NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549661 | 2lj8 | 17374 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 9 H MET 9 1.808 0.000 0.855 2 HA MET 9 HA MET 9 2.545 0.973 -1.353 3 HB2 MET 9 2HB MET 9 2.744 -2.027 -1.040 4 HB3 MET 9 3HB MET 9 3.730 -1.056 -2.126 5 HG2 MET 9 2HG MET 9 5.120 -0.456 -0.499 6 HG3 MET 9 3HG MET 9 3.801 -0.092 0.611 7 HE1 MET 9 3HE MET 9 3.540 -2.483 2.996 8 HE2 MET 9 1HE MET 9 2.607 -1.471 1.893 9 HE3 MET 9 2HE MET 9 2.548 -3.227 1.741 10 H ALA 10 H ALA 10 -0.325 0.693 -1.540 11 HA ALA 10 HA ALA 10 -0.842 -0.934 -3.877 12 HB1 ALA 10 1HB ALA 10 -2.995 0.847 -3.314 13 HB2 ALA 10 2HB ALA 10 -2.919 -0.903 -3.104 14 HB3 ALA 10 3HB ALA 10 -2.403 0.166 -1.798 15 H MET 11 H MET 11 -1.226 2.540 -3.138 16 HA MET 11 HA MET 11 -1.128 4.392 -4.454 17 HB2 MET 11 2HB MET 11 0.801 2.636 -5.977 18 HB3 MET 11 3HB MET 11 0.570 4.350 -6.296 19 HG2 MET 11 2HG MET 11 1.070 4.470 -3.676 20 HG3 MET 11 3HG MET 11 1.960 3.002 -4.070 21 HE1 MET 11 3HE MET 11 5.083 4.024 -5.527 22 HE2 MET 11 1HE MET 11 4.696 4.011 -3.806 23 HE3 MET 11 2HE MET 11 3.986 2.805 -4.879 24 H SER 12 H SER 12 -3.264 4.384 -5.150 25 HA SER 12 HA SER 12 -3.650 3.452 -7.916 26 HB2 SER 12 2HB SER 12 -4.829 2.030 -6.165 27 HB3 SER 12 3HB SER 12 -5.835 3.439 -5.830 28 HG SER 12 HG SER 12 -6.704 1.925 -7.402 29 H GLY 13 H GLY 13 -4.848 5.636 -5.378 30 HA2 GLY 13 2HA GLY 13 -4.781 7.921 -7.021 31 HA3 GLY 13 3HA GLY 13 -6.416 7.277 -7.021 32 H VAL 14 H VAL 14 -6.245 6.291 -4.281 33 HA VAL 14 HA VAL 14 -7.349 8.402 -2.897 34 HB VAL 14 HB VAL 14 -7.595 6.147 -2.085 35 HG11 VAL 14 1HG1 VAL 14 -5.122 5.679 -0.767 36 HG12 VAL 14 2HG1 VAL 14 -5.892 4.725 -2.036 37 HG13 VAL 14 3HG1 VAL 14 -4.787 6.032 -2.462 38 HG21 VAL 14 3HG2 VAL 14 -7.171 6.487 0.291 39 HG22 VAL 14 1HG2 VAL 14 -6.065 7.808 -0.084 40 HG23 VAL 14 2HG2 VAL 14 -7.783 7.965 -0.450 41 H SER 15 H SER 15 -6.546 10.255 -2.187 42 HA SER 15 HA SER 15 -3.863 10.343 -1.052 43 HB2 SER 15 2HB SER 15 -4.473 11.340 -3.671 44 HB3 SER 15 3HB SER 15 -4.087 12.699 -2.616 45 HG SER 15 HG SER 15 -2.495 10.374 -2.970 46 H VAL 16 H VAL 16 -3.542 12.017 0.421 47 HA VAL 16 HA VAL 16 -5.909 12.995 1.686 48 HB VAL 16 HB VAL 16 -3.995 12.415 3.046 49 HG11 VAL 16 1HG1 VAL 16 -1.908 12.918 2.480 50 HG12 VAL 16 2HG1 VAL 16 -2.529 13.736 1.045 51 HG13 VAL 16 3HG1 VAL 16 -2.268 14.643 2.534 52 HG21 VAL 16 3HG2 VAL 16 -5.471 14.135 3.915 53 HG22 VAL 16 1HG2 VAL 16 -3.807 14.464 4.398 54 HG23 VAL 16 2HG2 VAL 16 -4.542 15.383 3.084 55 H ALA 17 H ALA 17 -6.989 14.791 1.241 56 HA ALA 17 HA ALA 17 -6.069 16.650 -0.722 57 HB1 ALA 17 1HB ALA 17 -8.181 17.909 0.015 58 HB2 ALA 17 2HB ALA 17 -8.377 16.320 -0.726 59 HB3 ALA 17 3HB ALA 17 -8.501 16.498 1.024 60 H ASP 18 H ASP 18 -5.949 18.993 -0.371 61 HA ASP 18 HA ASP 18 -4.069 19.693 1.559 62 HB2 ASP 18 2HB ASP 18 -5.932 21.301 -0.165 63 HB3 ASP 18 3HB ASP 18 -4.892 22.096 1.014 64 H GLU 19 H GLU 19 -7.587 19.976 1.601 65 HA GLU 19 HA GLU 19 -7.881 21.518 3.903 66 HB2 GLU 19 2HB GLU 19 -10.131 20.513 4.078 67 HB3 GLU 19 3HB GLU 19 -9.758 21.042 2.444 68 HG2 GLU 19 2HG GLU 19 -8.942 18.482 2.309 69 HG3 GLU 19 3HG GLU 19 -10.234 18.339 3.500 70 H CYS 20 H CYS 20 -7.497 18.023 3.534 71 HA CYS 20 HA CYS 20 -7.894 17.365 6.253 72 HB2 CYS 20 2HB CYS 20 -6.609 15.970 3.926 73 HB3 CYS 20 3HB CYS 20 -6.496 15.283 5.542 74 HG CYS 20 HG CYS 20 -9.614 16.000 5.157 75 H VAL 21 H VAL 21 -4.965 18.009 4.358 76 HA VAL 21 HA VAL 21 -3.084 17.473 6.358 77 HB VAL 21 HB VAL 21 -2.846 19.531 4.159 78 HG11 VAL 21 1HG1 VAL 21 -0.972 18.403 6.139 79 HG12 VAL 21 2HG1 VAL 21 -0.369 18.536 4.486 80 HG13 VAL 21 3HG1 VAL 21 -0.962 19.969 5.328 81 HG21 VAL 21 3HG2 VAL 21 -1.469 17.211 3.446 82 HG22 VAL 21 1HG2 VAL 21 -3.026 16.656 4.060 83 HG23 VAL 21 2HG2 VAL 21 -2.964 17.822 2.739 84 H THR 22 H THR 22 -4.868 20.422 5.592 85 HA THR 22 HA THR 22 -3.495 22.078 7.453 86 HB THR 22 HB THR 22 -6.306 22.567 6.487 87 HG1 THR 22 HG1 THR 22 -5.241 23.610 4.672 88 HG21 THR 22 3HG2 THR 22 -5.133 24.045 8.217 89 HG22 THR 22 1HG2 THR 22 -5.822 24.846 6.806 90 HG23 THR 22 2HG2 THR 22 -4.085 24.552 6.893 91 H ALA 23 H ALA 23 -6.492 20.204 7.582 92 HA ALA 23 HA ALA 23 -7.420 21.104 10.068 93 HB1 ALA 23 1HB ALA 23 -7.951 18.282 9.491 94 HB2 ALA 23 2HB ALA 23 -9.070 19.617 9.766 95 HB3 ALA 23 3HB ALA 23 -8.350 19.384 8.173 96 H LEU 24 H LEU 24 -5.405 18.281 9.266 97 HA LEU 24 HA LEU 24 -5.068 17.454 11.961 98 HB2 LEU 24 2HB LEU 24 -3.220 16.064 11.037 99 HB3 LEU 24 3HB LEU 24 -4.775 15.847 10.235 100 HG LEU 24 HG LEU 24 -3.712 17.654 8.583 101 HD11 LEU 24 1HD1 LEU 24 -1.593 17.326 10.223 102 HD12 LEU 24 2HD1 LEU 24 -1.468 17.783 8.525 103 HD13 LEU 24 3HD1 LEU 24 -1.252 16.099 9.003 104 HD21 LEU 24 3HD2 LEU 24 -2.583 15.154 7.820 105 HD22 LEU 24 1HD2 LEU 24 -4.041 15.941 7.215 106 HD23 LEU 24 2HD2 LEU 24 -4.136 14.857 8.603 107 H ASN 25 H ASN 25 -3.192 19.491 9.779 108 HA ASN 25 HA ASN 25 -0.866 19.749 11.293 109 HB2 ASN 25 2HB ASN 25 -0.854 20.583 9.064 110 HB3 ASN 25 3HB ASN 25 -2.227 21.641 9.376 111 HD21 ASN 25 1HD2 ASN 25 -1.797 23.684 9.787 112 HD22 ASN 25 2HD2 ASN 25 -0.273 24.318 10.296 113 H ASP 26 H ASP 26 -3.834 21.700 11.354 114 HA ASP 26 HA ASP 26 -2.915 23.423 13.435 115 HB2 ASP 26 2HB ASP 26 -5.787 22.921 12.648 116 HB3 ASP 26 3HB ASP 26 -5.118 24.357 13.419 117 H LEU 27 H LEU 27 -4.868 20.494 13.314 118 HA LEU 27 HA LEU 27 -5.825 20.482 15.933 119 HB2 LEU 27 2HB LEU 27 -6.347 18.925 13.941 120 HB3 LEU 27 3HB LEU 27 -4.980 17.977 14.522 121 HG LEU 27 HG LEU 27 -6.379 18.143 16.797 122 HD11 LEU 27 1HD1 LEU 27 -8.180 19.460 15.850 123 HD12 LEU 27 2HD1 LEU 27 -8.765 17.858 16.297 124 HD13 LEU 27 3HD1 LEU 27 -8.447 18.240 14.605 125 HD21 LEU 27 3HD2 LEU 27 -5.684 16.185 15.057 126 HD22 LEU 27 1HD2 LEU 27 -7.444 16.092 14.984 127 HD23 LEU 27 2HD2 LEU 27 -6.617 15.924 16.532 128 H ARG 28 H ARG 28 -2.721 19.481 14.620 129 HA ARG 28 HA ARG 28 -1.740 18.142 16.889 130 HB2 ARG 28 2HB ARG 28 0.250 18.015 15.767 131 HB3 ARG 28 3HB ARG 28 -0.811 18.400 14.418 132 HG2 ARG 28 2HG ARG 28 -0.195 20.870 15.048 133 HG3 ARG 28 3HG ARG 28 1.207 20.099 15.792 134 HD2 ARG 28 2HD ARG 28 0.597 19.131 13.098 135 HD3 ARG 28 3HD ARG 28 1.014 20.842 13.168 136 HE ARG 28 HE ARG 28 2.784 18.640 13.500 137 HH11 ARG 28 1HH1 ARG 28 2.168 21.901 14.553 138 HH12 ARG 28 2HH1 ARG 28 3.825 22.230 14.935 139 HH21 ARG 28 1HH2 ARG 28 4.970 19.061 13.999 140 HH22 ARG 28 2HH2 ARG 28 5.419 20.614 14.619 141 H HIS 29 H HIS 29 -2.122 21.501 16.175 142 HA HIS 29 HA HIS 29 -0.368 22.310 18.363 143 HB2 HIS 29 2HB HIS 29 -1.169 23.501 15.920 144 HB3 HIS 29 3HB HIS 29 -1.807 24.509 17.215 145 HD1 HIS 29 HD1 HIS 29 -0.238 26.424 17.350 146 HD2 HIS 29 HD2 HIS 29 1.759 22.793 17.050 147 HE1 HIS 29 HE1 HIS 29 2.203 26.976 17.600 148 H LYS 30 H LYS 30 -3.087 20.918 18.571 149 HA LYS 30 HA LYS 30 -4.848 20.922 20.010 150 HB2 LYS 30 2HB LYS 30 -2.935 21.596 21.579 151 HB3 LYS 30 3HB LYS 30 -3.551 23.237 21.435 152 HG2 LYS 30 2HG LYS 30 -5.820 22.077 22.108 153 HG3 LYS 30 3HG LYS 30 -4.726 20.880 22.805 154 HD2 LYS 30 2HD LYS 30 -4.604 23.842 23.365 155 HD3 LYS 30 3HD LYS 30 -5.409 22.661 24.400 156 HE2 LYS 30 2HE LYS 30 -3.474 22.258 25.410 157 HE3 LYS 30 3HE LYS 30 -2.812 21.681 23.881 158 HZ1 LYS 30 3HZ LYS 30 -1.372 23.362 24.303 159 HZ2 LYS 30 1HZ LYS 30 -2.491 24.274 25.186 160 HZ3 LYS 30 2HZ LYS 30 -2.554 24.264 23.496 161 H LYS 31 H LYS 31 -5.303 22.236 17.675 162 HA LYS 31 HA LYS 31 -6.335 24.873 18.079 163 HB2 LYS 31 2HB LYS 31 -7.044 24.778 15.810 164 HB3 LYS 31 3HB LYS 31 -5.496 23.945 15.888 165 HG2 LYS 31 2HG LYS 31 -6.544 22.361 14.710 166 HG3 LYS 31 3HG LYS 31 -7.215 21.883 16.271 167 HD2 LYS 31 2HD LYS 31 -9.068 22.036 14.833 168 HD3 LYS 31 3HD LYS 31 -9.100 23.528 15.775 169 HE2 LYS 31 2HE LYS 31 -8.583 24.828 13.985 170 HE3 LYS 31 3HE LYS 31 -7.589 23.583 13.231 171 HZ1 LYS 31 3HZ LYS 31 -9.314 22.811 12.064 172 HZ2 LYS 31 1HZ LYS 31 -10.052 24.294 12.411 173 HZ3 LYS 31 2HZ LYS 31 -10.396 22.936 13.359 174 H SER 32 H SER 32 -7.609 21.646 18.311 175 HA SER 32 HA SER 32 -10.091 22.713 19.389 176 HB2 SER 32 2HB SER 32 -9.904 21.562 16.744 177 HB3 SER 32 3HB SER 32 -10.957 20.586 17.769 178 HG SER 32 HG SER 32 -11.174 23.398 17.443 179 H ARG 33 H ARG 33 -9.251 19.477 18.203 180 HA ARG 33 HA ARG 33 -8.461 18.412 20.687 181 HB2 ARG 33 2HB ARG 33 -10.890 18.873 21.163 182 HB3 ARG 33 3HB ARG 33 -11.292 17.698 19.918 183 HG2 ARG 33 2HG ARG 33 -11.434 16.411 21.804 184 HG3 ARG 33 3HG ARG 33 -9.761 16.118 21.324 185 HD2 ARG 33 2HD ARG 33 -8.925 17.188 23.120 186 HD3 ARG 33 3HD ARG 33 -10.162 18.443 23.073 187 HE ARG 33 HE ARG 33 -11.260 15.974 23.931 188 HH11 ARG 33 1HH1 ARG 33 -9.286 18.635 24.999 189 HH12 ARG 33 2HH1 ARG 33 -9.704 18.446 26.669 190 HH21 ARG 33 1HH2 ARG 33 -11.818 15.714 26.127 191 HH22 ARG 33 2HH2 ARG 33 -11.144 16.783 27.310 192 H TYR 34 H TYR 34 -10.655 17.150 18.178 193 HA TYR 34 HA TYR 34 -8.485 15.515 17.109 194 HB2 TYR 34 2HB TYR 34 -9.916 13.478 17.179 195 HB3 TYR 34 3HB TYR 34 -9.456 14.058 18.775 196 HD1 TYR 34 HD1 TYR 34 -12.236 13.905 16.340 197 HD2 TYR 34 HD2 TYR 34 -11.095 14.719 20.357 198 HE1 TYR 34 HE1 TYR 34 -14.606 13.955 16.996 199 HE2 TYR 34 HE2 TYR 34 -13.461 14.771 21.025 200 HH TYR 34 HH TYR 34 -15.775 13.519 19.702 201 H VAL 35 H VAL 35 -8.931 14.635 15.014 202 HA VAL 35 HA VAL 35 -11.251 15.827 13.651 203 HB VAL 35 HB VAL 35 -9.276 17.181 13.127 204 HG11 VAL 35 1HG1 VAL 35 -7.906 15.235 11.478 205 HG12 VAL 35 2HG1 VAL 35 -7.262 16.326 12.706 206 HG13 VAL 35 3HG1 VAL 35 -7.923 14.759 13.176 207 HG21 VAL 35 3HG2 VAL 35 -10.956 17.018 11.425 208 HG22 VAL 35 1HG2 VAL 35 -9.375 16.956 10.646 209 HG23 VAL 35 2HG2 VAL 35 -10.308 15.476 10.865 210 H ILE 36 H ILE 36 -12.374 14.443 12.435 211 HA ILE 36 HA ILE 36 -11.144 11.837 11.818 212 HB ILE 36 HB ILE 36 -14.099 12.372 12.096 213 HG12 ILE 36 2HG1 ILE 36 -12.176 11.232 14.136 214 HG13 ILE 36 3HG1 ILE 36 -12.986 12.792 14.241 215 HG21 ILE 36 1HG2 ILE 36 -12.591 10.188 11.103 216 HG22 ILE 36 2HG2 ILE 36 -13.335 9.687 12.621 217 HG23 ILE 36 3HG2 ILE 36 -14.338 10.311 11.311 218 HD11 ILE 36 3HD1 ILE 36 -14.134 11.266 15.652 219 HD12 ILE 36 1HD1 ILE 36 -15.159 11.572 14.250 220 HD13 ILE 36 2HD1 ILE 36 -14.245 10.067 14.364 221 H MET 37 H MET 37 -10.838 11.397 9.742 222 HA MET 37 HA MET 37 -12.574 12.696 7.751 223 HB2 MET 37 2HB MET 37 -9.646 12.144 7.299 224 HB3 MET 37 3HB MET 37 -10.729 13.111 6.308 225 HG2 MET 37 2HG MET 37 -9.738 14.820 7.365 226 HG3 MET 37 3HG MET 37 -10.910 14.449 8.628 227 HE1 MET 37 3HE MET 37 -7.477 13.659 7.201 228 HE2 MET 37 1HE MET 37 -7.117 15.127 8.111 229 HE3 MET 37 2HE MET 37 -6.421 13.586 8.613 230 H HIS 38 H HIS 38 -12.806 11.540 5.740 231 HA HIS 38 HA HIS 38 -12.101 8.689 5.888 232 HB2 HIS 38 2HB HIS 38 -14.283 8.003 5.234 233 HB3 HIS 38 3HB HIS 38 -14.504 9.139 6.561 234 HD1 HIS 38 HD1 HIS 38 -16.080 8.342 3.587 235 HD2 HIS 38 HD2 HIS 38 -14.757 11.945 5.178 236 HE1 HIS 38 HE1 HIS 38 -17.399 10.126 2.402 237 H ILE 39 H ILE 39 -12.405 7.590 3.732 238 HA ILE 39 HA ILE 39 -11.154 9.232 1.697 239 HB ILE 39 HB ILE 39 -11.900 6.317 1.492 240 HG12 ILE 39 2HG1 ILE 39 -9.342 7.569 2.516 241 HG13 ILE 39 3HG1 ILE 39 -10.500 6.648 3.469 242 HG21 ILE 39 1HG2 ILE 39 -9.726 7.848 0.079 243 HG22 ILE 39 2HG2 ILE 39 -10.287 6.211 -0.257 244 HG23 ILE 39 3HG2 ILE 39 -11.335 7.588 -0.594 245 HD11 ILE 39 3HD1 ILE 39 -9.892 4.899 1.468 246 HD12 ILE 39 1HD1 ILE 39 -8.358 5.733 1.719 247 HD13 ILE 39 2HD1 ILE 39 -9.153 4.922 3.069 248 H VAL 40 H VAL 40 -12.138 10.091 -0.015 249 HA VAL 40 HA VAL 40 -14.920 9.287 -0.560 250 HB VAL 40 HB VAL 40 -13.636 11.929 -1.258 251 HG11 VAL 40 1HG1 VAL 40 -16.213 12.478 -1.275 252 HG12 VAL 40 2HG1 VAL 40 -15.418 11.779 -2.687 253 HG13 VAL 40 3HG1 VAL 40 -16.347 10.749 -1.597 254 HG21 VAL 40 3HG2 VAL 40 -15.092 12.801 0.612 255 HG22 VAL 40 1HG2 VAL 40 -15.297 11.124 1.119 256 HG23 VAL 40 2HG2 VAL 40 -13.691 11.853 1.111 257 H ASP 41 H ASP 41 -15.376 8.418 -2.476 258 HA ASP 41 HA ASP 41 -15.172 7.670 -4.614 259 HB2 ASP 41 2HB ASP 41 -14.386 10.383 -4.668 260 HB3 ASP 41 3HB ASP 41 -13.232 9.509 -5.671 261 H GLN 42 H GLN 42 -13.062 7.147 -2.426 262 HA GLN 42 HA GLN 42 -11.082 6.038 -2.184 263 HB2 GLN 42 2HB GLN 42 -11.738 4.787 -4.845 264 HB3 GLN 42 3HB GLN 42 -10.858 4.073 -3.500 265 HG2 GLN 42 2HG GLN 42 -12.965 4.182 -2.167 266 HG3 GLN 42 3HG GLN 42 -13.798 4.687 -3.637 267 HE21 GLN 42 1HE2 GLN 42 -14.737 2.507 -2.486 268 HE22 GLN 42 2HE2 GLN 42 -14.287 1.079 -3.349 269 H LYS 43 H LYS 43 -10.936 8.596 -3.541 270 HA LYS 43 HA LYS 43 -8.344 8.212 -4.834 271 HB2 LYS 43 2HB LYS 43 -10.722 8.868 -6.257 272 HB3 LYS 43 3HB LYS 43 -9.694 10.296 -6.242 273 HG2 LYS 43 2HG LYS 43 -7.830 8.879 -7.092 274 HG3 LYS 43 3HG LYS 43 -8.985 7.554 -7.258 275 HD2 LYS 43 2HD LYS 43 -10.359 9.307 -8.624 276 HD3 LYS 43 3HD LYS 43 -8.798 10.114 -8.788 277 HE2 LYS 43 2HE LYS 43 -7.898 8.412 -10.044 278 HE3 LYS 43 3HE LYS 43 -8.980 7.196 -9.367 279 HZ1 LYS 43 3HZ LYS 43 -10.258 9.292 -10.913 280 HZ2 LYS 43 1HZ LYS 43 -10.557 7.627 -10.888 281 HZ3 LYS 43 2HZ LYS 43 -9.270 8.241 -11.796 282 H SER 44 H SER 44 -10.734 10.468 -3.528 283 HA SER 44 HA SER 44 -8.505 12.150 -2.586 284 HB2 SER 44 2HB SER 44 -10.872 12.875 -4.146 285 HB3 SER 44 3HB SER 44 -10.674 13.859 -2.696 286 HG SER 44 HG SER 44 -8.782 14.606 -3.439 287 H ILE 45 H ILE 45 -8.413 12.418 -0.456 288 HA ILE 45 HA ILE 45 -10.494 11.308 1.214 289 HB ILE 45 HB ILE 45 -7.937 12.692 2.033 290 HG12 ILE 45 2HG1 ILE 45 -8.524 9.736 1.763 291 HG13 ILE 45 3HG1 ILE 45 -7.562 10.679 0.630 292 HG21 ILE 45 1HG2 ILE 45 -9.687 12.608 3.771 293 HG22 ILE 45 2HG2 ILE 45 -9.737 10.854 3.603 294 HG23 ILE 45 3HG2 ILE 45 -8.271 11.642 4.184 295 HD11 ILE 45 3HD1 ILE 45 -5.839 9.951 1.845 296 HD12 ILE 45 1HD1 ILE 45 -6.309 11.222 2.972 297 HD13 ILE 45 2HD1 ILE 45 -6.851 9.565 3.236 298 H ALA 46 H ALA 46 -12.007 12.394 2.314 299 HA ALA 46 HA ALA 46 -11.769 15.322 2.512 300 HB1 ALA 46 1HB ALA 46 -13.797 15.723 1.590 301 HB2 ALA 46 2HB ALA 46 -13.445 14.212 0.748 302 HB3 ALA 46 3HB ALA 46 -14.485 14.207 2.172 303 H VAL 47 H VAL 47 -12.998 16.285 4.247 304 HA VAL 47 HA VAL 47 -12.913 14.684 6.633 305 HB VAL 47 HB VAL 47 -13.697 16.769 7.766 306 HG11 VAL 47 1HG1 VAL 47 -11.461 17.740 6.130 307 HG12 VAL 47 2HG1 VAL 47 -11.578 17.511 7.876 308 HG13 VAL 47 3HG1 VAL 47 -11.230 16.136 6.826 309 HG21 VAL 47 3HG2 VAL 47 -14.616 18.443 6.628 310 HG22 VAL 47 1HG2 VAL 47 -13.201 18.564 5.583 311 HG23 VAL 47 2HG2 VAL 47 -14.511 17.459 5.169 312 H LYS 48 H LYS 48 -14.580 13.894 7.820 313 HA LYS 48 HA LYS 48 -17.250 14.065 6.602 314 HB2 LYS 48 2HB LYS 48 -15.993 11.821 7.018 315 HB3 LYS 48 3HB LYS 48 -16.476 12.055 8.693 316 HG2 LYS 48 2HG LYS 48 -18.095 10.653 7.685 317 HG3 LYS 48 3HG LYS 48 -18.842 12.239 7.888 318 HD2 LYS 48 2HD LYS 48 -17.874 12.567 5.430 319 HD3 LYS 48 3HD LYS 48 -18.041 10.810 5.412 320 HE2 LYS 48 2HE LYS 48 -20.287 10.903 5.370 321 HE3 LYS 48 3HE LYS 48 -20.352 12.250 6.506 322 HZ1 LYS 48 3HZ LYS 48 -20.467 12.276 3.647 323 HZ2 LYS 48 1HZ LYS 48 -19.299 13.344 4.246 324 HZ3 LYS 48 2HZ LYS 48 -20.907 13.477 4.754 325 H THR 49 H THR 49 -15.560 14.201 9.713 326 HA THR 49 HA THR 49 -17.423 16.139 10.717 327 HB THR 49 HB THR 49 -17.393 13.375 11.939 328 HG1 THR 49 HG1 THR 49 -19.393 14.988 10.716 329 HG21 THR 49 3HG2 THR 49 -18.439 15.990 13.006 330 HG22 THR 49 1HG2 THR 49 -17.328 14.862 13.782 331 HG23 THR 49 2HG2 THR 49 -19.025 14.427 13.576 332 H ILE 50 H ILE 50 -16.250 17.518 11.864 333 HA ILE 50 HA ILE 50 -13.709 16.613 13.007 334 HB ILE 50 HB ILE 50 -13.685 18.580 11.496 335 HG12 ILE 50 2HG1 ILE 50 -12.970 19.587 14.225 336 HG13 ILE 50 3HG1 ILE 50 -12.146 18.168 13.587 337 HG21 ILE 50 1HG2 ILE 50 -15.027 20.349 11.739 338 HG22 ILE 50 2HG2 ILE 50 -15.958 19.332 12.837 339 HG23 ILE 50 3HG2 ILE 50 -14.742 20.437 13.477 340 HD11 ILE 50 3HD1 ILE 50 -11.066 20.457 13.245 341 HD12 ILE 50 1HD1 ILE 50 -11.164 19.372 11.858 342 HD13 ILE 50 2HD1 ILE 50 -12.304 20.709 12.015 343 H GLY 51 H GLY 51 -13.140 16.992 15.154 344 HA2 GLY 51 2HA GLY 51 -15.409 17.138 16.973 345 HA3 GLY 51 3HA GLY 51 -13.762 16.693 17.393 346 H GLU 52 H GLU 52 -13.658 18.063 19.166 347 HA GLU 52 HA GLU 52 -12.684 20.643 18.723 348 HB2 GLU 52 2HB GLU 52 -14.579 21.932 19.803 349 HB3 GLU 52 3HB GLU 52 -14.859 21.389 18.155 350 HG2 GLU 52 2HG GLU 52 -15.767 19.384 19.973 351 HG3 GLU 52 3HG GLU 52 -16.452 20.944 20.426 352 H ARG 53 H ARG 53 -14.301 18.425 20.907 353 HA ARG 53 HA ARG 53 -12.274 18.599 22.858 354 HB2 ARG 53 2HB ARG 53 -14.494 20.489 23.103 355 HB3 ARG 53 3HB ARG 53 -14.273 19.491 24.534 356 HG2 ARG 53 2HG ARG 53 -12.468 20.624 25.156 357 HG3 ARG 53 3HG ARG 53 -11.757 20.520 23.544 358 HD2 ARG 53 2HD ARG 53 -12.232 22.849 24.391 359 HD3 ARG 53 3HD ARG 53 -12.904 22.452 22.810 360 HE ARG 53 HE ARG 53 -14.762 21.952 24.913 361 HH11 ARG 53 1HH1 ARG 53 -13.378 24.464 22.939 362 HH12 ARG 53 2HH1 ARG 53 -14.750 25.512 23.081 363 HH21 ARG 53 1HH2 ARG 53 -16.575 23.323 25.108 364 HH22 ARG 53 2HH2 ARG 53 -16.568 24.863 24.316 365 H GLY 54 H GLY 54 -15.632 17.837 22.120 366 HA2 GLY 54 2HA GLY 54 -15.384 15.132 22.841 367 HA3 GLY 54 3HA GLY 54 -16.107 15.999 24.188 368 H ALA 55 H ALA 55 -16.461 15.548 20.677 369 HA ALA 55 HA ALA 55 -19.009 16.541 20.342 370 HB1 ALA 55 1HB ALA 55 -19.173 15.157 18.370 371 HB2 ALA 55 2HB ALA 55 -17.534 15.793 18.512 372 HB3 ALA 55 3HB ALA 55 -17.872 14.119 18.953 373 H ASN 56 H ASN 56 -21.070 15.439 20.093 374 HA ASN 56 HA ASN 56 -21.678 13.818 22.354 375 HB2 ASN 56 2HB ASN 56 -23.128 15.499 20.765 376 HB3 ASN 56 3HB ASN 56 -23.682 13.927 20.197 377 HD21 ASN 56 1HD2 ASN 56 -23.882 16.272 22.634 378 HD22 ASN 56 2HD2 ASN 56 -24.921 15.410 23.712 379 H PHE 57 H PHE 57 -22.503 11.688 22.388 380 HA PHE 57 HA PHE 57 -21.125 9.866 20.728 381 HB2 PHE 57 2HB PHE 57 -23.037 9.713 22.961 382 HB3 PHE 57 3HB PHE 57 -23.102 8.349 21.849 383 HD1 PHE 57 HD1 PHE 57 -20.760 7.325 21.227 384 HD2 PHE 57 HD2 PHE 57 -21.551 9.643 24.709 385 HE1 PHE 57 HE1 PHE 57 -18.797 6.333 22.329 386 HE2 PHE 57 HE2 PHE 57 -19.588 8.655 25.816 387 HZ PHE 57 HZ PHE 57 -18.208 6.999 24.626 388 H ASP 58 H ASP 58 -24.362 11.203 20.641 389 HA ASP 58 HA ASP 58 -25.451 9.402 18.749 390 HB2 ASP 58 2HB ASP 58 -26.194 12.179 19.640 391 HB3 ASP 58 3HB ASP 58 -27.070 11.373 18.341 392 H GLN 59 H GLN 59 -23.967 12.612 18.407 393 HA GLN 59 HA GLN 59 -24.209 12.639 15.560 394 HB2 GLN 59 2HB GLN 59 -22.879 14.663 15.648 395 HB3 GLN 59 3HB GLN 59 -24.096 14.703 16.917 396 HG2 GLN 59 2HG GLN 59 -22.413 14.042 18.556 397 HG3 GLN 59 3HG GLN 59 -21.193 13.999 17.285 398 HE21 GLN 59 1HE2 GLN 59 -23.559 16.152 18.796 399 HE22 GLN 59 2HE2 GLN 59 -22.614 17.589 18.638 400 H PHE 60 H PHE 60 -21.685 11.755 17.845 401 HA PHE 60 HA PHE 60 -19.557 11.527 16.027 402 HB2 PHE 60 2HB PHE 60 -19.092 11.548 18.381 403 HB3 PHE 60 3HB PHE 60 -20.098 10.128 18.649 404 HD1 PHE 60 HD1 PHE 60 -16.895 11.342 17.342 405 HD2 PHE 60 HD2 PHE 60 -19.281 7.922 18.195 406 HE1 PHE 60 HE1 PHE 60 -14.921 9.899 17.062 407 HE2 PHE 60 HE2 PHE 60 -17.311 6.474 17.918 408 HZ PHE 60 HZ PHE 60 -15.128 7.462 17.352 409 H ILE 61 H ILE 61 -21.829 9.073 17.238 410 HA ILE 61 HA ILE 61 -20.781 6.985 15.608 411 HB ILE 61 HB ILE 61 -23.448 7.196 17.010 412 HG12 ILE 61 2HG1 ILE 61 -21.464 7.270 18.496 413 HG13 ILE 61 3HG1 ILE 61 -22.427 5.816 18.732 414 HG21 ILE 61 1HG2 ILE 61 -23.950 5.479 15.636 415 HG22 ILE 61 2HG2 ILE 61 -22.259 5.122 15.290 416 HG23 ILE 61 3HG2 ILE 61 -22.990 4.552 16.789 417 HD11 ILE 61 3HD1 ILE 61 -20.019 5.374 18.758 418 HD12 ILE 61 1HD1 ILE 61 -20.842 4.522 17.452 419 HD13 ILE 61 2HD1 ILE 61 -19.903 5.973 17.103 420 H GLU 62 H GLU 62 -23.472 9.247 15.296 421 HA GLU 62 HA GLU 62 -24.714 8.123 13.059 422 HB2 GLU 62 2HB GLU 62 -24.620 10.847 14.266 423 HB3 GLU 62 3HB GLU 62 -25.281 10.684 12.645 424 HG2 GLU 62 2HG GLU 62 -27.011 9.268 13.382 425 HG3 GLU 62 3HG GLU 62 -26.242 9.018 14.948 426 H ALA 63 H ALA 63 -22.022 10.396 13.306 427 HA ALA 63 HA ALA 63 -21.798 10.782 10.475 428 HB1 ALA 63 1HB ALA 63 -19.598 11.847 11.104 429 HB2 ALA 63 2HB ALA 63 -21.035 12.557 11.841 430 HB3 ALA 63 3HB ALA 63 -20.000 11.483 12.783 431 H ILE 64 H ILE 64 -19.804 9.063 12.882 432 HA ILE 64 HA ILE 64 -18.053 7.911 10.985 433 HB ILE 64 HB ILE 64 -18.714 6.959 13.775 434 HG12 ILE 64 2HG1 ILE 64 -17.850 9.279 13.663 435 HG13 ILE 64 3HG1 ILE 64 -16.729 8.185 14.464 436 HG21 ILE 64 1HG2 ILE 64 -16.892 5.969 11.702 437 HG22 ILE 64 2HG2 ILE 64 -16.153 6.191 13.287 438 HG23 ILE 64 3HG2 ILE 64 -17.565 5.149 13.111 439 HD11 ILE 64 3HD1 ILE 64 -15.131 8.724 13.041 440 HD12 ILE 64 1HD1 ILE 64 -16.144 8.275 11.669 441 HD13 ILE 64 2HD1 ILE 64 -16.218 9.912 12.322 442 H ASP 65 H ASP 65 -18.006 5.893 10.047 443 HA ASP 65 HA ASP 65 -20.369 4.183 10.410 444 HB2 ASP 65 2HB ASP 65 -19.358 5.425 7.899 445 HB3 ASP 65 3HB ASP 65 -19.963 3.773 7.804 446 H LYS 66 H LYS 66 -19.617 2.340 11.211 447 HA LYS 66 HA LYS 66 -16.948 1.443 10.919 448 HB2 LYS 66 2HB LYS 66 -18.286 0.820 12.853 449 HB3 LYS 66 3HB LYS 66 -19.430 -0.029 11.822 450 HG2 LYS 66 2HG LYS 66 -16.822 -1.062 11.332 451 HG3 LYS 66 3HG LYS 66 -17.112 -1.038 13.073 452 HD2 LYS 66 2HD LYS 66 -18.938 -2.461 12.916 453 HD3 LYS 66 3HD LYS 66 -19.206 -2.090 11.211 454 HE2 LYS 66 2HE LYS 66 -17.777 -3.677 10.522 455 HE3 LYS 66 3HE LYS 66 -16.598 -3.291 11.774 456 HZ1 LYS 66 3HZ LYS 66 -17.752 -5.562 11.836 457 HZ2 LYS 66 1HZ LYS 66 -19.088 -4.721 12.445 458 HZ3 LYS 66 2HZ LYS 66 -17.620 -4.695 13.283 459 H ASN 67 H ASN 67 -16.485 1.329 8.710 460 HA ASN 67 HA ASN 67 -16.845 -1.156 7.485 461 HB2 ASN 67 2HB ASN 67 -19.033 0.668 7.071 462 HB3 ASN 67 3HB ASN 67 -18.218 0.363 5.540 463 HD21 ASN 67 1HD2 ASN 67 -17.634 -2.057 5.277 464 HD22 ASN 67 2HD2 ASN 67 -18.923 -3.158 5.614 465 H VAL 68 H VAL 68 -16.982 2.101 6.051 466 HA VAL 68 HA VAL 68 -14.855 1.565 4.247 467 HB VAL 68 HB VAL 68 -14.928 4.040 3.812 468 HG11 VAL 68 1HG1 VAL 68 -17.199 3.987 2.816 469 HG12 VAL 68 2HG1 VAL 68 -16.249 2.541 2.469 470 HG13 VAL 68 3HG1 VAL 68 -17.513 2.493 3.698 471 HG21 VAL 68 3HG2 VAL 68 -17.435 4.482 5.169 472 HG22 VAL 68 1HG2 VAL 68 -16.150 4.103 6.316 473 HG23 VAL 68 2HG2 VAL 68 -15.960 5.449 5.193 474 HA PRO 69 HA PRO 69 -11.277 2.551 6.592 475 HB2 PRO 69 2HB PRO 69 -9.693 3.664 4.689 476 HB3 PRO 69 3HB PRO 69 -10.048 1.934 4.751 477 HG2 PRO 69 2HG PRO 69 -11.287 4.061 3.048 478 HG3 PRO 69 3HG PRO 69 -10.784 2.421 2.600 479 HD2 PRO 69 2HD PRO 69 -13.365 3.066 3.103 480 HD3 PRO 69 3HD PRO 69 -12.694 1.463 3.465 481 H CYS 70 H CYS 70 -11.323 4.118 8.080 482 HA CYS 70 HA CYS 70 -11.191 6.907 7.163 483 HB2 CYS 70 2HB CYS 70 -12.811 5.971 9.539 484 HB3 CYS 70 3HB CYS 70 -12.698 7.615 8.923 485 HG CYS 70 HG CYS 70 -14.564 5.043 7.829 486 H TYR 71 H TYR 71 -10.181 8.371 8.663 487 HA TYR 71 HA TYR 71 -8.500 7.043 10.682 488 HB2 TYR 71 2HB TYR 71 -7.534 9.305 8.934 489 HB3 TYR 71 3HB TYR 71 -6.582 8.295 10.017 490 HD1 TYR 71 HD1 TYR 71 -8.345 8.405 6.786 491 HD2 TYR 71 HD2 TYR 71 -5.801 6.133 9.329 492 HE1 TYR 71 HE1 TYR 71 -7.838 6.890 4.916 493 HE2 TYR 71 HE2 TYR 71 -5.286 4.613 7.466 494 HH TYR 71 HH TYR 71 -7.050 4.627 4.542 495 H ALA 72 H ALA 72 -8.502 7.980 12.626 496 HA ALA 72 HA ALA 72 -9.507 10.742 12.844 497 HB1 ALA 72 1HB ALA 72 -10.546 10.071 15.005 498 HB2 ALA 72 2HB ALA 72 -11.262 9.294 13.592 499 HB3 ALA 72 3HB ALA 72 -10.148 8.396 14.623 500 H ALA 73 H ALA 73 -8.125 12.088 13.782 501 HA ALA 73 HA ALA 73 -5.944 10.959 15.402 502 HB1 ALA 73 1HB ALA 73 -4.525 12.476 14.525 503 HB2 ALA 73 2HB ALA 73 -5.713 12.519 13.222 504 HB3 ALA 73 3HB ALA 73 -5.742 13.752 14.483 505 H PHE 74 H PHE 74 -5.744 11.483 17.493 506 HA PHE 74 HA PHE 74 -7.416 13.673 18.537 507 HB2 PHE 74 2HB PHE 74 -8.452 11.634 19.242 508 HB3 PHE 74 3HB PHE 74 -6.906 10.946 19.728 509 HD1 PHE 74 HD2 PHE 74 -8.365 14.294 20.433 510 HD2 PHE 74 HD1 PHE 74 -7.077 10.551 21.998 511 HE1 PHE 74 HE2 PHE 74 -8.716 15.133 22.719 512 HE2 PHE 74 HE1 PHE 74 -7.427 11.384 24.287 513 HZ PHE 74 HZ PHE 74 -8.246 13.678 24.650 514 H ASP 75 H ASP 75 -6.359 15.188 19.636 515 HA ASP 75 HA ASP 75 -3.547 14.722 20.299 516 HB2 ASP 75 2HB ASP 75 -4.390 16.738 18.929 517 HB3 ASP 75 3HB ASP 75 -4.965 17.372 20.469 518 H PHE 76 H PHE 76 -2.923 14.365 22.318 519 HA PHE 76 HA PHE 76 -4.548 15.414 24.525 520 HB2 PHE 76 2HB PHE 76 -4.904 12.886 23.944 521 HB3 PHE 76 3HB PHE 76 -3.349 12.675 24.742 522 HD1 PHE 76 HD2 PHE 76 -6.545 14.505 25.362 523 HD2 PHE 76 HD1 PHE 76 -3.431 12.074 26.945 524 HE1 PHE 76 HE2 PHE 76 -7.675 14.487 27.547 525 HE2 PHE 76 HE1 PHE 76 -4.556 12.051 29.133 526 HZ PHE 76 HZ PHE 76 -6.680 13.260 29.437 527 H GLU 77 H GLU 77 -3.396 16.307 26.133 528 HA GLU 77 HA GLU 77 -0.506 16.375 25.853 529 HB2 GLU 77 2HB GLU 77 -0.647 18.082 27.679 530 HB3 GLU 77 3HB GLU 77 -1.559 18.492 26.233 531 HG2 GLU 77 2HG GLU 77 -3.559 18.338 27.277 532 HG3 GLU 77 3HG GLU 77 -3.019 17.060 28.365 533 H TYR 78 H TYR 78 0.963 15.774 27.453 534 HA TYR 78 HA TYR 78 -0.040 14.379 29.809 535 HB2 TYR 78 2HB TYR 78 0.492 12.885 27.608 536 HB3 TYR 78 3HB TYR 78 2.077 12.900 28.372 537 HD1 TYR 78 HD2 TYR 78 -1.471 12.537 29.515 538 HD2 TYR 78 HD1 TYR 78 2.514 11.052 29.666 539 HE1 TYR 78 HE2 TYR 78 -2.199 10.757 31.048 540 HE2 TYR 78 HE1 TYR 78 1.796 9.267 31.198 541 HH TYR 78 HH TYR 78 -1.606 8.830 32.045 542 H THR 79 H THR 79 1.982 13.512 31.082 543 HA THR 79 HA THR 79 4.037 15.625 31.020 544 HB THR 79 HB THR 79 2.647 15.922 32.982 545 HG1 THR 79 HG1 THR 79 4.354 15.502 34.603 546 HG21 THR 79 3HG2 THR 79 1.613 14.089 33.760 547 HG22 THR 79 1HG2 THR 79 3.102 13.795 34.658 548 HG23 THR 79 2HG2 THR 79 2.842 13.009 33.101 549 H THR 80 H THR 80 4.549 13.488 29.492 550 HA THR 80 HA THR 80 5.905 11.397 30.917 551 HB THR 80 HB THR 80 4.885 10.921 28.751 552 HG1 THR 80 HG1 THR 80 6.870 9.820 29.456 553 HG21 THR 80 3HG2 THR 80 7.004 12.687 27.528 554 HG22 THR 80 1HG2 THR 80 5.331 13.186 27.772 555 HG23 THR 80 2HG2 THR 80 5.701 11.840 26.695 556 H ASN 81 H ASN 81 6.874 14.281 29.114 557 HA ASN 81 HA ASN 81 9.684 13.763 29.445 558 HB2 ASN 81 2HB ASN 81 8.945 14.981 27.484 559 HB3 ASN 81 3HB ASN 81 8.190 16.214 28.490 560 HD21 ASN 81 1HD2 ASN 81 9.449 17.760 29.473 561 HD22 ASN 81 2HD2 ASN 81 11.113 18.002 29.077 562 H ASP 82 H ASP 82 7.237 15.722 31.031 563 HA ASP 82 HA ASP 82 8.502 15.798 33.498 564 HB2 ASP 82 2HB ASP 82 9.722 17.582 31.667 565 HB3 ASP 82 3HB ASP 82 8.803 18.565 32.804 566 H GLY 83 H GLY 83 6.551 17.710 31.242 567 HA2 GLY 83 2HA GLY 83 4.257 17.589 32.910 568 HA3 GLY 83 3HA GLY 83 5.030 19.160 33.056 569 HA PRO 84 HA PRO 84 2.975 20.588 29.463 570 HB2 PRO 84 2HB PRO 84 4.854 22.166 28.300 571 HB3 PRO 84 3HB PRO 84 4.011 22.613 29.788 572 HG2 PRO 84 2HG PRO 84 6.736 21.423 29.439 573 HG3 PRO 84 3HG PRO 84 6.215 22.729 30.520 574 HD2 PRO 84 2HD PRO 84 6.577 20.185 31.376 575 HD3 PRO 84 3HD PRO 84 5.356 21.265 32.079 576 H ARG 85 H ARG 85 3.156 18.237 28.689 577 HA ARG 85 HA ARG 85 4.775 18.160 26.227 578 HB2 ARG 85 2HB ARG 85 5.129 16.475 28.288 579 HB3 ARG 85 3HB ARG 85 3.855 15.612 27.438 580 HG2 ARG 85 2HG ARG 85 6.005 14.790 26.738 581 HG3 ARG 85 3HG ARG 85 5.231 15.638 25.398 582 HD2 ARG 85 2HD ARG 85 6.952 17.289 27.124 583 HD3 ARG 85 3HD ARG 85 7.784 16.048 26.189 584 HE ARG 85 HE ARG 85 6.034 17.432 24.493 585 HH11 ARG 85 1HH1 ARG 85 8.970 17.945 26.292 586 HH12 ARG 85 2HH1 ARG 85 9.579 19.150 25.206 587 HH21 ARG 85 1HH2 ARG 85 6.826 19.016 23.055 588 HH22 ARG 85 2HH2 ARG 85 8.359 19.759 23.366 589 H ASP 86 H ASP 86 3.833 17.240 24.378 590 HA ASP 86 HA ASP 86 0.938 16.747 24.517 591 HB2 ASP 86 2HB ASP 86 0.547 18.058 22.532 592 HB3 ASP 86 3HB ASP 86 1.401 19.063 23.700 593 H LYS 87 H LYS 87 0.229 15.043 23.364 594 HA LYS 87 HA LYS 87 1.977 13.878 21.322 595 HB2 LYS 87 2HB LYS 87 1.117 12.611 23.873 596 HB3 LYS 87 3HB LYS 87 1.122 11.601 22.433 597 HG2 LYS 87 2HG LYS 87 3.548 13.213 22.895 598 HG3 LYS 87 3HG LYS 87 3.242 11.907 24.042 599 HD2 LYS 87 2HD LYS 87 4.238 10.582 22.537 600 HD3 LYS 87 3HD LYS 87 2.735 10.714 21.621 601 HE2 LYS 87 2HE LYS 87 3.960 11.562 19.964 602 HE3 LYS 87 3HE LYS 87 4.129 13.011 20.955 603 HZ1 LYS 87 3HZ LYS 87 6.259 12.062 20.134 604 HZ2 LYS 87 1HZ LYS 87 5.983 10.699 21.098 605 HZ3 LYS 87 2HZ LYS 87 6.180 12.217 21.817 606 H LEU 88 H LEU 88 0.895 13.279 19.553 607 HA LEU 88 HA LEU 88 -2.040 13.162 19.714 608 HB2 LEU 88 2HB LEU 88 -0.538 14.767 18.155 609 HB3 LEU 88 3HB LEU 88 -0.730 13.384 17.081 610 HG LEU 88 HG LEU 88 -3.074 14.773 18.356 611 HD11 LEU 88 1HD1 LEU 88 -1.345 15.987 16.585 612 HD12 LEU 88 2HD1 LEU 88 -3.025 16.437 16.876 613 HD13 LEU 88 3HD1 LEU 88 -2.621 15.352 15.546 614 HD21 LEU 88 3HD2 LEU 88 -2.715 12.846 16.075 615 HD22 LEU 88 1HD2 LEU 88 -4.190 13.783 16.312 616 HD23 LEU 88 2HD2 LEU 88 -3.666 12.637 17.546 617 H ILE 89 H ILE 89 -3.134 11.404 18.992 618 HA ILE 89 HA ILE 89 -1.511 9.144 18.020 619 HB ILE 89 HB ILE 89 -4.133 8.951 19.501 620 HG12 ILE 89 2HG1 ILE 89 -2.349 7.952 21.245 621 HG13 ILE 89 3HG1 ILE 89 -1.328 9.152 20.460 622 HG21 ILE 89 1HG2 ILE 89 -3.739 7.032 18.132 623 HG22 ILE 89 2HG2 ILE 89 -2.071 6.912 18.687 624 HG23 ILE 89 3HG2 ILE 89 -3.397 6.584 19.802 625 HD11 ILE 89 3HD1 ILE 89 -2.337 10.841 21.499 626 HD12 ILE 89 1HD1 ILE 89 -3.946 10.180 21.210 627 HD13 ILE 89 2HD1 ILE 89 -2.989 9.607 22.577 628 H LEU 90 H LEU 90 -2.356 7.818 16.390 629 HA LEU 90 HA LEU 90 -4.657 8.943 14.932 630 HB2 LEU 90 2HB LEU 90 -2.232 9.183 13.978 631 HB3 LEU 90 3HB LEU 90 -2.460 7.496 13.522 632 HG LEU 90 HG LEU 90 -2.937 9.021 11.669 633 HD11 LEU 90 1HD1 LEU 90 -4.354 6.847 12.389 634 HD12 LEU 90 2HD1 LEU 90 -4.629 7.751 10.899 635 HD13 LEU 90 3HD1 LEU 90 -5.642 8.050 12.312 636 HD21 LEU 90 3HD2 LEU 90 -4.513 10.703 11.724 637 HD22 LEU 90 1HD2 LEU 90 -3.820 10.811 13.343 638 HD23 LEU 90 2HD2 LEU 90 -5.369 10.003 13.099 639 H ILE 91 H ILE 91 -6.304 7.583 14.820 640 HA ILE 91 HA ILE 91 -5.755 4.691 14.947 641 HB ILE 91 HB ILE 91 -8.253 6.161 15.795 642 HG12 ILE 91 2HG1 ILE 91 -6.764 4.562 17.759 643 HG13 ILE 91 3HG1 ILE 91 -5.881 5.961 17.160 644 HG21 ILE 91 1HG2 ILE 91 -7.859 3.454 15.038 645 HG22 ILE 91 2HG2 ILE 91 -8.143 3.503 16.777 646 HG23 ILE 91 3HG2 ILE 91 -9.316 4.219 15.671 647 HD11 ILE 91 3HD1 ILE 91 -7.909 7.335 17.738 648 HD12 ILE 91 1HD1 ILE 91 -8.526 5.911 18.575 649 HD13 ILE 91 2HD1 ILE 91 -7.017 6.658 19.100 650 H SER 92 H SER 92 -6.163 3.570 13.169 651 HA SER 92 HA SER 92 -7.859 4.771 11.098 652 HB2 SER 92 2HB SER 92 -5.475 4.034 10.591 653 HB3 SER 92 3HB SER 92 -6.046 2.376 10.778 654 HG SER 92 HG SER 92 -7.756 3.271 9.177 655 H TRP 93 H TRP 93 -9.665 3.789 10.328 656 HA TRP 93 HA TRP 93 -10.619 1.466 11.840 657 HB2 TRP 93 2HB TRP 93 -11.863 3.833 11.270 658 HB3 TRP 93 3HB TRP 93 -12.490 2.792 9.995 659 HD1 TRP 93 HD1 TRP 93 -13.116 0.149 11.330 660 HE1 TRP 93 HE1 TRP 93 -14.810 -0.070 13.255 661 HE3 TRP 93 HE3 TRP 93 -13.102 4.989 12.976 662 HZ2 TRP 93 HZ2 TRP 93 -15.985 1.590 15.213 663 HZ3 TRP 93 HZ3 TRP 93 -14.539 5.591 14.880 664 HH2 TRP 93 HH2 TRP 93 -15.951 3.925 15.974 665 H ASN 94 H ASN 94 -10.653 -0.478 10.935 666 HA ASN 94 HA ASN 94 -11.451 -0.987 8.278 667 HB2 ASN 94 2HB ASN 94 -9.181 -1.952 7.549 668 HB3 ASN 94 3HB ASN 94 -9.380 -0.204 7.484 669 HD21 ASN 94 1HD2 ASN 94 -8.340 1.086 9.021 670 HD22 ASN 94 2HD2 ASN 94 -7.004 0.495 9.944 671 HA PRO 95 HA PRO 95 -11.768 -4.529 11.186 672 HB2 PRO 95 2HB PRO 95 -14.237 -5.272 10.337 673 HB3 PRO 95 3HB PRO 95 -13.977 -4.019 11.557 674 HG2 PRO 95 2HG PRO 95 -14.537 -3.726 8.631 675 HG3 PRO 95 3HG PRO 95 -15.209 -2.814 9.996 676 HD2 PRO 95 2HD PRO 95 -13.213 -1.850 8.441 677 HD3 PRO 95 3HD PRO 95 -13.352 -1.459 10.168 678 H ASP 96 H ASP 96 -11.002 -6.487 10.692 679 HA ASP 96 HA ASP 96 -10.276 -7.245 8.106 680 HB2 ASP 96 2HB ASP 96 -9.696 -9.389 9.044 681 HB3 ASP 96 3HB ASP 96 -9.283 -8.141 10.216 682 H SER 97 H SER 97 -13.267 -7.590 9.795 683 HA SER 97 HA SER 97 -14.277 -9.505 7.821 684 HB2 SER 97 2HB SER 97 -15.159 -8.647 10.547 685 HB3 SER 97 3HB SER 97 -16.366 -9.280 9.428 686 HG SER 97 HG SER 97 -14.478 -10.603 10.843 687 H GLY 98 H GLY 98 -13.792 -6.426 7.651 688 HA2 GLY 98 2HA GLY 98 -16.440 -5.405 7.110 689 HA3 GLY 98 3HA GLY 98 -14.921 -4.556 6.864 690 H ALA 99 H ALA 99 -14.292 -4.235 4.835 691 HA ALA 99 HA ALA 99 -15.365 -6.011 2.744 692 HB1 ALA 99 1HB ALA 99 -16.537 -4.275 1.988 693 HB2 ALA 99 2HB ALA 99 -15.697 -3.146 3.051 694 HB3 ALA 99 3HB ALA 99 -14.995 -3.576 1.491 695 HA PRO 100 HA PRO 100 -11.285 -6.447 1.189 696 HB2 PRO 100 2HB PRO 100 -11.687 -6.476 -1.495 697 HB3 PRO 100 3HB PRO 100 -12.156 -7.814 -0.439 698 HG2 PRO 100 2HG PRO 100 -13.841 -5.614 -1.570 699 HG3 PRO 100 3HG PRO 100 -14.206 -7.343 -1.431 700 HD2 PRO 100 2HD PRO 100 -15.175 -5.506 0.306 701 HD3 PRO 100 3HD PRO 100 -14.791 -7.170 0.792 702 H ARG 101 H ARG 101 -13.108 -4.022 -0.691 703 HA ARG 101 HA ARG 101 -10.846 -2.605 -1.591 704 HB2 ARG 101 2HB ARG 101 -13.543 -2.510 -2.099 705 HB3 ARG 101 3HB ARG 101 -13.277 -1.005 -1.230 706 HG2 ARG 101 2HG ARG 101 -12.888 -0.279 -3.342 707 HG3 ARG 101 3HG ARG 101 -11.256 -0.808 -2.926 708 HD2 ARG 101 2HD ARG 101 -11.752 -1.672 -5.088 709 HD3 ARG 101 3HD ARG 101 -11.811 -3.023 -3.956 710 HE ARG 101 HE ARG 101 -14.388 -2.185 -4.084 711 HH11 ARG 101 1HH1 ARG 101 -12.024 -3.104 -6.470 712 HH12 ARG 101 2HH1 ARG 101 -13.199 -3.710 -7.590 713 HH21 ARG 101 1HH2 ARG 101 -15.944 -2.980 -5.551 714 HH22 ARG 101 2HH2 ARG 101 -15.428 -3.638 -7.067 715 H THR 102 H THR 102 -12.827 -2.331 1.295 716 HA THR 102 HA THR 102 -11.862 0.153 2.205 717 HB THR 102 HB THR 102 -12.784 -0.402 4.350 718 HG1 THR 102 HG1 THR 102 -12.317 -2.401 4.936 719 HG21 THR 102 3HG2 THR 102 -15.052 -1.176 3.721 720 HG22 THR 102 1HG2 THR 102 -14.435 -1.609 2.128 721 HG23 THR 102 2HG2 THR 102 -14.436 0.077 2.645 722 H LYS 103 H LYS 103 -10.810 -3.169 2.880 723 HA LYS 103 HA LYS 103 -8.744 -2.440 4.682 724 HB2 LYS 103 2HB LYS 103 -9.579 -4.903 3.255 725 HB3 LYS 103 3HB LYS 103 -7.906 -4.837 3.794 726 HG2 LYS 103 2HG LYS 103 -9.537 -3.957 5.936 727 HG3 LYS 103 3HG LYS 103 -10.235 -5.446 5.294 728 HD2 LYS 103 2HD LYS 103 -8.735 -6.384 6.715 729 HD3 LYS 103 3HD LYS 103 -7.659 -6.166 5.332 730 HE2 LYS 103 2HE LYS 103 -7.475 -3.746 6.585 731 HE3 LYS 103 3HE LYS 103 -7.665 -4.848 7.949 732 HZ1 LYS 103 3HZ LYS 103 -5.831 -6.189 6.889 733 HZ2 LYS 103 1HZ LYS 103 -5.372 -4.700 7.549 734 HZ3 LYS 103 2HZ LYS 103 -5.552 -4.864 5.875 735 H MET 104 H MET 104 -8.876 -2.915 1.200 736 HA MET 104 HA MET 104 -6.060 -2.808 0.785 737 HB2 MET 104 2HB MET 104 -8.487 -2.795 -0.917 738 HB3 MET 104 3HB MET 104 -7.039 -2.084 -1.617 739 HG2 MET 104 2HG MET 104 -5.933 -4.069 -1.708 740 HG3 MET 104 3HG MET 104 -6.790 -4.737 -0.320 741 HE1 MET 104 3HE MET 104 -7.585 -5.217 -4.679 742 HE2 MET 104 1HE MET 104 -6.274 -4.391 -3.836 743 HE3 MET 104 2HE MET 104 -6.418 -6.146 -3.738 744 H LEU 105 H LEU 105 -8.674 -0.424 0.463 745 HA LEU 105 HA LEU 105 -7.187 1.716 -0.490 746 HB2 LEU 105 2HB LEU 105 -9.755 1.332 0.829 747 HB3 LEU 105 3HB LEU 105 -9.021 2.891 1.198 748 HG LEU 105 HG LEU 105 -9.444 1.903 -1.615 749 HD11 LEU 105 1HD1 LEU 105 -11.251 3.977 -0.944 750 HD12 LEU 105 2HD1 LEU 105 -11.420 2.702 0.262 751 HD13 LEU 105 3HD1 LEU 105 -11.611 2.326 -1.450 752 HD21 LEU 105 3HD2 LEU 105 -8.861 4.609 -0.421 753 HD22 LEU 105 1HD2 LEU 105 -9.263 4.325 -2.115 754 HD23 LEU 105 2HD2 LEU 105 -7.789 3.638 -1.431 755 H TYR 106 H TYR 106 -7.408 0.396 2.728 756 HA TYR 106 HA TYR 106 -6.428 2.551 4.212 757 HB2 TYR 106 2HB TYR 106 -7.355 0.681 5.372 758 HB3 TYR 106 3HB TYR 106 -6.205 -0.430 4.637 759 HD1 TYR 106 HD1 TYR 106 -5.962 2.782 6.548 760 HD2 TYR 106 HD2 TYR 106 -4.658 -1.246 6.129 761 HE1 TYR 106 HE1 TYR 106 -4.460 3.074 8.474 762 HE2 TYR 106 HE2 TYR 106 -3.154 -0.965 8.054 763 HH TYR 106 HH TYR 106 -2.327 0.449 9.553 764 H SER 107 H SER 107 -4.717 -0.041 2.513 765 HA SER 107 HA SER 107 -2.122 0.841 3.338 766 HB2 SER 107 2HB SER 107 -2.064 -1.404 2.811 767 HB3 SER 107 3HB SER 107 -3.185 -1.226 1.462 768 HG SER 107 HG SER 107 -0.447 -1.040 1.512 769 H SER 108 H SER 108 -4.182 1.360 0.542 770 HA SER 108 HA SER 108 -2.231 2.581 -1.108 771 HB2 SER 108 2HB SER 108 -4.431 1.656 -1.895 772 HB3 SER 108 3HB SER 108 -5.219 3.055 -1.167 773 HG SER 108 HG SER 108 -3.548 4.238 -2.552 774 H SER 109 H SER 109 -4.161 3.718 1.531 775 HA SER 109 HA SER 109 -3.477 6.507 0.941 776 HB2 SER 109 2HB SER 109 -5.838 5.491 1.760 777 HB3 SER 109 3HB SER 109 -5.113 5.852 3.327 778 HG SER 109 HG SER 109 -6.175 7.678 2.665 779 H ARG 110 H ARG 110 -2.735 3.888 3.073 780 HA ARG 110 HA ARG 110 -1.704 5.246 5.278 781 HB2 ARG 110 2HB ARG 110 -1.622 2.562 4.217 782 HB3 ARG 110 3HB ARG 110 -0.057 3.005 4.886 783 HG2 ARG 110 2HG ARG 110 -1.757 3.881 6.827 784 HG3 ARG 110 3HG ARG 110 -2.589 2.443 6.231 785 HD2 ARG 110 2HD ARG 110 -1.010 1.041 7.028 786 HD3 ARG 110 3HD ARG 110 0.309 2.149 6.653 787 HE ARG 110 HE ARG 110 -1.344 2.981 8.860 788 HH11 ARG 110 1HH1 ARG 110 1.433 1.125 7.880 789 HH12 ARG 110 2HH1 ARG 110 2.183 1.180 9.440 790 HH21 ARG 110 1HH2 ARG 110 -0.366 3.061 10.919 791 HH22 ARG 110 2HH2 ARG 110 1.159 2.280 11.169 792 H ASP 111 H ASP 111 -0.209 4.434 2.188 793 HA ASP 111 HA ASP 111 2.426 5.158 2.808 794 HB2 ASP 111 2HB ASP 111 1.183 4.122 0.613 795 HB3 ASP 111 3HB ASP 111 1.538 5.757 0.062 796 H ALA 112 H ALA 112 -0.273 7.073 1.551 797 HA ALA 112 HA ALA 112 1.293 9.480 1.374 798 HB1 ALA 112 1HB ALA 112 -0.581 10.487 0.467 799 HB2 ALA 112 2HB ALA 112 -0.792 8.801 -0.010 800 HB3 ALA 112 3HB ALA 112 -1.697 9.451 1.358 801 H LEU 113 H LEU 113 -0.588 7.895 3.790 802 HA LEU 113 HA LEU 113 -0.986 10.270 5.392 803 HB2 LEU 113 2HB LEU 113 -1.799 7.447 5.493 804 HB3 LEU 113 3HB LEU 113 -1.526 8.201 7.063 805 HG LEU 113 HG LEU 113 -3.303 9.534 5.060 806 HD11 LEU 113 1HD1 LEU 113 -4.736 7.894 6.967 807 HD12 LEU 113 2HD1 LEU 113 -3.754 6.926 5.868 808 HD13 LEU 113 3HD1 LEU 113 -4.950 8.050 5.224 809 HD21 LEU 113 3HD2 LEU 113 -3.186 10.958 6.807 810 HD22 LEU 113 1HD2 LEU 113 -2.712 9.696 7.944 811 HD23 LEU 113 2HD2 LEU 113 -4.406 9.882 7.490 812 H VAL 114 H VAL 114 1.396 7.819 5.024 813 HA VAL 114 HA VAL 114 2.554 7.712 7.548 814 HB VAL 114 HB VAL 114 3.572 7.285 4.785 815 HG11 VAL 114 1HG1 VAL 114 5.827 6.718 5.827 816 HG12 VAL 114 2HG1 VAL 114 5.458 8.428 5.598 817 HG13 VAL 114 3HG1 VAL 114 5.313 7.700 7.198 818 HG21 VAL 114 3HG2 VAL 114 3.362 5.134 5.343 819 HG22 VAL 114 1HG2 VAL 114 4.246 5.361 6.853 820 HG23 VAL 114 2HG2 VAL 114 2.515 5.696 6.785 821 HA PRO 115 HA PRO 115 5.363 11.439 6.261 822 HB2 PRO 115 2HB PRO 115 4.592 12.863 4.082 823 HB3 PRO 115 3HB PRO 115 5.680 11.474 3.985 824 HG2 PRO 115 2HG PRO 115 2.739 11.618 3.446 825 HG3 PRO 115 3HG PRO 115 4.004 10.779 2.530 826 HD2 PRO 115 2HD PRO 115 2.362 9.495 4.258 827 HD3 PRO 115 3HD PRO 115 4.040 8.987 3.979 828 H LEU 116 H LEU 116 1.909 11.750 5.573 829 HA LEU 116 HA LEU 116 1.650 14.447 6.380 830 HB2 LEU 116 2HB LEU 116 -0.097 12.259 5.610 831 HB3 LEU 116 3HB LEU 116 -0.799 13.259 6.880 832 HG LEU 116 HG LEU 116 -1.522 13.968 4.654 833 HD11 LEU 116 1HD1 LEU 116 -1.690 15.903 5.738 834 HD12 LEU 116 2HD1 LEU 116 -0.165 16.354 4.978 835 HD13 LEU 116 3HD1 LEU 116 -0.169 15.646 6.593 836 HD21 LEU 116 3HD2 LEU 116 1.242 14.917 4.043 837 HD22 LEU 116 1HD2 LEU 116 -0.107 14.602 2.952 838 HD23 LEU 116 2HD2 LEU 116 0.784 13.256 3.663 839 H THR 117 H THR 117 1.063 11.388 8.090 840 HA THR 117 HA THR 117 0.706 12.855 10.595 841 HB THR 117 HB THR 117 0.012 10.710 11.558 842 HG1 THR 117 HG1 THR 117 -0.103 8.874 10.213 843 HG21 THR 117 3HG2 THR 117 -1.461 10.880 8.962 844 HG22 THR 117 1HG2 THR 117 -1.507 12.243 10.079 845 HG23 THR 117 2HG2 THR 117 -2.089 10.660 10.595 846 H GLN 118 H GLN 118 3.149 13.346 10.147 847 HA GLN 118 HA GLN 118 4.945 11.224 10.945 848 HB2 GLN 118 2HB GLN 118 5.383 13.191 9.276 849 HB3 GLN 118 3HB GLN 118 5.757 14.100 10.734 850 HG2 GLN 118 2HG GLN 118 7.226 11.867 11.141 851 HG3 GLN 118 3HG GLN 118 7.273 11.985 9.382 852 HE21 GLN 118 1HE2 GLN 118 8.477 13.174 12.321 853 HE22 GLN 118 2HE2 GLN 118 9.464 14.440 11.683 854 H GLY 119 H GLY 119 5.443 10.746 12.977 855 HA2 GLY 119 2HA GLY 119 6.166 11.235 15.165 856 HA3 GLY 119 3HA GLY 119 5.544 12.868 14.982 857 H PHE 120 H PHE 120 3.458 10.331 14.001 858 HA PHE 120 HA PHE 120 2.021 10.461 16.565 859 HB2 PHE 120 2HB PHE 120 0.643 10.430 13.880 860 HB3 PHE 120 3HB PHE 120 -0.082 10.705 15.461 861 HD1 PHE 120 HD2 PHE 120 1.719 12.663 16.652 862 HD2 PHE 120 HD1 PHE 120 0.270 12.355 12.662 863 HE1 PHE 120 HE2 PHE 120 2.010 15.089 16.363 864 HE2 PHE 120 HE1 PHE 120 0.559 14.780 12.366 865 HZ PHE 120 HZ PHE 120 1.429 16.151 14.218 866 H GLN 121 H GLN 121 1.399 8.551 17.366 867 HA GLN 121 HA GLN 121 2.236 6.139 16.134 868 HB2 GLN 121 2HB GLN 121 0.562 6.748 18.559 869 HB3 GLN 121 3HB GLN 121 0.854 5.096 18.031 870 HG2 GLN 121 2HG GLN 121 3.111 6.999 18.534 871 HG3 GLN 121 3HG GLN 121 2.371 6.072 19.838 872 HE21 GLN 121 1HE2 GLN 121 4.556 6.041 17.234 873 HE22 GLN 121 2HE2 GLN 121 5.012 4.378 17.327 874 H GLY 122 H GLY 122 1.282 5.504 14.290 875 HA2 GLY 122 2HA GLY 122 -1.633 5.708 14.046 876 HA3 GLY 122 3HA GLY 122 -0.507 5.386 12.736 877 H ILE 123 H ILE 123 -2.840 4.038 14.619 878 HA ILE 123 HA ILE 123 -1.847 1.329 14.044 879 HB ILE 123 HB ILE 123 -3.394 2.067 16.529 880 HG12 ILE 123 2HG1 ILE 123 -0.876 1.084 17.248 881 HG13 ILE 123 3HG1 ILE 123 -0.557 2.217 15.939 882 HG21 ILE 123 1HG2 ILE 123 -3.897 -0.149 16.103 883 HG22 ILE 123 2HG2 ILE 123 -2.309 -0.484 15.414 884 HG23 ILE 123 3HG2 ILE 123 -2.489 -0.283 17.157 885 HD11 ILE 123 3HD1 ILE 123 -2.053 3.833 17.260 886 HD12 ILE 123 1HD1 ILE 123 -1.797 2.728 18.610 887 HD13 ILE 123 2HD1 ILE 123 -0.419 3.522 17.846 888 H GLN 124 H GLN 124 -3.311 -0.075 13.206 889 HA GLN 124 HA GLN 124 -5.935 1.034 12.534 890 HB2 GLN 124 2HB GLN 124 -6.030 -0.900 10.931 891 HB3 GLN 124 3HB GLN 124 -4.739 0.253 10.624 892 HG2 GLN 124 2HG GLN 124 -3.204 -1.328 10.790 893 HG3 GLN 124 3HG GLN 124 -3.811 -1.824 12.369 894 HE21 GLN 124 1HE2 GLN 124 -3.177 -2.886 9.356 895 HE22 GLN 124 2HE2 GLN 124 -4.277 -4.215 9.265 896 H ALA 125 H ALA 125 -7.604 0.502 13.761 897 HA ALA 125 HA ALA 125 -7.932 -2.252 14.646 898 HB1 ALA 125 1HB ALA 125 -7.579 0.068 16.497 899 HB2 ALA 125 2HB ALA 125 -8.600 -1.292 16.964 900 HB3 ALA 125 3HB ALA 125 -6.897 -1.555 16.592 901 H ASN 126 H ASN 126 -9.978 -2.884 14.401 902 HA ASN 126 HA ASN 126 -12.000 -0.842 13.843 903 HB2 ASN 126 2HB ASN 126 -13.184 -2.463 12.634 904 HB3 ASN 126 3HB ASN 126 -11.500 -2.845 12.289 905 HD21 ASN 126 1HD2 ASN 126 -10.527 -4.609 13.416 906 HD22 ASN 126 2HD2 ASN 126 -11.503 -5.908 14.003 907 H ASP 127 H ASP 127 -14.189 -1.154 14.687 908 HA ASP 127 HA ASP 127 -15.677 -1.400 16.390 909 HB2 ASP 127 2HB ASP 127 -14.630 -3.891 16.028 910 HB3 ASP 127 3HB ASP 127 -14.258 -3.611 17.727 911 H ALA 128 H ALA 128 -15.353 -2.183 19.048 912 HA ALA 128 HA ALA 128 -14.481 0.133 20.276 913 HB1 ALA 128 1HB ALA 128 -15.798 -1.100 21.670 914 HB2 ALA 128 2HB ALA 128 -15.038 -2.627 21.221 915 HB3 ALA 128 3HB ALA 128 -14.214 -1.522 22.321 916 H SER 129 H SER 129 -12.642 -2.607 19.210 917 HA SER 129 HA SER 129 -10.357 -2.339 20.802 918 HB2 SER 129 2HB SER 129 -11.094 -3.733 18.354 919 HB3 SER 129 3HB SER 129 -9.417 -3.187 18.324 920 HG SER 129 HG SER 129 -9.371 -5.137 19.318 921 H GLY 130 H GLY 130 -11.519 -0.441 18.156 922 HA2 GLY 130 2HA GLY 130 -8.929 0.863 17.778 923 HA3 GLY 130 3HA GLY 130 -10.373 1.121 16.809 924 H LEU 131 H LEU 131 -11.944 1.384 19.388 925 HA LEU 131 HA LEU 131 -11.243 4.198 19.868 926 HB2 LEU 131 2HB LEU 131 -13.856 2.964 20.635 927 HB3 LEU 131 3HB LEU 131 -13.484 4.650 20.280 928 HG LEU 131 HG LEU 131 -13.723 2.406 18.277 929 HD11 LEU 131 1HD1 LEU 131 -15.735 3.757 19.493 930 HD12 LEU 131 2HD1 LEU 131 -15.823 3.077 17.868 931 HD13 LEU 131 3HD1 LEU 131 -15.432 4.783 18.091 932 HD21 LEU 131 3HD2 LEU 131 -12.482 3.650 16.921 933 HD22 LEU 131 1HD2 LEU 131 -12.359 4.928 18.130 934 HD23 LEU 131 2HD2 LEU 131 -13.719 4.905 17.008 935 H ASP 132 H ASP 132 -10.091 1.777 21.191 936 HA ASP 132 HA ASP 132 -11.099 1.778 23.879 937 HB2 ASP 132 2HB ASP 132 -9.028 0.348 22.360 938 HB3 ASP 132 3HB ASP 132 -8.616 0.633 24.048 939 H PHE 133 H PHE 133 -10.952 3.769 24.807 940 HA PHE 133 HA PHE 133 -8.947 5.644 24.547 941 HB2 PHE 133 2HB PHE 133 -10.820 5.021 26.819 942 HB3 PHE 133 3HB PHE 133 -9.662 6.343 26.925 943 HD1 PHE 133 HD2 PHE 133 -9.672 7.740 24.530 944 HD2 PHE 133 HD1 PHE 133 -12.943 5.715 26.351 945 HE1 PHE 133 HE2 PHE 133 -11.243 9.211 23.336 946 HE2 PHE 133 HE1 PHE 133 -14.519 7.182 25.160 947 HZ PHE 133 HZ PHE 133 -13.670 8.933 23.651 948 H GLU 134 H GLU 134 -9.105 2.863 26.707 949 HA GLU 134 HA GLU 134 -6.872 3.465 28.296 950 HB2 GLU 134 2HB GLU 134 -8.055 0.796 27.518 951 HB3 GLU 134 3HB GLU 134 -6.815 1.003 28.746 952 HG2 GLU 134 2HG GLU 134 -8.741 2.787 29.533 953 HG3 GLU 134 3HG GLU 134 -9.687 1.444 28.891 954 H GLU 135 H GLU 135 -7.163 1.875 25.172 955 HA GLU 135 HA GLU 135 -4.481 0.963 25.023 956 HB2 GLU 135 2HB GLU 135 -6.680 0.443 23.576 957 HB3 GLU 135 3HB GLU 135 -5.930 1.631 22.519 958 HG2 GLU 135 2HG GLU 135 -4.793 -0.069 21.661 959 HG3 GLU 135 3HG GLU 135 -3.839 -0.033 23.143 960 H ILE 136 H ILE 136 -6.099 3.932 24.046 961 HA ILE 136 HA ILE 136 -3.924 5.025 22.592 962 HB ILE 136 HB ILE 136 -6.211 6.449 23.957 963 HG12 ILE 136 2HG1 ILE 136 -5.907 5.718 21.041 964 HG13 ILE 136 3HG1 ILE 136 -6.797 4.732 22.197 965 HG21 ILE 136 1HG2 ILE 136 -5.703 8.293 22.414 966 HG22 ILE 136 2HG2 ILE 136 -4.368 7.963 23.517 967 HG23 ILE 136 3HG2 ILE 136 -4.287 7.411 21.844 968 HD11 ILE 136 3HD1 ILE 136 -8.282 6.146 20.895 969 HD12 ILE 136 1HD1 ILE 136 -8.326 6.580 22.603 970 HD13 ILE 136 2HD1 ILE 136 -7.427 7.580 21.462 971 H SER 137 H SER 137 -5.060 5.487 25.927 972 HA SER 137 HA SER 137 -3.071 7.352 26.661 973 HB2 SER 137 2HB SER 137 -4.091 7.350 28.690 974 HB3 SER 137 3HB SER 137 -5.336 6.428 27.848 975 HG SER 137 HG SER 137 -3.740 5.658 29.864 976 H ARG 138 H ARG 138 -3.217 3.836 26.782 977 HA ARG 138 HA ARG 138 -0.833 3.480 28.284 978 HB2 ARG 138 2HB ARG 138 -2.686 1.782 27.952 979 HB3 ARG 138 3HB ARG 138 -2.034 1.508 26.342 980 HG2 ARG 138 2HG ARG 138 -0.106 1.324 28.564 981 HG3 ARG 138 3HG ARG 138 -1.343 0.067 28.493 982 HD2 ARG 138 2HD ARG 138 -0.367 0.467 25.864 983 HD3 ARG 138 3HD ARG 138 1.026 0.333 26.936 984 HE ARG 138 HE ARG 138 -0.699 -1.766 26.136 985 HH11 ARG 138 1HH1 ARG 138 1.122 -0.588 28.859 986 HH12 ARG 138 2HH1 ARG 138 1.332 -2.157 29.563 987 HH21 ARG 138 1HH2 ARG 138 -0.430 -3.837 27.053 988 HH22 ARG 138 2HH2 ARG 138 0.450 -4.005 28.535 989 H LYS 139 H LYS 139 -1.550 3.675 24.841 990 HA LYS 139 HA LYS 139 1.016 2.897 23.925 991 HB2 LYS 139 2HB LYS 139 -1.257 4.416 22.666 992 HB3 LYS 139 3HB LYS 139 0.255 4.144 21.809 993 HG2 LYS 139 2HG LYS 139 -1.265 1.860 23.004 994 HG3 LYS 139 3HG LYS 139 -1.696 2.519 21.424 995 HD2 LYS 139 2HD LYS 139 0.985 2.248 21.148 996 HD3 LYS 139 3HD LYS 139 0.629 0.905 22.236 997 HE2 LYS 139 2HE LYS 139 -1.377 0.725 20.370 998 HE3 LYS 139 3HE LYS 139 0.002 1.249 19.405 999 HZ1 LYS 139 3HZ LYS 139 1.271 -0.611 20.229 1000 HZ2 LYS 139 1HZ LYS 139 -0.172 -1.172 19.546 1001 HZ3 LYS 139 2HZ LYS 139 -0.006 -1.096 21.227 1002 H VAL 140 H VAL 140 -0.484 6.087 24.400 1003 HA VAL 140 HA VAL 140 1.806 7.570 23.628 1004 HB VAL 140 HB VAL 140 -0.417 8.576 23.612 1005 HG11 VAL 140 1HG1 VAL 140 -0.346 8.653 26.613 1006 HG12 VAL 140 2HG1 VAL 140 -1.696 9.005 25.533 1007 HG13 VAL 140 3HG1 VAL 140 -1.131 7.345 25.729 1008 HG21 VAL 140 3HG2 VAL 140 1.640 9.970 23.902 1009 HG22 VAL 140 1HG2 VAL 140 0.160 10.713 24.509 1010 HG23 VAL 140 2HG2 VAL 140 1.311 9.992 25.635 1011 H LYS 141 H LYS 141 0.619 6.374 26.723 1012 HA LYS 141 HA LYS 141 2.448 7.766 28.365 1013 HB2 LYS 141 2HB LYS 141 0.435 6.763 29.286 1014 HB3 LYS 141 3HB LYS 141 0.988 5.159 28.824 1015 HG2 LYS 141 2HG LYS 141 2.956 5.523 30.355 1016 HG3 LYS 141 3HG LYS 141 2.121 6.963 30.942 1017 HD2 LYS 141 2HD LYS 141 0.798 4.265 30.909 1018 HD3 LYS 141 3HD LYS 141 1.808 4.790 32.258 1019 HE2 LYS 141 2HE LYS 141 0.251 6.218 33.024 1020 HE3 LYS 141 3HE LYS 141 -0.196 6.752 31.405 1021 HZ1 LYS 141 3HZ LYS 141 -1.794 5.174 31.223 1022 HZ2 LYS 141 1HZ LYS 141 -1.816 5.338 32.907 1023 HZ3 LYS 141 2HZ LYS 141 -0.981 4.052 32.194 1024 H SER 142 H SER 142 2.637 4.741 26.606 1025 HA SER 142 HA SER 142 5.151 3.992 27.829 1026 HB2 SER 142 2HB SER 142 3.290 2.405 26.945 1027 HB3 SER 142 3HB SER 142 4.011 2.703 25.363 1028 HG SER 142 HG SER 142 5.041 0.938 26.173 1029 H ASN 143 H ASN 143 4.018 5.460 24.854 1030 HA ASN 143 HA ASN 143 5.100 6.540 23.171 1031 HB2 ASN 143 2HB ASN 143 7.543 6.502 24.949 1032 HB3 ASN 143 3HB ASN 143 7.183 7.632 23.646 1033 HD21 ASN 143 1HD2 ASN 143 6.014 9.409 24.068 1034 HD22 ASN 143 2HD2 ASN 143 5.346 9.799 25.613 1035 H ARG 144 H ARG 144 4.857 4.006 22.603 1036 HA ARG 144 HA ARG 144 7.435 3.287 21.396 1037 HB2 ARG 144 2HB ARG 144 6.923 1.909 23.468 1038 HB3 ARG 144 3HB ARG 144 5.566 1.235 22.575 1039 HG2 ARG 144 2HG ARG 144 6.907 0.031 21.167 1040 HG3 ARG 144 3HG ARG 144 8.269 1.141 21.339 1041 HD2 ARG 144 2HD ARG 144 7.281 -0.676 23.531 1042 HD3 ARG 144 3HD ARG 144 8.592 -1.087 22.427 1043 HE ARG 144 HE ARG 144 8.756 0.598 24.707 1044 HH11 ARG 144 1HH1 ARG 144 9.993 0.172 21.481 1045 HH12 ARG 144 2HH1 ARG 144 11.492 0.976 21.809 1046 HH21 ARG 144 1HH2 ARG 144 10.726 1.659 25.152 1047 HH22 ARG 144 2HH2 ARG 144 11.908 1.821 23.898 Start of MODEL 2 1 H MET 9 H MET 9 2.150 -3.729 -5.779 2 HA MET 9 HA MET 9 0.327 -2.586 -6.596 3 HB2 MET 9 2HB MET 9 -0.725 -5.142 -6.309 4 HB3 MET 9 3HB MET 9 -1.811 -4.131 -5.364 5 HG2 MET 9 2HG MET 9 -2.851 -3.674 -7.263 6 HG3 MET 9 3HG MET 9 -1.449 -2.697 -7.692 7 HE1 MET 9 3HE MET 9 -0.113 -2.870 -9.281 8 HE2 MET 9 1HE MET 9 0.445 -4.280 -10.181 9 HE3 MET 9 2HE MET 9 -0.990 -3.405 -10.715 10 H ALA 10 H ALA 10 0.191 -0.718 -5.550 11 HA ALA 10 HA ALA 10 -1.241 -0.606 -3.016 12 HB1 ALA 10 1HB ALA 10 1.618 0.242 -3.356 13 HB2 ALA 10 2HB ALA 10 0.583 0.940 -2.110 14 HB3 ALA 10 3HB ALA 10 0.911 -0.793 -2.115 15 H MET 11 H MET 11 0.800 1.563 -4.988 16 HA MET 11 HA MET 11 -0.688 3.868 -4.625 17 HB2 MET 11 2HB MET 11 1.066 2.960 -6.898 18 HB3 MET 11 3HB MET 11 0.302 4.544 -6.896 19 HG2 MET 11 2HG MET 11 1.755 3.876 -4.439 20 HG3 MET 11 3HG MET 11 2.753 4.005 -5.886 21 HE1 MET 11 3HE MET 11 3.974 6.741 -4.646 22 HE2 MET 11 1HE MET 11 2.786 7.109 -3.395 23 HE3 MET 11 2HE MET 11 3.340 5.451 -3.623 24 H SER 12 H SER 12 -2.319 4.896 -5.780 25 HA SER 12 HA SER 12 -3.565 3.642 -8.049 26 HB2 SER 12 2HB SER 12 -4.416 2.725 -5.588 27 HB3 SER 12 3HB SER 12 -5.595 3.981 -5.967 28 HG SER 12 HG SER 12 -6.389 2.206 -6.937 29 H GLY 13 H GLY 13 -4.442 5.845 -5.375 30 HA2 GLY 13 2HA GLY 13 -4.270 8.201 -6.891 31 HA3 GLY 13 3HA GLY 13 -5.928 7.623 -6.967 32 H VAL 14 H VAL 14 -5.843 6.482 -4.273 33 HA VAL 14 HA VAL 14 -6.922 8.546 -2.802 34 HB VAL 14 HB VAL 14 -7.234 6.260 -2.109 35 HG11 VAL 14 1HG1 VAL 14 -4.746 5.724 -0.794 36 HG12 VAL 14 2HG1 VAL 14 -5.581 4.779 -2.029 37 HG13 VAL 14 3HG1 VAL 14 -4.458 6.056 -2.502 38 HG21 VAL 14 3HG2 VAL 14 -6.820 6.466 0.293 39 HG22 VAL 14 1HG2 VAL 14 -5.710 7.802 -0.011 40 HG23 VAL 14 2HG2 VAL 14 -7.425 7.978 -0.383 41 H SER 15 H SER 15 -6.089 10.344 -1.992 42 HA SER 15 HA SER 15 -3.421 10.310 -0.813 43 HB2 SER 15 2HB SER 15 -3.885 11.365 -3.392 44 HB3 SER 15 3HB SER 15 -3.697 12.750 -2.316 45 HG SER 15 HG SER 15 -1.653 12.289 -2.764 46 H VAL 16 H VAL 16 -3.030 12.041 0.647 47 HA VAL 16 HA VAL 16 -5.369 12.895 2.047 48 HB VAL 16 HB VAL 16 -3.366 12.376 3.299 49 HG11 VAL 16 1HG1 VAL 16 -1.324 13.009 2.686 50 HG12 VAL 16 2HG1 VAL 16 -2.046 13.736 1.249 51 HG13 VAL 16 3HG1 VAL 16 -1.787 14.710 2.697 52 HG21 VAL 16 3HG2 VAL 16 -4.868 14.016 4.271 53 HG22 VAL 16 1HG2 VAL 16 -3.197 14.407 4.678 54 HG23 VAL 16 2HG2 VAL 16 -4.035 15.317 3.420 55 H ALA 17 H ALA 17 -6.546 14.649 1.686 56 HA ALA 17 HA ALA 17 -5.728 16.611 -0.248 57 HB1 ALA 17 1HB ALA 17 -8.179 16.490 1.506 58 HB2 ALA 17 2HB ALA 17 -7.925 17.623 0.178 59 HB3 ALA 17 3HB ALA 17 -8.045 15.894 -0.149 60 H ASP 18 H ASP 18 -5.795 18.942 0.186 61 HA ASP 18 HA ASP 18 -4.025 19.720 2.179 62 HB2 ASP 18 2HB ASP 18 -6.064 21.318 0.627 63 HB3 ASP 18 3HB ASP 18 -4.885 22.057 1.708 64 H GLU 19 H GLU 19 -7.533 19.548 2.216 65 HA GLU 19 HA GLU 19 -8.055 21.020 4.524 66 HB2 GLU 19 2HB GLU 19 -10.116 19.619 4.705 67 HB3 GLU 19 3HB GLU 19 -9.866 20.323 3.114 68 HG2 GLU 19 2HG GLU 19 -8.861 18.137 2.412 69 HG3 GLU 19 3HG GLU 19 -9.402 17.476 3.953 70 H CYS 20 H CYS 20 -7.276 17.579 4.153 71 HA CYS 20 HA CYS 20 -7.528 16.890 6.871 72 HB2 CYS 20 2HB CYS 20 -6.097 15.666 4.533 73 HB3 CYS 20 3HB CYS 20 -5.888 14.999 6.148 74 HG CYS 20 HG CYS 20 -7.929 13.468 5.976 75 H VAL 21 H VAL 21 -4.738 17.931 4.950 76 HA VAL 21 HA VAL 21 -2.763 17.619 6.899 77 HB VAL 21 HB VAL 21 -2.821 19.798 4.811 78 HG11 VAL 21 1HG1 VAL 21 -0.360 19.510 4.888 79 HG12 VAL 21 2HG1 VAL 21 -1.043 20.078 6.413 80 HG13 VAL 21 3HG1 VAL 21 -0.566 18.389 6.234 81 HG21 VAL 21 3HG2 VAL 21 -3.098 18.035 3.409 82 HG22 VAL 21 1HG2 VAL 21 -1.358 17.881 3.654 83 HG23 VAL 21 2HG2 VAL 21 -2.471 16.868 4.573 84 H THR 22 H THR 22 -4.849 20.394 6.180 85 HA THR 22 HA THR 22 -3.712 22.138 8.091 86 HB THR 22 HB THR 22 -6.569 22.243 7.126 87 HG1 THR 22 HG1 THR 22 -5.632 22.357 5.214 88 HG21 THR 22 3HG2 THR 22 -5.764 24.784 7.221 89 HG22 THR 22 1HG2 THR 22 -4.684 24.119 8.446 90 HG23 THR 22 2HG2 THR 22 -6.430 23.955 8.628 91 H ALA 23 H ALA 23 -6.490 19.941 8.213 92 HA ALA 23 HA ALA 23 -7.458 20.633 10.735 93 HB1 ALA 23 1HB ALA 23 -7.499 17.862 9.555 94 HB2 ALA 23 2HB ALA 23 -8.629 18.554 10.720 95 HB3 ALA 23 3HB ALA 23 -8.591 19.157 9.063 96 H LEU 24 H LEU 24 -5.064 18.166 9.828 97 HA LEU 24 HA LEU 24 -4.594 17.258 12.468 98 HB2 LEU 24 2HB LEU 24 -2.819 17.123 10.035 99 HB3 LEU 24 3HB LEU 24 -2.577 16.215 11.525 100 HG LEU 24 HG LEU 24 -4.977 15.916 9.722 101 HD11 LEU 24 1HD1 LEU 24 -2.998 15.198 8.538 102 HD12 LEU 24 2HD1 LEU 24 -3.934 13.791 9.040 103 HD13 LEU 24 3HD1 LEU 24 -2.477 14.243 9.926 104 HD21 LEU 24 3HD2 LEU 24 -4.409 13.662 11.369 105 HD22 LEU 24 1HD2 LEU 24 -5.843 14.690 11.353 106 HD23 LEU 24 2HD2 LEU 24 -4.473 15.104 12.383 107 H ASN 25 H ASN 25 -3.053 19.707 10.445 108 HA ASN 25 HA ASN 25 -0.840 20.266 12.049 109 HB2 ASN 25 2HB ASN 25 -2.352 21.699 9.942 110 HB3 ASN 25 3HB ASN 25 -1.355 22.699 10.994 111 HD21 ASN 25 1HD2 ASN 25 -0.420 22.975 8.723 112 HD22 ASN 25 2HD2 ASN 25 0.899 21.933 8.323 113 H ASP 26 H ASP 26 -4.100 21.668 12.102 114 HA ASP 26 HA ASP 26 -3.551 23.448 14.259 115 HB2 ASP 26 2HB ASP 26 -6.164 22.435 13.122 116 HB3 ASP 26 3HB ASP 26 -6.039 23.697 14.345 117 H LEU 27 H LEU 27 -4.875 20.197 14.012 118 HA LEU 27 HA LEU 27 -5.849 19.911 16.613 119 HB2 LEU 27 2HB LEU 27 -5.971 18.351 14.521 120 HB3 LEU 27 3HB LEU 27 -4.513 17.638 15.208 121 HG LEU 27 HG LEU 27 -5.926 17.357 17.349 122 HD11 LEU 27 1HD1 LEU 27 -8.362 16.941 15.962 123 HD12 LEU 27 2HD1 LEU 27 -7.831 18.593 15.647 124 HD13 LEU 27 3HD1 LEU 27 -8.033 18.033 17.307 125 HD21 LEU 27 3HD2 LEU 27 -5.304 15.701 15.277 126 HD22 LEU 27 1HD2 LEU 27 -7.061 15.558 15.336 127 HD23 LEU 27 2HD2 LEU 27 -6.099 15.198 16.770 128 H ARG 28 H ARG 28 -2.609 19.342 15.301 129 HA ARG 28 HA ARG 28 -1.465 18.288 17.646 130 HB2 ARG 28 2HB ARG 28 0.534 18.344 16.521 131 HB3 ARG 28 3HB ARG 28 -0.578 18.454 15.163 132 HG2 ARG 28 2HG ARG 28 -0.288 21.052 15.640 133 HG3 ARG 28 3HG ARG 28 1.252 20.486 16.291 134 HD2 ARG 28 2HD ARG 28 0.577 19.286 13.721 135 HD3 ARG 28 3HD ARG 28 0.718 21.042 13.650 136 HE ARG 28 HE ARG 28 2.840 19.159 13.991 137 HH11 ARG 28 1HH1 ARG 28 1.799 22.397 14.733 138 HH12 ARG 28 2HH1 ARG 28 3.408 23.017 14.899 139 HH21 ARG 28 1HH2 ARG 28 4.964 19.963 14.207 140 HH22 ARG 28 2HH2 ARG 28 5.208 21.631 14.599 141 H HIS 29 H HIS 29 -2.279 21.509 16.717 142 HA HIS 29 HA HIS 29 -0.607 22.693 18.795 143 HB2 HIS 29 2HB HIS 29 -1.242 23.612 16.339 144 HB3 HIS 29 3HB HIS 29 -2.515 24.382 17.282 145 HD1 HIS 29 HD1 HIS 29 1.209 23.906 17.951 146 HD2 HIS 29 HD2 HIS 29 -1.682 26.887 17.821 147 HE1 HIS 29 HE1 HIS 29 2.396 26.023 18.608 148 H LYS 30 H LYS 30 -3.055 20.952 19.238 149 HA LYS 30 HA LYS 30 -4.752 20.814 20.747 150 HB2 LYS 30 2HB LYS 30 -3.726 23.429 21.855 151 HB3 LYS 30 3HB LYS 30 -4.683 22.217 22.697 152 HG2 LYS 30 2HG LYS 30 -2.653 20.663 22.160 153 HG3 LYS 30 3HG LYS 30 -1.789 22.194 21.992 154 HD2 LYS 30 2HD LYS 30 -2.957 22.719 24.294 155 HD3 LYS 30 3HD LYS 30 -3.028 20.959 24.406 156 HE2 LYS 30 2HE LYS 30 -0.886 20.881 24.988 157 HE3 LYS 30 3HE LYS 30 -0.428 21.736 23.516 158 HZ1 LYS 30 3HZ LYS 30 -0.931 22.805 26.205 159 HZ2 LYS 30 1HZ LYS 30 -1.218 23.796 24.864 160 HZ3 LYS 30 2HZ LYS 30 0.325 23.156 25.127 161 H LYS 31 H LYS 31 -5.475 21.793 18.315 162 HA LYS 31 HA LYS 31 -6.777 24.257 18.247 163 HB2 LYS 31 2HB LYS 31 -6.420 23.072 16.204 164 HB3 LYS 31 3HB LYS 31 -7.321 21.677 16.781 165 HG2 LYS 31 2HG LYS 31 -9.376 23.028 16.778 166 HG3 LYS 31 3HG LYS 31 -8.456 24.390 16.133 167 HD2 LYS 31 2HD LYS 31 -7.921 22.110 14.519 168 HD3 LYS 31 3HD LYS 31 -9.669 22.244 14.722 169 HE2 LYS 31 2HE LYS 31 -8.034 24.651 14.024 170 HE3 LYS 31 3HE LYS 31 -8.506 23.503 12.772 171 HZ1 LYS 31 3HZ LYS 31 -10.610 24.431 14.561 172 HZ2 LYS 31 1HZ LYS 31 -10.663 24.108 12.901 173 HZ3 LYS 31 2HZ LYS 31 -10.004 25.562 13.458 174 H SER 32 H SER 32 -8.493 21.140 18.416 175 HA SER 32 HA SER 32 -10.325 22.341 20.380 176 HB2 SER 32 2HB SER 32 -10.935 21.429 17.697 177 HB3 SER 32 3HB SER 32 -11.865 20.532 18.897 178 HG SER 32 HG SER 32 -12.494 22.830 17.990 179 H ARG 33 H ARG 33 -10.214 19.169 18.786 180 HA ARG 33 HA ARG 33 -9.268 17.876 21.193 181 HB2 ARG 33 2HB ARG 33 -12.113 17.875 20.398 182 HB3 ARG 33 3HB ARG 33 -11.441 16.301 20.802 183 HG2 ARG 33 2HG ARG 33 -11.336 18.726 22.583 184 HG3 ARG 33 3HG ARG 33 -12.511 17.416 22.716 185 HD2 ARG 33 2HD ARG 33 -11.053 16.465 24.117 186 HD3 ARG 33 3HD ARG 33 -10.114 16.080 22.675 187 HE ARG 33 HE ARG 33 -9.273 18.570 23.312 188 HH11 ARG 33 1HH1 ARG 33 -9.566 15.608 25.118 189 HH12 ARG 33 2HH1 ARG 33 -8.240 15.968 26.174 190 HH21 ARG 33 1HH2 ARG 33 -7.525 19.055 24.696 191 HH22 ARG 33 2HH2 ARG 33 -7.081 17.929 25.933 192 H TYR 34 H TYR 34 -11.271 16.668 18.522 193 HA TYR 34 HA TYR 34 -8.940 15.405 17.307 194 HB2 TYR 34 2HB TYR 34 -10.022 13.196 17.258 195 HB3 TYR 34 3HB TYR 34 -9.737 13.737 18.908 196 HD1 TYR 34 HD1 TYR 34 -12.313 13.185 16.332 197 HD2 TYR 34 HD2 TYR 34 -11.558 14.155 20.405 198 HE1 TYR 34 HE1 TYR 34 -14.690 12.823 16.853 199 HE2 TYR 34 HE2 TYR 34 -13.932 13.796 20.938 200 HH TYR 34 HH TYR 34 -16.296 13.096 18.410 201 H VAL 35 H VAL 35 -9.326 14.627 15.155 202 HA VAL 35 HA VAL 35 -11.809 15.611 13.922 203 HB VAL 35 HB VAL 35 -10.522 16.395 11.970 204 HG11 VAL 35 1HG1 VAL 35 -10.985 17.713 14.278 205 HG12 VAL 35 2HG1 VAL 35 -9.233 17.892 14.156 206 HG13 VAL 35 3HG1 VAL 35 -10.272 18.457 12.847 207 HG21 VAL 35 3HG2 VAL 35 -8.542 15.144 11.995 208 HG22 VAL 35 1HG2 VAL 35 -8.028 16.781 12.404 209 HG23 VAL 35 2HG2 VAL 35 -8.190 15.565 13.671 210 H ILE 36 H ILE 36 -12.770 14.176 12.634 211 HA ILE 36 HA ILE 36 -11.247 11.780 11.860 212 HB ILE 36 HB ILE 36 -14.249 12.000 11.903 213 HG12 ILE 36 2HG1 ILE 36 -12.415 11.073 14.125 214 HG13 ILE 36 3HG1 ILE 36 -13.433 12.508 14.153 215 HG21 ILE 36 1HG2 ILE 36 -14.235 9.880 11.229 216 HG22 ILE 36 2HG2 ILE 36 -12.508 10.066 10.934 217 HG23 ILE 36 3HG2 ILE 36 -13.074 9.423 12.475 218 HD11 ILE 36 3HD1 ILE 36 -14.392 10.669 15.438 219 HD12 ILE 36 1HD1 ILE 36 -15.420 11.126 14.080 220 HD13 ILE 36 2HD1 ILE 36 -14.424 9.673 13.982 221 H MET 37 H MET 37 -11.047 11.211 9.766 222 HA MET 37 HA MET 37 -12.627 12.667 7.763 223 HB2 MET 37 2HB MET 37 -9.630 12.286 7.746 224 HB3 MET 37 3HB MET 37 -10.557 12.822 6.352 225 HG2 MET 37 2HG MET 37 -10.453 14.909 7.059 226 HG3 MET 37 3HG MET 37 -11.254 14.459 8.562 227 HE1 MET 37 3HE MET 37 -8.789 12.323 9.594 228 HE2 MET 37 1HE MET 37 -8.194 13.458 10.806 229 HE3 MET 37 2HE MET 37 -9.928 13.288 10.535 230 H HIS 38 H HIS 38 -12.766 11.602 5.694 231 HA HIS 38 HA HIS 38 -12.074 8.745 5.751 232 HB2 HIS 38 2HB HIS 38 -14.224 8.109 4.928 233 HB3 HIS 38 3HB HIS 38 -14.498 9.148 6.323 234 HD1 HIS 38 HD1 HIS 38 -16.046 8.570 3.327 235 HD2 HIS 38 HD2 HIS 38 -14.582 12.058 5.046 236 HE1 HIS 38 HE1 HIS 38 -17.280 10.446 2.196 237 H ILE 39 H ILE 39 -12.310 7.745 3.524 238 HA ILE 39 HA ILE 39 -10.922 9.452 1.637 239 HB ILE 39 HB ILE 39 -11.717 6.562 1.284 240 HG12 ILE 39 2HG1 ILE 39 -9.166 7.743 2.406 241 HG13 ILE 39 3HG1 ILE 39 -10.354 6.797 3.296 242 HG21 ILE 39 1HG2 ILE 39 -11.076 7.939 -0.734 243 HG22 ILE 39 2HG2 ILE 39 -9.467 8.069 -0.025 244 HG23 ILE 39 3HG2 ILE 39 -10.115 6.487 -0.456 245 HD11 ILE 39 3HD1 ILE 39 -8.130 5.921 1.702 246 HD12 ILE 39 1HD1 ILE 39 -9.143 5.009 2.820 247 HD13 ILE 39 2HD1 ILE 39 -9.636 5.199 1.137 248 H VAL 40 H VAL 40 -11.859 10.508 0.022 249 HA VAL 40 HA VAL 40 -14.610 9.775 -0.725 250 HB VAL 40 HB VAL 40 -13.204 12.409 -1.182 251 HG11 VAL 40 1HG1 VAL 40 -14.937 11.999 -2.815 252 HG12 VAL 40 2HG1 VAL 40 -16.080 11.575 -1.539 253 HG13 VAL 40 3HG1 VAL 40 -15.481 13.229 -1.674 254 HG21 VAL 40 3HG2 VAL 40 -14.834 13.204 0.593 255 HG22 VAL 40 1HG2 VAL 40 -15.081 11.502 0.984 256 HG23 VAL 40 2HG2 VAL 40 -13.480 12.222 1.155 257 H ASP 41 H ASP 41 -15.041 9.087 -2.725 258 HA ASP 41 HA ASP 41 -14.772 8.456 -4.894 259 HB2 ASP 41 2HB ASP 41 -13.694 11.098 -4.715 260 HB3 ASP 41 3HB ASP 41 -12.691 10.159 -5.817 261 H GLN 42 H GLN 42 -12.821 7.663 -2.636 262 HA GLN 42 HA GLN 42 -10.935 6.405 -2.364 263 HB2 GLN 42 2HB GLN 42 -11.782 5.388 -5.082 264 HB3 GLN 42 3HB GLN 42 -10.681 4.570 -3.981 265 HG2 GLN 42 2HG GLN 42 -12.364 4.017 -2.496 266 HG3 GLN 42 3HG GLN 42 -13.445 5.273 -3.097 267 HE21 GLN 42 1HE2 GLN 42 -12.845 2.035 -3.079 268 HE22 GLN 42 2HE2 GLN 42 -13.739 1.570 -4.482 269 H LYS 43 H LYS 43 -10.549 9.012 -3.579 270 HA LYS 43 HA LYS 43 -7.926 8.510 -4.764 271 HB2 LYS 43 2HB LYS 43 -10.129 10.118 -6.039 272 HB3 LYS 43 3HB LYS 43 -8.437 10.408 -6.420 273 HG2 LYS 43 2HG LYS 43 -8.176 8.296 -7.396 274 HG3 LYS 43 3HG LYS 43 -9.665 7.685 -6.673 275 HD2 LYS 43 2HD LYS 43 -10.985 8.641 -8.255 276 HD3 LYS 43 3HD LYS 43 -9.920 10.034 -8.454 277 HE2 LYS 43 2HE LYS 43 -8.690 7.543 -9.317 278 HE3 LYS 43 3HE LYS 43 -10.175 7.907 -10.195 279 HZ1 LYS 43 3HZ LYS 43 -7.837 9.716 -9.901 280 HZ2 LYS 43 1HZ LYS 43 -9.271 10.098 -10.714 281 HZ3 LYS 43 2HZ LYS 43 -8.269 8.868 -11.300 282 H SER 44 H SER 44 -10.224 10.858 -3.459 283 HA SER 44 HA SER 44 -7.942 12.331 -2.319 284 HB2 SER 44 2HB SER 44 -10.198 13.308 -3.937 285 HB3 SER 44 3HB SER 44 -9.905 14.233 -2.465 286 HG SER 44 HG SER 44 -8.692 14.980 -4.292 287 H ILE 45 H ILE 45 -7.964 12.496 -0.178 288 HA ILE 45 HA ILE 45 -10.202 11.459 1.318 289 HB ILE 45 HB ILE 45 -7.647 12.692 2.354 290 HG12 ILE 45 2HG1 ILE 45 -8.342 9.790 1.850 291 HG13 ILE 45 3HG1 ILE 45 -7.205 10.751 0.910 292 HG21 ILE 45 1HG2 ILE 45 -9.543 12.587 3.953 293 HG22 ILE 45 2HG2 ILE 45 -9.587 10.840 3.727 294 HG23 ILE 45 3HG2 ILE 45 -8.161 11.601 4.432 295 HD11 ILE 45 3HD1 ILE 45 -5.586 10.149 2.280 296 HD12 ILE 45 1HD1 ILE 45 -6.429 10.923 3.622 297 HD13 ILE 45 2HD1 ILE 45 -6.734 9.226 3.250 298 H ALA 46 H ALA 46 -11.730 12.581 2.359 299 HA ALA 46 HA ALA 46 -11.367 15.484 2.680 300 HB1 ALA 46 1HB ALA 46 -12.989 14.499 0.785 301 HB2 ALA 46 2HB ALA 46 -14.110 14.532 2.146 302 HB3 ALA 46 3HB ALA 46 -13.300 16.013 1.635 303 H VAL 47 H VAL 47 -12.770 16.445 4.329 304 HA VAL 47 HA VAL 47 -12.776 14.870 6.712 305 HB VAL 47 HB VAL 47 -12.301 17.278 6.768 306 HG11 VAL 47 1HG1 VAL 47 -15.219 17.633 6.089 307 HG12 VAL 47 2HG1 VAL 47 -14.069 18.916 6.471 308 HG13 VAL 47 3HG1 VAL 47 -13.869 17.959 5.002 309 HG21 VAL 47 3HG2 VAL 47 -13.261 16.025 8.734 310 HG22 VAL 47 1HG2 VAL 47 -13.489 17.774 8.761 311 HG23 VAL 47 2HG2 VAL 47 -14.826 16.717 8.309 312 H LYS 48 H LYS 48 -14.442 13.940 7.792 313 HA LYS 48 HA LYS 48 -17.041 13.903 6.414 314 HB2 LYS 48 2HB LYS 48 -15.488 11.781 7.026 315 HB3 LYS 48 3HB LYS 48 -16.453 11.878 8.493 316 HG2 LYS 48 2HG LYS 48 -18.490 11.679 7.217 317 HG3 LYS 48 3HG LYS 48 -17.580 11.713 5.705 318 HD2 LYS 48 2HD LYS 48 -17.395 9.500 5.809 319 HD3 LYS 48 3HD LYS 48 -16.444 9.676 7.285 320 HE2 LYS 48 2HE LYS 48 -18.116 8.383 8.115 321 HE3 LYS 48 3HE LYS 48 -18.872 9.960 8.338 322 HZ1 LYS 48 3HZ LYS 48 -19.480 7.867 6.380 323 HZ2 LYS 48 1HZ LYS 48 -19.723 9.478 5.924 324 HZ3 LYS 48 2HZ LYS 48 -20.531 8.850 7.270 325 H THR 49 H THR 49 -15.645 13.772 9.690 326 HA THR 49 HA THR 49 -17.528 15.699 10.670 327 HB THR 49 HB THR 49 -17.817 12.816 11.519 328 HG1 THR 49 HG1 THR 49 -19.382 14.689 10.138 329 HG21 THR 49 3HG2 THR 49 -18.893 15.315 12.825 330 HG22 THR 49 1HG2 THR 49 -17.791 14.136 13.534 331 HG23 THR 49 2HG2 THR 49 -19.458 13.683 13.181 332 H ILE 50 H ILE 50 -16.432 16.872 12.089 333 HA ILE 50 HA ILE 50 -14.120 15.681 13.436 334 HB ILE 50 HB ILE 50 -13.584 18.069 14.040 335 HG12 ILE 50 2HG1 ILE 50 -15.700 18.716 11.980 336 HG13 ILE 50 3HG1 ILE 50 -15.946 18.877 13.716 337 HG21 ILE 50 1HG2 ILE 50 -12.913 16.652 11.887 338 HG22 ILE 50 2HG2 ILE 50 -13.747 17.983 11.086 339 HG23 ILE 50 3HG2 ILE 50 -12.370 18.311 12.138 340 HD11 ILE 50 3HD1 ILE 50 -15.413 21.022 12.992 341 HD12 ILE 50 1HD1 ILE 50 -13.908 20.410 13.677 342 HD13 ILE 50 2HD1 ILE 50 -14.131 20.445 11.927 343 H GLY 51 H GLY 51 -13.808 15.831 15.670 344 HA2 GLY 51 2HA GLY 51 -16.145 15.562 17.251 345 HA3 GLY 51 3HA GLY 51 -14.497 15.656 17.855 346 H GLU 52 H GLU 52 -13.585 18.045 17.418 347 HA GLU 52 HA GLU 52 -13.635 20.227 18.060 348 HB2 GLU 52 2HB GLU 52 -16.630 20.179 17.775 349 HB3 GLU 52 3HB GLU 52 -15.535 21.538 17.562 350 HG2 GLU 52 2HG GLU 52 -14.659 20.552 15.532 351 HG3 GLU 52 3HG GLU 52 -15.681 19.134 15.757 352 H ARG 53 H ARG 53 -12.993 19.600 20.176 353 HA ARG 53 HA ARG 53 -13.119 19.708 22.445 354 HB2 ARG 53 2HB ARG 53 -15.115 21.518 21.514 355 HB3 ARG 53 3HB ARG 53 -15.762 20.662 22.907 356 HG2 ARG 53 2HG ARG 53 -14.419 21.730 24.337 357 HG3 ARG 53 3HG ARG 53 -13.021 21.606 23.267 358 HD2 ARG 53 2HD ARG 53 -13.300 23.844 23.122 359 HD3 ARG 53 3HD ARG 53 -14.478 23.388 21.893 360 HE ARG 53 HE ARG 53 -16.132 24.175 23.255 361 HH11 ARG 53 1HH1 ARG 53 -13.272 23.627 25.164 362 HH12 ARG 53 2HH1 ARG 53 -13.939 24.328 26.601 363 HH21 ARG 53 1HH2 ARG 53 -17.021 25.100 25.141 364 HH22 ARG 53 2HH2 ARG 53 -16.072 25.165 26.587 365 H GLY 54 H GLY 54 -14.394 17.505 20.743 366 HA2 GLY 54 2HA GLY 54 -15.043 15.370 21.465 367 HA3 GLY 54 3HA GLY 54 -15.505 16.059 23.014 368 H ALA 55 H ALA 55 -16.468 15.885 19.607 369 HA ALA 55 HA ALA 55 -18.968 17.011 19.716 370 HB1 ALA 55 1HB ALA 55 -17.802 14.813 18.071 371 HB2 ALA 55 2HB ALA 55 -19.524 15.174 17.939 372 HB3 ALA 55 3HB ALA 55 -18.332 16.425 17.587 373 H ASN 56 H ASN 56 -21.108 15.863 19.605 374 HA ASN 56 HA ASN 56 -21.523 14.424 22.025 375 HB2 ASN 56 2HB ASN 56 -23.165 16.013 20.945 376 HB3 ASN 56 3HB ASN 56 -23.493 14.755 19.757 377 HD21 ASN 56 1HD2 ASN 56 -23.026 14.740 23.274 378 HD22 ASN 56 2HD2 ASN 56 -24.511 13.936 23.638 379 H PHE 57 H PHE 57 -22.487 12.314 22.234 380 HA PHE 57 HA PHE 57 -21.152 10.340 20.716 381 HB2 PHE 57 2HB PHE 57 -22.832 10.439 23.054 382 HB3 PHE 57 3HB PHE 57 -23.339 9.116 22.008 383 HD1 PHE 57 HD1 PHE 57 -21.065 7.930 20.924 384 HD2 PHE 57 HD2 PHE 57 -21.468 9.750 24.751 385 HE1 PHE 57 HE1 PHE 57 -19.213 6.550 21.772 386 HE2 PHE 57 HE2 PHE 57 -19.616 8.373 25.604 387 HZ PHE 57 HZ PHE 57 -18.486 6.771 24.114 388 H ASP 58 H ASP 58 -24.335 11.772 20.508 389 HA ASP 58 HA ASP 58 -25.484 9.847 18.771 390 HB2 ASP 58 2HB ASP 58 -26.645 11.686 20.176 391 HB3 ASP 58 3HB ASP 58 -26.288 12.745 18.814 392 H GLN 59 H GLN 59 -23.923 12.985 18.183 393 HA GLN 59 HA GLN 59 -24.168 12.787 15.341 394 HB2 GLN 59 2HB GLN 59 -22.860 14.805 15.257 395 HB3 GLN 59 3HB GLN 59 -24.019 14.947 16.572 396 HG2 GLN 59 2HG GLN 59 -22.284 14.423 18.187 397 HG3 GLN 59 3HG GLN 59 -21.116 14.217 16.883 398 HE21 GLN 59 1HE2 GLN 59 -21.069 16.194 15.360 399 HE22 GLN 59 2HE2 GLN 59 -20.976 17.728 16.149 400 H PHE 60 H PHE 60 -21.692 12.009 17.704 401 HA PHE 60 HA PHE 60 -19.555 11.616 15.908 402 HB2 PHE 60 2HB PHE 60 -19.016 11.832 18.210 403 HB3 PHE 60 3HB PHE 60 -20.125 10.544 18.668 404 HD1 PHE 60 HD1 PHE 60 -17.567 10.597 15.974 405 HD2 PHE 60 HD2 PHE 60 -18.789 8.962 19.709 406 HE1 PHE 60 HE1 PHE 60 -15.720 8.974 15.865 407 HE2 PHE 60 HE2 PHE 60 -16.944 7.338 19.606 408 HZ PHE 60 HZ PHE 60 -15.406 7.343 17.683 409 H ILE 61 H ILE 61 -21.880 9.329 17.322 410 HA ILE 61 HA ILE 61 -20.859 7.074 15.913 411 HB ILE 61 HB ILE 61 -23.525 7.487 17.270 412 HG12 ILE 61 2HG1 ILE 61 -21.532 7.599 18.745 413 HG13 ILE 61 3HG1 ILE 61 -22.557 6.213 19.098 414 HG21 ILE 61 1HG2 ILE 61 -22.335 5.141 15.868 415 HG22 ILE 61 2HG2 ILE 61 -23.359 4.876 17.278 416 HG23 ILE 61 3HG2 ILE 61 -23.998 5.726 15.872 417 HD11 ILE 61 3HD1 ILE 61 -20.596 5.444 17.183 418 HD12 ILE 61 1HD1 ILE 61 -19.802 6.248 18.536 419 HD13 ILE 61 2HD1 ILE 61 -20.841 4.852 18.826 420 H GLU 62 H GLU 62 -23.599 9.263 15.399 421 HA GLU 62 HA GLU 62 -24.742 7.957 13.207 422 HB2 GLU 62 2HB GLU 62 -24.752 10.795 14.170 423 HB3 GLU 62 3HB GLU 62 -25.481 10.397 12.621 424 HG2 GLU 62 2HG GLU 62 -26.239 8.853 15.058 425 HG3 GLU 62 3HG GLU 62 -26.933 10.448 14.769 426 H ALA 63 H ALA 63 -22.104 10.285 13.393 427 HA ALA 63 HA ALA 63 -21.850 10.604 10.562 428 HB1 ALA 63 1HB ALA 63 -21.045 12.413 11.786 429 HB2 ALA 63 2HB ALA 63 -20.160 11.383 12.911 430 HB3 ALA 63 3HB ALA 63 -19.578 11.587 11.259 431 H ILE 64 H ILE 64 -19.835 8.949 13.000 432 HA ILE 64 HA ILE 64 -18.135 7.718 11.100 433 HB ILE 64 HB ILE 64 -17.569 8.069 13.513 434 HG12 ILE 64 2HG1 ILE 64 -17.237 5.152 13.068 435 HG13 ILE 64 3HG1 ILE 64 -16.647 6.216 11.795 436 HG21 ILE 64 1HG2 ILE 64 -19.932 6.924 14.068 437 HG22 ILE 64 2HG2 ILE 64 -18.872 5.529 14.259 438 HG23 ILE 64 3HG2 ILE 64 -18.592 6.986 15.212 439 HD11 ILE 64 3HD1 ILE 64 -14.837 5.757 13.254 440 HD12 ILE 64 1HD1 ILE 64 -15.332 7.425 13.542 441 HD13 ILE 64 2HD1 ILE 64 -15.800 6.158 14.676 442 H ASP 65 H ASP 65 -18.119 5.662 10.251 443 HA ASP 65 HA ASP 65 -20.305 3.844 10.894 444 HB2 ASP 65 2HB ASP 65 -20.882 5.451 8.917 445 HB3 ASP 65 3HB ASP 65 -19.783 4.426 7.998 446 H LYS 66 H LYS 66 -18.991 2.248 11.611 447 HA LYS 66 HA LYS 66 -16.488 1.536 10.694 448 HB2 LYS 66 2HB LYS 66 -17.014 -0.746 11.631 449 HB3 LYS 66 3HB LYS 66 -17.274 0.597 12.736 450 HG2 LYS 66 2HG LYS 66 -19.346 -0.092 13.068 451 HG3 LYS 66 3HG LYS 66 -19.702 0.165 11.358 452 HD2 LYS 66 2HD LYS 66 -20.231 -2.115 11.956 453 HD3 LYS 66 3HD LYS 66 -18.836 -2.101 10.875 454 HE2 LYS 66 2HE LYS 66 -17.654 -3.220 12.385 455 HE3 LYS 66 3HE LYS 66 -17.883 -1.910 13.542 456 HZ1 LYS 66 3HZ LYS 66 -19.244 -4.466 13.344 457 HZ2 LYS 66 1HZ LYS 66 -20.230 -3.145 13.722 458 HZ3 LYS 66 2HZ LYS 66 -18.907 -3.520 14.705 459 H ASN 67 H ASN 67 -16.068 1.305 8.572 460 HA ASN 67 HA ASN 67 -16.743 -1.041 7.216 461 HB2 ASN 67 2HB ASN 67 -18.692 1.106 6.954 462 HB3 ASN 67 3HB ASN 67 -18.033 0.620 5.395 463 HD21 ASN 67 1HD2 ASN 67 -20.707 0.267 6.570 464 HD22 ASN 67 2HD2 ASN 67 -21.021 -1.431 6.504 465 H VAL 68 H VAL 68 -16.585 2.307 6.010 466 HA VAL 68 HA VAL 68 -14.505 1.617 4.151 467 HB VAL 68 HB VAL 68 -14.524 4.059 3.608 468 HG11 VAL 68 1HG1 VAL 68 -16.839 2.236 3.412 469 HG12 VAL 68 2HG1 VAL 68 -17.139 3.930 3.019 470 HG13 VAL 68 3HG1 VAL 68 -15.904 3.026 2.143 471 HG21 VAL 68 3HG2 VAL 68 -17.006 4.589 5.029 472 HG22 VAL 68 1HG2 VAL 68 -15.641 4.324 6.114 473 HG23 VAL 68 2HG2 VAL 68 -15.554 5.580 4.879 474 HA PRO 69 HA PRO 69 -10.941 2.604 6.518 475 HB2 PRO 69 2HB PRO 69 -9.304 3.613 4.601 476 HB3 PRO 69 3HB PRO 69 -9.699 1.895 4.720 477 HG2 PRO 69 2HG PRO 69 -10.864 3.986 2.923 478 HG3 PRO 69 3HG PRO 69 -10.392 2.321 2.541 479 HD2 PRO 69 2HD PRO 69 -12.965 3.041 2.981 480 HD3 PRO 69 3HD PRO 69 -12.335 1.437 3.410 481 H CYS 70 H CYS 70 -11.211 4.231 7.950 482 HA CYS 70 HA CYS 70 -10.911 6.980 6.940 483 HB2 CYS 70 2HB CYS 70 -12.615 6.175 9.303 484 HB3 CYS 70 3HB CYS 70 -12.469 7.781 8.602 485 HG CYS 70 HG CYS 70 -14.228 5.113 7.484 486 H TYR 71 H TYR 71 -9.975 8.493 8.472 487 HA TYR 71 HA TYR 71 -8.348 7.197 10.554 488 HB2 TYR 71 2HB TYR 71 -7.333 9.447 8.821 489 HB3 TYR 71 3HB TYR 71 -6.414 8.433 9.928 490 HD1 TYR 71 HD1 TYR 71 -8.122 8.527 6.662 491 HD2 TYR 71 HD2 TYR 71 -5.589 6.293 9.250 492 HE1 TYR 71 HE1 TYR 71 -7.572 7.011 4.805 493 HE2 TYR 71 HE2 TYR 71 -5.031 4.772 7.400 494 HH TYR 71 HH TYR 71 -5.040 4.677 5.027 495 H ALA 72 H ALA 72 -8.426 8.152 12.486 496 HA ALA 72 HA ALA 72 -9.461 10.908 12.639 497 HB1 ALA 72 1HB ALA 72 -10.610 10.311 14.709 498 HB2 ALA 72 2HB ALA 72 -11.169 9.322 13.359 499 HB3 ALA 72 3HB ALA 72 -10.052 8.646 14.544 500 H ALA 73 H ALA 73 -8.242 12.311 13.734 501 HA ALA 73 HA ALA 73 -5.971 11.251 15.275 502 HB1 ALA 73 1HB ALA 73 -6.298 13.993 14.063 503 HB2 ALA 73 2HB ALA 73 -4.856 13.357 14.855 504 HB3 ALA 73 3HB ALA 73 -5.407 12.658 13.332 505 H PHE 74 H PHE 74 -5.831 11.611 17.400 506 HA PHE 74 HA PHE 74 -7.659 13.590 18.593 507 HB2 PHE 74 2HB PHE 74 -8.399 11.292 19.067 508 HB3 PHE 74 3HB PHE 74 -6.821 10.927 19.758 509 HD1 PHE 74 HD2 PHE 74 -6.107 12.074 21.853 510 HD2 PHE 74 HD1 PHE 74 -10.070 12.371 20.327 511 HE1 PHE 74 HE2 PHE 74 -6.894 12.837 24.055 512 HE2 PHE 74 HE1 PHE 74 -10.863 13.136 22.527 513 HZ PHE 74 HZ PHE 74 -9.275 13.369 24.395 514 H ASP 75 H ASP 75 -6.729 15.120 19.783 515 HA ASP 75 HA ASP 75 -3.881 14.862 20.404 516 HB2 ASP 75 2HB ASP 75 -4.788 16.870 19.155 517 HB3 ASP 75 3HB ASP 75 -5.594 17.337 20.650 518 H PHE 76 H PHE 76 -3.219 14.413 22.392 519 HA PHE 76 HA PHE 76 -5.034 14.991 24.640 520 HB2 PHE 76 2HB PHE 76 -4.654 12.518 23.968 521 HB3 PHE 76 3HB PHE 76 -3.058 12.726 24.680 522 HD1 PHE 76 HD2 PHE 76 -6.451 13.891 25.701 523 HD2 PHE 76 HD1 PHE 76 -2.978 11.641 26.700 524 HE1 PHE 76 HE2 PHE 76 -7.390 13.435 27.929 525 HE2 PHE 76 HE1 PHE 76 -3.913 11.180 28.929 526 HZ PHE 76 HZ PHE 76 -6.121 12.079 29.546 527 H GLU 77 H GLU 77 -3.850 15.102 26.772 528 HA GLU 77 HA GLU 77 -1.316 16.552 26.389 529 HB2 GLU 77 2HB GLU 77 -1.935 17.563 28.669 530 HB3 GLU 77 3HB GLU 77 -2.837 18.102 27.260 531 HG2 GLU 77 2HG GLU 77 -4.699 16.720 27.840 532 HG3 GLU 77 3HG GLU 77 -3.788 15.962 29.145 533 H TYR 78 H TYR 78 0.413 16.157 27.759 534 HA TYR 78 HA TYR 78 0.180 14.175 29.858 535 HB2 TYR 78 2HB TYR 78 0.705 13.196 27.377 536 HB3 TYR 78 3HB TYR 78 2.337 13.504 27.958 537 HD1 TYR 78 HD1 TYR 78 -0.843 11.830 28.955 538 HD2 TYR 78 HD2 TYR 78 3.397 11.926 29.297 539 HE1 TYR 78 HE1 TYR 78 -0.903 9.722 30.220 540 HE2 TYR 78 HE2 TYR 78 3.349 9.818 30.563 541 HH TYR 78 HH TYR 78 0.521 8.520 31.864 542 H THR 79 H THR 79 2.335 13.819 30.939 543 HA THR 79 HA THR 79 3.901 16.315 30.862 544 HB THR 79 HB THR 79 2.715 16.157 32.958 545 HG1 THR 79 HG1 THR 79 5.378 15.341 33.516 546 HG21 THR 79 3HG2 THR 79 3.521 14.143 34.469 547 HG22 THR 79 1HG2 THR 79 3.721 13.353 32.905 548 HG23 THR 79 2HG2 THR 79 2.142 13.976 33.382 549 H THR 80 H THR 80 4.793 14.629 29.077 550 HA THR 80 HA THR 80 6.642 12.691 30.110 551 HB THR 80 HB THR 80 6.363 13.819 27.318 552 HG1 THR 80 HG1 THR 80 5.449 11.369 28.458 553 HG21 THR 80 3HG2 THR 80 7.591 11.702 26.697 554 HG22 THR 80 1HG2 THR 80 7.985 11.523 28.406 555 HG23 THR 80 2HG2 THR 80 8.561 12.929 27.510 556 H ASN 81 H ASN 81 6.967 15.854 28.508 557 HA ASN 81 HA ASN 81 9.804 15.935 28.799 558 HB2 ASN 81 2HB ASN 81 8.560 17.177 27.036 559 HB3 ASN 81 3HB ASN 81 7.896 18.226 28.285 560 HD21 ASN 81 1HD2 ASN 81 8.847 20.017 27.265 561 HD22 ASN 81 2HD2 ASN 81 10.537 20.342 27.413 562 H ASP 82 H ASP 82 7.080 17.151 30.656 563 HA ASP 82 HA ASP 82 8.401 17.202 33.091 564 HB2 ASP 82 2HB ASP 82 9.141 19.411 31.459 565 HB3 ASP 82 3HB ASP 82 8.132 20.028 32.765 566 H GLY 83 H GLY 83 5.975 18.757 31.065 567 HA2 GLY 83 2HA GLY 83 3.850 18.057 32.790 568 HA3 GLY 83 3HA GLY 83 4.279 19.741 33.052 569 HA PRO 84 HA PRO 84 1.850 21.001 29.635 570 HB2 PRO 84 2HB PRO 84 3.359 22.947 28.492 571 HB3 PRO 84 3HB PRO 84 2.537 23.155 30.042 572 HG2 PRO 84 2HG PRO 84 5.402 22.485 29.493 573 HG3 PRO 84 3HG PRO 84 4.726 23.616 30.679 574 HD2 PRO 84 2HD PRO 84 5.569 21.133 31.351 575 HD3 PRO 84 3HD PRO 84 4.221 21.940 32.178 576 H ARG 85 H ARG 85 2.363 18.776 28.689 577 HA ARG 85 HA ARG 85 3.810 19.129 26.145 578 HB2 ARG 85 2HB ARG 85 4.409 17.315 28.183 579 HB3 ARG 85 3HB ARG 85 3.572 16.359 26.968 580 HG2 ARG 85 2HG ARG 85 5.493 18.075 25.709 581 HG3 ARG 85 3HG ARG 85 6.260 17.134 26.990 582 HD2 ARG 85 2HD ARG 85 4.951 15.146 25.931 583 HD3 ARG 85 3HD ARG 85 4.867 16.196 24.517 584 HE ARG 85 HE ARG 85 7.524 15.994 25.518 585 HH11 ARG 85 1HH1 ARG 85 5.117 14.321 23.641 586 HH12 ARG 85 2HH1 ARG 85 6.274 13.419 22.719 587 HH21 ARG 85 1HH2 ARG 85 9.057 14.813 24.311 588 HH22 ARG 85 2HH2 ARG 85 8.515 13.700 23.102 589 H ASP 86 H ASP 86 2.932 18.125 24.308 590 HA ASP 86 HA ASP 86 0.202 17.070 24.606 591 HB2 ASP 86 2HB ASP 86 -0.266 18.278 22.378 592 HB3 ASP 86 3HB ASP 86 -0.232 19.247 23.848 593 H LYS 87 H LYS 87 -0.252 15.299 23.427 594 HA LYS 87 HA LYS 87 1.666 14.494 21.345 595 HB2 LYS 87 2HB LYS 87 1.070 13.164 23.837 596 HB3 LYS 87 3HB LYS 87 0.634 12.136 22.478 597 HG2 LYS 87 2HG LYS 87 3.305 13.476 22.568 598 HG3 LYS 87 3HG LYS 87 3.012 11.984 23.464 599 HD2 LYS 87 2HD LYS 87 2.452 10.810 21.456 600 HD3 LYS 87 3HD LYS 87 2.470 12.303 20.515 601 HE2 LYS 87 2HE LYS 87 4.966 11.861 21.930 602 HE3 LYS 87 3HE LYS 87 4.572 10.528 20.846 603 HZ1 LYS 87 3HZ LYS 87 5.443 13.179 20.221 604 HZ2 LYS 87 1HZ LYS 87 4.035 12.763 19.380 605 HZ3 LYS 87 2HZ LYS 87 5.416 11.797 19.246 606 H LEU 88 H LEU 88 0.770 13.915 19.467 607 HA LEU 88 HA LEU 88 -2.150 13.694 19.352 608 HB2 LEU 88 2HB LEU 88 -0.213 14.979 17.739 609 HB3 LEU 88 3HB LEU 88 -0.940 13.700 16.769 610 HG LEU 88 HG LEU 88 -2.410 15.956 18.132 611 HD11 LEU 88 1HD1 LEU 88 -1.021 16.492 16.089 612 HD12 LEU 88 2HD1 LEU 88 -2.739 16.876 15.985 613 HD13 LEU 88 3HD1 LEU 88 -2.108 15.436 15.186 614 HD21 LEU 88 3HD2 LEU 88 -3.933 14.550 16.165 615 HD22 LEU 88 1HD2 LEU 88 -4.285 14.799 17.876 616 HD23 LEU 88 2HD2 LEU 88 -3.332 13.405 17.366 617 H ILE 89 H ILE 89 -3.163 11.870 18.743 618 HA ILE 89 HA ILE 89 -1.476 9.591 17.935 619 HB ILE 89 HB ILE 89 -4.163 9.179 19.172 620 HG12 ILE 89 2HG1 ILE 89 -3.115 10.720 20.720 621 HG13 ILE 89 3HG1 ILE 89 -3.081 9.102 21.413 622 HG21 ILE 89 1HG2 ILE 89 -3.444 7.105 18.726 623 HG22 ILE 89 2HG2 ILE 89 -1.767 7.620 18.559 624 HG23 ILE 89 3HG2 ILE 89 -2.437 7.309 20.160 625 HD11 ILE 89 3HD1 ILE 89 -0.893 10.876 20.680 626 HD12 ILE 89 1HD1 ILE 89 -0.936 9.531 21.819 627 HD13 ILE 89 2HD1 ILE 89 -0.690 9.224 20.100 628 H LEU 90 H LEU 90 -2.255 8.175 16.352 629 HA LEU 90 HA LEU 90 -4.521 9.203 14.773 630 HB2 LEU 90 2HB LEU 90 -1.925 9.137 13.964 631 HB3 LEU 90 3HB LEU 90 -2.514 7.589 13.363 632 HG LEU 90 HG LEU 90 -2.633 9.318 11.648 633 HD11 LEU 90 1HD1 LEU 90 -4.635 7.556 12.373 634 HD12 LEU 90 2HD1 LEU 90 -4.478 8.387 10.826 635 HD13 LEU 90 3HD1 LEU 90 -5.486 9.076 12.099 636 HD21 LEU 90 3HD2 LEU 90 -3.065 11.128 13.471 637 HD22 LEU 90 1HD2 LEU 90 -4.761 10.734 13.192 638 HD23 LEU 90 2HD2 LEU 90 -3.761 11.317 11.861 639 H ILE 91 H ILE 91 -6.183 7.856 14.713 640 HA ILE 91 HA ILE 91 -5.667 4.968 15.004 641 HB ILE 91 HB ILE 91 -8.229 6.388 15.728 642 HG12 ILE 91 2HG1 ILE 91 -7.134 5.532 18.091 643 HG13 ILE 91 3HG1 ILE 91 -5.709 6.071 17.210 644 HG21 ILE 91 1HG2 ILE 91 -7.426 3.756 16.838 645 HG22 ILE 91 2HG2 ILE 91 -9.028 4.382 16.452 646 HG23 ILE 91 3HG2 ILE 91 -7.969 3.813 15.162 647 HD11 ILE 91 3HD1 ILE 91 -8.117 7.824 17.377 648 HD12 ILE 91 1HD1 ILE 91 -6.983 7.731 18.723 649 HD13 ILE 91 2HD1 ILE 91 -6.426 8.260 17.135 650 H SER 92 H SER 92 -6.106 3.776 13.280 651 HA SER 92 HA SER 92 -7.824 4.898 11.183 652 HB2 SER 92 2HB SER 92 -6.661 3.595 9.627 653 HB3 SER 92 3HB SER 92 -5.401 4.043 10.776 654 HG SER 92 HG SER 92 -6.754 1.576 10.515 655 H TRP 93 H TRP 93 -9.656 3.909 10.503 656 HA TRP 93 HA TRP 93 -10.587 1.643 12.112 657 HB2 TRP 93 2HB TRP 93 -11.947 3.850 10.626 658 HB3 TRP 93 3HB TRP 93 -12.812 2.333 10.860 659 HD1 TRP 93 HD1 TRP 93 -10.550 4.181 13.411 660 HE1 TRP 93 HE1 TRP 93 -11.948 4.638 15.523 661 HE3 TRP 93 HE3 TRP 93 -15.064 2.404 11.796 662 HZ2 TRP 93 HZ2 TRP 93 -14.612 4.292 16.390 663 HZ3 TRP 93 HZ3 TRP 93 -16.986 2.503 13.329 664 HH2 TRP 93 HH2 TRP 93 -16.763 3.427 15.578 665 H ASN 94 H ASN 94 -10.374 -0.309 11.254 666 HA ASN 94 HA ASN 94 -11.272 -0.856 8.580 667 HB2 ASN 94 2HB ASN 94 -8.697 -0.089 8.645 668 HB3 ASN 94 3HB ASN 94 -8.488 -1.800 9.006 669 HD21 ASN 94 1HD2 ASN 94 -10.426 -2.966 7.513 670 HD22 ASN 94 2HD2 ASN 94 -10.128 -2.693 5.833 671 HA PRO 95 HA PRO 95 -12.013 -4.292 11.512 672 HB2 PRO 95 2HB PRO 95 -14.407 -4.972 10.426 673 HB3 PRO 95 3HB PRO 95 -14.226 -3.683 11.623 674 HG2 PRO 95 2HG PRO 95 -14.455 -3.484 8.645 675 HG3 PRO 95 3HG PRO 95 -15.230 -2.494 9.895 676 HD2 PRO 95 2HD PRO 95 -13.039 -1.670 8.535 677 HD3 PRO 95 3HD PRO 95 -13.347 -1.206 10.221 678 H ASP 96 H ASP 96 -11.284 -6.297 11.174 679 HA ASP 96 HA ASP 96 -10.318 -7.184 8.710 680 HB2 ASP 96 2HB ASP 96 -10.449 -8.177 11.398 681 HB3 ASP 96 3HB ASP 96 -10.883 -9.470 10.283 682 H SER 97 H SER 97 -13.490 -7.296 10.041 683 HA SER 97 HA SER 97 -14.361 -9.252 8.034 684 HB2 SER 97 2HB SER 97 -15.530 -8.267 10.615 685 HB3 SER 97 3HB SER 97 -16.584 -8.978 9.393 686 HG SER 97 HG SER 97 -14.769 -10.699 9.472 687 H GLY 98 H GLY 98 -13.744 -6.200 7.850 688 HA2 GLY 98 2HA GLY 98 -16.262 -5.050 7.071 689 HA3 GLY 98 3HA GLY 98 -14.674 -4.325 6.865 690 H ALA 99 H ALA 99 -13.894 -4.186 4.865 691 HA ALA 99 HA ALA 99 -14.930 -6.026 2.818 692 HB1 ALA 99 1HB ALA 99 -14.568 -3.730 1.394 693 HB2 ALA 99 2HB ALA 99 -16.117 -4.308 2.007 694 HB3 ALA 99 3HB ALA 99 -15.198 -3.114 2.922 695 HA PRO 100 HA PRO 100 -10.784 -6.514 1.466 696 HB2 PRO 100 2HB PRO 100 -11.069 -6.692 -1.228 697 HB3 PRO 100 3HB PRO 100 -11.576 -7.974 -0.122 698 HG2 PRO 100 2HG PRO 100 -13.223 -5.851 -1.441 699 HG3 PRO 100 3HG PRO 100 -13.584 -7.573 -1.224 700 HD2 PRO 100 2HD PRO 100 -14.637 -5.652 0.367 701 HD3 PRO 100 3HD PRO 100 -14.265 -7.284 0.958 702 H ARG 101 H ARG 101 -12.602 -4.103 -0.412 703 HA ARG 101 HA ARG 101 -10.315 -2.751 -1.403 704 HB2 ARG 101 2HB ARG 101 -13.227 -2.343 -1.407 705 HB3 ARG 101 3HB ARG 101 -12.289 -0.856 -1.438 706 HG2 ARG 101 2HG ARG 101 -10.984 -2.059 -3.352 707 HG3 ARG 101 3HG ARG 101 -12.448 -3.039 -3.457 708 HD2 ARG 101 2HD ARG 101 -13.678 -0.763 -3.491 709 HD3 ARG 101 3HD ARG 101 -12.100 -0.101 -3.919 710 HE ARG 101 HE ARG 101 -12.393 -0.925 -6.022 711 HH11 ARG 101 1HH1 ARG 101 -14.486 -2.664 -3.850 712 HH12 ARG 101 2HH1 ARG 101 -15.260 -3.567 -5.110 713 HH21 ARG 101 1HH2 ARG 101 -13.405 -2.108 -7.690 714 HH22 ARG 101 2HH2 ARG 101 -14.643 -3.250 -7.294 715 H THR 102 H THR 102 -12.228 -2.458 1.511 716 HA THR 102 HA THR 102 -11.239 0.069 2.338 717 HB THR 102 HB THR 102 -12.223 -0.375 4.470 718 HG1 THR 102 HG1 THR 102 -12.714 -3.073 3.789 719 HG21 THR 102 3HG2 THR 102 -13.831 -1.644 2.254 720 HG22 THR 102 1HG2 THR 102 -13.858 0.046 2.756 721 HG23 THR 102 2HG2 THR 102 -14.488 -1.204 3.830 722 H LYS 103 H LYS 103 -10.311 -3.264 3.147 723 HA LYS 103 HA LYS 103 -8.235 -2.535 4.937 724 HB2 LYS 103 2HB LYS 103 -7.512 -4.893 4.700 725 HB3 LYS 103 3HB LYS 103 -9.228 -4.738 5.051 726 HG2 LYS 103 2HG LYS 103 -9.750 -5.110 2.697 727 HG3 LYS 103 3HG LYS 103 -8.028 -5.252 2.336 728 HD2 LYS 103 2HD LYS 103 -9.488 -7.032 4.283 729 HD3 LYS 103 3HD LYS 103 -9.236 -7.435 2.583 730 HE2 LYS 103 2HE LYS 103 -6.761 -7.091 3.018 731 HE3 LYS 103 3HE LYS 103 -7.166 -7.058 4.734 732 HZ1 LYS 103 3HZ LYS 103 -8.092 -9.273 4.530 733 HZ2 LYS 103 1HZ LYS 103 -6.483 -9.264 4.008 734 HZ3 LYS 103 2HZ LYS 103 -7.739 -9.304 2.876 735 H MET 104 H MET 104 -8.337 -3.230 1.483 736 HA MET 104 HA MET 104 -5.512 -3.192 1.112 737 HB2 MET 104 2HB MET 104 -7.534 -4.072 -0.408 738 HB3 MET 104 3HB MET 104 -7.312 -2.492 -1.147 739 HG2 MET 104 2HG MET 104 -4.793 -3.213 -1.187 740 HG3 MET 104 3HG MET 104 -5.480 -4.832 -1.083 741 HE1 MET 104 3HE MET 104 -4.465 -4.910 -4.601 742 HE2 MET 104 1HE MET 104 -4.300 -5.447 -2.929 743 HE3 MET 104 2HE MET 104 -5.649 -6.021 -3.910 744 H LEU 105 H LEU 105 -8.085 -0.809 0.524 745 HA LEU 105 HA LEU 105 -6.503 1.232 -0.517 746 HB2 LEU 105 2HB LEU 105 -9.090 1.186 0.982 747 HB3 LEU 105 3HB LEU 105 -8.331 2.724 0.576 748 HG LEU 105 HG LEU 105 -9.061 0.636 -1.471 749 HD11 LEU 105 1HD1 LEU 105 -10.658 2.842 -0.254 750 HD12 LEU 105 2HD1 LEU 105 -11.153 1.213 -0.714 751 HD13 LEU 105 3HD1 LEU 105 -10.885 2.436 -1.956 752 HD21 LEU 105 3HD2 LEU 105 -9.052 3.112 -2.652 753 HD22 LEU 105 1HD2 LEU 105 -7.742 1.933 -2.725 754 HD23 LEU 105 2HD2 LEU 105 -7.705 3.219 -1.518 755 H TYR 106 H TYR 106 -6.999 0.200 2.780 756 HA TYR 106 HA TYR 106 -6.080 2.461 4.141 757 HB2 TYR 106 2HB TYR 106 -7.143 0.718 5.382 758 HB3 TYR 106 3HB TYR 106 -5.963 -0.473 4.845 759 HD1 TYR 106 HD2 TYR 106 -6.015 2.811 6.639 760 HD2 TYR 106 HD1 TYR 106 -4.346 -1.093 6.362 761 HE1 TYR 106 HE2 TYR 106 -4.664 3.253 8.646 762 HE2 TYR 106 HE1 TYR 106 -2.991 -0.662 8.370 763 HH TYR 106 HH TYR 106 -2.570 0.751 10.039 764 H SER 107 H SER 107 -4.287 -0.390 2.998 765 HA SER 107 HA SER 107 -1.755 0.569 3.877 766 HB2 SER 107 2HB SER 107 -2.788 -1.766 2.455 767 HB3 SER 107 3HB SER 107 -1.213 -1.244 1.856 768 HG SER 107 HG SER 107 -0.519 -2.331 3.524 769 H SER 108 H SER 108 -3.592 0.846 0.911 770 HA SER 108 HA SER 108 -1.489 1.785 -0.736 771 HB2 SER 108 2HB SER 108 -3.358 1.014 -1.918 772 HB3 SER 108 3HB SER 108 -4.489 1.903 -0.898 773 HG SER 108 HG SER 108 -4.379 3.079 -2.725 774 H SER 109 H SER 109 -3.486 3.292 1.652 775 HA SER 109 HA SER 109 -2.609 5.962 0.811 776 HB2 SER 109 2HB SER 109 -4.924 6.022 1.174 777 HB3 SER 109 3HB SER 109 -4.825 4.977 2.591 778 HG SER 109 HG SER 109 -4.444 7.712 2.366 779 H ARG 110 H ARG 110 -2.113 3.541 3.206 780 HA ARG 110 HA ARG 110 -1.209 5.036 5.372 781 HB2 ARG 110 2HB ARG 110 -1.378 2.346 4.740 782 HB3 ARG 110 3HB ARG 110 0.351 2.611 4.921 783 HG2 ARG 110 2HG ARG 110 -1.382 3.748 7.024 784 HG3 ARG 110 3HG ARG 110 -1.258 1.989 6.957 785 HD2 ARG 110 2HD ARG 110 1.008 2.000 7.407 786 HD3 ARG 110 3HD ARG 110 1.218 3.653 6.830 787 HE ARG 110 HE ARG 110 0.668 4.424 8.921 788 HH11 ARG 110 1HH1 ARG 110 -0.135 1.045 8.678 789 HH12 ARG 110 2HH1 ARG 110 -0.472 0.870 10.368 790 HH21 ARG 110 1HH2 ARG 110 0.226 4.206 11.149 791 HH22 ARG 110 2HH2 ARG 110 -0.268 2.668 11.772 792 H ASP 111 H ASP 111 0.486 3.990 2.460 793 HA ASP 111 HA ASP 111 3.081 4.739 3.222 794 HB2 ASP 111 2HB ASP 111 1.771 3.815 0.849 795 HB3 ASP 111 3HB ASP 111 2.803 5.181 0.433 796 H ALA 112 H ALA 112 0.495 6.561 1.640 797 HA ALA 112 HA ALA 112 2.098 8.935 1.361 798 HB1 ALA 112 1HB ALA 112 -0.657 9.555 1.134 799 HB2 ALA 112 2HB ALA 112 0.545 9.407 -0.148 800 HB3 ALA 112 3HB ALA 112 -0.388 7.997 0.353 801 H LEU 113 H LEU 113 0.056 7.567 3.780 802 HA LEU 113 HA LEU 113 -0.416 10.067 5.153 803 HB2 LEU 113 2HB LEU 113 -1.266 7.271 5.426 804 HB3 LEU 113 3HB LEU 113 -1.059 8.129 6.952 805 HG LEU 113 HG LEU 113 -2.788 9.160 4.712 806 HD11 LEU 113 1HD1 LEU 113 -3.901 7.824 7.135 807 HD12 LEU 113 2HD1 LEU 113 -3.389 6.846 5.760 808 HD13 LEU 113 3HD1 LEU 113 -4.634 8.078 5.551 809 HD21 LEU 113 3HD2 LEU 113 -2.057 10.049 7.411 810 HD22 LEU 113 1HD2 LEU 113 -3.784 10.099 7.057 811 HD23 LEU 113 2HD2 LEU 113 -2.648 10.973 6.029 812 H VAL 114 H VAL 114 1.912 7.508 5.201 813 HA VAL 114 HA VAL 114 2.931 7.632 7.764 814 HB VAL 114 HB VAL 114 4.118 6.984 5.113 815 HG11 VAL 114 1HG1 VAL 114 6.295 6.487 6.347 816 HG12 VAL 114 2HG1 VAL 114 5.962 8.173 5.946 817 HG13 VAL 114 3HG1 VAL 114 5.704 7.588 7.591 818 HG21 VAL 114 3HG2 VAL 114 3.631 4.936 5.821 819 HG22 VAL 114 1HG2 VAL 114 4.739 5.139 7.178 820 HG23 VAL 114 2HG2 VAL 114 3.044 5.596 7.347 821 HA PRO 115 HA PRO 115 5.851 11.233 6.371 822 HB2 PRO 115 2HB PRO 115 5.234 12.484 4.042 823 HB3 PRO 115 3HB PRO 115 6.312 11.086 4.125 824 HG2 PRO 115 2HG PRO 115 3.413 11.201 3.388 825 HG3 PRO 115 3HG PRO 115 4.727 10.286 2.624 826 HD2 PRO 115 2HD PRO 115 2.965 9.150 4.338 827 HD3 PRO 115 3HD PRO 115 4.653 8.614 4.208 828 H LEU 116 H LEU 116 2.438 11.464 5.511 829 HA LEU 116 HA LEU 116 2.136 14.227 6.028 830 HB2 LEU 116 2HB LEU 116 0.559 12.257 4.988 831 HB3 LEU 116 3HB LEU 116 -0.201 12.538 6.553 832 HG LEU 116 HG LEU 116 -1.286 13.839 4.811 833 HD11 LEU 116 1HD1 LEU 116 0.011 16.079 6.106 834 HD12 LEU 116 2HD1 LEU 116 -0.370 14.790 7.247 835 HD13 LEU 116 3HD1 LEU 116 -1.646 15.492 6.253 836 HD21 LEU 116 3HD2 LEU 116 0.727 14.018 3.348 837 HD22 LEU 116 1HD2 LEU 116 1.347 15.257 4.439 838 HD23 LEU 116 2HD2 LEU 116 -0.155 15.532 3.556 839 H THR 117 H THR 117 1.495 11.354 8.020 840 HA THR 117 HA THR 117 1.169 13.098 10.360 841 HB THR 117 HB THR 117 0.423 10.878 11.452 842 HG1 THR 117 HG1 THR 117 0.998 9.391 9.918 843 HG21 THR 117 3HG2 THR 117 -1.563 11.864 11.256 844 HG22 THR 117 1HG2 THR 117 -1.700 11.278 9.599 845 HG23 THR 117 2HG2 THR 117 -0.948 12.840 9.923 846 H GLN 118 H GLN 118 3.649 13.285 9.980 847 HA GLN 118 HA GLN 118 5.176 11.047 11.005 848 HB2 GLN 118 2HB GLN 118 5.821 12.906 9.205 849 HB3 GLN 118 3HB GLN 118 6.407 13.732 10.642 850 HG2 GLN 118 2HG GLN 118 7.468 11.279 11.016 851 HG3 GLN 118 3HG GLN 118 7.458 11.369 9.255 852 HE21 GLN 118 1HE2 GLN 118 8.353 13.436 8.352 853 HE22 GLN 118 2HE2 GLN 118 9.768 14.075 9.109 854 H GLY 119 H GLY 119 5.572 10.707 13.086 855 HA2 GLY 119 2HA GLY 119 6.413 11.435 15.205 856 HA3 GLY 119 3HA GLY 119 5.713 13.018 14.899 857 H PHE 120 H PHE 120 3.743 10.323 14.128 858 HA PHE 120 HA PHE 120 2.323 10.560 16.693 859 HB2 PHE 120 2HB PHE 120 0.982 10.408 13.986 860 HB3 PHE 120 3HB PHE 120 0.184 10.566 15.547 861 HD1 PHE 120 HD1 PHE 120 1.772 12.628 16.863 862 HD2 PHE 120 HD2 PHE 120 0.478 12.336 12.819 863 HE1 PHE 120 HE1 PHE 120 1.860 15.079 16.661 864 HE2 PHE 120 HE2 PHE 120 0.565 14.786 12.610 865 HZ PHE 120 HZ PHE 120 1.257 16.161 14.533 866 H GLN 121 H GLN 121 1.210 8.713 17.389 867 HA GLN 121 HA GLN 121 2.335 6.237 16.430 868 HB2 GLN 121 2HB GLN 121 0.870 7.148 18.807 869 HB3 GLN 121 3HB GLN 121 0.468 5.514 18.297 870 HG2 GLN 121 2HG GLN 121 2.196 5.198 19.800 871 HG3 GLN 121 3HG GLN 121 3.003 5.128 18.234 872 HE21 GLN 121 1HE2 GLN 121 2.397 7.109 21.054 873 HE22 GLN 121 2HE2 GLN 121 3.748 8.164 20.841 874 H GLY 122 H GLY 122 1.428 4.842 15.059 875 HA2 GLY 122 2HA GLY 122 -1.313 5.396 14.159 876 HA3 GLY 122 3HA GLY 122 -0.105 4.482 13.269 877 H ILE 123 H ILE 123 -2.903 4.218 14.973 878 HA ILE 123 HA ILE 123 -2.385 1.377 15.546 879 HB ILE 123 HB ILE 123 -4.340 2.968 17.173 880 HG12 ILE 123 2HG1 ILE 123 -2.219 4.132 17.429 881 HG13 ILE 123 3HG1 ILE 123 -2.577 3.226 18.896 882 HG21 ILE 123 1HG2 ILE 123 -2.736 0.575 18.008 883 HG22 ILE 123 2HG2 ILE 123 -4.255 1.177 18.670 884 HG23 ILE 123 3HG2 ILE 123 -4.228 0.408 17.083 885 HD11 ILE 123 3HD1 ILE 123 -0.542 2.375 18.749 886 HD12 ILE 123 1HD1 ILE 123 -1.086 1.481 17.330 887 HD13 ILE 123 2HD1 ILE 123 -0.309 3.053 17.138 888 H GLN 124 H GLN 124 -3.617 0.102 14.347 889 HA GLN 124 HA GLN 124 -6.072 1.180 13.172 890 HB2 GLN 124 2HB GLN 124 -5.955 -0.812 11.688 891 HB3 GLN 124 3HB GLN 124 -4.537 0.223 11.579 892 HG2 GLN 124 2HG GLN 124 -3.260 -1.533 11.969 893 HG3 GLN 124 3HG GLN 124 -3.982 -1.678 13.571 894 HE21 GLN 124 1HE2 GLN 124 -4.470 -3.720 13.913 895 HE22 GLN 124 2HE2 GLN 124 -5.253 -4.781 12.797 896 H ALA 125 H ALA 125 -7.915 0.778 14.181 897 HA ALA 125 HA ALA 125 -8.467 -1.901 15.172 898 HB1 ALA 125 1HB ALA 125 -9.459 -0.646 17.288 899 HB2 ALA 125 2HB ALA 125 -7.792 -1.219 17.236 900 HB3 ALA 125 3HB ALA 125 -8.152 0.478 16.916 901 H ASN 126 H ASN 126 -10.561 -2.473 14.925 902 HA ASN 126 HA ASN 126 -12.366 -0.434 13.832 903 HB2 ASN 126 2HB ASN 126 -13.500 -2.149 12.690 904 HB3 ASN 126 3HB ASN 126 -11.803 -2.607 12.572 905 HD21 ASN 126 1HD2 ASN 126 -11.017 -4.177 14.152 906 HD22 ASN 126 2HD2 ASN 126 -12.095 -5.412 14.698 907 H ASP 127 H ASP 127 -14.592 -0.406 14.484 908 HA ASP 127 HA ASP 127 -16.278 -0.362 16.010 909 HB2 ASP 127 2HB ASP 127 -15.522 -2.970 15.919 910 HB3 ASP 127 3HB ASP 127 -15.266 -2.617 17.626 911 H ALA 128 H ALA 128 -16.307 -1.019 18.743 912 HA ALA 128 HA ALA 128 -15.348 1.286 19.927 913 HB1 ALA 128 1HB ALA 128 -15.834 0.281 22.038 914 HB2 ALA 128 2HB ALA 128 -17.042 -0.282 20.883 915 HB3 ALA 128 3HB ALA 128 -15.713 -1.341 21.355 916 H SER 129 H SER 129 -13.673 -1.658 19.194 917 HA SER 129 HA SER 129 -11.544 -1.506 21.000 918 HB2 SER 129 2HB SER 129 -12.212 -3.032 18.663 919 HB3 SER 129 3HB SER 129 -10.529 -2.518 18.556 920 HG SER 129 HG SER 129 -11.288 -4.551 19.835 921 H GLY 130 H GLY 130 -12.296 0.417 18.253 922 HA2 GLY 130 2HA GLY 130 -9.559 1.459 18.082 923 HA3 GLY 130 3HA GLY 130 -10.854 1.771 16.936 924 H LEU 131 H LEU 131 -11.710 2.019 20.238 925 HA LEU 131 HA LEU 131 -11.214 4.901 20.296 926 HB2 LEU 131 2HB LEU 131 -13.919 3.772 20.960 927 HB3 LEU 131 3HB LEU 131 -13.458 5.465 20.800 928 HG LEU 131 HG LEU 131 -13.523 3.512 18.504 929 HD11 LEU 131 1HD1 LEU 131 -15.734 4.262 19.808 930 HD12 LEU 131 2HD1 LEU 131 -15.678 4.029 18.061 931 HD13 LEU 131 3HD1 LEU 131 -15.545 5.652 18.739 932 HD21 LEU 131 3HD2 LEU 131 -12.994 5.255 17.132 933 HD22 LEU 131 1HD2 LEU 131 -12.120 5.753 18.582 934 HD23 LEU 131 2HD2 LEU 131 -13.691 6.464 18.212 935 H ASP 132 H ASP 132 -10.215 2.480 21.716 936 HA ASP 132 HA ASP 132 -11.258 2.630 24.389 937 HB2 ASP 132 2HB ASP 132 -8.969 1.178 23.094 938 HB3 ASP 132 3HB ASP 132 -9.120 1.224 24.848 939 H PHE 133 H PHE 133 -10.838 4.245 25.730 940 HA PHE 133 HA PHE 133 -8.913 6.229 25.312 941 HB2 PHE 133 2HB PHE 133 -10.141 5.467 27.967 942 HB3 PHE 133 3HB PHE 133 -9.470 7.032 27.521 943 HD1 PHE 133 HD1 PHE 133 -10.621 8.359 25.704 944 HD2 PHE 133 HD2 PHE 133 -12.384 4.961 27.564 945 HE1 PHE 133 HE1 PHE 133 -12.839 9.093 24.933 946 HE2 PHE 133 HE2 PHE 133 -14.605 5.689 26.796 947 HZ PHE 133 HZ PHE 133 -14.835 7.757 25.478 948 H GLU 134 H GLU 134 -8.882 3.464 27.550 949 HA GLU 134 HA GLU 134 -6.401 3.946 28.723 950 HB2 GLU 134 2HB GLU 134 -8.333 1.861 28.726 951 HB3 GLU 134 3HB GLU 134 -6.763 1.128 28.430 952 HG2 GLU 134 2HG GLU 134 -5.987 2.558 30.440 953 HG3 GLU 134 3HG GLU 134 -7.707 2.671 30.805 954 H GLU 135 H GLU 135 -7.229 2.450 25.666 955 HA GLU 135 HA GLU 135 -4.686 1.324 25.121 956 HB2 GLU 135 2HB GLU 135 -6.870 0.739 23.987 957 HB3 GLU 135 3HB GLU 135 -6.714 2.238 23.081 958 HG2 GLU 135 2HG GLU 135 -5.754 0.864 21.578 959 HG3 GLU 135 3HG GLU 135 -4.322 1.191 22.553 960 H ILE 136 H ILE 136 -6.164 4.443 24.377 961 HA ILE 136 HA ILE 136 -4.062 5.395 22.730 962 HB ILE 136 HB ILE 136 -6.097 6.957 24.324 963 HG12 ILE 136 2HG1 ILE 136 -7.123 5.439 22.700 964 HG13 ILE 136 3HG1 ILE 136 -7.305 7.112 22.183 965 HG21 ILE 136 1HG2 ILE 136 -4.921 8.754 23.749 966 HG22 ILE 136 2HG2 ILE 136 -3.831 7.795 22.749 967 HG23 ILE 136 3HG2 ILE 136 -5.339 8.409 22.071 968 HD11 ILE 136 3HD1 ILE 136 -5.337 6.778 20.690 969 HD12 ILE 136 1HD1 ILE 136 -5.385 5.066 21.109 970 HD13 ILE 136 2HD1 ILE 136 -6.752 5.809 20.278 971 H SER 137 H SER 137 -4.834 5.888 26.164 972 HA SER 137 HA SER 137 -2.686 7.605 26.743 973 HB2 SER 137 2HB SER 137 -4.525 5.895 28.355 974 HB3 SER 137 3HB SER 137 -3.074 6.520 29.140 975 HG SER 137 HG SER 137 -4.431 8.147 29.440 976 H ARG 138 H ARG 138 -2.974 4.088 26.819 977 HA ARG 138 HA ARG 138 -0.425 3.611 27.978 978 HB2 ARG 138 2HB ARG 138 -2.320 1.978 27.957 979 HB3 ARG 138 3HB ARG 138 -2.046 1.750 26.235 980 HG2 ARG 138 2HG ARG 138 0.380 1.401 27.786 981 HG3 ARG 138 3HG ARG 138 -0.907 0.301 28.284 982 HD2 ARG 138 2HD ARG 138 -1.164 -0.016 25.676 983 HD3 ARG 138 3HD ARG 138 0.517 0.515 25.680 984 HE ARG 138 HE ARG 138 0.337 -1.465 27.591 985 HH11 ARG 138 1HH1 ARG 138 -0.208 -1.181 24.164 986 HH12 ARG 138 2HH1 ARG 138 0.202 -2.831 23.830 987 HH21 ARG 138 1HH2 ARG 138 0.880 -3.639 27.164 988 HH22 ARG 138 2HH2 ARG 138 0.820 -4.228 25.537 989 H LYS 139 H LYS 139 -1.594 3.909 24.674 990 HA LYS 139 HA LYS 139 0.740 2.993 23.376 991 HB2 LYS 139 2HB LYS 139 -1.777 4.197 22.631 992 HB3 LYS 139 3HB LYS 139 -0.460 4.911 21.709 993 HG2 LYS 139 2HG LYS 139 -1.474 3.001 20.561 994 HG3 LYS 139 3HG LYS 139 0.229 2.726 20.934 995 HD2 LYS 139 2HD LYS 139 -0.318 1.292 22.752 996 HD3 LYS 139 3HD LYS 139 -2.022 1.747 22.681 997 HE2 LYS 139 2HE LYS 139 -2.397 0.052 21.298 998 HE3 LYS 139 3HE LYS 139 -1.306 0.785 20.123 999 HZ1 LYS 139 3HZ LYS 139 -0.566 -1.421 20.592 1000 HZ2 LYS 139 1HZ LYS 139 -0.583 -1.143 22.261 1001 HZ3 LYS 139 2HZ LYS 139 0.543 -0.347 21.283 1002 H VAL 140 H VAL 140 -0.372 6.271 24.193 1003 HA VAL 140 HA VAL 140 1.907 7.594 23.150 1004 HB VAL 140 HB VAL 140 -0.185 8.790 23.510 1005 HG11 VAL 140 1HG1 VAL 140 -0.865 7.575 25.556 1006 HG12 VAL 140 2HG1 VAL 140 0.345 8.484 26.463 1007 HG13 VAL 140 3HG1 VAL 140 -1.011 9.326 25.711 1008 HG21 VAL 140 3HG2 VAL 140 0.718 10.797 24.595 1009 HG22 VAL 140 1HG2 VAL 140 2.062 9.845 25.224 1010 HG23 VAL 140 2HG2 VAL 140 1.883 10.076 23.485 1011 H LYS 141 H LYS 141 1.084 6.332 26.335 1012 HA LYS 141 HA LYS 141 3.261 7.466 27.734 1013 HB2 LYS 141 2HB LYS 141 1.248 6.547 28.836 1014 HB3 LYS 141 3HB LYS 141 1.733 4.929 28.346 1015 HG2 LYS 141 2HG LYS 141 3.964 5.808 29.640 1016 HG3 LYS 141 3HG LYS 141 2.676 6.589 30.559 1017 HD2 LYS 141 2HD LYS 141 1.675 4.530 31.105 1018 HD3 LYS 141 3HD LYS 141 2.594 3.663 29.873 1019 HE2 LYS 141 2HE LYS 141 3.794 3.063 31.714 1020 HE3 LYS 141 3HE LYS 141 4.639 4.555 31.302 1021 HZ1 LYS 141 3HZ LYS 141 3.295 3.927 33.673 1022 HZ2 LYS 141 1HZ LYS 141 2.461 5.201 32.935 1023 HZ3 LYS 141 2HZ LYS 141 4.109 5.357 33.279 1024 H SER 142 H SER 142 2.910 4.582 25.794 1025 HA SER 142 HA SER 142 5.424 3.447 26.632 1026 HB2 SER 142 2HB SER 142 3.246 2.690 24.756 1027 HB3 SER 142 3HB SER 142 4.850 2.040 