 -14.367 0.910 3.091 645 1HB GLU 77 2HB GLU 77 -13.709 1.241 5.508 646 2HB GLU 77 1HB GLU 77 -14.452 2.828 5.420 647 1HG GLU 77 2HG GLU 77 -16.604 1.867 5.028 648 2HG GLU 77 1HG GLU 77 -15.910 0.251 4.894 649 H GLU 78 H GLU 78 -13.968 4.387 3.626 650 HA GLU 78 HA GLU 78 -16.416 5.356 2.789 651 1HB GLU 78 2HB GLU 78 -13.658 6.509 2.363 652 2HB GLU 78 1HB GLU 78 -15.142 7.400 2.068 653 1HG GLU 78 2HG GLU 78 -14.433 6.208 4.732 654 2HG GLU 78 1HG GLU 78 -14.001 7.850 4.253 655 H SER 79 H SER 79 -13.642 4.428 0.814 656 HA SER 79 HA SER 79 -14.992 5.219 -1.624 657 1HB SER 79 2HB SER 79 -12.276 3.945 -1.243 658 2HB SER 79 1HB SER 79 -12.873 4.765 -2.680 659 HG SER 79 HG SER 79 -12.116 5.849 -0.199 660 H ASN 80 H ASN 80 -15.044 2.549 0.322 661 HA ASN 80 HA ASN 80 -15.565 0.343 0.096 662 1HB ASN 80 2HB ASN 80 -16.583 1.252 -2.608 663 2HB ASN 80 1HB ASN 80 -16.918 -0.316 -1.889 664 1HD2 ASN 80 1HD2 ASN 80 -17.204 0.777 0.810 665 2HD2 ASN 80 2HD2 ASN 80 -18.725 1.600 0.828 666 H LEU 81 H LEU 81 -12.941 1.185 -0.569 667 HA LEU 81 HA LEU 81 -12.217 -0.441 -2.906 668 1HB LEU 81 2HB LEU 81 -11.581 1.980 -2.834 669 2HB LEU 81 1HB LEU 81 -10.571 1.628 -1.447 670 HG LEU 81 HG LEU 81 -9.187 0.143 -2.829 671 1HD1 LEU 81 1HD1 LEU 81 -10.900 -0.559 -4.421 672 2HD1 LEU 81 2HD1 LEU 81 -9.483 0.087 -5.245 673 3HD1 LEU 81 3HD1 LEU 81 -10.942 1.067 -5.101 674 1HD2 LEU 81 1HD2 LEU 81 -9.569 2.913 -3.959 675 2HD2 LEU 81 2HD2 LEU 81 -8.155 1.891 -4.212 676 3HD2 LEU 81 3HD2 LEU 81 -8.543 2.471 -2.593 677 H THR 82 H THR 82 -12.498 -0.828 0.293 678 HA THR 82 HA THR 82 -10.109 -1.762 1.308 679 HB THR 82 HB THR 82 -12.801 -2.993 1.897 680 HG1 THR 82 HG1 THR 82 -12.230 -1.054 3.624 681 1HG2 THR 82 1HG2 THR 82 -11.855 -3.231 4.166 682 2HG2 THR 82 2HG2 THR 82 -10.328 -2.573 3.583 683 3HG2 THR 82 3HG2 THR 82 -10.916 -4.109 2.957 684 H GLU 83 H GLU 83 -12.519 -3.501 -0.620 685 HA GLU 83 HA GLU 83 -11.544 -6.095 -0.333 686 1HB GLU 83 2HB GLU 83 -13.721 -5.530 -1.322 687 2HB GLU 83 1HB GLU 83 -12.909 -4.856 -2.725 688 1HG GLU 83 2HG GLU 83 -11.935 -7.101 -3.159 689 2HG GLU 83 1HG GLU 83 -12.931 -7.729 -1.847 690 H TYR 84 H TYR 84 -10.879 -3.722 -2.872 691 HA TYR 84 HA TYR 84 -9.157 -5.355 -4.388 692 1HB TYR 84 2HB TYR 84 -10.333 -3.355 -5.265 693 2HB TYR 84 1HB TYR 84 -9.284 -2.331 -4.293 694 HD1 TYR 84 HD2 TYR 84 -9.415 -4.605 -7.196 695 HD2 TYR 84 HD1 TYR 84 -7.050 -1.818 -5.009 696 HE1 TYR 84 HE2 TYR 84 -7.801 -4.527 -9.047 697 HE2 TYR 84 HE1 TYR 84 -5.430 -1.737 -6.858 698 HH TYR 84 HH TYR 84 -6.076 -2.852 -9.925 699 H MET 85 H MET 85 -8.637 -3.483 -1.539 700 HA MET 85 HA MET 85 -5.758 -3.413 -1.914 701 1HB MET 85 2HB MET 85 -7.194 -1.565 -0.832 702 2HB MET 85 1HB MET 85 -7.217 -2.600 0.586 703 1HG MET 85 2HG MET 85 -4.679 -1.671 -0.726 704 2HG MET 85 1HG MET 85 -5.484 -0.774 0.557 705 1HE