24.419 1028 HG SER 142 HG SER 142 3.505 0.735 25.835 1029 H ASN 143 H ASN 143 4.197 5.224 23.836 1030 HA ASN 143 HA ASN 143 5.243 6.331 22.147 1031 HB2 ASN 143 2HB ASN 143 6.484 7.242 24.229 1032 HB3 ASN 143 3HB ASN 143 7.810 6.204 23.711 1033 HD21 ASN 143 1HD2 ASN 143 9.284 7.255 22.617 1034 HD22 ASN 143 2HD2 ASN 143 9.011 8.567 21.526 1035 H ARG 144 H ARG 144 5.075 3.551 21.916 1036 HA ARG 144 HA ARG 144 7.128 3.085 19.958 1037 HB2 ARG 144 2HB ARG 144 7.987 1.017 20.939 1038 HB3 ARG 144 3HB ARG 144 8.302 2.389 21.993 1039 HG2 ARG 144 2HG ARG 144 6.640 1.734 23.520 1040 HG3 ARG 144 3HG ARG 144 5.934 0.587 22.379 1041 HD2 ARG 144 2HD ARG 144 8.391 -0.433 22.509 1042 HD3 ARG 144 3HD ARG 144 8.340 0.336 24.095 1043 HE ARG 144 HE ARG 144 6.936 -1.320 24.784 1044 HH11 ARG 144 1HH1 ARG 144 6.832 -1.156 21.308 1045 HH12 ARG 144 2HH1 ARG 144 5.812 -2.547 21.142 1046 HH21 ARG 144 1HH2 ARG 144 5.593 -3.153 24.579 1047 HH22 ARG 144 2HH2 ARG 144 5.108 -3.682 23.004 Start of MODEL 3 1 H MET 9 H MET 9 -12.280 -0.653 -12.988 2 HA MET 9 HA MET 9 -13.022 0.573 -10.417 3 HB2 MET 9 2HB MET 9 -13.424 -2.251 -11.415 4 HB3 MET 9 3HB MET 9 -13.826 -1.700 -9.795 5 HG2 MET 9 2HG MET 9 -15.784 -0.933 -10.474 6 HG3 MET 9 3HG MET 9 -15.027 0.022 -11.746 7 HE1 MET 9 3HE MET 9 -18.147 -2.185 -12.235 8 HE2 MET 9 1HE MET 9 -17.549 -0.527 -12.156 9 HE3 MET 9 2HE MET 9 -17.727 -1.325 -13.718 10 H ALA 10 H ALA 10 -12.264 -0.884 -8.504 11 HA ALA 10 HA ALA 10 -10.514 -1.540 -7.205 12 HB1 ALA 10 1HB ALA 10 -10.686 -3.528 -8.659 13 HB2 ALA 10 2HB ALA 10 -9.496 -2.808 -9.745 14 HB3 ALA 10 3HB ALA 10 -9.041 -3.233 -8.095 15 H MET 11 H MET 11 -10.356 1.049 -8.457 16 HA MET 11 HA MET 11 -7.823 1.600 -9.531 17 HB2 MET 11 2HB MET 11 -9.449 3.510 -7.855 18 HB3 MET 11 3HB MET 11 -8.306 3.904 -9.132 19 HG2 MET 11 2HG MET 11 -10.174 2.275 -10.368 20 HG3 MET 11 3HG MET 11 -11.124 3.296 -9.291 21 HE1 MET 11 3HE MET 11 -10.392 5.990 -9.119 22 HE2 MET 11 1HE MET 11 -10.776 6.807 -10.635 23 HE3 MET 11 2HE MET 11 -11.907 5.638 -9.952 24 H SER 12 H SER 12 -6.596 3.522 -8.100 25 HA SER 12 HA SER 12 -6.195 3.064 -5.372 26 HB2 SER 12 2HB SER 12 -4.826 1.183 -7.140 27 HB3 SER 12 3HB SER 12 -3.718 2.045 -6.073 28 HG SER 12 HG SER 12 -4.352 0.444 -4.801 29 H GLY 13 H GLY 13 -5.774 5.153 -4.995 30 HA2 GLY 13 2HA GLY 13 -3.244 6.246 -5.761 31 HA3 GLY 13 3HA GLY 13 -4.568 6.997 -6.639 32 H VAL 14 H VAL 14 -5.021 5.832 -3.393 33 HA VAL 14 HA VAL 14 -6.114 8.158 -2.392 34 HB VAL 14 HB VAL 14 -6.200 5.915 -1.290 35 HG11 VAL 14 1HG1 VAL 14 -4.437 4.991 -0.153 36 HG12 VAL 14 2HG1 VAL 14 -3.581 5.775 -1.483 37 HG13 VAL 14 3HG1 VAL 14 -3.644 6.545 0.103 38 HG21 VAL 14 3HG2 VAL 14 -7.063 7.702 -0.031 39 HG22 VAL 14 1HG2 VAL 14 -5.964 6.866 1.065 40 HG23 VAL 14 2HG2 VAL 14 -5.460 8.365 0.285 41 H SER 15 H SER 15 -5.367 10.000 -1.489 42 HA SER 15 HA SER 15 -2.578 10.262 -0.735 43 HB2 SER 15 2HB SER 15 -3.451 11.076 -3.313 44 HB3 SER 15 3HB SER 15 -3.154 12.538 -2.373 45 HG SER 15 HG SER 15 -1.349 10.391 -2.808 46 H VAL 16 H VAL 16 -2.268 11.760 0.835 47 HA VAL 16 HA VAL 16 -4.571 12.841 2.133 48 HB VAL 16 HB VAL 16 -2.699 12.111 3.476 49 HG11 VAL 16 1HG1 VAL 16 -0.592 12.474 2.884 50 HG12 VAL 16 2HG1 VAL 16 -1.158 13.423 1.507 51 HG13 VAL 16 3HG1 VAL 16 -0.820 14.215 3.047 52 HG21 VAL 16 3HG2 VAL 16 -4.081 14.429 3.846 53 HG22 VAL 16 1HG2 VAL 16 -2.999 13.700 5.033 54 HG23 VAL 16 2HG2 VAL 16 -2.413 14.986 3.978 55 H ALA 17 H ALA 17 -5.550 14.700 1.717 56 HA ALA 17 HA ALA 17 -4.412 16.593 -0.128 57 HB1 ALA 17 1HB ALA 17 -6.688 16.371 -0.445 58 HB2 ALA 17 2HB ALA 17 -7.032 16.337 1.285 59 HB3 ALA 17 3HB ALA 17 -6.594 17.856 0.503 60 H ASP 18 H ASP 18 -4.220 18.888 0.323 61 HA ASP 18 HA ASP 18 -2.584 19.480 2.475 62 HB2 ASP 18 2HB ASP 18 -4.298 21.268 0.752 63 HB3 ASP 18 3HB ASP 18 -3.192 21.900 1.967 64 H GLU 19 H GLU 19 -6.073 19.567 2.237 65 HA GLU 19 HA GLU 19 -6.635 21.100 4.518 66 HB2 GLU 19 2HB GLU 19 -8.848 19.977 4.477 67 HB3 GLU 19 3HB GLU 19 -8.366 20.609 2.909 68 HG2 GLU 19 2HG GLU 19 -9.010 18.597 2.175 69 HG3 GLU 19 3HG GLU 19 -7.414 18.095 2.728 70 H CYS 20 H CYS 20 -6.130 17.620 4.116 71 HA CYS 20 HA CYS 20 -6.708 16.919 6.796 72 HB2 CYS 20 2HB CYS 20 -5.836 15.586 4.399 73 HB3 CYS 20 3HB CYS 20 -4.863 15.048 5.763 74 HG CYS 20 HG CYS 20 -7.692 14.884 7.070 75 H VAL 21 H VAL 21 -3.686 17.653 5.101 76 HA VAL 21 HA VAL 21 -1.904 17.072 7.171 77 HB VAL 21 HB VAL 21 -1.561 19.280 5.142 78 HG11 VAL 21 1HG1 VAL 21 0.255 17.801 6.980 79 HG12 VAL 21 2HG1 VAL 21 0.875 18.321 5.412 80 HG13 VAL 21 3HG1 VAL 21 0.235 19.510 6.547 81 HG21 VAL 21 3HG2 VAL 21 -1.156 16.309 4.885 82 HG22 VAL 21 1HG2 VAL 21 -2.158 17.363 3.887 83 HG23 VAL 21 2HG2 VAL 21 -0.400 17.479 3.803 84 H THR 22 H THR 22 -3.395 20.187 6.299 85 HA THR 22 HA THR 22 -2.267 21.664 8.413 86 HB THR 22 HB THR 22 -4.954 22.347 7.264 87 HG1 THR 22 HG1 THR 22 -2.425 22.524 5.964 88 HG21 THR 22 3HG2 THR 22 -4.534 24.359 8.130 89 HG22 THR 22 1HG2 THR 22 -2.955 24.428 7.348 90 HG23 THR 22 2HG2 THR 22 -3.125 23.655 8.924 91 H ALA 23 H ALA 23 -5.315 19.894 8.131 92 HA ALA 23 HA ALA 23 -6.510 20.712 10.517 93 HB1 ALA 23 1HB ALA 23 -7.623 19.422 8.708 94 HB2 ALA 23 2HB ALA 23 -6.758 17.986 9.256 95 HB3 ALA 23 3HB ALA 23 -7.916 18.779 10.324 96 H LEU 24 H LEU 24 -4.313 17.997 9.885 97 HA LEU 24 HA LEU 24 -4.339 17.012 12.547 98 HB2 LEU 24 2HB LEU 24 -2.278 16.654 10.376 99 HB3 LEU 24 3HB LEU 24 -2.374 15.711 11.862 100 HG LEU 24 HG LEU 24 -4.661 15.754 9.924 101 HD11 LEU 24 1HD1 LEU 24 -2.503 15.170 8.752 102 HD12 LEU 24 2HD1 LEU 24 -3.767 13.941 8.704 103 HD13 LEU 24 3HD1 LEU 24 -2.408 13.766 9.815 104 HD21 LEU 24 3HD2 LEU 24 -4.037 14.453 12.396 105 HD22 LEU 24 1HD2 LEU 24 -4.232 13.247 11.123 106 HD23 LEU 24 2HD2 LEU 24 -5.527 14.399 11.452 107 H ASN 25 H ASN 25 -2.223 19.227 10.786 108 HA ASN 25 HA ASN 25 -0.201 19.498 12.687 109 HB2 ASN 25 2HB ASN 25 -1.213 21.127 10.422 110 HB3 ASN 25 3HB ASN 25 -0.219 21.966 11.610 111 HD21 ASN 25 1HD2 ASN 25 0.301 21.279 8.805 112 HD22 ASN 25 2HD2 ASN 25 1.771 20.372 8.811 113 H ASP 26 H ASP 26 -3.224 21.319 12.312 114 HA ASP 26 HA ASP 26 -2.747 23.021 14.548 115 HB2 ASP 26 2HB ASP 26 -4.595 22.922 12.457 116 HB3 ASP 26 3HB ASP 26 -5.558 22.675 13.911 117 H LEU 27 H LEU 27 -4.534 20.014 14.066 118 HA LEU 27 HA LEU 27 -5.859 19.859 16.501 119 HB2 LEU 27 2HB LEU 27 -6.259 18.325 14.651 120 HB3 LEU 27 3HB LEU 27 -4.656 17.626 14.870 121 HG LEU 27 HG LEU 27 -5.327 16.724 17.030 122 HD11 LEU 27 1HD1 LEU 27 -6.869 18.256 17.890 123 HD12 LEU 27 2HD1 LEU 27 -7.825 16.814 17.552 124 HD13 LEU 27 3HD1 LEU 27 -7.881 18.186 16.447 125 HD21 LEU 27 3HD2 LEU 27 -6.371 14.914 16.153 126 HD22 LEU 27 1HD2 LEU 27 -5.960 15.718 14.638 127 HD23 LEU 27 2HD2 LEU 27 -7.582 15.881 15.310 128 H ARG 28 H ARG 28 -2.577 18.814 15.660 129 HA ARG 28 HA ARG 28 -1.941 17.667 18.151 130 HB2 ARG 28 2HB ARG 28 0.161 17.370 17.303 131 HB3 ARG 28 3HB ARG 28 -0.702 17.668 15.800 132 HG2 ARG 28 2HG ARG 28 -0.060 20.168 16.319 133 HG3 ARG 28 3HG ARG 28 1.216 19.398 17.265 134 HD2 ARG 28 2HD ARG 28 0.883 18.221 14.621 135 HD3 ARG 28 3HD ARG 28 1.297 19.933 14.566 136 HE ARG 28 HE ARG 28 3.008 17.779 15.322 137 HH11 ARG 28 1HH1 ARG 28 2.327 21.149 15.871 138 HH12 ARG 28 2HH1 ARG 28 3.944 21.530 16.362 139 HH21 ARG 28 1HH2 ARG 28 5.141 18.268 15.967 140 HH22 ARG 28 2HH2 ARG 28 5.544 19.891 16.415 141 H HIS 29 H HIS 29 -2.104 20.949 17.082 142 HA HIS 29 HA HIS 29 -0.611 21.919 19.397 143 HB2 HIS 29 2HB HIS 29 -0.866 22.852 16.795 144 HB3 HIS 29 3HB HIS 29 -1.866 23.957 17.734 145 HD1 HIS 29 HD1 HIS 29 0.920 24.647 16.350 146 HD2 HIS 29 HD2 HIS 29 0.291 23.859 20.381 147 HE1 HIS 29 HE1 HIS 29 2.830 25.752 17.558 148 H LYS 30 H LYS 30 -3.357 20.622 19.427 149 HA LYS 30 HA LYS 30 -5.281 20.820 20.624 150 HB2 LYS 30 2HB LYS 30 -4.093 23.287 21.886 151 HB3 LYS 30 3HB LYS 30 -5.287 22.191 22.569 152 HG2 LYS 30 2HG LYS 30 -3.521 20.409 22.543 153 HG3 LYS 30 3HG LYS 30 -2.362 21.668 22.111 154 HD2 LYS 30 2HD LYS 30 -2.141 21.616 24.404 155 HD3 LYS 30 3HD LYS 30 -3.349 22.888 24.202 156 HE2 LYS 30 2HE LYS 30 -4.448 20.175 24.409 157 HE3 LYS 30 3HE LYS 30 -3.605 20.736 25.852 158 HZ1 LYS 30 3HZ LYS 30 -6.029 21.808 24.586 159 HZ2 LYS 30 1HZ LYS 30 -5.033 22.853 25.468 160 HZ3 LYS 30 2HZ LYS 30 -5.718 21.502 26.220 161 H LYS 31 H LYS 31 -5.410 21.822 18.099 162 HA LYS 31 HA LYS 31 -6.342 24.488 17.926 163 HB2 LYS 31 2HB LYS 31 -5.539 23.359 15.951 164 HB3 LYS 31 3HB LYS 31 -6.760 22.105 16.117 165 HG2 LYS 31 2HG LYS 31 -8.101 24.595 16.008 166 HG3 LYS 31 3HG LYS 31 -6.911 24.563 14.705 167 HD2 LYS 31 2HD LYS 31 -7.978 22.060 14.540 168 HD3 LYS 31 3HD LYS 31 -9.375 23.009 15.053 169 HE2 LYS 31 2HE LYS 31 -8.784 24.619 13.185 170 HE3 LYS 31 3HE LYS 31 -7.663 23.387 12.607 171 HZ1 LYS 31 3HZ LYS 31 -10.537 23.487 12.426 172 HZ2 LYS 31 1HZ LYS 31 -9.941 21.990 12.941 173 HZ3 LYS 31 2HZ LYS 31 -9.421 22.647 11.472 174 H SER 32 H SER 32 -8.162 21.422 17.741 175 HA SER 32 HA SER 32 -10.487 22.860 18.844 176 HB2 SER 32 2HB SER 32 -11.547 20.691 17.493 177 HB3 SER 32 3HB SER 32 -11.508 22.352 16.902 178 HG SER 32 HG SER 32 -10.258 20.211 15.922 179 H ARG 33 H ARG 33 -9.938 19.424 18.168 180 HA ARG 33 HA ARG 33 -9.332 18.576 20.749 181 HB2 ARG 33 2HB ARG 33 -11.920 19.501 20.695 182 HB3 ARG 33 3HB ARG 33 -12.134 17.776 20.427 183 HG2 ARG 33 2HG ARG 33 -12.288 18.236 22.774 184 HG3 ARG 33 3HG ARG 33 -10.804 17.333 22.461 185 HD2 ARG 33 2HD ARG 33 -9.500 19.367 22.580 186 HD3 ARG 33 3HD ARG 33 -10.966 20.329 22.768 187 HE ARG 33 HE ARG 33 -10.976 18.497 24.833 188 HH11 ARG 33 1HH1 ARG 33 -8.925 21.083 23.728 189 HH12 ARG 33 2HH1 ARG 33 -8.346 21.476 25.313 190 HH21 ARG 33 1HH2 ARG 33 -10.221 19.004 26.924 191 HH22 ARG 33 2HH2 ARG 33 -9.083 20.292 27.130 192 H TYR 34 H TYR 34 -11.524 17.657 18.092 193 HA TYR 34 HA TYR 34 -9.899 15.254 17.673 194 HB2 TYR 34 2HB TYR 34 -12.113 14.927 19.068 195 HB3 TYR 34 3HB TYR 34 -12.873 15.003 17.482 196 HD1 TYR 34 HD2 TYR 34 -11.727 13.443 15.660 197 HD2 TYR 34 HD1 TYR 34 -11.472 12.860 19.867 198 HE1 TYR 34 HE2 TYR 34 -11.206 11.067 15.293 199 HE2 TYR 34 HE1 TYR 34 -10.950 10.483 19.512 200 HH TYR 34 HH TYR 34 -10.008 9.051 17.728 201 H VAL 35 H VAL 35 -9.649 14.672 15.572 202 HA VAL 35 HA VAL 35 -11.230 16.115 13.552 203 HB VAL 35 HB VAL 35 -8.246 15.653 13.437 204 HG11 VAL 35 1HG1 VAL 35 -8.623 15.680 11.225 205 HG12 VAL 35 2HG1 VAL 35 -10.250 16.339 11.411 206 HG13 VAL 35 3HG1 VAL 35 -8.852 17.414 11.449 207 HG21 VAL 35 3HG2 VAL 35 -9.044 17.461 14.990 208 HG22 VAL 35 1HG2 VAL 35 -7.983 18.005 13.690 209 HG23 VAL 35 2HG2 VAL 35 -9.723 18.275 13.580 210 H ILE 36 H ILE 36 -12.314 14.676 12.393 211 HA ILE 36 HA ILE 36 -11.084 12.048 11.889 212 HB ILE 36 HB ILE 36 -14.007 12.809 11.882 213 HG12 ILE 36 2HG1 ILE 36 -12.468 10.996 13.752 214 HG13 ILE 36 3HG1 ILE 36 -12.931 12.652 14.126 215 HG21 ILE 36 1HG2 ILE 36 -13.564 11.117 10.208 216 HG22 ILE 36 2HG2 ILE 36 -12.677 10.149 11.384 217 HG23 ILE 36 3HG2 ILE 36 -14.412 10.398 11.577 218 HD11 ILE 36 3HD1 ILE 36 -14.512 10.196 14.168 219 HD12 ILE 36 1HD1 ILE 36 -14.714 11.698 15.070 220 HD13 ILE 36 2HD1 ILE 36 -15.318 11.573 13.417 221 H MET 37 H MET 37 -10.820 11.329 9.840 222 HA MET 37 HA MET 37 -11.965 12.911 7.648 223 HB2 MET 37 2HB MET 37 -9.870 12.943 6.455 224 HB3 MET 37 3HB MET 37 -9.621 13.636 8.052 225 HG2 MET 37 2HG MET 37 -9.123 10.812 8.111 226 HG3 MET 37 3HG MET 37 -8.181 11.576 6.833 227 HE1 MET 37 3HE MET 37 -5.331 12.421 8.074 228 HE2 MET 37 1HE MET 37 -5.540 11.038 9.148 229 HE3 MET 37 2HE MET 37 -6.219 11.001 7.520 230 H HIS 38 H HIS 38 -12.075 11.779 5.611 231 HA HIS 38 HA HIS 38 -11.782 8.865 5.798 232 HB2 HIS 38 2HB HIS 38 -13.960 8.460 4.904 233 HB3 HIS 38 3HB HIS 38 -14.162 9.569 6.257 234 HD1 HIS 38 HD1 HIS 38 -15.554 9.074 3.131 235 HD2 HIS 38 HD2 HIS 38 -13.948 12.429 4.982 236 HE1 HIS 38 HE1 HIS 38 -16.538 11.046 1.919 237 H ILE 39 H ILE 39 -11.840 7.792 3.670 238 HA ILE 39 HA ILE 39 -10.339 9.352 1.743 239 HB ILE 39 HB ILE 39 -11.119 6.434 1.700 240 HG12 ILE 39 2HG1 ILE 39 -8.522 7.800 2.439 241 HG13 ILE 39 3HG1 ILE 39 -9.612 6.972 3.547 242 HG21 ILE 39 1HG2 ILE 39 -10.739 7.303 -0.542 243 HG22 ILE 39 2HG2 ILE 39 -9.184 7.961 -0.036 244 HG23 ILE 39 3HG2 ILE 39 -9.435 6.216 -0.065 245 HD11 ILE 39 3HD1 ILE 39 -7.569 5.900 1.762 246 HD12 ILE 39 1HD1 ILE 39 -8.252 5.232 3.244 247 HD13 ILE 39 2HD1 ILE 39 -9.102 5.029 1.712 248 H VAL 40 H VAL 40 -11.137 10.233 -0.050 249 HA VAL 40 HA VAL 40 -13.870 9.494 -0.863 250 HB VAL 40 HB VAL 40 -12.438 12.074 -1.496 251 HG11 VAL 40 1HG1 VAL 40 -15.056 10.913 -2.170 252 HG12 VAL 40 2HG1 VAL 40 -15.086 12.597 -1.645 253 HG13 VAL 40 3HG1 VAL 40 -14.093 12.119 -3.023 254 HG21 VAL 40 3HG2 VAL 40 -14.257 12.901 0.224 255 HG22 VAL 40 1HG2 VAL 40 -14.082 11.261 0.848 256 HG23 VAL 40 2HG2 VAL 40 -12.681 12.329 0.768 257 H ASP 41 H ASP 41 -14.258 8.812 -2.895 258 HA ASP 41 HA ASP 41 -13.852 7.960 -4.966 259 HB2 ASP 41 2HB ASP 41 -13.104 10.614 -5.020 260 HB3 ASP 41 3HB ASP 41 -11.686 9.798 -5.673 261 H GLN 42 H GLN 42 -12.149 7.144 -2.637 262 HA GLN 42 HA GLN 42 -10.191 6.026 -2.178 263 HB2 GLN 42 2HB GLN 42 -9.924 4.038 -3.556 264 HB3 GLN 42 3HB GLN 42 -11.629 4.339 -3.249 265 HG2 GLN 42 2HG GLN 42 -12.027 5.034 -5.434 266 HG3 GLN 42 3HG GLN 42 -10.316 5.313 -5.754 267 HE21 GLN 42 1HE2 GLN 42 -12.743 3.414 -6.600 268 HE22 GLN 42 2HE2 GLN 42 -11.914 1.930 -6.906 269 H LYS 43 H LYS 43 -9.601 8.492 -3.334 270 HA LYS 43 HA LYS 43 -7.008 7.898 -4.484 271 HB2 LYS 43 2HB LYS 43 -8.956 8.286 -6.289 272 HB3 LYS 43 3HB LYS 43 -8.524 9.964 -5.985 273 HG2 LYS 43 2HG LYS 43 -6.386 9.704 -6.828 274 HG3 LYS 43 3HG LYS 43 -6.402 7.953 -6.603 275 HD2 LYS 43 2HD LYS 43 -7.527 7.578 -8.547 276 HD3 LYS 43 3HD LYS 43 -8.414 9.101 -8.454 277 HE2 LYS 43 2HE LYS 43 -6.611 10.331 -9.307 278 HE3 LYS 43 3HE LYS 43 -5.462 9.032 -8.989 279 HZ1 LYS 43 3HZ LYS 43 -6.670 7.710 -10.695 280 HZ2 LYS 43 1HZ LYS 43 -5.889 9.080 -11.309 281 HZ3 LYS 43 2HZ LYS 43 -7.564 9.094 -11.079 282 H SER 44 H SER 44 -9.343 10.343 -3.457 283 HA SER 44 HA SER 44 -7.095 11.923 -2.394 284 HB2 SER 44 2HB SER 44 -9.114 12.717 -4.264 285 HB3 SER 44 3HB SER 44 -9.335 13.628 -2.771 286 HG SER 44 HG SER 44 -7.855 14.793 -3.831 287 H ILE 45 H ILE 45 -7.138 12.256 -0.272 288 HA ILE 45 HA ILE 45 -9.381 11.303 1.279 289 HB ILE 45 HB ILE 45 -6.820 12.598 2.223 290 HG12 ILE 45 2HG1 ILE 45 -7.554 9.668 2.028 291 HG13 ILE 45 3HG1 ILE 45 -6.453 10.509 0.943 292 HG21 ILE 45 1HG2 ILE 45 -8.857 10.960 3.728 293 HG22 ILE 45 2HG2 ILE 45 -7.359 11.618 4.385 294 HG23 ILE 45 3HG2 ILE 45 -8.642 12.706 3.856 295 HD11 ILE 45 3HD1 ILE 45 -6.077 9.818 3.830 296 HD12 ILE 45 1HD1 ILE 45 -5.067 9.400 2.446 297 HD13 ILE 45 2HD1 ILE 45 -5.106 11.060 3.041 298 H ALA 46 H ALA 46 -10.918 12.491 2.232 299 HA ALA 46 HA ALA 46 -10.556 15.407 2.376 300 HB1 ALA 46 1HB ALA 46 -12.548 15.885 1.354 301 HB2 ALA 46 2HB ALA 46 -12.070 14.443 0.457 302 HB3 ALA 46 3HB ALA 46 -13.257 14.320 1.755 303 H VAL 47 H VAL 47 -11.989 16.466 3.933 304 HA VAL 47 HA VAL 47 -12.048 15.061 6.407 305 HB VAL 47 HB VAL 47 -11.665 17.503 6.248 306 HG11 VAL 47 1HG1 VAL 47 -13.674 17.620 4.515 307 HG12 VAL 47 2HG1 VAL 47 -14.577 18.008 5.981 308 HG13 VAL 47 3HG1 VAL 47 -13.203 19.005 5.500 309 HG21 VAL 47 3HG2 VAL 47 -14.018 16.627 7.919 310 HG22 VAL 47 1HG2 VAL 47 -12.315 16.574 8.372 311 HG23 VAL 47 2HG2 VAL 47 -13.123 18.127 8.158 312 H LYS 48 H LYS 48 -13.701 14.118 7.484 313 HA LYS 48 HA LYS 48 -16.243 13.858 6.034 314 HB2 LYS 48 2HB LYS 48 -14.660 11.883 6.929 315 HB3 LYS 48 3HB LYS 48 -15.645 12.121 8.366 316 HG2 LYS 48 2HG LYS 48 -16.836 11.695 5.643 317 HG3 LYS 48 3HG LYS 48 -16.432 10.365 6.731 318 HD2 LYS 48 2HD LYS 48 -18.370 10.649 7.781 319 HD3 LYS 48 3HD LYS 48 -17.885 12.288 8.224 320 HE2 LYS 48 2HE LYS 48 -19.025 13.243 6.474 321 HE3 LYS 48 3HE LYS 48 -18.926 11.792 5.477 322 HZ1 LYS 48 3HZ LYS 48 -21.077 11.622 6.076 323 HZ2 LYS 48 1HZ LYS 48 -20.889 12.529 7.492 324 HZ3 LYS 48 2HZ LYS 48 -20.435 10.900 7.465 325 H THR 49 H THR 49 -14.958 14.295 9.321 326 HA THR 49 HA THR 49 -17.059 16.143 9.971 327 HB THR 49 HB THR 49 -16.992 13.477 11.396 328 HG1 THR 49 HG1 THR 49 -19.050 14.737 9.873 329 HG21 THR 49 3HG2 THR 49 -19.214 15.053 12.161 330 HG22 THR 49 1HG2 THR 49 -17.776 16.060 12.327 331 HG23 THR 49 2HG2 THR 49 -17.869 14.509 13.163 332 H ILE 50 H ILE 50 -15.826 17.673 10.856 333 HA ILE 50 HA ILE 50 -13.636 16.906 12.643 334 HB ILE 50 HB ILE 50 -13.159 18.495 10.793 335 HG12 ILE 50 2HG1 ILE 50 -12.819 20.073 13.303 336 HG13 ILE 50 3HG1 ILE 50 -12.106 18.465 13.233 337 HG21 ILE 50 1HG2 ILE 50 -14.763 20.515 12.334 338 HG22 ILE 50 2HG2 ILE 50 -14.053 20.673 10.729 339 HG23 ILE 50 3HG2 ILE 50 -15.434 19.606 10.981 340 HD11 ILE 50 3HD1 ILE 50 -10.481 20.126 12.605 341 HD12 ILE 50 1HD1 ILE 50 -10.880 19.124 11.210 342 HD13 ILE 50 2HD1 ILE 50 -11.556 20.747 11.353 343 H GLY 51 H GLY 51 -13.644 17.316 14.780 344 HA2 GLY 51 2HA GLY 51 -16.092 18.489 15.897 345 HA3 GLY 51 3HA GLY 51 -14.955 17.465 16.761 346 H GLU 52 H GLU 52 -15.538 19.454 18.231 347 HA GLU 52 HA GLU 52 -13.188 20.919 18.606 348 HB2 GLU 52 2HB GLU 52 -14.146 23.222 18.100 349 HB3 GLU 52 3HB GLU 52 -13.663 22.251 16.717 350 HG2 GLU 52 2HG GLU 52 -15.838 21.865 16.055 351 HG3 GLU 52 3HG GLU 52 -16.493 22.192 17.659 352 H ARG 53 H ARG 53 -14.039 19.769 20.572 353 HA ARG 53 HA ARG 53 -14.998 19.768 22.639 354 HB2 ARG 53 2HB ARG 53 -14.916 22.768 22.268 355 HB3 ARG 53 3HB ARG 53 -15.022 21.910 23.800 356 HG2 ARG 53 2HG ARG 53 -12.822 21.579 23.889 357 HG3 ARG 53 3HG ARG 53 -12.738 21.088 22.196 358 HD2 ARG 53 2HD ARG 53 -11.578 23.015 21.990 359 HD3 ARG 53 3HD ARG 53 -13.192 23.717 21.888 360 HE ARG 53 HE ARG 53 -12.157 23.525 24.568 361 HH11 ARG 53 1HH1 ARG 53 -12.334 25.465 21.683 362 HH12 ARG 53 2HH1 ARG 53 -12.022 26.955 22.509 363 HH21 ARG 53 1HH2 ARG 53 -11.745 25.481 25.667 364 HH22 ARG 53 2HH2 ARG 53 -11.686 26.963 24.775 365 H GLY 54 H GLY 54 -16.943 18.868 21.542 366 HA2 GLY 54 2HA GLY 54 -19.295 19.866 22.568 367 HA3 GLY 54 3HA GLY 54 -19.160 20.577 20.967 368 H ALA 55 H ALA 55 -17.733 18.155 19.969 369 HA ALA 55 HA ALA 55 -20.113 16.649 19.288 370 HB1 ALA 55 1HB ALA 55 -17.265 16.342 18.346 371 HB2 ALA 55 2HB ALA 55 -18.664 15.492 17.689 372 HB3 ALA 55 3HB ALA 55 -18.541 17.244 17.528 373 H ASN 56 H ASN 56 -20.781 15.071 20.582 374 HA ASN 56 HA ASN 56 -19.081 13.796 22.485 375 HB2 ASN 56 2HB ASN 56 -21.888 13.973 21.971 376 HB3 ASN 56 3HB ASN 56 -21.453 12.272 22.113 377 HD21 ASN 56 1HD2 ASN 56 -22.254 11.799 24.068 378 HD22 ASN 56 2HD2 ASN 56 -21.775 12.567 25.539 379 H PHE 57 H PHE 57 -18.800 11.436 22.630 380 HA PHE 57 HA PHE 57 -17.664 10.408 20.239 381 HB2 PHE 57 2HB PHE 57 -17.167 8.414 21.556 382 HB3 PHE 57 3HB PHE 57 -16.785 9.864 22.479 383 HD1 PHE 57 HD2 PHE 57 -18.109 10.496 24.409 384 HD2 PHE 57 HD1 PHE 57 -18.979 6.964 22.199 385 HE1 PHE 57 HE2 PHE 57 -19.523 9.694 26.256 386 HE2 PHE 57 HE1 PHE 57 -20.396 6.156 24.042 387 HZ PHE 57 HZ PHE 57 -20.668 7.521 26.074 388 H ASP 58 H ASP 58 -20.679 9.834 21.957 389 HA ASP 58 HA ASP 58 -21.552 7.548 20.629 390 HB2 ASP 58 2HB ASP 58 -22.614 9.319 22.504 391 HB3 ASP 58 3HB ASP 58 -23.727 9.403 21.142 392 H GLN 59 H GLN 59 -22.030 10.965 19.785 393 HA GLN 59 HA GLN 59 -23.558 10.468 17.457 394 HB2 GLN 59 2HB GLN 59 -22.054 12.822 18.531 395 HB3 GLN 59 3HB GLN 59 -22.657 12.865 16.880 396 HG2 GLN 59 2HG GLN 59 -24.701 11.964 18.698 397 HG3 GLN 59 3HG GLN 59 -24.041 13.520 19.200 398 HE21 GLN 59 1HE2 GLN 59 -23.612 14.944 17.100 399 HE22 GLN 59 2HE2 GLN 59 -25.004 15.111 16.091 400 H PHE 60 H PHE 60 -20.107 10.814 18.044 401 HA PHE 60 HA PHE 60 -19.251 11.010 15.382 402 HB2 PHE 60 2HB PHE 60 -17.988 10.219 17.960 403 HB3 PHE 60 3HB PHE 60 -17.142 9.796 16.476 404 HD1 PHE 60 HD2 PHE 60 -17.398 11.959 14.710 405 HD2 PHE 60 HD1 PHE 60 -17.088 12.070 18.954 406 HE1 PHE 60 HE2 PHE 60 -16.485 14.240 14.580 407 HE2 PHE 60 HE1 PHE 60 -16.176 14.351 18.831 408 HZ PHE 60 HZ PHE 60 -15.871 15.439 16.642 409 H ILE 61 H ILE 61 -19.724 8.172 17.458 410 HA ILE 61 HA ILE 61 -18.896 6.286 15.497 411 HB ILE 61 HB ILE 61 -20.631 5.863 17.934 412 HG12 ILE 61 2HG1 ILE 61 -18.447 6.771 18.524 413 HG13 ILE 61 3HG1 ILE 61 -18.536 5.074 18.985 414 HG21 ILE 61 1HG2 ILE 61 -19.271 3.955 16.056 415 HG22 ILE 61 2HG2 ILE 61 -19.728 3.495 17.695 416 HG23 ILE 61 3HG2 ILE 61 -20.965 3.999 16.544 417 HD11 ILE 61 3HD1 ILE 61 -17.476 4.888 16.500 418 HD12 ILE 61 1HD1 ILE 61 -16.797 6.417 17.055 419 HD13 ILE 61 2HD1 ILE 61 -16.540 4.946 17.993 420 H GLU 62 H GLU 62 -22.038 7.557 16.504 421 HA GLU 62 HA GLU 62 -23.669 5.840 15.017 422 HB2 GLU 62 2HB GLU 62 -24.012 8.146 16.613 423 HB3 GLU 62 3HB GLU 62 -24.785 8.487 15.072 424 HG2 GLU 62 2HG GLU 62 -25.319 5.930 16.530 425 HG3 GLU 62 3HG GLU 62 -26.176 7.415 16.941 426 H ALA 63 H ALA 63 -22.081 8.867 14.127 427 HA ALA 63 HA ALA 63 -23.262 9.009 11.529 428 HB1 ALA 63 1HB ALA 63 -21.762 10.840 11.128 429 HB2 ALA 63 2HB ALA 63 -22.395 10.978 12.769 430 HB3 ALA 63 3HB ALA 63 -20.759 10.376 12.503 431 H ILE 64 H ILE 64 -19.968 8.211 12.645 432 HA ILE 64 HA ILE 64 -19.035 7.417 10.094 433 HB ILE 64 HB ILE 64 -17.967 6.593 12.796 434 HG12 ILE 64 2HG1 ILE 64 -17.060 8.883 11.046 435 HG13 ILE 64 3HG1 ILE 64 -18.162 9.078 12.404 436 HG21 ILE 64 1HG2 ILE 64 -16.720 5.242 11.505 437 HG22 ILE 64 2HG2 ILE 64 -17.095 6.137 10.033 438 HG23 ILE 64 3HG2 ILE 64 -15.836 6.719 11.122 439 HD11 ILE 64 3HD1 ILE 64 -16.073 7.715 13.526 440 HD12 ILE 64 1HD1 ILE 64 -15.271 8.773 12.366 441 HD13 ILE 64 2HD1 ILE 64 -16.328 9.458 13.601 442 H ASP 65 H ASP 65 -18.725 5.379 9.210 443 HA ASP 65 HA ASP 65 -20.253 3.204 10.484 444 HB2 ASP 65 2HB ASP 65 -20.642 4.401 7.952 445 HB3 ASP 65 3HB ASP 65 -19.968 2.801 7.654 446 H LYS 66 H LYS 66 -18.871 1.769 11.286 447 HA LYS 66 HA LYS 66 -16.194 1.472 10.640 448 HB2 LYS 66 2HB LYS 66 -17.576 0.505 12.615 449 HB3 LYS 66 3HB LYS 66 -17.847 -0.867 11.547 450 HG2 LYS 66 2HG LYS 66 -15.046 -0.020 11.794 451 HG3 LYS 66 3HG LYS 66 -15.778 -0.650 13.272 452 HD2 LYS 66 2HD LYS 66 -16.351 -2.215 10.854 453 HD3 LYS 66 3HD LYS 66 -14.650 -2.179 11.323 454 HE2 LYS 66 2HE LYS 66 -15.941 -4.067 12.311 455 HE3 LYS 66 3HE LYS 66 -15.165 -3.024 13.501 456 HZ1 LYS 66 3HZ LYS 66 -17.919 -2.400 12.747 457 HZ2 LYS 66 1HZ LYS 66 -17.145 -2.238 14.242 458 HZ3 LYS 66 2HZ LYS 66 -17.669 -3.759 13.722 459 H ASN 67 H ASN 67 -15.579 1.224 8.562 460 HA ASN 67 HA ASN 67 -15.676 -1.275 7.330 461 HB2 ASN 67 2HB ASN 67 -17.999 0.391 6.815 462 HB3 ASN 67 3HB ASN 67 -17.139 0.004 5.327 463 HD21 ASN 67 1HD2 ASN 67 -19.580 -0.957 7.207 464 HD22 ASN 67 2HD2 ASN 67 -19.589 -2.651 6.871 465 H VAL 68 H VAL 68 -16.147 1.902 5.806 466 HA VAL 68 HA VAL 68 -14.025 1.630 4.002 467 HB VAL 68 HB VAL 68 -14.272 3.981 3.527 468 HG11 VAL 68 1HG1 VAL 68 -16.284 3.745 2.564 469 HG12 VAL 68 2HG1 VAL 68 -16.256 2.131 3.277 470 HG13 VAL 68 3HG1 VAL 68 -17.094 3.447 4.102 471 HG21 VAL 68 3HG2 VAL 68 -14.316 5.063 5.590 472 HG22 VAL 68 1HG2 VAL 68 -15.956 5.281 4.980 473 HG23 VAL 68 2HG2 VAL 68 -15.626 4.053 6.201 474 HA PRO 69 HA PRO 69 -10.397 2.533 6.308 475 HB2 PRO 69 2HB PRO 69 -8.879 3.734 4.404 476 HB3 PRO 69 3HB PRO 69 -9.215 1.999 4.411 477 HG2 PRO 69 2HG PRO 69 -10.523 4.174 2.825 478 HG3 PRO 69 3HG PRO 69 -10.016 2.557 2.301 479 HD2 PRO 69 2HD PRO 69 -12.588 3.155 2.901 480 HD3 PRO 69 3HD PRO 69 -11.891 1.547 3.183 481 H CYS 70 H CYS 70 -11.461 4.103 7.701 482 HA CYS 70 HA CYS 70 -10.951 6.901 6.951 483 HB2 CYS 70 2HB CYS 70 -12.551 7.463 8.778 484 HB3 CYS 70 3HB CYS 70 -13.271 6.507 7.488 485 HG CYS 70 HG CYS 70 -12.616 5.613 10.693 486 H TYR 71 H TYR 71 -10.105 8.340 8.580 487 HA TYR 71 HA TYR 71 -8.460 6.954 10.594 488 HB2 TYR 71 2HB TYR 71 -7.654 9.526 9.249 489 HB3 TYR 71 3HB TYR 71 -6.650 8.421 10.181 490 HD1 TYR 71 HD1 TYR 71 -6.172 6.121 9.195 491 HD2 TYR 71 HD2 TYR 71 -7.821 9.314 6.919 492 HE1 TYR 71 HE1 TYR 71 -5.481 4.992 7.122 493 HE2 TYR 71 HE2 TYR 71 -7.137 8.194 4.840 494 HH TYR 71 HH TYR 71 -6.548 5.252 4.443 495 H ALA 72 H ALA 72 -8.585 7.670 12.635 496 HA ALA 72 HA ALA 72 -10.059 10.178 13.119 497 HB1 ALA 72 1HB ALA 72 -10.916 7.699 13.821 498 HB2 ALA 72 2HB ALA 72 -10.068 8.199 15.285 499 HB3 ALA 72 3HB ALA 72 -11.378 9.189 14.643 500 H ALA 73 H ALA 73 -8.826 11.711 13.964 501 HA ALA 73 HA ALA 73 -6.462 10.933 15.530 502 HB1 ALA 73 1HB ALA 73 -7.089 13.380 13.907 503 HB2 ALA 73 2HB ALA 73 -5.770 13.346 15.077 504 HB3 ALA 73 3HB ALA 73 -5.763 12.234 13.708 505 H PHE 74 H PHE 74 -6.324 11.423 17.630 506 HA PHE 74 HA PHE 74 -8.370 13.218 18.761 507 HB2 PHE 74 2HB PHE 74 -8.679 10.863 19.428 508 HB3 PHE 74 3HB PHE 74 -7.045 10.842 20.085 509 HD1 PHE 74 HD1 PHE 74 -9.584 13.531 20.359 510 HD2 PHE 74 HD2 PHE 74 -7.401 10.471 22.357 511 HE1 PHE 74 HE1 PHE 74 -10.447 14.331 22.519 512 HE2 PHE 74 HE2 PHE 74 -8.261 11.266 24.520 513 HZ PHE 74 HZ PHE 74 -9.787 13.198 24.604 514 H ASP 75 H ASP 75 -7.661 14.976 19.772 515 HA ASP 75 HA ASP 75 -4.789 15.226 20.289 516 HB2 ASP 75 2HB ASP 75 -5.508 17.042 18.994 517 HB3 ASP 75 3HB ASP 75 -7.010 17.212 19.898 518 H PHE 76 H PHE 76 -4.090 14.855 22.276 519 HA PHE 76 HA PHE 76 -5.796 15.644 24.541 520 HB2 PHE 76 2HB PHE 76 -5.461 13.066 23.952 521 HB3 PHE 76 3HB PHE 76 -3.973 13.310 24.860 522 HD1 PHE 76 HD1 PHE 76 -7.584 14.208 25.176 523 HD2 PHE 76 HD2 PHE 76 -4.057 12.778 27.082 524 HE1 PHE 76 HE1 PHE 76 -8.832 13.944 27.280 525 HE2 PHE 76 HE2 PHE 76 -5.300 12.510 29.188 526 HZ PHE 76 HZ PHE 76 -7.690 13.093 29.290 527 H GLU 77 H GLU 77 -4.383 15.566 26.646 528 HA GLU 77 HA GLU 77 -1.799 16.849 26.042 529 HB2 GLU 77 2HB GLU 77 -2.253 18.097 28.259 530 HB3 GLU 77 3HB GLU 77 -3.093 18.627 26.809 531 HG2 GLU 77 2HG GLU 77 -5.117 17.987 27.575 532 HG3 GLU 77 3HG GLU 77 -4.470 16.603 28.455 533 H TYR 78 H TYR 78 -0.078 16.446 27.440 534 HA TYR 78 HA TYR 78 -0.471 14.572 29.636 535 HB2 TYR 78 2HB TYR 78 0.244 13.596 27.153 536 HB3 TYR 78 3HB TYR 78 1.795 13.774 27.966 537 HD1 TYR 78 HD2 TYR 78 -1.560 12.219 28.282 538 HD2 TYR 78 HD1 TYR 78 2.490 12.216 29.586 539 HE1 TYR 78 HE2 TYR 78 -1.953 10.106 29.478 540 HE2 TYR 78 HE1 TYR 78 2.109 10.103 30.785 541 HH TYR 78 HH TYR 78 -0.136 8.953 31.820 542 H THR 79 H THR 79 1.726 14.135 30.725 543 HA THR 79 HA THR 79 3.314 16.620 30.697 544 HB THR 79 HB THR 79 2.013 16.565 32.733 545 HG1 THR 79 HG1 THR 79 3.748 16.663 34.201 546 HG21 THR 79 3HG2 THR 79 1.431 14.643 33.694 547 HG22 THR 79 1HG2 THR 79 3.116 14.346 34.120 548 HG23 THR 79 2HG2 THR 79 2.479 13.760 32.583 549 H THR 80 H THR 80 4.170 14.731 29.029 550 HA THR 80 HA THR 80 5.963 12.861 30.266 551 HB THR 80 HB THR 80 4.970 12.315 28.112 552 HG1 THR 80 HG1 THR 80 7.088 11.984 26.963 553 HG21 THR 80 3HG2 THR 80 5.220 14.887 27.432 554 HG22 THR 80 1HG2 THR 80 5.079 13.600 26.235 555 HG23 THR 80 2HG2 THR 80 6.665 14.255 26.643 556 H ASN 81 H ASN 81 6.280 15.981 28.631 557 HA ASN 81 HA ASN 81 9.147 16.004 28.839 558 HB2 ASN 81 2HB ASN 81 7.758 17.180 27.050 559 HB3 ASN 81 3HB ASN 81 7.380 18.383 28.279 560 HD21 ASN 81 1HD2 ASN 81 10.307 16.632 27.293 561 HD22 ASN 81 2HD2 ASN 81 11.295 18.039 27.123 562 H ASP 82 H ASP 82 6.441 17.351 30.629 563 HA ASP 82 HA ASP 82 7.770 17.520 33.057 564 HB2 ASP 82 2HB ASP 82 8.458 19.673 31.290 565 HB3 ASP 82 3HB ASP 82 7.546 20.314 32.655 566 H GLY 83 H GLY 83 5.392 19.125 30.984 567 HA2 GLY 83 2HA GLY 83 3.235 18.476 32.702 568 HA3 GLY 83 3HA GLY 83 3.704 20.152 32.944 569 HA PRO 84 HA PRO 84 1.267 21.400 29.527 570 HB2 PRO 84 2HB PRO 84 2.754 23.402 28.454 571 HB3 PRO 84 3HB PRO 84 1.895 23.560 29.991 572 HG2 PRO 84 2HG PRO 84 4.786 22.967 29.490 573 HG3 PRO 84 3HG PRO 84 4.058 24.059 30.683 574 HD2 PRO 84 2HD PRO 84 4.946 21.583 31.324 575 HD3 PRO 84 3HD PRO 84 3.562 22.341 32.138 576 H ARG 85 H ARG 85 1.904 19.186 28.577 577 HA ARG 85 HA ARG 85 3.403 19.621 26.076 578 HB2 ARG 85 2HB ARG 85 4.218 17.927 27.959 579 HB3 ARG 85 3HB ARG 85 3.056 16.871 27.167 580 HG2 ARG 85 2HG ARG 85 5.252 16.497 26.258 581 HG3 ARG 85 3HG ARG 85 4.220 17.232 25.029 582 HD2 ARG 85 2HD ARG 85 5.243 19.360 25.331 583 HD3 ARG 85 3HD ARG 85 6.099 18.811 26.771 584 HE ARG 85 HE ARG 85 6.855 17.214 24.588 585 HH11 ARG 85 1HH1 ARG 85 7.207 20.464 25.786 586 HH12 ARG 85 2HH1 ARG 85 8.736 20.723 25.013 587 HH21 ARG 85 1HH2 ARG 85 8.868 17.542 23.567 588 HH22 ARG 85 2HH2 ARG 85 9.680 19.060 23.751 589 H ASP 86 H ASP 86 2.595 18.665 24.182 590 HA ASP 86 HA ASP 86 -0.246 17.899 24.340 591 HB2 ASP 86 2HB ASP 86 -0.170 18.631 21.836 592 HB3 ASP 86 3HB ASP 86 -0.254 19.860 23.095 593 H LYS 87 H LYS 87 -0.893 16.010 23.477 594 HA LYS 87 HA LYS 87 1.053 14.474 21.890 595 HB2 LYS 87 2HB LYS 87 -0.645 13.495 24.188 596 HB3 LYS 87 3HB LYS 87 0.161 12.417 23.055 597 HG2 LYS 87 2HG LYS 87 1.829 14.473 24.378 598 HG3 LYS 87 3HG LYS 87 1.240 13.139 25.374 599 HD2 LYS 87 2HD LYS 87 3.308 12.395 24.564 600 HD3 LYS 87 3HD LYS 87 2.120 11.608 23.521 601 HE2 LYS 87 2HE LYS 87 2.870 12.667 21.701 602 HE3 LYS 87 3HE LYS 87 2.941 14.220 22.532 603 HZ1 LYS 87 3HZ LYS 87 4.983 12.275 23.249 604 HZ2 LYS 87 1HZ LYS 87 5.106 13.950 23.043 605 HZ3 LYS 87 2HZ LYS 87 5.093 12.931 21.693 606 H LEU 88 H LEU 88 0.272 13.764 20.017 607 HA LEU 88 HA LEU 88 -2.643 13.796 19.626 608 HB2 LEU 88 2HB LEU 88 -0.718 15.067 18.191 609 HB3 LEU 88 3HB LEU 88 -0.906 13.579 17.267 610 HG LEU 88 HG LEU 88 -3.062 15.598 17.881 611 HD11 LEU 88 1HD1 LEU 88 -2.427 14.911 15.111 612 HD12 LEU 88 2HD1 LEU 88 -1.121 15.724 15.972 613 HD13 LEU 88 3HD1 LEU 88 -2.708 16.484 15.858 614 HD21 LEU 88 3HD2 LEU 88 -4.359 13.747 17.765 615 HD22 LEU 88 1HD2 LEU 88 -3.150 12.819 16.877 616 HD23 LEU 88 2HD2 LEU 88 -4.150 14.000 16.031 617 H ILE 89 H ILE 89 -3.711 11.998 19.006 618 HA ILE 89 HA ILE 89 -2.103 9.562 18.591 619 HB ILE 89 HB ILE 89 -4.954 9.463 19.496 620 HG12 ILE 89 2HG1 ILE 89 -3.949 10.979 21.084 621 HG13 ILE 89 3HG1 ILE 89 -4.121 9.404 21.851 622 HG21 ILE 89 1HG2 ILE 89 -4.440 7.300 19.294 623 HG22 ILE 89 2HG2 ILE 89 -2.712 7.634 19.193 624 HG23 ILE 89 3HG2 ILE 89 -3.495 7.508 20.768 625 HD11 ILE 89 3HD1 ILE 89 -1.771 10.986 21.447 626 HD12 ILE 89 1HD1 ILE 89 -1.984 9.516 22.397 627 HD13 ILE 89 2HD1 ILE 89 -1.582 9.407 20.683 628 H LEU 90 H LEU 90 -2.756 8.080 17.016 629 HA LEU 90 HA LEU 90 -4.834 9.006 15.152 630 HB2 LEU 90 2HB LEU 90 -2.472 9.486 14.386 631 HB3 LEU 90 3HB LEU 90 -2.246 7.741 14.284 632 HG LEU 90 HG LEU 90 -4.594 8.532 12.818 633 HD11 LEU 90 1HD1 LEU 90 -3.679 10.661 12.439 634 HD12 LEU 90 2HD1 LEU 90 -3.267 9.720 11.006 635 HD13 LEU 90 3HD1 LEU 90 -2.047 10.019 12.244 636 HD21 LEU 90 3HD2 LEU 90 -2.133 7.574 11.478 637 HD22 LEU 90 1HD2 LEU 90 -3.802 7.023 11.322 638 HD23 LEU 90 2HD2 LEU 90 -2.837 6.529 12.713 639 H ILE 91 H ILE 91 -6.366 7.528 14.943 640 HA ILE 91 HA ILE 91 -5.637 4.689 15.257 641 HB ILE 91 HB ILE 91 -8.281 5.999 15.903 642 HG12 ILE 91 2HG1 ILE 91 -7.430 4.872 18.214 643 HG13 ILE 91 3HG1 ILE 91 -5.884 5.318 17.499 644 HG21 ILE 91 1HG2 ILE 91 -9.164 3.973 15.697 645 HG22 ILE 91 2HG2 ILE 91 -7.585 3.275 15.342 646 HG23 ILE 91 3HG2 ILE 91 -8.125 3.429 17.013 647 HD11 ILE 91 3HD1 ILE 91 -6.377 7.187 18.718 648 HD12 ILE 91 1HD1 ILE 91 -7.048 7.626 17.148 649 HD13 ILE 91 2HD1 ILE 91 -8.112 7.052 18.432 650 H SER 92 H SER 92 -5.922 3.445 13.533 651 HA SER 92 HA SER 92 -7.506 4.489 11.295 652 HB2 SER 92 2HB SER 92 -4.988 3.579 11.227 653 HB3 SER 92 3HB SER 92 -5.829 2.049 10.979 654 HG SER 92 HG SER 92 -6.456 2.694 9.060 655 H TRP 93 H TRP 93 -9.230 3.419 10.462 656 HA TRP 93 HA TRP 93 -10.153 1.068 11.968 657 HB2 TRP 93 2HB TRP 93 -11.519 3.390 10.742 658 HB3 TRP 93 3HB TRP 93 -12.346 1.843 10.587 659 HD1 TRP 93 HD1 TRP 93 -10.348 2.360 13.755 660 HE1 TRP 93 HE1 TRP 93 -11.962 2.676 15.735 661 HE3 TRP 93 HE3 TRP 93 -14.732 2.817 11.164 662 HZ2 TRP 93 HZ2 TRP 93 -14.728 3.066 16.144 663 HZ3 TRP 93 HZ3 TRP 93 -16.817 3.159 12.425 664 HH2 TRP 93 HH2 TRP 93 -16.813 3.280 14.863 665 H ASN 94 H ASN 94 -9.867 -0.815 10.987 666 HA ASN 94 HA ASN 94 -10.707 -1.220 8.273 667 HB2 ASN 94 2HB ASN 94 -8.491 -0.358 7.806 668 HB3 ASN 94 3HB ASN 94 -7.774 -1.467 8.971 669 HD21 ASN 94 1HD2 ASN 94 -10.253 -2.029 6.516 670 HD22 ASN 94 2HD2 ASN 94 -9.367 -3.230 5.646 671 HA PRO 95 HA PRO 95 -11.298 -4.867 10.985 672 HB2 PRO 95 2HB PRO 95 -13.683 -5.554 9.884 673 HB3 PRO 95 3HB PRO 95 -13.529 -4.346 11.166 674 HG2 PRO 95 2HG PRO 95 -13.810 -3.949 8.212 675 HG3 PRO 95 3HG PRO 95 -14.600 -3.077 9.538 676 HD2 PRO 95 2HD PRO 95 -12.459 -2.082 8.211 677 HD3 PRO 95 3HD PRO 95 -12.757 -1.748 9.929 678 H ASP 96 H ASP 96 -10.517 -6.821 10.500 679 HA ASP 96 HA ASP 96 -9.543 -7.502 7.977 680 HB2 ASP 96 2HB ASP 96 -8.905 -9.549 8.908 681 HB3 ASP 96 3HB ASP 96 -8.961 -8.477 10.304 682 H SER 97 H SER 97 -12.702 -7.816 9.314 683 HA SER 97 HA SER 97 -13.529 -9.638 7.169 684 HB2 SER 97 2HB SER 97 -14.752 -8.848 9.799 685 HB3 SER 97 3HB SER 97 -15.743 -9.570 8.532 686 HG SER 97 HG SER 97 -13.606 -10.686 9.977 687 H GLY 98 H GLY 98 -12.998 -6.564 7.204 688 HA2 GLY 98 2HA GLY 98 -15.554 -5.440 6.507 689 HA3 GLY 98 3HA GLY 98 -13.992 -4.648 6.369 690 H ALA 99 H ALA 99 -13.219 -4.318 4.390 691 HA ALA 99 HA ALA 99 -14.132 -6.055 2.204 692 HB1 ALA 99 1HB ALA 99 -15.467 -4.385 1.533 693 HB2 ALA 99 2HB ALA 99 -14.633 -3.187 2.524 694 HB3 ALA 99 3HB ALA 99 -13.976 -3.643 0.952 695 HA PRO 100 HA PRO 100 -9.963 -6.093 0.836 696 HB2 PRO 100 2HB PRO 100 -10.243 -6.108 -1.864 697 HB3 PRO 100 3HB PRO 100 -10.633 -7.502 -0.851 698 HG2 PRO 100 2HG PRO 100 -12.461 -5.442 -2.023 699 HG3 PRO 100 3HG PRO 100 -12.672 -7.200 -1.927 700 HD2 PRO 100 2HD PRO 100 -13.880 -5.491 -0.209 701 HD3 PRO 100 3HD PRO 100 -13.368 -7.122 0.269 702 H ARG 101 H ARG 101 -12.031 -3.651 -0.669 703 HA ARG 101 HA ARG 101 -9.916 -2.065 -1.703 704 HB2 ARG 101 2HB ARG 101 -11.649 -0.320 -1.963 705 HB3 ARG 101 3HB ARG 101 -12.154 -1.875 -2.611 706 HG2 ARG 101 2HG ARG 101 -14.010 -1.680 -1.422 707 HG3 ARG 101 3HG ARG 101 -13.031 -1.874 0.034 708 HD2 ARG 101 2HD ARG 101 -13.004 0.371 0.480 709 HD3 ARG 101 3HD ARG 101 -13.178 0.819 -1.216 710 HE ARG 101 HE ARG 101 -15.537 -0.435 -0.387 711 HH11 ARG 101 1HH1 ARG 101 -13.740 2.489 0.197 712 HH12 ARG 101 2HH1 ARG 101 -15.143 3.428 0.589 713 HH21 ARG 101 1HH2 ARG 101 -17.391 0.790 0.127 714 HH22 ARG 101 2HH2 ARG 101 -17.219 2.460 0.550 715 H THR 102 H THR 102 -11.591 -2.186 1.368 716 HA THR 102 HA THR 102 -10.571 0.294 2.356 717 HB THR 102 HB THR 102 -11.518 -0.291 4.461 718 HG1 THR 102 HG1 THR 102 -12.316 -2.521 4.738 719 HG21 THR 102 3HG2 THR 102 -13.336 -1.642 2.479 720 HG22 THR 102 1HG2 THR 102 -13.081 0.102 2.486 721 HG23 THR 102 2HG2 THR 102 -13.776 -0.693 3.899 722 H LYS 103 H LYS 103 -9.713 -3.116 2.880 723 HA LYS 103 HA LYS 103 -7.548 -2.562 4.633 724 HB2 LYS 103 2HB LYS 103 -6.915 -4.927 4.221 725 HB3 LYS 103 3HB LYS 103 -8.605 -4.734 4.670 726 HG2 LYS 103 2HG LYS 103 -8.857 -6.178 2.943 727 HG3 LYS 103 3HG LYS 103 -8.910 -4.662 2.040 728 HD2 LYS 103 2HD LYS 103 -7.082 -5.217 0.898 729 HD3 LYS 103 3HD LYS 103 -6.187 -5.520 2.389 730 HE2 LYS 103 2HE LYS 103 -7.233 -7.771 2.489 731 HE3 LYS 103 3HE LYS 103 -7.978 -7.455 0.924 732 HZ1 LYS 103 3HZ LYS 103 -5.063 -7.196 1.235 733 HZ2 LYS 103 1HZ LYS 103 -5.964 -7.547 -0.154 734 HZ3 LYS 103 2HZ LYS 103 -5.752 -8.728 1.038 735 H MET 104 H MET 104 -7.837 -2.941 1.154 736 HA MET 104 HA MET 104 -5.040 -3.058 0.633 737 HB2 MET 104 2HB MET 104 -6.790 -3.888 -0.932 738 HB3 MET 104 3HB MET 104 -7.266 -2.222 -1.233 739 HG2 MET 104 2HG MET 104 -4.460 -2.452 -1.637 740 HG3 MET 104 3HG MET 104 -5.270 -3.741 -2.522 741 HE1 MET 104 3HE MET 104 -7.615 -3.191 -3.418 742 HE2 MET 104 1HE MET 104 -8.057 -1.703 -4.256 743 HE3 MET 104 2HE MET 104 -6.978 -2.863 -5.030 744 H LEU 105 H LEU 105 -7.453 -0.454 0.432 745 HA LEU 105 HA LEU 105 -5.689 1.556 -0.434 746 HB2 LEU 105 2HB LEU 105 -8.353 1.537 0.915 747 HB3 LEU 105 3HB LEU 105 -7.476 3.057 0.745 748 HG LEU 105 HG LEU 105 -8.202 1.281 -1.579 749 HD11 LEU 105 1HD1 LEU 105 -9.633 3.819 -1.185 750 HD12 LEU 105 2HD1 LEU 105 -10.044 2.532 -0.052 751 HD13 LEU 105 3HD1 LEU 105 -10.212 2.266 -1.787 752 HD21 LEU 105 3HD2 LEU 105 -7.330 4.165 -1.446 753 HD22 LEU 105 1HD2 LEU 105 -7.709 3.251 -2.906 754 HD23 LEU 105 2HD2 LEU 105 -6.310 2.808 -1.928 755 H TYR 106 H TYR 106 -6.385 0.251 2.722 756 HA TYR 106 HA TYR 106 -5.407 2.314 4.334 757 HB2 TYR 106 2HB TYR 106 -6.614 0.521 5.354 758 HB3 TYR 106 3HB TYR 106 -5.474 -0.676 4.749 759 HD1 TYR 106 HD2 TYR 106 -5.338 2.462 6.789 760 HD2 TYR 106 HD1 TYR 106 -4.060 -1.570 6.325 761 HE1 TYR 106 HE2 TYR 106 -4.056 2.634 8.881 762 HE2 TYR 106 HE1 TYR 106 -2.775 -1.410 8.417 763 HH TYR 106 HH TYR 106 -2.822 1.548 10.378 764 H SER 107 H SER 107 -3.735 -0.381 2.772 765 HA SER 107 HA SER 107 -1.188 0.236 3.917 766 HB2 SER 107 2HB SER 107 -1.760 -2.040 3.157 767 HB3 SER 107 3HB SER 107 -1.859 -1.456 1.495 768 HG SER 107 HG SER 107 0.174 -2.379 1.914 769 H SER 108 H SER 108 -2.762 0.888 0.819 770 HA SER 108 HA SER 108 -0.523 2.090 -0.425 771 HB2 SER 108 2HB SER 108 -3.355 1.708 -1.022 772 HB3 SER 108 3HB SER 108 -2.744 3.254 -1.609 773 HG SER 108 HG SER 108 -2.497 1.454 -3.089 774 H SER 109 H SER 109 -2.842 3.226 1.868 775 HA SER 109 HA SER 109 -2.091 6.018 1.421 776 HB2 SER 109 2HB SER 109 -4.521 5.122 1.841 777 HB3 SER 109 3HB SER 109 -4.030 5.142 3.535 778 HG SER 109 HG SER 109 -4.575 7.170 3.417 779 H ARG 110 H ARG 110 -1.553 3.376 3.582 780 HA ARG 110 HA ARG 110 -0.760 4.766 5.887 781 HB2 ARG 110 2HB ARG 110 -0.631 2.046 4.888 782 HB3 ARG 110 3HB ARG 110 0.824 2.469 5.781 783 HG2 ARG 110 2HG ARG 110 -0.941 3.392 7.518 784 HG3 ARG 110 3HG ARG 110 -1.975 2.201 6.724 785 HD2 ARG 110 2HD ARG 110 0.752 1.585 7.849 786 HD3 ARG 110 3HD ARG 110 -0.753 1.356 8.738 787 HE ARG 110 HE ARG 110 -0.996 0.015 6.310 788 HH11 ARG 110 1HH1 ARG 110 0.918 -0.155 9.213 789 HH12 ARG 110 2HH1 ARG 110 1.161 -1.867 9.109 790 HH21 ARG 110 1HH2 ARG 110 -0.685 -2.239 6.162 791 HH22 ARG 110 2HH2 ARG 110 0.249 -3.052 7.372 792 H ASP 111 H ASP 111 1.042 3.771 3.017 793 HA ASP 111 HA ASP 111 3.613 4.441 3.909 794 HB2 ASP 111 2HB ASP 111 2.537 3.396 1.593 795 HB3 ASP 111 3HB ASP 111 3.158 4.957 1.065 796 H ALA 112 H ALA 112 1.150 6.375 2.259 797 HA ALA 112 HA ALA 112 2.814 8.721 2.157 798 HB1 ALA 112 1HB ALA 112 -0.152 8.794 1.796 799 HB2 ALA 112 2HB ALA 112 1.100 9.735 0.984 800 HB3 ALA 112 3HB ALA 112 0.871 8.034 0.576 801 H LEU 113 H LEU 113 0.617 7.315 4.409 802 HA LEU 113 HA LEU 113 0.105 9.773 5.840 803 HB2 LEU 113 2HB LEU 113 -0.786 6.979 5.978 804 HB3 LEU 113 3HB LEU 113 -0.652 7.787 7.538 805 HG LEU 113 HG LEU 113 -2.171 9.109 5.332 806 HD11 LEU 113 1HD1 LEU 113 -2.788 6.551 5.910 807 HD12 LEU 113 2HD1 LEU 113 -3.975 7.769 5.447 808 HD13 LEU 113 3HD1 LEU 113 -3.721 7.390 7.150 809 HD21 LEU 113 3HD2 LEU 113 -3.512 9.444 7.682 810 HD22 LEU 113 1HD2 LEU 113 -2.308 10.558 7.035 811 HD23 LEU 113 2HD2 LEU 113 -1.839 9.349 8.231 812 H VAL 114 H VAL 114 2.420 7.212 5.904 813 HA VAL 114 HA VAL 114 3.299 7.242 8.530 814 HB VAL 114 HB VAL 114 4.605 6.637 5.926 815 HG11 VAL 114 1HG1 VAL 114 6.448 7.736 6.824 816 HG12 VAL 114 2HG1 VAL 114 6.069 7.231 8.472 817 HG13 VAL 114 3HG1 VAL 114 6.701 6.061 7.313 818 HG21 VAL 114 3HG2 VAL 114 4.155 4.555 6.564 819 HG22 VAL 114 1HG2 VAL 114 5.062 4.775 8.060 820 HG23 VAL 114 2HG2 VAL 114 3.353 5.206 7.993 821 HA PRO 115 HA PRO 115 6.339 10.828 7.375 822 HB2 PRO 115 2HB PRO 115 5.862 12.142 5.048 823 HB3 PRO 115 3HB PRO 115 6.914 10.726 5.153 824 HG2 PRO 115 2HG PRO 115 4.059 10.903 4.271 825 HG3 PRO 115 3HG PRO 115 5.396 9.986 3.554 826 HD2 PRO 115 2HD PRO 115 3.532 8.839 5.147 827 HD3 PRO 115 3HD PRO 115 5.215 8.279 5.092 828 H LEU 116 H LEU 116 2.986 11.151 6.316 829 HA LEU 116 HA LEU 116 2.704 13.901 6.906 830 HB2 LEU 116 2HB LEU 116 1.157 11.991 5.711 831 HB3 LEU 116 3HB LEU 116 0.303 12.257 7.229 832 HG LEU 116 HG LEU 116 -0.619 13.619 5.426 833 HD11 LEU 116 1HD1 LEU 116 0.006 14.441 7.964 834 HD12 LEU 116 2HD1 LEU 116 -1.061 15.286 6.843 835 HD13 LEU 116 3HD1 LEU 116 0.635 15.753 6.967 836 HD21 LEU 116 3HD2 LEU 116 1.643 13.804 4.250 837 HD22 LEU 116 1HD2 LEU 116 1.968 15.141 5.353 838 HD23 LEU 116 2HD2 LEU 116 0.602 15.228 4.241 839 H THR 117 H THR 117 1.882 10.980 8.757 840 HA THR 117 HA THR 117 1.582 12.671 11.151 841 HB THR 117 HB THR 117 0.331 10.744 12.131 842 HG1 THR 117 HG1 THR 117 0.951 9.007 10.932 843 HG21 THR 117 3HG2 THR 117 -1.594 10.980 10.273 844 HG22 THR 117 1HG2 THR 117 -0.565 12.330 9.799 845 HG23 THR 117 2HG2 THR 117 -1.218 12.252 11.435 846 H GLN 118 H GLN 118 4.108 12.400 10.773 847 HA GLN 118 HA GLN 118 5.157 9.932 11.867 848 HB2 GLN 118 2HB GLN 118 7.362 11.028 11.571 849 HB3 GLN 118 3HB GLN 118 6.410 10.992 10.093 850 HG2 GLN 118 2HG GLN 118 6.786 13.161 9.897 851 HG3 GLN 118 3HG GLN 118 5.744 13.404 11.299 852 HE21 GLN 118 1HE2 GLN 118 6.748 15.017 12.331 853 HE22 GLN 118 2HE2 GLN 118 8.378 14.964 12.900 854 H GLY 119 H GLY 119 5.428 9.559 13.962 855 HA2 GLY 119 2HA GLY 119 6.495 10.322 16.038 856 HA3 GLY 119 3HA GLY 119 5.737 11.883 15.760 857 H PHE 120 H PHE 120 3.165 11.045 15.062 858 HA PHE 120 HA PHE 120 2.062 10.593 17.648 859 HB2 PHE 120 2HB PHE 120 0.571 10.397 15.032 860 HB3 PHE 120 3HB PHE 120 -0.070 10.829 16.614 861 HD1 PHE 120 HD2 PHE 120 1.868 12.812 17.543 862 HD2 PHE 120 HD1 PHE 120 0.177 12.229 13.681 863 HE1 PHE 120 HE2 PHE 120 2.219 15.193 17.034 864 HE2 PHE 120 HE1 PHE 120 0.527 14.609 13.165 865 HZ PHE 120 HZ PHE 120 1.548 16.095 14.843 866 H GLN 121 H GLN 121 0.785 8.835 18.357 867 HA GLN 121 HA GLN 121 1.813 6.282 17.591 868 HB2 GLN 121 2HB GLN 121 -0.461 7.003 19.447 869 HB3 GLN 121 3HB GLN 121 0.245 5.400 19.288 870 HG2 GLN 121 2HG GLN 121 1.275 6.237 21.175 871 HG3 GLN 121 3HG GLN 121 2.460 6.553 19.908 872 HE21 GLN 121 1HE2 GLN 121 0.058 7.966 22.005 873 HE22 GLN 121 2HE2 GLN 121 0.595 9.601 21.847 874 H GLY 122 H GLY 122 1.235 5.469 15.667 875 HA2 GLY 122 2HA GLY 122 -1.561 5.723 14.802 876 HA3 GLY 122 3HA GLY 122 -0.202 5.294 13.773 877 H ILE 123 H ILE 123 -2.875 4.122 15.358 878 HA ILE 123 HA ILE 123 -1.890 1.363 15.085 879 HB ILE 123 HB ILE 123 -3.777 2.242 17.267 880 HG12 ILE 123 2HG1 ILE 123 -1.438 1.416 18.486 881 HG13 ILE 123 3HG1 ILE 123 -0.858 2.353 17.113 882 HG21 ILE 123 1HG2 ILE 123 -4.113 -0.039 16.770 883 HG22 ILE 123 2HG2 ILE 123 -2.382 -0.339 16.617 884 HG23 ILE 123 3HG2 ILE 123 -3.082 -0.009 18.201 885 HD11 ILE 123 3HD1 ILE 123 -2.476 3.231 19.456 886 HD12 ILE 123 1HD1 ILE 123 -1.016 3.940 18.767 887 HD13 ILE 123 2HD1 ILE 123 -2.562 4.123 17.937 888 H GLN 124 H GLN 124 -3.233 -0.026 14.068 889 HA GLN 124 HA GLN 124 -5.820 1.050 13.173 890 HB2 GLN 124 2HB GLN 124 -5.608 -0.757 11.390 891 HB3 GLN 124 3HB GLN 124 -4.491 0.597 11.278 892 HG2 GLN 124 2HG GLN 124 -2.676 -0.671 11.782 893 HG3 GLN 124 3HG GLN 124 -3.598 -1.793 12.782 894 HE21 GLN 124 1HE2 GLN 124 -1.715 -2.626 10.922 895 HE22 GLN 124 2HE2 GLN 124 -2.521 -3.474 9.652 896 H ALA 125 H ALA 125 -7.531 0.270 14.194 897 HA ALA 125 HA ALA 125 -7.735 -2.588 14.702 898 HB1 ALA 125 1HB ALA 125 -6.969 -2.212 16.811 899 HB2 ALA 125 2HB ALA 125 -7.519 -0.536 16.834 900 HB3 ALA 125 3HB ALA 125 -8.675 -1.847 17.069 901 H ASN 126 H ASN 126 -9.758 -3.328 14.402 902 HA ASN 126 HA ASN 126 -11.834 -1.352 13.807 903 HB2 ASN 126 2HB ASN 126 -12.909 -3.013 12.514 904 HB3 ASN 126 3HB ASN 126 -11.192 -3.219 12.180 905 HD21 ASN 126 1HD2 ASN 126 -14.034 -4.638 13.423 906 HD22 ASN 126 2HD2 ASN 126 -13.360 -6.171 13.845 907 H ASP 127 H ASP 127 -14.021 -1.707 14.556 908 HA ASP 127 HA ASP 127 -15.588 -2.075 16.165 909 HB2 ASP 127 2HB ASP 127 -14.448 -4.534 15.726 910 HB3 ASP 127 3HB ASP 127 -14.251 -4.341 17.466 911 H ALA 128 H ALA 128 -15.352 -3.045 18.786 912 HA ALA 128 HA ALA 128 -14.597 -0.796 20.201 913 HB1 ALA 128 1HB ALA 128 -14.515 -3.586 21.328 914 HB2 ALA 128 2HB ALA 128 -14.848 -2.079 22.183 915 HB3 ALA 128 3HB ALA 128 -16.013 -2.707 21.017 916 H SER 129 H SER 129 -12.634 -3.396 19.015 917 HA SER 129 HA SER 129 -10.419 -3.184 20.710 918 HB2 SER 129 2HB SER 129 -10.045 -3.759 17.795 919 HB3 SER 129 3HB SER 129 -9.297 -4.533 19.191 920 HG SER 129 HG SER 129 -10.826 -5.955 19.116 921 H GLY 130 H GLY 130 -11.547 -1.114 18.184 922 HA2 GLY 130 2HA GLY 130 -8.998 0.364 18.198 923 HA3 GLY 130 3HA GLY 130 -10.229 0.479 16.949 924 H LEU 131 H LEU 131 -11.350 0.439 20.189 925 HA LEU 131 HA LEU 131 -11.451 3.362 20.317 926 HB2 LEU 131 2HB LEU 131 -13.881 1.642 20.767 927 HB3 LEU 131 3HB LEU 131 -13.799 3.402 20.774 928 HG LEU 131 HG LEU 131 -13.371 1.663 18.346 929 HD11 LEU 131 1HD1 LEU 131 -15.782 2.687 19.621 930 HD12 LEU 131 2HD1 LEU 131 -15.592 1.455 18.374 931 HD13 LEU 131 3HD1 LEU 131 -15.629 3.161 17.929 932 HD21 LEU 131 3HD2 LEU 131 -14.000 4.552 18.180 933 HD22 LEU 131 1HD2 LEU 131 -12.995 3.546 17.137 934 HD23 LEU 131 2HD2 LEU 131 -12.369 4.110 18.687 935 H ASP 132 H ASP 132 -10.032 1.181 21.757 936 HA ASP 132 HA ASP 132 -11.217 1.094 24.385 937 HB2 ASP 132 2HB ASP 132 -9.017 -0.216 22.997 938 HB3 ASP 132 3HB ASP 132 -8.582 0.251 24.639 939 H PHE 133 H PHE 133 -11.222 2.894 25.567 940 HA PHE 133 HA PHE 133 -9.613 5.116 25.288 941 HB2 PHE 133 2HB PHE 133 -10.812 4.120 27.880 942 HB3 PHE 133 3HB PHE 133 -10.345 5.777 27.513 943 HD1 PHE 133 HD1 PHE 133 -11.502 6.778 25.357 944 HD2 PHE 133 HD2 PHE 133 -13.018 3.537 27.662 945 HE1 PHE 133 HE1 PHE 133 -13.761 7.222 24.490 946 HE2 PHE 133 HE2 PHE 133 -15.279 3.975 26.797 947 HZ PHE 133 HZ PHE 133 -15.653 5.820 25.208 948 H GLU 134 H GLU 134 -9.138 2.328 27.432 949 HA GLU 134 HA GLU 134 -6.856 3.222 28.758 950 HB2 GLU 134 2HB GLU 134 -8.069 0.569 28.196 951 HB3 GLU 134 3HB GLU 134 -6.389 0.583 28.716 952 HG2 GLU 134 2HG GLU 134 -7.027 1.844 30.716 953 HG3 GLU 134 3HG GLU 134 -8.711 1.794 30.200 954 H GLU 135 H GLU 135 -7.245 1.825 25.578 955 HA GLU 135 HA GLU 135 -4.519 1.210 25.110 956 HB2 GLU 135 2HB GLU 135 -6.638 0.454 23.816 957 HB3 GLU 135 3HB GLU 135 -6.443 1.959 22.929 958 HG2 GLU 135 2HG GLU 135 -4.334 1.298 22.086 959 HG3 GLU 135 3HG GLU 135 -4.251 -0.077 23.187 960 H ILE 136 H ILE 136 -6.507 4.057 24.426 961 HA ILE 136 HA ILE 136 -4.503 5.488 23.022 962 HB ILE 136 HB ILE 136 -6.913 6.538 24.511 963 HG12 ILE 136 2HG1 ILE 136 -6.558 6.026 21.552 964 HG13 ILE 136 3HG1 ILE 136 -7.357 4.908 22.651 965 HG21 ILE 136 1HG2 ILE 136 -4.724 7.903 23.288 966 HG22 ILE 136 2HG2 ILE 136 -6.191 8.213 22.361 967 HG23 ILE 136 3HG2 ILE 136 -6.146 8.576 24.086 968 HD11 ILE 136 3HD1 ILE 136 -8.846 6.958 23.219 969 HD12 ILE 136 1HD1 ILE 136 -8.259 7.573 21.674 970 HD13 ILE 136 2HD1 ILE 136 -9.131 6.041 21.740 971 H SER 137 H SER 137 -5.613 5.604 26.396 972 HA SER 137 HA SER 137 -3.897 7.648 27.257 973 HB2 SER 137 2HB SER 137 -5.556 5.569 28.546 974 HB3 SER 137 3HB SER 137 -4.214 6.173 29.517 975 HG SER 137 HG SER 137 -5.090 8.144 29.540 976 H ARG 138 H ARG 138 -3.467 4.143 27.117 977 HA ARG 138 HA ARG 138 -0.947 4.112 28.429 978 HB2 ARG 138 2HB ARG 138 -2.549 2.156 28.094 979 HB3 ARG 138 3HB ARG 138 -1.925 2.057 26.453 980 HG2 ARG 138 2HG ARG 138 0.238 2.150 28.342 981 HG3 ARG 138 3HG ARG 138 -0.887 0.852 28.745 982 HD2 ARG 138 2HD ARG 138 0.048 1.232 25.927 983 HD3 ARG 138 3HD ARG 138 1.062 0.387 27.097 984 HE ARG 138 HE ARG 138 -1.447 -0.767 27.250 985 HH11 ARG 138 1HH1 ARG 138 1.048 -0.357 24.857 986 HH12 ARG 138 2HH1 ARG 138 0.659 -1.818 24.012 987 HH21 ARG 138 1HH2 ARG 138 -1.969 -2.694 26.146 988 HH22 ARG 138 2HH2 ARG 138 -1.057 -3.146 24.745 989 H LYS 139 H LYS 139 -1.954 4.388 25.071 990 HA LYS 139 HA LYS 139 0.574 4.028 23.881 991 HB2 LYS 139 2HB LYS 139 -2.073 4.747 23.042 992 HB3 LYS 139 3HB LYS 139 -0.917 5.849 22.305 993 HG2 LYS 139 2HG LYS 139 -0.811 4.250 20.732 994 HG3 LYS 139 3HG LYS 139 0.326 3.507 21.858 995 HD2 LYS 139 2HD LYS 139 -1.711 2.346 22.874 996 HD3 LYS 139 3HD LYS 139 -2.576 2.856 21.422 997 HE2 LYS 139 2HE LYS 139 -1.859 0.790 20.755 998 HE3 LYS 139 3HE LYS 139 -0.500 1.774 20.215 999 HZ1 LYS 139 3HZ LYS 139 0.866 0.788 21.653 1000 HZ2 LYS 139 1HZ LYS 139 -0.323 -0.405 21.809 1001 HZ3 LYS 139 2HZ LYS 139 -0.244 0.862 22.927 1002 H VAL 140 H VAL 140 -1.166 6.982 24.827 1003 HA VAL 140 HA VAL 140 0.891 8.765 24.036 1004 HB VAL 140 HB VAL 140 -1.389 9.554 24.310 1005 HG11 VAL 140 1HG1 VAL 140 -1.028 9.065 27.264 1006 HG12 VAL 140 2HG1 VAL 140 -2.451 9.747 26.473 1007 HG13 VAL 140 3HG1 VAL 140 -2.000 8.066 26.185 1008 HG21 VAL 140 3HG2 VAL 140 0.757 10.969 24.867 1009 HG22 VAL 140 1HG2 VAL 140 -0.857 11.630 25.126 1010 HG23 VAL 140 2HG2 VAL 140 0.059 10.983 26.487 1011 H LYS 141 H LYS 141 0.124 7.141 27.068 1012 HA LYS 141 HA LYS 141 1.905 8.530 28.734 1013 HB2 LYS 141 2HB LYS 141 0.083 6.979 29.485 1014 HB3 LYS 141 3HB LYS 141 1.093 5.629 28.983 1015 HG2 LYS 141 2HG LYS 141 2.540 7.424 30.718 1016 HG3 LYS 141 3HG LYS 141 1.048 6.856 31.473 1017 HD2 LYS 141 2HD LYS 141 2.595 4.782 30.080 1018 HD3 LYS 141 3HD LYS 141 3.402 5.495 31.479 1019 HE2 LYS 141 2HE LYS 141 2.128 3.559 32.167 1020 HE3 LYS 141 3HE LYS 141 1.404 5.019 32.840 1021 HZ1 LYS 141 3HZ LYS 141 -0.247 3.469 31.933 1022 HZ2 LYS 141 1HZ LYS 141 0.447 3.626 30.398 1023 HZ3 LYS 141 2HZ LYS 141 -0.277 4.963 31.139 1024 H SER 142 H SER 142 2.364 5.794 26.577 1025 HA SER 142 HA SER 142 5.057 5.292 27.473 1026 HB2 SER 142 2HB SER 142 3.420 3.574 26.475 1027 HB3 SER 142 3HB SER 142 3.850 4.264 24.910 1028 HG SER 142 HG SER 142 5.351 2.754 25.108 1029 H ASN 143 H ASN 143 3.493 7.140 24.969 1030 HA ASN 143 HA ASN 143 4.274 8.656 23.465 1031 HB2 ASN 143 2HB ASN 143 6.918 8.515 24.917 1032 HB3 ASN 143 3HB ASN 143 6.283 9.853 23.964 1033 HD21 ASN 143 1HD2 ASN 143 4.877 11.276 24.877 1034 HD22 ASN 143 2HD2 ASN 143 4.454 11.259 26.552 1035 H ARG 144 H ARG 144 4.634 5.736 23.086 1036 HA ARG 144 HA ARG 144 7.021 5.027 21.897 1037 HB2 ARG 144 2HB ARG 144 4.414 3.950 22.075 1038 HB3 ARG 144 3HB ARG 144 4.850 3.927 20.372 1039 HG2 ARG 144 2HG ARG 144 7.046 2.851 21.162 1040 HG3 ARG 144 3HG ARG 144 6.182 2.553 22.671 1041 HD2 ARG 144 2HD ARG 144 4.587 1.185 21.609 1042 HD3 ARG 144 3HD ARG 144 5.061 1.742 20.005 1043 HE ARG 144 HE ARG 144 7.147 0.378 21.451 1044 HH11 ARG 144 1HH1 ARG 144 4.439 0.038 19.290 1045 HH12 ARG 144 2HH1 ARG 144 4.985 -1.470 18.634 1046 HH21 ARG 144 1HH2 ARG 144 7.876 -1.606 20.595 1047 HH22 ARG 144 2HH2 ARG 144 6.940 -2.404 19.377 Start of MODEL 4 1 H MET 9 H MET 9 -10.656 -2.892 -7.389 2 HA MET 9 HA MET 9 -8.769 -1.654 -8.226 3 HB2 MET 9 2HB MET 9 -9.009 0.882 -8.218 4 HB3 MET 9 3HB MET 9 -9.887 0.012 -9.468 5 HG2 MET 9 2HG MET 9 -11.534 0.301 -7.143 6 HG3 MET 9 3HG MET 9 -10.891 1.868 -7.629 7 HE1 MET 9 3HE MET 9 -11.139 3.003 -9.465 8 HE2 MET 9 1HE MET 9 -11.454 2.288 -11.046 9 HE3 MET 9 2HE MET 9 -12.746 3.121 -10.183 10 H ALA 10 H ALA 10 -7.641 -2.257 -6.451 11 HA ALA 10 HA ALA 10 -8.273 -1.241 -3.829 12 HB1 ALA 10 1HB ALA 10 -5.682 -2.581 -4.260 13 HB2 ALA 10 2HB ALA 10 -6.918 -2.861 -3.033 14 HB3 ALA 10 3HB ALA 10 -7.119 -3.525 -4.654 15 H MET 11 H MET 11 -5.245 -1.149 -5.721 16 HA MET 11 HA MET 11 -4.370 1.189 -4.260 17 HB2 MET 11 2HB MET 11 -2.282 0.925 -5.394 18 HB3 MET 11 3HB MET 11 -2.831 -0.679 -4.928 19 HG2 MET 11 2HG MET 11 -3.627 -1.072 -7.200 20 HG3 MET 11 3HG MET 11 -3.087 0.539 -7.667 21 HE1 MET 11 3HE MET 11 -1.669 0.563 -9.170 22 HE2 MET 11 1HE MET 11 -0.063 0.788 -8.477 23 HE3 MET 11 2HE MET 11 -0.373 -0.568 -9.561 24 H SER 12 H SER 12 -3.829 3.200 -5.213 25 HA SER 12 HA SER 12 -4.452 3.816 -7.924 26 HB2 SER 12 2HB SER 12 -6.654 3.797 -6.183 27 HB3 SER 12 3HB SER 12 -6.242 5.498 -6.396 28 HG SER 12 HG SER 12 -7.325 3.722 -8.174 29 H GLY 13 H GLY 13 -4.630 5.493 -4.774 30 HA2 GLY 13 2HA GLY 13 -2.158 6.797 -4.995 31 HA3 GLY 13 3HA GLY 13 -3.388 7.853 -5.674 32 H VAL 14 H VAL 14 -5.521 7.450 -4.030 33 HA VAL 14 HA VAL 14 -6.323 8.556 -2.164 34 HB VAL 14 HB VAL 14 -6.343 6.325 -1.364 35 HG11 VAL 14 1HG1 VAL 14 -3.396 6.644 -0.807 36 HG12 VAL 14 2HG1 VAL 14 -4.371 5.245 -0.356 37 HG13 VAL 14 3HG1 VAL 14 -4.125 5.639 -2.058 38 HG21 VAL 14 3HG2 VAL 14 -6.317 8.368 0.306 39 HG22 VAL 14 1HG2 VAL 14 -6.380 6.706 0.892 40 HG23 VAL 14 2HG2 VAL 14 -4.849 7.581 0.883 41 H SER 15 H SER 15 -5.261 10.591 -2.492 42 HA SER 15 HA SER 15 -2.874 11.028 -0.836 43 HB2 SER 15 2HB SER 15 -3.973 12.345 -3.273 44 HB3 SER 15 3HB SER 15 -3.077 13.351 -2.135 45 HG SER 15 HG SER 15 -1.286 12.391 -2.701 46 H VAL 16 H VAL 16 -2.830 12.569 0.769 47 HA VAL 16 HA VAL 16 -5.376 13.232 1.942 48 HB VAL 16 HB VAL 16 -4.015 14.283 3.738 49 HG11 VAL 16 1HG1 VAL 16 -2.688 12.010 4.182 50 HG12 VAL 16 2HG1 VAL 16 -4.440 12.139 4.352 51 HG13 VAL 16 3HG1 VAL 16 -3.743 11.462 2.880 52 HG21 VAL 16 3HG2 VAL 16 -1.960 14.980 3.245 53 HG22 VAL 16 1HG2 VAL 16 -1.460 13.289 3.194 54 HG23 VAL 16 2HG2 VAL 16 -1.972 14.102 1.715 55 H ALA 17 H ALA 17 -6.484 15.044 1.644 56 HA ALA 17 HA ALA 17 -5.580 17.103 -0.082 57 HB1 ALA 17 1HB ALA 17 -7.886 16.774 -0.084 58 HB2 ALA 17 2HB ALA 17 -7.985 16.780 1.678 59 HB3 ALA 17 3HB ALA 17 -7.682 18.283 0.806 60 H ASP 18 H ASP 18 -5.268 19.342 0.416 61 HA ASP 18 HA ASP 18 -3.440 19.857 2.430 62 HB2 ASP 18 2HB ASP 18 -5.086 21.514 0.609 63 HB3 ASP 18 3HB ASP 18 -4.438 22.332 2.028 64 H GLU 19 H GLU 19 -6.945 20.162 2.460 65 HA GLU 19 HA GLU 19 -7.265 21.596 4.828 66 HB2 GLU 19 2HB GLU 19 -9.513 20.676 4.913 67 HB3 GLU 19 3HB GLU 19 -9.099 21.105 3.259 68 HG2 GLU 19 2HG GLU 19 -8.606 18.752 2.783 69 HG3 GLU 19 3HG GLU 19 -9.062 18.334 4.434 70 H CYS 20 H CYS 20 -6.709 18.163 4.291 71 HA CYS 20 HA CYS 20 -7.185 17.337 6.962 72 HB2 CYS 20 2HB CYS 20 -7.260 15.707 5.190 73 HB3 CYS 20 3HB CYS 20 -5.604 16.069 4.721 74 HG CYS 20 HG CYS 20 -5.082 13.778 5.898 75 H VAL 21 H VAL 21 -4.233 18.174 5.182 76 HA VAL 21 HA VAL 21 -2.386 17.597 7.202 77 HB VAL 21 HB VAL 21 -2.118 19.818 5.175 78 HG11 VAL 21 1HG1 VAL 21 -0.283 18.423 7.024 79 HG12 VAL 21 2HG1 VAL 21 0.330 18.752 5.402 80 HG13 VAL 21 3HG1 VAL 21 -0.242 20.078 6.416 81 HG21 VAL 21 3HG2 VAL 21 -0.821 17.766 4.034 82 HG22 VAL 21 1HG2 VAL 21 -2.102 16.880 4.861 83 HG23 VAL 21 2HG2 VAL 21 -2.511 18.144 3.701 84 H THR 22 H THR 22 -4.039 20.646 6.423 85 HA THR 22 HA THR 22 -2.837 22.174 8.469 86 HB THR 22 HB THR 22 -5.605 22.777 7.493 87 HG1 THR 22 HG1 THR 22 -4.923 22.866 5.500 88 HG21 THR 22 3HG2 THR 22 -4.233 25.066 7.314 89 HG22 THR 22 1HG2 THR 22 -3.264 24.259 8.547 90 HG23 THR 22 2HG2 THR 22 -4.988 24.525 8.813 91 H ALA 23 H ALA 23 -5.859 20.334 8.337 92 HA ALA 23 HA ALA 23 -6.927 21.099 10.798 93 HB1 ALA 23 1HB ALA 23 -8.134 19.821 9.052 94 HB2 ALA 23 2HB ALA 23 -7.199 18.393 9.498 95 HB3 ALA 23 3HB ALA 23 -8.299 19.127 10.665 96 H LEU 24 H LEU 24 -4.726 18.430 10.003 97 HA LEU 24 HA LEU 24 -4.582 17.406 12.646 98 HB2 LEU 24 2HB LEU 24 -2.583 17.127 10.407 99 HB3 LEU 24 3HB LEU 24 -2.689 16.114 11.846 100 HG LEU 24 HG LEU 24 -5.039 16.262 10.015 101 HD11 LEU 24 1HD1 LEU 24 -2.393 15.138 9.349 102 HD12 LEU 24 2HD1 LEU 24 -3.683 15.713 8.295 103 HD13 LEU 24 3HD1 LEU 24 -3.789 14.111 9.023 104 HD21 LEU 24 3HD2 LEU 24 -3.860 14.322 11.964 105 HD22 LEU 24 1HD2 LEU 24 -4.982 13.770 10.720 106 HD23 LEU 24 2HD2 LEU 24 -5.493 14.984 11.892 107 H ASN 25 H ASN 25 -2.614 19.695 10.811 108 HA ASN 25 HA ASN 25 -0.495 19.978 12.602 109 HB2 ASN 25 2HB ASN 25 -1.545 21.421 10.306 110 HB3 ASN 25 3HB ASN 25 -0.870 22.515 11.510 111 HD21 ASN 25 1HD2 ASN 25 -0.215 20.159 9.117 112 HD22 ASN 25 2HD2 ASN 25 1.509 20.209 9.218 113 H ASP 26 H ASP 26 -3.570 21.740 12.423 114 HA ASP 26 HA ASP 26 -3.006 23.415 14.660 115 HB2 ASP 26 2HB ASP 26 -5.776 22.760 13.683 116 HB3 ASP 26 3HB ASP 26 -5.189 24.258 14.401 117 H LEU 27 H LEU 27 -4.723 20.367 14.223 118 HA LEU 27 HA LEU 27 -5.923 20.148 16.722 119 HB2 LEU 27 2HB LEU 27 -6.105 18.646 14.636 120 HB3 LEU 27 3HB LEU 27 -4.719 17.793 15.312 121 HG LEU 27 HG LEU 27 -6.082 17.366 17.364 122 HD11 LEU 27 1HD1 LEU 27 -7.925 18.579 17.634 123 HD12 LEU 27 2HD1 LEU 27 -8.669 17.573 16.392 124 HD13 LEU 27 3HD1 LEU 27 -7.914 19.103 15.950 125 HD21 LEU 27 3HD2 LEU 27 -6.650 15.399 16.478 126 HD22 LEU 27 1HD2 LEU 27 -6.025 16.034 14.956 127 HD23 LEU 27 2HD2 LEU 27 -7.748 16.144 15.315 128 H ARG 28 H ARG 28 -2.672 19.185 15.687 129 HA ARG 28 HA ARG 28 -1.878 18.014 18.120 130 HB2 ARG 28 2HB ARG 28 0.196 17.795 17.167 131 HB3 ARG 28 3HB ARG 28 -0.769 18.047 15.719 132 HG2 ARG 28 2HG ARG 28 -0.180 20.582 16.223 133 HG3 ARG 28 3HG ARG 28 1.202 19.831 17.024 134 HD2 ARG 28 2HD ARG 28 0.862 18.532 14.537 135 HD3 ARG 28 3HD ARG 28 0.757 20.267 14.239 136 HE ARG 28 HE ARG 28 2.955 19.831 15.889 137 HH11 ARG 28 1HH1 ARG 28 1.915 19.050 12.659 138 HH12 ARG 28 2HH1 ARG 28 3.522 18.998 12.014 139 HH21 ARG 28 1HH2 ARG 28 5.076 19.764 15.051 140 HH22 ARG 28 2HH2 ARG 28 5.319 19.403 13.376 141 H HIS 29 H HIS 29 -2.176 21.305 17.121 142 HA HIS 29 HA HIS 29 -0.567 22.275 19.357 143 HB2 HIS 29 2HB HIS 29 -1.129 23.263 16.778 144 HB3 HIS 29 3HB HIS 29 -1.913 24.367 17.904 145 HD1 HIS 29 HD1 HIS 29 -0.455 26.185 18.715 146 HD2 HIS 29 HD2 HIS 29 1.738 22.841 17.587 147 HE1 HIS 29 HE1 HIS 29 1.957 26.836 18.999 148 H LYS 30 H LYS 30 -3.281 20.912 19.524 149 HA LYS 30 HA LYS 30 -5.136 21.043 20.833 150 HB2 LYS 30 2HB LYS 30 -3.887 23.488 22.083 151 HB3 LYS 30 3HB LYS 30 -5.058 22.392 22.805 152 HG2 LYS 30 2HG LYS 30 -3.259 20.594 22.554 153 HG3 LYS 30 3HG LYS 30 -2.145 21.933 22.271 154 HD2 LYS 30 2HD LYS 30 -3.923 21.688 24.695 155 HD3 LYS 30 3HD LYS 30 -2.239 21.162 24.642 156 HE2 LYS 30 2HE LYS 30 -1.597 23.483 24.023 157 HE3 LYS 30 3HE LYS 30 -3.278 23.966 24.247 158 HZ1 LYS 30 3HZ LYS 30 -2.879 24.209 26.396 159 HZ2 LYS 30 1HZ LYS 30 -1.270 23.730 26.183 160 HZ3 LYS 30 2HZ LYS 30 -2.457 22.576 26.530 161 H LYS 31 H LYS 31 -5.433 22.108 18.349 162 HA LYS 31 HA LYS 31 -6.490 24.761 18.395 163 HB2 LYS 31 2HB LYS 31 -5.595 23.895 16.333 164 HB3 LYS 31 3HB LYS 31 -6.706 22.532 16.367 165 HG2 LYS 31 2HG LYS 31 -8.196 24.969 16.470 166 HG3 LYS 31 3HG LYS 31 -7.056 25.027 15.123 167 HD2 LYS 31 2HD LYS 31 -7.982 22.545 14.780 168 HD3 LYS 31 3HD LYS 31 -9.391 23.256 15.570 169 HE2 LYS 31 2HE LYS 31 -9.350 25.077 13.885 170 HE3 LYS 31 3HE LYS 31 -8.030 24.243 13.066 171 HZ1 LYS 31 3HZ LYS 31 -9.665 23.270 11.920 172 HZ2 LYS 31 1HZ LYS 31 -10.855 23.672 13.053 173 HZ3 LYS 31 2HZ LYS 31 -9.887 22.307 13.293 174 H SER 32 H SER 32 -8.069 21.596 17.907 175 HA SER 32 HA SER 32 -10.499 22.741 19.121 176 HB2 SER 32 2HB SER 32 -10.138 21.525 16.528 177 HB3 SER 32 3HB SER 32 -11.287 20.590 17.485 178 HG SER 32 HG SER 32 -12.268 22.310 16.291 179 H ARG 33 H ARG 33 -9.600 19.458 18.101 180 HA ARG 33 HA ARG 33 -9.034 18.420 20.634 181 HB2 ARG 33 2HB ARG 33 -11.289 18.859 21.280 182 HB3 ARG 33 3HB ARG 33 -11.917 18.193 19.778 183 HG2 ARG 33 2HG ARG 33 -11.179 15.966 20.450 184 HG3 ARG 33 3HG ARG 33 -10.537 16.633 21.953 185 HD2 ARG 33 2HD ARG 33 -13.349 17.284 21.382 186 HD3 ARG 33 3HD ARG 33 -13.016 15.579 21.682 187 HE ARG 33 HE ARG 33 -11.860 17.358 23.626 188 HH11 ARG 33 1HH1 ARG 33 -14.683 15.533 22.720 189 HH12 ARG 33 2HH1 ARG 33 -15.298 15.434 24.337 190 HH21 ARG 33 1HH2 ARG 33 -12.659 17.235 25.759 191 HH22 ARG 33 2HH2 ARG 33 -14.147 16.403 26.064 192 H TYR 34 H TYR 34 -11.198 17.190 18.084 193 HA TYR 34 HA TYR 34 -9.077 15.374 17.201 194 HB2 TYR 34 2HB TYR 34 -10.384 13.424 17.398 195 HB3 TYR 34 3HB TYR 34 -10.624 14.273 18.921 196 HD1 TYR 34 HD1 TYR 34 -12.183 13.291 15.746 197 HD2 TYR 34 HD2 TYR 34 -12.772 15.223 19.491 198 HE1 TYR 34 HE1 TYR 34 -14.616 13.220 15.393 199 HE2 TYR 34 HE2 TYR 34 -15.206 15.157 19.149 200 HH TYR 34 HH TYR 34 -16.797 13.431 17.572 201 H VAL 35 H VAL 35 -9.317 14.598 15.071 202 HA VAL 35 HA VAL 35 -11.465 15.836 13.490 203 HB VAL 35 HB VAL 35 -9.831 16.287 11.674 204 HG11 VAL 35 1HG1 VAL 35 -10.367 17.779 13.949 205 HG12 VAL 35 2HG1 VAL 35 -8.617 17.891 13.756 206 HG13 VAL 35 3HG1 VAL 35 -9.683 18.374 12.437 207 HG21 VAL 35 3HG2 VAL 35 -7.839 15.300 11.793 208 HG22 VAL 35 1HG2 VAL 35 -7.416 16.467 13.045 209 HG23 VAL 35 2HG2 VAL 35 -8.071 14.891 13.492 210 H ILE 36 H ILE 36 -12.515 14.385 12.312 211 HA ILE 36 HA ILE 36 -11.169 11.841 11.690 212 HB ILE 36 HB ILE 36 -14.143 12.346 11.786 213 HG12 ILE 36 2HG1 ILE 36 -12.331 11.093 13.861 214 HG13 ILE 36 3HG1 ILE 36 -13.165 12.635 14.012 215 HG21 ILE 36 1HG2 ILE 36 -12.657 10.272 10.656 216 HG22 ILE 36 2HG2 ILE 36 -13.275 9.627 12.176 217 HG23 ILE 36 3HG2 ILE 36 -14.390 10.289 10.980 218 HD11 ILE 36 3HD1 ILE 36 -14.263 10.824 15.249 219 HD12 ILE 36 1HD1 ILE 36 -15.301 11.522 14.006 220 HD13 ILE 36 2HD1 ILE 36 -14.519 9.965 13.731 221 H MET 37 H MET 37 -10.908 11.234 9.626 222 HA MET 37 HA MET 37 -12.426 12.629 7.537 223 HB2 MET 37 2HB MET 37 -9.439 12.369 7.754 224 HB3 MET 37 3HB MET 37 -10.219 12.560 6.190 225 HG2 MET 37 2HG MET 37 -10.408 14.742 6.481 226 HG3 MET 37 3HG MET 37 -11.217 14.517 8.030 227 HE1 MET 37 3HE MET 37 -9.689 14.475 10.500 228 HE2 MET 37 1HE MET 37 -9.311 12.975 9.653 229 HE3 MET 37 2HE MET 37 -8.010 13.966 10.315 230 H HIS 38 H HIS 38 -12.534 11.487 5.511 231 HA HIS 38 HA HIS 38 -11.856 8.631 5.692 232 HB2 HIS 38 2HB HIS 38 -13.993 8.010 4.753 233 HB3 HIS 38 3HB HIS 38 -14.273 8.998 6.184 234 HD1 HIS 38 HD1 HIS 38 -15.681 8.562 3.049 235 HD2 HIS 38 HD2 HIS 38 -14.434 11.939 5.122 236 HE1 HIS 38 HE1 HIS 38 -16.918 10.486 2.005 237 H ILE 39 H ILE 39 -11.946 7.541 3.529 238 HA ILE 39 HA ILE 39 -10.553 9.198 1.601 239 HB ILE 39 HB ILE 39 -11.231 6.272 1.335 240 HG12 ILE 39 2HG1 ILE 39 -8.784 7.547 2.578 241 HG13 ILE 39 3HG1 ILE 39 -10.025 6.642 3.439 242 HG21 ILE 39 1HG2 ILE 39 -10.469 7.625 -0.670 243 HG22 ILE 39 2HG2 ILE 39 -8.916 7.777 0.150 244 HG23 ILE 39 3HG2 ILE 39 -9.528 6.183 -0.291 245 HD11 ILE 39 3HD1 ILE 39 -7.708 5.699 1.996 246 HD12 ILE 39 1HD1 ILE 39 -8.734 4.863 3.161 247 HD13 ILE 39 2HD1 ILE 39 -9.189 4.909 1.457 248 H VAL 40 H VAL 40 -11.460 10.116 -0.114 249 HA VAL 40 HA VAL 40 -14.149 9.227 -0.919 250 HB VAL 40 HB VAL 40 -12.833 11.914 -1.342 251 HG11 VAL 40 1HG1 VAL 40 -15.091 12.603 -2.118 252 HG12 VAL 40 2HG1 VAL 40 -14.305 11.434 -3.180 253 HG13 VAL 40 3HG1 VAL 40 -15.579 10.909 -2.078 254 HG21 VAL 40 3HG2 VAL 40 -14.913 10.936 0.594 255 HG22 VAL 40 1HG2 VAL 40 -13.403 11.782 0.933 256 HG23 VAL 40 2HG2 VAL 40 -14.745 12.642 0.180 257 H ASP 41 H ASP 41 -14.434 8.383 -2.880 258 HA ASP 41 HA ASP 41 -14.047 7.679 -5.009 259 HB2 ASP 41 2HB ASP 41 -13.400 10.375 -5.001 260 HB3 ASP 41 3HB ASP 41 -11.988 9.616 -5.732 261 H GLN 42 H GLN 42 -12.128 7.140 -2.644 262 HA GLN 42 HA GLN 42 -10.179 6.021 -2.243 263 HB2 GLN 42 2HB GLN 42 -10.916 4.826 -4.920 264 HB3 GLN 42 3HB GLN 42 -9.722 4.154 -3.817 265 HG2 GLN 42 2HG GLN 42 -11.478 2.898 -3.180 266 HG3 GLN 42 3HG GLN 42 -11.793 4.291 -2.147 267 HE21 GLN 42 1HE2 GLN 42 -12.391 3.390 -5.531 268 HE22 GLN 42 2HE2 GLN 42 -14.056 3.852 -5.537 269 H LYS 43 H LYS 43 -9.916 8.588 -3.567 270 HA LYS 43 HA LYS 43 -7.216 8.217 -4.612 271 HB2 LYS 43 2HB LYS 43 -8.811 8.297 -6.557 272 HB3 LYS 43 3HB LYS 43 -9.240 9.929 -6.061 273 HG2 LYS 43 2HG LYS 43 -7.072 10.744 -6.530 274 HG3 LYS 43 3HG LYS 43 -6.420 9.112 -6.700 275 HD2 LYS 43 2HD LYS 43 -7.738 8.762 -8.704 276 HD3 LYS 43 3HD LYS 43 -8.498 10.342 -8.510 277 HE2 LYS 43 2HE LYS 43 -6.091 11.262 -8.592 278 HE3 LYS 43 3HE LYS 43 -5.670 9.686 -9.261 279 HZ1 LYS 43 3HZ LYS 43 -7.096 10.042 -11.098 280 HZ2 LYS 43 1HZ LYS 43 -6.178 11.453 -10.930 281 HZ3 LYS 43 2HZ LYS 43 -7.785 11.422 -10.404 282 H SER 44 H SER 44 -9.748 10.459 -3.579 283 HA SER 44 HA SER 44 -7.640 12.200 -2.479 284 HB2 SER 44 2HB SER 44 -9.969 12.845 -4.160 285 HB3 SER 44 3HB SER 44 -9.782 13.882 -2.746 286 HG SER 44 HG SER 44 -8.448 14.871 -4.068 287 H ILE 45 H ILE 45 -7.707 12.493 -0.351 288 HA ILE 45 HA ILE 45 -9.847 11.321 1.189 289 HB ILE 45 HB ILE 45 -7.390 12.817 2.111 290 HG12 ILE 45 2HG1 ILE 45 -7.961 9.850 1.934 291 HG13 ILE 45 3HG1 ILE 45 -6.856 10.750 0.901 292 HG21 ILE 45 1HG2 ILE 45 -9.356 11.134 3.658 293 HG22 ILE 45 2HG2 ILE 45 -7.856 11.801 4.298 294 HG23 ILE 45 3HG2 ILE 45 -9.151 12.881 3.781 295 HD11 ILE 45 3HD1 ILE 45 -6.394 9.560 3.464 296 HD12 ILE 45 1HD1 ILE 45 -5.243 10.263 2.329 297 HD13 ILE 45 2HD1 ILE 45 -6.046 11.288 3.519 298 H ALA 46 H ALA 46 -11.492 12.344 2.149 299 HA ALA 46 HA ALA 46 -11.427 15.287 2.272 300 HB1 ALA 46 1HB ALA 46 -12.947 14.028 0.481 301 HB2 ALA 46 2HB ALA 46 -14.047 13.972 1.858 302 HB3 ALA 46 3HB ALA 46 -13.449 15.523 1.270 303 H VAL 47 H VAL 47 -12.780 16.236 3.918 304 HA VAL 47 HA VAL 47 -12.681 14.759 6.374 305 HB VAL 47 HB VAL 47 -12.208 17.167 6.325 306 HG11 VAL 47 1HG1 VAL 47 -14.403 17.338 4.681 307 HG12 VAL 47 2HG1 VAL 47 -14.989 18.030 6.195 308 HG13 VAL 47 3HG1 VAL 47 -13.556 18.700 5.414 309 HG21 VAL 47 3HG2 VAL 47 -13.430 15.825 8.275 310 HG22 VAL 47 1HG2 VAL 47 -13.048 17.543 8.403 311 HG23 VAL 47 2HG2 VAL 47 -14.677 17.032 7.960 312 H LYS 48 H LYS 48 -14.318 13.875 7.535 313 HA LYS 48 HA LYS 48 -16.944 13.757 6.216 314 HB2 LYS 48 2HB LYS 48 -15.325 11.703 7.044 315 HB3 LYS 48 3HB LYS 48 -16.429 11.866 8.403 316 HG2 LYS 48 2HG LYS 48 -17.451 11.688 5.595 317 HG3 LYS 48 3HG LYS 48 -17.038 10.241 6.516 318 HD2 LYS 48 2HD LYS 48 -18.843 10.426 7.853 319 HD3 LYS 48 3HD LYS 48 -18.719 12.184 7.945 320 HE2 LYS 48 2HE LYS 48 -20.599 12.102 6.699 321 HE3 LYS 48 3HE LYS 48 -19.454 11.904 5.373 322 HZ1 LYS 48 3HZ LYS 48 -21.356 10.034 6.445 323 HZ2 LYS 48 1HZ LYS 48 -19.810 9.372 6.254 324 HZ3 LYS 48 2HZ LYS 48 -20.604 10.062 4.930 325 H THR 49 H THR 49 -15.411 14.043 9.406 326 HA THR 49 HA THR 49 -17.434 15.882 10.286 327 HB THR 49 HB THR 49 -17.286 13.157 11.589 328 HG1 THR 49 HG1 THR 49 -19.622 14.411 10.620 329 HG21 THR 49 3HG2 THR 49 -19.156 14.151 13.018 330 HG22 THR 49 1HG2 THR 49 -18.595 15.724 12.454 331 HG23 THR 49 2HG2 THR 49 -17.512 14.679 13.373 332 H ILE 50 H ILE 50 -16.162 17.373 11.171 333 HA ILE 50 HA ILE 50 -13.796 16.549 12.681 334 HB ILE 50 HB ILE 50 -13.558 18.286 10.916 335 HG12 ILE 50 2HG1 ILE 50 -13.003 19.469 13.633 336 HG13 ILE 50 3HG1 ILE 50 -12.102 18.090 13.013 337 HG21 ILE 50 1HG2 ILE 50 -15.822 19.311 11.435 338 HG22 ILE 50 2HG2 ILE 50 -15.027 20.132 12.777 339 HG23 ILE 50 3HG2 ILE 50 -14.500 20.435 11.122 340 HD11 ILE 50 3HD1 ILE 50 -12.315 20.663 11.492 341 HD12 ILE 50 1HD1 ILE 50 -11.073 20.387 12.713 342 HD13 ILE 50 2HD1 ILE 50 -11.153 19.352 11.287 343 H GLY 51 H GLY 51 -13.453 17.080 14.815 344 HA2 GLY 51 2HA GLY 51 -15.866 17.879 16.291 345 HA3 GLY 51 3HA GLY 51 -14.500 17.001 16.961 346 H GLU 52 H GLU 52 -15.154 18.896 18.544 347 HA GLU 52 HA GLU 52 -12.973 20.702 18.531 348 HB2 GLU 52 2HB GLU 52 -14.328 22.810 18.422 349 HB3 GLU 52 3HB GLU 52 -14.193 21.948 16.896 350 HG2 GLU 52 2HG GLU 52 -16.390 21.744 16.728 351 HG3 GLU 52 3HG GLU 52 -16.518 21.086 18.358 352 H ARG 53 H ARG 53 -13.721 18.918 20.396 353 HA ARG 53 HA ARG 53 -14.143 18.657 22.616 354 HB2 ARG 53 2HB ARG 53 -13.218 21.392 22.297 355 HB3 ARG 53 3HB ARG 53 -14.309 21.234 23.667 356 HG2 ARG 53 2HG ARG 53 -12.906 19.405 24.538 357 HG3 ARG 53 3HG ARG 53 -11.789 19.657 23.195 358 HD2 ARG 53 2HD ARG 53 -10.863 21.454 24.160 359 HD3 ARG 53 3HD ARG 53 -12.426 22.103 24.653 360 HE ARG 53 HE ARG 53 -11.992 20.012 26.351 361 HH11 ARG 53 1HH1 ARG 53 -10.223 22.882 25.482 362 HH12 ARG 53 2HH1 ARG 53 -9.463 23.040 27.031 363 HH21 ARG 53 1HH2 ARG 53 -10.999 20.210 28.395 364 HH22 ARG 53 2HH2 ARG 53 -9.905 21.520 28.687 365 H GLY 54 H GLY 54 -16.344 19.315 20.616 366 HA2 GLY 54 2HA GLY 54 -18.423 19.778 22.650 367 HA3 GLY 54 3HA GLY 54 -18.462 20.675 21.140 368 H ALA 55 H ALA 55 -17.228 17.642 20.552 369 HA ALA 55 HA ALA 55 -19.782 16.771 19.430 370 HB1 ALA 55 1HB ALA 55 -17.262 15.258 18.977 371 HB2 ALA 55 2HB ALA 55 -18.607 15.572 17.879 372 HB3 ALA 55 3HB ALA 55 -17.437 16.845 18.228 373 H ASN 56 H ASN 56 -20.932 15.121 20.219 374 HA ASN 56 HA ASN 56 -20.002 13.805 22.628 375 HB2 ASN 56 2HB ASN 56 -22.526 14.532 21.566 376 HB3 ASN 56 3HB ASN 56 -22.516 12.777 21.704 377 HD21 ASN 56 1HD2 ASN 56 -22.690 11.857 23.662 378 HD22 ASN 56 2HD2 ASN 56 -22.805 12.733 25.148 379 H PHE 57 H PHE 57 -20.704 11.374 22.776 380 HA PHE 57 HA PHE 57 -19.046 9.949 20.963 381 HB2 PHE 57 2HB PHE 57 -21.067 8.777 22.879 382 HB3 PHE 57 3HB PHE 57 -19.641 7.984 22.217 383 HD1 PHE 57 HD2 PHE 57 -17.367 9.220 22.740 384 HD2 PHE 57 HD1 PHE 57 -20.950 9.643 24.999 385 HE1 PHE 57 HE2 PHE 57 -16.052 9.965 24.681 386 HE2 PHE 57 HE1 PHE 57 -19.640 10.390 26.943 387 HZ PHE 57 HZ PHE 57 -17.187 10.550 26.786 388 H ASP 58 H ASP 58 -22.535 10.321 21.309 389 HA ASP 58 HA ASP 58 -23.399 8.370 19.530 390 HB2 ASP 58 2HB ASP 58 -24.516 10.786 20.738 391 HB3 ASP 58 3HB ASP 58 -25.183 10.448 19.143 392 H GLN 59 H GLN 59 -22.518 11.750 18.884 393 HA GLN 59 HA GLN 59 -23.070 11.703 16.125 394 HB2 GLN 59 2HB GLN 59 -21.074 13.408 17.625 395 HB3 GLN 59 3HB GLN 59 -21.679 13.725 16.005 396 HG2 GLN 59 2HG GLN 59 -23.684 13.429 18.159 397 HG3 GLN 59 3HG GLN 59 -22.685 14.882 18.174 398 HE21 GLN 59 1HE2 GLN 59 -24.320 16.279 17.656 399 HE22 GLN 59 2HE2 GLN 59 -25.091 16.304 16.110 400 H PHE 60 H PHE 60 -20.153 10.959 17.967 401 HA PHE 60 HA PHE 60 -18.365 10.718 15.830 402 HB2 PHE 60 2HB PHE 60 -17.487 10.776 18.048 403 HB3 PHE 60 3HB PHE 60 -18.444 9.381 18.534 404 HD1 PHE 60 HD1 PHE 60 -16.373 9.843 15.488 405 HD2 PHE 60 HD2 PHE 60 -16.868 7.810 19.194 406 HE1 PHE 60 HE1 PHE 60 -14.491 8.362 14.923 407 HE2 PHE 60 HE2 PHE 60 -14.987 6.326 18.636 408 HZ PHE 60 HZ PHE 60 -13.795 6.602 16.498 409 H ILE 61 H ILE 61 -20.312 8.213 17.445 410 HA ILE 61 HA ILE 61 -19.504 6.082 15.798 411 HB ILE 61 HB ILE 61 -22.110 6.407 17.290 412 HG12 ILE 61 2HG1 ILE 61 -19.508 5.097 18.107 413 HG13 ILE 61 3HG1 ILE 61 -20.149 6.604 18.751 414 HG21 ILE 61 1HG2 ILE 61 -21.254 4.411 15.470 415 HG22 ILE 61 2HG2 ILE 61 -21.254 3.706 17.086 416 HG23 ILE 61 3HG2 ILE 61 -22.721 4.448 16.449 417 HD11 ILE 61 3HD1 ILE 61 -21.286 5.491 20.279 418 HD12 ILE 61 1HD1 ILE 61 -22.120 4.568 19.029 419 HD13 ILE 61 2HD1 ILE 61 -20.586 3.988 19.678 420 H GLU 62 H GLU 62 -22.222 8.337 15.563 421 HA GLU 62 HA GLU 62 -23.539 7.145 13.401 422 HB2 GLU 62 2HB GLU 62 -24.269 9.105 14.934 423 HB3 GLU 62 3HB GLU 62 -23.430 10.124 13.773 424 HG2 GLU 62 2HG GLU 62 -25.162 8.299 12.401 425 HG3 GLU 62 3HG GLU 62 -26.058 9.174 13.642 426 H ALA 63 H ALA 63 -20.871 9.449 13.505 427 HA ALA 63 HA ALA 63 -20.790 9.942 10.708 428 HB1 ALA 63 1HB ALA 63 -19.791 11.559 12.112 429 HB2 ALA 63 2HB ALA 63 -18.778 10.352 12.906 430 HB3 ALA 63 3HB ALA 63 -18.469 10.796 11.227 431 H ILE 64 H ILE 64 -18.701 7.957 12.813 432 HA ILE 64 HA ILE 64 -17.297 6.780 10.635 433 HB ILE 64 HB ILE 64 -16.467 5.160 12.356 434 HG12 ILE 64 2HG1 ILE 64 -17.316 6.592 14.678 435 HG13 ILE 64 3HG1 ILE 64 -18.745 6.121 13.765 436 HG21 ILE 64 1HG2 ILE 64 -15.132 6.799 13.555 437 HG22 ILE 64 2HG2 ILE 64 -15.311 7.267 11.865 438 HG23 ILE 64 3HG2 ILE 64 -16.266 8.073 13.109 439 HD11 ILE 64 3HD1 ILE 64 -17.854 4.525 15.554 440 HD12 ILE 64 1HD1 ILE 64 -18.280 3.856 13.979 441 HD13 ILE 64 2HD1 ILE 64 -16.588 4.145 14.387 442 H ASP 65 H ASP 65 -17.868 5.143 9.370 443 HA ASP 65 HA ASP 65 -20.061 3.385 10.259 444 HB2 ASP 65 2HB ASP 65 -19.417 4.451 7.511 445 HB3 ASP 65 3HB ASP 65 -20.500 3.086 7.769 446 H LYS 66 H LYS 66 -19.657 1.269 10.343 447 HA LYS 66 HA LYS 66 -17.039 0.270 9.910 448 HB2 LYS 66 2HB LYS 66 -18.606 -0.635 11.606 449 HB3 LYS 66 3HB LYS 66 -19.609 -1.274 10.311 450 HG2 LYS 66 2HG LYS 66 -17.561 -2.575 9.567 451 HG3 LYS 66 3HG LYS 66 -16.845 -2.124 11.116 452 HD2 LYS 66 2HD LYS 66 -17.798 -4.056 11.801 453 HD3 LYS 66 3HD LYS 66 -19.234 -3.041 11.955 454 HE2 LYS 66 2HE LYS 66 -19.245 -3.806 9.297 455 HE3 LYS 66 3HE LYS 66 -18.695 -5.251 10.146 456 HZ1 LYS 66 3HZ LYS 66 -20.982 -3.858 11.290 457 HZ2 LYS 66 1HZ LYS 66 -20.675 -5.517 11.165 458 HZ3 LYS 66 2HZ LYS 66 -21.249 -4.660 9.825 459 H ASN 67 H ASN 67 -16.452 0.565 7.769 460 HA ASN 67 HA ASN 67 -16.990 -1.509 5.983 461 HB2 ASN 67 2HB ASN 67 -18.916 0.670 5.901 462 HB3 ASN 67 3HB ASN 67 -18.102 0.460 4.353 463 HD21 ASN 67 1HD2 ASN 67 -20.803 -0.296 5.833 464 HD22 ASN 67 2HD2 ASN 67 -21.122 -1.865 5.185 465 H VAL 68 H VAL 68 -16.777 1.965 5.257 466 HA VAL 68 HA VAL 68 -14.427 1.520 3.640 467 HB VAL 68 HB VAL 68 -14.527 3.985 3.255 468 HG11 VAL 68 1HG1 VAL 68 -17.116 2.507 2.792 469 HG12 VAL 68 2HG1 VAL 68 -16.554 3.926 1.906 470 HG13 VAL 68 3HG1 VAL 68 -15.677 2.401 1.779 471 HG21 VAL 68 3HG2 VAL 68 -16.192 5.340 4.171 472 HG22 VAL 68 1HG2 VAL 68 -17.154 3.960 4.702 473 HG23 VAL 68 2HG2 VAL 68 -15.653 4.363 5.536 474 HA PRO 69 HA PRO 69 -11.315 2.522 6.571 475 HB2 PRO 69 2HB PRO 69 -9.494 3.776 4.995 476 HB3 PRO 69 3HB PRO 69 -9.782 2.033 4.930 477 HG2 PRO 69 2HG PRO 69 -10.819 4.193 3.136 478 HG3 PRO 69 3HG PRO 69 -10.183 2.594 2.709 479 HD2 PRO 69 2HD PRO 69 -12.836 3.126 2.813 480 HD3 PRO 69 3HD PRO 69 -12.165 1.531 3.214 481 H CYS 70 H CYS 70 -11.167 4.060 8.074 482 HA CYS 70 HA CYS 70 -11.269 6.874 7.280 483 HB2 CYS 70 2HB CYS 70 -12.938 7.445 8.900 484 HB3 CYS 70 3HB CYS 70 -13.576 6.117 7.937 485 HG CYS 70 HG CYS 70 -12.300 5.869 11.103 486 H TYR 71 H TYR 71 -10.096 8.246 8.573 487 HA TYR 71 HA TYR 71 -8.586 6.971 10.761 488 HB2 TYR 71 2HB TYR 71 -7.652 9.207 8.950 489 HB3 TYR 71 3HB TYR 71 -6.708 8.424 10.213 490 HD1 TYR 71 HD2 TYR 71 -5.861 6.145 9.901 491 HD2 TYR 71 HD1 TYR 71 -8.003 8.143 6.814 492 HE1 TYR 71 HE2 TYR 71 -5.051 4.488 8.274 493 HE2 TYR 71 HE1 TYR 71 -7.200 6.491 5.179 494 HH TYR 71 HH TYR 71 -6.140 4.534 4.908 495 H ALA 72 H ALA 72 -8.696 7.884 12.712 496 HA ALA 72 HA ALA 72 -9.818 10.603 12.915 497 HB1 ALA 72 1HB ALA 72 -10.783 9.822 15.119 498 HB2 ALA 72 2HB ALA 72 -11.528 9.158 13.665 499 HB3 ALA 72 3HB ALA 72 -10.396 8.181 14.600 500 H ALA 73 H ALA 73 -8.505 12.017 13.848 501 HA ALA 73 HA ALA 73 -6.294 11.008 15.505 502 HB1 ALA 73 1HB ALA 73 -6.364 12.856 13.372 503 HB2 ALA 73 2HB ALA 73 -5.962 13.759 14.832 504 HB3 ALA 73 3HB ALA 73 -4.980 12.374 14.355 505 H PHE 74 H PHE 74 -6.025 11.674 17.571 506 HA PHE 74 HA PHE 74 -7.840 13.746 18.600 507 HB2 PHE 74 2HB PHE 74 -8.832 11.664 19.268 508 HB3 PHE 74 3HB PHE 74 -7.281 11.036 19.813 509 HD1 PHE 74 HD2 PHE 74 -8.918 14.320 20.437 510 HD2 PHE 74 HD1 PHE 74 -7.484 10.665 22.081 511 HE1 PHE 74 HE2 PHE 74 -9.379 15.162 22.702 512 HE2 PHE 74 HE1 PHE 74 -7.943 11.502 24.349 513 HZ PHE 74 HZ PHE 74 -8.891 13.753 24.662 514 H ASP 75 H ASP 75 -6.883 15.250 19.818 515 HA ASP 75 HA ASP 75 -4.044 14.929 20.419 516 HB2 ASP 75 2HB ASP 75 -3.884 17.245 20.465 517 HB3 ASP 75 3HB ASP 75 -5.158 16.996 19.274 518 H PHE 76 H PHE 76 -3.232 14.747 22.424 519 HA PHE 76 HA PHE 76 -4.959 15.299 24.722 520 HB2 PHE 76 2HB PHE 76 -4.974 12.812 24.009 521 HB3 PHE 76 3HB PHE 76 -3.332 12.771 24.643 522 HD1 PHE 76 HD1 PHE 76 -6.792 13.740 25.614 523 HD2 PHE 76 HD2 PHE 76 -2.989 12.307 26.877 524 HE1 PHE 76 HE1 PHE 76 -7.683 13.382 27.879 525 HE2 PHE 76 HE2 PHE 76 -3.873 11.946 29.144 526 HZ PHE 76 HZ PHE 76 -6.223 12.483 29.648 527 H GLU 77 H GLU 77 -3.923 16.273 26.359 528 HA GLU 77 HA GLU 77 -1.091 16.826 26.039 529 HB2 GLU 77 2HB GLU 77 -1.456 18.370 27.975 530 HB3 GLU 77 3HB GLU 77 -2.461 18.715 26.575 531 HG2 GLU 77 2HG GLU 77 -3.699 16.907 28.506 532 HG3 GLU 77 3HG GLU 77 -3.343 18.512 29.143 533 H TYR 78 H TYR 78 0.520 16.186 27.400 534 HA TYR 78 HA TYR 78 -0.088 14.767 29.851 535 HB2 TYR 78 2HB TYR 78 0.070 13.249 27.579 536 HB3 TYR 78 3HB TYR 78 1.731 13.197 28.156 537 HD1 TYR 78 HD2 TYR 78 -1.778 12.615 29.249 538 HD2 TYR 78 HD1 TYR 78 2.336 11.723 29.864 539 HE1 TYR 78 HE2 TYR 78 -2.404 10.877 30.872 540 HE2 TYR 78 HE1 TYR 78 1.722 9.982 31.488 541 HH TYR 78 HH TYR 78 -0.360 9.570 33.047 542 H THR 79 H THR 79 2.107 13.871 30.768 543 HA THR 79 HA THR 79 4.050 16.062 30.504 544 HB THR 79 HB THR 79 3.241 15.896 32.751 545 HG1 THR 79 HG1 THR 79 5.196 15.649 33.777 546 HG21 THR 79 3HG2 THR 79 3.946 13.551 33.884 547 HG22 THR 79 1HG2 THR 79 3.519 12.996 32.265 548 HG23 THR 79 2HG2 THR 79 2.338 13.876 33.236 549 H THR 80 H THR 80 4.554 14.634 28.476 550 HA THR 80 HA THR 80 6.118 12.275 28.961 551 HB THR 80 HB THR 80 5.913 13.910 26.425 552 HG1 THR 80 HG1 THR 80 4.000 13.045 26.240 553 HG21 THR 80 3HG2 THR 80 7.812 12.459 26.321 554 HG22 THR 80 1HG2 THR 80 6.528 11.720 25.365 555 HG23 THR 80 2HG2 THR 80 6.887 11.110 26.980 556 H ASN 81 H ASN 81 6.856 15.582 27.862 557 HA ASN 81 HA ASN 81 9.691 15.130 27.950 558 HB2 ASN 81 2HB ASN 81 8.922 16.703 26.331 559 HB3 ASN 81 3HB ASN 81 8.007 17.601 27.539 560 HD21 ASN 81 1HD2 ASN 81 11.219 16.810 26.393 561 HD22 ASN 81 2HD2 ASN 81 12.011 18.176 27.092 562 H ASP 82 H ASP 82 7.278 16.593 30.041 563 HA ASP 82 HA ASP 82 8.691 16.201 32.398 564 HB2 ASP 82 2HB ASP 82 9.681 18.431 30.930 565 HB3 ASP 82 3HB ASP 82 8.841 19.051 32.348 566 H GLY 83 H GLY 83 6.386 18.150 30.620 567 HA2 GLY 83 2HA GLY 83 4.295 17.657 32.444 568 HA3 GLY 83 3HA GLY 83 4.958 19.253 32.762 569 HA PRO 84 HA PRO 84 2.491 20.996 29.594 570 HB2 PRO 84 2HB PRO 84 4.137 22.875 28.532 571 HB3 PRO 84 3HB PRO 84 3.403 23.035 30.132 572 HG2 PRO 84 2HG PRO 84 6.163 22.141 29.395 573 HG3 PRO 84 3HG PRO 84 5.650 23.232 30.696 574 HD2 PRO 84 2HD PRO 84 6.271 20.633 31.134 575 HD3 PRO 84 3HD PRO 84 5.044 21.495 32.084 576 H ARG 85 H ARG 85 2.779 18.796 28.473 577 HA ARG 85 HA ARG 85 3.972 19.285 25.831 578 HB2 ARG 85 2HB ARG 85 5.498 17.803 26.963 579 HB3 ARG 85 3HB ARG 85 4.178 16.760 27.475 580 HG2 ARG 85 2HG ARG 85 5.344 15.722 25.657 581 HG3 ARG 85 3HG ARG 85 3.742 16.214 25.105 582 HD2 ARG 85 2HD ARG 85 5.157 16.869 23.370 583 HD3 ARG 85 3HD ARG 85 4.897 18.352 24.287 584 HE ARG 85 HE ARG 85 7.178 17.178 25.320 585 HH11 ARG 85 1HH1 ARG 85 6.111 18.459 22.264 586 HH12 ARG 85 2HH1 ARG 85 7.698 18.944 21.765 587 HH21 ARG 85 1HH2 ARG 85 9.272 17.811 24.675 588 HH22 ARG 85 2HH2 ARG 85 9.495 18.574 23.137 589 H ASP 86 H ASP 86 2.916 18.304 24.078 590 HA ASP 86 HA ASP 86 0.346 17.009 24.662 591 HB2 ASP 86 2HB ASP 86 -0.603 18.353 22.707 592 HB3 ASP 86 3HB ASP 86 -0.341 19.225 24.215 593 H LYS 87 H LYS 87 -0.143 15.323 23.374 594 HA LYS 87 HA LYS 87 1.449 14.922 20.936 595 HB2 LYS 87 2HB LYS 87 2.441 13.561 22.715 596 HB3 LYS 87 3HB LYS 87 0.876 12.829 23.044 597 HG2 LYS 87 2HG LYS 87 1.005 11.433 21.281 598 HG3 LYS 87 3HG LYS 87 1.840 12.613 20.267 599 HD2 LYS 87 2HD LYS 87 3.562 11.908 22.418 600 HD3 LYS 87 3HD LYS 87 2.936 10.421 21.703 601 HE2 LYS 87 2HE LYS 87 3.952 10.799 19.695 602 HE3 LYS 87 3HE LYS 87 3.874 12.552 19.861 603 HZ1 LYS 87 3HZ LYS 87 6.139 11.378 20.052 604 HZ2 LYS 87 1HZ LYS 87 5.637 10.972 21.616 605 HZ3 LYS 87 2HZ LYS 87 5.762 12.597 21.163 606 H LEU 88 H LEU 88 0.392 13.970 19.235 607 HA LEU 88 HA LEU 88 -2.496 13.551 19.608 608 HB2 LEU 88 2HB LEU 88 -1.128 15.169 17.823 609 HB3 LEU 88 3HB LEU 88 -1.594 13.770 16.858 610 HG LEU 88 HG LEU 88 -3.586 15.302 18.507 611 HD11 LEU 88 1HD1 LEU 88 -3.497 15.816 15.618 612 HD12 LEU 88 2HD1 LEU 88 -2.165 16.507 16.543 613 HD13 LEU 88 3HD1 LEU 88 -3.830 16.910 16.960 614 HD21 LEU 88 3HD2 LEU 88 -4.027 12.964 17.578 615 HD22 LEU 88 1HD2 LEU 88 -4.026 13.728 15.988 616 HD23 LEU 88 2HD2 LEU 88 -5.206 14.222 17.203 617 H ILE 89 H ILE 89 -3.446 11.671 18.999 618 HA ILE 89 HA ILE 89 -1.665 9.571 17.948 619 HB ILE 89 HB ILE 89 -4.151 9.099 19.587 620 HG12 ILE 89 2HG1 ILE 89 -2.179 8.443 21.286 621 HG13 ILE 89 3HG1 ILE 89 -1.368 9.737 20.411 622 HG21 ILE 89 1HG2 ILE 89 -2.039 7.405 18.386 623 HG22 ILE 89 2HG2 ILE 89 -2.650 6.935 19.971 624 HG23 ILE 89 3HG2 ILE 89 -3.759 7.087 18.608 625 HD11 ILE 89 3HD1 ILE 89 -4.108 10.183 21.492 626 HD12 ILE 89 1HD1 ILE 89 -2.713 10.256 22.568 627 HD13 ILE 89 2HD1 ILE 89 -2.817 11.343 21.183 628 H LEU 90 H LEU 90 -2.481 8.123 16.408 629 HA LEU 90 HA LEU 90 -4.932 9.034 15.049 630 HB2 LEU 90 2HB LEU 90 -2.681 9.348 13.885 631 HB3 LEU 90 3HB LEU 90 -2.659 7.593 13.716 632 HG LEU 90 HG LEU 90 -5.070 8.137 12.641 633 HD11 LEU 90 1HD1 LEU 90 -4.401 10.126 11.050 634 HD12 LEU 90 2HD1 LEU 90 -3.439 10.615 12.444 635 HD13 LEU 90 3HD1 LEU 90 -5.184 10.417 12.603 636 HD21 LEU 90 3HD2 LEU 90 -2.720 8.497 10.858 637 HD22 LEU 90 1HD2 LEU 90 -4.134 7.459 10.675 638 HD23 LEU 90 2HD2 LEU 90 -2.841 6.999 11.783 639 H ILE 91 H ILE 91 -6.550 7.637 15.142 640 HA ILE 91 HA ILE 91 -5.920 4.767 15.382 641 HB ILE 91 HB ILE 91 -8.331 6.235 16.458 642 HG12 ILE 91 2HG1 ILE 91 -7.188 5.094 18.610 643 HG13 ILE 91 3HG1 ILE 91 -5.748 5.356 17.632 644 HG21 ILE 91 1HG2 ILE 91 -7.620 3.331 16.308 645 HG22 ILE 91 2HG2 ILE 91 -8.661 3.940 17.594 646 HG23 ILE 91 3HG2 ILE 91 -9.141 4.129 15.907 647 HD11 ILE 91 3HD1 ILE 91 -6.534 7.759 17.406 648 HD12 ILE 91 1HD1 ILE 91 -7.672 7.388 18.701 649 HD13 ILE 91 2HD1 ILE 91 -5.937 7.251 18.986 650 H SER 92 H SER 92 -6.711 3.432 13.879 651 HA SER 92 HA SER 92 -8.476 4.571 11.832 652 HB2 SER 92 2HB SER 92 -7.476 1.944 11.178 653 HB3 SER 92 3HB SER 92 -7.210 3.474 10.343 654 HG SER 92 HG SER 92 -5.612 2.143 12.166 655 H TRP 93 H TRP 93 -10.522 3.937 11.643 656 HA TRP 93 HA TRP 93 -11.376 1.552 13.147 657 HB2 TRP 93 2HB TRP 93 -12.253 3.997 13.657 658 HB3 TRP 93 3HB TRP 93 -13.323 3.654 12.301 659 HD1 TRP 93 HD1 TRP 93 -12.381 2.076 15.718 660 HE1 TRP 93 HE1 TRP 93 -14.475 0.907 16.653 661 HE3 TRP 93 HE3 TRP 93 -15.562 2.848 11.791 662 HZ2 TRP 93 HZ2 TRP 93 -17.124 0.381 15.833 663 HZ3 TRP 93 HZ3 TRP 93 -17.859 1.980 11.945 664 HH2 TRP 93 HH2 TRP 93 -18.622 0.771 13.925 665 H ASN 94 H ASN 94 -11.774 -0.131 11.881 666 HA ASN 94 HA ASN 94 -13.670 -0.177 9.853 667 HB2 ASN 94 2HB ASN 94 -12.047 -0.594 7.897 668 HB3 ASN 94 3HB ASN 94 -12.320 1.074 8.391 669 HD21 ASN 94 1HD2 ASN 94 -10.599 2.279 8.735 670 HD22 ASN 94 2HD2 ASN 94 -8.995 1.700 9.014 671 HA PRO 95 HA PRO 95 -13.166 -4.493 10.471 672 HB2 PRO 95 2HB PRO 95 -14.093 -5.492 8.124 673 HB3 PRO 95 3HB PRO 95 -15.149 -4.772 9.345 674 HG2 PRO 95 2HG PRO 95 -14.048 -3.559 6.840 675 HG3 PRO 95 3HG PRO 95 -15.685 -3.445 7.513 676 HD2 PRO 95 2HD PRO 95 -13.854 -1.469 7.791 677 HD3 PRO 95 3HD PRO 95 -15.085 -1.811 9.024 678 H ASP 96 H ASP 96 -11.442 -5.785 10.414 679 HA ASP 96 HA ASP 96 -9.236 -5.296 8.716 680 HB2 ASP 96 2HB ASP 96 -8.379 -7.483 9.681 681 HB3 ASP 96 3HB ASP 96 -8.781 -6.230 10.853 682 H SER 97 H SER 97 -11.788 -7.740 8.689 683 HA SER 97 HA SER 97 -10.774 -8.705 6.101 684 HB2 SER 97 2HB SER 97 -11.798 -10.067 8.420 685 HB3 SER 97 3HB SER 97 -12.813 -10.428 7.024 686 HG SER 97 HG SER 97 -10.873 -11.001 5.903 687 H GLY 98 H GLY 98 -12.664 -6.381 6.944 688 HA2 GLY 98 2HA GLY 98 -15.245 -6.880 6.015 689 HA3 GLY 98 3HA GLY 98 -14.457 -5.309 5.995 690 H ALA 99 H ALA 99 -13.579 -4.530 4.107 691 HA ALA 99 HA ALA 99 -14.169 -6.124 1.700 692 HB1 ALA 99 1HB ALA 99 -14.420 -3.221 2.297 693 HB2 ALA 99 2HB ALA 99 -14.045 -3.715 0.645 694 HB3 ALA 99 3HB ALA 99 -15.515 -4.296 1.427 695 HA PRO 100 HA PRO 100 -9.956 -6.093 0.472 696 HB2 PRO 100 2HB PRO 100 -10.143 -5.755 -2.215 697 HB3 PRO 100 3HB PRO 100 -10.597 -7.257 -1.402 698 HG2 PRO 100 2HG PRO 100 -12.340 -5.019 -2.357 699 HG3 PRO 100 3HG PRO 100 -12.591 -6.769 -2.495 700 HD2 PRO 100 2HD PRO 100 -13.822 -5.264 -0.610 701 HD3 PRO 100 3HD PRO 100 -13.360 -6.955 -0.330 702 H ARG 101 H ARG 101 -11.880 -3.466 -0.951 703 HA ARG 101 HA ARG 101 -9.677 -1.811 -1.599 704 HB2 ARG 101 2HB ARG 101 -12.622 -1.501 -1.453 705 HB3 ARG 101 3HB ARG 101 -11.673 -0.024 -1.351 706 HG2 ARG 101 2HG ARG 101 -12.311 -0.428 -3.635 707 HG3 ARG 101 3HG ARG 101 -10.565 -0.618 -3.466 708 HD2 ARG 101 2HD ARG 101 -10.636 -2.769 -4.070 709 HD3 ARG 101 3HD ARG 101 -12.022 -3.099 -3.032 710 HE ARG 101 HE ARG 101 -12.894 -1.647 -5.265 711 HH11 ARG 101 1HH1 ARG 101 -11.628 -4.786 -4.451 712 HH12 ARG 101 2HH1 ARG 101 -12.433 -5.593 -5.756 713 HH21 ARG 101 1HH2 ARG 101 -13.960 -2.698 -6.986 714 HH22 ARG 101 2HH2 ARG 101 -13.759 -4.404 -7.198 715 H THR 102 H THR 102 -11.834 -1.958 1.205 716 HA THR 102 HA THR 102 -10.751 0.292 2.540 717 HB THR 102 HB THR 102 -12.194 -2.088 3.724 718 HG1 THR 102 HG1 THR 102 -13.188 -0.547 2.028 719 HG21 THR 102 3HG2 THR 102 -10.928 0.156 4.951 720 HG22 THR 102 1HG2 THR 102 -11.845 -1.144 5.710 721 HG23 THR 102 2HG2 THR 102 -12.673 0.309 5.151 722 H LYS 103 H LYS 103 -9.988 -3.149 2.597 723 HA LYS 103 HA LYS 103 -8.188 -3.047 4.783 724 HB2 LYS 103 2HB LYS 103 -9.071 -5.172 4.202 725 HB3 LYS 103 3HB LYS 103 -8.572 -5.004 2.524 726 HG2 LYS 103 2HG LYS 103 -6.562 -5.861 2.934 727 HG3 LYS 103 3HG LYS 103 -6.331 -4.847 4.361 728 HD2 LYS 103 2HD LYS 103 -6.922 -6.497 5.755 729 HD3 LYS 103 3HD LYS 103 -8.308 -6.953 4.762 730 HE2 LYS 103 2HE LYS 103 -7.099 -8.468 3.532 731 HE3 LYS 103 3HE LYS 103 -5.573 -7.625 3.794 732 HZ1 LYS 103 3HZ LYS 103 -7.035 -9.180 5.859 733 HZ2 LYS 103 1HZ LYS 103 -5.534 -8.424 6.055 734 HZ3 LYS 103 2HZ LYS 103 -5.690 -9.734 4.997 735 H MET 104 H MET 104 -7.705 -2.944 1.266 736 HA MET 104 HA MET 104 -4.872 -2.709 1.429 737 HB2 MET 104 2HB MET 104 -6.038 -3.567 -0.571 738 HB3 MET 104 3HB MET 104 -6.728 -1.972 -0.842 739 HG2 MET 104 2HG MET 104 -4.973 -1.507 -2.100 740 HG3 MET 104 3HG MET 104 -3.986 -1.544 -0.640 741 HE1 MET 104 3HE MET 104 -2.763 -1.685 -3.007 742 HE2 MET 104 1HE MET 104 -1.571 -2.919 -2.598 743 HE3 MET 104 2HE MET 104 -2.647 -3.156 -3.975 744 H LEU 105 H LEU 105 -7.518 -0.391 1.049 745 HA LEU 105 HA LEU 105 -6.049 1.912 0.561 746 HB2 LEU 105 2HB LEU 105 -8.685 1.353 1.828 747 HB3 LEU 105 3HB LEU 105 -8.022 2.981 1.942 748 HG LEU 105 HG LEU 105 -8.359 1.594 -0.702 749 HD11 LEU 105 1HD1 LEU 105 -10.539 2.226 -0.902 750 HD12 LEU 105 2HD1 LEU 105 -10.381 3.547 0.254 751 HD13 LEU 105 3HD1 LEU 105 -10.494 1.883 0.828 752 HD21 LEU 105 3HD2 LEU 105 -7.308 4.094 0.174 753 HD22 LEU 105 1HD2 LEU 105 -8.760 4.390 -0.782 754 HD23 LEU 105 2HD2 LEU 105 -7.430 3.456 -1.467 755 H TYR 106 H TYR 106 -6.538 0.153 3.530 756 HA TYR 106 HA TYR 106 -5.836 2.116 5.390 757 HB2 TYR 106 2HB TYR 106 -6.775 0.063 6.174 758 HB3 TYR 106 3HB TYR 106 -5.490 -0.883 5.433 759 HD1 TYR 106 HD1 TYR 106 -5.934 1.840 7.955 760 HD2 TYR 106 HD2 TYR 106 -3.774 -1.634 6.784 761 HE1 TYR 106 HE1 TYR 106 -4.666 1.925 10.062 762 HE2 TYR 106 HE2 TYR 106 -2.502 -1.559 8.887 763 HH TYR 106 HH TYR 106 -1.982 -0.268 10.680 764 H SER 107 H SER 107 -3.861 0.073 3.338 765 HA SER 107 HA SER 107 -1.416 1.110 4.569 766 HB2 SER 107 2HB SER 107 -0.369 -0.554 2.857 767 HB3 SER 107 3HB SER 107 -1.183 -1.196 4.284 768 HG SER 107 HG SER 107 -2.205 -2.307 2.794 769 H SER 108 H SER 108 -3.312 1.280 1.652 770 HA SER 108 HA SER 108 -1.350 2.435 -0.029 771 HB2 SER 108 2HB SER 108 -4.175 1.815 -0.170 772 HB3 SER 108 3HB SER 108 -3.843 3.391 -0.887 773 HG SER 108 HG SER 108 -2.763 0.874 -1.585 774 H SER 109 H SER 109 -3.416 3.715 2.443 775 HA SER 109 HA SER 109 -2.791 6.468 1.662 776 HB2 SER 109 2HB SER 109 -5.159 5.754 2.258 777 HB3 SER 109 3HB SER 109 -4.595 5.593 3.921 778 HG SER 109 HG SER 109 -5.284 7.636 3.853 779 H ARG 110 H ARG 110 -2.237 4.110 4.190 780 HA ARG 110 HA ARG 110 -1.196 5.742 6.186 781 HB2 ARG 110 2HB ARG 110 -1.121 2.902 5.507 782 HB3 ARG 110 3HB ARG 110 0.332 3.442 6.337 783 HG2 ARG 110 2HG ARG 110 -1.272 4.498 8.038 784 HG3 ARG 110 3HG ARG 110 -2.500 3.466 7.303 785 HD2 ARG 110 2HD ARG 110 0.033 2.636 8.699 786 HD3 ARG 110 3HD ARG 110 -1.630 2.280 9.164 787 HE ARG 110 HE ARG 110 -1.444 1.121 6.743 788 HH11 ARG 110 1HH1 ARG 110 0.569 0.979 9.581 789 HH12 ARG 110 2HH1 ARG 110 1.112 -0.637 9.273 790 HH21 ARG 110 1HH2 ARG 110 -0.735 -1.007 6.328 791 HH22 ARG 110 2HH2 ARG 110 0.371 -1.765 7.423 792 H ASP 111 H ASP 111 0.361 4.370 3.333 793 HA ASP 111 HA ASP 111 3.007 5.075 3.961 794 HB2 ASP 111 2HB ASP 111 2.059 3.565 2.057 795 HB3 ASP 111 3HB ASP 111 1.994 5.065 1.136 796 H ALA 112 H ALA 112 0.433 6.845 2.313 797 HA ALA 112 HA ALA 112 2.115 9.106 1.724 798 HB1 ALA 112 1HB ALA 112 -0.538 8.219 1.032 799 HB2 ALA 112 2HB ALA 112 -0.544 9.919 1.506 800 HB3 ALA 112 3HB ALA 112 0.514 9.369 0.206 801 H LEU 113 H LEU 113 0.114 8.083 4.347 802 HA LEU 113 HA LEU 113 -0.158 10.724 5.490 803 HB2 LEU 113 2HB LEU 113 -1.228 8.066 5.980 804 HB3 LEU 113 3HB LEU 113 -0.785 8.900 7.469 805 HG LEU 113 HG LEU 113 -2.268 10.705 5.842 806 HD11 LEU 113 1HD1 LEU 113 -4.106 9.610 5.131 807 HD12 LEU 113 2HD1 LEU 113 -4.057 8.443 6.452 808 HD13 LEU 113 3HD1 LEU 113 -2.997 8.240 5.057 809 HD21 LEU 113 3HD2 LEU 113 -3.911 10.146 7.871 810 HD22 LEU 113 1HD2 LEU 113 -2.470 11.145 8.056 811 HD23 LEU 113 2HD2 LEU 113 -2.426 9.442 8.514 812 H VAL 114 H VAL 114 2.013 8.037 5.708 813 HA VAL 114 HA VAL 114 3.147 8.334 8.203 814 HB VAL 114 HB VAL 114 4.192 7.394 5.579 815 HG11 VAL 114 1HG1 VAL 114 6.384 6.878 6.797 816 HG12 VAL 114 2HG1 VAL 114 6.134 8.530 6.228 817 HG13 VAL 114 3HG1 VAL 114 5.900 8.137 7.932 818 HG21 VAL 114 3HG2 VAL 114 3.070 6.249 7.884 819 HG22 VAL 114 1HG2 VAL 114 3.722 5.415 6.473 820 HG23 VAL 114 2HG2 VAL 114 4.760 5.747 7.859 821 HA PRO 115 HA PRO 115 6.192 11.632 6.390 822 HB2 PRO 115 2HB PRO 115 5.545 12.710 3.984 823 HB3 PRO 115 3HB PRO 115 6.552 11.267 4.151 824 HG2 PRO 115 2HG PRO 115 3.634 11.479 3.514 825 HG3 PRO 115 3HG PRO 115 4.865 10.430 2.786 826 HD2 PRO 115 2HD PRO 115 3.119 9.546 4.658 827 HD3 PRO 115 3HD PRO 115 4.770 8.907 4.514 828 H LEU 116 H LEU 116 2.767 11.990 5.612 829 HA LEU 116 HA LEU 116 2.640 14.799 5.916 830 HB2 LEU 116 2HB LEU 116 0.948 13.023 4.929 831 HB3 LEU 116 3HB LEU 116 0.292 13.092 6.563 832 HG LEU 116 HG LEU 116 -0.985 14.575 5.217 833 HD11 LEU 116 1HD1 LEU 116 -0.036 15.328 7.519 834 HD12 LEU 116 2HD1 LEU 116 -0.879 16.489 6.495 835 HD13 LEU 116 3HD1 LEU 116 0.883 16.482 6.554 836 HD21 LEU 116 3HD2 LEU 116 1.258 16.336 4.466 837 HD22 LEU 116 1HD2 LEU 116 -0.201 15.907 3.573 838 HD23 LEU 116 2HD2 LEU 116 1.165 14.792 3.618 839 H THR 117 H THR 117 2.106 12.114 8.155 840 HA THR 117 HA THR 117 2.268 14.041 10.374 841 HB THR 117 HB THR 117 0.627 12.766 11.649 842 HG1 THR 117 HG1 THR 117 0.168 10.804 11.029 843 HG21 THR 117 3HG2 THR 117 -1.391 13.266 10.290 844 HG22 THR 117 1HG2 THR 117 -0.343 13.572 8.905 845 HG23 THR 117 2HG2 THR 117 -0.237 14.599 10.335 846 H GLN 118 H GLN 118 4.569 13.265 10.101 847 HA GLN 118 HA GLN 118 5.122 10.584 11.037 848 HB2 GLN 118 2HB GLN 118 6.494 12.435 9.475 849 HB3 GLN 118 3HB GLN 118 7.406 12.378 10.977 850 HG2 GLN 118 2HG GLN 118 7.515 9.911 10.757 851 HG3 GLN 118 3HG GLN 118 6.732 10.060 9.184 852 HE21 GLN 118 1HE2 GLN 118 8.318 9.438 7.848 853 HE22 GLN 118 2HE2 GLN 118 9.862 10.204 7.726 854 H GLY 119 H GLY 119 5.297 10.028 13.102 855 HA2 GLY 119 2HA GLY 119 6.646 10.679 15.166 856 HA3 GLY 119 3HA GLY 119 5.722 12.171 15.084 857 H PHE 120 H PHE 120 3.206 11.207 14.461 858 HA PHE 120 HA PHE 120 2.322 10.335 17.023 859 HB2 PHE 120 2HB PHE 120 0.712 10.410 14.467 860 HB3 PHE 120 3HB PHE 120 0.097 10.461 16.116 861 HD1 PHE 120 HD2 PHE 120 1.894 12.433 17.349 862 HD2 PHE 120 HD1 PHE 120 0.033 12.411 13.521 863 HE1 PHE 120 HE2 PHE 120 1.972 14.892 17.301 864 HE2 PHE 120 HE1 PHE 120 0.109 14.870 13.467 865 HZ PHE 120 HZ PHE 120 1.079 16.113 15.359 866 H GLN 121 H GLN 121 1.019 8.423 17.439 867 HA GLN 121 HA GLN 121 2.149 6.089 16.099 868 HB2 GLN 121 2HB GLN 121 0.732 6.520 18.710 869 HB3 GLN 121 3HB GLN 121 0.882 4.904 18.032 870 HG2 GLN 121 2HG GLN 121 3.335 6.559 18.257 871 HG3 GLN 121 3HG GLN 121 2.647 5.876 19.729 872 HE21 GLN 121 1HE2 GLN 121 5.159 5.183 18.796 873 HE22 GLN 121 2HE2 GLN 121 5.139 3.529 18.299 874 H GLY 122 H GLY 122 0.920 4.484 15.135 875 HA2 GLY 122 2HA GLY 122 -1.863 5.265 14.532 876 HA3 GLY 122 3HA GLY 122 -0.822 4.379 13.429 877 H ILE 123 H ILE 123 -3.452 3.992 15.201 878 HA ILE 123 HA ILE 123 -2.841 1.170 15.780 879 HB ILE 123 HB ILE 123 -4.814 2.751 17.407 880 HG12 ILE 123 2HG1 ILE 123 -2.676 3.868 17.693 881 HG13 ILE 123 3HG1 ILE 123 -3.050 2.942 19.143 882 HG21 ILE 123 1HG2 ILE 123 -3.354 0.151 17.836 883 HG22 ILE 123 2HG2 ILE 123 -4.377 0.932 19.041 884 HG23 ILE 123 3HG2 ILE 123 -5.076 0.367 17.524 885 HD11 ILE 123 3HD1 ILE 123 -1.120 1.888 18.980 886 HD12 ILE 123 1HD1 ILE 123 -1.555 1.292 17.379 887 HD13 ILE 123 2HD1 ILE 123 -0.730 2.842 17.549 888 H GLN 124 H GLN 124 -4.033 -0.148 14.587 889 HA GLN 124 HA GLN 124 -6.565 0.837 13.478 890 HB2 GLN 124 2HB GLN 124 -6.319 -1.170 11.944 891 HB3 GLN 124 3HB GLN 124 -5.131 0.111 11.743 892 HG2 GLN 124 2HG GLN 124 -3.497 -1.163 12.990 893 HG3 GLN 124 3HG GLN 124 -4.687 -2.426 13.299 894 HE21 GLN 124 1HE2 GLN 124 -2.093 -2.536 11.935 895 HE22 GLN 124 2HE2 GLN 124 -2.417 -3.171 10.361 896 H ALA 125 H ALA 125 -8.357 0.227 14.476 897 HA ALA 125 HA ALA 125 -8.655 -2.532 15.358 898 HB1 ALA 125 1HB ALA 125 -8.030 -1.856 17.440 899 HB2 ALA 125 2HB ALA 125 -8.565 -0.195 17.184 900 HB3 ALA 125 3HB ALA 125 -9.747 -1.460 17.520 901 H ASN 126 H ASN 126 -10.653 -3.292 14.983 902 HA ASN 126 HA ASN 126 -12.652 -1.400 13.987 903 HB2 ASN 126 2HB ASN 126 -13.554 -3.128 12.732 904 HB3 ASN 126 3HB ASN 126 -11.850 -3.571 12.758 905 HD21 ASN 126 1HD2 ASN 126 -11.171 -5.204 14.247 906 HD22 ASN 126 2HD2 ASN 126 -12.285 -6.418 14.767 907 H ASP 127 H ASP 127 -14.876 -1.597 14.629 908 HA ASP 127 HA ASP 127 -16.561 -1.739 16.151 909 HB2 ASP 127 2HB ASP 127 -15.513 -4.264 16.044 910 HB3 ASP 127 3HB ASP 127 -15.378 -3.899 17.762 911 H ALA 128 H ALA 128 -16.554 -2.413 18.867 912 HA ALA 128 HA ALA 128 -15.799 -0.050 20.083 913 HB1 ALA 128 1HB ALA 128 -17.381 -1.621 21.074 914 HB2 ALA 128 2HB ALA 128 -16.070 -2.761 21.378 915 HB3 ALA 128 3HB ALA 128 -16.099 -1.208 22.214 916 H SER 129 H SER 129 -13.881 -2.841 19.342 917 HA SER 129 HA SER 129 -11.788 -2.527 21.171 918 HB2 SER 129 2HB SER 129 -12.296 -4.066 18.787 919 HB3 SER 129 3HB SER 129 -10.645 -3.447 18.763 920 HG SER 129 HG SER 129 -10.149 -4.790 20.295 921 H GLY 130 H GLY 130 -12.652 -0.682 18.394 922 HA2 GLY 130 2HA GLY 130 -10.022 0.638 18.361 923 HA3 GLY 130 3HA GLY 130 -11.232 0.741 17.090 924 H LEU 131 H LEU 131 -12.348 1.031 20.327 925 HA LEU 131 HA LEU 131 -12.360 3.962 20.125 926 HB2 LEU 131 2HB LEU 131 -14.728 2.374 21.078 927 HB3 LEU 131 3HB LEU 131 -14.645 4.103 20.746 928 HG LEU 131 HG LEU 131 -14.535 1.895 18.691 929 HD11 LEU 131 1HD1 LEU 131 -16.752 1.931 19.164 930 HD12 LEU 131 2HD1 LEU 131 -16.703 3.299 18.053 931 HD13 LEU 131 3HD1 LEU 131 -16.707 3.578 19.795 932 HD21 LEU 131 3HD2 LEU 131 -15.067 4.322 17.454 933 HD22 LEU 131 1HD2 LEU 131 -13.556 3.414 17.393 934 HD23 LEU 131 2HD2 LEU 131 -13.773 4.685 18.597 935 H ASP 132 H ASP 132 -10.821 1.939 21.700 936 HA ASP 132 HA ASP 132 -11.734 2.342 24.423 937 HB2 ASP 132 2HB ASP 132 -10.214 0.383 23.144 938 HB3 ASP 132 3HB ASP 132 -9.060 1.236 24.166 939 H PHE 133 H PHE 133 -11.438 4.335 25.207 940 HA PHE 133 HA PHE 133 -9.478 6.159 24.399 941 HB2 PHE 133 2HB PHE 133 -11.367 5.953 26.686 942 HB3 PHE 133 3HB PHE 133 -10.025 7.079 26.856 943 HD1 PHE 133 HD1 PHE 133 -12.930 6.207 24.741 944 HD2 PHE 133 HD2 PHE 133 -10.045 9.161 25.774 945 HE1 PHE 133 HE1 PHE 133 -14.171 7.875 23.425 946 HE2 PHE 133 HE2 PHE 133 -11.282 10.834 24.461 947 HZ PHE 133 HZ PHE 133 -13.349 10.192 23.285 948 H GLU 134 H GLU 134 -9.532 3.879 27.107 949 HA GLU 134 HA GLU 134 -7.177 4.671 28.370 950 HB2 GLU 134 2HB GLU 134 -9.029 2.540 28.593 951 HB3 GLU 134 3HB GLU 134 -7.428 1.819 28.497 952 HG2 GLU 134 2HG GLU 134 -6.677 3.108 30.380 953 HG3 GLU 134 3HG GLU 134 -8.201 3.991 30.429 954 H GLU 135 H GLU 135 -7.694 2.623 25.569 955 HA GLU 135 HA GLU 135 -5.064 1.584 25.406 956 HB2 GLU 135 2HB GLU 135 -7.112 0.668 24.248 957 HB3 GLU 135 3HB GLU 135 -6.978 2.000 23.109 958 HG2 GLU 135 2HG GLU 135 -5.906 0.319 21.983 959 HG3 GLU 135 3HG GLU 135 -4.555 1.125 22.778 960 H ILE 136 H ILE 136 -6.634 4.426 24.016 961 HA ILE 136 HA ILE 136 -4.473 5.210 22.363 962 HB ILE 136 HB ILE 136 -6.673 6.903 23.554 963 HG12 ILE 136 2HG1 ILE 136 -6.489 5.778 20.760 964 HG13 ILE 136 3HG1 ILE 136 -7.320 4.940 22.066 965 HG21 ILE 136 1HG2 ILE 136 -4.845 8.304 22.861 966 HG22 ILE 136 2HG2 ILE 136 -4.739 7.466 21.313 967 HG23 ILE 136 3HG2 ILE 136 -6.154 8.450 21.687 968 HD11 ILE 136 3HD1 ILE 136 -8.897 6.158 20.712 969 HD12 ILE 136 1HD1 ILE 136 -8.812 6.870 22.323 970 HD13 ILE 136 2HD1 ILE 136 -8.001 7.656 20.968 971 H SER 137 H SER 137 -5.482 6.226 25.616 972 HA SER 137 HA SER 137 -3.443 8.125 26.006 973 HB2 SER 137 2HB SER 137 -5.337 6.650 27.773 974 HB3 SER 137 3HB SER 137 -3.957 7.444 28.532 975 HG SER 137 HG SER 137 -5.978 8.623 26.931 976 H ARG 138 H ARG 138 -3.605 4.663 26.651 977 HA ARG 138 HA ARG 138 -1.146 4.498 28.058 978 HB2 ARG 138 2HB ARG 138 -3.095 2.800 27.963 979 HB3 ARG 138 3HB ARG 138 -2.334 2.231 26.483 980 HG2 ARG 138 2HG ARG 138 -0.641 2.487 28.906 981 HG3 ARG 138 3HG ARG 138 -1.800 1.158 28.832 982 HD2 ARG 138 2HD ARG 138 -0.692 1.000 26.369 983 HD3 ARG 138 3HD ARG 138 0.675 1.609 27.302 984 HE ARG 138 HE ARG 138 -0.496 -1.012 27.450 985 HH11 ARG 138 1HH1 ARG 138 1.371 1.392 29.139 986 HH12 ARG 138 2HH1 ARG 138 2.134 0.247 30.192 987 HH21 ARG 138 1HH2 ARG 138 0.502 -2.529 28.830 988 HH22 ARG 138 2HH2 ARG 138 1.640 -1.983 30.015 989 H LYS 139 H LYS 139 -2.041 4.199 24.666 990 HA LYS 139 HA LYS 139 0.450 3.245 23.730 991 HB2 LYS 139 2HB LYS 139 -2.057 4.145 22.590 992 HB3 LYS 139 3HB LYS 139 -0.690 4.734 21.653 993 HG2 LYS 139 2HG LYS 139 -1.542 2.592 20.823 994 HG3 LYS 139 3HG LYS 139 0.133 2.480 21.367 995 HD2 LYS 139 2HD LYS 139 -0.497 1.377 23.369 996 HD3 LYS 139 3HD LYS 139 -2.204 1.748 23.117 997 HE2 LYS 139 2HE LYS 139 -2.257 -0.372 22.340 998 HE3 LYS 139 3HE LYS 139 -1.693 0.392 20.855 999 HZ1 LYS 139 3HZ LYS 139 0.545 -0.192 21.384 1000 HZ2 LYS 139 1HZ LYS 139 -0.398 -1.590 21.523 1001 HZ3 LYS 139 2HZ LYS 139 0.105 -0.768 22.913 1002 H VAL 140 H VAL 140 -0.930 6.519 23.877 1003 HA VAL 140 HA VAL 140 1.346 7.816 22.795 1004 HB VAL 140 HB VAL 140 -0.848 8.887 22.787 1005 HG11 VAL 140 1HG1 VAL 140 -0.537 9.175 25.772 1006 HG12 VAL 140 2HG1 VAL 140 -1.894 9.718 24.783 1007 HG13 VAL 140 3HG1 VAL 140 -1.585 7.994 24.988 1008 HG21 VAL 140 3HG2 VAL 140 0.670 10.707 24.558 1009 HG22 VAL 140 1HG2 VAL 140 1.503 10.117 23.120 1010 HG23 VAL 140 2HG2 VAL 140 -0.020 10.992 22.961 1011 H LYS 141 H LYS 141 0.327 7.047 26.078 1012 HA LYS 141 HA LYS 141 2.356 8.550 27.384 1013 HB2 LYS 141 2HB LYS 141 0.338 7.920 28.570 1014 HB3 LYS 141 3HB LYS 141 0.690 6.214 28.332 1015 HG2 LYS 141 2HG LYS 141 2.727 6.484 29.708 1016 HG3 LYS 141 3HG LYS 141 2.256 8.157 30.016 1017 HD2 LYS 141 2HD LYS 141 0.279 7.467 31.162 1018 HD3 LYS 141 3HD LYS 141 0.506 5.790 30.662 1019 HE2 LYS 141 2HE LYS 141 2.801 6.080 31.920 1020 HE3 LYS 141 3HE LYS 141 1.929 7.367 32.752 1021 HZ1 LYS 141 3HZ LYS 141 1.898 4.895 33.612 1022 HZ2 LYS 141 1HZ LYS 141 0.614 4.767 32.518 1023 HZ3 LYS 141 2HZ LYS 141 0.548 5.902 33.770 1024 H SER 142 H SER 142 2.140 5.264 26.171 1025 HA SER 142 HA SER 142 4.501 4.300 27.422 1026 HB2 SER 142 2HB SER 142 2.814 3.350 25.119 1027 HB3 SER 142 3HB SER 142 4.334 2.548 25.514 1028 HG SER 142 HG SER 142 3.431 2.391 27.712 1029 H ASN 143 H ASN 143 3.826 5.833 24.324 1030 HA ASN 143 HA ASN 143 5.176 6.634 22.674 1031 HB2 ASN 143 2HB ASN 143 5.940 7.889 24.829 1032 HB3 ASN 143 3HB ASN 143 7.387 6.895 24.688 1033 HD21 ASN 143 1HD2 ASN 143 8.059 9.315 24.558 1034 HD22 ASN 143 2HD2 ASN 143 8.277 9.916 22.952 1035 H ARG 144 H ARG 144 5.180 3.787 23.077 1036 HA ARG 144 HA ARG 144 7.702 3.178 21.737 1037 HB2 ARG 144 2HB ARG 144 7.330 2.553 24.420 1038 HB3 ARG 144 3HB ARG 144 6.967 1.050 23.582 1039 HG2 ARG 144 2HG ARG 144 9.468 2.617 23.040 1040 HG3 ARG 144 3HG ARG 144 9.363 1.413 24.325 1041 HD2 ARG 144 2HD ARG 144 9.909 -0.107 22.792 1042 HD3 ARG 144 3HD ARG 144 8.300 0.132 22.111 1043 HE ARG 144 HE ARG 144 9.832 2.103 20.994 1044 HH11 ARG 144 1HH1 ARG 144 9.994 -1.371 21.156 1045 HH12 ARG 144 2HH1 ARG 144 10.795 -1.535 19.629 1046 HH21 ARG 144 1HH2 ARG 144 10.886 1.900 18.981 1047 HH22 ARG 144 2HH2 ARG 144 11.303 0.326 18.393 Start of MODEL 5 1 H MET 9 H MET 9 -8.529 0.776 -8.690 2 HA MET 9 HA MET 9 -5.708 1.419 -8.555 3 HB2 MET 9 2HB MET 9 -8.025 2.451 -7.381 4 HB3 MET 9 3HB MET 9 -7.146 1.704 -6.054 5 HG2 MET 9 2HG MET 9 -6.163 3.722 -5.960 6 HG3 MET 9 3HG MET 9 -5.133 3.023 -7.207 7 HE1 MET 9 3HE MET 9 -4.456 4.093 -8.907 8 HE2 MET 9 1HE MET 9 -5.691 3.852 -10.143 9 HE3 MET 9 2HE MET 9 -5.135 5.481 -9.758 10 H ALA 10 H ALA 10 -4.572 0.866 -6.416 11 HA ALA 10 HA ALA 10 -5.294 -1.557 -5.093 12 HB1 ALA 10 1HB ALA 10 -4.112 -3.127 -6.166 13 HB2 ALA 10 2HB ALA 10 -4.138 -2.001 -7.524 14 HB3 ALA 10 3HB ALA 10 -2.745 -2.046 -6.443 15 H MET 11 H MET 11 -2.222 -0.011 -6.056 16 HA MET 11 HA MET 11 -1.704 0.511 -3.205 17 HB2 MET 11 2HB MET 11 0.082 -0.714 -5.276 18 HB3 MET 11 3HB MET 11 0.785 0.208 -3.953 19 HG2 MET 11 2HG MET 11 -0.378 -1.279 -2.357 20 HG3 MET 11 3HG MET 11 -0.950 -2.238 -3.720 21 HE1 MET 11 3HE MET 11 0.268 -3.366 -5.277 22 HE2 MET 11 1HE MET 11 1.965 -3.848 -5.244 23 HE3 MET 11 2HE MET 11 0.792 -4.680 -4.223 24 H SER 12 H SER 12 -0.162 2.271 -2.812 25 HA SER 12 HA SER 12 0.375 4.476 -3.011 26 HB2 SER 12 2HB SER 12 1.794 3.215 -4.850 27 HB3 SER 12 3HB SER 12 0.775 4.136 -5.956 28 HG SER 12 HG SER 12 2.673 5.280 -5.432 29 H GLY 13 H GLY 13 -2.156 4.520 -2.763 30 HA2 GLY 13 2HA GLY 13 -3.120 6.344 -4.864 31 HA3 GLY 13 3HA GLY 13 -4.138 5.014 -4.332 32 H VAL 14 H VAL 14 -5.613 6.872 -3.897 33 HA VAL 14 HA VAL 14 -6.729 8.202 -2.425 34 HB VAL 14 HB VAL 14 -4.992 6.696 -0.475 35 HG11 VAL 14 1HG1 VAL 14 -6.955 8.895 -0.011 36 HG12 VAL 14 2HG1 VAL 14 -6.827 7.585 1.165 37 HG13 VAL 14 3HG1 VAL 14 -5.415 8.574 0.787 38 HG21 VAL 14 3HG2 VAL 14 -7.069 5.790 -1.921 39 HG22 VAL 14 1HG2 VAL 14 -6.683 5.204 -0.303 40 HG23 VAL 14 2HG2 VAL 14 -7.933 6.428 -0.522 41 H SER 15 H SER 15 -6.241 10.273 -2.847 42 HA SER 15 HA SER 15 -3.691 11.361 -1.899 43 HB2 SER 15 2HB SER 15 -5.380 11.866 -4.187 44 HB3 SER 15 3HB SER 15 -5.096 13.360 -3.293 45 HG SER 15 HG SER 15 -3.348 11.819 -4.759 46 H VAL 16 H VAL 16 -3.553 12.893 -0.347 47 HA VAL 16 HA VAL 16 -5.901 13.367 1.271 48 HB VAL 16 HB VAL 16 -3.822 12.899 2.414 49 HG11 VAL 16 1HG1 VAL 16 -2.412 15.361 1.951 50 HG12 VAL 16 2HG1 VAL 16 -1.855 13.697 1.757 51 HG13 VAL 16 3HG1 VAL 16 -2.683 14.512 0.430 52 HG21 VAL 16 3HG2 VAL 16 -5.558 14.728 3.189 53 HG22 VAL 16 1HG2 VAL 16 -4.071 14.436 4.091 54 HG23 VAL 16 2HG2 VAL 16 -4.174 15.800 2.977 55 H ALA 17 H ALA 17 -7.088 15.177 1.359 56 HA ALA 17 HA ALA 17 -6.635 17.237 -0.599 57 HB1 ALA 17 1HB ALA 17 -8.894 16.451 -0.141 58 HB2 ALA 17 2HB ALA 17 -8.760 17.004 1.528 59 HB3 ALA 17 3HB ALA 17 -8.746 18.174 0.209 60 H ASP 18 H ASP 18 -6.319 19.450 -0.189 61 HA ASP 18 HA ASP 18 -4.410 20.115 1.701 62 HB2 ASP 18 2HB ASP 18 -6.268 21.674 -0.028 63 HB3 ASP 18 3HB ASP 18 -5.446 22.535 1.271 64 H GLU 19 H GLU 19 -7.914 20.239 1.925 65 HA GLU 19 HA GLU 19 -8.167 21.764 4.251 66 HB2 GLU 19 2HB GLU 19 -10.350 20.589 4.537 67 HB3 GLU 19 3HB GLU 19 -10.107 21.258 2.930 68 HG2 GLU 19 2HG GLU 19 -9.393 18.990 2.176 69 HG3 GLU 19 3HG GLU 19 -9.869 18.378 3.760 70 H CYS 20 H CYS 20 -7.754 18.266 3.843 71 HA CYS 20 HA CYS 20 -7.934 17.604 6.578 72 HB2 CYS 20 2HB CYS 20 -6.511 16.166 4.328 73 HB3 CYS 20 3HB CYS 20 -6.843 15.478 5.913 74 HG CYS 20 HG CYS 20 -9.092 16.266 3.470 75 H VAL 21 H VAL 21 -5.178 18.374 4.495 76 HA VAL 21 HA VAL 21 -3.123 17.825 6.305 77 HB VAL 21 HB VAL 21 -3.127 20.013 4.223 78 HG11 VAL 21 1HG1 VAL 21 -0.646 19.352 4.185 79 HG12 VAL 21 2HG1 VAL 21 -1.223 20.327 5.538 80 HG13 VAL 21 3HG1 VAL 21 -0.967 18.594 5.745 81 HG21 VAL 21 3HG2 VAL 21 -1.929 18.129 2.898 82 HG22 VAL 21 1HG2 VAL 21 -2.766 17.052 4.016 83 HG23 VAL 21 2HG2 VAL 21 -3.690 18.141 2.982 84 H THR 22 H THR 22 -4.794 20.902 5.663 85 HA THR 22 HA THR 22 -3.411 22.413 7.592 86 HB THR 22 HB THR 22 -6.257 23.026 6.872 87 HG1 THR 22 HG1 THR 22 -5.429 23.939 4.908 88 HG21 THR 22 3HG2 THR 22 -5.408 24.685 8.251 89 HG22 THR 22 1HG2 THR 22 -5.075 25.337 6.647 90 HG23 THR 22 2HG2 THR 22 -3.786 24.565 7.570 91 H ALA 23 H ALA 23 -6.420 20.562 7.760 92 HA ALA 23 HA ALA 23 -7.268 21.347 10.299 93 HB1 ALA 23 1HB ALA 23 -8.942 19.983 9.797 94 HB2 ALA 23 2HB ALA 23 -8.051 19.451 8.370 95 HB3 ALA 23 3HB ALA 23 -7.873 18.583 9.895 96 H LEU 24 H LEU 24 -5.166 18.642 9.348 97 HA LEU 24 HA LEU 24 -4.756 17.678 11.978 98 HB2 LEU 24 2HB LEU 24 -3.041 17.362 9.519 99 HB3 LEU 24 3HB LEU 24 -2.881 16.425 11.003 100 HG LEU 24 HG LEU 24 -5.414 16.404 9.386 101 HD11 LEU 24 1HD1 LEU 24 -2.909 15.474 8.499 102 HD12 LEU 24 2HD1 LEU 24 -4.494 15.179 7.786 103 HD13 LEU 24 3HD1 LEU 24 -3.841 14.055 8.977 104 HD21 LEU 24 3HD2 LEU 24 -4.198 14.673 11.519 105 HD22 LEU 24 1HD2 LEU 24 -5.501 14.102 10.476 106 HD23 LEU 24 2HD2 LEU 24 -5.757 15.498 11.523 107 H ASN 25 H ASN 25 -2.992 19.953 9.935 108 HA ASN 25 HA ASN 25 -0.707 20.266 11.505 109 HB2 ASN 25 2HB ASN 25 -1.912 21.584 9.255 110 HB3 ASN 25 3HB ASN 25 -1.325 22.794 10.392 111 HD21 ASN 25 1HD2 ASN 25 -0.261 19.690 9.036 112 HD22 ASN 25 2HD2 ASN 25 1.364 20.191 8.727 113 H ASP 26 H ASP 26 -3.796 22.010 11.609 114 HA ASP 26 HA ASP 26 -3.025 23.716 13.758 115 HB2 ASP 26 2HB ASP 26 -5.343 23.335 12.072 116 HB3 ASP 26 3HB ASP 26 -5.825 23.540 13.753 117 H LEU 27 H LEU 27 -4.696 20.628 13.527 118 HA LEU 27 HA LEU 27 -5.657 20.444 16.143 119 HB2 LEU 27 2HB LEU 27 -5.914 18.902 14.012 120 HB3 LEU 27 3HB LEU 27 -4.605 18.013 14.788 121 HG LEU 27 HG LEU 27 -6.316 18.214 16.857 122 HD11 LEU 27 1HD1 LEU 27 -8.444 18.570 16.313 123 HD12 LEU 27 2HD1 LEU 27 -8.350 17.491 14.922 124 HD13 LEU 27 3HD1 LEU 27 -7.848 19.174 14.767 125 HD21 LEU 27 3HD2 LEU 27 -6.657 15.948 16.591 126 HD22 LEU 27 1HD2 LEU 27 -5.212 16.211 15.615 127 HD23 LEU 27 2HD2 LEU 27 -6.787 16.064 14.836 128 H ARG 28 H ARG 28 -2.521 19.519 14.780 129 HA ARG 28 HA ARG 28 -1.466 18.346 17.110 130 HB2 ARG 28 2HB ARG 28 0.517 18.187 15.959 131 HB3 ARG 28 3HB ARG 28 -0.604 18.393 14.620 132 HG2 ARG 28 2HG ARG 28 0.920 19.935 13.999 133 HG3 ARG 28 3HG ARG 28 -0.031 20.957 15.077 134 HD2 ARG 28 2HD ARG 28 1.848 21.354 16.201 135 HD3 ARG 28 3HD ARG 28 1.785 19.679 16.746 136 HE ARG 28 HE ARG 28 3.550 19.213 15.373 137 HH11 ARG 28 1HH1 ARG 28 2.110 22.222 14.376 138 HH12 ARG 28 2HH1 ARG 28 3.345 22.578 13.214 139 HH21 ARG 28 1HH2 ARG 28 5.182 19.670 13.846 140 HH22 ARG 28 2HH2 ARG 28 5.091 21.125 12.913 141 H HIS 29 H HIS 29 -1.928 21.637 16.184 142 HA HIS 29 HA HIS 29 -0.103 22.626 18.236 143 HB2 HIS 29 2HB HIS 29 -1.090 23.645 15.762 144 HB3 HIS 29 3HB HIS 29 -1.595 24.741 17.044 145 HD1 HIS 29 HD1 HIS 29 0.822 24.743 18.859 146 HD2 HIS 29 HD2 HIS 29 1.098 24.845 14.715 147 HE1 HIS 29 HE1 HIS 29 3.076 25.742 18.360 148 H LYS 30 H LYS 30 -2.743 21.187 18.698 149 HA LYS 30 HA LYS 30 -4.454 21.260 20.195 150 HB2 LYS 30 2HB LYS 30 -3.035 23.658 21.362 151 HB3 LYS 30 3HB LYS 30 -4.178 22.600 22.179 152 HG2 LYS 30 2HG LYS 30 -2.456 21.423 22.915 153 HG3 LYS 30 3HG LYS 30 -2.152 20.919 21.251 154 HD2 LYS 30 2HD LYS 30 -0.116 21.827 22.028 155 HD3 LYS 30 3HD LYS 30 -0.828 23.067 20.993 156 HE2 LYS 30 2HE LYS 30 -0.973 24.520 22.681 157 HE3 LYS 30 3HE LYS 30 -1.687 23.316 23.753 158 HZ1 LYS 30 3HZ LYS 30 1.216 23.445 23.163 159 HZ2 LYS 30 1HZ LYS 30 0.447 22.539 24.367 160 HZ3 LYS 30 2HZ LYS 30 0.503 24.225 24.484 161 H LYS 31 H LYS 31 -5.038 22.404 17.798 162 HA LYS 31 HA LYS 31 -6.092 25.044 18.041 163 HB2 LYS 31 2HB LYS 31 -5.455 24.226 15.865 164 HB3 LYS 31 3HB LYS 31 -6.559 22.863 16.003 165 HG2 LYS 31 2HG LYS 31 -8.065 25.240 16.352 166 HG3 LYS 31 3HG LYS 31 -7.045 25.438 14.925 167 HD2 LYS 31 2HD LYS 31 -7.901 22.992 14.409 168 HD3 LYS 31 3HD LYS 31 -9.239 23.494 15.445 169 HE2 LYS 31 2HE LYS 31 -8.271 25.028 13.036 170 HE3 LYS 31 3HE LYS 31 -9.626 23.902 13.020 171 HZ1 LYS 31 3HZ LYS 31 -9.592 26.610 13.807 172 HZ2 LYS 31 1HZ LYS 31 -10.063 25.657 15.123 173 HZ3 LYS 31 2HZ LYS 31 -10.915 25.564 13.665 174 H SER 32 H SER 32 -7.825 21.979 17.456 175 HA SER 32 HA SER 32 -10.083 23.081 18.994 176 HB2 SER 32 2HB SER 32 -9.936 21.722 16.438 177 HB3 SER 32 3HB SER 32 -11.014 20.873 17.545 178 HG SER 32 HG SER 32 -11.410 23.189 16.229 179 H ARG 33 H ARG 33 -9.233 19.771 18.026 180 HA ARG 33 HA ARG 33 -8.400 18.841 20.523 181 HB2 ARG 33 2HB ARG 33 -11.088 19.414 20.610 182 HB3 ARG 33 3HB ARG 33 -11.083 17.699 20.223 183 HG2 ARG 33 2HG ARG 33 -9.455 17.458 22.188 184 HG3 ARG 33 3HG ARG 33 -9.985 19.079 22.642 185 HD2 ARG 33 2HD ARG 33 -12.355 17.794 22.155 186 HD3 ARG 33 3HD ARG 33 -11.369 16.514 22.861 187 HE ARG 33 HE ARG 33 -11.146 18.867 24.404 188 HH11 ARG 33 1HH1 ARG 33 -13.382 16.306 23.653 189 HH12 ARG 33 2HH1 ARG 33 -14.210 16.407 25.171 190 HH21 ARG 33 1HH2 ARG 33 -12.229 19.009 26.407 191 HH22 ARG 33 2HH2 ARG 33 -13.554 17.945 26.737 192 H TYR 34 H TYR 34 -10.759 17.582 18.159 193 HA TYR 34 HA TYR 34 -8.746 15.720 17.162 194 HB2 TYR 34 2HB TYR 34 -10.546 13.877 17.315 195 HB3 TYR 34 3HB TYR 34 -9.670 14.302 18.781 196 HD1 TYR 34 HD1 TYR 34 -12.879 14.702 16.990 197 HD2 TYR 34 HD2 TYR 34 -10.800 15.201 20.669 198 HE1 TYR 34 HE1 TYR 34 -15.014 15.136 18.131 199 HE2 TYR 34 HE2 TYR 34 -12.930 15.635 21.820 200 HH TYR 34 HH TYR 34 -15.697 14.821 20.939 201 H VAL 35 H VAL 35 -9.047 15.104 15.053 202 HA VAL 35 HA VAL 35 -11.460 16.112 13.698 203 HB VAL 35 HB VAL 35 -9.655 17.657 13.202 204 HG11 VAL 35 1HG1 VAL 35 -7.966 15.919 11.638 205 HG12 VAL 35 2HG1 VAL 35 -7.535 17.039 12.932 206 HG13 VAL 35 3HG1 VAL 35 -8.035 15.392 13.319 207 HG21 VAL 35 3HG2 VAL 35 -10.195 17.838 11.022 208 HG22 VAL 35 1HG2 VAL 35 -9.698 16.185 10.656 209 HG23 VAL 35 2HG2 VAL 35 -11.278 16.492 11.377 210 H ILE 36 H ILE 36 -12.492 14.599 12.580 211 HA ILE 36 HA ILE 36 -11.032 12.144 11.868 212 HB ILE 36 HB ILE 36 -14.023 12.445 12.114 213 HG12 ILE 36 2HG1 ILE 36 -12.057 11.373 14.149 214 HG13 ILE 36 3HG1 ILE 36 -12.937 12.892 14.281 215 HG21 ILE 36 1HG2 ILE 36 -14.042 10.030 12.144 216 HG22 ILE 36 2HG2 ILE 36 -13.191 10.596 10.708 217 HG23 ILE 36 3HG2 ILE 36 -12.280 9.986 12.089 218 HD11 ILE 36 3HD1 ILE 36 -15.026 11.724 14.438 219 HD12 ILE 36 1HD1 ILE 36 -14.229 10.180 14.137 220 HD13 ILE 36 2HD1 ILE 36 -13.902 11.066 15.627 221 H MET 37 H MET 37 -10.954 11.460 9.798 222 HA MET 37 HA MET 37 -12.607 12.846 7.805 223 HB2 MET 37 2HB MET 37 -9.689 12.235 7.356 224 HB3 MET 37 3HB MET 37 -10.757 13.196 6.342 225 HG2 MET 37 2HG MET 37 -9.827 14.943 7.362 226 HG3 MET 37 3HG MET 37 -10.899 14.537 8.699 227 HE1 MET 37 3HE MET 37 -7.801 13.642 6.945 228 HE2 MET 37 1HE MET 37 -6.537 14.130 8.074 229 HE3 MET 37 2HE MET 37 -7.109 12.462 8.060 230 H HIS 38 H HIS 38 -12.921 11.676 5.830 231 HA HIS 38 HA HIS 38 -12.291 8.806 6.009 232 HB2 HIS 38 2HB HIS 38 -14.483 8.201 5.303 233 HB3 HIS 38 3HB HIS 38 -14.688 9.358 6.616 234 HD1 HIS 38 HD1 HIS 38 -16.130 8.606 3.523 235 HD2 HIS 38 HD2 HIS 38 -14.888 12.153 5.294 236 HE1 HIS 38 HE1 HIS 38 -17.371 10.431 2.317 237 H ILE 39 H ILE 39 -12.645 7.696 3.844 238 HA ILE 39 HA ILE 39 -11.382 9.345 1.784 239 HB ILE 39 HB ILE 39 -11.759 6.350 1.897 240 HG12 ILE 39 2HG1 ILE 39 -9.286 8.035 2.348 241 HG13 ILE 39 3HG1 ILE 39 -10.212 7.233 3.612 242 HG21 ILE 39 1HG2 ILE 39 -10.147 6.312 0.031 243 HG22 ILE 39 2HG2 ILE 39 -11.653 7.126 -0.389 244 HG23 ILE 39 3HG2 ILE 39 -10.209 8.073 -0.031 245 HD11 ILE 39 3HD1 ILE 39 -8.735 5.585 3.362 246 HD12 ILE 39 1HD1 ILE 39 -9.663 5.170 1.921 247 HD13 ILE 39 2HD1 ILE 39 -8.213 6.164 1.780 248 H VAL 40 H VAL 40 -12.686 10.296 0.372 249 HA VAL 40 HA VAL 40 -15.255 9.056 -0.293 250 HB VAL 40 HB VAL 40 -15.167 11.465 0.404 251 HG11 VAL 40 1HG1 VAL 40 -14.379 12.428 -2.220 252 HG12 VAL 40 2HG1 VAL 40 -13.876 12.970 -0.618 253 HG13 VAL 40 3HG1 VAL 40 -13.065 11.603 -1.383 254 HG21 VAL 40 3HG2 VAL 40 -16.998 10.440 -0.967 255 HG22 VAL 40 1HG2 VAL 40 -16.807 12.181 -1.175 256 HG23 VAL 40 2HG2 VAL 40 -16.194 11.074 -2.403 257 H ASP 41 H ASP 41 -15.867 8.570 -2.386 258 HA ASP 41 HA ASP 41 -15.600 7.829 -4.520 259 HB2 ASP 41 2HB ASP 41 -14.788 10.436 -4.519 260 HB3 ASP 41 3HB ASP 41 -13.366 9.631 -5.178 261 H GLN 42 H GLN 42 -13.779 6.904 -2.275 262 HA GLN 42 HA GLN 42 -11.847 5.692 -1.966 263 HB2 GLN 42 2HB GLN 42 -11.785 3.697 -3.364 264 HB3 GLN 42 3HB GLN 42 -13.442 4.076 -2.910 265 HG2 GLN 42 2HG GLN 42 -13.992 4.804 -5.053 266 HG3 GLN 42 3HG GLN 42 -12.303 4.991 -5.522 267 HE21 GLN 42 1HE2 GLN 42 -14.650 2.538 -4.522 268 HE22 GLN 42 2HE2 GLN 42 -14.025 1.279 -5.526 269 H LYS 43 H LYS 43 -11.209 8.121 -3.147 270 HA LYS 43 HA LYS 43 -8.730 7.426 -4.445 271 HB2 LYS 43 2HB LYS 43 -10.769 7.777 -6.165 272 HB3 LYS 43 3HB LYS 43 -10.264 9.452 -5.976 273 HG2 LYS 43 2HG LYS 43 -7.978 8.812 -6.623 274 HG3 LYS 43 3HG LYS 43 -8.534 7.156 -6.874 275 HD2 LYS 43 2HD LYS 43 -9.625 7.669 -8.801 276 HD3 LYS 43 3HD LYS 43 -10.036 9.299 -8.261 277 HE2 LYS 43 2HE LYS 43 -7.456 9.689 -8.467 278 HE3 LYS 43 3HE LYS 43 -7.532 8.290 -9.537 279 HZ1 LYS 43 3HZ LYS 43 -9.254 10.678 -9.875 280 HZ2 LYS 43 1HZ LYS 43 -9.011 9.414 -10.974 281 HZ3 LYS 43 2HZ LYS 43 -7.759 10.503 -10.646 282 H SER 44 H SER 44 -10.960 9.932 -3.364 283 HA SER 44 HA SER 44 -8.639 11.614 -2.679 284 HB2 SER 44 2HB SER 44 -11.447 12.656 -3.012 285 HB3 SER 44 3HB SER 44 -9.931 13.556 -3.044 286 HG SER 44 HG SER 44 -9.449 12.586 -5.024 287 H ILE 45 H ILE 45 -8.657 12.709 -0.677 288 HA ILE 45 HA ILE 45 -10.312 11.379 1.352 289 HB ILE 45 HB ILE 45 -7.800 13.003 1.764 290 HG12 ILE 45 2HG1 ILE 45 -8.127 9.997 1.821 291 HG13 ILE 45 3HG1 ILE 45 -7.462 10.890 0.458 292 HG21 ILE 45 1HG2 ILE 45 -9.352 11.210 3.627 293 HG22 ILE 45 2HG2 ILE 45 -7.812 11.983 4.000 294 HG23 ILE 45 3HG2 ILE 45 -9.246 12.968 3.713 295 HD11 ILE 45 3HD1 ILE 45 -6.059 11.693 2.778 296 HD12 ILE 45 1HD1 ILE 45 -6.137 9.931 2.770 297 HD13 ILE 45 2HD1 ILE 45 -5.463 10.791 1.385 298 H ALA 46 H ALA 46 -11.786 12.469 2.495 299 HA ALA 46 HA ALA 46 -11.660 15.393 2.595 300 HB1 ALA 46 1HB ALA 46 -13.112 14.845 0.704 301 HB2 ALA 46 2HB ALA 46 -14.126 13.867 1.766 302 HB3 ALA 46 3HB ALA 46 -14.015 15.610 2.011 303 H VAL 47 H VAL 47 -12.748 16.331 4.361 304 HA VAL 47 HA VAL 47 -12.786 14.739 6.713 305 HB VAL 47 HB VAL 47 -13.634 16.764 7.841 306 HG11 VAL 47 1HG1 VAL 47 -11.411 17.440 5.923 307 HG12 VAL 47 2HG1 VAL 47 -11.677 18.099 7.539 308 HG13 VAL 47 3HG1 VAL 47 -11.210 16.409 7.340 309 HG21 VAL 47 3HG2 VAL 47 -14.950 18.103 6.626 310 HG22 VAL 47 1HG2 VAL 47 -13.456 18.769 5.965 311 HG23 VAL 47 2HG2 VAL 47 -14.310 17.490 5.101 312 H LYS 48 H LYS 48 -14.447 13.874 7.854 313 HA LYS 48 HA LYS 48 -17.087 13.918 6.558 314 HB2 LYS 48 2HB LYS 48 -15.577 11.763 7.234 315 HB3 LYS 48 3HB LYS 48 -16.562 11.933 8.682 316 HG2 LYS 48 2HG LYS 48 -18.583 11.755 7.385 317 HG3 LYS 48 3HG LYS 48 -17.656 11.732 5.883 318 HD2 LYS 48 2HD LYS 48 -17.611 9.512 6.043 319 HD3 LYS 48 3HD LYS 48 -16.561 9.696 7.449 320 HE2 LYS 48 2HE LYS 48 -18.234 8.448 8.375 321 HE3 LYS 48 3HE LYS 48 -18.863 10.066 8.684 322 HZ1 LYS 48 3HZ LYS 48 -19.639 8.267 6.453 323 HZ2 LYS 48 1HZ LYS 48 -20.179 9.860 6.632 324 HZ3 LYS 48 2HZ LYS 48 -20.592 8.693 7.785 325 H THR 49 H THR 49 -15.474 14.157 9.699 326 HA THR 49 HA THR 49 -17.490 15.962 10.664 327 HB THR 49 HB THR 49 -17.242 13.238 11.954 328 HG1 THR 49 HG1 THR 49 -19.655 13.484 11.536 329 HG21 THR 49 3HG2 THR 49 -18.581 15.773 12.872 330 HG22 THR 49 1HG2 THR 49 -17.417 14.774 13.741 331 HG23 THR 49 2HG2 THR 49 -19.057 14.183 13.470 332 H ILE 50 H ILE 50 -16.175 17.473 11.456 333 HA ILE 50 HA ILE 50 -13.757 16.679 12.899 334 HB ILE 50 HB ILE 50 -13.609 18.399 11.096 335 HG12 ILE 50 2HG1 ILE 50 -12.905 19.508 13.817 336 HG13 ILE 50 3HG1 ILE 50 -12.002 18.216 13.034 337 HG21 ILE 50 1HG2 ILE 50 -14.553 20.529 11.303 338 HG22 ILE 50 2HG2 ILE 50 -15.848 19.430 11.773 339 HG23 ILE 50 3HG2 ILE 50 -14.933 20.293 13.009 340 HD11 ILE 50 3HD1 ILE 50 -11.783 19.886 11.076 341 HD12 ILE 50 1HD1 ILE 50 -12.210 21.096 12.285 342 HD13 ILE 50 2HD1 ILE 50 -10.776 20.094 12.509 343 H GLY 51 H GLY 51 -13.305 17.341 14.998 344 HA2 GLY 51 2HA GLY 51 -15.682 18.123 16.550 345 HA3 GLY 51 3HA GLY 51 -14.294 17.253 17.187 346 H GLU 52 H GLU 52 -14.745 19.088 18.816 347 HA GLU 52 HA GLU 52 -12.609 20.888 18.728 348 HB2 GLU 52 2HB GLU 52 -13.926 23.030 18.555 349 HB3 GLU 52 3HB GLU 52 -13.747 22.135 17.052 350 HG2 GLU 52 2HG GLU 52 -15.944 21.778 16.852 351 HG3 GLU 52 3HG GLU 52 -16.153 21.462 18.574 352 H ARG 53 H ARG 53 -13.266 19.260 20.676 353 HA ARG 53 HA ARG 53 -13.651 19.113 22.913 354 HB2 ARG 53 2HB ARG 53 -13.889 22.117 22.942 355 HB3 ARG 53 3HB ARG 53 -13.377 21.059 24.249 356 HG2 ARG 53 2HG ARG 53 -11.346 20.504 22.994 357 HG3 ARG 53 3HG ARG 53 -11.859 21.595 21.705 358 HD2 ARG 53 2HD ARG 53 -11.527 23.488 23.001 359 HD3 ARG 53 3HD ARG 53 -11.633 22.591 24.515 360 HE ARG 53 HE ARG 53 -9.288 23.038 22.936 361 HH11 ARG 53 1HH1 ARG 53 -10.813 20.867 25.189 362 HH12 ARG 53 2HH1 ARG 53 -9.318 20.212 25.771 363 HH21 ARG 53 1HH2 ARG 53 -7.313 22.184 23.693 364 HH22 ARG 53 2HH2 ARG 53 -7.328 20.962 24.920 365 H GLY 54 H GLY 54 -15.889 19.499 20.848 366 HA2 GLY 54 2HA GLY 54 -18.019 19.951 22.842 367 HA3 GLY 54 3HA GLY 54 -18.135 20.608 21.216 368 H ALA 55 H ALA 55 -16.994 18.280 19.924 369 HA ALA 55 HA ALA 55 -19.266 16.856 19.285 370 HB1 ALA 55 1HB ALA 55 -16.590 16.812 18.521 371 HB2 ALA 55 2HB ALA 55 -16.933 15.170 19.069 372 HB3 ALA 55 3HB ALA 55 -17.917 15.900 17.799 373 H ASN 56 H ASN 56 -20.394 15.242 20.180 374 HA ASN 56 HA ASN 56 -19.535 14.233 22.769 375 HB2 ASN 56 2HB ASN 56 -22.123 14.141 21.236 376 HB3 ASN 56 3HB ASN 56 -21.870 13.123 22.651 377 HD21 ASN 56 1HD2 ASN 56 -23.245 14.050 24.050 378 HD22 ASN 56 2HD2 ASN 56 -23.136 15.686 24.592 379 H PHE 57 H PHE 57 -20.125 11.842 23.188 380 HA PHE 57 HA PHE 57 -18.472 10.256 21.509 381 HB2 PHE 57 2HB PHE 57 -20.405 9.302 23.630 382 HB3 PHE 57 3HB PHE 57 -19.018 8.424 22.994 383 HD1 PHE 57 HD2 PHE 57 -16.754 9.933 23.149 384 HD2 PHE 57 HD1 PHE 57 -20.136 10.172 25.723 385 HE1 PHE 57 HE2 PHE 57 -15.337 10.891 24.917 386 HE2 PHE 57 HE1 PHE 57 -18.724 11.131 27.495 387 HZ PHE 57 HZ PHE 57 -16.321 11.491 27.094 388 H ASP 58 H ASP 58 -21.967 10.523 21.948 389 HA ASP 58 HA ASP 58 -22.769 8.368 20.372 390 HB2 ASP 58 2HB ASP 58 -24.084 11.008 20.992 391 HB3 ASP 58 3HB ASP 58 -24.877 9.777 20.013 392 H GLN 59 H GLN 59 -22.171 11.745 19.451 393 HA GLN 59 HA GLN 59 -22.835 11.438 16.727 394 HB2 GLN 59 2HB GLN 59 -20.972 13.434 18.026 395 HB3 GLN 59 3HB GLN 59 -21.632 13.563 16.401 396 HG2 GLN 59 2HG GLN 59 -23.321 13.459 18.886 397 HG3 GLN 59 3HG GLN 59 -22.777 14.954 18.126 398 HE21 GLN 59 1HE2 GLN 59 -23.928 15.770 16.498 399 HE22 GLN 59 2HE2 GLN 59 -25.259 14.983 15.727 400 H PHE 60 H PHE 60 -19.845 10.993 18.519 401 HA PHE 60 HA PHE 60 -18.093 10.798 16.329 402 HB2 PHE 60 2HB PHE 60 -17.141 11.084 18.491 403 HB3 PHE 60 3HB PHE 60 -17.976 9.668 19.123 404 HD1 PHE 60 HD1 PHE 60 -16.009 10.071 15.994 405 HD2 PHE 60 HD2 PHE 60 -16.305 8.227 19.819 406 HE1 PHE 60 HE1 PHE 60 -14.043 8.685 15.474 407 HE2 PHE 60 HE2 PHE 60 -14.339 6.840 19.306 408 HZ PHE 60 HZ PHE 60 -13.205 7.068 17.132 409 H ILE 61 H ILE 61 -19.763 8.257 18.179 410 HA ILE 61 HA ILE 61 -18.827 6.099 16.629 411 HB ILE 61 HB ILE 61 -21.372 6.283 18.244 412 HG12 ILE 61 2HG1 ILE 61 -18.624 5.259 18.989 413 HG13 ILE 61 3HG1 ILE 61 -19.357 6.750 19.570 414 HG21 ILE 61 1HG2 ILE 61 -20.423 4.257 16.503 415 HG22 ILE 61 2HG2 ILE 61 -20.285 3.662 18.157 416 HG23 ILE 61 3HG2 ILE 61 -21.841 4.230 17.551 417 HD11 ILE 61 3HD1 ILE 61 -19.519 4.176 20.687 418 HD12 ILE 61 1HD1 ILE 61 -20.308 5.655 21.232 419 HD13 ILE 61 2HD1 ILE 61 -21.129 4.585 20.095 420 H GLU 62 H GLU 62 -21.751 8.081 16.409 421 HA GLU 62 HA GLU 62 -23.053 6.631 14.397 422 HB2 GLU 62 2HB GLU 62 -23.167 9.491 15.293 423 HB3 GLU 62 3HB GLU 62 -24.067 8.973 13.875 424 HG2 GLU 62 2HG GLU 62 -24.337 7.543 16.490 425 HG3 GLU 62 3HG GLU 62 -25.261 9.002 16.140 426 H ALA 63 H ALA 63 -20.657 9.219 14.218 427 HA ALA 63 HA ALA 63 -20.756 9.532 11.400 428 HB1 ALA 63 1HB ALA 63 -18.242 10.357 12.100 429 HB2 ALA 63 2HB ALA 63 -19.696 11.356 12.141 430 HB3 ALA 63 3HB ALA 63 -19.139 10.549 13.607 431 H ILE 64 H ILE 64 -18.401 7.878 13.507 432 HA ILE 64 HA ILE 64 -16.974 6.728 11.323 433 HB ILE 64 HB ILE 64 -15.856 5.348 13.052 434 HG12 ILE 64 2HG1 ILE 64 -16.713 6.583 15.423 435 HG13 ILE 64 3HG1 ILE 64 -18.187 6.137 14.571 436 HG21 ILE 64 1HG2 ILE 64 -15.911 8.111 14.155 437 HG22 ILE 64 2HG2 ILE 64 -14.538 7.069 13.788 438 HG23 ILE 64 3HG2 ILE 64 -15.405 7.877 12.482 439 HD11 ILE 64 3HD1 ILE 64 -17.875 4.195 15.654 440 HD12 ILE 64 1HD1 ILE 64 -16.797 3.861 14.300 441 HD13 ILE 64 2HD1 ILE 64 -16.138 4.445 15.829 442 H ASP 65 H ASP 65 -17.458 4.986 10.170 443 HA ASP 65 HA ASP 65 -19.357 3.036 11.302 444 HB2 ASP 65 2HB ASP 65 -19.382 4.476 8.755 445 HB3 ASP 65 3HB ASP 65 -19.557 2.734 8.566 446 H LYS 66 H LYS 66 -18.553 1.070 11.565 447 HA LYS 66 HA LYS 66 -15.939 0.361 10.775 448 HB2 LYS 66 2HB LYS 66 -16.638 -1.953 11.509 449 HB3 LYS 66 3HB LYS 66 -16.836 -0.685 12.712 450 HG2 LYS 66 2HG LYS 66 -19.059 -0.931 12.786 451 HG3 LYS 66 3HG LYS 66 -19.196 -1.145 11.039 452 HD2 LYS 66 2HD LYS 66 -17.861 -3.375 12.356 453 HD3 LYS 66 3HD LYS 66 -19.504 -3.113 12.946 454 HE2 LYS 66 2HE LYS 66 -19.966 -2.891 10.329 455 HE3 LYS 66 3HE LYS 66 -18.548 -3.937 10.262 456 HZ1 LYS 66 3HZ LYS 66 -20.191 -5.483 10.435 457 HZ2 LYS 66 1HZ LYS 66 -21.213 -4.486 11.343 458 HZ3 LYS 66 2HZ LYS 66 -19.890 -5.236 12.082 459 H ASN 67 H ASN 67 -15.716 0.571 8.552 460 HA ASN 67 HA ASN 67 -16.199 -1.694 6.994 461 HB2 ASN 67 2HB ASN 67 -18.400 0.213 7.065 462 HB3 ASN 67 3HB ASN 67 -17.796 -0.041 5.430 463 HD21 ASN 67 1HD2 ASN 67 -17.377 -2.437 4.939 464 HD22 ASN 67 2HD2 ASN 67 -18.638 -3.522 5.406 465 H VAL 68 H VAL 68 -16.575 1.714 6.054 466 HA VAL 68 HA VAL 68 -14.526 1.479 4.062 467 HB VAL 68 HB VAL 68 -14.895 3.940 3.757 468 HG11 VAL 68 1HG1 VAL 68 -17.280 2.100 3.687 469 HG12 VAL 68 2HG1 VAL 68 -17.229 3.683 2.908 470 HG13 VAL 68 3HG1 VAL 68 -16.124 2.408 2.391 471 HG21 VAL 68 3HG2 VAL 68 -16.030 5.176 5.227 472 HG22 VAL 68 1HG2 VAL 68 -17.352 4.010 5.293 473 HG23 VAL 68 2HG2 VAL 68 -15.935 3.796 6.321 474 HA PRO 69 HA PRO 69 -10.981 2.741 6.323 475 HB2 PRO 69 2HB PRO 69 -9.616 4.127 4.428 476 HB3 PRO 69 3HB PRO 69 -9.773 2.366 4.405 477 HG2 PRO 69 2HG PRO 69 -11.315 4.425 2.874 478 HG3 PRO 69 3HG PRO 69 -10.652 2.879 2.314 479 HD2 PRO 69 2HD PRO 69 -13.265 3.199 2.951 480 HD3 PRO 69 3HD PRO 69 -12.403 1.666 3.194 481 H CYS 70 H CYS 70 -10.782 4.270 7.824 482 HA CYS 70 HA CYS 70 -11.072 7.077 7.091 483 HB2 CYS 70 2HB CYS 70 -12.644 5.796 9.336 484 HB3 CYS 70 3HB CYS 70 -12.556 7.524 9.019 485 HG CYS 70 HG CYS 70 -14.103 5.130 7.146 486 H TYR 71 H TYR 71 -10.071 8.528 8.554 487 HA TYR 71 HA TYR 71 -8.349 7.260 10.577 488 HB2 TYR 71 2HB TYR 71 -7.518 9.452 8.664 489 HB3 TYR 71 3HB TYR 71 -6.517 8.756 9.934 490 HD1 TYR 71 HD2 TYR 71 -8.251 7.970 6.750 491 HD2 TYR 71 HD1 TYR 71 -5.268 6.796 9.549 492 HE1 TYR 71 HE2 TYR 71 -7.453 6.259 5.174 493 HE2 TYR 71 HE1 TYR 71 -4.462 5.083 7.980 494 HH TYR 71 HH TYR 71 -6.132 4.448 4.935 495 H ALA 72 H ALA 72 -8.389 8.200 12.518 496 HA ALA 72 HA ALA 72 -9.532 10.910 12.727 497 HB1 ALA 72 1HB ALA 72 -10.547 10.265 14.844 498 HB2 ALA 72 2HB ALA 72 -11.104 9.218 13.538 499 HB3 ALA 72 3HB ALA 72 -9.890 8.636 14.677 500 H ALA 73 H ALA 73 -8.258 12.371 13.653 501 HA ALA 73 HA ALA 73 -5.911 11.427 15.155 502 HB1 ALA 73 1HB ALA 73 -5.693 14.188 14.524 503 HB2 ALA 73 2HB ALA 73 -4.729 12.839 13.921 504 HB3 ALA 73 3HB ALA 73 -6.195 13.325 13.070 505 H PHE 74 H PHE 74 -5.961 11.664 17.283 506 HA PHE 74 HA PHE 74 -7.624 13.814 18.421 507 HB2 PHE 74 2HB PHE 74 -7.157 10.988 19.287 508 HB3 PHE 74 3HB PHE 74 -7.507 12.210 20.506 509 HD1 PHE 74 HD1 PHE 74 -8.814 11.246 17.141 510 HD2 PHE 74 HD2 PHE 74 -9.693 12.332 21.162 511 HE1 PHE 74 HE1 PHE 74 -11.219 11.013 16.675 512 HE2 PHE 74 HE2 PHE 74 -12.098 12.100 20.702 513 HZ PHE 74 HZ PHE 74 -12.864 11.439 18.457 514 H ASP 75 H ASP 75 -6.621 15.314 19.590 515 HA ASP 75 HA ASP 75 -3.795 14.904 20.247 516 HB2 ASP 75 2HB ASP 75 -4.148 16.892 18.978 517 HB3 ASP 75 3HB ASP 75 -5.493 17.387 20.001 518 H PHE 76 H PHE 76 -3.137 14.608 22.272 519 HA PHE 76 HA PHE 76 -4.857 15.496 24.478 520 HB2 PHE 76 2HB PHE 76 -4.927 12.924 23.805 521 HB3 PHE 76 3HB PHE 76 -3.454 12.881 24.767 522 HD1 PHE 76 HD2 PHE 76 -6.748 14.605 25.110 523 HD2 PHE 76 HD1 PHE 76 -3.834 12.044 26.861 524 HE1 PHE 76 HE2 PHE 76 -8.099 14.476 27.163 525 HE2 PHE 76 HE1 PHE 76 -5.181 11.911 28.916 526 HZ PHE 76 HZ PHE 76 -7.316 13.129 29.069 527 H GLU 77 H GLU 77 -3.767 16.641 25.929 528 HA GLU 77 HA GLU 77 -0.850 16.258 26.109 529 HB2 GLU 77 2HB GLU 77 -1.361 18.386 25.039 530 HB3 GLU 77 3HB GLU 77 -2.422 18.826 26.370 531 HG2 GLU 77 2HG GLU 77 0.002 18.246 27.585 532 HG3 GLU 77 3HG GLU 77 0.438 19.113 26.114 533 H TYR 78 H TYR 78 -0.015 15.903 28.078 534 HA TYR 78 HA TYR 78 -1.431 16.695 30.476 535 HB2 TYR 78 2HB TYR 78 -1.308 14.330 31.391 536 HB3 TYR 78 3HB TYR 78 -2.538 14.617 30.166 537 HD1 TYR 78 HD1 TYR 78 1.036 13.528 30.373 538 HD2 TYR 78 HD2 TYR 78 -2.750 13.044 28.494 539 HE1 TYR 78 HE1 TYR 78 1.942 11.671 29.039 540 HE2 TYR 78 HE2 TYR 78 -1.855 11.185 27.156 541 HH TYR 78 HH TYR 78 1.079 9.672 27.842 542 H THR 79 H THR 79 -0.150 15.817 32.461 543 HA THR 79 HA THR 79 2.731 15.832 31.861 544 HB THR 79 HB THR 79 2.174 18.082 32.573 545 HG1 THR 79 HG1 THR 79 3.458 18.040 34.613 546 HG21 THR 79 3HG2 THR 79 0.689 16.638 34.711 547 HG22 THR 79 1HG2 THR 79 0.237 18.078 33.800 548 HG23 THR 79 2HG2 THR 79 1.416 18.195 35.107 549 H THR 80 H THR 80 1.603 13.468 32.240 550 HA THR 80 HA THR 80 1.500 12.703 35.012 551 HB THR 80 HB THR 80 0.121 11.562 33.300 552 HG1 THR 80 HG1 THR 80 0.242 9.772 34.455 553 HG21 THR 80 3HG2 THR 80 2.640 10.192 32.391 554 HG22 THR 80 1HG2 THR 80 1.995 11.610 31.565 555 HG23 THR 80 2HG2 THR 80 1.035 10.133 31.663 556 H ASN 81 H ASN 81 3.880 12.714 32.467 557 HA ASN 81 HA ASN 81 5.702 10.937 33.797 558 HB2 ASN 81 2HB ASN 81 5.818 11.046 31.403 559 HB3 ASN 81 3HB ASN 81 6.019 12.795 31.436 560 HD21 ASN 81 1HD2 ASN 81 7.545 9.720 31.979 561 HD22 ASN 81 2HD2 ASN 81 9.169 10.306 32.017 562 H ASP 82 H ASP 82 5.299 14.423 33.506 563 HA ASP 82 HA ASP 82 6.391 15.100 35.932 564 HB2 ASP 82 2HB ASP 82 8.436 14.349 34.063 565 HB3 ASP 82 3HB ASP 82 8.593 16.063 34.438 566 H GLY 83 H GLY 83 6.650 16.159 32.537 567 HA2 GLY 83 2HA GLY 83 5.585 18.779 33.399 568 HA3 GLY 83 3HA GLY 83 6.744 18.589 32.092 569 HA PRO 84 HA PRO 84 2.215 18.458 30.621 570 HB2 PRO 84 2HB PRO 84 2.065 20.954 29.564 571 HB3 PRO 84 3HB PRO 84 1.617 20.590 31.235 572 HG2 PRO 84 2HG PRO 84 4.161 21.751 30.166 573 HG3 PRO 84 3HG PRO 84 3.225 22.230 31.595 574 HD2 PRO 84 2HD PRO 84 5.452 20.699 31.758 575 HD3 PRO 84 3HD PRO 84 4.094 20.532 32.888 576 H ARG 85 H ARG 85 2.848 17.024 29.026 577 HA ARG 85 HA ARG 85 4.157 18.186 26.657 578 HB2 ARG 85 2HB ARG 85 4.450 15.627 28.046 579 HB3 ARG 85 3HB ARG 85 4.237 15.453 26.309 580 HG2 ARG 85 2HG ARG 85 6.249 17.360 27.442 581 HG3 ARG 85 3HG ARG 85 6.617 15.646 27.234 582 HD2 ARG 85 2HD ARG 85 5.560 16.234 24.814 583 HD3 ARG 85 3HD ARG 85 6.301 17.779 25.229 584 HE ARG 85 HE ARG 85 8.354 16.832 24.901 585 HH11 ARG 85 1HH1 ARG 85 5.993 14.302 25.286 586 HH12 ARG 85 2HH1 ARG 85 7.101 13.029 24.891 587 HH21 ARG 85 1HH2 ARG 85 9.822 15.165 24.379 588 HH22 ARG 85 2HH2 ARG 85 9.278 13.522 24.376 589 H ASP 86 H ASP 86 3.338 17.713 24.594 590 HA ASP 86 HA ASP 86 0.524 16.843 24.595 591 HB2 ASP 86 2HB ASP 86 0.122 18.287 22.745 592 HB3 ASP 86 3HB ASP 86 1.041 19.228 23.917 593 H LYS 87 H LYS 87 -0.099 15.187 23.329 594 HA LYS 87 HA LYS 87 1.729 14.192 21.271 595 HB2 LYS 87 2HB LYS 87 0.835 12.732 23.715 596 HB3 LYS 87 3HB LYS 87 0.991 11.826 22.215 597 HG2 LYS 87 2HG LYS 87 3.257 13.561 23.021 598 HG3 LYS 87 3HG LYS 87 2.989 12.070 23.927 599 HD2 LYS 87 2HD LYS 87 4.317 11.221 22.294 600 HD3 LYS 87 3HD LYS 87 2.773 11.099 21.447 601 HE2 LYS 87 2HE LYS 87 3.215 12.937 20.110 602 HE3 LYS 87 3HE LYS 87 4.398 13.599 21.237 603 HZ1 LYS 87 3HZ LYS 87 5.986 12.005 20.582 604 HZ2 LYS 87 1HZ LYS 87 5.318 12.599 19.145 605 HZ3 LYS 87 2HZ LYS 87 4.847 11.085 19.734 606 H LEU 88 H LEU 88 0.717 13.511 19.473 607 HA LEU 88 HA LEU 88 -2.222 13.392 19.548 608 HB2 LEU 88 2HB LEU 88 -0.271 14.469 17.635 609 HB3 LEU 88 3HB LEU 88 -1.595 13.562 16.907 610 HG LEU 88 HG LEU 88 -3.154 15.087 18.221 611 HD11 LEU 88 1HD1 LEU 88 -2.195 17.288 18.807 612 HD12 LEU 88 2HD1 LEU 88 -0.584 16.632 18.520 613 HD13 LEU 88 3HD1 LEU 88 -1.584 15.976 19.816 614 HD21 LEU 88 3HD2 LEU 88 -3.060 16.813 16.534 615 HD22 LEU 88 1HD2 LEU 88 -2.744 15.245 15.792 616 HD23 LEU 88 2HD2 LEU 88 -1.410 16.354 16.111 617 H ILE 89 H ILE 89 -3.275 11.599 18.904 618 HA ILE 89 HA ILE 89 -1.636 9.358 17.916 619 HB ILE 89 HB ILE 89 -4.222 9.136 19.455 620 HG12 ILE 89 2HG1 ILE 89 -2.389 8.171 21.164 621 HG13 ILE 89 3HG1 ILE 89 -1.397 9.374 20.348 622 HG21 ILE 89 1HG2 ILE 89 -3.820 7.220 18.073 623 HG22 ILE 89 2HG2 ILE 89 -2.149 7.114 18.625 624 HG23 ILE 89 3HG2 ILE 89 -3.471 6.782 19.745 625 HD11 ILE 89 3HD1 ILE 89 -3.027 9.823 22.497 626 HD12 ILE 89 1HD1 ILE 89 -2.390 11.056 21.409 627 HD13 ILE 89 2HD1 ILE 89 -4.002 10.392 21.142 628 H LEU 90 H LEU 90 -2.491 8.007 16.312 629 HA LEU 90 HA LEU 90 -4.818 9.107 14.876 630 HB2 LEU 90 2HB LEU 90 -2.785 9.555 13.647 631 HB3 LEU 90 3HB LEU 90 -2.314 7.860 13.752 632 HG LEU 90 HG LEU 90 -4.463 7.398 12.411 633 HD11 LEU 90 1HD1 LEU 90 -5.688 9.325 12.343 634 HD12 LEU 90 2HD1 LEU 90 -4.782 9.485 10.839 635 HD13 LEU 90 3HD1 LEU 90 -4.264 10.362 12.277 636 HD21 LEU 90 3HD2 LEU 90 -3.020 8.557 10.357 637 HD22 LEU 90 1HD2 LEU 90 -2.803 6.930 11.002 638 HD23 LEU 90 2HD2 LEU 90 -1.811 8.257 11.606 639 H ILE 91 H ILE 91 -6.485 7.767 14.826 640 HA ILE 91 HA ILE 91 -5.967 4.869 14.985 641 HB ILE 91 HB ILE 91 -8.488 6.283 15.853 642 HG12 ILE 91 2HG1 ILE 91 -7.402 5.342 18.149 643 HG13 ILE 91 3HG1 ILE 91 -5.939 5.753 17.261 644 HG21 ILE 91 1HG2 ILE 91 -9.186 4.144 15.517 645 HG22 ILE 91 2HG2 ILE 91 -7.580 3.462 15.767 646 HG23 ILE 91 3HG2 ILE 91 -8.548 3.967 17.152 647 HD11 ILE 91 3HD1 ILE 91 -6.238 7.782 18.132 648 HD12 ILE 91 1HD1 ILE 91 -7.459 7.974 16.875 649 HD13 ILE 91 2HD1 ILE 91 -7.936 7.481 18.500 650 H SER 92 H SER 92 -6.469 3.738 13.237 651 HA SER 92 HA SER 92 -8.428 4.867 11.347 652 HB2 SER 92 2HB SER 92 -6.033 4.651 10.551 653 HB3 SER 92 3HB SER 92 -6.231 2.903 10.672 654 HG SER 92 HG SER 92 -7.746 4.675 9.051 655 H TRP 93 H TRP 93 -10.091 3.622 10.635 656 HA TRP 93 HA TRP 93 -10.558 1.139 12.085 657 HB2 TRP 93 2HB TRP 93 -12.298 2.979 10.465 658 HB3 TRP 93 3HB TRP 93 -12.843 1.356 10.881 659 HD1 TRP 93 HD1 TRP 93 -13.838 1.012 13.250 660 HE1 TRP 93 HE1 TRP 93 -14.177 2.525 15.304 661 HE3 TRP 93 HE3 TRP 93 -11.098 5.056 11.741 662 HZ2 TRP 93 HZ2 TRP 93 -13.389 5.093 16.170 663 HZ3 TRP 93 HZ3 TRP 93 -10.942 7.000 13.240 664 HH2 TRP 93 HH2 TRP 93 -12.065 7.017 15.408 665 H ASN 94 H ASN 94 -9.933 -0.718 11.218 666 HA ASN 94 HA ASN 94 -10.476 -1.250 8.409 667 HB2 ASN 94 2HB ASN 94 -8.218 -0.405 8.287 668 HB3 ASN 94 3HB ASN 94 -7.711 -1.443 9.617 669 HD21 ASN 94 1HD2 ASN 94 -9.709 -2.154 6.788 670 HD22 ASN 94 2HD2 ASN 94 -8.680 -3.389 6.155 671 HA PRO 95 HA PRO 95 -11.438 -4.790 11.221 672 HB2 PRO 95 2HB PRO 95 -13.817 -5.361 10.045 673 HB3 PRO 95 3HB PRO 95 -13.644 -4.156 11.326 674 HG2 PRO 95 2HG PRO 95 -13.807 -3.761 8.363 675 HG3 PRO 95 3HG PRO 95 -14.595 -2.843 9.659 676 HD2 PRO 95 2HD PRO 95 -12.365 -1.965 8.400 677 HD3 PRO 95 3HD PRO 95 -12.701 -1.607 10.105 678 H ASP 96 H ASP 96 -10.734 -6.780 10.769 679 HA ASP 96 HA ASP 96 -9.725 -7.521 8.274 680 HB2 ASP 96 2HB ASP 96 -10.460 -9.126 10.716 681 HB3 ASP 96 3HB ASP 96 -9.776 -9.881 9.280 682 H SER 97 H SER 97 -12.927 -7.668 9.524 683 HA SER 97 HA SER 97 -13.777 -9.450 7.350 684 HB2 SER 97 2HB SER 97 -14.470 -9.446 10.021 685 HB3 SER 97 3HB SER 97 -15.837 -8.630 9.264 686 HG SER 97 HG SER 97 -14.851 -11.231 8.812 687 H GLY 98 H GLY 98 -13.159 -6.393 7.464 688 HA2 GLY 98 2HA GLY 98 -15.601 -5.068 6.885 689 HA3 GLY 98 3HA GLY 98 -13.989 -4.472 6.513 690 H ALA 99 H ALA 99 -13.348 -4.434 4.446 691 HA ALA 99 HA ALA 99 -14.752 -6.106 2.491 692 HB1 ALA 99 1HB ALA 99 -14.516 -3.837 1.052 693 HB2 ALA 99 2HB ALA 99 -15.973 -4.297 1.935 694 HB3 ALA 99 3HB ALA 99 -14.825 -3.168 2.655 695 HA PRO 100 HA PRO 100 -10.819 -6.708 0.640 696 HB2 PRO 100 2HB PRO 100 -11.424 -6.783 -2.005 697 HB3 PRO 100 3HB PRO 100 -11.853 -8.081 -0.885 698 HG2 PRO 100 2HG PRO 100 -13.549 -5.851 -1.939 699 HG3 PRO 100 3HG PRO 100 -13.956 -7.564 -1.732 700 HD2 PRO 100 2HD PRO 100 -14.733 -5.658 0.028 701 HD3 PRO 100 3HD PRO 100 -14.366 -7.323 0.524 702 H ARG 101 H ARG 101 -12.716 -4.233 -1.089 703 HA ARG 101 HA ARG 101 -10.459 -2.917 -2.189 704 HB2 ARG 101 2HB ARG 101 -13.277 -1.927 -1.722 705 HB3 ARG 101 3HB ARG 101 -12.063 -1.076 -2.667 706 HG2 ARG 101 2HG ARG 101 -12.672 -3.885 -3.403 707 HG3 ARG 101 3HG ARG 101 -13.868 -2.644 -3.786 708 HD2 ARG 101 2HD ARG 101 -12.646 -2.451 -5.675 709 HD3 ARG 101 3HD ARG 101 -11.643 -1.418 -4.657 710 HE ARG 101 HE ARG 101 -10.729 -4.038 -4.379 711 HH11 ARG 101 1HH1 ARG 101 -10.952 -1.578 -6.833 712 HH12 ARG 101 2HH1 ARG 101 -9.554 -2.128 -7.696 713 HH21 ARG 101 1HH2 ARG 101 -8.887 -4.772 -5.506 714 HH22 ARG 101 2HH2 ARG 101 -8.381 -3.945 -6.941 715 H THR 102 H THR 102 -12.467 -2.290 0.664 716 HA THR 102 HA THR 102 -11.211 0.102 1.450 717 HB THR 102 HB THR 102 -12.176 -0.327 3.687 718 HG1 THR 102 HG1 THR 102 -12.798 -2.282 4.238 719 HG21 THR 102 3HG2 THR 102 -14.519 -0.335 3.008 720 HG22 THR 102 1HG2 THR 102 -14.072 -0.958 1.421 721 HG23 THR 102 2HG2 THR 102 -13.561 0.658 1.910 722 H LYS 103 H LYS 103 -10.602 -3.276 2.340 723 HA LYS 103 HA LYS 103 -8.645 -2.845 4.280 724 HB2 LYS 103 2HB LYS 103 -9.550 -5.031 4.059 725 HB3 LYS 103 3HB LYS 103 -9.104 -5.123 2.360 726 HG2 LYS 103 2HG LYS 103 -7.645 -6.507 3.710 727 HG3 LYS 103 3HG LYS 103 -6.741 -5.176 2.983 728 HD2 LYS 103 2HD LYS 103 -6.840 -3.943 5.082 729 HD3 LYS 103 3HD LYS 103 -7.794 -5.237 5.812 730 HE2 LYS 103 2HE LYS 103 -5.991 -6.719 5.821 731 HE3 LYS 103 3HE LYS 103 -5.097 -5.785 4.624 732 HZ1 LYS 103 3HZ LYS 103 -5.588 -5.035 7.453 733 HZ2 LYS 103 1HZ LYS 103 -4.863 -4.018 6.312 734 HZ3 LYS 103 2HZ LYS 103 -4.106 -5.463 6.759 735 H MET 104 H MET 104 -8.304 -3.282 0.771 736 HA MET 104 HA MET 104 -5.466 -3.026 0.786 737 HB2 MET 104 2HB MET 104 -7.482 -3.653 -1.108 738 HB3 MET 104 3HB MET 104 -6.568 -2.295 -1.753 739 HG2 MET 104 2HG MET 104 -5.559 -4.282 -2.554 740 HG3 MET 104 3HG MET 104 -4.485 -3.596 -1.338 741 HE1 MET 104 3HE MET 104 -4.273 -4.627 1.195 742 HE2 MET 104 1HE MET 104 -3.881 -6.339 1.030 743 HE3 MET 104 2HE MET 104 -3.190 -5.165 -0.090 744 H LEU 105 H LEU 105 -8.141 -0.800 0.150 745 HA LEU 105 HA LEU 105 -6.704 1.398 -0.750 746 HB2 LEU 105 2HB LEU 105 -9.336 0.903 0.400 747 HB3 LEU 105 3HB LEU 105 -8.713 2.509 0.771 748 HG LEU 105 HG LEU 105 -8.420 2.910 -1.655 749 HD11 LEU 105 1HD1 LEU 105 -8.863 1.385 -3.260 750 HD12 LEU 105 2HD1 LEU 105 -10.161 0.627 -2.338 751 HD13 LEU 105 3HD1 LEU 105 -8.479 0.249 -1.967 752 HD21 LEU 105 3HD2 LEU 105 -10.385 3.899 -1.330 753 HD22 LEU 105 1HD2 LEU 105 -10.903 2.645 -0.203 754 HD23 LEU 105 2HD2 LEU 105 -11.145 2.426 -1.937 755 H TYR 106 H TYR 106 -7.083 0.131 2.475 756 HA TYR 106 HA TYR 106 -6.329 2.366 3.974 757 HB2 TYR 106 2HB TYR 106 -7.235 0.469 5.108 758 HB3 TYR 106 3HB TYR 106 -5.975 -0.589 4.483 759 HD1 TYR 106 HD2 TYR 106 -6.511 2.349 6.703 760 HD2 TYR 106 HD1 TYR 106 -4.036 -0.972 5.728 761 HE1 TYR 106 HE2 TYR 106 -5.171 2.763 8.723 762 HE2 TYR 106 HE1 TYR 106 -2.690 -0.568 7.746 763 HH TYR 106 HH TYR 106 -2.557 0.579 9.672 764 H SER 107 H SER 107 -4.339 -0.233 2.593 765 HA SER 107 HA SER 107 -1.872 0.779 3.547 766 HB2 SER 107 2HB SER 107 -2.763 -1.374 1.764 767 HB3 SER 107 3HB SER 107 -1.204 -0.684 1.315 768 HG SER 107 HG SER 107 -0.436 -1.877 2.855 769 H SER 108 H SER 108 -3.700 1.259 0.581 770 HA SER 108 HA SER 108 -1.678 2.634 -0.846 771 HB2 SER 108 2HB SER 108 -3.241 2.878 -2.503 772 HB3 SER 108 3HB SER 108 -4.042 1.610 -1.576 773 HG SER 108 HG SER 108 -4.583 4.380 -1.622 774 H SER 109 H SER 109 -4.152 3.654 1.422 775 HA SER 109 HA SER 109 -3.636 6.466 0.978 776 HB2 SER 109 2HB SER 109 -5.906 5.775 1.529 777 HB3 SER 109 3HB SER 109 -5.346 5.049 3.036 778 HG SER 109 HG SER 109 -6.122 7.055 3.544 779 H ARG 110 H ARG 110 -2.727 3.971 3.252 780 HA ARG 110 HA ARG 110 -1.729 5.579 5.318 781 HB2 ARG 110 2HB ARG 110 -1.638 2.788 4.563 782 HB3 ARG 110 3HB ARG 110 -0.089 3.311 5.212 783 HG2 ARG 110 2HG ARG 110 -1.794 4.390 7.019 784 HG3 ARG 110 3HG ARG 110 -2.669 2.930 6.551 785 HD2 ARG 110 2HD ARG 110 -1.369 1.805 7.962 786 HD3 ARG 110 3HD ARG 110 -0.026 2.112 6.861 787 HE ARG 110 HE ARG 110 -0.185 4.357 8.415 788 HH11 ARG 110 1HH1 ARG 110 0.195 0.949 9.013 789 HH12 ARG 110 2HH1 ARG 110 1.119 1.173 10.462 790 HH21 ARG 110 1HH2 ARG 110 1.029 4.666 10.321 791 HH22 ARG 110 2HH2 ARG 110 1.592 3.288 11.206 792 H ASP 111 H ASP 111 -0.234 4.408 2.345 793 HA ASP 111 HA ASP 111 2.402 5.207 2.892 794 HB2 ASP 111 2HB ASP 111 1.535 3.719 0.988 795 HB3 ASP 111 3HB ASP 111 1.182 5.220 0.137 796 H ALA 112 H ALA 112 -0.300 6.925 1.387 797 HA ALA 112 HA ALA 112 1.259 9.293 0.888 798 HB1 ALA 112 1HB ALA 112 -1.012 10.272 0.332 799 HB2 ALA 112 2HB ALA 112 -0.487 8.901 -0.646 800 HB3 ALA 112 3HB ALA 112 -1.670 8.665 0.640 801 H LEU 113 H LEU 113 -0.629 8.040 3.489 802 HA LEU 113 HA LEU 113 -1.033 10.607 4.758 803 HB2 LEU 113 2HB LEU 113 -1.869 7.832 5.211 804 HB3 LEU 113 3HB LEU 113 -1.570 8.755 6.682 805 HG LEU 113 HG LEU 113 -3.275 10.069 4.663 806 HD11 LEU 113 1HD1 LEU 113 -3.828 7.480 4.903 807 HD12 LEU 113 2HD1 LEU 113 -5.086 8.707 4.766 808 HD13 LEU 113 3HD1 LEU 113 -4.654 8.061 6.349 809 HD21 LEU 113 3HD2 LEU 113 -4.582 10.240 6.982 810 HD22 LEU 113 1HD2 LEU 113 -3.243 11.309 6.562 811 HD23 LEU 113 2HD2 LEU 113 -2.963 9.914 7.604 812 H VAL 114 H VAL 114 1.333 8.105 4.752 813 HA VAL 114 HA VAL 114 2.483 8.339 7.265 814 HB VAL 114 HB VAL 114 3.519 7.557 4.587 815 HG11 VAL 114 1HG1 VAL 114 5.229 8.334 6.923 816 HG12 VAL 114 2HG1 VAL 114 5.759 7.109 5.769 817 HG13 VAL 114 3HG1 VAL 114 5.419 8.751 5.221 818 HG21 VAL 114 3HG2 VAL 114 3.345 5.488 5.419 819 HG22 VAL 114 1HG2 VAL 114 4.146 5.933 6.925 820 HG23 VAL 114 2HG2 VAL 114 2.419 6.227 6.724 821 HA PRO 115 HA PRO 115 5.303 11.865 5.519 822 HB2 PRO 115 2HB PRO 115 4.544 12.995 3.170 823 HB3 PRO 115 3HB PRO 115 5.631 11.604 3.260 824 HG2 PRO 115 2HG PRO 115 2.693 11.679 2.692 825 HG3 PRO 115 3HG PRO 115 3.962 10.727 1.899 826 HD2 PRO 115 2HD PRO 115 2.310 9.679 3.771 827 HD3 PRO 115 3HD PRO 115 3.989 9.138 3.568 828 H LEU 116 H LEU 116 1.852 12.085 4.780 829 HA LEU 116 HA LEU 116 1.593 14.865 5.228 830 HB2 LEU 116 2HB LEU 116 -0.021 12.991 4.203 831 HB3 LEU 116 3HB LEU 116 -0.699 13.090 5.827 832 HG LEU 116 HG LEU 116 -1.920 14.496 4.247 833 HD11 LEU 116 1HD1 LEU 116 -1.051 15.189 6.754 834 HD12 LEU 116 2HD1 LEU 116 -2.306 16.018 5.832 835 HD13 LEU 116 3HD1 LEU 116 -0.646 16.612 5.793 836 HD21 LEU 116 3HD2 LEU 116 0.500 16.247 4.004 837 HD22 LEU 116 1HD2 LEU 116 -0.970 16.237 3.029 838 HD23 LEU 116 2HD2 LEU 116 0.206 14.933 2.864 839 H THR 117 H THR 117 1.104 12.048 7.325 840 HA THR 117 HA THR 117 1.070 13.881 9.635 841 HB THR 117 HB THR 117 -0.209 12.075 10.834 842 HG1 THR 117 HG1 THR 117 -1.292 10.566 9.416 843 HG21 THR 117 3HG2 THR 117 -1.990 12.734 8.603 844 HG22 THR 117 1HG2 THR 117 -1.112 14.117 9.255 845 HG23 THR 117 2HG2 THR 117 -2.124 13.135 10.315 846 H GLN 118 H GLN 118 3.495 13.480 9.196 847 HA GLN 118 HA GLN 118 4.488 10.933 10.152 848 HB2 GLN 118 2HB GLN 118 5.501 13.016 8.536 849 HB3 GLN 118 3HB GLN 118 6.531 12.944 9.959 850 HG2 GLN 118 2HG GLN 118 6.071 10.290 9.073 851 HG3 GLN 118 3HG GLN 118 6.536 11.265 7.680 852 HE21 GLN 118 1HE2 GLN 118 7.590 9.663 10.472 853 HE22 GLN 118 2HE2 GLN 118 9.244 10.159 10.426 854 H GLY 119 H GLY 119 4.849 10.474 12.216 855 HA2 GLY 119 2HA GLY 119 6.155 11.290 14.209 856 HA3 GLY 119 3HA GLY 119 5.150 12.727 14.103 857 H PHE 120 H PHE 120 2.664 11.651 13.645 858 HA PHE 120 HA PHE 120 1.939 10.811 16.267 859 HB2 PHE 120 2HB PHE 120 0.173 10.702 13.823 860 HB3 PHE 120 3HB PHE 120 -0.317 10.888 15.504 861 HD1 PHE 120 HD1 PHE 120 1.485 12.986 16.446 862 HD2 PHE 120 HD2 PHE 120 -0.574 12.602 12.741 863 HE1 PHE 120 HE1 PHE 120 1.510 15.432 16.183 864 HE2 PHE 120 HE2 PHE 120 -0.552 15.047 12.471 865 HZ PHE 120 HZ PHE 120 0.492 16.466 14.192 866 H GLN 121 H GLN 121 1.006 8.847 16.928 867 HA GLN 121 HA GLN 121 2.091 6.535 15.569 868 HB2 GLN 121 2HB GLN 121 0.400 6.601 18.070 869 HB3 GLN 121 3HB GLN 121 1.430 5.287 17.518 870 HG2 GLN 121 2HG GLN 121 3.371 6.895 17.758 871 HG3 GLN 121 3HG GLN 121 2.253 7.956 18.614 872 HE21 GLN 121 1HE2 GLN 121 1.963 7.648 20.717 873 HE22 GLN 121 2HE2 GLN 121 2.520 6.282 21.617 874 H GLY 122 H GLY 122 0.999 5.810 13.852 875 HA2 GLY 122 2HA GLY 122 -1.929 5.902 13.862 876 HA3 GLY 122 3HA GLY 122 -0.908 5.583 12.467 877 H ILE 123 H ILE 123 -3.094 4.202 14.428 878 HA ILE 123 HA ILE 123 -2.000 1.516 13.938 879 HB ILE 123 HB ILE 123 -3.580 2.248 16.401 880 HG12 ILE 123 2HG1 ILE 123 -1.126 1.576 17.335 881 HG13 ILE 123 3HG1 ILE 123 -0.680 2.364 15.826 882 HG21 ILE 123 1HG2 ILE 123 -3.045 0.055 17.178 883 HG22 ILE 123 2HG2 ILE 123 -3.708 -0.098 15.552 884 HG23 ILE 123 3HG2 ILE 123 -1.969 -0.226 15.810 885 HD11 ILE 123 3HD1 ILE 123 -1.631 3.504 18.318 886 HD12 ILE 123 1HD1 ILE 123 -0.760 4.257 16.983 887 HD13 ILE 123 2HD1 ILE 123 -2.515 4.094 16.911 888 H GLN 124 H GLN 124 -3.414 0.026 13.162 889 HA GLN 124 HA GLN 124 -6.096 1.005 12.503 890 HB2 GLN 124 2HB GLN 124 -6.113 -0.954 10.919 891 HB3 GLN 124 3HB GLN 124 -4.906 0.277 10.574 892 HG2 GLN 124 2HG GLN 124 -3.249 -1.179 10.760 893 HG3 GLN 124 3HG GLN 124 -3.842 -1.756 12.317 894 HE21 GLN 124 1HE2 GLN 124 -3.732 -2.295 8.916 895 HE22 GLN 124 2HE2 GLN 124 -4.496 -3.844 8.918 896 H ALA 125 H ALA 125 -7.716 0.393 13.759 897 HA ALA 125 HA ALA 125 -7.876 -2.368 14.672 898 HB1 ALA 125 1HB ALA 125 -7.609 -2.010 16.859 899 HB2 ALA 125 2HB ALA 125 -6.878 -0.474 16.394 900 HB3 ALA 125 3HB ALA 125 -8.586 -0.542 16.827 901 H ASN 126 H ASN 126 -9.904 -3.127 14.579 902 HA ASN 126 HA ASN 126 -12.034 -1.230 13.924 903 HB2 ASN 126 2HB ASN 126 -13.225 -3.077 12.979 904 HB3 ASN 126 3HB ASN 126 -11.556 -3.206 12.431 905 HD21 ASN 126 1HD2 ASN 126 -14.103 -4.691 14.131 906 HD22 ASN 126 2HD2 ASN 126 -13.264 -6.127 14.600 907 H ASP 127 H ASP 127 -14.219 -1.682 14.805 908 HA ASP 127 HA ASP 127 -15.664 -1.898 16.549 909 HB2 ASP 127 2HB ASP 127 -14.427 -4.304 16.408 910 HB3 ASP 127 3HB ASP 127 -13.994 -3.825 18.046 911 H ALA 128 H ALA 128 -15.213 -2.398 19.271 912 HA ALA 128 HA ALA 128 -14.590 0.107 20.255 913 HB1 ALA 128 1HB ALA 128 -15.788 -1.768 21.446 914 HB2 ALA 128 2HB ALA 128 -14.197 -2.429 21.824 915 HB3 ALA 128 3HB ALA 128 -14.654 -0.835 22.424 916 H SER 129 H SER 129 -12.469 -2.494 19.387 917 HA SER 129 HA SER 129 -10.201 -1.828 20.884 918 HB2 SER 129 2HB SER 129 -10.848 -3.669 18.845 919 HB3 SER 129 3HB SER 129 -9.445 -2.769 18.269 920 HG SER 129 HG SER 129 -8.313 -3.397 20.063 921 H GLY 130 H GLY 130 -11.632 -0.302 18.139 922 HA2 GLY 130 2HA GLY 130 -9.225 1.359 17.762 923 HA3 GLY 130 3HA GLY 130 -10.496 1.142 16.568 924 H LEU 131 H LEU 131 -10.926 1.826 20.004 925 HA LEU 131 HA LEU 131 -11.291 4.603 19.783 926 HB2 LEU 131 2HB LEU 131 -13.762 4.676 20.029 927 HB3 LEU 131 3HB LEU 131 -13.206 4.139 18.445 928 HG LEU 131 HG LEU 131 -13.568 1.780 19.845 929 HD11 LEU 131 1HD1 LEU 131 -15.497 3.856 20.757 930 HD12 LEU 131 2HD1 LEU 131 -14.780 2.512 21.644 931 HD13 LEU 131 3HD1 LEU 131 -16.075 2.212 20.486 932 HD21 LEU 131 3HD2 LEU 131 -15.806 1.866 18.443 933 HD22 LEU 131 1HD2 LEU 131 -14.231 1.727 17.661 934 HD23 LEU 131 2HD2 LEU 131 -15.037 3.294 17.749 935 H ASP 132 H ASP 132 -10.143 2.644 21.553 936 HA ASP 132 HA ASP 132 -11.776 2.916 23.974 937 HB2 ASP 132 2HB ASP 132 -10.376 0.760 23.002 938 HB3 ASP 132 3HB ASP 132 -9.261 1.421 24.195 939 H PHE 133 H PHE 133 -11.368 4.571 25.265 940 HA PHE 133 HA PHE 133 -9.321 6.402 24.995 941 HB2 PHE 133 2HB PHE 133 -10.712 5.706 27.589 942 HB3 PHE 133 3HB PHE 133 -9.931 7.232 27.190 943 HD1 PHE 133 HD1 PHE 133 -10.884 7.963 24.623 944 HD2 PHE 133 HD2 PHE 133 -12.978 5.992 27.761 945 HE1 PHE 133 HE1 PHE 133 -13.012 8.822 23.737 946 HE2 PHE 133 HE2 PHE 133 -15.110 6.847 26.880 947 HZ PHE 133 HZ PHE 133 -15.129 8.263 24.865 948 H GLU 134 H GLU 134 -9.459 3.548 27.089 949 HA GLU 134 HA GLU 134 -7.020 3.977 28.422 950 HB2 GLU 134 2HB GLU 134 -9.037 1.983 28.368 951 HB3 GLU 134 3HB GLU 134 -7.499 1.173 28.104 952 HG2 GLU 134 2HG GLU 134 -6.613 2.238 30.135 953 HG3 GLU 134 3HG GLU 134 -8.189 2.978 30.411 954 H GLU 135 H GLU 135 -7.798 2.463 25.353 955 HA GLU 135 HA GLU 135 -5.262 1.274 24.909 956 HB2 GLU 135 2HB GLU 135 -7.353 0.629 23.719 957 HB3 GLU 135 3HB GLU 135 -7.293 2.158 22.853 958 HG2 GLU 135 2HG GLU 135 -6.120 1.111 21.296 959 HG3 GLU 135 3HG GLU 135 -4.786 1.060 22.448 960 H ILE 136 H ILE 136 -6.699 4.348 23.875 961 HA ILE 136 HA ILE 136 -4.522 5.233 22.328 962 HB ILE 136 HB ILE 136 -6.582 6.874 23.807 963 HG12 ILE 136 2HG1 ILE 136 -6.562 6.271 20.863 964 HG13 ILE 136 3HG1 ILE 136 -7.281 5.141 22.004 965 HG21 ILE 136 1HG2 ILE 136 -4.615 7.622 21.653 966 HG22 ILE 136 2HG2 ILE 136 -5.999 8.615 22.107 967 HG23 ILE 136 3HG2 ILE 136 -4.729 8.282 23.284 968 HD11 ILE 136 3HD1 ILE 136 -8.646 7.092 20.793 969 HD12 ILE 136 1HD1 ILE 136 -9.065 6.458 22.384 970 HD13 ILE 136 2HD1 ILE 136 -8.134 7.950 22.245 971 H SER 137 H SER 137 -5.382 5.856 25.719 972 HA SER 137 HA SER 137 -3.218 7.556 26.298 973 HB2 SER 137 2HB SER 137 -4.882 5.775 28.088 974 HB3 SER 137 3HB SER 137 -3.692 6.927 28.694 975 HG SER 137 HG SER 137 -5.424 8.167 28.663 976 H ARG 138 H ARG 138 -3.585 4.050 26.505 977 HA ARG 138 HA ARG 138 -1.121 3.533 27.788 978 HB2 ARG 138 2HB ARG 138 -2.842 1.851 27.790 979 HB3 ARG 138 3HB ARG 138 -2.864 1.802 26.032 980 HG2 ARG 138 2HG ARG 138 -1.715 -0.131 26.898 981 HG3 ARG 138 3HG ARG 138 -0.573 0.911 26.047 982 HD2 ARG 138 2HD ARG 138 0.295 0.009 28.195 983 HD3 ARG 138 3HD ARG 138 0.279 1.771 28.114 984 HE ARG 138 HE ARG 138 -2.085 0.699 29.318 985 HH11 ARG 138 1HH1 ARG 138 1.232 1.582 29.897 986 HH12 ARG 138 2HH1 ARG 138 1.000 1.853 31.593 987 HH21 ARG 138 1HH2 ARG 138 -2.403 1.052 31.549 988 HH22 ARG 138 2HH2 ARG 138 -1.067 1.550 32.531 989 H LYS 139 H LYS 139 -2.049 3.856 24.411 990 HA LYS 139 HA LYS 139 0.392 2.930 23.305 991 HB2 LYS 139 2HB LYS 139 -2.092 4.041 22.346 992 HB3 LYS 139 3HB LYS 139 -0.733 4.783 21.512 993 HG2 LYS 139 2HG LYS 139 -1.284 1.829 21.718 994 HG3 LYS 139 3HG LYS 139 -1.556 2.846 20.301 995 HD2 LYS 139 2HD LYS 139 1.048 3.387 20.828 996 HD3 LYS 139 3HD LYS 139 0.940 1.710 21.371 997 HE2 LYS 139 2HE LYS 139 -0.239 1.296 19.113 998 HE3 LYS 139 3HE LYS 139 0.448 2.849 18.642 999 HZ1 LYS 139 3HZ LYS 139 2.349 1.830 18.216 1000 HZ2 LYS 139 1HZ LYS 139 1.697 0.343 18.692 1001 HZ3 LYS 139 2HZ LYS 139 2.471 1.330 19.827 1002 H VAL 140 H VAL 140 -0.856 6.197 23.953 1003 HA VAL 140 HA VAL 140 1.466 7.550 23.051 1004 HB VAL 140 HB VAL 140 -0.673 8.703 23.214 1005 HG11 VAL 140 1HG1 VAL 140 -0.371 8.484 26.207 1006 HG12 VAL 140 2HG1 VAL 140 -1.684 9.271 25.328 1007 HG13 VAL 140 3HG1 VAL 140 -1.483 7.521 25.234 1008 HG21 VAL 140 3HG2 VAL 140 1.352 10.045 23.314 1009 HG22 VAL 140 1HG2 VAL 140 0.094 10.756 24.327 1010 HG23 VAL 140 2HG2 VAL 140 1.416 9.851 25.066 1011 H LYS 141 H LYS 141 0.427 6.350 26.197 1012 HA LYS 141 HA LYS 141 2.542 7.557 27.674 1013 HB2 LYS 141 2HB LYS 141 0.386 6.806 28.672 1014 HB3 LYS 141 3HB LYS 141 0.878 5.139 28.401 1015 HG2 LYS 141 2HG LYS 141 2.787 5.458 29.892 1016 HG3 LYS 141 3HG LYS 141 2.294 7.131 30.163 1017 HD2 LYS 141 2HD LYS 141 0.071 6.181 30.960 1018 HD3 LYS 141 3HD LYS 141 0.876 4.610 30.986 1019 HE2 LYS 141 2HE LYS 141 2.664 5.811 32.411 1020 HE3 LYS 141 3HE LYS 141 1.426 7.045 32.644 1021 HZ1 LYS 141 3HZ LYS 141 0.791 4.216 33.154 1022 HZ2 LYS 141 1HZ LYS 141 0.086 5.606 33.812 1023 HZ3 LYS 141 2HZ LYS 141 1.622 5.115 34.322 1024 H SER 142 H SER 142 2.111 4.472 26.052 1025 HA SER 142 HA SER 142 4.495 3.295 27.120 1026 HB2 SER 142 2HB SER 142 2.660 2.531 24.847 1027 HB3 SER 142 3HB SER 142 4.095 1.596 25.265 1028 HG SER 142 HG SER 142 1.930 1.045 26.258 1029 H ASN 143 H ASN 143 3.667 5.164 24.283 1030 HA ASN 143 HA ASN 143 4.907 6.035 22.584 1031 HB2 ASN 143 2HB ASN 143 6.992 5.859 24.761 1032 HB3 ASN 143 3HB ASN 143 7.296 6.630 23.207 1033 HD21 ASN 143 1HD2 ASN 143 6.475 7.210 26.303 1034 HD22 ASN 143 2HD2 ASN 143 5.625 8.703 26.116 1035 H ARG 144 H ARG 144 4.695 3.095 22.846 1036 HA ARG 144 HA ARG 144 7.064 2.371 21.251 1037 HB2 ARG 144 2HB ARG 144 5.884 1.077 23.595 1038 HB3 ARG 144 3HB ARG 144 6.119 -0.021 22.241 1039 HG2 ARG 144 2HG ARG 144 8.495 0.788 22.133 1040 HG3 ARG 144 3HG ARG 144 8.196 1.625 23.657 1041 HD2 ARG 144 2HD ARG 144 9.127 -0.395 24.332 1042 HD3 ARG 144 3HD ARG 144 7.394 -0.668 24.509 1043 HE ARG 144 HE ARG 144 7.540 -2.292 22.913 1044 HH11 ARG 144 1HH1 ARG 144 10.333 -0.229 22.665 1045 HH12 ARG 144 2HH1 ARG 144 11.113 -1.209 21.469 1046 HH21 ARG 144 1HH2 ARG 144 8.557 -3.591 21.338 1047 HH22 ARG 144 2HH2 ARG 144 10.101 -3.121 20.714 Start of MODEL 6 1 H MET 9 H MET 9 1.167 -2.434 -5.517 2 HA MET 9 HA MET 9 2.570 -2.682 -3.745 3 HB2 MET 9 2HB MET 9 4.768 -1.423 -3.913 4 HB3 MET 9 3HB MET 9 4.370 -2.472 -5.267 5 HG2 MET 9 2HG MET 9 4.479 -0.785 -6.690 6 HG3 MET 9 3HG MET 9 3.349 0.167 -5.729 7 HE1 MET 9 3HE MET 9 7.267 1.621 -6.662 8 HE2 MET 9 1HE MET 9 6.663 0.076 -7.260 9 HE3 MET 9 2HE MET 9 5.689 1.534 -7.448 10 H ALA 10 H ALA 10 1.003 -1.783 -2.307 11 HA ALA 10 HA ALA 10 0.267 -0.382 -0.669 12 HB1 ALA 10 1HB ALA 10 2.674 1.213 -0.390 13 HB2 ALA 10 2HB ALA 10 1.909 0.110 0.754 14 HB3 ALA 10 3HB ALA 10 3.020 -0.515 -0.465 15 H MET 11 H MET 11 -0.057 0.457 -3.439 16 HA MET 11 HA MET 11 -0.645 3.256 -2.924 17 HB2 MET 11 2HB MET 11 0.380 3.988 -5.059 18 HB3 MET 11 3HB MET 11 1.565 3.418 -3.891 19 HG2 MET 11 2HG MET 11 1.723 1.295 -5.053 20 HG3 MET 11 3HG MET 11 0.486 1.813 -6.196 21 HE1 MET 11 3HE MET 11 1.291 4.681 -7.487 22 HE2 MET 11 1HE MET 11 2.133 3.800 -8.761 23 HE3 MET 11 2HE MET 11 0.680 3.118 -8.031 24 H SER 12 H SER 12 -1.891 4.208 -4.829 25 HA SER 12 HA SER 12 -3.137 2.577 -6.741 26 HB2 SER 12 2HB SER 12 -5.459 2.592 -5.644 27 HB3 SER 12 3HB SER 12 -4.296 1.410 -5.043 28 HG SER 12 HG SER 12 -5.476 3.501 -3.753 29 H GLY 13 H GLY 13 -4.037 5.188 -4.477 30 HA2 GLY 13 2HA GLY 13 -3.857 7.268 -6.327 31 HA3 GLY 13 3HA GLY 13 -5.509 6.670 -6.383 32 H VAL 14 H VAL 14 -5.486 5.950 -3.527 33 HA VAL 14 HA VAL 14 -6.665 8.186 -2.434 34 HB VAL 14 HB VAL 14 -6.939 6.029 -1.395 35 HG11 VAL 14 1HG1 VAL 14 -4.502 5.764 0.069 36 HG12 VAL 14 2HG1 VAL 14 -5.244 4.634 -1.065 37 HG13 VAL 14 3HG1 VAL 14 -4.134 5.874 -1.652 38 HG21 VAL 14 3HG2 VAL 14 -7.240 7.982 0.033 39 HG22 VAL 14 1HG2 VAL 14 -6.598 6.624 0.957 40 HG23 VAL 14 2HG2 VAL 14 -5.531 7.941 0.468 41 H SER 15 H SER 15 -5.921 10.104 -1.839 42 HA SER 15 HA SER 15 -3.251 10.330 -0.676 43 HB2 SER 15 2HB SER 15 -3.008 12.480 -2.147 44 HB3 SER 15 3HB SER 15 -2.623 10.906 -2.844 45 HG SER 15 HG SER 15 -4.117 11.276 -4.256 46 H VAL 16 H VAL 16 -3.002 12.039 0.748 47 HA VAL 16 HA VAL 16 -5.405 13.035 1.928 48 HB VAL 16 HB VAL 16 -3.911 14.250 3.469 49 HG11 VAL 16 1HG1 VAL 16 -4.391 12.094 4.200 50 HG12 VAL 16 2HG1 VAL 16 -3.434 11.343 2.922 51 HG13 VAL 16 3HG1 VAL 16 -2.630 12.161 4.262 52 HG21 VAL 16 3HG2 VAL 16 -1.386 13.374 3.030 53 HG22 VAL 16 1HG2 VAL 16 -1.948 13.611 1.375 54 HG23 VAL 16 2HG2 VAL 16 -1.991 14.951 2.521 55 H ALA 17 H ALA 17 -6.451 14.875 1.540 56 HA ALA 17 HA ALA 17 -5.516 16.656 -0.516 57 HB1 ALA 17 1HB ALA 17 -7.816 16.291 -0.591 58 HB2 ALA 17 2HB ALA 17 -8.004 16.511 1.149 59 HB3 ALA 17 3HB ALA 17 -7.671 17.901 0.116 60 H ASP 18 H ASP 18 -5.341 18.976 -0.255 61 HA ASP 18 HA ASP 18 -3.571 19.766 1.721 62 HB2 ASP 18 2HB ASP 18 -4.793 20.956 -0.509 63 HB3 ASP 18 3HB ASP 18 -5.171 22.010 0.850 64 H GLU 19 H GLU 19 -7.084 19.885 1.692 65 HA GLU 19 HA GLU 19 -7.444 21.515 3.955 66 HB2 GLU 19 2HB GLU 19 -9.709 20.754 3.972 67 HB3 GLU 19 3HB GLU 19 -9.213 20.885 2.290 68 HG2 GLU 19 2HG GLU 19 -8.894 18.493 2.161 69 HG3 GLU 19 3HG GLU 19 -9.285 18.326 3.872 70 H CYS 20 H CYS 20 -6.838 18.082 3.595 71 HA CYS 20 HA CYS 20 -7.435 17.375 6.287 72 HB2 CYS 20 2HB CYS 20 -5.613 15.909 4.372 73 HB3 CYS 20 3HB CYS 20 -6.451 15.239 5.767 74 HG CYS 20 HG CYS 20 -8.716 14.732 4.615 75 H VAL 21 H VAL 21 -4.426 18.100 4.556 76 HA VAL 21 HA VAL 21 -2.666 17.620 6.694 77 HB VAL 21 HB VAL 21 -2.249 19.637 4.487 78 HG11 VAL 21 1HG1 VAL 21 0.084 18.176 5.177 79 HG12 VAL 21 2HG1 VAL 21 -0.233 19.901 5.376 80 HG13 VAL 21 3HG1 VAL 21 -0.647 18.772 6.667 81 HG21 VAL 21 3HG2 VAL 21 -1.142 17.720 3.296 82 HG22 VAL 21 1HG2 VAL 21 -1.885 16.647 4.482 83 HG23 VAL 21 2HG2 VAL 21 -2.898 17.615 3.411 84 H THR 22 H THR 22 -4.250 20.603 5.600 85 HA THR 22 HA THR 22 -3.063 22.300 7.522 86 HB THR 22 HB THR 22 -5.718 22.654 6.116 87 HG1 THR 22 HG1 THR 22 -4.588 23.374 4.443 88 HG21 THR 22 3HG2 THR 22 -4.427 24.195 8.126 89 HG22 THR 22 1HG2 THR 22 -5.906 24.567 7.240 90 HG23 THR 22 2HG2 THR 22 -4.345 25.095 6.612 91 H ALA 23 H ALA 23 -6.193 20.619 7.452 92 HA ALA 23 HA ALA 23 -7.218 21.594 9.857 93 HB1 ALA 23 1HB ALA 23 -7.676 18.885 8.611 94 HB2 ALA 23 2HB ALA 23 -8.691 19.649 9.835 95 HB3 ALA 23 3HB ALA 23 -8.560 20.362 8.228 96 H LEU 24 H LEU 24 -5.113 18.824 9.220 97 HA LEU 24 HA LEU 24 -5.112 17.845 11.885 98 HB2 LEU 24 2HB LEU 24 -3.508 17.368 9.430 99 HB3 LEU 24 3HB LEU 24 -2.834 16.844 10.972 100 HG LEU 24 HG LEU 24 -5.503 15.968 9.869 101 HD11 LEU 24 1HD1 LEU 24 -4.211 13.749 9.709 102 HD12 LEU 24 2HD1 LEU 24 -2.766 14.758 9.740 103 HD13 LEU 24 3HD1 LEU 24 -3.955 14.962 8.455 104 HD21 LEU 24 3HD2 LEU 24 -4.915 14.136 11.688 105 HD22 LEU 24 1HD2 LEU 24 -5.760 15.626 12.107 106 HD23 LEU 24 2HD2 LEU 24 -4.027 15.483 12.401 107 H ASN 25 H ASN 25 -2.943 19.980 10.075 108 HA ASN 25 HA ASN 25 -0.936 20.254 11.993 109 HB2 ASN 25 2HB ASN 25 -1.785 21.671 9.581 110 HB3 ASN 25 3HB ASN 25 -1.046 22.734 10.775 111 HD21 ASN 25 1HD2 ASN 25 -0.259 21.417 8.096 112 HD22 ASN 25 2HD2 ASN 25 1.346 20.854 8.399 113 H ASP 26 H ASP 26 -3.899 22.146 11.513 114 HA ASP 26 HA ASP 26 -3.413 23.939 13.661 115 HB2 ASP 26 2HB ASP 26 -6.055 23.205 12.383 116 HB3 ASP 26 3HB ASP 26 -5.730 24.635 13.359 117 H LEU 27 H LEU 27 -5.280 20.948 13.358 118 HA LEU 27 HA LEU 27 -6.489 20.958 15.873 119 HB2 LEU 27 2HB LEU 27 -7.267 19.394 14.305 120 HB3 LEU 27 3HB LEU 27 -5.650 18.751 14.021 121 HG LEU 27 HG LEU 27 -6.410 18.358 16.769 122 HD11 LEU 27 1HD1 LEU 27 -8.487 17.888 14.756 123 HD12 LEU 27 2HD1 LEU 27 -8.611 18.029 16.509 124 HD13 LEU 27 3HD1 LEU 27 -8.127 16.498 15.780 125 HD21 LEU 27 3HD2 LEU 27 -5.400 16.366 16.437 126 HD22 LEU 27 1HD2 LEU 27 -4.805 17.158 14.977 127 HD23 LEU 27 2HD2 LEU 27 -6.206 16.090 14.892 128 H ARG 28 H ARG 28 -3.269 19.983 14.874 129 HA ARG 28 HA ARG 28 -2.511 18.634 17.224 130 HB2 ARG 28 2HB ARG 28 -0.987 18.216 15.580 131 HB3 ARG 28 3HB ARG 28 -1.113 19.835 14.904 132 HG2 ARG 28 2HG ARG 28 0.356 20.730 16.525 133 HG3 ARG 28 3HG ARG 28 0.281 19.261 17.502 134 HD2 ARG 28 2HD ARG 28 1.561 18.040 15.956 135 HD3 ARG 28 3HD ARG 28 1.323 19.240 14.686 136 HE ARG 28 HE ARG 28 3.096 20.421 15.522 137 HH11 ARG 28 1HH1 ARG 28 2.037 18.118 17.907 138 HH12 ARG 28 2HH1 ARG 28 3.372 18.411 18.972 139 HH21 ARG 28 1HH2 ARG 28 4.857 20.816 16.915 140 HH22 ARG 28 2HH2 ARG 28 4.975 19.947 18.408 141 H HIS 29 H HIS 29 -2.819 21.996 16.472 142 HA HIS 29 HA HIS 29 -1.297 22.805 18.827 143 HB2 HIS 29 2HB HIS 29 -1.611 23.963 16.353 144 HB3 HIS 29 3HB HIS 29 -2.724 24.899 17.348 145 HD1 HIS 29 HD1 HIS 29 0.418 25.356 16.121 146 HD2 HIS 29 HD2 HIS 29 -1.023 25.357 20.017 147 HE1 HIS 29 HE1 HIS 29 2.096 26.668 17.458 148 H LYS 30 H LYS 30 -4.053 21.431 18.713 149 HA LYS 30 HA LYS 30 -5.956 21.436 19.958 150 HB2 LYS 30 2HB LYS 30 -4.709 23.671 21.557 151 HB3 LYS 30 3HB LYS 30 -5.934 22.526 22.087 152 HG2 LYS 30 2HG LYS 30 -4.177 20.722 21.690 153 HG3 LYS 30 3HG LYS 30 -3.015 22.047 21.602 154 HD2 LYS 30 2HD LYS 30 -4.670 22.431 23.892 155 HD3 LYS 30 3HD LYS 30 -4.061 20.774 23.906 156 HE2 LYS 30 2HE LYS 30 -1.783 21.914 23.336 157 HE3 LYS 30 3HE LYS 30 -2.556 23.354 23.996 158 HZ1 LYS 30 3HZ LYS 30 -1.841 20.847 25.357 159 HZ2 LYS 30 1HZ LYS 30 -3.112 21.788 25.957 160 HZ3 LYS 30 2HZ LYS 30 -1.558 22.444 25.838 161 H LYS 31 H LYS 31 -6.136 22.816 17.622 162 HA LYS 31 HA LYS 31 -7.210 25.451 18.034 163 HB2 LYS 31 2HB LYS 31 -7.468 25.560 15.706 164 HB3 LYS 31 3HB LYS 31 -6.035 24.567 15.931 165 HG2 LYS 31 2HG LYS 31 -7.011 23.148 14.521 166 HG3 LYS 31 3HG LYS 31 -8.035 22.700 15.888 167 HD2 LYS 31 2HD LYS 31 -9.808 24.006 15.149 168 HD3 LYS 31 3HD LYS 31 -8.771 25.017 14.140 169 HE2 LYS 31 2HE LYS 31 -8.922 23.622 12.389 170 HE3 LYS 31 3HE LYS 31 -8.760 22.187 13.399 171 HZ1 LYS 31 3HZ LYS 31 -11.037 23.024 12.167 172 HZ2 LYS 31 1HZ LYS 31 -11.267 23.518 13.769 173 HZ3 LYS 31 2HZ LYS 31 -10.951 21.893 13.423 174 H SER 32 H SER 32 -8.431 22.244 18.103 175 HA SER 32 HA SER 32 -11.103 23.265 18.647 176 HB2 SER 32 2HB SER 32 -11.670 21.051 17.074 177 HB3 SER 32 3HB SER 32 -11.861 22.738 16.596 178 HG SER 32 HG SER 32 -9.693 20.997 16.087 179 H ARG 33 H ARG 33 -10.032 19.988 17.843 180 HA ARG 33 HA ARG 33 -9.512 19.044 20.403 181 HB2 ARG 33 2HB ARG 33 -12.327 19.443 19.882 182 HB3 ARG 33 3HB ARG 33 -11.985 17.742 20.168 183 HG2 ARG 33 2HG ARG 33 -10.921 19.830 22.023 184 HG3 ARG 33 3HG ARG 33 -12.588 19.266 22.161 185 HD2 ARG 33 2HD ARG 33 -11.800 16.972 22.411 186 HD3 ARG 33 3HD ARG 33 -10.132 17.516 22.234 187 HE ARG 33 HE ARG 33 -10.167 18.251 24.410 188 HH11 ARG 33 1HH1 ARG 33 -13.407 17.509 23.375 189 HH12 ARG 33 2HH1 ARG 33 -14.086 17.650 24.962 190 HH21 ARG 33 1HH2 ARG 33 -11.049 18.439 26.505 191 HH22 ARG 33 2HH2 ARG 33 -12.744 18.179 26.742 192 H TYR 34 H TYR 34 -11.643 17.832 17.809 193 HA TYR 34 HA TYR 34 -9.581 15.924 17.022 194 HB2 TYR 34 2HB TYR 34 -10.875 13.994 17.336 195 HB3 TYR 34 3HB TYR 34 -11.150 14.922 18.806 196 HD1 TYR 34 HD1 TYR 34 -12.642 13.724 15.680 197 HD2 TYR 34 HD2 TYR 34 -13.312 15.919 19.263 198 HE1 TYR 34 HE1 TYR 34 -15.067 13.616 15.286 199 HE2 TYR 34 HE2 TYR 34 -15.739 15.815 18.879 200 HH TYR 34 HH TYR 34 -17.076 14.298 15.965 201 H VAL 35 H VAL 35 -9.961 14.954 14.949 202 HA VAL 35 HA VAL 35 -12.119 16.110 13.349 203 HB VAL 35 HB VAL 35 -10.297 17.648 12.969 204 HG11 VAL 35 1HG1 VAL 35 -8.419 15.907 11.654 205 HG12 VAL 35 2HG1 VAL 35 -8.156 17.049 12.974 206 HG13 VAL 35 3HG1 VAL 35 -8.675 15.399 13.323 207 HG21 VAL 35 3HG2 VAL 35 -11.728 16.943 11.055 208 HG22 VAL 35 1HG2 VAL 35 -10.128 17.511 10.580 209 HG23 VAL 35 2HG2 VAL 35 -10.479 15.783 10.606 210 H ILE 36 H ILE 36 -13.091 14.528 12.283 211 HA ILE 36 HA ILE 36 -11.605 12.055 11.745 212 HB ILE 36 HB ILE 36 -14.588 12.433 11.546 213 HG12 ILE 36 2HG1 ILE 36 -12.966 11.474 13.915 214 HG13 ILE 36 3HG1 ILE 36 -13.863 12.986 13.824 215 HG21 ILE 36 1HG2 ILE 36 -12.940 10.372 10.730 216 HG22 ILE 36 2HG2 ILE 36 -13.562 9.820 12.285 217 HG23 ILE 36 3HG2 ILE 36 -14.680 10.274 10.999 218 HD11 ILE 36 3HD1 ILE 36 -14.867 10.199 14.109 219 HD12 ILE 36 1HD1 ILE 36 -15.302 11.652 15.008 220 HD13 ILE 36 2HD1 ILE 36 -15.892 11.423 13.361 221 H MET 37 H MET 37 -11.181 11.386 9.728 222 HA MET 37 HA MET 37 -12.532 12.739 7.493 223 HB2 MET 37 2HB MET 37 -9.586 12.068 7.576 224 HB3 MET 37 3HB MET 37 -10.441 12.881 6.272 225 HG2 MET 37 2HG MET 37 -9.799 14.781 7.215 226 HG3 MET 37 3HG MET 37 -11.000 14.449 8.461 227 HE1 MET 37 3HE MET 37 -6.504 14.055 8.566 228 HE2 MET 37 1HE MET 37 -7.578 14.453 7.225 229 HE3 MET 37 2HE MET 37 -7.253 15.650 8.479 230 H HIS 38 H HIS 38 -12.622 11.528 5.523 231 HA HIS 38 HA HIS 38 -12.036 8.662 5.791 232 HB2 HIS 38 2HB HIS 38 -14.189 8.055 4.882 233 HB3 HIS 38 3HB HIS 38 -14.444 9.087 6.286 234 HD1 HIS 38 HD1 HIS 38 -15.932 8.582 3.222 235 HD2 HIS 38 HD2 HIS 38 -14.501 12.006 5.090 236 HE1 HIS 38 HE1 HIS 38 -17.125 10.499 2.116 237 H ILE 39 H ILE 39 -12.066 7.517 3.689 238 HA ILE 39 HA ILE 39 -10.721 9.129 1.691 239 HB ILE 39 HB ILE 39 -11.325 6.180 1.533 240 HG12 ILE 39 2HG1 ILE 39 -8.895 7.533 2.726 241 HG13 ILE 39 3HG1 ILE 39 -10.143 6.691 3.639 242 HG21 ILE 39 1HG2 ILE 39 -9.349 6.156 0.066 243 HG22 ILE 39 2HG2 ILE 39 -10.636 7.187 -0.558 244 HG23 ILE 39 3HG2 ILE 39 -9.230 7.908 0.225 245 HD11 ILE 39 3HD1 ILE 39 -9.389 4.782 1.860 246 HD12 ILE 39 1HD1 ILE 39 -7.871 5.636 2.138 247 HD13 ILE 39 2HD1 ILE 39 -8.759 4.949 3.499 248 H VAL 40 H VAL 40 -11.705 10.017 0.010 249 HA VAL 40 HA VAL 40 -14.364 9.026 -0.759 250 HB VAL 40 HB VAL 40 -13.067 11.695 -1.329 251 HG11 VAL 40 1HG1 VAL 40 -15.728 10.539 -2.113 252 HG12 VAL 40 2HG1 VAL 40 -15.433 12.278 -2.059 253 HG13 VAL 40 3HG1 VAL 40 -14.494 11.257 -3.149 254 HG21 VAL 40 3HG2 VAL 40 -13.660 11.589 0.973 255 HG22 VAL 40 1HG2 VAL 40 -14.911 12.530 0.161 256 HG23 VAL 40 2HG2 VAL 40 -15.218 10.850 0.604 257 H ASP 41 H ASP 41 -14.673 8.091 -2.676 258 HA ASP 41 HA ASP 41 -14.303 7.273 -4.767 259 HB2 ASP 41 2HB ASP 41 -13.800 9.929 -4.978 260 HB3 ASP 41 3HB ASP 41 -12.244 9.272 -5.478 261 H GLN 42 H GLN 42 -12.366 6.856 -2.392 262 HA GLN 42 HA GLN 42 -10.413 5.761 -1.949 263 HB2 GLN 42 2HB GLN 42 -10.901 4.385 -4.587 264 HB3 GLN 42 3HB GLN 42 -10.084 3.739 -3.170 265 HG2 GLN 42 2HG GLN 42 -12.037 2.745 -2.758 266 HG3 GLN 42 3HG GLN 42 -12.527 4.325 -2.148 267 HE21 GLN 42 1HE2 GLN 42 -12.634 2.161 -4.897 268 HE22 GLN 42 2HE2 GLN 42 -14.012 2.878 -5.652 269 H LYS 43 H LYS 43 -10.156 8.249 -3.411 270 HA LYS 43 HA LYS 43 -7.467 7.818 -4.458 271 HB2 LYS 43 2HB LYS 43 -9.458 7.978 -6.262 272 HB3 LYS 43 3HB LYS 43 -9.134 9.693 -6.041 273 HG2 LYS 43 2HG LYS 43 -6.635 8.883 -6.382 274 HG3 LYS 43 3HG LYS 43 -7.447 7.578 -7.251 275 HD2 LYS 43 2HD LYS 43 -8.692 9.956 -8.076 276 HD3 LYS 43 3HD LYS 43 -6.958 10.288 -8.075 277 HE2 LYS 43 2HE LYS 43 -7.009 7.838 -9.228 278 HE3 LYS 43 3HE LYS 43 -8.549 8.493 -9.783 279 HZ1 LYS 43 3HZ LYS 43 -7.233 10.509 -10.485 280 HZ2 LYS 43 1HZ LYS 43 -6.970 9.102 -11.387 281 HZ3 LYS 43 2HZ LYS 43 -5.836 9.589 -10.232 282 H SER 44 H SER 44 -9.994 10.116 -3.543 283 HA SER 44 HA SER 44 -7.879 11.933 -2.587 284 HB2 SER 44 2HB SER 44 -9.924 12.463 -4.468 285 HB3 SER 44 3HB SER 44 -10.365 13.321 -2.992 286 HG SER 44 HG SER 44 -9.012 14.590 -4.310 287 H ILE 45 H ILE 45 -7.889 12.346 -0.478 288 HA ILE 45 HA ILE 45 -9.958 11.231 1.191 289 HB ILE 45 HB ILE 45 -7.503 12.829 1.928 290 HG12 ILE 45 2HG1 ILE 45 -8.016 9.855 2.139 291 HG13 ILE 45 3HG1 ILE 45 -7.096 10.612 0.843 292 HG21 ILE 45 1HG2 ILE 45 -9.419 11.277 3.663 293 HG22 ILE 45 2HG2 ILE 45 -7.894 11.975 4.205 294 HG23 ILE 45 3HG2 ILE 45 -9.195 13.026 3.648 295 HD11 ILE 45 3HD1 ILE 45 -5.263 10.710 2.085 296 HD12 ILE 45 1HD1 ILE 45 -6.134 11.391 3.459 297 HD13 ILE 45 2HD1 ILE 45 -6.095 9.644 3.216 298 H ALA 46 H ALA 46 -11.602 12.270 2.137 299 HA ALA 46 HA ALA 46 -11.596 15.213 2.128 300 HB1 ALA 46 1HB ALA 46 -13.575 15.392 1.054 301 HB2 ALA 46 2HB ALA 46 -13.092 13.838 0.374 302 HB3 ALA 46 3HB ALA 46 -14.207 13.894 1.739 303 H VAL 47 H VAL 47 -13.057 16.180 3.701 304 HA VAL 47 HA VAL 47 -12.944 14.792 6.213 305 HB VAL 47 HB VAL 47 -12.521 17.192 6.135 306 HG11 VAL 47 1HG1 VAL 47 -13.951 17.829 4.301 307 HG12 VAL 47 2HG1 VAL 47 -15.390 17.402 5.229 308 HG13 VAL 47 3HG1 VAL 47 -14.389 18.765 5.730 309 HG21 VAL 47 3HG2 VAL 47 -15.083 17.087 7.623 310 HG22 VAL 47 1HG2 VAL 47 -13.843 15.910 8.056 311 HG23 VAL 47 2HG2 VAL 47 -13.490 17.636 8.145 312 H LYS 48 H LYS 48 -14.579 13.907 7.377 313 HA LYS 48 HA LYS 48 -17.172 13.666 6.013 314 HB2 LYS 48 2HB LYS 48 -15.519 11.699 6.979 315 HB3 LYS 48 3HB LYS 48 -16.665 11.895 8.299 316 HG2 LYS 48 2HG LYS 48 -17.585 11.541 5.469 317 HG3 LYS 48 3HG LYS 48 -17.188 10.162 6.497 318 HD2 LYS 48 2HD LYS 48 -18.788 11.488 8.175 319 HD3 LYS 48 3HD LYS 48 -19.459 12.061 6.647 320 HE2 LYS 48 2HE LYS 48 -18.950 9.149 6.945 321 HE3 LYS 48 3HE LYS 48 -20.316 9.841 7.819 322 HZ1 LYS 48 3HZ LYS 48 -20.001 10.492 4.978 323 HZ2 LYS 48 1HZ LYS 48 -21.412 10.338 5.899 324 HZ3 LYS 48 2HZ LYS 48 -20.581 8.957 5.388 325 H THR 49 H THR 49 -15.762 14.047 9.257 326 HA THR 49 HA THR 49 -17.794 15.935 9.997 327 HB THR 49 HB THR 49 -17.753 13.240 11.369 328 HG1 THR 49 HG1 THR 49 -19.590 14.584 9.685 329 HG21 THR 49 3HG2 THR 49 -19.302 15.742 12.054 330 HG22 THR 49 1HG2 THR 49 -17.990 15.041 13.001 331 HG23 THR 49 2HG2 THR 49 -19.510 14.165 12.816 332 H ILE 50 H ILE 50 -16.374 17.403 10.738 333 HA ILE 50 HA ILE 50 -14.222 16.550 12.527 334 HB ILE 50 HB ILE 50 -13.640 18.040 10.650 335 HG12 ILE 50 2HG1 ILE 50 -13.332 19.536 13.251 336 HG13 ILE 50 3HG1 ILE 50 -12.454 18.049 12.912 337 HG21 ILE 50 1HG2 ILE 50 -15.766 19.271 10.556 338 HG22 ILE 50 2HG2 ILE 50 -15.349 20.080 12.065 339 HG23 ILE 50 3HG2 ILE 50 -14.374 20.351 10.622 340 HD11 ILE 50 3HD1 ILE 50 -12.057 20.766 11.867 341 HD12 ILE 50 1HD1 ILE 50 -10.891 19.480 12.175 342 HD13 ILE 50 2HD1 ILE 50 -11.863 19.456 10.702 343 H GLY 51 H GLY 51 -13.923 17.425 14.588 344 HA2 GLY 51 2HA GLY 51 -16.387 18.507 15.781 345 HA3 GLY 51 3HA GLY 51 -15.134 17.635 16.652 346 H GLU 52 H GLU 52 -15.656 19.679 18.008 347 HA GLU 52 HA GLU 52 -13.399 21.315 18.020 348 HB2 GLU 52 2HB GLU 52 -14.547 23.505 17.426 349 HB3 GLU 52 3HB GLU 52 -14.142 22.444 16.084 350 HG2 GLU 52 2HG GLU 52 -16.311 22.000 15.593 351 HG3 GLU 52 3HG GLU 52 -16.842 22.168 17.265 352 H ARG 53 H ARG 53 -14.092 20.205 20.123 353 HA ARG 53 HA ARG 53 -14.880 20.319 22.259 354 HB2 ARG 53 2HB ARG 53 -14.668 23.263 21.615 355 HB3 ARG 53 3HB ARG 53 -14.944 22.628 23.231 356 HG2 ARG 53 2HG ARG 53 -12.748 21.229 22.537 357 HG3 ARG 53 3HG ARG 53 -12.484 22.718 21.626 358 HD2 ARG 53 2HD ARG 53 -13.203 22.707 24.546 359 HD3 ARG 53 3HD ARG 53 -11.535 22.631 23.981 360 HE ARG 53 HE ARG 53 -13.204 24.936 24.073 361 HH11 ARG 53 1HH1 ARG 53 -10.637 23.420 22.275 362 HH12 ARG 53 2HH1 ARG 53 -10.006 24.913 21.665 363 HH21 ARG 53 1HH2 ARG 53 -12.382 26.909 23.276 364 HH22 ARG 53 2HH2 ARG 53 -10.999 26.897 22.236 365 H GLY 54 H GLY 54 -16.908 19.349 21.611 366 HA2 GLY 54 2HA GLY 54 -19.160 20.280 22.710 367 HA3 GLY 54 3HA GLY 54 -19.166 21.127 21.170 368 H ALA 55 H ALA 55 -17.734 18.638 20.057 369 HA ALA 55 HA ALA 55 -20.058 17.408 18.997 370 HB1 ALA 55 1HB ALA 55 -17.727 15.760 18.682 371 HB2 ALA 55 2HB ALA 55 -18.621 16.680 17.470 372 HB3 ALA 55 3HB ALA 55 -17.326 17.453 18.386 373 H ASN 56 H ASN 56 -21.308 15.924 19.905 374 HA ASN 56 HA ASN 56 -20.492 14.577 22.318 375 HB2 ASN 56 2HB ASN 56 -23.008 14.956 20.813 376 HB3 ASN 56 3HB ASN 56 -22.878 13.439 21.699 377 HD21 ASN 56 1HD2 ASN 56 -21.951 13.781 23.991 378 HD22 ASN 56 2HD2 ASN 56 -22.681 15.061 24.893 379 H PHE 57 H PHE 57 -21.187 12.148 22.451 380 HA PHE 57 HA PHE 57 -19.430 10.709 20.751 381 HB2 PHE 57 2HB PHE 57 -20.206 8.724 21.945 382 HB3 PHE 57 3HB PHE 57 -19.891 10.034 23.077 383 HD1 PHE 57 HD2 PHE 57 -21.707 11.132 24.248 384 HD2 PHE 57 HD1 PHE 57 -22.444 7.929 21.543 385 HE1 PHE 57 HE2 PHE 57 -23.979 10.890 25.160 386 HE2 PHE 57 HE1 PHE 57 -24.718 7.683 22.450 387 HZ PHE 57 HZ PHE 57 -25.488 9.163 24.262 388 H ASP 58 H ASP 58 -22.919 11.150 20.833 389 HA ASP 58 HA ASP 58 -23.698 9.170 19.043 390 HB2 ASP 58 2HB ASP 58 -25.037 11.021 20.444 391 HB3 ASP 58 3HB ASP 58 -25.074 11.797 18.863 392 H GLN 59 H GLN 59 -22.692 12.513 18.390 393 HA GLN 59 HA GLN 59 -23.059 12.456 15.612 394 HB2 GLN 59 2HB GLN 59 -21.352 14.100 17.449 395 HB3 GLN 59 3HB GLN 59 -21.191 14.274 15.706 396 HG2 GLN 59 2HG GLN 59 -23.846 14.485 15.913 397 HG3 GLN 59 3HG GLN 59 -23.384 15.092 17.502 398 HE21 GLN 59 1HE2 GLN 59 -23.034 17.182 17.619 399 HE22 GLN 59 2HE2 GLN 59 -22.567 18.215 16.315 400 H PHE 60 H PHE 60 -20.270 11.601 17.609 401 HA PHE 60 HA PHE 60 -18.421 11.191 15.547 402 HB2 PHE 60 2HB PHE 60 -18.037 11.262 18.094 403 HB3 PHE 60 3HB PHE 60 -18.459 9.553 18.072 404 HD1 PHE 60 HD2 PHE 60 -17.157 8.191 16.162 405 HD2 PHE 60 HD1 PHE 60 -15.814 11.784 18.007 406 HE1 PHE 60 HE2 PHE 60 -14.839 7.626 15.565 407 HE2 PHE 60 HE1 PHE 60 -13.492 11.225 17.411 408 HZ PHE 60 HZ PHE 60 -13.002 9.144 16.190 409 H ILE 61 H ILE 61 -20.520 8.844 17.209 410 HA ILE 61 HA ILE 61 -19.774 6.590 15.741 411 HB ILE 61 HB ILE 61 -22.470 7.185 16.966 412 HG12 ILE 61 2HG1 ILE 61 -20.589 7.330 18.564 413 HG13 ILE 61 3HG1 ILE 61 -21.645 5.965 18.909 414 HG21 ILE 61 1HG2 ILE 61 -22.596 4.666 17.083 415 HG22 ILE 61 2HG2 ILE 61 -22.746 5.372 15.474 416 HG23 ILE 61 3HG2 ILE 61 -21.224 4.634 15.975 417 HD11 ILE 61 3HD1 ILE 61 -19.512 5.184 17.147 418 HD12 ILE 61 1HD1 ILE 61 -18.882 5.931 18.614 419 HD13 ILE 61 2HD1 ILE 61 -19.963 4.541 18.726 420 H GLU 62 H GLU 62 -22.381 8.930 15.160 421 HA GLU 62 HA GLU 62 -23.512 7.689 12.924 422 HB2 GLU 62 2HB GLU 62 -23.669 10.281 14.227 423 HB3 GLU 62 3HB GLU 62 -23.794 10.425 12.479 424 HG2 GLU 62 2HG GLU 62 -25.456 8.467 14.023 425 HG3 GLU 62 3HG GLU 62 -25.948 10.146 13.809 426 H ALA 63 H ALA 63 -20.828 9.967 13.194 427 HA ALA 63 HA ALA 63 -20.459 10.412 10.434 428 HB1 ALA 63 1HB ALA 63 -19.492 11.881 12.106 429 HB2 ALA 63 2HB ALA 63 -18.459 10.574 12.685 430 HB3 ALA 63 3HB ALA 63 -18.229 11.226 11.063 431 H ILE 64 H ILE 64 -18.771 8.209 12.671 432 HA ILE 64 HA ILE 64 -17.175 6.992 10.680 433 HB ILE 64 HB ILE 64 -16.751 5.227 12.346 434 HG12 ILE 64 2HG1 ILE 64 -18.809 6.711 13.996 435 HG13 ILE 64 3HG1 ILE 64 -19.001 5.099 13.315 436 HG21 ILE 64 1HG2 ILE 64 -15.235 6.626 13.159 437 HG22 ILE 64 2HG2 ILE 64 -16.188 7.990 12.578 438 HG23 ILE 64 3HG2 ILE 64 -16.452 7.360 14.204 439 HD11 ILE 64 3HD1 ILE 64 -17.616 5.972 15.732 440 HD12 ILE 64 1HD1 ILE 64 -18.329 4.411 15.327 441 HD13 ILE 64 2HD1 ILE 64 -16.712 4.817 14.752 442 H ASP 65 H ASP 65 -17.419 5.108 9.533 443 HA ASP 65 HA ASP 65 -20.044 3.786 9.691 444 HB2 ASP 65 2HB ASP 65 -19.436 5.410 7.645 445 HB3 ASP 65 3HB ASP 65 -18.699 3.927 7.045 446 H LYS 66 H LYS 66 -19.929 1.663 9.981 447 HA LYS 66 HA LYS 66 -17.405 0.329 10.077 448 HB2 LYS 66 2HB LYS 66 -20.239 -0.395 10.620 449 HB3 LYS 66 3HB LYS 66 -19.119 -1.711 10.293 450 HG2 LYS 66 2HG LYS 66 -17.664 -0.406 12.090 451 HG3 LYS 66 3HG LYS 66 -19.264 0.132 12.606 452 HD2 LYS 66 2HD LYS 66 -18.781 -1.828 13.850 453 HD3 LYS 66 3HD LYS 66 -19.948 -2.298 12.611 454 HE2 LYS 66 2HE LYS 66 -17.505 -2.676 11.381 455 HE3 LYS 66 3HE LYS 66 -17.214 -3.194 13.041 456 HZ1 LYS 66 3HZ LYS 66 -19.545 -4.376 12.554 457 HZ2 LYS 66 1HZ LYS 66 -18.050 -5.117 12.270 458 HZ3 LYS 66 2HZ LYS 66 -18.889 -4.388 10.995 459 H ASN 67 H ASN 67 -16.782 0.742 7.828 460 HA ASN 67 HA ASN 67 -17.014 -1.533 6.225 461 HB2 ASN 67 2HB ASN 67 -19.246 -0.971 5.674 462 HB3 ASN 67 3HB ASN 67 -18.857 0.737 5.495 463 HD21 ASN 67 1HD2 ASN 67 -18.643 -2.421 4.045 464 HD22 ASN 67 2HD2 ASN 67 -18.276 -1.880 2.446 465 H VAL 68 H VAL 68 -17.026 1.944 5.427 466 HA VAL 68 HA VAL 68 -14.707 1.636 3.748 467 HB VAL 68 HB VAL 68 -14.884 4.122 3.487 468 HG11 VAL 68 1HG1 VAL 68 -16.366 2.130 2.357 469 HG12 VAL 68 2HG1 VAL 68 -17.617 3.247 2.909 470 HG13 VAL 68 3HG1 VAL 68 -16.349 3.809 1.819 471 HG21 VAL 68 3HG2 VAL 68 -16.001 4.337 5.798 472 HG22 VAL 68 1HG2 VAL 68 -16.579 5.368 4.489 473 HG23 VAL 68 2HG2 VAL 68 -17.494 3.933 4.951 474 HA PRO 69 HA PRO 69 -11.529 2.610 6.616 475 HB2 PRO 69 2HB PRO 69 -9.796 3.980 5.037 476 HB3 PRO 69 3HB PRO 69 -10.038 2.233 4.909 477 HG2 PRO 69 2HG PRO 69 -11.193 4.433 3.239 478 HG3 PRO 69 3HG PRO 69 -10.526 2.872 2.727 479 HD2 PRO 69 2HD PRO 69 -13.188 3.321 2.937 480 HD3 PRO 69 3HD PRO 69 -12.461 1.732 3.250 481 H CYS 70 H CYS 70 -11.751 4.041 8.212 482 HA CYS 70 HA CYS 70 -11.786 6.901 7.540 483 HB2 CYS 70 2HB CYS 70 -14.071 5.816 8.227 484 HB3 CYS 70 3HB CYS 70 -13.399 5.884 9.852 485 HG CYS 70 HG CYS 70 -15.082 8.063 9.585 486 H TYR 71 H TYR 71 -10.628 8.220 8.882 487 HA TYR 71 HA TYR 71 -9.318 6.962 11.198 488 HB2 TYR 71 2HB TYR 71 -7.425 8.729 10.380 489 HB3 TYR 71 3HB TYR 71 -7.435 7.023 9.944 490 HD1 TYR 71 HD1 TYR 71 -8.196 10.429 8.765 491 HD2 TYR 71 HD2 TYR 71 -7.893 6.321 7.698 492 HE1 TYR 71 HE1 TYR 71 -8.298 11.045 6.386 493 HE2 TYR 71 HE2 TYR 71 -7.994 6.926 5.317 494 HH TYR 71 HH TYR 71 -7.740 8.706 3.857 495 H ALA 72 H ALA 72 -9.417 8.104 13.026 496 HA ALA 72 HA ALA 72 -10.309 10.908 12.852 497 HB1 ALA 72 1HB ALA 72 -12.031 9.632 13.867 498 HB2 ALA 72 2HB ALA 72 -10.888 8.805 14.926 499 HB3 ALA 72 3HB ALA 72 -11.228 10.519 15.163 500 H ALA 73 H ALA 73 -9.037 12.435 13.692 501 HA ALA 73 HA ALA 73 -6.696 11.573 15.251 502 HB1 ALA 73 1HB ALA 73 -5.612 13.616 14.510 503 HB2 ALA 73 2HB ALA 73 -6.202 12.696 13.125 504 HB3 ALA 73 3HB ALA 73 -7.085 14.118 13.680 505 H PHE 74 H PHE 74 -6.892 11.867 17.366 506 HA PHE 74 HA PHE 74 -8.430 14.187 18.330 507 HB2 PHE 74 2HB PHE 74 -9.228 11.832 18.921 508 HB3 PHE 74 3HB PHE 74 -7.798 11.717 19.941 509 HD1 PHE 74 HD1 PHE 74 -7.486 13.630 21.675 510 HD2 PHE 74 HD2 PHE 74 -11.185 12.675 19.799 511 HE1 PHE 74 HE1 PHE 74 -8.697 14.747 23.503 512 HE2 PHE 74 HE2 PHE 74 -12.402 13.791 21.622 513 HZ PHE 74 HZ PHE 74 -11.159 14.829 23.477 514 H ASP 75 H ASP 75 -7.469 15.652 19.619 515 HA ASP 75 HA ASP 75 -4.604 15.452 19.988 516 HB2 ASP 75 2HB ASP 75 -4.632 17.749 20.464 517 HB3 ASP 75 3HB ASP 75 -5.914 17.554 19.272 518 H PHE 76 H PHE 76 -3.572 14.969 21.824 519 HA PHE 76 HA PHE 76 -5.051 15.044 24.354 520 HB2 PHE 76 2HB PHE 76 -4.475 12.669 22.987 521 HB3 PHE 76 3HB PHE 76 -3.271 12.762 24.267 522 HD1 PHE 76 HD1 PHE 76 -6.931 13.380 23.856 523 HD2 PHE 76 HD2 PHE 76 -3.811 11.727 26.234 524 HE1 PHE 76 HE1 PHE 76 -8.598 12.568 25.474 525 HE2 PHE 76 HE2 PHE 76 -5.472 10.913 27.855 526 HZ PHE 76 HZ PHE 76 -7.870 11.332 27.476 527 H GLU 77 H GLU 77 -3.498 14.643 26.241 528 HA GLU 77 HA GLU 77 -0.931 15.973 25.667 529 HB2 GLU 77 2HB GLU 77 -1.159 16.768 28.114 530 HB3 GLU 77 3HB GLU 77 -2.116 17.573 26.879 531 HG2 GLU 77 2HG GLU 77 -4.092 16.568 27.574 532 HG3 GLU 77 3HG GLU 77 -3.246 15.292 28.448 533 H TYR 78 H TYR 78 0.893 15.291 26.801 534 HA TYR 78 HA TYR 78 0.673 13.078 28.665 535 HB2 TYR 78 2HB TYR 78 1.110 12.570 25.926 536 HB3 TYR 78 3HB TYR 78 2.666 12.347 26.719 537 HD1 TYR 78 HD1 TYR 78 -0.908 11.326 26.924 538 HD2 TYR 78 HD2 TYR 78 3.130 10.361 27.856 539 HE1 TYR 78 HE1 TYR 78 -1.622 9.097 27.682 540 HE2 TYR 78 HE2 TYR 78 2.428 8.129 28.615 541 HH TYR 78 HH TYR 78 0.008 7.191 29.577 542 H THR 79 H THR 79 2.955 12.376 29.362 543 HA THR 79 HA THR 79 4.577 14.811 29.675 544 HB THR 79 HB THR 79 3.809 14.045 31.807 545 HG1 THR 79 HG1 THR 79 6.395 12.948 31.800 546 HG21 THR 79 3HG2 THR 79 4.571 11.366 30.749 547 HG22 THR 79 1HG2 THR 79 3.143 11.853 31.661 548 HG23 THR 79 2HG2 THR 79 4.688 11.648 32.486 549 H THR 80 H THR 80 5.263 13.964 27.395 550 HA THR 80 HA THR 80 7.117 11.770 27.376 551 HB THR 80 HB THR 80 6.720 13.903 25.269 552 HG1 THR 80 HG1 THR 80 5.397 11.439 25.762 553 HG21 THR 80 3HG2 THR 80 7.755 11.092 24.939 554 HG22 THR 80 1HG2 THR 80 8.811 12.484 25.175 555 HG23 THR 80 2HG2 THR 80 7.768 12.399 23.755 556 H ASN 81 H ASN 81 7.420 15.306 27.082 557 HA ASN 81 HA ASN 81 10.290 15.208 27.142 558 HB2 ASN 81 2HB ASN 81 8.878 16.980 25.980 559 HB3 ASN 81 3HB ASN 81 8.568 17.647 27.581 560 HD21 ASN 81 1HD2 ASN 81 11.065 16.909 25.233 561 HD22 ASN 81 2HD2 ASN 81 12.215 18.059 25.816 562 H ASP 82 H ASP 82 7.714 15.833 29.446 563 HA ASP 82 HA ASP 82 9.170 15.085 31.688 564 HB2 ASP 82 2HB ASP 82 9.904 17.673 30.798 565 HB3 ASP 82 3HB ASP 82 8.948 17.886 32.262 566 H GLY 83 H GLY 83 6.634 17.092 30.341 567 HA2 GLY 83 2HA GLY 83 4.632 15.941 31.963 568 HA3 GLY 83 3HA GLY 83 5.081 17.504 32.629 569 HA PRO 84 HA PRO 84 2.417 19.569 29.835 570 HB2 PRO 84 2HB PRO 84 3.834 21.788 29.173 571 HB3 PRO 84 3HB PRO 84 3.111 21.550 30.769 572 HG2 PRO 84 2HG PRO 84 5.941 21.125 29.889 573 HG3 PRO 84 3HG PRO 84 5.332 21.878 31.375 574 HD2 PRO 84 2HD PRO 84 6.238 19.327 31.299 575 HD3 PRO 84 3HD PRO 84 4.938 19.847 32.392 576 H ARG 85 H ARG 85 2.883 17.697 28.293 577 HA ARG 85 HA ARG 85 4.185 18.748 25.866 578 HB2 ARG 85 2HB ARG 85 5.009 16.547 27.253 579 HB3 ARG 85 3HB ARG 85 3.916 15.824 26.081 580 HG2 ARG 85 2HG ARG 85 5.710 17.758 24.872 581 HG3 ARG 85 3HG ARG 85 6.568 16.444 25.679 582 HD2 ARG 85 2HD ARG 85 4.923 14.899 24.440 583 HD3 ARG 85 3HD ARG 85 4.591 16.304 23.429 584 HE ARG 85 HE ARG 85 6.946 14.665 23.395 585 HH11 ARG 85 1HH1 ARG 85 5.661 17.827 22.708 586 HH12 ARG 85 2HH1 ARG 85 6.876 18.208 21.533 587 HH21 ARG 85 1HH2 ARG 85 8.551 15.155 21.850 588 HH22 ARG 85 2HH2 ARG 85 8.518 16.688 21.045 589 H ASP 86 H ASP 86 3.278 18.000 23.835 590 HA ASP 86 HA ASP 86 0.433 17.262 24.059 591 HB2 ASP 86 2HB ASP 86 0.113 18.634 21.954 592 HB3 ASP 86 3HB ASP 86 0.464 19.554 23.414 593 H LYS 87 H LYS 87 -0.273 15.632 22.803 594 HA LYS 87 HA LYS 87 1.403 14.707 20.587 595 HB2 LYS 87 2HB LYS 87 1.684 13.462 22.928 596 HB3 LYS 87 3HB LYS 87 0.244 12.621 22.370 597 HG2 LYS 87 2HG LYS 87 1.747 11.233 21.445 598 HG3 LYS 87 3HG LYS 87 1.766 12.444 20.161 599 HD2 LYS 87 2HD LYS 87 3.776 13.365 20.895 600 HD3 LYS 87 3HD LYS 87 3.614 12.672 22.510 601 HE2 LYS 87 2HE LYS 87 5.028 11.097 21.791 602 HE3 LYS 87 3HE LYS 87 3.648 10.449 20.905 603 HZ1 LYS 87 3HZ LYS 87 4.658 12.438 19.307 604 HZ2 LYS 87 1HZ LYS 87 4.837 10.771 19.077 605 HZ3 LYS 87 2HZ LYS 87 6.028 11.643 19.903 606 H LEU 88 H LEU 88 0.294 13.729 18.920 607 HA LEU 88 HA LEU 88 -2.634 13.912 19.095 608 HB2 LEU 88 2HB LEU 88 -0.696 14.120 16.820 609 HB3 LEU 88 3HB LEU 88 -2.398 13.762 16.530 610 HG LEU 88 HG LEU 88 -2.765 15.941 17.957 611 HD11 LEU 88 1HD1 LEU 88 -0.173 15.991 18.264 612 HD12 LEU 88 2HD1 LEU 88 -1.067 17.487 17.999 613 HD13 LEU 88 3HD1 LEU 88 -0.197 16.732 16.664 614 HD21 LEU 88 3HD2 LEU 88 -1.763 16.231 15.138 615 HD22 LEU 88 1HD2 LEU 88 -3.031 17.146 15.954 616 HD23 LEU 88 2HD2 LEU 88 -3.302 15.458 15.521 617 H ILE 89 H ILE 89 -3.911 12.178 18.733 618 HA ILE 89 HA ILE 89 -2.559 9.627 18.138 619 HB ILE 89 HB ILE 89 -5.162 9.890 19.630 620 HG12 ILE 89 2HG1 ILE 89 -2.368 9.688 20.777 621 HG13 ILE 89 3HG1 ILE 89 -3.425 11.092 20.882 622 HG21 ILE 89 1HG2 ILE 89 -4.597 7.624 20.398 623 HG22 ILE 89 2HG2 ILE 89 -4.732 7.719 18.643 624 HG23 ILE 89 3HG2 ILE 89 -3.142 7.663 19.403 625 HD11 ILE 89 3HD1 ILE 89 -3.831 10.192 22.914 626 HD12 ILE 89 1HD1 ILE 89 -5.040 9.301 21.990 627 HD13 ILE 89 2HD1 ILE 89 -3.494 8.546 22.379 628 H LEU 90 H LEU 90 -3.590 8.140 16.777 629 HA LEU 90 HA LEU 90 -5.891 9.172 15.261 630 HB2 LEU 90 2HB LEU 90 -3.936 9.522 13.907 631 HB3 LEU 90 3HB LEU 90 -3.404 7.864 14.175 632 HG LEU 90 HG LEU 90 -6.043 8.054 12.933 633 HD11 LEU 90 1HD1 LEU 90 -4.492 10.030 12.054 634 HD12 LEU 90 2HD1 LEU 90 -5.565 9.120 10.990 635 HD13 LEU 90 3HD1 LEU 90 -3.848 8.722 11.061 636 HD21 LEU 90 3HD2 LEU 90 -3.484 6.553 12.533 637 HD22 LEU 90 1HD2 LEU 90 -4.752 6.513 11.307 638 HD23 LEU 90 2HD2 LEU 90 -5.087 5.941 12.942 639 H ILE 91 H ILE 91 -7.553 7.825 15.339 640 HA ILE 91 HA ILE 91 -7.019 4.953 15.734 641 HB ILE 91 HB ILE 91 -9.416 6.540 16.661 642 HG12 ILE 91 2HG1 ILE 91 -8.379 5.472 18.900 643 HG13 ILE 91 3HG1 ILE 91 -6.901 5.639 17.959 644 HG21 ILE 91 1HG2 ILE 91 -8.777 3.609 16.743 645 HG22 ILE 91 2HG2 ILE 91 -9.915 4.348 17.868 646 HG23 ILE 91 3HG2 ILE 91 -10.227 4.406 16.133 647 HD11 ILE 91 3HD1 ILE 91 -8.475 7.648 19.318 648 HD12 ILE 91 1HD1 ILE 91 -6.817 7.718 18.723 649 HD13 ILE 91 2HD1 ILE 91 -8.160 8.071 17.635 650 H SER 92 H SER 92 -7.775 3.582 14.250 651 HA SER 92 HA SER 92 -9.466 4.667 12.113 652 HB2 SER 92 2HB SER 92 -7.849 3.688 10.877 653 HB3 SER 92 3HB SER 92 -7.290 2.702 12.228 654 HG SER 92 HG SER 92 -8.891 2.022 10.163 655 H TRP 93 H TRP 93 -11.504 4.024 11.850 656 HA TRP 93 HA TRP 93 -12.452 1.757 13.471 657 HB2 TRP 93 2HB TRP 93 -14.175 3.966 12.350 658 HB3 TRP 93 3HB TRP 93 -14.581 2.808 13.614 659 HD1 TRP 93 HD1 TRP 93 -12.978 6.176 13.068 660 HE1 TRP 93 HE1 TRP 93 -12.317 7.188 15.340 661 HE3 TRP 93 HE3 TRP 93 -13.733 2.080 16.033 662 HZ2 TRP 93 HZ2 TRP 93 -12.138 6.360 18.033 663 HZ3 TRP 93 HZ3 TRP 93 -13.293 2.273 18.446 664 HH2 TRP 93 HH2 TRP 93 -12.512 4.370 19.423 665 H ASN 94 H ASN 94 -12.786 -0.028 12.333 666 HA ASN 94 HA ASN 94 -14.552 -0.241 10.199 667 HB2 ASN 94 2HB ASN 94 -13.138 0.841 8.691 668 HB3 ASN 94 3HB ASN 94 -11.684 0.152 9.408 669 HD21 ASN 94 1HD2 ASN 94 -11.137 -2.004 8.940 670 HD22 ASN 94 2HD2 ASN 94 -11.757 -2.801 7.539 671 HA PRO 95 HA PRO 95 -14.095 -4.420 11.522 672 HB2 PRO 95 2HB PRO 95 -15.521 -5.627 9.553 673 HB3 PRO 95 3HB PRO 95 -16.276 -4.704 10.857 674 HG2 PRO 95 2HG PRO 95 -15.667 -3.864 8.049 675 HG3 PRO 95 3HG PRO 95 -17.126 -3.570 9.014 676 HD2 PRO 95 2HD PRO 95 -15.204 -1.694 8.669 677 HD3 PRO 95 3HD PRO 95 -16.168 -1.811 10.155 678 H ASP 96 H ASP 96 -12.518 -5.874 11.273 679 HA ASP 96 HA ASP 96 -10.585 -5.701 9.259 680 HB2 ASP 96 2HB ASP 96 -9.632 -7.702 10.192 681 HB3 ASP 96 3HB ASP 96 -10.266 -6.735 11.521 682 H SER 97 H SER 97 -13.634 -7.285 9.313 683 HA SER 97 HA SER 97 -12.945 -8.837 6.912 684 HB2 SER 97 2HB SER 97 -14.576 -9.398 9.220 685 HB3 SER 97 3HB SER 97 -15.553 -9.505 7.756 686 HG SER 97 HG SER 97 -14.410 -11.176 7.092 687 H GLY 98 H GLY 98 -13.804 -5.875 7.372 688 HA2 GLY 98 2HA GLY 98 -16.305 -5.443 6.209 689 HA3 GLY 98 3HA GLY 98 -14.966 -4.305 6.168 690 H ALA 99 H ALA 99 -13.723 -4.119 4.336 691 HA ALA 99 HA ALA 99 -14.375 -5.876 2.076 692 HB1 ALA 99 1HB ALA 99 -15.713 -4.148 1.415 693 HB2 ALA 99 2HB ALA 99 -14.732 -2.929 2.230 694 HB3 ALA 99 3HB ALA 99 -14.184 -3.628 0.706 695 HA PRO 100 HA PRO 100 -10.074 -5.906 1.208 696 HB2 PRO 100 2HB PRO 100 -10.031 -5.937 -1.506 697 HB3 PRO 100 3HB PRO 100 -10.535 -7.327 -0.537 698 HG2 PRO 100 2HG PRO 100 -12.216 -5.280 -1.932 699 HG3 PRO 100 3HG PRO 100 -12.432 -7.038 -1.851 700 HD2 PRO 100 2HD PRO 100 -13.841 -5.323 -0.299 701 HD3 PRO 100 3HD PRO 100 -13.384 -6.949 0.247 702 H ARG 101 H ARG 101 -11.917 -3.522 -0.668 703 HA ARG 101 HA ARG 101 -9.697 -1.924 -1.391 704 HB2 ARG 101 2HB ARG 101 -12.578 -1.060 -1.096 705 HB3 ARG 101 3HB ARG 101 -11.331 -0.252 -2.035 706 HG2 ARG 101 2HG ARG 101 -11.270 -2.721 -3.137 707 HG3 ARG 101 3HG ARG 101 -12.972 -2.593 -2.689 708 HD2 ARG 101 2HD ARG 101 -13.369 -0.880 -4.143 709 HD3 ARG 101 3HD ARG 101 -11.720 -0.266 -4.039 710 HE ARG 101 HE ARG 101 -11.185 -1.550 -5.846 711 HH11 ARG 101 1HH1 ARG 101 -14.104 -2.797 -4.417 712 HH12 ARG 101 2HH1 ARG 101 -14.374 -3.963 -5.670 713 HH21 ARG 101 1HH2 ARG 101 -11.530 -3.081 -7.502 714 HH22 ARG 101 2HH2 ARG 101 -12.909 -4.124 -7.424 715 H THR 102 H THR 102 -11.819 -1.977 1.399 716 HA THR 102 HA THR 102 -11.037 0.522 2.485 717 HB THR 102 HB THR 102 -12.181 -1.908 3.875 718 HG1 THR 102 HG1 THR 102 -13.253 0.137 2.357 719 HG21 THR 102 3HG2 THR 102 -11.774 -0.827 5.783 720 HG22 THR 102 1HG2 THR 102 -12.894 0.424 5.244 721 HG23 THR 102 2HG2 THR 102 -11.168 0.585 4.917 722 H LYS 103 H LYS 103 -9.967 -2.808 3.099 723 HA LYS 103 HA LYS 103 -8.070 -2.118 5.091 724 HB2 LYS 103 2HB LYS 103 -8.817 -4.527 3.571 725 HB3 LYS 103 3HB LYS 103 -7.133 -4.472 4.076 726 HG2 LYS 103 2HG LYS 103 -8.689 -3.692 6.297 727 HG3 LYS 103 3HG LYS 103 -9.444 -5.129 5.603 728 HD2 LYS 103 2HD LYS 103 -7.668 -6.463 6.093 729 HD3 LYS 103 3HD LYS 103 -6.494 -5.162 5.884 730 HE2 LYS 103 2HE LYS 103 -6.778 -4.383 8.035 731 HE3 LYS 103 3HE LYS 103 -8.401 -5.055 8.176 732 HZ1 LYS 103 3HZ LYS 103 -7.613 -7.079 8.775 733 HZ2 LYS 103 1HZ LYS 103 -6.331 -6.144 9.362 734 HZ3 LYS 103 2HZ LYS 103 -6.188 -6.937 7.874 735 H MET 104 H MET 104 -7.879 -2.541 1.594 736 HA MET 104 HA MET 104 -5.045 -2.301 1.444 737 HB2 MET 104 2HB MET 104 -7.297 -2.461 -0.453 738 HB3 MET 104 3HB MET 104 -5.897 -1.570 -1.036 739 HG2 MET 104 2HG MET 104 -5.776 -3.893 -1.699 740 HG3 MET 104 3HG MET 104 -4.474 -3.495 -0.581 741 HE1 MET 104 3HE MET 104 -4.787 -5.857 2.214 742 HE2 MET 104 1HE MET 104 -3.815 -5.722 0.747 743 HE3 MET 104 2HE MET 104 -4.187 -4.281 1.694 744 H LEU 105 H LEU 105 -7.720 -0.037 0.840 745 HA LEU 105 HA LEU 105 -6.136 2.170 0.133 746 HB2 LEU 105 2HB LEU 105 -8.904 1.913 1.265 747 HB3 LEU 105 3HB LEU 105 -8.186 3.487 0.927 748 HG LEU 105 HG LEU 105 -8.431 1.379 -1.199 749 HD11 LEU 105 1HD1 LEU 105 -10.628 2.212 0.072 750 HD12 LEU 105 2HD1 LEU 105 -10.585 1.890 -1.661 751 HD13 LEU 105 3HD1 LEU 105 -10.438 3.544 -1.068 752 HD21 LEU 105 3HD2 LEU 105 -6.930 3.371 -1.487 753 HD22 LEU 105 1HD2 LEU 105 -8.373 4.382 -1.403 754 HD23 LEU 105 2HD2 LEU 105 -8.197 3.204 -2.704 755 H TYR 106 H TYR 106 -7.162 0.922 3.246 756 HA TYR 106 HA TYR 106 -6.552 3.127 4.850 757 HB2 TYR 106 2HB TYR 106 -7.789 1.276 5.764 758 HB3 TYR 106 3HB TYR 106 -6.456 0.168 5.458 759 HD1 TYR 106 HD1 TYR 106 -6.852 3.471 7.178 760 HD2 TYR 106 HD2 TYR 106 -5.377 -0.515 7.369 761 HE1 TYR 106 HE1 TYR 106 -5.979 3.908 9.436 762 HE2 TYR 106 HE2 TYR 106 -4.501 -0.089 9.627 763 HH TYR 106 HH TYR 106 -5.018 3.027 11.241 764 H SER 107 H SER 107 -4.522 0.358 3.925 765 HA SER 107 HA SER 107 -2.219 1.176 5.320 766 HB2 SER 107 2HB SER 107 -2.399 -1.103 4.564 767 HB3 SER 107 3HB SER 107 -2.543 -0.587 2.883 768 HG SER 107 HG SER 107 -0.305 -0.887 4.449 769 H SER 108 H SER 108 -3.384 1.866 2.069 770 HA SER 108 HA SER 108 -1.036 3.146 1.139 771 HB2 SER 108 2HB SER 108 -2.780 2.305 -0.383 772 HB3 SER 108 3HB SER 108 -3.902 3.519 0.232 773 HG SER 108 HG SER 108 -2.723 4.031 -1.776 774 H SER 109 H SER 109 -3.988 4.346 2.676 775 HA SER 109 HA SER 109 -3.270 7.097 2.494 776 HB2 SER 109 2HB SER 109 -5.213 7.538 3.766 777 HB3 SER 109 3HB SER 109 -5.616 6.103 2.823 778 HG SER 109 HG SER 109 -5.177 4.844 4.657 779 H ARG 110 H ARG 110 -3.082 4.676 5.080 780 HA ARG 110 HA ARG 110 -2.151 6.311 7.127 781 HB2 ARG 110 2HB ARG 110 -2.798 3.744 7.036 782 HB3 ARG 110 3HB ARG 110 -1.059 3.546 6.866 783 HG2 ARG 110 2HG ARG 110 -1.000 5.142 8.951 784 HG3 ARG 110 3HG ARG 110 -2.640 4.533 9.180 785 HD2 ARG 110 2HD ARG 110 -1.672 2.825 10.250 786 HD3 ARG 110 3HD ARG 110 -1.232 2.247 8.643 787 HE ARG 110 HE ARG 110 0.683 4.085 9.691 788 HH11 ARG 110 1HH1 ARG 110 -0.375 0.770 9.788 789 HH12 ARG 110 2HH1 ARG 110 1.177 0.151 10.246 790 HH21 ARG 110 1HH2 ARG 110 2.732 3.283 10.294 791 HH22 ARG 110 2HH2 ARG 110 2.943 1.582 10.534 792 H ASP 111 H ASP 111 -0.388 4.696 4.533 793 HA ASP 111 HA ASP 111 2.217 5.187 5.434 794 HB2 ASP 111 2HB ASP 111 1.145 3.898 3.290 795 HB3 ASP 111 3HB ASP 111 1.802 5.337 2.516 796 H ALA 112 H ALA 112 0.019 7.166 3.502 797 HA ALA 112 HA ALA 112 1.957 9.256 3.103 798 HB1 ALA 112 1HB ALA 112 -0.583 10.299 2.594 799 HB2 ALA 112 2HB ALA 112 0.567 9.660 1.419 800 HB3 ALA 112 3HB ALA 112 -0.665 8.605 2.111 801 H LEU 113 H LEU 113 -0.382 8.441 5.502 802 HA LEU 113 HA LEU 113 -0.562 11.110 6.596 803 HB2 LEU 113 2HB LEU 113 -1.761 8.468 7.163 804 HB3 LEU 113 3HB LEU 113 -1.606 9.572 8.528 805 HG LEU 113 HG LEU 113 -2.749 11.097 6.487 806 HD11 LEU 113 1HD1 LEU 113 -4.859 9.466 6.307 807 HD12 LEU 113 2HD1 LEU 113 -3.571 8.262 6.339 808 HD13 LEU 113 3HD1 LEU 113 -3.575 9.515 5.098 809 HD21 LEU 113 3HD2 LEU 113 -4.325 11.515 8.064 810 HD22 LEU 113 1HD2 LEU 113 -3.128 10.742 9.103 811 HD23 LEU 113 2HD2 LEU 113 -4.502 9.815 8.501 812 H VAL 114 H VAL 114 1.359 8.265 7.055 813 HA VAL 114 HA VAL 114 2.256 8.519 9.650 814 HB VAL 114 HB VAL 114 3.477 7.444 7.157 815 HG11 VAL 114 1HG1 VAL 114 4.998 8.084 9.666 816 HG12 VAL 114 2HG1 VAL 114 5.491 6.782 8.581 817 HG13 VAL 114 3HG1 VAL 114 5.426 8.444 7.994 818 HG21 VAL 114 3HG2 VAL 114 3.631 5.858 9.578 819 HG22 VAL 114 1HG2 VAL 114 1.990 6.423 9.261 820 HG23 VAL 114 2HG2 VAL 114 2.855 5.492 8.038 821 HA PRO 115 HA PRO 115 5.729 11.523 8.114 822 HB2 PRO 115 2HB PRO 115 5.418 12.598 5.641 823 HB3 PRO 115 3HB PRO 115 6.280 11.082 5.928 824 HG2 PRO 115 2HG PRO 115 3.469 11.515 4.995 825 HG3 PRO 115 3HG PRO 115 4.676 10.355 4.409 826 HD2 PRO 115 2HD PRO 115 2.684 9.654 6.105 827 HD3 PRO 115 3HD PRO 115 4.282 8.882 6.138 828 H LEU 116 H LEU 116 2.428 12.122 7.030 829 HA LEU 116 HA LEU 116 2.494 14.940 7.248 830 HB2 LEU 116 2HB LEU 116 0.728 13.163 6.255 831 HB3 LEU 116 3HB LEU 116 -0.058 13.559 7.782 832 HG LEU 116 HG LEU 116 -0.996 14.958 6.103 833 HD11 LEU 116 1HD1 LEU 116 0.860 16.956 7.205 834 HD12 LEU 116 2HD1 LEU 116 0.063 15.922 8.389 835 HD13 LEU 116 3HD1 LEU 116 -0.901 16.881 7.265 836 HD21 LEU 116 3HD2 LEU 116 1.420 16.408 5.346 837 HD22 LEU 116 1HD2 LEU 116 0.104 15.792 4.346 838 HD23 LEU 116 2HD2 LEU 116 1.420 14.722 4.827 839 H THR 117 H THR 117 1.366 12.411 9.476 840 HA THR 117 HA THR 117 1.189 14.425 11.606 841 HB THR 117 HB THR 117 -0.007 12.623 12.885 842 HG1 THR 117 HG1 THR 117 -0.869 10.968 11.263 843 HG21 THR 117 3HG2 THR 117 -1.462 14.178 11.967 844 HG22 THR 117 1HG2 THR 117 -2.053 12.668 11.275 845 HG23 THR 117 2HG2 THR 117 -1.043 13.744 10.310 846 H GLN 118 H GLN 118 3.726 14.069 11.174 847 HA GLN 118 HA GLN 118 5.080 11.878 12.172 848 HB2 GLN 118 2HB GLN 118 5.757 14.440 11.296 849 HB3 GLN 118 3HB GLN 118 6.389 14.352 12.935 850 HG2 GLN 118 2HG GLN 118 7.574 12.281 12.342 851 HG3 GLN 118 3HG GLN 118 6.983 12.440 10.689 852 HE21 GLN 118 1HE2 GLN 118 9.206 12.457 10.056 853 HE22 GLN 118 2HE2 GLN 118 10.130 13.913 10.169 854 H GLY 119 H GLY 119 5.167 10.956 14.107 855 HA2 GLY 119 2HA GLY 119 5.446 10.858 16.427 856 HA3 GLY 119 3HA GLY 119 5.129 12.584 16.515 857 H PHE 120 H PHE 120 3.162 10.023 15.052 858 HA PHE 120 HA PHE 120 1.100 10.541 17.086 859 HB2 PHE 120 2HB PHE 120 -0.571 10.862 15.531 860 HB3 PHE 120 3HB PHE 120 0.792 11.583 14.681 861 HD1 PHE 120 HD1 PHE 120 2.230 9.554 13.434 862 HD2 PHE 120 HD2 PHE 120 -1.964 9.698 14.145 863 HE1 PHE 120 HE1 PHE 120 1.860 8.025 11.542 864 HE2 PHE 120 HE2 PHE 120 -2.341 8.169 12.255 865 HZ PHE 120 HZ PHE 120 -0.428 7.330 10.951 866 H GLN 121 H GLN 121 -0.393 8.803 17.439 867 HA GLN 121 HA GLN 121 0.792 6.189 16.817 868 HB2 GLN 121 2HB GLN 121 -1.130 7.004 19.003 869 HB3 GLN 121 3HB GLN 121 -0.554 5.363 18.737 870 HG2 GLN 121 2HG GLN 121 1.030 7.760 19.605 871 HG3 GLN 121 3HG GLN 121 0.732 6.268 20.496 872 HE21 GLN 121 1HE2 GLN 121 2.709 7.874 18.222 873 HE22 GLN 121 2HE2 GLN 121 3.817 6.583 17.928 874 H GLY 122 H GLY 122 -0.094 5.599 14.891 875 HA2 GLY 122 2HA GLY 122 -2.989 5.837 14.531 876 HA3 GLY 122 3HA GLY 122 -1.821 5.425 13.284 877 H ILE 123 H ILE 123 -4.191 4.234 15.307 878 HA ILE 123 HA ILE 123 -3.327 1.476 14.758 879 HB ILE 123 HB ILE 123 -4.687 2.354 17.307 880 HG12 ILE 123 2HG1 ILE 123 -2.288 1.342 18.078 881 HG13 ILE 123 3HG1 ILE 123 -1.841 2.097 16.552 882 HG21 ILE 123 1HG2 ILE 123 -3.800 -0.053 17.901 883 HG22 ILE 123 2HG2 ILE 123 -5.342 0.175 17.079 884 HG23 ILE 123 3HG2 ILE 123 -3.909 -0.275 16.155 885 HD11 ILE 123 3HD1 ILE 123 -3.375 4.018 17.794 886 HD12 ILE 123 1HD1 ILE 123 -2.452 3.299 19.113 887 HD13 ILE 123 2HD1 ILE 123 -1.614 3.972 17.714 888 H GLN 124 H GLN 124 -4.884 0.108 14.038 889 HA GLN 124 HA GLN 124 -7.544 1.276 13.603 890 HB2 GLN 124 2HB GLN 124 -7.779 -0.451 11.831 891 HB3 GLN 124 3HB GLN 124 -6.440 0.655 11.552 892 HG2 GLN 124 2HG GLN 124 -5.102 -1.084 11.318 893 HG3 GLN 124 3HG GLN 124 -5.384 -1.494 13.010 894 HE21 GLN 124 1HE2 GLN 124 -5.665 -3.610 13.083 895 HE22 GLN 124 2HE2 GLN 124 -6.737 -4.523 12.080 896 H ALA 125 H ALA 125 -9.097 0.616 14.919 897 HA ALA 125 HA ALA 125 -9.314 -2.207 15.602 898 HB1 ALA 125 1HB ALA 125 -8.822 -0.034 17.592 899 HB2 ALA 125 2HB ALA 125 -9.804 -1.431 18.037 900 HB3 ALA 125 3HB ALA 125 -8.137 -1.658 17.508 901 H ASN 126 H ASN 126 -11.360 -2.848 15.423 902 HA ASN 126 HA ASN 126 -13.450 -0.806 15.244 903 HB2 ASN 126 2HB ASN 126 -14.680 -2.291 13.934 904 HB3 ASN 126 3HB ASN 126 -13.022 -2.664 13.472 905 HD21 ASN 126 1HD2 ASN 126 -15.911 -3.961 14.362 906 HD22 ASN 126 2HD2 ASN 126 -15.376 -5.517 14.889 907 H ASP 127 H ASP 127 -15.558 -1.250 16.221 908 HA ASP 127 HA ASP 127 -16.904 -1.714 17.996 909 HB2 ASP 127 2HB ASP 127 -15.780 -4.130 17.319 910 HB3 ASP 127 3HB ASP 127 -15.384 -3.999 19.031 911 H ALA 128 H ALA 128 -16.365 -2.741 20.527 912 HA ALA 128 HA ALA 128 -15.435 -0.536 21.910 913 HB1 ALA 128 1HB ALA 128 -15.312 -3.380 22.901 914 HB2 ALA 128 2HB ALA 128 -15.413 -1.912 23.874 915 HB3 ALA 128 3HB ALA 128 -16.776 -2.398 22.867 916 H SER 129 H SER 129 -13.645 -3.115 20.440 917 HA SER 129 HA SER 129 -11.252 -2.970 21.879 918 HB2 SER 129 2HB SER 129 -12.139 -4.079 19.325 919 HB3 SER 129 3HB SER 129 -10.461 -3.537 19.285 920 HG SER 129 HG SER 129 -10.202 -5.476 20.128 921 H GLY 130 H GLY 130 -12.662 -0.768 19.651 922 HA2 GLY 130 2HA GLY 130 -10.147 0.566 19.048 923 HA3 GLY 130 3HA GLY 130 -11.737 1.019 18.453 924 H LEU 131 H LEU 131 -12.500 0.701 21.485 925 HA LEU 131 HA LEU 131 -11.848 3.489 22.132 926 HB2 LEU 131 2HB LEU 131 -13.898 1.824 23.547 927 HB3 LEU 131 3HB LEU 131 -13.790 3.579 23.428 928 HG LEU 131 HG LEU 131 -14.439 1.805 21.081 929 HD11 LEU 131 1HD1 LEU 131 -16.601 3.376 22.274 930 HD12 LEU 131 2HD1 LEU 131 -16.038 2.035 23.271 931 HD13 LEU 131 3HD1 LEU 131 -16.608 1.735 21.629 932 HD21 LEU 131 3HD2 LEU 131 -15.355 4.597 21.248 933 HD22 LEU 131 1HD2 LEU 131 -14.701 3.693 19.883 934 HD23 LEU 131 2HD2 LEU 131 -13.612 4.375 21.092 935 H ASP 132 H ASP 132 -10.112 1.088 22.563 936 HA ASP 132 HA ASP 132 -10.041 0.584 25.372 937 HB2 ASP 132 2HB ASP 132 -8.331 -0.095 23.029 938 HB3 ASP 132 3HB ASP 132 -7.601 -0.192 24.629 939 H PHE 133 H PHE 133 -9.852 2.450 26.541 940 HA PHE 133 HA PHE 133 -8.179 4.613 25.942 941 HB2 PHE 133 2HB PHE 133 -8.515 5.296 28.274 942 HB3 PHE 133 3HB PHE 133 -10.028 4.759 27.550 943 HD1 PHE 133 HD1 PHE 133 -11.057 2.661 28.230 944 HD2 PHE 133 HD2 PHE 133 -7.479 4.069 30.055 945 HE1 PHE 133 HE1 PHE 133 -11.378 1.070 30.079 946 HE2 PHE 133 HE2 PHE 133 -7.793 2.479 31.906 947 HZ PHE 133 HZ PHE 133 -9.744 0.976 31.920 948 H GLU 134 H GLU 134 -7.604 1.671 27.794 949 HA GLU 134 HA GLU 134 -5.094 2.413 28.857 950 HB2 GLU 134 2HB GLU 134 -6.662 0.440 29.489 951 HB3 GLU 134 3HB GLU 134 -5.821 -0.427 28.211 952 HG2 GLU 134 2HG GLU 134 -3.705 -0.097 29.339 953 HG3 GLU 134 3HG GLU 134 -4.500 0.851 30.594 954 H GLU 135 H GLU 135 -6.037 0.743 25.887 955 HA GLU 135 HA GLU 135 -3.413 0.110 25.038 956 HB2 GLU 135 2HB GLU 135 -5.544 -0.929 24.186 957 HB3 GLU 135 3HB GLU 135 -5.825 0.549 23.275 958 HG2 GLU 135 2HG GLU 135 -4.790 -0.581 21.639 959 HG3 GLU 135 3HG GLU 135 -3.333 -0.024 22.459 960 H ILE 136 H ILE 136 -5.547 2.858 24.423 961 HA ILE 136 HA ILE 136 -3.919 4.138 22.508 962 HB ILE 136 HB ILE 136 -5.914 5.358 24.420 963 HG12 ILE 136 2HG1 ILE 136 -6.401 4.833 21.510 964 HG13 ILE 136 3HG1 ILE 136 -6.581 3.522 22.670 965 HG21 ILE 136 1HG2 ILE 136 -6.004 7.127 22.574 966 HG22 ILE 136 2HG2 ILE 136 -4.614 7.146 23.659 967 HG23 ILE 136 3HG2 ILE 136 -4.460 6.462 22.040 968 HD11 ILE 136 3HD1 ILE 136 -8.681 4.234 22.851 969 HD12 ILE 136 1HD1 ILE 136 -8.010 5.526 23.845 970 HD13 ILE 136 2HD1 ILE 136 -8.312 5.800 22.129 971 H SER 137 H SER 137 -4.205 4.573 26.024 972 HA SER 137 HA SER 137 -2.310 6.642 26.245 973 HB2 SER 137 2HB SER 137 -2.157 5.759 28.678 974 HB3 SER 137 3HB SER 137 -3.707 6.381 28.111 975 HG SER 137 HG SER 137 -4.537 4.446 28.258 976 H ARG 138 H ARG 138 -2.003 3.128 26.393 977 HA ARG 138 HA ARG 138 0.718 3.073 27.167 978 HB2 ARG 138 2HB ARG 138 -1.030 1.174 27.207 979 HB3 ARG 138 3HB ARG 138 -0.602 0.932 25.519 980 HG2 ARG 138 2HG ARG 138 1.661 1.067 27.393 981 HG3 ARG 138 3HG ARG 138 0.592 -0.325 27.575 982 HD2 ARG 138 2HD ARG 138 1.076 0.073 24.802 983 HD3 ARG 138 3HD ARG 138 2.625 0.109 25.642 984 HE ARG 138 HE ARG 138 1.071 -2.078 26.537 985 HH11 ARG 138 1HH1 ARG 138 2.955 -0.986 23.820 986 HH12 ARG 138 2HH1 ARG 138 3.376 -2.585 23.303 987 HH21 ARG 138 1HH2 ARG 138 1.618 -4.188 25.866 988 HH22 ARG 138 2HH2 ARG 138 2.614 -4.406 24.467 989 H LYS 139 H LYS 139 -0.900 3.210 24.049 990 HA LYS 139 HA LYS 139 1.391 2.714 22.457 991 HB2 LYS 139 2HB LYS 139 -1.240 4.067 21.867 992 HB3 LYS 139 3HB LYS 139 0.000 3.822 20.644 993 HG2 LYS 139 2HG LYS 139 -0.908 1.472 22.219 994 HG3 LYS 139 3HG LYS 139 -1.976 2.116 20.970 995 HD2 LYS 139 2HD LYS 139 -0.274 1.826 19.293 996 HD3 LYS 139 3HD LYS 139 0.907 1.353 20.516 997 HE2 LYS 139 2HE LYS 139 -1.516 -0.260 20.594 998 HE3 LYS 139 3HE LYS 139 -0.686 -0.349 19.041 999 HZ1 LYS 139 3HZ LYS 139 0.110 -1.383 21.616 1000 HZ2 LYS 139 1HZ LYS 139 1.348 -0.591 20.778 1001 HZ3 LYS 139 2HZ LYS 139 0.542 -1.895 20.063 1002 H VAL 140 H VAL 140 -0.230 5.722 23.441 1003 HA VAL 140 HA VAL 140 1.606 7.449 22.145 1004 HB VAL 140 HB VAL 140 0.641 9.229 23.567 1005 HG11 VAL 140 1HG1 VAL 140 -1.415 9.282 22.486 1006 HG12 VAL 140 2HG1 VAL 140 -0.453 8.220 21.456 1007 HG13 VAL 140 3HG1 VAL 140 -1.624 7.534 22.583 1008 HG21 VAL 140 3HG2 VAL 140 -1.269 8.610 25.052 1009 HG22 VAL 140 1HG2 VAL 140 -0.803 6.920 24.859 1010 HG23 VAL 140 2HG2 VAL 140 0.303 8.058 25.629 1011 H LYS 141 H LYS 141 1.430 6.094 25.393 1012 HA LYS 141 HA LYS 141 3.435 7.645 26.593 1013 HB2 LYS 141 2HB LYS 141 1.854 6.182 27.824 1014 HB3 LYS 141 3HB LYS 141 2.702 4.774 27.199 1015 HG2 LYS 141 2HG LYS 141 4.661 5.300 28.427 1016 HG3 LYS 141 3HG LYS 141 4.039 6.895 28.858 1017 HD2 LYS 141 2HD LYS 141 3.232 6.000 30.729 1018 HD3 LYS 141 3HD LYS 141 2.110 5.064 29.739 1019 HE2 LYS 141 2HE LYS 141 4.216 3.493 29.471 1020 HE3 LYS 141 3HE LYS 141 4.685 4.251 30.991 1021 HZ1 LYS 141 3HZ LYS 141 2.210 3.633 31.592 1022 HZ2 LYS 141 1HZ LYS 141 3.474 2.525 31.785 1023 HZ3 LYS 141 2HZ LYS 141 2.470 2.433 30.428 1024 H SER 142 H SER 142 3.591 4.798 24.558 1025 HA SER 142 HA SER 142 6.440 4.463 24.996 1026 HB2 SER 142 2HB SER 142 4.783 2.550 24.623 1027 HB3 SER 142 3HB SER 142 4.768 3.036 22.928 1028 HG SER 142 HG SER 142 6.976 2.132 24.459 1029 H ASN 143 H ASN 143 4.274 5.832 22.624 1030 HA ASN 143 HA ASN 143 4.629 7.134 20.794 1031 HB2 ASN 143 2HB ASN 143 6.171 8.311 22.409 1032 HB3 ASN 143 3HB ASN 143 7.493 7.363 21.733 1033 HD21 ASN 143 1HD2 ASN 143 8.139 9.728 21.426 1034 HD22 ASN 143 2HD2 ASN 143 7.741 10.422 19.894 1035 H ARG 144 H ARG 144 5.054 4.247 20.692 1036 HA ARG 144 HA ARG 144 7.271 3.527 19.146 1037 HB2 ARG 144 2HB ARG 144 4.942 2.267 20.129 1038 HB3 ARG 144 3HB ARG 144 4.971 1.977 18.394 1039 HG2 ARG 144 2HG ARG 144 7.343 1.185 18.679 1040 HG3 ARG 144 3HG ARG 144 7.065 1.247 20.420 1041 HD2 ARG 144 2HD ARG 144 4.925 -0.170 19.735 1042 HD3 ARG 144 3HD ARG 144 5.961 -0.602 18.375 1043 HE ARG 144 HE ARG 144 6.226 -1.473 21.088 1044 HH11 ARG 144 1HH1 ARG 144 7.966 -0.808 18.147 1045 HH12 ARG 144 2HH1 ARG 144 9.268 -1.888 18.519 1046 HH21 ARG 144 1HH2 ARG 144 7.935 -2.898 21.590 1047 HH22 ARG 144 2HH2 ARG 144 9.250 -3.077 20.477 Start of MODEL 7 1 H MET 9 H MET 9 -8.696 -8.230 -5.962 2 HA MET 9 HA MET 9 -8.135 -6.134 -4.043 3 HB2 MET 9 2HB MET 9 -7.094 -8.532 -4.188 4 HB3 MET 9 3HB MET 9 -6.017 -7.791 -5.364 5 HG2 MET 9 2HG MET 9 -4.759 -7.007 -3.731 6 HG3 MET 9 3HG MET 9 -6.128 -6.092 -3.104 7 HE1 MET 9 3HE MET 9 -3.695 -8.816 -2.760 8 HE2 MET 9 1HE MET 9 -3.534 -7.749 -1.364 9 HE3 MET 9 2HE MET 9 -3.987 -9.438 -1.135 10 H ALA 10 H ALA 10 -7.784 -4.118 -4.678 11 HA ALA 10 HA ALA 10 -6.108 -3.633 -7.027 12 HB1 ALA 10 1HB ALA 10 -8.511 -3.521 -7.716 13 HB2 ALA 10 2HB ALA 10 -8.700 -2.155 -6.615 14 HB3 ALA 10 3HB ALA 10 -7.597 -2.036 -7.986 15 H MET 11 H MET 11 -5.384 -1.337 -7.142 16 HA MET 11 HA MET 11 -5.450 0.081 -4.590 17 HB2 MET 11 2HB MET 11 -3.056 0.288 -4.447 18 HB3 MET 11 3HB MET 11 -3.462 -1.420 -4.549 19 HG2 MET 11 2HG MET 11 -3.037 -1.143 -7.073 20 HG3 MET 11 3HG MET 11 -2.215 0.346 -6.613 21 HE1 MET 11 3HE MET 11 -0.408 -2.649 -7.910 22 HE2 MET 11 1HE MET 11 -0.841 -3.819 -6.664 23 HE3 MET 11 2HE MET 11 -2.104 -2.930 -7.514 24 H SER 12 H SER 12 -4.691 2.295 -4.745 25 HA SER 12 HA SER 12 -4.482 3.355 -7.468 26 HB2 SER 12 2HB SER 12 -6.736 3.728 -5.644 27 HB3 SER 12 3HB SER 12 -6.043 5.254 -6.194 28 HG SER 12 HG SER 12 -7.748 3.998 -7.513 29 H GLY 13 H GLY 13 -4.581 4.353 -4.040 30 HA2 GLY 13 2HA GLY 13 -2.154 5.083 -3.405 31 HA3 GLY 13 3HA GLY 13 -2.483 6.323 -4.606 32 H VAL 14 H VAL 14 -4.955 7.163 -4.145 33 HA VAL 14 HA VAL 14 -6.207 8.544 -2.838 34 HB VAL 14 HB VAL 14 -5.263 6.609 -0.730 35 HG11 VAL 14 1HG1 VAL 14 -6.790 9.129 -0.455 36 HG12 VAL 14 2HG1 VAL 14 -7.386 7.730 0.442 37 HG13 VAL 14 3HG1 VAL 14 -5.738 8.307 0.697 38 HG21 VAL 14 3HG2 VAL 14 -6.957 6.103 -2.688 39 HG22 VAL 14 1HG2 VAL 14 -7.229 5.485 -1.058 40 HG23 VAL 14 2HG2 VAL 14 -8.089 6.922 -1.611 41 H SER 15 H SER 15 -5.283 10.516 -2.936 42 HA SER 15 HA SER 15 -2.974 11.087 -1.223 43 HB2 SER 15 2HB SER 15 -3.969 12.133 -3.783 44 HB3 SER 15 3HB SER 15 -3.418 13.381 -2.665 45 HG SER 15 HG SER 15 -1.914 11.956 -4.202 46 H VAL 16 H VAL 16 -3.047 12.506 0.441 47 HA VAL 16 HA VAL 16 -5.599 13.183 1.529 48 HB VAL 16 HB VAL 16 -3.782 12.638 3.028 49 HG11 VAL 16 1HG1 VAL 16 -2.222 15.045 2.852 50 HG12 VAL 16 2HG1 VAL 16 -1.700 13.363 2.742 51 HG13 VAL 16 3HG1 VAL 16 -2.244 14.214 1.296 52 HG21 VAL 16 3HG2 VAL 16 -3.965 14.482 4.587 53 HG22 VAL 16 1HG2 VAL 16 -4.484 15.560 3.291 54 HG23 VAL 16 2HG2 VAL 16 -5.517 14.220 3.790 55 H ALA 17 H ALA 17 -6.759 14.973 1.255 56 HA ALA 17 HA ALA 17 -5.972 16.993 -0.570 57 HB1 ALA 17 1HB ALA 17 -8.283 16.514 -0.402 58 HB2 ALA 17 2HB ALA 17 -8.285 16.783 1.342 59 HB3 ALA 17 3HB ALA 17 -8.066 18.143 0.240 60 H ASP 18 H ASP 18 -5.586 19.213 -0.191 61 HA ASP 18 HA ASP 18 -3.755 19.823 1.793 62 HB2 ASP 18 2HB ASP 18 -5.581 21.689 0.265 63 HB3 ASP 18 3HB ASP 18 -4.193 22.209 1.218 64 H GLU 19 H GLU 19 -7.257 20.173 1.798 65 HA GLU 19 HA GLU 19 -7.559 21.749 4.077 66 HB2 GLU 19 2HB GLU 19 -9.818 20.730 4.251 67 HB3 GLU 19 3HB GLU 19 -9.436 21.297 2.631 68 HG2 GLU 19 2HG GLU 19 -8.666 18.817 2.283 69 HG3 GLU 19 3HG GLU 19 -9.744 18.519 3.645 70 H CYS 20 H CYS 20 -7.261 18.235 3.759 71 HA CYS 20 HA CYS 20 -7.656 17.640 6.493 72 HB2 CYS 20 2HB CYS 20 -6.599 16.185 4.122 73 HB3 CYS 20 3HB CYS 20 -6.203 15.538 5.710 74 HG CYS 20 HG CYS 20 -9.186 15.838 6.252 75 H VAL 21 H VAL 21 -4.755 18.264 4.570 76 HA VAL 21 HA VAL 21 -2.835 17.643 6.504 77 HB VAL 21 HB VAL 21 -2.604 19.805 4.409 78 HG11 VAL 21 1HG1 VAL 21 -0.638 18.294 6.085 79 HG12 VAL 21 2HG1 VAL 21 -0.166 18.943 4.513 80 HG13 VAL 21 3HG1 VAL 21 -0.745 20.027 5.778 81 HG21 VAL 21 3HG2 VAL 21 -1.492 17.891 3.108 82 HG22 VAL 21 1HG2 VAL 21 -2.341 16.822 4.224 83 HG23 VAL 21 2HG2 VAL 21 -3.253 17.920 3.188 84 H THR 22 H THR 22 -4.262 20.806 5.694 85 HA THR 22 HA THR 22 -2.945 22.259 7.709 86 HB THR 22 HB THR 22 -5.679 23.000 6.699 87 HG1 THR 22 HG1 THR 22 -3.200 23.312 5.321 88 HG21 THR 22 3HG2 THR 22 -4.906 25.245 6.958 89 HG22 THR 22 1HG2 THR 22 -3.249 24.707 7.227 90 HG23 THR 22 2HG2 THR 22 -4.491 24.378 8.436 91 H ALA 23 H ALA 23 -6.070 20.603 7.663 92 HA ALA 23 HA ALA 23 -7.061 21.486 10.117 93 HB1 ALA 23 1HB ALA 23 -8.230 19.151 10.062 94 HB2 ALA 23 2HB ALA 23 -8.633 20.374 8.856 95 HB3 ALA 23 3HB ALA 23 -7.532 19.060 8.444 96 H LEU 24 H LEU 24 -5.019 18.681 9.363 97 HA LEU 24 HA LEU 24 -4.894 17.717 12.028 98 HB2 LEU 24 2HB LEU 24 -3.060 17.273 9.678 99 HB3 LEU 24 3HB LEU 24 -2.964 16.391 11.201 100 HG LEU 24 HG LEU 24 -5.410 16.358 9.445 101 HD11 LEU 24 1HD1 LEU 24 -2.978 15.364 8.677 102 HD12 LEU 24 2HD1 LEU 24 -4.546 14.787 8.115 103 HD13 LEU 24 3HD1 LEU 24 -3.735 13.970 9.450 104 HD21 LEU 24 3HD2 LEU 24 -4.465 14.826 11.841 105 HD22 LEU 24 1HD2 LEU 24 -5.639 14.132 10.721 106 HD23 LEU 24 2HD2 LEU 24 -6.011 15.632 11.572 107 H ASN 25 H ASN 25 -2.828 19.848 10.111 108 HA ASN 25 HA ASN 25 -0.675 20.061 11.870 109 HB2 ASN 25 2HB ASN 25 -1.816 21.842 9.750 110 HB3 ASN 25 3HB ASN 25 -0.532 22.454 10.788 111 HD21 ASN 25 1HD2 ASN 25 1.174 22.498 9.477 112 HD22 ASN 25 2HD2 ASN 25 1.795 21.140 8.607 113 H ASP 26 H ASP 26 -3.648 21.990 11.677 114 HA ASP 26 HA ASP 26 -2.963 23.682 13.867 115 HB2 ASP 26 2HB ASP 26 -5.580 23.126 12.464 116 HB3 ASP 26 3HB ASP 26 -5.417 24.296 13.771 117 H LEU 27 H LEU 27 -4.817 20.709 13.518 118 HA LEU 27 HA LEU 27 -6.004 20.636 16.048 119 HB2 LEU 27 2HB LEU 27 -6.390 19.129 14.015 120 HB3 LEU 27 3HB LEU 27 -5.016 18.196 14.605 121 HG LEU 27 HG LEU 27 -6.577 18.302 16.829 122 HD11 LEU 27 1HD1 LEU 27 -8.764 18.494 16.416 123 HD12 LEU 27 2HD1 LEU 27 -8.661 17.562 14.922 124 HD13 LEU 27 3HD1 LEU 27 -8.269 19.282 14.917 125 HD21 LEU 27 3HD2 LEU 27 -5.944 16.373 14.737 126 HD22 LEU 27 1HD2 LEU 27 -7.457 16.025 15.574 127 HD23 LEU 27 2HD2 LEU 27 -5.958 16.183 16.491 128 H ARG 28 H ARG 28 -2.805 19.633 14.965 129 HA ARG 28 HA ARG 28 -2.012 18.294 17.309 130 HB2 ARG 28 2HB ARG 28 0.058 18.138 16.340 131 HB3 ARG 28 3HB ARG 28 -0.903 18.507 14.914 132 HG2 ARG 28 2HG ARG 28 -0.304 20.990 15.605 133 HG3 ARG 28 3HG ARG 28 1.067 20.179 16.364 134 HD2 ARG 28 2HD ARG 28 0.389 19.422 13.577 135 HD3 ARG 28 3HD ARG 28 1.118 21.006 13.836 136 HE ARG 28 HE ARG 28 2.676 19.214 15.236 137 HH11 ARG 28 1HH1 ARG 28 1.709 19.694 11.926 138 HH12 ARG 28 2HH1 ARG 28 3.159 19.013 11.267 139 HH21 ARG 28 1HH2 ARG 28 4.590 18.315 14.380 140 HH22 ARG 28 2HH2 ARG 28 4.797 18.228 12.664 141 H HIS 29 H HIS 29 -2.309 21.649 16.549 142 HA HIS 29 HA HIS 29 -0.697 22.458 18.845 143 HB2 HIS 29 2HB HIS 29 -1.101 23.604 16.369 144 HB3 HIS 29 3HB HIS 29 -2.137 24.570 17.416 145 HD1 HIS 29 HD1 HIS 29 -0.906 25.763 19.466 146 HD2 HIS 29 HD2 HIS 29 1.574 24.167 16.540 147 HE1 HIS 29 HE1 HIS 29 1.342 26.826 19.837 148 H LYS 30 H LYS 30 -3.407 21.078 18.921 149 HA LYS 30 HA LYS 30 -5.311 21.140 20.166 150 HB2 LYS 30 2HB LYS 30 -3.949 23.295 21.779 151 HB3 LYS 30 3HB LYS 30 -5.179 22.161 22.321 152 HG2 LYS 30 2HG LYS 30 -3.521 20.321 21.889 153 HG3 LYS 30 3HG LYS 30 -2.309 21.581 21.645 154 HD2 LYS 30 2HD LYS 30 -3.885 21.888 24.096 155 HD3 LYS 30 3HD LYS 30 -2.912 20.416 24.043 156 HE2 LYS 30 2HE LYS 30 -0.912 21.685 23.656 157 HE3 LYS 30 3HE LYS 30 -1.836 23.175 23.478 158 HZ1 LYS 30 3HZ LYS 30 -2.543 22.907 25.814 159 HZ2 LYS 30 1HZ LYS 30 -0.871 23.108 25.649 160 HZ3 LYS 30 2HZ LYS 30 -1.511 21.574 25.956 161 H LYS 31 H LYS 31 -5.523 22.586 17.873 162 HA LYS 31 HA LYS 31 -6.456 25.251 18.346 163 HB2 LYS 31 2HB LYS 31 -6.963 25.324 16.028 164 HB3 LYS 31 3HB LYS 31 -5.484 24.385 16.176 165 HG2 LYS 31 2HG LYS 31 -6.562 22.989 14.784 166 HG3 LYS 31 3HG LYS 31 -7.293 22.403 16.280 167 HD2 LYS 31 2HD LYS 31 -9.243 23.741 15.934 168 HD3 LYS 31 3HD LYS 31 -8.490 24.585 14.579 169 HE2 LYS 31 2HE LYS 31 -8.634 21.648 14.352 170 HE3 LYS 31 3HE LYS 31 -10.178 22.497 14.308 171 HZ1 LYS 31 3HZ LYS 31 -9.654 23.544 12.365 172 HZ2 LYS 31 1HZ LYS 31 -8.806 22.097 12.139 173 HZ3 LYS 31 2HZ LYS 31 -7.985 23.490 12.635 174 H SER 32 H SER 32 -7.908 22.081 18.204 175 HA SER 32 HA SER 32 -10.443 23.249 19.084 176 HB2 SER 32 2HB SER 32 -9.992 21.982 16.516 177 HB3 SER 32 3HB SER 32 -11.207 21.108 17.449 178 HG SER 32 HG SER 32 -11.242 23.745 16.497 179 H ARG 33 H ARG 33 -9.525 19.964 18.098 180 HA ARG 33 HA ARG 33 -8.990 18.922 20.628 181 HB2 ARG 33 2HB ARG 33 -11.692 19.532 20.382 182 HB3 ARG 33 3HB ARG 33 -11.617 17.804 20.066 183 HG2 ARG 33 2HG ARG 33 -10.489 19.175 22.498 184 HG3 ARG 33 3HG ARG 33 -12.025 18.309 22.428 185 HD2 ARG 33 2HD ARG 33 -9.996 16.617 21.379 186 HD3 ARG 33 3HD ARG 33 -9.425 17.276 22.911 187 HE ARG 33 HE ARG 33 -11.585 15.411 22.517 188 HH11 ARG 33 1HH1 ARG 33 -10.168 17.775 24.642 189 HH12 ARG 33 2HH1 ARG 33 -10.909 17.129 26.069 190 HH21 ARG 33 1HH2 ARG 33 -12.567 14.550 24.387 191 HH22 ARG 33 2HH2 ARG 33 -12.272 15.294 25.923 192 H TYR 34 H TYR 34 -11.147 17.774 18.029 193 HA TYR 34 HA TYR 34 -9.072 15.932 17.128 194 HB2 TYR 34 2HB TYR 34 -10.937 14.113 17.085 195 HB3 TYR 34 3HB TYR 34 -10.083 14.433 18.590 196 HD1 TYR 34 HD1 TYR 34 -13.229 15.085 16.749 197 HD2 TYR 34 HD2 TYR 34 -11.239 15.200 20.508 198 HE1 TYR 34 HE1 TYR 34 -15.377 15.518 17.866 199 HE2 TYR 34 HE2 TYR 34 -13.381 15.632 21.636 200 HH TYR 34 HH TYR 34 -15.584 16.509 21.129 201 H VAL 35 H VAL 35 -9.469 15.043 15.031 202 HA VAL 35 HA VAL 35 -11.689 16.227 13.528 203 HB VAL 35 HB VAL 35 -9.828 17.742 13.152 204 HG11 VAL 35 1HG1 VAL 35 -8.269 15.462 11.969 205 HG12 VAL 35 2HG1 VAL 35 -7.712 17.092 12.354 206 HG13 VAL 35 3HG1 VAL 35 -8.085 15.957 13.651 207 HG21 VAL 35 3HG2 VAL 35 -10.256 15.983 10.739 208 HG22 VAL 35 1HG2 VAL 35 -11.372 17.230 11.295 209 HG23 VAL 35 2HG2 VAL 35 -9.760 17.675 10.735 210 H ILE 36 H ILE 36 -12.665 14.765 12.292 211 HA ILE 36 HA ILE 36 -11.230 12.266 11.694 212 HB ILE 36 HB ILE 36 -14.219 12.659 11.651 213 HG12 ILE 36 2HG1 ILE 36 -12.482 11.592 13.888 214 HG13 ILE 36 3HG1 ILE 36 -13.379 13.106 13.911 215 HG21 ILE 36 1HG2 ILE 36 -13.200 10.010 12.224 216 HG22 ILE 36 2HG2 ILE 36 -14.345 10.536 10.991 217 HG23 ILE 36 3HG2 ILE 36 -12.612 10.622 10.679 218 HD11 ILE 36 3HD1 ILE 36 -14.601 10.364 13.712 219 HD12 ILE 36 1HD1 ILE 36 -14.494 11.337 15.178 220 HD13 ILE 36 2HD1 ILE 36 -15.471 11.894 13.819 221 H MET 37 H MET 37 -10.998 11.578 9.635 222 HA MET 37 HA MET 37 -12.426 13.009 7.508 223 HB2 MET 37 2HB MET 37 -10.396 13.230 6.194 224 HB3 MET 37 3HB MET 37 -10.190 14.026 7.748 225 HG2 MET 37 2HG MET 37 -9.308 11.362 8.047 226 HG3 MET 37 3HG MET 37 -8.610 11.987 6.555 227 HE1 MET 37 3HE MET 37 -6.007 13.728 7.017 228 HE2 MET 37 1HE MET 37 -5.548 12.480 8.176 229 HE3 MET 37 2HE MET 37 -6.540 12.063 6.778 230 H HIS 38 H HIS 38 -12.520 11.858 5.482 231 HA HIS 38 HA HIS 38 -11.896 8.993 5.667 232 HB2 HIS 38 2HB HIS 38 -14.050 8.356 4.852 233 HB3 HIS 38 3HB HIS 38 -14.318 9.446 6.209 234 HD1 HIS 38 HD1 HIS 38 -15.877 8.783 3.245 235 HD2 HIS 38 HD2 HIS 38 -14.337 12.310 4.810 236 HE1 HIS 38 HE1 HIS 38 -17.076 10.634 2.037 237 H ILE 39 H ILE 39 -12.078 7.908 3.496 238 HA ILE 39 HA ILE 39 -10.698 9.544 1.542 239 HB ILE 39 HB ILE 39 -11.441 6.626 1.338 240 HG12 ILE 39 2HG1 ILE 39 -8.913 7.920 2.381 241 HG13 ILE 39 3HG1 ILE 39 -10.074 6.992 3.325 242 HG21 ILE 39 1HG2 ILE 39 -9.320 8.215 -0.100 243 HG22 ILE 39 2HG2 ILE 39 -9.711 6.513 -0.345 244 HG23 ILE 39 3HG2 ILE 39 -10.881 7.759 -0.782 245 HD11 ILE 39 3HD1 ILE 39 -8.000 6.071 1.420 246 HD12 ILE 39 1HD1 ILE 39 -8.492 5.403 2.977 247 HD13 ILE 39 2HD1 ILE 39 -9.489 5.133 1.547 248 H VAL 40 H VAL 40 -11.618 10.483 -0.155 249 HA VAL 40 HA VAL 40 -14.354 9.675 -0.886 250 HB VAL 40 HB VAL 40 -12.968 12.320 -1.349 251 HG11 VAL 40 1HG1 VAL 40 -14.462 12.590 -2.980 252 HG12 VAL 40 2HG1 VAL 40 -15.332 11.123 -2.527 253 HG13 VAL 40 3HG1 VAL 40 -15.692 12.649 -1.718 254 HG21 VAL 40 3HG2 VAL 40 -14.852 13.089 0.215 255 HG22 VAL 40 1HG2 VAL 40 -14.993 11.388 0.658 256 HG23 VAL 40 2HG2 VAL 40 -13.478 12.247 0.932 257 H ASP 41 H ASP 41 -14.745 8.887 -2.858 258 HA ASP 41 HA ASP 41 -14.439 8.174 -4.996 259 HB2 ASP 41 2HB ASP 41 -13.747 10.819 -5.031 260 HB3 ASP 41 3HB ASP 41 -12.289 10.066 -5.670 261 H GLN 42 H GLN 42 -12.502 7.516 -2.678 262 HA GLN 42 HA GLN 42 -10.602 6.301 -2.327 263 HB2 GLN 42 2HB GLN 42 -11.285 5.125 -5.025 264 HB3 GLN 42 3HB GLN 42 -10.349 4.362 -3.746 265 HG2 GLN 42 2HG GLN 42 -12.385 4.445 -2.309 266 HG3 GLN 42 3HG GLN 42 -13.284 5.012 -3.716 267 HE21 GLN 42 1HE2 GLN 42 -14.542 3.051 -3.233 268 HE22 GLN 42 2HE2 GLN 42 -14.020 1.554 -3.920 269 H LYS 43 H LYS 43 -10.234 8.853 -3.650 270 HA LYS 43 HA LYS 43 -7.586 8.343 -4.765 271 HB2 LYS 43 2HB LYS 43 -9.876 9.518 -6.240 272 HB3 LYS 43 3HB LYS 43 -8.322 10.316 -6.441 273 HG2 LYS 43 2HG LYS 43 -7.341 8.422 -7.395 274 HG3 LYS 43 3HG LYS 43 -8.620 7.356 -6.809 275 HD2 LYS 43 2HD LYS 43 -10.104 8.018 -8.448 276 HD3 LYS 43 3HD LYS 43 -9.305 9.574 -8.689 277 HE2 LYS 43 2HE LYS 43 -7.339 8.236 -9.602 278 HE3 LYS 43 3HE LYS 43 -8.438 6.858 -9.645 279 HZ1 LYS 43 3HZ LYS 43 -9.946 8.356 -10.994 280 HZ2 LYS 43 1HZ LYS 43 -8.544 7.804 -11.764 281 HZ3 LYS 43 2HZ LYS 43 -8.615 9.386 -11.170 282 H SER 44 H SER 44 -9.968 10.711 -3.661 283 HA SER 44 HA SER 44 -7.743 12.328 -2.600 284 HB2 SER 44 2HB SER 44 -9.804 13.103 -4.428 285 HB3 SER 44 3HB SER 44 -10.038 13.976 -2.914 286 HG SER 44 HG SER 44 -8.616 15.189 -4.043 287 H ILE 45 H ILE 45 -7.760 12.616 -0.471 288 HA ILE 45 HA ILE 45 -9.935 11.564 1.102 289 HB ILE 45 HB ILE 45 -7.500 13.027 2.115 290 HG12 ILE 45 2HG1 ILE 45 -7.838 10.069 1.573 291 HG13 ILE 45 3HG1 ILE 45 -6.821 11.169 0.650 292 HG21 ILE 45 1HG2 ILE 45 -8.615 10.833 3.680 293 HG22 ILE 45 2HG2 ILE 45 -8.160 12.463 4.175 294 HG23 ILE 45 3HG2 ILE 45 -9.739 12.171 3.445 295 HD11 ILE 45 3HD1 ILE 45 -6.173 9.680 2.963 296 HD12 ILE 45 1HD1 ILE 45 -5.148 10.772 2.031 297 HD13 ILE 45 2HD1 ILE 45 -6.100 11.392 3.380 298 H ALA 46 H ALA 46 -11.513 12.667 2.087 299 HA ALA 46 HA ALA 46 -11.302 15.601 2.213 300 HB1 ALA 46 1HB ALA 46 -13.265 15.948 1.159 301 HB2 ALA 46 2HB ALA 46 -12.916 14.375 0.440 302 HB3 ALA 46 3HB ALA 46 -14.003 14.490 1.823 303 H VAL 47 H VAL 47 -12.748 16.592 3.818 304 HA VAL 47 HA VAL 47 -12.638 15.152 6.297 305 HB VAL 47 HB VAL 47 -12.200 17.578 6.187 306 HG11 VAL 47 1HG1 VAL 47 -14.995 18.385 6.120 307 HG12 VAL 47 2HG1 VAL 47 -13.600 19.059 5.274 308 HG13 VAL 47 3HG1 VAL 47 -14.452 17.667 4.603 309 HG21 VAL 47 3HG2 VAL 47 -13.095 16.360 8.244 310 HG22 VAL 47 1HG2 VAL 47 -13.232 18.118 8.225 311 HG23 VAL 47 2HG2 VAL 47 -14.643 17.119 7.875 312 H LYS 48 H LYS 48 -14.270 14.262 7.460 313 HA LYS 48 HA LYS 48 -16.884 14.085 6.124 314 HB2 LYS 48 2HB LYS 48 -15.296 12.050 6.903 315 HB3 LYS 48 3HB LYS 48 -16.237 12.265 8.373 316 HG2 LYS 48 2HG LYS 48 -18.251 11.759 7.295 317 HG3 LYS 48 3HG LYS 48 -17.549 11.988 5.691 318 HD2 LYS 48 2HD LYS 48 -17.039 9.827 5.596 319 HD3 LYS 48 3HD LYS 48 -16.053 9.983 7.052 320 HE2 LYS 48 2HE LYS 48 -17.915 9.496 8.455 321 HE3 LYS 48 3HE LYS 48 -19.042 9.615 7.105 322 HZ1 LYS 48 3HZ LYS 48 -16.899 7.645 6.886 323 HZ2 LYS 48 1HZ LYS 48 -18.503 7.564 6.353 324 HZ3 LYS 48 2HZ LYS 48 -18.140 7.309 7.985 325 H THR 49 H THR 49 -15.429 14.364 9.360 326 HA THR 49 HA THR 49 -17.417 16.269 10.172 327 HB THR 49 HB THR 49 -17.424 13.530 11.454 328 HG1 THR 49 HG1 THR 49 -19.803 14.007 10.871 329 HG21 THR 49 3HG2 THR 49 -17.624 15.086 13.232 330 HG22 THR 49 1HG2 THR 49 -19.264 14.552 12.865 331 HG23 THR 49 2HG2 THR 49 -18.700 16.125 12.298 332 H ILE 50 H ILE 50 -16.043 17.701 11.023 333 HA ILE 50 HA ILE 50 -13.827 16.770 12.690 334 HB ILE 50 HB ILE 50 -13.370 18.421 10.890 335 HG12 ILE 50 2HG1 ILE 50 -12.903 19.555 13.654 336 HG13 ILE 50 3HG1 ILE 50 -11.979 18.222 12.970 337 HG21 ILE 50 1HG2 ILE 50 -14.383 20.717 12.351 338 HG22 ILE 50 2HG2 ILE 50 -14.522 20.313 10.640 339 HG23 ILE 50 3HG2 ILE 50 -15.670 19.645 11.800 340 HD11 ILE 50 3HD1 ILE 50 -11.801 21.096 12.467 341 HD12 ILE 50 1HD1 ILE 50 -10.577 19.835 12.322 342 HD13 ILE 50 2HD1 ILE 50 -11.739 20.090 11.020 343 H GLY 51 H GLY 51 -13.489 17.496 14.801 344 HA2 GLY 51 2HA GLY 51 -15.942 18.425 16.138 345 HA3 GLY 51 3HA GLY 51 -14.637 17.534 16.908 346 H GLU 52 H GLU 52 -15.105 19.417 18.450 347 HA GLU 52 HA GLU 52 -12.919 21.151 18.449 348 HB2 GLU 52 2HB GLU 52 -14.202 23.326 18.149 349 HB3 GLU 52 3HB GLU 52 -13.858 22.412 16.688 350 HG2 GLU 52 2HG GLU 52 -16.083 21.660 16.511 351 HG3 GLU 52 3HG GLU 52 -16.470 22.189 18.148 352 H ARG 53 H ARG 53 -13.633 19.672 20.428 353 HA ARG 53 HA ARG 53 -14.241 19.573 22.619 354 HB2 ARG 53 2HB ARG 53 -14.065 22.580 22.357 355 HB3 ARG 53 3HB ARG 53 -14.151 21.706 23.880 356 HG2 ARG 53 2HG ARG 53 -12.013 20.765 22.141 357 HG3 ARG 53 3HG ARG 53 -11.859 22.464 22.590 358 HD2 ARG 53 2HD ARG 53 -10.728 20.886 24.153 359 HD3 ARG 53 3HD ARG 53 -11.929 21.925 24.918 360 HE ARG 53 HE ARG 53 -12.978 19.381 24.107 361 HH11 ARG 53 1HH1 ARG 53 -11.287 21.098 26.619 362 HH12 ARG 53 2HH1 ARG 53 -11.767 20.002 27.872 363 HH21 ARG 53 1HH2 ARG 53 -13.617 17.930 25.747 364 HH22 ARG 53 2HH2 ARG 53 -13.092 18.200 27.375 365 H GLY 54 H GLY 54 -16.351 18.861 21.497 366 HA2 GLY 54 2HA GLY 54 -18.525 19.703 22.995 367 HA3 GLY 54 3HA GLY 54 -18.575 20.633 21.505 368 H ALA 55 H ALA 55 -17.367 18.388 19.981 369 HA ALA 55 HA ALA 55 -19.636 17.242 18.920 370 HB1 ALA 55 1HB ALA 55 -16.791 16.859 18.671 371 HB2 ALA 55 2HB ALA 55 -17.648 15.322 18.555 372 HB3 ALA 55 3HB ALA 55 -18.063 16.647 17.468 373 H ASN 56 H ASN 56 -21.123 16.047 19.906 374 HA ASN 56 HA ASN 56 -20.605 14.554 22.276 375 HB2 ASN 56 2HB ASN 56 -22.916 15.323 20.700 376 HB3 ASN 56 3HB ASN 56 -23.035 13.648 21.232 377 HD21 ASN 56 1HD2 ASN 56 -22.011 13.558 23.646 378 HD22 ASN 56 2HD2 ASN 56 -22.822 14.626 24.735 379 H PHE 57 H PHE 57 -21.262 12.210 22.452 380 HA PHE 57 HA PHE 57 -19.632 10.662 20.714 381 HB2 PHE 57 2HB PHE 57 -21.339 10.143 23.085 382 HB3 PHE 57 3HB PHE 57 -21.023 8.771 22.028 383 HD1 PHE 57 HD2 PHE 57 -19.290 11.488 23.882 384 HD2 PHE 57 HD1 PHE 57 -19.067 7.559 22.261 385 HE1 PHE 57 HE2 PHE 57 -17.098 11.174 24.954 386 HE2 PHE 57 HE1 PHE 57 -16.875 7.238 23.332 387 HZ PHE 57 HZ PHE 57 -15.887 9.047 24.680 388 H ASP 58 H ASP 58 -23.061 11.322 20.904 389 HA ASP 58 HA ASP 58 -23.995 9.255 19.247 390 HB2 ASP 58 2HB ASP 58 -25.045 11.939 20.052 391 HB3 ASP 58 3HB ASP 58 -25.859 11.049 18.768 392 H GLN 59 H GLN 59 -23.017 12.583 18.478 393 HA GLN 59 HA GLN 59 -23.495 12.335 15.688 394 HB2 GLN 59 2HB GLN 59 -22.269 14.449 15.495 395 HB3 GLN 59 3HB GLN 59 -23.454 14.514 16.793 396 HG2 GLN 59 2HG GLN 59 -21.761 14.280 18.452 397 HG3 GLN 59 3HG GLN 59 -20.536 13.939 17.230 398 HE21 GLN 59 1HE2 GLN 59 -22.601 16.401 18.607 399 HE22 GLN 59 2HE2 GLN 59 -21.702 17.756 18.024 400 H PHE 60 H PHE 60 -20.769 11.668 17.763 401 HA PHE 60 HA PHE 60 -18.772 11.535 15.772 402 HB2 PHE 60 2HB PHE 60 -18.020 11.690 18.008 403 HB3 PHE 60 3HB PHE 60 -19.018 10.334 18.523 404 HD1 PHE 60 HD1 PHE 60 -16.722 10.597 15.613 405 HD2 PHE 60 HD2 PHE 60 -17.517 8.792 19.385 406 HE1 PHE 60 HE1 PHE 60 -14.816 9.076 15.284 407 HE2 PHE 60 HE2 PHE 60 -15.612 7.270 19.062 408 HZ PHE 60 HZ PHE 60 -14.258 7.411 17.010 409 H ILE 61 H ILE 61 -20.704 8.976 17.319 410 HA ILE 61 HA ILE 61 -19.675 6.893 15.682 411 HB ILE 61 HB ILE 61 -20.667 6.421 17.865 412 HG12 ILE 61 2HG1 ILE 61 -22.622 4.872 16.514 413 HG13 ILE 61 3HG1 ILE 61 -21.260 5.059 15.414 414 HG21 ILE 61 1HG2 ILE 61 -22.447 8.188 17.651 415 HG22 ILE 61 2HG2 ILE 61 -23.348 7.048 16.654 416 HG23 ILE 61 3HG2 ILE 61 -22.981 6.652 18.332 417 HD11 ILE 61 3HD1 ILE 61 -21.129 3.999 18.227 418 HD12 ILE 61 1HD1 ILE 61 -21.045 3.045 16.746 419 HD13 ILE 61 2HD1 ILE 61 -19.760 4.190 17.132 420 H GLU 62 H GLU 62 -22.482 9.006 15.475 421 HA GLU 62 HA GLU 62 -23.816 7.658 13.392 422 HB2 GLU 62 2HB GLU 62 -24.954 9.327 14.733 423 HB3 GLU 62 3HB GLU 62 -23.849 10.575 14.177 424 HG2 GLU 62 2HG GLU 62 -25.170 9.218 11.982 425 HG3 GLU 62 3HG GLU 62 -26.310 9.964 13.102 426 H ALA 63 H ALA 63 -21.343 10.176 13.389 427 HA ALA 63 HA ALA 63 -21.386 10.572 10.562 428 HB1 ALA 63 1HB ALA 63 -20.594 12.268 12.197 429 HB2 ALA 63 2HB ALA 63 -19.175 11.262 12.490 430 HB3 ALA 63 3HB ALA 63 -19.451 11.952 10.891 431 H ILE 64 H ILE 64 -19.095 8.932 12.748 432 HA ILE 64 HA ILE 64 -17.520 7.871 10.623 433 HB ILE 64 HB ILE 64 -16.370 6.582 12.309 434 HG12 ILE 64 2HG1 ILE 64 -17.410 7.141 14.758 435 HG13 ILE 64 3HG1 ILE 64 -18.882 7.019 13.801 436 HG21 ILE 64 1HG2 ILE 64 -15.318 8.373 13.144 437 HG22 ILE 64 2HG2 ILE 64 -16.498 9.310 12.229 438 HG23 ILE 64 3HG2 ILE 64 -16.774 8.974 13.938 439 HD11 ILE 64 3HD1 ILE 64 -17.159 4.840 13.154 440 HD12 ILE 64 1HD1 ILE 64 -17.351 4.942 14.904 441 HD13 ILE 64 2HD1 ILE 64 -18.772 4.816 13.867 442 H ASP 65 H ASP 65 -17.637 5.962 9.580 443 HA ASP 65 HA ASP 65 -19.773 4.100 10.390 444 HB2 ASP 65 2HB ASP 65 -19.924 5.534 8.150 445 HB3 ASP 65 3HB ASP 65 -18.913 4.226 7.540 446 H LYS 66 H LYS 66 -19.001 2.217 11.047 447 HA LYS 66 HA LYS 66 -16.300 1.438 10.714 448 HB2 LYS 66 2HB LYS 66 -17.910 0.773 12.583 449 HB3 LYS 66 3HB LYS 66 -18.565 -0.408 11.457 450 HG2 LYS 66 2HG LYS 66 -15.875 -0.894 11.317 451 HG3 LYS 66 3HG LYS 66 -16.103 -0.465 13.014 452 HD2 LYS 66 2HD LYS 66 -18.211 -2.120 12.622 453 HD3 LYS 66 3HD LYS 66 -17.031 -2.821 11.512 454 HE2 LYS 66 2HE LYS 66 -15.646 -3.480 13.186 455 HE3 LYS 66 3HE LYS 66 -16.063 -2.111 14.216 456 HZ1 LYS 66 3HZ LYS 66 -18.131 -3.170 14.780 457 HZ2 LYS 66 1HZ LYS 66 -16.861 -4.242 15.095 458 HZ3 LYS 66 2HZ LYS 66 -17.822 -4.451 13.719 459 H ASN 67 H ASN 67 -15.870 1.407 8.490 460 HA ASN 67 HA ASN 67 -16.116 -1.064 7.213 461 HB2 ASN 67 2HB ASN 67 -18.357 0.762 6.784 462 HB3 ASN 67 3HB ASN 67 -17.587 0.264 5.280 463 HD21 ASN 67 1HD2 ASN 67 -20.215 -0.379 6.520 464 HD22 ASN 67 2HD2 ASN 67 -20.288 -2.105 6.537 465 H VAL 68 H VAL 68 -16.500 2.166 5.778 466 HA VAL 68 HA VAL 68 -14.364 1.799 3.958 467 HB VAL 68 HB VAL 68 -14.592 4.276 3.567 468 HG11 VAL 68 1HG1 VAL 68 -17.301 3.017 3.470 469 HG12 VAL 68 2HG1 VAL 68 -16.483 4.014 2.265 470 HG13 VAL 68 3HG1 VAL 68 -15.979 2.343 2.517 471 HG21 VAL 68 3HG2 VAL 68 -15.707 5.592 4.977 472 HG22 VAL 68 1HG2 VAL 68 -17.109 4.523 4.961 473 HG23 VAL 68 2HG2 VAL 68 -15.783 4.222 6.085 474 HA PRO 69 HA PRO 69 -10.809 2.973 6.253 475 HB2 PRO 69 2HB PRO 69 -9.334 4.212 4.340 476 HB3 PRO 69 3HB PRO 69 -9.580 2.462 4.381 477 HG2 PRO 69 2HG PRO 69 -10.980 4.534 2.735 478 HG3 PRO 69 3HG PRO 69 -10.385 2.936 2.251 479 HD2 PRO 69 2HD PRO 69 -12.991 3.411 2.811 480 HD3 PRO 69 3HD PRO 69 -12.215 1.847 3.134 481 H CYS 70 H CYS 70 -10.908 4.512 7.765 482 HA CYS 70 HA CYS 70 -10.856 7.313 6.914 483 HB2 CYS 70 2HB CYS 70 -12.645 6.335 9.145 484 HB3 CYS 70 3HB CYS 70 -12.537 7.972 8.508 485 HG CYS 70 HG CYS 70 -13.741 5.275 6.776 486 H TYR 71 H TYR 71 -9.962 8.760 8.477 487 HA TYR 71 HA TYR 71 -8.483 7.441 10.653 488 HB2 TYR 71 2HB TYR 71 -7.375 9.630 8.886 489 HB3 TYR 71 3HB TYR 71 -6.524 8.782 10.172 490 HD1 TYR 71 HD1 TYR 71 -8.011 8.384 6.806 491 HD2 TYR 71 HD2 TYR 71 -5.462 6.702 9.768 492 HE1 TYR 71 HE1 TYR 71 -7.226 6.718 5.176 493 HE2 TYR 71 HE2 TYR 71 -4.670 5.031 8.147 494 HH TYR 71 HH TYR 71 -6.121 4.725 4.967 495 H ALA 72 H ALA 72 -8.663 8.395 12.579 496 HA ALA 72 HA ALA 72 -9.707 11.151 12.674 497 HB1 ALA 72 1HB ALA 72 -11.439 9.573 13.328 498 HB2 ALA 72 2HB ALA 72 -10.368 8.881 14.547 499 HB3 ALA 72 3HB ALA 72 -10.929 10.545 14.709 500 H ALA 73 H ALA 73 -8.521 12.566 13.785 501 HA ALA 73 HA ALA 73 -6.332 11.528 15.453 502 HB1 ALA 73 1HB ALA 73 -6.600 13.868 13.661 503 HB2 ALA 73 2HB ALA 73 -5.623 14.077 15.114 504 HB3 ALA 73 3HB ALA 73 -5.217 12.813 13.954 505 H PHE 74 H PHE 74 -6.317 11.906 17.576 506 HA PHE 74 HA PHE 74 -8.135 13.966 18.639 507 HB2 PHE 74 2HB PHE 74 -7.751 11.119 19.463 508 HB3 PHE 74 3HB PHE 74 -8.139 12.310 20.700 509 HD1 PHE 74 HD1 PHE 74 -9.298 11.516 17.238 510 HD2 PHE 74 HD2 PHE 74 -10.351 12.408 21.265 511 HE1 PHE 74 HE1 PHE 74 -11.680 11.343 16.650 512 HE2 PHE 74 HE2 PHE 74 -12.735 12.235 20.683 513 HZ PHE 74 HZ PHE 74 -13.403 11.701 18.374 514 H ASP 75 H ASP 75 -7.227 15.426 19.936 515 HA ASP 75 HA ASP 75 -4.416 15.124 20.624 516 HB2 ASP 75 2HB ASP 75 -4.339 17.429 20.873 517 HB3 ASP 75 3HB ASP 75 -5.593 17.248 19.649 518 H PHE 76 H PHE 76 -3.636 14.791 22.623 519 HA PHE 76 HA PHE 76 -5.436 15.057 24.919 520 HB2 PHE 76 2HB PHE 76 -5.023 12.605 23.833 521 HB3 PHE 76 3HB PHE 76 -3.686 12.676 24.976 522 HD1 PHE 76 HD2 PHE 76 -7.361 12.902 24.670 523 HD2 PHE 76 HD1 PHE 76 -4.039 12.396 27.282 524 HE1 PHE 76 HE2 PHE 76 -8.893 12.284 26.493 525 HE2 PHE 76 HE1 PHE 76 -5.566 11.776 29.109 526 HZ PHE 76 HZ PHE 76 -7.997 11.721 28.716 527 H GLU 77 H GLU 77 -4.271 14.992 27.002 528 HA GLU 77 HA GLU 77 -1.561 16.104 26.702 529 HB2 GLU 77 2HB GLU 77 -2.077 17.107 29.012 530 HB3 GLU 77 3HB GLU 77 -2.873 17.813 27.613 531 HG2 GLU 77 2HG GLU 77 -4.899 16.575 28.113 532 HG3 GLU 77 3HG GLU 77 -4.106 15.805 29.485 533 H TYR 78 H TYR 78 0.068 15.464 28.122 534 HA TYR 78 HA TYR 78 -0.494 13.373 30.064 535 HB2 TYR 78 2HB TYR 78 0.050 12.455 27.638 536 HB3 TYR 78 3HB TYR 78 1.707 12.782 28.135 537 HD1 TYR 78 HD1 TYR 78 -1.354 10.901 29.059 538 HD2 TYR 78 HD2 TYR 78 2.851 11.303 29.566 539 HE1 TYR 78 HE1 TYR 78 -1.300 8.757 30.264 540 HE2 TYR 78 HE2 TYR 78 2.917 9.160 30.770 541 HH TYR 78 HH TYR 78 0.466 7.744 32.138 542 H THR 79 H THR 79 1.534 12.761 31.270 543 HA THR 79 HA THR 79 3.306 15.106 31.502 544 HB THR 79 HB THR 79 1.897 14.974 33.462 545 HG1 THR 79 HG1 THR 79 3.711 14.377 35.026 546 HG21 THR 79 3HG2 THR 79 1.112 12.805 33.648 547 HG22 THR 79 1HG2 THR 79 2.294 12.868 34.955 548 HG23 THR 79 2HG2 THR 79 2.711 12.096 33.425 549 H THR 80 H THR 80 4.101 13.275 29.722 550 HA THR 80 HA THR 80 5.718 11.211 30.892 551 HB THR 80 HB THR 80 4.779 10.876 28.670 552 HG1 THR 80 HG1 THR 80 6.545 9.696 28.586 553 HG21 THR 80 3HG2 THR 80 5.059 12.267 26.886 554 HG22 THR 80 1HG2 THR 80 6.656 12.799 27.409 555 HG23 THR 80 2HG2 THR 80 5.212 13.461 28.174 556 H ASN 81 H ASN 81 6.306 14.398 29.469 557 HA ASN 81 HA ASN 81 9.157 14.213 29.799 558 HB2 ASN 81 2HB ASN 81 8.215 15.549 27.980 559 HB3 ASN 81 3HB ASN 81 7.392 16.583 29.144 560 HD21 ASN 81 1HD2 ASN 81 10.585 15.481 28.128 561 HD22 ASN 81 2HD2 ASN 81 11.419 16.931 28.559 562 H ASP 82 H ASP 82 6.465 15.651 31.543 563 HA ASP 82 HA ASP 82 7.719 15.602 34.028 564 HB2 ASP 82 2HB ASP 82 9.229 17.302 33.327 565 HB3 ASP 82 3HB ASP 82 7.939 18.238 32.577 566 H GLY 83 H GLY 83 5.486 17.465 32.000 567 HA2 GLY 83 2HA GLY 83 3.236 16.774 33.575 568 HA3 GLY 83 3HA GLY 83 3.769 18.398 33.982 569 HA PRO 84 HA PRO 84 1.528 20.052 30.604 570 HB2 PRO 84 2HB PRO 84 3.143 22.068 29.768 571 HB3 PRO 84 3HB PRO 84 2.230 22.132 31.280 572 HG2 PRO 84 2HG PRO 84 5.110 21.449 30.833 573 HG3 PRO 84 3HG PRO 84 4.384 22.466 32.091 574 HD2 PRO 84 2HD PRO 84 5.136 19.904 32.542 575 HD3 PRO 84 3HD PRO 84 3.755 20.653 33.369 576 H ARG 85 H ARG 85 2.135 17.887 29.501 577 HA ARG 85 HA ARG 85 3.800 18.441 27.134 578 HB2 ARG 85 2HB ARG 85 4.267 16.474 28.878 579 HB3 ARG 85 3HB ARG 85 3.090 15.646 27.866 580 HG2 ARG 85 2HG ARG 85 5.316 15.142 27.107 581 HG3 ARG 85 3HG ARG 85 4.487 16.121 25.895 582 HD2 ARG 85 2HD ARG 85 6.027 17.618 27.912 583 HD3 ARG 85 3HD ARG 85 6.980 16.625 26.810 584 HE ARG 85 HE ARG 85 5.266 17.994 25.187 585 HH11 ARG 85 1HH1 ARG 85 7.612 18.884 27.600 586 HH12 ARG 85 2HH1 ARG 85 7.998 20.399 26.853 587 HH21 ARG 85 1HH2 ARG 85 5.766 19.986 24.194 588 HH22 ARG 85 2HH2 ARG 85 6.947 21.025 24.916 589 H ASP 86 H ASP 86 3.050 17.781 25.096 590 HA ASP 86 HA ASP 86 0.159 17.213 24.980 591 HB2 ASP 86 2HB ASP 86 1.770 18.799 22.970 592 HB3 ASP 86 3HB ASP 86 0.029 18.534 22.949 593 H LYS 87 H LYS 87 -0.504 15.544 23.753 594 HA LYS 87 HA LYS 87 1.320 14.365 21.803 595 HB2 LYS 87 2HB LYS 87 0.631 13.183 24.389 596 HB3 LYS 87 3HB LYS 87 0.290 12.119 23.032 597 HG2 LYS 87 2HG LYS 87 2.944 13.479 23.353 598 HG3 LYS 87 3HG LYS 87 2.578 11.933 24.122 599 HD2 LYS 87 2HD LYS 87 3.215 10.957 22.221 600 HD3 LYS 87 3HD LYS 87 1.750 11.614 21.487 601 HE2 LYS 87 2HE LYS 87 3.419 13.758 21.375 602 HE3 LYS 87 3HE LYS 87 4.556 12.426 21.174 603 HZ1 LYS 87 3HZ LYS 87 2.685 11.659 19.488 604 HZ2 LYS 87 1HZ LYS 87 3.942 12.694 19.029 605 HZ3 LYS 87 2HZ LYS 87 2.420 13.328 19.406 606 H LEU 88 H LEU 88 0.275 13.784 20.009 607 HA LEU 88 HA LEU 88 -2.660 13.605 20.121 608 HB2 LEU 88 2HB LEU 88 -0.810 14.902 18.319 609 HB3 LEU 88 3HB LEU 88 -1.889 13.811 17.452 610 HG LEU 88 HG LEU 88 -3.771 15.052 18.735 611 HD11 LEU 88 1HD1 LEU 88 -2.550 16.330 20.289 612 HD12 LEU 88 2HD1 LEU 88 -3.110 17.475 19.071 613 HD13 LEU 88 3HD1 LEU 88 -1.437 16.918 19.053 614 HD21 LEU 88 3HD2 LEU 88 -3.893 16.726 16.958 615 HD22 LEU 88 1HD2 LEU 88 -3.439 15.146 16.320 616 HD23 LEU 88 2HD2 LEU 88 -2.214 16.398 16.528 617 H ILE 89 H ILE 89 -3.709 11.840 19.346 618 HA ILE 89 HA ILE 89 -2.023 9.621 18.387 619 HB ILE 89 HB ILE 89 -3.954 8.166 19.223 620 HG12 ILE 89 2HG1 ILE 89 -5.335 10.397 19.557 621 HG13 ILE 89 3HG1 ILE 89 -5.561 9.023 20.634 622 HG21 ILE 89 1HG2 ILE 89 -2.010 9.636 20.954 623 HG22 ILE 89 2HG2 ILE 89 -3.120 8.462 21.660 624 HG23 ILE 89 3HG2 ILE 89 -1.980 7.958 20.412 625 HD11 ILE 89 3HD1 ILE 89 -5.262 11.440 21.576 626 HD12 ILE 89 1HD1 ILE 89 -4.529 10.058 22.389 627 HD13 ILE 89 2HD1 ILE 89 -3.549 11.091 21.348 628 H LEU 90 H LEU 90 -2.804 8.300 16.719 629 HA LEU 90 HA LEU 90 -5.080 9.409 15.212 630 HB2 LEU 90 2HB LEU 90 -3.091 9.984 14.033 631 HB3 LEU 90 3HB LEU 90 -2.450 8.351 14.201 632 HG LEU 90 HG LEU 90 -4.414 7.615 12.743 633 HD11 LEU 90 1HD1 LEU 90 -5.910 9.346 12.642 634 HD12 LEU 90 2HD1 LEU 90 -4.999 9.618 11.157 635 HD13 LEU 90 3HD1 LEU 90 -4.650 10.580 12.594 636 HD21 LEU 90 3HD2 LEU 90 -2.284 7.516 11.785 637 HD22 LEU 90 1HD2 LEU 90 -2.106 9.271 11.778 638 HD23 LEU 90 2HD2 LEU 90 -3.222 8.494 10.655 639 H ILE 91 H ILE 91 -6.705 8.024 15.071 640 HA ILE 91 HA ILE 91 -6.102 5.139 15.080 641 HB ILE 91 HB ILE 91 -8.597 6.496 16.108 642 HG12 ILE 91 2HG1 ILE 91 -7.489 5.137 18.211 643 HG13 ILE 91 3HG1 ILE 91 -6.056 5.717 17.369 644 HG21 ILE 91 1HG2 ILE 91 -9.077 4.314 15.165 645 HG22 ILE 91 2HG2 ILE 91 -7.779 3.594 16.117 646 HG23 ILE 91 3HG2 ILE 91 -9.201 4.256 16.923 647 HD11 ILE 91 3HD1 ILE 91 -6.345 7.572 18.563 648 HD12 ILE 91 1HD1 ILE 91 -7.634 7.942 17.417 649 HD13 ILE 91 2HD1 ILE 91 -8.017 7.170 18.957 650 H SER 92 H SER 92 -6.504 4.165 13.218 651 HA SER 92 HA SER 92 -8.392 5.399 11.343 652 HB2 SER 92 2HB SER 92 -6.021 4.899 10.622 653 HB3 SER 92 3HB SER 92 -6.415 3.186 10.764 654 HG SER 92 HG SER 92 -7.608 3.300 9.009 655 H TRP 93 H TRP 93 -10.169 4.352 10.589 656 HA TRP 93 HA TRP 93 -10.949 1.933 12.023 657 HB2 TRP 93 2HB TRP 93 -12.614 3.646 10.169 658 HB3 TRP 93 3HB TRP 93 -13.200 2.407 11.274 659 HD1 TRP 93 HD1 TRP 93 -13.082 5.985 11.061 660 HE1 TRP 93 HE1 TRP 93 -13.179 7.102 13.378 661 HE3 TRP 93 HE3 TRP 93 -11.981 1.925 13.966 662 HZ2 TRP 93 HZ2 TRP 93 -12.834 6.360 16.079 663 HZ3 TRP 93 HZ3 TRP 93 -11.884 2.214 16.408 664 HH2 TRP 93 HH2 TRP 93 -12.301 4.386 17.441 665 H ASN 94 H ASN 94 -10.541 0.030 11.129 666 HA ASN 94 HA ASN 94 -11.331 -0.572 8.453 667 HB2 ASN 94 2HB ASN 94 -9.291 0.391 7.748 668 HB3 ASN 94 3HB ASN 94 -8.400 -0.308 9.097 669 HD21 ASN 94 1HD2 ASN 94 -10.695 -1.812 6.872 670 HD22 ASN 94 2HD2 ASN 94 -9.587 -2.975 6.236 671 HA PRO 95 HA PRO 95 -11.473 -4.118 11.365 672 HB2 PRO 95 2HB PRO 95 -13.834 -5.066 10.419 673 HB3 PRO 95 3HB PRO 95 -13.730 -3.791 11.639 674 HG2 PRO 95 2HG PRO 95 -14.187 -3.558 8.690 675 HG3 PRO 95 3HG PRO 95 -14.989 -2.699 10.017 676 HD2 PRO 95 2HD PRO 95 -13.015 -1.580 8.541 677 HD3 PRO 95 3HD PRO 95 -13.260 -1.194 10.256 678 H ASP 96 H ASP 96 -10.540 -6.016 10.923 679 HA ASP 96 HA ASP 96 -9.633 -6.722 8.380 680 HB2 ASP 96 2HB ASP 96 -9.958 -8.311 10.921 681 HB3 ASP 96 3HB ASP 96 -9.277 -9.019 9.459 682 H SER 97 H SER 97 -12.680 -7.248 9.894 683 HA SER 97 HA SER 97 -13.439 -9.246 7.884 684 HB2 SER 97 2HB SER 97 -14.140 -8.823 10.641 685 HB3 SER 97 3HB SER 97 -15.597 -8.770 9.649 686 HG SER 97 HG SER 97 -14.965 -10.904 10.379 687 H GLY 98 H GLY 98 -13.190 -6.141 7.744 688 HA2 GLY 98 2HA GLY 98 -15.876 -5.301 7.120 689 HA3 GLY 98 3HA GLY 98 -14.408 -4.362 6.895 690 H ALA 99 H ALA 99 -13.752 -4.028 4.875 691 HA ALA 99 HA ALA 99 -14.715 -5.863 2.779 692 HB1 ALA 99 1HB ALA 99 -14.943 -2.935 2.989 693 HB2 ALA 99 2HB ALA 99 -14.448 -3.554 1.412 694 HB3 ALA 99 3HB ALA 99 -15.960 -4.098 2.138 695 HA PRO 100 HA PRO 100 -10.587 -6.248 1.342 696 HB2 PRO 100 2HB PRO 100 -10.922 -6.338 -1.351 697 HB3 PRO 100 3HB PRO 100 -11.389 -7.664 -0.280 698 HG2 PRO 100 2HG PRO 100 -13.091 -5.521 -1.494 699 HG3 PRO 100 3HG PRO 100 -13.424 -7.255 -1.330 700 HD2 PRO 100 2HD PRO 100 -14.472 -5.405 0.347 701 HD3 PRO 100 3HD PRO 100 -14.066 -7.051 0.874 702 H ARG 101 H ARG 101 -12.428 -3.876 -0.583 703 HA ARG 101 HA ARG 101 -10.229 -2.444 -1.554 704 HB2 ARG 101 2HB ARG 101 -13.120 -2.086 -1.425 705 HB3 ARG 101 3HB ARG 101 -12.249 -0.563 -1.312 706 HG2 ARG 101 2HG ARG 101 -12.462 -0.704 -3.566 707 HG3 ARG 101 3HG ARG 101 -10.938 -1.572 -3.372 708 HD2 ARG 101 2HD ARG 101 -12.072 -3.690 -3.470 709 HD3 ARG 101 3HD ARG 101 -13.645 -2.893 -3.474 710 HE ARG 101 HE ARG 101 -12.350 -1.892 -5.664 711 HH11 ARG 101 1HH1 ARG 101 -13.194 -5.071 -4.524 712 HH12 ARG 101 2HH1 ARG 101 -13.347 -5.742 -6.114 713 HH21 ARG 101 1HH2 ARG 101 -12.548 -2.764 -7.762 714 HH22 ARG 101 2HH2 ARG 101 -12.979 -4.430 -7.955 715 H THR 102 H THR 102 -12.157 -2.012 1.382 716 HA THR 102 HA THR 102 -10.899 0.369 2.242 717 HB THR 102 HB THR 102 -11.983 0.060 4.334 718 HG1 THR 102 HG1 THR 102 -12.081 -1.865 5.191 719 HG21 THR 102 3HG2 THR 102 -14.273 -0.397 3.703 720 HG22 THR 102 1HG2 THR 102 -13.739 -1.257 2.260 721 HG23 THR 102 2HG2 THR 102 -13.475 0.481 2.399 722 H LYS 103 H LYS 103 -10.236 -3.046 2.828 723 HA LYS 103 HA LYS 103 -8.281 -2.716 4.824 724 HB2 LYS 103 2HB LYS 103 -9.214 -4.882 4.518 725 HB3 LYS 103 3HB LYS 103 -8.781 -4.906 2.813 726 HG2 LYS 103 2HG LYS 103 -7.344 -6.355 4.174 727 HG3 LYS 103 3HG LYS 103 -6.438 -5.072 3.368 728 HD2 LYS 103 2HD LYS 103 -6.253 -3.823 5.384 729 HD3 LYS 103 3HD LYS 103 -7.414 -4.866 6.210 730 HE2 LYS 103 2HE LYS 103 -5.882 -6.495 6.589 731 HE3 LYS 103 3HE LYS 103 -5.020 -6.185 5.083 732 HZ1 LYS 103 3HZ LYS 103 -3.622 -5.563 6.888 733 HZ2 LYS 103 1HZ LYS 103 -4.837 -4.627 7.602 734 HZ3 LYS 103 2HZ LYS 103 -4.139 -4.137 6.141 735 H MET 104 H MET 104 -7.972 -3.065 1.298 736 HA MET 104 HA MET 104 -5.137 -2.787 1.301 737 HB2 MET 104 2HB MET 104 -7.033 -3.576 -0.544 738 HB3 MET 104 3HB MET 104 -6.478 -2.036 -1.185 739 HG2 MET 104 2HG MET 104 -4.449 -4.020 -0.307 740 HG3 MET 104 3HG MET 104 -5.305 -4.297 -1.821 741 HE1 MET 104 3HE MET 104 -1.670 -3.196 -2.306 742 HE2 MET 104 1HE MET 104 -2.840 -4.514 -2.231 743 HE3 MET 104 2HE MET 104 -2.718 -3.526 -3.687 744 H LEU 105 H LEU 105 -7.832 -0.573 0.695 745 HA LEU 105 HA LEU 105 -6.413 1.650 -0.168 746 HB2 LEU 105 2HB LEU 105 -8.997 1.260 1.264 747 HB3 LEU 105 3HB LEU 105 -8.354 2.893 1.097 748 HG LEU 105 HG LEU 105 -8.802 1.089 -1.268 749 HD11 LEU 105 1HD1 LEU 105 -10.979 1.691 -1.456 750 HD12 LEU 105 2HD1 LEU 105 -10.741 3.234 -0.637 751 HD13 LEU 105 3HD1 LEU 105 -10.851 1.745 0.302 752 HD21 LEU 105 3HD2 LEU 105 -8.500 2.980 -2.564 753 HD22 LEU 105 1HD2 LEU 105 -7.319 3.217 -1.276 754 HD23 LEU 105 2HD2 LEU 105 -8.857 4.079 -1.231 755 H TYR 106 H TYR 106 -6.783 0.332 3.037 756 HA TYR 106 HA TYR 106 -6.052 2.548 4.572 757 HB2 TYR 106 2HB TYR 106 -6.930 0.634 5.688 758 HB3 TYR 106 3HB TYR 106 -5.680 -0.413 5.025 759 HD1 TYR 106 HD1 TYR 106 -6.027 2.622 7.178 760 HD2 TYR 106 HD2 TYR 106 -3.880 -0.961 6.368 761 HE1 TYR 106 HE1 TYR 106 -4.661 2.993 9.190 762 HE2 TYR 106 HE2 TYR 106 -2.509 -0.600 8.378 763 HH TYR 106 HH TYR 106 -1.823 1.194 9.840 764 H SER 107 H SER 107 -4.023 -0.024 3.190 765 HA SER 107 HA SER 107 -1.573 1.030 4.143 766 HB2 SER 107 2HB SER 107 -2.115 -1.350 3.250 767 HB3 SER 107 3HB SER 107 -1.779 -0.658 1.663 768 HG SER 107 HG SER 107 -0.041 -0.922 3.875 769 H SER 108 H SER 108 -3.176 1.212 0.975 770 HA SER 108 HA SER 108 -1.248 2.680 -0.381 771 HB2 SER 108 2HB SER 108 -4.257 2.674 -0.678 772 HB3 SER 108 3HB SER 108 -3.168 3.474 -1.811 773 HG SER 108 HG SER 108 -2.576 1.592 -2.588 774 H SER 109 H SER 109 -3.506 3.676 2.046 775 HA SER 109 HA SER 109 -3.017 6.507 1.510 776 HB2 SER 109 2HB SER 109 -4.882 5.105 3.434 777 HB3 SER 109 3HB SER 109 -4.698 6.857 3.350 778 HG SER 109 HG SER 109 -5.367 5.285 1.094 779 H ARG 110 H ARG 110 -2.126 3.971 3.696 780 HA ARG 110 HA ARG 110 -1.219 5.556 5.852 781 HB2 ARG 110 2HB ARG 110 -1.408 2.826 5.280 782 HB3 ARG 110 3HB ARG 110 0.311 3.120 5.511 783 HG2 ARG 110 2HG ARG 110 -1.889 3.785 7.457 784 HG3 ARG 110 3HG ARG 110 -0.726 2.464 7.594 785 HD2 ARG 110 2HD ARG 110 0.916 4.613 7.268 786 HD3 ARG 110 3HD ARG 110 -0.420 5.322 8.175 787 HE ARG 110 HE ARG 110 0.258 4.145 10.015 788 HH11 ARG 110 1HH1 ARG 110 1.745 2.775 7.181 789 HH12 ARG 110 2HH1 ARG 110 2.770 1.704 8.077 790 HH21 ARG 110 1HH2 ARG 110 1.602 2.739 11.206 791 HH22 ARG 110 2HH2 ARG 110 2.687 1.683 10.366 792 H ASP 111 H ASP 111 0.347 4.361 2.926 793 HA ASP 111 HA ASP 111 2.979 5.114 3.571 794 HB2 ASP 111 2HB ASP 111 1.834 3.771 1.504 795 HB3 ASP 111 3HB ASP 111 2.203 5.309 0.729 796 H ALA 112 H ALA 112 0.383 6.850 1.898 797 HA ALA 112 HA ALA 112 1.999 9.193 1.472 798 HB1 ALA 112 1HB ALA 112 -0.235 10.190 0.780 799 HB2 ALA 112 2HB ALA 112 0.355 8.823 -0.166 800 HB3 ALA 112 3HB ALA 112 -0.910 8.581 1.038 801 H LEU 113 H LEU 113 -0.056 7.992 3.967 802 HA LEU 113 HA LEU 113 -0.511 10.578 5.179 803 HB2 LEU 113 2HB LEU 113 -1.232 7.758 5.845 804 HB3 LEU 113 3HB LEU 113 -1.334 8.999 7.092 805 HG LEU 113 HG LEU 113 -2.833 9.005 4.472 806 HD11 LEU 113 1HD1 LEU 113 -3.745 7.317 5.879 807 HD12 LEU 113 2HD1 LEU 113 -4.808 8.719 5.984 808 HD13 LEU 113 3HD1 LEU 113 -3.678 8.371 7.291 809 HD21 LEU 113 3HD2 LEU 113 -2.776 10.923 6.791 810 HD22 LEU 113 1HD2 LEU 113 -4.086 10.875 5.611 811 HD23 LEU 113 2HD2 LEU 113 -2.445 11.257 5.090 812 H VAL 114 H VAL 114 1.825 8.050 5.351 813 HA VAL 114 HA VAL 114 2.825 8.308 7.923 814 HB VAL 114 HB VAL 114 4.012 7.481 5.322 815 HG11 VAL 114 1HG1 VAL 114 5.868 8.694 6.080 816 HG12 VAL 114 2HG1 VAL 114 5.595 8.232 7.761 817 HG13 VAL 114 3HG1 VAL 114 6.179 7.039 6.600 818 HG21 VAL 114 3HG2 VAL 114 3.729 5.432 6.163 819 HG22 VAL 114 1HG2 VAL 114 4.504 5.866 7.687 820 HG23 VAL 114 2HG2 VAL 114 2.790 6.201 7.443 821 HA PRO 115 HA PRO 115 5.781 11.784 6.306 822 HB2 PRO 115 2HB PRO 115 5.178 12.889 3.900 823 HB3 PRO 115 3HB PRO 115 6.243 11.489 4.075 824 HG2 PRO 115 2HG PRO 115 3.346 11.583 3.328 825 HG3 PRO 115 3HG PRO 115 4.651 10.609 2.626 826 HD2 PRO 115 2HD PRO 115 2.878 9.602 4.407 827 HD3 PRO 115 3HD PRO 115 4.560 9.043 4.315 828 H LEU 116 H LEU 116 2.378 12.010 5.388 829 HA LEU 116 HA LEU 116 2.112 14.801 5.757 830 HB2 LEU 116 2HB LEU 116 0.547 13.011 4.634 831 HB3 LEU 116 3HB LEU 116 -0.170 12.946 6.242 832 HG LEU 116 HG LEU 116 -1.419 14.429 4.761 833 HD11 LEU 116 1HD1 LEU 116 -0.181 16.404 6.550 834 HD12 LEU 116 2HD1 LEU 116 -0.721 14.916 7.326 835 HD13 LEU 116 3HD1 LEU 116 -1.863 15.894 6.405 836 HD21 LEU 116 3HD2 LEU 116 -0.382 15.726 3.292 837 HD22 LEU 116 1HD2 LEU 116 1.180 15.258 3.964 838 HD23 LEU 116 2HD2 LEU 116 0.325 16.659 4.612 839 H THR 117 H THR 117 1.391 12.045 7.883 840 HA THR 117 HA THR 117 1.353 13.927 10.153 841 HB THR 117 HB THR 117 -0.157 12.387 11.322 842 HG1 THR 117 HG1 THR 117 -0.003 10.401 10.545 843 HG21 THR 117 3HG2 THR 117 -1.913 13.450 10.440 844 HG22 THR 117 1HG2 THR 117 -1.737 12.607 8.902 845 HG23 THR 117 2HG2 THR 117 -0.813 14.077 9.212 846 H GLN 118 H GLN 118 3.771 13.361 9.830 847 HA GLN 118 HA GLN 118 4.552 10.788 10.904 848 HB2 GLN 118 2HB GLN 118 5.852 11.839 9.092 849 HB3 GLN 118 3HB GLN 118 6.240 13.183 10.158 850 HG2 GLN 118 2HG GLN 118 8.135 11.899 10.302 851 HG3 GLN 118 3HG GLN 118 7.217 11.346 11.702 852 HE21 GLN 118 1HE2 GLN 118 8.389 10.546 8.540 853 HE22 GLN 118 2HE2 GLN 118 8.040 8.856 8.612 854 H GLY 119 H GLY 119 4.795 10.375 12.995 855 HA2 GLY 119 2HA GLY 119 6.077 11.197 15.012 856 HA3 GLY 119 3HA GLY 119 5.130 12.666 14.829 857 H PHE 120 H PHE 120 2.621 11.799 14.390 858 HA PHE 120 HA PHE 120 1.813 10.948 16.984 859 HB2 PHE 120 2HB PHE 120 0.065 11.061 14.526 860 HB3 PHE 120 3HB PHE 120 -0.427 11.224 16.209 861 HD1 PHE 120 HD2 PHE 120 1.396 13.154 17.307 862 HD2 PHE 120 HD1 PHE 120 -0.388 13.036 13.445 863 HE1 PHE 120 HE2 PHE 120 1.618 15.598 17.135 864 HE2 PHE 120 HE1 PHE 120 -0.168 15.480 13.265 865 HZ PHE 120 HZ PHE 120 0.834 16.765 15.112 866 H GLN 121 H GLN 121 0.880 9.028 17.643 867 HA GLN 121 HA GLN 121 1.788 6.676 16.309 868 HB2 GLN 121 2HB GLN 121 0.232 7.254 18.792 869 HB3 GLN 121 3HB GLN 121 0.201 5.620 18.140 870 HG2 GLN 121 2HG GLN 121 1.935 6.138 19.920 871 HG3 GLN 121 3HG GLN 121 2.491 5.320 18.461 872 HE21 GLN 121 1HE2 GLN 121 3.908 6.332 17.113 873 HE22 GLN 121 2HE2 GLN 121 4.652 7.849 17.472 874 H GLY 122 H GLY 122 0.855 6.252 14.379 875 HA2 GLY 122 2HA GLY 122 -2.067 6.396 14.158 876 HA3 GLY 122 3HA GLY 122 -0.937 6.258 12.819 877 H ILE 123 H ILE 123 -2.995 4.592 14.950 878 HA ILE 123 HA ILE 123 -2.142 2.039 13.765 879 HB ILE 123 HB ILE 123 -3.010 2.408 16.634 880 HG12 ILE 123 2HG1 ILE 123 -0.504 1.281 16.660 881 HG13 ILE 123 3HG1 ILE 123 -0.387 2.411 15.316 882 HG21 ILE 123 1HG2 ILE 123 -3.772 0.295 15.832 883 HG22 ILE 123 2HG2 ILE 123 -2.222 -0.035 15.061 884 HG23 ILE 123 3HG2 ILE 123 -2.341 0.004 16.820 885 HD11 ILE 123 3HD1 ILE 123 0.007 3.007 17.954 886 HD12 ILE 123 1HD1 ILE 123 -0.323 4.172 16.671 887 HD13 ILE 123 2HD1 ILE 123 -1.642 3.564 17.672 888 H GLN 124 H GLN 124 -3.739 0.932 12.832 889 HA GLN 124 HA GLN 124 -6.432 1.968 12.948 890 HB2 GLN 124 2HB GLN 124 -6.886 0.647 11.081 891 HB3 GLN 124 3HB GLN 124 -5.191 1.064 10.871 892 HG2 GLN 124 2HG GLN 124 -6.262 -1.532 11.952 893 HG3 GLN 124 3HG GLN 124 -5.580 -1.267 10.348 894 HE21 GLN 124 1HE2 GLN 124 -4.837 -2.915 12.811 895 HE22 GLN 124 2HE2 GLN 124 -3.153 -2.591 13.021 896 H ALA 125 H ALA 125 -8.131 1.121 14.004 897 HA ALA 125 HA ALA 125 -8.010 -1.588 15.059 898 HB1 ALA 125 1HB ALA 125 -8.534 -0.891 17.347 899 HB2 ALA 125 2HB ALA 125 -6.965 -0.276 16.824 900 HB3 ALA 125 3HB ALA 125 -8.362 0.799 16.870 901 H ASN 126 H ASN 126 -9.933 -2.541 14.877 902 HA ASN 126 HA ASN 126 -12.287 -0.831 14.438 903 HB2 ASN 126 2HB ASN 126 -13.169 -2.454 13.014 904 HB3 ASN 126 3HB ASN 126 -11.446 -2.530 12.660 905 HD21 ASN 126 1HD2 ASN 126 -10.230 -4.274 13.460 906 HD22 ASN 126 2HD2 ASN 126 -10.988 -5.755 13.928 907 H ASP 127 H ASP 127 -14.348 -1.596 15.271 908 HA ASP 127 HA ASP 127 -15.720 -2.311 16.939 909 HB2 ASP 127 2HB ASP 127 -14.254 -4.523 16.237 910 HB3 ASP 127 3HB ASP 127 -13.960 -4.422 17.971 911 H ALA 128 H ALA 128 -15.202 -3.375 19.458 912 HA ALA 128 HA ALA 128 -14.659 -1.136 20.984 913 HB1 ALA 128 1HB ALA 128 -14.507 -2.620 22.891 914 HB2 ALA 128 2HB ALA 128 -15.803 -3.149 21.818 915 HB3 ALA 128 3HB ALA 128 -14.260 -4.004 21.826 916 H SER 129 H SER 129 -12.454 -3.394 19.544 917 HA SER 129 HA SER 129 -10.193 -2.982 21.140 918 HB2 SER 129 2HB SER 129 -10.790 -4.410 18.812 919 HB3 SER 129 3HB SER 129 -9.505 -3.299 18.338 920 HG SER 129 HG SER 129 -8.224 -4.662 19.280 921 H GLY 130 H GLY 130 -11.688 -0.982 18.739 922 HA2 GLY 130 2HA GLY 130 -9.365 0.834 18.766 923 HA3 GLY 130 3HA GLY 130 -10.613 0.810 17.529 924 H LEU 131 H LEU 131 -11.682 0.517 20.774 925 HA LEU 131 HA LEU 131 -12.243 3.391 20.945 926 HB2 LEU 131 2HB LEU 131 -14.289 1.240 21.460 927 HB3 LEU 131 3HB LEU 131 -14.536 2.980 21.590 928 HG LEU 131 HG LEU 131 -13.942 1.512 19.021 929 HD11 LEU 131 1HD1 LEU 131 -16.443 2.062 20.464 930 HD12 LEU 131 2HD1 LEU 131 -16.072 0.835 19.254 931 HD13 LEU 131 3HD1 LEU 131 -16.446 2.483 18.751 932 HD21 LEU 131 3HD2 LEU 131 -14.986 4.309 19.355 933 HD22 LEU 131 1HD2 LEU 131 -14.312 3.547 17.914 934 HD23 LEU 131 2HD2 LEU 131 -13.260 3.955 19.269 935 H ASP 132 H ASP 132 -10.413 1.437 22.297 936 HA ASP 132 HA ASP 132 -11.436 1.521 25.040 937 HB2 ASP 132 2HB ASP 132 -9.239 -0.001 23.677 938 HB3 ASP 132 3HB ASP 132 -9.213 0.202 25.427 939 H PHE 133 H PHE 133 -11.076 3.421 25.998 940 HA PHE 133 HA PHE 133 -9.184 5.323 25.358 941 HB2 PHE 133 2HB PHE 133 -9.568 6.259 27.602 942 HB3 PHE 133 3HB PHE 133 -11.079 5.777 26.838 943 HD1 PHE 133 HD1 PHE 133 -12.271 3.771 27.607 944 HD2 PHE 133 HD2 PHE 133 -8.785 5.202 29.586 945 HE1 PHE 133 HE1 PHE 133 -12.826 2.397 29.570 946 HE2 PHE 133 HE2 PHE 133 -9.334 3.829 31.552 947 HZ PHE 133 HZ PHE 133 -11.356 2.423 31.546 948 H GLU 134 H GLU 134 -8.898 2.564 27.530 949 HA GLU 134 HA GLU 134 -6.474 3.195 28.752 950 HB2 GLU 134 2HB GLU 134 -8.126 0.826 28.408 951 HB3 GLU 134 3HB GLU 134 -6.413 0.434 28.422 952 HG2 GLU 134 2HG GLU 134 -6.114 1.262 30.578 953 HG3 GLU 134 3HG GLU 134 -7.616 2.184 30.530 954 H GLU 135 H GLU 135 -7.154 1.830 25.596 955 HA GLU 135 HA GLU 135 -4.507 1.012 24.994 956 HB2 GLU 135 2HB GLU 135 -6.854 0.528 23.827 957 HB3 GLU 135 3HB GLU 135 -6.339 1.865 22.808 958 HG2 GLU 135 2HG GLU 135 -4.519 0.701 21.976 959 HG3 GLU 135 3HG GLU 135 -4.506 -0.438 23.321 960 H ILE 136 H ILE 136 -6.328 3.980 24.366 961 HA ILE 136 HA ILE 136 -4.354 5.254 22.801 962 HB ILE 136 HB ILE 136 -6.510 6.495 24.515 963 HG12 ILE 136 2HG1 ILE 136 -7.365 4.959 22.784 964 HG13 ILE 136 3HG1 ILE 136 -7.793 6.631 22.440 965 HG21 ILE 136 1HG2 ILE 136 -4.852 7.679 22.292 966 HG22 ILE 136 2HG2 ILE 136 -6.226 8.464 23.069 967 HG23 ILE 136 3HG2 ILE 136 -4.773 8.105 24.002 968 HD11 ILE 136 3HD1 ILE 136 -5.594 5.037 21.147 969 HD12 ILE 136 1HD1 ILE 136 -7.125 5.520 20.417 970 HD13 ILE 136 2HD1 ILE 136 -5.925 6.742 20.840 971 H SER 137 H SER 137 -5.112 5.450 26.268 972 HA SER 137 HA SER 137 -3.115 7.330 26.916 973 HB2 SER 137 2HB SER 137 -4.845 5.447 28.431 974 HB3 SER 137 3HB SER 137 -3.405 6.045 29.255 975 HG SER 137 HG SER 137 -5.475 7.311 29.380 976 H ARG 138 H ARG 138 -3.105 3.813 26.751 977 HA ARG 138 HA ARG 138 -0.544 3.457 27.926 978 HB2 ARG 138 2HB ARG 138 -2.163 1.636 27.834 979 HB3 ARG 138 3HB ARG 138 -2.122 1.661 26.076 980 HG2 ARG 138 2HG ARG 138 0.488 1.297 27.367 981 HG3 ARG 138 3HG ARG 138 -0.669 -0.012 27.623 982 HD2 ARG 138 2HD ARG 138 -0.411 1.031 24.865 983 HD3 ARG 138 3HD ARG 138 0.954 0.112 25.498 984 HE ARG 138 HE ARG 138 -1.394 -1.317 26.020 985 HH11 ARG 138 1HH1 ARG 138 0.553 -0.307 23.317 986 HH12 ARG 138 2HH1 ARG 138 0.107 -1.656 22.325 987 HH21 ARG 138 1HH2 ARG 138 -1.988 -3.097 24.724 988 HH22 ARG 138 2HH2 ARG 138 -1.339 -3.242 23.126 989 H LYS 139 H LYS 139 -1.676 3.992 24.649 990 HA LYS 139 HA LYS 139 0.778 3.380 23.353 991 HB2 LYS 139 2HB LYS 139 -1.656 4.948 22.518 992 HB3 LYS 139 3HB LYS 139 -0.262 4.754 21.464 993 HG2 LYS 139 2HG LYS 139 -1.026 2.196 22.469 994 HG3 LYS 139 3HG LYS 139 -2.446 3.010 21.808 995 HD2 LYS 139 2HD LYS 139 -1.531 3.155 19.682 996 HD3 LYS 139 3HD LYS 139 0.124 2.989 20.274 997 HE2 LYS 139 2HE LYS 139 -1.553 0.681 20.878 998 HE3 LYS 139 3HE LYS 139 -1.403 0.993 19.150 999 HZ1 LYS 139 3HZ LYS 139 0.997 0.966 19.383 1000 HZ2 LYS 139 1HZ LYS 139 0.335 -0.486 19.946 1001 HZ3 LYS 139 2HZ LYS 139 0.862 0.686 21.046 1002 H VAL 140 H VAL 140 -0.745 6.446 24.317 1003 HA VAL 140 HA VAL 140 1.320 8.127 23.402 1004 HB VAL 140 HB VAL 140 -0.863 9.036 23.911 1005 HG11 VAL 140 1HG1 VAL 140 -0.288 8.454 26.813 1006 HG12 VAL 140 2HG1 VAL 140 -1.748 9.185 26.142 1007 HG13 VAL 140 3HG1 VAL 140 -1.364 7.498 25.795 1008 HG21 VAL 140 3HG2 VAL 140 -0.165 11.050 24.799 1009 HG22 VAL 140 1HG2 VAL 140 0.891 10.281 25.984 1010 HG23 VAL 140 2HG2 VAL 140 1.365 10.339 24.287 1011 H LYS 141 H LYS 141 0.755 6.552 26.514 1012 HA LYS 141 HA LYS 141 3.017 7.785 27.780 1013 HB2 LYS 141 2HB LYS 141 2.423 6.590 29.697 1014 HB3 LYS 141 3HB LYS 141 0.882 6.861 28.894 1015 HG2 LYS 141 2HG LYS 141 1.078 4.574 27.913 1016 HG3 LYS 141 3HG LYS 141 2.499 4.325 28.930 1017 HD2 LYS 141 2HD LYS 141 0.828 5.133 30.822 1018 HD3 LYS 141 3HD LYS 141 -0.372 4.523 29.681 1019 HE2 LYS 141 2HE LYS 141 0.012 2.487 30.490 1020 HE3 LYS 141 3HE LYS 141 1.615 2.568 29.762 1021 HZ1 LYS 141 3HZ LYS 141 2.301 2.282 31.860 1022 HZ2 LYS 141 1HZ LYS 141 0.836 2.791 32.536 1023 HZ3 LYS 141 2HZ LYS 141 1.980 3.933 32.038 1024 H SER 142 H SER 142 2.499 5.018 25.803 1025 HA SER 142 HA SER 142 4.664 3.418 26.654 1026 HB2 SER 142 2HB SER 142 2.884 3.525 24.282 1027 HB3 SER 142 3HB SER 142 4.427 2.700 24.067 1028 HG SER 142 HG SER 142 2.339 2.099 25.870 1029 H ASN 143 H ASN 143 4.424 6.141 24.475 1030 HA ASN 143 HA ASN 143 5.974 7.343 23.319 1031 HB2 ASN 143 2HB ASN 143 7.578 6.307 25.644 1032 HB3 ASN 143 3HB ASN 143 8.317 7.329 24.416 1033 HD21 ASN 143 1HD2 ASN 143 8.178 9.445 24.667 1034 HD22 ASN 143 2HD2 ASN 143 7.111 10.264 25.752 1035 H ARG 144 H ARG 144 5.473 4.639 22.444 1036 HA ARG 144 HA ARG 144 6.235 3.158 20.895 1037 HB2 ARG 144 2HB ARG 144 7.110 5.503 20.001 1038 HB3 ARG 144 3HB ARG 144 8.675 4.784 20.356 1039 HG2 ARG 144 2HG ARG 144 7.117 2.875 18.940 1040 HG3 ARG 144 3HG ARG 144 7.041 4.415 18.081 1041 HD2 ARG 144 2HD ARG 144 8.934 3.449 17.177 1042 HD3 ARG 144 3HD ARG 144 9.608 4.456 18.457 1043 HE ARG 144 HE ARG 144 9.121 1.925 19.523 1044 HH11 ARG 144 1HH1 ARG 144 11.169 3.428 17.142 1045 HH12 ARG 144 2HH1 ARG 144 12.455 2.283 17.336 1046 HH21 ARG 144 1HH2 ARG 144 10.807 0.412 19.787 1047 HH22 ARG 144 2HH2 ARG 144 12.248 0.568 18.840 Start of MODEL 8 1 H MET 9 H MET 9 -8.966 1.259 -9.507 2 HA MET 9 HA MET 9 -7.703 3.092 -9.031 3 HB2 MET 9 2HB MET 9 -8.783 5.258 -8.746 4 HB3 MET 9 3HB MET 9 -9.515 4.379 -10.082 5 HG2 MET 9 2HG MET 9 -11.025 3.678 -7.853 6 HG3 MET 9 3HG MET 9 -10.714 5.403 -7.674 7 HE1 MET 9 3HE MET 9 -12.260 2.572 -9.663 8 HE2 MET 9 1HE MET 9 -13.515 3.311 -8.668 9 HE3 MET 9 2HE MET 9 -13.633 3.376 -10.427 10 H ALA 10 H ALA 10 -8.079 1.184 -7.054 11 HA ALA 10 HA ALA 10 -7.926 2.849 -4.632 12 HB1 ALA 10 1HB ALA 10 -9.344 0.215 -4.956 13 HB2 ALA 10 2HB ALA 10 -8.905 0.887 -3.385 14 HB3 ALA 10 3HB ALA 10 -10.019 1.760 -4.437 15 H MET 11 H MET 11 -5.876 1.749 -6.470 16 HA MET 11 HA MET 11 -4.457 -0.007 -4.578 17 HB2 MET 11 2HB MET 11 -4.120 0.238 -7.572 18 HB3 MET 11 3HB MET 11 -3.140 -0.783 -6.527 19 HG2 MET 11 2HG MET 11 -4.825 -2.297 -6.189 20 HG3 MET 11 3HG MET 11 -6.095 -1.116 -6.502 21 HE1 MET 11 3HE MET 11 -4.487 -4.315 -8.512 22 HE2 MET 11 1HE MET 11 -5.644 -4.015 -7.215 23 HE3 MET 11 2HE MET 11 -6.210 -4.211 -8.874 24 H SER 12 H SER 12 -4.338 2.920 -6.453 25 HA SER 12 HA SER 12 -2.205 3.965 -4.874 26 HB2 SER 12 2HB SER 12 -0.821 4.406 -7.090 27 HB3 SER 12 3HB SER 12 -0.608 2.917 -6.169 28 HG SER 12 HG SER 12 -0.907 2.323 -8.275 29 H GLY 13 H GLY 13 -3.480 5.725 -4.487 30 HA2 GLY 13 2HA GLY 13 -3.443 7.843 -6.345 31 HA3 GLY 13 3HA GLY 13 -5.035 7.099 -6.368 32 H VAL 14 H VAL 14 -4.975 6.396 -3.539 33 HA VAL 14 HA VAL 14 -6.277 8.560 -2.436 34 HB VAL 14 HB VAL 14 -6.450 6.382 -1.421 35 HG11 VAL 14 1HG1 VAL 14 -4.684 5.074 -1.112 36 HG12 VAL 14 2HG1 VAL 14 -3.628 6.388 -1.635 37 HG13 VAL 14 3HG1 VAL 14 -4.033 6.206 0.073 38 HG21 VAL 14 3HG2 VAL 14 -5.128 8.279 0.517 39 HG22 VAL 14 1HG2 VAL 14 -6.812 8.366 0.000 40 HG23 VAL 14 2HG2 VAL 14 -6.242 6.972 0.918 41 H SER 15 H SER 15 -5.623 10.515 -1.857 42 HA SER 15 HA SER 15 -2.940 10.854 -0.724 43 HB2 SER 15 2HB SER 15 -3.802 11.817 -3.298 44 HB3 SER 15 3HB SER 15 -3.443 13.180 -2.240 45 HG SER 15 HG SER 15 -1.640 12.216 -3.494 46 H VAL 16 H VAL 16 -2.776 12.395 0.856 47 HA VAL 16 HA VAL 16 -5.201 13.212 2.124 48 HB VAL 16 HB VAL 16 -3.286 12.651 3.489 49 HG11 VAL 16 1HG1 VAL 16 -1.656 14.983 3.088 50 HG12 VAL 16 2HG1 VAL 16 -1.210 13.277 3.002 51 HG13 VAL 16 3HG1 VAL 16 -1.842 14.098 1.574 52 HG21 VAL 16 3HG2 VAL 16 -3.208 14.638 4.938 53 HG22 VAL 16 1HG2 VAL 16 -3.956 15.587 3.654 54 HG23 VAL 16 2HG2 VAL 16 -4.848 14.267 4.408 55 H ALA 17 H ALA 17 -6.352 14.977 1.739 56 HA ALA 17 HA ALA 17 -5.506 16.955 -0.129 57 HB1 ALA 17 1HB ALA 17 -7.769 16.739 -0.228 58 HB2 ALA 17 2HB ALA 17 -7.933 16.468 1.507 59 HB3 ALA 17 3HB ALA 17 -7.671 18.099 0.890 60 H ASP 18 H ASP 18 -5.307 19.237 0.269 61 HA ASP 18 HA ASP 18 -3.497 19.917 2.250 62 HB2 ASP 18 2HB ASP 18 -5.385 21.582 0.598 63 HB3 ASP 18 3HB ASP 18 -4.290 22.320 1.763 64 H GLU 19 H GLU 19 -7.013 20.064 2.289 65 HA GLU 19 HA GLU 19 -7.368 21.571 4.614 66 HB2 GLU 19 2HB GLU 19 -9.583 20.458 4.764 67 HB3 GLU 19 3HB GLU 19 -9.232 21.092 3.162 68 HG2 GLU 19 2HG GLU 19 -8.313 18.574 2.895 69 HG3 GLU 19 3HG GLU 19 -9.609 18.320 4.062 70 H CYS 20 H CYS 20 -6.931 18.084 4.182 71 HA CYS 20 HA CYS 20 -7.292 17.381 6.893 72 HB2 CYS 20 2HB CYS 20 -6.000 16.034 4.540 73 HB3 CYS 20 3HB CYS 20 -5.889 15.322 6.145 74 HG CYS 20 HG CYS 20 -8.072 14.538 4.131 75 H VAL 21 H VAL 21 -4.402 18.133 4.987 76 HA VAL 21 HA VAL 21 -2.474 17.561 6.924 77 HB VAL 21 HB VAL 21 -2.287 19.773 4.879 78 HG11 VAL 21 1HG1 VAL 21 -0.368 20.031 6.063 79 HG12 VAL 21 2HG1 VAL 21 -0.366 18.363 6.638 80 HG13 VAL 21 3HG1 VAL 21 0.166 18.732 4.997 81 HG21 VAL 21 3HG2 VAL 21 -1.025 17.651 3.750 82 HG22 VAL 21 1HG2 VAL 21 -2.369 16.854 4.567 83 HG23 VAL 21 2HG2 VAL 21 -2.684 18.131 3.392 84 H THR 22 H THR 22 -4.132 20.623 6.208 85 HA THR 22 HA THR 22 -2.835 22.144 8.198 86 HB THR 22 HB THR 22 -5.638 22.781 7.365 87 HG1 THR 22 HG1 THR 22 -4.450 23.793 5.464 88 HG21 THR 22 3HG2 THR 22 -3.207 24.230 8.244 89 HG22 THR 22 1HG2 THR 22 -4.903 24.535 8.616 90 HG23 THR 22 2HG2 THR 22 -4.236 25.039 7.063 91 H ALA 23 H ALA 23 -5.865 20.315 8.203 92 HA ALA 23 HA ALA 23 -6.829 21.096 10.702 93 HB1 ALA 23 1HB ALA 23 -7.157 18.460 9.275 94 HB2 ALA 23 2HB ALA 23 -8.109 18.985 10.664 95 HB3 ALA 23 3HB ALA 23 -8.207 19.871 9.142 96 H LEU 24 H LEU 24 -4.691 18.394 9.836 97 HA LEU 24 HA LEU 24 -4.430 17.402 12.479 98 HB2 LEU 24 2HB LEU 24 -2.563 17.084 10.133 99 HB3 LEU 24 3HB LEU 24 -2.557 16.108 11.600 100 HG LEU 24 HG LEU 24 -5.018 16.193 9.910 101 HD11 LEU 24 1HD1 LEU 24 -3.831 15.498 8.141 102 HD12 LEU 24 2HD1 LEU 24 -3.749 13.966 9.009 103 HD13 LEU 24 3HD1 LEU 24 -2.413 15.112 9.115 104 HD21 LEU 24 3HD2 LEU 24 -3.716 14.188 11.740 105 HD22 LEU 24 1HD2 LEU 24 -5.119 13.825 10.735 106 HD23 LEU 24 2HD2 LEU 24 -5.230 15.060 11.989 107 H ASN 25 H ASN 25 -2.540 19.665 10.537 108 HA ASN 25 HA ASN 25 -0.334 19.947 12.221 109 HB2 ASN 25 2HB ASN 25 -1.636 21.700 10.174 110 HB3 ASN 25 3HB ASN 25 -0.362 22.372 11.188 111 HD21 ASN 25 1HD2 ASN 25 1.021 22.630 9.446 112 HD22 ASN 25 2HD2 ASN 25 1.806 21.291 8.686 113 H ASP 26 H ASP 26 -3.406 21.724 12.182 114 HA ASP 26 HA ASP 26 -2.726 23.410 14.377 115 HB2 ASP 26 2HB ASP 26 -5.547 22.765 13.560 116 HB3 ASP 26 3HB ASP 26 -4.904 24.271 14.210 117 H LEU 27 H LEU 27 -4.470 20.364 14.045 118 HA LEU 27 HA LEU 27 -5.549 20.167 16.601 119 HB2 LEU 27 2HB LEU 27 -5.733 18.639 14.475 120 HB3 LEU 27 3HB LEU 27 -4.432 17.748 15.262 121 HG LEU 27 HG LEU 27 -6.347 18.059 17.249 122 HD11 LEU 27 1HD1 LEU 27 -7.965 16.825 15.172 123 HD12 LEU 27 2HD1 LEU 27 -7.686 18.544 14.897 124 HD13 LEU 27 3HD1 LEU 27 -8.410 18.000 16.410 125 HD21 LEU 27 3HD2 LEU 27 -4.857 16.104 16.613 126 HD22 LEU 27 1HD2 LEU 27 -6.108 15.662 15.452 127 HD23 LEU 27 2HD2 LEU 27 -6.482 15.710 17.175 128 H ARG 28 H ARG 28 -2.357 19.180 15.414 129 HA ARG 28 HA ARG 28 -1.450 18.027 17.817 130 HB2 ARG 28 2HB ARG 28 0.572 17.783 16.764 131 HB3 ARG 28 3HB ARG 28 -0.463 18.026 15.364 132 HG2 ARG 28 2HG ARG 28 0.167 20.562 15.810 133 HG3 ARG 28 3HG ARG 28 1.583 19.809 16.546 134 HD2 ARG 28 2HD ARG 28 2.280 18.866 14.549 135 HD3 ARG 28 3HD ARG 28 0.670 18.947 13.834 136 HE ARG 28 HE ARG 28 1.144 21.061 13.102 137 HH11 ARG 28 1HH1 ARG 28 3.445 20.167 15.556 138 HH12 ARG 28 2HH1 ARG 28 4.438 21.567 15.320 139 HH21 ARG 28 1HH2 ARG 28 2.443 22.908 12.781 140 HH22 ARG 28 2HH2 ARG 28 3.866 23.126 13.742 141 H HIS 29 H HIS 29 -1.776 21.309 16.799 142 HA HIS 29 HA HIS 29 -0.050 22.292 18.940 143 HB2 HIS 29 2HB HIS 29 -0.384 23.227 16.440 144 HB3 HIS 29 3HB HIS 29 -1.605 24.189 17.269 145 HD1 HIS 29 HD1 HIS 29 -0.775 25.943 18.977 146 HD2 HIS 29 HD2 HIS 29 2.268 23.859 17.063 147 HE1 HIS 29 HE1 HIS 29 1.335 27.213 19.488 148 H LYS 30 H LYS 30 -2.760 20.948 19.260 149 HA LYS 30 HA LYS 30 -4.543 21.104 20.662 150 HB2 LYS 30 2HB LYS 30 -2.716 21.906 22.215 151 HB3 LYS 30 3HB LYS 30 -3.194 23.549 21.810 152 HG2 LYS 30 2HG LYS 30 -5.577 22.594 22.529 153 HG3 LYS 30 3HG LYS 30 -4.547 21.537 23.499 154 HD2 LYS 30 2HD LYS 30 -3.401 23.573 24.372 155 HD3 LYS 30 3HD LYS 30 -4.592 24.553 23.514 156 HE2 LYS 30 2HE LYS 30 -6.313 23.920 24.910 157 HE3 LYS 30 3HE LYS 30 -5.526 22.411 25.370 158 HZ1 LYS 30 3HZ LYS 30 -5.033 23.517 27.234 159 HZ2 LYS 30 1HZ LYS 30 -5.300 25.038 26.543 160 HZ3 LYS 30 2HZ LYS 30 -3.817 24.256 26.319 161 H LYS 31 H LYS 31 -4.963 22.142 18.184 162 HA LYS 31 HA LYS 31 -5.981 24.802 18.223 163 HB2 LYS 31 2HB LYS 31 -5.259 23.852 16.132 164 HB3 LYS 31 3HB LYS 31 -6.386 22.512 16.295 165 HG2 LYS 31 2HG LYS 31 -7.863 24.935 16.428 166 HG3 LYS 31 3HG LYS 31 -6.785 25.011 15.033 167 HD2 LYS 31 2HD LYS 31 -7.766 23.192 14.008 168 HD3 LYS 31 3HD LYS 31 -8.368 22.528 15.529 169 HE2 LYS 31 2HE LYS 31 -10.302 23.624 15.343 170 HE3 LYS 31 3HE LYS 31 -9.490 25.141 14.960 171 HZ1 LYS 31 3HZ LYS 31 -9.160 23.851 12.675 172 HZ2 LYS 31 1HZ LYS 31 -10.516 24.813 12.995 173 HZ3 LYS 31 2HZ LYS 31 -10.608 23.134 13.176 174 H SER 32 H SER 32 -7.778 21.772 17.667 175 HA SER 32 HA SER 32 -10.039 22.967 19.132 176 HB2 SER 32 2HB SER 32 -9.889 21.706 16.533 177 HB3 SER 32 3HB SER 32 -11.024 20.848 17.575 178 HG SER 32 HG SER 32 -11.047 23.660 17.220 179 H ARG 33 H ARG 33 -9.340 19.648 18.078 180 HA ARG 33 HA ARG 33 -8.675 18.624 20.610 181 HB2 ARG 33 2HB ARG 33 -11.197 19.287 20.808 182 HB3 ARG 33 3HB ARG 33 -11.468 17.821 19.874 183 HG2 ARG 33 2HG ARG 33 -11.709 17.234 22.147 184 HG3 ARG 33 3HG ARG 33 -10.150 16.590 21.626 185 HD2 ARG 33 2HD ARG 33 -9.545 19.133 22.526 186 HD3 ARG 33 3HD ARG 33 -10.766 18.568 23.665 187 HE ARG 33 HE ARG 33 -8.075 17.595 23.381 188 HH11 ARG 33 1HH1 ARG 33 -11.295 16.846 24.471 189 HH12 ARG 33 2HH1 ARG 33 -10.774 15.637 25.596 190 HH21 ARG 33 1HH2 ARG 33 -7.376 16.006 24.860 191 HH22 ARG 33 2HH2 ARG 33 -8.544 15.160 25.818 192 H TYR 34 H TYR 34 -10.878 17.442 18.066 193 HA TYR 34 HA TYR 34 -8.803 15.624 17.120 194 HB2 TYR 34 2HB TYR 34 -10.620 13.772 17.131 195 HB3 TYR 34 3HB TYR 34 -9.773 14.134 18.630 196 HD1 TYR 34 HD2 TYR 34 -12.957 14.449 16.824 197 HD2 TYR 34 HD1 TYR 34 -10.922 15.133 20.498 198 HE1 TYR 34 HE2 TYR 34 -15.113 14.847 17.938 199 HE2 TYR 34 HE1 TYR 34 -13.073 15.533 21.622 200 HH TYR 34 HH TYR 34 -15.645 14.683 21.027 201 H VAL 35 H VAL 35 -9.216 14.750 15.030 202 HA VAL 35 HA VAL 35 -11.507 15.852 13.579 203 HB VAL 35 HB VAL 35 -9.755 17.473 13.177 204 HG11 VAL 35 1HG1 VAL 35 -7.901 15.882 11.672 205 HG12 VAL 35 2HG1 VAL 35 -7.603 16.934 13.056 206 HG13 VAL 35 3HG1 VAL 35 -8.052 15.247 13.310 207 HG21 VAL 35 3HG2 VAL 35 -11.283 16.475 11.297 208 HG22 VAL 35 1HG2 VAL 35 -9.991 17.605 10.893 209 HG23 VAL 35 2HG2 VAL 35 -9.754 15.873 10.658 210 H ILE 36 H ILE 36 -12.449 14.314 12.420 211 HA ILE 36 HA ILE 36 -10.881 11.926 11.718 212 HB ILE 36 HB ILE 36 -13.877 12.221 11.964 213 HG12 ILE 36 2HG1 ILE 36 -12.516 10.342 13.739 214 HG13 ILE 36 3HG1 ILE 36 -11.995 12.005 13.984 215 HG21 ILE 36 1HG2 ILE 36 -13.414 10.565 10.323 216 HG22 ILE 36 2HG2 ILE 36 -12.135 9.857 11.309 217 HG23 ILE 36 3HG2 ILE 36 -13.818 9.715 11.814 218 HD11 ILE 36 3HD1 ILE 36 -13.873 11.299 15.435 219 HD12 ILE 36 1HD1 ILE 36 -14.235 12.704 14.433 220 HD13 ILE 36 2HD1 ILE 36 -14.867 11.118 13.990 221 H MET 37 H MET 37 -10.706 11.260 9.642 222 HA MET 37 HA MET 37 -12.272 12.666 7.594 223 HB2 MET 37 2HB MET 37 -10.331 12.983 6.207 224 HB3 MET 37 3HB MET 37 -10.009 13.688 7.785 225 HG2 MET 37 2HG MET 37 -9.074 11.115 8.045 226 HG3 MET 37 3HG MET 37 -8.652 11.537 6.387 227 HE1 MET 37 3HE MET 37 -8.103 11.509 9.806 228 HE2 MET 37 1HE MET 37 -6.365 11.804 9.762 229 HE3 MET 37 2HE MET 37 -7.458 13.062 10.339 230 H HIS 38 H HIS 38 -12.447 11.529 5.568 231 HA HIS 38 HA HIS 38 -11.833 8.657 5.746 232 HB2 HIS 38 2HB HIS 38 -13.983 8.072 4.875 233 HB3 HIS 38 3HB HIS 38 -14.252 9.160 6.234 234 HD1 HIS 38 HD1 HIS 38 -14.304 11.857 5.221 235 HD2 HIS 38 HD2 HIS 38 -15.642 8.713 2.858 236 HE1 HIS 38 HE1 HIS 38 -15.805 12.904 3.496 237 H ILE 39 H ILE 39 -11.901 7.560 3.607 238 HA ILE 39 HA ILE 39 -10.504 9.190 1.658 239 HB ILE 39 HB ILE 39 -11.192 6.266 1.409 240 HG12 ILE 39 2HG1 ILE 39 -8.758 7.528 2.690 241 HG13 ILE 39 3HG1 ILE 39 -10.020 6.635 3.533 242 HG21 ILE 39 1HG2 ILE 39 -9.409 6.167 -0.158 243 HG22 ILE 39 2HG2 ILE 39 -10.406 7.552 -0.600 244 HG23 ILE 39 3HG2 ILE 39 -8.879 7.800 0.246 245 HD11 ILE 39 3HD1 ILE 39 -9.338 4.738 1.850 246 HD12 ILE 39 1HD1 ILE 39 -7.826 5.643 1.799 247 HD13 ILE 39 2HD1 ILE 39 -8.429 5.020 3.335 248 H VAL 40 H VAL 40 -11.394 10.069 -0.086 249 HA VAL 40 HA VAL 40 -14.089 9.180 -0.879 250 HB VAL 40 HB VAL 40 -12.783 11.861 -1.369 251 HG11 VAL 40 1HG1 VAL 40 -15.340 10.628 -2.249 252 HG12 VAL 40 2HG1 VAL 40 -15.339 12.344 -1.839 253 HG13 VAL 40 3HG1 VAL 40 -14.266 11.737 -3.101 254 HG21 VAL 40 3HG2 VAL 40 -14.640 10.854 0.738 255 HG22 VAL 40 1HG2 VAL 40 -13.264 11.949 0.878 256 HG23 VAL 40 2HG2 VAL 40 -14.783 12.524 0.188 257 H ASP 41 H ASP 41 -14.354 8.290 -2.819 258 HA ASP 41 HA ASP 41 -13.958 7.557 -4.936 259 HB2 ASP 41 2HB ASP 41 -13.064 10.286 -4.889 260 HB3 ASP 41 3HB ASP 41 -12.008 9.344 -5.937 261 H GLN 42 H GLN 42 -12.028 7.085 -2.568 262 HA GLN 42 HA GLN 42 -10.060 6.007 -2.153 263 HB2 GLN 42 2HB GLN 42 -10.673 4.754 -4.835 264 HB3 GLN 42 3HB GLN 42 -9.606 4.092 -3.604 265 HG2 GLN 42 2HG GLN 42 -11.414 2.904 -3.034 266 HG3 GLN 42 3HG GLN 42 -11.868 4.374 -2.173 267 HE21 GLN 42 1HE2 GLN 42 -13.919 4.837 -2.446 268 HE22 GLN 42 2HE2 GLN 42 -14.832 4.631 -3.898 269 H LYS 43 H LYS 43 -9.838 8.558 -3.508 270 HA LYS 43 HA LYS 43 -7.134 8.220 -4.550 271 HB2 LYS 43 2HB LYS 43 -9.114 8.424 -6.361 272 HB3 LYS 43 3HB LYS 43 -8.825 10.133 -6.062 273 HG2 LYS 43 2HG LYS 43 -6.449 9.804 -6.611 274 HG3 LYS 43 3HG LYS 43 -6.789 8.111 -6.976 275 HD2 LYS 43 2HD LYS 43 -8.204 8.710 -8.800 276 HD3 LYS 43 3HD LYS 43 -8.170 10.415 -8.342 277 HE2 LYS 43 2HE LYS 43 -6.643 10.387 -10.060 278 HE3 LYS 43 3HE LYS 43 -5.589 10.141 -8.668 279 HZ1 LYS 43 3HZ LYS 43 -6.596 7.676 -9.698 280 HZ2 LYS 43 1HZ LYS 43 -4.997 8.151 -9.417 281 HZ3 LYS 43 2HZ LYS 43 -5.750 8.543 -10.879 282 H SER 44 H SER 44 -9.707 10.432 -3.555 283 HA SER 44 HA SER 44 -7.632 12.240 -2.501 284 HB2 SER 44 2HB SER 44 -9.662 12.820 -4.381 285 HB3 SER 44 3HB SER 44 -10.139 13.601 -2.873 286 HG SER 44 HG SER 44 -8.816 15.002 -3.994 287 H ILE 45 H ILE 45 -7.669 12.563 -0.377 288 HA ILE 45 HA ILE 45 -9.753 11.355 1.215 289 HB ILE 45 HB ILE 45 -7.339 12.935 2.108 290 HG12 ILE 45 2HG1 ILE 45 -7.724 9.937 1.987 291 HG13 ILE 45 3HG1 ILE 45 -6.815 10.869 0.802 292 HG21 ILE 45 1HG2 ILE 45 -7.717 11.900 4.281 293 HG22 ILE 45 2HG2 ILE 45 -9.119 12.845 3.782 294 HG23 ILE 45 3HG2 ILE 45 -9.152 11.087 3.654 295 HD11 ILE 45 3HD1 ILE 45 -5.772 11.578 3.299 296 HD12 ILE 45 1HD1 ILE 45 -5.974 9.826 3.329 297 HD13 ILE 45 2HD1 ILE 45 -5.018 10.583 2.054 298 H ALA 46 H ALA 46 -11.400 12.355 2.198 299 HA ALA 46 HA ALA 46 -11.382 15.295 2.329 300 HB1 ALA 46 1HB ALA 46 -13.462 15.515 1.388 301 HB2 ALA 46 2HB ALA 46 -12.831 14.148 0.468 302 HB3 ALA 46 3HB ALA 46 -13.946 13.871 1.805 303 H VAL 47 H VAL 47 -12.572 16.223 4.039 304 HA VAL 47 HA VAL 47 -12.542 14.721 6.449 305 HB VAL 47 HB VAL 47 -13.732 17.434 5.862 306 HG11 VAL 47 1HG1 VAL 47 -13.396 15.911 8.425 307 HG12 VAL 47 2HG1 VAL 47 -13.473 17.673 8.398 308 HG13 VAL 47 3HG1 VAL 47 -14.832 16.721 7.800 309 HG21 VAL 47 3HG2 VAL 47 -11.436 17.506 7.541 310 HG22 VAL 47 1HG2 VAL 47 -11.053 16.549 6.110 311 HG23 VAL 47 2HG2 VAL 47 -11.649 18.200 5.934 312 H LYS 48 H LYS 48 -14.159 13.782 7.595 313 HA LYS 48 HA LYS 48 -16.778 13.613 6.266 314 HB2 LYS 48 2HB LYS 48 -15.140 11.576 6.990 315 HB3 LYS 48 3HB LYS 48 -16.135 11.710 8.434 316 HG2 LYS 48 2HG LYS 48 -18.150 11.515 6.996 317 HG3 LYS 48 3HG LYS 48 -17.084 11.224 5.619 318 HD2 LYS 48 2HD LYS 48 -16.092 9.361 7.172 319 HD3 LYS 48 3HD LYS 48 -17.653 9.493 7.985 320 HE2 LYS 48 2HE LYS 48 -18.826 8.766 6.125 321 HE3 LYS 48 3HE LYS 48 -17.533 9.207 5.011 322 HZ1 LYS 48 3HZ LYS 48 -16.433 7.280 5.378 323 HZ2 LYS 48 1HZ LYS 48 -17.990 6.719 5.729 324 HZ3 LYS 48 2HZ LYS 48 -16.941 7.143 6.986 325 H THR 49 H THR 49 -15.258 13.889 9.463 326 HA THR 49 HA THR 49 -17.317 15.670 10.369 327 HB THR 49 HB THR 49 -17.140 12.916 11.601 328 HG1 THR 49 HG1 THR 49 -19.379 14.289 10.496 329 HG21 THR 49 3HG2 THR 49 -17.320 14.561 13.367 330 HG22 THR 49 1HG2 THR 49 -18.871 13.745 13.170 331 HG23 THR 49 2HG2 THR 49 -18.640 15.370 12.523 332 H ILE 50 H ILE 50 -15.975 17.161 11.177 333 HA ILE 50 HA ILE 50 -13.673 16.321 12.774 334 HB ILE 50 HB ILE 50 -13.334 17.996 10.975 335 HG12 ILE 50 2HG1 ILE 50 -12.860 19.237 13.684 336 HG13 ILE 50 3HG1 ILE 50 -11.942 17.853 13.103 337 HG21 ILE 50 1HG2 ILE 50 -14.377 20.270 12.407 338 HG22 ILE 50 2HG2 ILE 50 -14.633 19.783 10.732 339 HG23 ILE 50 3HG2 ILE 50 -15.660 19.128 12.008 340 HD11 ILE 50 3HD1 ILE 50 -11.696 20.672 12.446 341 HD12 ILE 50 1HD1 ILE 50 -10.529 19.360 12.285 342 HD13 ILE 50 2HD1 ILE 50 -11.736 19.626 11.027 343 H GLY 51 H GLY 51 -13.305 17.056 14.879 344 HA2 GLY 51 2HA GLY 51 -15.757 17.872 16.290 345 HA3 GLY 51 3HA GLY 51 -14.395 17.033 17.018 346 H GLU 52 H GLU 52 -14.869 18.872 18.593 347 HA GLU 52 HA GLU 52 -12.768 20.709 18.516 348 HB2 GLU 52 2HB GLU 52 -14.191 22.820 18.322 349 HB3 GLU 52 3HB GLU 52 -13.836 21.959 16.831 350 HG2 GLU 52 2HG GLU 52 -16.030 20.994 16.796 351 HG3 GLU 52 3HG GLU 52 -16.395 21.666 18.384 352 H ARG 53 H ARG 53 -13.473 19.082 20.469 353 HA ARG 53 HA ARG 53 -13.924 18.951 22.694 354 HB2 ARG 53 2HB ARG 53 -14.097 21.960 22.704 355 HB3 ARG 53 3HB ARG 53 -13.630 20.896 24.024 356 HG2 ARG 53 2HG ARG 53 -11.662 20.228 22.510 357 HG3 ARG 53 3HG ARG 53 -12.062 21.689 21.604 358 HD2 ARG 53 2HD ARG 53 -10.382 22.271 23.188 359 HD3 ARG 53 3HD ARG 53 -11.902 22.959 23.755 360 HE ARG 53 HE ARG 53 -11.758 20.554 25.017 361 HH11 ARG 53 1HH1 ARG 53 -9.637 23.303 24.765 362 HH12 ARG 53 2HH1 ARG 53 -8.929 23.065 26.328 363 HH21 ARG 53 1HH2 ARG 53 -10.834 20.230 27.077 364 HH22 ARG 53 2HH2 ARG 53 -9.610 21.316 27.642 365 H GLY 54 H GLY 54 -16.108 19.325 20.596 366 HA2 GLY 54 2HA GLY 54 -18.280 19.576 22.541 367 HA3 GLY 54 3HA GLY 54 -18.319 20.641 21.144 368 H ALA 55 H ALA 55 -16.921 17.617 20.502 369 HA ALA 55 HA ALA 55 -19.286 16.842 18.972 370 HB1 ALA 55 1HB ALA 55 -16.924 15.139 18.736 371 HB2 ALA 55 2HB ALA 55 -17.883 15.932 17.485 372 HB3 ALA 55 3HB ALA 55 -16.626 16.831 18.335 373 H ASN 56 H ASN 56 -20.715 15.604 19.995 374 HA ASN 56 HA ASN 56 -20.057 13.996 22.255 375 HB2 ASN 56 2HB ASN 56 -22.475 14.747 20.781 376 HB3 ASN 56 3HB ASN 56 -22.525 13.103 21.411 377 HD21 ASN 56 1HD2 ASN 56 -23.604 13.063 23.236 378 HD22 ASN 56 2HD2 ASN 56 -23.487 14.217 24.517 379 H PHE 57 H PHE 57 -20.538 11.657 22.387 380 HA PHE 57 HA PHE 57 -19.087 10.231 20.405 381 HB2 PHE 57 2HB PHE 57 -19.605 8.244 21.727 382 HB3 PHE 57 3HB PHE 57 -19.110 9.566 22.780 383 HD1 PHE 57 HD2 PHE 57 -20.699 10.643 24.258 384 HD2 PHE 57 HD1 PHE 57 -21.870 7.420 21.737 385 HE1 PHE 57 HE2 PHE 57 -22.765 10.376 25.566 386 HE2 PHE 57 HE1 PHE 57 -23.939 7.148 23.040 387 HZ PHE 57 HZ PHE 57 -24.389 8.626 24.958 388 H ASP 58 H ASP 58 -22.508 10.632 21.116 389 HA ASP 58 HA ASP 58 -23.551 8.630 19.474 390 HB2 ASP 58 2HB ASP 58 -24.552 11.008 20.828 391 HB3 ASP 58 3HB ASP 58 -25.384 10.709 19.305 392 H GLN 59 H GLN 59 -22.801 12.020 18.726 393 HA GLN 59 HA GLN 59 -23.642 11.882 16.022 394 HB2 GLN 59 2HB GLN 59 -21.757 13.793 17.408 395 HB3 GLN 59 3HB GLN 59 -22.358 14.006 15.769 396 HG2 GLN 59 2HG GLN 59 -24.649 13.623 17.261 397 HG3 GLN 59 3HG GLN 59 -23.620 14.602 18.306 398 HE21 GLN 59 1HE2 GLN 59 -25.978 14.796 16.103 399 HE22 GLN 59 2HE2 GLN 59 -25.650 16.352 15.427 400 H PHE 60 H PHE 60 -20.640 11.181 17.661 401 HA PHE 60 HA PHE 60 -18.950 11.156 15.399 402 HB2 PHE 60 2HB PHE 60 -17.925 11.254 17.546 403 HB3 PHE 60 3HB PHE 60 -18.765 9.806 18.090 404 HD1 PHE 60 HD2 PHE 60 -16.900 10.423 14.934 405 HD2 PHE 60 HD1 PHE 60 -17.094 8.293 18.614 406 HE1 PHE 60 HE2 PHE 60 -14.979 9.053 14.238 407 HE2 PHE 60 HE1 PHE 60 -15.172 6.920 17.924 408 HZ PHE 60 HZ PHE 60 -14.113 7.298 15.733 409 H ILE 61 H ILE 61 -20.770 8.588 17.035 410 HA ILE 61 HA ILE 61 -19.896 6.520 15.281 411 HB ILE 61 HB ILE 61 -22.325 6.597 17.075 412 HG12 ILE 61 2HG1 ILE 61 -20.228 6.917 18.307 413 HG13 ILE 61 3HG1 ILE 61 -20.929 5.340 18.658 414 HG21 ILE 61 1HG2 ILE 61 -22.191 4.128 16.937 415 HG22 ILE 61 2HG2 ILE 61 -22.572 4.892 15.395 416 HG23 ILE 61 3HG2 ILE 61 -20.941 4.298 15.704 417 HD11 ILE 61 3HD1 ILE 61 -19.163 5.055 16.457 418 HD12 ILE 61 1HD1 ILE 61 -18.333 5.950 17.729 419 HD13 ILE 61 2HD1 ILE 61 -19.035 4.369 18.076 420 H GLU 62 H GLU 62 -22.828 8.506 15.468 421 HA GLU 62 HA GLU 62 -24.262 7.274 13.408 422 HB2 GLU 62 2HB GLU 62 -25.365 8.814 14.885 423 HB3 GLU 62 3HB GLU 62 -24.295 10.123 14.405 424 HG2 GLU 62 2HG GLU 62 -25.449 10.564 12.527 425 HG3 GLU 62 3HG GLU 62 -25.825 8.868 12.229 426 H ALA 63 H ALA 63 -21.875 9.876 13.330 427 HA ALA 63 HA ALA 63 -22.164 10.422 10.548 428 HB1 ALA 63 1HB ALA 63 -21.122 11.862 12.468 429 HB2 ALA 63 2HB ALA 63 -19.637 11.026 12.011 430 HB3 ALA 63 3HB ALA 63 -20.509 11.991 10.820 431 H ILE 64 H ILE 64 -19.650 8.710 12.411 432 HA ILE 64 HA ILE 64 -18.237 7.817 10.117 433 HB ILE 64 HB ILE 64 -17.274 8.000 12.430 434 HG12 ILE 64 2HG1 ILE 64 -16.994 5.328 11.037 435 HG13 ILE 64 3HG1 ILE 64 -16.111 6.797 10.636 436 HG21 ILE 64 1HG2 ILE 64 -17.762 6.510 14.114 437 HG22 ILE 64 2HG2 ILE 64 -19.343 6.709 13.361 438 HG23 ILE 64 3HG2 ILE 64 -18.368 5.284 13.000 439 HD11 ILE 64 3HD1 ILE 64 -15.778 4.948 12.936 440 HD12 ILE 64 1HD1 ILE 64 -14.565 5.689 11.893 441 HD13 ILE 64 2HD1 ILE 64 -15.361 6.649 13.140 442 H ASP 65 H ASP 65 -18.163 5.782 9.157 443 HA ASP 65 HA ASP 65 -20.618 4.210 9.480 444 HB2 ASP 65 2HB ASP 65 -19.323 5.159 7.211 445 HB3 ASP 65 3HB ASP 65 -18.905 3.448 7.251 446 H LYS 66 H LYS 66 -19.894 1.805 8.447 447 HA LYS 66 HA LYS 66 -17.673 0.846 10.108 448 HB2 LYS 66 2HB LYS 66 -20.072 0.539 11.105 449 HB3 LYS 66 3HB LYS 66 -20.198 -0.759 9.925 450 HG2 LYS 66 2HG LYS 66 -17.771 -1.244 11.120 451 HG3 LYS 66 3HG LYS 66 -18.770 -0.665 12.454 452 HD2 LYS 66 2HD LYS 66 -19.410 -2.827 12.561 453 HD3 LYS 66 3HD LYS 66 -20.499 -2.354 11.255 454 HE2 LYS 66 2HE LYS 66 -19.534 -3.855 9.935 455 HE3 LYS 66 3HE LYS 66 -18.010 -2.979 10.077 456 HZ1 LYS 66 3HZ LYS 66 -17.794 -5.305 10.731 457 HZ2 LYS 66 1HZ LYS 66 -18.952 -5.087 11.946 458 HZ3 LYS 66 2HZ LYS 66 -17.472 -4.272 12.031 459 H ASN 67 H ASN 67 -16.822 1.029 7.803 460 HA ASN 67 HA ASN 67 -16.448 -1.529 6.744 461 HB2 ASN 67 2HB ASN 67 -18.909 -0.592 5.978 462 HB3 ASN 67 3HB ASN 67 -17.895 -0.096 4.626 463 HD21 ASN 67 1HD2 ASN 67 -18.903 -2.843 6.569 464 HD22 ASN 67 2HD2 ASN 67 -18.610 -4.041 5.360 465 H VAL 68 H VAL 68 -16.840 1.779 5.462 466 HA VAL 68 HA VAL 68 -14.552 1.622 3.787 467 HB VAL 68 HB VAL 68 -14.845 3.982 3.393 468 HG11 VAL 68 1HG1 VAL 68 -16.500 2.273 2.483 469 HG12 VAL 68 2HG1 VAL 68 -17.622 2.876 3.705 470 HG13 VAL 68 3HG1 VAL 68 -17.002 3.964 2.462 471 HG21 VAL 68 3HG2 VAL 68 -16.595 3.890 5.840 472 HG22 VAL 68 1HG2 VAL 68 -15.155 4.870 5.563 473 HG23 VAL 68 2HG2 VAL 68 -16.641 5.217 4.680 474 HA PRO 69 HA PRO 69 -11.251 2.555 6.529 475 HB2 PRO 69 2HB PRO 69 -9.599 3.947 4.884 476 HB3 PRO 69 3HB PRO 69 -9.841 2.201 4.750 477 HG2 PRO 69 2HG PRO 69 -11.081 4.413 3.158 478 HG3 PRO 69 3HG PRO 69 -10.434 2.859 2.600 479 HD2 PRO 69 2HD PRO 69 -13.084 3.296 2.939 480 HD3 PRO 69 3HD PRO 69 -12.337 1.707 3.201 481 H CYS 70 H CYS 70 -11.224 3.990 8.131 482 HA CYS 70 HA CYS 70 -11.420 6.848 7.486 483 HB2 CYS 70 2HB CYS 70 -13.002 5.351 9.575 484 HB3 CYS 70 3HB CYS 70 -12.800 7.098 9.607 485 HG CYS 70 HG CYS 70 -15.191 5.566 8.259 486 H TYR 71 H TYR 71 -10.315 8.239 8.877 487 HA TYR 71 HA TYR 71 -8.607 6.945 10.895 488 HB2 TYR 71 2HB TYR 71 -7.662 9.185 9.109 489 HB3 TYR 71 3HB TYR 71 -6.698 8.180 10.185 490 HD1 TYR 71 HD1 TYR 71 -7.103 5.517 9.608 491 HD2 TYR 71 HD2 TYR 71 -7.333 8.768 6.874 492 HE1 TYR 71 HE1 TYR 71 -6.624 3.979 7.749 493 HE2 TYR 71 HE2 TYR 71 -6.856 7.240 5.007 494 HH TYR 71 HH TYR 71 -5.570 4.278 5.340 495 H ALA 72 H ALA 72 -8.599 7.907 12.825 496 HA ALA 72 HA ALA 72 -9.744 10.617 13.023 497 HB1 ALA 72 1HB ALA 72 -9.785 8.764 15.352 498 HB2 ALA 72 2HB ALA 72 -10.912 10.046 14.906 499 HB3 ALA 72 3HB ALA 72 -10.940 8.508 14.044 500 H ALA 73 H ALA 73 -8.421 12.144 13.744 501 HA ALA 73 HA ALA 73 -5.960 11.329 15.133 502 HB1 ALA 73 1HB ALA 73 -5.694 14.002 14.408 503 HB2 ALA 73 2HB ALA 73 -4.967 12.607 13.610 504 HB3 ALA 73 3HB ALA 73 -6.512 13.241 13.043 505 H PHE 74 H PHE 74 -6.054 11.546 17.266 506 HA PHE 74 HA PHE 74 -7.605 13.784 18.388 507 HB2 PHE 74 2HB PHE 74 -7.033 11.016 19.402 508 HB3 PHE 74 3HB PHE 74 -7.438 12.307 20.527 509 HD1 PHE 74 HD1 PHE 74 -8.705 11.100 17.227 510 HD2 PHE 74 HD2 PHE 74 -9.621 12.315 21.202 511 HE1 PHE 74 HE1 PHE 74 -11.097 10.724 16.788 512 HE2 PHE 74 HE2 PHE 74 -12.013 11.939 20.770 513 HZ PHE 74 HZ PHE 74 -12.754 11.142 18.561 514 H ASP 75 H ASP 75 -6.551 15.334 19.442 515 HA ASP 75 HA ASP 75 -3.700 14.934 20.009 516 HB2 ASP 75 2HB ASP 75 -3.952 16.829 18.643 517 HB3 ASP 75 3HB ASP 75 -5.380 17.379 19.517 518 H PHE 76 H PHE 76 -3.059 14.633 22.029 519 HA PHE 76 HA PHE 76 -4.642 15.798 24.213 520 HB2 PHE 76 2HB PHE 76 -5.066 13.296 23.843 521 HB3 PHE 76 3HB PHE 76 -3.419 13.051 24.416 522 HD1 PHE 76 HD1 PHE 76 -2.817 13.853 26.729 523 HD2 PHE 76 HD2 PHE 76 -6.833 13.606 25.341 524 HE1 PHE 76 HE1 PHE 76 -3.620 13.892 29.055 525 HE2 PHE 76 HE2 PHE 76 -7.643 13.646 27.664 526 HZ PHE 76 HZ PHE 76 -6.035 13.790 29.524 527 H GLU 77 H GLU 77 -3.480 16.736 25.801 528 HA GLU 77 HA GLU 77 -0.551 16.559 25.585 529 HB2 GLU 77 2HB GLU 77 -0.648 18.755 26.898 530 HB3 GLU 77 3HB GLU 77 -1.158 18.796 25.216 531 HG2 GLU 77 2HG GLU 77 -3.445 18.880 25.817 532 HG3 GLU 77 3HG GLU 77 -3.085 18.505 27.501 533 H TYR 78 H TYR 78 0.710 16.314 27.435 534 HA TYR 78 HA TYR 78 -0.574 15.960 30.011 535 HB2 TYR 78 2HB TYR 78 0.272 13.686 30.341 536 HB3 TYR 78 3HB TYR 78 -0.836 13.748 28.976 537 HD1 TYR 78 HD2 TYR 78 0.204 13.914 26.628 538 HD2 TYR 78 HD1 TYR 78 2.406 12.773 30.085 539 HE1 TYR 78 HE2 TYR 78 1.908 12.873 25.192 540 HE2 TYR 78 HE1 TYR 78 4.117 11.731 28.659 541 HH TYR 78 HH TYR 78 4.779 12.286 25.876 542 H THR 79 H THR 79 0.950 15.766 31.764 543 HA THR 79 HA THR 79 3.686 16.596 31.054 544 HB THR 79 HB THR 79 2.448 18.549 31.870 545 HG1 THR 79 HG1 THR 79 3.912 19.013 33.646 546 HG21 THR 79 3HG2 THR 79 2.243 17.663 34.640 547 HG22 THR 79 1HG2 THR 79 1.184 16.768 33.552 548 HG23 THR 79 2HG2 THR 79 1.075 18.526 33.641 549 H THR 80 H THR 80 3.033 13.954 31.504 550 HA THR 80 HA THR 80 3.506 13.243 34.250 551 HB THR 80 HB THR 80 3.280 11.642 31.711 552 HG1 THR 80 HG1 THR 80 1.774 11.485 34.119 553 HG21 THR 80 3HG2 THR 80 3.426 9.617 33.192 554 HG22 THR 80 1HG2 THR 80 4.050 10.669 34.461 555 HG23 THR 80 2HG2 THR 80 4.951 10.471 32.958 556 H ASN 81 H ASN 81 5.370 13.027 31.227 557 HA ASN 81 HA ASN 81 7.673 11.854 32.242 558 HB2 ASN 81 2HB ASN 81 8.840 12.873 30.312 559 HB3 ASN 81 3HB ASN 81 7.310 12.133 29.849 560 HD21 ASN 81 1HD2 ASN 81 5.581 13.443 29.259 561 HD22 ASN 81 2HD2 ASN 81 5.795 15.104 28.832 562 H ASP 82 H ASP 82 6.691 15.241 32.204 563 HA ASP 82 HA ASP 82 7.991 16.007 34.497 564 HB2 ASP 82 2HB ASP 82 10.145 15.602 33.688 565 HB3 ASP 82 3HB ASP 82 9.747 16.169 32.068 566 H GLY 83 H GLY 83 7.618 17.192 31.155 567 HA2 GLY 83 2HA GLY 83 6.280 19.577 32.280 568 HA3 GLY 83 3HA GLY 83 7.292 19.631 30.844 569 HA PRO 84 HA PRO 84 2.692 18.773 29.901 570 HB2 PRO 84 2HB PRO 84 1.956 21.262 29.106 571 HB3 PRO 84 3HB PRO 84 1.798 20.701 30.775 572 HG2 PRO 84 2HG PRO 84 3.930 22.403 29.542 573 HG3 PRO 84 3HG PRO 84 3.113 22.590 31.105 574 HD2 PRO 84 2HD PRO 84 5.585 21.508 30.873 575 HD3 PRO 84 3HD PRO 84 4.435 21.002 32.128 576 H ARG 85 H ARG 85 3.254 17.619 28.094 577 HA ARG 85 HA ARG 85 4.129 19.151 25.737 578 HB2 ARG 85 2HB ARG 85 5.247 16.887 26.852 579 HB3 ARG 85 3HB ARG 85 4.281 16.239 25.533 580 HG2 ARG 85 2HG ARG 85 6.545 16.664 24.799 581 HG3 ARG 85 3HG ARG 85 5.420 17.740 23.969 582 HD2 ARG 85 2HD ARG 85 6.538 18.796 26.473 583 HD3 ARG 85 3HD ARG 85 7.712 18.541 25.182 584 HE ARG 85 HE ARG 85 5.767 20.600 25.321 585 HH11 ARG 85 1HH1 ARG 85 7.385 18.478 23.085 586 HH12 ARG 85 2HH1 ARG 85 7.215 19.553 21.738 587 HH21 ARG 85 1HH2 ARG 85 5.536 22.025 23.555 588 HH22 ARG 85 2HH2 ARG 85 6.164 21.571 22.006 589 H ASP 86 H ASP 86 3.424 17.903 23.632 590 HA ASP 86 HA ASP 86 0.591 17.149 23.888 591 HB2 ASP 86 2HB ASP 86 0.238 18.350 21.681 592 HB3 ASP 86 3HB ASP 86 0.518 19.383 23.080 593 H LYS 87 H LYS 87 -0.035 15.406 22.748 594 HA LYS 87 HA LYS 87 1.749 14.373 20.658 595 HB2 LYS 87 2HB LYS 87 1.608 13.268 23.199 596 HB3 LYS 87 3HB LYS 87 0.533 12.253 22.247 597 HG2 LYS 87 2HG LYS 87 2.316 11.142 21.553 598 HG3 LYS 87 3HG LYS 87 2.809 12.588 20.669 599 HD2 LYS 87 2HD LYS 87 3.857 13.352 22.879 600 HD3 LYS 87 3HD LYS 87 3.654 11.680 23.405 601 HE2 LYS 87 2HE LYS 87 5.412 11.002 22.211 602 HE3 LYS 87 3HE LYS 87 4.848 11.847 20.770 603 HZ1 LYS 87 3HZ LYS 87 5.924 13.552 22.846 604 HZ2 LYS 87 1HZ LYS 87 6.176 13.589 21.173 605 HZ3 LYS 87 2HZ LYS 87 7.049 12.507 22.137 606 H LEU 88 H LEU 88 0.724 13.587 18.904 607 HA LEU 88 HA LEU 88 -2.215 13.486 19.008 608 HB2 LEU 88 2HB LEU 88 -0.617 14.956 17.366 609 HB3 LEU 88 3HB LEU 88 -0.913 13.527 16.378 610 HG LEU 88 HG LEU 88 -3.106 15.199 17.595 611 HD11 LEU 88 1HD1 LEU 88 -2.276 16.732 16.125 612 HD12 LEU 88 2HD1 LEU 88 -3.307 15.806 15.034 613 HD13 LEU 88 3HD1 LEU 88 -1.570 15.507 15.070 614 HD21 LEU 88 3HD2 LEU 88 -3.746 13.743 15.201 615 HD22 LEU 88 1HD2 LEU 88 -4.496 13.665 16.796 616 HD23 LEU 88 2HD2 LEU 88 -3.099 12.654 16.428 617 H ILE 89 H ILE 89 -3.238 11.625 18.622 618 HA ILE 89 HA ILE 89 -1.644 9.364 17.605 619 HB ILE 89 HB ILE 89 -4.088 9.162 19.362 620 HG12 ILE 89 2HG1 ILE 89 -2.053 8.350 20.949 621 HG13 ILE 89 3HG1 ILE 89 -1.234 9.599 20.019 622 HG21 ILE 89 1HG2 ILE 89 -2.946 6.861 19.758 623 HG22 ILE 89 2HG2 ILE 89 -3.883 7.128 18.288 624 HG23 ILE 89 3HG2 ILE 89 -2.122 7.212 18.238 625 HD11 ILE 89 3HD1 ILE 89 -3.765 9.973 21.602 626 HD12 ILE 89 1HD1 ILE 89 -2.148 10.462 22.107 627 HD13 ILE 89 2HD1 ILE 89 -2.902 11.223 20.705 628 H LEU 90 H LEU 90 -2.631 7.895 16.177 629 HA LEU 90 HA LEU 90 -5.082 8.897 14.883 630 HB2 LEU 90 2HB LEU 90 -3.167 9.281 13.457 631 HB3 LEU 90 3HB LEU 90 -2.672 7.598 13.621 632 HG LEU 90 HG LEU 90 -5.365 8.037 12.500 633 HD11 LEU 90 1HD1 LEU 90 -3.629 9.797 11.556 634 HD12 LEU 90 2HD1 LEU 90 -4.787 8.977 10.510 635 HD13 LEU 90 3HD1 LEU 90 -3.120 8.409 10.595 636 HD21 LEU 90 3HD2 LEU 90 -3.801 5.893 12.791 637 HD22 LEU 90 1HD2 LEU 90 -3.269 6.410 11.190 638 HD23 LEU 90 2HD2 LEU 90 -4.972 6.051 11.480 639 H ILE 91 H ILE 91 -6.734 7.543 15.016 640 HA ILE 91 HA ILE 91 -6.173 4.663 15.308 641 HB ILE 91 HB ILE 91 -8.530 6.211 16.389 642 HG12 ILE 91 2HG1 ILE 91 -7.297 5.021 18.520 643 HG13 ILE 91 3HG1 ILE 91 -5.919 5.428 17.503 644 HG21 ILE 91 1HG2 ILE 91 -9.436 4.139 15.979 645 HG22 ILE 91 2HG2 ILE 91 -7.905 3.301 16.225 646 HG23 ILE 91 3HG2 ILE 91 -8.807 3.914 17.611 647 HD11 ILE 91 3HD1 ILE 91 -7.945 7.260 18.728 648 HD12 ILE 91 1HD1 ILE 91 -6.193 7.259 18.921 649 HD13 ILE 91 2HD1 ILE 91 -6.912 7.769 17.393 650 H SER 92 H SER 92 -7.001 3.326 13.831 651 HA SER 92 HA SER 92 -8.797 4.458 11.808 652 HB2 SER 92 2HB SER 92 -7.938 1.869 11.039 653 HB3 SER 92 3HB SER 92 -7.441 3.419 10.360 654 HG SER 92 HG SER 92 -5.623 3.323 11.444 655 H TRP 93 H TRP 93 -10.862 3.881 11.728 656 HA TRP 93 HA TRP 93 -11.703 1.502 13.249 657 HB2 TRP 93 2HB TRP 93 -12.668 3.473 14.212 658 HB3 TRP 93 3HB TRP 93 -13.167 4.072 12.633 659 HD1 TRP 93 HD1 TRP 93 -15.263 2.778 11.454 660 HE1 TRP 93 HE1 TRP 93 -17.244 1.517 12.508 661 HE3 TRP 93 HE3 TRP 93 -13.354 2.042 16.139 662 HZ2 TRP 93 HZ2 TRP 93 -17.909 0.364 14.997 663 HZ3 TRP 93 HZ3 TRP 93 -14.727 0.852 17.798 664 HH2 TRP 93 HH2 TRP 93 -16.957 0.031 17.237 665 H ASN 94 H ASN 94 -12.160 -0.172 11.991 666 HA ASN 94 HA ASN 94 -14.132 -0.191 10.036 667 HB2 ASN 94 2HB ASN 94 -12.434 -0.687 8.069 668 HB3 ASN 94 3HB ASN 94 -12.946 0.959 8.431 669 HD21 ASN 94 1HD2 ASN 94 -10.418 -1.408 9.118 670 HD22 ASN 94 2HD2 ASN 94 -9.143 -0.256 9.302 671 HA PRO 95 HA PRO 95 -13.646 -4.522 10.540 672 HB2 PRO 95 2HB PRO 95 -14.515 -5.487 8.155 673 HB3 PRO 95 3HB PRO 95 -15.600 -4.782 9.360 674 HG2 PRO 95 2HG PRO 95 -14.434 -3.535 6.900 675 HG3 PRO 95 3HG PRO 95 -16.087 -3.428 7.533 676 HD2 PRO 95 2HD PRO 95 -14.261 -1.460 7.886 677 HD3 PRO 95 3HD PRO 95 -15.524 -1.817 9.082 678 H ASP 96 H ASP 96 -11.925 -5.819 10.507 679 HA ASP 96 HA ASP 96 -9.674 -5.310 8.875 680 HB2 ASP 96 2HB ASP 96 -8.793 -7.443 9.847 681 HB3 ASP 96 3HB ASP 96 -9.359 -6.287 11.051 682 H SER 97 H SER 97 -12.228 -7.749 8.744 683 HA SER 97 HA SER 97 -11.145 -8.681 6.172 684 HB2 SER 97 2HB SER 97 -12.488 -10.030 8.413 685 HB3 SER 97 3HB SER 97 -13.102 -10.488 6.825 686 HG SER 97 HG SER 97 -10.958 -11.398 7.971 687 H GLY 98 H GLY 98 -13.049 -6.356 6.997 688 HA2 GLY 98 2HA GLY 98 -15.603 -6.807 5.991 689 HA3 GLY 98 3HA GLY 98 -14.789 -5.249 5.990 690 H ALA 99 H ALA 99 -13.779 -4.517 4.130 691 HA ALA 99 HA ALA 99 -14.344 -6.102 1.709 692 HB1 ALA 99 1HB ALA 99 -15.686 -4.277 1.393 693 HB2 ALA 99 2HB ALA 99 -14.616 -3.195 2.287 694 HB3 ALA 99 3HB ALA 99 -14.196 -3.697 0.649 695 HA PRO 100 HA PRO 100 -10.085 -6.091 0.650 696 HB2 PRO 100 2HB PRO 100 -10.194 -5.894 -2.056 697 HB3 PRO 100 3HB PRO 100 -10.651 -7.360 -1.180 698 HG2 PRO 100 2HG PRO 100 -12.396 -5.201 -2.301 699 HG3 PRO 100 3HG PRO 100 -12.617 -6.959 -2.355 700 HD2 PRO 100 2HD PRO 100 -13.927 -5.380 -0.588 701 HD3 PRO 100 3HD PRO 100 -13.449 -7.047 -0.207 702 H ARG 101 H ARG 101 -12.036 -3.537 -0.838 703 HA ARG 101 HA ARG 101 -9.856 -1.889 -1.590 704 HB2 ARG 101 2HB ARG 101 -12.753 -1.750 -1.628 705 HB3 ARG 101 3HB ARG 101 -12.045 -0.207 -1.170 706 HG2 ARG 101 2HG ARG 101 -12.017 0.094 -3.402 707 HG3 ARG 101 3HG ARG 101 -10.492 -0.784 -3.268 708 HD2 ARG 101 2HD ARG 101 -11.292 -2.362 -4.607 709 HD3 ARG 101 3HD ARG 101 -12.567 -2.700 -3.438 710 HE ARG 101 HE ARG 101 -13.445 -0.509 -4.825 711 HH11 ARG 101 1HH1 ARG 101 -12.441 -3.739 -5.653 712 HH12 ARG 101 2HH1 ARG 101 -13.471 -3.843 -7.042 713 HH21 ARG 101 1HH2 ARG 101 -14.805 -0.634 -6.651 714 HH22 ARG 101 2HH2 ARG 101 -14.815 -2.076 -7.610 715 H THR 102 H THR 102 -12.004 -1.900 1.234 716 HA THR 102 HA THR 102 -10.848 0.370 2.476 717 HB THR 102 HB THR 102 -13.073 -0.358 3.110 718 HG1 THR 102 HG1 THR 102 -11.449 -0.840 5.382 719 HG21 THR 102 3HG2 THR 102 -12.729 -2.781 2.802 720 HG22 THR 102 1HG2 THR 102 -13.461 -2.407 4.362 721 HG23 THR 102 2HG2 THR 102 -11.748 -2.813 4.267 722 H LYS 103 H LYS 103 -10.204 -3.088 2.664 723 HA LYS 103 HA LYS 103 -8.444 -3.006 4.871 724 HB2 LYS 103 2HB LYS 103 -9.406 -5.103 4.189 725 HB3 LYS 103 3HB LYS 103 -8.698 -4.964 2.585 726 HG2 LYS 103 2HG LYS 103 -7.448 -6.559 3.862 727 HG3 LYS 103 3HG LYS 103 -6.452 -5.125 3.603 728 HD2 LYS 103 2HD LYS 103 -6.728 -4.403 5.824 729 HD3 LYS 103 3HD LYS 103 -8.087 -5.496 6.098 730 HE2 LYS 103 2HE LYS 103 -6.470 -7.400 5.760 731 HE3 LYS 103 3HE LYS 103 -5.175 -6.204 5.796 732 HZ1 LYS 103 3HZ LYS 103 -6.456 -7.426 7.958 733 HZ2 LYS 103 1HZ LYS 103 -6.837 -5.779 8.009 734 HZ3 LYS 103 2HZ LYS 103 -5.220 -6.272 7.993 735 H MET 104 H MET 104 -7.839 -2.975 1.366 736 HA MET 104 HA MET 104 -5.012 -2.733 1.640 737 HB2 MET 104 2HB MET 104 -6.181 -3.650 -0.375 738 HB3 MET 104 3HB MET 104 -6.715 -2.018 -0.752 739 HG2 MET 104 2HG MET 104 -4.784 -1.520 -1.713 740 HG3 MET 104 3HG MET 104 -3.868 -2.102 -0.326 741 HE1 MET 104 3HE MET 104 -3.895 -2.358 -3.891 742 HE2 MET 104 1HE MET 104 -4.237 -4.024 -4.360 743 HE3 MET 104 2HE MET 104 -5.530 -3.001 -3.732 744 H LEU 105 H LEU 105 -7.654 -0.445 1.134 745 HA LEU 105 HA LEU 105 -6.195 1.850 0.584 746 HB2 LEU 105 2HB LEU 105 -8.843 1.300 1.816 747 HB3 LEU 105 3HB LEU 105 -8.194 2.934 1.942 748 HG LEU 105 HG LEU 105 -8.543 1.503 -0.685 749 HD11 LEU 105 1HD1 LEU 105 -10.671 2.295 -0.919 750 HD12 LEU 105 2HD1 LEU 105 -10.423 3.622 0.216 751 HD13 LEU 105 3HD1 LEU 105 -10.656 1.981 0.817 752 HD21 LEU 105 3HD2 LEU 105 -6.952 3.380 -0.628 753 HD22 LEU 105 1HD2 LEU 105 -8.229 4.424 -0.003 754 HD23 LEU 105 2HD2 LEU 105 -8.369 3.732 -1.619 755 H TYR 106 H TYR 106 -6.692 0.182 3.602 756 HA TYR 106 HA TYR 106 -6.024 2.206 5.407 757 HB2 TYR 106 2HB TYR 106 -6.939 0.183 6.266 758 HB3 TYR 106 3HB TYR 106 -5.668 -0.788 5.531 759 HD1 TYR 106 HD1 TYR 106 -5.899 2.118 7.881 760 HD2 TYR 106 HD2 TYR 106 -4.105 -1.635 6.988 761 HE1 TYR 106 HE1 TYR 106 -4.603 2.248 9.968 762 HE2 TYR 106 HE2 TYR 106 -2.805 -1.516 9.073 763 HH TYR 106 HH TYR 106 -2.533 -0.422 11.013 764 H SER 107 H SER 107 -3.937 -0.197 3.821 765 HA SER 107 HA SER 107 -1.542 0.933 4.941 766 HB2 SER 107 2HB SER 107 -0.403 -0.689 3.381 767 HB3 SER 107 3HB SER 107 -1.540 -1.429 4.508 768 HG SER 107 HG SER 107 -3.002 -1.670 2.873 769 H SER 108 H SER 108 -3.330 1.201 1.948 770 HA SER 108 HA SER 108 -1.305 2.454 0.415 771 HB2 SER 108 2HB SER 108 -3.440 1.380 -0.456 772 HB3 SER 108 3HB SER 108 -4.279 2.844 0.054 773 HG SER 108 HG SER 108 -2.558 2.431 -2.071 774 H SER 109 H SER 109 -3.392 3.574 2.905 775 HA SER 109 HA SER 109 -2.826 6.377 2.231 776 HB2 SER 109 2HB SER 109 -5.193 5.209 2.975 777 HB3 SER 109 3HB SER 109 -4.610 5.854 4.510 778 HG SER 109 HG SER 109 -5.261 7.717 3.819 779 H ARG 110 H ARG 110 -2.180 3.875 4.533 780 HA ARG 110 HA ARG 110 -1.342 5.449 6.712 781 HB2 ARG 110 2HB ARG 110 -1.299 2.659 5.961 782 HB3 ARG 110 3HB ARG 110 0.218 3.116 6.725 783 HG2 ARG 110 2HG ARG 110 -1.553 4.264 8.412 784 HG3 ARG 110 3HG ARG 110 -2.474 2.862 7.866 785 HD2 ARG 110 2HD ARG 110 -1.357 1.682 9.391 786 HD3 ARG 110 3HD ARG 110 0.056 1.851 8.349 787 HE ARG 110 HE ARG 110 -0.237 4.108 10.044 788 HH11 ARG 110 1HH1 ARG 110 0.782 0.779 10.024 789 HH12 ARG 110 2HH1 ARG 110 1.884 0.972 11.347 790 HH21 ARG 110 1HH2 ARG 110 1.211 4.375 11.787 791 HH22 ARG 110 2HH2 ARG 110 2.126 3.018 12.349 792 H ASP 111 H ASP 111 0.385 4.189 3.899 793 HA ASP 111 HA ASP 111 2.979 4.923 4.679 794 HB2 ASP 111 2HB ASP 111 1.923 3.592 2.551 795 HB3 ASP 111 3HB ASP 111 2.381 5.118 1.798 796 H ALA 112 H ALA 112 0.488 6.692 2.893 797 HA ALA 112 HA ALA 112 2.158 9.005 2.514 798 HB1 ALA 112 1HB ALA 112 -0.530 8.155 1.709 799 HB2 ALA 112 2HB ALA 112 -0.363 9.886 2.007 800 HB3 ALA 112 3HB ALA 112 0.680 9.089 0.829 801 H LEU 113 H LEU 113 0.004 7.849 4.945 802 HA LEU 113 HA LEU 113 -0.468 10.443 6.126 803 HB2 LEU 113 2HB LEU 113 -1.301 7.655 6.653 804 HB3 LEU 113 3HB LEU 113 -1.245 8.737 8.043 805 HG LEU 113 HG LEU 113 -2.674 9.809 5.711 806 HD11 LEU 113 1HD1 LEU 113 -3.245 7.136 6.657 807 HD12 LEU 113 2HD1 LEU 113 -3.914 8.015 5.283 808 HD13 LEU 113 3HD1 LEU 113 -4.617 8.221 6.887 809 HD21 LEU 113 3HD2 LEU 113 -4.351 9.996 7.787 810 HD22 LEU 113 1HD2 LEU 113 -3.031 11.133 7.513 811 HD23 LEU 113 2HD2 LEU 113 -2.831 9.811 8.664 812 H VAL 114 H VAL 114 1.804 7.846 6.451 813 HA VAL 114 HA VAL 114 2.751 8.158 9.022 814 HB VAL 114 HB VAL 114 4.006 7.285 6.469 815 HG11 VAL 114 1HG1 VAL 114 5.861 8.473 7.238 816 HG12 VAL 114 2HG1 VAL 114 5.520 8.094 8.928 817 HG13 VAL 114 3HG1 VAL 114 6.127 6.839 7.846 818 HG21 VAL 114 3HG2 VAL 114 3.885 5.219 7.387 819 HG22 VAL 114 1HG2 VAL 114 4.288 5.796 9.004 820 HG23 VAL 114 2HG2 VAL 114 2.648 5.983 8.384 821 HA PRO 115 HA PRO 115 5.782 11.588 7.449 822 HB2 PRO 115 2HB PRO 115 5.265 12.662 5.010 823 HB3 PRO 115 3HB PRO 115 6.313 11.257 5.239 824 HG2 PRO 115 2HG PRO 115 3.442 11.362 4.398 825 HG3 PRO 115 3HG PRO 115 4.761 10.368 3.753 826 HD2 PRO 115 2HD PRO 115 2.923 9.400 5.491 827 HD3 PRO 115 3HD PRO 115 4.603 8.827 5.460 828 H LEU 116 H LEU 116 2.398 11.794 6.493 829 HA LEU 116 HA LEU 116 2.125 14.596 6.755 830 HB2 LEU 116 2HB LEU 116 0.490 12.411 6.061 831 HB3 LEU 116 3HB LEU 116 -0.311 13.233 7.399 832 HG LEU 116 HG LEU 116 -1.139 14.035 5.259 833 HD11 LEU 116 1HD1 LEU 116 -1.388 16.061 6.132 834 HD12 LEU 116 2HD1 LEU 116 0.321 16.436 5.914 835 HD13 LEU 116 3HD1 LEU 116 -0.218 15.598 7.369 836 HD21 LEU 116 3HD2 LEU 116 0.868 13.578 3.925 837 HD22 LEU 116 1HD2 LEU 116 1.701 14.906 4.732 838 HD23 LEU 116 2HD2 LEU 116 0.301 15.234 3.710 839 H THR 117 H THR 117 2.225 12.017 9.046 840 HA THR 117 HA THR 117 1.690 13.950 11.200 841 HB THR 117 HB THR 117 0.719 12.029 12.525 842 HG1 THR 117 HG1 THR 117 0.175 10.771 10.068 843 HG21 THR 117 3HG2 THR 117 -1.016 12.425 10.138 844 HG22 THR 117 1HG2 THR 117 -0.528 13.847 11.059 845 HG23 THR 117 2HG2 THR 117 -1.411 12.543 11.853 846 H GLN 118 H GLN 118 4.181 13.847 10.694 847 HA GLN 118 HA GLN 118 5.779 11.723 11.449 848 HB2 GLN 118 2HB GLN 118 6.111 14.601 11.113 849 HB3 GLN 118 3HB GLN 118 7.180 13.939 12.342 850 HG2 GLN 118 2HG GLN 118 6.945 12.852 9.548 851 HG3 GLN 118 3HG GLN 118 8.156 14.026 10.060 852 HE21 GLN 118 1HE2 GLN 118 7.549 10.817 9.591 853 HE22 GLN 118 2HE2 GLN 118 8.805 10.145 10.568 854 H GLY 119 H GLY 119 6.045 10.667 13.297 855 HA2 GLY 119 2HA GLY 119 6.354 10.332 15.571 856 HA3 GLY 119 3HA GLY 119 6.109 12.054 15.826 857 H PHE 120 H PHE 120 4.012 9.586 14.359 858 HA PHE 120 HA PHE 120 2.049 10.112 16.488 859 HB2 PHE 120 2HB PHE 120 0.319 10.449 15.006 860 HB3 PHE 120 3HB PHE 120 1.651 11.140 14.086 861 HD1 PHE 120 HD2 PHE 120 3.001 9.062 12.808 862 HD2 PHE 120 HD1 PHE 120 -1.155 9.304 13.691 863 HE1 PHE 120 HE2 PHE 120 2.521 7.518 10.954 864 HE2 PHE 120 HE1 PHE 120 -1.642 7.760 11.839 865 HZ PHE 120 HZ PHE 120 0.197 6.866 10.466 866 H GLN 121 H GLN 121 0.488 8.388 16.821 867 HA GLN 121 HA GLN 121 1.654 5.761 16.201 868 HB2 GLN 121 2HB GLN 121 0.407 6.915 18.584 869 HB3 GLN 121 3HB GLN 121 -0.224 5.327 18.169 870 HG2 GLN 121 2HG GLN 121 1.506 4.760 19.545 871 HG3 GLN 121 3HG GLN 121 2.300 4.697 17.973 872 HE21 GLN 121 1HE2 GLN 121 3.502 6.617 17.313 873 HE22 GLN 121 2HE2 GLN 121 4.299 7.557 18.524 874 H GLY 122 H GLY 122 0.706 5.005 14.398 875 HA2 GLY 122 2HA GLY 122 -2.177 5.376 14.032 876 HA3 GLY 122 3HA GLY 122 -1.042 4.824 12.810 877 H ILE 123 H ILE 123 -3.470 3.888 14.878 878 HA ILE 123 HA ILE 123 -2.726 1.061 14.549 879 HB ILE 123 HB ILE 123 -4.137 2.134 16.990 880 HG12 ILE 123 2HG1 ILE 123 -1.691 1.180 17.830 881 HG13 ILE 123 3HG1 ILE 123 -1.285 2.000 16.326 882 HG21 ILE 123 1HG2 ILE 123 -3.922 -0.442 15.926 883 HG22 ILE 123 2HG2 ILE 123 -2.795 -0.393 17.281 884 HG23 ILE 123 3HG2 ILE 123 -4.494 0.009 17.532 885 HD11 ILE 123 3HD1 ILE 123 -2.266 4.049 17.142 886 HD12 ILE 123 1HD1 ILE 123 -2.787 3.239 18.620 887 HD13 ILE 123 2HD1 ILE 123 -1.067 3.450 18.289 888 H GLN 124 H GLN 124 -4.314 -0.259 13.836 889 HA GLN 124 HA GLN 124 -6.957 0.959 13.401 890 HB2 GLN 124 2HB GLN 124 -7.218 -0.591 11.530 891 HB3 GLN 124 3HB GLN 124 -5.765 0.381 11.340 892 HG2 GLN 124 2HG GLN 124 -4.860 -1.611 10.826 893 HG3 GLN 124 3HG GLN 124 -4.703 -1.733 12.577 894 HE21 GLN 124 1HE2 GLN 124 -4.794 -3.951 12.618 895 HE22 GLN 124 2HE2 GLN 124 -6.232 -4.841 12.266 896 H ALA 125 H ALA 125 -8.617 0.167 14.502 897 HA ALA 125 HA ALA 125 -8.693 -2.655 15.220 898 HB1 ALA 125 1HB ALA 125 -9.430 -1.886 17.592 899 HB2 ALA 125 2HB ALA 125 -7.713 -1.991 17.202 900 HB3 ALA 125 3HB ALA 125 -8.523 -0.424 17.200 901 H ASN 126 H ASN 126 -10.688 -3.463 15.021 902 HA ASN 126 HA ASN 126 -12.880 -1.588 14.524 903 HB2 ASN 126 2HB ASN 126 -13.913 -3.250 13.262 904 HB3 ASN 126 3HB ASN 126 -12.206 -3.559 12.958 905 HD21 ASN 126 1HD2 ASN 126 -11.203 -5.322 13.990 906 HD22 ASN 126 2HD2 ASN 126 -12.130 -6.648 14.596 907 H ASP 127 H ASP 127 -14.987 -1.987 15.439 908 HA ASP 127 HA ASP 127 -16.426 -2.369 17.160 909 HB2 ASP 127 2HB ASP 127 -15.270 -4.802 16.673 910 HB3 ASP 127 3HB ASP 127 -14.917 -4.577 18.384 911 H ALA 128 H ALA 128 -16.001 -3.263 19.772 912 HA ALA 128 HA ALA 128 -15.192 -0.971 21.086 913 HB1 ALA 128 1HB ALA 128 -15.958 -3.649 21.826 914 HB2 ALA 128 2HB ALA 128 -14.686 -3.040 22.886 915 HB3 ALA 128 3HB ALA 128 -16.186 -2.133 22.697 916 H SER 129 H SER 129 -13.271 -3.577 19.843 917 HA SER 129 HA SER 129 -10.958 -3.292 21.390 918 HB2 SER 129 2HB SER 129 -11.581 -5.079 19.600 919 HB3 SER 129 3HB SER 129 -10.826 -3.962 18.463 920 HG SER 129 HG SER 129 -9.671 -5.650 20.235 921 H GLY 130 H GLY 130 -12.281 -1.293 18.910 922 HA2 GLY 130 2HA GLY 130 -9.751 0.197 18.682 923 HA3 GLY 130 3HA GLY 130 -11.089 0.289 17.546 924 H LEU 131 H LEU 131 -11.565 0.373 21.006 925 HA LEU 131 HA LEU 131 -11.903 3.276 20.955 926 HB2 LEU 131 2HB LEU 131 -14.034 1.507 22.114 927 HB3 LEU 131 3HB LEU 131 -14.099 3.242 21.812 928 HG LEU 131 HG LEU 131 -13.925 1.221 19.590 929 HD11 LEU 131 1HD1 LEU 131 -16.211 1.028 19.471 930 HD12 LEU 131 2HD1 LEU 131 -16.494 2.507 20.388 931 HD13 LEU 131 3HD1 LEU 131 -15.959 1.046 21.216 932 HD21 LEU 131 3HD2 LEU 131 -15.333 3.690 19.085 933 HD22 LEU 131 1HD2 LEU 131 -13.956 2.985 18.238 934 HD23 LEU 131 2HD2 LEU 131 -13.693 3.995 19.660 935 H ASP 132 H ASP 132 -10.131 1.159 22.220 936 HA ASP 132 HA ASP 132 -10.700 1.345 25.040 937 HB2 ASP 132 2HB ASP 132 -8.429 0.183 23.438 938 HB3 ASP 132 3HB ASP 132 -8.365 0.279 25.196 939 H PHE 133 H PHE 133 -10.626 3.454 25.693 940 HA PHE 133 HA PHE 133 -8.820 5.407 24.893 941 HB2 PHE 133 2HB PHE 133 -10.361 5.043 27.459 942 HB3 PHE 133 3HB PHE 133 -9.359 6.460 27.160 943 HD1 PHE 133 HD2 PHE 133 -9.991 8.104 25.495 944 HD2 PHE 133 HD1 PHE 133 -12.427 4.700 26.269 945 HE1 PHE 133 HE2 PHE 133 -11.857 9.170 24.297 946 HE2 PHE 133 HE1 PHE 133 -14.296 5.761 25.071 947 HZ PHE 133 HZ PHE 133 -14.013 7.999 24.084 948 H GLU 134 H GLU 134 -8.589 3.070 27.540 949 HA GLU 134 HA GLU 134 -6.254 4.018 28.735 950 HB2 GLU 134 2HB GLU 134 -7.955 1.885 29.138 951 HB3 GLU 134 3HB GLU 134 -6.452 1.100 28.675 952 HG2 GLU 134 2HG GLU 134 -5.351 1.782 30.543 953 HG3 GLU 134 3HG GLU 134 -6.316 3.247 30.713 954 H GLU 135 H GLU 135 -6.729 2.087 25.861 955 HA GLU 135 HA GLU 135 -4.050 1.201 25.576 956 HB2 GLU 135 2HB GLU 135 -6.175 0.317 24.420 957 HB3 GLU 135 3HB GLU 135 -5.947 1.638 23.282 958 HG2 GLU 135 2HG GLU 135 -3.685 0.763 22.791 959 HG3 GLU 135 3HG GLU 135 -4.027 -0.610 23.841 960 H ILE 136 H ILE 136 -5.828 3.993 24.328 961 HA ILE 136 HA ILE 136 -3.732 4.985 22.700 962 HB ILE 136 HB ILE 136 -6.050 6.470 23.943 963 HG12 ILE 136 2HG1 ILE 136 -5.781 5.460 21.112 964 HG13 ILE 136 3HG1 ILE 136 -6.551 4.520 22.385 965 HG21 ILE 136 1HG2 ILE 136 -4.149 7.253 21.740 966 HG22 ILE 136 2HG2 ILE 136 -5.643 8.109 22.120 967 HG23 ILE 136 3HG2 ILE 136 -4.343 8.034 23.309 968 HD11 ILE 136 3HD1 ILE 136 -7.441 7.294 21.674 969 HD12 ILE 136 1HD1 ILE 136 -8.068 5.855 20.870 970 HD13 ILE 136 2HD1 ILE 136 -8.302 6.069 22.606 971 H SER 137 H SER 137 -4.811 5.814 25.984 972 HA SER 137 HA SER 137 -2.928 7.848 26.448 973 HB2 SER 