MET 85 1HE MET 85 -2.413 -1.829 0.589 706 2HE MET 85 2HE MET 85 -2.293 -2.342 2.270 707 3HE MET 85 3HE MET 85 -3.133 -0.846 1.866 708 H LYS 86 H LYS 86 -8.158 -5.043 0.104 709 HA LYS 86 HA LYS 86 -6.283 -6.268 1.837 710 1HB LYS 86 2HB LYS 86 -8.731 -5.873 2.313 711 2HB LYS 86 1HB LYS 86 -9.079 -7.240 1.263 712 1HG LYS 86 2HG LYS 86 -7.847 -8.719 2.715 713 2HG LYS 86 1HG LYS 86 -7.371 -7.361 3.736 714 1HD LYS 86 2HD LYS 86 -9.773 -6.947 4.214 715 2HD LYS 86 1HD LYS 86 -10.169 -8.401 3.294 716 1HE LYS 86 2HE LYS 86 -10.125 -8.902 5.663 717 2HE LYS 86 1HE LYS 86 -8.802 -9.732 4.842 718 1HZ LYS 86 1HZ LYS 86 -8.576 -7.217 6.415 719 2HZ LYS 86 2HZ LYS 86 -7.301 -7.973 5.596 720 3HZ LYS 86 3HZ LYS 86 -8.045 -8.751 6.901 721 H GLU 87 H GLU 87 -8.047 -7.529 -1.013 722 HA GLU 87 HA GLU 87 -6.753 -10.088 -0.848 723 1HB GLU 87 2HB GLU 87 -8.969 -9.818 -1.892 724 2HB GLU 87 1HB GLU 87 -8.254 -8.828 -3.156 725 1HG GLU 87 2HG GLU 87 -6.853 -10.774 -3.801 726 2HG GLU 87 1HG GLU 87 -7.733 -11.742 -2.621 727 H LYS 88 H LYS 88 -4.780 -10.619 -1.594 728 HA LYS 88 HA LYS 88 -3.117 -8.506 -2.557 729 1HB LYS 88 2HB LYS 88 -1.300 -10.100 -2.517 730 2HB LYS 88 1HB LYS 88 -2.252 -10.236 -1.049 731 1HG LYS 88 2HG LYS 88 -3.305 -12.251 -1.879 732 2HG LYS 88 1HG LYS 88 -2.438 -12.094 -3.412 733 1HD LYS 88 2HD LYS 88 -0.311 -12.346 -2.266 734 2HD LYS 88 1HD LYS 88 -1.137 -12.417 -0.706 735 1HE LYS 88 2HE LYS 88 -2.272 -14.477 -1.416 736 2HE LYS 88 1HE LYS 88 -1.419 -14.400 -2.961 737 1HZ LYS 88 1HZ LYS 88 -0.034 -14.557 -0.340 738 2HZ LYS 88 2HZ LYS 88 0.652 -14.749 -1.885 739 3HZ LYS 88 3HZ LYS 88 -0.415 -15.916 -1.278 740 H ILE 89 H ILE 89 -1.927 -8.421 -4.488 741 HA ILE 89 HA ILE 89 -3.498 -9.093 -6.790 742 HB ILE 89 HB ILE 89 -0.741 -7.848 -6.631 743 1HG1 ILE 89 2HG1 ILE 89 -2.401 -6.504 -5.449 744 2HG1 ILE 89 1HG1 ILE 89 -1.915 -5.705 -6.941 745 1HG2 ILE 89 1HG2 ILE 89 -1.206 -7.016 -8.893 746 2HG2 ILE 89 2HG2 ILE 89 -2.720 -7.921 -8.911 747 3HG2 ILE 89 3HG2 ILE 89 -1.179 -8.778 -8.832 748 1HD1 ILE 89 1HD1 ILE 89 -4.296 -5.496 -6.607 749 2HD1 ILE 89 2HD1 ILE 89 -4.461 -7.246 -6.486 750 3HD1 ILE 89 3HD1 ILE 89 -3.974 -6.512 -8.012 751 H LYS 90 H LYS 90 -2.853 -10.411 -8.527 752 HA LYS 90 HA LYS 90 -1.181 -12.656 -7.665 753 1HB LYS 90 2HB LYS 90 -3.587 -13.050 -8.243 754 2HB LYS 90 1HB LYS 90 -3.222 -12.553 -9.888 755 1HG LYS 90 2HG LYS 90 -1.627 -14.412 -10.080 756 2HG LYS 90 1HG LYS 90 -2.065 -14.929 -8.448 757 1HD LYS 90 2HD LYS 90 -3.841 -14.822 -10.881 758 2HD LYS 90 1HD LYS 90 -3.312 -16.256 -10.000 759 1HE LYS 90 2HE LYS 90 -4.554 -15.481 -8.025 760 2HE LYS 90 1HE LYS 90 -5.103 -14.076 -8.934 761 1HZ LYS 90 1HZ LYS 90 -6.811 -15.716 -8.953 762 2HZ LYS 90 2HZ LYS 90 -5.742 -16.921 -9.478 763 3HZ LYS 90 3HZ LYS 90 -6.155 -15.641 -10.519 764 H ILE 91 H ILE 91 0.841 -12.535 -8.431 765 HA ILE 91 HA ILE 91 1.491 -11.239 -10.898 766 HB ILE 91 HB ILE 91 3.081 -11.318 -8.999 767 1HG1 ILE 91 2HG1 ILE 91 4.123 -12.674 -11.494 768 2HG1 ILE 91 1HG1 ILE 91 3.879 -10.940 -11.305 769 1HG2 ILE 91 1HG2 ILE 91 2.630 -13.552 -8.179 770 2HG2 ILE 91 2HG2 ILE 91 4.346 -13.377 -8.553 771 3HG2 ILE 91 3HG2 ILE 91 3.288 -14.253 -9.660 772 1HD1 ILE 91 1HD1 ILE 91 5.558 -10.904 -9.535 773 2HD1 ILE 91 2HD1 ILE 91 6.214 -11.534 -11.046 774 3HD1 ILE 91 3HD1 ILE 91 5.803 -12.640 -9.733 775 H ARG 92 H ARG 92 2.182 -12.213 -12.824 776 HA ARG 92 HA ARG 92 0.947 -14.767 -13.356 777 1HB ARG 92 2HB ARG 92 2.471 -12.875 -15.159 778 2HB ARG 92 1HB ARG 92 1.660 -14.339 -15.700 779 1HG ARG 92 2HG ARG 92 -0.480 -13.455 -15.081 780 2HG ARG 92 1HG ARG 92 0.271 -12.043 -14.339 781 1HD ARG 92 2HD ARG 92 -0.633 -11.476 -16.515 782 2HD ARG 92 1HD ARG 92 1.125 -11.353 -16.529 783 HE ARG 92 HE ARG 92 0.701 -13.851 -17.457 784 1HH1 ARG 92 1HH1 ARG 92 -0.623 -10.736 -18.352 785 2HH1 ARG 92 2HH1 ARG 92 -0.843 -11.161 -20.024 786 1HH2 ARG 92 1HH2 ARG 92 0.432 -14.418 -19.642 787 2HH2 ARG 92 2HH2 ARG 92 -0.252 -13.268 -20.756 788 H MET 93 H MET 93 2.164 -16.230 -12.198 789 HA MET 93 HA MET 93 5.023 -16.413 -12.652 790 1HB MET 93 2HB MET 93 4.084 -16.760 -10.393 791 2HB MET 93 1HB MET 93 3.187 -18.149 -10.986 792 1HG MET 93 2HG MET 93 5.250 -19.321 -11.454 793 2HG MET 93 1HG MET 93 6.186 -17.911 -10.965 794 1HE MET 93 1HE MET 93 6.891 -20.489 -8.090 795 2HE MET 93 2HE MET 93 7.606 -19.464 -9.331 796 3HE MET 93 3HE MET 93 6.646 -20.868 -9.793 797 HA PRO 94 HA PRO 94 4.319 -19.130 -16.123 798 1HB PRO 94 2HB PRO 94 7.230 -19.487 -16.068 799 2HB PRO 94 1HB PRO 94 6.211 -18.788 -17.328 800 1HG PRO 94 2HG PRO 94 7.864 -17.278 -15.834 801 2HG PRO 94 1HG PRO 94 6.301 -16.674 -16.413 802 1HD PRO 94 2HD PRO 94 7.050 -17.702 -13.702 803 2HD PRO 94 1HD PRO 94 6.041 -16.306 -14.136 804 H THR 95 H THR 95 6.135 -19.924 -13.269 805 HA THR 95 HA THR 95 6.182 -22.758 -13.910 806 HB THR 95 HB THR 95 7.149 -21.379 -11.399 807 HG1 THR 95 HG1 THR 95 8.221 -21.528 -13.940 808 1HG2 THR 95 1HG2 THR 95 6.779 -23.793 -11.158 809 2HG2 THR 95 2HG2 THR 95 8.498 -23.403 -11.101 810 3HG2 THR 95 3HG2 THR 95 7.800 -24.092 -12.566 811 H LEU 96 H LEU 96 4.448 -23.958 -13.460 812 HA LEU 96 HA LEU 96 3.063 -23.481 -10.927 813 1HB LEU 96 2HB LEU 96 0.882 -23.829 -11.897 814 2HB LEU 96 1HB LEU 96 1.672 -22.485 -12.690 815 HG LEU 96 HG LEU 96 1.608 -25.246 -13.905 816 1HD1 LEU 96 1HD1 LEU 96 -0.304 -24.490 -15.226 817 2HD1 LEU 96 2HD1 LEU 96 -0.347 -22.981 -14.310 818 3HD1 LEU 96 3HD1 LEU 96 -0.692 -24.513 -13.505 819 1HD2 LEU 96 1HD2 LEU 96 2.017 -24.052 -15.976 820 2HD2 LEU 96 2HD2 LEU 96 3.264 -23.651 -14.796 821 3HD2 LEU 96 3HD2 LEU 96 1.963 -22.509 -15.127
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