137 2HB SER 137 -4.462 6.039 28.314 974 HB3 SER 137 3HB SER 137 -3.381 7.301 28.903 975 HG SER 137 HG SER 137 -5.878 7.582 28.208 976 H ARG 138 H ARG 138 -2.802 4.361 26.975 977 HA ARG 138 HA ARG 138 -0.312 4.357 28.341 978 HB2 ARG 138 2HB ARG 138 -1.896 2.491 28.501 979 HB3 ARG 138 3HB ARG 138 -1.675 2.148 26.791 980 HG2 ARG 138 2HG ARG 138 0.806 2.196 28.346 981 HG3 ARG 138 3HG ARG 138 -0.334 0.930 28.808 982 HD2 ARG 138 2HD ARG 138 0.020 1.257 25.916 983 HD3 ARG 138 3HD ARG 138 1.473 0.748 26.775 984 HE ARG 138 HE ARG 138 -0.804 -0.842 26.215 985 HH11 ARG 138 1HH1 ARG 138 1.606 -0.252 28.656 986 HH12 ARG 138 2HH1 ARG 138 1.524 -1.854 29.310 987 HH21 ARG 138 1HH2 ARG 138 -0.921 -2.955 27.067 988 HH22 ARG 138 2HH2 ARG 138 0.087 -3.391 28.405 989 H LYS 139 H LYS 139 -1.244 4.088 24.958 990 HA LYS 139 HA LYS 139 1.281 3.340 23.942 991 HB2 LYS 139 2HB LYS 139 -1.299 4.061 22.891 992 HB3 LYS 139 3HB LYS 139 -0.037 4.878 21.978 993 HG2 LYS 139 2HG LYS 139 0.389 3.017 20.866 994 HG3 LYS 139 3HG LYS 139 0.748 2.173 22.374 995 HD2 LYS 139 2HD LYS 139 -1.578 1.593 22.653 996 HD3 LYS 139 3HD LYS 139 -2.023 2.553 21.240 997 HE2 LYS 139 2HE LYS 139 -1.959 0.434 20.346 998 HE3 LYS 139 3HE LYS 139 -0.323 0.999 20.010 999 HZ1 LYS 139 3HZ LYS 139 -1.136 -1.222 21.537 1000 HZ2 LYS 139 1HZ LYS 139 -0.292 -0.152 22.540 1001 HZ3 LYS 139 2HZ LYS 139 0.433 -0.738 21.128 1002 H VAL 140 H VAL 140 -0.291 6.516 24.244 1003 HA VAL 140 HA VAL 140 1.884 7.990 23.181 1004 HB VAL 140 HB VAL 140 -0.364 8.931 23.242 1005 HG11 VAL 140 1HG1 VAL 140 -1.047 7.903 25.388 1006 HG12 VAL 140 2HG1 VAL 140 -0.039 9.078 26.236 1007 HG13 VAL 140 3HG1 VAL 140 -1.425 9.623 25.292 1008 HG21 VAL 140 3HG2 VAL 140 0.207 11.149 23.880 1009 HG22 VAL 140 1HG2 VAL 140 1.414 10.576 25.031 1010 HG23 VAL 140 2HG2 VAL 140 1.688 10.390 23.299 1011 H LYS 141 H LYS 141 0.965 7.039 26.447 1012 HA LYS 141 HA LYS 141 2.940 8.606 27.771 1013 HB2 LYS 141 2HB LYS 141 1.007 7.891 29.005 1014 HB3 LYS 141 3HB LYS 141 1.339 6.201 28.648 1015 HG2 LYS 141 2HG LYS 141 3.525 7.576 30.016 1016 HG3 LYS 141 3HG LYS 141 2.026 7.493 30.945 1017 HD2 LYS 141 2HD LYS 141 3.319 5.112 29.621 1018 HD3 LYS 141 3HD LYS 141 3.590 5.570 31.305 1019 HE2 LYS 141 2HE LYS 141 0.867 5.572 31.155 1020 HE3 LYS 141 3HE LYS 141 1.284 4.267 30.045 1021 HZ1 LYS 141 3HZ LYS 141 1.381 3.036 31.890 1022 HZ2 LYS 141 1HZ LYS 141 1.496 4.376 32.916 1023 HZ3 LYS 141 2HZ LYS 141 2.881 3.771 32.158 1024 H SER 142 H SER 142 2.920 5.472 26.272 1025 HA SER 142 HA SER 142 5.397 4.627 27.499 1026 HB2 SER 142 2HB SER 142 3.792 2.907 26.965 1027 HB3 SER 142 3HB SER 142 3.717 3.433 25.283 1028 HG SER 142 HG SER 142 6.024 2.398 26.577 1029 H ASN 143 H ASN 143 4.372 6.237 24.599 1030 HA ASN 143 HA ASN 143 5.500 7.152 22.849 1031 HB2 ASN 143 2HB ASN 143 6.751 8.120 24.883 1032 HB3 ASN 143 3HB ASN 143 8.015 6.957 24.494 1033 HD21 ASN 143 1HD2 ASN 143 6.954 10.041 24.012 1034 HD22 ASN 143 2HD2 ASN 143 7.837 10.423 22.577 1035 H ARG 144 H ARG 144 5.074 4.591 22.385 1036 HA ARG 144 HA ARG 144 5.733 2.820 21.119 1037 HB2 ARG 144 2HB ARG 144 6.764 4.834 19.823 1038 HB3 ARG 144 3HB ARG 144 8.292 4.235 20.454 1039 HG2 ARG 144 2HG ARG 144 8.393 2.753 18.819 1040 HG3 ARG 144 3HG ARG 144 6.876 2.034 19.365 1041 HD2 ARG 144 2HD ARG 144 5.771 3.998 18.091 1042 HD3 ARG 144 3HD ARG 144 7.333 4.141 17.286 1043 HE ARG 144 HE ARG 144 5.343 2.162 16.812 1044 HH11 ARG 144 1HH1 ARG 144 8.782 2.699 16.866 1045 HH12 ARG 144 2HH1 ARG 144 9.128 1.446 15.721 1046 HH21 ARG 144 1HH2 ARG 144 5.785 0.509 15.303 1047 HH22 ARG 144 2HH2 ARG 144 7.422 0.202 14.831 Start of MODEL 9 1 H MET 9 H MET 9 -0.762 4.760 -7.280 2 HA MET 9 HA MET 9 -3.269 3.946 -6.860 3 HB2 MET 9 2HB MET 9 -1.324 3.472 -8.881 4 HB3 MET 9 3HB MET 9 -2.166 1.957 -8.584 5 HG2 MET 9 2HG MET 9 -4.269 2.927 -9.089 6 HG3 MET 9 3HG MET 9 -3.586 4.551 -9.103 7 HE1 MET 9 3HE MET 9 -2.950 0.990 -11.161 8 HE2 MET 9 1HE MET 9 -4.591 1.545 -10.827 9 HE3 MET 9 2HE MET 9 -3.952 1.620 -12.469 10 H ALA 10 H ALA 10 -0.427 1.888 -6.347 11 HA ALA 10 HA ALA 10 -2.153 0.023 -4.850 12 HB1 ALA 10 1HB ALA 10 0.344 -0.573 -6.431 13 HB2 ALA 10 2HB ALA 10 -0.502 -1.736 -5.409 14 HB3 ALA 10 3HB ALA 10 -1.305 -1.059 -6.826 15 H MET 11 H MET 11 1.335 0.748 -5.091 16 HA MET 11 HA MET 11 1.795 0.152 -2.345 17 HB2 MET 11 2HB MET 11 3.487 1.482 -4.459 18 HB3 MET 11 3HB MET 11 4.058 1.203 -2.819 19 HG2 MET 11 2HG MET 11 3.461 -1.248 -3.224 20 HG3 MET 11 3HG MET 11 3.368 -0.807 -4.928 21 HE1 MET 11 3HE MET 11 5.140 -1.550 -1.932 22 HE2 MET 11 1HE MET 11 6.746 -2.030 -2.481 23 HE3 MET 11 2HE MET 11 6.461 -0.381 -1.924 24 H SER 12 H SER 12 1.257 3.107 -4.171 25 HA SER 12 HA SER 12 0.816 4.533 -1.662 26 HB2 SER 12 2HB SER 12 2.182 6.446 -2.369 27 HB3 SER 12 3HB SER 12 3.167 4.989 -2.241 28 HG SER 12 HG SER 12 3.626 5.189 -4.271 29 H GLY 13 H GLY 13 -1.393 4.350 -2.347 30 HA2 GLY 13 2HA GLY 13 -2.084 6.073 -4.641 31 HA3 GLY 13 3HA GLY 13 -3.092 4.768 -4.033 32 H VAL 14 H VAL 14 -4.528 6.846 -4.293 33 HA VAL 14 HA VAL 14 -5.920 8.304 -3.234 34 HB VAL 14 HB VAL 14 -4.677 7.153 -0.732 35 HG11 VAL 14 1HG1 VAL 14 -6.903 9.104 -1.160 36 HG12 VAL 14 2HG1 VAL 14 -6.929 8.015 0.228 37 HG13 VAL 14 3HG1 VAL 14 -5.590 9.144 0.016 38 HG21 VAL 14 3HG2 VAL 14 -5.932 5.364 -1.131 39 HG22 VAL 14 1HG2 VAL 14 -7.373 6.380 -1.083 40 HG23 VAL 14 2HG2 VAL 14 -6.544 6.098 -2.613 41 H SER 15 H SER 15 -5.915 10.435 -2.578 42 HA SER 15 HA SER 15 -3.275 11.569 -1.919 43 HB2 SER 15 2HB SER 15 -4.847 12.077 -4.187 44 HB3 SER 15 3HB SER 15 -5.056 13.490 -3.152 45 HG SER 15 HG SER 15 -3.186 14.069 -3.902 46 H VAL 16 H VAL 16 -3.150 12.979 -0.252 47 HA VAL 16 HA VAL 16 -5.467 13.208 1.469 48 HB VAL 16 HB VAL 16 -3.350 12.707 2.520 49 HG11 VAL 16 1HG1 VAL 16 -1.424 13.607 1.876 50 HG12 VAL 16 2HG1 VAL 16 -2.308 14.528 0.658 51 HG13 VAL 16 3HG1 VAL 16 -2.007 15.229 2.248 52 HG21 VAL 16 3HG2 VAL 16 -3.502 14.174 4.313 53 HG22 VAL 16 1HG2 VAL 16 -3.872 15.555 3.281 54 HG23 VAL 16 2HG2 VAL 16 -5.092 14.313 3.563 55 H ALA 17 H ALA 17 -6.828 14.862 1.451 56 HA ALA 17 HA ALA 17 -6.480 17.113 -0.235 57 HB1 ALA 17 1HB ALA 17 -8.496 16.415 1.877 58 HB2 ALA 17 2HB ALA 17 -8.536 17.958 1.023 59 HB3 ALA 17 3HB ALA 17 -8.697 16.449 0.125 60 H ASP 18 H ASP 18 -6.022 19.242 0.235 61 HA ASP 18 HA ASP 18 -4.123 19.813 2.165 62 HB2 ASP 18 2HB ASP 18 -4.955 21.164 0.062 63 HB3 ASP 18 3HB ASP 18 -5.971 21.980 1.247 64 H GLU 19 H GLU 19 -7.609 19.891 2.382 65 HA GLU 19 HA GLU 19 -7.857 21.419 4.731 66 HB2 GLU 19 2HB GLU 19 -10.069 20.242 4.962 67 HB3 GLU 19 3HB GLU 19 -9.807 21.038 3.417 68 HG2 GLU 19 2HG GLU 19 -10.277 19.144 2.389 69 HG3 GLU 19 3HG GLU 19 -8.859 18.407 3.132 70 H CYS 20 H CYS 20 -7.279 17.990 4.192 71 HA CYS 20 HA CYS 20 -7.616 17.195 6.900 72 HB2 CYS 20 2HB CYS 20 -7.803 15.559 5.126 73 HB3 CYS 20 3HB CYS 20 -6.154 15.880 4.604 74 HG CYS 20 HG CYS 20 -6.865 14.613 7.696 75 H VAL 21 H VAL 21 -4.775 17.994 4.932 76 HA VAL 21 HA VAL 21 -2.818 17.439 6.859 77 HB VAL 21 HB VAL 21 -2.701 19.536 4.687 78 HG11 VAL 21 1HG1 VAL 21 -0.822 20.025 5.865 79 HG12 VAL 21 2HG1 VAL 21 -0.714 18.413 6.576 80 HG13 VAL 21 3HG1 VAL 21 -0.186 18.683 4.914 81 HG21 VAL 21 3HG2 VAL 21 -1.315 17.488 3.678 82 HG22 VAL 21 1HG2 VAL 21 -2.474 16.585 4.654 83 HG23 VAL 21 2HG2 VAL 21 -3.045 17.693 3.406 84 H THR 22 H THR 22 -4.459 20.493 6.069 85 HA THR 22 HA THR 22 -3.132 22.061 8.000 86 HB THR 22 HB THR 22 -5.935 22.608 7.044 87 HG1 THR 22 HG1 THR 22 -3.600 23.395 5.641 88 HG21 THR 22 3HG2 THR 22 -3.802 24.664 7.297 89 HG22 THR 22 1HG2 THR 22 -4.495 24.009 8.780 90 HG23 THR 22 2HG2 THR 22 -5.536 24.793 7.591 91 H ALA 23 H ALA 23 -6.215 20.312 8.083 92 HA ALA 23 HA ALA 23 -7.102 21.158 10.590 93 HB1 ALA 23 1HB ALA 23 -8.511 19.175 10.593 94 HB2 ALA 23 2HB ALA 23 -8.503 19.931 8.999 95 HB3 ALA 23 3HB ALA 23 -7.552 18.474 9.289 96 H LEU 24 H LEU 24 -4.989 18.456 9.705 97 HA LEU 24 HA LEU 24 -4.750 17.417 12.336 98 HB2 LEU 24 2HB LEU 24 -3.044 17.109 9.875 99 HB3 LEU 24 3HB LEU 24 -2.731 16.253 11.384 100 HG LEU 24 HG LEU 24 -5.252 15.988 9.747 101 HD11 LEU 24 1HD1 LEU 24 -3.915 14.807 8.384 102 HD12 LEU 24 2HD1 LEU 24 -4.027 13.576 9.642 103 HD13 LEU 24 3HD1 LEU 24 -2.637 14.660 9.591 104 HD21 LEU 24 3HD2 LEU 24 -4.621 13.850 11.581 105 HD22 LEU 24 1HD2 LEU 24 -6.097 14.803 11.426 106 HD23 LEU 24 2HD2 LEU 24 -4.766 15.394 12.422 107 H ASN 25 H ASN 25 -2.793 19.650 10.410 108 HA ASN 25 HA ASN 25 -0.623 19.913 12.140 109 HB2 ASN 25 2HB ASN 25 -1.653 21.282 9.820 110 HB3 ASN 25 3HB ASN 25 -1.048 22.448 10.992 111 HD21 ASN 25 1HD2 ASN 25 0.921 23.033 10.464 112 HD22 ASN 25 2HD2 ASN 25 2.186 21.988 9.922 113 H ASP 26 H ASP 26 -3.659 21.746 12.013 114 HA ASP 26 HA ASP 26 -2.997 23.441 14.207 115 HB2 ASP 26 2HB ASP 26 -5.790 22.817 13.255 116 HB3 ASP 26 3HB ASP 26 -5.207 24.290 14.026 117 H LEU 27 H LEU 27 -4.731 20.399 13.869 118 HA LEU 27 HA LEU 27 -5.857 20.272 16.432 119 HB2 LEU 27 2HB LEU 27 -6.517 18.783 14.629 120 HB3 LEU 27 3HB LEU 27 -4.917 18.045 14.630 121 HG LEU 27 HG LEU 27 -5.376 17.219 16.939 122 HD11 LEU 27 1HD1 LEU 27 -7.508 19.010 16.808 123 HD12 LEU 27 2HD1 LEU 27 -7.168 17.844 18.087 124 HD13 LEU 27 3HD1 LEU 27 -8.244 17.407 16.759 125 HD21 LEU 27 3HD2 LEU 27 -6.631 16.354 14.456 126 HD22 LEU 27 1HD2 LEU 27 -7.470 15.778 15.897 127 HD23 LEU 27 2HD2 LEU 27 -5.758 15.420 15.672 128 H ARG 28 H ARG 28 -2.653 19.457 15.250 129 HA ARG 28 HA ARG 28 -1.737 18.044 17.502 130 HB2 ARG 28 2HB ARG 28 0.309 18.050 16.482 131 HB3 ARG 28 3HB ARG 28 -0.690 18.476 15.099 132 HG2 ARG 28 2HG ARG 28 -0.204 20.925 15.909 133 HG3 ARG 28 3HG ARG 28 1.189 20.157 16.673 134 HD2 ARG 28 2HD ARG 28 0.683 19.412 13.866 135 HD3 ARG 28 3HD ARG 28 1.179 21.082 14.140 136 HE ARG 28 HE ARG 28 2.932 19.517 15.583 137 HH11 ARG 28 1HH1 ARG 28 1.998 19.878 12.249 138 HH12 ARG 28 2HH1 ARG 28 3.546 19.409 11.629 139 HH21 ARG 28 1HH2 ARG 28 4.974 18.897 14.779 140 HH22 ARG 28 2HH2 ARG 28 5.238 18.850 13.069 141 H HIS 29 H HIS 29 -2.230 21.416 16.933 142 HA HIS 29 HA HIS 29 -0.632 22.184 19.252 143 HB2 HIS 29 2HB HIS 29 -1.228 23.448 16.836 144 HB3 HIS 29 3HB HIS 29 -2.166 24.330 18.037 145 HD1 HIS 29 HD1 HIS 29 1.424 23.201 17.494 146 HD2 HIS 29 HD2 HIS 29 -0.740 26.213 19.368 147 HE1 HIS 29 HE1 HIS 29 3.141 24.809 18.384 148 H LYS 30 H LYS 30 -3.299 20.676 19.233 149 HA LYS 30 HA LYS 30 -5.184 20.565 20.503 150 HB2 LYS 30 2HB LYS 30 -3.801 22.626 22.227 151 HB3 LYS 30 3HB LYS 30 -5.093 21.539 22.720 152 HG2 LYS 30 2HG LYS 30 -3.651 19.929 23.212 153 HG3 LYS 30 3HG LYS 30 -2.861 20.068 21.640 154 HD2 LYS 30 2HD LYS 30 -2.326 22.128 23.733 155 HD3 LYS 30 3HD LYS 30 -1.534 20.555 23.848 156 HE2 LYS 30 2HE LYS 30 -0.971 21.015 21.324 157 HE3 LYS 30 3HE LYS 30 -1.234 22.695 21.791 158 HZ1 LYS 30 3HZ LYS 30 1.060 21.195 22.152 159 HZ2 LYS 30 1HZ LYS 30 0.401 21.396 23.698 160 HZ3 LYS 30 2HZ LYS 30 0.749 22.749 22.744 161 H LYS 31 H LYS 31 -5.480 22.160 18.319 162 HA LYS 31 HA LYS 31 -6.557 24.729 19.027 163 HB2 LYS 31 2HB LYS 31 -6.935 25.049 16.730 164 HB3 LYS 31 3HB LYS 31 -5.472 24.076 16.801 165 HG2 LYS 31 2HG LYS 31 -6.480 22.765 15.311 166 HG3 LYS 31 3HG LYS 31 -7.435 22.172 16.672 167 HD2 LYS 31 2HD LYS 31 -8.980 22.762 14.975 168 HD3 LYS 31 3HD LYS 31 -9.061 24.042 16.187 169 HE2 LYS 31 2HE LYS 31 -7.160 25.052 14.581 170 HE3 LYS 31 3HE LYS 31 -8.076 24.114 13.402 171 HZ1 LYS 31 3HZ LYS 31 -9.985 25.355 13.784 172 HZ2 LYS 31 1HZ LYS 31 -8.761 26.522 13.811 173 HZ3 LYS 31 2HZ LYS 31 -9.431 25.966 15.261 174 H SER 32 H SER 32 -7.749 21.515 18.832 175 HA SER 32 HA SER 32 -10.409 22.457 19.570 176 HB2 SER 32 2HB SER 32 -10.983 20.336 17.861 177 HB3 SER 32 3HB SER 32 -11.252 22.047 17.528 178 HG SER 32 HG SER 32 -9.968 20.882 15.936 179 H ARG 33 H ARG 33 -9.270 19.269 18.515 180 HA ARG 33 HA ARG 33 -8.677 18.167 20.993 181 HB2 ARG 33 2HB ARG 33 -11.421 18.675 20.782 182 HB3 ARG 33 3HB ARG 33 -11.255 16.949 20.493 183 HG2 ARG 33 2HG ARG 33 -9.691 17.160 22.643 184 HG3 ARG 33 3HG ARG 33 -10.775 18.518 22.948 185 HD2 ARG 33 2HD ARG 33 -12.632 16.764 22.359 186 HD3 ARG 33 3HD ARG 33 -11.377 15.601 22.784 187 HE ARG 33 HE ARG 33 -11.404 17.355 24.870 188 HH11 ARG 33 1HH1 ARG 33 -13.797 15.374 23.300 189 HH12 ARG 33 2HH1 ARG 33 -14.745 15.155 24.734 190 HH21 ARG 33 1HH2 ARG 33 -12.643 17.075 26.764 191 HH22 ARG 33 2HH2 ARG 33 -14.089 16.124 26.703 192 H TYR 34 H TYR 34 -10.812 17.089 18.343 193 HA TYR 34 HA TYR 34 -8.716 15.289 17.407 194 HB2 TYR 34 2HB TYR 34 -9.969 13.312 17.585 195 HB3 TYR 34 3HB TYR 34 -10.237 14.122 19.124 196 HD1 TYR 34 HD1 TYR 34 -11.757 13.140 15.935 197 HD2 TYR 34 HD2 TYR 34 -12.411 15.031 19.691 198 HE1 TYR 34 HE1 TYR 34 -14.186 13.014 15.569 199 HE2 TYR 34 HE2 TYR 34 -14.841 14.908 19.336 200 HH TYR 34 HH TYR 34 -16.313 12.976 17.332 201 H VAL 35 H VAL 35 -9.093 14.460 15.273 202 HA VAL 35 HA VAL 35 -11.254 15.764 13.776 203 HB VAL 35 HB VAL 35 -8.367 15.748 12.884 204 HG11 VAL 35 1HG1 VAL 35 -9.382 17.335 11.124 205 HG12 VAL 35 2HG1 VAL 35 -9.621 15.598 10.929 206 HG13 VAL 35 3HG1 VAL 35 -10.922 16.601 11.571 207 HG21 VAL 35 3HG2 VAL 35 -9.879 17.613 14.489 208 HG22 VAL 35 1HG2 VAL 35 -8.160 17.604 14.095 209 HG23 VAL 35 2HG2 VAL 35 -9.312 18.367 12.998 210 H ILE 36 H ILE 36 -12.333 14.316 12.624 211 HA ILE 36 HA ILE 36 -10.987 11.801 11.905 212 HB ILE 36 HB ILE 36 -13.944 12.365 12.156 213 HG12 ILE 36 2HG1 ILE 36 -12.076 10.765 13.921 214 HG13 ILE 36 3HG1 ILE 36 -12.781 12.327 14.322 215 HG21 ILE 36 1HG2 ILE 36 -12.480 9.789 11.597 216 HG22 ILE 36 2HG2 ILE 36 -14.213 9.942 11.883 217 HG23 ILE 36 3HG2 ILE 36 -13.485 10.686 10.460 218 HD11 ILE 36 3HD1 ILE 36 -13.985 10.586 15.446 219 HD12 ILE 36 1HD1 ILE 36 -15.020 11.299 14.210 220 HD13 ILE 36 2HD1 ILE 36 -14.254 9.736 13.925 221 H MET 37 H MET 37 -10.879 11.133 9.823 222 HA MET 37 HA MET 37 -12.260 12.748 7.789 223 HB2 MET 37 2HB MET 37 -10.301 12.761 6.391 224 HB3 MET 37 3HB MET 37 -9.860 13.395 7.972 225 HG2 MET 37 2HG MET 37 -9.455 10.556 7.894 226 HG3 MET 37 3HG MET 37 -8.628 11.333 6.546 227 HE1 MET 37 3HE MET 37 -6.053 10.375 8.178 228 HE2 MET 37 1HE MET 37 -6.498 11.283 6.734 229 HE3 MET 37 2HE MET 37 -5.447 12.015 7.946 230 H HIS 38 H HIS 38 -12.693 11.665 5.797 231 HA HIS 38 HA HIS 38 -12.507 8.730 5.939 232 HB2 HIS 38 2HB HIS 38 -14.777 9.200 6.467 233 HB3 HIS 38 3HB HIS 38 -14.894 10.421 5.203 234 HD1 HIS 38 HD1 HIS 38 -16.147 9.638 3.234 235 HD2 HIS 38 HD2 HIS 38 -14.202 6.510 5.157 236 HE1 HIS 38 HE1 HIS 38 -16.763 7.569 1.944 237 H ILE 39 H ILE 39 -12.372 7.634 3.941 238 HA ILE 39 HA ILE 39 -11.076 9.193 1.872 239 HB ILE 39 HB ILE 39 -11.638 6.230 1.849 240 HG12 ILE 39 2HG1 ILE 39 -9.192 7.675 2.893 241 HG13 ILE 39 3HG1 ILE 39 -10.401 6.874 3.890 242 HG21 ILE 39 1HG2 ILE 39 -9.578 7.899 0.413 243 HG22 ILE 39 2HG2 ILE 39 -9.747 6.148 0.304 244 HG23 ILE 39 3HG2 ILE 39 -11.026 7.197 -0.306 245 HD11 ILE 39 3HD1 ILE 39 -9.742 4.831 2.312 246 HD12 ILE 39 1HD1 ILE 39 -8.228 5.732 2.257 247 HD13 ILE 39 2HD1 ILE 39 -8.886 5.208 3.807 248 H VAL 40 H VAL 40 -12.167 10.099 0.269 249 HA VAL 40 HA VAL 40 -14.798 9.034 -0.462 250 HB VAL 40 HB VAL 40 -13.518 11.662 -1.227 251 HG11 VAL 40 1HG1 VAL 40 -15.054 11.206 -2.917 252 HG12 VAL 40 2HG1 VAL 40 -16.191 10.437 -1.809 253 HG13 VAL 40 3HG1 VAL 40 -15.976 12.187 -1.779 254 HG21 VAL 40 3HG2 VAL 40 -13.940 11.866 1.050 255 HG22 VAL 40 1HG2 VAL 40 -15.409 12.510 0.316 256 HG23 VAL 40 2HG2 VAL 40 -15.395 10.872 0.971 257 H ASP 41 H ASP 41 -15.214 8.145 -2.400 258 HA ASP 41 HA ASP 41 -14.838 7.155 -4.416 259 HB2 ASP 41 2HB ASP 41 -14.167 9.881 -4.668 260 HB3 ASP 41 3HB ASP 41 -12.910 8.989 -5.521 261 H GLN 42 H GLN 42 -12.955 6.679 -2.134 262 HA GLN 42 HA GLN 42 -10.886 5.770 -1.702 263 HB2 GLN 42 2HB GLN 42 -10.513 3.708 -2.933 264 HB3 GLN 42 3HB GLN 42 -12.223 3.890 -2.565 265 HG2 GLN 42 2HG GLN 42 -12.775 4.366 -4.774 266 HG3 GLN 42 3HG GLN 42 -11.112 4.767 -5.200 267 HE21 GLN 42 1HE2 GLN 42 -13.045 2.856 -6.370 268 HE22 GLN 42 2HE2 GLN 42 -12.232 1.332 -6.375 269 H LYS 43 H LYS 43 -10.583 8.179 -3.082 270 HA LYS 43 HA LYS 43 -8.010 7.708 -4.339 271 HB2 LYS 43 2HB LYS 43 -10.195 7.938 -5.985 272 HB3 LYS 43 3HB LYS 43 -9.620 9.598 -5.905 273 HG2 LYS 43 2HG LYS 43 -7.336 8.699 -6.506 274 HG3 LYS 43 3HG LYS 43 -8.138 7.168 -6.865 275 HD2 LYS 43 2HD LYS 43 -9.261 9.635 -8.079 276 HD3 LYS 43 3HD LYS 43 -7.735 9.026 -8.722 277 HE2 LYS 43 2HE LYS 43 -8.742 6.879 -9.181 278 HE3 LYS 43 3HE LYS 43 -10.248 7.386 -8.417 279 HZ1 LYS 43 3HZ LYS 43 -10.455 9.105 -10.140 280 HZ2 LYS 43 1HZ LYS 43 -10.447 7.544 -10.791 281 HZ3 LYS 43 2HZ LYS 43 -9.064 8.511 -10.897 282 H SER 44 H SER 44 -10.470 10.029 -3.318 283 HA SER 44 HA SER 44 -8.299 11.866 -2.543 284 HB2 SER 44 2HB SER 44 -10.443 12.360 -4.305 285 HB3 SER 44 3HB SER 44 -10.827 13.226 -2.818 286 HG SER 44 HG SER 44 -8.608 13.520 -4.525 287 H ILE 45 H ILE 45 -8.169 12.328 -0.448 288 HA ILE 45 HA ILE 45 -10.149 11.266 1.371 289 HB ILE 45 HB ILE 45 -7.624 12.813 1.966 290 HG12 ILE 45 2HG1 ILE 45 -8.153 9.834 2.033 291 HG13 ILE 45 3HG1 ILE 45 -7.218 10.672 0.800 292 HG21 ILE 45 1HG2 ILE 45 -9.430 11.202 3.764 293 HG22 ILE 45 2HG2 ILE 45 -7.872 11.882 4.233 294 HG23 ILE 45 3HG2 ILE 45 -9.204 12.950 3.794 295 HD11 ILE 45 3HD1 ILE 45 -6.054 11.434 3.200 296 HD12 ILE 45 1HD1 ILE 45 -6.411 9.718 3.393 297 HD13 ILE 45 2HD1 ILE 45 -5.428 10.267 2.035 298 H ALA 46 H ALA 46 -11.695 12.369 2.404 299 HA ALA 46 HA ALA 46 -11.579 15.309 2.388 300 HB1 ALA 46 1HB ALA 46 -13.229 13.966 0.725 301 HB2 ALA 46 2HB ALA 46 -14.265 14.135 2.143 302 HB3 ALA 46 3HB ALA 46 -13.575 15.567 1.380 303 H VAL 47 H VAL 47 -12.863 16.336 4.050 304 HA VAL 47 HA VAL 47 -12.625 15.032 6.562 305 HB VAL 47 HB VAL 47 -12.405 17.470 6.322 306 HG11 VAL 47 1HG1 VAL 47 -14.139 17.813 4.630 307 HG12 VAL 47 2HG1 VAL 47 -15.381 17.433 5.824 308 HG13 VAL 47 3HG1 VAL 47 -14.378 18.871 6.020 309 HG21 VAL 47 3HG2 VAL 47 -14.748 17.291 8.097 310 HG22 VAL 47 1HG2 VAL 47 -13.469 16.115 8.401 311 HG23 VAL 47 2HG2 VAL 47 -13.107 17.841 8.433 312 H LYS 48 H LYS 48 -14.122 14.075 7.849 313 HA LYS 48 HA LYS 48 -16.783 13.642 6.669 314 HB2 LYS 48 2HB LYS 48 -14.910 11.791 7.525 315 HB3 LYS 48 3HB LYS 48 -16.042 11.870 8.868 316 HG2 LYS 48 2HG LYS 48 -16.915 11.450 6.024 317 HG3 LYS 48 3HG LYS 48 -16.512 10.123 7.117 318 HD2 LYS 48 2HD LYS 48 -18.467 10.286 8.190 319 HD3 LYS 48 3HD LYS 48 -18.343 12.042 8.314 320 HE2 LYS 48 2HE LYS 48 -20.222 11.767 6.991 321 HE3 LYS 48 3HE LYS 48 -18.950 12.013 5.795 322 HZ1 LYS 48 3HZ LYS 48 -19.840 9.323 6.662 323 HZ2 LYS 48 1HZ LYS 48 -18.881 9.718 5.325 324 HZ3 LYS 48 2HZ LYS 48 -20.520 10.133 5.341 325 H THR 49 H THR 49 -15.216 13.862 9.867 326 HA THR 49 HA THR 49 -17.214 15.720 10.790 327 HB THR 49 HB THR 49 -17.086 12.957 12.013 328 HG1 THR 49 HG1 THR 49 -18.540 12.799 10.422 329 HG21 THR 49 3HG2 THR 49 -17.801 15.510 13.158 330 HG22 THR 49 1HG2 THR 49 -17.677 13.931 13.932 331 HG23 THR 49 2HG2 THR 49 -19.182 14.413 13.149 332 H ILE 50 H ILE 50 -15.831 17.170 11.604 333 HA ILE 50 HA ILE 50 -13.546 16.258 13.187 334 HB ILE 50 HB ILE 50 -13.091 17.907 11.436 335 HG12 ILE 50 2HG1 ILE 50 -12.802 19.123 14.191 336 HG13 ILE 50 3HG1 ILE 50 -11.754 17.867 13.541 337 HG21 ILE 50 1HG2 ILE 50 -15.243 19.036 11.404 338 HG22 ILE 50 2HG2 ILE 50 -14.933 19.705 13.005 339 HG23 ILE 50 3HG2 ILE 50 -13.939 20.200 11.636 340 HD11 ILE 50 3HD1 ILE 50 -10.699 20.023 13.345 341 HD12 ILE 50 1HD1 ILE 50 -11.080 19.395 11.742 342 HD13 ILE 50 2HD1 ILE 50 -12.087 20.653 12.458 343 H GLY 51 H GLY 51 -13.178 16.911 15.304 344 HA2 GLY 51 2HA GLY 51 -15.580 17.900 16.700 345 HA3 GLY 51 3HA GLY 51 -14.343 16.882 17.423 346 H GLU 52 H GLU 52 -14.849 18.862 18.965 347 HA GLU 52 HA GLU 52 -12.489 20.349 19.157 348 HB2 GLU 52 2HB GLU 52 -13.447 22.638 18.739 349 HB3 GLU 52 3HB GLU 52 -13.200 21.661 17.299 350 HG2 GLU 52 2HG GLU 52 -15.433 21.417 16.906 351 HG3 GLU 52 3HG GLU 52 -15.865 21.592 18.606 352 H ARG 53 H ARG 53 -13.295 19.070 21.133 353 HA ARG 53 HA ARG 53 -14.038 19.055 23.283 354 HB2 ARG 53 2HB ARG 53 -14.112 22.063 23.089 355 HB3 ARG 53 3HB ARG 53 -13.834 21.078 24.519 356 HG2 ARG 53 2HG ARG 53 -11.723 20.266 23.361 357 HG3 ARG 53 3HG ARG 53 -11.978 21.587 22.219 358 HD2 ARG 53 2HD ARG 53 -12.192 23.019 24.405 359 HD3 ARG 53 3HD ARG 53 -11.287 21.685 25.120 360 HE ARG 53 HE ARG 53 -10.294 23.675 23.301 361 HH11 ARG 53 1HH1 ARG 53 -9.851 20.450 24.536 362 HH12 ARG 53 2HH1 ARG 53 -8.163 20.394 24.151 363 HH21 ARG 53 1HH2 ARG 53 -8.072 23.614 22.790 364 HH22 ARG 53 2HH2 ARG 53 -7.151 22.195 23.159 365 H GLY 54 H GLY 54 -15.994 19.195 21.022 366 HA2 GLY 54 2HA GLY 54 -18.320 19.974 22.658 367 HA3 GLY 54 3HA GLY 54 -18.210 20.475 20.977 368 H ALA 55 H ALA 55 -17.067 18.032 19.996 369 HA ALA 55 HA ALA 55 -19.330 16.618 19.282 370 HB1 ALA 55 1HB ALA 55 -17.219 14.766 19.230 371 HB2 ALA 55 2HB ALA 55 -17.820 15.760 17.902 372 HB3 ALA 55 3HB ALA 55 -16.503 16.347 18.917 373 H ASN 56 H ASN 56 -20.386 14.821 20.028 374 HA ASN 56 HA ASN 56 -19.621 13.901 22.721 375 HB2 ASN 56 2HB ASN 56 -21.993 15.078 21.949 376 HB3 ASN 56 3HB ASN 56 -22.381 13.360 21.902 377 HD21 ASN 56 1HD2 ASN 56 -22.840 12.364 23.745 378 HD22 ASN 56 2HD2 ASN 56 -22.620 13.030 25.324 379 H PHE 57 H PHE 57 -20.786 11.658 23.144 380 HA PHE 57 HA PHE 57 -19.518 9.796 21.416 381 HB2 PHE 57 2HB PHE 57 -21.023 9.715 23.929 382 HB3 PHE 57 3HB PHE 57 -21.277 8.299 22.914 383 HD1 PHE 57 HD1 PHE 57 -18.813 10.237 24.811 384 HD2 PHE 57 HD2 PHE 57 -19.512 6.730 22.502 385 HE1 PHE 57 HE1 PHE 57 -16.676 9.301 25.593 386 HE2 PHE 57 HE2 PHE 57 -17.377 5.788 23.281 387 HZ PHE 57 HZ PHE 57 -15.956 7.073 24.829 388 H ASP 58 H ASP 58 -22.881 10.775 21.901 389 HA ASP 58 HA ASP 58 -24.060 8.881 20.188 390 HB2 ASP 58 2HB ASP 58 -24.893 11.498 21.351 391 HB3 ASP 58 3HB ASP 58 -25.838 10.851 20.013 392 H GLN 59 H GLN 59 -22.968 12.208 19.594 393 HA GLN 59 HA GLN 59 -23.702 12.203 16.843 394 HB2 GLN 59 2HB GLN 59 -21.771 13.970 18.355 395 HB3 GLN 59 3HB GLN 59 -22.333 14.267 16.716 396 HG2 GLN 59 2HG GLN 59 -24.660 13.943 18.179 397 HG3 GLN 59 3HG GLN 59 -23.598 14.860 19.245 398 HE21 GLN 59 1HE2 GLN 59 -23.245 16.963 18.844 399 HE22 GLN 59 2HE2 GLN 59 -23.890 17.827 17.494 400 H PHE 60 H PHE 60 -20.839 11.289 18.620 401 HA PHE 60 HA PHE 60 -19.029 11.235 16.451 402 HB2 PHE 60 2HB PHE 60 -18.064 11.209 18.603 403 HB3 PHE 60 3HB PHE 60 -19.080 9.873 19.135 404 HD1 PHE 60 HD2 PHE 60 -17.028 10.214 16.054 405 HD2 PHE 60 HD1 PHE 60 -17.607 8.200 19.759 406 HE1 PHE 60 HE2 PHE 60 -15.241 8.628 15.467 407 HE2 PHE 60 HE1 PHE 60 -15.820 6.611 19.178 408 HZ PHE 60 HZ PHE 60 -14.635 6.823 17.030 409 H ILE 61 H ILE 61 -21.009 8.690 17.946 410 HA ILE 61 HA ILE 61 -20.175 6.659 16.132 411 HB ILE 61 HB ILE 61 -22.628 6.762 17.891 412 HG12 ILE 61 2HG1 ILE 61 -20.487 6.939 19.122 413 HG13 ILE 61 3HG1 ILE 61 -21.328 5.431 19.461 414 HG21 ILE 61 1HG2 ILE 61 -23.236 4.988 16.665 415 HG22 ILE 61 2HG2 ILE 61 -21.623 4.785 15.982 416 HG23 ILE 61 3HG2 ILE 61 -21.993 4.131 17.577 417 HD11 ILE 61 3HD1 ILE 61 -18.971 5.026 19.207 418 HD12 ILE 61 1HD1 ILE 61 -19.848 4.281 17.871 419 HD13 ILE 61 2HD1 ILE 61 -18.978 5.795 17.620 420 H GLU 62 H GLU 62 -23.022 8.760 16.331 421 HA GLU 62 HA GLU 62 -24.472 7.655 14.210 422 HB2 GLU 62 2HB GLU 62 -24.462 10.245 15.654 423 HB3 GLU 62 3HB GLU 62 -25.235 10.231 14.075 424 HG2 GLU 62 2HG GLU 62 -26.003 7.997 15.795 425 HG3 GLU 62 3HG GLU 62 -26.440 9.584 16.428 426 H ALA 63 H ALA 63 -21.965 10.141 14.253 427 HA ALA 63 HA ALA 63 -22.180 10.776 11.480 428 HB1 ALA 63 1HB ALA 63 -19.703 11.241 13.096 429 HB2 ALA 63 2HB ALA 63 -20.396 12.226 11.807 430 HB3 ALA 63 3HB ALA 63 -21.166 12.181 13.393 431 H ILE 64 H ILE 64 -19.755 8.942 13.345 432 HA ILE 64 HA ILE 64 -18.338 8.047 11.058 433 HB ILE 64 HB ILE 64 -17.411 8.145 13.391 434 HG12 ILE 64 2HG1 ILE 64 -16.954 5.346 12.581 435 HG13 ILE 64 3HG1 ILE 64 -16.745 6.532 11.297 436 HG21 ILE 64 1HG2 ILE 64 -19.590 6.772 14.139 437 HG22 ILE 64 2HG2 ILE 64 -18.448 5.441 13.962 438 HG23 ILE 64 3HG2 ILE 64 -18.085 6.774 15.058 439 HD11 ILE 64 3HD1 ILE 64 -14.719 5.854 12.734 440 HD12 ILE 64 1HD1 ILE 64 -14.972 7.559 12.361 441 HD13 ILE 64 2HD1 ILE 64 -15.423 6.925 13.945 442 H ASP 65 H ASP 65 -18.315 6.030 10.055 443 HA ASP 65 HA ASP 65 -20.782 4.464 10.414 444 HB2 ASP 65 2HB ASP 65 -18.999 4.513 7.974 445 HB3 ASP 65 3HB ASP 65 -20.610 3.813 8.108 446 H LYS 66 H LYS 66 -20.150 2.163 9.124 447 HA LYS 66 HA LYS 66 -17.711 1.108 10.336 448 HB2 LYS 66 2HB LYS 66 -19.645 0.798 11.937 449 HB3 LYS 66 3HB LYS 66 -20.374 -0.258 10.734 450 HG2 LYS 66 2HG LYS 66 -17.709 -1.126 11.132 451 HG3 LYS 66 3HG LYS 66 -18.444 -0.884 12.719 452 HD2 LYS 66 2HD LYS 66 -19.991 -2.532 12.405 453 HD3 LYS 66 3HD LYS 66 -20.053 -2.292 10.658 454 HE2 LYS 66 2HE LYS 66 -18.710 -4.042 10.406 455 HE3 LYS 66 3HE LYS 66 -17.444 -3.159 11.257 456 HZ1 LYS 66 3HZ LYS 66 -19.527 -4.760 12.633 457 HZ2 LYS 66 1HZ LYS 66 -18.132 -4.085 13.313 458 HZ3 LYS 66 2HZ LYS 66 -18.004 -5.369 12.219 459 H ASN 67 H ASN 67 -17.197 1.185 8.006 460 HA ASN 67 HA ASN 67 -17.303 -1.347 6.835 461 HB2 ASN 67 2HB ASN 67 -19.702 0.013 6.445 462 HB3 ASN 67 3HB ASN 67 -18.824 0.250 4.936 463 HD21 ASN 67 1HD2 ASN 67 -19.908 -2.208 7.215 464 HD22 ASN 67 2HD2 ASN 67 -20.054 -3.478 6.053 465 H VAL 68 H VAL 68 -17.080 2.125 6.280 466 HA VAL 68 HA VAL 68 -15.098 1.693 4.167 467 HB VAL 68 HB VAL 68 -15.236 4.189 3.888 468 HG11 VAL 68 1HG1 VAL 68 -16.949 3.978 2.413 469 HG12 VAL 68 2HG1 VAL 68 -16.731 2.269 2.795 470 HG13 VAL 68 3HG1 VAL 68 -18.009 3.195 3.584 471 HG21 VAL 68 3HG2 VAL 68 -17.069 5.386 4.917 472 HG22 VAL 68 1HG2 VAL 68 -17.592 3.924 5.753 473 HG23 VAL 68 2HG2 VAL 68 -16.052 4.675 6.169 474 HA PRO 69 HA PRO 69 -11.634 2.636 6.696 475 HB2 PRO 69 2HB PRO 69 -10.026 3.920 4.925 476 HB3 PRO 69 3HB PRO 69 -10.325 2.179 4.864 477 HG2 PRO 69 2HG PRO 69 -11.577 4.373 3.258 478 HG3 PRO 69 3HG PRO 69 -11.004 2.782 2.723 479 HD2 PRO 69 2HD PRO 69 -13.621 3.313 3.175 480 HD3 PRO 69 3HD PRO 69 -12.909 1.711 3.457 481 H CYS 70 H CYS 70 -11.534 4.118 8.252 482 HA CYS 70 HA CYS 70 -11.584 6.956 7.522 483 HB2 CYS 70 2HB CYS 70 -13.155 5.805 9.836 484 HB3 CYS 70 3HB CYS 70 -13.098 7.493 9.342 485 HG CYS 70 HG CYS 70 -15.179 5.176 8.405 486 H TYR 71 H TYR 71 -10.303 8.274 8.766 487 HA TYR 71 HA TYR 71 -8.663 6.913 10.802 488 HB2 TYR 71 2HB TYR 71 -7.928 9.090 8.842 489 HB3 TYR 71 3HB TYR 71 -6.910 8.638 10.205 490 HD1 TYR 71 HD2 TYR 71 -6.032 6.266 10.320 491 HD2 TYR 71 HD1 TYR 71 -7.878 7.862 6.834 492 HE1 TYR 71 HE2 TYR 71 -5.007 4.485 8.969 493 HE2 TYR 71 HE1 TYR 71 -6.859 6.084 5.474 494 HH TYR 71 HH TYR 71 -4.366 4.113 6.593 495 H ALA 72 H ALA 72 -8.655 7.724 12.799 496 HA ALA 72 HA ALA 72 -9.825 10.400 13.211 497 HB1 ALA 72 1HB ALA 72 -10.591 9.576 15.415 498 HB2 ALA 72 2HB ALA 72 -11.318 8.711 14.061 499 HB3 ALA 72 3HB ALA 72 -10.011 7.967 14.982 500 H ALA 73 H ALA 73 -8.492 11.860 14.040 501 HA ALA 73 HA ALA 73 -6.055 10.930 15.400 502 HB1 ALA 73 1HB ALA 73 -6.452 13.705 14.336 503 HB2 ALA 73 2HB ALA 73 -4.947 12.842 14.656 504 HB3 ALA 73 3HB ALA 73 -5.954 12.380 13.283 505 H PHE 74 H PHE 74 -5.891 11.224 17.518 506 HA PHE 74 HA PHE 74 -7.590 13.270 18.786 507 HB2 PHE 74 2HB PHE 74 -7.734 10.584 19.225 508 HB3 PHE 74 3HB PHE 74 -6.604 11.072 20.484 509 HD1 PHE 74 HD1 PHE 74 -7.300 12.778 22.160 510 HD2 PHE 74 HD2 PHE 74 -10.036 11.057 19.390 511 HE1 PHE 74 HE1 PHE 74 -9.180 13.526 23.558 512 HE2 PHE 74 HE2 PHE 74 -11.921 11.803 20.784 513 HZ PHE 74 HZ PHE 74 -11.495 13.040 22.871 514 H ASP 75 H ASP 75 -6.585 14.839 19.857 515 HA ASP 75 HA ASP 75 -3.707 14.546 20.370 516 HB2 ASP 75 2HB ASP 75 -4.696 16.458 18.927 517 HB3 ASP 75 3HB ASP 75 -5.203 17.152 20.464 518 H PHE 76 H PHE 76 -3.104 14.159 22.385 519 HA PHE 76 HA PHE 76 -4.810 15.141 24.578 520 HB2 PHE 76 2HB PHE 76 -4.801 12.669 24.361 521 HB3 PHE 76 3HB PHE 76 -3.055 12.677 24.585 522 HD1 PHE 76 HD2 PHE 76 -5.810 14.478 26.336 523 HD2 PHE 76 HD1 PHE 76 -2.569 11.734 26.622 524 HE1 PHE 76 HE2 PHE 76 -6.127 14.363 28.773 525 HE2 PHE 76 HE1 PHE 76 -2.882 11.614 29.060 526 HZ PHE 76 HZ PHE 76 -4.662 12.930 30.139 527 H GLU 77 H GLU 77 -3.901 16.702 25.724 528 HA GLU 77 HA GLU 77 -1.032 17.135 25.585 529 HB2 GLU 77 2HB GLU 77 -2.548 19.047 25.336 530 HB3 GLU 77 3HB GLU 77 -3.205 18.743 26.938 531 HG2 GLU 77 2HG GLU 77 -0.756 19.025 27.725 532 HG3 GLU 77 3HG GLU 77 -0.530 19.819 26.168 533 H TYR 78 H TYR 78 0.391 16.938 27.250 534 HA TYR 78 HA TYR 78 -0.551 16.362 29.933 535 HB2 TYR 78 2HB TYR 78 -0.195 14.211 28.313 536 HB3 TYR 78 3HB TYR 78 1.420 14.375 28.991 537 HD1 TYR 78 HD1 TYR 78 -2.162 14.162 29.998 538 HD2 TYR 78 HD2 TYR 78 1.894 13.470 31.083 539 HE1 TYR 78 HE1 TYR 78 -2.910 13.012 32.040 540 HE2 TYR 78 HE2 TYR 78 1.157 12.317 33.126 541 HH TYR 78 HH TYR 78 -1.211 12.530 34.606 542 H THR 79 H THR 79 1.489 15.833 31.351 543 HA THR 79 HA THR 79 3.590 17.751 30.576 544 HB THR 79 HB THR 79 2.359 18.580 32.487 545 HG1 THR 79 HG1 THR 79 4.740 17.522 33.591 546 HG21 THR 79 3HG2 THR 79 2.929 16.889 34.600 547 HG22 THR 79 1HG2 THR 79 2.462 15.790 33.304 548 HG23 THR 79 2HG2 THR 79 1.364 17.074 33.810 549 H THR 80 H THR 80 4.036 15.343 29.581 550 HA THR 80 HA THR 80 5.426 13.596 31.386 551 HB THR 80 HB THR 80 5.940 12.244 29.474 552 HG1 THR 80 HG1 THR 80 6.348 13.200 27.641 553 HG21 THR 80 3HG2 THR 80 3.699 11.975 28.440 554 HG22 THR 80 1HG2 THR 80 3.196 13.477 29.213 555 HG23 THR 80 2HG2 THR 80 3.640 12.084 30.199 556 H ASN 81 H ASN 81 6.375 15.911 28.873 557 HA ASN 81 HA ASN 81 9.183 15.452 29.265 558 HB2 ASN 81 2HB ASN 81 8.111 16.221 27.101 559 HB3 ASN 81 3HB ASN 81 7.902 17.798 27.858 560 HD21 ASN 81 1HD2 ASN 81 9.571 19.177 27.921 561 HD22 ASN 81 2HD2 ASN 81 11.157 18.826 27.332 562 H ASP 82 H ASP 82 6.809 17.795 30.365 563 HA ASP 82 HA ASP 82 8.154 18.471 32.695 564 HB2 ASP 82 2HB ASP 82 9.119 19.891 30.339 565 HB3 ASP 82 3HB ASP 82 8.534 20.987 31.587 566 H GLY 83 H GLY 83 6.089 19.675 30.096 567 HA2 GLY 83 2HA GLY 83 3.870 20.046 31.803 568 HA3 GLY 83 3HA GLY 83 4.653 21.595 31.528 569 HA PRO 84 HA PRO 84 2.495 22.102 27.752 570 HB2 PRO 84 2HB PRO 84 4.344 23.315 26.177 571 HB3 PRO 84 3HB PRO 84 3.550 24.131 27.529 572 HG2 PRO 84 2HG PRO 84 6.257 22.859 27.411 573 HG3 PRO 84 3HG PRO 84 5.776 24.400 28.145 574 HD2 PRO 84 2HD PRO 84 6.153 22.148 29.601 575 HD3 PRO 84 3HD PRO 84 4.959 23.384 30.045 576 H ARG 85 H ARG 85 2.660 19.622 27.602 577 HA ARG 85 HA ARG 85 4.160 18.927 25.163 578 HB2 ARG 85 2HB ARG 85 4.580 17.822 27.625 579 HB3 ARG 85 3HB ARG 85 3.407 16.705 26.939 580 HG2 ARG 85 2HG ARG 85 5.524 17.370 25.069 581 HG3 ARG 85 3HG ARG 85 6.132 16.649 26.560 582 HD2 ARG 85 2HD ARG 85 4.619 14.765 26.285 583 HD3 ARG 85 3HD ARG 85 3.949 15.496 24.827 584 HE ARG 85 HE ARG 85 6.446 14.079 25.074 585 HH11 ARG 85 1HH1 ARG 85 4.601 16.370 23.212 586 HH12 ARG 85 2HH1 ARG 85 5.487 16.092 21.749 587 HH21 ARG 85 1HH2 ARG 85 7.620 13.704 23.155 588 HH22 ARG 85 2HH2 ARG 85 7.203 14.574 21.717 589 H ASP 86 H ASP 86 3.144 17.552 23.672 590 HA ASP 86 HA ASP 86 0.355 16.837 24.143 591 HB2 ASP 86 2HB ASP 86 -0.482 17.932 22.189 592 HB3 ASP 86 3HB ASP 86 0.412 19.137 23.112 593 H LYS 87 H LYS 87 -0.207 14.958 23.201 594 HA LYS 87 HA LYS 87 1.662 13.807 21.235 595 HB2 LYS 87 2HB LYS 87 0.559 12.693 23.743 596 HB3 LYS 87 3HB LYS 87 0.574 11.600 22.365 597 HG2 LYS 87 2HG LYS 87 2.973 13.081 23.423 598 HG3 LYS 87 3HG LYS 87 2.579 11.395 23.768 599 HD2 LYS 87 2HD LYS 87 2.608 12.067 20.915 600 HD3 LYS 87 3HD LYS 87 4.169 12.252 21.719 601 HE2 LYS 87 2HE LYS 87 2.539 9.779 22.138 602 HE3 LYS 87 3HE LYS 87 3.515 9.960 20.681 603 HZ1 LYS 87 3HZ LYS 87 5.298 10.620 22.522 604 HZ2 LYS 87 1HZ LYS 87 5.068 9.027 21.999 605 HZ3 LYS 87 2HZ LYS 87 4.352 9.557 23.437 606 H LEU 88 H LEU 88 0.782 13.273 19.349 607 HA LEU 88 HA LEU 88 -2.143 13.203 19.142 608 HB2 LEU 88 2HB LEU 88 0.042 13.647 17.128 609 HB3 LEU 88 3HB LEU 88 -1.627 13.340 16.653 610 HG LEU 88 HG LEU 88 -2.093 15.390 18.253 611 HD11 LEU 88 1HD1 LEU 88 -0.388 16.938 18.477 612 HD12 LEU 88 2HD1 LEU 88 0.586 16.204 17.203 613 HD13 LEU 88 3HD1 LEU 88 0.442 15.410 18.771 614 HD21 LEU 88 3HD2 LEU 88 -2.519 16.549 16.360 615 HD22 LEU 88 1HD2 LEU 88 -2.171 14.995 15.600 616 HD23 LEU 88 2HD2 LEU 88 -0.922 16.238 15.678 617 H ILE 89 H ILE 89 -3.200 11.371 18.729 618 HA ILE 89 HA ILE 89 -1.621 9.018 17.918 619 HB ILE 89 HB ILE 89 -4.261 8.732 19.283 620 HG12 ILE 89 2HG1 ILE 89 -3.099 10.285 20.733 621 HG13 ILE 89 3HG1 ILE 89 -3.080 8.689 21.475 622 HG21 ILE 89 1HG2 ILE 89 -1.991 7.067 18.562 623 HG22 ILE 89 2HG2 ILE 89 -2.482 6.858 20.242 624 HG23 ILE 89 3HG2 ILE 89 -3.652 6.613 18.945 625 HD11 ILE 89 3HD1 ILE 89 -0.749 8.927 19.893 626 HD12 ILE 89 1HD1 ILE 89 -0.901 10.391 20.864 627 HD13 ILE 89 2HD1 ILE 89 -0.884 8.811 21.648 628 H LEU 90 H LEU 90 -2.508 7.579 16.415 629 HA LEU 90 HA LEU 90 -4.817 8.619 14.908 630 HB2 LEU 90 2HB LEU 90 -2.201 8.330 14.020 631 HB3 LEU 90 3HB LEU 90 -3.042 6.927 13.363 632 HG LEU 90 HG LEU 90 -2.955 8.830 11.796 633 HD11 LEU 90 1HD1 LEU 90 -5.824 8.611 12.503 634 HD12 LEU 90 2HD1 LEU 90 -4.952 7.118 12.156 635 HD13 LEU 90 3HD1 LEU 90 -5.017 8.401 10.948 636 HD21 LEU 90 3HD2 LEU 90 -3.707 10.299 14.104 637 HD22 LEU 90 1HD2 LEU 90 -4.991 10.466 12.907 638 HD23 LEU 90 2HD2 LEU 90 -3.334 10.902 12.489 639 H ILE 91 H ILE 91 -6.509 7.312 14.984 640 HA ILE 91 HA ILE 91 -6.040 4.417 15.282 641 HB ILE 91 HB ILE 91 -8.412 6.007 16.269 642 HG12 ILE 91 2HG1 ILE 91 -7.384 4.948 18.493 643 HG13 ILE 91 3HG1 ILE 91 -5.900 5.042 17.551 644 HG21 ILE 91 1HG2 ILE 91 -9.376 3.979 15.916 645 HG22 ILE 91 2HG2 ILE 91 -7.848 3.107 16.041 646 HG23 ILE 91 3HG2 ILE 91 -8.667 3.664 17.500 647 HD11 ILE 91 3HD1 ILE 91 -6.957 7.519 17.167 648 HD12 ILE 91 1HD1 ILE 91 -7.462 7.156 18.817 649 HD13 ILE 91 2HD1 ILE 91 -5.753 7.103 18.385 650 H SER 92 H SER 92 -6.828 3.123 13.748 651 HA SER 92 HA SER 92 -8.522 4.320 11.674 652 HB2 SER 92 2HB SER 92 -6.892 3.380 10.411 653 HB3 SER 92 3HB SER 92 -6.401 2.275 11.696 654 HG SER 92 HG SER 92 -8.557 1.985 9.880 655 H TRP 93 H TRP 93 -10.619 3.912 11.751 656 HA TRP 93 HA TRP 93 -11.542 1.461 13.088 657 HB2 TRP 93 2HB TRP 93 -12.304 3.789 13.868 658 HB3 TRP 93 3HB TRP 93 -13.271 3.829 12.397 659 HD1 TRP 93 HD1 TRP 93 -13.506 0.381 13.214 660 HE1 TRP 93 HE1 TRP 93 -15.560 -0.161 14.668 661 HE3 TRP 93 HE3 TRP 93 -14.644 5.105 14.805 662 HZ2 TRP 93 HZ2 TRP 93 -17.417 1.230 16.275 663 HZ3 TRP 93 HZ3 TRP 93 -16.575 5.413 16.298 664 HH2 TRP 93 HH2 TRP 93 -17.932 3.514 17.017 665 H ASN 94 H ASN 94 -12.050 -0.145 11.763 666 HA ASN 94 HA ASN 94 -13.983 0.026 9.758 667 HB2 ASN 94 2HB ASN 94 -12.495 -0.407 7.759 668 HB3 ASN 94 3HB ASN 94 -12.445 1.236 8.392 669 HD21 ASN 94 1HD2 ASN 94 -10.417 1.174 7.102 670 HD22 ASN 94 2HD2 ASN 94 -8.979 0.646 7.901 671 HA PRO 95 HA PRO 95 -13.851 -4.329 10.287 672 HB2 PRO 95 2HB PRO 95 -14.916 -5.184 7.941 673 HB3 PRO 95 3HB PRO 95 -15.876 -4.405 9.204 674 HG2 PRO 95 2HG PRO 95 -14.729 -3.231 6.700 675 HG3 PRO 95 3HG PRO 95 -16.334 -2.990 7.416 676 HD2 PRO 95 2HD PRO 95 -14.329 -1.191 7.694 677 HD3 PRO 95 3HD PRO 95 -15.558 -1.454 8.949 678 H ASP 96 H ASP 96 -12.259 -5.777 10.152 679 HA ASP 96 HA ASP 96 -10.052 -5.439 8.418 680 HB2 ASP 96 2HB ASP 96 -9.768 -6.478 10.591 681 HB3 ASP 96 3HB ASP 96 -10.859 -7.788 10.144 682 H SER 97 H SER 97 -12.813 -7.645 8.386 683 HA SER 97 HA SER 97 -11.946 -8.616 5.746 684 HB2 SER 97 2HB SER 97 -13.834 -10.380 6.321 685 HB3 SER 97 3HB SER 97 -12.208 -10.550 6.981 686 HG SER 97 HG SER 97 -13.215 -10.567 8.826 687 H GLY 98 H GLY 98 -13.610 -6.166 6.709 688 HA2 GLY 98 2HA GLY 98 -16.245 -6.404 5.840 689 HA3 GLY 98 3HA GLY 98 -15.318 -4.912 5.827 690 H ALA 99 H ALA 99 -14.390 -4.193 3.929 691 HA ALA 99 HA ALA 99 -15.113 -5.720 1.512 692 HB1 ALA 99 1HB ALA 99 -16.492 -3.891 1.335 693 HB2 ALA 99 2HB ALA 99 -15.345 -2.812 2.131 694 HB3 ALA 99 3HB ALA 99 -15.066 -3.323 0.466 695 HA PRO 100 HA PRO 100 -10.926 -5.634 0.202 696 HB2 PRO 100 2HB PRO 100 -11.176 -5.293 -2.480 697 HB3 PRO 100 3HB PRO 100 -11.591 -6.803 -1.660 698 HG2 PRO 100 2HG PRO 100 -13.386 -4.587 -2.572 699 HG3 PRO 100 3HG PRO 100 -13.615 -6.340 -2.708 700 HD2 PRO 100 2HD PRO 100 -14.825 -4.856 -0.793 701 HD3 PRO 100 3HD PRO 100 -14.334 -6.541 -0.527 702 H ARG 101 H ARG 101 -12.940 -3.008 -1.065 703 HA ARG 101 HA ARG 101 -10.776 -1.324 -1.806 704 HB2 ARG 101 2HB ARG 101 -13.627 -0.564 -1.145 705 HB3 ARG 101 3HB ARG 101 -12.465 0.429 -2.015 706 HG2 ARG 101 2HG ARG 101 -13.048 -2.263 -3.106 707 HG3 ARG 101 3HG ARG 101 -14.300 -1.028 -3.251 708 HD2 ARG 101 2HD ARG 101 -13.216 -0.071 -4.936 709 HD3 ARG 101 3HD ARG 101 -11.765 0.098 -3.948 710 HE ARG 101 HE ARG 101 -10.860 -1.662 -5.079 711 HH11 ARG 101 1HH1 ARG 101 -14.319 -1.756 -5.461 712 HH12 ARG 101 2HH1 ARG 101 -14.290 -3.078 -6.581 713 HH21 ARG 101 1HH2 ARG 101 -10.809 -3.402 -6.552 714 HH22 ARG 101 2HH2 ARG 101 -12.293 -4.014 -7.200 715 H THR 102 H THR 102 -12.584 -1.807 1.149 716 HA THR 102 HA THR 102 -11.629 0.539 2.470 717 HB THR 102 HB THR 102 -12.843 -1.982 3.616 718 HG1 THR 102 HG1 THR 102 -14.043 -0.372 2.150 719 HG21 THR 102 3HG2 THR 102 -13.296 0.215 5.305 720 HG22 THR 102 1HG2 THR 102 -11.580 0.259 4.902 721 HG23 THR 102 2HG2 THR 102 -12.280 -1.191 5.622 722 H LYS 103 H LYS 103 -10.761 -2.904 2.616 723 HA LYS 103 HA LYS 103 -8.679 -2.559 4.516 724 HB2 LYS 103 2HB LYS 103 -8.003 -4.854 3.835 725 HB3 LYS 103 3HB LYS 103 -9.707 -4.724 4.251 726 HG2 LYS 103 2HG LYS 103 -9.898 -5.943 2.353 727 HG3 LYS 103 3HG LYS 103 -9.927 -4.329 1.639 728 HD2 LYS 103 2HD LYS 103 -8.299 -5.187 0.326 729 HD3 LYS 103 3HD LYS 103 -7.270 -4.768 1.698 730 HE2 LYS 103 2HE LYS 103 -6.639 -6.937 1.437 731 HE3 LYS 103 3HE LYS 103 -8.023 -7.186 2.501 732 HZ1 LYS 103 3HZ LYS 103 -8.809 -8.524 0.933 733 HZ2 LYS 103 1HZ LYS 103 -7.639 -8.042 -0.189 734 HZ3 LYS 103 2HZ LYS 103 -9.072 -7.159 -0.030 735 H MET 104 H MET 104 -8.813 -2.521 1.006 736 HA MET 104 HA MET 104 -5.991 -2.550 0.606 737 HB2 MET 104 2HB MET 104 -8.355 -1.900 -1.127 738 HB3 MET 104 3HB MET 104 -6.720 -1.590 -1.697 739 HG2 MET 104 2HG MET 104 -6.835 -4.229 -0.637 740 HG3 MET 104 3HG MET 104 -8.174 -4.004 -1.760 741 HE1 MET 104 3HE MET 104 -5.639 -5.731 -1.452 742 HE2 MET 104 1HE MET 104 -5.330 -6.104 -3.148 743 HE3 MET 104 2HE MET 104 -4.167 -5.147 -2.230 744 H LEU 105 H LEU 105 -8.438 0.031 0.585 745 HA LEU 105 HA LEU 105 -6.767 2.169 -0.023 746 HB2 LEU 105 2HB LEU 105 -9.328 1.922 1.499 747 HB3 LEU 105 3HB LEU 105 -8.493 3.472 1.423 748 HG LEU 105 HG LEU 105 -9.303 1.947 -1.042 749 HD11 LEU 105 1HD1 LEU 105 -11.392 2.798 -1.014 750 HD12 LEU 105 2HD1 LEU 105 -10.902 4.269 -0.176 751 HD13 LEU 105 3HD1 LEU 105 -11.139 2.776 0.731 752 HD21 LEU 105 3HD2 LEU 105 -7.659 4.132 -0.675 753 HD22 LEU 105 1HD2 LEU 105 -9.208 4.850 -1.118 754 HD23 LEU 105 2HD2 LEU 105 -8.450 3.663 -2.181 755 H TYR 106 H TYR 106 -7.247 0.458 2.978 756 HA TYR 106 HA TYR 106 -6.197 2.319 4.778 757 HB2 TYR 106 2HB TYR 106 -7.315 0.376 5.621 758 HB3 TYR 106 3HB TYR 106 -6.181 -0.701 4.813 759 HD1 TYR 106 HD1 TYR 106 -6.217 2.034 7.359 760 HD2 TYR 106 HD2 TYR 106 -4.451 -1.609 6.049 761 HE1 TYR 106 HE1 TYR 106 -4.829 1.985 9.388 762 HE2 TYR 106 HE2 TYR 106 -3.059 -1.669 8.076 763 HH TYR 106 HH TYR 106 -2.654 0.976 10.106 764 H SER 107 H SER 107 -4.617 0.078 2.597 765 HA SER 107 HA SER 107 -1.989 0.745 3.677 766 HB2 SER 107 2HB SER 107 -3.048 -1.563 2.518 767 HB3 SER 107 3HB SER 107 -1.964 -0.912 1.289 768 HG SER 107 HG SER 107 -1.142 -2.372 3.111 769 H SER 108 H SER 108 -3.991 1.297 0.860 770 HA SER 108 HA SER 108 -1.981 2.388 -0.810 771 HB2 SER 108 2HB SER 108 -4.935 2.234 -0.823 772 HB3 SER 108 3HB SER 108 -4.240 3.581 -1.724 773 HG SER 108 HG SER 108 -3.468 2.232 -3.157 774 H SER 109 H SER 109 -4.277 3.836 1.461 775 HA SER 109 HA SER 109 -3.305 6.508 0.930 776 HB2 SER 109 2HB SER 109 -5.709 5.955 1.513 777 HB3 SER 109 3HB SER 109 -5.156 5.642 3.158 778 HG SER 109 HG SER 109 -5.952 7.861 2.541 779 H ARG 110 H ARG 110 -2.486 3.915 2.979 780 HA ARG 110 HA ARG 110 -1.520 5.277 5.239 781 HB2 ARG 110 2HB ARG 110 -1.504 2.601 4.230 782 HB3 ARG 110 3HB ARG 110 0.121 3.010 4.763 783 HG2 ARG 110 2HG ARG 110 -1.910 3.848 6.660 784 HG3 ARG 110 3HG ARG 110 -1.941 2.112 6.348 785 HD2 ARG 110 2HD ARG 110 0.714 2.509 6.602 786 HD3 ARG 110 3HD ARG 110 0.105 3.769 7.675 787 HE ARG 110 HE ARG 110 -0.604 2.147 9.138 788 HH11 ARG 110 1HH1 ARG 110 0.247 0.685 6.095 789 HH12 ARG 110 2HH1 ARG 110 0.149 -0.936 6.698 790 HH21 ARG 110 1HH2 ARG 110 -0.736 0.017 9.944 791 HH22 ARG 110 2HH2 ARG 110 -0.411 -1.315 8.887 792 H ASP 111 H ASP 111 -0.017 4.479 2.150 793 HA ASP 111 HA ASP 111 2.615 5.220 2.793 794 HB2 ASP 111 2HB ASP 111 1.878 3.941 0.752 795 HB3 ASP 111 3HB ASP 111 1.311 5.466 0.077 796 H ALA 112 H ALA 112 -0.102 7.091 1.518 797 HA ALA 112 HA ALA 112 1.443 9.510 1.295 798 HB1 ALA 112 1HB ALA 112 -1.213 8.614 0.547 799 HB2 ALA 112 2HB ALA 112 -1.218 10.247 1.214 800 HB3 ALA 112 3HB ALA 112 -0.196 9.864 -0.171 801 H LEU 113 H LEU 113 -0.541 7.983 3.700 802 HA LEU 113 HA LEU 113 -0.851 10.383 5.284 803 HB2 LEU 113 2HB LEU 113 -1.776 7.582 5.420 804 HB3 LEU 113 3HB LEU 113 -1.570 8.409 6.962 805 HG LEU 113 HG LEU 113 -3.109 9.892 4.936 806 HD11 LEU 113 1HD1 LEU 113 -4.660 7.788 6.312 807 HD12 LEU 113 2HD1 LEU 113 -3.690 7.283 4.930 808 HD13 LEU 113 3HD1 LEU 113 -4.910 8.541 4.737 809 HD21 LEU 113 3HD2 LEU 113 -2.728 9.855 7.737 810 HD22 LEU 113 1HD2 LEU 113 -4.425 9.484 7.430 811 HD23 LEU 113 2HD2 LEU 113 -3.715 10.962 6.781 812 H VAL 114 H VAL 114 1.509 7.984 4.870 813 HA VAL 114 HA VAL 114 2.575 7.748 7.454 814 HB VAL 114 HB VAL 114 3.635 7.316 4.707 815 HG11 VAL 114 1HG1 VAL 114 5.332 7.688 7.152 816 HG12 VAL 114 2HG1 VAL 114 5.843 6.645 5.824 817 HG13 VAL 114 3HG1 VAL 114 5.552 8.361 5.538 818 HG21 VAL 114 3HG2 VAL 114 3.241 5.192 5.236 819 HG22 VAL 114 1HG2 VAL 114 4.246 5.316 6.681 820 HG23 VAL 114 2HG2 VAL 114 2.538 5.751 6.754 821 HA PRO 115 HA PRO 115 5.538 11.388 6.269 822 HB2 PRO 115 2HB PRO 115 4.867 12.859 4.088 823 HB3 PRO 115 3HB PRO 115 5.908 11.433 4.002 824 HG2 PRO 115 2HG PRO 115 2.987 11.685 3.397 825 HG3 PRO 115 3HG PRO 115 4.244 10.811 2.502 826 HD2 PRO 115 2HD PRO 115 2.518 9.569 4.179 827 HD3 PRO 115 3HD PRO 115 4.184 9.005 3.933 828 H LEU 116 H LEU 116 2.111 11.817 5.519 829 HA LEU 116 HA LEU 116 1.962 14.517 6.402 830 HB2 LEU 116 2HB LEU 116 0.259 12.660 5.159 831 HB3 LEU 116 3HB LEU 116 -0.542 13.135 6.656 832 HG LEU 116 HG LEU 116 -1.355 14.547 4.925 833 HD11 LEU 116 1HD1 LEU 116 -1.276 16.335 6.234 834 HD12 LEU 116 2HD1 LEU 116 0.429 16.595 5.869 835 HD13 LEU 116 3HD1 LEU 116 -0.036 15.519 7.186 836 HD21 LEU 116 3HD2 LEU 116 -0.027 15.740 3.387 837 HD22 LEU 116 1HD2 LEU 116 0.637 14.106 3.419 838 HD23 LEU 116 2HD2 LEU 116 1.454 15.407 4.286 839 H THR 117 H THR 117 1.066 11.420 7.900 840 HA THR 117 HA THR 117 0.809 12.805 10.481 841 HB THR 117 HB THR 117 -0.527 11.000 11.264 842 HG1 THR 117 HG1 THR 117 -0.088 9.065 10.552 843 HG21 THR 117 3HG2 THR 117 -1.660 12.577 9.733 844 HG22 THR 117 1HG2 THR 117 -2.380 10.968 9.699 845 HG23 THR 117 2HG2 THR 117 -1.317 11.487 8.390 846 H GLN 118 H GLN 118 3.386 12.473 9.663 847 HA GLN 118 HA GLN 118 4.477 10.021 10.722 848 HB2 GLN 118 2HB GLN 118 6.612 10.868 10.062 849 HB3 GLN 118 3HB GLN 118 5.471 11.265 8.783 850 HG2 GLN 118 2HG GLN 118 5.269 13.545 9.811 851 HG3 GLN 118 3HG GLN 118 6.613 13.107 10.864 852 HE21 GLN 118 1HE2 GLN 118 7.336 15.141 9.645 853 HE22 GLN 118 2HE2 GLN 118 8.263 14.865 8.214 854 H GLY 119 H GLY 119 5.273 9.672 12.711 855 HA2 GLY 119 2HA GLY 119 6.397 10.375 14.705 856 HA3 GLY 119 3HA GLY 119 5.738 11.987 14.465 857 H PHE 120 H PHE 120 3.466 9.543 13.899 858 HA PHE 120 HA PHE 120 2.437 9.753 16.648 859 HB2 PHE 120 2HB PHE 120 0.667 9.745 14.205 860 HB3 PHE 120 3HB PHE 120 0.213 10.097 15.869 861 HD1 PHE 120 HD2 PHE 120 2.292 11.980 16.693 862 HD2 PHE 120 HD1 PHE 120 0.186 11.661 13.008 863 HE1 PHE 120 HE2 PHE 120 2.654 14.378 16.283 864 HE2 PHE 120 HE1 PHE 120 0.545 14.059 12.591 865 HZ PHE 120 HZ PHE 120 1.779 15.422 14.230 866 H GLN 121 H GLN 121 1.140 7.995 17.367 867 HA GLN 121 HA GLN 121 1.977 5.468 16.253 868 HB2 GLN 121 2HB GLN 121 0.118 6.002 18.575 869 HB3 GLN 121 3HB GLN 121 0.895 4.473 18.188 870 HG2 GLN 121 2HG GLN 121 2.408 6.978 18.873 871 HG3 GLN 121 3HG GLN 121 1.936 5.762 20.058 872 HE21 GLN 121 1HE2 GLN 121 4.592 6.633 19.291 873 HE22 GLN 121 2HE2 GLN 121 5.422 5.229 18.723 874 H GLY 122 H GLY 122 0.948 4.638 14.558 875 HA2 GLY 122 2HA GLY 122 -1.936 5.141 14.266 876 HA3 GLY 122 3HA GLY 122 -0.848 4.665 12.971 877 H ILE 123 H ILE 123 -3.306 3.600 14.832 878 HA ILE 123 HA ILE 123 -2.499 0.795 14.461 879 HB ILE 123 HB ILE 123 -4.081 1.803 16.827 880 HG12 ILE 123 2HG1 ILE 123 -1.722 0.694 17.768 881 HG13 ILE 123 3HG1 ILE 123 -1.205 1.611 16.358 882 HG21 ILE 123 1HG2 ILE 123 -4.699 -0.434 16.294 883 HG22 ILE 123 2HG2 ILE 123 -3.016 -0.909 16.071 884 HG23 ILE 123 3HG2 ILE 123 -3.613 -0.508 17.681 885 HD11 ILE 123 3HD1 ILE 123 -2.438 3.575 17.323 886 HD12 ILE 123 1HD1 ILE 123 -2.632 2.625 18.797 887 HD13 ILE 123 2HD1 ILE 123 -1.017 3.043 18.223 888 H GLN 124 H GLN 124 -4.032 -0.547 13.641 889 HA GLN 124 HA GLN 124 -6.624 0.679 12.979 890 HB2 GLN 124 2HB GLN 124 -6.723 -0.916 11.106 891 HB3 GLN 124 3HB GLN 124 -5.304 0.119 11.015 892 HG2 GLN 124 2HG GLN 124 -4.193 -1.777 10.649 893 HG3 GLN 124 3HG GLN 124 -4.329 -2.010 12.391 894 HE21 GLN 124 1HE2 GLN 124 -3.989 -4.184 10.870 895 HE22 GLN 124 2HE2 GLN 124 -5.447 -5.106 10.773 896 H ALA 125 H ALA 125 -8.324 -0.064 14.044 897 HA ALA 125 HA ALA 125 -8.532 -2.902 14.666 898 HB1 ALA 125 1HB ALA 125 -8.348 -0.742 16.718 899 HB2 ALA 125 2HB ALA 125 -9.346 -2.163 17.030 900 HB3 ALA 125 3HB ALA 125 -7.622 -2.350 16.709 901 H ASN 126 H ASN 126 -10.599 -3.650 14.629 902 HA ASN 126 HA ASN 126 -12.663 -1.715 13.880 903 HB2 ASN 126 2HB ASN 126 -13.843 -3.516 12.885 904 HB3 ASN 126 3HB ASN 126 -12.151 -3.777 12.473 905 HD21 ASN 126 1HD2 ASN 126 -14.585 -5.550 12.864 906 HD22 ASN 126 2HD2 ASN 126 -14.013 -6.814 13.894 907 H ASP 127 H ASP 127 -14.815 -1.904 14.771 908 HA ASP 127 HA ASP 127 -16.313 -2.027 16.479 909 HB2 ASP 127 2HB ASP 127 -15.298 -4.544 16.304 910 HB3 ASP 127 3HB ASP 127 -14.895 -4.143 17.971 911 H ALA 128 H ALA 128 -15.934 -2.670 19.200 912 HA ALA 128 HA ALA 128 -15.109 -0.260 20.270 913 HB1 ALA 128 1HB ALA 128 -15.153 -2.967 21.599 914 HB2 ALA 128 2HB ALA 128 -15.041 -1.421 22.442 915 HB3 ALA 128 3HB ALA 128 -16.486 -1.815 21.512 916 H SER 129 H SER 129 -13.209 -3.001 19.323 917 HA SER 129 HA SER 129 -10.903 -2.573 20.852 918 HB2 SER 129 2HB SER 129 -11.028 -3.660 18.030 919 HB3 SER 129 3HB SER 129 -9.745 -3.933 19.208 920 HG SER 129 HG SER 129 -12.330 -4.611 19.977 921 H GLY 130 H GLY 130 -12.192 -0.841 18.166 922 HA2 GLY 130 2HA GLY 130 -9.643 0.590 17.799 923 HA3 GLY 130 3HA GLY 130 -10.961 0.557 16.637 924 H LEU 131 H LEU 131 -11.058 1.195 20.124 925 HA LEU 131 HA LEU 131 -11.226 3.988 19.969 926 HB2 LEU 131 2HB LEU 131 -13.732 4.085 20.571 927 HB3 LEU 131 3HB LEU 131 -13.258 3.939 18.879 928 HG LEU 131 HG LEU 131 -13.663 1.333 20.032 929 HD11 LEU 131 1HD1 LEU 131 -15.185 2.265 21.581 930 HD12 LEU 131 2HD1 LEU 131 -16.159 1.600 20.270 931 HD13 LEU 131 3HD1 LEU 131 -15.878 3.339 20.365 932 HD21 LEU 131 3HD2 LEU 131 -15.289 1.195 18.154 933 HD22 LEU 131 1HD2 LEU 131 -13.679 1.726 17.667 934 HD23 LEU 131 2HD2 LEU 131 -14.986 2.901 17.823 935 H ASP 132 H ASP 132 -10.112 1.898 21.611 936 HA ASP 132 HA ASP 132 -11.544 2.075 24.139 937 HB2 ASP 132 2HB ASP 132 -9.161 0.522 23.174 938 HB3 ASP 132 3HB ASP 132 -9.482 0.679 24.899 939 H PHE 133 H PHE 133 -11.287 3.874 25.283 940 HA PHE 133 HA PHE 133 -9.324 5.791 25.001 941 HB2 PHE 133 2HB PHE 133 -11.491 5.288 26.786 942 HB3 PHE 133 3HB PHE 133 -10.089 5.749 27.745 943 HD1 PHE 133 HD1 PHE 133 -12.063 6.807 24.776 944 HD2 PHE 133 HD2 PHE 133 -9.567 7.985 28.017 945 HE1 PHE 133 HE1 PHE 133 -12.476 9.171 24.231 946 HE2 PHE 133 HE2 PHE 133 -9.977 10.350 27.477 947 HZ PHE 133 HZ PHE 133 -11.433 10.946 25.582 948 H GLU 134 H GLU 134 -9.415 3.094 27.313 949 HA GLU 134 HA GLU 134 -7.047 3.658 28.668 950 HB2 GLU 134 2HB GLU 134 -8.919 1.509 28.538 951 HB3 GLU 134 3HB GLU 134 -7.300 0.833 28.436 952 HG2 GLU 134 2HG GLU 134 -6.707 2.131 30.479 953 HG3 GLU 134 3HG GLU 134 -8.404 2.591 30.611 954 H GLU 135 H GLU 135 -7.597 2.047 25.602 955 HA GLU 135 HA GLU 135 -4.977 1.004 25.293 956 HB2 GLU 135 2HB GLU 135 -6.976 0.214 24.030 957 HB3 GLU 135 3HB GLU 135 -6.961 1.724 23.130 958 HG2 GLU 135 2HG GLU 135 -4.811 1.195 22.186 959 HG3 GLU 135 3HG GLU 135 -4.700 -0.261 23.173 960 H ILE 136 H ILE 136 -6.521 4.027 24.331 961 HA ILE 136 HA ILE 136 -4.371 5.009 22.773 962 HB ILE 136 HB ILE 136 -6.529 6.548 24.221 963 HG12 ILE 136 2HG1 ILE 136 -6.443 5.920 21.281 964 HG13 ILE 136 3HG1 ILE 136 -7.141 4.781 22.428 965 HG21 ILE 136 1HG2 ILE 136 -5.423 8.377 23.621 966 HG22 ILE 136 2HG2 ILE 136 -4.215 7.421 22.763 967 HG23 ILE 136 3HG2 ILE 136 -5.688 7.928 21.936 968 HD11 ILE 136 3HD1 ILE 136 -9.048 5.883 22.316 969 HD12 ILE 136 1HD1 ILE 136 -8.255 7.308 22.988 970 HD13 ILE 136 2HD1 ILE 136 -8.321 7.076 21.240 971 H SER 137 H SER 137 -5.325 5.568 26.150 972 HA SER 137 HA SER 137 -3.234 7.359 26.763 973 HB2 SER 137 2HB SER 137 -5.073 5.649 28.410 974 HB3 SER 137 3HB SER 137 -3.751 6.524 29.181 975 HG SER 137 HG SER 137 -5.484 7.880 29.216 976 H ARG 138 H ARG 138 -3.496 3.851 26.932 977 HA ARG 138 HA ARG 138 -1.053 3.422 28.313 978 HB2 ARG 138 2HB ARG 138 -3.035 1.807 27.995 979 HB3 ARG 138 3HB ARG 138 -2.313 1.441 26.434 980 HG2 ARG 138 2HG ARG 138 -0.602 1.280 28.859 981 HG3 ARG 138 3HG ARG 138 -1.780 0.000 28.562 982 HD2 ARG 138 2HD ARG 138 -0.256 0.722 26.187 983 HD3 ARG 138 3HD ARG 138 0.761 0.147 27.508 984 HE ARG 138 HE ARG 138 -1.380 -1.617 27.260 985 HH11 ARG 138 1HH1 ARG 138 1.377 -0.567 25.411 986 HH12 ARG 138 2HH1 ARG 138 1.554 -2.074 24.574 987 HH21 ARG 138 1HH2 ARG 138 -1.157 -3.606 26.165 988 HH22 ARG 138 2HH2 ARG 138 0.111 -3.801 25.003 989 H LYS 139 H LYS 139 -1.929 3.627 24.909 990 HA LYS 139 HA LYS 139 0.559 2.754 23.872 991 HB2 LYS 139 2HB LYS 139 -1.831 3.156 22.755 992 HB3 LYS 139 3HB LYS 139 -1.093 4.696 22.335 993 HG2 LYS 139 2HG LYS 139 -0.713 3.277 20.502 994 HG3 LYS 139 3HG LYS 139 0.824 3.364 21.365 995 HD2 LYS 139 2HD LYS 139 0.822 1.167 21.754 996 HD3 LYS 139 3HD LYS 139 -0.838 1.207 22.353 997 HE2 LYS 139 2HE LYS 139 -1.619 1.234 19.989 998 HE3 LYS 139 3HE LYS 139 0.055 1.025 19.478 999 HZ1 LYS 139 3HZ LYS 139 -1.610 -0.871 21.032 1000 HZ2 LYS 139 1HZ LYS 139 0.065 -1.041 20.867 1001 HZ3 LYS 139 2HZ LYS 139 -0.930 -1.104 19.501 1002 H VAL 140 H VAL 140 -0.800 5.998 24.406 1003 HA VAL 140 HA VAL 140 1.500 7.395 23.515 1004 HB VAL 140 HB VAL 140 -0.684 8.479 23.603 1005 HG11 VAL 140 1HG1 VAL 140 -0.447 8.527 26.601 1006 HG12 VAL 140 2HG1 VAL 140 -1.827 8.991 25.604 1007 HG13 VAL 140 3HG1 VAL 140 -1.366 7.293 25.738 1008 HG21 VAL 140 3HG2 VAL 140 0.012 10.585 24.745 1009 HG22 VAL 140 1HG2 VAL 140 1.410 9.720 25.382 1010 HG23 VAL 140 2HG2 VAL 140 1.223 9.933 23.641 1011 H LYS 141 H LYS 141 0.427 6.251 26.670 1012 HA LYS 141 HA LYS 141 2.349 7.584 28.234 1013 HB2 LYS 141 2HB LYS 141 0.618 5.177 28.618 1014 HB3 LYS 141 3HB LYS 141 1.902 5.493 29.777 1015 HG2 LYS 141 2HG LYS 141 0.946 7.522 30.454 1016 HG3 LYS 141 3HG LYS 141 -0.118 7.586 29.047 1017 HD2 LYS 141 2HD LYS 141 -1.605 6.088 29.932 1018 HD3 LYS 141 3HD LYS 141 -0.372 5.266 30.890 1019 HE2 LYS 141 2HE LYS 141 -0.552 6.728 32.627 1020 HE3 LYS 141 3HE LYS 141 -0.988 8.082 31.585 1021 HZ1 LYS 141 3HZ LYS 141 -2.701 6.673 33.147 1022 HZ2 LYS 141 1HZ LYS 141 -2.966 6.005 31.615 1023 HZ3 LYS 141 2HZ LYS 141 -3.145 7.670 31.855 1024 H SER 142 H SER 142 2.437 4.567 26.445 1025 HA SER 142 HA SER 142 4.972 3.750 27.541 1026 HB2 SER 142 2HB SER 142 3.038 2.286 26.519 1027 HB3 SER 142 3HB SER 142 3.865 2.617 24.997 1028 HG SER 142 HG SER 142 5.813 1.909 26.350 1029 H ASN 143 H ASN 143 3.823 5.316 24.603 1030 HA ASN 143 HA ASN 143 4.898 6.429 22.936 1031 HB2 ASN 143 2HB ASN 143 5.908 7.526 25.040 1032 HB3 ASN 143 3HB ASN 143 7.338 6.556 24.697 1033 HD21 ASN 143 1HD2 ASN 143 7.243 9.373 24.731 1034 HD22 ASN 143 2HD2 ASN 143 7.599 9.937 23.137 1035 H ARG 144 H ARG 144 5.059 3.546 23.039 1036 HA ARG 144 HA ARG 144 7.546 3.169 21.507 1037 HB2 ARG 144 2HB ARG 144 6.451 1.606 23.759 1038 HB3 ARG 144 3HB ARG 144 7.022 0.656 22.393 1039 HG2 ARG 144 2HG ARG 144 9.211 1.621 22.561 1040 HG3 ARG 144 3HG ARG 144 8.663 2.745 23.806 1041 HD2 ARG 144 2HD ARG 144 7.979 0.537 25.048 1042 HD3 ARG 144 3HD ARG 144 9.182 -0.186 23.982 1043 HE ARG 144 HE ARG 144 9.677 1.460 26.260 1044 HH11 ARG 144 1HH1 ARG 144 10.898 0.563 23.126 1045 HH12 ARG 144 2HH1 ARG 144 12.544 0.935 23.516 1046 HH21 ARG 144 1HH2 ARG 144 11.841 1.953 26.786 1047 HH22 ARG 144 2HH2 ARG 144 13.080 1.725 25.599 Start of MODEL 10 1 H MET 9 H MET 9 -6.945 -4.220 -9.097 2 HA MET 9 HA MET 9 -6.723 -2.997 -7.137 3 HB2 MET 9 2HB MET 9 -5.823 -4.464 -5.349 4 HB3 MET 9 3HB MET 9 -6.963 -5.287 -6.406 5 HG2 MET 9 2HG MET 9 -5.447 -6.775 -7.065 6 HG3 MET 9 3HG MET 9 -4.210 -5.542 -7.298 7 HE1 MET 9 3HE MET 9 -2.521 -8.035 -5.946 8 HE2 MET 9 1HE MET 9 -3.617 -8.784 -4.784 9 HE3 MET 9 2HE MET 9 -4.163 -8.463 -6.430 10 H ALA 10 H ALA 10 -5.172 -2.265 -5.363 11 HA ALA 10 HA ALA 10 -3.361 -1.020 -4.769 12 HB1 ALA 10 1HB ALA 10 -1.751 -2.749 -6.630 13 HB2 ALA 10 2HB ALA 10 -1.213 -1.918 -5.170 14 HB3 ALA 10 3HB ALA 10 -2.303 -3.298 -5.047 15 H MET 11 H MET 11 -4.943 -0.338 -7.198 16 HA MET 11 HA MET 11 -2.919 1.160 -8.716 17 HB2 MET 11 2HB MET 11 -4.570 1.356 -10.484 18 HB3 MET 11 3HB MET 11 -4.381 -0.332 -10.031 19 HG2 MET 11 2HG MET 11 -6.424 0.418 -8.415 20 HG3 MET 11 3HG MET 11 -6.710 1.430 -9.828 21 HE1 MET 11 3HE MET 11 -8.441 0.389 -11.710 22 HE2 MET 11 1HE MET 11 -6.753 0.607 -12.173 23 HE3 MET 11 2HE MET 11 -7.606 -0.868 -12.624 24 H SER 12 H SER 12 -5.736 1.461 -6.695 25 HA SER 12 HA SER 12 -6.472 4.098 -7.242 26 HB2 SER 12 2HB SER 12 -6.924 2.165 -5.076 27 HB3 SER 12 3HB SER 12 -6.990 3.848 -4.556 28 HG SER 12 HG SER 12 -8.989 3.568 -5.260 29 H GLY 13 H GLY 13 -4.778 3.145 -4.258 30 HA2 GLY 13 2HA GLY 13 -2.715 4.041 -3.500 31 HA3 GLY 13 3HA GLY 13 -2.891 5.354 -4.655 32 H VAL 14 H VAL 14 -5.363 6.341 -4.108 33 HA VAL 14 HA VAL 14 -6.461 7.791 -2.739 34 HB VAL 14 HB VAL 14 -5.499 5.817 -0.675 35 HG11 VAL 14 1HG1 VAL 14 -6.983 8.378 -0.337 36 HG12 VAL 14 2HG1 VAL 14 -7.413 7.001 0.679 37 HG13 VAL 14 3HG1 VAL 14 -5.766 7.634 0.700 38 HG21 VAL 14 3HG2 VAL 14 -8.274 6.344 -1.727 39 HG22 VAL 14 1HG2 VAL 14 -7.193 5.109 -2.372 40 HG23 VAL 14 2HG2 VAL 14 -7.750 5.009 -0.702 41 H SER 15 H SER 15 -5.456 9.715 -2.887 42 HA SER 15 HA SER 15 -3.010 10.165 -1.336 43 HB2 SER 15 2HB SER 15 -3.747 10.936 -3.909 44 HB3 SER 15 3HB SER 15 -3.897 12.413 -2.957 45 HG SER 15 HG SER 15 -1.805 12.387 -3.518 46 H VAL 16 H VAL 16 -2.902 11.570 0.336 47 HA VAL 16 HA VAL 16 -5.340 12.375 1.589 48 HB VAL 16 HB VAL 16 -3.467 11.719 2.970 49 HG11 VAL 16 1HG1 VAL 16 -1.963 13.258 1.153 50 HG12 VAL 16 2HG1 VAL 16 -1.765 14.004 2.739 51 HG13 VAL 16 3HG1 VAL 16 -1.375 12.299 2.511 52 HG21 VAL 16 3HG2 VAL 16 -3.999 14.673 3.277 53 HG22 VAL 16 1HG2 VAL 16 -5.046 13.379 3.861 54 HG23 VAL 16 2HG2 VAL 16 -3.429 13.576 4.535 55 H ALA 17 H ALA 17 -6.450 14.177 1.259 56 HA ALA 17 HA ALA 17 -5.585 16.199 -0.528 57 HB1 ALA 17 1HB ALA 17 -7.914 16.081 1.378 58 HB2 ALA 17 2HB ALA 17 -7.652 17.389 0.224 59 HB3 ALA 17 3HB ALA 17 -7.920 15.744 -0.353 60 H ASP 18 H ASP 18 -5.181 18.419 -0.099 61 HA ASP 18 HA ASP 18 -3.365 18.918 1.962 62 HB2 ASP 18 2HB ASP 18 -4.923 20.719 0.125 63 HB3 ASP 18 3HB ASP 18 -3.861 21.386 1.363 64 H GLU 19 H GLU 19 -6.830 19.197 1.859 65 HA GLU 19 HA GLU 19 -7.259 20.947 3.993 66 HB2 GLU 19 2HB GLU 19 -9.480 19.850 4.189 67 HB3 GLU 19 3HB GLU 19 -9.076 20.310 2.541 68 HG2 GLU 19 2HG GLU 19 -8.151 17.781 2.573 69 HG3 GLU 19 3HG GLU 19 -9.482 17.649 3.721 70 H CYS 20 H CYS 20 -6.823 17.433 3.957 71 HA CYS 20 HA CYS 20 -7.265 17.036 6.719 72 HB2 CYS 20 2HB CYS 20 -5.560 15.339 4.889 73 HB3 CYS 20 3HB CYS 20 -6.335 14.833 6.386 74 HG CYS 20 HG CYS 20 -7.464 14.489 3.412 75 H VAL 21 H VAL 21 -4.329 17.583 4.819 76 HA VAL 21 HA VAL 21 -2.446 17.201 6.846 77 HB VAL 21 HB VAL 21 -2.214 19.199 4.595 78 HG11 VAL 21 1HG1 VAL 21 0.235 18.364 4.816 79 HG12 VAL 21 2HG1 VAL 21 -0.382 19.553 5.964 80 HG13 VAL 21 3HG1 VAL 21 -0.270 17.855 6.427 81 HG21 VAL 21 3HG2 VAL 21 -0.901 16.884 3.833 82 HG22 VAL 21 1HG2 VAL 21 -2.411 16.306 4.537 83 HG23 VAL 21 2HG2 VAL 21 -2.444 17.465 3.209 84 H THR 22 H THR 22 -3.959 20.231 5.739 85 HA THR 22 HA THR 22 -2.742 21.898 7.647 86 HB THR 22 HB THR 22 -5.476 22.423 6.499 87 HG1 THR 22 HG1 THR 22 -4.624 22.607 4.568 88 HG21 THR 22 3HG2 THR 22 -4.807 24.105 8.026 89 HG22 THR 22 1HG2 THR 22 -4.498 24.764 6.420 90 HG23 THR 22 2HG2 THR 22 -3.164 24.136 7.388 91 H ALA 23 H ALA 23 -5.804 20.126 7.687 92 HA ALA 23 HA ALA 23 -6.877 21.174 10.039 93 HB1 ALA 23 1HB ALA 23 -8.209 19.118 10.150 94 HB2 ALA 23 2HB ALA 23 -8.170 19.788 8.518 95 HB3 ALA 23 3HB ALA 23 -7.175 18.389 8.921 96 H LEU 24 H LEU 24 -4.700 18.412 9.562 97 HA LEU 24 HA LEU 24 -4.599 17.677 12.302 98 HB2 LEU 24 2HB LEU 24 -2.762 17.100 9.988 99 HB3 LEU 24 3HB LEU 24 -2.544 16.414 11.596 100 HG LEU 24 HG LEU 24 -5.047 15.999 9.976 101 HD11 LEU 24 1HD1 LEU 24 -3.219 15.131 8.666 102 HD12 LEU 24 2HD1 LEU 24 -4.106 13.792 9.394 103 HD13 LEU 24 3HD1 LEU 24 -2.559 14.298 10.075 104 HD21 LEU 24 3HD2 LEU 24 -4.705 15.602 12.586 105 HD22 LEU 24 1HD2 LEU 24 -4.028 14.084 11.995 106 HD23 LEU 24 2HD2 LEU 24 -5.685 14.529 11.586 107 H ASN 25 H ASN 25 -2.580 19.724 10.249 108 HA ASN 25 HA ASN 25 -0.473 20.173 12.019 109 HB2 ASN 25 2HB ASN 25 -1.453 21.330 9.555 110 HB3 ASN 25 3HB ASN 25 -0.856 22.586 10.637 111 HD21 ASN 25 1HD2 ASN 25 -0.001 20.523 8.244 112 HD22 ASN 25 2HD2 ASN 25 1.699 20.424 8.535 113 H ASP 26 H ASP 26 -3.516 21.957 11.616 114 HA ASP 26 HA ASP 26 -2.943 23.844 13.675 115 HB2 ASP 26 2HB ASP 26 -5.725 23.170 12.762 116 HB3 ASP 26 3HB ASP 26 -5.074 24.727 13.267 117 H LEU 27 H LEU 27 -4.689 20.789 13.528 118 HA LEU 27 HA LEU 27 -5.956 20.853 16.004 119 HB2 LEU 27 2HB LEU 27 -6.232 19.151 14.170 120 HB3 LEU 27 3HB LEU 27 -4.742 18.404 14.741 121 HG LEU 27 HG LEU 27 -6.169 18.439 17.032 122 HD11 LEU 27 1HD1 LEU 27 -8.393 17.394 15.680 123 HD12 LEU 27 2HD1 LEU 27 -8.066 18.965 14.949 124 HD13 LEU 27 3HD1 LEU 27 -8.322 18.838 16.689 125 HD21 LEU 27 3HD2 LEU 27 -6.339 16.133 16.782 126 HD22 LEU 27 1HD2 LEU 27 -5.000 16.558 15.715 127 HD23 LEU 27 2HD2 LEU 27 -6.599 16.241 15.041 128 H ARG 28 H ARG 28 -2.687 19.770 15.161 129 HA ARG 28 HA ARG 28 -1.962 18.850 17.719 130 HB2 ARG 28 2HB ARG 28 0.153 18.563 16.860 131 HB3 ARG 28 3HB ARG 28 -0.788 18.614 15.376 132 HG2 ARG 28 2HG ARG 28 0.823 20.074 14.779 133 HG3 ARG 28 3HG ARG 28 -0.239 21.214 15.609 134 HD2 ARG 28 2HD ARG 28 1.626 21.745 16.749 135 HD3 ARG 28 3HD ARG 28 1.238 20.300 17.682 136 HE ARG 28 HE ARG 28 2.759 19.410 15.581 137 HH11 ARG 28 1HH1 ARG 28 3.165 21.715 18.159 138 HH12 ARG 28 2HH1 ARG 28 4.881 21.497 18.259 139 HH21 ARG 28 1HH2 ARG 28 5.017 19.115 15.702 140 HH22 ARG 28 2HH2 ARG 28 5.934 20.019 16.860 141 H HIS 29 H HIS 29 -2.227 22.025 16.393 142 HA HIS 29 HA HIS 29 -0.684 23.207 18.577 143 HB2 HIS 29 2HB HIS 29 -1.108 23.926 15.892 144 HB3 HIS 29 3HB HIS 29 -1.953 25.140 16.848 145 HD1 HIS 29 HD1 HIS 29 0.127 25.144 19.235 146 HD2 HIS 29 HD2 HIS 29 1.036 25.516 15.198 147 HE1 HIS 29 HE1 HIS 29 2.349 26.318 19.151 148 H LYS 30 H LYS 30 -3.419 21.890 18.766 149 HA LYS 30 HA LYS 30 -5.325 22.169 19.976 150 HB2 LYS 30 2HB LYS 30 -4.067 24.707 21.022 151 HB3 LYS 30 3HB LYS 30 -5.317 23.739 21.792 152 HG2 LYS 30 2HG LYS 30 -3.599 21.863 21.858 153 HG3 LYS 30 3HG LYS 30 -2.406 23.099 21.452 154 HD2 LYS 30 2HD LYS 30 -2.309 23.080 23.761 155 HD3 LYS 30 3HD LYS 30 -3.457 24.386 23.457 156 HE2 LYS 30 2HE LYS 30 -4.354 23.030 25.201 157 HE3 LYS 30 3HE LYS 30 -5.299 22.719 23.746 158 HZ1 LYS 30 3HZ LYS 30 -4.610 20.601 23.653 159 HZ2 LYS 30 1HZ LYS 30 -4.251 20.809 25.293 160 HZ3 LYS 30 2HZ LYS 30 -3.029 20.965 24.134 161 H LYS 31 H LYS 31 -5.508 22.979 17.388 162 HA LYS 31 HA LYS 31 -6.523 25.632 17.113 163 HB2 LYS 31 2HB LYS 31 -5.567 24.516 15.195 164 HB3 LYS 31 3HB LYS 31 -6.732 23.205 15.326 165 HG2 LYS 31 2HG LYS 31 -8.199 25.609 15.122 166 HG3 LYS 31 3HG LYS 31 -6.941 25.647 13.885 167 HD2 LYS 31 2HD LYS 31 -7.847 23.085 13.673 168 HD3 LYS 31 3HD LYS 31 -9.324 23.949 14.107 169 HE2 LYS 31 2HE LYS 31 -7.501 24.911 11.922 170 HE3 LYS 31 3HE LYS 31 -8.766 23.720 11.621 171 HZ1 LYS 31 3HZ LYS 31 -9.004 26.562 12.261 172 HZ2 LYS 31 1HZ LYS 31 -10.205 25.527 12.851 173 HZ3 LYS 31 2HZ LYS 31 -9.907 25.617 11.188 174 H SER 32 H SER 32 -8.093 22.431 17.094 175 HA SER 32 HA SER 32 -10.563 23.749 18.008 176 HB2 SER 32 2HB SER 32 -11.346 21.422 16.652 177 HB3 SER 32 3HB SER 32 -11.561 23.087 16.112 178 HG SER 32 HG SER 32 -9.244 21.519 15.630 179 H ARG 33 H ARG 33 -9.719 20.348 17.449 180 HA ARG 33 HA ARG 33 -9.185 19.617 20.083 181 HB2 ARG 33 2HB ARG 33 -11.895 20.246 19.745 182 HB3 ARG 33 3HB ARG 33 -11.826 18.489 19.747 183 HG2 ARG 33 2HG ARG 33 -10.674 20.275 21.879 184 HG3 ARG 33 3HG ARG 33 -12.210 19.413 21.982 185 HD2 ARG 33 2HD ARG 33 -10.517 17.397 21.320 186 HD3 ARG 33 3HD ARG 33 -9.459 18.427 22.284 187 HE ARG 33 HE ARG 33 -11.697 18.230 23.798 188 HH11 ARG 33 1HH1 ARG 33 -9.605 15.898 22.280 189 HH12 ARG 33 2HH1 ARG 33 -9.881 14.677 23.478 190 HH21 ARG 33 1HH2 ARG 33 -12.068 16.631 25.382 191 HH22 ARG 33 2HH2 ARG 33 -11.283 15.095 25.242 192 H TYR 34 H TYR 34 -11.341 18.292 17.565 193 HA TYR 34 HA TYR 34 -9.372 16.200 17.028 194 HB2 TYR 34 2HB TYR 34 -11.689 14.747 16.947 195 HB3 TYR 34 3HB TYR 34 -10.550 14.748 18.288 196 HD1 TYR 34 HD1 TYR 34 -13.421 16.814 17.062 197 HD2 TYR 34 HD2 TYR 34 -11.437 15.054 20.390 198 HE1 TYR 34 HE1 TYR 34 -15.188 17.654 18.553 199 HE2 TYR 34 HE2 TYR 34 -13.198 15.889 21.889 200 HH TYR 34 HH TYR 34 -14.901 17.530 21.995 201 H VAL 35 H VAL 35 -9.478 15.326 14.964 202 HA VAL 35 HA VAL 35 -11.511 16.437 13.155 203 HB VAL 35 HB VAL 35 -9.751 16.713 11.410 204 HG11 VAL 35 1HG1 VAL 35 -8.599 18.652 12.984 205 HG12 VAL 35 2HG1 VAL 35 -10.109 18.813 12.086 206 HG13 VAL 35 3HG1 VAL 35 -10.139 18.350 13.788 207 HG21 VAL 35 3HG2 VAL 35 -8.156 15.399 13.347 208 HG22 VAL 35 1HG2 VAL 35 -7.695 15.943 11.734 209 HG23 VAL 35 2HG2 VAL 35 -7.493 17.017 13.118 210 H ILE 36 H ILE 36 -12.488 14.904 12.017 211 HA ILE 36 HA ILE 36 -11.117 12.319 11.683 212 HB ILE 36 HB ILE 36 -14.091 12.712 11.477 213 HG12 ILE 36 2HG1 ILE 36 -12.494 12.022 13.953 214 HG13 ILE 36 3HG1 ILE 36 -13.398 13.509 13.690 215 HG21 ILE 36 1HG2 ILE 36 -14.126 10.534 11.053 216 HG22 ILE 36 2HG2 ILE 36 -12.364 10.554 11.007 217 HG23 ILE 36 3HG2 ILE 36 -13.202 10.192 12.516 218 HD11 ILE 36 3HD1 ILE 36 -14.574 11.927 15.143 219 HD12 ILE 36 1HD1 ILE 36 -15.474 12.278 13.668 220 HD13 ILE 36 2HD1 ILE 36 -14.599 10.754 13.827 221 H MET 37 H MET 37 -10.750 11.559 9.689 222 HA MET 37 HA MET 37 -12.140 12.821 7.427 223 HB2 MET 37 2HB MET 37 -9.177 12.345 7.726 224 HB3 MET 37 3HB MET 37 -9.940 12.627 6.167 225 HG2 MET 37 2HG MET 37 -9.930 14.813 6.487 226 HG3 MET 37 3HG MET 37 -10.749 14.642 8.038 227 HE1 MET 37 3HE MET 37 -7.697 14.060 10.455 228 HE2 MET 37 1HE MET 37 -9.453 14.171 10.333 229 HE3 MET 37 2HE MET 37 -8.603 12.811 9.599 230 H HIS 38 H HIS 38 -12.212 11.527 5.489 231 HA HIS 38 HA HIS 38 -11.602 8.683 5.854 232 HB2 HIS 38 2HB HIS 38 -13.763 7.949 5.271 233 HB3 HIS 38 3HB HIS 38 -14.037 9.247 6.430 234 HD1 HIS 38 HD1 HIS 38 -13.898 11.699 4.658 235 HD2 HIS 38 HD2 HIS 38 -15.836 8.196 3.546 236 HE1 HIS 38 HE1 HIS 38 -15.573 12.383 2.912 237 H ILE 39 H ILE 39 -11.889 7.463 3.753 238 HA ILE 39 HA ILE 39 -10.577 8.974 1.656 239 HB ILE 39 HB ILE 39 -11.355 6.060 1.611 240 HG12 ILE 39 2HG1 ILE 39 -8.777 7.334 2.554 241 HG13 ILE 39 3HG1 ILE 39 -9.961 6.526 3.576 242 HG21 ILE 39 1HG2 ILE 39 -9.623 5.857 -0.071 243 HG22 ILE 39 2HG2 ILE 39 -10.801 7.074 -0.558 244 HG23 ILE 39 3HG2 ILE 39 -9.237 7.571 0.088 245 HD11 ILE 39 3HD1 ILE 39 -7.938 5.391 1.746 246 HD12 ILE 39 1HD1 ILE 39 -8.491 4.828 3.323 247 HD13 ILE 39 2HD1 ILE 39 -9.474 4.537 1.888 248 H VAL 40 H VAL 40 -11.512 9.740 -0.128 249 HA VAL 40 HA VAL 40 -14.295 8.943 -0.681 250 HB VAL 40 HB VAL 40 -12.932 11.541 -1.406 251 HG11 VAL 40 1HG1 VAL 40 -15.725 10.509 -1.827 252 HG12 VAL 40 2HG1 VAL 40 -15.326 12.228 -1.881 253 HG13 VAL 40 3HG1 VAL 40 -14.587 11.113 -3.032 254 HG21 VAL 40 3HG2 VAL 40 -14.802 12.348 0.259 255 HG22 VAL 40 1HG2 VAL 40 -14.631 10.713 0.897 256 HG23 VAL 40 2HG2 VAL 40 -13.237 11.793 0.855 257 H ASP 41 H ASP 41 -14.727 7.984 -2.560 258 HA ASP 41 HA ASP 41 -14.497 7.133 -4.656 259 HB2 ASP 41 2HB ASP 41 -13.499 9.817 -4.802 260 HB3 ASP 41 3HB ASP 41 -12.529 8.786 -5.850 261 H GLN 42 H GLN 42 -12.445 6.682 -2.388 262 HA GLN 42 HA GLN 42 -10.505 5.532 -2.040 263 HB2 GLN 42 2HB GLN 42 -11.139 4.151 -4.642 264 HB3 GLN 42 3HB GLN 42 -10.309 3.491 -3.239 265 HG2 GLN 42 2HG GLN 42 -12.515 3.881 -1.996 266 HG3 GLN 42 3HG GLN 42 -13.226 4.057 -3.600 267 HE21 GLN 42 1HE2 GLN 42 -13.768 2.040 -1.610 268 HE22 GLN 42 2HE2 GLN 42 -13.388 0.517 -2.331 269 H LYS 43 H LYS 43 -10.265 8.005 -3.544 270 HA LYS 43 HA LYS 43 -7.653 7.482 -4.745 271 HB2 LYS 43 2HB LYS 43 -9.327 7.524 -6.591 272 HB3 LYS 43 3HB LYS 43 -9.760 9.162 -6.117 273 HG2 LYS 43 2HG LYS 43 -6.924 8.976 -6.482 274 HG3 LYS 43 3HG LYS 43 -7.761 8.361 -7.909 275 HD2 LYS 43 2HD LYS 43 -9.190 10.488 -7.742 276 HD3 LYS 43 3HD LYS 43 -7.935 11.083 -6.652 277 HE2 LYS 43 2HE LYS 43 -6.320 11.101 -8.322 278 HE3 LYS 43 3HE LYS 43 -7.209 9.960 -9.330 279 HZ1 LYS 43 3HZ LYS 43 -8.204 11.630 -10.366 280 HZ2 LYS 43 1HZ LYS 43 -7.207 12.712 -9.530 281 HZ3 LYS 43 2HZ LYS 43 -8.729 12.314 -8.911 282 H SER 44 H SER 44 -10.017 9.863 -3.631 283 HA SER 44 HA SER 44 -7.773 11.547 -2.735 284 HB2 SER 44 2HB SER 44 -9.833 13.332 -3.011 285 HB3 SER 44 3HB SER 44 -8.565 13.069 -4.209 286 HG SER 44 HG SER 44 -11.217 12.494 -4.342 287 H ILE 45 H ILE 45 -7.737 11.954 -0.625 288 HA ILE 45 HA ILE 45 -9.873 10.982 1.055 289 HB ILE 45 HB ILE 45 -7.364 12.447 1.876 290 HG12 ILE 45 2HG1 ILE 45 -7.884 9.475 1.644 291 HG13 ILE 45 3HG1 ILE 45 -6.825 10.419 0.602 292 HG21 ILE 45 1HG2 ILE 45 -8.024 12.203 3.988 293 HG22 ILE 45 2HG2 ILE 45 -9.614 11.787 3.350 294 HG23 ILE 45 3HG2 ILE 45 -8.457 10.512 3.732 295 HD11 ILE 45 3HD1 ILE 45 -6.254 9.161 3.098 296 HD12 ILE 45 1HD1 ILE 45 -5.158 9.966 1.976 297 HD13 ILE 45 2HD1 ILE 45 -5.975 10.897 3.231 298 H ALA 46 H ALA 46 -11.423 12.140 2.020 299 HA ALA 46 HA ALA 46 -11.189 15.074 2.021 300 HB1 ALA 46 1HB ALA 46 -12.795 13.859 0.275 301 HB2 ALA 46 2HB ALA 46 -13.889 13.916 1.658 302 HB3 ALA 46 3HB ALA 46 -13.196 15.407 1.019 303 H VAL 47 H VAL 47 -12.765 16.108 3.546 304 HA VAL 47 HA VAL 47 -12.576 14.814 6.106 305 HB VAL 47 HB VAL 47 -13.508 16.843 7.031 306 HG11 VAL 47 1HG1 VAL 47 -11.157 16.699 5.517 307 HG12 VAL 47 2HG1 VAL 47 -11.879 18.264 5.138 308 HG13 VAL 47 3HG1 VAL 47 -11.532 17.834 6.813 309 HG21 VAL 47 3HG2 VAL 47 -13.847 18.638 4.988 310 HG22 VAL 47 1HG2 VAL 47 -14.543 17.161 4.320 311 HG23 VAL 47 2HG2 VAL 47 -15.145 17.808 5.847 312 H LYS 48 H LYS 48 -14.169 13.919 7.318 313 HA LYS 48 HA LYS 48 -16.777 13.572 6.002 314 HB2 LYS 48 2HB LYS 48 -15.709 11.464 6.359 315 HB3 LYS 48 3HB LYS 48 -15.304 11.879 8.019 316 HG2 LYS 48 2HG LYS 48 -17.150 10.288 7.902 317 HG3 LYS 48 3HG LYS 48 -17.649 11.814 8.636 318 HD2 LYS 48 2HD LYS 48 -19.176 12.173 7.050 319 HD3 LYS 48 3HD LYS 48 -18.018 11.833 5.762 320 HE2 LYS 48 2HE LYS 48 -18.640 9.655 5.592 321 HE3 LYS 48 3HE LYS 48 -19.022 9.517 7.308 322 HZ1 LYS 48 3HZ LYS 48 -20.966 9.413 5.757 323 HZ2 LYS 48 1HZ LYS 48 -20.699 11.045 5.401 324 HZ3 LYS 48 2HZ LYS 48 -21.090 10.577 6.978 325 H THR 49 H THR 49 -15.324 14.020 9.221 326 HA THR 49 HA THR 49 -17.379 15.881 9.970 327 HB THR 49 HB THR 49 -17.263 13.212 11.388 328 HG1 THR 49 HG1 THR 49 -19.148 14.464 9.683 329 HG21 THR 49 3HG2 THR 49 -19.028 14.114 12.826 330 HG22 THR 49 1HG2 THR 49 -18.901 15.673 12.013 331 HG23 THR 49 2HG2 THR 49 -17.548 15.063 12.967 332 H ILE 50 H ILE 50 -16.075 17.399 10.776 333 HA ILE 50 HA ILE 50 -13.924 16.581 12.610 334 HB ILE 50 HB ILE 50 -14.244 19.127 11.019 335 HG12 ILE 50 2HG1 ILE 50 -12.110 16.994 10.837 336 HG13 ILE 50 3HG1 ILE 50 -13.527 17.046 9.794 337 HG21 ILE 50 1HG2 ILE 50 -11.928 19.610 11.885 338 HG22 ILE 50 2HG2 ILE 50 -13.227 19.738 13.070 339 HG23 ILE 50 3HG2 ILE 50 -12.184 18.317 13.056 340 HD11 ILE 50 3HD1 ILE 50 -11.101 18.215 9.290 341 HD12 ILE 50 1HD1 ILE 50 -12.623 18.596 8.485 342 HD13 ILE 50 2HD1 ILE 50 -12.084 19.565 9.857 343 H GLY 51 H GLY 51 -13.738 17.486 14.633 344 HA2 GLY 51 2HA GLY 51 -16.159 18.815 15.618 345 HA3 GLY 51 3HA GLY 51 -14.946 18.014 16.606 346 H GLU 52 H GLU 52 -15.312 20.102 17.822 347 HA GLU 52 HA GLU 52 -13.064 21.741 17.592 348 HB2 GLU 52 2HB GLU 52 -14.284 23.891 16.967 349 HB3 GLU 52 3HB GLU 52 -13.934 22.769 15.660 350 HG2 GLU 52 2HG GLU 52 -16.226 21.944 15.744 351 HG3 GLU 52 3HG GLU 52 -16.580 23.055 17.066 352 H ARG 53 H ARG 53 -13.893 20.569 19.751 353 HA ARG 53 HA ARG 53 -14.408 20.872 21.945 354 HB2 ARG 53 2HB ARG 53 -14.616 23.819 21.333 355 HB3 ARG 53 3HB ARG 53 -14.258 23.066 22.881 356 HG2 ARG 53 2HG ARG 53 -12.120 22.282 22.023 357 HG3 ARG 53 3HG ARG 53 -12.481 22.999 20.451 358 HD2 ARG 53 2HD ARG 53 -12.769 24.883 22.651 359 HD3 ARG 53 3HD ARG 53 -11.140 24.218 22.528 360 HE ARG 53 HE ARG 53 -11.744 24.930 19.978 361 HH11 ARG 53 1HH1 ARG 53 -11.776 26.598 23.034 362 HH12 ARG 53 2HH1 ARG 53 -11.422 28.146 22.341 363 HH21 ARG 53 1HH2 ARG 53 -11.277 26.963 19.054 364 HH22 ARG 53 2HH2 ARG 53 -11.140 28.353 20.077 365 H GLY 54 H GLY 54 -16.502 20.597 19.841 366 HA2 GLY 54 2HA GLY 54 -18.761 21.246 21.569 367 HA3 GLY 54 3HA GLY 54 -18.772 21.964 19.966 368 H ALA 55 H ALA 55 -17.282 18.899 20.171 369 HA ALA 55 HA ALA 55 -19.620 17.694 18.859 370 HB1 ALA 55 1HB ALA 55 -17.268 17.828 17.768 371 HB2 ALA 55 2HB ALA 55 -16.896 16.464 18.823 372 HB3 ALA 55 3HB ALA 55 -18.200 16.336 17.643 373 H ASN 56 H ASN 56 -20.694 16.064 19.787 374 HA ASN 56 HA ASN 56 -19.728 15.072 22.361 375 HB2 ASN 56 2HB ASN 56 -22.358 15.501 21.136 376 HB3 ASN 56 3HB ASN 56 -22.223 13.969 21.994 377 HD21 ASN 56 1HD2 ASN 56 -20.879 17.197 22.584 378 HD22 ASN 56 2HD2 ASN 56 -21.513 17.355 24.184 379 H PHE 57 H PHE 57 -20.262 12.720 22.836 380 HA PHE 57 HA PHE 57 -18.862 11.089 20.979 381 HB2 PHE 57 2HB PHE 57 -19.892 10.846 23.675 382 HB3 PHE 57 3HB PHE 57 -20.200 9.382 22.748 383 HD1 PHE 57 HD2 PHE 57 -17.402 11.816 23.196 384 HD2 PHE 57 HD1 PHE 57 -18.617 7.745 22.932 385 HE1 PHE 57 HE2 PHE 57 -15.076 11.102 23.560 386 HE2 PHE 57 HE1 PHE 57 -16.293 7.025 23.296 387 HZ PHE 57 HZ PHE 57 -14.519 8.704 23.609 388 H ASP 58 H ASP 58 -22.242 11.669 21.647 389 HA ASP 58 HA ASP 58 -23.358 9.448 20.355 390 HB2 ASP 58 2HB ASP 58 -24.338 12.199 21.014 391 HB3 ASP 58 3HB ASP 58 -25.310 11.168 19.967 392 H GLN 59 H GLN 59 -22.558 12.675 19.105 393 HA GLN 59 HA GLN 59 -23.418 12.095 16.449 394 HB2 GLN 59 2HB GLN 59 -22.337 14.216 15.857 395 HB3 GLN 59 3HB GLN 59 -23.348 14.388 17.286 396 HG2 GLN 59 2HG GLN 59 -21.448 14.416 18.721 397 HG3 GLN 59 3HG GLN 59 -20.373 13.976 17.395 398 HE21 GLN 59 1HE2 GLN 59 -22.413 16.506 18.701 399 HE22 GLN 59 2HE2 GLN 59 -21.648 17.815 17.873 400 H PHE 60 H PHE 60 -20.410 11.782 18.193 401 HA PHE 60 HA PHE 60 -18.671 11.509 15.998 402 HB2 PHE 60 2HB PHE 60 -17.688 11.887 18.124 403 HB3 PHE 60 3HB PHE 60 -18.534 10.520 18.842 404 HD1 PHE 60 HD2 PHE 60 -16.280 11.064 15.912 405 HD2 PHE 60 HD1 PHE 60 -17.182 8.757 19.373 406 HE1 PHE 60 HE2 PHE 60 -14.335 9.629 15.458 407 HE2 PHE 60 HE1 PHE 60 -15.238 7.318 18.925 408 HZ PHE 60 HZ PHE 60 -13.812 7.752 16.964 409 H ILE 61 H ILE 61 -20.330 9.047 17.960 410 HA ILE 61 HA ILE 61 -19.417 6.871 16.353 411 HB ILE 61 HB ILE 61 -21.698 6.971 18.331 412 HG12 ILE 61 2HG1 ILE 61 -18.828 6.069 18.653 413 HG13 ILE 61 3HG1 ILE 61 -19.532 7.529 19.339 414 HG21 ILE 61 1HG2 ILE 61 -21.923 5.106 16.786 415 HG22 ILE 61 2HG2 ILE 61 -20.263 4.614 17.117 416 HG23 ILE 61 3HG2 ILE 61 -21.478 4.530 18.392 417 HD11 ILE 61 3HD1 ILE 61 -19.476 4.883 20.397 418 HD12 ILE 61 1HD1 ILE 61 -20.053 6.372 21.145 419 HD13 ILE 61 2HD1 ILE 61 -21.150 5.391 20.174 420 H GLU 62 H GLU 62 -22.376 8.789 16.499 421 HA GLU 62 HA GLU 62 -23.957 7.255 14.777 422 HB2 GLU 62 2HB GLU 62 -24.744 9.163 16.196 423 HB3 GLU 62 3HB GLU 62 -24.001 10.264 15.045 424 HG2 GLU 62 2HG GLU 62 -25.780 8.341 13.784 425 HG3 GLU 62 3HG GLU 62 -26.589 9.352 14.980 426 H ALA 63 H ALA 63 -21.612 9.809 14.103 427 HA ALA 63 HA ALA 63 -22.124 9.822 11.279 428 HB1 ALA 63 1HB ALA 63 -21.335 11.846 12.254 429 HB2 ALA 63 2HB ALA 63 -19.929 11.035 12.946 430 HB3 ALA 63 3HB ALA 63 -20.059 11.239 11.199 431 H ILE 64 H ILE 64 -19.398 8.703 13.289 432 HA ILE 64 HA ILE 64 -17.982 7.508 11.153 433 HB ILE 64 HB ILE 64 -17.831 6.906 14.109 434 HG12 ILE 64 2HG1 ILE 64 -17.347 9.262 13.504 435 HG13 ILE 64 3HG1 ILE 64 -15.930 8.423 14.128 436 HG21 ILE 64 1HG2 ILE 64 -16.810 5.079 13.100 437 HG22 ILE 64 2HG2 ILE 64 -16.163 6.048 11.776 438 HG23 ILE 64 3HG2 ILE 64 -15.462 6.179 13.389 439 HD11 ILE 64 3HD1 ILE 64 -16.111 8.213 11.253 440 HD12 ILE 64 1HD1 ILE 64 -16.098 9.892 11.794 441 HD13 ILE 64 2HD1 ILE 64 -14.793 8.803 12.266 442 H ASP 65 H ASP 65 -17.862 5.401 10.452 443 HA ASP 65 HA ASP 65 -19.788 3.491 11.583 444 HB2 ASP 65 2HB ASP 65 -19.672 4.555 8.827 445 HB3 ASP 65 3HB ASP 65 -19.872 2.810 8.960 446 H LYS 66 H LYS 66 -19.217 1.315 11.426 447 HA LYS 66 HA LYS 66 -16.364 0.857 11.128 448 HB2 LYS 66 2HB LYS 66 -17.446 -0.068 13.089 449 HB3 LYS 66 3HB LYS 66 -18.606 -0.929 12.086 450 HG2 LYS 66 2HG LYS 66 -15.902 -1.615 11.357 451 HG3 LYS 66 3HG LYS 66 -16.194 -1.893 13.076 452 HD2 LYS 66 2HD LYS 66 -18.394 -3.014 12.230 453 HD3 LYS 66 3HD LYS 66 -17.524 -3.126 10.699 454 HE2 LYS 66 2HE LYS 66 -15.997 -4.620 11.520 455 HE3 LYS 66 3HE LYS 66 -16.137 -4.020 13.172 456 HZ1 LYS 66 3HZ LYS 66 -18.371 -5.455 11.880 457 HZ2 LYS 66 1HZ LYS 66 -18.070 -5.229 13.529 458 HZ3 LYS 66 2HZ LYS 66 -17.114 -6.300 12.634 459 H ASN 67 H ASN 67 -16.014 0.927 8.912 460 HA ASN 67 HA ASN 67 -16.259 -1.473 7.502 461 HB2 ASN 67 2HB ASN 67 -18.570 0.280 7.307 462 HB3 ASN 67 3HB ASN 67 -17.841 -0.011 5.730 463 HD21 ASN 67 1HD2 ASN 67 -20.272 -0.988 7.455 464 HD22 ASN 67 2HD2 ASN 67 -20.310 -2.679 7.100 465 H VAL 68 H VAL 68 -16.764 1.829 6.284 466 HA VAL 68 HA VAL 68 -14.660 1.605 4.386 467 HB VAL 68 HB VAL 68 -15.016 4.073 4.068 468 HG11 VAL 68 1HG1 VAL 68 -17.167 3.821 3.008 469 HG12 VAL 68 2HG1 VAL 68 -16.240 2.335 2.798 470 HG13 VAL 68 3HG1 VAL 68 -17.530 2.409 3.998 471 HG21 VAL 68 3HG2 VAL 68 -17.342 3.762 5.944 472 HG22 VAL 68 1HG2 VAL 68 -15.778 4.371 6.485 473 HG23 VAL 68 2HG2 VAL 68 -16.681 5.240 5.244 474 HA PRO 69 HA PRO 69 -11.128 2.882 6.661 475 HB2 PRO 69 2HB PRO 69 -9.749 4.251 4.766 476 HB3 PRO 69 3HB PRO 69 -9.907 2.491 4.755 477 HG2 PRO 69 2HG PRO 69 -11.436 4.541 3.198 478 HG3 PRO 69 3HG PRO 69 -10.771 2.989 2.654 479 HD2 PRO 69 2HD PRO 69 -13.387 3.317 3.270 480 HD3 PRO 69 3HD PRO 69 -12.530 1.785 3.530 481 H CYS 70 H CYS 70 -11.045 4.402 8.181 482 HA CYS 70 HA CYS 70 -11.072 7.203 7.470 483 HB2 CYS 70 2HB CYS 70 -12.922 7.849 8.853 484 HB3 CYS 70 3HB CYS 70 -13.489 6.590 7.763 485 HG CYS 70 HG CYS 70 -13.765 4.640 9.591 486 H TYR 71 H TYR 71 -10.094 8.510 9.001 487 HA TYR 71 HA TYR 71 -9.093 7.165 11.420 488 HB2 TYR 71 2HB TYR 71 -6.965 8.495 11.093 489 HB3 TYR 71 3HB TYR 71 -7.227 7.190 9.941 490 HD1 TYR 71 HD2 TYR 71 -7.979 7.732 7.624 491 HD2 TYR 71 HD1 TYR 71 -6.815 10.757 10.380 492 HE1 TYR 71 HE2 TYR 71 -7.711 9.317 5.762 493 HE2 TYR 71 HE1 TYR 71 -6.544 12.350 8.526 494 HH TYR 71 HH TYR 71 -6.337 11.464 5.356 495 H ALA 72 H ALA 72 -9.081 8.354 13.268 496 HA ALA 72 HA ALA 72 -9.972 11.157 13.062 497 HB1 ALA 72 1HB ALA 72 -11.288 10.855 15.079 498 HB2 ALA 72 2HB ALA 72 -11.785 9.698 13.843 499 HB3 ALA 72 3HB ALA 72 -10.772 9.172 15.187 500 H ALA 73 H ALA 73 -8.532 12.537 13.842 501 HA ALA 73 HA ALA 73 -6.585 11.581 15.831 502 HB1 ALA 73 1HB ALA 73 -5.202 12.356 14.228 503 HB2 ALA 73 2HB ALA 73 -6.417 13.440 13.550 504 HB3 ALA 73 3HB ALA 73 -5.525 13.909 14.998 505 H PHE 74 H PHE 74 -7.072 12.130 17.847 506 HA PHE 74 HA PHE 74 -8.313 14.760 18.324 507 HB2 PHE 74 2HB PHE 74 -9.359 13.820 20.312 508 HB3 PHE 74 3HB PHE 74 -9.780 12.854 18.902 509 HD1 PHE 74 HD2 PHE 74 -8.547 10.690 18.512 510 HD2 PHE 74 HD1 PHE 74 -8.308 12.860 22.166 511 HE1 PHE 74 HE2 PHE 74 -7.737 8.668 19.656 512 HE2 PHE 74 HE1 PHE 74 -7.497 10.842 23.316 513 HZ PHE 74 HZ PHE 74 -7.211 8.742 22.061 514 H ASP 75 H ASP 75 -7.451 16.091 19.860 515 HA ASP 75 HA ASP 75 -4.762 15.431 20.752 516 HB2 ASP 75 2HB ASP 75 -5.104 17.614 19.734 517 HB3 ASP 75 3HB ASP 75 -6.349 18.001 20.918 518 H PHE 76 H PHE 76 -4.295 14.741 22.729 519 HA PHE 76 HA PHE 76 -6.239 15.237 24.886 520 HB2 PHE 76 2HB PHE 76 -5.864 12.794 23.858 521 HB3 PHE 76 3HB PHE 76 -4.536 12.803 25.014 522 HD1 PHE 76 HD1 PHE 76 -8.166 13.654 24.862 523 HD2 PHE 76 HD2 PHE 76 -4.956 12.016 27.126 524 HE1 PHE 76 HE1 PHE 76 -9.739 13.067 26.661 525 HE2 PHE 76 HE2 PHE 76 -6.523 11.426 28.928 526 HZ PHE 76 HZ PHE 76 -8.918 11.951 28.697 527 H GLU 77 H GLU 77 -5.128 14.723 27.099 528 HA GLU 77 HA GLU 77 -2.518 16.090 27.086 529 HB2 GLU 77 2HB GLU 77 -3.178 16.649 29.512 530 HB3 GLU 77 3HB GLU 77 -3.976 17.525 28.213 531 HG2 GLU 77 2HG GLU 77 -5.948 16.208 28.433 532 HG3 GLU 77 3HG GLU 77 -5.152 15.106 29.555 533 H TYR 78 H TYR 78 -0.880 15.353 28.447 534 HA TYR 78 HA TYR 78 -1.319 12.932 29.999 535 HB2 TYR 78 2HB TYR 78 -0.481 12.650 27.404 536 HB3 TYR 78 3HB TYR 78 1.048 12.700 28.274 537 HD1 TYR 78 HD2 TYR 78 -2.206 10.930 28.087 538 HD2 TYR 78 HD1 TYR 78 1.813 10.827 29.478 539 HE1 TYR 78 HE2 TYR 78 -2.485 8.564 28.699 540 HE2 TYR 78 HE1 TYR 78 1.546 8.460 30.092 541 HH TYR 78 HH TYR 78 -0.829 6.977 30.714 542 H THR 79 H THR 79 0.659 12.313 31.230 543 HA THR 79 HA THR 79 2.235 14.712 31.902 544 HB THR 79 HB THR 79 0.794 14.142 33.751 545 HG1 THR 79 HG1 THR 79 2.369 14.213 35.229 546 HG21 THR 79 3HG2 THR 79 0.130 11.973 33.719 547 HG22 THR 79 1HG2 THR 79 1.486 11.778 34.829 548 HG23 THR 79 2HG2 THR 79 1.684 11.393 33.119 549 H THR 80 H THR 80 3.348 13.446 29.916 550 HA THR 80 HA THR 80 5.031 11.257 30.703 551 HB THR 80 HB THR 80 5.144 13.002 28.234 552 HG1 THR 80 HG1 THR 80 4.249 10.336 28.263 553 HG21 THR 80 3HG2 THR 80 7.287 11.930 28.633 554 HG22 THR 80 1HG2 THR 80 6.474 11.154 27.275 555 HG23 THR 80 2HG2 THR 80 6.493 10.371 28.855 556 H ASN 81 H ASN 81 5.586 14.688 29.927 557 HA ASN 81 HA ASN 81 8.360 14.595 30.591 558 HB2 ASN 81 2HB ASN 81 7.343 16.250 29.016 559 HB3 ASN 81 3HB ASN 81 6.568 17.024 30.395 560 HD21 ASN 81 1HD2 ASN 81 7.729 18.921 29.717 561 HD22 ASN 81 2HD2 ASN 81 9.377 19.130 30.190 562 H ASP 82 H ASP 82 5.420 15.460 32.310 563 HA ASP 82 HA ASP 82 6.400 14.907 34.842 564 HB2 ASP 82 2HB ASP 82 7.323 17.436 33.861 565 HB3 ASP 82 3HB ASP 82 6.219 17.713 35.205 566 H GLY 83 H GLY 83 4.283 16.961 32.921 567 HA2 GLY 83 2HA GLY 83 1.940 15.985 34.162 568 HA3 GLY 83 3HA GLY 83 2.346 17.554 34.843 569 HA PRO 84 HA PRO 84 0.407 19.621 31.507 570 HB2 PRO 84 2HB PRO 84 2.072 21.710 31.027 571 HB3 PRO 84 3HB PRO 84 1.052 21.606 32.467 572 HG2 PRO 84 2HG PRO 84 3.959 20.963 32.155 573 HG3 PRO 84 3HG PRO 84 3.140 21.833 33.465 574 HD2 PRO 84 2HD PRO 84 3.864 19.232 33.673 575 HD3 PRO 84 3HD PRO 84 2.425 19.890 34.478 576 H ARG 85 H ARG 85 1.015 17.643 30.161 577 HA ARG 85 HA ARG 85 2.798 18.484 27.971 578 HB2 ARG 85 2HB ARG 85 3.068 16.228 29.612 579 HB3 ARG 85 3HB ARG 85 2.429 15.619 28.091 580 HG2 ARG 85 2HG ARG 85 4.572 17.522 27.678 581 HG3 ARG 85 3HG ARG 85 5.074 16.155 28.674 582 HD2 ARG 85 2HD ARG 85 4.144 14.630 26.948 583 HD3 ARG 85 3HD ARG 85 3.805 16.038 25.942 584 HE ARG 85 HE ARG 85 6.335 14.765 26.324 585 HH11 ARG 85 1HH1 ARG 85 4.783 17.806 25.645 586 HH12 ARG 85 2HH1 ARG 85 6.152 18.470 24.817 587 HH21 ARG 85 1HH2 ARG 85 8.145 15.627 25.236 588 HH22 ARG 85 2HH2 ARG 85 8.064 17.229 24.584 589 H ASP 86 H ASP 86 2.164 17.948 25.858 590 HA ASP 86 HA ASP 86 -0.689 17.259 25.595 591 HB2 ASP 86 2HB ASP 86 -0.774 18.630 23.614 592 HB3 ASP 86 3HB ASP 86 -0.067 19.582 24.917 593 H LYS 87 H LYS 87 -1.267 15.595 24.321 594 HA LYS 87 HA LYS 87 0.654 14.481 22.427 595 HB2 LYS 87 2HB LYS 87 0.381 13.378 24.956 596 HB3 LYS 87 3HB LYS 87 -0.661 12.374 23.956 597 HG2 LYS 87 2HG LYS 87 1.517 11.389 24.037 598 HG3 LYS 87 3HG LYS 87 1.244 12.020 22.411 599 HD2 LYS 87 2HD LYS 87 2.492 14.083 23.105 600 HD3 LYS 87 3HD LYS 87 2.907 13.249 24.605 601 HE2 LYS 87 2HE LYS 87 3.908 11.427 23.204 602 HE3 LYS 87 3HE LYS 87 3.656 12.457 21.795 603 HZ1 LYS 87 3HZ LYS 87 5.513 12.824 24.048 604 HZ2 LYS 87 1HZ LYS 87 4.968 14.173 23.183 605 HZ3 LYS 87 2HZ LYS 87 5.810 12.941 22.387 606 H LEU 88 H LEU 88 -0.353 14.142 20.567 607 HA LEU 88 HA LEU 88 -3.269 13.878 20.558 608 HB2 LEU 88 2HB LEU 88 -1.290 14.534 18.387 609 HB3 LEU 88 3HB LEU 88 -3.010 14.285 18.095 610 HG LEU 88 HG LEU 88 -3.068 16.202 20.026 611 HD11 LEU 88 1HD1 LEU 88 -0.880 17.149 18.231 612 HD12 LEU 88 2HD1 LEU 88 -0.486 16.229 19.683 613 HD13 LEU 88 3HD1 LEU 88 -1.375 17.747 19.816 614 HD21 LEU 88 3HD2 LEU 88 -3.577 17.751 18.205 615 HD22 LEU 88 1HD2 LEU 88 -4.346 16.184 17.950 616 HD23 LEU 88 2HD2 LEU 88 -2.895 16.613 17.042 617 H ILE 89 H ILE 89 -4.307 12.097 19.839 618 HA ILE 89 HA ILE 89 -2.633 9.855 18.912 619 HB ILE 89 HB ILE 89 -5.271 9.599 20.350 620 HG12 ILE 89 2HG1 ILE 89 -3.232 8.671 22.021 621 HG13 ILE 89 3HG1 ILE 89 -2.629 10.200 21.391 622 HG21 ILE 89 1HG2 ILE 89 -4.061 7.279 20.774 623 HG22 ILE 89 2HG2 ILE 89 -5.010 7.585 19.320 624 HG23 ILE 89 3HG2 ILE 89 -3.252 7.713 19.269 625 HD11 ILE 89 3HD1 ILE 89 -3.815 10.485 23.499 626 HD12 ILE 89 1HD1 ILE 89 -4.626 11.329 22.181 627 HD13 ILE 89 2HD1 ILE 89 -5.269 9.798 22.776 628 H LEU 90 H LEU 90 -3.438 8.510 17.278 629 HA LEU 90 HA LEU 90 -5.783 9.545 15.827 630 HB2 LEU 90 2HB LEU 90 -3.698 10.195 14.708 631 HB3 LEU 90 3HB LEU 90 -3.223 8.500 14.624 632 HG LEU 90 HG LEU 90 -5.796 8.870 13.393 633 HD11 LEU 90 1HD1 LEU 90 -5.439 11.006 12.694 634 HD12 LEU 90 2HD1 LEU 90 -4.601 10.142 11.406 635 HD13 LEU 90 3HD1 LEU 90 -3.683 10.848 12.736 636 HD21 LEU 90 3HD2 LEU 90 -4.723 7.756 11.551 637 HD22 LEU 90 1HD2 LEU 90 -4.202 7.000 13.057 638 HD23 LEU 90 2HD2 LEU 90 -3.126 8.114 12.211 639 H ILE 91 H ILE 91 -7.332 8.078 15.662 640 HA ILE 91 HA ILE 91 -6.604 5.231 15.820 641 HB ILE 91 HB ILE 91 -9.254 6.555 16.407 642 HG12 ILE 91 2HG1 ILE 91 -7.593 5.082 18.416 643 HG13 ILE 91 3HG1 ILE 91 -7.178 6.745 18.013 644 HG21 ILE 91 1HG2 ILE 91 -8.583 3.835 15.795 645 HG22 ILE 91 2HG2 ILE 91 -9.173 3.954 17.452 646 HG23 ILE 91 3HG2 ILE 91 -10.162 4.550 16.119 647 HD11 ILE 91 3HD1 ILE 91 -8.602 6.571 20.000 648 HD12 ILE 91 1HD1 ILE 91 -9.364 7.493 18.704 649 HD13 ILE 91 2HD1 ILE 91 -9.862 5.830 19.015 650 H SER 92 H SER 92 -6.680 4.131 13.987 651 HA SER 92 HA SER 92 -8.332 5.141 11.783 652 HB2 SER 92 2HB SER 92 -5.878 3.419 11.919 653 HB3 SER 92 3HB SER 92 -6.925 3.344 10.501 654 HG SER 92 HG SER 92 -5.057 4.996 10.732 655 H TRP 93 H TRP 93 -9.933 3.956 10.862 656 HA TRP 93 HA TRP 93 -10.725 1.523 12.290 657 HB2 TRP 93 2HB TRP 93 -12.175 3.748 11.487 658 HB3 TRP 93 3HB TRP 93 -12.612 2.520 10.301 659 HD1 TRP 93 HD1 TRP 93 -13.774 0.250 11.283 660 HE1 TRP 93 HE1 TRP 93 -15.216 -0.101 13.385 661 HE3 TRP 93 HE3 TRP 93 -12.533 4.500 13.837 662 HZ2 TRP 93 HZ2 TRP 93 -15.757 1.246 15.806 663 HZ3 TRP 93 HZ3 TRP 93 -13.557 4.894 16.040 664 HH2 TRP 93 HH2 TRP 93 -15.136 3.300 17.002 665 H ASN 94 H ASN 94 -10.168 -0.351 11.413 666 HA ASN 94 HA ASN 94 -10.654 -0.871 8.620 667 HB2 ASN 94 2HB ASN 94 -8.233 0.152 9.011 668 HB3 ASN 94 3HB ASN 94 -7.865 -1.508 9.469 669 HD21 ASN 94 1HD2 ASN 94 -9.940 -0.071 6.976 670 HD22 ASN 94 2HD2 ASN 94 -9.221 -0.915 5.651 671 HA PRO 95 HA PRO 95 -11.359 -4.454 11.442 672 HB2 PRO 95 2HB PRO 95 -13.709 -5.173 10.291 673 HB3 PRO 95 3HB PRO 95 -13.597 -3.951 11.563 674 HG2 PRO 95 2HG PRO 95 -13.809 -3.586 8.599 675 HG3 PRO 95 3HG PRO 95 -14.639 -2.707 9.897 676 HD2 PRO 95 2HD PRO 95 -12.475 -1.707 8.612 677 HD3 PRO 95 3HD PRO 95 -12.818 -1.359 10.319 678 H ASP 96 H ASP 96 -10.545 -6.404 10.996 679 HA ASP 96 HA ASP 96 -9.511 -7.100 8.499 680 HB2 ASP 96 2HB ASP 96 -8.735 -8.067 10.637 681 HB3 ASP 96 3HB ASP 96 -10.251 -8.954 10.774 682 H SER 97 H SER 97 -12.691 -7.435 9.778 683 HA SER 97 HA SER 97 -13.451 -9.275 7.619 684 HB2 SER 97 2HB SER 97 -14.519 -8.695 10.324 685 HB3 SER 97 3HB SER 97 -15.714 -9.047 9.075 686 HG SER 97 HG SER 97 -14.874 -11.038 8.810 687 H GLY 98 H GLY 98 -13.001 -6.186 7.701 688 HA2 GLY 98 2HA GLY 98 -15.523 -5.020 7.095 689 HA3 GLY 98 3HA GLY 98 -13.949 -4.318 6.752 690 H ALA 99 H ALA 99 -13.291 -4.217 4.695 691 HA ALA 99 HA ALA 99 -14.600 -5.949 2.715 692 HB1 ALA 99 1HB ALA 99 -15.762 -4.194 1.979 693 HB2 ALA 99 2HB ALA 99 -14.807 -3.057 2.931 694 HB3 ALA 99 3HB ALA 99 -14.231 -3.584 1.350 695 HA PRO 100 HA PRO 100 -10.612 -6.572 0.996 696 HB2 PRO 100 2HB PRO 100 -11.151 -6.718 -1.661 697 HB3 PRO 100 3HB PRO 100 -11.597 -7.991 -0.519 698 HG2 PRO 100 2HG PRO 100 -13.285 -5.803 -1.669 699 HG3 PRO 100 3HG PRO 100 -13.683 -7.514 -1.428 700 HD2 PRO 100 2HD PRO 100 -14.518 -5.571 0.263 701 HD3 PRO 100 3HD PRO 100 -14.150 -7.219 0.810 702 H ARG 101 H ARG 101 -12.469 -4.191 -0.907 703 HA ARG 101 HA ARG 101 -10.182 -2.872 -1.936 704 HB2 ARG 101 2HB ARG 101 -13.103 -2.221 -1.786 705 HB3 ARG 101 3HB ARG 101 -11.961 -0.987 -2.301 706 HG2 ARG 101 2HG ARG 101 -11.204 -3.077 -3.853 707 HG3 ARG 101 3HG ARG 101 -12.940 -3.361 -3.710 708 HD2 ARG 101 2HD ARG 101 -13.349 -1.040 -4.436 709 HD3 ARG 101 3HD ARG 101 -11.612 -0.817 -4.638 710 HE ARG 101 HE ARG 101 -12.242 -3.009 -6.163 711 HH11 ARG 101 1HH1 ARG 101 -13.251 0.320 -6.026 712 HH12 ARG 101 2HH1 ARG 101 -13.604 0.419 -7.719 713 HH21 ARG 101 1HH2 ARG 101 -12.703 -2.891 -8.394 714 HH22 ARG 101 2HH2 ARG 101 -13.292 -1.408 -9.065 715 H THR 102 H THR 102 -12.346 -2.183 0.785 716 HA THR 102 HA THR 102 -11.198 0.268 1.542 717 HB THR 102 HB THR 102 -12.215 -0.169 3.781 718 HG1 THR 102 HG1 THR 102 -12.562 -2.193 4.264 719 HG21 THR 102 3HG2 THR 102 -13.495 0.822 1.890 720 HG22 THR 102 1HG2 THR 102 -14.503 -0.068 3.030 721 HG23 THR 102 2HG2 THR 102 -14.070 -0.794 1.482 722 H LYS 103 H LYS 103 -10.510 -3.054 2.566 723 HA LYS 103 HA LYS 103 -8.650 -2.483 4.569 724 HB2 LYS 103 2HB LYS 103 -9.474 -4.704 4.410 725 HB3 LYS 103 3HB LYS 103 -8.973 -4.850 2.731 726 HG2 LYS 103 2HG LYS 103 -7.526 -6.130 4.210 727 HG3 LYS 103 3HG LYS 103 -6.637 -4.833 3.408 728 HD2 LYS 103 2HD LYS 103 -6.360 -3.642 5.344 729 HD3 LYS 103 3HD LYS 103 -7.836 -4.277 6.074 730 HE2 LYS 103 2HE LYS 103 -6.750 -5.978 7.037 731 HE3 LYS 103 3HE LYS 103 -5.835 -6.334 5.573 732 HZ1 LYS 103 3HZ LYS 103 -4.525 -4.226 6.235 733 HZ2 LYS 103 1HZ LYS 103 -4.204 -5.681 7.035 734 HZ3 LYS 103 2HZ LYS 103 -5.164 -4.503 7.776 735 H MET 104 H MET 104 -8.131 -3.115 1.107 736 HA MET 104 HA MET 104 -5.312 -2.715 1.238 737 HB2 MET 104 2HB MET 104 -6.650 -4.010 -0.531 738 HB3 MET 104 3HB MET 104 -6.986 -2.441 -1.250 739 HG2 MET 104 2HG MET 104 -5.028 -2.439 -2.270 740 HG3 MET 104 3HG MET 104 -4.188 -2.659 -0.737 741 HE1 MET 104 3HE MET 104 -2.577 -4.204 -0.580 742 HE2 MET 104 1HE MET 104 -3.630 -5.352 0.248 743 HE3 MET 104 2HE MET 104 -2.594 -5.898 -1.071 744 H LEU 105 H LEU 105 -8.067 -0.641 0.710 745 HA LEU 105 HA LEU 105 -6.861 1.550 -0.499 746 HB2 LEU 105 2HB LEU 105 -9.317 0.978 0.861 747 HB3 LEU 105 3HB LEU 105 -8.715 2.556 1.365 748 HG LEU 105 HG LEU 105 -8.633 3.244 -1.008 749 HD11 LEU 105 1HD1 LEU 105 -8.661 0.602 -1.593 750 HD12 LEU 105 2HD1 LEU 105 -9.069 1.880 -2.737 751 HD13 LEU 105 3HD1 LEU 105 -10.350 1.026 -1.877 752 HD21 LEU 105 3HD2 LEU 105 -10.682 4.048 -0.716 753 HD22 LEU 105 1HD2 LEU 105 -10.861 2.955 0.657 754 HD23 LEU 105 2HD2 LEU 105 -11.399 2.452 -0.946 755 H TYR 106 H TYR 106 -7.234 0.846 2.967 756 HA TYR 106 HA TYR 106 -5.996 3.152 3.944 757 HB2 TYR 106 2HB TYR 106 -7.049 0.766 5.024 758 HB3 TYR 106 3HB TYR 106 -5.403 0.900 5.634 759 HD1 TYR 106 HD2 TYR 106 -4.822 3.449 6.385 760 HD2 TYR 106 HD1 TYR 106 -8.688 1.674 6.356 761 HE1 TYR 106 HE2 TYR 106 -5.575 5.075 8.070 762 HE2 TYR 106 HE1 TYR 106 -9.452 3.295 8.040 763 HH TYR 106 HH TYR 106 -8.571 4.756 9.722 764 H SER 107 H SER 107 -4.654 0.135 2.772 765 HA SER 107 HA SER 107 -1.982 0.717 3.667 766 HB2 SER 107 2HB SER 107 -1.376 -1.358 2.765 767 HB3 SER 107 3HB SER 107 -3.058 -1.608 3.234 768 HG SER 107 HG SER 107 -3.260 -2.211 1.227 769 H SER 108 H SER 108 -3.876 1.266 0.805 770 HA SER 108 HA SER 108 -1.740 1.751 -0.994 771 HB2 SER 108 2HB SER 108 -4.569 1.718 -1.110 772 HB3 SER 108 3HB SER 108 -4.056 3.303 -1.686 773 HG SER 108 HG SER 108 -3.991 1.008 -2.990 774 H SER 109 H SER 109 -3.261 3.648 1.467 775 HA SER 109 HA SER 109 -1.779 6.030 0.568 776 HB2 SER 109 2HB SER 109 -3.465 7.376 1.335 777 HB3 SER 109 3HB SER 109 -4.422 5.930 1.012 778 HG SER 109 HG SER 109 -4.836 5.827 3.059 779 H ARG 110 H ARG 110 -1.017 3.610 2.305 780 HA ARG 110 HA ARG 110 -0.613 4.546 4.942 781 HB2 ARG 110 2HB ARG 110 0.746 2.621 5.264 782 HB3 ARG 110 3HB ARG 110 -0.546 2.143 4.171 783 HG2 ARG 110 2HG ARG 110 1.035 2.501 2.272 784 HG3 ARG 110 3HG ARG 110 2.312 2.753 3.463 785 HD2 ARG 110 2HD ARG 110 2.557 0.562 3.767 786 HD3 ARG 110 3HD ARG 110 0.827 0.350 4.036 787 HE ARG 110 HE ARG 110 1.480 0.667 1.270 788 HH11 ARG 110 1HH1 ARG 110 1.339 -1.614 3.897 789 HH12 ARG 110 2HH1 ARG 110 1.151 -2.991 2.863 790 HH21 ARG 110 1HH2 ARG 110 1.233 -1.139 -0.102 791 HH22 ARG 110 2HH2 ARG 110 1.092 -2.720 0.589 792 H ASP 111 H ASP 111 1.468 4.503 2.073 793 HA ASP 111 HA ASP 111 3.750 5.591 3.340 794 HB2 ASP 111 2HB ASP 111 3.570 4.387 1.062 795 HB3 ASP 111 3HB ASP 111 3.120 5.965 0.422 796 H ALA 112 H ALA 112 0.928 7.018 1.839 797 HA ALA 112 HA ALA 112 1.999 9.691 1.842 798 HB1 ALA 112 1HB ALA 112 0.295 10.134 0.484 799 HB2 ALA 112 2HB ALA 112 -0.107 8.419 0.558 800 HB3 ALA 112 3HB ALA 112 -0.883 9.555 1.661 801 H LEU 113 H LEU 113 0.038 7.719 3.960 802 HA LEU 113 HA LEU 113 -0.699 9.948 5.651 803 HB2 LEU 113 2HB LEU 113 -1.278 7.038 5.565 804 HB3 LEU 113 3HB LEU 113 -1.416 7.854 7.121 805 HG LEU 113 HG LEU 113 -2.910 8.661 4.628 806 HD11 LEU 113 1HD1 LEU 113 -4.184 7.383 7.002 807 HD12 LEU 113 2HD1 LEU 113 -3.418 6.373 5.776 808 HD13 LEU 113 3HD1 LEU 113 -4.737 7.455 5.328 809 HD21 LEU 113 3HD2 LEU 113 -2.711 10.545 6.023 810 HD22 LEU 113 1HD2 LEU 113 -2.964 9.591 7.485 811 HD23 LEU 113 2HD2 LEU 113 -4.304 9.871 6.373 812 H VAL 114 H VAL 114 1.839 7.637 5.429 813 HA VAL 114 HA VAL 114 2.695 7.327 8.028 814 HB VAL 114 HB VAL 114 4.096 7.382 5.404 815 HG11 VAL 114 1HG1 VAL 114 5.445 7.679 8.063 816 HG12 VAL 114 2HG1 VAL 114 6.238 6.837 6.730 817 HG13 VAL 114 3HG1 VAL 114 5.766 8.528 6.551 818 HG21 VAL 114 3HG2 VAL 114 4.734 5.245 7.242 819 HG22 VAL 114 1HG2 VAL 114 2.991 5.447 7.071 820 HG23 VAL 114 2HG2 VAL 114 3.990 5.170 5.645 821 HA PRO 115 HA PRO 115 5.251 11.421 7.650 822 HB2 PRO 115 2HB PRO 115 4.629 13.072 5.587 823 HB3 PRO 115 3HB PRO 115 5.857 11.806 5.467 824 HG2 PRO 115 2HG PRO 115 3.012 11.779 4.536 825 HG3 PRO 115 3HG PRO 115 4.465 11.188 3.710 826 HD2 PRO 115 2HD PRO 115 2.751 9.538 5.003 827 HD3 PRO 115 3HD PRO 115 4.494 9.217 4.904 828 H LEU 116 H LEU 116 1.904 11.545 6.512 829 HA LEU 116 HA LEU 116 1.271 14.066 7.625 830 HB2 LEU 116 2HB LEU 116 -0.193 11.806 6.442 831 HB3 LEU 116 3HB LEU 116 -1.116 12.781 7.585 832 HG LEU 116 HG LEU 116 -1.428 13.454 5.223 833 HD11 LEU 116 1HD1 LEU 116 -0.662 15.156 7.439 834 HD12 LEU 116 2HD1 LEU 116 -1.978 15.333 6.278 835 HD13 LEU 116 3HD1 LEU 116 -0.363 15.919 5.878 836 HD21 LEU 116 3HD2 LEU 116 1.505 14.120 5.415 837 HD22 LEU 116 1HD2 LEU 116 0.432 14.712 4.146 838 HD23 LEU 116 2HD2 LEU 116 0.734 12.982 4.309 839 H THR 117 H THR 117 1.288 10.814 8.909 840 HA THR 117 HA THR 117 0.210 11.809 11.459 841 HB THR 117 HB THR 117 -0.147 9.436 12.051 842 HG1 THR 117 HG1 THR 117 0.808 7.960 10.889 843 HG21 THR 117 3HG2 THR 117 -1.411 9.799 9.366 844 HG22 THR 117 1HG2 THR 117 -1.787 10.931 10.665 845 HG23 THR 117 2HG2 THR 117 -2.122 9.212 10.870 846 H GLN 118 H GLN 118 2.784 12.564 10.954 847 HA GLN 118 HA GLN 118 4.604 10.665 12.167 848 HB2 GLN 118 2HB GLN 118 4.840 12.982 10.506 849 HB3 GLN 118 3HB GLN 118 5.803 13.228 11.957 850 HG2 GLN 118 2HG GLN 118 6.618 10.781 11.403 851 HG3 GLN 118 3HG GLN 118 6.124 11.244 9.776 852 HE21 GLN 118 1HE2 GLN 118 7.188 12.954 8.743 853 HE22 GLN 118 2HE2 GLN 118 8.745 13.497 9.260 854 H GLY 119 H GLY 119 4.945 10.499 14.279 855 HA2 GLY 119 2HA GLY 119 5.518 11.404 16.401 856 HA3 GLY 119 3HA GLY 119 4.689 12.889 15.960 857 H PHE 120 H PHE 120 2.236 11.970 15.155 858 HA PHE 120 HA PHE 120 0.975 11.485 17.661 859 HB2 PHE 120 2HB PHE 120 -0.333 11.242 14.954 860 HB3 PHE 120 3HB PHE 120 -1.088 11.663 16.488 861 HD1 PHE 120 HD1 PHE 120 0.731 13.701 17.531 862 HD2 PHE 120 HD2 PHE 120 -0.687 13.059 13.570 863 HE1 PHE 120 HE1 PHE 120 1.051 16.089 17.033 864 HE2 PHE 120 HE2 PHE 120 -0.368 15.446 13.065 865 HZ PHE 120 HZ PHE 120 0.503 16.964 14.797 866 H GLN 121 H GLN 121 0.265 9.640 18.558 867 HA GLN 121 HA GLN 121 1.199 7.149 17.617 868 HB2 GLN 121 2HB GLN 121 -0.656 8.006 19.807 869 HB3 GLN 121 3HB GLN 121 -0.514 6.300 19.405 870 HG2 GLN 121 2HG GLN 121 0.944 7.078 21.275 871 HG3 GLN 121 3HG GLN 121 1.787 6.269 19.955 872 HE21 GLN 121 1HE2 GLN 121 1.195 9.300 21.552 873 HE22 GLN 121 2HE2 GLN 121 2.500 10.169 20.826 874 H GLY 122 H GLY 122 0.440 6.766 15.540 875 HA2 GLY 122 2HA GLY 122 -2.454 6.659 15.125 876 HA3 GLY 122 3HA GLY 122 -1.223 6.538 13.877 877 H ILE 123 H ILE 123 -3.484 4.841 15.603 878 HA ILE 123 HA ILE 123 -2.215 2.291 14.868 879 HB ILE 123 HB ILE 123 -3.883 2.668 17.353 880 HG12 ILE 123 2HG1 ILE 123 -1.462 2.083 18.335 881 HG13 ILE 123 3HG1 ILE 123 -0.958 2.929 16.876 882 HG21 ILE 123 1HG2 ILE 123 -2.606 0.417 17.818 883 HG22 ILE 123 2HG2 ILE 123 -4.082 0.443 16.854 884 HG23 ILE 123 3HG2 ILE 123 -2.511 0.367 16.058 885 HD11 ILE 123 3HD1 ILE 123 -2.714 4.703 17.748 886 HD12 ILE 123 1HD1 ILE 123 -2.319 3.955 19.295 887 HD13 ILE 123 2HD1 ILE 123 -1.044 4.677 18.314 888 H GLN 124 H GLN 124 -3.519 0.810 13.905 889 HA GLN 124 HA GLN 124 -6.247 1.688 13.291 890 HB2 GLN 124 2HB GLN 124 -4.958 1.251 11.328 891 HB3 GLN 124 3HB GLN 124 -4.401 -0.292 11.960 892 HG2 GLN 124 2HG GLN 124 -7.321 0.099 11.609 893 HG3 GLN 124 3HG GLN 124 -6.328 -0.126 10.170 894 HE21 GLN 124 1HE2 GLN 124 -4.762 -2.007 10.350 895 HE22 GLN 124 2HE2 GLN 124 -5.393 -3.466 11.025 896 H ALA 125 H ALA 125 -7.841 0.841 14.441 897 HA ALA 125 HA ALA 125 -7.845 -2.010 15.031 898 HB1 ALA 125 1HB ALA 125 -6.926 -1.463 17.060 899 HB2 ALA 125 2HB ALA 125 -7.693 0.125 17.104 900 HB3 ALA 125 3HB ALA 125 -8.645 -1.323 17.432 901 H ASN 126 H ASN 126 -9.812 -2.851 14.740 902 HA ASN 126 HA ASN 126 -12.052 -1.009 14.345 903 HB2 ASN 126 2HB ASN 126 -13.038 -2.628 12.980 904 HB3 ASN 126 3HB ASN 126 -11.321 -2.831 12.646 905 HD21 ASN 126 1HD2 ASN 126 -14.170 -4.282 13.806 906 HD22 ASN 126 2HD2 ASN 126 -13.499 -5.820 14.216 907 H ASP 127 H ASP 127 -14.194 -1.653 15.138 908 HA ASP 127 HA ASP 127 -15.640 -2.212 16.803 909 HB2 ASP 127 2HB ASP 127 -14.268 -4.519 16.273 910 HB3 ASP 127 3HB ASP 127 -13.977 -4.324 17.999 911 H ALA 128 H ALA 128 -15.208 -3.158 19.398 912 HA ALA 128 HA ALA 128 -14.637 -0.850 20.807 913 HB1 ALA 128 1HB ALA 128 -14.294 -3.655 21.855 914 HB2 ALA 128 2HB ALA 128 -14.621 -2.198 22.794 915 HB3 ALA 128 3HB ALA 128 -15.845 -2.831 21.694 916 H SER 129 H SER 129 -12.465 -3.237 19.540 917 HA SER 129 HA SER 129 -10.228 -2.807 21.163 918 HB2 SER 129 2HB SER 129 -10.820 -4.284 18.834 919 HB3 SER 129 3HB SER 129 -9.427 -3.278 18.435 920 HG SER 129 HG SER 129 -9.578 -5.459 20.042 921 H GLY 130 H GLY 130 -11.653 -0.846 18.710 922 HA2 GLY 130 2HA GLY 130 -9.275 0.737 18.242 923 HA3 GLY 130 3HA GLY 130 -10.878 1.039 17.587 924 H LEU 131 H LEU 131 -11.816 0.720 20.527 925 HA LEU 131 HA LEU 131 -11.257 3.516 21.256 926 HB2 LEU 131 2HB LEU 131 -13.532 1.923 22.366 927 HB3 LEU 131 3HB LEU 131 -13.372 3.670 22.204 928 HG LEU 131 HG LEU 131 -13.852 1.729 19.944 929 HD11 LEU 131 1HD1 LEU 131 -16.067 2.776 19.838 930 HD12 LEU 131 2HD1 LEU 131 -15.687 3.710 21.284 931 HD13 LEU 131 3HD1 LEU 131 -15.800 1.953 21.374 932 HD21 LEU 131 3HD2 LEU 131 -14.419 4.058 18.856 933 HD22 LEU 131 1HD2 LEU 131 -12.768 3.439 18.879 934 HD23 LEU 131 2HD2 LEU 131 -13.273 4.646 20.062 935 H ASP 132 H ASP 132 -9.636 1.108 21.904 936 HA ASP 132 HA ASP 132 -10.006 0.507 24.664 937 HB2 ASP 132 2HB ASP 132 -7.597 0.143 22.870 938 HB3 ASP 132 3HB ASP 132 -7.748 -0.521 24.495 939 H PHE 133 H PHE 133 -9.956 2.198 26.039 940 HA PHE 133 HA PHE 133 -8.427 4.509 25.812 941 HB2 PHE 133 2HB PHE 133 -9.446 3.161 28.322 942 HB3 PHE 133 3HB PHE 133 -8.859 4.819 28.234 943 HD1 PHE 133 HD2 PHE 133 -10.040 6.077 26.065 944 HD2 PHE 133 HD1 PHE 133 -11.716 3.012 28.496 945 HE1 PHE 133 HE2 PHE 133 -12.300 6.845 25.468 946 HE2 PHE 133 HE1 PHE 133 -13.979 3.774 27.902 947 HZ PHE 133 HZ PHE 133 -14.273 5.693 26.387 948 H GLU 134 H GLU 134 -7.731 1.534 27.628 949 HA GLU 134 HA GLU 134 -5.307 2.323 28.755 950 HB2 GLU 134 2HB GLU 134 -6.835 -0.001 28.697 951 HB3 GLU 134 3HB GLU 134 -5.308 -0.476 27.966 952 HG2 GLU 134 2HG GLU 134 -4.202 0.623 29.986 953 HG3 GLU 134 3HG GLU 134 -5.807 0.607 30.713 954 H GLU 135 H GLU 135 -6.038 1.042 25.565 955 HA GLU 135 HA GLU 135 -3.363 0.572 24.764 956 HB2 GLU 135 2HB GLU 135 -5.446 -0.351 23.672 957 HB3 GLU 135 3HB GLU 135 -5.686 1.236 22.955 958 HG2 GLU 135 2HG GLU 135 -3.653 1.063 21.717 959 HG3 GLU 135 3HG GLU 135 -3.207 -0.418 22.562 960 H ILE 136 H ILE 136 -5.545 3.334 24.375 961 HA ILE 136 HA ILE 136 -3.842 4.904 22.779 962 HB ILE 136 HB ILE 136 -5.964 5.818 24.725 963 HG12 ILE 136 2HG1 ILE 136 -6.794 4.272 22.985 964 HG13 ILE 136 3HG1 ILE 136 -7.435 5.898 22.779 965 HG21 ILE 136 1HG2 ILE 136 -5.662 7.570 22.517 966 HG22 ILE 136 2HG2 ILE 136 -5.384 7.899 24.226 967 HG23 ILE 136 3HG2 ILE 136 -4.067 7.299 23.219 968 HD11 ILE 136 3HD1 ILE 136 -5.002 5.583 21.289 969 HD12 ILE 136 1HD1 ILE 136 -6.158 4.318 20.873 970 HD13 ILE 136 2HD1 ILE 136 -6.617 6.016 20.729 971 H SER 137 H SER 137 -4.331 4.829 26.298 972 HA SER 137 HA SER 137 -2.509 6.884 26.917 973 HB2 SER 137 2HB SER 137 -2.451 5.401 29.169 974 HB3 SER 137 3HB SER 137 -3.791 6.471 28.757 975 HG SER 137 HG SER 137 -4.306 4.210 29.349 976 H ARG 138 H ARG 138 -2.116 3.391 26.589 977 HA ARG 138 HA ARG 138 0.553 3.270 27.512 978 HB2 ARG 138 2HB ARG 138 -0.965 1.308 27.318 979 HB3 ARG 138 3HB ARG 138 -0.833 1.416 25.568 980 HG2 ARG 138 2HG ARG 138 1.705 1.251 27.065 981 HG3 ARG 138 3HG ARG 138 0.689 -0.192 27.064 982 HD2 ARG 138 2HD ARG 138 0.561 0.364 24.474 983 HD3 ARG 138 3HD ARG 138 2.102 1.147 24.821 984 HE ARG 138 HE ARG 138 2.353 -1.314 25.946 985 HH11 ARG 138 1HH1 ARG 138 1.506 -0.170 22.769 986 HH12 ARG 138 2HH1 ARG 138 2.157 -1.553 21.954 987 HH21 ARG 138 1HH2 ARG 138 3.214 -3.141 24.885 988 HH22 ARG 138 2HH2 ARG 138 3.128 -3.243 23.159 989 H LYS 139 H LYS 139 -0.875 3.866 24.359 990 HA LYS 139 HA LYS 139 1.534 3.656 22.868 991 HB2 LYS 139 2HB LYS 139 -1.094 5.023 22.281 992 HB3 LYS 139 3HB LYS 139 0.228 4.933 21.125 993 HG2 LYS 139 2HG LYS 139 -0.785 2.418 22.355 994 HG3 LYS 139 3HG LYS 139 -1.722 3.193 21.075 995 HD2 LYS 139 2HD LYS 139 -0.005 2.939 19.506 996 HD3 LYS 139 3HD LYS 139 1.214 2.658 20.752 997 HE2 LYS 139 2HE LYS 139 -0.095 0.546 21.319 998 HE3 LYS 139 3HE LYS 139 -0.951 0.802 19.799 999 HZ1 LYS 139 3HZ LYS 139 1.489 -0.454 20.166 1000 HZ2 LYS 139 1HZ LYS 139 1.837 1.007 19.388 1001 HZ3 LYS 139 2HZ LYS 139 0.739 -0.077 18.697 1002 H VAL 140 H VAL 140 -0.271 6.433 24.161 1003 HA VAL 140 HA VAL 140 1.565 8.391 23.248 1004 HB VAL 140 HB VAL 140 0.440 9.912 24.842 1005 HG11 VAL 140 1HG1 VAL 140 -1.571 8.229 23.361 1006 HG12 VAL 140 2HG1 VAL 140 -1.663 9.952 23.731 1007 HG13 VAL 140 3HG1 VAL 140 -0.476 9.360 22.568 1008 HG21 VAL 140 3HG2 VAL 140 0.021 8.458 26.692 1009 HG22 VAL 140 1HG2 VAL 140 -1.539 9.012 26.083 1010 HG23 VAL 140 2HG2 VAL 140 -0.969 7.388 25.698 1011 H LYS 141 H LYS 141 1.237 6.589 26.262 1012 HA LYS 141 HA LYS 141 3.311 8.035 27.615 1013 HB2 LYS 141 2HB LYS 141 2.883 6.669 29.443 1014 HB3 LYS 141 3HB LYS 141 1.327 6.692 28.623 1015 HG2 LYS 141 2HG LYS 141 1.438 4.470 28.886 1016 HG3 LYS 141 3HG LYS 141 2.463 4.543 27.451 1017 HD2 LYS 141 2HD LYS 141 4.100 3.616 28.637 1018 HD3 LYS 141 3HD LYS 141 4.145 5.070 29.638 1019 HE2 LYS 141 2HE LYS 141 2.796 4.133 31.278 1020 HE3 LYS 141 3HE LYS 141 2.130 2.925 30.180 1021 HZ1 LYS 141 3HZ LYS 141 3.790 1.516 30.610 1022 HZ2 LYS 141 1HZ LYS 141 4.090 2.472 31.974 1023 HZ3 LYS 141 2HZ LYS 141 4.978 2.719 30.556 1024 H SER 142 H SER 142 3.190 5.386 25.429 1025 HA SER 142 HA SER 142 5.566 4.051 26.166 1026 HB2 SER 142 2HB SER 142 4.402 2.720 24.724 1027 HB3 SER 142 3HB SER 142 3.774 4.086 23.803 1028 HG SER 142 HG SER 142 5.735 2.502 23.123 1029 H ASN 143 H ASN 143 4.918 6.802 24.074 1030 HA ASN 143 HA ASN 143 6.278 8.348 23.109 1031 HB2 ASN 143 2HB ASN 143 7.248 8.107 25.572 1032 HB3 ASN 143 3HB ASN 143 8.637 7.459 24.705 1033 HD21 ASN 143 1HD2 ASN 143 8.281 9.942 26.252 1034 HD22 ASN 143 2HD2 ASN 143 8.734 11.220 25.181 1035 H ARG 144 H ARG 144 6.121 5.631 22.038 1036 HA ARG 144 HA ARG 144 8.420 5.797 20.266 1037 HB2 ARG 144 2HB ARG 144 9.052 4.261 22.158 1038 HB3 ARG 144 3HB ARG 144 7.750 3.196 21.646 1039 HG2 ARG 144 2HG ARG 144 9.058 3.474 19.316 1040 HG3 ARG 144 3HG ARG 144 10.398 3.667 20.449 1041 HD2 ARG 144 2HD ARG 144 10.333 1.510 21.085 1042 HD3 ARG 144 3HD ARG 144 8.571 1.456 21.068 1043 HE ARG 144 HE ARG 144 9.673 1.556 18.437 1044 HH11 ARG 144 1HH1 ARG 144 8.976 -0.558 21.114 1045 HH12 ARG 144 2HH1 ARG 144 8.854 -1.979 20.130 1046 HH21 ARG 144 1HH2 ARG 144 9.516 -0.307 17.131 1047 HH22 ARG 144 2HH2 ARG 144 9.163 -1.835 17.864 Start of MODEL 11 1 H MET 9 H MET 9 -13.835 -0.077 -10.639 2 HA MET 9 HA MET 9 -12.088 2.262 -10.258 3 HB2 MET 9 2HB MET 9 -14.371 1.450 -8.451 4 HB3 MET 9 3HB MET 9 -13.302 2.828 -8.221 5 HG2 MET 9 2HG MET 9 -14.179 3.913 -10.163 6 HG3 MET 9 3HG MET 9 -15.120 2.486 -10.591 7 HE1 MET 9 3HE MET 9 -17.605 5.030 -10.085 8 HE2 MET 9 1HE MET 9 -16.910 3.721 -11.040 9 HE3 MET 9 2HE MET 9 -18.205 3.382 -9.892 10 H ALA 10 H ALA 10 -10.221 1.686 -9.383 11 HA ALA 10 HA ALA 10 -10.037 0.067 -7.057 12 HB1 ALA 10 1HB ALA 10 -10.428 -1.696 -8.751 13 HB2 ALA 10 2HB ALA 10 -8.952 -1.188 -9.574 14 HB3 ALA 10 3HB ALA 10 -8.869 -1.843 -7.939 15 H MET 11 H MET 11 -9.154 2.647 -8.025 16 HA MET 11 HA MET 11 -6.494 2.787 -8.776 17 HB2 MET 11 2HB MET 11 -8.417 4.575 -7.461 18 HB3 MET 11 3HB MET 11 -6.736 4.927 -7.082 19 HG2 MET 11 2HG MET 11 -7.058 4.464 -9.900 20 HG3 MET 11 3HG MET 11 -8.175 5.707 -9.339 21 HE1 MET 11 3HE MET 11 -5.443 5.031 -11.009 22 HE2 MET 11 1HE MET 11 -5.229 6.745 -11.366 23 HE3 MET 11 2HE MET 11 -4.002 5.877 -10.443 24 H SER 12 H SER 12 -4.577 3.273 -7.525 25 HA SER 12 HA SER 12 -4.631 2.270 -4.765 26 HB2 SER 12 2HB SER 12 -2.726 1.387 -6.944 27 HB3 SER 12 3HB SER 12 -2.488 1.047 -5.230 28 HG SER 12 HG SER 12 -3.975 -0.288 -6.985 29 H GLY 13 H GLY 13 -4.579 4.659 -4.465 30 HA2 GLY 13 2HA GLY 13 -1.826 5.497 -4.087 31 HA3 GLY 13 3HA GLY 13 -2.755 6.483 -5.206 32 H VAL 14 H VAL 14 -4.910 7.255 -4.318 33 HA VAL 14 HA VAL 14 -6.041 8.542 -2.819 34 HB VAL 14 HB VAL 14 -4.796 6.560 -0.923 35 HG11 VAL 14 1HG1 VAL 14 -6.277 9.040 -0.349 36 HG12 VAL 14 2HG1 VAL 14 -6.830 7.601 0.509 37 HG13 VAL 14 3HG1 VAL 14 -5.153 8.128 0.658 38 HG21 VAL 14 3HG2 VAL 14 -7.708 6.859 -1.537 39 HG22 VAL 14 1HG2 VAL 14 -6.648 5.997 -2.652 40 HG23 VAL 14 2HG2 VAL 14 -6.821 5.437 -0.989 41 H SER 15 H SER 15 -5.183 10.544 -2.962 42 HA SER 15 HA SER 15 -2.717 11.136 -1.491 43 HB2 SER 15 2HB SER 15 -3.887 12.101 -3.951 44 HB3 SER 15 3HB SER 15 -3.558 13.445 -2.858 45 HG SER 15 HG SER 15 -1.470 13.092 -3.029 46 H VAL 16 H VAL 16 -2.648 12.500 0.218 47 HA VAL 16 HA VAL 16 -5.095 13.078 1.582 48 HB VAL 16 HB VAL 16 -3.133 12.499 2.875 49 HG11 VAL 16 1HG1 VAL 16 -1.805 14.219 1.082 50 HG12 VAL 16 2HG1 VAL 16 -1.609 14.911 2.694 51 HG13 VAL 16 3HG1 VAL 16 -1.104 13.250 2.378 52 HG21 VAL 16 3HG2 VAL 16 -3.287 14.149 4.564 53 HG22 VAL 16 1HG2 VAL 16 -3.701 15.406 3.399 54 HG23 VAL 16 2HG2 VAL 16 -4.857 14.124 3.761 55 H ALA 17 H ALA 17 -6.326 14.821 1.383 56 HA ALA 17 HA ALA 17 -5.672 16.954 -0.364 57 HB1 ALA 17 1HB ALA 17 -7.967 16.302 -0.065 58 HB2 ALA 17 2HB ALA 17 -7.892 16.678 1.656 59 HB3 ALA 17 3HB ALA 17 -7.774 17.973 0.465 60 H ASP 18 H ASP 18 -5.284 19.142 0.095 61 HA ASP 18 HA ASP 18 -3.431 19.705 2.073 62 HB2 ASP 18 2HB ASP 18 -5.245 21.467 0.445 63 HB3 ASP 18 3HB ASP 18 -4.145 22.153 1.637 64 H GLU 19 H GLU 19 -6.930 19.912 2.166 65 HA GLU 19 HA GLU 19 -7.246 21.440 4.482 66 HB2 GLU 19 2HB GLU 19 -9.463 20.391 4.666 67 HB3 GLU 19 3HB GLU 19 -9.117 20.903 3.021 68 HG2 GLU 19 2HG GLU 19 -8.244 18.366 2.905 69 HG3 GLU 19 3HG GLU 19 -9.506 18.202 4.124 70 H CYS 20 H CYS 20 -6.712 17.975 4.067 71 HA CYS 20 HA CYS 20 -7.075 17.266 6.782 72 HB2 CYS 20 2HB CYS 20 -5.703 15.939 4.455 73 HB3 CYS 20 3HB CYS 20 -5.657 15.230 6.064 74 HG CYS 20 HG CYS 20 -8.756 16.023 5.216 75 H VAL 21 H VAL 21 -4.190 18.044 4.872 76 HA VAL 21 HA VAL 21 -2.266 17.549 6.836 77 HB VAL 21 HB VAL 21 -2.122 19.694 4.715 78 HG11 VAL 21 1HG1 VAL 21 0.374 18.704 4.948 79 HG12 VAL 21 2HG1 VAL 21 -0.214 20.103 5.849 80 HG13 VAL 21 3HG1 VAL 21 -0.197 18.510 6.606 81 HG21 VAL 21 3HG2 VAL 21 -2.278 18.041 3.228 82 HG22 VAL 21 1HG2 VAL 21 -0.728 17.459 3.834 83 HG23 VAL 21 2HG2 VAL 21 -2.231 16.810 4.489 84 H THR 22 H THR 22 -3.929 20.586 6.015 85 HA THR 22 HA THR 22 -2.682 22.169 7.979 86 HB THR 22 HB THR 22 -5.463 22.601 6.881 87 HG1 THR 22 HG1 THR 22 -4.551 23.012 5.024 88 HG21 THR 22 3HG2 THR 22 -4.005 24.996 7.143 89 HG22 THR 22 1HG2 THR 22 -3.750 24.091 8.635 90 HG23 THR 22 2HG2 THR 22 -5.388 24.465 8.099 91 H ALA 23 H ALA 23 -5.704 20.319 8.015 92 HA ALA 23 HA ALA 23 -6.671 21.142 10.498 93 HB1 ALA 23 1HB ALA 23 -7.215 19.001 8.619 94 HB2 ALA 23 2HB ALA 23 -7.446 18.496 10.293 95 HB3 ALA 23 3HB ALA 23 -8.318 19.895 9.666 96 H LEU 24 H LEU 24 -4.462 18.494 9.674 97 HA LEU 24 HA LEU 24 -4.224 17.500 12.321 98 HB2 LEU 24 2HB LEU 24 -2.329 17.234 9.990 99 HB3 LEU 24 3HB LEU 24 -2.284 16.272 11.467 100 HG LEU 24 HG LEU 24 -4.746 16.248 9.775 101 HD11 LEU 24 1HD1 LEU 24 -2.105 15.070 9.092 102 HD12 LEU 24 2HD1 LEU 24 -3.370 15.704 8.039 103 HD13 LEU 24 3HD1 LEU 24 -3.555 14.115 8.782 104 HD21 LEU 24 3HD2 LEU 24 -4.242 15.121 12.128 105 HD22 LEU 24 1HD2 LEU 24 -3.563 13.868 11.089 106 HD23 LEU 24 2HD2 LEU 24 -5.252 14.344 10.909 107 H ASN 25 H ASN 25 -2.329 19.785 10.400 108 HA ASN 25 HA ASN 25 -0.181 20.132 12.144 109 HB2 ASN 25 2HB ASN 25 -1.176 21.384 9.779 110 HB3 ASN 25 3HB ASN 25 -0.777 22.644 10.943 111 HD21 ASN 25 1HD2 ASN 25 1.140 23.427 10.472 112 HD22 ASN 25 2HD2 ASN 25 2.545 22.506 10.068 113 H ASP 26 H ASP 26 -3.280 21.855 11.985 114 HA ASP 26 HA ASP 26 -2.695 23.585 14.173 115 HB2 ASP 26 2HB ASP 26 -4.743 23.333 12.242 116 HB3 ASP 26 3HB ASP 26 -5.523 23.218 13.817 117 H LEU 27 H LEU 27 -4.318 20.481 13.840 118 HA LEU 27 HA LEU 27 -5.463 20.325 16.391 119 HB2 LEU 27 2HB LEU 27 -6.104 18.784 14.677 120 HB3 LEU 27 3HB LEU 27 -4.455 18.179 14.534 121 HG LEU 27 HG LEU 27 -5.124 17.688 17.181 122 HD11 LEU 27 1HD1 LEU 27 -7.246 16.617 17.190 123 HD12 LEU 27 2HD1 LEU 27 -7.441 16.849 15.453 124 HD13 LEU 27 3HD1 LEU 27 -7.482 18.239 16.537 125 HD21 LEU 27 3HD2 LEU 27 -4.012 15.931 16.358 126 HD22 LEU 27 1HD2 LEU 27 -4.617 16.194 14.723 127 HD23 LEU 27 2HD2 LEU 27 -5.600 15.317 15.896 128 H ARG 28 H ARG 28 -2.224 19.569 15.242 129 HA ARG 28 HA ARG 28 -1.293 18.249 17.546 130 HB2 ARG 28 2HB ARG 28 0.762 18.260 16.538 131 HB3 ARG 28 3HB ARG 28 -0.245 18.595 15.136 132 HG2 ARG 28 2HG ARG 28 0.188 21.096 15.869 133 HG3 ARG 28 3HG ARG 28 1.618 20.372 16.606 134 HD2 ARG 28 2HD ARG 28 1.048 19.526 13.845 135 HD3 ARG 28 3HD ARG 28 1.487 21.223 14.041 136 HE ARG 28 HE ARG 28 3.318 19.674 15.475 137 HH11 ARG 28 1HH1 ARG 28 2.368 20.275 12.180 138 HH12 ARG 28 2HH1 ARG 28 3.938 19.937 11.529 139 HH21 ARG 28 1HH2 ARG 28 5.389 19.227 14.630 140 HH22 ARG 28 2HH2 ARG 28 5.655 19.340 12.923 141 H HIS 29 H HIS 29 -1.843 21.588 16.852 142 HA HIS 29 HA HIS 29 -0.325 22.424 19.216 143 HB2 HIS 29 2HB HIS 29 -0.820 23.613 16.679 144 HB3 HIS 29 3HB HIS 29 -1.569 24.634 17.902 145 HD1 HIS 29 HD1 HIS 29 1.801 22.906 17.461 146 HD2 HIS 29 HD2 HIS 29 0.166 26.460 18.859 147 HE1 HIS 29 HE1 HIS 29 3.761 24.319 18.158 148 H LYS 30 H LYS 30 -3.015 21.014 19.110 149 HA LYS 30 HA LYS 30 -4.967 21.031 20.278 150 HB2 LYS 30 2HB LYS 30 -3.645 23.274 21.816 151 HB3 LYS 30 3HB LYS 30 -5.056 22.362 22.337 152 HG2 LYS 30 2HG LYS 30 -3.747 20.854 23.283 153 HG3 LYS 30 3HG LYS 30 -2.984 20.517 21.727 154 HD2 LYS 30 2HD LYS 30 -1.145 21.196 22.890 155 HD3 LYS 30 3HD LYS 30 -1.697 22.768 22.306 156 HE2 LYS 30 2HE LYS 30 -3.109 22.648 24.565 157 HE3 LYS 30 3HE LYS 30 -1.759 21.617 25.038 158 HZ1 LYS 30 3HZ LYS 30 -0.666 23.477 25.488 159 HZ2 LYS 30 1HZ LYS 30 -1.852 24.448 24.771 160 HZ3 LYS 30 2HZ LYS 30 -0.610 23.795 23.828 161 H LYS 31 H LYS 31 -5.097 22.335 17.893 162 HA LYS 31 HA LYS 31 -6.129 24.978 18.085 163 HB2 LYS 31 2HB LYS 31 -5.198 24.257 15.997 164 HB3 LYS 31 3HB LYS 31 -6.295 22.885 15.915 165 HG2 LYS 31 2HG LYS 31 -7.800 25.312 16.118 166 HG3 LYS 31 3HG LYS 31 -6.634 25.433 14.798 167 HD2 LYS 31 2HD LYS 31 -7.560 22.962 14.336 168 HD3 LYS 31 3HD LYS 31 -8.986 23.660 15.109 169 HE2 LYS 31 2HE LYS 31 -7.722 25.365 13.079 170 HE3 LYS 31 3HE LYS 31 -8.398 23.858 12.460 171 HZ1 LYS 31 3HZ LYS 31 -10.474 24.494 13.728 172 HZ2 LYS 31 1HZ LYS 31 -10.124 25.413 12.351 173 HZ3 LYS 31 2HZ LYS 31 -9.799 26.037 13.889 174 H SER 32 H SER 32 -7.606 21.772 17.958 175 HA SER 32 HA SER 32 -10.132 22.985 18.844 176 HB2 SER 32 2HB SER 32 -10.844 20.726 17.331 177 HB3 SER 32 3HB SER 32 -11.121 22.417 16.914 178 HG SER 32 HG SER 32 -9.864 21.011 15.394 179 H ARG 33 H ARG 33 -9.251 19.640 18.063 180 HA ARG 33 HA ARG 33 -8.682 18.741 20.636 181 HB2 ARG 33 2HB ARG 33 -11.341 19.436 20.493 182 HB3 ARG 33 3HB ARG 33 -11.383 17.709 20.161 183 HG2 ARG 33 2HG ARG 33 -11.481 17.542 22.394 184 HG3 ARG 33 3HG ARG 33 -9.732 17.753 22.293 185 HD2 ARG 33 2HD ARG 33 -9.815 19.925 23.021 186 HD3 ARG 33 3HD ARG 33 -11.451 20.179 22.414 187 HE ARG 33 HE ARG 33 -12.254 19.510 24.443 188 HH11 ARG 33 1HH1 ARG 33 -8.968 18.407 24.121 189 HH12 ARG 33 2HH1 ARG 33 -8.869 17.817 25.747 190 HH21 ARG 33 1HH2 ARG 33 -12.136 18.738 26.586 191 HH22 ARG 33 2HH2 ARG 33 -10.672 18.005 27.148 192 H TYR 34 H TYR 34 -10.924 17.509 18.148 193 HA TYR 34 HA TYR 34 -8.926 15.547 17.331 194 HB2 TYR 34 2HB TYR 34 -10.973 13.853 17.404 195 HB3 TYR 34 3HB TYR 34 -9.919 14.089 18.794 196 HD1 TYR 34 HD1 TYR 34 -13.210 14.941 17.352 197 HD2 TYR 34 HD2 TYR 34 -10.742 15.044 20.816 198 HE1 TYR 34 HE1 TYR 34 -15.159 15.565 18.714 199 HE2 TYR 34 HE2 TYR 34 -12.685 15.667 22.189 200 HH TYR 34 HH TYR 34 -15.136 15.479 22.103 201 H VAL 35 H VAL 35 -9.023 15.052 15.206 202 HA VAL 35 HA VAL 35 -11.359 16.018 13.689 203 HB VAL 35 HB VAL 35 -8.512 16.070 12.689 204 HG11 VAL 35 1HG1 VAL 35 -9.815 17.812 11.147 205 HG12 VAL 35 2HG1 VAL 35 -9.722 16.091 10.766 206 HG13 VAL 35 3HG1 VAL 35 -11.161 16.746 11.548 207 HG21 VAL 35 3HG2 VAL 35 -9.862 17.877 14.472 208 HG22 VAL 35 1HG2 VAL 35 -8.198 17.914 13.890 209 HG23 VAL 35 2HG2 VAL 35 -9.477 18.688 12.954 210 H ILE 36 H ILE 36 -12.304 14.555 12.423 211 HA ILE 36 HA ILE 36 -10.891 12.019 11.946 212 HB ILE 36 HB ILE 36 -13.848 12.360 11.594 213 HG12 ILE 36 2HG1 ILE 36 -13.397 13.209 13.829 214 HG13 ILE 36 3HG1 ILE 36 -14.147 11.620 13.940 215 HG21 ILE 36 1HG2 ILE 36 -12.920 9.888 12.746 216 HG22 ILE 36 2HG2 ILE 36 -13.813 10.165 11.251 217 HG23 ILE 36 3HG2 ILE 36 -12.051 10.254 11.255 218 HD11 ILE 36 3HD1 ILE 36 -11.757 12.496 15.118 219 HD12 ILE 36 1HD1 ILE 36 -12.457 10.878 15.149 220 HD13 ILE 36 2HD1 ILE 36 -11.311 11.320 13.882 221 H MET 37 H MET 37 -10.374 11.440 9.935 222 HA MET 37 HA MET 37 -11.669 12.854 7.699 223 HB2 MET 37 2HB MET 37 -8.800 11.930 7.676 224 HB3 MET 37 3HB MET 37 -9.602 12.999 6.533 225 HG2 MET 37 2HG MET 37 -8.827 14.715 7.685 226 HG3 MET 37 3HG MET 37 -9.874 14.235 9.019 227 HE1 MET 37 3HE MET 37 -5.592 13.820 8.161 228 HE2 MET 37 1HE MET 37 -6.070 12.127 8.282 229 HE3 MET 37 2HE MET 37 -6.891 13.195 7.144 230 H HIS 38 H HIS 38 -11.800 11.680 5.703 231 HA HIS 38 HA HIS 38 -11.350 8.793 5.883 232 HB2 HIS 38 2HB HIS 38 -13.555 8.221 5.214 233 HB3 HIS 38 3HB HIS 38 -13.737 9.376 6.532 234 HD1 HIS 38 HD1 HIS 38 -13.589 12.029 5.172 235 HD2 HIS 38 HD2 HIS 38 -15.553 8.779 3.488 236 HE1 HIS 38 HE1 HIS 38 -15.235 13.009 3.543 237 H ILE 39 H ILE 39 -11.546 7.713 3.755 238 HA ILE 39 HA ILE 39 -10.293 9.354 1.721 239 HB ILE 39 HB ILE 39 -10.979 6.424 1.527 240 HG12 ILE 39 2HG1 ILE 39 -8.465 7.719 2.605 241 HG13 ILE 39 3HG1 ILE 39 -9.641 6.804 3.543 242 HG21 ILE 39 1HG2 ILE 39 -8.819 8.016 0.156 243 HG22 ILE 39 2HG2 ILE 39 -9.277 6.342 -0.156 244 HG23 ILE 39 3HG2 ILE 39 -10.389 7.650 -0.558 245 HD11 ILE 39 3HD1 ILE 39 -8.271 5.083 3.207 246 HD12 ILE 39 1HD1 ILE 39 -8.967 5.028 1.588 247 HD13 ILE 39 2HD1 ILE 39 -7.447 5.878 1.866 248 H VAL 40 H VAL 40 -11.285 10.205 0.014 249 HA VAL 40 HA VAL 40 -14.040 9.338 -0.568 250 HB VAL 40 HB VAL 40 -12.723 11.990 -1.173 251 HG11 VAL 40 1HG1 VAL 40 -14.273 12.001 -2.812 252 HG12 VAL 40 2HG1 VAL 40 -15.250 10.748 -2.044 253 HG13 VAL 40 3HG1 VAL 40 -15.363 12.420 -1.491 254 HG21 VAL 40 3HG2 VAL 40 -14.623 11.084 0.965 255 HG22 VAL 40 1HG2 VAL 40 -13.118 11.989 1.128 256 HG23 VAL 40 2HG2 VAL 40 -14.549 12.772 0.458 257 H ASP 41 H ASP 41 -14.465 8.426 -2.471 258 HA ASP 41 HA ASP 41 -14.231 7.638 -4.592 259 HB2 ASP 41 2HB ASP 41 -13.838 10.271 -4.840 260 HB3 ASP 41 3HB ASP 41 -12.238 9.721 -5.329 261 H GLN 42 H GLN 42 -12.146 7.176 -2.363 262 HA GLN 42 HA GLN 42 -10.164 6.082 -2.070 263 HB2 GLN 42 2HB GLN 42 -10.798 4.760 -4.704 264 HB3 GLN 42 3HB GLN 42 -9.916 4.085 -3.340 265 HG2 GLN 42 2HG GLN 42 -11.908 3.054 -3.033 266 HG3 GLN 42 3HG GLN 42 -12.207 4.522 -2.102 267 HE21 GLN 42 1HE2 GLN 42 -14.453 4.113 -2.440 268 HE22 GLN 42 2HE2 GLN 42 -15.205 4.557 -3.930 269 H LYS 43 H LYS 43 -10.017 8.603 -3.502 270 HA LYS 43 HA LYS 43 -7.409 8.194 -4.754 271 HB2 LYS 43 2HB LYS 43 -9.362 8.340 -6.468 272 HB3 LYS 43 3HB LYS 43 -9.371 10.051 -6.063 273 HG2 LYS 43 2HG LYS 43 -6.783 9.807 -6.561 274 HG3 LYS 43 3HG LYS 43 -7.357 8.458 -7.544 275 HD2 LYS 43 2HD LYS 43 -8.333 9.813 -9.060 276 HD3 LYS 43 3HD LYS 43 -8.880 10.959 -7.834 277 HE2 LYS 43 2HE LYS 43 -7.315 12.272 -8.811 278 HE3 LYS 43 3HE LYS 43 -6.249 11.414 -7.699 279 HZ1 LYS 43 3HZ LYS 43 -6.733 10.658 -10.530 280 HZ2 LYS 43 1HZ LYS 43 -5.675 9.884 -9.461 281 HZ3 LYS 43 2HZ LYS 43 -5.365 11.471 -9.957 282 H SER 44 H SER 44 -9.817 10.467 -3.521 283 HA SER 44 HA SER 44 -7.604 12.188 -2.613 284 HB2 SER 44 2HB SER 44 -10.242 13.462 -3.059 285 HB3 SER 44 3HB SER 44 -8.621 14.084 -3.367 286 HG SER 44 HG SER 44 -10.256 13.256 -5.159 287 H ILE 45 H ILE 45 -7.526 12.522 -0.491 288 HA ILE 45 HA ILE 45 -9.568 11.407 1.210 289 HB ILE 45 HB ILE 45 -7.118 12.973 2.021 290 HG12 ILE 45 2HG1 ILE 45 -7.473 9.985 1.701 291 HG13 ILE 45 3HG1 ILE 45 -6.518 11.020 0.646 292 HG21 ILE 45 1HG2 ILE 45 -8.708 10.958 3.595 293 HG22 ILE 45 2HG2 ILE 45 -7.398 11.985 4.176 294 HG23 ILE 45 3HG2 ILE 45 -8.940 12.702 3.710 295 HD11 ILE 45 3HD1 ILE 45 -4.775 10.588 1.932 296 HD12 ILE 45 1HD1 ILE 45 -5.560 11.502 3.220 297 HD13 ILE 45 2HD1 ILE 45 -5.788 9.756 3.112 298 H ALA 46 H ALA 46 -11.147 12.457 2.248 299 HA ALA 46 HA ALA 46 -11.042 15.394 2.379 300 HB1 ALA 46 1HB ALA 46 -13.021 15.704 1.339 301 HB2 ALA 46 2HB ALA 46 -12.612 14.167 0.576 302 HB3 ALA 46 3HB ALA 46 -13.707 14.202 1.958 303 H VAL 47 H VAL 47 -12.670 16.281 3.943 304 HA VAL 47 HA VAL 47 -12.418 14.902 6.441 305 HB VAL 47 HB VAL 47 -12.296 17.364 6.285 306 HG11 VAL 47 1HG1 VAL 47 -13.915 18.668 5.435 307 HG12 VAL 47 2HG1 VAL 47 -14.462 17.183 4.654 308 HG13 VAL 47 3HG1 VAL 47 -15.206 17.713 6.163 309 HG21 VAL 47 3HG2 VAL 47 -13.093 17.634 8.384 310 HG22 VAL 47 1HG2 VAL 47 -14.676 16.965 7.984 311 HG23 VAL 47 2HG2 VAL 47 -13.314 15.887 8.289 312 H LYS 48 H LYS 48 -13.937 13.837 7.613 313 HA LYS 48 HA LYS 48 -16.510 13.336 6.274 314 HB2 LYS 48 2HB LYS 48 -14.641 11.517 7.082 315 HB3 LYS 48 3HB LYS 48 -15.713 11.551 8.477 316 HG2 LYS 48 2HG LYS 48 -16.822 11.229 5.719 317 HG3 LYS 48 3HG LYS 48 -16.151 9.849 6.591 318 HD2 LYS 48 2HD LYS 48 -18.106 9.624 7.628 319 HD3 LYS 48 3HD LYS 48 -17.823 11.180 8.412 320 HE2 LYS 48 2HE LYS 48 -18.754 12.180 6.214 321 HE3 LYS 48 3HE LYS 48 -19.400 10.563 5.940 322 HZ1 LYS 48 3HZ LYS 48 -19.912 11.656 8.570 323 HZ2 LYS 48 1HZ LYS 48 -20.947 10.825 7.521 324 HZ3 LYS 48 2HZ LYS 48 -20.672 12.479 7.303 325 H THR 49 H THR 49 -15.062 13.751 9.496 326 HA THR 49 HA THR 49 -17.278 15.362 10.359 327 HB THR 49 HB THR 49 -16.864 12.667 11.668 328 HG1 THR 49 HG1 THR 49 -18.636 12.075 10.628 329 HG21 THR 49 3HG2 THR 49 -17.346 14.448 13.295 330 HG22 THR 49 1HG2 THR 49 -18.686 13.311 13.155 331 HG23 THR 49 2HG2 THR 49 -18.784 14.890 12.375 332 H ILE 50 H ILE 50 -16.149 16.965 11.252 333 HA ILE 50 HA ILE 50 -13.752 16.362 12.811 334 HB ILE 50 HB ILE 50 -13.705 18.152 11.060 335 HG12 ILE 50 2HG1 ILE 50 -13.157 19.033 13.903 336 HG13 ILE 50 3HG1 ILE 50 -12.067 18.095 12.887 337 HG21 ILE 50 1HG2 ILE 50 -16.038 18.962 11.653 338 HG22 ILE 50 2HG2 ILE 50 -15.286 19.808 13.005 339 HG23 ILE 50 3HG2 ILE 50 -14.823 20.204 11.350 340 HD11 ILE 50 3HD1 ILE 50 -11.248 20.267 12.776 341 HD12 ILE 50 1HD1 ILE 50 -12.162 20.078 11.280 342 HD13 ILE 50 2HD1 ILE 50 -12.859 20.968 12.634 343 H GLY 51 H GLY 51 -13.460 17.051 14.943 344 HA2 GLY 51 2HA GLY 51 -15.924 17.206 16.477 345 HA3 GLY 51 3HA GLY 51 -14.303 17.003 17.123 346 H GLU 52 H GLU 52 -13.053 18.805 17.598 347 HA GLU 52 HA GLU 52 -12.616 20.954 18.206 348 HB2 GLU 52 2HB GLU 52 -14.774 21.839 16.300 349 HB3 GLU 52 3HB GLU 52 -13.356 22.735 16.824 350 HG2 GLU 52 2HG GLU 52 -12.248 20.519 15.669 351 HG3 GLU 52 3HG GLU 52 -13.665 20.807 14.661 352 H ARG 53 H ARG 53 -14.085 19.695 19.991 353 HA ARG 53 HA ARG 53 -15.609 19.885 21.675 354 HB2 ARG 53 2HB ARG 53 -15.302 22.836 21.091 355 HB3 ARG 53 3HB ARG 53 -15.915 22.134 22.582 356 HG2 ARG 53 2HG ARG 53 -13.840 21.465 23.286 357 HG3 ARG 53 3HG ARG 53 -13.197 21.366 21.645 358 HD2 ARG 53 2HD ARG 53 -12.472 23.473 21.708 359 HD3 ARG 53 3HD ARG 53 -14.016 24.059 22.326 360 HE ARG 53 HE ARG 53 -11.650 23.492 23.843 361 HH11 ARG 53 1HH1 ARG 53 -15.123 23.704 23.956 362 HH12 ARG 53 2HH1 ARG 53 -15.179 24.011 25.660 363 HH21 ARG 53 1HH2 ARG 53 -11.710 23.896 26.087 364 HH22 ARG 53 2HH2 ARG 53 -13.237 24.121 26.872 365 H GLY 54 H GLY 54 -16.644 19.628 18.945 366 HA2 GLY 54 2HA GLY 54 -19.304 20.833 19.400 367 HA3 GLY 54 3HA GLY 54 -18.578 20.765 17.801 368 H ALA 55 H ALA 55 -17.463 18.098 18.200 369 HA ALA 55 HA ALA 55 -19.935 16.588 17.761 370 HB1 ALA 55 1HB ALA 55 -18.612 14.993 16.570 371 HB2 ALA 55 2HB ALA 55 -18.163 16.602 16.005 372 HB3 ALA 55 3HB ALA 55 -17.114 15.738 17.130 373 H ASN 56 H ASN 56 -20.592 15.006 19.088 374 HA ASN 56 HA ASN 56 -19.013 14.499 21.488 375 HB2 ASN 56 2HB ASN 56 -21.882 13.974 20.735 376 HB3 ASN 56 3HB ASN 56 -21.159 13.251 22.170 377 HD21 ASN 56 1HD2 ASN 56 -21.227 16.436 20.598 378 HD22 ASN 56 2HD2 ASN 56 -21.564 17.327 22.039 379 H PHE 57 H PHE 57 -19.264 12.155 22.354 380 HA PHE 57 HA PHE 57 -17.918 10.448 20.524 381 HB2 PHE 57 2HB PHE 57 -17.894 8.828 22.317 382 HB3 PHE 57 3HB PHE 57 -17.566 10.420 22.993 383 HD1 PHE 57 HD1 PHE 57 -19.217 11.548 24.381 384 HD2 PHE 57 HD2 PHE 57 -19.911 7.640 22.843 385 HE1 PHE 57 HE1 PHE 57 -21.058 11.247 25.985 386 HE2 PHE 57 HE2 PHE 57 -21.753 7.333 24.444 387 HZ PHE 57 HZ PHE 57 -22.330 9.138 26.018 388 H ASP 58 H ASP 58 -21.233 10.726 21.623 389 HA ASP 58 HA ASP 58 -22.197 8.262 20.669 390 HB2 ASP 58 2HB ASP 58 -23.324 10.069 22.190 391 HB3 ASP 58 3HB ASP 58 -23.903 10.727 20.662 392 H GLN 59 H GLN 59 -22.113 11.474 19.151 393 HA GLN 59 HA GLN 59 -23.258 10.571 16.698 394 HB2 GLN 59 2HB GLN 59 -22.856 12.770 15.877 395 HB3 GLN 59 3HB GLN 59 -23.326 12.936 17.563 396 HG2 GLN 59 2HG GLN 59 -21.056 13.306 18.225 397 HG3 GLN 59 3HG GLN 59 -20.477 12.945 16.600 398 HE21 GLN 59 1HE2 GLN 59 -20.418 14.527 15.112 399 HE22 GLN 59 2HE2 GLN 59 -20.944 16.149 15.385 400 H PHE 60 H PHE 60 -20.015 10.866 17.952 401 HA PHE 60 HA PHE 60 -18.611 10.704 15.513 402 HB2 PHE 60 2HB PHE 60 -17.424 11.425 17.455 403 HB3 PHE 60 3HB PHE 60 -17.848 9.961 18.337 404 HD1 PHE 60 HD2 PHE 60 -16.299 10.699 15.019 405 HD2 PHE 60 HD1 PHE 60 -16.047 8.606 18.716 406 HE1 PHE 60 HE2 PHE 60 -14.200 9.652 14.279 407 HE2 PHE 60 HE1 PHE 60 -13.946 7.556 17.983 408 HZ PHE 60 HZ PHE 60 -13.021 8.078 15.761 409 H ILE 61 H ILE 61 -19.542 8.193 17.852 410 HA ILE 61 HA ILE 61 -18.488 6.051 16.289 411 HB ILE 61 HB ILE 61 -20.521 5.950 18.521 412 HG12 ILE 61 2HG1 ILE 61 -17.554 5.411 18.683 413 HG13 ILE 61 3HG1 ILE 61 -18.259 6.983 19.047 414 HG21 ILE 61 1HG2 ILE 61 -19.219 3.895 16.867 415 HG22 ILE 61 2HG2 ILE 61 -19.219 3.586 18.603 416 HG23 ILE 61 3HG2 ILE 61 -20.742 3.845 17.754 417 HD11 ILE 61 3HD1 ILE 61 -19.673 5.829 20.768 418 HD12 ILE 61 1HD1 ILE 61 -18.692 4.389 20.496 419 HD13 ILE 61 2HD1 ILE 61 -17.942 5.866 21.102 420 H GLU 62 H GLU 62 -21.717 7.424 16.754 421 HA GLU 62 HA GLU 62 -23.173 5.527 15.305 422 HB2 GLU 62 2HB GLU 62 -23.613 8.411 15.984 423 HB3 GLU 62 3HB GLU 62 -24.714 7.601 14.878 424 HG2 GLU 62 2HG GLU 62 -25.140 5.894 16.609 425 HG3 GLU 62 3HG GLU 62 -24.113 6.803 17.716 426 H ALA 63 H ALA 63 -21.460 8.427 14.247 427 HA ALA 63 HA ALA 63 -22.331 8.244 11.529 428 HB1 ALA 63 1HB ALA 63 -20.399 9.886 11.176 429 HB2 ALA 63 2HB ALA 63 -21.733 10.398 12.211 430 HB3 ALA 63 3HB ALA 63 -20.220 9.849 12.931 431 H ILE 64 H ILE 64 -19.199 7.619 13.119 432 HA ILE 64 HA ILE 64 -17.925 6.573 10.838 433 HB ILE 64 HB ILE 64 -17.344 6.048 13.755 434 HG12 ILE 64 2HG1 ILE 64 -17.223 8.429 13.022 435 HG13 ILE 64 3HG1 ILE 64 -15.673 7.782 13.547 436 HG21 ILE 64 1HG2 ILE 64 -16.229 4.902 11.361 437 HG22 ILE 64 2HG2 ILE 64 -15.005 5.803 12.253 438 HG23 ILE 64 3HG2 ILE 64 -15.903 4.511 13.049 439 HD11 ILE 64 3HD1 ILE 64 -14.929 7.565 11.289 440 HD12 ILE 64 1HD1 ILE 64 -16.525 7.990 10.672 441 HD13 ILE 64 2HD1 ILE 64 -15.555 9.197 11.517 442 H ASP 65 H ASP 65 -18.151 4.696 9.826 443 HA ASP 65 HA ASP 65 -19.652 2.553 11.161 444 HB2 ASP 65 2HB ASP 65 -19.026 2.595 8.224 445 HB3 ASP 65 3HB ASP 65 -20.368 1.819 9.060 446 H LYS 66 H LYS 66 -18.933 0.375 9.715 447 HA LYS 66 HA LYS 66 -16.034 0.123 10.179 448 HB2 LYS 66 2HB LYS 66 -16.584 -2.300 10.790 449 HB3 LYS 66 3HB LYS 66 -16.988 -1.062 11.972 450 HG2 LYS 66 2HG LYS 66 -19.127 -1.636 11.942 451 HG3 LYS 66 3HG LYS 66 -19.196 -1.510 10.183 452 HD2 LYS 66 2HD LYS 66 -19.776 -3.762 10.915 453 HD3 LYS 66 3HD LYS 66 -18.274 -3.772 9.989 454 HE2 LYS 66 2HE LYS 66 -17.149 -4.635 11.703 455 HE3 LYS 66 3HE LYS 66 -17.738 -3.378 12.790 456 HZ1 LYS 66 3HZ LYS 66 -18.694 -5.153 13.775 457 HZ2 LYS 66 1HZ LYS 66 -18.738 -6.079 12.360 458 HZ3 LYS 66 2HZ LYS 66 -19.902 -4.881 12.622 459 H ASN 67 H ASN 67 -16.247 0.737 7.785 460 HA ASN 67 HA ASN 67 -16.012 -1.718 6.256 461 HB2 ASN 67 2HB ASN 67 -18.406 -0.252 6.160 462 HB3 ASN 67 3HB ASN 67 -17.546 0.156 4.678 463 HD21 ASN 67 1HD2 ASN 67 -17.576 -1.242 3.045 464 HD22 ASN 67 2HD2 ASN 67 -18.208 -2.848 3.121 465 H VAL 68 H VAL 68 -16.308 1.785 5.635 466 HA VAL 68 HA VAL 68 -14.101 1.709 3.779 467 HB VAL 68 HB VAL 68 -14.505 4.058 3.426 468 HG11 VAL 68 1HG1 VAL 68 -17.246 2.889 3.749 469 HG12 VAL 68 2HG1 VAL 68 -16.625 3.932 2.468 470 HG13 VAL 68 3HG1 VAL 68 -16.115 2.246 2.558 471 HG21 VAL 68 3HG2 VAL 68 -15.080 5.322 5.167 472 HG22 VAL 68 1HG2 VAL 68 -16.720 4.699 4.991 473 HG23 VAL 68 2HG2 VAL 68 -15.593 3.914 6.097 474 HA PRO 69 HA PRO 69 -10.817 2.747 6.504 475 HB2 PRO 69 2HB PRO 69 -9.244 4.232 4.864 476 HB3 PRO 69 3HB PRO 69 -9.410 2.479 4.707 477 HG2 PRO 69 2HG PRO 69 -10.762 4.656 3.159 478 HG3 PRO 69 3HG PRO 69 -10.053 3.139 2.572 479 HD2 PRO 69 2HD PRO 69 -12.717 3.455 2.943 480 HD3 PRO 69 3HD PRO 69 -11.898 1.897 3.176 481 H CYS 70 H CYS 70 -10.611 4.206 8.081 482 HA CYS 70 HA CYS 70 -10.904 7.045 7.505 483 HB2 CYS 70 2HB CYS 70 -12.662 5.536 9.441 484 HB3 CYS 70 3HB CYS 70 -12.446 7.281 9.510 485 HG CYS 70 HG CYS 70 -14.593 7.553 8.106 486 H TYR 71 H TYR 71 -9.765 8.361 8.883 487 HA TYR 71 HA TYR 71 -8.263 7.010 11.029 488 HB2 TYR 71 2HB TYR 71 -7.244 9.254 9.276 489 HB3 TYR 71 3HB TYR 71 -6.337 8.392 10.514 490 HD1 TYR 71 HD2 TYR 71 -7.704 8.225 7.121 491 HD2 TYR 71 HD1 TYR 71 -5.494 6.151 10.106 492 HE1 TYR 71 HE2 TYR 71 -6.957 6.601 5.431 493 HE2 TYR 71 HE1 TYR 71 -4.740 4.522 8.425 494 HH TYR 71 HH TYR 71 -4.522 4.815 5.549 495 H ALA 72 H ALA 72 -8.371 7.908 12.988 496 HA ALA 72 HA ALA 72 -9.584 10.585 13.209 497 HB1 ALA 72 1HB ALA 72 -10.337 9.854 15.466 498 HB2 ALA 72 2HB ALA 72 -11.045 8.930 14.140 499 HB3 ALA 72 3HB ALA 72 -9.732 8.239 15.095 500 H ALA 73 H ALA 73 -8.291 12.136 13.925 501 HA ALA 73 HA ALA 73 -5.878 11.383 15.429 502 HB1 ALA 73 1HB ALA 73 -4.752 13.147 14.484 503 HB2 ALA 73 2HB ALA 73 -5.847 12.708 13.172 504 HB3 ALA 73 3HB ALA 73 -6.222 14.082 14.211 505 H PHE 74 H PHE 74 -6.161 11.580 17.554 506 HA PHE 74 HA PHE 74 -7.687 13.892 18.555 507 HB2 PHE 74 2HB PHE 74 -8.790 11.872 19.212 508 HB3 PHE 74 3HB PHE 74 -7.276 11.145 19.739 509 HD1 PHE 74 HD2 PHE 74 -8.591 14.547 20.433 510 HD2 PHE 74 HD1 PHE 74 -7.614 10.710 21.994 511 HE1 PHE 74 HE2 PHE 74 -8.992 15.377 22.714 512 HE2 PHE 74 HE1 PHE 74 -8.015 11.534 24.278 513 HZ PHE 74 HZ PHE 74 -8.703 13.870 24.640 514 H ASP 75 H ASP 75 -6.632 15.375 19.700 515 HA ASP 75 HA ASP 75 -3.844 14.863 20.413 516 HB2 ASP 75 2HB ASP 75 -4.025 16.875 19.218 517 HB3 ASP 75 3HB ASP 75 -5.486 17.359 20.075 518 H PHE 76 H PHE 76 -3.246 14.439 22.428 519 HA PHE 76 HA PHE 76 -5.080 15.169 24.616 520 HB2 PHE 76 2HB PHE 76 -4.657 12.653 23.985 521 HB3 PHE 76 3HB PHE 76 -3.153 12.892 24.870 522 HD1 PHE 76 HD1 PHE 76 -3.699 14.370 27.160 523 HD2 PHE 76 HD2 PHE 76 -6.250 11.573 25.214 524 HE1 PHE 76 HE1 PHE 76 -4.884 13.981 29.281 525 HE2 PHE 76 HE2 PHE 76 -7.440 11.180 27.331 526 HZ PHE 76 HZ PHE 76 -6.758 12.385 29.368 527 H GLU 77 H GLU 77 -4.260 16.818 25.718 528 HA GLU 77 HA GLU 77 -1.381 17.207 25.866 529 HB2 GLU 77 2HB GLU 77 -2.007 19.340 27.019 530 HB3 GLU 77 3HB GLU 77 -2.653 19.178 25.392 531 HG2 GLU 77 2HG GLU 77 -4.745 19.343 26.107 532 HG3 GLU 77 3HG GLU 77 -4.486 18.141 27.371 533 H TYR 78 H TYR 78 -0.149 16.909 27.637 534 HA TYR 78 HA TYR 78 -1.345 16.586 30.255 535 HB2 TYR 78 2HB TYR 78 -1.182 14.313 28.821 536 HB3 TYR 78 3HB TYR 78 0.435 14.331 29.514 537 HD1 TYR 78 HD1 TYR 78 -2.978 15.171 30.803 538 HD2 TYR 78 HD2 TYR 78 0.603 12.935 31.335 539 HE1 TYR 78 HE1 TYR 78 -3.874 14.246 32.899 540 HE2 TYR 78 HE2 TYR 78 -0.283 12.003 33.431 541 HH TYR 78 HH TYR 78 -2.642 13.234 35.138 542 H THR 79 H THR 79 0.512 15.916 31.855 543 HA THR 79 HA THR 79 2.770 17.693 31.252 544 HB THR 79 HB THR 79 1.630 18.364 33.244 545 HG1 THR 79 HG1 THR 79 3.350 17.998 34.804 546 HG21 THR 79 3HG2 THR 79 1.498 15.472 33.725 547 HG22 THR 79 1HG2 THR 79 0.401 16.756 34.232 548 HG23 THR 79 2HG2 THR 79 1.869 16.434 35.156 549 H THR 80 H THR 80 3.377 15.635 29.915 550 HA THR 80 HA THR 80 4.514 13.459 31.406 551 HB THR 80 HB THR 80 4.820 14.184 28.486 552 HG1 THR 80 HG1 THR 80 2.679 13.632 29.064 553 HG21 THR 80 3HG2 THR 80 6.551 12.728 28.672 554 HG22 THR 80 1HG2 THR 80 5.257 11.533 28.587 555 HG23 THR 80 2HG2 THR 80 5.923 12.002 30.151 556 H ASN 81 H ASN 81 5.851 16.136 29.475 557 HA ASN 81 HA ASN 81 8.553 15.518 30.228 558 HB2 ASN 81 2HB ASN 81 7.838 16.613 28.052 559 HB3 ASN 81 3HB ASN 81 7.564 18.084 28.981 560 HD21 ASN 81 1HD2 ASN 81 9.651 16.757 26.968 561 HD22 ASN 81 2HD2 ASN 81 11.140 17.412 27.550 562 H ASP 82 H ASP 82 6.075 17.782 31.260 563 HA ASP 82 HA ASP 82 7.050 18.094 33.839 564 HB2 ASP 82 2HB ASP 82 8.475 19.689 31.910 565 HB3 ASP 82 3HB ASP 82 7.609 20.736 33.031 566 H GLY 83 H GLY 83 5.328 19.509 31.138 567 HA2 GLY 83 2HA GLY 83 2.943 19.834 32.609 568 HA3 GLY 83 3HA GLY 83 3.763 21.384 32.500 569 HA PRO 84 HA PRO 84 2.060 22.109 28.532 570 HB2 PRO 84 2HB PRO 84 4.102 23.319 27.214 571 HB3 PRO 84 3HB PRO 84 3.191 24.108 28.507 572 HG2 PRO 84 2HG PRO 84 5.857 22.752 28.624 573 HG3 PRO 84 3HG PRO 84 5.346 24.279 29.366 574 HD2 PRO 84 2HD PRO 84 5.499 21.962 30.758 575 HD3 PRO 84 3HD PRO 84 4.300 23.219 31.125 576 H ARG 85 H ARG 85 2.136 19.649 28.267 577 HA ARG 85 HA ARG 85 3.856 19.003 25.964 578 HB2 ARG 85 2HB ARG 85 3.954 17.779 28.449 579 HB3 ARG 85 3HB ARG 85 2.964 16.685 27.492 580 HG2 ARG 85 2HG ARG 85 5.389 17.623 26.143 581 HG3 ARG 85 3HG ARG 85 5.672 16.647 27.586 582 HD2 ARG 85 2HD ARG 85 5.137 14.789 26.494 583 HD3 ARG 85 3HD ARG 85 3.586 15.474 26.010 584 HE ARG 85 HE ARG 85 5.295 16.615 24.273 585 HH11 ARG 85 1HH1 ARG 85 4.792 13.314 25.257 586 HH12 ARG 85 2HH1 ARG 85 5.274 12.648 23.732 587 HH21 ARG 85 1HH2 ARG 85 5.933 15.751 22.261 588 HH22 ARG 85 2HH2 ARG 85 5.924 14.035 22.029 589 H ASP 86 H ASP 86 2.951 17.690 24.349 590 HA ASP 86 HA ASP 86 0.116 17.026 24.560 591 HB2 ASP 86 2HB ASP 86 -0.223 18.043 22.238 592 HB3 ASP 86 3HB ASP 86 -0.098 19.168 23.588 593 H LYS 87 H LYS 87 -0.404 15.178 23.537 594 HA LYS 87 HA LYS 87 1.559 14.045 21.656 595 HB2 LYS 87 2HB LYS 87 0.599 12.974 24.190 596 HB3 LYS 87 3HB LYS 87 0.334 11.860 22.855 597 HG2 LYS 87 2HG LYS 87 3.003 13.112 23.012 598 HG3 LYS 87 3HG LYS 87 2.596 11.945 24.272 599 HD2 LYS 87 2HD LYS 87 2.915 10.247 22.870 600 HD3 LYS 87 3HD LYS 87 1.787 10.943 21.705 601 HE2 LYS 87 2HE LYS 87 4.606 11.942 21.959 602 HE3 LYS 87 3HE LYS 87 4.208 10.549 20.954 603 HZ1 LYS 87 3HZ LYS 87 3.062 13.275 20.670 604 HZ2 LYS 87 1HZ LYS 87 2.666 11.939 19.711 605 HZ3 LYS 87 2HZ LYS 87 4.229 12.582 19.660 606 H LEU 88 H LEU 88 0.704 13.640 19.734 607 HA LEU 88 HA LEU 88 -2.192 13.573 19.433 608 HB2 LEU 88 2HB LEU 88 0.096 13.765 17.497 609 HB3 LEU 88 3HB LEU 88 -1.561 13.496 16.962 610 HG LEU 88 HG LEU 88 -2.149 15.651 18.169 611 HD11 LEU 88 1HD1 LEU 88 0.220 17.030 18.016 612 HD12 LEU 88 2HD1 LEU 88 0.705 15.491 18.726 613 HD13 LEU 88 3HD1 LEU 88 -0.550 16.460 19.497 614 HD21 LEU 88 3HD2 LEU 88 -1.891 16.801 16.229 615 HD22 LEU 88 1HD2 LEU 88 -1.507 15.189 15.626 616 HD23 LEU 88 2HD2 LEU 88 -0.208 16.311 16.030 617 H ILE 89 H ILE 89 -3.355 11.804 18.963 618 HA ILE 89 HA ILE 89 -1.883 9.303 18.440 619 HB ILE 89 HB ILE 89 -4.607 9.290 19.672 620 HG12 ILE 89 2HG1 ILE 89 -3.399 10.821 21.100 621 HG13 ILE 89 3HG1 ILE 89 -3.523 9.267 21.919 622 HG21 ILE 89 1HG2 ILE 89 -2.413 7.419 19.200 623 HG22 ILE 89 2HG2 ILE 89 -3.094 7.326 20.823 624 HG23 ILE 89 3HG2 ILE 89 -4.137 7.116 19.417 625 HD11 ILE 89 3HD1 ILE 89 -1.341 9.409 22.260 626 HD12 ILE 89 1HD1 ILE 89 -1.134 9.113 20.534 627 HD13 ILE 89 2HD1 ILE 89 -1.184 10.767 21.146 628 H LEU 90 H LEU 90 -2.770 7.827 16.976 629 HA LEU 90 HA LEU 90 -4.970 8.862 15.313 630 HB2 LEU 90 2HB LEU 90 -2.878 9.148 14.134 631 HB3 LEU 90 3HB LEU 90 -2.457 7.460 14.415 632 HG LEU 90 HG LEU 90 -4.947 8.052 12.897 633 HD11 LEU 90 1HD1 LEU 90 -2.183 8.654 11.981 634 HD12 LEU 90 2HD1 LEU 90 -3.701 9.469 11.609 635 HD13 LEU 90 3HD1 LEU 90 -3.315 7.930 10.838 636 HD21 LEU 90 3HD2 LEU 90 -3.441 5.789 13.559 637 HD22 LEU 90 1HD2 LEU 90 -3.173 6.054 11.836 638 HD23 LEU 90 2HD2 LEU 90 -4.815 5.880 12.456 639 H ILE 91 H ILE 91 -6.665 7.557 15.320 640 HA ILE 91 HA ILE 91 -6.220 4.674 15.750 641 HB ILE 91 HB ILE 91 -8.617 6.334 16.539 642 HG12 ILE 91 2HG1 ILE 91 -7.632 5.037 18.776 643 HG13 ILE 91 3HG1 ILE 91 -6.173 5.513 17.915 644 HG21 ILE 91 1HG2 ILE 91 -9.656 4.358 16.147 645 HG22 ILE 91 2HG2 ILE 91 -8.177 3.417 16.329 646 HG23 ILE 91 3HG2 ILE 91 -9.035 3.995 17.757 647 HD11 ILE 91 3HD1 ILE 91 -6.570 7.311 19.301 648 HD12 ILE 91 1HD1 ILE 91 -7.296 7.833 17.781 649 HD13 ILE 91 2HD1 ILE 91 -8.318 7.225 19.084 650 H SER 92 H SER 92 -6.843 3.347 14.179 651 HA SER 92 HA SER 92 -8.505 4.440 12.015 652 HB2 SER 92 2HB SER 92 -6.707 3.685 10.845 653 HB3 SER 92 3HB SER 92 -6.231 2.552 12.110 654 HG SER 92 HG SER 92 -6.943 1.413 10.305 655 H TRP 93 H TRP 93 -10.479 3.659 11.653 656 HA TRP 93 HA TRP 93 -11.286 1.228 13.107 657 HB2 TRP 93 2HB TRP 93 -12.372 3.576 13.550 658 HB3 TRP 93 3HB TRP 93 -13.264 3.226 12.072 659 HD1 TRP 93 HD1 TRP 93 -13.442 -0.012 12.852 660 HE1 TRP 93 HE1 TRP 93 -15.255 -0.685 14.551 661 HE3 TRP 93 HE3 TRP 93 -14.272 4.551 15.002 662 HZ2 TRP 93 HZ2 TRP 93 -16.829 0.555 16.540 663 HZ3 TRP 93 HZ3 TRP 93 -15.948 4.722 16.796 664 HH2 TRP 93 HH2 TRP 93 -17.199 2.765 17.546 665 H ASN 94 H ASN 94 -11.465 -0.492 11.841 666 HA ASN 94 HA ASN 94 -13.171 -0.674 9.651 667 HB2 ASN 94 2HB ASN 94 -11.792 0.594 8.260 668 HB3 ASN 94 3HB ASN 94 -10.315 -0.050 8.972 669 HD21 ASN 94 1HD2 ASN 94 -13.091 -0.903 6.975 670 HD22 ASN 94 2HD2 ASN 94 -12.280 -2.118 6.051 671 HA PRO 95 HA PRO 95 -12.410 -4.850 10.924 672 HB2 PRO 95 2HB PRO 95 -14.109 -6.037 9.171 673 HB3 PRO 95 3HB PRO 95 -14.662 -5.181 10.615 674 HG2 PRO 95 2HG PRO 95 -14.546 -4.231 7.779 675 HG3 PRO 95 3HG PRO 95 -15.833 -4.015 8.979 676 HD2 PRO 95 2HD PRO 95 -14.044 -2.069 8.395 677 HD3 PRO 95 3HD PRO 95 -14.747 -2.265 10.013 678 H ASP 96 H ASP 96 -10.865 -6.252 10.364 679 HA ASP 96 HA ASP 96 -9.297 -5.951 8.064 680 HB2 ASP 96 2HB ASP 96 -9.551 -8.380 9.851 681 HB3 ASP 96 3HB ASP 96 -8.234 -8.065 8.725 682 H SER 97 H SER 97 -12.205 -7.734 8.621 683 HA SER 97 HA SER 97 -11.899 -9.150 6.066 684 HB2 SER 97 2HB SER 97 -13.294 -9.740 8.592 685 HB3 SER 97 3HB SER 97 -14.220 -10.118 7.140 686 HG SER 97 HG SER 97 -13.052 -11.862 7.114 687 H GLY 98 H GLY 98 -12.788 -6.247 6.779 688 HA2 GLY 98 2HA GLY 98 -15.476 -5.921 6.068 689 HA3 GLY 98 3HA GLY 98 -14.225 -4.701 5.880 690 H ALA 99 H ALA 99 -13.365 -4.305 3.887 691 HA ALA 99 HA ALA 99 -14.343 -5.967 1.661 692 HB1 ALA 99 1HB ALA 99 -15.695 -4.152 1.334 693 HB2 ALA 99 2HB ALA 99 -14.534 -3.021 2.032 694 HB3 ALA 99 3HB ALA 99 -14.281 -3.653 0.405 695 HA PRO 100 HA PRO 100 -10.231 -6.083 0.135 696 HB2 PRO 100 2HB PRO 100 -10.607 -5.952 -2.551 697 HB3 PRO 100 3HB PRO 100 -11.013 -7.381 -1.592 698 HG2 PRO 100 2HG PRO 100 -12.803 -5.201 -2.593 699 HG3 PRO 100 3HG PRO 100 -13.076 -6.953 -2.575 700 HD2 PRO 100 2HD PRO 100 -14.158 -5.291 -0.731 701 HD3 PRO 100 3HD PRO 100 -13.689 -6.961 -0.353 702 H ARG 101 H ARG 101 -12.239 -3.539 -1.316 703 HA ARG 101 HA ARG 101 -10.126 -1.971 -2.317 704 HB2 ARG 101 2HB ARG 101 -12.992 -1.425 -1.625 705 HB3 ARG 101 3HB ARG 101 -11.926 -0.096 -2.063 706 HG2 ARG 101 2HG ARG 101 -13.026 -0.723 -4.042 707 HG3 ARG 101 3HG ARG 101 -11.395 -1.386 -4.170 708 HD2 ARG 101 2HD ARG 101 -12.151 -3.573 -3.641 709 HD3 ARG 101 3HD ARG 101 -13.738 -2.977 -3.155 710 HE ARG 101 HE ARG 101 -14.370 -2.934 -5.363 711 HH11 ARG 101 1HH1 ARG 101 -10.923 -3.370 -5.143 712 HH12 ARG 101 2HH1 ARG 101 -10.729 -3.723 -6.828 713 HH21 ARG 101 1HH2 ARG 101 -14.127 -3.397 -7.583 714 HH22 ARG 101 2HH2 ARG 101 -12.552 -3.737 -8.215 715 H THR 102 H THR 102 -11.896 -1.850 0.754 716 HA THR 102 HA THR 102 -10.482 0.399 1.773 717 HB THR 102 HB THR 102 -12.672 -0.156 2.663 718 HG1 THR 102 HG1 THR 102 -12.122 0.406 4.663 719 HG21 THR 102 3HG2 THR 102 -11.389 -2.653 3.776 720 HG22 THR 102 1HG2 THR 102 -12.512 -2.607 2.418 721 HG23 THR 102 2HG2 THR 102 -13.054 -2.130 4.027 722 H LYS 103 H LYS 103 -10.059 -3.089 2.024 723 HA LYS 103 HA LYS 103 -8.099 -3.108 4.037 724 HB2 LYS 103 2HB LYS 103 -9.134 -4.994 2.035 725 HB3 LYS 103 3HB LYS 103 -7.459 -5.276 2.489 726 HG2 LYS 103 2HG LYS 103 -8.908 -4.821 4.871 727 HG3 LYS 103 3HG LYS 103 -9.833 -5.963 3.893 728 HD2 LYS 103 2HD LYS 103 -6.896 -6.374 4.174 729 HD3 LYS 103 3HD LYS 103 -7.941 -6.786 5.536 730 HE2 LYS 103 2HE LYS 103 -8.199 -8.759 4.515 731 HE3 LYS 103 3HE LYS 103 -9.270 -7.896 3.412 732 HZ1 LYS 103 3HZ LYS 103 -7.041 -9.270 2.701 733 HZ2 LYS 103 1HZ LYS 103 -6.500 -7.667 2.700 734 HZ3 LYS 103 2HZ LYS 103 -7.826 -8.113 1.749 735 H MET 104 H MET 104 -7.782 -3.079 0.494 736 HA MET 104 HA MET 104 -4.935 -2.974 0.537 737 HB2 MET 104 2HB MET 104 -7.001 -3.185 -1.431 738 HB3 MET 104 3HB MET 104 -5.907 -1.891 -1.899 739 HG2 MET 104 2HG MET 104 -4.060 -3.332 -1.982 740 HG3 MET 104 3HG MET 104 -4.907 -4.600 -1.101 741 HE1 MET 104 3HE MET 104 -3.161 -4.629 -3.489 742 HE2 MET 104 1HE MET 104 -3.898 -5.806 -4.577 743 HE3 MET 104 2HE MET 104 -3.859 -4.099 -5.021 744 H LEU 105 H LEU 105 -7.470 -0.542 0.010 745 HA LEU 105 HA LEU 105 -5.856 1.654 -0.511 746 HB2 LEU 105 2HB LEU 105 -8.562 1.336 0.720 747 HB3 LEU 105 3HB LEU 105 -7.806 2.927 0.653 748 HG LEU 105 HG LEU 105 -8.350 1.204 -1.761 749 HD11 LEU 105 1HD1 LEU 105 -10.377 2.161 -2.033 750 HD12 LEU 105 2HD1 LEU 105 -9.887 3.677 -1.278 751 HD13 LEU 105 3HD1 LEU 105 -10.299 2.285 -0.275 752 HD21 LEU 105 3HD2 LEU 105 -8.077 4.080 -2.099 753 HD22 LEU 105 1HD2 LEU 105 -7.307 2.757 -2.976 754 HD23 LEU 105 2HD2 LEU 105 -6.619 3.324 -1.454 755 H TYR 106 H TYR 106 -6.595 0.079 2.512 756 HA TYR 106 HA TYR 106 -5.859 2.090 4.307 757 HB2 TYR 106 2HB TYR 106 -6.970 0.124 5.119 758 HB3 TYR 106 3HB TYR 106 -5.681 -0.918 4.528 759 HD1 TYR 106 HD2 TYR 106 -6.307 1.864 6.929 760 HD2 TYR 106 HD1 TYR 106 -3.970 -1.558 5.966 761 HE1 TYR 106 HE2 TYR 106 -5.188 2.021 9.114 762 HE2 TYR 106 HE1 TYR 106 -2.846 -1.412 8.148 763 HH TYR 106 HH TYR 106 -3.499 1.257 10.376 764 H SER 107 H SER 107 -3.923 -0.171 2.457 765 HA SER 107 HA SER 107 -1.476 0.663 3.800 766 HB2 SER 107 2HB SER 107 -2.004 -1.748 3.066 767 HB3 SER 107 3HB SER 107 -1.637 -1.195 1.432 768 HG SER 107 HG SER 107 0.054 -1.507 3.637 769 H SER 108 H SER 108 -3.190 1.136 0.799 770 HA SER 108 HA SER 108 -1.058 2.255 -0.690 771 HB2 SER 108 2HB SER 108 -3.078 1.420 -1.784 772 HB3 SER 108 3HB SER 108 -4.047 2.653 -0.976 773 HG SER 108 HG SER 108 -3.560 3.901 -2.581 774 H SER 109 H SER 109 -3.572 3.673 1.356 775 HA SER 109 HA SER 109 -2.615 6.361 0.892 776 HB2 SER 109 2HB SER 109 -4.406 7.059 2.368 777 HB3 SER 109 3HB SER 109 -5.033 5.847 1.251 778 HG SER 109 HG SER 109 -5.612 4.798 2.966 779 H ARG 110 H ARG 110 -1.997 3.804 3.090 780 HA ARG 110 HA ARG 110 -1.194 5.235 5.366 781 HB2 ARG 110 2HB ARG 110 -1.106 2.522 4.440 782 HB3 ARG 110 3HB ARG 110 0.454 2.946 5.133 783 HG2 ARG 110 2HG ARG 110 -1.545 3.932 6.874 784 HG3 ARG 110 3HG ARG 110 -1.961 2.267 6.461 785 HD2 ARG 110 2HD ARG 110 0.776 3.120 7.384 786 HD3 ARG 110 3HD ARG 110 -0.484 2.550 8.479 787 HE ARG 110 HE ARG 110 -0.245 0.613 6.538 788 HH11 ARG 110 1HH1 ARG 110 1.837 2.091 8.904 789 HH12 ARG 110 2HH1 ARG 110 2.821 0.680 9.111 790 HH21 ARG 110 1HH2 ARG 110 1.043 -1.251 6.801 791 HH22 ARG 110 2HH2 ARG 110 2.369 -1.220 7.913 792 H ASP 111 H ASP 111 0.554 4.305 2.447 793 HA ASP 111 HA ASP 111 3.134 5.023 3.265 794 HB2 ASP 111 2HB ASP 111 1.942 4.071 0.920 795 HB3 ASP 111 3HB ASP 111 2.683 5.602 0.462 796 H ALA 112 H ALA 112 0.591 6.928 1.698 797 HA ALA 112 HA ALA 112 2.200 9.314 1.620 798 HB1 ALA 112 1HB ALA 112 0.458 8.816 -0.069 799 HB2 ALA 112 2HB ALA 112 -0.769 9.034 1.179 800 HB3 ALA 112 3HB ALA 112 0.253 10.390 0.702 801 H LEU 113 H LEU 113 0.034 7.823 3.856 802 HA LEU 113 HA LEU 113 -0.485 10.248 5.344 803 HB2 LEU 113 2HB LEU 113 -1.349 7.431 5.455 804 HB3 LEU 113 3HB LEU 113 -1.281 8.275 7.001 805 HG LEU 113 HG LEU 113 -2.756 9.495 4.703 806 HD11 LEU 113 1HD1 LEU 113 -4.558 8.150 4.861 807 HD12 LEU 113 2HD1 LEU 113 -4.308 7.830 6.577 808 HD13 LEU 113 3HD1 LEU 113 -3.356 6.964 5.371 809 HD21 LEU 113 3HD2 LEU 113 -2.695 9.731 7.672 810 HD22 LEU 113 1HD2 LEU 113 -4.188 10.109 6.814 811 HD23 LEU 113 2HD2 LEU 113 -2.708 10.992 6.438 812 H VAL 114 H VAL 114 1.940 7.861 5.229 813 HA VAL 114 HA VAL 114 2.786 7.763 7.900 814 HB VAL 114 HB VAL 114 4.082 7.222 5.276 815 HG11 VAL 114 1HG1 VAL 114 6.190 6.629 6.616 816 HG12 VAL 114 2HG1 VAL 114 5.914 8.325 6.215 817 HG13 VAL 114 3HG1 VAL 114 5.556 7.732 7.838 818 HG21 VAL 114 3HG2 VAL 114 2.828 5.735 7.289 819 HG22 VAL 114 1HG2 VAL 114 3.667 5.119 5.865 820 HG23 VAL 114 2HG2 VAL 114 4.539 5.319 7.385 821 HA PRO 115 HA PRO 115 5.800 11.388 6.802 822 HB2 PRO 115 2HB PRO 115 5.298 12.751 4.508 823 HB3 PRO 115 3HB PRO 115 6.358 11.338 4.573 824 HG2 PRO 115 2HG PRO 115 3.496 11.520 3.717 825 HG3 PRO 115 3HG PRO 115 4.832 10.626 2.970 826 HD2 PRO 115 2HD PRO 115 2.986 9.434 4.552 827 HD3 PRO 115 3HD PRO 115 4.672 8.884 4.471 828 H LEU 116 H LEU 116 2.458 11.770 5.692 829 HA LEU 116 HA LEU 116 2.204 14.491 6.455 830 HB2 LEU 116 2HB LEU 116 0.697 12.729 5.017 831 HB3 LEU 116 3HB LEU 116 -0.240 12.872 6.503 832 HG LEU 116 HG LEU 116 -1.033 14.406 4.774 833 HD11 LEU 116 1HD1 LEU 116 -1.636 15.648 6.507 834 HD12 LEU 116 2HD1 LEU 116 -0.112 16.524 6.375 835 HD13 LEU 116 3HD1 LEU 116 -0.230 15.114 7.428 836 HD21 LEU 116 3HD2 LEU 116 1.252 16.220 4.940 837 HD22 LEU 116 1HD2 LEU 116 0.286 15.732 3.547 838 HD23 LEU 116 2HD2 LEU 116 1.603 14.702 4.111 839 H THR 117 H THR 117 1.235 11.451 8.019 840 HA THR 117 HA THR 117 0.819 12.955 10.518 841 HB THR 117 HB THR 117 -0.677 11.251 11.263 842 HG1 THR 117 HG1 THR 117 -1.077 9.430 9.738 843 HG21 THR 117 3HG2 THR 117 -1.595 11.327 8.453 844 HG22 THR 117 1HG2 THR 117 -1.277 12.886 9.213 845 HG23 THR 117 2HG2 THR 117 -2.441 11.774 9.934 846 H GLN 118 H GLN 118 3.409 12.479 9.976 847 HA GLN 118 HA GLN 118 4.246 9.978 11.174 848 HB2 GLN 118 2HB GLN 118 5.377 11.643 9.311 849 HB3 GLN 118 3HB GLN 118 6.289 12.045 10.760 850 HG2 GLN 118 2HG GLN 118 6.157 9.255 10.708 851 HG3 GLN 118 3HG GLN 118 6.493 9.751 9.050 852 HE21 GLN 118 1HE2 GLN 118 8.310 11.207 8.721 853 HE22 GLN 118 2HE2 GLN 118 9.680 11.089 9.767 854 H GLY 119 H GLY 119 5.103 9.696 13.183 855 HA2 GLY 119 2HA GLY 119 6.059 10.397 15.229 856 HA3 GLY 119 3HA GLY 119 5.561 12.044 14.869 857 H PHE 120 H PHE 120 3.087 9.851 14.248 858 HA PHE 120 HA PHE 120 1.915 10.307 16.912 859 HB2 PHE 120 2HB PHE 120 0.295 10.190 14.373 860 HB3 PHE 120 3HB PHE 120 -0.204 10.769 15.959 861 HD1 PHE 120 HD2 PHE 120 2.086 12.518 16.640 862 HD2 PHE 120 HD1 PHE 120 -0.049 12.025 12.990 863 HE1 PHE 120 HE2 PHE 120 2.679 14.815 15.986 864 HE2 PHE 120 HE1 PHE 120 0.541 14.321 12.331 865 HZ PHE 120 HZ PHE 120 1.906 15.719 13.830 866 H GLN 121 H GLN 121 1.514 8.482 17.954 867 HA GLN 121 HA GLN 121 1.886 5.932 16.972 868 HB2 GLN 121 2HB GLN 121 0.229 6.934 19.279 869 HB3 GLN 121 3HB GLN 121 0.420 5.219 18.941 870 HG2 GLN 121 2HG GLN 121 2.612 7.174 19.593 871 HG3 GLN 121 3HG GLN 121 1.976 5.910 20.644 872 HE21 GLN 121 1HE2 GLN 121 1.957 3.688 19.398 873 HE22 GLN 121 2HE2 GLN 121 3.474 3.272 18.684 874 H GLY 122 H GLY 122 0.893 5.235 15.165 875 HA2 GLY 122 2HA GLY 122 -2.023 5.585 14.953 876 HA3 GLY 122 3HA GLY 122 -0.938 5.249 13.611 877 H ILE 123 H ILE 123 -3.272 3.932 15.481 878 HA ILE 123 HA ILE 123 -2.313 1.208 14.921 879 HB ILE 123 HB ILE 123 -3.891 1.952 17.383 880 HG12 ILE 123 2HG1 ILE 123 -1.354 0.993 18.117 881 HG13 ILE 123 3HG1 ILE 123 -1.060 2.173 16.844 882 HG21 ILE 123 1HG2 ILE 123 -2.562 -0.600 16.486 883 HG22 ILE 123 2HG2 ILE 123 -3.223 -0.337 18.099 884 HG23 ILE 123 3HG2 ILE 123 -4.289 -0.309 16.695 885 HD11 ILE 123 3HD1 ILE 123 -1.152 2.900 19.344 886 HD12 ILE 123 1HD1 ILE 123 -1.864 3.916 18.090 887 HD13 ILE 123 2HD1 ILE 123 -2.895 2.879 19.077 888 H GLN 124 H GLN 124 -3.790 -0.177 14.072 889 HA GLN 124 HA GLN 124 -6.454 0.937 13.520 890 HB2 GLN 124 2HB GLN 124 -6.537 -0.590 11.613 891 HB3 GLN 124 3HB GLN 124 -5.114 0.440 11.532 892 HG2 GLN 124 2HG GLN 124 -4.067 -1.486 11.073 893 HG3 GLN 124 3HG GLN 124 -4.084 -1.680 12.825 894 HE21 GLN 124 1HE2 GLN 124 -4.386 -3.769 13.177 895 HE22 GLN 124 2HE2 GLN 124 -5.637 -4.738 12.484 896 H ALA 125 H ALA 125 -8.154 0.066 14.493 897 HA ALA 125 HA ALA 125 -8.170 -2.769 15.166 898 HB1 ALA 125 1HB ALA 125 -7.345 -2.079 17.215 899 HB2 ALA 125 2HB ALA 125 -8.247 -0.563 17.184 900 HB3 ALA 125 3HB ALA 125 -9.087 -2.083 17.490 901 H ASN 126 H ASN 126 -10.103 -3.642 14.771 902 HA ASN 126 HA ASN 126 -12.335 -1.842 14.186 903 HB2 ASN 126 2HB ASN 126 -11.687 -3.474 12.452 904 HB3 ASN 126 3HB ASN 126 -12.010 -4.789 13.578 905 HD21 ASN 126 1HD2 ASN 126 -13.624 -1.887 12.322 906 HD22 ASN 126 2HD2 ASN 126 -15.162 -2.639 12.088 907 H ASP 127 H ASP 127 -14.487 -2.382 14.921 908 HA ASP 127 HA ASP 127 -16.026 -2.898 16.515 909 HB2 ASP 127 2HB ASP 127 -14.778 -5.250 16.014 910 HB3 ASP 127 3HB ASP 127 -14.437 -5.074 17.734 911 H ALA 128 H ALA 128 -15.755 -3.852 19.123 912 HA ALA 128 HA ALA 128 -15.160 -1.568 20.560 913 HB1 ALA 128 1HB ALA 128 -15.868 -2.743 22.328 914 HB2 ALA 128 2HB ALA 128 -16.207 -4.021 21.160 915 HB3 ALA 128 3HB ALA 128 -14.692 -4.030 22.064 916 H SER 129 H SER 129 -13.028 -4.043 19.397 917 HA SER 129 HA SER 129 -10.856 -3.703 21.127 918 HB2 SER 129 2HB SER 129 -10.774 -4.402 18.182 919 HB3 SER 129 3HB SER 129 -9.500 -4.712 19.361 920 HG SER 129 HG SER 129 -10.501 -6.544 19.610 921 H GLY 130 H GLY 130 -12.077 -1.690 18.604 922 HA2 GLY 130 2HA GLY 130 -9.611 -0.081 18.617 923 HA3 GLY 130 3HA GLY 130 -10.864 -0.010 17.386 924 H LEU 131 H LEU 131 -11.629 -0.070 20.790 925 HA LEU 131 HA LEU 131 -12.088 2.818 20.803 926 HB2 LEU 131 2HB LEU 131 -14.192 0.801 21.567 927 HB3 LEU 131 3HB LEU 131 -14.341 2.553 21.675 928 HG LEU 131 HG LEU 131 -14.082 0.963 19.122 929 HD11 LEU 131 1HD1 LEU 131 -16.500 2.538 19.689 930 HD12 LEU 131 2HD1 LEU 131 -16.280 1.099 20.684 931 HD13 LEU 131 3HD1 LEU 131 -16.321 0.957 18.927 932 HD21 LEU 131 3HD2 LEU 131 -13.489 3.655 19.638 933 HD22 LEU 131 1HD2 LEU 131 -15.060 3.646 18.835 934 HD23 LEU 131 2HD2 LEU 131 -13.673 2.873 18.067 935 H ASP 132 H ASP 132 -10.309 0.756 22.136 936 HA ASP 132 HA ASP 132 -11.102 0.910 24.920 937 HB2 ASP 132 2HB ASP 132 -8.721 -0.301 23.515 938 HB3 ASP 132 3HB ASP 132 -8.872 -0.263 25.270 939 H PHE 133 H PHE 133 -11.003 3.022 25.563 940 HA PHE 133 HA PHE 133 -9.103 4.919 24.881 941 HB2 PHE 133 2HB PHE 133 -11.102 4.596 27.008 942 HB3 PHE 133 3HB PHE 133 -9.744 5.624 27.453 943 HD1 PHE 133 HD1 PHE 133 -9.065 7.279 25.394 944 HD2 PHE 133 HD2 PHE 133 -12.933 5.696 26.204 945 HE1 PHE 133 HE1 PHE 133 -10.085 9.156 24.174 946 HE2 PHE 133 HE2 PHE 133 -13.959 7.570 24.984 947 HZ PHE 133 HZ PHE 133 -12.535 9.303 23.966 948 H GLU 134 H GLU 134 -9.024 2.475 27.417 949 HA GLU 134 HA GLU 134 -6.786 3.354 28.825 950 HB2 GLU 134 2HB GLU 134 -8.481 1.222 29.021 951 HB3 GLU 134 3HB GLU 134 -6.996 0.437 28.502 952 HG2 GLU 134 2HG GLU 134 -5.821 1.560 30.384 953 HG3 GLU 134 3HG GLU 134 -7.384 2.156 30.939 954 H GLU 135 H GLU 135 -7.040 1.598 25.808 955 HA GLU 135 HA GLU 135 -4.331 0.783 25.640 956 HB2 GLU 135 2HB GLU 135 -6.692 0.618 24.013 957 HB3 GLU 135 3HB GLU 135 -5.337 1.143 23.024 958 HG2 GLU 135 2HG GLU 135 -4.935 -1.165 24.848 959 HG3 GLU 135 3HG GLU 135 -5.888 -1.404 23.384 960 H ILE 136 H ILE 136 -6.082 3.620 24.463 961 HA ILE 136 HA ILE 136 -3.918 4.750 23.030 962 HB ILE 136 HB ILE 136 -6.323 6.118 24.242 963 HG12 ILE 136 2HG1 ILE 136 -5.878 5.284 21.374 964 HG13 ILE 136 3HG1 ILE 136 -6.731 4.280 22.542 965 HG21 ILE 136 1HG2 ILE 136 -5.171 7.978 23.755 966 HG22 ILE 136 2HG2 ILE 136 -4.021 7.115 22.736 967 HG23 ILE 136 3HG2 ILE 136 -5.583 7.604 22.082 968 HD11 ILE 136 3HD1 ILE 136 -7.538 7.060 21.721 969 HD12 ILE 136 1HD1 ILE 136 -8.252 5.562 21.123 970 HD13 ILE 136 2HD1 ILE 136 -8.412 5.998 22.825 971 H SER 137 H SER 137 -5.184 5.338 26.298 972 HA SER 137 HA SER 137 -3.360 7.358 27.000 973 HB2 SER 137 2HB SER 137 -4.158 7.126 29.206 974 HB3 SER 137 3HB SER 137 -5.523 6.640 28.201 975 HG SER 137 HG SER 137 -5.463 4.878 29.339 976 H ARG 138 H ARG 138 -3.210 3.845 27.293 977 HA ARG 138 HA ARG 138 -0.804 3.771 28.797 978 HB2 ARG 138 2HB ARG 138 -2.429 1.893 28.661 979 HB3 ARG 138 3HB ARG 138 -1.952 1.640 26.987 980 HG2 ARG 138 2HG ARG 138 0.203 1.637 29.014 981 HG3 ARG 138 3HG ARG 138 -0.908 0.266 29.008 982 HD2 ARG 138 2HD ARG 138 -0.454 0.223 26.460 983 HD3 ARG 138 3HD ARG 138 0.958 1.200 26.860 984 HE ARG 138 HE ARG 138 1.050 -0.961 28.557 985 HH11 ARG 138 1HH1 ARG 138 1.016 -0.464 25.112 986 HH12 ARG 138 2HH1 ARG 138 1.940 -1.888 24.766 987 HH21 ARG 138 1HH2 ARG 138 2.267 -2.838 28.115 988 HH22 ARG 138 2HH2 ARG 138 2.650 -3.239 26.475 989 H LYS 139 H LYS 139 -1.533 3.742 25.354 990 HA LYS 139 HA LYS 139 1.064 3.103 24.443 991 HB2 LYS 139 2HB LYS 139 -1.466 3.878 23.289 992 HB3 LYS 139 3HB LYS 139 -0.148 4.735 22.500 993 HG2 LYS 139 2HG LYS 139 0.095 2.927 21.236 994 HG3 LYS 139 3HG LYS 139 0.779 2.143 22.662 995 HD2 LYS 139 2HD LYS 139 -1.191 1.035 23.157 996 HD3 LYS 139 3HD LYS 139 -2.185 2.197 22.276 997 HE2 LYS 139 2HE LYS 139 -2.215 0.720 20.607 998 HE3 LYS 139 3HE LYS 139 -0.524 1.135 20.335 999 HZ1 LYS 139 3HZ LYS 139 -1.588 -1.115 21.946 1000 HZ2 LYS 139 1HZ LYS 139 0.037 -0.643 21.971 1001 HZ3 LYS 139 2HZ LYS 139 -0.658 -1.206 20.536 1002 H VAL 140 H VAL 140 -0.592 6.222 24.866 1003 HA VAL 140 HA VAL 140 1.608 7.805 24.037 1004 HB VAL 140 HB VAL 140 -0.659 8.699 24.030 1005 HG11 VAL 140 1HG1 VAL 140 -1.852 9.227 26.056 1006 HG12 VAL 140 2HG1 VAL 140 -1.440 7.511 26.060 1007 HG13 VAL 140 3HG1 VAL 140 -0.510 8.646 27.041 1008 HG21 VAL 140 3HG2 VAL 140 0.844 10.309 26.064 1009 HG22 VAL 140 1HG2 VAL 140 1.443 10.135 24.415 1010 HG23 VAL 140 2HG2 VAL 140 -0.134 10.867 24.707 1011 H LYS 141 H LYS 141 0.524 6.613 27.171 1012 HA LYS 141 HA LYS 141 2.346 8.123 28.734 1013 HB2 LYS 141 2HB LYS 141 0.351 7.147 29.724 1014 HB3 LYS 141 3HB LYS 141 0.914 5.528 29.331 1015 HG2 LYS 141 2HG LYS 141 2.819 5.840 30.850 1016 HG3 LYS 141 3HG LYS 141 2.201 7.439 31.271 1017 HD2 LYS 141 2HD LYS 141 1.214 6.309 32.959 1018 HD3 LYS 141 3HD LYS 141 0.003 5.948 31.726 1019 HE2 LYS 141 2HE LYS 141 0.477 3.868 32.666 1020 HE3 LYS 141 3HE LYS 141 1.449 3.894 31.196 1021 HZ1 LYS 141 3HZ LYS 141 2.416 3.246 33.584 1022 HZ2 LYS 141 1HZ LYS 141 2.747 4.905 33.587 1023 HZ3 LYS 141 2HZ LYS 141 3.360 3.923 32.355 1024 H SER 142 H SER 142 2.527 5.016 27.119 1025 HA SER 142 HA SER 142 4.942 4.166 28.371 1026 HB2 SER 142 2HB SER 142 3.183 3.205 26.215 1027 HB3 SER 142 3HB SER 142 4.884 2.788 26.009 1028 HG SER 142 HG SER 142 4.852 1.692 27.911 1029 H ASN 143 H ASN 143 4.167 5.999 25.482 1030 HA ASN 143 HA ASN 143 5.450 7.106 23.961 1031 HB2 ASN 143 2HB ASN 143 6.138 8.064 26.327 1032 HB3 ASN 143 3HB ASN 143 7.679 7.302 25.943 1033 HD21 ASN 143 1HD2 ASN 143 5.231 9.374 24.428 1034 HD22 ASN 143 2HD2 ASN 143 6.359 10.417 23.637 1035 H ARG 144 H ARG 144 5.615 4.348 23.733 1036 HA ARG 144 HA ARG 144 8.210 3.291 23.680 1037 HB2 ARG 144 2HB ARG 144 5.590 2.470 22.881 1038 HB3 ARG 144 3HB ARG 144 6.708 2.126 21.568 1039 HG2 ARG 144 2HG ARG 144 8.063 0.764 22.969 1040 HG3 ARG 144 3HG ARG 144 7.184 1.275 24.412 1041 HD2 ARG 144 2HD ARG 144 5.444 0.148 22.372 1042 HD3 ARG 144 3HD ARG 144 6.685 -0.984 22.906 1043 HE ARG 144 HE ARG 144 4.401 -0.156 24.371 1044 HH11 ARG 144 1HH1 ARG 144 7.754 -1.018 24.736 1045 HH12 ARG 144 2HH1 ARG 144 7.570 -1.567 26.369 1046 HH21 ARG 144 1HH2 ARG 144 4.146 -0.876 26.521 1047 HH22 ARG 144 2HH2 ARG 144 5.517 -1.487 27.383 Start of MODEL 12 1 H MET 9 H MET 9 -11.100 -0.607 -7.393 2 HA MET 9 HA MET 9 -10.289 0.248 -9.536 3 HB2 MET 9 2HB MET 9 -10.200 2.652 -7.872 4 HB3 MET 9 3HB MET 9 -8.762 2.442 -8.862 5 HG2 MET 9 2HG MET 9 -10.020 2.453 -10.861 6 HG3 MET 9 3HG MET 9 -11.542 2.303 -9.984 7 HE1 MET 9 3HE MET 9 -12.104 5.197 -11.727 8 HE2 MET 9 1HE MET 9 -12.760 3.800 -10.873 9 HE3 MET 9 2HE MET 9 -12.901 5.411 -10.168 10 H ALA 10 H ALA 10 -8.682 0.662 -6.402 11 HA ALA 10 HA ALA 10 -6.649 -0.008 -5.622 12 HB1 ALA 10 1HB ALA 10 -5.859 -2.236 -6.495 13 HB2 ALA 10 2HB ALA 10 -7.499 -2.208 -5.846 14 HB3 ALA 10 3HB ALA 10 -7.241 -2.205 -7.590 15 H MET 11 H MET 11 -6.590 1.967 -7.664 16 HA MET 11 HA MET 11 -3.841 1.684 -8.488 17 HB2 MET 11 2HB MET 11 -4.309 2.147 -10.879 18 HB3 MET 11 3HB MET 11 -4.905 0.578 -10.354 19 HG2 MET 11 2HG MET 11 -7.147 1.358 -10.294 20 HG3 MET 11 3HG MET 11 -6.635 3.028 -10.525 21 HE1 MET 11 3HE MET 11 -8.203 0.226 -13.297 22 HE2 MET 11 1HE MET 11 -6.627 -0.530 -13.061 23 HE3 MET 11 2HE MET 11 -7.634 -0.137 -11.667 24 H SER 12 H SER 12 -4.744 3.426 -6.679 25 HA SER 12 HA SER 12 -4.538 5.992 -8.087 26 HB2 SER 12 2HB SER 12 -6.665 5.151 -6.157 27 HB3 SER 12 3HB SER 12 -6.135 6.833 -6.164 28 HG SER 12 HG SER 12 -6.479 6.478 -8.611 29 H GLY 13 H GLY 13 -4.558 4.467 -4.863 30 HA2 GLY 13 2HA GLY 13 -2.631 4.493 -3.443 31 HA3 GLY 13 3HA GLY 13 -2.105 5.967 -4.243 32 H VAL 14 H VAL 14 -5.008 6.913 -4.024 33 HA VAL 14 HA VAL 14 -6.216 8.262 -2.644 34 HB VAL 14 HB VAL 14 -5.154 6.316 -0.603 35 HG11 VAL 14 1HG1 VAL 14 -7.053 7.300 0.824 36 HG12 VAL 14 2HG1 VAL 14 -5.537 8.198 0.719 37 HG13 VAL 14 3HG1 VAL 14 -6.931 8.703 -0.238 38 HG21 VAL 14 3HG2 VAL 14 -6.803 5.585 -2.375 39 HG22 VAL 14 1HG2 VAL 14 -7.300 5.321 -0.703 40 HG23 VAL 14 2HG2 VAL 14 -7.965 6.675 -1.618 41 H SER 15 H SER 15 -5.343 10.252 -2.737 42 HA SER 15 HA SER 15 -2.947 10.829 -1.150 43 HB2 SER 15 2HB SER 15 -3.722 11.612 -3.714 44 HB3 SER 15 3HB SER 15 -3.956 13.054 -2.726 45 HG SER 15 HG SER 15 -1.854 13.157 -2.341 46 H VAL 16 H VAL 16 -2.945 12.213 0.546 47 HA VAL 16 HA VAL 16 -5.439 12.816 1.800 48 HB VAL 16 HB VAL 16 -3.525 12.277 3.175 49 HG11 VAL 16 1HG1 VAL 16 -2.116 13.894 1.387 50 HG12 VAL 16 2HG1 VAL 16 -2.031 14.729 2.939 51 HG13 VAL 16 3HG1 VAL 16 -1.477 13.060 2.803 52 HG21 VAL 16 3HG2 VAL 16 -5.227 13.787 4.098 53 HG22 VAL 16 1HG2 VAL 16 -3.629 14.110 4.770 54 HG23 VAL 16 2HG2 VAL 16 -4.296 15.173 3.531 55 H ALA 17 H ALA 17 -6.641 14.596 1.657 56 HA ALA 17 HA ALA 17 -6.015 16.663 -0.178 57 HB1 ALA 17 1HB ALA 17 -8.059 17.770 0.888 58 HB2 ALA 17 2HB ALA 17 -8.295 16.214 0.090 59 HB3 ALA 17 3HB ALA 17 -8.197 16.298 1.849 60 H ASP 18 H ASP 18 -5.582 18.859 0.199 61 HA ASP 18 HA ASP 18 -3.656 19.455 2.094 62 HB2 ASP 18 2HB ASP 18 -5.390 21.056 0.291 63 HB3 ASP 18 3HB ASP 18 -4.607 21.920 1.612 64 H GLU 19 H GLU 19 -7.152 19.809 2.275 65 HA GLU 19 HA GLU 19 -7.340 21.370 4.575 66 HB2 GLU 19 2HB GLU 19 -9.577 20.208 4.878 67 HB3 GLU 19 3HB GLU 19 -9.321 21.011 3.335 68 HG2 GLU 19 2HG GLU 19 -9.714 19.130 2.248 69 HG3 GLU 19 3HG GLU 19 -8.430 18.310 3.134 70 H CYS 20 H CYS 20 -6.847 17.908 4.194 71 HA CYS 20 HA CYS 20 -7.205 17.232 6.926 72 HB2 CYS 20 2HB CYS 20 -6.071 15.874 4.523 73 HB3 CYS 20 3HB CYS 20 -5.692 15.209 6.107 74 HG CYS 20 HG CYS 20 -8.542 15.087 4.370 75 H VAL 21 H VAL 21 -4.336 17.926 4.959 76 HA VAL 21 HA VAL 21 -2.394 17.422 6.906 77 HB VAL 21 HB VAL 21 -2.205 19.537 4.762 78 HG11 VAL 21 1HG1 VAL 21 -0.297 19.809 5.994 79 HG12 VAL 21 2HG1 VAL 21 -0.259 18.123 6.514 80 HG13 VAL 21 3HG1 VAL 21 0.237 18.554 4.877 81 HG21 VAL 21 3HG2 VAL 21 -1.830 16.555 4.595 82 HG22 VAL 21 1HG2 VAL 21 -2.921 17.568 3.649 83 HG23 VAL 21 2HG2 VAL 21 -1.178 17.679 3.402 84 H THR 22 H THR 22 -3.925 20.510 6.003 85 HA THR 22 HA THR 22 -2.636 22.076 7.948 86 HB THR 22 HB THR 22 -5.362 22.557 6.730 87 HG1 THR 22 HG1 THR 22 -2.878 23.612 5.843 88 HG21 THR 22 3HG2 THR 22 -5.195 24.103 8.452 89 HG22 THR 22 1HG2 THR 22 -4.516 24.992 7.089 90 HG23 THR 22 2HG2 THR 22 -3.447 24.256 8.283 91 H ALA 23 H ALA 23 -5.724 20.344 8.002 92 HA ALA 23 HA ALA 23 -6.684 21.266 10.454 93 HB1 ALA 23 1HB ALA 23 -7.973 19.118 10.505 94 HB2 ALA 23 2HB ALA 23 -8.139 20.048 9.015 95 HB3 ALA 23 3HB ALA 23 -7.091 18.629 9.057 96 H LEU 24 H LEU 24 -4.544 18.539 9.719 97 HA LEU 24 HA LEU 24 -4.371 17.597 12.391 98 HB2 LEU 24 2HB LEU 24 -2.662 17.189 9.953 99 HB3 LEU 24 3HB LEU 24 -2.283 16.445 11.505 100 HG LEU 24 HG LEU 24 -4.991 15.997 10.355 101 HD11 LEU 24 1HD1 LEU 24 -3.851 13.924 9.249 102 HD12 LEU 24 2HD1 LEU 24 -2.433 14.971 9.216 103 HD13 LEU 24 3HD1 LEU 24 -3.914 15.466 8.397 104 HD21 LEU 24 3HD2 LEU 24 -4.540 15.094 12.523 105 HD22 LEU 24 1HD2 LEU 24 -3.032 14.370 11.966 106 HD23 LEU 24 2HD2 LEU 24 -4.576 13.756 11.373 107 H ASN 25 H ASN 25 -2.369 19.762 10.436 108 HA ASN 25 HA ASN 25 -0.239 20.090 12.203 109 HB2 ASN 25 2HB ASN 25 -1.085 21.239 9.769 110 HB3 ASN 25 3HB ASN 25 -0.836 22.580 10.884 111 HD21 ASN 25 1HD2 ASN 25 0.626 20.277 8.879 112 HD22 ASN 25 2HD2 ASN 25 2.273 20.628 9.269 113 H ASP 26 H ASP 26 -3.276 21.910 11.955 114 HA ASP 26 HA ASP 26 -2.663 23.670 14.112 115 HB2 ASP 26 2HB ASP 26 -5.464 23.056 13.219 116 HB3 ASP 26 3HB ASP 26 -4.794 24.581 13.791 117 H LEU 27 H LEU 27 -4.399 20.623 13.820 118 HA LEU 27 HA LEU 27 -5.603 20.560 16.341 119 HB2 LEU 27 2HB LEU 27 -5.942 18.996 14.363 120 HB3 LEU 27 3HB LEU 27 -4.505 18.145 14.928 121 HG LEU 27 HG LEU 27 -5.982 18.152 17.189 122 HD11 LEU 27 1HD1 LEU 27 -8.106 18.667 16.820 123 HD12 LEU 27 2HD1 LEU 27 -8.220 17.283 15.733 124 HD13 LEU 27 3HD1 LEU 27 -7.799 18.872 15.095 125 HD21 LEU 27 3HD2 LEU 27 -4.884 16.279 15.766 126 HD22 LEU 27 1HD2 LEU 27 -6.511 16.059 15.120 127 HD23 LEU 27 2HD2 LEU 27 -6.217 15.877 16.850 128 H ARG 28 H ARG 28 -2.350 19.701 15.310 129 HA ARG 28 HA ARG 28 -1.514 18.421 17.670 130 HB2 ARG 28 2HB ARG 28 0.571 18.374 16.726 131 HB3 ARG 28 3HB ARG 28 -0.386 18.695 15.287 132 HG2 ARG 28 2HG ARG 28 0.065 21.201 15.956 133 HG3 ARG 28 3HG ARG 28 1.448 20.485 16.786 134 HD2 ARG 28 2HD ARG 28 0.933 19.646 13.986 135 HD3 ARG 28 3HD ARG 28 1.559 21.274 14.248 136 HE ARG 28 HE ARG 28 2.999 18.829 14.494 137 HH11 ARG 28 1HH1 ARG 28 2.731 22.052 15.783 138 HH12 ARG 28 2HH1 ARG 28 4.383 22.123 16.300 139 HH21 ARG 28 1HH2 ARG 28 5.176 18.911 15.169 140 HH22 ARG 28 2HH2 ARG 28 5.773 20.336 15.949 141 H HIS 29 H HIS 29 -1.979 21.754 16.888 142 HA HIS 29 HA HIS 29 -0.538 22.605 19.297 143 HB2 HIS 29 2HB HIS 29 -0.181 23.718 17.012 144 HB3 HIS 29 3HB HIS 29 -1.773 24.433 17.245 145 HD1 HIS 29 HD1 HIS 29 1.023 24.051 19.789 146 HD2 HIS 29 HD2 HIS 29 -1.176 27.006 17.867 147 HE1 HIS 29 HE1 HIS 29 1.741 26.218 20.845 148 H LYS 30 H LYS 30 -3.267 21.283 19.081 149 HA LYS 30 HA LYS 30 -5.261 21.385 20.171 150 HB2 LYS 30 2HB LYS 30 -4.134 23.747 21.673 151 HB3 LYS 30 3HB LYS 30 -5.399 22.645 22.200 152 HG2 LYS 30 2HG LYS 30 -3.818 20.850 22.422 153 HG3 LYS 30 3HG LYS 30 -2.533 21.848 21.736 154 HD2 LYS 30 2HD LYS 30 -3.784 23.177 23.969 155 HD3 LYS 30 3HD LYS 30 -3.212 21.573 24.435 156 HE2 LYS 30 2HE LYS 30 -1.009 22.085 23.987 157 HE3 LYS 30 3HE LYS 30 -1.429 23.357 22.840 158 HZ1 LYS 30 3HZ LYS 30 -0.566 23.867 25.277 159 HZ2 LYS 30 1HZ LYS 30 -2.221 23.770 25.615 160 HZ3 LYS 30 2HZ LYS 30 -1.654 24.883 24.474 161 H LYS 31 H LYS 31 -5.255 22.567 17.724 162 HA LYS 31 HA LYS 31 -6.274 25.234 17.768 163 HB2 LYS 31 2HB LYS 31 -5.174 24.461 15.779 164 HB3 LYS 31 3HB LYS 31 -6.270 23.093 15.639 165 HG2 LYS 31 2HG LYS 31 -7.692 25.615 15.667 166 HG3 LYS 31 3HG LYS 31 -6.501 25.534 14.366 167 HD2 LYS 31 2HD LYS 31 -7.560 23.125 14.050 168 HD3 LYS 31 3HD LYS 31 -8.946 23.901 14.819 169 HE2 LYS 31 2HE LYS 31 -8.418 25.785 13.041 170 HE3 LYS 31 3HE LYS 31 -7.681 24.436 12.179 171 HZ1 LYS 31 3HZ LYS 31 -10.140 23.541 13.078 172 HZ2 LYS 31 1HZ LYS 31 -9.698 23.897 11.484 173 HZ3 LYS 31 2HZ LYS 31 -10.418 25.086 12.447 174 H SER 32 H SER 32 -7.717 22.019 17.657 175 HA SER 32 HA SER 32 -10.304 23.229 18.325 176 HB2 SER 32 2HB SER 32 -9.656 21.787 15.882 177 HB3 SER 32 3HB SER 32 -10.972 21.016 16.767 178 HG SER 32 HG SER 32 -11.712 22.642 15.320 179 H ARG 33 H ARG 33 -9.430 19.882 17.567 180 HA ARG 33 HA ARG 33 -9.007 18.953 20.159 181 HB2 ARG 33 2HB ARG 33 -11.641 19.695 19.889 182 HB3 ARG 33 3HB ARG 33 -11.697 17.975 19.528 183 HG2 ARG 33 2HG ARG 33 -12.109 18.307 21.866 184 HG3 ARG 33 3HG ARG 33 -10.539 17.526 21.663 185 HD2 ARG 33 2HD ARG 33 -9.406 19.636 21.999 186 HD3 ARG 33 3HD ARG 33 -10.949 20.485 22.076 187 HE ARG 33 HE ARG 33 -11.095 18.613 24.059 188 HH11 ARG 33 1HH1 ARG 33 -8.892 21.185 23.250 189 HH12 ARG 33 2HH1 ARG 33 -8.442 21.493 24.895 190 HH21 ARG 33 1HH2 ARG 33 -10.511 19.009 26.228 191 HH22 ARG 33 2HH2 ARG 33 -9.363 20.254 26.588 192 H TYR 34 H TYR 34 -11.130 17.782 17.541 193 HA TYR 34 HA TYR 34 -9.126 15.776 16.839 194 HB2 TYR 34 2HB TYR 34 -11.345 14.223 16.724 195 HB3 TYR 34 3HB TYR 34 -10.241 14.255 18.095 196 HD1 TYR 34 HD2 TYR 34 -13.115 16.328 16.882 197 HD2 TYR 34 HD1 TYR 34 -11.281 14.303 20.143 198 HE1 TYR 34 HE2 TYR 34 -14.964 17.024 18.346 199 HE2 TYR 34 HE1 TYR 34 -13.126 14.993 21.617 200 HH TYR 34 HH TYR 34 -14.984 16.202 21.799 201 H VAL 35 H VAL 35 -9.232 15.068 14.724 202 HA VAL 35 HA VAL 35 -11.345 16.233 13.039 203 HB VAL 35 HB VAL 35 -9.612 16.597 11.265 204 HG11 VAL 35 1HG1 VAL 35 -10.373 18.214 13.371 205 HG12 VAL 35 2HG1 VAL 35 -8.615 18.361 13.345 206 HG13 VAL 35 3HG1 VAL 35 -9.554 18.734 11.899 207 HG21 VAL 35 3HG2 VAL 35 -7.965 15.282 13.178 208 HG22 VAL 35 1HG2 VAL 35 -7.550 15.828 11.553 209 HG23 VAL 35 2HG2 VAL 35 -7.339 16.912 12.928 210 H ILE 36 H ILE 36 -12.415 14.641 12.087 211 HA ILE 36 HA ILE 36 -11.003 12.137 11.478 212 HB ILE 36 HB ILE 36 -13.988 12.572 11.512 213 HG12 ILE 36 2HG1 ILE 36 -12.231 11.439 13.700 214 HG13 ILE 36 3HG1 ILE 36 -12.992 13.025 13.735 215 HG21 ILE 36 1HG2 ILE 36 -12.381 10.462 10.588 216 HG22 ILE 36 2HG2 ILE 36 -13.106 9.911 12.097 217 HG23 ILE 36 3HG2 ILE 36 -14.133 10.481 10.782 218 HD11 ILE 36 3HD1 ILE 36 -14.142 11.215 15.039 219 HD12 ILE 36 1HD1 ILE 36 -15.150 12.086 13.884 220 HD13 ILE 36 2HD1 ILE 36 -14.552 10.474 13.493 221 H MET 37 H MET 37 -10.846 11.369 9.436 222 HA MET 37 HA MET 37 -12.297 12.763 7.300 223 HB2 MET 37 2HB MET 37 -10.279 12.859 5.924 224 HB3 MET 37 3HB MET 37 -10.059 13.758 7.420 225 HG2 MET 37 2HG MET 37 -9.192 10.933 7.414 226 HG3 MET 37 3HG MET 37 -8.244 12.069 6.457 227 HE1 MET 37 3HE MET 37 -5.944 11.497 8.979 228 HE2 MET 37 1HE MET 37 -6.316 11.924 7.309 229 HE3 MET 37 2HE MET 37 -5.817 13.174 8.447 230 H HIS 38 H HIS 38 -12.472 11.551 5.319 231 HA HIS 38 HA HIS 38 -11.937 8.673 5.606 232 HB2 HIS 38 2HB HIS 38 -14.101 8.079 4.849 233 HB3 HIS 38 3HB HIS 38 -14.358 9.314 6.078 234 HD1 HIS 38 HD1 HIS 38 -14.210 11.886 4.663 235 HD2 HIS 38 HD2 HIS 38 -15.874 8.526 2.873 236 HE1 HIS 38 HE1 HIS 38 -15.714 12.765 2.849 237 H ILE 39 H ILE 39 -12.056 7.504 3.504 238 HA ILE 39 HA ILE 39 -10.655 9.045 1.483 239 HB ILE 39 HB ILE 39 -11.352 6.110 1.413 240 HG12 ILE 39 2HG1 ILE 39 -8.870 7.471 2.483 241 HG13 ILE 39 3HG1 ILE 39 -10.068 6.604 3.437 242 HG21 ILE 39 1HG2 ILE 39 -9.623 5.922 -0.225 243 HG22 ILE 39 2HG2 ILE 39 -10.700 7.225 -0.723 244 HG23 ILE 39 3HG2 ILE 39 -9.142 7.601 0.012 245 HD11 ILE 39 3HD1 ILE 39 -7.921 5.569 1.684 246 HD12 ILE 39 1HD1 ILE 39 -8.497 4.984 3.245 247 HD13 ILE 39 2HD1 ILE 39 -9.420 4.646 1.780 248 H VAL 40 H VAL 40 -11.511 9.783 -0.352 249 HA VAL 40 HA VAL 40 -14.227 8.889 -1.069 250 HB VAL 40 HB VAL 40 -12.928 11.569 -1.577 251 HG11 VAL 40 1HG1 VAL 40 -15.177 10.240 -2.837 252 HG12 VAL 40 2HG1 VAL 40 -15.635 11.780 -2.108 253 HG13 VAL 40 3HG1 VAL 40 -14.335 11.719 -3.299 254 HG21 VAL 40 3HG2 VAL 40 -14.590 12.449 -0.048 255 HG22 VAL 40 1HG2 VAL 40 -15.275 10.838 0.172 256 HG23 VAL 40 2HG2 VAL 40 -13.647 11.191 0.752 257 H ASP 41 H ASP 41 -14.503 7.950 -2.986 258 HA ASP 41 HA ASP 41 -14.109 7.152 -5.080 259 HB2 ASP 41 2HB ASP 41 -13.148 9.880 -5.107 260 HB3 ASP 41 3HB ASP 41 -12.192 8.872 -6.190 261 H GLN 42 H GLN 42 -12.175 6.751 -2.703 262 HA GLN 42 HA GLN 42 -10.202 5.691 -2.260 263 HB2 GLN 42 2HB GLN 42 -10.722 4.337 -4.909 264 HB3 GLN 42 3HB GLN 42 -9.797 3.702 -3.555 265 HG2 GLN 42 2HG GLN 42 -11.754 2.581 -3.268 266 HG3 GLN 42 3HG GLN 42 -12.066 4.004 -2.276 267 HE21 GLN 42 1HE2 GLN 42 -12.632 2.548 -5.421 268 HE22 GLN 42 2HE2 GLN 42 -14.090 3.410 -5.765 269 H LYS 43 H LYS 43 -9.975 8.197 -3.679 270 HA LYS 43 HA LYS 43 -7.282 7.821 -4.735 271 HB2 LYS 43 2HB LYS 43 -8.640 7.771 -6.739 272 HB3 LYS 43 3HB LYS 43 -9.493 9.227 -6.242 273 HG2 LYS 43 2HG LYS 43 -6.641 9.665 -6.340 274 HG3 LYS 43 3HG LYS 43 -7.262 9.073 -7.882 275 HD2 LYS 43 2HD LYS 43 -9.113 10.862 -7.525 276 HD3 LYS 43 3HD LYS 43 -7.964 11.569 -6.387 277 HE2 LYS 43 2HE LYS 43 -6.757 10.834 -8.938 278 HE3 LYS 43 3HE LYS 43 -8.045 12.027 -9.099 279 HZ1 LYS 43 3HZ LYS 43 -6.913 13.371 -7.404 280 HZ2 LYS 43 1HZ LYS 43 -5.949 13.126 -8.773 281 HZ3 LYS 43 2HZ LYS 43 -5.649 12.248 -7.359 282 H SER 44 H SER 44 -9.838 10.062 -3.767 283 HA SER 44 HA SER 44 -7.748 11.877 -2.757 284 HB2 SER 44 2HB SER 44 -9.666 12.454 -4.713 285 HB3 SER 44 3HB SER 44 -10.272 13.218 -3.243 286 HG SER 44 HG SER 44 -8.914 14.671 -4.210 287 H ILE 45 H ILE 45 -7.815 12.271 -0.645 288 HA ILE 45 HA ILE 45 -9.960 11.154 0.942 289 HB ILE 45 HB ILE 45 -7.522 12.678 1.865 290 HG12 ILE 45 2HG1 ILE 45 -7.958 9.690 1.675 291 HG13 ILE 45 3HG1 ILE 45 -6.962 10.634 0.573 292 HG21 ILE 45 1HG2 ILE 45 -9.331 12.607 3.506 293 HG22 ILE 45 2HG2 ILE 45 -9.394 10.851 3.363 294 HG23 ILE 45 3HG2 ILE 45 -7.957 11.630 4.024 295 HD11 ILE 45 3HD1 ILE 45 -5.246 10.267 1.913 296 HD12 ILE 45 1HD1 ILE 45 -6.046 11.243 3.145 297 HD13 ILE 45 2HD1 ILE 45 -6.288 9.496 3.108 298 H ALA 46 H ALA 46 -11.581 12.234 1.881 299 HA ALA 46 HA ALA 46 -11.475 15.179 1.886 300 HB1 ALA 46 1HB ALA 46 -13.648 15.374 1.092 301 HB2 ALA 46 2HB ALA 46 -12.987 14.056 0.122 302 HB3 ALA 46 3HB ALA 46 -14.048 13.701 1.485 303 H VAL 47 H VAL 47 -12.951 16.186 3.464 304 HA VAL 47 HA VAL 47 -12.672 14.954 6.024 305 HB VAL 47 HB VAL 47 -12.516 17.381 5.776 306 HG11 VAL 47 1HG1 VAL 47 -14.037 18.661 4.748 307 HG12 VAL 47 2HG1 VAL 47 -14.674 17.145 4.105 308 HG13 VAL 47 3HG1 VAL 47 -15.388 17.861 5.551 309 HG21 VAL 47 3HG2 VAL 47 -14.937 17.280 7.411 310 HG22 VAL 47 1HG2 VAL 47 -13.766 16.017 7.791 311 HG23 VAL 47 2HG2 VAL 47 -13.286 17.713 7.854 312 H LYS 48 H LYS 48 -14.165 13.980 7.305 313 HA LYS 48 HA LYS 48 -16.795 13.456 6.090 314 HB2 LYS 48 2HB LYS 48 -15.185 11.519 6.514 315 HB3 LYS 48 3HB LYS 48 -15.477 11.788 8.227 316 HG2 LYS 48 2HG LYS 48 -16.878 10.001 7.390 317 HG3 LYS 48 3HG LYS 48 -17.864 11.380 7.884 318 HD2 LYS 48 2HD LYS 48 -18.145 12.064 5.593 319 HD3 LYS 48 3HD LYS 48 -17.018 10.822 5.042 320 HE2 LYS 48 2HE LYS 48 -18.638 9.155 6.129 321 HE3 LYS 48 3HE LYS 48 -19.786 10.492 6.155 322 HZ1 LYS 48 3HZ LYS 48 -19.685 8.861 4.140 323 HZ2 LYS 48 1HZ LYS 48 -18.417 9.863 3.639 324 HZ3 LYS 48 2HZ LYS 48 -19.958 10.512 3.892 325 H THR 49 H THR 49 -15.272 13.693 9.308 326 HA THR 49 HA THR 49 -17.446 15.405 10.204 327 HB THR 49 HB THR 49 -17.985 14.075 12.158 328 HG1 THR 49 HG1 THR 49 -16.905 12.275 12.673 329 HG21 THR 49 3HG2 THR 49 -18.115 12.197 9.810 330 HG22 THR 49 1HG2 THR 49 -19.112 13.648 9.910 331 HG23 THR 49 2HG2 THR 49 -19.270 12.384 11.130 332 H ILE 50 H ILE 50 -16.102 17.078 10.666 333 HA ILE 50 HA ILE 50 -13.740 16.593 12.321 334 HB ILE 50 HB ILE 50 -13.604 18.047 10.271 335 HG12 ILE 50 2HG1 ILE 50 -12.926 19.545 12.801 336 HG13 ILE 50 3HG1 ILE 50 -12.035 18.121 12.277 337 HG21 ILE 50 1HG2 ILE 50 -14.524 20.226 10.259 338 HG22 ILE 50 2HG2 ILE 50 -15.834 19.140 10.722 339 HG23 ILE 50 3HG2 ILE 50 -15.015 20.106 11.949 340 HD11 ILE 50 3HD1 ILE 50 -12.385 20.410 10.402 341 HD12 ILE 50 1HD1 ILE 50 -11.177 20.497 11.684 342 HD13 ILE 50 2HD1 ILE 50 -11.098 19.206 10.484 343 H GLY 51 H GLY 51 -13.472 17.406 14.361 344 HA2 GLY 51 2HA GLY 51 -15.905 18.500 15.614 345 HA3 GLY 51 3HA GLY 51 -14.657 17.594 16.456 346 H GLU 52 H GLU 52 -15.015 19.577 17.881 347 HA GLU 52 HA GLU 52 -12.798 21.359 17.441 348 HB2 GLU 52 2HB GLU 52 -14.254 23.416 17.756 349 HB3 GLU 52 3HB GLU 52 -14.334 22.640 16.181 350 HG2 GLU 52 2HG GLU 52 -16.400 21.471 16.947 351 HG3 GLU 52 3HG GLU 52 -16.347 22.458 18.406 352 H ARG 53 H ARG 53 -15.760 20.854 19.344 353 HA ARG 53 HA ARG 53 -14.476 20.315 21.749 354 HB2 ARG 53 2HB ARG 53 -14.600 23.139 21.106 355 HB3 ARG 53 3HB ARG 53 -15.470 22.785 22.593 356 HG2 ARG 53 2HG ARG 53 -13.581 22.118 23.705 357 HG3 ARG 53 3HG ARG 53 -12.741 21.659 22.223 358 HD2 ARG 53 2HD ARG 53 -11.707 23.623 22.225 359 HD3 ARG 53 3HD ARG 53 -13.268 24.426 22.054 360 HE ARG 53 HE ARG 53 -12.935 23.806 24.746 361 HH11 ARG 53 1HH1 ARG 53 -11.448 25.817 22.324 362 HH12 ARG 53 2HH1 ARG 53 -10.912 27.012 23.459 363 HH21 ARG 53 1HH2 ARG 53 -12.235 25.372 26.249 364 HH22 ARG 53 2HH2 ARG 53 -11.359 26.757 25.691 365 H GLY 54 H GLY 54 -16.199 18.804 21.666 366 HA2 GLY 54 2HA GLY 54 -18.267 18.992 23.310 367 HA3 GLY 54 3HA GLY 54 -18.918 19.835 21.913 368 H ALA 55 H ALA 55 -17.122 17.868 20.302 369 HA ALA 55 HA ALA 55 -19.199 16.069 19.631 370 HB1 ALA 55 1HB ALA 55 -17.911 15.523 17.873 371 HB2 ALA 55 2HB ALA 55 -16.948 16.911 18.383 372 HB3 ALA 55 3HB ALA 55 -16.474 15.283 18.868 373 H ASN 56 H ASN 56 -19.853 14.836 21.359 374 HA ASN 56 HA ASN 56 -18.043 13.457 23.073 375 HB2 ASN 56 2HB ASN 56 -20.901 13.846 22.869 376 HB3 ASN 56 3HB ASN 56 -20.530 12.158 23.207 377 HD21 ASN 56 1HD2 ASN 56 -21.470 12.401 25.264 378 HD22 ASN 56 2HD2 ASN 56 -20.622 13.189 26.548 379 H PHE 57 H PHE 57 -18.534 10.961 23.372 380 HA PHE 57 HA PHE 57 -17.469 9.686 21.068 381 HB2 PHE 57 2HB PHE 57 -17.516 7.660 22.371 382 HB3 PHE 57 3HB PHE 57 -17.017 8.979 23.424 383 HD1 PHE 57 HD1 PHE 57 -19.665 6.587 22.643 384 HD2 PHE 57 HD2 PHE 57 -18.450 9.762 25.204 385 HE1 PHE 57 HE1 PHE 57 -21.465 6.002 24.216 386 HE2 PHE 57 HE2 PHE 57 -20.247 9.182 26.781 387 HZ PHE 57 HZ PHE 57 -21.757 7.300 26.288 388 H ASP 58 H ASP 58 -20.679 10.104 22.341 389 HA ASP 58 HA ASP 58 -21.992 8.030 20.975 390 HB2 ASP 58 2HB ASP 58 -22.910 10.684 22.056 391 HB3 ASP 58 3HB ASP 58 -24.016 9.612 21.202 392 H GLN 59 H GLN 59 -21.437 11.421 20.070 393 HA GLN 59 HA GLN 59 -22.740 11.202 17.550 394 HB2 GLN 59 2HB GLN 59 -20.849 13.230 18.726 395 HB3 GLN 59 3HB GLN 59 -21.464 13.371 17.085 396 HG2 GLN 59 2HG GLN 59 -23.721 12.928 18.638 397 HG3 GLN 59 3HG GLN 59 -22.727 14.027 19.593 398 HE21 GLN 59 1HE2 GLN 59 -23.897 13.557 16.281 399 HE22 GLN 59 2HE2 GLN 59 -24.154 15.233 15.950 400 H PHE 60 H PHE 60 -19.471 10.692 18.671 401 HA PHE 60 HA PHE 60 -18.172 10.721 16.169 402 HB2 PHE 60 2HB PHE 60 -16.800 10.870 18.097 403 HB3 PHE 60 3HB PHE 60 -17.505 9.421 18.805 404 HD1 PHE 60 HD2 PHE 60 -16.097 10.089 15.420 405 HD2 PHE 60 HD1 PHE 60 -15.834 7.857 19.035 406 HE1 PHE 60 HE2 PHE 60 -14.283 8.739 14.451 407 HE2 PHE 60 HE1 PHE 60 -14.019 6.504 18.072 408 HZ PHE 60 HZ PHE 60 -13.242 6.943 15.776 409 H ILE 61 H ILE 61 -19.400 8.005 18.118 410 HA ILE 61 HA ILE 61 -18.814 6.040 16.146 411 HB ILE 61 HB ILE 61 -19.033 5.447 18.509 412 HG12 ILE 61 2HG1 ILE 61 -21.306 3.912 17.484 413 HG13 ILE 61 3HG1 ILE 61 -19.970 4.018 16.343 414 HG21 ILE 61 1HG2 ILE 61 -22.001 5.822 18.264 415 HG22 ILE 61 2HG2 ILE 61 -21.040 5.551 19.717 416 HG23 ILE 61 3HG2 ILE 61 -20.945 7.096 18.872 417 HD11 ILE 61 3HD1 ILE 61 -19.189 2.237 17.434 418 HD12 ILE 61 1HD1 ILE 61 -18.669 3.405 18.648 419 HD13 ILE 61 2HD1 ILE 61 -20.193 2.540 18.851 420 H GLU 62 H GLU 62 -21.643 7.979 16.916 421 HA GLU 62 HA GLU 62 -23.510 6.594 15.328 422 HB2 GLU 62 2HB GLU 62 -23.353 9.367 16.446 423 HB3 GLU 62 3HB GLU 62 -24.614 8.974 15.286 424 HG2 GLU 62 2HG GLU 62 -24.376 7.015 17.426 425 HG3 GLU 62 3HG GLU 62 -24.760 8.637 18.000 426 H ALA 63 H ALA 63 -21.267 9.219 14.602 427 HA ALA 63 HA ALA 63 -22.232 9.620 11.936 428 HB1 ALA 63 1HB ALA 63 -20.832 11.382 11.868 429 HB2 ALA 63 2HB ALA 63 -20.751 11.129 13.612 430 HB3 ALA 63 3HB ALA 63 -19.488 10.478 12.567 431 H ILE 64 H ILE 64 -19.245 8.191 13.262 432 HA ILE 64 HA ILE 64 -18.348 7.223 10.741 433 HB ILE 64 HB ILE 64 -16.627 6.056 11.952 434 HG12 ILE 64 2HG1 ILE 64 -16.924 6.519 14.626 435 HG13 ILE 64 3HG1 ILE 64 -18.590 6.219 14.144 436 HG21 ILE 64 1HG2 ILE 64 -15.610 7.888 13.146 437 HG22 ILE 64 2HG2 ILE 64 -16.457 8.512 11.731 438 HG23 ILE 64 3HG2 ILE 64 -17.175 8.679 13.333 439 HD11 ILE 64 3HD1 ILE 64 -17.976 4.097 14.602 440 HD12 ILE 64 1HD1 ILE 64 -17.441 4.158 12.923 441 HD13 ILE 64 2HD1 ILE 64 -16.277 4.387 14.228 442 H ASP 65 H ASP 65 -18.320 5.119 9.937 443 HA ASP 65 HA ASP 65 -20.012 3.148 11.303 444 HB2 ASP 65 2HB ASP 65 -21.008 4.575 9.227 445 HB3 ASP 65 3HB ASP 65 -20.270 3.233 8.358 446 H LYS 66 H LYS 66 -18.789 1.424 11.642 447 HA LYS 66 HA LYS 66 -16.323 0.878 10.534 448 HB2 LYS 66 2HB LYS 66 -16.966 -0.270 12.515 449 HB3 LYS 66 3HB LYS 66 -18.389 -0.956 11.741 450 HG2 LYS 66 2HG LYS 66 -15.970 -1.712 10.356 451 HG3 LYS 66 3HG LYS 66 -15.914 -2.165 12.061 452 HD2 LYS 66 2HD LYS 66 -18.490 -2.738 10.839 453 HD3 LYS 66 3HD LYS 66 -17.159 -3.571 10.032 454 HE2 LYS 66 2HE LYS 66 -16.406 -4.354 12.291 455 HE3 LYS 66 3HE LYS 66 -17.897 -3.684 12.952 456 HZ1 LYS 66 3HZ LYS 66 -17.773 -5.762 10.834 457 HZ2 LYS 66 1HZ LYS 66 -19.171 -5.170 11.582 458 HZ3 LYS 66 2HZ LYS 66 -18.052 -6.072 12.473 459 H ASN 67 H ASN 67 -15.965 0.798 8.399 460 HA ASN 67 HA ASN 67 -16.692 -1.419 6.869 461 HB2 ASN 67 2HB ASN 67 -18.914 -0.674 6.674 462 HB3 ASN 67 3HB ASN 67 -18.429 1.010 6.498 463 HD21 ASN 67 1HD2 ASN 67 -17.344 -1.937 4.862 464 HD22 ASN 67 2HD2 ASN 67 -17.727 -1.398 3.266 465 H VAL 68 H VAL 68 -16.599 2.016 5.936 466 HA VAL 68 HA VAL 68 -14.531 1.476 3.996 467 HB VAL 68 HB VAL 68 -14.667 3.939 3.550 468 HG11 VAL 68 1HG1 VAL 68 -16.025 2.243 2.346 469 HG12 VAL 68 2HG1 VAL 68 -17.334 2.533 3.494 470 HG13 VAL 68 3HG1 VAL 68 -16.789 3.830 2.429 471 HG21 VAL 68 3HG2 VAL 68 -17.171 4.328 4.945 472 HG22 VAL 68 1HG2 VAL 68 -15.847 4.008 6.066 473 HG23 VAL 68 2HG2 VAL 68 -15.728 5.342 4.918 474 HA PRO 69 HA PRO 69 -10.995 2.551 6.366 475 HB2 PRO 69 2HB PRO 69 -9.433 3.724 4.480 476 HB3 PRO 69 3HB PRO 69 -9.739 1.984 4.527 477 HG2 PRO 69 2HG PRO 69 -11.029 4.088 2.834 478 HG3 PRO 69 3HG PRO 69 -10.476 2.467 2.375 479 HD2 PRO 69 2HD PRO 69 -13.078 3.034 2.869 480 HD3 PRO 69 3HD PRO 69 -12.362 1.448 3.222 481 H CYS 70 H CYS 70 -11.284 4.099 7.871 482 HA CYS 70 HA CYS 70 -11.112 6.898 6.985 483 HB2 CYS 70 2HB CYS 70 -12.915 5.816 9.161 484 HB3 CYS 70 3HB CYS 70 -12.686 7.521 8.792 485 HG CYS 70 HG CYS 70 -13.919 5.303 6.502 486 H TYR 71 H TYR 71 -10.118 8.345 8.458 487 HA TYR 71 HA TYR 71 -8.619 7.057 10.639 488 HB2 TYR 71 2HB TYR 71 -7.401 9.271 9.024 489 HB3 TYR 71 3HB TYR 71 -6.605 8.051 10.012 490 HD1 TYR 71 HD1 TYR 71 -7.523 5.533 9.064 491 HD2 TYR 71 HD2 TYR 71 -6.754 9.067 6.822 492 HE1 TYR 71 HE1 TYR 71 -7.122 4.167 7.059 493 HE2 TYR 71 HE2 TYR 71 -6.352 7.710 4.810 494 HH TYR 71 HH TYR 71 -5.585 4.768 4.700 495 H ALA 72 H ALA 72 -8.727 8.072 12.539 496 HA ALA 72 HA ALA 72 -9.789 10.823 12.577 497 HB1 ALA 72 1HB ALA 72 -10.627 10.183 14.894 498 HB2 ALA 72 2HB ALA 72 -11.460 9.465 13.515 499 HB3 ALA 72 3HB ALA 72 -10.292 8.514 14.432 500 H ALA 73 H ALA 73 -8.545 12.335 13.468 501 HA ALA 73 HA ALA 73 -6.189 11.467 15.001 502 HB1 ALA 73 1HB ALA 73 -4.981 13.140 14.068 503 HB2 ALA 73 2HB ALA 73 -6.186 12.969 12.791 504 HB3 ALA 73 3HB ALA 73 -6.355 14.244 13.998 505 H PHE 74 H PHE 74 -6.367 11.679 17.126 506 HA PHE 74 HA PHE 74 -8.022 13.867 18.195 507 HB2 PHE 74 2HB PHE 74 -7.499 11.077 19.133 508 HB3 PHE 74 3HB PHE 74 -7.844 12.321 20.330 509 HD1 PHE 74 HD2 PHE 74 -9.226 11.689 16.926 510 HD2 PHE 74 HD1 PHE 74 -9.986 12.009 21.102 511 HE1 PHE 74 HE2 PHE 74 -11.635 11.419 16.505 512 HE2 PHE 74 HE1 PHE 74 -12.397 11.738 20.687 513 HZ PHE 74 HZ PHE 74 -13.224 11.444 18.386 514 H ASP 75 H ASP 75 -7.054 15.430 19.310 515 HA ASP 75 HA ASP 75 -4.218 15.119 19.968 516 HB2 ASP 75 2HB ASP 75 -4.727 17.064 18.631 517 HB3 ASP 75 3HB ASP 75 -5.976 17.569 19.765 518 H PHE 76 H PHE 76 -3.650 14.654 21.977 519 HA PHE 76 HA PHE 76 -5.292 15.673 24.191 520 HB2 PHE 76 2HB PHE 76 -5.562 13.134 23.566 521 HB3 PHE 76 3HB PHE 76 -4.026 12.969 24.410 522 HD1 PHE 76 HD2 PHE 76 -3.864 13.539 26.805 523 HD2 PHE 76 HD1 PHE 76 -7.587 13.512 24.742 524 HE1 PHE 76 HE2 PHE 76 -5.053 13.474 28.958 525 HE2 PHE 76 HE1 PHE 76 -8.782 13.448 26.892 526 HZ PHE 76 HZ PHE 76 -7.515 13.427 29.003 527 H GLU 77 H GLU 77 -4.160 16.638 25.759 528 HA GLU 77 HA GLU 77 -1.264 16.705 25.525 529 HB2 GLU 77 2HB GLU 77 -1.440 18.476 27.286 530 HB3 GLU 77 3HB GLU 77 -2.321 18.834 25.807 531 HG2 GLU 77 2HG GLU 77 -4.403 18.343 26.821 532 HG3 GLU 77 3HG GLU 77 -3.622 17.641 28.237 533 H TYR 78 H TYR 78 0.173 16.161 27.174 534 HA TYR 78 HA TYR 78 -0.837 14.931 29.601 535 HB2 TYR 78 2HB TYR 78 -0.523 13.256 27.507 536 HB3 TYR 78 3HB TYR 78 1.110 13.223 28.162 537 HD1 TYR 78 HD1 TYR 78 -2.363 13.164 29.561 538 HD2 TYR 78 HD2 TYR 78 1.528 11.444 29.554 539 HE1 TYR 78 HE1 TYR 78 -3.085 11.540 31.262 540 HE2 TYR 78 HE2 TYR 78 0.817 9.814 31.254 541 HH TYR 78 HH TYR 78 -1.391 10.018 33.187 542 H THR 79 H THR 79 1.163 14.004 30.864 543 HA THR 79 HA THR 79 3.234 16.089 30.754 544 HB THR 79 HB THR 79 2.101 16.102 32.867 545 HG1 THR 79 HG1 THR 79 3.931 16.203 33.944 546 HG21 THR 79 3HG2 THR 79 2.321 13.170 32.604 547 HG22 THR 79 1HG2 THR 79 1.054 14.150 33.341 548 HG23 THR 79 2HG2 THR 79 2.540 13.815 34.230 549 H THR 80 H THR 80 3.919 14.485 28.905 550 HA THR 80 HA THR 80 5.287 12.110 29.761 551 HB THR 80 HB THR 80 5.535 13.545 27.112 552 HG1 THR 80 HG1 THR 80 3.572 11.855 28.173 553 HG21 THR 80 3HG2 THR 80 5.855 10.928 26.569 554 HG22 THR 80 1HG2 THR 80 6.527 10.980 28.198 555 HG23 THR 80 2HG2 THR 80 7.197 12.012 26.934 556 H ASN 81 H ASN 81 6.326 15.292 28.546 557 HA ASN 81 HA ASN 81 9.100 14.734 29.044 558 HB2 ASN 81 2HB ASN 81 8.231 16.273 27.236 559 HB3 ASN 81 3HB ASN 81 7.841 17.428 28.508 560 HD21 ASN 81 1HD2 ASN 81 10.611 15.302 27.873 561 HD22 ASN 81 2HD2 ASN 81 11.803 16.551 27.953 562 H ASP 82 H ASP 82 6.509 16.444 30.687 563 HA ASP 82 HA ASP 82 7.584 16.173 33.234 564 HB2 ASP 82 2HB ASP 82 8.885 18.224 31.771 565 HB3 ASP 82 3HB ASP 82 7.866 19.013 32.973 566 H GLY 83 H GLY 83 5.625 18.075 31.038 567 HA2 GLY 83 2HA GLY 83 3.297 17.798 32.610 568 HA3 GLY 83 3HA GLY 83 3.985 19.393 32.878 569 HA PRO 84 HA PRO 84 2.036 20.941 29.276 570 HB2 PRO 84 2HB PRO 84 3.910 22.613 28.247 571 HB3 PRO 84 3HB PRO 84 3.010 22.973 29.725 572 HG2 PRO 84 2HG PRO 84 5.773 21.865 29.412 573 HG3 PRO 84 3HG PRO 84 5.187 23.107 30.533 574 HD2 PRO 84 2HD PRO 84 5.585 20.537 31.286 575 HD3 PRO 84 3HD PRO 84 4.315 21.554 31.997 576 H ARG 85 H ARG 85 2.269 18.652 28.382 577 HA ARG 85 HA ARG 85 3.923 18.747 25.947 578 HB2 ARG 85 2HB ARG 85 4.204 16.939 28.037 579 HB3 ARG 85 3HB ARG 85 3.273 16.053 26.836 580 HG2 ARG 85 2HG ARG 85 5.515 17.487 25.672 581 HG3 ARG 85 3HG ARG 85 6.008 16.322 26.903 582 HD2 ARG 85 2HD ARG 85 4.500 14.660 25.701 583 HD3 ARG 85 3HD ARG 85 4.446 15.829 24.383 584 HE ARG 85 HE ARG 85 7.089 15.530 24.792 585 HH11 ARG 85 1HH1 ARG 85 4.499 13.247 24.347 586 HH12 ARG 85 2HH1 ARG 85 5.506 12.052 23.598 587 HH21 ARG 85 1HH2 ARG 85 8.425 13.965 23.806 588 HH22 ARG 85 2HH2 ARG 85 7.739 12.462 23.291 589 H ASP 86 H ASP 86 3.038 17.817 24.074 590 HA ASP 86 HA ASP 86 0.167 17.181 24.217 591 HB2 ASP 86 2HB ASP 86 -0.081 18.324 22.002 592 HB3 ASP 86 3HB ASP 86 0.320 19.410 23.329 593 H LYS 87 H LYS 87 -0.483 15.420 23.118 594 HA LYS 87 HA LYS 87 1.385 14.198 21.205 595 HB2 LYS 87 2HB LYS 87 0.186 12.994 23.658 596 HB3 LYS 87 3HB LYS 87 0.391 11.969 22.244 597 HG2 LYS 87 2HG LYS 87 2.647 13.590 23.378 598 HG3 LYS 87 3HG LYS 87 2.259 11.970 23.963 599 HD2 LYS 87 2HD LYS 87 2.531 12.335 21.031 600 HD3 LYS 87 3HD LYS 87 4.006 12.403 21.998 601 HE2 LYS 87 2HE LYS 87 2.948 10.219 23.069 602 HE3 LYS 87 3HE LYS 87 2.153 10.134 21.498 603 HZ1 LYS 87 3HZ LYS 87 5.035 10.622 21.537 604 HZ2 LYS 87 1HZ LYS 87 4.101 9.752 20.427 605 HZ3 LYS 87 2HZ LYS 87 4.503 9.062 21.918 606 H LEU 88 H LEU 88 0.469 13.451 19.380 607 HA LEU 88 HA LEU 88 -2.467 13.556 19.211 608 HB2 LEU 88 2HB LEU 88 -0.351 13.872 17.090 609 HB3 LEU 88 3HB LEU 88 -2.078 13.771 16.751 610 HG LEU 88 HG LEU 88 -2.144 15.821 18.438 611 HD11 LEU 88 1HD1 LEU 88 0.448 16.413 17.089 612 HD12 LEU 88 2HD1 LEU 88 0.446 15.515 18.606 613 HD13 LEU 88 3HD1 LEU 88 -0.260 17.129 18.537 614 HD21 LEU 88 3HD2 LEU 88 -1.187 16.628 15.774 615 HD22 LEU 88 1HD2 LEU 88 -2.681 17.034 16.618 616 HD23 LEU 88 2HD2 LEU 88 -2.531 15.486 15.786 617 H ILE 89 H ILE 89 -3.577 11.756 18.788 618 HA ILE 89 HA ILE 89 -2.065 9.367 17.956 619 HB ILE 89 HB ILE 89 -4.660 9.353 19.490 620 HG12 ILE 89 2HG1 ILE 89 -2.795 8.504 21.277 621 HG13 ILE 89 3HG1 ILE 89 -1.877 9.728 20.407 622 HG21 ILE 89 1HG2 ILE 89 -4.385 7.289 18.425 623 HG22 ILE 89 2HG2 ILE 89 -2.647 7.268 18.719 624 HG23 ILE 89 3HG2 ILE 89 -3.770 7.022 20.056 625 HD11 ILE 89 3HD1 ILE 89 -4.589 10.496 21.267 626 HD12 ILE 89 1HD1 ILE 89 -3.392 10.257 22.540 627 HD13 ILE 89 2HD1 ILE 89 -3.090 11.425 21.253 628 H LEU 90 H LEU 90 -3.091 7.885 16.533 629 HA LEU 90 HA LEU 90 -5.354 9.011 15.022 630 HB2 LEU 90 2HB LEU 90 -3.375 9.313 13.704 631 HB3 LEU 90 3HB LEU 90 -2.887 7.640 13.971 632 HG LEU 90 HG LEU 90 -5.490 8.024 12.632 633 HD11 LEU 90 1HD1 LEU 90 -3.128 8.302 10.869 634 HD12 LEU 90 2HD1 LEU 90 -3.650 9.734 11.756 635 HD13 LEU 90 3HD1 LEU 90 -4.772 8.910 10.673 636 HD21 LEU 90 3HD2 LEU 90 -3.922 5.903 13.127 637 HD22 LEU 90 1HD2 LEU 90 -3.325 6.348 11.528 638 HD23 LEU 90 2HD2 LEU 90 -5.036 5.989 11.762 639 H ILE 91 H ILE 91 -7.069 7.731 15.052 640 HA ILE 91 HA ILE 91 -6.657 4.833 15.398 641 HB ILE 91 HB ILE 91 -9.117 6.369 16.224 642 HG12 ILE 91 2HG1 ILE 91 -7.993 5.601 18.563 643 HG13 ILE 91 3HG1 ILE 91 -6.543 5.908 17.613 644 HG21 ILE 91 1HG2 ILE 91 -8.327 3.548 16.189 645 HG22 ILE 91 2HG2 ILE 91 -9.019 4.096 17.716 646 HG23 ILE 91 3HG2 ILE 91 -9.932 4.279 16.218 647 HD11 ILE 91 3HD1 ILE 91 -8.511 8.024 17.356 648 HD12 ILE 91 1HD1 ILE 91 -7.990 7.768 19.021 649 HD13 ILE 91 2HD1 ILE 91 -6.798 8.108 17.766 650 H SER 92 H SER 92 -7.413 3.531 13.857 651 HA SER 92 HA SER 92 -9.444 4.574 12.000 652 HB2 SER 92 2HB SER 92 -7.293 4.708 10.868 653 HB3 SER 92 3HB SER 92 -6.947 3.026 11.266 654 HG SER 92 HG SER 92 -9.276 3.673 9.834 655 H TRP 93 H TRP 93 -11.012 3.163 11.381 656 HA TRP 93 HA TRP 93 -10.947 0.515 12.659 657 HB2 TRP 93 2HB TRP 93 -13.489 0.646 12.182 658 HB3 TRP 93 3HB TRP 93 -12.828 1.631 13.484 659 HD1 TRP 93 HD1 TRP 93 -14.531 1.893 10.107 660 HE1 TRP 93 HE1 TRP 93 -15.114 4.357 9.646 661 HE3 TRP 93 HE3 TRP 93 -11.994 4.066 13.977 662 HZ2 TRP 93 HZ2 TRP 93 -14.570 6.887 10.773 663 HZ3 TRP 93 HZ3 TRP 93 -12.076 6.514 14.215 664 HH2 TRP 93 HH2 TRP 93 -13.338 7.893 12.644 665 H ASN 94 H ASN 94 -10.468 -1.109 11.346 666 HA ASN 94 HA ASN 94 -11.786 -1.330 8.772 667 HB2 ASN 94 2HB ASN 94 -9.469 -1.929 7.743 668 HB3 ASN 94 3HB ASN 94 -9.924 -0.235 7.900 669 HD21 ASN 94 1HD2 ASN 94 -8.839 1.069 9.318 670 HD22 ASN 94 2HD2 ASN 94 -7.398 0.581 10.137 671 HA PRO 95 HA PRO 95 -11.534 -5.353 10.929 672 HB2 PRO 95 2HB PRO 95 -13.900 -6.254 9.951 673 HB3 PRO 95 3HB PRO 95 -13.784 -5.212 11.374 674 HG2 PRO 95 2HG PRO 95 -14.431 -4.486 8.543 675 HG3 PRO 95 3HG PRO 95 -15.191 -3.925 10.044 676 HD2 PRO 95 2HD PRO 95 -13.367 -2.448 8.694 677 HD3 PRO 95 3HD PRO 95 -13.525 -2.388 10.461 678 H ASP 96 H ASP 96 -10.536 -7.080 10.102 679 HA ASP 96 HA ASP 96 -9.756 -7.270 7.430 680 HB2 ASP 96 2HB ASP 96 -9.769 -9.188 9.732 681 HB3 ASP 96 3HB ASP 96 -9.343 -9.766 8.124 682 H SER 97 H SER 97 -12.649 -8.309 9.012 683 HA SER 97 HA SER 97 -13.431 -9.996 6.760 684 HB2 SER 97 2HB SER 97 -15.548 -10.245 8.283 685 HB3 SER 97 3HB SER 97 -14.051 -11.061 8.734 686 HG SER 97 HG SER 97 -15.423 -9.193 10.084 687 H GLY 98 H GLY 98 -13.275 -6.883 6.995 688 HA2 GLY 98 2HA GLY 98 -16.021 -6.135 6.420 689 HA3 GLY 98 3HA GLY 98 -14.634 -5.058 6.474 690 H ALA 99 H ALA 99 -13.304 -4.852 4.630 691 HA ALA 99 HA ALA 99 -14.191 -6.153 2.174 692 HB1 ALA 99 1HB ALA 99 -14.761 -3.383 2.844 693 HB2 ALA 99 2HB ALA 99 -13.877 -3.548 1.326 694 HB3 ALA 99 3HB ALA 99 -15.409 -4.393 1.551 695 HA PRO 100 HA PRO 100 -9.893 -6.174 1.260 696 HB2 PRO 100 2HB PRO 100 -9.969 -6.250 -1.453 697 HB3 PRO 100 3HB PRO 100 -10.398 -7.634 -0.441 698 HG2 PRO 100 2HG PRO 100 -12.186 -5.649 -1.792 699 HG3 PRO 100 3HG PRO 100 -12.358 -7.409 -1.673 700 HD2 PRO 100 2HD PRO 100 -13.735 -5.701 -0.087 701 HD3 PRO 100 3HD PRO 100 -13.218 -7.307 0.463 702 H ARG 101 H ARG 101 -11.885 -3.848 -0.526 703 HA ARG 101 HA ARG 101 -9.736 -2.217 -1.392 704 HB2 ARG 101 2HB ARG 101 -12.684 -1.657 -1.057 705 HB3 ARG 101 3HB ARG 101 -11.553 -0.500 -1.746 706 HG2 ARG 101 2HG ARG 101 -11.803 -3.258 -2.879 707 HG3 ARG 101 3HG ARG 101 -12.934 -1.980 -3.328 708 HD2 ARG 101 2HD ARG 101 -11.417 -0.920 -4.599 709 HD3 ARG 101 3HD ARG 101 -10.120 -1.183 -3.433 710 HE ARG 101 HE ARG 101 -9.499 -3.065 -4.590 711 HH11 ARG 101 1HH1 ARG 101 -12.639 -2.021 -5.671 712 HH12 ARG 101 2HH1 ARG 101 -12.688 -3.122 -7.008 713 HH21 ARG 101 1HH2 ARG 101 -9.552 -4.519 -6.347 714 HH22 ARG 101 2HH2 ARG 101 -10.932 -4.543 -7.391 715 H THR 102 H THR 102 -11.757 -2.239 1.482 716 HA THR 102 HA THR 102 -10.934 0.278 2.496 717 HB THR 102 HB THR 102 -12.031 -2.124 3.970 718 HG1 THR 102 HG1 THR 102 -13.379 -1.084 2.318 719 HG21 THR 102 3HG2 THR 102 -12.651 0.337 5.244 720 HG22 THR 102 1HG2 THR 102 -10.910 0.294 4.970 721 HG23 THR 102 2HG2 THR 102 -11.694 -1.007 5.866 722 H LYS 103 H LYS 103 -9.849 -3.043 3.134 723 HA LYS 103 HA LYS 103 -7.890 -2.331 5.053 724 HB2 LYS 103 2HB LYS 103 -7.013 -4.615 4.679 725 HB3 LYS 103 3HB LYS 103 -8.750 -4.593 4.953 726 HG2 LYS 103 2HG LYS 103 -9.124 -4.790 2.539 727 HG3 LYS 103 3HG LYS 103 -7.379 -4.846 2.283 728 HD2 LYS 103 2HD LYS 103 -8.223 -7.092 2.252 729 HD3 LYS 103 3HD LYS 103 -7.295 -6.867 3.737 730 HE2 LYS 103 2HE LYS 103 -9.063 -7.412 4.965 731 HE3 LYS 103 3HE LYS 103 -10.021 -6.142 4.205 732 HZ1 LYS 103 3HZ LYS 103 -10.680 -7.626 2.489 733 HZ2 LYS 103 1HZ LYS 103 -10.943 -8.421 3.959 734 HZ3 LYS 103 2HZ LYS 103 -9.604 -8.824 3.008 735 H MET 104 H MET 104 -7.800 -2.794 1.556 736 HA MET 104 HA MET 104 -4.972 -2.536 1.324 737 HB2 MET 104 2HB MET 104 -7.279 -2.646 -0.542 738 HB3 MET 104 3HB MET 104 -5.804 -1.902 -1.146 739 HG2 MET 104 2HG MET 104 -5.104 -4.319 0.166 740 HG3 MET 104 3HG MET 104 -6.443 -4.648 -0.931 741 HE1 MET 104 3HE MET 104 -5.390 -5.910 -3.143 742 HE2 MET 104 1HE MET 104 -3.626 -5.926 -3.149 743 HE3 MET 104 2HE MET 104 -4.505 -6.307 -1.669 744 H LEU 105 H LEU 105 -7.682 -0.305 0.755 745 HA LEU 105 HA LEU 105 -6.208 1.904 -0.080 746 HB2 LEU 105 2HB LEU 105 -8.848 1.586 1.290 747 HB3 LEU 105 3HB LEU 105 -8.185 3.194 1.004 748 HG LEU 105 HG LEU 105 -8.814 1.151 -1.127 749 HD11 LEU 105 1HD1 LEU 105 -10.247 3.711 -1.044 750 HD12 LEU 105 2HD1 LEU 105 -10.622 2.602 0.275 751 HD13 LEU 105 3HD1 LEU 105 -10.836 2.087 -1.398 752 HD21 LEU 105 3HD2 LEU 105 -7.659 2.404 -2.549 753 HD22 LEU 105 1HD2 LEU 105 -7.060 3.339 -1.179 754 HD23 LEU 105 2HD2 LEU 105 -8.514 3.858 -2.032 755 H TYR 106 H TYR 106 -6.742 0.611 3.112 756 HA TYR 106 HA TYR 106 -6.082 2.832 4.669 757 HB2 TYR 106 2HB TYR 106 -7.016 0.902 5.729 758 HB3 TYR 106 3HB TYR 106 -5.703 -0.123 5.163 759 HD1 TYR 106 HD1 TYR 106 -3.490 -0.004 6.217 760 HD2 TYR 106 HD2 TYR 106 -6.755 2.306 7.669 761 HE1 TYR 106 HE1 TYR 106 -2.262 0.407 8.308 762 HE2 TYR 106 HE2 TYR 106 -5.536 2.724 9.763 763 HH TYR 106 HH TYR 106 -3.747 2.163 10.995 764 H SER 107 H SER 107 -3.987 0.252 3.402 765 HA SER 107 HA SER 107 -1.588 1.345 4.456 766 HB2 SER 107 2HB SER 107 -2.364 -0.952 2.884 767 HB3 SER 107 3HB SER 107 -0.912 -0.209 2.213 768 HG SER 107 HG SER 107 -0.360 -1.713 3.810 769 H SER 108 H SER 108 -3.396 1.852 1.524 770 HA SER 108 HA SER 108 -1.343 3.072 0.003 771 HB2 SER 108 2HB SER 108 -4.348 3.401 -0.182 772 HB3 SER 108 3HB SER 108 -3.191 3.933 -1.402 773 HG SER 108 HG SER 108 -3.164 1.260 -0.549 774 H SER 109 H SER 109 -3.356 4.182 2.574 775 HA SER 109 HA SER 109 -2.599 6.973 2.052 776 HB2 SER 109 2HB SER 109 -4.457 6.362 4.276 777 HB3 SER 109 3HB SER 109 -4.532 7.636 3.059 778 HG SER 109 HG SER 109 -6.142 5.844 2.962 779 H ARG 110 H ARG 110 -2.078 4.304 4.172 780 HA ARG 110 HA ARG 110 -1.176 5.693 6.457 781 HB2 ARG 110 2HB ARG 110 -1.736 3.140 6.034 782 HB3 ARG 110 3HB ARG 110 -0.007 3.046 5.728 783 HG2 ARG 110 2HG ARG 110 0.098 4.358 8.025 784 HG3 ARG 110 3HG ARG 110 -1.463 3.567 8.254 785 HD2 ARG 110 2HD ARG 110 -0.419 1.396 7.794 786 HD3 ARG 110 3HD ARG 110 1.139 2.195 7.588 787 HE ARG 110 HE ARG 110 -0.102 2.707 10.131 788 HH11 ARG 110 1HH1 ARG 110 1.945 0.550 8.320 789 HH12 ARG 110 2HH1 ARG 110 2.737 -0.086 9.723 790 HH21 ARG 110 1HH2 ARG 110 0.933 1.877 11.986 791 HH22 ARG 110 2HH2 ARG 110 2.160 0.669 11.808 792 H ASP 111 H ASP 111 0.468 4.547 3.553 793 HA ASP 111 HA ASP 111 3.105 5.058 4.377 794 HB2 ASP 111 2HB ASP 111 2.145 3.821 2.261 795 HB3 ASP 111 3HB ASP 111 2.298 5.410 1.517 796 H ALA 112 H ALA 112 0.744 7.093 2.693 797 HA ALA 112 HA ALA 112 2.551 9.325 2.511 798 HB1 ALA 112 1HB ALA 112 -0.396 9.618 2.165 799 HB2 ALA 112 2HB ALA 112 0.925 10.383 1.280 800 HB3 ALA 112 3HB ALA 112 0.526 8.691 0.982 801 H LEU 113 H LEU 113 0.281 8.130 4.812 802 HA LEU 113 HA LEU 113 -0.061 10.660 6.168 803 HB2 LEU 113 2HB LEU 113 -0.986 7.856 6.642 804 HB3 LEU 113 3HB LEU 113 -1.104 9.055 7.929 805 HG LEU 113 HG LEU 113 -2.321 9.535 5.226 806 HD11 LEU 113 1HD1 LEU 113 -3.046 7.353 6.532 807 HD12 LEU 113 2HD1 LEU 113 -4.223 8.384 5.719 808 HD13 LEU 113 3HD1 LEU 113 -3.989 8.518 7.462 809 HD21 LEU 113 3HD2 LEU 113 -2.223 11.503 6.508 810 HD22 LEU 113 1HD2 LEU 113 -2.676 10.660 7.989 811 HD23 LEU 113 2HD2 LEU 113 -3.869 10.902 6.713 812 H VAL 114 H VAL 114 2.096 7.977 6.281 813 HA VAL 114 HA VAL 114 2.972 8.011 8.915 814 HB VAL 114 HB VAL 114 4.225 7.240 6.329 815 HG11 VAL 114 1HG1 VAL 114 6.141 8.238 7.190 816 HG12 VAL 114 2HG1 VAL 114 5.736 7.809 8.853 817 HG13 VAL 114 3HG1 VAL 114 6.282 6.565 7.728 818 HG21 VAL 114 3HG2 VAL 114 4.547 5.428 8.541 819 HG22 VAL 114 1HG2 VAL 114 2.870 5.958 8.412 820 HG23 VAL 114 2HG2 VAL 114 3.665 5.205 7.030 821 HA PRO 115 HA PRO 115 6.247 11.344 7.650 822 HB2 PRO 115 2HB PRO 115 5.854 12.619 5.286 823 HB3 PRO 115 3HB PRO 115 6.807 11.137 5.432 824 HG2 PRO 115 2HG PRO 115 3.968 11.484 4.548 825 HG3 PRO 115 3HG PRO 115 5.237 10.456 3.857 826 HD2 PRO 115 2HD PRO 115 3.303 9.487 5.486 827 HD3 PRO 115 3HD PRO 115 4.945 8.812 5.445 828 H LEU 116 H LEU 116 2.934 11.891 6.539 829 HA LEU 116 HA LEU 116 2.856 14.663 7.092 830 HB2 LEU 116 2HB LEU 116 1.245 13.065 5.743 831 HB3 LEU 116 3HB LEU 116 0.399 12.996 7.287 832 HG LEU 116 HG LEU 116 -0.650 14.652 5.917 833 HD11 LEU 116 1HD1 LEU 116 -0.761 16.346 7.451 834 HD12 LEU 116 2HD1 LEU 116 0.981 16.366 7.723 835 HD13 LEU 116 3HD1 LEU 116 -0.006 15.085 8.426 836 HD21 LEU 116 3HD2 LEU 116 1.501 16.568 5.712 837 HD22 LEU 116 1HD2 LEU 116 0.430 15.938 4.461 838 HD23 LEU 116 2HD2 LEU 116 1.900 15.061 4.886 839 H THR 117 H THR 117 2.002 11.806 8.988 840 HA THR 117 HA THR 117 1.418 13.520 11.298 841 HB THR 117 HB THR 117 0.449 11.534 12.346 842 HG1 THR 117 HG1 THR 117 1.645 10.288 10.153 843 HG21 THR 117 3HG2 THR 117 -1.010 12.890 10.952 844 HG22 THR 117 1HG2 THR 117 -1.444 11.188 10.802 845 HG23 THR 117 2HG2 THR 117 -0.525 11.980 9.522 846 H GLN 118 H GLN 118 3.933 13.791 11.071 847 HA GLN 118 HA GLN 118 5.663 11.753 11.904 848 HB2 GLN 118 2HB GLN 118 5.835 14.543 11.329 849 HB3 GLN 118 3HB GLN 118 6.654 14.243 12.856 850 HG2 GLN 118 2HG GLN 118 7.211 12.527 10.473 851 HG3 GLN 118 3HG GLN 118 7.986 14.100 10.653 852 HE21 GLN 118 1HE2 GLN 118 9.950 13.921 11.430 853 HE22 GLN 118 2HE2 GLN 118 10.479 12.799 12.632 854 H GLY 119 H GLY 119 5.959 10.795 13.806 855 HA2 GLY 119 2HA GLY 119 5.980 10.424 16.076 856 HA3 GLY 119 3HA GLY 119 5.827 12.161 16.295 857 H PHE 120 H PHE 120 3.723 9.645 14.896 858 HA PHE 120 HA PHE 120 1.637 10.475 16.799 859 HB2 PHE 120 2HB PHE 120 0.025 10.646 15.165 860 HB3 PHE 120 3HB PHE 120 1.436 11.181 14.258 861 HD1 PHE 120 HD2 PHE 120 2.809 8.899 13.393 862 HD2 PHE 120 HD1 PHE 120 -1.390 9.389 13.886 863 HE1 PHE 120 HE2 PHE 120 2.411 7.130 11.730 864 HE2 PHE 120 HE1 PHE 120 -1.795 7.620 12.225 865 HZ PHE 120 HZ PHE 120 0.106 6.488 11.143 866 H GLN 121 H GLN 121 0.009 8.838 17.240 867 HA GLN 121 HA GLN 121 1.170 6.145 17.131 868 HB2 GLN 121 2HB GLN 121 -0.410 7.631 19.104 869 HB3 GLN 121 3HB GLN 121 -0.972 5.985 18.845 870 HG2 GLN 121 2HG GLN 121 0.549 5.851 20.615 871 HG3 GLN 121 3HG GLN 121 1.424 5.256 19.205 872 HE21 GLN 121 1HE2 GLN 121 2.929 5.962 21.246 873 HE22 GLN 121 2HE2 GLN 121 3.712 7.478 20.977 874 H GLY 122 H GLY 122 0.478 5.757 14.957 875 HA2 GLY 122 2HA GLY 122 -2.373 5.744 14.403 876 HA3 GLY 122 3HA GLY 122 -1.089 5.316 13.282 877 H ILE 123 H ILE 123 -3.628 4.119 15.010 878 HA ILE 123 HA ILE 123 -2.567 1.384 14.807 879 HB ILE 123 HB ILE 123 -4.332 2.392 17.042 880 HG12 ILE 123 2HG1 ILE 123 -1.849 1.252 17.912 881 HG13 ILE 123 3HG1 ILE 123 -1.515 2.511 16.728 882 HG21 ILE 123 1HG2 ILE 123 -3.592 0.035 17.931 883 HG22 ILE 123 2HG2 ILE 123 -4.966 0.199 16.838 884 HG23 ILE 123 3HG2 ILE 123 -3.399 -0.312 16.213 885 HD11 ILE 123 3HD1 ILE 123 -3.072 3.978 18.111 886 HD12 ILE 123 1HD1 ILE 123 -2.920 2.744 19.361 887 HD13 ILE 123 2HD1 ILE 123 -1.488 3.599 18.787 888 H GLN 124 H GLN 124 -3.853 -0.023 13.775 889 HA GLN 124 HA GLN 124 -6.541 0.902 13.022 890 HB2 GLN 124 2HB GLN 124 -6.292 -0.860 11.192 891 HB3 GLN 124 3HB GLN 124 -5.291 0.579 11.054 892 HG2 GLN 124 2HG GLN 124 -3.392 -0.577 11.232 893 HG3 GLN 124 3HG GLN 124 -4.020 -1.596 12.526 894 HE21 GLN 124 1HE2 GLN 124 -3.608 -3.602 11.890 895 HE22 GLN 124 2HE2 GLN 124 -4.066 -4.288 10.372 896 H ALA 125 H ALA 125 -8.158 -0.018 14.079 897 HA ALA 125 HA ALA 125 -8.127 -2.891 14.554 898 HB1 ALA 125 1HB ALA 125 -7.316 -2.436 16.641 899 HB2 ALA 125 2HB ALA 125 -8.063 -0.839 16.705 900 HB3 ALA 125 3HB ALA 125 -9.046 -2.283 16.949 901 H ASN 126 H ASN 126 -10.149 -3.813 14.602 902 HA ASN 126 HA ASN 126 -12.346 -2.044 13.822 903 HB2 ASN 126 2HB ASN 126 -13.437 -4.012 12.953 904 HB3 ASN 126 3HB ASN 126 -11.769 -4.008 12.388 905 HD21 ASN 126 1HD2 ASN 126 -14.041 -6.016 13.298 906 HD22 ASN 126 2HD2 ASN 126 -13.123 -7.232 14.113 907 H ASP 127 H ASP 127 -14.469 -2.342 14.730 908 HA ASP 127 HA ASP 127 -15.951 -2.530 16.445 909 HB2 ASP 127 2HB ASP 127 -14.190 -4.671 17.629 910 HB3 ASP 127 3HB ASP 127 -15.937 -4.491 17.772 911 H ALA 128 H ALA 128 -15.503 -3.171 19.170 912 HA ALA 128 HA ALA 128 -14.826 -0.718 20.244 913 HB1 ALA 128 1HB ALA 128 -15.345 -1.648 22.218 914 HB2 ALA 128 2HB ALA 128 -15.814 -3.044 21.246 915 HB3 ALA 128 3HB ALA 128 -14.219 -2.987 21.997 916 H SER 129 H SER 129 -12.756 -3.313 19.246 917 HA SER 129 HA SER 129 -10.462 -2.744 20.743 918 HB2 SER 129 2HB SER 129 -10.393 -3.723 17.891 919 HB3 SER 129 3HB SER 129 -9.277 -4.100 19.204 920 HG SER 129 HG SER 129 -10.713 -5.470 20.059 921 H GLY 130 H GLY 130 -11.883 -1.110 18.045 922 HA2 GLY 130 2HA GLY 130 -9.456 0.525 17.702 923 HA3 GLY 130 3HA GLY 130 -10.765 0.395 16.536 924 H LEU 131 H LEU 131 -10.940 0.997 20.025 925 HA LEU 131 HA LEU 131 -11.332 3.776 19.865 926 HB2 LEU 131 2HB LEU 131 -13.790 3.772 20.413 927 HB3 LEU 131 3HB LEU 131 -13.365 3.399 18.744 928 HG LEU 131 HG LEU 131 -13.532 0.911 19.920 929 HD11 LEU 131 1HD1 LEU 131 -15.587 2.750 21.115 930 HD12 LEU 131 2HD1 LEU 131 -14.495 1.642 21.945 931 HD13 LEU 131 3HD1 LEU 131 -15.826 1.008 20.976 932 HD21 LEU 131 3HD2 LEU 131 -15.981 2.053 18.704 933 HD22 LEU 131 1HD2 LEU 131 -15.126 0.553 18.343 934 HD23 LEU 131 2HD2 LEU 131 -14.504 2.090 17.741 935 H ASP 132 H ASP 132 -10.025 1.778 21.494 936 HA ASP 132 HA ASP 132 -11.425 1.844 24.043 937 HB2 ASP 132 2HB ASP 132 -8.918 0.515 23.054 938 HB3 ASP 132 3HB ASP 132 -9.246 0.637 24.781 939 H PHE 133 H PHE 133 -11.348 3.741 25.072 940 HA PHE 133 HA PHE 133 -9.496 5.765 24.782 941 HB2 PHE 133 2HB PHE 133 -11.625 6.098 25.922 942 HB3 PHE 133 3HB PHE 133 -11.108 5.051 27.240 943 HD1 PHE 133 HD1 PHE 133 -10.491 8.286 25.576 944 HD2 PHE 133 HD2 PHE 133 -9.790 5.875 29.013 945 HE1 PHE 133 HE1 PHE 133 -9.554 10.236 26.748 946 HE2 PHE 133 HE2 PHE 133 -8.853 7.821 30.191 947 HZ PHE 133 HZ PHE 133 -8.735 10.006 29.059 948 H GLU 134 H GLU 134 -9.515 3.160 27.200 949 HA GLU 134 HA GLU 134 -7.240 3.924 28.617 950 HB2 GLU 134 2HB GLU 134 -8.972 1.658 28.506 951 HB3 GLU 134 3HB GLU 134 -7.311 1.082 28.497 952 HG2 GLU 134 2HG GLU 134 -6.902 2.538 30.499 953 HG3 GLU 134 3HG GLU 134 -8.641 2.821 30.555 954 H GLU 135 H GLU 135 -7.572 2.194 25.589 955 HA GLU 135 HA GLU 135 -4.890 1.280 25.421 956 HB2 GLU 135 2HB GLU 135 -6.949 0.489 24.092 957 HB3 GLU 135 3HB GLU 135 -6.641 1.868 23.045 958 HG2 GLU 135 2HG GLU 135 -5.438 0.355 21.900 959 HG3 GLU 135 3HG GLU 135 -4.194 0.794 23.069 960 H ILE 136 H ILE 136 -6.551 4.177 24.271 961 HA ILE 136 HA ILE 136 -4.378 5.226 22.792 962 HB ILE 136 HB ILE 136 -6.696 6.686 24.064 963 HG12 ILE 136 2HG1 ILE 136 -7.351 4.938 22.435 964 HG13 ILE 136 3HG1 ILE 136 -7.733 6.559 21.865 965 HG21 ILE 136 1HG2 ILE 136 -4.454 7.563 22.337 966 HG22 ILE 136 2HG2 ILE 136 -6.050 8.233 22.002 967 HG23 ILE 136 3HG2 ILE 136 -5.325 8.437 23.596 968 HD11 ILE 136 3HD1 ILE 136 -6.359 4.591 20.493 969 HD12 ILE 136 1HD1 ILE 136 -6.486 6.295 20.056 970 HD13 ILE 136 2HD1 ILE 136 -5.109 5.727 21.001 971 H SER 137 H SER 137 -5.543 5.849 26.091 972 HA SER 137 HA SER 137 -3.597 7.782 26.744 973 HB2 SER 137 2HB SER 137 -5.750 7.336 27.993 974 HB3 SER 137 3HB SER 137 -4.968 5.917 28.690 975 HG SER 137 HG SER 137 -4.840 7.879 29.976 976 H ARG 138 H ARG 138 -3.655 4.272 27.026 977 HA ARG 138 HA ARG 138 -1.267 4.040 28.542 978 HB2 ARG 138 2HB ARG 138 -3.093 2.286 28.239 979 HB3 ARG 138 3HB ARG 138 -2.369 1.949 26.673 980 HG2 ARG 138 2HG ARG 138 -0.313 1.927 28.638 981 HG3 ARG 138 3HG ARG 138 -1.649 0.920 29.200 982 HD2 ARG 138 2HD ARG 138 -1.526 0.104 26.652 983 HD3 ARG 138 3HD ARG 138 0.158 0.570 26.884 984 HE ARG 138 HE ARG 138 0.431 -1.304 28.147 985 HH11 ARG 138 1HH1 ARG 138 -2.954 -0.491 28.099 986 HH12 ARG 138 2HH1 ARG 138 -3.438 -1.901 28.982 987 HH21 ARG 138 1HH2 ARG 138 -0.194 -3.164 29.310 988 HH22 ARG 138 2HH2 ARG 138 -1.868 -3.420 29.671 989 H LYS 139 H LYS 139 -1.972 4.067 25.091 990 HA LYS 139 HA LYS 139 0.615 3.324 24.214 991 HB2 LYS 139 2HB LYS 139 -1.766 3.607 22.979 992 HB3 LYS 139 3HB LYS 139 -1.000 5.114 22.492 993 HG2 LYS 139 2HG LYS 139 -0.358 3.763 20.777 994 HG3 LYS 139 3HG LYS 139 0.998 3.519 21.880 995 HD2 LYS 139 2HD LYS 139 0.255 1.412 22.526 996 HD3 LYS 139 3HD LYS 139 -1.400 1.727 21.997 997 HE2 LYS 139 2HE LYS 139 -0.872 0.580 20.156 998 HE3 LYS 139 3HE LYS 139 0.062 1.996 19.680 999 HZ1 LYS 139 3HZ LYS 139 1.266 -0.196 19.636 1000 HZ2 LYS 139 1HZ LYS 139 1.207 -0.181 21.327 1001 HZ3 LYS 139 2HZ LYS 139 2.031 1.042 20.499 1002 H VAL 140 H VAL 140 -0.961 6.494 24.563 1003 HA VAL 140 HA VAL 140 1.298 8.000 23.745 1004 HB VAL 140 HB VAL 140 -0.947 8.952 23.679 1005 HG11 VAL 140 1HG1 VAL 140 -1.677 7.794 25.813 1006 HG12 VAL 140 2HG1 VAL 140 -0.884 9.110 26.681 1007 HG13 VAL 140 3HG1 VAL 140 -2.230 9.454 25.594 1008 HG21 VAL 140 3HG2 VAL 140 -0.445 11.136 24.704 1009 HG22 VAL 140 1HG2 VAL 140 0.907 10.401 25.566 1010 HG23 VAL 140 2HG2 VAL 140 0.926 10.486 23.805 1011 H LYS 141 H LYS 141 0.122 6.896 26.878 1012 HA LYS 141 HA LYS 141 2.003 8.378 28.422 1013 HB2 LYS 141 2HB LYS 141 -0.110 7.564 29.369 1014 HB3 LYS 141 3HB LYS 141 0.419 5.903 29.136 1015 HG2 LYS 141 2HG LYS 141 2.356 6.433 30.662 1016 HG3 LYS 141 3HG LYS 141 1.529 7.947 31.037 1017 HD2 LYS 141 2HD LYS 141 -0.471 6.122 31.370 1018 HD3 LYS 141 3HD LYS 141 0.940 5.207 31.904 1019 HE2 LYS 141 2HE LYS 141 1.238 7.737 33.040 1020 HE3 LYS 141 3HE LYS 141 -0.473 7.354 33.221 1021 HZ1 LYS 141 3HZ LYS 141 0.114 5.295 34.300 1022 HZ2 LYS 141 1HZ LYS 141 0.860 6.584 35.103 1023 HZ3 LYS 141 2HZ LYS 141 1.763 5.595 34.071 1024 H SER 142 H SER 142 1.999 5.227 26.903 1025 HA SER 142 HA SER 142 4.408 4.359 28.235 1026 HB2 SER 142 2HB SER 142 2.793 2.667 27.625 1027 HB3 SER 142 3HB SER 142 2.829 3.180 25.938 1028 HG SER 142 HG SER 142 4.983 2.046 27.400 1029 H ASN 143 H ASN 143 3.525 5.872 25.215 1030 HA ASN 143 HA ASN 143 4.745 6.726 23.495 1031 HB2 ASN 143 2HB ASN 143 5.860 7.717 25.692 1032 HB3 ASN 143 3HB ASN 143 7.227 6.747 25.153 1033 HD21 ASN 143 1HD2 ASN 143 6.728 9.691 25.314 1034 HD22 ASN 143 2HD2 ASN 143 7.113 10.286 23.738 1035 H ARG 144 H ARG 144 4.485 4.032 23.334 1036 HA ARG 144 HA ARG 144 7.066 3.232 22.178 1037 HB2 ARG 144 2HB ARG 144 5.706 1.990 24.383 1038 HB3 ARG 144 3HB ARG 144 5.757 0.877 23.023 1039 HG2 ARG 144 2HG ARG 144 8.242 2.310 23.828 1040 HG3 ARG 144 3HG ARG 144 7.689 0.925 24.771 1041 HD2 ARG 144 2HD ARG 144 9.138 -0.008 23.198 1042 HD3 ARG 144 3HD ARG 144 7.534 -0.297 22.523 1043 HE ARG 144 HE ARG 144 8.731 2.138 21.593 1044 HH11 ARG 144 1HH1 ARG 144 8.535 -1.304 21.110 1045 HH12 ARG 144 2HH1 ARG 144 8.983 -1.226 19.438 1046 HH21 ARG 144 1HH2 ARG 144 9.322 2.253 19.393 1047 HH22 ARG 144 2HH2 ARG 144 9.431 0.798 18.463 Start of MODEL 13 1 H MET 9 H MET 9 1.254 -3.574 -4.080 2 HA MET 9 HA MET 9 -1.653 -3.551 -3.745 3 HB2 MET 9 2HB MET 9 0.311 -4.743 -1.890 4 HB3 MET 9 3HB MET 9 -0.890 -3.695 -1.146 5 HG2 MET 9 2HG MET 9 -1.890 -5.761 -1.020 6 HG3 MET 9 3HG MET 9 -2.596 -5.091 -2.488 7 HE1 MET 9 3HE MET 9 -1.859 -7.441 -5.149 8 HE2 MET 9 1HE MET 9 -2.741 -6.066 -4.484 9 HE3 MET 9 2HE MET 9 -1.107 -5.846 -5.109 10 H ALA 10 H ALA 10 1.430 -2.325 -2.454 11 HA ALA 10 HA ALA 10 0.510 -0.044 -1.195 12 HB1 ALA 10 1HB ALA 10 3.066 0.130 -2.703 13 HB2 ALA 10 2HB ALA 10 2.694 0.611 -1.048 14 HB3 ALA 10 3HB ALA 10 2.917 -1.093 -1.441 15 H MET 11 H MET 11 0.411 2.162 -1.825 16 HA MET 11 HA MET 11 -0.382 3.839 -3.147 17 HB2 MET 11 2HB MET 11 1.518 2.528 -5.097 18 HB3 MET 11 3HB MET 11 0.790 4.111 -5.331 19 HG2 MET 11 2HG MET 11 2.740 4.789 -4.432 20 HG3 MET 11 3HG MET 11 1.862 4.511 -2.930 21 HE1 MET 11 3HE MET 11 5.061 4.594 -2.820 22 HE2 MET 11 1HE MET 11 3.912 4.351 -1.504 23 HE3 MET 11 2HE MET 11 5.255 3.229 -1.720 24 H SER 12 H SER 12 -2.527 2.990 -3.180 25 HA SER 12 HA SER 12 -3.284 1.533 -5.611 26 HB2 SER 12 2HB SER 12 -4.106 1.323 -2.918 27 HB3 SER 12 3HB SER 12 -5.486 1.969 -3.807 28 HG SER 12 HG SER 12 -4.017 -0.273 -4.711 29 H GLY 13 H GLY 13 -4.671 4.148 -3.608 30 HA2 GLY 13 2HA GLY 13 -4.818 6.072 -5.616 31 HA3 GLY 13 3HA GLY 13 -6.315 5.152 -5.682 32 H VAL 14 H VAL 14 -4.310 7.225 -3.669 33 HA VAL 14 HA VAL 14 -6.581 8.495 -2.522 34 HB VAL 14 HB VAL 14 -6.520 6.360 -1.202 35 HG11 VAL 14 1HG1 VAL 14 -4.226 7.350 0.374 36 HG12 VAL 14 2HG1 VAL 14 -4.736 5.698 0.022 37 HG13 VAL 14 3HG1 VAL 14 -3.851 6.626 -1.190 38 HG21 VAL 14 3HG2 VAL 14 -7.558 7.575 0.341 39 HG22 VAL 14 1HG2 VAL 14 -6.010 8.148 0.962 40 HG23 VAL 14 2HG2 VAL 14 -6.824 9.031 -0.330 41 H SER 15 H SER 15 -6.055 10.451 -1.654 42 HA SER 15 HA SER 15 -3.290 11.029 -0.951 43 HB2 SER 15 2HB SER 15 -4.450 11.790 -3.479 44 HB3 SER 15 3HB SER 15 -4.055 13.228 -2.538 45 HG SER 15 HG SER 15 -2.268 11.080 -3.040 46 H VAL 16 H VAL 16 -3.100 12.570 0.595 47 HA VAL 16 HA VAL 16 -5.466 13.398 1.965 48 HB VAL 16 HB VAL 16 -3.453 12.898 3.226 49 HG11 VAL 16 1HG1 VAL 16 -1.434 13.569 2.590 50 HG12 VAL 16 2HG1 VAL 16 -2.173 14.391 1.215 51 HG13 VAL 16 3HG1 VAL 16 -1.913 15.260 2.728 52 HG21 VAL 16 3HG2 VAL 16 -3.349 14.935 4.624 53 HG22 VAL 16 1HG2 VAL 16 -4.240 15.806 3.376 54 HG23 VAL 16 2HG2 VAL 16 -5.001 14.462 4.227 55 H ALA 17 H ALA 17 -6.629 15.181 1.684 56 HA ALA 17 HA ALA 17 -5.857 17.125 -0.291 57 HB1 ALA 17 1HB ALA 17 -8.282 16.719 1.419 58 HB2 ALA 17 2HB ALA 17 -8.060 18.209 0.501 59 HB3 ALA 17 3HB ALA 17 -8.132 16.659 -0.338 60 H ASP 18 H ASP 18 -5.904 19.458 0.132 61 HA ASP 18 HA ASP 18 -4.080 20.240 2.073 62 HB2 ASP 18 2HB ASP 18 -6.066 21.725 0.390 63 HB3 ASP 18 3HB ASP 18 -5.170 22.585 1.639 64 H GLU 19 H GLU 19 -7.610 20.239 2.165 65 HA GLU 19 HA GLU 19 -7.984 21.651 4.540 66 HB2 GLU 19 2HB GLU 19 -10.156 20.493 4.683 67 HB3 GLU 19 3HB GLU 19 -9.837 21.108 3.068 68 HG2 GLU 19 2HG GLU 19 -8.853 18.619 2.821 69 HG3 GLU 19 3HG GLU 19 -10.113 18.340 4.021 70 H CYS 20 H CYS 20 -7.350 18.218 3.995 71 HA CYS 20 HA CYS 20 -7.671 17.399 6.680 72 HB2 CYS 20 2HB CYS 20 -6.227 16.203 4.322 73 HB3 CYS 20 3HB CYS 20 -6.216 15.430 5.902 74 HG CYS 20 HG CYS 20 -8.380 14.127 5.497 75 H VAL 21 H VAL 21 -4.819 18.350 4.799 76 HA VAL 21 HA VAL 21 -2.873 17.847 6.738 77 HB VAL 21 HB VAL 21 -2.791 20.101 4.732 78 HG11 VAL 21 1HG1 VAL 21 -0.760 18.666 6.382 79 HG12 VAL 21 2HG1 VAL 21 -0.299 19.322 4.810 80 HG13 VAL 21 3HG1 VAL 21 -0.933 20.391 6.061 81 HG21 VAL 21 3HG2 VAL 21 -1.435 18.116 3.529 82 HG22 VAL 21 1HG2 VAL 21 -2.659 17.174 4.381 83 HG23 VAL 21 2HG2 VAL 21 -3.146 18.434 3.246 84 H THR 22 H THR 22 -4.716 20.813 6.080 85 HA THR 22 HA THR 22 -3.500 22.382 8.086 86 HB THR 22 HB THR 22 -6.343 22.825 7.232 87 HG1 THR 22 HG1 THR 22 -5.672 22.823 5.227 88 HG21 THR 22 3HG2 THR 22 -4.383 24.299 8.645 89 HG22 THR 22 1HG2 THR 22 -6.001 24.816 8.171 90 HG23 THR 22 2HG2 THR 22 -4.632 25.109 7.098 91 H ALA 23 H ALA 23 -6.420 20.377 8.077 92 HA ALA 23 HA ALA 23 -7.403 21.054 10.599 93 HB1 ALA 23 1HB ALA 23 -7.961 18.330 10.220 94 HB2 ALA 23 2HB ALA 23 -8.998 19.707 9.848 95 HB3 ALA 23 3HB ALA 23 -7.922 19.054 8.612 96 H LEU 24 H LEU 24 -5.128 18.490 9.663 97 HA LEU 24 HA LEU 24 -4.788 17.460 12.280 98 HB2 LEU 24 2HB LEU 24 -2.990 17.300 9.866 99 HB3 LEU 24 3HB LEU 24 -2.785 16.356 11.340 100 HG LEU 24 HG LEU 24 -5.213 16.188 9.561 101 HD11 LEU 24 1HD1 LEU 24 -2.564 14.914 9.372 102 HD12 LEU 24 2HD1 LEU 24 -3.775 15.214 8.127 103 HD13 LEU 24 3HD1 LEU 24 -3.952 13.838 9.215 104 HD21 LEU 24 3HD2 LEU 24 -5.357 13.951 10.811 105 HD22 LEU 24 1HD2 LEU 24 -5.815 15.416 11.679 106 HD23 LEU 24 2HD2 LEU 24 -4.237 14.679 11.963 107 H ASN 25 H ASN 25 -3.039 19.869 10.379 108 HA ASN 25 HA ASN 25 -0.848 20.244 12.063 109 HB2 ASN 25 2HB ASN 25 -2.204 21.832 9.960 110 HB3 ASN 25 3HB ASN 25 -1.177 22.733 11.071 111 HD21 ASN 25 1HD2 ASN 25 -1.058 21.734 8.151 112 HD22 ASN 25 2HD2 ASN 25 0.551 21.118 8.020 113 H ASP 26 H ASP 26 -4.017 21.840 12.067 114 HA ASP 26 HA ASP 26 -3.427 23.519 14.294 115 HB2 ASP 26 2HB ASP 26 -6.208 22.729 13.464 116 HB3 ASP 26 3HB ASP 26 -5.655 24.254 14.152 117 H LEU 27 H LEU 27 -4.940 20.367 13.904 118 HA LEU 27 HA LEU 27 -6.019 20.060 16.458 119 HB2 LEU 27 2HB LEU 27 -6.128 18.566 14.310 120 HB3 LEU 27 3HB LEU 27 -4.755 17.749 15.054 121 HG LEU 27 HG LEU 27 -6.158 17.285 17.039 122 HD11 LEU 27 1HD1 LEU 27 -8.009 18.465 17.348 123 HD12 LEU 27 2HD1 LEU 27 -8.737 17.589 16.002 124 HD13 LEU 27 3HD1 LEU 27 -7.922 19.126 15.715 125 HD21 LEU 27 3HD2 LEU 27 -6.180 15.403 15.791 126 HD22 LEU 27 1HD2 LEU 27 -6.682 16.249 14.327 127 HD23 LEU 27 2HD2 LEU 27 -7.874 15.839 15.561 128 H ARG 28 H ARG 28 -2.775 19.291 15.247 129 HA ARG 28 HA ARG 28 -1.794 18.154 17.629 130 HB2 ARG 28 2HB ARG 28 0.250 18.071 16.579 131 HB3 ARG 28 3HB ARG 28 -0.813 18.224 15.186 132 HG2 ARG 28 2HG ARG 28 0.675 19.823 14.626 133 HG3 ARG 28 3HG ARG 28 -0.366 20.812 15.651 134 HD2 ARG 28 2HD ARG 28 1.368 21.246 16.967 135 HD3 ARG 28 3HD ARG 28 1.496 19.528 17.342 136 HE ARG 28 HE ARG 28 2.741 20.290 14.860 137 HH11 ARG 28 1HH1 ARG 28 3.153 19.932 18.298 138 HH12 ARG 28 2HH1 ARG 28 4.876 19.771 18.206 139 HH21 ARG 28 1HH2 ARG 28 5.008 20.080 14.726 140 HH22 ARG 28 2HH2 ARG 28 5.930 19.856 16.174 141 H HIS 29 H HIS 29 -2.320 21.427 16.666 142 HA HIS 29 HA HIS 29 -0.650 22.474 18.821 143 HB2 HIS 29 2HB HIS 29 -1.169 23.421 16.301 144 HB3 HIS 29 3HB HIS 29 -2.271 24.383 17.282 145 HD1 HIS 29 HD1 HIS 29 1.338 23.306 17.871 146 HD2 HIS 29 HD2 HIS 29 -1.021 26.724 17.758 147 HE1 HIS 29 HE1 HIS 29 2.873 25.203 18.480 148 H LYS 30 H LYS 30 -3.278 20.973 19.117 149 HA LYS 30 HA LYS 30 -5.112 21.022 20.461 150 HB2 LYS 30 2HB LYS 30 -3.825 23.401 21.800 151 HB3 LYS 30 3HB LYS 30 -4.962 22.258 22.504 152 HG2 LYS 30 2HG LYS 30 -3.217 21.154 23.302 153 HG3 LYS 30 3HG LYS 30 -2.834 20.692 21.642 154 HD2 LYS 30 2HD LYS 30 -0.857 21.674 22.206 155 HD3 LYS 30 3HD LYS 30 -1.720 23.104 21.635 156 HE2 LYS 30 2HE LYS 30 -1.936 22.323 24.505 157 HE3 LYS 30 3HE LYS 30 -0.465 23.114 23.942 158 HZ1 LYS 30 3HZ LYS 30 -3.233 24.170 23.844 159 HZ2 LYS 30 1HZ LYS 30 -1.944 24.883 23.011 160 HZ3 LYS 30 2HZ LYS 30 -1.916 24.797 24.700 161 H LYS 31 H LYS 31 -5.522 22.230 18.059 162 HA LYS 31 HA LYS 31 -6.583 24.867 18.291 163 HB2 LYS 31 2HB LYS 31 -5.782 24.028 16.150 164 HB3 LYS 31 3HB LYS 31 -6.987 22.747 16.172 165 HG2 LYS 31 2HG LYS 31 -8.403 25.149 16.471 166 HG3 LYS 31 3HG LYS 31 -7.207 25.431 15.204 167 HD2 LYS 31 2HD LYS 31 -8.147 22.953 14.548 168 HD3 LYS 31 3HD LYS 31 -9.592 23.727 15.203 169 HE2 LYS 31 2HE LYS 31 -8.009 25.387 13.365 170 HE3 LYS 31 3HE LYS 31 -8.745 23.961 12.635 171 HZ1 LYS 31 3HZ LYS 31 -10.370 25.717 14.345 172 HZ2 LYS 31 1HZ LYS 31 -10.855 24.714 13.071 173 HZ3 LYS 31 2HZ LYS 31 -10.059 26.171 12.745 174 H SER 32 H SER 32 -8.267 21.804 17.562 175 HA SER 32 HA SER 32 -10.622 22.887 18.963 176 HB2 SER 32 2HB SER 32 -11.444 20.717 17.376 177 HB3 SER 32 3HB SER 32 -11.743 22.428 17.076 178 HG SER 32 HG SER 32 -9.785 20.740 15.995 179 H ARG 33 H ARG 33 -9.753 19.599 17.945 180 HA ARG 33 HA ARG 33 -9.067 18.580 20.451 181 HB2 ARG 33 2HB ARG 33 -11.728 19.209 20.455 182 HB3 ARG 33 3HB ARG 33 -11.766 17.523 19.958 183 HG2 ARG 33 2HG ARG 33 -10.323 17.019 21.960 184 HG3 ARG 33 3HG ARG 33 -10.627 18.676 22.487 185 HD2 ARG 33 2HD ARG 33 -13.134 17.637 21.831 186 HD3 ARG 33 3HD ARG 33 -12.307 16.340 22.693 187 HE ARG 33 HE ARG 33 -13.304 18.769 23.803 188 HH11 ARG 33 1HH1 ARG 33 -10.794 16.375 24.103 189 HH12 ARG 33 2HH1 ARG 33 -10.541 16.662 25.793 190 HH21 ARG 33 1HH2 ARG 33 -12.981 19.157 26.027 191 HH22 ARG 33 2HH2 ARG 33 -11.786 18.244 26.887 192 H TYR 34 H TYR 34 -11.288 17.478 17.882 193 HA TYR 34 HA TYR 34 -9.268 15.577 16.977 194 HB2 TYR 34 2HB TYR 34 -11.346 13.899 16.892 195 HB3 TYR 34 3HB TYR 34 -10.282 14.006 18.290 196 HD1 TYR 34 HD2 TYR 34 -13.372 15.649 16.966 197 HD2 TYR 34 HD1 TYR 34 -11.278 14.171 20.362 198 HE1 TYR 34 HE2 TYR 34 -15.305 16.191 18.387 199 HE2 TYR 34 HE1 TYR 34 -13.206 14.707 21.792 200 HH TYR 34 HH TYR 34 -15.965 14.986 21.130 201 H VAL 35 H VAL 35 -9.546 14.872 14.846 202 HA VAL 35 HA VAL 35 -11.734 16.141 13.340 203 HB VAL 35 HB VAL 35 -8.891 15.970 12.341 204 HG11 VAL 35 1HG1 VAL 35 -11.470 16.807 11.192 205 HG12 VAL 35 2HG1 VAL 35 -10.104 17.877 10.869 206 HG13 VAL 35 3HG1 VAL 35 -10.025 16.177 10.403 207 HG21 VAL 35 3HG2 VAL 35 -9.456 18.635 12.610 208 HG22 VAL 35 1HG2 VAL 35 -10.198 17.944 14.053 209 HG23 VAL 35 2HG2 VAL 35 -8.485 17.680 13.731 210 H ILE 36 H ILE 36 -12.859 14.706 12.215 211 HA ILE 36 HA ILE 36 -11.638 12.103 11.621 212 HB ILE 36 HB ILE 36 -14.568 12.729 11.379 213 HG12 ILE 36 2HG1 ILE 36 -13.884 13.356 13.649 214 HG13 ILE 36 3HG1 ILE 36 -14.862 11.892 13.672 215 HG21 ILE 36 1HG2 ILE 36 -12.919 10.431 10.979 216 HG22 ILE 36 2HG2 ILE 36 -14.052 10.114 12.292 217 HG23 ILE 36 3HG2 ILE 36 -14.652 10.615 10.711 218 HD11 ILE 36 3HD1 ILE 36 -12.952 10.532 14.046 219 HD12 ILE 36 1HD1 ILE 36 -11.859 11.886 13.757 220 HD13 ILE 36 2HD1 ILE 36 -12.887 11.872 15.191 221 H MET 37 H MET 37 -11.230 11.490 9.592 222 HA MET 37 HA MET 37 -12.502 12.969 7.391 223 HB2 MET 37 2HB MET 37 -9.620 12.087 7.322 224 HB3 MET 37 3HB MET 37 -10.452 13.160 6.204 225 HG2 MET 37 2HG MET 37 -9.493 14.795 7.372 226 HG3 MET 37 3HG MET 37 -10.762 14.485 8.554 227 HE1 MET 37 3HE MET 37 -6.501 14.252 8.483 228 HE2 MET 37 1HE MET 37 -6.751 12.507 8.404 229 HE3 MET 37 2HE MET 37 -7.495 13.560 7.200 230 H HIS 38 H HIS 38 -12.696 11.810 5.410 231 HA HIS 38 HA HIS 38 -12.246 8.913 5.600 232 HB2 HIS 38 2HB HIS 38 -14.437 8.447 4.680 233 HB3 HIS 38 3HB HIS 38 -14.620 9.426 6.132 234 HD1 HIS 38 HD1 HIS 38 -16.194 9.135 3.093 235 HD2 HIS 38 HD2 HIS 38 -14.522 12.397 5.048 236 HE1 HIS 38 HE1 HIS 38 -17.297 11.159 2.088 237 H ILE 39 H ILE 39 -12.392 7.825 3.458 238 HA ILE 39 HA ILE 39 -10.956 9.400 1.494 239 HB ILE 39 HB ILE 39 -11.723 6.479 1.479 240 HG12 ILE 39 2HG1 ILE 39 -9.103 7.865 2.088 241 HG13 ILE 39 3HG1 ILE 39 -10.132 7.033 3.249 242 HG21 ILE 39 1HG2 ILE 39 -11.459 7.328 -0.782 243 HG22 ILE 39 2HG2 ILE 39 -9.895 8.020 -0.357 244 HG23 ILE 39 3HG2 ILE 39 -10.112 6.270 -0.361 245 HD11 ILE 39 3HD1 ILE 39 -8.738 5.324 2.886 246 HD12 ILE 39 1HD1 ILE 39 -9.713 5.070 1.438 247 HD13 ILE 39 2HD1 ILE 39 -8.194 5.962 1.334 248 H VAL 40 H VAL 40 -11.852 10.354 -0.204 249 HA VAL 40 HA VAL 40 -14.556 9.512 -1.021 250 HB VAL 40 HB VAL 40 -13.277 12.236 -1.295 251 HG11 VAL 40 1HG1 VAL 40 -14.685 12.202 -3.102 252 HG12 VAL 40 2HG1 VAL 40 -15.798 11.056 -2.353 253 HG13 VAL 40 3HG1 VAL 40 -15.799 12.747 -1.848 254 HG21 VAL 40 3HG2 VAL 40 -15.387 12.725 0.214 255 HG22 VAL 40 1HG2 VAL 40 -15.162 11.036 0.668 256 HG23 VAL 40 2HG2 VAL 40 -13.859 12.197 0.918 257 H ASP 41 H ASP 41 -14.971 9.096 -3.140 258 HA ASP 41 HA ASP 41 -14.553 8.475 -5.290 259 HB2 ASP 41 2HB ASP 41 -14.104 11.049 -5.275 260 HB3 ASP 41 3HB ASP 41 -12.417 10.575 -5.459 261 H GLN 42 H GLN 42 -12.858 7.429 -3.038 262 HA GLN 42 HA GLN 42 -10.894 6.277 -2.687 263 HB2 GLN 42 2HB GLN 42 -10.623 4.435 -4.290 264 HB3 GLN 42 3HB GLN 42 -12.308 4.662 -3.841 265 HG2 GLN 42 2HG GLN 42 -12.845 5.620 -5.915 266 HG3 GLN 42 3HG GLN 42 -11.149 5.861 -6.332 267 HE21 GLN 42 1HE2 GLN 42 -13.802 3.964 -6.833 268 HE22 GLN 42 2HE2 GLN 42 -13.026 2.549 -7.449 269 H LYS 43 H LYS 43 -10.183 8.775 -3.471 270 HA LYS 43 HA LYS 43 -7.614 8.323 -4.631 271 HB2 LYS 43 2HB LYS 43 -9.085 8.426 -6.659 272 HB3 LYS 43 3HB LYS 43 -9.511 10.071 -6.207 273 HG2 LYS 43 2HG LYS 43 -7.305 10.842 -6.564 274 HG3 LYS 43 3HG LYS 43 -6.677 9.197 -6.685 275 HD2 LYS 43 2HD LYS 43 -8.521 9.149 -8.652 276 HD3 LYS 43 3HD LYS 43 -8.065 10.854 -8.694 277 HE2 LYS 43 2HE LYS 43 -6.356 10.205 -9.976 278 HE3 LYS 43 3HE LYS 43 -5.641 9.572 -8.493 279 HZ1 LYS 43 3HZ LYS 43 -6.000 8.071 -10.608 280 HZ2 LYS 43 1HZ LYS 43 -7.533 7.863 -9.923 281 HZ3 LYS 43 2HZ LYS 43 -6.151 7.444 -9.044 282 H SER 44 H SER 44 -10.098 10.638 -3.679 283 HA SER 44 HA SER 44 -7.968 12.353 -2.579 284 HB2 SER 44 2HB SER 44 -10.407 13.048 -4.145 285 HB3 SER 44 3HB SER 44 -9.919 14.150 -2.857 286 HG SER 44 HG SER 44 -8.997 14.542 -5.008 287 H ILE 45 H ILE 45 -8.041 12.667 -0.454 288 HA ILE 45 HA ILE 45 -10.211 11.542 1.083 289 HB ILE 45 HB ILE 45 -7.800 13.049 2.097 290 HG12 ILE 45 2HG1 ILE 45 -8.153 10.064 1.749 291 HG13 ILE 45 3HG1 ILE 45 -7.187 11.087 0.691 292 HG21 ILE 45 1HG2 ILE 45 -10.061 12.284 3.439 293 HG22 ILE 45 2HG2 ILE 45 -8.965 10.936 3.739 294 HG23 ILE 45 3HG2 ILE 45 -8.485 12.577 4.173 295 HD11 ILE 45 3HD1 ILE 45 -6.346 9.751 2.976 296 HD12 ILE 45 1HD1 ILE 45 -5.451 10.958 2.054 297 HD13 ILE 45 2HD1 ILE 45 -6.424 11.450 3.440 298 H ALA 46 H ALA 46 -11.841 12.605 2.025 299 HA ALA 46 HA ALA 46 -11.724 15.549 2.098 300 HB1 ALA 46 1HB ALA 46 -13.768 15.785 1.142 301 HB2 ALA 46 2HB ALA 46 -13.301 14.266 0.377 302 HB3 ALA 46 3HB ALA 46 -14.368 14.254 1.781 303 H VAL 47 H VAL 47 -13.310 16.500 3.661 304 HA VAL 47 HA VAL 47 -13.039 15.161 6.201 305 HB VAL 47 HB VAL 47 -12.721 17.615 5.962 306 HG11 VAL 47 1HG1 VAL 47 -15.032 17.540 4.496 307 HG12 VAL 47 2HG1 VAL 47 -15.578 18.218 6.031 308 HG13 VAL 47 3HG1 VAL 47 -14.274 18.998 5.135 309 HG21 VAL 47 3HG2 VAL 47 -14.072 18.230 7.971 310 HG22 VAL 47 1HG2 VAL 47 -14.878 16.667 7.841 311 HG23 VAL 47 2HG2 VAL 47 -13.144 16.742 8.151 312 H LYS 48 H LYS 48 -14.591 14.177 7.376 313 HA LYS 48 HA LYS 48 -17.239 13.911 6.125 314 HB2 LYS 48 2HB LYS 48 -15.487 11.959 6.958 315 HB3 LYS 48 3HB LYS 48 -16.598 12.072 8.316 316 HG2 LYS 48 2HG LYS 48 -17.802 11.942 5.621 317 HG3 LYS 48 3HG LYS 48 -17.017 10.480 6.221 318 HD2 LYS 48 2HD LYS 48 -18.435 11.177 8.401 319 HD3 LYS 48 3HD LYS 48 -19.479 11.831 7.137 320 HE2 LYS 48 2HE LYS 48 -18.506 9.158 6.527 321 HE3 LYS 48 3HE LYS 48 -19.428 9.219 8.028 322 HZ1 LYS 48 3HZ LYS 48 -20.838 10.731 6.197 323 HZ2 LYS 48 1HZ LYS 48 -21.250 9.202 6.793 324 HZ3 LYS 48 2HZ LYS 48 -20.363 9.340 5.359 325 H THR 49 H THR 49 -15.692 14.182 9.320 326 HA THR 49 HA THR 49 -17.724 16.004 10.224 327 HB THR 49 HB THR 49 -17.530 13.319 11.602 328 HG1 THR 49 HG1 THR 49 -19.709 14.430 10.138 329 HG21 THR 49 3HG2 THR 49 -19.225 15.759 12.135 330 HG22 THR 49 1HG2 THR 49 -17.986 15.075 13.186 331 HG23 THR 49 2HG2 THR 49 -19.481 14.187 12.891 332 H ILE 50 H ILE 50 -16.338 17.480 10.993 333 HA ILE 50 HA ILE 50 -14.051 16.620 12.599 334 HB ILE 50 HB ILE 50 -13.713 18.281 10.774 335 HG12 ILE 50 2HG1 ILE 50 -13.150 19.435 13.511 336 HG13 ILE 50 3HG1 ILE 50 -12.238 18.104 12.808 337 HG21 ILE 50 1HG2 ILE 50 -14.519 20.520 10.970 338 HG22 ILE 50 2HG2 ILE 50 -15.900 19.436 11.127 339 HG23 ILE 50 3HG2 ILE 50 -15.205 20.192 12.561 340 HD11 ILE 50 3HD1 ILE 50 -11.164 20.332 12.588 341 HD12 ILE 50 1HD1 ILE 50 -11.424 19.497 11.057 342 HD13 ILE 50 2HD1 ILE 50 -12.495 20.814 11.536 343 H GLY 51 H GLY 51 -13.668 17.365 14.697 344 HA2 GLY 51 2HA GLY 51 -16.092 18.309 16.086 345 HA3 GLY 51 3HA GLY 51 -14.823 17.343 16.824 346 H GLU 52 H GLU 52 -15.390 19.352 18.316 347 HA GLU 52 HA GLU 52 -13.073 20.887 18.508 348 HB2 GLU 52 2HB GLU 52 -14.115 23.155 17.989 349 HB3 GLU 52 3HB GLU 52 -13.670 22.154 16.613 350 HG2 GLU 52 2HG GLU 52 -15.940 21.533 16.236 351 HG3 GLU 52 3HG GLU 52 -16.453 22.292 17.742 352 H ARG 53 H ARG 53 -13.774 19.797 20.557 353 HA ARG 53 HA ARG 53 -14.609 19.848 22.676 354 HB2 ARG 53 2HB ARG 53 -14.804 22.833 22.309 355 HB3 ARG 53 3HB ARG 53 -14.502 21.940 23.794 356 HG2 ARG 53 2HG ARG 53 -12.609 22.050 21.456 357 HG3 ARG 53 3HG ARG 53 -12.501 23.075 22.889 358 HD2 ARG 53 2HD ARG 53 -12.548 20.787 24.158 359 HD3 ARG 53 3HD ARG 53 -12.017 20.143 22.605 360 HE ARG 53 HE ARG 53 -9.959 21.087 22.954 361 HH11 ARG 53 1HH1 ARG 53 -12.248 22.467 25.185 362 HH12 ARG 53 2HH1 ARG 53 -11.045 23.317 26.097 363 HH21 ARG 53 1HH2 ARG 53 -8.366 22.201 24.147 364 HH22 ARG 53 2HH2 ARG 53 -8.837 23.165 25.505 365 H GLY 54 H GLY 54 -16.532 19.515 20.554 366 HA2 GLY 54 2HA GLY 54 -18.917 20.240 22.065 367 HA3 GLY 54 3HA GLY 54 -18.808 20.884 20.434 368 H ALA 55 H ALA 55 -17.561 18.654 19.211 369 HA ALA 55 HA ALA 55 -19.763 17.138 18.450 370 HB1 ALA 55 1HB ALA 55 -17.239 15.703 18.196 371 HB2 ALA 55 2HB ALA 55 -18.359 16.258 16.952 372 HB3 ALA 55 3HB ALA 55 -17.158 17.367 17.615 373 H ASN 56 H ASN 56 -20.949 15.951 19.809 374 HA ASN 56 HA ASN 56 -19.884 14.665 22.119 375 HB2 ASN 56 2HB ASN 56 -22.543 14.855 20.801 376 HB3 ASN 56 3HB ASN 56 -22.281 13.489 21.881 377 HD21 ASN 56 1HD2 ASN 56 -20.978 14.312 23.944 378 HD22 ASN 56 2HD2 ASN 56 -21.735 15.647 24.738 379 H PHE 57 H PHE 57 -20.126 12.322 22.545 380 HA PHE 57 HA PHE 57 -18.734 10.805 20.613 381 HB2 PHE 57 2HB PHE 57 -19.052 8.917 22.134 382 HB3 PHE 57 3HB PHE 57 -18.584 10.359 23.030 383 HD1 PHE 57 HD1 PHE 57 -20.163 11.488 24.485 384 HD2 PHE 57 HD2 PHE 57 -21.243 7.954 22.374 385 HE1 PHE 57 HE1 PHE 57 -22.131 11.226 25.938 386 HE2 PHE 57 HE2 PHE 57 -23.214 7.687 23.823 387 HZ PHE 57 HZ PHE 57 -23.660 9.324 25.607 388 H ASP 58 H ASP 58 -22.135 11.029 21.486 389 HA ASP 58 HA ASP 58 -23.079 8.820 20.038 390 HB2 ASP 58 2HB ASP 58 -24.467 9.954 21.684 391 HB3 ASP 58 3HB ASP 58 -24.465 11.423 20.712 392 H GLN 59 H GLN 59 -22.726 12.226 19.097 393 HA GLN 59 HA GLN 59 -23.732 11.861 16.465 394 HB2 GLN 59 2HB GLN 59 -21.935 14.047 17.529 395 HB3 GLN 59 3HB GLN 59 -22.854 14.104 16.031 396 HG2 GLN 59 2HG GLN 59 -24.897 13.699 17.588 397 HG3 GLN 59 3HG GLN 59 -23.812 14.285 18.847 398 HE21 GLN 59 1HE2 GLN 59 -25.766 15.847 18.747 399 HE22 GLN 59 2HE2 GLN 59 -25.516 17.270 17.800 400 H PHE 60 H PHE 60 -20.571 11.592 17.925 401 HA PHE 60 HA PHE 60 -19.039 11.646 15.551 402 HB2 PHE 60 2HB PHE 60 -17.896 11.982 17.613 403 HB3 PHE 60 3HB PHE 60 -18.519 10.477 18.283 404 HD1 PHE 60 HD1 PHE 60 -16.944 11.143 14.982 405 HD2 PHE 60 HD2 PHE 60 -16.654 9.191 18.753 406 HE1 PHE 60 HE1 PHE 60 -14.921 9.971 14.215 407 HE2 PHE 60 HE2 PHE 60 -14.631 8.016 17.993 408 HZ PHE 60 HZ PHE 60 -13.761 8.406 15.722 409 H ILE 61 H ILE 61 -20.400 8.968 17.442 410 HA ILE 61 HA ILE 61 -19.409 6.931 15.716 411 HB ILE 61 HB ILE 61 -21.682 6.817 17.704 412 HG12 ILE 61 2HG1 ILE 61 -19.500 7.437 18.693 413 HG13 ILE 61 3HG1 ILE 61 -20.046 5.852 19.231 414 HG21 ILE 61 1HG2 ILE 61 -22.085 4.895 16.585 415 HG22 ILE 61 2HG2 ILE 61 -20.455 4.813 15.919 416 HG23 ILE 61 3HG2 ILE 61 -20.755 4.301 17.579 417 HD11 ILE 61 3HD1 ILE 61 -17.996 6.372 17.090 418 HD12 ILE 61 1HD1 ILE 61 -17.663 5.869 18.747 419 HD13 ILE 61 2HD1 ILE 61 -18.530 4.789 17.654 420 H GLU 62 H GLU 62 -22.548 8.548 16.055 421 HA GLU 62 HA GLU 62 -23.963 7.041 14.171 422 HB2 GLU 62 2HB GLU 62 -24.918 8.702 15.812 423 HB3 GLU 62 3HB GLU 62 -24.370 9.979 14.735 424 HG2 GLU 62 2HG GLU 62 -26.645 9.648 14.255 425 HG3 GLU 62 3HG GLU 62 -25.754 8.898 12.932 426 H ALA 63 H ALA 63 -21.937 9.908 13.789 427 HA ALA 63 HA ALA 63 -22.501 10.272 11.020 428 HB1 ALA 63 1HB ALA 63 -21.567 11.974 12.706 429 HB2 ALA 63 2HB ALA 63 -20.001 11.243 12.356 430 HB3 ALA 63 3HB ALA 63 -20.932 11.992 11.060 431 H ILE 64 H ILE 64 -19.660 8.969 12.738 432 HA ILE 64 HA ILE 64 -18.331 8.135 10.373 433 HB ILE 64 HB ILE 64 -17.215 8.555 12.580 434 HG12 ILE 64 2HG1 ILE 64 -16.714 5.838 11.343 435 HG13 ILE 64 3HG1 ILE 64 -16.097 7.366 10.724 436 HG21 ILE 64 1HG2 ILE 64 -17.366 7.095 14.363 437 HG22 ILE 64 2HG2 ILE 64 -19.024 7.110 13.763 438 HG23 ILE 64 3HG2 ILE 64 -17.953 5.768 13.361 439 HD11 ILE 64 3HD1 ILE 64 -14.342 7.230 12.054 440 HD12 ILE 64 1HD1 ILE 64 -15.381 7.107 13.473 441 HD13 ILE 64 2HD1 ILE 64 -14.909 5.651 12.596 442 H ASP 65 H ASP 65 -18.090 6.082 9.489 443 HA ASP 65 HA ASP 65 -20.083 4.090 10.355 444 HB2 ASP 65 2HB ASP 65 -19.202 4.787 7.547 445 HB3 ASP 65 3HB ASP 65 -20.195 3.388 7.951 446 H LYS 66 H LYS 66 -19.171 2.319 11.129 447 HA LYS 66 HA LYS 66 -16.401 1.754 10.843 448 HB2 LYS 66 2HB LYS 66 -17.851 1.122 12.807 449 HB3 LYS 66 3HB LYS 66 -18.553 -0.138 11.800 450 HG2 LYS 66 2HG LYS 66 -16.127 -0.931 11.474 451 HG3 LYS 66 3HG LYS 66 -15.770 0.078 12.878 452 HD2 LYS 66 2HD LYS 66 -16.466 -1.560 14.209 453 HD3 LYS 66 3HD LYS 66 -18.076 -1.440 13.495 454 HE2 LYS 66 2HE LYS 66 -17.457 -3.021 11.766 455 HE3 LYS 66 3HE LYS 66 -15.807 -3.087 12.383 456 HZ1 LYS 66 3HZ LYS 66 -17.110 -4.984 13.119 457 HZ2 LYS 66 1HZ LYS 66 -18.234 -3.958 13.857 458 HZ3 LYS 66 2HZ LYS 66 -16.647 -4.032 14.438 459 H ASN 67 H ASN 67 -15.937 1.534 8.653 460 HA ASN 67 HA ASN 67 -16.049 -1.044 7.584 461 HB2 ASN 67 2HB ASN 67 -18.373 -0.768 7.152 462 HB3 ASN 67 3HB ASN 67 -18.137 0.863 6.530 463 HD21 ASN 67 1HD2 ASN 67 -18.230 1.036 4.421 464 HD22 ASN 67 2HD2 ASN 67 -17.848 -0.200 3.276 465 H VAL 68 H VAL 68 -16.559 2.050 5.904 466 HA VAL 68 HA VAL 68 -14.500 1.674 4.047 467 HB VAL 68 HB VAL 68 -14.646 4.185 3.728 468 HG11 VAL 68 1HG1 VAL 68 -17.132 4.005 3.008 469 HG12 VAL 68 2HG1 VAL 68 -15.933 2.961 2.242 470 HG13 VAL 68 3HG1 VAL 68 -16.977 2.323 3.513 471 HG21 VAL 68 3HG2 VAL 68 -15.444 4.446 6.182 472 HG22 VAL 68 1HG2 VAL 68 -16.142 5.480 4.936 473 HG23 VAL 68 2HG2 VAL 68 -17.039 4.080 5.524 474 HA PRO 69 HA PRO 69 -10.776 2.699 6.134 475 HB2 PRO 69 2HB PRO 69 -9.380 3.929 4.158 476 HB3 PRO 69 3HB PRO 69 -9.679 2.188 4.181 477 HG2 PRO 69 2HG PRO 69 -11.109 4.336 2.662 478 HG3 PRO 69 3HG PRO 69 -10.596 2.729 2.113 479 HD2 PRO 69 2HD PRO 69 -13.146 3.275 2.840 480 HD3 PRO 69 3HD PRO 69 -12.403 1.681 3.086 481 H CYS 70 H CYS 70 -11.747 4.240 7.599 482 HA CYS 70 HA CYS 70 -11.337 7.050 6.823 483 HB2 CYS 70 2HB CYS 70 -12.966 7.672 8.463 484 HB3 CYS 70 3HB CYS 70 -13.651 6.353 7.521 485 HG CYS 70 HG CYS 70 -13.458 4.443 9.434 486 H TYR 71 H TYR 71 -10.441 8.497 8.414 487 HA TYR 71 HA TYR 71 -8.791 7.155 10.449 488 HB2 TYR 71 2HB TYR 71 -7.893 9.450 8.695 489 HB3 TYR 71 3HB TYR 71 -6.934 8.645 9.932 490 HD1 TYR 71 HD2 TYR 71 -8.413 8.304 6.580 491 HD2 TYR 71 HD1 TYR 71 -5.886 6.527 9.505 492 HE1 TYR 71 HE2 TYR 71 -7.598 6.706 4.897 493 HE2 TYR 71 HE1 TYR 71 -5.063 4.925 7.830 494 HH TYR 71 HH TYR 71 -4.919 4.577 5.530 495 H ALA 72 H ALA 72 -8.904 8.016 12.424 496 HA ALA 72 HA ALA 72 -10.167 10.665 12.705 497 HB1 ALA 72 1HB ALA 72 -10.334 8.269 14.526 498 HB2 ALA 72 2HB ALA 72 -10.965 9.868 14.919 499 HB3 ALA 72 3HB ALA 72 -11.633 8.968 13.558 500 H ALA 73 H ALA 73 -8.988 12.207 13.628 501 HA ALA 73 HA ALA 73 -6.520 11.428 15.026 502 HB1 ALA 73 1HB ALA 73 -6.052 12.778 13.116 503 HB2 ALA 73 2HB ALA 73 -7.258 13.973 13.595 504 HB3 ALA 73 3HB ALA 73 -5.790 13.770 14.551 505 H PHE 74 H PHE 74 -6.151 12.032 17.092 506 HA PHE 74 HA PHE 74 -7.998 13.923 18.361 507 HB2 PHE 74 2HB PHE 74 -8.917 11.757 18.898 508 HB3 PHE 74 3HB PHE 74 -7.335 11.157 19.384 509 HD1 PHE 74 HD1 PHE 74 -9.055 14.351 20.209 510 HD2 PHE 74 HD2 PHE 74 -7.502 10.652 21.632 511 HE1 PHE 74 HE1 PHE 74 -9.504 15.057 22.523 512 HE2 PHE 74 HE2 PHE 74 -7.950 11.351 23.948 513 HZ PHE 74 HZ PHE 74 -8.952 13.555 24.396 514 H ASP 75 H ASP 75 -6.972 15.388 19.555 515 HA ASP 75 HA ASP 75 -4.125 14.996 20.097 516 HB2 ASP 75 2HB ASP 75 -5.023 17.077 18.940 517 HB3 ASP 75 3HB ASP 75 -5.714 17.530 20.496 518 H PHE 76 H PHE 76 -3.391 14.528 22.059 519 HA PHE 76 HA PHE 76 -4.965 15.295 24.407 520 HB2 PHE 76 2HB PHE 76 -5.187 12.775 23.526 521 HB3 PHE 76 3HB PHE 76 -3.714 12.598 24.474 522 HD1 PHE 76 HD1 PHE 76 -6.933 14.434 24.938 523 HD2 PHE 76 HD2 PHE 76 -4.115 11.667 26.524 524 HE1 PHE 76 HE1 PHE 76 -8.282 14.239 26.986 525 HE2 PHE 76 HE2 PHE 76 -5.460 11.466 28.574 526 HZ PHE 76 HZ PHE 76 -7.547 12.752 28.807 527 H GLU 77 H GLU 77 -3.768 15.968 26.104 528 HA GLU 77 HA GLU 77 -0.900 16.181 25.702 529 HB2 GLU 77 2HB GLU 77 -0.998 17.618 27.749 530 HB3 GLU 77 3HB GLU 77 -1.996 18.186 26.418 531 HG2 GLU 77 2HG GLU 77 -3.818 18.116 27.668 532 HG3 GLU 77 3HG GLU 77 -3.511 16.440 28.119 533 H TYR 78 H TYR 78 0.667 15.423 27.134 534 HA TYR 78 HA TYR 78 -0.191 13.648 29.291 535 HB2 TYR 78 2HB TYR 78 0.626 12.667 26.783 536 HB3 TYR 78 3HB TYR 78 1.992 12.413 27.864 537 HD1 TYR 78 HD1 TYR 78 -1.483 11.513 27.143 538 HD2 TYR 78 HD2 TYR 78 1.820 10.893 29.752 539 HE1 TYR 78 HE1 TYR 78 -2.590 9.517 28.061 540 HE2 TYR 78 HE2 TYR 78 0.723 8.895 30.676 541 HH TYR 78 HH TYR 78 -1.379 7.871 30.865 542 H THR 79 H THR 79 1.909 12.739 30.393 543 HA THR 79 HA THR 79 3.827 14.968 30.623 544 HB THR 79 HB THR 79 2.462 14.894 32.621 545 HG1 THR 79 HG1 THR 79 4.837 13.637 33.460 546 HG21 THR 79 3HG2 THR 79 2.922 11.992 32.372 547 HG22 THR 79 1HG2 THR 79 1.538 12.868 33.023 548 HG23 THR 79 2HG2 THR 79 2.978 12.635 34.013 549 H THR 80 H THR 80 4.451 13.124 28.795 550 HA THR 80 HA THR 80 5.953 10.933 29.885 551 HB THR 80 HB THR 80 4.935 10.705 27.684 552 HG1 THR 80 HG1 THR 80 6.808 9.496 27.976 553 HG21 THR 80 3HG2 THR 80 5.540 13.264 27.222 554 HG22 THR 80 1HG2 THR 80 5.259 12.110 25.920 555 HG23 THR 80 2HG2 THR 80 6.908 12.512 26.401 556 H ASN 81 H ASN 81 6.716 14.103 28.513 557 HA ASN 81 HA ASN 81 9.557 13.720 28.750 558 HB2 ASN 81 2HB ASN 81 8.490 15.184 27.018 559 HB3 ASN 81 3HB ASN 81 8.044 16.301 28.304 560 HD21 ASN 81 1HD2 ASN 81 10.416 15.392 26.104 561 HD22 ASN 81 2HD2 ASN 81 11.698 16.394 26.686 562 H ASP 82 H ASP 82 7.022 15.298 30.608 563 HA ASP 82 HA ASP 82 8.327 15.094 33.054 564 HB2 ASP 82 2HB ASP 82 9.955 16.681 32.368 565 HB3 ASP 82 3HB ASP 82 8.735 17.732 31.652 566 H GLY 83 H GLY 83 6.206 17.181 31.128 567 HA2 GLY 83 2HA GLY 83 3.955 16.642 32.776 568 HA3 GLY 83 3HA GLY 83 4.620 18.225 33.151 569 HA PRO 84 HA PRO 84 2.414 20.029 29.827 570 HB2 PRO 84 2HB PRO 84 4.168 21.873 28.882 571 HB3 PRO 84 3HB PRO 84 3.334 22.047 30.431 572 HG2 PRO 84 2HG PRO 84 6.116 21.093 29.876 573 HG3 PRO 84 3HG PRO 84 5.542 22.193 31.142 574 HD2 PRO 84 2HD PRO 84 6.075 19.581 31.614 575 HD3 PRO 84 3HD PRO 84 4.807 20.468 32.483 576 H ARG 85 H ARG 85 2.722 17.829 28.718 577 HA ARG 85 HA ARG 85 4.279 18.215 26.246 578 HB2 ARG 85 2HB ARG 85 4.564 16.177 28.123 579 HB3 ARG 85 3HB ARG 85 3.629 15.444 26.826 580 HG2 ARG 85 2HG ARG 85 6.125 16.985 26.236 581 HG3 ARG 85 3HG ARG 85 6.191 15.295 26.741 582 HD2 ARG 85 2HD ARG 85 5.687 14.628 24.685 583 HD3 ARG 85 3HD ARG 85 4.207 15.585 24.711 584 HE ARG 85 HE ARG 85 6.198 17.384 24.177 585 HH11 ARG 85 1HH1 ARG 85 5.057 14.437 22.718 586 HH12 ARG 85 2HH1 ARG 85 5.517 14.900 21.113 587 HH21 ARG 85 1HH2 ARG 85 6.808 18.005 22.069 588 HH22 ARG 85 2HH2 ARG 85 6.513 16.930 20.745 589 H ASP 86 H ASP 86 3.351 17.505 24.300 590 HA ASP 86 HA ASP 86 0.483 16.854 24.426 591 HB2 ASP 86 2HB ASP 86 1.689 18.649 22.321 592 HB3 ASP 86 3HB ASP 86 -0.017 18.364 22.654 593 H LYS 87 H LYS 87 -0.187 15.244 23.126 594 HA LYS 87 HA LYS 87 1.540 14.353 20.938 595 HB2 LYS 87 2HB LYS 87 1.304 13.003 23.445 596 HB3 LYS 87 3HB LYS 87 0.532 12.017 22.210 597 HG2 LYS 87 2HG LYS 87 3.137 13.111 21.437 598 HG3 LYS 87 3HG LYS 87 3.180 11.985 22.795 599 HD2 LYS 87 2HD LYS 87 2.868 10.245 21.441 600 HD3 LYS 87 3HD LYS 87 1.448 11.000 20.714 601 HE2 LYS 87 2HE LYS 87 2.798 10.857 18.877 602 HE3 LYS 87 3HE LYS 87 3.279 12.443 19.479 603 HZ1 LYS 87 3HZ LYS 87 4.864 10.554 20.765 604 HZ2 LYS 87 1HZ LYS 87 5.342 11.695 19.611 605 HZ3 LYS 87 2HZ LYS 87 4.865 10.148 19.123 606 H LEU 88 H LEU 88 0.437 13.697 19.181 607 HA LEU 88 HA LEU 88 -2.490 13.524 19.423 608 HB2 LEU 88 2HB LEU 88 -1.038 15.182 17.850 609 HB3 LEU 88 3HB LEU 88 -1.290 13.827 16.752 610 HG LEU 88 HG LEU 88 -3.584 15.141 18.177 611 HD11 LEU 88 1HD1 LEU 88 -1.894 16.413 16.323 612 HD12 LEU 88 2HD1 LEU 88 -3.459 16.961 16.921 613 HD13 LEU 88 3HD1 LEU 88 -3.369 15.985 15.455 614 HD21 LEU 88 3HD2 LEU 88 -4.895 13.861 16.879 615 HD22 LEU 88 1HD2 LEU 88 -3.452 12.860 16.711 616 HD23 LEU 88 2HD2 LEU 88 -3.854 14.045 15.467 617 H ILE 89 H ILE 89 -3.530 11.711 18.844 618 HA ILE 89 HA ILE 89 -1.926 9.552 17.640 619 HB ILE 89 HB ILE 89 -3.695 8.036 18.707 620 HG12 ILE 89 2HG1 ILE 89 -5.059 10.234 19.268 621 HG13 ILE 89 3HG1 ILE 89 -5.108 8.837 20.338 622 HG21 ILE 89 1HG2 ILE 89 -2.533 8.334 21.014 623 HG22 ILE 89 2HG2 ILE 89 -1.581 7.845 19.613 624 HG23 ILE 89 3HG2 ILE 89 -1.548 9.521 20.159 625 HD11 ILE 89 3HD1 ILE 89 -4.731 11.239 21.283 626 HD12 ILE 89 1HD1 ILE 89 -3.855 9.862 21.953 627 HD13 ILE 89 2HD1 ILE 89 -3.059 10.941 20.806 628 H LEU 90 H LEU 90 -3.127 8.005 16.306 629 HA LEU 90 HA LEU 90 -5.547 9.116 15.072 630 HB2 LEU 90 2HB LEU 90 -3.638 9.759 13.688 631 HB3 LEU 90 3HB LEU 90 -3.147 8.070 13.576 632 HG LEU 90 HG LEU 90 -5.873 8.728 12.626 633 HD11 LEU 90 1HD1 LEU 90 -3.370 9.612 11.207 634 HD12 LEU 90 2HD1 LEU 90 -4.742 10.606 11.696 635 HD13 LEU 90 3HD1 LEU 90 -4.931 9.411 10.413 636 HD21 LEU 90 3HD2 LEU 90 -4.100 6.574 12.495 637 HD22 LEU 90 1HD2 LEU 90 -4.155 7.236 10.861 638 HD23 LEU 90 2HD2 LEU 90 -5.646 6.739 11.662 639 H ILE 91 H ILE 91 -7.114 7.656 14.913 640 HA ILE 91 HA ILE 91 -6.376 4.803 14.997 641 HB ILE 91 HB ILE 91 -8.923 6.054 16.031 642 HG12 ILE 91 2HG1 ILE 91 -7.684 4.932 18.188 643 HG13 ILE 91 3HG1 ILE 91 -6.302 5.525 17.273 644 HG21 ILE 91 1HG2 ILE 91 -7.969 3.262 15.712 645 HG22 ILE 91 2HG2 ILE 91 -8.903 3.654 17.155 646 HG23 ILE 91 3HG2 ILE 91 -9.594 3.929 15.556 647 HD11 ILE 91 3HD1 ILE 91 -8.151 6.965 18.910 648 HD12 ILE 91 1HD1 ILE 91 -6.655 7.517 18.156 649 HD13 ILE 91 2HD1 ILE 91 -8.176 7.602 17.266 650 H SER 92 H SER 92 -7.033 3.550 13.369 651 HA SER 92 HA SER 92 -8.922 4.700 11.427 652 HB2 SER 92 2HB SER 92 -6.407 3.908 10.907 653 HB3 SER 92 3HB SER 92 -7.239 2.372 10.665 654 HG SER 92 HG SER 92 -8.020 4.807 9.437 655 H TRP 93 H TRP 93 -10.713 3.591 10.816 656 HA TRP 93 HA TRP 93 -11.303 1.145 12.330 657 HB2 TRP 93 2HB TRP 93 -13.071 3.226 11.050 658 HB3 TRP 93 3HB TRP 93 -13.698 1.674 11.600 659 HD1 TRP 93 HD1 TRP 93 -11.009 3.218 13.755 660 HE1 TRP 93 HE1 TRP 93 -12.059 4.082 15.940 661 HE3 TRP 93 HE3 TRP 93 -15.948 2.716 12.535 662 HZ2 TRP 93 HZ2 TRP 93 -14.640 4.495 17.006 663 HZ3 TRP 93 HZ3 TRP 93 -17.645 3.367 14.193 664 HH2 TRP 93 HH2 TRP 93 -17.002 4.238 16.382 665 H ASN 94 H ASN 94 -11.033 -0.698 11.271 666 HA ASN 94 HA ASN 94 -12.219 -1.130 8.702 667 HB2 ASN 94 2HB ASN 94 -9.544 -0.220 8.728 668 HB3 ASN 94 3HB ASN 94 -9.482 -1.939 8.350 669 HD21 ASN 94 1HD2 ASN 94 -11.380 0.936 7.500 670 HD22 ASN 94 2HD2 ASN 94 -11.466 0.588 5.809 671 HA PRO 95 HA PRO 95 -12.142 -4.874 11.308 672 HB2 PRO 95 2HB PRO 95 -14.510 -5.818 10.374 673 HB3 PRO 95 3HB PRO 95 -14.397 -4.614 11.663 674 HG2 PRO 95 2HG PRO 95 -14.944 -4.219 8.747 675 HG3 PRO 95 3HG PRO 95 -15.725 -3.457 10.145 676 HD2 PRO 95 2HD PRO 95 -13.818 -2.210 8.682 677 HD3 PRO 95 3HD PRO 95 -14.021 -1.931 10.424 678 H ASP 96 H ASP 96 -11.377 -6.844 10.765 679 HA ASP 96 HA ASP 96 -10.366 -7.366 8.219 680 HB2 ASP 96 2HB ASP 96 -9.924 -8.461 10.608 681 HB3 ASP 96 3HB ASP 96 -11.041 -9.671 9.982 682 H SER 97 H SER 97 -13.523 -7.846 9.508 683 HA SER 97 HA SER 97 -14.270 -9.577 7.259 684 HB2 SER 97 2HB SER 97 -15.440 -9.065 9.964 685 HB3 SER 97 3HB SER 97 -16.507 -9.596 8.664 686 HG SER 97 HG SER 97 -14.146 -10.925 9.515 687 H GLY 98 H GLY 98 -13.868 -6.493 7.489 688 HA2 GLY 98 2HA GLY 98 -16.476 -5.448 6.843 689 HA3 GLY 98 3HA GLY 98 -14.956 -4.568 6.795 690 H ALA 99 H ALA 99 -13.695 -4.610 4.909 691 HA ALA 99 HA ALA 99 -14.807 -5.948 2.565 692 HB1 ALA 99 1HB ALA 99 -14.202 -3.467 1.536 693 HB2 ALA 99 2HB ALA 99 -15.820 -4.086 1.868 694 HB3 ALA 99 3HB ALA 99 -14.994 -3.089 3.066 695 HA PRO 100 HA PRO 100 -10.584 -6.561 1.524 696 HB2 PRO 100 2HB PRO 100 -10.750 -6.723 -1.181 697 HB3 PRO 100 3HB PRO 100 -11.328 -8.001 -0.105 698 HG2 PRO 100 2HG PRO 100 -12.877 -5.845 -1.488 699 HG3 PRO 100 3HG PRO 100 -13.276 -7.562 -1.296 700 HD2 PRO 100 2HD PRO 100 -14.368 -5.629 0.255 701 HD3 PRO 100 3HD PRO 100 -14.051 -7.270 0.855 702 H ARG 101 H ARG 101 -12.203 -4.215 -0.624 703 HA ARG 101 HA ARG 101 -9.865 -2.871 -1.418 704 HB2 ARG 101 2HB ARG 101 -11.402 -1.047 -2.108 705 HB3 ARG 101 3HB ARG 101 -11.909 -2.631 -2.680 706 HG2 ARG 101 2HG ARG 101 -13.500 -2.739 -0.770 707 HG3 ARG 101 3HG ARG 101 -13.063 -1.075 -0.379 708 HD2 ARG 101 2HD ARG 101 -14.329 -0.244 -2.025 709 HD3 ARG 101 3HD ARG 101 -13.763 -1.447 -3.182 710 HE ARG 101 HE ARG 101 -16.207 -1.497 -1.737 711 HH11 ARG 101 1HH1 ARG 101 -13.695 -3.548 -3.003 712 HH12 ARG 101 2HH1 ARG 101 -14.727 -4.930 -3.169 713 HH21 ARG 101 1HH2 ARG 101 -17.576 -3.310 -1.951 714 HH22 ARG 101 2HH2 ARG 101 -16.934 -4.793 -2.571 715 H THR 102 H THR 102 -12.085 -2.350 1.272 716 HA THR 102 HA THR 102 -11.047 0.115 2.147 717 HB THR 102 HB THR 102 -12.202 -0.258 4.215 718 HG1 THR 102 HG1 THR 102 -12.193 -2.988 3.416 719 HG21 THR 102 3HG2 THR 102 -14.441 -0.908 3.422 720 HG22 THR 102 1HG2 THR 102 -13.724 -1.535 1.939 721 HG23 THR 102 2HG2 THR 102 -13.639 0.190 2.299 722 H LYS 103 H LYS 103 -10.283 -3.220 3.098 723 HA LYS 103 HA LYS 103 -8.446 -2.650 5.117 724 HB2 LYS 103 2HB LYS 103 -9.131 -4.965 3.449 725 HB3 LYS 103 3HB LYS 103 -7.460 -4.955 3.996 726 HG2 LYS 103 2HG LYS 103 -9.793 -4.601 5.856 727 HG3 LYS 103 3HG LYS 103 -9.092 -6.174 5.466 728 HD2 LYS 103 2HD LYS 103 -7.408 -3.909 6.493 729 HD3 LYS 103 3HD LYS 103 -8.275 -4.988 7.589 730 HE2 LYS 103 2HE LYS 103 -7.135 -6.884 6.268 731 HE3 LYS 103 3HE LYS 103 -6.053 -5.624 5.677 732 HZ1 LYS 103 3HZ LYS 103 -6.528 -5.946 8.569 733 HZ2 LYS 103 1HZ LYS 103 -5.202 -5.254 7.777 734 HZ3 LYS 103 2HZ LYS 103 -5.406 -6.933 7.774 735 H MET 104 H MET 104 -7.939 -3.078 1.632 736 HA MET 104 HA MET 104 -5.117 -2.701 1.760 737 HB2 MET 104 2HB MET 104 -7.100 -3.258 -0.267 738 HB3 MET 104 3HB MET 104 -5.971 -2.032 -0.828 739 HG2 MET 104 2HG MET 104 -4.483 -3.597 -1.273 740 HG3 MET 104 3HG MET 104 -4.467 -4.073 0.423 741 HE1 MET 104 3HE MET 104 -6.637 -7.153 0.641 742 HE2 MET 104 1HE MET 104 -5.276 -6.246 1.302 743 HE3 MET 104 2HE MET 104 -6.884 -5.522 1.267 744 H LEU 105 H LEU 105 -7.856 -0.594 0.989 745 HA LEU 105 HA LEU 105 -6.476 1.665 0.161 746 HB2 LEU 105 2HB LEU 105 -9.136 1.056 1.189 747 HB3 LEU 105 3HB LEU 105 -8.601 2.690 1.578 748 HG LEU 105 HG LEU 105 -8.227 3.110 -0.824 749 HD11 LEU 105 1HD1 LEU 105 -7.930 0.592 -1.284 750 HD12 LEU 105 2HD1 LEU 105 -8.741 1.585 -2.495 751 HD13 LEU 105 3HD1 LEU 105 -9.689 0.565 -1.413 752 HD21 LEU 105 3HD2 LEU 105 -10.722 2.894 -1.460 753 HD22 LEU 105 1HD2 LEU 105 -10.277 3.913 -0.092 754 HD23 LEU 105 2HD2 LEU 105 -10.926 2.297 0.187 755 H TYR 106 H TYR 106 -6.943 0.375 3.363 756 HA TYR 106 HA TYR 106 -6.376 2.634 4.903 757 HB2 TYR 106 2HB TYR 106 -7.211 0.712 6.019 758 HB3 TYR 106 3HB TYR 106 -5.918 -0.306 5.395 759 HD1 TYR 106 HD2 TYR 106 -6.291 2.809 7.437 760 HD2 TYR 106 HD1 TYR 106 -4.250 -0.882 6.873 761 HE1 TYR 106 HE2 TYR 106 -4.986 3.225 9.480 762 HE2 TYR 106 HE1 TYR 106 -2.940 -0.477 8.915 763 HH TYR 106 HH TYR 106 -2.593 0.870 10.643 764 H SER 107 H SER 107 -4.174 0.139 3.649 765 HA SER 107 HA SER 107 -1.829 1.408 4.665 766 HB2 SER 107 2HB SER 107 -2.477 -1.050 3.346 767 HB3 SER 107 3HB SER 107 -1.141 -0.283 2.490 768 HG SER 107 HG SER 107 0.110 -0.485 4.215 769 H SER 108 H SER 108 -3.701 1.686 1.762 770 HA SER 108 HA SER 108 -1.722 2.846 0.102 771 HB2 SER 108 2HB SER 108 -3.903 1.860 -0.681 772 HB3 SER 108 3HB SER 108 -4.708 3.299 -0.058 773 HG SER 108 HG SER 108 -3.820 4.496 -1.612 774 H SER 109 H SER 109 -3.606 4.062 2.705 775 HA SER 109 HA SER 109 -2.865 6.825 2.009 776 HB2 SER 109 2HB SER 109 -4.746 6.531 4.224 777 HB3 SER 109 3HB SER 109 -4.872 7.514 2.765 778 HG SER 109 HG SER 109 -5.909 5.936 1.768 779 H ARG 110 H ARG 110 -2.332 4.256 4.200 780 HA ARG 110 HA ARG 110 -1.577 5.663 6.511 781 HB2 ARG 110 2HB ARG 110 -1.927 3.098 6.073 782 HB3 ARG 110 3HB ARG 110 -0.204 3.123 5.723 783 HG2 ARG 110 2HG ARG 110 -0.134 4.402 8.043 784 HG3 ARG 110 3HG ARG 110 -1.627 3.494 8.293 785 HD2 ARG 110 2HD ARG 110 -0.551 1.520 8.440 786 HD3 ARG 110 3HD ARG 110 0.604 1.942 7.176 787 HE ARG 110 HE ARG 110 1.180 3.457 9.462 788 HH11 ARG 110 1HH1 ARG 110 1.270 0.157 8.359 789 HH12 ARG 110 2HH1 ARG 110 2.585 -0.291 9.394 790 HH21 ARG 110 1HH2 ARG 110 2.912 2.881 10.829 791 HH22 ARG 110 2HH2 ARG 110 3.518 1.259 10.799 792 H ASP 111 H ASP 111 0.282 4.640 3.678 793 HA ASP 111 HA ASP 111 2.804 5.491 4.634 794 HB2 ASP 111 2HB ASP 111 2.319 3.916 2.683 795 HB3 ASP 111 3HB ASP 111 2.006 5.363 1.728 796 H ALA 112 H ALA 112 0.238 7.104 2.854 797 HA ALA 112 HA ALA 112 1.785 9.482 2.367 798 HB1 ALA 112 1HB ALA 112 0.176 9.132 0.735 799 HB2 ALA 112 2HB ALA 112 -1.068 8.701 1.910 800 HB3 ALA 112 3HB ALA 112 -0.556 10.381 1.743 801 H LEU 113 H LEU 113 -0.215 8.276 4.903 802 HA LEU 113 HA LEU 113 -0.747 10.868 6.064 803 HB2 LEU 113 2HB LEU 113 -1.526 8.088 6.567 804 HB3 LEU 113 3HB LEU 113 -1.311 9.056 8.024 805 HG LEU 113 HG LEU 113 -2.949 10.320 5.937 806 HD11 LEU 113 1HD1 LEU 113 -4.709 8.896 5.873 807 HD12 LEU 113 2HD1 LEU 113 -4.379 8.235 7.474 808 HD13 LEU 113 3HD1 LEU 113 -3.429 7.702 6.088 809 HD21 LEU 113 3HD2 LEU 113 -3.591 11.474 7.719 810 HD22 LEU 113 1HD2 LEU 113 -2.515 10.496 8.717 811 HD23 LEU 113 2HD2 LEU 113 -4.195 10.006 8.489 812 H VAL 114 H VAL 114 1.646 8.377 6.324 813 HA VAL 114 HA VAL 114 2.678 8.761 8.855 814 HB VAL 114 HB VAL 114 3.863 7.902 6.265 815 HG11 VAL 114 1HG1 VAL 114 6.059 7.571 7.546 816 HG12 VAL 114 2HG1 VAL 114 5.692 9.189 6.945 817 HG13 VAL 114 3HG1 VAL 114 5.446 8.803 8.649 818 HG21 VAL 114 3HG2 VAL 114 4.242 6.507 8.863 819 HG22 VAL 114 1HG2 VAL 114 2.624 6.540 8.162 820 HG23 VAL 114 2HG2 VAL 114 3.965 5.843 7.253 821 HA PRO 115 HA PRO 115 5.500 12.290 7.120 822 HB2 PRO 115 2HB PRO 115 4.845 13.306 4.690 823 HB3 PRO 115 3HB PRO 115 5.958 11.949 4.895 824 HG2 PRO 115 2HG PRO 115 3.055 11.923 4.166 825 HG3 PRO 115 3HG PRO 115 4.388 10.975 3.483 826 HD2 PRO 115 2HD PRO 115 2.661 9.958 5.303 827 HD3 PRO 115 3HD PRO 115 4.361 9.454 5.215 828 H LEU 116 H LEU 116 2.074 12.334 6.316 829 HA LEU 116 HA LEU 116 1.688 15.126 6.534 830 HB2 LEU 116 2HB LEU 116 0.095 12.804 6.072 831 HB3 LEU 116 3HB LEU 116 -0.679 13.787 7.313 832 HG LEU 116 HG LEU 116 -1.511 14.266 5.043 833 HD11 LEU 116 1HD1 LEU 116 -1.960 16.175 6.103 834 HD12 LEU 116 2HD1 LEU 116 -0.558 16.833 5.262 835 HD13 LEU 116 3HD1 LEU 116 -0.388 16.205 6.900 836 HD21 LEU 116 3HD2 LEU 116 0.000 15.550 3.521 837 HD22 LEU 116 1HD2 LEU 116 0.426 13.849 3.712 838 HD23 LEU 116 2HD2 LEU 116 1.348 15.090 4.562 839 H THR 117 H THR 117 1.678 12.510 8.869 840 HA THR 117 HA THR 117 1.374 14.510 11.011 841 HB THR 117 HB THR 117 0.288 12.742 12.393 842 HG1 THR 117 HG1 THR 117 -0.665 11.014 10.918 843 HG21 THR 117 3HG2 THR 117 -1.179 13.320 9.818 844 HG22 THR 117 1HG2 THR 117 -1.025 14.453 11.160 845 HG23 THR 117 2HG2 THR 117 -1.898 12.937 11.382 846 H GLN 118 H GLN 118 3.827 14.327 10.531 847 HA GLN 118 HA GLN 118 5.342 12.112 11.222 848 HB2 GLN 118 2HB GLN 118 5.824 15.041 11.136 849 HB3 GLN 118 3HB GLN 118 6.987 14.069 12.028 850 HG2 GLN 118 2HG GLN 118 6.184 13.405 9.217 851 HG3 GLN 118 3HG GLN 118 7.480 14.544 9.582 852 HE21 GLN 118 1HE2 GLN 118 7.042 11.564 8.591 853 HE22 GLN 118 2HE2 GLN 118 8.370 10.752 9.341 854 H GLY 119 H GLY 119 5.587 11.028 13.057 855 HA2 GLY 119 2HA GLY 119 5.943 10.679 15.327 856 HA3 GLY 119 3HA GLY 119 5.723 12.401 15.597 857 H PHE 120 H PHE 120 3.565 10.002 14.112 858 HA PHE 120 HA PHE 120 1.612 10.587 16.239 859 HB2 PHE 120 2HB PHE 120 -0.123 10.784 14.720 860 HB3 PHE 120 3HB PHE 120 1.205 11.496 13.809 861 HD1 PHE 120 HD1 PHE 120 2.620 9.614 12.471 862 HD2 PHE 120 HD2 PHE 120 -1.488 9.367 13.559 863 HE1 PHE 120 HE1 PHE 120 2.238 8.002 10.652 864 HE2 PHE 120 HE2 PHE 120 -1.876 7.754 11.743 865 HZ PHE 120 HZ PHE 120 -0.011 7.068 10.287 866 H GLN 121 H GLN 121 0.052 8.879 16.657 867 HA GLN 121 HA GLN 121 1.257 6.231 16.255 868 HB2 GLN 121 2HB GLN 121 0.053 7.539 18.511 869 HB3 GLN 121 3HB GLN 121 -0.845 6.074 18.136 870 HG2 GLN 121 2HG GLN 121 0.793 5.444 19.691 871 HG3 GLN 121 3HG GLN 121 1.370 4.868 18.128 872 HE21 GLN 121 1HE2 GLN 121 1.850 7.131 20.710 873 HE22 GLN 121 2HE2 GLN 121 3.418 7.668 20.224 874 H GLY 122 H GLY 122 0.416 5.766 14.215 875 HA2 GLY 122 2HA GLY 122 -2.473 5.844 13.838 876 HA3 GLY 122 3HA GLY 122 -1.274 5.438 12.619 877 H ILE 123 H ILE 123 -3.662 4.222 14.587 878 HA ILE 123 HA ILE 123 -2.690 1.480 14.152 879 HB ILE 123 HB ILE 123 -4.180 2.391 16.616 880 HG12 ILE 123 2HG1 ILE 123 -1.631 1.314 17.240 881 HG13 ILE 123 3HG1 ILE 123 -1.389 2.511 15.973 882 HG21 ILE 123 1HG2 ILE 123 -3.590 0.107 17.429 883 HG22 ILE 123 2HG2 ILE 123 -4.726 0.127 16.082 884 HG23 ILE 123 3HG2 ILE 123 -3.031 -0.271 15.800 885 HD11 ILE 123 3HD1 ILE 123 -2.579 4.165 17.335 886 HD12 ILE 123 1HD1 ILE 123 -2.762 2.962 18.612 887 HD13 ILE 123 2HD1 ILE 123 -1.154 3.522 18.151 888 H GLN 124 H GLN 124 -4.173 0.040 13.411 889 HA GLN 124 HA GLN 124 -6.866 1.098 12.879 890 HB2 GLN 124 2HB GLN 124 -6.906 -0.763 11.130 891 HB3 GLN 124 3HB GLN 124 -5.847 0.605 10.815 892 HG2 GLN 124 2HG GLN 124 -3.941 -0.616 11.122 893 HG3 GLN 124 3HG GLN 124 -4.723 -1.770 12.202 894 HE21 GLN 124 1HE2 GLN 124 -3.050 -2.463 10.051 895 HE22 GLN 124 2HE2 GLN 124 -3.994 -3.332 8.894 896 H ALA 125 H ALA 125 -8.446 0.309 14.086 897 HA ALA 125 HA ALA 125 -8.498 -2.528 14.744 898 HB1 ALA 125 1HB ALA 125 -7.413 -1.829 16.688 899 HB2 ALA 125 2HB ALA 125 -8.356 -0.342 16.792 900 HB3 ALA 125 3HB ALA 125 -9.114 -1.894 17.150 901 H ASN 126 H ASN 126 -10.494 -3.325 14.544 902 HA ASN 126 HA ASN 126 -12.705 -1.434 14.212 903 HB2 ASN 126 2HB ASN 126 -13.789 -3.051 12.911 904 HB3 ASN 126 3HB ASN 126 -12.093 -3.263 12.488 905 HD21 ASN 126 1HD2 ASN 126 -14.866 -4.654 13.960 906 HD22 ASN 126 2HD2 ASN 126 -14.190 -6.213 14.272 907 H ASP 127 H ASP 127 -14.796 -1.932 15.143 908 HA ASP 127 HA ASP 127 -16.181 -2.425 16.879 909 HB2 ASP 127 2HB ASP 127 -15.090 -4.807 16.198 910 HB3 ASP 127 3HB ASP 127 -14.559 -4.691 17.873 911 H ALA 128 H ALA 128 -15.686 -3.458 19.422 912 HA ALA 128 HA ALA 128 -14.861 -1.237 20.844 913 HB1 ALA 128 1HB ALA 128 -14.428 -3.904 22.078 914 HB2 ALA 128 2HB ALA 128 -15.215 -2.467 22.731 915 HB3 ALA 128 3HB ALA 128 -16.060 -3.481 21.562 916 H SER 129 H SER 129 -12.954 -3.753 19.410 917 HA SER 129 HA SER 129 -10.607 -3.541 20.917 918 HB2 SER 129 2HB SER 129 -11.362 -4.615 18.283 919 HB3 SER 129 3HB SER 129 -9.676 -4.114 18.406 920 HG SER 129 HG SER 129 -10.946 -6.251 19.530 921 H GLY 130 H GLY 130 -11.999 -1.412 18.588 922 HA2 GLY 130 2HA GLY 130 -9.484 0.113 18.405 923 HA3 GLY 130 3HA GLY 130 -10.836 0.250 17.289 924 H LEU 131 H LEU 131 -11.700 0.061 20.585 925 HA LEU 131 HA LEU 131 -11.916 2.990 20.764 926 HB2 LEU 131 2HB LEU 131 -14.047 1.202 21.861 927 HB3 LEU 131 3HB LEU 131 -14.129 2.917 21.467 928 HG LEU 131 HG LEU 131 -14.011 0.670 19.456 929 HD11 LEU 131 1HD1 LEU 131 -16.326 1.068 19.057 930 HD12 LEU 131 2HD1 LEU 131 -16.341 2.442 20.163 931 HD13 LEU 131 3HD1 LEU 131 -16.120 0.808 20.789 932 HD21 LEU 131 3HD2 LEU 131 -14.939 3.294 18.595 933 HD22 LEU 131 1HD2 LEU 131 -13.774 2.200 17.847 934 HD23 LEU 131 2HD2 LEU 131 -13.258 3.294 19.131 935 H ASP 132 H ASP 132 -10.084 0.917 21.928 936 HA ASP 132 HA ASP 132 -10.728 0.950 24.756 937 HB2 ASP 132 2HB ASP 132 -9.056 -0.618 23.042 938 HB3 ASP 132 3HB ASP 132 -8.066 0.058 24.332 939 H PHE 133 H PHE 133 -10.606 3.036 25.475 940 HA PHE 133 HA PHE 133 -8.791 4.992 24.771 941 HB2 PHE 133 2HB PHE 133 -10.493 4.479 27.149 942 HB3 PHE 133 3HB PHE 133 -9.202 5.660 27.341 943 HD1 PHE 133 HD1 PHE 133 -9.155 7.677 25.905 944 HD2 PHE 133 HD2 PHE 133 -12.439 4.970 25.898 945 HE1 PHE 133 HE1 PHE 133 -10.561 9.390 24.834 946 HE2 PHE 133 HE2 PHE 133 -13.850 6.677 24.827 947 HZ PHE 133 HZ PHE 133 -12.911 8.890 24.293 948 H GLU 134 H GLU 134 -8.478 2.467 27.224 949 HA GLU 134 HA GLU 134 -6.106 3.316 28.418 950 HB2 GLU 134 2HB GLU 134 -7.781 1.068 28.575 951 HB3 GLU 134 3HB GLU 134 -6.186 0.437 28.190 952 HG2 GLU 134 2HG GLU 134 -5.324 1.853 30.109 953 HG3 GLU 134 3HG GLU 134 -7.013 2.074 30.562 954 H GLU 135 H GLU 135 -6.670 1.640 25.404 955 HA GLU 135 HA GLU 135 -3.997 0.795 24.962 956 HB2 GLU 135 2HB GLU 135 -6.029 -0.117 23.801 957 HB3 GLU 135 3HB GLU 135 -6.102 1.376 22.875 958 HG2 GLU 135 2HG GLU 135 -4.997 -0.023 21.432 959 HG3 GLU 135 3HG GLU 135 -3.658 0.799 22.232 960 H ILE 136 H ILE 136 -5.839 3.644 23.937 961 HA ILE 136 HA ILE 136 -3.802 4.788 22.352 962 HB ILE 136 HB ILE 136 -6.077 6.153 23.796 963 HG12 ILE 136 2HG1 ILE 136 -5.849 5.221 20.926 964 HG13 ILE 136 3HG1 ILE 136 -6.770 4.402 22.183 965 HG21 ILE 136 1HG2 ILE 136 -4.284 7.131 21.579 966 HG22 ILE 136 2HG2 ILE 136 -5.743 7.951 22.132 967 HG23 ILE 136 3HG2 ILE 136 -4.373 7.759 23.224 968 HD11 ILE 136 3HD1 ILE 136 -8.164 6.427 22.416 969 HD12 ILE 136 1HD1 ILE 136 -7.290 7.143 21.062 970 HD13 ILE 136 2HD1 ILE 136 -8.257 5.688 20.818 971 H SER 137 H SER 137 -4.759 5.342 25.729 972 HA SER 137 HA SER 137 -2.859 7.339 26.284 973 HB2 SER 137 2HB SER 137 -3.423 7.046 28.574 974 HB3 SER 137 3HB SER 137 -4.898 6.693 27.675 975 HG SER 137 HG SER 137 -3.092 4.864 28.862 976 H ARG 138 H ARG 138 -2.728 3.821 26.551 977 HA ARG 138 HA ARG 138 -0.207 3.696 27.835 978 HB2 ARG 138 2HB ARG 138 -1.789 1.820 27.845 979 HB3 ARG 138 3HB ARG 138 -1.594 1.640 26.107 980 HG2 ARG 138 2HG ARG 138 0.884 1.534 27.697 981 HG3 ARG 138 3HG ARG 138 -0.244 0.195 27.917 982 HD2 ARG 138 2HD ARG 138 0.047 0.856 25.125 983 HD3 ARG 138 3HD ARG 138 1.615 0.526 25.860 984 HE ARG 138 HE ARG 138 0.073 -1.525 26.724 985 HH11 ARG 138 1HH1 ARG 138 0.760 -0.193 23.582 986 HH12 ARG 138 2HH1 ARG 138 0.575 -1.704 22.756 987 HH21 ARG 138 1HH2 ARG 138 -0.175 -3.521 25.648 988 HH22 ARG 138 2HH2 ARG 138 0.042 -3.597 23.932 989 H LYS 139 H LYS 139 -1.206 3.783 24.466 990 HA LYS 139 HA LYS 139 1.314 3.143 23.342 991 HB2 LYS 139 2HB LYS 139 -1.157 4.491 22.288 992 HB3 LYS 139 3HB LYS 139 0.295 4.372 21.303 993 HG2 LYS 139 2HG LYS 139 -0.782 1.905 22.572 994 HG3 LYS 139 3HG LYS 139 -1.597 2.567 21.153 995 HD2 LYS 139 2HD LYS 139 1.057 2.652 20.434 996 HD3 LYS 139 3HD LYS 139 0.950 1.157 21.366 997 HE2 LYS 139 2HE LYS 139 -1.309 1.118 19.762 998 HE3 LYS 139 3HE LYS 139 -0.053 1.773 18.713 999 HZ1 LYS 139 3HZ LYS 139 -0.355 -0.892 19.781 1000 HZ2 LYS 139 1HZ LYS 139 1.218 -0.277 19.889 1001 HZ3 LYS 139 2HZ LYS 139 0.447 -0.368 18.387 1002 H VAL 140 H VAL 140 -0.311 6.249 23.940 1003 HA VAL 140 HA VAL 140 1.816 7.852 22.970 1004 HB VAL 140 HB VAL 140 -0.443 8.743 23.143 1005 HG11 VAL 140 1HG1 VAL 140 -0.080 8.627 26.135 1006 HG12 VAL 140 2HG1 VAL 140 -1.490 9.229 25.260 1007 HG13 VAL 140 3HG1 VAL 140 -1.078 7.515 25.198 1008 HG21 VAL 140 3HG2 VAL 140 0.083 10.903 24.119 1009 HG22 VAL 140 1HG2 VAL 140 1.449 10.201 24.985 1010 HG23 VAL 140 2HG2 VAL 140 1.471 10.288 23.224 1011 H LYS 141 H LYS 141 0.974 6.611 26.158 1012 HA LYS 141 HA LYS 141 2.882 8.106 27.618 1013 HB2 LYS 141 2HB LYS 141 0.888 6.896 28.572 1014 HB3 LYS 141 3HB LYS 141 1.771 5.393 28.344 1015 HG2 LYS 141 2HG LYS 141 3.612 6.622 29.746 1016 HG3 LYS 141 3HG LYS 141 2.243 7.596 30.288 1017 HD2 LYS 141 2HD LYS 141 2.269 5.908 31.862 1018 HD3 LYS 141 3HD LYS 141 1.114 5.278 30.686 1019 HE2 LYS 141 2HE LYS 141 2.386 3.428 30.770 1020 HE3 LYS 141 3HE LYS 141 3.449 4.326 29.686 1021 HZ1 LYS 141 3HZ LYS 141 3.752 3.786 32.557 1022 HZ2 LYS 141 1HZ LYS 141 4.439 5.192 31.912 1023 HZ3 LYS 141 2HZ LYS 141 4.897 3.677 31.316 1024 H SER 142 H SER 142 3.065 5.176 25.754 1025 HA SER 142 HA SER 142 5.679 4.474 26.807 1026 HB2 SER 142 2HB SER 142 4.174 2.644 26.297 1027 HB3 SER 142 3HB SER 142 3.975 3.219 24.643 1028 HG SER 142 HG SER 142 5.660 2.078 24.169 1029 H ASN 143 H ASN 143 4.268 5.996 23.999 1030 HA ASN 143 HA ASN 143 5.165 7.044 22.189 1031 HB2 ASN 143 2HB ASN 143 7.624 7.269 23.939 1032 HB3 ASN 143 3HB ASN 143 7.245 8.262 22.534 1033 HD21 ASN 143 1HD2 ASN 143 6.542 7.609 25.861 1034 HD22 ASN 143 2HD2 ASN 143 5.594 9.024 26.153 1035 H ARG 144 H ARG 144 5.452 4.148 22.413 1036 HA ARG 144 HA ARG 144 6.461 2.401 21.359 1037 HB2 ARG 144 2HB ARG 144 6.586 4.667 19.553 1038 HB3 ARG 144 3HB ARG 144 7.928 3.562 19.284 1039 HG2 ARG 144 2HG ARG 144 6.561 1.843 18.619 1040 HG3 ARG 144 3HG ARG 144 5.171 2.461 19.514 1041 HD2 ARG 144 2HD ARG 144 4.440 3.573 17.733 1042 HD3 ARG 144 3HD ARG 144 6.005 4.355 17.518 1043 HE ARG 144 HE ARG 144 6.460 2.880 15.837 1044 HH11 ARG 144 1HH1 ARG 144 3.862 1.609 17.774 1045 HH12 ARG 144 2HH1 ARG 144 3.553 0.271 16.717 1046 HH21 ARG 144 1HH2 ARG 144 6.064 1.123 14.437 1047 HH22 ARG 144 2HH2 ARG 144 4.807 -0.004 14.819 Start of MODEL 14 1 H MET 9 H MET 9 -5.776 -3.487 -9.727 2 HA MET 9 HA MET 9 -7.198 -4.574 -8.305 3 HB2 MET 9 2HB MET 9 -6.093 -6.221 -6.852 4 HB3 MET 9 3HB MET 9 -5.380 -6.190 -8.459 5 HG2 MET 9 2HG MET 9 -3.640 -4.610 -7.452 6 HG3 MET 9 3HG MET 9 -4.253 -5.147 -5.890 7 HE1 MET 9 3HE MET 9 -1.804 -6.377 -8.965 8 HE2 MET 9 1HE MET 9 -2.597 -7.947 -9.098 9 HE3 MET 9 2HE MET 9 -3.528 -6.467 -9.326 10 H ALA 10 H ALA 10 -4.844 -2.493 -6.824 11 HA ALA 10 HA ALA 10 -6.575 -2.225 -4.455 12 HB1 ALA 10 1HB ALA 10 -3.640 -1.583 -4.728 13 HB2 ALA 10 2HB ALA 10 -4.611 -1.375 -3.269 14 HB3 ALA 10 3HB ALA 10 -4.325 -2.991 -3.916 15 H MET 11 H MET 11 -7.029 -0.913 -7.004 16 HA MET 11 HA MET 11 -7.595 1.126 -7.834 17 HB2 MET 11 2HB MET 11 -7.394 1.961 -4.935 18 HB3 MET 11 3HB MET 11 -8.170 2.887 -6.213 19 HG2 MET 11 2HG MET 11 -9.023 0.158 -5.274 20 HG3 MET 11 3HG MET 11 -9.779 1.683 -4.819 21 HE1 MET 11 3HE MET 11 -11.627 2.944 -6.427 22 HE2 MET 11 1HE MET 11 -10.035 3.439 -7.003 23 HE3 MET 11 2HE MET 11 -11.276 2.947 -8.156 24 H SER 12 H SER 12 -6.878 3.656 -7.502 25 HA SER 12 HA SER 12 -4.220 4.201 -6.807 26 HB2 SER 12 2HB SER 12 -3.470 2.797 -8.574 27 HB3 SER 12 3HB SER 12 -4.670 3.441 -9.694 28 HG SER 12 HG SER 12 -3.251 4.878 -10.225 29 H GLY 13 H GLY 13 -5.259 6.050 -6.018 30 HA2 GLY 13 2HA GLY 13 -5.195 8.315 -7.654 31 HA3 GLY 13 3HA GLY 13 -6.864 7.772 -7.575 32 H VAL 14 H VAL 14 -6.561 6.753 -4.835 33 HA VAL 14 HA VAL 14 -7.503 8.900 -3.388 34 HB VAL 14 HB VAL 14 -7.774 6.656 -2.557 35 HG11 VAL 14 1HG1 VAL 14 -5.246 6.091 -1.397 36 HG12 VAL 14 2HG1 VAL 14 -6.120 5.177 -2.627 37 HG13 VAL 14 3HG1 VAL 14 -4.995 6.449 -3.105 38 HG21 VAL 14 3HG2 VAL 14 -7.804 7.294 -0.407 39 HG22 VAL 14 1HG2 VAL 14 -6.067 7.598 -0.377 40 HG23 VAL 14 2HG2 VAL 14 -7.166 8.825 -1.007 41 H SER 15 H SER 15 -6.604 10.709 -2.679 42 HA SER 15 HA SER 15 -3.808 10.702 -1.822 43 HB2 SER 15 2HB SER 15 -4.550 11.708 -4.315 44 HB3 SER 15 3HB SER 15 -4.421 13.137 -3.290 45 HG SER 15 HG SER 15 -2.409 11.160 -3.303 46 H VAL 16 H VAL 16 -3.309 12.229 -0.260 47 HA VAL 16 HA VAL 16 -5.504 13.147 1.320 48 HB VAL 16 HB VAL 16 -3.480 12.426 2.426 49 HG11 VAL 16 1HG1 VAL 16 -2.186 13.839 0.381 50 HG12 VAL 16 2HG1 VAL 16 -1.755 14.657 1.884 51 HG13 VAL 16 3HG1 VAL 16 -1.444 12.931 1.697 52 HG21 VAL 16 3HG2 VAL 16 -3.336 15.326 2.988 53 HG22 VAL 16 1HG2 VAL 16 -4.922 14.567 3.134 54 HG23 VAL 16 2HG2 VAL 16 -3.565 13.966 4.087 55 H ALA 17 H ALA 17 -6.584 14.986 1.111 56 HA ALA 17 HA ALA 17 -5.713 17.013 -0.736 57 HB1 ALA 17 1HB ALA 17 -7.856 18.156 0.214 58 HB2 ALA 17 2HB ALA 17 -7.998 16.741 -0.830 59 HB3 ALA 17 3HB ALA 17 -8.158 16.566 0.917 60 H ASP 18 H ASP 18 -5.484 19.267 -0.204 61 HA ASP 18 HA ASP 18 -3.681 19.800 1.828 62 HB2 ASP 18 2HB ASP 18 -5.513 21.571 0.232 63 HB3 ASP 18 3HB ASP 18 -4.466 22.244 1.480 64 H GLU 19 H GLU 19 -7.165 19.763 1.904 65 HA GLU 19 HA GLU 19 -7.607 21.245 4.238 66 HB2 GLU 19 2HB GLU 19 -9.744 20.006 4.389 67 HB3 GLU 19 3HB GLU 19 -9.437 20.634 2.776 68 HG2 GLU 19 2HG GLU 19 -8.366 18.175 2.543 69 HG3 GLU 19 3HG GLU 19 -9.635 17.859 3.724 70 H CYS 20 H CYS 20 -6.898 17.811 3.770 71 HA CYS 20 HA CYS 20 -7.205 17.055 6.477 72 HB2 CYS 20 2HB CYS 20 -6.196 15.834 4.007 73 HB3 CYS 20 3HB CYS 20 -5.394 15.255 5.461 74 HG CYS 20 HG CYS 20 -8.691 14.990 4.637 75 H VAL 21 H VAL 21 -4.370 17.993 4.563 76 HA VAL 21 HA VAL 21 -2.415 17.570 6.513 77 HB VAL 21 HB VAL 21 -2.363 19.764 4.440 78 HG11 VAL 21 1HG1 VAL 21 0.101 19.256 4.512 79 HG12 VAL 21 2HG1 VAL 21 -0.559 20.003 5.968 80 HG13 VAL 21 3HG1 VAL 21 -0.220 18.272 5.939 81 HG21 VAL 21 3HG2 VAL 21 -2.498 16.919 4.086 82 HG22 VAL 21 1HG2 VAL 21 -2.437 18.195 2.869 83 HG23 VAL 21 2HG2 VAL 21 -0.942 17.524 3.519 84 H THR 22 H THR 22 -4.325 20.472 5.788 85 HA THR 22 HA THR 22 -3.116 22.127 7.733 86 HB THR 22 HB THR 22 -5.946 22.404 6.718 87 HG1 THR 22 HG1 THR 22 -5.153 22.982 4.838 88 HG21 THR 22 3HG2 THR 22 -5.928 24.306 7.875 89 HG22 THR 22 1HG2 THR 22 -4.543 24.860 6.936 90 HG23 THR 22 2HG2 THR 22 -4.291 23.965 8.434 91 H ALA 23 H ALA 23 -6.017 20.092 7.800 92 HA ALA 23 HA ALA 23 -6.979 20.822 10.315 93 HB1 ALA 23 1HB ALA 23 -8.021 18.517 10.307 94 HB2 ALA 23 2HB ALA 23 -8.390 19.542 8.919 95 HB3 ALA 23 3HB ALA 23 -7.197 18.251 8.770 96 H LEU 24 H LEU 24 -4.652 18.303 9.407 97 HA LEU 24 HA LEU 24 -4.294 17.307 12.041 98 HB2 LEU 24 2HB LEU 24 -2.458 17.142 9.656 99 HB3 LEU 24 3HB LEU 24 -2.322 16.179 11.125 100 HG LEU 24 HG LEU 24 -4.828 16.040 9.504 101 HD11 LEU 24 1HD1 LEU 24 -3.395 15.620 7.748 102 HD12 LEU 24 2HD1 LEU 24 -3.635 14.005 8.415 103 HD13 LEU 24 3HD1 LEU 24 -2.162 14.901 8.785 104 HD21 LEU 24 3HD2 LEU 24 -4.478 13.594 10.333 105 HD22 LEU 24 1HD2 LEU 24 -5.064 14.827 11.450 106 HD23 LEU 24 2HD2 LEU 24 -3.368 14.343 11.482 107 H ASN 25 H ASN 25 -2.569 19.691 10.082 108 HA ASN 25 HA ASN 25 -0.388 20.132 11.761 109 HB2 ASN 25 2HB ASN 25 -1.466 21.307 9.420 110 HB3 ASN 25 3HB ASN 25 -1.219 22.612 10.577 111 HD21 ASN 25 1HD2 ASN 25 0.555 23.591 9.863 112 HD22 ASN 25 2HD2 ASN 25 2.077 22.821 9.586 113 H ASP 26 H ASP 26 -3.572 21.699 11.719 114 HA ASP 26 HA ASP 26 -3.003 23.436 13.907 115 HB2 ASP 26 2HB ASP 26 -5.590 22.581 12.604 116 HB3 ASP 26 3HB ASP 26 -5.518 23.743 13.925 117 H LEU 27 H LEU 27 -4.515 20.270 13.590 118 HA LEU 27 HA LEU 27 -5.562 20.027 16.169 119 HB2 LEU 27 2HB LEU 27 -5.980 18.505 14.229 120 HB3 LEU 27 3HB LEU 27 -4.386 17.806 14.508 121 HG LEU 27 HG LEU 27 -5.433 17.441 16.940 122 HD11 LEU 27 1HD1 LEU 27 -7.602 18.491 15.805 123 HD12 LEU 27 2HD1 LEU 27 -7.688 17.243 17.048 124 HD13 LEU 27 3HD1 LEU 27 -7.845 16.805 15.348 125 HD21 LEU 27 3HD2 LEU 27 -4.857 15.872 14.682 126 HD22 LEU 27 1HD2 LEU 27 -6.426 15.330 15.277 127 HD23 LEU 27 2HD2 LEU 27 -5.030 15.339 16.355 128 H ARG 28 H ARG 28 -2.319 19.456 14.931 129 HA ARG 28 HA ARG 28 -1.256 18.169 17.194 130 HB2 ARG 28 2HB ARG 28 0.766 18.303 16.133 131 HB3 ARG 28 3HB ARG 28 -0.291 18.610 14.762 132 HG2 ARG 28 2HG ARG 28 0.024 21.115 15.514 133 HG3 ARG 28 3HG ARG 28 1.499 20.465 16.233 134 HD2 ARG 28 2HD ARG 28 1.045 19.532 13.511 135 HD3 ARG 28 3HD ARG 28 1.192 21.285 13.623 136 HE ARG 28 HE ARG 28 3.267 19.335 14.049 137 HH11 ARG 28 1HH1 ARG 28 2.201 22.588 14.678 138 HH12 ARG 28 2HH1 ARG 28 3.798 23.196 14.962 139 HH21 ARG 28 1HH2 ARG 28 5.375 20.123 14.420 140 HH22 ARG 28 2HH2 ARG 28 5.603 21.794 14.813 141 H HIS 29 H HIS 29 -2.012 21.479 16.559 142 HA HIS 29 HA HIS 29 -0.454 22.397 18.859 143 HB2 HIS 29 2HB HIS 29 -0.548 23.615 16.582 144 HB3 HIS 29 3HB HIS 29 -2.146 24.151 17.094 145 HD1 HIS 29 HD1 HIS 29 1.209 24.031 18.902 146 HD2 HIS 29 HD2 HIS 29 -1.882 26.665 18.026 147 HE1 HIS 29 HE1 HIS 29 1.829 26.193 20.027 148 H LYS 30 H LYS 30 -3.064 20.779 18.827 149 HA LYS 30 HA LYS 30 -4.917 20.597 20.133 150 HB2 LYS 30 2HB LYS 30 -3.900 22.957 21.708 151 HB3 LYS 30 3HB LYS 30 -4.916 21.635 22.268 152 HG2 LYS 30 2HG LYS 30 -3.072 20.091 22.103 153 HG3 LYS 30 3HG LYS 30 -2.045 21.346 21.407 154 HD2 LYS 30 2HD LYS 30 -3.328 21.747 24.083 155 HD3 LYS 30 3HD LYS 30 -1.847 20.798 23.936 156 HE2 LYS 30 2HE LYS 30 -1.943 23.455 22.608 157 HE3 LYS 30 3HE LYS 30 -1.808 23.415 24.365 158 HZ1 LYS 30 3HZ LYS 30 0.037 22.131 22.425 159 HZ2 LYS 30 1HZ LYS 30 0.143 21.966 24.106 160 HZ3 LYS 30 2HZ LYS 30 0.368 23.481 23.389 161 H LYS 31 H LYS 31 -5.310 21.946 17.807 162 HA LYS 31 HA LYS 31 -6.442 24.506 18.024 163 HB2 LYS 31 2HB LYS 31 -7.436 24.072 15.848 164 HB3 LYS 31 3HB LYS 31 -5.781 23.476 15.884 165 HG2 LYS 31 2HG LYS 31 -6.572 21.562 15.092 166 HG3 LYS 31 3HG LYS 31 -7.297 21.299 16.680 167 HD2 LYS 31 2HD LYS 31 -9.306 22.560 15.873 168 HD3 LYS 31 3HD LYS 31 -8.583 22.563 14.263 169 HE2 LYS 31 2HE LYS 31 -8.779 20.251 14.040 170 HE3 LYS 31 3HE LYS 31 -8.961 20.004 15.776 171 HZ1 LYS 31 3HZ LYS 31 -10.954 20.680 13.785 172 HZ2 LYS 31 1HZ LYS 31 -11.087 21.525 15.245 173 HZ3 LYS 31 2HZ LYS 31 -11.120 19.834 15.241 174 H SER 32 H SER 32 -7.760 21.311 18.573 175 HA SER 32 HA SER 32 -10.051 22.461 19.906 176 HB2 SER 32 2HB SER 32 -10.248 21.410 17.198 177 HB3 SER 32 3HB SER 32 -11.308 20.552 18.316 178 HG SER 32 HG SER 32 -11.830 22.866 19.002 179 H ARG 33 H ARG 33 -9.858 19.256 18.456 180 HA ARG 33 HA ARG 33 -8.962 18.042 20.928 181 HB2 ARG 33 2HB ARG 33 -11.392 18.339 21.281 182 HB3 ARG 33 3HB ARG 33 -11.703 17.414 19.819 183 HG2 ARG 33 2HG ARG 33 -11.966 15.769 21.358 184 HG3 ARG 33 3HG ARG 33 -10.230 15.615 21.079 185 HD2 ARG 33 2HD ARG 33 -11.399 17.334 23.255 186 HD3 ARG 33 3HD ARG 33 -10.975 15.640 23.495 187 HE ARG 33 HE ARG 33 -8.701 16.696 22.496 188 HH11 ARG 33 1HH1 ARG 33 -10.800 17.615 25.117 189 HH12 ARG 33 2HH1 ARG 33 -9.530 18.321 26.060 190 HH21 ARG 33 1HH2 ARG 33 -7.020 17.624 23.728 191 HH22 ARG 33 2HH2 ARG 33 -7.380 18.327 25.268 192 H TYR 34 H TYR 34 -10.872 16.857 18.169 193 HA TYR 34 HA TYR 34 -8.533 15.437 17.152 194 HB2 TYR 34 2HB TYR 34 -9.671 13.296 17.076 195 HB3 TYR 34 3HB TYR 34 -9.647 13.886 18.734 196 HD1 TYR 34 HD1 TYR 34 -11.790 13.465 15.746 197 HD2 TYR 34 HD2 TYR 34 -11.660 14.277 19.920 198 HE1 TYR 34 HE1 TYR 34 -14.232 13.200 15.867 199 HE2 TYR 34 HE2 TYR 34 -14.102 14.013 20.053 200 HH TYR 34 HH TYR 34 -16.078 13.747 17.220 201 H VAL 35 H VAL 35 -8.798 14.652 14.981 202 HA VAL 35 HA VAL 35 -11.057 15.875 13.537 203 HB VAL 35 HB VAL 35 -9.516 16.327 11.647 204 HG11 VAL 35 1HG1 VAL 35 -8.082 17.997 13.347 205 HG12 VAL 35 2HG1 VAL 35 -9.620 18.356 12.559 206 HG13 VAL 35 3HG1 VAL 35 -9.599 17.692 14.193 207 HG21 VAL 35 3HG2 VAL 35 -7.033 16.429 12.355 208 HG22 VAL 35 1HG2 VAL 35 -7.505 15.270 13.597 209 HG23 VAL 35 2HG2 VAL 35 -7.720 14.872 11.893 210 H ILE 36 H ILE 36 -12.184 14.474 12.368 211 HA ILE 36 HA ILE 36 -10.929 11.903 11.669 212 HB ILE 36 HB ILE 36 -13.890 12.446 11.830 213 HG12 ILE 36 2HG1 ILE 36 -12.061 11.277 13.940 214 HG13 ILE 36 3HG1 ILE 36 -12.890 12.827 14.034 215 HG21 ILE 36 1HG2 ILE 36 -12.348 10.282 10.860 216 HG22 ILE 36 2HG2 ILE 36 -13.138 9.749 12.343 217 HG23 ILE 36 3HG2 ILE 36 -14.101 10.394 11.015 218 HD11 ILE 36 3HD1 ILE 36 -14.090 11.269 15.361 219 HD12 ILE 36 1HD1 ILE 36 -15.049 11.586 13.915 220 HD13 ILE 36 2HD1 ILE 36 -14.125 10.089 14.051 221 H MET 37 H MET 37 -10.561 11.503 9.594 222 HA MET 37 HA MET 37 -12.186 12.901 7.576 223 HB2 MET 37 2HB MET 37 -10.126 12.967 6.147 224 HB3 MET 37 3HB MET 37 -10.061 13.998 7.571 225 HG2 MET 37 2HG MET 37 -9.002 11.347 8.079 226 HG3 MET 37 3HG MET 37 -8.157 12.175 6.773 227 HE1 MET 37 3HE MET 37 -5.554 13.253 8.271 228 HE2 MET 37 1HE MET 37 -5.875 12.285 9.710 229 HE3 MET 37 2HE MET 37 -6.290 11.658 8.115 230 H HIS 38 H HIS 38 -12.393 11.803 5.536 231 HA HIS 38 HA HIS 38 -11.705 8.953 5.568 232 HB2 HIS 38 2HB HIS 38 -13.908 8.263 4.966 233 HB3 HIS 38 3HB HIS 38 -14.076 9.315 6.368 234 HD1 HIS 38 HD1 HIS 38 -14.262 12.046 5.276 235 HD2 HIS 38 HD2 HIS 38 -15.970 8.803 3.320 236 HE1 HIS 38 HE1 HIS 38 -16.050 13.018 3.799 237 H ILE 39 H ILE 39 -12.139 7.942 3.373 238 HA ILE 39 HA ILE 39 -10.972 9.671 1.360 239 HB ILE 39 HB ILE 39 -11.749 6.772 1.058 240 HG12 ILE 39 2HG1 ILE 39 -9.130 7.962 2.000 241 HG13 ILE 39 3HG1 ILE 39 -10.247 7.012 2.975 242 HG21 ILE 39 1HG2 ILE 39 -9.612 8.318 -0.388 243 HG22 ILE 39 2HG2 ILE 39 -10.272 6.734 -0.790 244 HG23 ILE 39 3HG2 ILE 39 -11.266 8.178 -0.984 245 HD11 ILE 39 3HD1 ILE 39 -8.156 6.146 1.191 246 HD12 ILE 39 1HD1 ILE 39 -9.047 5.239 2.414 247 HD13 ILE 39 2HD1 ILE 39 -9.704 5.404 0.785 248 H VAL 40 H VAL 40 -12.058 10.669 -0.201 249 HA VAL 40 HA VAL 40 -14.863 9.898 -0.662 250 HB VAL 40 HB VAL 40 -13.532 12.552 -1.224 251 HG11 VAL 40 1HG1 VAL 40 -16.393 11.639 -1.481 252 HG12 VAL 40 2HG1 VAL 40 -15.878 13.325 -1.554 253 HG13 VAL 40 3HG1 VAL 40 -15.322 12.179 -2.773 254 HG21 VAL 40 3HG2 VAL 40 -15.116 11.519 1.085 255 HG22 VAL 40 1HG2 VAL 40 -13.685 12.550 1.072 256 HG23 VAL 40 2HG2 VAL 40 -15.256 13.217 0.629 257 H ASP 41 H ASP 41 -15.447 9.144 -2.593 258 HA ASP 41 HA ASP 41 -15.373 8.494 -4.772 259 HB2 ASP 41 2HB ASP 41 -14.906 11.116 -4.880 260 HB3 ASP 41 3HB ASP 41 -13.345 10.559 -5.478 261 H GLN 42 H GLN 42 -13.177 7.808 -2.713 262 HA GLN 42 HA GLN 42 -11.228 6.623 -2.618 263 HB2 GLN 42 2HB GLN 42 -12.300 5.544 -5.231 264 HB3 GLN 42 3HB GLN 42 -11.061 4.782 -4.243 265 HG2 GLN 42 2HG GLN 42 -12.740 3.627 -3.351 266 HG3 GLN 42 3HG GLN 42 -13.093 5.102 -2.452 267 HE21 GLN 42 1HE2 GLN 42 -15.124 5.702 -2.526 268 HE22 GLN 42 2HE2 GLN 42 -16.233 5.410 -3.818 269 H LYS 43 H LYS 43 -11.070 9.229 -3.893 270 HA LYS 43 HA LYS 43 -8.555 8.814 -5.321 271 HB2 LYS 43 2HB LYS 43 -11.023 9.843 -6.505 272 HB3 LYS 43 3HB LYS 43 -9.657 10.933 -6.707 273 HG2 LYS 43 2HG LYS 43 -8.496 9.459 -8.024 274 HG3 LYS 43 3HG LYS 43 -9.305 8.045 -7.343 275 HD2 LYS 43 2HD LYS 43 -10.661 8.044 -9.107 276 HD3 LYS 43 3HD LYS 43 -11.321 9.581 -8.544 277 HE2 LYS 43 2HE LYS 43 -9.255 10.606 -9.738 278 HE3 LYS 43 3HE LYS 43 -9.198 9.063 -10.588 279 HZ1 LYS 43 3HZ LYS 43 -11.013 9.561 -11.782 280 HZ2 LYS 43 1HZ LYS 43 -10.645 11.164 -11.384 281 HZ3 LYS 43 2HZ LYS 43 -11.805 10.316 -10.492 282 H SER 44 H SER 44 -10.807 11.090 -3.822 283 HA SER 44 HA SER 44 -8.485 12.673 -2.936 284 HB2 SER 44 2HB SER 44 -10.518 13.561 -4.617 285 HB3 SER 44 3HB SER 44 -10.970 14.189 -3.032 286 HG SER 44 HG SER 44 -9.617 15.693 -3.830 287 H ILE 45 H ILE 45 -8.280 12.863 -0.806 288 HA ILE 45 HA ILE 45 -10.277 11.727 0.935 289 HB ILE 45 HB ILE 45 -7.672 13.092 1.624 290 HG12 ILE 45 2HG1 ILE 45 -8.322 10.142 1.468 291 HG13 ILE 45 3HG1 ILE 45 -7.453 11.037 0.226 292 HG21 ILE 45 1HG2 ILE 45 -9.206 13.120 3.495 293 HG22 ILE 45 2HG2 ILE 45 -9.518 11.396 3.298 294 HG23 ILE 45 3HG2 ILE 45 -7.919 11.951 3.794 295 HD11 ILE 45 3HD1 ILE 45 -6.483 9.867 2.666 296 HD12 ILE 45 1HD1 ILE 45 -5.588 10.503 1.287 297 HD13 ILE 45 2HD1 ILE 45 -6.091 11.585 2.586 298 H ALA 46 H ALA 46 -11.749 12.774 2.124 299 HA ALA 46 HA ALA 46 -11.501 15.686 2.442 300 HB1 ALA 46 1HB ALA 46 -14.215 14.564 1.999 301 HB2 ALA 46 2HB ALA 46 -13.566 16.155 1.599 302 HB3 ALA 46 3HB ALA 46 -13.159 14.760 0.599 303 H VAL 47 H VAL 47 -12.803 16.562 4.202 304 HA VAL 47 HA VAL 47 -12.675 14.873 6.521 305 HB VAL 47 HB VAL 47 -13.539 16.866 7.735 306 HG11 VAL 47 1HG1 VAL 47 -11.501 17.905 7.756 307 HG12 VAL 47 2HG1 VAL 47 -11.068 16.403 6.938 308 HG13 VAL 47 3HG1 VAL 47 -11.341 17.872 6.000 309 HG21 VAL 47 3HG2 VAL 47 -13.184 18.769 5.610 310 HG22 VAL 47 1HG2 VAL 47 -14.447 17.611 5.194 311 HG23 VAL 47 2HG2 VAL 47 -14.561 18.541 6.688 312 H LYS 48 H LYS 48 -14.310 13.963 7.664 313 HA LYS 48 HA LYS 48 -16.978 14.058 6.433 314 HB2 LYS 48 2HB LYS 48 -15.416 11.890 7.098 315 HB3 LYS 48 3HB LYS 48 -16.514 12.001 8.467 316 HG2 LYS 48 2HG LYS 48 -17.955 12.305 5.998 317 HG3 LYS 48 3HG LYS 48 -17.001 10.820 5.987 318 HD2 LYS 48 2HD LYS 48 -18.174 9.891 7.714 319 HD3 LYS 48 3HD LYS 48 -18.555 11.455 8.439 320 HE2 LYS 48 2HE LYS 48 -20.600 11.164 7.585 321 HE3 LYS 48 3HE LYS 48 -19.868 11.572 6.034 322 HZ1 LYS 48 3HZ LYS 48 -20.503 9.576 5.349 323 HZ2 LYS 48 1HZ LYS 48 -20.964 9.099 6.905 324 HZ3 LYS 48 2HZ LYS 48 -19.364 8.895 6.397 325 H THR 49 H THR 49 -15.322 14.123 9.567 326 HA THR 49 HA THR 49 -17.273 15.940 10.632 327 HB THR 49 HB THR 49 -17.113 13.149 11.784 328 HG1 THR 49 HG1 THR 49 -18.604 13.121 10.176 329 HG21 THR 49 3HG2 THR 49 -18.830 14.024 13.393 330 HG22 THR 49 1HG2 THR 49 -18.453 15.647 12.817 331 HG23 THR 49 2HG2 THR 49 -17.210 14.684 13.616 332 H ILE 50 H ILE 50 -16.114 17.336 11.770 333 HA ILE 50 HA ILE 50 -13.604 16.439 12.997 334 HB ILE 50 HB ILE 50 -13.143 18.908 13.225 335 HG12 ILE 50 2HG1 ILE 50 -15.510 19.140 11.354 336 HG13 ILE 50 3HG1 ILE 50 -15.519 19.624 13.046 337 HG21 ILE 50 1HG2 ILE 50 -13.093 17.231 10.890 338 HG22 ILE 50 2HG2 ILE 50 -13.263 18.924 10.431 339 HG23 ILE 50 3HG2 ILE 50 -11.911 18.417 11.443 340 HD11 ILE 50 3HD1 ILE 50 -14.791 21.620 12.454 341 HD12 ILE 50 1HD1 ILE 50 -13.314 20.890 11.826 342 HD13 ILE 50 2HD1 ILE 50 -14.708 21.109 10.768 343 H GLY 51 H GLY 51 -13.098 16.903 15.150 344 HA2 GLY 51 2HA GLY 51 -15.460 17.372 16.844 345 HA3 GLY 51 3HA GLY 51 -14.007 16.516 17.339 346 H GLU 52 H GLU 52 -15.604 19.066 18.181 347 HA GLU 52 HA GLU 52 -13.215 20.763 18.497 348 HB2 GLU 52 2HB GLU 52 -16.046 21.795 18.480 349 HB3 GLU 52 3HB GLU 52 -14.556 22.721 18.369 350 HG2 GLU 52 2HG GLU 52 -14.129 21.625 16.169 351 HG3 GLU 52 3HG GLU 52 -15.738 20.912 16.279 352 H ARG 53 H ARG 53 -13.670 18.764 20.300 353 HA ARG 53 HA ARG 53 -13.801 18.368 22.536 354 HB2 ARG 53 2HB ARG 53 -14.078 21.343 22.932 355 HB3 ARG 53 3HB ARG 53 -13.413 20.159 24.048 356 HG2 ARG 53 2HG ARG 53 -11.495 19.830 22.612 357 HG3 ARG 53 3HG ARG 53 -12.175 20.934 21.416 358 HD2 ARG 53 2HD ARG 53 -11.899 21.982 24.163 359 HD3 ARG 53 3HD ARG 53 -10.398 21.681 23.288 360 HE ARG 53 HE ARG 53 -12.168 23.111 21.637 361 HH11 ARG 53 1HH1 ARG 53 -10.209 23.527 24.484 362 HH12 ARG 53 2HH1 ARG 53 -9.968 25.224 24.229 363 HH21 ARG 53 1HH2 ARG 53 -11.858 25.344 21.290 364 HH22 ARG 53 2HH2 ARG 53 -10.907 26.257 22.412 365 H GLY 54 H GLY 54 -16.250 18.990 20.756 366 HA2 GLY 54 2HA GLY 54 -18.166 18.960 22.990 367 HA3 GLY 54 3HA GLY 54 -18.429 20.052 21.638 368 H ALA 55 H ALA 55 -16.976 17.264 20.529 369 HA ALA 55 HA ALA 55 -19.394 16.405 19.232 370 HB1 ALA 55 1HB ALA 55 -17.685 14.515 18.495 371 HB2 ALA 55 2HB ALA 55 -17.662 16.129 17.782 372 HB3 ALA 55 3HB ALA 55 -16.516 15.711 19.056 373 H ASN 56 H ASN 56 -20.848 15.197 20.250 374 HA ASN 56 HA ASN 56 -20.246 13.643 22.561 375 HB2 ASN 56 2HB ASN 56 -22.610 14.471 21.106 376 HB3 ASN 56 3HB ASN 56 -22.720 12.777 21.574 377 HD21 ASN 56 1HD2 ASN 56 -23.342 12.324 23.569 378 HD22 ASN 56 2HD2 ASN 56 -23.434 13.452 24.875 379 H PHE 57 H PHE 57 -20.813 11.307 22.735 380 HA PHE 57 HA PHE 57 -19.307 9.805 20.853 381 HB2 PHE 57 2HB PHE 57 -21.011 9.074 23.221 382 HB3 PHE 57 3HB PHE 57 -20.313 7.831 22.187 383 HD1 PHE 57 HD2 PHE 57 -17.765 7.922 21.824 384 HD2 PHE 57 HD1 PHE 57 -19.784 9.954 24.973 385 HE1 PHE 57 HE2 PHE 57 -15.656 8.058 23.084 386 HE2 PHE 57 HE1 PHE 57 -17.678 10.093 26.238 387 HZ PHE 57 HZ PHE 57 -15.611 9.144 25.294 388 H ASP 58 H ASP 58 -22.764 10.181 21.471 389 HA ASP 58 HA ASP 58 -23.754 8.204 19.789 390 HB2 ASP 58 2HB ASP 58 -24.794 10.697 20.971 391 HB3 ASP 58 3HB ASP 58 -25.628 10.163 19.515 392 H GLN 59 H GLN 59 -22.958 11.584 19.036 393 HA GLN 59 HA GLN 59 -23.683 11.395 16.294 394 HB2 GLN 59 2HB GLN 59 -21.794 13.370 17.581 395 HB3 GLN 59 3HB GLN 59 -22.635 13.564 16.049 396 HG2 GLN 59 2HG GLN 59 -24.788 13.389 17.386 397 HG3 GLN 59 3HG GLN 59 -23.782 13.595 18.819 398 HE21 GLN 59 1HE2 GLN 59 -22.077 15.471 18.357 399 HE22 GLN 59 2HE2 GLN 59 -22.812 16.950 17.849 400 H PHE 60 H PHE 60 -20.753 10.785 18.093 401 HA PHE 60 HA PHE 60 -18.927 10.790 15.953 402 HB2 PHE 60 2HB PHE 60 -18.076 10.841 18.188 403 HB3 PHE 60 3HB PHE 60 -18.910 9.347 18.605 404 HD1 PHE 60 HD1 PHE 60 -18.066 7.197 17.846 405 HD2 PHE 60 HD2 PHE 60 -16.012 10.818 16.961 406 HE1 PHE 60 HE1 PHE 60 -16.061 5.907 17.238 407 HE2 PHE 60 HE2 PHE 60 -14.004 9.534 16.351 408 HZ PHE 60 HZ PHE 60 -14.027 7.075 16.488 409 H ILE 61 H ILE 61 -20.785 8.145 17.427 410 HA ILE 61 HA ILE 61 -19.807 6.180 15.591 411 HB ILE 61 HB ILE 61 -20.565 5.538 17.827 412 HG12 ILE 61 2HG1 ILE 61 -22.594 4.011 16.552 413 HG13 ILE 61 3HG1 ILE 61 -21.334 4.308 15.360 414 HG21 ILE 61 1HG2 ILE 61 -23.329 6.274 16.873 415 HG22 ILE 61 2HG2 ILE 61 -22.912 5.564 18.431 416 HG23 ILE 61 3HG2 ILE 61 -22.373 7.195 18.034 417 HD11 ILE 61 3HD1 ILE 61 -20.877 2.246 16.470 418 HD12 ILE 61 1HD1 ILE 61 -19.678 3.432 16.984 419 HD13 ILE 61 2HD1 ILE 61 -21.016 3.010 18.053 420 H GLU 62 H GLU 62 -22.655 8.230 15.793 421 HA GLU 62 HA GLU 62 -24.201 6.986 13.807 422 HB2 GLU 62 2HB GLU 62 -24.136 9.689 15.057 423 HB3 GLU 62 3HB GLU 62 -25.046 9.499 13.565 424 HG2 GLU 62 2HG GLU 62 -25.477 7.623 15.849 425 HG3 GLU 62 3HG GLU 62 -26.247 9.209 15.828 426 H ALA 63 H ALA 63 -21.726 9.500 13.618 427 HA ALA 63 HA ALA 63 -22.051 9.867 10.783 428 HB1 ALA 63 1HB ALA 63 -21.234 11.604 12.468 429 HB2 ALA 63 2HB ALA 63 -19.680 10.772 12.385 430 HB3 ALA 63 3HB ALA 63 -20.373 11.493 10.933 431 H ILE 64 H ILE 64 -19.517 8.455 12.852 432 HA ILE 64 HA ILE 64 -17.940 7.507 10.696 433 HB ILE 64 HB ILE 64 -18.013 6.563 13.565 434 HG12 ILE 64 2HG1 ILE 64 -17.476 8.970 13.271 435 HG13 ILE 64 3HG1 ILE 64 -16.120 8.046 13.908 436 HG21 ILE 64 1HG2 ILE 64 -15.940 6.133 11.418 437 HG22 ILE 64 2HG2 ILE 64 -15.767 5.680 13.113 438 HG23 ILE 64 3HG2 ILE 64 -16.996 4.904 12.113 439 HD11 ILE 64 3HD1 ILE 64 -14.831 8.587 12.187 440 HD12 ILE 64 1HD1 ILE 64 -16.087 8.187 11.016 441 HD13 ILE 64 2HD1 ILE 64 -16.062 9.780 11.774 442 H ASP 65 H ASP 65 -18.023 5.673 9.547 443 HA ASP 65 HA ASP 65 -20.006 3.642 10.346 444 HB2 ASP 65 2HB ASP 65 -19.385 4.846 7.678 445 HB3 ASP 65 3HB ASP 65 -19.951 3.179 7.752 446 H LYS 66 H LYS 66 -19.093 1.800 10.931 447 HA LYS 66 HA LYS 66 -16.365 1.195 10.502 448 HB2 LYS 66 2HB LYS 66 -17.501 0.309 12.433 449 HB3 LYS 66 3HB LYS 66 -18.673 -0.524 11.420 450 HG2 LYS 66 2HG LYS 66 -16.834 -1.924 10.527 451 HG3 LYS 66 3HG LYS 66 -15.739 -1.147 11.672 452 HD2 LYS 66 2HD LYS 66 -16.656 -2.209 13.478 453 HD3 LYS 66 3HD LYS 66 -18.250 -2.336 12.731 454 HE2 LYS 66 2HE LYS 66 -15.821 -3.948 11.955 455 HE3 LYS 66 3HE LYS 66 -17.141 -4.523 12.972 456 HZ1 LYS 66 3HZ LYS 66 -18.468 -3.660 10.818 457 HZ2 LYS 66 1HZ LYS 66 -17.955 -5.258 11.033 458 HZ3 LYS 66 2HZ LYS 66 -17.032 -4.192 10.099 459 H ASN 67 H ASN 67 -15.946 1.239 8.288 460 HA ASN 67 HA ASN 67 -16.116 -1.191 6.922 461 HB2 ASN 67 2HB ASN 67 -18.423 -0.880 6.534 462 HB3 ASN 67 3HB ASN 67 -18.222 0.837 6.197 463 HD21 ASN 67 1HD2 ASN 67 -16.847 -2.210 4.993 464 HD22 ASN 67 2HD2 ASN 67 -17.060 -1.839 3.319 465 H VAL 68 H VAL 68 -16.617 2.079 5.619 466 HA VAL 68 HA VAL 68 -14.521 1.868 3.744 467 HB VAL 68 HB VAL 68 -14.772 4.372 3.544 468 HG11 VAL 68 1HG1 VAL 68 -16.304 2.358 2.570 469 HG12 VAL 68 2HG1 VAL 68 -17.525 3.366 3.348 470 HG13 VAL 68 3HG1 VAL 68 -16.473 4.051 2.109 471 HG21 VAL 68 3HG2 VAL 68 -15.658 4.381 6.038 472 HG22 VAL 68 1HG2 VAL 68 -16.193 5.582 4.862 473 HG23 VAL 68 2HG2 VAL 68 -17.214 4.192 5.231 474 HA PRO 69 HA PRO 69 -10.904 2.911 6.003 475 HB2 PRO 69 2HB PRO 69 -9.497 4.291 4.136 476 HB3 PRO 69 3HB PRO 69 -9.730 2.541 4.062 477 HG2 PRO 69 2HG PRO 69 -11.195 4.710 2.608 478 HG3 PRO 69 3HG PRO 69 -10.605 3.154 1.996 479 HD2 PRO 69 2HD PRO 69 -13.195 3.567 2.668 480 HD3 PRO 69 3HD PRO 69 -12.399 1.992 2.858 481 H CYS 70 H CYS 70 -10.883 4.350 7.608 482 HA CYS 70 HA CYS 70 -10.924 7.200 6.950 483 HB2 CYS 70 2HB CYS 70 -12.594 6.018 9.176 484 HB3 CYS 70 3HB CYS 70 -12.507 7.713 8.712 485 HG CYS 70 HG CYS 70 -14.626 7.534 7.283 486 H TYR 71 H TYR 71 -9.858 8.534 8.451 487 HA TYR 71 HA TYR 71 -8.332 7.122 10.535 488 HB2 TYR 71 2HB TYR 71 -7.179 9.343 8.849 489 HB3 TYR 71 3HB TYR 71 -6.329 8.275 9.959 490 HD1 TYR 71 HD2 TYR 71 -7.982 8.479 6.669 491 HD2 TYR 71 HD1 TYR 71 -5.586 6.111 9.268 492 HE1 TYR 71 HE2 TYR 71 -7.474 6.958 4.805 493 HE2 TYR 71 HE1 TYR 71 -5.070 4.584 7.411 494 HH TYR 71 HH TYR 71 -6.763 4.612 4.484 495 H ALA 72 H ALA 72 -8.338 8.068 12.479 496 HA ALA 72 HA ALA 72 -9.283 10.854 12.663 497 HB1 ALA 72 1HB ALA 72 -11.057 9.406 13.401 498 HB2 ALA 72 2HB ALA 72 -9.958 8.546 14.481 499 HB3 ALA 72 3HB ALA 72 -10.370 10.231 14.801 500 H ALA 73 H ALA 73 -7.956 12.203 13.684 501 HA ALA 73 HA ALA 73 -5.748 11.060 15.256 502 HB1 ALA 73 1HB ALA 73 -4.923 12.298 13.398 503 HB2 ALA 73 2HB ALA 73 -5.973 13.667 13.767 504 HB3 ALA 73 3HB ALA 73 -4.635 13.266 14.844 505 H PHE 74 H PHE 74 -5.656 11.414 17.377 506 HA PHE 74 HA PHE 74 -7.398 13.503 18.512 507 HB2 PHE 74 2HB PHE 74 -6.702 10.747 19.470 508 HB3 PHE 74 3HB PHE 74 -7.174 11.987 20.627 509 HD1 PHE 74 HD2 PHE 74 -8.365 10.839 17.277 510 HD2 PHE 74 HD1 PHE 74 -9.355 11.853 21.291 511 HE1 PHE 74 HE2 PHE 74 -10.734 10.367 16.809 512 HE2 PHE 74 HE1 PHE 74 -11.725 11.382 20.829 513 HZ PHE 74 HZ PHE 74 -12.418 10.639 18.585 514 H ASP 75 H ASP 75 -6.454 15.089 19.614 515 HA ASP 75 HA ASP 75 -3.591 14.865 20.197 516 HB2 ASP 75 2HB ASP 75 -3.972 16.808 18.944 517 HB3 ASP 75 3HB ASP 75 -5.455 17.190 19.813 518 H PHE 76 H PHE 76 -2.953 14.450 22.196 519 HA PHE 76 HA PHE 76 -4.737 15.184 24.423 520 HB2 PHE 76 2HB PHE 76 -4.349 12.691 23.930 521 HB3 PHE 76 3HB PHE 76 -2.717 12.953 24.535 522 HD1 PHE 76 HD1 PHE 76 -6.282 13.418 25.492 523 HD2 PHE 76 HD2 PHE 76 -2.288 12.740 26.795 524 HE1 PHE 76 HE1 PHE 76 -7.091 13.096 27.793 525 HE2 PHE 76 HE2 PHE 76 -3.090 12.416 29.098 526 HZ PHE 76 HZ PHE 76 -5.495 12.593 29.600 527 H GLU 77 H GLU 77 -3.967 16.748 25.664 528 HA GLU 77 HA GLU 77 -1.050 16.968 26.009 529 HB2 GLU 77 2HB GLU 77 -1.694 18.782 24.589 530 HB3 GLU 77 3HB GLU 77 -3.071 19.172 25.610 531 HG2 GLU 77 2HG GLU 77 -0.649 19.275 27.142 532 HG3 GLU 77 3HG GLU 77 -0.505 20.276 25.698 533 H TYR 78 H TYR 78 -0.433 16.742 28.047 534 HA TYR 78 HA TYR 78 -1.984 17.885 30.209 535 HB2 TYR 78 2HB TYR 78 -2.489 15.253 29.553 536 HB3 TYR 78 3HB TYR 78 -1.299 15.112 30.842 537 HD1 TYR 78 HD1 TYR 78 -4.581 16.638 30.002 538 HD2 TYR 78 HD2 TYR 78 -1.930 15.385 33.085 539 HE1 TYR 78 HE1 TYR 78 -6.351 17.014 31.668 540 HE2 TYR 78 HE2 TYR 78 -3.693 15.756 34.759 541 HH TYR 78 HH TYR 78 -6.820 15.977 34.119 542 H THR 79 H THR 79 -0.832 17.246 32.383 543 HA THR 79 HA THR 79 2.079 17.217 31.956 544 HB THR 79 HB THR 79 1.444 19.534 32.363 545 HG1 THR 79 HG1 THR 79 3.207 18.177 33.726 546 HG21 THR 79 3HG2 THR 79 0.461 18.823 35.098 547 HG22 THR 79 1HG2 THR 79 -0.642 18.767 33.724 548 HG23 THR 79 2HG2 THR 79 0.165 20.277 34.147 549 H THR 80 H THR 80 0.788 14.927 32.576 550 HA THR 80 HA THR 80 0.630 14.514 35.417 551 HB THR 80 HB THR 80 0.465 12.648 33.057 552 HG1 THR 80 HG1 THR 80 -1.327 13.813 34.891 553 HG21 THR 80 3HG2 THR 80 -0.168 10.892 34.730 554 HG22 THR 80 1HG2 THR 80 0.428 11.965 35.996 555 HG23 THR 80 2HG2 THR 80 1.534 11.352 34.766 556 H ASN 81 H ASN 81 2.881 13.571 32.836 557 HA ASN 81 HA ASN 81 4.632 12.026 34.339 558 HB2 ASN 81 2HB ASN 81 5.091 13.778 31.926 559 HB3 ASN 81 3HB ASN 81 6.362 12.775 32.618 560 HD21 ASN 81 1HD2 ASN 81 5.088 12.659 29.996 561 HD22 ASN 81 2HD2 ASN 81 4.443 11.063 29.850 562 H ASP 82 H ASP 82 4.487 15.525 33.925 563 HA ASP 82 HA ASP 82 5.461 16.251 36.365 564 HB2 ASP 82 2HB ASP 82 7.584 15.214 34.694 565 HB3 ASP 82 3HB ASP 82 7.887 16.897 35.119 566 H GLY 83 H GLY 83 6.004 17.002 32.931 567 HA2 GLY 83 2HA GLY 83 5.225 19.789 33.538 568 HA3 GLY 83 3HA GLY 83 6.453 19.382 32.347 569 HA PRO 84 HA PRO 84 2.086 19.662 30.487 570 HB2 PRO 84 2HB PRO 84 2.374 22.029 29.190 571 HB3 PRO 84 3HB PRO 84 1.753 21.907 30.840 572 HG2 PRO 84 2HG PRO 84 4.510 22.598 29.901 573 HG3 PRO 84 3HG PRO 84 3.546 23.346 31.188 574 HD2 PRO 84 2HD PRO 84 5.514 21.556 31.694 575 HD3 PRO 84 3HD PRO 84 4.063 21.693 32.709 576 H ARG 85 H ARG 85 2.578 18.016 29.071 577 HA ARG 85 HA ARG 85 4.231 18.729 26.739 578 HB2 ARG 85 2HB ARG 85 4.083 16.331 28.394 579 HB3 ARG 85 3HB ARG 85 3.923 15.978 26.679 580 HG2 ARG 85 2HG ARG 85 6.241 15.835 27.423 581 HG3 ARG 85 3HG ARG 85 6.021 17.114 26.228 582 HD2 ARG 85 2HD ARG 85 6.875 18.593 27.645 583 HD3 ARG 85 3HD ARG 85 5.594 18.231 28.801 584 HE ARG 85 HE ARG 85 7.507 16.228 29.031 585 HH11 ARG 85 1HH1 ARG 85 7.261 19.665 29.530 586 HH12 ARG 85 2HH1 ARG 85 8.453 19.700 30.787 587 HH21 ARG 85 1HH2 ARG 85 9.077 16.261 30.685 588 HH22 ARG 85 2HH2 ARG 85 9.486 17.763 31.443 589 H ASP 86 H ASP 86 3.574 17.267 24.776 590 HA ASP 86 HA ASP 86 0.683 16.929 24.584 591 HB2 ASP 86 2HB ASP 86 0.370 18.377 22.758 592 HB3 ASP 86 3HB ASP 86 1.376 19.301 23.870 593 H LYS 87 H LYS 87 0.111 15.254 23.320 594 HA LYS 87 HA LYS 87 2.104 14.141 21.472 595 HB2 LYS 87 2HB LYS 87 1.983 12.956 23.761 596 HB3 LYS 87 3HB LYS 87 0.422 12.357 23.215 597 HG2 LYS 87 2HG LYS 87 1.567 10.650 22.363 598 HG3 LYS 87 3HG LYS 87 2.051 11.775 21.092 599 HD2 LYS 87 2HD LYS 87 3.776 12.227 23.274 600 HD3 LYS 87 3HD LYS 87 3.665 10.477 23.072 601 HE2 LYS 87 2HE LYS 87 4.741 10.510 21.091 602 HE3 LYS 87 3HE LYS 87 3.973 12.014 20.583 603 HZ1 LYS 87 3HZ LYS 87 6.205 12.557 20.851 604 HZ2 LYS 87 1HZ LYS 87 6.369 11.654 22.273 605 HZ3 LYS 87 2HZ LYS 87 5.497 13.103 22.287 606 H LEU 88 H LEU 88 1.292 13.274 19.609 607 HA LEU 88 HA LEU 88 -1.608 13.569 19.215 608 HB2 LEU 88 2HB LEU 88 0.756 13.933 17.445 609 HB3 LEU 88 3HB LEU 88 -0.764 13.416 16.718 610 HG LEU 88 HG LEU 88 -1.788 15.472 17.860 611 HD11 LEU 88 1HD1 LEU 88 0.572 17.041 17.727 612 HD12 LEU 88 2HD1 LEU 88 0.875 15.680 18.806 613 HD13 LEU 88 3HD1 LEU 88 -0.488 16.757 19.108 614 HD21 LEU 88 3HD2 LEU 88 -0.952 15.057 15.375 615 HD22 LEU 88 1HD2 LEU 88 0.170 16.346 15.811 616 HD23 LEU 88 2HD2 LEU 88 -1.569 16.622 15.909 617 H ILE 89 H ILE 89 -2.821 11.854 18.687 618 HA ILE 89 HA ILE 89 -1.428 9.315 18.138 619 HB ILE 89 HB ILE 89 -4.219 9.410 19.216 620 HG12 ILE 89 2HG1 ILE 89 -3.007 10.808 20.765 621 HG13 ILE 89 3HG1 ILE 89 -3.247 9.233 21.512 622 HG21 ILE 89 1HG2 ILE 89 -2.205 7.418 18.670 623 HG22 ILE 89 2HG2 ILE 89 -2.751 7.333 20.344 624 HG23 ILE 89 3HG2 ILE 89 -3.919 7.215 19.029 625 HD11 ILE 89 3HD1 ILE 89 -0.810 10.645 20.952 626 HD12 ILE 89 1HD1 ILE 89 -1.078 9.207 21.938 627 HD13 ILE 89 2HD1 ILE 89 -0.798 9.048 20.204 628 H LEU 90 H LEU 90 -2.283 7.916 16.583 629 HA LEU 90 HA LEU 90 -4.375 9.049 14.850 630 HB2 LEU 90 2HB LEU 90 -2.191 9.404 13.824 631 HB3 LEU 90 3HB LEU 90 -1.834 7.684 13.970 632 HG LEU 90 HG LEU 90 -4.246 8.443 12.418 633 HD11 LEU 90 1HD1 LEU 90 -1.431 8.871 11.432 634 HD12 LEU 90 2HD1 LEU 90 -2.696 10.087 11.599 635 HD13 LEU 90 3HD1 LEU 90 -2.859 8.805 10.399 636 HD21 LEU 90 3HD2 LEU 90 -3.345 6.583 10.992 637 HD22 LEU 90 1HD2 LEU 90 -3.765 6.125 12.642 638 HD23 LEU 90 2HD2 LEU 90 -2.075 6.366 12.198 639 H ILE 91 H ILE 91 -6.052 7.730 14.692 640 HA ILE 91 HA ILE 91 -5.598 4.833 14.999 641 HB ILE 91 HB ILE 91 -8.077 6.409 15.703 642 HG12 ILE 91 2HG1 ILE 91 -7.267 5.175 17.989 643 HG13 ILE 91 3HG1 ILE 91 -5.715 5.513 17.231 644 HG21 ILE 91 1HG2 ILE 91 -8.729 4.175 16.747 645 HG22 ILE 91 2HG2 ILE 91 -8.826 4.305 14.992 646 HG23 ILE 91 3HG2 ILE 91 -7.464 3.471 15.741 647 HD11 ILE 91 3HD1 ILE 91 -7.420 7.817 17.089 648 HD12 ILE 91 1HD1 ILE 91 -7.280 7.245 18.751 649 HD13 ILE 91 2HD1 ILE 91 -5.829 7.638 17.828 650 H SER 92 H SER 92 -5.974 3.657 13.250 651 HA SER 92 HA SER 92 -7.575 4.815 11.082 652 HB2 SER 92 2HB SER 92 -5.972 2.310 10.747 653 HB3 SER 92 3HB SER 92 -6.323 3.579 9.575 654 HG SER 92 HG SER 92 -4.106 3.380 10.668 655 H TRP 93 H TRP 93 -9.443 3.930 10.416 656 HA TRP 93 HA TRP 93 -10.433 1.610 11.907 657 HB2 TRP 93 2HB TRP 93 -11.997 3.511 10.150 658 HB3 TRP 93 3HB TRP 93 -12.651 2.321 11.273 659 HD1 TRP 93 HD1 TRP 93 -11.949 5.892 11.066 660 HE1 TRP 93 HE1 TRP 93 -11.923 6.977 13.400 661 HE3 TRP 93 HE3 TRP 93 -11.698 1.661 13.924 662 HZ2 TRP 93 HZ2 TRP 93 -11.810 6.148 16.096 663 HZ3 TRP 93 HZ3 TRP 93 -11.635 1.894 16.373 664 HH2 TRP 93 HH2 TRP 93 -11.689 4.092 17.434 665 H ASN 94 H ASN 94 -10.261 -0.305 10.962 666 HA ASN 94 HA ASN 94 -11.203 -0.758 8.304 667 HB2 ASN 94 2HB ASN 94 -8.942 -1.795 7.590 668 HB3 ASN 94 3HB ASN 94 -9.125 -0.046 7.492 669 HD21 ASN 94 1HD2 ASN 94 -8.175 1.248 9.142 670 HD22 ASN 94 2HD2 ASN 94 -6.809 0.668 10.027 671 HA PRO 95 HA PRO 95 -11.643 -4.337 11.139 672 HB2 PRO 95 2HB PRO 95 -14.106 -5.019 10.226 673 HB3 PRO 95 3HB PRO 95 -13.849 -3.788 11.467 674 HG2 PRO 95 2HG PRO 95 -14.336 -3.447 8.533 675 HG3 PRO 95 3HG PRO 95 -15.021 -2.539 9.893 676 HD2 PRO 95 2HD PRO 95 -12.971 -1.596 8.397 677 HD3 PRO 95 3HD PRO 95 -13.142 -1.224 10.124 678 H ASP 96 H ASP 96 -10.904 -6.303 10.638 679 HA ASP 96 HA ASP 96 -10.136 -7.044 8.059 680 HB2 ASP 96 2HB ASP 96 -10.618 -8.754 10.507 681 HB3 ASP 96 3HB ASP 96 -9.842 -9.332 9.035 682 H SER 97 H SER 97 -13.166 -7.368 9.689 683 HA SER 97 HA SER 97 -14.169 -9.230 7.662 684 HB2 SER 97 2HB SER 97 -15.149 -8.359 10.362 685 HB3 SER 97 3HB SER 97 -16.277 -9.063 9.203 686 HG SER 97 HG SER 97 -15.088 -10.511 10.746 687 H GLY 98 H GLY 98 -13.630 -6.156 7.554 688 HA2 GLY 98 2HA GLY 98 -16.237 -5.061 6.997 689 HA3 GLY 98 3HA GLY 98 -14.693 -4.261 6.749 690 H ALA 99 H ALA 99 -14.038 -3.975 4.720 691 HA ALA 99 HA ALA 99 -15.172 -5.712 2.629 692 HB1 ALA 99 1HB ALA 99 -16.310 -3.944 1.891 693 HB2 ALA 99 2HB ALA 99 -15.421 -2.834 2.935 694 HB3 ALA 99 3HB ALA 99 -14.756 -3.295 1.368 695 HA PRO 100 HA PRO 100 -11.108 -6.242 1.063 696 HB2 PRO 100 2HB PRO 100 -11.517 -6.255 -1.621 697 HB3 PRO 100 3HB PRO 100 -12.015 -7.584 -0.567 698 HG2 PRO 100 2HG PRO 100 -13.649 -5.340 -1.688 699 HG3 PRO 100 3HG PRO 100 -14.055 -7.061 -1.553 700 HD2 PRO 100 2HD PRO 100 -14.976 -5.205 0.191 701 HD3 PRO 100 3HD PRO 100 -14.631 -6.879 0.672 702 H ARG 101 H ARG 101 -12.875 -3.770 -0.809 703 HA ARG 101 HA ARG 101 -10.584 -2.406 -1.715 704 HB2 ARG 101 2HB ARG 101 -13.479 -1.645 -1.445 705 HB3 ARG 101 3HB ARG 101 -12.284 -0.470 -1.978 706 HG2 ARG 101 2HG ARG 101 -11.665 -2.390 -3.678 707 HG3 ARG 101 3HG ARG 101 -13.331 -2.877 -3.361 708 HD2 ARG 101 2HD ARG 101 -13.505 -0.144 -3.729 709 HD3 ARG 101 3HD ARG 101 -12.301 -0.647 -4.915 710 HE ARG 101 HE ARG 101 -15.097 -1.114 -5.035 711 HH11 ARG 101 1HH1 ARG 101 -12.021 -2.553 -5.798 712 HH12 ARG 101 2HH1 ARG 101 -12.647 -3.521 -7.092 713 HH21 ARG 101 1HH2 ARG 101 -15.934 -2.382 -6.736 714 HH22 ARG 101 2HH2 ARG 101 -14.873 -3.422 -7.625 715 H THR 102 H THR 102 -12.542 -2.089 1.184 716 HA THR 102 HA THR 102 -11.490 0.364 2.094 717 HB THR 102 HB THR 102 -12.439 -0.153 4.235 718 HG1 THR 102 HG1 THR 102 -12.949 -2.212 4.851 719 HG21 THR 102 3HG2 THR 102 -14.729 -0.836 3.609 720 HG22 THR 102 1HG2 THR 102 -14.132 -1.328 2.026 721 HG23 THR 102 2HG2 THR 102 -14.064 0.367 2.505 722 H LYS 103 H LYS 103 -10.565 -2.997 2.768 723 HA LYS 103 HA LYS 103 -8.475 -2.348 4.571 724 HB2 LYS 103 2HB LYS 103 -9.433 -4.772 3.171 725 HB3 LYS 103 3HB LYS 103 -7.739 -4.781 3.647 726 HG2 LYS 103 2HG LYS 103 -9.817 -4.008 5.641 727 HG3 LYS 103 3HG LYS 103 -9.566 -5.712 5.251 728 HD2 LYS 103 2HD LYS 103 -7.141 -4.113 5.805 729 HD3 LYS 103 3HD LYS 103 -8.209 -4.423 7.176 730 HE2 LYS 103 2HE LYS 103 -8.034 -6.782 6.872 731 HE3 LYS 103 3HE LYS 103 -7.205 -6.580 5.329 732 HZ1 LYS 103 3HZ LYS 103 -6.154 -5.919 8.024 733 HZ2 LYS 103 1HZ LYS 103 -5.378 -5.493 6.582 734 HZ3 LYS 103 2HZ LYS 103 -5.596 -7.124 6.975 735 H MET 104 H MET 104 -8.607 -2.874 1.090 736 HA MET 104 HA MET 104 -5.793 -2.853 0.682 737 HB2 MET 104 2HB MET 104 -8.015 -3.401 -0.874 738 HB3 MET 104 3HB MET 104 -7.381 -1.922 -1.583 739 HG2 MET 104 2HG MET 104 -6.416 -3.761 -2.735 740 HG3 MET 104 3HG MET 104 -5.161 -3.025 -1.742 741 HE1 MET 104 3HE MET 104 -4.443 -5.308 -2.931 742 HE2 MET 104 1HE MET 104 -3.469 -5.569 -1.484 743 HE3 MET 104 2HE MET 104 -4.505 -6.859 -2.093 744 H LEU 105 H LEU 105 -8.318 -0.380 0.295 745 HA LEU 105 HA LEU 105 -6.715 1.694 -0.635 746 HB2 LEU 105 2HB LEU 105 -9.296 1.533 0.830 747 HB3 LEU 105 3HB LEU 105 -8.501 3.102 0.720 748 HG LEU 105 HG LEU 105 -9.111 1.454 -1.719 749 HD11 LEU 105 1HD1 LEU 105 -11.278 1.861 -1.525 750 HD12 LEU 105 2HD1 LEU 105 -10.950 3.591 -1.441 751 HD13 LEU 105 3HD1 LEU 105 -11.005 2.632 0.038 752 HD21 LEU 105 3HD2 LEU 105 -8.195 4.222 -1.136 753 HD22 LEU 105 1HD2 LEU 105 -9.230 3.960 -2.540 754 HD23 LEU 105 2HD2 LEU 105 -7.693 3.106 -2.407 755 H TYR 106 H TYR 106 -7.127 0.428 2.587 756 HA TYR 106 HA TYR 106 -6.113 2.580 4.068 757 HB2 TYR 106 2HB TYR 106 -7.214 0.810 5.231 758 HB3 TYR 106 3HB TYR 106 -6.104 -0.394 4.587 759 HD1 TYR 106 HD1 TYR 106 -5.923 2.786 6.555 760 HD2 TYR 106 HD2 TYR 106 -4.512 -1.195 6.042 761 HE1 TYR 106 HE1 TYR 106 -4.503 3.040 8.547 762 HE2 TYR 106 HE2 TYR 106 -3.089 -0.953 8.033 763 HH TYR 106 HH TYR 106 -2.177 0.584 9.468 764 H SER 107 H SER 107 -4.488 -0.141 2.500 765 HA SER 107 HA SER 107 -1.885 0.620 3.443 766 HB2 SER 107 2HB SER 107 -2.599 -1.740 2.841 767 HB3 SER 107 3HB SER 107 -2.504 -1.248 1.150 768 HG SER 107 HG SER 107 -0.531 -2.022 2.763 769 H SER 108 H SER 108 -3.709 0.982 0.443 770 HA SER 108 HA SER 108 -1.609 2.079 -1.096 771 HB2 SER 108 2HB SER 108 -4.611 2.166 -1.345 772 HB3 SER 108 3HB SER 108 -3.564 3.005 -2.489 773 HG SER 108 HG SER 108 -3.776 0.236 -1.985 774 H SER 109 H SER 109 -3.716 3.409 1.299 775 HA SER 109 HA SER 109 -2.946 6.146 0.581 776 HB2 SER 109 2HB SER 109 -5.381 5.430 1.089 777 HB3 SER 109 3HB SER 109 -4.871 5.417 2.777 778 HG SER 109 HG SER 109 -5.758 7.442 2.103 779 H ARG 110 H ARG 110 -2.299 3.646 2.836 780 HA ARG 110 HA ARG 110 -1.470 5.131 5.067 781 HB2 ARG 110 2HB ARG 110 -1.295 2.389 4.150 782 HB3 ARG 110 3HB ARG 110 0.187 2.881 4.959 783 HG2 ARG 110 2HG ARG 110 -1.692 3.838 6.669 784 HG3 ARG 110 3HG ARG 110 -2.484 2.387 6.050 785 HD2 ARG 110 2HD ARG 110 -1.277 1.207 7.497 786 HD3 ARG 110 3HD ARG 110 0.150 1.621 6.548 787 HE ARG 110 HE ARG 110 -0.347 3.742 8.278 788 HH11 ARG 110 1HH1 ARG 110 0.536 0.379 8.455 789 HH12 ARG 110 2HH1 ARG 110 1.419 0.554 9.935 790 HH21 ARG 110 1HH2 ARG 110 0.813 3.985 10.227 791 HH22 ARG 110 2HH2 ARG 110 1.575 2.606 10.943 792 H ASP 111 H ASP 111 0.244 4.144 2.146 793 HA ASP 111 HA ASP 111 2.825 4.930 2.939 794 HB2 ASP 111 2HB ASP 111 1.743 3.721 0.719 795 HB3 ASP 111 3HB ASP 111 2.237 5.289 0.088 796 H ALA 112 H ALA 112 0.216 6.692 1.332 797 HA ALA 112 HA ALA 112 1.776 9.091 1.035 798 HB1 ALA 112 1HB ALA 112 -0.297 8.204 -0.341 799 HB2 ALA 112 2HB ALA 112 -1.189 9.147 0.853 800 HB3 ALA 112 3HB ALA 112 0.023 9.929 -0.161 801 H LEU 113 H LEU 113 -0.287 7.720 3.446 802 HA LEU 113 HA LEU 113 -0.765 10.227 4.805 803 HB2 LEU 113 2HB LEU 113 -1.639 7.439 5.068 804 HB3 LEU 113 3HB LEU 113 -1.434 8.288 6.599 805 HG LEU 113 HG LEU 113 -3.058 9.545 4.429 806 HD11 LEU 113 1HD1 LEU 113 -4.539 7.909 6.365 807 HD12 LEU 113 2HD1 LEU 113 -3.636 7.000 5.153 808 HD13 LEU 113 3HD1 LEU 113 -4.835 8.191 4.650 809 HD21 LEU 113 3HD2 LEU 113 -3.036 11.042 6.114 810 HD22 LEU 113 1HD2 LEU 113 -2.642 9.828 7.331 811 HD23 LEU 113 2HD2 LEU 113 -4.306 10.009 6.774 812 H VAL 114 H VAL 114 1.559 7.669 4.878 813 HA VAL 114 HA VAL 114 2.546 7.776 7.453 814 HB VAL 114 HB VAL 114 3.773 7.161 4.811 815 HG11 VAL 114 1HG1 VAL 114 5.309 7.795 7.306 816 HG12 VAL 114 2HG1 VAL 114 5.925 6.641 6.123 817 HG13 VAL 114 3HG1 VAL 114 5.618 8.312 5.649 818 HG21 VAL 114 3HG2 VAL 114 2.616 5.733 6.938 819 HG22 VAL 114 1HG2 VAL 114 3.373 5.082 5.483 820 HG23 VAL 114 2HG2 VAL 114 4.333 5.327 6.943 821 HA PRO 115 HA PRO 115 5.467 11.403 6.132 822 HB2 PRO 115 2HB PRO 115 4.875 12.674 3.807 823 HB3 PRO 115 3HB PRO 115 5.958 11.281 3.891 824 HG2 PRO 115 2HG PRO 115 3.068 11.389 3.118 825 HG3 PRO 115 3HG PRO 115 4.395 10.488 2.362 826 HD2 PRO 115 2HD PRO 115 2.617 9.327 4.042 827 HD3 PRO 115 3HD PRO 115 4.309 8.800 3.929 828 H LEU 116 H LEU 116 2.084 11.684 5.133 829 HA LEU 116 HA LEU 116 1.787 14.427 5.754 830 HB2 LEU 116 2HB LEU 116 0.241 12.502 4.564 831 HB3 LEU 116 3HB LEU 116 -0.606 12.781 6.084 832 HG LEU 116 HG LEU 116 -1.530 14.131 4.270 833 HD11 LEU 116 1HD1 LEU 116 -0.274 16.273 5.798 834 HD12 LEU 116 2HD1 LEU 116 -0.902 14.968 6.803 835 HD13 LEU 116 3HD1 LEU 116 -1.970 15.806 5.678 836 HD21 LEU 116 3HD2 LEU 116 -0.326 15.637 3.002 837 HD22 LEU 116 1HD2 LEU 116 0.821 14.308 3.168 838 HD23 LEU 116 2HD2 LEU 116 0.985 15.744 4.179 839 H THR 117 H THR 117 1.531 11.497 7.648 840 HA THR 117 HA THR 117 1.133 13.155 10.048 841 HB THR 117 HB THR 117 -0.130 11.176 11.023 842 HG1 THR 117 HG1 THR 117 -0.021 9.493 9.715 843 HG21 THR 117 3HG2 THR 117 -1.040 13.384 9.836 844 HG22 THR 117 1HG2 THR 117 -2.119 12.135 10.456 845 HG23 THR 117 2HG2 THR 117 -1.728 12.190 8.737 846 H GLN 118 H GLN 118 3.642 12.610 9.350 847 HA GLN 118 HA GLN 118 4.539 10.133 10.553 848 HB2 GLN 118 2HB GLN 118 5.735 10.837 8.608 849 HB3 GLN 118 3HB GLN 118 5.995 12.444 9.273 850 HG2 GLN 118 2HG GLN 118 7.554 11.635 10.858 851 HG3 GLN 118 3HG GLN 118 7.130 9.958 10.518 852 HE21 GLN 118 1HE2 GLN 118 9.716 10.583 10.453 853 HE22 GLN 118 2HE2 GLN 118 10.309 10.632 8.831 854 H GLY 119 H GLY 119 5.020 9.892 12.631 855 HA2 GLY 119 2HA GLY 119 6.372 10.699 14.515 856 HA3 GLY 119 3HA GLY 119 5.738 12.304 14.180 857 H PHE 120 H PHE 120 3.349 9.992 13.759 858 HA PHE 120 HA PHE 120 2.384 10.367 16.517 859 HB2 PHE 120 2HB PHE 120 0.572 10.203 14.112 860 HB3 PHE 120 3HB PHE 120 0.168 10.723 15.745 861 HD1 PHE 120 HD2 PHE 120 2.421 12.575 16.281 862 HD2 PHE 120 HD1 PHE 120 0.014 12.047 12.811 863 HE1 PHE 120 HE2 PHE 120 2.841 14.912 15.639 864 HE2 PHE 120 HE1 PHE 120 0.431 14.384 12.163 865 HZ PHE 120 HZ PHE 120 1.845 15.820 13.578 866 H GLN 121 H GLN 121 1.424 8.636 17.511 867 HA GLN 121 HA GLN 121 2.143 6.056 16.661 868 HB2 GLN 121 2HB GLN 121 0.241 7.057 18.769 869 HB3 GLN 121 3HB GLN 121 0.485 5.339 18.484 870 HG2 GLN 121 2HG GLN 121 2.776 7.187 19.047 871 HG3 GLN 121 3HG GLN 121 1.836 6.441 20.339 872 HE21 GLN 121 1HE2 GLN 121 3.698 5.342 21.038 873 HE22 GLN 121 2HE2 GLN 121 4.288 3.950 20.202 874 H GLY 122 H GLY 122 1.371 5.542 14.642 875 HA2 GLY 122 2HA GLY 122 -1.504 5.719 14.145 876 HA3 GLY 122 3HA GLY 122 -0.267 5.331 12.959 877 H ILE 123 H ILE 123 -2.735 4.094 14.816 878 HA ILE 123 HA ILE 123 -1.789 1.352 14.328 879 HB ILE 123 HB ILE 123 -3.385 2.159 16.757 880 HG12 ILE 123 2HG1 ILE 123 -0.854 1.214 17.533 881 HG13 ILE 123 3HG1 ILE 123 -0.551 2.370 16.241 882 HG21 ILE 123 1HG2 ILE 123 -2.271 -0.406 15.717 883 HG22 ILE 123 2HG2 ILE 123 -2.434 -0.169 17.456 884 HG23 ILE 123 3HG2 ILE 123 -3.854 -0.069 16.416 885 HD11 ILE 123 3HD1 ILE 123 -1.605 4.113 17.428 886 HD12 ILE 123 1HD1 ILE 123 -2.286 2.994 18.608 887 HD13 ILE 123 2HD1 ILE 123 -0.548 3.292 18.576 888 H GLN 124 H GLN 124 -3.232 0.015 13.394 889 HA GLN 124 HA GLN 124 -5.848 1.137 12.723 890 HB2 GLN 124 2HB GLN 124 -5.933 -0.771 11.088 891 HB3 GLN 124 3HB GLN 124 -4.632 0.381 10.815 892 HG2 GLN 124 2HG GLN 124 -3.110 -1.213 10.967 893 HG3 GLN 124 3HG GLN 124 -3.729 -1.723 12.537 894 HE21 GLN 124 1HE2 GLN 124 -3.229 -2.629 9.384 895 HE22 GLN 124 2HE2 GLN 124 -4.278 -4.000 9.323 896 H ALA 125 H ALA 125 -7.557 0.570 13.877 897 HA ALA 125 HA ALA 125 -7.873 -2.190 14.752 898 HB1 ALA 125 1HB ALA 125 -6.806 -1.305 16.677 899 HB2 ALA 125 2HB ALA 125 -7.815 0.142 16.653 900 HB3 ALA 125 3HB ALA 125 -8.525 -1.421 17.055 901 H ASN 126 H ASN 126 -9.944 -2.860 14.660 902 HA ASN 126 HA ASN 126 -11.981 -0.825 14.052 903 HB2 ASN 126 2HB ASN 126 -13.052 -2.340 12.645 904 HB3 ASN 126 3HB ASN 126 -11.353 -2.721 12.378 905 HD21 ASN 126 1HD2 ASN 126 -10.474 -4.586 13.376 906 HD22 ASN 126 2HD2 ASN 126 -11.494 -5.902 13.837 907 H ASP 127 H ASP 127 -14.142 -1.173 14.861 908 HA ASP 127 HA ASP 127 -15.659 -1.577 16.508 909 HB2 ASP 127 2HB ASP 127 -14.670 -4.033 15.865 910 HB3 ASP 127 3HB ASP 127 -14.305 -3.965 17.587 911 H ALA 128 H ALA 128 -15.365 -2.705 19.058 912 HA ALA 128 HA ALA 128 -14.488 -0.567 20.572 913 HB1 ALA 128 1HB ALA 128 -14.833 -1.886 22.462 914 HB2 ALA 128 2HB ALA 128 -15.909 -2.595 21.257 915 HB3 ALA 128 3HB ALA 128 -14.369 -3.370 21.629 916 H SER 129 H SER 129 -12.654 -3.152 19.169 917 HA SER 129 HA SER 129 -10.377 -3.111 20.792 918 HB2 SER 129 2HB SER 129 -11.162 -4.409 18.442 919 HB3 SER 129 3HB SER 129 -9.707 -3.517 17.999 920 HG SER 129 HG SER 129 -8.892 -5.332 18.822 921 H GLY 130 H GLY 130 -11.523 -0.856 18.440 922 HA2 GLY 130 2HA GLY 130 -8.928 0.539 18.447 923 HA3 GLY 130 3HA GLY 130 -10.195 0.766 17.251 924 H LEU 131 H LEU 131 -11.708 0.579 20.163 925 HA LEU 131 HA LEU 131 -11.657 3.507 20.488 926 HB2 LEU 131 2HB LEU 131 -13.911 1.692 21.300 927 HB3 LEU 131 3HB LEU 131 -13.928 3.448 21.151 928 HG LEU 131 HG LEU 131 -13.521 1.675 18.762 929 HD11 LEU 131 1HD1 LEU 131 -15.641 1.029 18.738 930 HD12 LEU 131 2HD1 LEU 131 -16.194 2.690 18.952 931 HD13 LEU 131 3HD1 LEU 131 -15.826 1.696 20.361 932 HD21 LEU 131 3HD2 LEU 131 -14.009 3.558 17.509 933 HD22 LEU 131 1HD2 LEU 131 -13.087 4.229 18.853 934 HD23 LEU 131 2HD2 LEU 131 -14.846 4.356 18.841 935 H ASP 132 H ASP 132 -9.987 1.368 21.772 936 HA ASP 132 HA ASP 132 -10.841 1.413 24.544 937 HB2 ASP 132 2HB ASP 132 -8.410 0.234 23.189 938 HB3 ASP 132 3HB ASP 132 -8.721 0.120 24.918 939 H PHE 133 H PHE 133 -10.681 3.459 25.334 940 HA PHE 133 HA PHE 133 -8.744 5.356 24.763 941 HB2 PHE 133 2HB PHE 133 -10.935 5.578 26.117 942 HB3 PHE 133 3HB PHE 133 -9.957 5.111 27.505 943 HD1 PHE 133 HD2 PHE 133 -10.049 7.573 24.715 944 HD2 PHE 133 HD1 PHE 133 -8.843 6.733 28.709 945 HE1 PHE 133 HE2 PHE 133 -9.325 9.909 24.984 946 HE2 PHE 133 HE1 PHE 133 -8.118 9.068 28.985 947 HZ PHE 133 HZ PHE 133 -8.358 10.659 27.121 948 H GLU 134 H GLU 134 -8.733 2.810 27.212 949 HA GLU 134 HA GLU 134 -6.442 3.557 28.610 950 HB2 GLU 134 2HB GLU 134 -8.193 1.613 28.975 951 HB3 GLU 134 3HB GLU 134 -6.991 0.664 28.112 952 HG2 GLU 134 2HG GLU 134 -5.304 1.407 29.785 953 HG3 GLU 134 3HG GLU 134 -6.612 2.167 30.688 954 H GLU 135 H GLU 135 -6.808 1.861 25.564 955 HA GLU 135 HA GLU 135 -4.135 0.955 25.337 956 HB2 GLU 135 2HB GLU 135 -6.515 0.811 23.801 957 HB3 GLU 135 3HB GLU 135 -5.263 1.470 22.757 958 HG2 GLU 135 2HG GLU 135 -3.813 -0.458 23.451 959 HG3 GLU 135 3HG GLU 135 -5.235 -1.146 24.233 960 H ILE 136 H ILE 136 -5.787 3.895 24.288 961 HA ILE 136 HA ILE 136 -3.609 4.968 22.825 962 HB ILE 136 HB ILE 136 -5.936 6.393 24.120 963 HG12 ILE 136 2HG1 ILE 136 -6.612 4.724 22.449 964 HG13 ILE 136 3HG1 ILE 136 -6.916 6.359 21.871 965 HG21 ILE 136 1HG2 ILE 136 -3.785 7.321 22.252 966 HG22 ILE 136 2HG2 ILE 136 -5.363 8.106 22.290 967 HG23 ILE 136 3HG2 ILE 136 -4.362 8.068 23.742 968 HD11 ILE 136 3HD1 ILE 136 -4.842 6.242 20.551 969 HD12 ILE 136 1HD1 ILE 136 -4.628 4.574 21.081 970 HD13 ILE 136 2HD1 ILE 136 -6.022 5.014 20.093 971 H SER 137 H SER 137 -4.784 5.528 26.132 972 HA SER 137 HA SER 137 -2.871 7.454 26.849 973 HB2 SER 137 2HB SER 137 -4.468 5.500 28.511 974 HB3 SER 137 3HB SER 137 -3.424 6.734 29.218 975 HG SER 137 HG SER 137 -5.860 6.995 27.902 976 H ARG 138 H ARG 138 -2.844 3.929 27.066 977 HA ARG 138 HA ARG 138 -0.390 3.745 28.485 978 HB2 ARG 138 2HB ARG 138 -1.958 1.899 28.507 979 HB3 ARG 138 3HB ARG 138 -1.846 1.736 26.760 980 HG2 ARG 138 2HG ARG 138 0.740 1.546 28.075 981 HG3 ARG 138 3HG ARG 138 -0.405 0.317 28.617 982 HD2 ARG 138 2HD ARG 138 -0.108 0.860 25.698 983 HD3 ARG 138 3HD ARG 138 1.115 -0.103 26.526 984 HE ARG 138 HE ARG 138 -1.379 -1.140 27.204 985 HH11 ARG 138 1HH1 ARG 138 0.626 -0.773 24.382 986 HH12 ARG 138 2HH1 ARG 138 0.002 -2.183 23.594 987 HH21 ARG 138 1HH2 ARG 138 -2.210 -2.999 26.177 988 HH22 ARG 138 2HH2 ARG 138 -1.612 -3.449 24.615 989 H LYS 139 H LYS 139 -1.244 3.808 25.075 990 HA LYS 139 HA LYS 139 1.273 3.059 24.044 991 HB2 LYS 139 2HB LYS 139 -1.240 4.098 23.012 992 HB3 LYS 139 3HB LYS 139 0.144 4.772 22.161 993 HG2 LYS 139 2HG LYS 139 0.649 2.823 21.167 994 HG3 LYS 139 3HG LYS 139 0.233 1.866 22.591 995 HD2 LYS 139 2HD LYS 139 -2.165 2.227 22.075 996 HD3 LYS 139 3HD LYS 139 -1.689 3.070 20.599 997 HE2 LYS 139 2HE LYS 139 -2.192 0.861 19.945 998 HE3 LYS 139 3HE LYS 139 -0.433 0.966 19.964 999 HZ1 LYS 139 3HZ LYS 139 -0.280 -0.487 21.649 1000 HZ2 LYS 139 1HZ LYS 139 -1.820 -0.977 21.150 1001 HZ3 LYS 139 2HZ LYS 139 -1.653 0.098 22.445 1002 H VAL 140 H VAL 140 -0.177 6.257 24.611 1003 HA VAL 140 HA VAL 140 2.085 7.730 23.744 1004 HB VAL 140 HB VAL 140 -0.113 8.766 23.835 1005 HG11 VAL 140 1HG1 VAL 140 0.103 8.580 26.837 1006 HG12 VAL 140 2HG1 VAL 140 -1.220 9.293 25.913 1007 HG13 VAL 140 3HG1 VAL 140 -0.924 7.555 25.834 1008 HG21 VAL 140 3HG2 VAL 140 0.575 10.867 24.534 1009 HG22 VAL 140 1HG2 VAL 140 1.492 10.224 25.896 1010 HG23 VAL 140 2HG2 VAL 140 2.108 10.041 24.254 1011 H LYS 141 H LYS 141 1.039 6.518 26.884 1012 HA LYS 141 HA LYS 141 3.036 7.867 28.397 1013 HB2 LYS 141 2HB LYS 141 0.975 7.058 29.431 1014 HB3 LYS 141 3HB LYS 141 1.416 5.398 29.049 1015 HG2 LYS 141 2HG LYS 141 2.767 5.225 30.820 1016 HG3 LYS 141 3HG LYS 141 3.443 6.838 30.585 1017 HD2 LYS 141 2HD LYS 141 2.330 7.153 32.562 1018 HD3 LYS 141 3HD LYS 141 1.055 7.585 31.421 1019 HE2 LYS 141 2HE LYS 141 -0.206 5.814 31.980 1020 HE3 LYS 141 3HE LYS 141 1.182 4.729 32.052 1021 HZ1 LYS 141 3HZ LYS 141 0.841 6.720 34.178 1022 HZ2 LYS 141 1HZ LYS 141 1.540 5.181 34.246 1023 HZ3 LYS 141 2HZ LYS 141 -0.142 5.344 34.196 1024 H SER 142 H SER 142 2.902 4.833 26.676 1025 HA SER 142 HA SER 142 5.187 3.643 27.867 1026 HB2 SER 142 2HB SER 142 3.517 2.314 26.656 1027 HB3 SER 142 3HB SER 142 3.935 3.139 25.155 1028 HG SER 142 HG SER 142 5.747 1.606 26.712 1029 H ASN 143 H ASN 143 4.700 5.745 25.088 1030 HA ASN 143 HA ASN 143 6.144 6.946 23.805 1031 HB2 ASN 143 2HB ASN 143 7.045 7.327 26.279 1032 HB3 ASN 143 3HB ASN 143 8.428 6.434 25.654 1033 HD21 ASN 143 1HD2 ASN 143 9.622 8.386 26.016 1034 HD22 ASN 143 2HD2 ASN 143 9.568 9.658 24.849 1035 H ARG 144 H ARG 144 5.916 4.031 23.511 1036 HA ARG 144 HA ARG 144 8.260 3.656 21.827 1037 HB2 ARG 144 2HB ARG 144 7.688 2.099 24.277 1038 HB3 ARG 144 3HB ARG 144 8.134 1.161 22.858 1039 HG2 ARG 144 2HG ARG 144 10.270 1.889 22.877 1040 HG3 ARG 144 3HG ARG 144 9.833 3.494 23.467 1041 HD2 ARG 144 2HD ARG 144 9.801 2.814 25.679 1042 HD3 ARG 144 3HD ARG 144 9.554 1.120 25.259 1043 HE ARG 144 HE ARG 144 11.817 0.868 25.221 1044 HH11 ARG 144 1HH1 ARG 144 11.075 4.242 24.794 1045 HH12 ARG 144 2HH1 ARG 144 12.732 4.745 24.825 1046 HH21 ARG 144 1HH2 ARG 144 14.003 1.518 25.263 1047 HH22 ARG 144 2HH2 ARG 144 14.397 3.194 25.091 Start of MODEL 15 1 H MET 9 H MET 9 -13.226 1.782 -8.611 2 HA MET 9 HA MET 9 -13.105 0.071 -7.012 3 HB2 MET 9 2HB MET 9 -13.099 -2.023 -8.197 4 HB3 MET 9 3HB MET 9 -13.872 -0.813 -9.212 5 HG2 MET 9 2HG MET 9 -11.909 -0.610 -10.569 6 HG3 MET 9 3HG MET 9 -11.000 -1.660 -9.484 7 HE1 MET 9 3HE MET 9 -10.779 -3.738 -9.446 8 HE2 MET 9 1HE MET 9 -11.849 -5.022 -10.009 9 HE3 MET 9 2HE MET 9 -10.629 -4.354 -11.093 10 H ALA 10 H ALA 10 -10.178 0.695 -8.764 11 HA ALA 10 HA ALA 10 -8.566 0.007 -6.513 12 HB1 ALA 10 1HB ALA 10 -8.476 -1.802 -8.921 13 HB2 ALA 10 2HB ALA 10 -7.218 -1.740 -7.685 14 HB3 ALA 10 3HB ALA 10 -8.852 -2.245 -7.256 15 H MET 11 H MET 11 -9.031 2.269 -8.255 16 HA MET 11 HA MET 11 -7.120 2.711 -10.196 17 HB2 MET 11 2HB MET 11 -8.183 4.705 -8.187 18 HB3 MET 11 3HB MET 11 -7.372 5.110 -9.694 19 HG2 MET 11 2HG MET 11 -9.713 3.340 -9.928 20 HG3 MET 11 3HG MET 11 -10.037 4.991 -9.406 21 HE1 MET 11 3HE MET 11 -10.859 3.197 -11.708 22 HE2 MET 11 1HE MET 11 -11.066 4.351 -13.026 23 HE3 MET 11 2HE MET 11 -9.790 3.136 -13.110 24 H SER 12 H SER 12 -6.778 2.716 -6.720 25 HA SER 12 HA SER 12 -4.986 2.969 -5.337 26 HB2 SER 12 2HB SER 12 -3.850 1.695 -7.790 27 HB3 SER 12 3HB SER 12 -2.740 2.238 -6.532 28 HG SER 12 HG SER 12 -4.632 0.193 -6.484 29 H GLY 13 H GLY 13 -5.125 5.226 -5.131 30 HA2 GLY 13 2HA GLY 13 -2.785 6.630 -6.007 31 HA3 GLY 13 3HA GLY 13 -4.235 7.183 -6.833 32 H VAL 14 H VAL 14 -4.415 6.020 -3.565 33 HA VAL 14 HA VAL 14 -5.755 8.199 -2.541 34 HB VAL 14 HB VAL 14 -5.505 5.981 -1.414 35 HG11 VAL 14 1HG1 VAL 14 -2.886 6.219 -1.707 36 HG12 VAL 14 2HG1 VAL 14 -3.018 6.935 -0.099 37 HG13 VAL 14 3HG1 VAL 14 -3.590 5.291 -0.383 38 HG21 VAL 14 3HG2 VAL 14 -6.337 8.119 -0.318 39 HG22 VAL 14 1HG2 VAL 14 -5.791 6.836 0.762 40 HG23 VAL 14 2HG2 VAL 14 -4.749 8.222 0.442 41 H SER 15 H SER 15 -5.220 10.136 -1.689 42 HA SER 15 HA SER 15 -2.457 10.768 -1.063 43 HB2 SER 15 2HB SER 15 -3.848 11.752 -3.482 44 HB3 SER 15 3HB SER 15 -2.989 12.974 -2.546 45 HG SER 15 HG SER 15 -1.102 11.852 -2.822 46 H VAL 16 H VAL 16 -2.273 12.299 0.493 47 HA VAL 16 HA VAL 16 -4.657 13.102 1.868 48 HB VAL 16 HB VAL 16 -2.670 12.540 3.147 49 HG11 VAL 16 1HG1 VAL 16 -0.627 13.220 2.599 50 HG12 VAL 16 2HG1 VAL 16 -1.326 14.021 1.191 51 HG13 VAL 16 3HG1 VAL 16 -1.108 14.913 2.697 52 HG21 VAL 16 3HG2 VAL 16 -3.093 15.495 3.486 53 HG22 VAL 16 1HG2 VAL 16 -4.333 14.315 3.910 54 HG23 VAL 16 2HG2 VAL 16 -2.768 14.281 4.723 55 H ALA 17 H ALA 17 -5.800 14.893 1.571 56 HA ALA 17 HA ALA 17 -4.954 16.876 -0.329 57 HB1 ALA 17 1HB ALA 17 -7.273 16.233 -0.276 58 HB2 ALA 17 2HB ALA 17 -7.407 16.710 1.417 59 HB3 ALA 17 3HB ALA 17 -7.136 17.933 0.175 60 H ASP 18 H ASP 18 -4.981 19.200 0.147 61 HA ASP 18 HA ASP 18 -3.209 19.890 2.189 62 HB2 ASP 18 2HB ASP 18 -5.121 21.574 0.567 63 HB3 ASP 18 3HB ASP 18 -3.953 22.262 1.693 64 H GLU 19 H GLU 19 -6.726 19.921 2.091 65 HA GLU 19 HA GLU 19 -7.241 21.391 4.401 66 HB2 GLU 19 2HB GLU 19 -9.402 20.190 4.471 67 HB3 GLU 19 3HB GLU 19 -9.014 20.791 2.865 68 HG2 GLU 19 2HG GLU 19 -9.620 18.731 2.230 69 HG3 GLU 19 3HG GLU 19 -7.974 18.315 2.704 70 H CYS 20 H CYS 20 -6.563 17.944 3.997 71 HA CYS 20 HA CYS 20 -7.016 17.188 6.673 72 HB2 CYS 20 2HB CYS 20 -6.923 15.510 4.942 73 HB3 CYS 20 3HB CYS 20 -5.272 15.959 4.532 74 HG CYS 20 HG CYS 20 -6.379 14.216 7.238 75 H VAL 21 H VAL 21 -4.068 18.172 4.965 76 HA VAL 21 HA VAL 21 -2.248 17.770 7.045 77 HB VAL 21 HB VAL 21 -2.085 19.973 4.988 78 HG11 VAL 21 1HG1 VAL 21 -0.421 20.174 6.720 79 HG12 VAL 21 2HG1 VAL 21 0.018 18.474 6.544 80 HG13 VAL 21 3HG1 VAL 21 0.351 19.611 5.237 81 HG21 VAL 21 3HG2 VAL 21 -0.564 17.796 4.130 82 HG22 VAL 21 1HG2 VAL 21 -2.108 17.112 4.639 83 HG23 VAL 21 2HG2 VAL 21 -2.068 18.389 3.424 84 H THR 22 H THR 22 -3.975 20.747 6.123 85 HA THR 22 HA THR 22 -2.983 22.372 8.172 86 HB THR 22 HB THR 22 -5.777 22.706 7.125 87 HG1 THR 22 HG1 THR 22 -5.054 23.080 5.163 88 HG21 THR 22 3HG2 THR 22 -3.589 24.469 8.142 89 HG22 THR 22 1HG2 THR 22 -5.301 24.449 8.564 90 HG23 THR 22 2HG2 THR 22 -4.781 25.126 7.021 91 H ALA 23 H ALA 23 -5.864 20.312 8.054 92 HA ALA 23 HA ALA 23 -6.995 21.038 10.499 93 HB1 ALA 23 1HB ALA 23 -8.489 19.725 9.462 94 HB2 ALA 23 2HB ALA 23 -7.244 18.791 8.633 95 HB3 ALA 23 3HB ALA 23 -7.666 18.411 10.302 96 H LEU 24 H LEU 24 -4.659 18.461 9.761 97 HA LEU 24 HA LEU 24 -4.448 17.458 12.380 98 HB2 LEU 24 2HB LEU 24 -2.803 17.302 9.908 99 HB3 LEU 24 3HB LEU 24 -2.067 16.801 11.430 100 HG LEU 24 HG LEU 24 -3.208 15.046 9.879 101 HD11 LEU 24 1HD1 LEU 24 -2.278 14.433 11.982 102 HD12 LEU 24 2HD1 LEU 24 -3.906 13.762 11.911 103 HD13 LEU 24 3HD1 LEU 24 -3.592 15.215 12.860 104 HD21 LEU 24 3HD2 LEU 24 -5.337 16.451 9.835 105 HD22 LEU 24 1HD2 LEU 24 -5.614 15.869 11.477 106 HD23 LEU 24 2HD2 LEU 24 -5.517 14.723 10.140 107 H ASN 25 H ASN 25 -2.596 19.931 10.650 108 HA ASN 25 HA ASN 25 -0.632 20.400 12.575 109 HB2 ASN 25 2HB ASN 25 -1.843 22.050 10.389 110 HB3 ASN 25 3HB ASN 25 -0.742 22.813 11.533 111 HD21 ASN 25 1HD2 ASN 25 0.649 23.183 9.733 112 HD22 ASN 25 2HD2 ASN 25 1.670 21.919 9.147 113 H ASP 26 H ASP 26 -3.826 21.893 12.173 114 HA ASP 26 HA ASP 26 -3.589 23.681 14.352 115 HB2 ASP 26 2HB ASP 26 -5.553 23.020 12.388 116 HB3 ASP 26 3HB ASP 26 -6.324 22.992 13.971 117 H LEU 27 H LEU 27 -4.913 20.416 14.054 118 HA LEU 27 HA LEU 27 -6.022 20.206 16.618 119 HB2 LEU 27 2HB LEU 27 -6.039 18.627 14.481 120 HB3 LEU 27 3HB LEU 27 -4.760 17.817 15.384 121 HG LEU 27 HG LEU 27 -6.418 17.678 17.309 122 HD11 LEU 27 1HD1 LEU 27 -8.816 17.576 16.043 123 HD12 LEU 27 2HD1 LEU 27 -8.064 18.960 15.250 124 HD13 LEU 27 3HD1 LEU 27 -8.245 18.940 17.004 125 HD21 LEU 27 3HD2 LEU 27 -5.877 15.993 15.216 126 HD22 LEU 27 1HD2 LEU 27 -7.638 16.075 15.199 127 HD23 LEU 27 2HD2 LEU 27 -6.793 15.571 16.663 128 H ARG 28 H ARG 28 -2.743 19.708 15.451 129 HA ARG 28 HA ARG 28 -1.692 18.475 17.752 130 HB2 ARG 28 2HB ARG 28 -0.420 20.122 15.571 131 HB3 ARG 28 3HB ARG 28 0.515 19.405 16.877 132 HG2 ARG 28 2HG ARG 28 -0.081 17.200 16.195 133 HG3 ARG 28 3HG ARG 28 -1.249 17.822 15.026 134 HD2 ARG 28 2HD ARG 28 1.033 19.084 14.245 135 HD3 ARG 28 3HD ARG 28 1.665 17.544 14.826 136 HE ARG 28 HE ARG 28 -0.583 17.233 13.083 137 HH11 ARG 28 1HH1 ARG 28 2.860 17.729 13.200 138 HH12 ARG 28 2HH1 ARG 28 3.145 17.031 11.640 139 HH21 ARG 28 1HH2 ARG 28 -0.221 16.311 11.028 140 HH22 ARG 28 2HH2 ARG 28 1.391 16.226 10.405 141 H HIS 29 H HIS 29 -2.493 21.764 17.037 142 HA HIS 29 HA HIS 29 -1.054 22.717 19.407 143 HB2 HIS 29 2HB HIS 29 -1.036 23.860 17.040 144 HB3 HIS 29 3HB HIS 29 -2.577 24.528 17.571 145 HD1 HIS 29 HD1 HIS 29 -0.958 26.767 17.238 146 HD2 HIS 29 HD2 HIS 29 -0.345 24.384 20.585 147 HE1 HIS 29 HE1 HIS 29 0.296 28.211 18.870 148 H LYS 30 H LYS 30 -3.643 21.128 19.282 149 HA LYS 30 HA LYS 30 -5.602 21.018 20.432 150 HB2 LYS 30 2HB LYS 30 -4.534 23.384 21.978 151 HB3 LYS 30 3HB LYS 30 -5.785 22.265 22.500 152 HG2 LYS 30 2HG LYS 30 -4.237 20.502 22.761 153 HG3 LYS 30 3HG LYS 30 -2.975 21.388 21.902 154 HD2 LYS 30 2HD LYS 30 -2.546 21.435 24.288 155 HD3 LYS 30 3HD LYS 30 -2.945 23.056 23.716 156 HE2 LYS 30 2HE LYS 30 -4.059 22.542 25.835 157 HE3 LYS 30 3HE LYS 30 -5.221 22.804 24.535 158 HZ1 LYS 30 3HZ LYS 30 -4.316 20.129 25.452 159 HZ2 LYS 30 1HZ LYS 30 -5.541 20.456 24.332 160 HZ3 LYS 30 2HZ LYS 30 -5.748 20.876 25.957 161 H LYS 31 H LYS 31 -5.803 22.293 18.039 162 HA LYS 31 HA LYS 31 -7.007 24.862 18.199 163 HB2 LYS 31 2HB LYS 31 -6.014 24.170 16.125 164 HB3 LYS 31 3HB LYS 31 -7.038 22.743 16.048 165 HG2 LYS 31 2HG LYS 31 -8.672 25.085 16.223 166 HG3 LYS 31 3HG LYS 31 -7.502 25.266 14.914 167 HD2 LYS 31 2HD LYS 31 -8.305 23.410 13.771 168 HD3 LYS 31 3HD LYS 31 -9.055 22.723 15.214 169 HE2 LYS 31 2HE LYS 31 -10.361 25.117 14.949 170 HE3 LYS 31 3HE LYS 31 -10.109 24.638 13.272 171 HZ1 LYS 31 3HZ LYS 31 -11.036 22.501 14.962 172 HZ2 LYS 31 1HZ LYS 31 -11.594 23.001 13.445 173 HZ3 LYS 31 2HZ LYS 31 -12.130 23.786 14.843 174 H SER 32 H SER 32 -8.218 21.583 18.354 175 HA SER 32 HA SER 32 -10.799 22.599 19.238 176 HB2 SER 32 2HB SER 32 -10.373 21.466 16.615 177 HB3 SER 32 3HB SER 32 -11.479 20.456 17.546 178 HG SER 32 HG SER 32 -12.445 22.686 18.054 179 H ARG 33 H ARG 33 -9.775 19.387 18.125 180 HA ARG 33 HA ARG 33 -9.167 18.325 20.654 181 HB2 ARG 33 2HB ARG 33 -11.738 18.791 20.738 182 HB3 ARG 33 3HB ARG 33 -11.848 17.344 19.745 183 HG2 ARG 33 2HG ARG 33 -12.169 16.778 22.064 184 HG3 ARG 33 3HG ARG 33 -10.653 16.084 21.485 185 HD2 ARG 33 2HD ARG 33 -9.383 17.407 22.814 186 HD3 ARG 33 3HD ARG 33 -10.487 18.776 22.685 187 HE ARG 33 HE ARG 33 -11.427 18.106 24.646 188 HH11 ARG 33 1HH1 ARG 33 -9.867 15.360 23.182 189 HH12 ARG 33 2HH1 ARG 33 -10.197 14.299 24.512 190 HH21 ARG 33 1HH2 ARG 33 -11.867 16.720 26.403 191 HH22 ARG 33 2HH2 ARG 33 -11.336 15.073 26.342 192 H TYR 34 H TYR 34 -11.136 17.081 17.953 193 HA TYR 34 HA TYR 34 -8.883 15.448 17.074 194 HB2 TYR 34 2HB TYR 34 -10.667 13.515 16.891 195 HB3 TYR 34 3HB TYR 34 -9.783 13.784 18.389 196 HD1 TYR 34 HD1 TYR 34 -13.019 14.316 16.686 197 HD2 TYR 34 HD2 TYR 34 -10.908 14.442 20.378 198 HE1 TYR 34 HE1 TYR 34 -15.150 14.569 17.889 199 HE2 TYR 34 HE2 TYR 34 -13.033 14.694 21.591 200 HH TYR 34 HH TYR 34 -15.793 13.923 20.648 201 H VAL 35 H VAL 35 -9.088 14.656 14.931 202 HA VAL 35 HA VAL 35 -11.305 15.813 13.378 203 HB VAL 35 HB VAL 35 -9.720 16.319 11.548 204 HG11 VAL 35 1HG1 VAL 35 -8.418 17.938 13.515 205 HG12 VAL 35 2HG1 VAL 35 -9.680 18.383 12.365 206 HG13 VAL 35 3HG1 VAL 35 -10.115 17.736 13.947 207 HG21 VAL 35 3HG2 VAL 35 -7.867 14.988 13.371 208 HG22 VAL 35 1HG2 VAL 35 -7.763 15.236 11.628 209 HG23 VAL 35 2HG2 VAL 35 -7.256 16.514 12.733 210 H ILE 36 H ILE 36 -12.326 14.359 12.176 211 HA ILE 36 HA ILE 36 -11.012 11.781 11.672 212 HB ILE 36 HB ILE 36 -13.946 12.381 11.342 213 HG12 ILE 36 2HG1 ILE 36 -12.508 11.307 13.779 214 HG13 ILE 36 3HG1 ILE 36 -13.307 12.871 13.656 215 HG21 ILE 36 1HG2 ILE 36 -14.208 10.206 10.866 216 HG22 ILE 36 2HG2 ILE 36 -12.482 10.243 10.512 217 HG23 ILE 36 3HG2 ILE 36 -13.046 9.698 12.091 218 HD11 ILE 36 3HD1 ILE 36 -14.675 10.200 13.437 219 HD12 ILE 36 1HD1 ILE 36 -14.645 11.224 14.872 220 HD13 ILE 36 2HD1 ILE 36 -15.452 11.783 13.407 221 H MET 37 H MET 37 -10.445 11.199 9.678 222 HA MET 37 HA MET 37 -11.547 12.731 7.414 223 HB2 MET 37 2HB MET 37 -8.791 12.198 8.197 224 HB3 MET 37 3HB MET 37 -9.122 11.706 6.541 225 HG2 MET 37 2HG MET 37 -8.275 13.984 6.648 226 HG3 MET 37 3HG MET 37 -9.917 13.933 6.012 227 HE1 MET 37 3HE MET 37 -7.506 15.412 8.399 228 HE2 MET 37 1HE MET 37 -8.429 15.972 9.794 229 HE3 MET 37 2HE MET 37 -8.082 14.254 9.599 230 H HIS 38 H HIS 38 -11.961 11.615 5.490 231 HA HIS 38 HA HIS 38 -11.853 8.679 5.669 232 HB2 HIS 38 2HB HIS 38 -14.137 9.243 6.089 233 HB3 HIS 38 3HB HIS 38 -14.159 10.405 4.766 234 HD1 HIS 38 HD1 HIS 38 -15.344 9.555 2.783 235 HD2 HIS 38 HD2 HIS 38 -13.550 6.483 4.929 236 HE1 HIS 38 HE1 HIS 38 -15.941 7.442 1.558 237 H ILE 39 H ILE 39 -11.665 7.559 3.682 238 HA ILE 39 HA ILE 39 -10.220 9.060 1.671 239 HB ILE 39 HB ILE 39 -10.867 6.111 1.740 240 HG12 ILE 39 2HG1 ILE 39 -8.381 7.589 2.632 241 HG13 ILE 39 3HG1 ILE 39 -9.543 6.794 3.690 242 HG21 ILE 39 1HG2 ILE 39 -8.855 7.667 0.120 243 HG22 ILE 39 2HG2 ILE 39 -9.019 5.912 0.139 244 HG23 ILE 39 3HG2 ILE 39 -10.328 6.912 -0.490 245 HD11 ILE 39 3HD1 ILE 39 -7.423 5.640 1.985 246 HD12 ILE 39 1HD1 ILE 39 -7.978 5.166 3.590 247 HD13 ILE 39 2HD1 ILE 39 -8.914 4.716 2.165 248 H VAL 40 H VAL 40 -11.120 9.901 -0.080 249 HA VAL 40 HA VAL 40 -13.761 8.920 -0.924 250 HB VAL 40 HB VAL 40 -12.417 11.557 -1.534 251 HG11 VAL 40 1HG1 VAL 40 -15.015 10.346 -2.402 252 HG12 VAL 40 2HG1 VAL 40 -14.828 12.097 -2.284 253 HG13 VAL 40 3HG1 VAL 40 -13.791 11.169 -3.368 254 HG21 VAL 40 3HG2 VAL 40 -14.580 10.772 0.403 255 HG22 VAL 40 1HG2 VAL 40 -13.055 11.592 0.737 256 HG23 VAL 40 2HG2 VAL 40 -14.338 12.436 -0.129 257 H ASP 41 H ASP 41 -14.079 8.095 -2.913 258 HA ASP 41 HA ASP 41 -13.555 7.077 -4.885 259 HB2 ASP 41 2HB ASP 41 -11.985 9.639 -5.241 260 HB3 ASP 41 3HB ASP 41 -12.392 8.515 -6.535 261 H GLN 42 H GLN 42 -11.865 6.437 -2.627 262 HA GLN 42 HA GLN 42 -9.713 5.723 -2.097 263 HB2 GLN 42 2HB GLN 42 -9.220 3.679 -3.344 264 HB3 GLN 42 3HB GLN 42 -10.932 3.780 -2.957 265 HG2 GLN 42 2HG GLN 42 -10.275 4.939 -5.544 266 HG3 GLN 42 3HG GLN 42 -9.863 3.230 -5.419 267 HE21 GLN 42 1HE2 GLN 42 -12.496 4.955 -3.838 268 HE22 GLN 42 2HE2 GLN 42 -13.773 4.076 -4.600 269 H LYS 43 H LYS 43 -9.205 8.092 -3.149 270 HA LYS 43 HA LYS 43 -6.671 7.727 -4.419 271 HB2 LYS 43 2HB LYS 43 -9.027 8.532 -6.026 272 HB3 LYS 43 3HB LYS 43 -7.556 9.461 -6.284 273 HG2 LYS 43 2HG LYS 43 -6.435 7.134 -6.526 274 HG3 LYS 43 3HG LYS 43 -8.084 6.570 -6.806 275 HD2 LYS 43 2HD LYS 43 -7.812 7.165 -8.937 276 HD3 LYS 43 3HD LYS 43 -7.847 8.842 -8.390 277 HE2 LYS 43 2HE LYS 43 -5.390 8.722 -8.049 278 HE3 LYS 43 3HE LYS 43 -5.410 7.100 -8.741 279 HZ1 LYS 43 3HZ LYS 43 -5.415 9.615 -10.065 280 HZ2 LYS 43 1HZ LYS 43 -6.742 8.683 -10.550 281 HZ3 LYS 43 2HZ LYS 43 -5.174 8.068 -10.707 282 H SER 44 H SER 44 -9.261 9.925 -3.480 283 HA SER 44 HA SER 44 -7.207 11.855 -2.621 284 HB2 SER 44 2HB SER 44 -9.949 12.496 -3.735 285 HB3 SER 44 3HB SER 44 -8.785 13.675 -3.133 286 HG SER 44 HG SER 44 -7.649 13.478 -4.911 287 H ILE 45 H ILE 45 -7.241 12.342 -0.528 288 HA ILE 45 HA ILE 45 -9.293 11.223 1.166 289 HB ILE 45 HB ILE 45 -6.894 12.909 1.893 290 HG12 ILE 45 2HG1 ILE 45 -7.288 9.913 2.053 291 HG13 ILE 45 3HG1 ILE 45 -6.342 10.738 0.819 292 HG21 ILE 45 1HG2 ILE 45 -7.737 11.235 4.012 293 HG22 ILE 45 2HG2 ILE 45 -7.723 12.996 3.947 294 HG23 ILE 45 3HG2 ILE 45 -9.153 12.106 3.424 295 HD11 ILE 45 3HD1 ILE 45 -5.543 9.865 3.399 296 HD12 ILE 45 1HD1 ILE 45 -4.573 10.615 2.132 297 HD13 ILE 45 2HD1 ILE 45 -5.397 11.621 3.325 298 H ALA 46 H ALA 46 -10.965 12.257 2.063 299 HA ALA 46 HA ALA 46 -11.018 15.198 1.959 300 HB1 ALA 46 1HB ALA 46 -13.078 15.292 0.982 301 HB2 ALA 46 2HB ALA 46 -12.460 13.823 0.226 302 HB3 ALA 46 3HB ALA 46 -13.565 13.711 1.596 303 H VAL 47 H VAL 47 -12.439 16.204 3.522 304 HA VAL 47 HA VAL 47 -12.262 14.958 6.086 305 HB VAL 47 HB VAL 47 -12.032 17.392 5.808 306 HG11 VAL 47 1HG1 VAL 47 -13.584 18.736 4.881 307 HG12 VAL 47 2HG1 VAL 47 -14.148 17.242 4.130 308 HG13 VAL 47 3HG1 VAL 47 -14.931 17.846 5.591 309 HG21 VAL 47 3HG2 VAL 47 -14.462 17.197 7.478 310 HG22 VAL 47 1HG2 VAL 47 -13.145 16.092 7.873 311 HG23 VAL 47 2HG2 VAL 47 -12.863 17.833 7.867 312 H LYS 48 H LYS 48 -13.763 13.890 7.232 313 HA LYS 48 HA LYS 48 -16.368 13.442 5.956 314 HB2 LYS 48 2HB LYS 48 -14.848 11.496 6.534 315 HB3 LYS 48 3HB LYS 48 -15.155 11.865 8.225 316 HG2 LYS 48 2HG LYS 48 -16.640 10.136 7.669 317 HG3 LYS 48 3HG LYS 48 -17.616 11.606 7.697 318 HD2 LYS 48 2HD LYS 48 -16.858 11.579 5.107 319 HD3 LYS 48 3HD LYS 48 -16.896 9.847 5.442 320 HE2 LYS 48 2HE LYS 48 -19.183 9.987 6.173 321 HE3 LYS 48 3HE LYS 48 -19.160 11.745 6.043 322 HZ1 LYS 48 3HZ LYS 48 -20.045 10.096 4.125 323 HZ2 LYS 48 1HZ LYS 48 -18.451 10.344 3.617 324 HZ3 LYS 48 2HZ LYS 48 -19.481 11.666 3.842 325 H THR 49 H THR 49 -15.023 13.824 9.239 326 HA THR 49 HA THR 49 -17.056 15.725 9.948 327 HB THR 49 HB THR 49 -17.108 13.001 11.261 328 HG1 THR 49 HG1 THR 49 -18.380 12.842 9.503 329 HG21 THR 49 3HG2 THR 49 -17.459 14.597 12.982 330 HG22 THR 49 1HG2 THR 49 -19.058 14.015 12.518 331 HG23 THR 49 2HG2 THR 49 -18.493 15.586 11.950 332 H ILE 50 H ILE 50 -15.845 17.171 10.976 333 HA ILE 50 HA ILE 50 -13.623 16.275 12.653 334 HB ILE 50 HB ILE 50 -13.100 18.014 11.039 335 HG12 ILE 50 2HG1 ILE 50 -13.156 19.166 13.836 336 HG13 ILE 50 3HG1 ILE 50 -11.971 17.997 13.262 337 HG21 ILE 50 1HG2 ILE 50 -15.632 18.985 11.654 338 HG22 ILE 50 2HG2 ILE 50 -14.520 20.211 12.260 339 HG23 ILE 50 3HG2 ILE 50 -14.451 19.717 10.568 340 HD11 ILE 50 3HD1 ILE 50 -12.336 20.851 12.430 341 HD12 ILE 50 1HD1 ILE 50 -10.911 20.071 13.116 342 HD13 ILE 50 2HD1 ILE 50 -11.408 19.705 11.464 343 H GLY 51 H GLY 51 -13.422 16.799 14.819 344 HA2 GLY 51 2HA GLY 51 -15.949 17.465 16.146 345 HA3 GLY 51 3HA GLY 51 -14.554 16.708 16.901 346 H GLU 52 H GLU 52 -15.125 18.396 18.551 347 HA GLU 52 HA GLU 52 -13.231 20.480 18.468 348 HB2 GLU 52 2HB GLU 52 -14.912 22.385 18.584 349 HB3 GLU 52 3HB GLU 52 -14.636 21.679 16.998 350 HG2 GLU 52 2HG GLU 52 -16.714 20.744 16.892 351 HG3 GLU 52 3HG GLU 52 -16.865 20.612 18.643 352 H ARG 53 H ARG 53 -13.699 18.518 20.285 353 HA ARG 53 HA ARG 53 -13.740 18.259 22.554 354 HB2 ARG 53 2HB ARG 53 -13.469 21.034 22.235 355 HB3 ARG 53 3HB ARG 53 -14.780 20.822 23.388 356 HG2 ARG 53 2HG ARG 53 -13.328 19.425 24.777 357 HG3 ARG 53 3HG ARG 53 -12.012 19.659 23.624 358 HD2 ARG 53 2HD ARG 53 -11.613 21.783 24.305 359 HD3 ARG 53 3HD ARG 53 -13.313 22.106 24.643 360 HE ARG 53 HE ARG 53 -12.541 20.327 26.573 361 HH11 ARG 53 1HH1 ARG 53 -11.460 23.461 25.510 362 HH12 ARG 53 2HH1 ARG 53 -10.891 23.940 27.075 363 HH21 ARG 53 1HH2 ARG 53 -11.796 20.946 28.638 364 HH22 ARG 53 2HH2 ARG 53 -11.083 22.508 28.853 365 H GLY 54 H GLY 54 -16.381 20.524 21.730 366 HA2 GLY 54 2HA GLY 54 -18.254 19.331 23.481 367 HA3 GLY 54 3HA GLY 54 -18.635 20.426 22.160 368 H ALA 55 H ALA 55 -17.055 18.272 20.495 369 HA ALA 55 HA ALA 55 -19.209 17.116 19.222 370 HB1 ALA 55 1HB ALA 55 -17.246 15.242 18.853 371 HB2 ALA 55 2HB ALA 55 -17.446 16.718 17.907 372 HB3 ALA 55 3HB ALA 55 -16.323 16.688 19.266 373 H ASN 56 H ASN 56 -20.713 15.775 19.950 374 HA ASN 56 HA ASN 56 -20.321 14.213 22.329 375 HB2 ASN 56 2HB ASN 56 -22.622 14.550 20.413 376 HB3 ASN 56 3HB ASN 56 -22.676 13.384 21.731 377 HD21 ASN 56 1HD2 ASN 56 -22.821 16.700 20.840 378 HD22 ASN 56 2HD2 ASN 56 -23.209 17.329 22.402 379 H PHE 57 H PHE 57 -21.008 11.864 22.338 380 HA PHE 57 HA PHE 57 -19.292 10.404 20.609 381 HB2 PHE 57 2HB PHE 57 -20.915 9.871 22.957 382 HB3 PHE 57 3HB PHE 57 -21.022 8.558 21.789 383 HD1 PHE 57 HD1 PHE 57 -18.737 10.505 23.914 384 HD2 PHE 57 HD2 PHE 57 -19.178 7.116 21.376 385 HE1 PHE 57 HE1 PHE 57 -16.568 9.643 24.693 386 HE2 PHE 57 HE2 PHE 57 -17.011 6.249 22.152 387 HZ PHE 57 HZ PHE 57 -15.703 7.512 23.813 388 H ASP 58 H ASP 58 -22.725 11.079 20.639 389 HA ASP 58 HA ASP 58 -23.617 9.130 18.850 390 HB2 ASP 58 2HB ASP 58 -24.591 11.872 19.581 391 HB3 ASP 58 3HB ASP 58 -25.370 10.980 18.276 392 H GLN 59 H GLN 59 -22.408 12.410 18.219 393 HA GLN 59 HA GLN 59 -22.725 12.299 15.414 394 HB2 GLN 59 2HB GLN 59 -20.869 13.980 17.107 395 HB3 GLN 59 3HB GLN 59 -21.160 14.233 15.391 396 HG2 GLN 59 2HG GLN 59 -23.695 14.205 16.426 397 HG3 GLN 59 3HG GLN 59 -22.764 14.995 17.697 398 HE21 GLN 59 1HE2 GLN 59 -24.789 15.972 15.723 399 HE22 GLN 59 2HE2 GLN 59 -24.036 17.326 14.958 400 H PHE 60 H PHE 60 -20.092 11.407 17.568 401 HA PHE 60 HA PHE 60 -18.090 11.046 15.634 402 HB2 PHE 60 2HB PHE 60 -17.431 11.117 17.920 403 HB3 PHE 60 3HB PHE 60 -18.525 9.806 18.349 404 HD1 PHE 60 HD1 PHE 60 -16.128 10.020 15.520 405 HD2 PHE 60 HD2 PHE 60 -17.136 8.161 19.214 406 HE1 PHE 60 HE1 PHE 60 -14.304 8.401 15.198 407 HE2 PHE 60 HE2 PHE 60 -15.313 6.539 18.898 408 HZ PHE 60 HZ PHE 60 -13.894 6.658 16.889 409 H ILE 61 H ILE 61 -20.396 8.735 17.037 410 HA ILE 61 HA ILE 61 -19.514 6.509 15.531 411 HB ILE 61 HB ILE 61 -22.217 6.998 16.787 412 HG12 ILE 61 2HG1 ILE 61 -20.361 7.093 18.399 413 HG13 ILE 61 3HG1 ILE 61 -21.355 5.663 18.652 414 HG21 ILE 61 1HG2 ILE 61 -21.118 4.778 15.236 415 HG22 ILE 61 2HG2 ILE 61 -21.803 4.297 16.788 416 HG23 ILE 61 3HG2 ILE 61 -22.793 5.175 15.621 417 HD11 ILE 61 3HD1 ILE 61 -18.645 5.809 17.367 418 HD12 ILE 61 1HD1 ILE 61 -19.087 5.018 18.879 419 HD13 ILE 61 2HD1 ILE 61 -19.664 4.370 17.344 420 H GLU 62 H GLU 62 -22.125 8.855 15.035 421 HA GLU 62 HA GLU 62 -23.269 7.690 12.765 422 HB2 GLU 62 2HB GLU 62 -24.294 9.530 14.069 423 HB3 GLU 62 3HB GLU 62 -23.082 10.633 13.431 424 HG2 GLU 62 2HG GLU 62 -24.115 9.542 11.152 425 HG3 GLU 62 3HG GLU 62 -25.525 9.613 12.207 426 H ALA 63 H ALA 63 -20.530 9.877 13.113 427 HA ALA 63 HA ALA 63 -20.184 10.351 10.326 428 HB1 ALA 63 1HB ALA 63 -17.844 11.072 11.120 429 HB2 ALA 63 2HB ALA 63 -19.242 11.985 11.689 430 HB3 ALA 63 3HB ALA 63 -18.474 10.799 12.745 431 H ILE 64 H ILE 64 -18.350 8.349 12.642 432 HA ILE 64 HA ILE 64 -16.757 7.116 10.643 433 HB ILE 64 HB ILE 64 -16.109 5.519 12.407 434 HG12 ILE 64 2HG1 ILE 64 -17.184 6.530 14.736 435 HG13 ILE 64 3HG1 ILE 64 -18.556 6.567 13.633 436 HG21 ILE 64 1HG2 ILE 64 -14.900 7.054 13.713 437 HG22 ILE 64 2HG2 ILE 64 -15.160 7.866 12.169 438 HG23 ILE 64 3HG2 ILE 64 -16.150 8.290 13.566 439 HD11 ILE 64 3HD1 ILE 64 -18.743 4.332 13.588 440 HD12 ILE 64 1HD1 ILE 64 -16.998 4.076 13.631 441 HD13 ILE 64 2HD1 ILE 64 -17.873 4.438 15.119 442 H ASP 65 H ASP 65 -17.051 5.300 9.480 443 HA ASP 65 HA ASP 65 -19.487 3.724 9.998 444 HB2 ASP 65 2HB ASP 65 -18.301 4.501 7.325 445 HB3 ASP 65 3HB ASP 65 -19.626 3.360 7.534 446 H LYS 66 H LYS 66 -19.114 1.658 10.422 447 HA LYS 66 HA LYS 66 -16.491 0.547 10.251 448 HB2 LYS 66 2HB LYS 66 -18.463 0.025 11.903 449 HB3 LYS 66 3HB LYS 66 -18.935 -1.134 10.667 450 HG2 LYS 66 2HG LYS 66 -16.928 -2.353 10.905 451 HG3 LYS 66 3HG LYS 66 -16.179 -1.073 11.861 452 HD2 LYS 66 2HD LYS 66 -16.854 -2.178 13.676 453 HD3 LYS 66 3HD LYS 66 -18.502 -1.711 13.250 454 HE2 LYS 66 2HE LYS 66 -18.437 -3.798 11.720 455 HE3 LYS 66 3HE LYS 66 -17.065 -4.284 12.715 456 HZ1 LYS 66 3HZ LYS 66 -19.847 -3.784 13.607 457 HZ2 LYS 66 1HZ LYS 66 -18.551 -3.977 14.677 458 HZ3 LYS 66 2HZ LYS 66 -18.997 -5.245 13.652 459 H ASN 67 H ASN 67 -16.129 0.825 7.949 460 HA ASN 67 HA ASN 67 -16.402 -1.547 6.500 461 HB2 ASN 67 2HB ASN 67 -18.667 0.261 6.281 462 HB3 ASN 67 3HB ASN 67 -17.912 -0.026 4.716 463 HD21 ASN 67 1HD2 ASN 67 -20.510 -0.874 5.776 464 HD22 ASN 67 2HD2 ASN 67 -20.536 -2.595 5.629 465 H VAL 68 H VAL 68 -16.523 1.952 5.804 466 HA VAL 68 HA VAL 68 -14.492 1.672 3.759 467 HB VAL 68 HB VAL 68 -14.771 4.065 3.395 468 HG11 VAL 68 1HG1 VAL 68 -16.400 2.369 2.473 469 HG12 VAL 68 2HG1 VAL 68 -17.502 2.857 3.762 470 HG13 VAL 68 3HG1 VAL 68 -16.982 4.031 2.552 471 HG21 VAL 68 3HG2 VAL 68 -15.044 4.922 5.587 472 HG22 VAL 68 1HG2 VAL 68 -16.548 5.262 4.731 473 HG23 VAL 68 2HG2 VAL 68 -16.469 3.924 5.877 474 HA PRO 69 HA PRO 69 -10.965 2.631 6.194 475 HB2 PRO 69 2HB PRO 69 -9.447 3.974 4.388 476 HB3 PRO 69 3HB PRO 69 -9.712 2.228 4.311 477 HG2 PRO 69 2HG PRO 69 -11.064 4.418 2.782 478 HG3 PRO 69 3HG PRO 69 -10.478 2.847 2.205 479 HD2 PRO 69 2HD PRO 69 -13.087 3.316 2.755 480 HD3 PRO 69 3HD PRO 69 -12.333 1.726 2.988 481 H CYS 70 H CYS 70 -11.118 4.068 7.804 482 HA CYS 70 HA CYS 70 -10.972 6.915 7.145 483 HB2 CYS 70 2HB CYS 70 -12.684 7.470 8.813 484 HB3 CYS 70 3HB CYS 70 -13.346 6.452 7.539 485 HG CYS 70 HG CYS 70 -13.634 4.208 9.006 486 H TYR 71 H TYR 71 -9.811 8.142 8.582 487 HA TYR 71 HA TYR 71 -8.725 6.758 10.942 488 HB2 TYR 71 2HB TYR 71 -6.541 7.835 10.504 489 HB3 TYR 71 3HB TYR 71 -7.010 6.730 9.217 490 HD1 TYR 71 HD1 TYR 71 -7.695 7.595 7.024 491 HD2 TYR 71 HD2 TYR 71 -6.358 10.203 10.108 492 HE1 TYR 71 HE1 TYR 71 -7.386 9.387 5.367 493 HE2 TYR 71 HE2 TYR 71 -6.046 12.002 8.460 494 HH TYR 71 HH TYR 71 -7.271 12.407 5.924 495 H ALA 72 H ALA 72 -8.860 7.874 12.781 496 HA ALA 72 HA ALA 72 -9.477 10.752 12.611 497 HB1 ALA 72 1HB ALA 72 -10.733 10.485 14.708 498 HB2 ALA 72 2HB ALA 72 -11.388 9.491 13.406 499 HB3 ALA 72 3HB ALA 72 -10.404 8.753 14.669 500 H ALA 73 H ALA 73 -8.229 12.142 13.718 501 HA ALA 73 HA ALA 73 -6.082 11.002 15.376 502 HB1 ALA 73 1HB ALA 73 -5.606 13.742 14.752 503 HB2 ALA 73 2HB ALA 73 -4.692 12.317 14.256 504 HB3 ALA 73 3HB ALA 73 -6.040 12.886 13.272 505 H PHE 74 H PHE 74 -6.079 11.374 17.492 506 HA PHE 74 HA PHE 74 -7.809 13.520 18.531 507 HB2 PHE 74 2HB PHE 74 -7.189 10.770 19.542 508 HB3 PHE 74 3HB PHE 74 -7.622 12.034 20.689 509 HD1 PHE 74 HD2 PHE 74 -8.872 11.093 17.300 510 HD2 PHE 74 HD1 PHE 74 -9.782 11.778 21.401 511 HE1 PHE 74 HE2 PHE 74 -11.254 10.693 16.834 512 HE2 PHE 74 HE1 PHE 74 -12.167 11.378 20.942 513 HZ PHE 74 HZ PHE 74 -12.905 10.836 18.656 514 H ASP 75 H ASP 75 -6.878 15.124 19.618 515 HA ASP 75 HA ASP 75 -4.035 14.883 20.287 516 HB2 ASP 75 2HB ASP 75 -4.846 16.780 18.843 517 HB3 ASP 75 3HB ASP 75 -5.725 17.389 20.244 518 H PHE 76 H PHE 76 -3.466 14.505 22.314 519 HA PHE 76 HA PHE 76 -5.267 15.393 24.471 520 HB2 PHE 76 2HB PHE 76 -5.022 12.848 24.003 521 HB3 PHE 76 3HB PHE 76 -3.442 13.025 24.758 522 HD1 PHE 76 HD1 PHE 76 -7.029 13.823 25.372 523 HD2 PHE 76 HD2 PHE 76 -3.260 12.754 27.035 524 HE1 PHE 76 HE1 PHE 76 -8.071 13.613 27.590 525 HE2 PHE 76 HE2 PHE 76 -4.296 12.541 29.256 526 HZ PHE 76 HZ PHE 76 -6.705 12.970 29.536 527 H GLU 77 H GLU 77 -4.114 15.615 26.607 528 HA GLU 77 HA GLU 77 -1.483 16.860 26.155 529 HB2 GLU 77 2HB GLU 77 -2.070 18.102 28.328 530 HB3 GLU 77 3HB GLU 77 -2.913 18.574 26.859 531 HG2 GLU 77 2HG GLU 77 -4.861 17.327 27.519 532 HG3 GLU 77 3HG GLU 77 -4.019 16.694 28.932 533 H TYR 78 H TYR 78 0.183 16.510 27.630 534 HA TYR 78 HA TYR 78 -0.229 14.664 29.833 535 HB2 TYR 78 2HB TYR 78 1.020 13.892 27.286 536 HB3 TYR 78 3HB TYR 78 1.981 13.504 28.709 537 HD1 TYR 78 HD1 TYR 78 0.980 12.053 30.498 538 HD2 TYR 78 HD2 TYR 78 -0.897 12.626 26.723 539 HE1 TYR 78 HE1 TYR 78 -0.394 10.050 30.883 540 HE2 TYR 78 HE2 TYR 78 -2.277 10.625 27.098 541 HH TYR 78 HH TYR 78 -3.111 9.307 29.067 542 H THR 79 H THR 79 2.048 14.191 30.856 543 HA THR 79 HA THR 79 3.648 16.662 30.776 544 HB THR 79 HB THR 79 2.283 16.773 32.775 545 HG1 THR 79 HG1 THR 79 4.122 16.586 34.354 546 HG21 THR 79 3HG2 THR 79 1.585 14.804 33.602 547 HG22 THR 79 1HG2 THR 79 3.114 14.796 34.481 548 HG23 THR 79 2HG2 THR 79 2.973 13.934 32.949 549 H THR 80 H THR 80 4.468 14.616 29.268 550 HA THR 80 HA THR 80 6.182 12.798 30.686 551 HB THR 80 HB THR 80 5.196 12.122 28.557 552 HG1 THR 80 HG1 THR 80 7.541 11.615 29.287 553 HG21 THR 80 3HG2 THR 80 5.838 13.115 26.460 554 HG22 THR 80 1HG2 THR 80 6.959 14.208 27.270 555 HG23 THR 80 2HG2 THR 80 5.222 14.387 27.514 556 H ASN 81 H ASN 81 6.604 15.790 28.859 557 HA ASN 81 HA ASN 81 9.470 15.740 29.066 558 HB2 ASN 81 2HB ASN 81 7.866 16.942 27.318 559 HB3 ASN 81 3HB ASN 81 8.001 18.266 28.470 560 HD21 ASN 81 1HD2 ASN 81 10.257 15.829 27.216 561 HD22 ASN 81 2HD2 ASN 81 11.466 16.959 26.720 562 H ASP 82 H ASP 82 6.810 17.272 30.779 563 HA ASP 82 HA ASP 82 8.124 17.514 33.202 564 HB2 ASP 82 2HB ASP 82 8.921 19.546 31.327 565 HB3 ASP 82 3HB ASP 82 8.064 20.287 32.676 566 H GLY 83 H GLY 83 5.886 19.211 31.035 567 HA2 GLY 83 2HA GLY 83 3.688 18.771 32.810 568 HA3 GLY 83 3HA GLY 83 4.231 20.442 32.857 569 HA PRO 84 HA PRO 84 1.848 21.409 29.315 570 HB2 PRO 84 2HB PRO 84 3.447 23.146 27.973 571 HB3 PRO 84 3HB PRO 84 2.630 23.563 29.484 572 HG2 PRO 84 2HG PRO 84 5.464 22.709 29.036 573 HG3 PRO 84 3HG PRO 84 4.835 23.995 30.083 574 HD2 PRO 84 2HD PRO 84 5.564 21.567 31.036 575 HD3 PRO 84 3HD PRO 84 4.251 22.521 31.756 576 H ARG 85 H ARG 85 2.262 19.073 28.626 577 HA ARG 85 HA ARG 85 3.785 19.054 26.103 578 HB2 ARG 85 2HB ARG 85 4.062 17.369 28.347 579 HB3 ARG 85 3HB ARG 85 3.279 16.403 27.104 580 HG2 ARG 85 2HG ARG 85 5.793 17.981 26.628 581 HG3 ARG 85 3HG ARG 85 5.781 16.294 27.144 582 HD2 ARG 85 2HD ARG 85 4.227 15.941 25.100 583 HD3 ARG 85 3HD ARG 85 4.870 17.490 24.555 584 HE ARG 85 HE ARG 85 6.941 15.677 25.298 585 HH11 ARG 85 1HH1 ARG 85 4.710 16.489 22.752 586 HH12 ARG 85 2HH1 ARG 85 5.698 15.821 21.495 587 HH21 ARG 85 1HH2 ARG 85 8.251 14.794 23.652 588 HH22 ARG 85 2HH2 ARG 85 7.711 14.857 22.009 589 H ASP 86 H ASP 86 2.881 17.958 24.332 590 HA ASP 86 HA ASP 86 0.100 17.071 24.600 591 HB2 ASP 86 2HB ASP 86 -0.368 18.304 22.404 592 HB3 ASP 86 3HB ASP 86 -0.247 19.285 23.862 593 H LYS 87 H LYS 87 -0.402 15.330 23.390 594 HA LYS 87 HA LYS 87 1.460 14.518 21.267 595 HB2 LYS 87 2HB LYS 87 1.442 13.313 23.730 596 HB3 LYS 87 3HB LYS 87 0.330 12.297 22.823 597 HG2 LYS 87 2HG LYS 87 2.041 11.255 21.892 598 HG3 LYS 87 3HG LYS 87 2.588 12.776 21.183 599 HD2 LYS 87 2HD LYS 87 3.683 13.258 23.422 600 HD3 LYS 87 3HD LYS 87 3.358 11.573 23.832 601 HE2 LYS 87 2HE LYS 87 4.527 11.556 21.276 602 HE3 LYS 87 3HE LYS 87 5.474 12.685 22.243 603 HZ1 LYS 87 3HZ LYS 87 6.182 10.282 22.308 604 HZ2 LYS 87 1HZ LYS 87 4.781 9.971 23.204 605 HZ3 LYS 87 2HZ LYS 87 5.957 11.025 23.811 606 H LEU 88 H LEU 88 0.523 13.679 19.478 607 HA LEU 88 HA LEU 88 -2.410 13.442 19.512 608 HB2 LEU 88 2HB LEU 88 -0.793 14.972 17.904 609 HB3 LEU 88 3HB LEU 88 -1.114 13.561 16.899 610 HG LEU 88 HG LEU 88 -3.332 15.121 18.192 611 HD11 LEU 88 1HD1 LEU 88 -3.460 16.016 15.704 612 HD12 LEU 88 2HD1 LEU 88 -1.714 15.783 15.795 613 HD13 LEU 88 3HD1 LEU 88 -2.523 16.844 16.948 614 HD21 LEU 88 3HD2 LEU 88 -3.668 13.817 15.586 615 HD22 LEU 88 1HD2 LEU 88 -4.718 13.816 17.003 616 HD23 LEU 88 2HD2 LEU 88 -3.339 12.718 16.926 617 H ILE 89 H ILE 89 -3.375 11.580 18.936 618 HA ILE 89 HA ILE 89 -1.636 9.385 18.013 619 HB ILE 89 HB ILE 89 -4.182 9.063 19.597 620 HG12 ILE 89 2HG1 ILE 89 -2.273 8.316 21.335 621 HG13 ILE 89 3HG1 ILE 89 -1.383 9.557 20.460 622 HG21 ILE 89 1HG2 ILE 89 -3.824 7.055 18.519 623 HG22 ILE 89 2HG2 ILE 89 -2.070 7.215 18.579 624 HG23 ILE 89 3HG2 ILE 89 -2.968 6.804 20.040 625 HD11 ILE 89 3HD1 ILE 89 -2.908 11.232 21.087 626 HD12 ILE 89 1HD1 ILE 89 -4.093 10.052 21.645 627 HD13 ILE 89 2HD1 ILE 89 -2.595 10.290 22.545 628 H LEU 90 H LEU 90 -2.488 7.900 16.510 629 HA LEU 90 HA LEU 90 -4.830 8.899 15.025 630 HB2 LEU 90 2HB LEU 90 -2.492 9.001 13.956 631 HB3 LEU 90 3HB LEU 90 -2.637 7.250 13.812 632 HG LEU 90 HG LEU 90 -4.639 7.547 12.415 633 HD11 LEU 90 1HD1 LEU 90 -5.702 9.496 12.861 634 HD12 LEU 90 2HD1 LEU 90 -4.722 10.053 11.506 635 HD13 LEU 90 3HD1 LEU 90 -4.204 10.377 13.160 636 HD21 LEU 90 3HD2 LEU 90 -3.503 8.236 10.436 637 HD22 LEU 90 1HD2 LEU 90 -2.329 7.411 11.462 638 HD23 LEU 90 2HD2 LEU 90 -2.330 9.172 11.364 639 H ILE 91 H ILE 91 -6.533 7.608 15.128 640 HA ILE 91 HA ILE 91 -6.088 4.715 15.479 641 HB ILE 91 HB ILE 91 -8.450 6.336 16.436 642 HG12 ILE 91 2HG1 ILE 91 -7.302 5.184 18.643 643 HG13 ILE 91 3HG1 ILE 91 -5.890 5.581 17.669 644 HG21 ILE 91 1HG2 ILE 91 -8.231 3.744 17.618 645 HG22 ILE 91 2HG2 ILE 91 -9.551 4.424 16.667 646 HG23 ILE 91 3HG2 ILE 91 -8.223 3.588 15.862 647 HD11 ILE 91 3HD1 ILE 91 -6.097 7.510 18.838 648 HD12 ILE 91 1HD1 ILE 91 -7.138 7.902 17.470 649 HD13 ILE 91 2HD1 ILE 91 -7.847 7.362 18.993 650 H SER 92 H SER 92 -6.907 3.391 13.985 651 HA SER 92 HA SER 92 -8.578 4.566 11.880 652 HB2 SER 92 2HB SER 92 -6.358 2.774 11.854 653 HB3 SER 92 3HB SER 92 -7.760 1.915 11.216 654 HG SER 92 HG SER 92 -7.778 3.184 9.521 655 H TRP 93 H TRP 93 -10.571 3.795 11.380 656 HA TRP 93 HA TRP 93 -11.603 1.594 13.047 657 HB2 TRP 93 2HB TRP 93 -12.581 3.687 13.782 658 HB3 TRP 93 3HB TRP 93 -13.029 4.099 12.129 659 HD1 TRP 93 HD1 TRP 93 -15.179 2.906 11.103 660 HE1 TRP 93 HE1 TRP 93 -17.128 1.621 12.188 661 HE3 TRP 93 HE3 TRP 93 -13.143 2.092 15.721 662 HZ2 TRP 93 HZ2 TRP 93 -17.723 0.422 14.674 663 HZ3 TRP 93 HZ3 TRP 93 -14.468 0.868 17.395 664 HH2 TRP 93 HH2 TRP 93 -16.710 0.052 16.881 665 H ASN 94 H ASN 94 -11.998 -0.141 11.853 666 HA ASN 94 HA ASN 94 -13.776 -0.213 9.711 667 HB2 ASN 94 2HB ASN 94 -12.304 0.836 8.238 668 HB3 ASN 94 3HB ASN 94 -10.888 0.068 8.949 669 HD21 ASN 94 1HD2 ASN 94 -10.429 -2.096 8.433 670 HD22 ASN 94 2HD2 ASN 94 -11.072 -2.834 7.009 671 HA PRO 95 HA PRO 95 -13.528 -4.440 10.931 672 HB2 PRO 95 2HB PRO 95 -15.006 -5.526 8.929 673 HB3 PRO 95 3HB PRO 95 -15.719 -4.601 10.256 674 HG2 PRO 95 2HG PRO 95 -15.061 -3.720 7.471 675 HG3 PRO 95 3HG PRO 95 -16.506 -3.379 8.441 676 HD2 PRO 95 2HD PRO 95 -14.494 -1.591 8.148 677 HD3 PRO 95 3HD PRO 95 -15.467 -1.699 9.629 678 H ASP 96 H ASP 96 -12.021 -5.960 10.648 679 HA ASP 96 HA ASP 96 -10.116 -5.829 8.579 680 HB2 ASP 96 2HB ASP 96 -10.667 -7.597 10.875 681 HB3 ASP 96 3HB ASP 96 -9.793 -8.354 9.546 682 H SER 97 H SER 97 -13.195 -7.322 8.754 683 HA SER 97 HA SER 97 -12.610 -8.947 6.371 684 HB2 SER 97 2HB SER 97 -14.445 -9.293 8.679 685 HB3 SER 97 3HB SER 97 -15.044 -9.831 7.110 686 HG SER 97 HG SER 97 -13.497 -11.172 8.679 687 H GLY 98 H GLY 98 -13.438 -5.974 6.816 688 HA2 GLY 98 2HA GLY 98 -15.990 -5.570 5.742 689 HA3 GLY 98 3HA GLY 98 -14.664 -4.419 5.658 690 H ALA 99 H ALA 99 -13.551 -4.165 3.773 691 HA ALA 99 HA ALA 99 -14.369 -5.876 1.517 692 HB1 ALA 99 1HB ALA 99 -15.347 -4.056 0.673 693 HB2 ALA 99 2HB ALA 99 -14.552 -2.987 1.829 694 HB3 ALA 99 3HB ALA 99 -13.712 -3.473 0.357 695 HA PRO 100 HA PRO 100 -10.134 -6.515 0.563 696 HB2 PRO 100 2HB PRO 100 -10.142 -6.491 -2.151 697 HB3 PRO 100 3HB PRO 100 -10.828 -7.814 -1.200 698 HG2 PRO 100 2HG PRO 100 -12.215 -5.512 -2.520 699 HG3 PRO 100 3HG PRO 100 -12.685 -7.222 -2.468 700 HD2 PRO 100 2HD PRO 100 -13.800 -5.355 -0.855 701 HD3 PRO 100 3HD PRO 100 -13.578 -7.043 -0.351 702 H ARG 101 H ARG 101 -11.531 -3.979 -1.525 703 HA ARG 101 HA ARG 101 -9.058 -2.669 -1.984 704 HB2 ARG 101 2HB ARG 101 -10.484 -0.804 -2.829 705 HB3 ARG 101 3HB ARG 101 -10.856 -2.365 -3.548 706 HG2 ARG 101 2HG ARG 101 -12.977 -1.867 -3.081 707 HG3 ARG 101 3HG ARG 101 -12.566 -2.292 -1.418 708 HD2 ARG 101 2HD ARG 101 -12.018 0.051 -0.961 709 HD3 ARG 101 3HD ARG 101 -12.436 0.471 -2.622 710 HE ARG 101 HE ARG 101 -14.593 -0.835 -1.312 711 HH11 ARG 101 1HH1 ARG 101 -12.932 2.214 -1.558 712 HH12 ARG 101 2HH1 ARG 101 -14.318 3.154 -1.112 713 HH21 ARG 101 1HH2 ARG 101 -16.425 0.390 -0.725 714 HH22 ARG 101 2HH2 ARG 101 -16.304 2.115 -0.638 715 H THR 102 H THR 102 -11.695 -2.142 0.310 716 HA THR 102 HA THR 102 -10.709 0.263 1.412 717 HB THR 102 HB THR 102 -12.191 -0.233 3.340 718 HG1 THR 102 HG1 THR 102 -12.210 -2.746 2.099 719 HG21 THR 102 3HG2 THR 102 -13.781 -0.946 0.921 720 HG22 THR 102 1HG2 THR 102 -12.933 0.599 0.951 721 HG23 THR 102 2HG2 THR 102 -14.129 0.225 2.193 722 H LYS 103 H LYS 103 -10.310 -3.129 2.365 723 HA LYS 103 HA LYS 103 -8.900 -2.724 4.738 724 HB2 LYS 103 2HB LYS 103 -9.691 -4.910 4.289 725 HB3 LYS 103 3HB LYS 103 -8.880 -4.969 2.730 726 HG2 LYS 103 2HG LYS 103 -7.758 -6.373 4.367 727 HG3 LYS 103 3HG LYS 103 -6.716 -5.049 3.843 728 HD2 LYS 103 2HD LYS 103 -6.719 -4.064 5.884 729 HD3 LYS 103 3HD LYS 103 -8.387 -4.532 6.224 730 HE2 LYS 103 2HE LYS 103 -7.031 -5.735 7.746 731 HE3 LYS 103 3HE LYS 103 -7.538 -6.890 6.515 732 HZ1 LYS 103 3HZ LYS 103 -5.007 -6.554 7.315 733 HZ2 LYS 103 1HZ LYS 103 -5.042 -5.536 5.963 734 HZ3 LYS 103 2HZ LYS 103 -5.447 -7.170 5.802 735 H MET 104 H MET 104 -7.676 -3.158 1.427 736 HA MET 104 HA MET 104 -4.941 -2.851 2.164 737 HB2 MET 104 2HB MET 104 -6.388 -3.541 -0.169 738 HB3 MET 104 3HB MET 104 -5.385 -2.157 -0.583 739 HG2 MET 104 2HG MET 104 -3.638 -3.727 0.802 740 HG3 MET 104 3HG MET 104 -4.640 -4.922 -0.018 741 HE1 MET 104 3HE MET 104 -1.063 -4.090 -1.779 742 HE2 MET 104 1HE MET 104 -1.665 -4.497 -0.172 743 HE3 MET 104 2HE MET 104 -2.011 -5.558 -1.538 744 H LEU 105 H LEU 105 -7.485 -0.665 1.185 745 HA LEU 105 HA LEU 105 -6.014 1.562 0.425 746 HB2 LEU 105 2HB LEU 105 -8.712 0.973 1.141 747 HB3 LEU 105 3HB LEU 105 -8.227 2.470 1.935 748 HG LEU 105 HG LEU 105 -7.732 3.500 -0.176 749 HD11 LEU 105 1HD1 LEU 105 -7.586 0.774 -1.082 750 HD12 LEU 105 2HD1 LEU 105 -7.008 2.249 -1.858 751 HD13 LEU 105 3HD1 LEU 105 -8.670 1.714 -2.107 752 HD21 LEU 105 3HD2 LEU 105 -10.358 2.250 0.301 753 HD22 LEU 105 1HD2 LEU 105 -10.088 2.877 -1.325 754 HD23 LEU 105 2HD2 LEU 105 -9.929 3.945 0.069 755 H TYR 106 H TYR 106 -6.631 0.257 3.598 756 HA TYR 106 HA TYR 106 -6.023 2.484 5.173 757 HB2 TYR 106 2HB TYR 106 -6.998 0.556 6.203 758 HB3 TYR 106 3HB TYR 106 -5.664 -0.470 5.688 759 HD1 TYR 106 HD2 TYR 106 -5.556 2.890 7.290 760 HD2 TYR 106 HD1 TYR 106 -4.742 -1.268 7.676 761 HE1 TYR 106 HE2 TYR 106 -4.409 3.318 9.423 762 HE2 TYR 106 HE1 TYR 106 -3.594 -0.852 9.811 763 HH TYR 106 HH TYR 106 -3.893 1.935 11.545 764 H SER 107 H SER 107 -3.920 0.008 3.772 765 HA SER 107 HA SER 107 -1.544 1.179 4.926 766 HB2 SER 107 2HB SER 107 -2.242 -1.324 3.742 767 HB3 SER 107 3HB SER 107 -0.882 -0.650 2.844 768 HG SER 107 HG SER 107 -0.909 -0.739 5.668 769 H SER 108 H SER 108 -3.107 1.032 1.767 770 HA SER 108 HA SER 108 -1.117 2.131 0.183 771 HB2 SER 108 2HB SER 108 -3.641 1.305 -0.291 772 HB3 SER 108 3HB SER 108 -3.884 3.050 -0.365 773 HG SER 108 HG SER 108 -3.068 1.623 -2.306 774 H SER 109 H SER 109 -3.192 3.652 2.518 775 HA SER 109 HA SER 109 -2.318 6.318 1.671 776 HB2 SER 109 2HB SER 109 -4.092 7.205 2.983 777 HB3 SER 109 3HB SER 109 -4.765 5.797 2.162 778 HG SER 109 HG SER 109 -4.582 6.275 4.788 779 H ARG 110 H ARG 110 -1.855 3.941 4.133 780 HA ARG 110 HA ARG 110 -0.950 5.485 6.261 781 HB2 ARG 110 2HB ARG 110 -1.296 2.876 5.957 782 HB3 ARG 110 3HB ARG 110 0.433 2.914 5.642 783 HG2 ARG 110 2HG ARG 110 0.029 4.457 7.950 784 HG3 ARG 110 3HG ARG 110 -0.958 3.006 8.139 785 HD2 ARG 110 2HD ARG 110 1.291 1.889 7.208 786 HD3 ARG 110 3HD ARG 110 1.982 3.308 7.994 787 HE ARG 110 HE ARG 110 1.448 2.404 10.037 788 HH11 ARG 110 1HH1 ARG 110 -0.175 0.632 7.518 789 HH12 ARG 110 2HH1 ARG 110 -0.709 -0.634 8.573 790 HH21 ARG 110 1HH2 ARG 110 0.751 0.743 11.436 791 HH22 ARG 110 2HH2 ARG 110 -0.182 -0.569 10.802 792 H ASP 111 H ASP 111 0.760 4.348 3.392 793 HA ASP 111 HA ASP 111 3.355 5.093 4.151 794 HB2 ASP 111 2HB ASP 111 2.049 4.131 1.789 795 HB3 ASP 111 3HB ASP 111 3.102 5.474 1.352 796 H ALA 112 H ALA 112 0.798 6.902 2.506 797 HA ALA 112 HA ALA 112 2.424 9.254 2.187 798 HB1 ALA 112 1HB ALA 112 -0.117 10.125 1.789 799 HB2 ALA 112 2HB ALA 112 0.896 9.385 0.548 800 HB3 ALA 112 3HB ALA 112 -0.279 8.406 1.427 801 H LEU 113 H LEU 113 0.353 7.961 4.621 802 HA LEU 113 HA LEU 113 -0.106 10.495 5.934 803 HB2 LEU 113 2HB LEU 113 -0.989 7.717 6.257 804 HB3 LEU 113 3HB LEU 113 -0.773 8.595 7.770 805 HG LEU 113 HG LEU 113 -2.367 9.911 5.639 806 HD11 LEU 113 1HD1 LEU 113 -3.944 8.143 7.353 807 HD12 LEU 113 2HD1 LEU 113 -2.942 7.299 6.172 808 HD13 LEU 113 3HD1 LEU 113 -4.109 8.508 5.635 809 HD21 LEU 113 3HD2 LEU 113 -3.702 10.129 7.995 810 HD22 LEU 113 1HD2 LEU 113 -2.481 11.267 7.424 811 HD23 LEU 113 2HD2 LEU 113 -2.034 9.987 8.553 812 H VAL 114 H VAL 114 2.209 7.932 6.044 813 HA VAL 114 HA VAL 114 3.209 8.102 8.615 814 HB VAL 114 HB VAL 114 4.407 7.383 5.988 815 HG11 VAL 114 1HG1 VAL 114 6.573 6.898 7.241 816 HG12 VAL 114 2HG1 VAL 114 6.254 8.580 6.812 817 HG13 VAL 114 3HG1 VAL 114 5.983 8.024 8.464 818 HG21 VAL 114 3HG2 VAL 114 5.016 5.556 8.047 819 HG22 VAL 114 1HG2 VAL 114 3.345 6.064 8.290 820 HG23 VAL 114 2HG2 VAL 114 3.841 5.373 6.745 821 HA PRO 115 HA PRO 115 6.166 11.646 7.154 822 HB2 PRO 115 2HB PRO 115 5.572 12.847 4.793 823 HB3 PRO 115 3HB PRO 115 6.639 11.443 4.915 824 HG2 PRO 115 2HG PRO 115 3.745 11.563 4.160 825 HG3 PRO 115 3HG PRO 115 5.054 10.620 3.425 826 HD2 PRO 115 2HD PRO 115 3.275 9.539 5.155 827 HD3 PRO 115 3HD PRO 115 4.958 8.986 5.047 828 H LEU 116 H LEU 116 2.765 11.899 6.242 829 HA LEU 116 HA LEU 116 2.490 14.673 6.714 830 HB2 LEU 116 2HB LEU 116 0.889 12.638 5.745 831 HB3 LEU 116 3HB LEU 116 0.093 13.115 7.243 832 HG LEU 116 HG LEU 116 -0.881 14.299 5.380 833 HD11 LEU 116 1HD1 LEU 116 0.720 16.478 6.556 834 HD12 LEU 116 2HD1 LEU 116 -0.122 15.427 7.693 835 HD13 LEU 116 3HD1 LEU 116 -1.029 16.282 6.445 836 HD21 LEU 116 3HD2 LEU 116 1.114 14.158 3.903 837 HD22 LEU 116 1HD2 LEU 116 1.856 15.446 4.851 838 HD23 LEU 116 2HD2 LEU 116 0.374 15.759 3.948 839 H THR 117 H THR 117 1.862 11.831 8.744 840 HA THR 117 HA THR 117 1.567 13.627 11.059 841 HB THR 117 HB THR 117 0.607 11.514 12.168 842 HG1 THR 117 HG1 THR 117 0.188 9.833 10.912 843 HG21 THR 117 3HG2 THR 117 -1.499 12.248 11.690 844 HG22 THR 117 1HG2 THR 117 -1.196 12.332 9.956 845 HG23 THR 117 2HG2 THR 117 -0.590 13.602 11.019 846 H GLN 118 H GLN 118 4.043 13.628 10.757 847 HA GLN 118 HA GLN 118 5.420 11.276 11.692 848 HB2 GLN 118 2HB GLN 118 6.142 13.527 10.231 849 HB3 GLN 118 3HB GLN 118 6.962 13.742 11.773 850 HG2 GLN 118 2HG GLN 118 7.177 11.053 10.621 851 HG3 GLN 118 3HG GLN 118 7.946 12.334 9.686 852 HE21 GLN 118 1HE2 GLN 118 8.819 10.037 11.563 853 HE22 GLN 118 2HE2 GLN 118 10.020 10.784 12.554 854 H GLY 119 H GLY 119 5.709 10.731 13.747 855 HA2 GLY 119 2HA GLY 119 6.558 11.336 15.939 856 HA3 GLY 119 3HA GLY 119 5.727 12.875 15.775 857 H PHE 120 H PHE 120 3.788 10.440 14.578 858 HA PHE 120 HA PHE 120 2.474 10.032 17.180 859 HB2 PHE 120 2HB PHE 120 0.991 10.474 14.586 860 HB3 PHE 120 3HB PHE 120 0.309 10.371 16.205 861 HD1 PHE 120 HD2 PHE 120 2.119 12.117 17.721 862 HD2 PHE 120 HD1 PHE 120 0.439 12.595 13.840 863 HE1 PHE 120 HE2 PHE 120 2.295 14.560 17.950 864 HE2 PHE 120 HE1 PHE 120 0.613 15.039 14.062 865 HZ PHE 120 HZ PHE 120 1.540 16.025 16.119 866 H GLN 121 H GLN 121 1.125 8.126 17.306 867 HA GLN 121 HA GLN 121 2.159 5.975 15.600 868 HB2 GLN 121 2HB GLN 121 0.850 5.932 18.321 869 HB3 GLN 121 3HB GLN 121 1.231 4.479 17.405 870 HG2 GLN 121 2HG GLN 121 3.632 5.457 17.346 871 HG3 GLN 121 3HG GLN 121 3.074 6.432 18.703 872 HE21 GLN 121 1HE2 GLN 121 3.365 3.110 17.554 873 HE22 GLN 121 2HE2 GLN 121 3.553 2.396 19.115 874 H GLY 122 H GLY 122 0.853 4.708 14.372 875 HA2 GLY 122 2HA GLY 122 -2.014 5.426 14.354 876 HA3 GLY 122 3HA GLY 122 -1.106 4.988 12.914 877 H ILE 123 H ILE 123 -3.344 3.887 15.011 878 HA ILE 123 HA ILE 123 -2.650 1.087 14.434 879 HB ILE 123 HB ILE 123 -3.953 1.980 17.004 880 HG12 ILE 123 2HG1 ILE 123 -1.432 0.884 17.558 881 HG13 ILE 123 3HG1 ILE 123 -1.165 2.001 16.225 882 HG21 ILE 123 1HG2 ILE 123 -3.237 -0.365 17.678 883 HG22 ILE 123 2HG2 ILE 123 -4.575 -0.237 16.538 884 HG23 ILE 123 3HG2 ILE 123 -2.962 -0.656 15.960 885 HD11 ILE 123 3HD1 ILE 123 -0.851 3.027 18.439 886 HD12 ILE 123 1HD1 ILE 123 -2.117 3.808 17.493 887 HD13 ILE 123 2HD1 ILE 123 -2.546 2.706 18.802 888 H GLN 124 H GLN 124 -4.278 -0.154 13.677 889 HA GLN 124 HA GLN 124 -6.910 1.130 13.411 890 HB2 GLN 124 2HB GLN 124 -5.963 0.686 11.264 891 HB3 GLN 124 3HB GLN 124 -5.521 -0.952 11.728 892 HG2 GLN 124 2HG GLN 124 -8.373 -0.413 11.972 893 HG3 GLN 124 3HG GLN 124 -7.757 -0.228 10.331 894 HE21 GLN 124 1HE2 GLN 124 -5.989 -2.098 9.949 895 HE22 GLN 124 2HE2 GLN 124 -6.625 -3.681 10.224 896 H ALA 125 H ALA 125 -8.600 0.289 14.439 897 HA ALA 125 HA ALA 125 -8.667 -2.550 15.086 898 HB1 ALA 125 1HB ALA 125 -8.526 -0.366 17.121 899 HB2 ALA 125 2HB ALA 125 -9.424 -1.844 17.471 900 HB3 ALA 125 3HB ALA 125 -7.704 -1.926 17.090 901 H ASN 126 H ASN 126 -10.659 -3.366 14.867 902 HA ASN 126 HA ASN 126 -12.855 -1.493 14.386 903 HB2 ASN 126 2HB ASN 126 -13.883 -3.150 13.105 904 HB3 ASN 126 3HB ASN 126 -12.173 -3.420 12.783 905 HD21 ASN 126 1HD2 ASN 126 -14.519 -5.220 12.685 906 HD22 ASN 126 2HD2 ASN 126 -14.104 -6.562 13.691 907 H ASP 127 H ASP 127 -14.962 -1.903 15.287 908 HA ASP 127 HA ASP 127 -16.412 -2.321 16.990 909 HB2 ASP 127 2HB ASP 127 -14.694 -4.594 17.935 910 HB3 ASP 127 3HB ASP 127 -16.450 -4.453 17.937 911 H ALA 128 H ALA 128 -15.998 -3.257 19.591 912 HA ALA 128 HA ALA 128 -15.205 -0.983 20.945 913 HB1 ALA 128 1HB ALA 128 -16.052 -2.120 22.649 914 HB2 ALA 128 2HB ALA 128 -16.129 -3.559 21.631 915 HB3 ALA 128 3HB ALA 128 -14.694 -3.245 22.607 916 H SER 129 H SER 129 -13.269 -3.562 19.672 917 HA SER 129 HA SER 129 -10.965 -3.293 21.237 918 HB2 SER 129 2HB SER 129 -11.651 -4.980 19.282 919 HB3 SER 129 3HB SER 129 -10.649 -3.882 18.334 920 HG SER 129 HG SER 129 -9.882 -5.285 20.680 921 H GLY 130 H GLY 130 -12.281 -1.260 18.782 922 HA2 GLY 130 2HA GLY 130 -9.755 0.243 18.597 923 HA3 GLY 130 3HA GLY 130 -11.081 0.344 17.448 924 H LEU 131 H LEU 131 -11.538 0.394 20.921 925 HA LEU 131 HA LEU 131 -11.866 3.289 20.929 926 HB2 LEU 131 2HB LEU 131 -14.088 1.496 21.876 927 HB3 LEU 131 3HB LEU 131 -14.101 3.254 21.749 928 HG LEU 131 HG LEU 131 -13.880 1.453 19.348 929 HD11 LEU 131 1HD1 LEU 131 -16.012 1.290 20.915 930 HD12 LEU 131 2HD1 LEU 131 -16.138 1.272 19.156 931 HD13 LEU 131 3HD1 LEU 131 -16.448 2.762 20.047 932 HD21 LEU 131 3HD2 LEU 131 -15.185 3.943 18.902 933 HD22 LEU 131 1HD2 LEU 131 -13.664 3.355 18.230 934 HD23 LEU 131 2HD2 LEU 131 -13.669 4.246 19.753 935 H ASP 132 H ASP 132 -10.172 1.138 22.196 936 HA ASP 132 HA ASP 132 -10.875 1.207 24.992 937 HB2 ASP 132 2HB ASP 132 -9.618 -0.668 23.726 938 HB3 ASP 132 3HB ASP 132 -8.199 0.358 23.914 939 H PHE 133 H PHE 133 -10.836 3.289 25.729 940 HA PHE 133 HA PHE 133 -9.037 5.292 25.099 941 HB2 PHE 133 2HB PHE 133 -11.115 4.906 26.989 942 HB3 PHE 133 3HB PHE 133 -9.718 5.509 27.875 943 HD1 PHE 133 HD2 PHE 133 -8.444 7.381 26.174 944 HD2 PHE 133 HD1 PHE 133 -12.606 6.597 26.597 945 HE1 PHE 133 HE2 PHE 133 -8.948 9.666 25.413 946 HE2 PHE 133 HE1 PHE 133 -13.117 8.880 25.835 947 HZ PHE 133 HZ PHE 133 -11.287 10.418 25.243 948 H GLU 134 H GLU 134 -8.817 2.845 27.655 949 HA GLU 134 HA GLU 134 -6.487 3.747 28.890 950 HB2 GLU 134 2HB GLU 134 -7.923 1.159 28.712 951 HB3 GLU 134 3HB GLU 134 -6.242 1.087 29.223 952 HG2 GLU 134 2HG GLU 134 -7.087 3.060 30.814 953 HG3 GLU 134 3HG GLU 134 -8.603 2.185 30.610 954 H GLU 135 H GLU 135 -6.944 1.879 25.963 955 HA GLU 135 HA GLU 135 -4.257 1.032 25.658 956 HB2 GLU 135 2HB GLU 135 -6.245 0.047 24.483 957 HB3 GLU 135 3HB GLU 135 -6.289 1.483 23.470 958 HG2 GLU 135 2HG GLU 135 -4.844 0.543 22.093 959 HG3 GLU 135 3HG GLU 135 -3.649 0.495 23.388 960 H ILE 136 H ILE 136 -6.052 3.851 24.511 961 HA ILE 136 HA ILE 136 -3.978 4.901 22.892 962 HB ILE 136 HB ILE 136 -6.281 6.345 24.210 963 HG12 ILE 136 2HG1 ILE 136 -7.051 4.576 22.726 964 HG13 ILE 136 3HG1 ILE 136 -7.344 6.144 21.981 965 HG21 ILE 136 1HG2 ILE 136 -5.907 8.050 22.462 966 HG22 ILE 136 2HG2 ILE 136 -4.551 7.906 23.580 967 HG23 ILE 136 3HG2 ILE 136 -4.448 7.190 21.971 968 HD11 ILE 136 3HD1 ILE 136 -5.071 4.281 21.336 969 HD12 ILE 136 1HD1 ILE 136 -6.521 4.533 20.364 970 HD13 ILE 136 2HD1 ILE 136 -5.367 5.849 20.586 971 H SER 137 H SER 137 -5.023 5.621 26.212 972 HA SER 137 HA SER 137 -3.141 7.644 26.722 973 HB2 SER 137 2HB SER 137 -4.654 7.714 28.409 974 HB3 SER 137 3HB SER 137 -4.985 5.985 28.313 975 HG SER 137 HG SER 137 -3.230 5.578 29.583 976 H ARG 138 H ARG 138 -3.001 4.142 27.136 977 HA ARG 138 HA ARG 138 -0.496 4.103 28.473 978 HB2 ARG 138 2HB ARG 138 -2.135 2.240 28.543 979 HB3 ARG 138 3HB ARG 138 -1.800 1.914 26.847 980 HG2 ARG 138 2HG ARG 138 0.470 1.942 28.768 981 HG3 ARG 138 3HG ARG 138 -0.622 0.555 28.754 982 HD2 ARG 138 2HD ARG 138 -0.222 0.695 26.155 983 HD3 ARG 138 3HD ARG 138 1.249 1.530 26.650 984 HE ARG 138 HE ARG 138 0.693 -1.268 26.885 985 HH11 ARG 138 1HH1 ARG 138 2.475 1.390 28.255 986 HH12 ARG 138 2HH1 ARG 138 3.709 0.382 28.936 987 HH21 ARG 138 1HH2 ARG 138 2.311 -2.606 27.777 988 HH22 ARG 138 2HH2 ARG 138 3.615 -1.890 28.663 989 H LYS 139 H LYS 139 -1.468 3.936 25.095 990 HA LYS 139 HA LYS 139 1.044 3.222 24.026 991 HB2 LYS 139 2HB LYS 139 -1.407 4.538 22.895 992 HB3 LYS 139 3HB LYS 139 0.051 4.382 21.923 993 HG2 LYS 139 2HG LYS 139 -0.633 1.879 23.187 994 HG3 LYS 139 3HG LYS 139 -1.973 2.506 22.224 995 HD2 LYS 139 2HD LYS 139 -0.187 2.895 20.402 996 HD3 LYS 139 3HD LYS 139 0.804 1.785 21.352 997 HE2 LYS 139 2HE LYS 139 -1.958 1.169 20.310 998 HE3 LYS 139 3HE LYS 139 -0.457 0.671 19.532 999 HZ1 LYS 139 3HZ LYS 139 -0.183 -0.177 22.107 1000 HZ2 LYS 139 1HZ LYS 139 -0.607 -1.143 20.784 1001 HZ3 LYS 139 2HZ LYS 139 -1.812 -0.483 21.770 1002 H VAL 140 H VAL 140 -0.523 6.386 24.445 1003 HA VAL 140 HA VAL 140 1.640 7.893 23.403 1004 HB VAL 140 HB VAL 140 -0.607 8.831 23.519 1005 HG11 VAL 140 1HG1 VAL 140 -1.643 9.461 25.602 1006 HG12 VAL 140 2HG1 VAL 140 -1.265 7.738 25.642 1007 HG13 VAL 140 3HG1 VAL 140 -0.246 8.886 26.512 1008 HG21 VAL 140 3HG2 VAL 140 -0.039 11.034 24.328 1009 HG22 VAL 140 1HG2 VAL 140 1.283 10.374 25.292 1010 HG23 VAL 140 2HG2 VAL 140 1.366 10.327 23.531 1011 H LYS 141 H LYS 141 0.760 6.839 26.648 1012 HA LYS 141 HA LYS 141 2.644 8.379 28.067 1013 HB2 LYS 141 2HB LYS 141 0.986 5.981 28.627 1014 HB3 LYS 141 3HB LYS 141 2.377 6.240 29.671 1015 HG2 LYS 141 2HG LYS 141 1.435 8.651 29.887 1016 HG3 LYS 141 3HG LYS 141 -0.068 7.915 29.327 1017 HD2 LYS 141 2HD LYS 141 1.536 6.941 31.689 1018 HD3 LYS 141 3HD LYS 141 0.139 8.015 31.804 1019 HE2 LYS 141 2HE LYS 141 -1.084 6.155 31.970 1020 HE3 LYS 141 3HE LYS 141 -0.790 5.948 30.244 1021 HZ1 LYS 141 3HZ LYS 141 1.088 4.895 32.268 1022 HZ2 LYS 141 1HZ LYS 141 0.928 4.447 30.645 1023 HZ3 LYS 141 2HZ LYS 141 -0.258 4.003 31.765 1024 H SER 142 H SER 142 2.853 5.259 26.466 1025 HA SER 142 HA SER 142 5.371 4.504 27.528 1026 HB2 SER 142 2HB SER 142 3.720 2.954 26.424 1027 HB3 SER 142 3HB SER 142 4.195 3.650 24.875 1028 HG SER 142 HG SER 142 5.379 1.700 26.206 1029 H ASN 143 H ASN 143 4.383 6.427 24.770 1030 HA ASN 143 HA ASN 143 5.539 7.768 23.343 1031 HB2 ASN 143 2HB ASN 143 6.505 8.608 25.501 1032 HB3 ASN 143 3HB ASN 143 7.840 7.480 25.284 1033 HD21 ASN 143 1HD2 ASN 143 8.543 9.994 25.534 1034 HD22 ASN 143 2HD2 ASN 143 9.003 10.693 24.022 1035 H ARG 144 H ARG 144 5.435 5.160 22.595 1036 HA ARG 144 HA ARG 144 7.739 4.944 20.905 1037 HB2 ARG 144 2HB ARG 144 8.292 3.857 23.228 1038 HB3 ARG 144 3HB ARG 144 7.298 2.536 22.628 1039 HG2 ARG 144 2HG ARG 144 9.349 3.489 20.758 1040 HG3 ARG 144 3HG ARG 144 9.963 2.751 22.239 1041 HD2 ARG 144 2HD ARG 144 7.822 1.152 21.281 1042 HD3 ARG 144 3HD ARG 144 8.899 1.485 19.926 1043 HE ARG 144 HE ARG 144 10.424 0.717 22.160 1044 HH11 ARG 144 1HH1 ARG 144 8.204 -0.607 19.829 1045 HH12 ARG 144 2HH1 ARG 144 8.869 -2.205 19.908 1046 HH21 ARG 144 1HH2 ARG 144 11.309 -1.383 22.274 1047 HH22 ARG 144 2HH2 ARG 144 10.635 -2.645 21.300 Start of MODEL 16 1 H MET 9 H MET 9 -7.123 2.387 -11.025 2 HA MET 9 HA MET 9 -6.345 4.371 -9.488 3 HB2 MET 9 2HB MET 9 -9.366 4.491 -9.468 4 HB3 MET 9 3HB MET 9 -8.317 5.349 -8.347 5 HG2 MET 9 2HG MET 9 -8.073 7.018 -9.773 6 HG3 MET 9 3HG MET 9 -7.517 5.917 -11.031 7 HE1 MET 9 3HE MET 9 -10.072 7.612 -13.260 8 HE2 MET 9 1HE MET 9 -8.990 8.421 -12.126 9 HE3 MET 9 2HE MET 9 -8.424 7.021 -13.037 10 H ALA 10 H ALA 10 -6.052 1.707 -9.408 11 HA ALA 10 HA ALA 10 -7.388 0.891 -6.909 12 HB1 ALA 10 1HB ALA 10 -6.149 -1.214 -8.546 13 HB2 ALA 10 2HB ALA 10 -7.692 -1.197 -7.692 14 HB3 ALA 10 3HB ALA 10 -7.548 -0.418 -9.268 15 H MET 11 H MET 11 -6.062 1.091 -5.233 16 HA MET 11 HA MET 11 -4.197 1.077 -3.930 17 HB2 MET 11 2HB MET 11 -3.347 -1.100 -5.849 18 HB3 MET 11 3HB MET 11 -2.623 -0.784 -4.278 19 HG2 MET 11 2HG MET 11 -4.215 -1.898 -3.196 20 HG3 MET 11 3HG MET 11 -5.502 -1.156 -4.143 21 HE1 MET 11 3HE MET 11 -6.993 -3.627 -5.843 22 HE2 MET 11 1HE MET 11 -6.666 -1.900 -5.703 23 HE3 MET 11 2HE MET 11 -6.036 -2.808 -7.078 24 H SER 12 H SER 12 -4.277 2.862 -6.246 25 HA SER 12 HA SER 12 -1.583 3.780 -6.148 26 HB2 SER 12 2HB SER 12 -1.425 1.915 -7.836 27 HB3 SER 12 3HB SER 12 -2.527 2.834 -8.861 28 HG SER 12 HG SER 12 0.143 3.264 -8.292 29 H GLY 13 H GLY 13 -3.101 5.455 -5.323 30 HA2 GLY 13 2HA GLY 13 -3.329 7.590 -7.104 31 HA3 GLY 13 3HA GLY 13 -4.899 6.804 -7.038 32 H VAL 14 H VAL 14 -4.535 6.016 -4.223 33 HA VAL 14 HA VAL 14 -5.859 8.069 -2.950 34 HB VAL 14 HB VAL 14 -5.790 5.868 -1.972 35 HG11 VAL 14 1HG1 VAL 14 -3.443 5.374 -2.690 36 HG12 VAL 14 2HG1 VAL 14 -2.886 6.329 -1.315 37 HG13 VAL 14 3HG1 VAL 14 -3.833 4.865 -1.048 38 HG21 VAL 14 3HG2 VAL 14 -5.440 8.246 -0.551 39 HG22 VAL 14 1HG2 VAL 14 -6.107 6.730 0.054 40 HG23 VAL 14 2HG2 VAL 14 -4.387 7.073 0.240 41 H SER 15 H SER 15 -5.290 10.042 -2.342 42 HA SER 15 HA SER 15 -2.564 10.549 -1.421 43 HB2 SER 15 2HB SER 15 -2.193 12.398 -2.869 44 HB3 SER 15 3HB SER 15 -2.767 11.091 -3.903 45 HG SER 15 HG SER 15 -3.743 13.378 -3.986 46 H VAL 16 H VAL 16 -2.436 12.015 0.201 47 HA VAL 16 HA VAL 16 -4.859 12.807 1.493 48 HB VAL 16 HB VAL 16 -2.938 12.228 2.842 49 HG11 VAL 16 1HG1 VAL 16 -0.861 12.884 2.392 50 HG12 VAL 16 2HG1 VAL 16 -1.491 13.667 0.941 51 HG13 VAL 16 3HG1 VAL 16 -1.326 14.585 2.438 52 HG21 VAL 16 3HG2 VAL 16 -3.164 15.170 3.280 53 HG22 VAL 16 1HG2 VAL 16 -4.603 14.163 3.433 54 HG23 VAL 16 2HG2 VAL 16 -3.197 13.852 4.451 55 H ALA 17 H ALA 17 -6.013 14.578 1.140 56 HA ALA 17 HA ALA 17 -5.231 16.563 -0.726 57 HB1 ALA 17 1HB ALA 17 -7.536 16.298 1.173 58 HB2 ALA 17 2HB ALA 17 -7.304 17.756 0.207 59 HB3 ALA 17 3HB ALA 17 -7.530 16.198 -0.588 60 H ASP 18 H ASP 18 -4.949 18.835 -0.342 61 HA ASP 18 HA ASP 18 -3.048 19.440 1.610 62 HB2 ASP 18 2HB ASP 18 -4.848 21.257 0.000 63 HB3 ASP 18 3HB ASP 18 -3.523 21.836 1.006 64 H GLU 19 H GLU 19 -6.547 19.822 1.610 65 HA GLU 19 HA GLU 19 -6.830 21.440 3.863 66 HB2 GLU 19 2HB GLU 19 -9.103 20.589 4.008 67 HB3 GLU 19 3HB GLU 19 -8.675 20.888 2.329 68 HG2 GLU 19 2HG GLU 19 -8.245 18.495 2.024 69 HG3 GLU 19 3HG GLU 19 -8.717 18.208 3.698 70 H CYS 20 H CYS 20 -6.393 17.958 3.583 71 HA CYS 20 HA CYS 20 -6.879 17.360 6.313 72 HB2 CYS 20 2HB CYS 20 -7.040 15.604 4.669 73 HB3 CYS 20 3HB CYS 20 -5.372 15.856 4.168 74 HG CYS 20 HG CYS 20 -5.817 13.438 5.703 75 H VAL 21 H VAL 21 -3.916 17.941 4.452 76 HA VAL 21 HA VAL 21 -2.064 17.435 6.481 77 HB VAL 21 HB VAL 21 -1.755 19.509 4.309 78 HG11 VAL 21 1HG1 VAL 21 0.569 17.929 4.989 79 HG12 VAL 21 2HG1 VAL 21 0.372 19.682 4.945 80 HG13 VAL 21 3HG1 VAL 21 -0.070 18.780 6.395 81 HG21 VAL 21 3HG2 VAL 21 -2.047 17.829 2.866 82 HG22 VAL 21 1HG2 VAL 21 -0.502 17.209 3.448 83 HG23 VAL 21 2HG2 VAL 21 -2.009 16.616 4.146 84 H THR 22 H THR 22 -3.484 20.544 5.470 85 HA THR 22 HA THR 22 -2.246 22.104 7.454 86 HB THR 22 HB THR 22 -4.904 22.656 6.123 87 HG1 THR 22 HG1 THR 22 -3.429 22.408 4.491 88 HG21 THR 22 3HG2 THR 22 -3.183 24.151 7.947 89 HG22 THR 22 1HG2 THR 22 -4.866 24.428 7.499 90 HG23 THR 22 2HG2 THR 22 -3.568 25.037 6.472 91 H ALA 23 H ALA 23 -5.358 20.425 7.384 92 HA ALA 23 HA ALA 23 -6.436 21.416 9.758 93 HB1 ALA 23 1HB ALA 23 -7.973 20.237 8.536 94 HB2 ALA 23 2HB ALA 23 -6.843 18.935 8.163 95 HB3 ALA 23 3HB ALA 23 -7.563 19.045 9.769 96 H LEU 24 H LEU 24 -4.318 18.626 9.205 97 HA LEU 24 HA LEU 24 -4.288 17.774 11.915 98 HB2 LEU 24 2HB LEU 24 -2.332 17.258 9.680 99 HB3 LEU 24 3HB LEU 24 -2.341 16.419 11.230 100 HG LEU 24 HG LEU 24 -4.720 16.346 9.400 101 HD11 LEU 24 1HD1 LEU 24 -3.585 13.980 8.916 102 HD12 LEU 24 2HD1 LEU 24 -2.128 14.951 9.123 103 HD13 LEU 24 3HD1 LEU 24 -3.317 15.396 7.900 104 HD21 LEU 24 3HD2 LEU 24 -4.012 14.023 11.018 105 HD22 LEU 24 1HD2 LEU 24 -5.552 14.868 10.856 106 HD23 LEU 24 2HD2 LEU 24 -4.326 15.475 11.970 107 H ASN 25 H ASN 25 -2.154 19.822 9.974 108 HA ASN 25 HA ASN 25 -0.082 20.153 11.805 109 HB2 ASN 25 2HB ASN 25 0.330 20.972 9.645 110 HB3 ASN 25 3HB ASN 25 -1.169 21.895 9.609 111 HD21 ASN 25 1HD2 ASN 25 2.143 21.938 10.293 112 HD22 ASN 25 2HD2 ASN 25 2.238 23.541 10.932 113 H ASP 26 H ASP 26 -3.065 22.035 11.405 114 HA ASP 26 HA ASP 26 -2.486 23.840 13.533 115 HB2 ASP 26 2HB ASP 26 -5.191 23.189 12.348 116 HB3 ASP 26 3HB ASP 26 -4.744 24.644 13.236 117 H LEU 27 H LEU 27 -4.402 20.883 13.255 118 HA LEU 27 HA LEU 27 -5.634 20.905 15.746 119 HB2 LEU 27 2HB LEU 27 -6.264 19.311 14.071 120 HB3 LEU 27 3HB LEU 27 -4.652 18.600 14.075 121 HG LEU 27 HG LEU 27 -5.464 18.273 16.681 122 HD11 LEU 27 1HD1 LEU 27 -7.825 18.404 14.920 123 HD12 LEU 27 2HD1 LEU 27 -7.685 18.659 16.660 124 HD13 LEU 27 3HD1 LEU 27 -7.744 17.020 16.011 125 HD21 LEU 27 3HD2 LEU 27 -4.351 16.702 14.999 126 HD22 LEU 27 1HD2 LEU 27 -5.990 16.236 14.540 127 HD23 LEU 27 2HD2 LEU 27 -5.432 15.984 16.194 128 H ARG 28 H ARG 28 -2.377 19.960 14.836 129 HA ARG 28 HA ARG 28 -1.642 18.676 17.226 130 HB2 ARG 28 2HB ARG 28 0.455 18.568 16.336 131 HB3 ARG 28 3HB ARG 28 -0.429 18.968 14.870 132 HG2 ARG 28 2HG ARG 28 0.080 21.428 15.579 133 HG3 ARG 28 3HG ARG 28 1.364 20.674 16.526 134 HD2 ARG 28 2HD ARG 28 1.047 19.897 13.669 135 HD3 ARG 28 3HD ARG 28 1.770 21.461 14.043 136 HE ARG 28 HE ARG 28 2.955 19.326 15.527 137 HH11 ARG 28 1HH1 ARG 28 2.940 20.953 12.449 138 HH12 ARG 28 2HH1 ARG 28 4.567 20.504 12.057 139 HH21 ARG 28 1HH2 ARG 28 5.098 18.728 15.022 140 HH22 ARG 28 2HH2 ARG 28 5.793 19.238 13.520 141 H HIS 29 H HIS 29 -2.024 22.015 16.421 142 HA HIS 29 HA HIS 29 -0.630 22.863 18.854 143 HB2 HIS 29 2HB HIS 29 -0.810 23.976 16.296 144 HB3 HIS 29 3HB HIS 29 -1.814 25.012 17.307 145 HD1 HIS 29 HD1 HIS 29 1.679 24.237 16.492 146 HD2 HIS 29 HD2 HIS 29 -0.382 26.223 19.504 147 HE1 HIS 29 HE1 HIS 29 3.408 25.609 17.697 148 H LYS 30 H LYS 30 -3.364 21.529 18.595 149 HA LYS 30 HA LYS 30 -5.364 21.611 19.673 150 HB2 LYS 30 2HB LYS 30 -4.215 23.931 21.227 151 HB3 LYS 30 3HB LYS 30 -5.521 22.861 21.719 152 HG2 LYS 30 2HG LYS 30 -3.985 21.008 21.907 153 HG3 LYS 30 3HG LYS 30 -2.663 22.008 21.301 154 HD2 LYS 30 2HD LYS 30 -2.237 22.334 23.489 155 HD3 LYS 30 3HD LYS 30 -3.535 23.525 23.367 156 HE2 LYS 30 2HE LYS 30 -5.040 21.413 23.864 157 HE3 LYS 30 3HE LYS 30 -3.548 20.806 24.580 158 HZ1 LYS 30 3HZ LYS 30 -4.905 21.933 26.220 159 HZ2 LYS 30 1HZ LYS 30 -4.903 23.350 25.295 160 HZ3 LYS 30 2HZ LYS 30 -3.462 22.783 25.974 161 H LYS 31 H LYS 31 -5.350 22.837 17.251 162 HA LYS 31 HA LYS 31 -6.346 25.507 17.326 163 HB2 LYS 31 2HB LYS 31 -6.693 25.282 14.984 164 HB3 LYS 31 3HB LYS 31 -5.220 24.397 15.356 165 HG2 LYS 31 2HG LYS 31 -6.165 22.801 14.099 166 HG3 LYS 31 3HG LYS 31 -7.040 22.421 15.584 167 HD2 LYS 31 2HD LYS 31 -8.707 22.546 13.946 168 HD3 LYS 31 3HD LYS 31 -8.786 24.107 14.766 169 HE2 LYS 31 2HE LYS 31 -8.570 25.071 12.774 170 HE3 LYS 31 3HE LYS 31 -6.920 24.454 12.724 171 HZ1 LYS 31 3HZ LYS 31 -7.841 23.647 10.784 172 HZ2 LYS 31 1HZ LYS 31 -9.349 23.338 11.485 173 HZ3 LYS 31 2HZ LYS 31 -8.035 22.332 11.830 174 H SER 32 H SER 32 -7.790 22.337 17.492 175 HA SER 32 HA SER 32 -10.371 23.577 18.069 176 HB2 SER 32 2HB SER 32 -9.773 22.092 15.649 177 HB3 SER 32 3HB SER 32 -11.055 21.313 16.575 178 HG SER 32 HG SER 32 -11.719 22.994 15.041 179 H ARG 33 H ARG 33 -9.496 20.208 17.400 180 HA ARG 33 HA ARG 33 -9.072 19.359 20.019 181 HB2 ARG 33 2HB ARG 33 -11.864 19.799 19.352 182 HB3 ARG 33 3HB ARG 33 -11.561 18.124 19.797 183 HG2 ARG 33 2HG ARG 33 -10.348 20.138 21.563 184 HG3 ARG 33 3HG ARG 33 -12.112 20.085 21.558 185 HD2 ARG 33 2HD ARG 33 -12.055 17.704 22.063 186 HD3 ARG 33 3HD ARG 33 -10.293 17.724 22.019 187 HE ARG 33 HE ARG 33 -11.082 19.613 23.892 188 HH11 ARG 33 1HH1 ARG 33 -11.311 16.170 23.432 189 HH12 ARG 33 2HH1 ARG 33 -11.328 15.813 25.127 190 HH21 ARG 33 1HH2 ARG 33 -11.103 19.156 26.127 191 HH22 ARG 33 2HH2 ARG 33 -11.210 17.512 26.659 192 H TYR 34 H TYR 34 -11.260 18.004 17.559 193 HA TYR 34 HA TYR 34 -9.221 15.989 16.927 194 HB2 TYR 34 2HB TYR 34 -11.490 14.502 16.749 195 HB3 TYR 34 3HB TYR 34 -10.431 14.524 18.155 196 HD1 TYR 34 HD2 TYR 34 -13.217 16.625 16.795 197 HD2 TYR 34 HD1 TYR 34 -11.506 14.695 20.179 198 HE1 TYR 34 HE2 TYR 34 -15.087 17.415 18.184 199 HE2 TYR 34 HE1 TYR 34 -13.372 15.479 21.577 200 HH TYR 34 HH TYR 34 -15.642 16.241 21.359 201 H VAL 35 H VAL 35 -9.176 15.308 14.823 202 HA VAL 35 HA VAL 35 -11.194 16.447 13.005 203 HB VAL 35 HB VAL 35 -9.357 16.707 11.314 204 HG11 VAL 35 1HG1 VAL 35 -9.808 18.331 13.709 205 HG12 VAL 35 2HG1 VAL 35 -8.285 18.662 12.881 206 HG13 VAL 35 3HG1 VAL 35 -9.812 18.792 12.007 207 HG21 VAL 35 3HG2 VAL 35 -7.857 15.395 13.330 208 HG22 VAL 35 1HG2 VAL 35 -7.322 15.930 11.737 209 HG23 VAL 35 2HG2 VAL 35 -7.183 17.012 13.122 210 H ILE 36 H ILE 36 -12.235 14.898 11.958 211 HA ILE 36 HA ILE 36 -10.866 12.334 11.493 212 HB ILE 36 HB ILE 36 -13.841 12.788 11.375 213 HG12 ILE 36 2HG1 ILE 36 -12.182 11.862 13.730 214 HG13 ILE 36 3HG1 ILE 36 -13.043 13.393 13.615 215 HG21 ILE 36 1HG2 ILE 36 -12.174 10.623 10.700 216 HG22 ILE 36 2HG2 ILE 36 -13.011 10.174 12.185 217 HG23 ILE 36 3HG2 ILE 36 -13.936 10.657 10.763 218 HD11 ILE 36 3HD1 ILE 36 -15.155 12.045 13.373 219 HD12 ILE 36 1HD1 ILE 36 -14.199 10.632 13.815 220 HD13 ILE 36 2HD1 ILE 36 -14.365 11.974 14.948 221 H MET 37 H MET 37 -10.662 11.520 9.473 222 HA MET 37 HA MET 37 -12.014 12.902 7.265 223 HB2 MET 37 2HB MET 37 -9.905 12.826 5.951 224 HB3 MET 37 3HB MET 37 -9.816 13.893 7.346 225 HG2 MET 37 2HG MET 37 -8.911 11.111 7.745 226 HG3 MET 37 3HG MET 37 -7.912 12.136 6.717 227 HE1 MET 37 3HE MET 37 -6.269 11.313 8.289 228 HE2 MET 37 1HE MET 37 -5.611 12.495 9.421 229 HE3 MET 37 2HE MET 37 -6.625 11.178 10.011 230 H HIS 38 H HIS 38 -12.147 11.656 5.301 231 HA HIS 38 HA HIS 38 -11.657 8.778 5.641 232 HB2 HIS 38 2HB HIS 38 -13.820 8.186 4.884 233 HB3 HIS 38 3HB HIS 38 -14.076 9.441 6.093 234 HD1 HIS 38 HD1 HIS 38 -15.619 8.511 3.215 235 HD2 HIS 38 HD2 HIS 38 -13.861 12.108 4.325 236 HE1 HIS 38 HE1 HIS 38 -16.674 10.257 1.745 237 H ILE 39 H ILE 39 -11.812 7.585 3.541 238 HA ILE 39 HA ILE 39 -10.349 9.064 1.522 239 HB ILE 39 HB ILE 39 -11.180 6.168 1.405 240 HG12 ILE 39 2HG1 ILE 39 -8.687 7.385 2.613 241 HG13 ILE 39 3HG1 ILE 39 -9.962 6.545 3.488 242 HG21 ILE 39 1HG2 ILE 39 -8.683 7.249 0.210 243 HG22 ILE 39 2HG2 ILE 39 -9.716 5.927 -0.330 244 HG23 ILE 39 3HG2 ILE 39 -10.215 7.598 -0.592 245 HD11 ILE 39 3HD1 ILE 39 -9.341 4.591 1.847 246 HD12 ILE 39 1HD1 ILE 39 -7.808 5.458 1.763 247 HD13 ILE 39 2HD1 ILE 39 -8.415 4.887 3.318 248 H VAL 40 H VAL 40 -11.206 9.917 -0.252 249 HA VAL 40 HA VAL 40 -13.955 9.157 -0.980 250 HB VAL 40 HB VAL 40 -12.454 11.709 -1.579 251 HG11 VAL 40 1HG1 VAL 40 -14.821 10.526 -2.769 252 HG12 VAL 40 2HG1 VAL 40 -15.141 12.122 -2.087 253 HG13 VAL 40 3HG1 VAL 40 -13.868 11.914 -3.291 254 HG21 VAL 40 3HG2 VAL 40 -13.093 11.647 0.726 255 HG22 VAL 40 1HG2 VAL 40 -14.214 12.716 -0.117 256 HG23 VAL 40 2HG2 VAL 40 -14.713 11.082 0.317 257 H ASP 41 H ASP 41 -14.376 8.316 -2.932 258 HA ASP 41 HA ASP 41 -13.986 7.287 -4.930 259 HB2 ASP 41 2HB ASP 41 -12.601 9.936 -5.221 260 HB3 ASP 41 3HB ASP 41 -12.560 8.760 -6.532 261 H GLN 42 H GLN 42 -12.232 6.547 -2.775 262 HA GLN 42 HA GLN 42 -10.081 5.759 -2.344 263 HB2 GLN 42 2HB GLN 42 -9.710 3.719 -3.651 264 HB3 GLN 42 3HB GLN 42 -11.392 3.866 -3.160 265 HG2 GLN 42 2HG GLN 42 -10.856 5.044 -5.766 266 HG3 GLN 42 3HG GLN 42 -10.490 3.322 -5.689 267 HE21 GLN 42 1HE2 GLN 42 -12.972 5.125 -3.952 268 HE22 GLN 42 2HE2 GLN 42 -14.318 4.287 -4.639 269 H LYS 43 H LYS 43 -9.499 8.109 -3.350 270 HA LYS 43 HA LYS 43 -7.057 7.666 -4.764 271 HB2 LYS 43 2HB LYS 43 -8.509 7.605 -6.694 272 HB3 LYS 43 3HB LYS 43 -9.317 9.081 -6.185 273 HG2 LYS 43 2HG LYS 43 -6.401 9.273 -6.567 274 HG3 LYS 43 3HG LYS 43 -7.365 9.007 -8.021 275 HD2 LYS 43 2HD LYS 43 -8.393 11.039 -7.876 276 HD3 LYS 43 3HD LYS 43 -8.298 11.083 -6.114 277 HE2 LYS 43 2HE LYS 43 -6.101 11.839 -6.129 278 HE3 LYS 43 3HE LYS 43 -5.813 11.272 -7.773 279 HZ1 LYS 43 3HZ LYS 43 -6.078 13.748 -7.457 280 HZ2 LYS 43 1HZ LYS 43 -7.720 13.454 -7.174 281 HZ3 LYS 43 2HZ LYS 43 -7.032 13.045 -8.664 282 H SER 44 H SER 44 -9.487 9.950 -3.628 283 HA SER 44 HA SER 44 -7.303 11.729 -2.773 284 HB2 SER 44 2HB SER 44 -9.170 12.358 -4.728 285 HB3 SER 44 3HB SER 44 -9.815 13.125 -3.277 286 HG SER 44 HG SER 44 -7.716 13.858 -4.798 287 H ILE 45 H ILE 45 -7.308 12.176 -0.670 288 HA ILE 45 HA ILE 45 -9.436 11.171 0.999 289 HB ILE 45 HB ILE 45 -7.023 12.753 1.876 290 HG12 ILE 45 2HG1 ILE 45 -6.256 10.845 0.577 291 HG13 ILE 45 3HG1 ILE 45 -5.953 10.555 2.287 292 HG21 ILE 45 1HG2 ILE 45 -7.397 11.379 3.970 293 HG22 ILE 45 2HG2 ILE 45 -8.596 12.626 3.629 294 HG23 ILE 45 3HG2 ILE 45 -8.959 10.935 3.283 295 HD11 ILE 45 3HD1 ILE 45 -6.874 8.565 1.888 296 HD12 ILE 45 1HD1 ILE 45 -8.407 9.432 1.970 297 HD13 ILE 45 2HD1 ILE 45 -7.656 9.113 0.406 298 H ALA 46 H ALA 46 -11.031 12.300 1.927 299 HA ALA 46 HA ALA 46 -10.884 15.240 1.874 300 HB1 ALA 46 1HB ALA 46 -12.898 15.494 0.858 301 HB2 ALA 46 2HB ALA 46 -12.434 13.953 0.135 302 HB3 ALA 46 3HB ALA 46 -13.542 13.985 1.506 303 H VAL 47 H VAL 47 -12.515 16.252 3.360 304 HA VAL 47 HA VAL 47 -12.286 15.051 5.953 305 HB VAL 47 HB VAL 47 -12.122 17.495 5.621 306 HG11 VAL 47 1HG1 VAL 47 -14.993 17.963 5.508 307 HG12 VAL 47 2HG1 VAL 47 -13.684 18.721 4.598 308 HG13 VAL 47 3HG1 VAL 47 -14.365 17.187 4.054 309 HG21 VAL 47 3HG2 VAL 47 -13.158 16.182 7.725 310 HG22 VAL 47 1HG2 VAL 47 -12.916 17.928 7.693 311 HG23 VAL 47 2HG2 VAL 47 -14.507 17.252 7.345 312 H LYS 48 H LYS 48 -13.827 14.096 7.189 313 HA LYS 48 HA LYS 48 -16.413 13.565 5.884 314 HB2 LYS 48 2HB LYS 48 -14.863 11.621 6.390 315 HB3 LYS 48 3HB LYS 48 -15.150 11.945 8.095 316 HG2 LYS 48 2HG LYS 48 -16.571 10.148 7.294 317 HG3 LYS 48 3HG LYS 48 -17.536 11.545 7.777 318 HD2 LYS 48 2HD LYS 48 -18.380 11.779 5.724 319 HD3 LYS 48 3HD LYS 48 -16.783 11.666 4.979 320 HE2 LYS 48 2HE LYS 48 -18.021 9.848 4.126 321 HE3 LYS 48 3HE LYS 48 -16.943 9.165 5.342 322 HZ1 LYS 48 3HZ LYS 48 -18.690 8.370 6.416 323 HZ2 LYS 48 1HZ LYS 48 -19.718 8.973 5.215 324 HZ3 LYS 48 2HZ LYS 48 -19.356 9.917 6.571 325 H THR 49 H THR 49 -15.016 13.887 9.152 326 HA THR 49 HA THR 49 -17.220 15.620 9.920 327 HB THR 49 HB THR 49 -17.836 14.336 11.887 328 HG1 THR 49 HG1 THR 49 -15.980 12.402 10.909 329 HG21 THR 49 3HG2 THR 49 -19.103 12.637 10.844 330 HG22 THR 49 1HG2 THR 49 -17.912 12.426 9.561 331 HG23 THR 49 2HG2 THR 49 -18.899 13.887 9.616 332 H ILE 50 H ILE 50 -15.930 17.306 10.444 333 HA ILE 50 HA ILE 50 -13.616 16.850 12.176 334 HB ILE 50 HB ILE 50 -13.448 18.297 10.109 335 HG12 ILE 50 2HG1 ILE 50 -12.781 19.628 12.743 336 HG13 ILE 50 3HG1 ILE 50 -11.820 18.366 11.980 337 HG21 ILE 50 1HG2 ILE 50 -14.337 20.500 10.118 338 HG22 ILE 50 2HG2 ILE 50 -15.665 19.407 10.504 339 HG23 ILE 50 3HG2 ILE 50 -14.889 20.339 11.785 340 HD11 ILE 50 3HD1 ILE 50 -10.825 19.811 10.617 341 HD12 ILE 50 1HD1 ILE 50 -12.342 20.615 10.216 342 HD13 ILE 50 2HD1 ILE 50 -11.467 21.063 11.680 343 H GLY 51 H GLY 51 -13.443 17.637 14.227 344 HA2 GLY 51 2HA GLY 51 -15.916 18.752 15.379 345 HA3 GLY 51 3HA GLY 51 -14.708 17.839 16.271 346 H GLU 52 H GLU 52 -15.092 19.811 17.690 347 HA GLU 52 HA GLU 52 -12.868 21.605 17.298 348 HB2 GLU 52 2HB GLU 52 -14.608 23.559 17.834 349 HB3 GLU 52 3HB GLU 52 -14.181 23.101 16.192 350 HG2 GLU 52 2HG GLU 52 -16.202 22.156 15.774 351 HG3 GLU 52 3HG GLU 52 -16.458 21.690 17.455 352 H ARG 53 H ARG 53 -15.853 21.130 19.184 353 HA ARG 53 HA ARG 53 -14.580 20.514 21.584 354 HB2 ARG 53 2HB ARG 53 -14.588 23.328 20.981 355 HB3 ARG 53 3HB ARG 53 -15.575 23.021 22.404 356 HG2 ARG 53 2HG ARG 53 -13.750 22.003 23.546 357 HG3 ARG 53 3HG ARG 53 -12.760 22.012 22.085 358 HD2 ARG 53 2HD ARG 53 -12.244 23.812 23.776 359 HD3 ARG 53 3HD ARG 53 -12.548 24.367 22.130 360 HE ARG 53 HE ARG 53 -14.412 25.467 22.879 361 HH11 ARG 53 1HH1 ARG 53 -13.356 23.211 25.311 362 HH12 ARG 53 2HH1 ARG 53 -14.456 23.793 26.515 363 HH21 ARG 53 1HH2 ARG 53 -15.865 26.243 24.457 364 HH22 ARG 53 2HH2 ARG 53 -15.884 25.518 26.028 365 H GLY 54 H GLY 54 -16.892 19.816 19.994 366 HA2 GLY 54 2HA GLY 54 -18.834 19.728 22.140 367 HA3 GLY 54 3HA GLY 54 -19.353 20.635 20.728 368 H ALA 55 H ALA 55 -17.231 17.970 20.222 369 HA ALA 55 HA ALA 55 -19.413 16.516 18.921 370 HB1 ALA 55 1HB ALA 55 -17.880 15.630 17.488 371 HB2 ALA 55 2HB ALA 55 -17.041 17.123 17.912 372 HB3 ALA 55 3HB ALA 55 -16.595 15.608 18.696 373 H ASN 56 H ASN 56 -20.448 15.332 20.451 374 HA ASN 56 HA ASN 56 -19.111 13.992 22.580 375 HB2 ASN 56 2HB ASN 56 -21.885 14.232 21.591 376 HB3 ASN 56 3HB ASN 56 -21.518 12.741 22.454 377 HD21 ASN 56 1HD2 ASN 56 -22.671 13.153 24.269 378 HD22 ASN 56 2HD2 ASN 56 -22.302 14.428 25.375 379 H PHE 57 H PHE 57 -19.512 11.566 22.911 380 HA PHE 57 HA PHE 57 -18.152 10.171 20.844 381 HB2 PHE 57 2HB PHE 57 -18.375 8.213 22.267 382 HB3 PHE 57 3HB PHE 57 -17.934 9.607 23.247 383 HD1 PHE 57 HD1 PHE 57 -19.498 10.569 24.821 384 HD2 PHE 57 HD2 PHE 57 -20.554 7.192 22.454 385 HE1 PHE 57 HE1 PHE 57 -21.432 10.152 26.284 386 HE2 PHE 57 HE2 PHE 57 -22.490 6.771 23.913 387 HZ PHE 57 HZ PHE 57 -22.932 8.252 25.830 388 H ASP 58 H ASP 58 -21.511 10.456 21.795 389 HA ASP 58 HA ASP 58 -22.576 8.301 20.362 390 HB2 ASP 58 2HB ASP 58 -23.667 10.010 22.054 391 HB3 ASP 58 3HB ASP 58 -24.108 10.860 20.575 392 H GLN 59 H GLN 59 -22.074 11.679 19.385 393 HA GLN 59 HA GLN 59 -23.117 11.349 16.768 394 HB2 GLN 59 2HB GLN 59 -21.119 13.428 17.662 395 HB3 GLN 59 3HB GLN 59 -22.242 13.537 16.313 396 HG2 GLN 59 2HG GLN 59 -24.050 13.240 18.172 397 HG3 GLN 59 3HG GLN 59 -22.757 13.795 19.234 398 HE21 GLN 59 1HE2 GLN 59 -23.554 15.763 19.745 399 HE22 GLN 59 2HE2 GLN 59 -23.808 17.033 18.602 400 H PHE 60 H PHE 60 -19.959 10.898 18.191 401 HA PHE 60 HA PHE 60 -18.451 10.839 15.806 402 HB2 PHE 60 2HB PHE 60 -17.295 11.099 17.885 403 HB3 PHE 60 3HB PHE 60 -17.978 9.605 18.520 404 HD1 PHE 60 HD1 PHE 60 -17.138 7.443 17.787 405 HD2 PHE 60 HD2 PHE 60 -15.427 11.077 16.380 406 HE1 PHE 60 HE1 PHE 60 -15.174 6.201 16.979 407 HE2 PHE 60 HE2 PHE 60 -13.460 9.841 15.569 408 HZ PHE 60 HZ PHE 60 -13.332 7.400 15.867 409 H ILE 61 H ILE 61 -19.865 8.218 17.753 410 HA ILE 61 HA ILE 61 -19.071 6.150 15.973 411 HB ILE 61 HB ILE 61 -19.570 5.671 18.311 412 HG12 ILE 61 2HG1 ILE 61 -21.740 4.074 17.280 413 HG13 ILE 61 3HG1 ILE 61 -20.460 4.201 16.078 414 HG21 ILE 61 1HG2 ILE 61 -21.830 5.724 19.182 415 HG22 ILE 61 2HG2 ILE 61 -21.373 7.321 18.592 416 HG23 ILE 61 3HG2 ILE 61 -22.439 6.298 17.630 417 HD11 ILE 61 3HD1 ILE 61 -18.845 3.374 17.695 418 HD12 ILE 61 1HD1 ILE 61 -20.110 3.275 18.919 419 HD13 ILE 61 2HD1 ILE 61 -20.181 2.241 17.492 420 H GLU 62 H GLU 62 -21.971 8.116 16.301 421 HA GLU 62 HA GLU 62 -23.623 6.646 14.554 422 HB2 GLU 62 2HB GLU 62 -24.327 8.465 16.179 423 HB3 GLU 62 3HB GLU 62 -23.750 9.628 14.993 424 HG2 GLU 62 2HG GLU 62 -25.729 9.556 14.021 425 HG3 GLU 62 3HG GLU 62 -25.428 7.872 13.597 426 H ALA 63 H ALA 63 -21.354 9.297 14.009 427 HA ALA 63 HA ALA 63 -21.980 9.600 11.240 428 HB1 ALA 63 1HB ALA 63 -19.316 10.457 12.147 429 HB2 ALA 63 2HB ALA 63 -20.570 11.353 11.289 430 HB3 ALA 63 3HB ALA 63 -20.677 11.142 13.036 431 H ILE 64 H ILE 64 -19.218 8.144 12.960 432 HA ILE 64 HA ILE 64 -18.033 7.111 10.581 433 HB ILE 64 HB ILE 64 -16.763 7.604 12.674 434 HG12 ILE 64 2HG1 ILE 64 -16.488 4.725 11.797 435 HG13 ILE 64 3HG1 ILE 64 -15.944 6.091 10.829 436 HG21 ILE 64 1HG2 ILE 64 -17.125 6.559 14.626 437 HG22 ILE 64 2HG2 ILE 64 -18.695 6.160 13.930 438 HG23 ILE 64 3HG2 ILE 64 -17.375 4.993 13.854 439 HD11 ILE 64 3HD1 ILE 64 -14.962 5.412 13.591 440 HD12 ILE 64 1HD1 ILE 64 -14.122 5.054 12.082 441 HD13 ILE 64 2HD1 ILE 64 -14.385 6.729 12.569 442 H ASP 65 H ASP 65 -17.945 4.986 9.840 443 HA ASP 65 HA ASP 65 -19.865 3.102 11.027 444 HB2 ASP 65 2HB ASP 65 -20.069 4.378 8.463 445 HB3 ASP 65 3HB ASP 65 -19.840 2.646 8.235 446 H LYS 66 H LYS 66 -19.111 1.090 11.276 447 HA LYS 66 HA LYS 66 -16.383 0.508 10.784 448 HB2 LYS 66 2HB LYS 66 -17.040 -1.821 11.499 449 HB3 LYS 66 3HB LYS 66 -17.421 -0.545 12.648 450 HG2 LYS 66 2HG LYS 66 -19.633 -0.881 12.485 451 HG3 LYS 66 3HG LYS 66 -19.565 -1.180 10.747 452 HD2 LYS 66 2HD LYS 66 -18.248 -3.295 12.191 453 HD3 LYS 66 3HD LYS 66 -19.893 -3.067 12.790 454 HE2 LYS 66 2HE LYS 66 -19.630 -3.013 9.868 455 HE3 LYS 66 3HE LYS 66 -19.216 -4.556 10.613 456 HZ1 LYS 66 3HZ LYS 66 -21.680 -3.246 11.483 457 HZ2 LYS 66 1HZ LYS 66 -21.333 -4.893 11.315 458 HZ3 LYS 66 2HZ LYS 66 -21.675 -3.957 9.948 459 H ASN 67 H ASN 67 -16.030 0.759 8.559 460 HA ASN 67 HA ASN 67 -16.185 -1.560 7.012 461 HB2 ASN 67 2HB ASN 67 -18.560 0.100 6.907 462 HB3 ASN 67 3HB ASN 67 -17.805 -0.029 5.321 463 HD21 ASN 67 1HD2 ASN 67 -16.839 -2.508 5.227 464 HD22 ASN 67 2HD2 ASN 67 -18.100 -3.677 5.395 465 H VAL 68 H VAL 68 -16.791 1.788 5.980 466 HA VAL 68 HA VAL 68 -14.664 1.741 4.093 467 HB VAL 68 HB VAL 68 -15.158 4.070 3.689 468 HG11 VAL 68 1HG1 VAL 68 -17.633 2.421 4.186 469 HG12 VAL 68 2HG1 VAL 68 -17.602 3.919 3.254 470 HG13 VAL 68 3HG1 VAL 68 -16.695 2.513 2.696 471 HG21 VAL 68 3HG2 VAL 68 -15.544 5.304 5.524 472 HG22 VAL 68 1HG2 VAL 68 -17.228 4.831 5.294 473 HG23 VAL 68 2HG2 VAL 68 -16.206 3.938 6.421 474 HA PRO 69 HA PRO 69 -11.204 2.973 6.502 475 HB2 PRO 69 2HB PRO 69 -9.803 4.411 4.675 476 HB3 PRO 69 3HB PRO 69 -9.936 2.650 4.613 477 HG2 PRO 69 2HG PRO 69 -11.459 4.720 3.078 478 HG3 PRO 69 3HG PRO 69 -10.761 3.194 2.508 479 HD2 PRO 69 2HD PRO 69 -13.394 3.469 3.074 480 HD3 PRO 69 3HD PRO 69 -12.521 1.942 3.312 481 H CYS 70 H CYS 70 -10.440 4.655 7.740 482 HA CYS 70 HA CYS 70 -10.794 7.388 7.172 483 HB2 CYS 70 2HB CYS 70 -12.484 7.847 9.018 484 HB3 CYS 70 3HB CYS 70 -13.122 7.138 7.540 485 HG CYS 70 HG CYS 70 -14.089 4.980 8.580 486 H TYR 71 H TYR 71 -9.831 8.728 8.720 487 HA TYR 71 HA TYR 71 -8.612 7.350 11.018 488 HB2 TYR 71 2HB TYR 71 -7.227 9.377 9.251 489 HB3 TYR 71 3HB TYR 71 -6.530 8.562 10.646 490 HD1 TYR 71 HD2 TYR 71 -7.837 8.007 7.222 491 HD2 TYR 71 HD1 TYR 71 -5.528 6.437 10.433 492 HE1 TYR 71 HE2 TYR 71 -7.046 6.194 5.760 493 HE2 TYR 71 HE1 TYR 71 -4.730 4.621 8.979 494 HH TYR 71 HH TYR 71 -5.493 4.546 5.546 495 H ALA 72 H ALA 72 -8.701 8.410 12.914 496 HA ALA 72 HA ALA 72 -9.684 11.190 12.875 497 HB1 ALA 72 1HB ALA 72 -10.902 10.734 14.922 498 HB2 ALA 72 2HB ALA 72 -11.389 9.603 13.659 499 HB3 ALA 72 3HB ALA 72 -10.296 9.078 14.939 500 H ALA 73 H ALA 73 -8.199 12.568 13.572 501 HA ALA 73 HA ALA 73 -6.189 11.637 15.507 502 HB1 ALA 73 1HB ALA 73 -5.704 14.224 14.239 503 HB2 ALA 73 2HB ALA 73 -4.641 12.826 14.414 504 HB3 ALA 73 3HB ALA 73 -5.816 12.882 13.100 505 H PHE 74 H PHE 74 -6.747 12.121 17.529 506 HA PHE 74 HA PHE 74 -7.965 14.751 18.054 507 HB2 PHE 74 2HB PHE 74 -9.057 13.817 19.965 508 HB3 PHE 74 3HB PHE 74 -9.340 12.715 18.622 509 HD1 PHE 74 HD1 PHE 74 -7.531 13.214 21.772 510 HD2 PHE 74 HD2 PHE 74 -8.422 10.505 18.613 511 HE1 PHE 74 HE1 PHE 74 -6.623 11.360 23.111 512 HE2 PHE 74 HE2 PHE 74 -7.516 8.646 19.947 513 HZ PHE 74 HZ PHE 74 -6.616 9.073 22.199 514 H ASP 75 H ASP 75 -7.103 16.069 19.605 515 HA ASP 75 HA ASP 75 -4.395 15.413 20.461 516 HB2 ASP 75 2HB ASP 75 -5.035 17.631 19.381 517 HB3 ASP 75 3HB ASP 75 -5.848 18.022 20.894 518 H PHE 76 H PHE 76 -3.929 14.724 22.437 519 HA PHE 76 HA PHE 76 -5.848 15.268 24.605 520 HB2 PHE 76 2HB PHE 76 -5.179 12.761 23.541 521 HB3 PHE 76 3HB PHE 76 -4.300 12.867 25.063 522 HD1 PHE 76 HD1 PHE 76 -7.690 13.876 23.859 523 HD2 PHE 76 HD2 PHE 76 -5.377 11.853 26.805 524 HE1 PHE 76 HE1 PHE 76 -9.749 13.307 25.080 525 HE2 PHE 76 HE2 PHE 76 -7.433 11.280 28.030 526 HZ PHE 76 HZ PHE 76 -9.622 12.007 27.167 527 H GLU 77 H GLU 77 -4.732 14.765 26.814 528 HA GLU 77 HA GLU 77 -2.103 16.093 26.770 529 HB2 GLU 77 2HB GLU 77 -2.727 16.670 29.198 530 HB3 GLU 77 3HB GLU 77 -3.543 17.543 27.908 531 HG2 GLU 77 2HG GLU 77 -5.491 16.120 28.143 532 HG3 GLU 77 3HG GLU 77 -4.674 15.179 29.389 533 H TYR 78 H TYR 78 -0.458 15.341 28.113 534 HA TYR 78 HA TYR 78 -0.906 12.922 29.667 535 HB2 TYR 78 2HB TYR 78 -0.076 12.649 27.065 536 HB3 TYR 78 3HB TYR 78 1.453 12.672 27.938 537 HD1 TYR 78 HD2 TYR 78 -1.897 11.027 28.014 538 HD2 TYR 78 HD1 TYR 78 2.262 10.700 28.849 539 HE1 TYR 78 HE2 TYR 78 -2.209 8.662 28.611 540 HE2 TYR 78 HE1 TYR 78 1.962 8.333 29.447 541 HH TYR 78 HH TYR 78 -0.950 6.961 30.114 542 H THR 79 H THR 79 1.078 12.286 30.884 543 HA THR 79 HA THR 79 2.720 14.654 31.506 544 HB THR 79 HB THR 79 1.210 14.225 33.350 545 HG1 THR 79 HG1 THR 79 2.919 13.630 34.961 546 HG21 THR 79 3HG2 THR 79 1.906 11.447 32.786 547 HG22 THR 79 1HG2 THR 79 0.487 12.115 33.591 548 HG23 THR 79 2HG2 THR 79 1.972 11.845 34.503 549 H THR 80 H THR 80 3.677 13.074 29.567 550 HA THR 80 HA THR 80 5.321 10.947 30.574 551 HB THR 80 HB THR 80 4.512 10.846 28.280 552 HG1 THR 80 HG1 THR 80 6.340 9.746 28.212 553 HG21 THR 80 3HG2 THR 80 6.364 12.968 27.352 554 HG22 THR 80 1HG2 THR 80 4.865 13.490 28.121 555 HG23 THR 80 2HG2 THR 80 4.811 12.454 26.694 556 H ASN 81 H ASN 81 5.838 14.304 29.588 557 HA ASN 81 HA ASN 81 8.676 14.188 30.035 558 HB2 ASN 81 2HB ASN 81 7.806 15.713 28.358 559 HB3 ASN 81 3HB ASN 81 6.816 16.528 29.566 560 HD21 ASN 81 1HD2 ASN 81 10.147 15.801 28.671 561 HD22 ASN 81 2HD2 ASN 81 10.834 17.225 29.367 562 H ASP 82 H ASP 82 5.847 15.264 31.817 563 HA ASP 82 HA ASP 82 6.966 14.937 34.334 564 HB2 ASP 82 2HB ASP 82 7.820 17.367 33.066 565 HB3 ASP 82 3HB ASP 82 6.813 17.759 34.457 566 H GLY 83 H GLY 83 4.804 17.002 32.432 567 HA2 GLY 83 2HA GLY 83 2.495 16.093 33.809 568 HA3 GLY 83 3HA GLY 83 2.965 17.680 34.399 569 HA PRO 84 HA PRO 84 0.844 19.612 31.092 570 HB2 PRO 84 2HB PRO 84 2.443 21.735 30.539 571 HB3 PRO 84 3HB PRO 84 1.459 21.630 32.004 572 HG2 PRO 84 2HG PRO 84 4.374 21.057 31.635 573 HG3 PRO 84 3HG PRO 84 3.562 21.928 32.949 574 HD2 PRO 84 2HD PRO 84 4.359 19.350 33.183 575 HD3 PRO 84 3HD PRO 84 2.922 19.984 34.010 576 H ARG 85 H ARG 85 1.523 17.601 29.794 577 HA ARG 85 HA ARG 85 3.243 18.445 27.554 578 HB2 ARG 85 2HB ARG 85 3.807 16.371 29.159 579 HB3 ARG 85 3HB ARG 85 2.755 15.553 28.011 580 HG2 ARG 85 2HG ARG 85 5.050 15.312 27.331 581 HG3 ARG 85 3HG ARG 85 4.195 16.332 26.173 582 HD2 ARG 85 2HD ARG 85 5.499 17.750 28.400 583 HD3 ARG 85 3HD ARG 85 6.588 16.949 27.269 584 HE ARG 85 HE ARG 85 4.686 18.411 25.816 585 HH11 ARG 85 1HH1 ARG 85 7.405 18.920 27.929 586 HH12 ARG 85 2HH1 ARG 85 7.831 20.446 27.227 587 HH21 ARG 85 1HH2 ARG 85 5.236 20.418 24.884 588 HH22 ARG 85 2HH2 ARG 85 6.596 21.297 25.495 589 H ASP 86 H ASP 86 2.587 17.892 25.452 590 HA ASP 86 HA ASP 86 -0.272 17.217 25.224 591 HB2 ASP 86 2HB ASP 86 1.479 18.989 23.518 592 HB3 ASP 86 3HB ASP 86 -0.114 18.439 23.003 593 H LYS 87 H LYS 87 -0.879 15.546 23.970 594 HA LYS 87 HA LYS 87 1.023 14.380 22.087 595 HB2 LYS 87 2HB LYS 87 0.644 13.303 24.649 596 HB3 LYS 87 3HB LYS 87 -0.286 12.271 23.571 597 HG2 LYS 87 2HG LYS 87 1.891 11.342 23.771 598 HG3 LYS 87 3HG LYS 87 1.753 12.036 22.154 599 HD2 LYS 87 2HD LYS 87 2.751 13.961 24.081 600 HD3 LYS 87 3HD LYS 87 3.768 12.520 24.000 601 HE2 LYS 87 2HE LYS 87 4.282 12.851 21.768 602 HE3 LYS 87 3HE LYS 87 2.853 13.843 21.481 603 HZ1 LYS 87 3HZ LYS 87 4.744 14.923 23.391 604 HZ2 LYS 87 1HZ LYS 87 3.904 15.695 22.141 605 HZ3 LYS 87 2HZ LYS 87 5.314 14.824 21.801 606 H LEU 88 H LEU 88 0.014 14.009 20.233 607 HA LEU 88 HA LEU 88 -2.907 13.796 20.229 608 HB2 LEU 88 2HB LEU 88 -0.912 14.417 18.064 609 HB3 LEU 88 3HB LEU 88 -2.625 14.151 17.749 610 HG LEU 88 HG LEU 88 -2.694 16.098 19.671 611 HD11 LEU 88 1HD1 LEU 88 -0.144 16.185 19.343 612 HD12 LEU 88 2HD1 LEU 88 -1.047 17.700 19.321 613 HD13 LEU 88 3HD1 LEU 88 -0.516 16.968 17.807 614 HD21 LEU 88 3HD2 LEU 88 -3.592 17.427 18.009 615 HD22 LEU 88 1HD2 LEU 88 -3.800 15.809 17.338 616 HD23 LEU 88 2HD2 LEU 88 -2.474 16.831 16.781 617 H ILE 89 H ILE 89 -3.979 12.040 19.468 618 HA ILE 89 HA ILE 89 -2.334 9.761 18.576 619 HB ILE 89 HB ILE 89 -4.949 9.559 20.067 620 HG12 ILE 89 2HG1 ILE 89 -2.998 8.585 21.746 621 HG13 ILE 89 3HG1 ILE 89 -2.212 9.987 21.028 622 HG21 ILE 89 1HG2 ILE 89 -4.056 7.205 20.442 623 HG22 ILE 89 2HG2 ILE 89 -4.615 7.599 18.817 624 HG23 ILE 89 3HG2 ILE 89 -2.888 7.567 19.172 625 HD11 ILE 89 3HD1 ILE 89 -4.662 9.864 22.728 626 HD12 ILE 89 1HD1 ILE 89 -3.211 10.846 22.924 627 HD13 ILE 89 2HD1 ILE 89 -4.375 11.235 21.657 628 H LEU 90 H LEU 90 -3.180 8.406 16.969 629 HA LEU 90 HA LEU 90 -5.516 9.474 15.527 630 HB2 LEU 90 2HB LEU 90 -3.469 10.046 14.344 631 HB3 LEU 90 3HB LEU 90 -2.973 8.355 14.355 632 HG LEU 90 HG LEU 90 -5.288 8.092 13.055 633 HD11 LEU 90 1HD1 LEU 90 -6.116 10.216 12.865 634 HD12 LEU 90 2HD1 LEU 90 -5.170 10.112 11.380 635 HD13 LEU 90 3HD1 LEU 90 -4.516 10.953 12.785 636 HD21 LEU 90 3HD2 LEU 90 -2.504 8.335 12.339 637 HD22 LEU 90 1HD2 LEU 90 -3.548 8.890 11.031 638 HD23 LEU 90 2HD2 LEU 90 -3.745 7.264 11.685 639 H ILE 91 H ILE 91 -7.115 8.056 15.425 640 HA ILE 91 HA ILE 91 -6.475 5.189 15.612 641 HB ILE 91 HB ILE 91 -9.059 6.607 16.271 642 HG12 ILE 91 2HG1 ILE 91 -7.416 5.093 18.255 643 HG13 ILE 91 3HG1 ILE 91 -6.900 6.713 17.799 644 HG21 ILE 91 1HG2 ILE 91 -9.862 4.562 15.691 645 HG22 ILE 91 2HG2 ILE 91 -8.331 3.748 16.006 646 HG23 ILE 91 3HG2 ILE 91 -9.384 4.197 17.348 647 HD11 ILE 91 3HD1 ILE 91 -8.267 6.704 19.824 648 HD12 ILE 91 1HD1 ILE 91 -9.025 7.617 18.520 649 HD13 ILE 91 2HD1 ILE 91 -9.601 5.997 18.913 650 H SER 92 H SER 92 -6.818 3.949 13.894 651 HA SER 92 HA SER 92 -8.473 5.018 11.708 652 HB2 SER 92 2HB SER 92 -6.631 2.733 11.224 653 HB3 SER 92 3HB SER 92 -7.030 4.100 10.183 654 HG SER 92 HG SER 92 -4.846 4.043 11.150 655 H TRP 93 H TRP 93 -10.131 3.844 10.874 656 HA TRP 93 HA TRP 93 -10.926 1.474 12.393 657 HB2 TRP 93 2HB TRP 93 -12.331 3.670 11.141 658 HB3 TRP 93 3HB TRP 93 -12.960 2.125 10.573 659 HD1 TRP 93 HD1 TRP 93 -14.503 0.797 12.189 660 HE1 TRP 93 HE1 TRP 93 -15.390 1.204 14.571 661 HE3 TRP 93 HE3 TRP 93 -11.568 4.779 13.479 662 HZ2 TRP 93 HZ2 TRP 93 -14.910 2.979 16.712 663 HZ3 TRP 93 HZ3 TRP 93 -11.845 5.774 15.712 664 HH2 TRP 93 HH2 TRP 93 -13.482 4.891 17.294 665 H ASN 94 H ASN 94 -10.405 -0.445 11.594 666 HA ASN 94 HA ASN 94 -10.873 -1.025 8.792 667 HB2 ASN 94 2HB ASN 94 -8.527 -0.195 8.870 668 HB3 ASN 94 3HB ASN 94 -8.140 -1.485 10.006 669 HD21 ASN 94 1HD2 ASN 94 -6.565 -2.139 8.436 670 HD22 ASN 94 2HD2 ASN 94 -7.045 -3.103 7.085 671 HA PRO 95 HA PRO 95 -12.005 -4.447 11.680 672 HB2 PRO 95 2HB PRO 95 -14.369 -4.986 10.460 673 HB3 PRO 95 3HB PRO 95 -14.192 -3.745 11.706 674 HG2 PRO 95 2HG PRO 95 -14.268 -3.442 8.729 675 HG3 PRO 95 3HG PRO 95 -15.060 -2.459 9.974 676 HD2 PRO 95 2HD PRO 95 -12.772 -1.689 8.747 677 HD3 PRO 95 3HD PRO 95 -13.141 -1.266 10.431 678 H ASP 96 H ASP 96 -11.341 -6.467 11.308 679 HA ASP 96 HA ASP 96 -10.303 -7.317 8.858 680 HB2 ASP 96 2HB ASP 96 -9.969 -9.443 9.880 681 HB3 ASP 96 3HB ASP 96 -9.767 -8.242 11.152 682 H SER 97 H SER 97 -13.529 -7.321 10.039 683 HA SER 97 HA SER 97 -14.386 -9.173 7.926 684 HB2 SER 97 2HB SER 97 -15.475 -8.413 10.579 685 HB3 SER 97 3HB SER 97 -16.658 -8.720 9.307 686 HG SER 97 HG SER 97 -14.570 -10.547 9.636 687 H GLY 98 H GLY 98 -13.676 -6.136 7.917 688 HA2 GLY 98 2HA GLY 98 -16.085 -4.795 7.200 689 HA3 GLY 98 3HA GLY 98 -14.451 -4.220 6.905 690 H ALA 99 H ALA 99 -13.632 -4.326 4.889 691 HA ALA 99 HA ALA 99 -14.907 -6.043 2.904 692 HB1 ALA 99 1HB ALA 99 -14.805 -3.906 1.359 693 HB2 ALA 99 2HB ALA 99 -16.210 -4.247 2.369 694 HB3 ALA 99 3HB ALA 99 -15.007 -3.073 2.901 695 HA PRO 100 HA PRO 100 -10.856 -6.499 1.280 696 HB2 PRO 100 2HB PRO 100 -11.320 -6.695 -1.388 697 HB3 PRO 100 3HB PRO 100 -11.738 -7.975 -0.244 698 HG2 PRO 100 2HG PRO 100 -13.491 -5.876 -1.461 699 HG3 PRO 100 3HG PRO 100 -13.819 -7.601 -1.211 700 HD2 PRO 100 2HD PRO 100 -14.783 -5.681 0.437 701 HD3 PRO 100 3HD PRO 100 -14.356 -7.306 1.011 702 H ARG 101 H ARG 101 -12.833 -4.076 -0.397 703 HA ARG 101 HA ARG 101 -10.659 -2.722 -1.613 704 HB2 ARG 101 2HB ARG 101 -13.553 -2.243 -1.239 705 HB3 ARG 101 3HB ARG 101 -12.566 -0.806 -1.470 706 HG2 ARG 101 2HG ARG 101 -11.604 -2.104 -3.499 707 HG3 ARG 101 3HG ARG 101 -13.069 -3.075 -3.342 708 HD2 ARG 101 2HD ARG 101 -13.737 -0.298 -3.165 709 HD3 ARG 101 3HD ARG 101 -12.764 -0.576 -4.609 710 HE ARG 101 HE ARG 101 -14.656 -2.564 -4.614 711 HH11 ARG 101 1HH1 ARG 101 -14.679 0.917 -4.591 712 HH12 ARG 101 2HH1 ARG 101 -16.176 1.043 -5.454 713 HH21 ARG 101 1HH2 ARG 101 -16.628 -2.412 -5.751 714 HH22 ARG 101 2HH2 ARG 101 -17.284 -0.851 -6.112 715 H THR 102 H THR 102 -12.500 -2.150 1.363 716 HA THR 102 HA THR 102 -11.106 0.215 2.091 717 HB THR 102 HB THR 102 -13.306 -0.243 3.019 718 HG1 THR 102 HG1 THR 102 -12.534 -0.155 5.382 719 HG21 THR 102 3HG2 THR 102 -13.036 -2.723 3.126 720 HG22 THR 102 1HG2 THR 102 -13.723 -2.017 4.588 721 HG23 THR 102 2HG2 THR 102 -12.029 -2.505 4.557 722 H LYS 103 H LYS 103 -10.696 -3.201 2.885 723 HA LYS 103 HA LYS 103 -8.774 -2.956 4.893 724 HB2 LYS 103 2HB LYS 103 -9.588 -5.084 2.988 725 HB3 LYS 103 3HB LYS 103 -8.018 -5.269 3.759 726 HG2 LYS 103 2HG LYS 103 -9.164 -4.982 5.964 727 HG3 LYS 103 3HG LYS 103 -10.701 -5.045 5.100 728 HD2 LYS 103 2HD LYS 103 -10.413 -7.246 5.761 729 HD3 LYS 103 3HD LYS 103 -9.766 -7.260 4.118 730 HE2 LYS 103 2HE LYS 103 -7.730 -6.551 6.040 731 HE3 LYS 103 3HE LYS 103 -8.479 -8.094 6.448 732 HZ1 LYS 103 3HZ LYS 103 -7.798 -9.044 4.477 733 HZ2 LYS 103 1HZ LYS 103 -6.480 -8.051 4.848 734 HZ3 LYS 103 2HZ LYS 103 -7.607 -7.561 3.686 735 H MET 104 H MET 104 -8.341 -3.304 1.380 736 HA MET 104 HA MET 104 -5.499 -3.133 1.497 737 HB2 MET 104 2HB MET 104 -7.523 -3.519 -0.524 738 HB3 MET 104 3HB MET 104 -6.325 -2.355 -1.073 739 HG2 MET 104 2HG MET 104 -5.445 -4.348 -1.805 740 HG3 MET 104 3HG MET 104 -4.605 -4.109 -0.274 741 HE1 MET 104 3HE MET 104 -3.814 -6.291 -0.235 742 HE2 MET 104 1HE MET 104 -4.448 -6.451 1.403 743 HE3 MET 104 2HE MET 104 -4.699 -7.744 0.232 744 H LEU 105 H LEU 105 -8.096 -0.819 0.911 745 HA LEU 105 HA LEU 105 -6.613 1.358 0.038 746 HB2 LEU 105 2HB LEU 105 -9.241 0.896 1.172 747 HB3 LEU 105 3HB LEU 105 -8.574 2.450 1.669 748 HG LEU 105 HG LEU 105 -8.296 3.075 -0.686 749 HD11 LEU 105 1HD1 LEU 105 -8.496 0.344 -1.152 750 HD12 LEU 105 2HD1 LEU 105 -8.418 1.623 -2.362 751 HD13 LEU 105 3HD1 LEU 105 -9.983 1.022 -1.816 752 HD21 LEU 105 3HD2 LEU 105 -10.960 2.658 -1.147 753 HD22 LEU 105 1HD2 LEU 105 -10.283 3.975 -0.190 754 HD23 LEU 105 2HD2 LEU 105 -10.854 2.510 0.608 755 H TYR 106 H TYR 106 -7.136 0.146 3.296 756 HA TYR 106 HA TYR 106 -6.155 2.322 4.747 757 HB2 TYR 106 2HB TYR 106 -7.293 0.566 5.907 758 HB3 TYR 106 3HB TYR 106 -6.136 -0.637 5.348 759 HD1 TYR 106 HD2 TYR 106 -6.435 2.397 7.479 760 HD2 TYR 106 HD1 TYR 106 -4.259 -1.162 6.642 761 HE1 TYR 106 HE2 TYR 106 -5.109 2.735 9.522 762 HE2 TYR 106 HE1 TYR 106 -2.927 -0.835 8.684 763 HH TYR 106 HH TYR 106 -2.528 0.468 10.433 764 H SER 107 H SER 107 -4.469 -0.441 3.319 765 HA SER 107 HA SER 107 -1.903 0.338 4.328 766 HB2 SER 107 2HB SER 107 -2.920 -1.994 3.321 767 HB3 SER 107 3HB SER 107 -1.948 -1.420 1.966 768 HG SER 107 HG SER 107 -0.779 -2.732 3.488 769 H SER 108 H SER 108 -3.642 0.717 1.286 770 HA SER 108 HA SER 108 -1.482 1.789 -0.197 771 HB2 SER 108 2HB SER 108 -4.385 1.465 -0.559 772 HB3 SER 108 3HB SER 108 -3.699 2.855 -1.399 773 HG SER 108 HG SER 108 -2.100 1.322 -2.229 774 H SER 109 H SER 109 -3.643 3.129 2.137 775 HA SER 109 HA SER 109 -2.842 5.862 1.431 776 HB2 SER 109 2HB SER 109 -4.877 5.108 3.525 777 HB3 SER 109 3HB SER 109 -4.702 6.641 2.670 778 HG SER 109 HG SER 109 -6.027 4.366 1.931 779 H ARG 110 H ARG 110 -2.281 3.365 3.704 780 HA ARG 110 HA ARG 110 -1.527 4.870 5.958 781 HB2 ARG 110 2HB ARG 110 -1.353 2.106 5.079 782 HB3 ARG 110 3HB ARG 110 0.079 2.593 5.978 783 HG2 ARG 110 2HG ARG 110 -1.912 3.595 7.539 784 HG3 ARG 110 3HG ARG 110 -2.657 2.130 6.898 785 HD2 ARG 110 2HD ARG 110 0.060 2.221 8.199 786 HD3 ARG 110 3HD ARG 110 -1.429 1.812 9.049 787 HE ARG 110 HE ARG 110 -1.238 0.144 6.826 788 HH11 ARG 110 1HH1 ARG 110 0.457 0.741 9.808 789 HH12 ARG 110 2HH1 ARG 110 1.030 -0.887 9.960 790 HH21 ARG 110 1HH2 ARG 110 -0.490 -2.002 7.015 791 HH22 ARG 110 2HH2 ARG 110 0.491 -2.446 8.370 792 H ASP 111 H ASP 111 0.276 3.793 3.123 793 HA ASP 111 HA ASP 111 2.836 4.572 4.021 794 HB2 ASP 111 2HB ASP 111 1.771 3.347 1.739 795 HB3 ASP 111 3HB ASP 111 2.541 4.819 1.152 796 H ALA 112 H ALA 112 0.290 6.281 2.287 797 HA ALA 112 HA ALA 112 1.891 8.638 1.871 798 HB1 ALA 112 1HB ALA 112 0.007 9.565 0.803 799 HB2 ALA 112 2HB ALA 112 -0.004 7.852 0.382 800 HB3 ALA 112 3HB ALA 112 -1.099 8.462 1.623 801 H LEU 113 H LEU 113 -0.322 7.461 4.282 802 HA LEU 113 HA LEU 113 -0.680 10.044 5.528 803 HB2 LEU 113 2HB LEU 113 -1.705 7.308 5.915 804 HB3 LEU 113 3HB LEU 113 -1.565 8.285 7.375 805 HG LEU 113 HG LEU 113 -2.959 9.479 5.036 806 HD11 LEU 113 1HD1 LEU 113 -4.749 8.139 5.037 807 HD12 LEU 113 2HD1 LEU 113 -4.713 7.929 6.787 808 HD13 LEU 113 3HD1 LEU 113 -3.671 6.945 5.760 809 HD21 LEU 113 3HD2 LEU 113 -2.842 9.777 7.963 810 HD22 LEU 113 1HD2 LEU 113 -4.437 9.982 7.238 811 HD23 LEU 113 2HD2 LEU 113 -3.090 10.987 6.703 812 H VAL 114 H VAL 114 1.517 7.406 5.735 813 HA VAL 114 HA VAL 114 2.408 7.515 8.351 814 HB VAL 114 HB VAL 114 3.691 6.776 5.770 815 HG11 VAL 114 1HG1 VAL 114 5.776 6.196 7.155 816 HG12 VAL 114 2HG1 VAL 114 5.559 7.870 6.641 817 HG13 VAL 114 3HG1 VAL 114 5.178 7.399 8.298 818 HG21 VAL 114 3HG2 VAL 114 2.316 5.425 7.718 819 HG22 VAL 114 1HG2 VAL 114 3.368 4.688 6.510 820 HG23 VAL 114 2HG2 VAL 114 3.996 5.061 8.115 821 HA PRO 115 HA PRO 115 5.548 10.965 7.059 822 HB2 PRO 115 2HB PRO 115 5.106 12.204 4.684 823 HB3 PRO 115 3HB PRO 115 6.117 10.762 4.843 824 HG2 PRO 115 2HG PRO 115 3.267 10.990 3.955 825 HG3 PRO 115 3HG PRO 115 4.576 10.007 3.273 826 HD2 PRO 115 2HD PRO 115 2.681 8.976 4.910 827 HD3 PRO 115 3HD PRO 115 4.348 8.365 4.875 828 H LEU 116 H LEU 116 2.200 11.336 6.008 829 HA LEU 116 HA LEU 116 1.996 14.116 6.481 830 HB2 LEU 116 2HB LEU 116 0.353 12.092 5.490 831 HB3 LEU 116 3HB LEU 116 -0.486 12.704 6.915 832 HG LEU 116 HG LEU 116 -1.237 13.796 4.852 833 HD11 LEU 116 1HD1 LEU 116 -0.302 15.078 7.225 834 HD12 LEU 116 2HD1 LEU 116 -1.677 15.494 6.203 835 HD13 LEU 116 3HD1 LEU 116 -0.084 16.162 5.851 836 HD21 LEU 116 3HD2 LEU 116 0.946 13.612 3.664 837 HD22 LEU 116 1HD2 LEU 116 1.550 14.928 4.670 838 HD23 LEU 116 2HD2 LEU 116 0.204 15.209 3.565 839 H THR 117 H THR 117 1.111 11.299 8.460 840 HA THR 117 HA THR 117 0.869 13.097 10.780 841 HB THR 117 HB THR 117 -0.370 11.157 11.841 842 HG1 THR 117 HG1 THR 117 -1.300 9.717 10.176 843 HG21 THR 117 3HG2 THR 117 -1.362 13.226 10.620 844 HG22 THR 117 1HG2 THR 117 -2.419 11.871 11.012 845 HG23 THR 117 2HG2 THR 117 -1.803 12.062 9.371 846 H GLN 118 H GLN 118 3.366 12.820 10.496 847 HA GLN 118 HA GLN 118 4.405 10.355 11.606 848 HB2 GLN 118 2HB GLN 118 6.604 11.398 11.311 849 HB3 GLN 118 3HB GLN 118 5.652 11.485 9.835 850 HG2 GLN 118 2HG GLN 118 5.037 13.821 10.468 851 HG3 GLN 118 3HG GLN 118 6.194 13.701 11.792 852 HE21 GLN 118 1HE2 GLN 118 8.404 13.550 11.316 853 HE22 GLN 118 2HE2 GLN 118 9.034 14.040 9.783 854 H GLY 119 H GLY 119 4.647 9.981 13.705 855 HA2 GLY 119 2HA GLY 119 5.659 10.735 15.806 856 HA3 GLY 119 3HA GLY 119 4.923 12.303 15.511 857 H PHE 120 H PHE 120 2.360 11.444 14.733 858 HA PHE 120 HA PHE 120 1.182 11.045 17.293 859 HB2 PHE 120 2HB PHE 120 -0.224 10.787 14.635 860 HB3 PHE 120 3HB PHE 120 -0.922 11.240 16.187 861 HD1 PHE 120 HD1 PHE 120 0.944 13.259 17.156 862 HD2 PHE 120 HD2 PHE 120 -0.562 12.589 13.232 863 HE1 PHE 120 HE1 PHE 120 1.294 15.635 16.619 864 HE2 PHE 120 HE2 PHE 120 -0.214 14.963 12.689 865 HZ PHE 120 HZ PHE 120 0.716 16.489 14.383 866 H GLN 121 H GLN 121 0.381 9.248 18.234 867 HA GLN 121 HA GLN 121 1.260 6.712 17.377 868 HB2 GLN 121 2HB GLN 121 -0.593 7.686 19.514 869 HB3 GLN 121 3HB GLN 121 -0.527 5.966 19.154 870 HG2 GLN 121 2HG GLN 121 0.952 6.806 21.027 871 HG3 GLN 121 3HG GLN 121 1.714 5.798 19.797 872 HE21 GLN 121 1HE2 GLN 121 1.151 9.167 20.702 873 HE22 GLN 121 2HE2 GLN 121 2.638 9.772 20.066 874 H GLY 122 H GLY 122 0.544 6.143 15.361 875 HA2 GLY 122 2HA GLY 122 -2.319 6.225 14.792 876 HA3 GLY 122 3HA GLY 122 -1.042 5.846 13.646 877 H ILE 123 H ILE 123 -3.549 4.578 15.400 878 HA ILE 123 HA ILE 123 -2.501 1.854 15.037 879 HB ILE 123 HB ILE 123 -4.263 2.659 17.348 880 HG12 ILE 123 2HG1 ILE 123 -1.923 1.970 18.512 881 HG13 ILE 123 3HG1 ILE 123 -1.318 2.696 17.028 882 HG21 ILE 123 1HG2 ILE 123 -4.567 0.374 16.859 883 HG22 ILE 123 2HG2 ILE 123 -2.845 0.125 16.577 884 HG23 ILE 123 3HG2 ILE 123 -3.437 0.422 18.212 885 HD11 ILE 123 3HD1 ILE 123 -3.269 4.451 17.992 886 HD12 ILE 123 1HD1 ILE 123 -2.320 3.956 19.394 887 HD13 ILE 123 2HD1 ILE 123 -1.519 4.672 17.994 888 H GLN 124 H GLN 124 -3.895 0.393 14.171 889 HA GLN 124 HA GLN 124 -6.525 1.427 13.366 890 HB2 GLN 124 2HB GLN 124 -6.409 -0.489 11.687 891 HB3 GLN 124 3HB GLN 124 -5.301 0.854 11.436 892 HG2 GLN 124 2HG GLN 124 -3.453 -0.376 12.057 893 HG3 GLN 124 3HG GLN 124 -4.407 -1.537 12.978 894 HE21 GLN 124 1HE2 GLN 124 -2.509 -2.412 11.240 895 HE22 GLN 124 2HE2 GLN 124 -3.256 -3.161 9.874 896 H ALA 125 H ALA 125 -8.192 0.721 14.506 897 HA ALA 125 HA ALA 125 -8.386 -2.099 15.194 898 HB1 ALA 125 1HB ALA 125 -8.123 0.087 17.196 899 HB2 ALA 125 2HB ALA 125 -9.195 -1.267 17.554 900 HB3 ALA 125 3HB ALA 125 -7.486 -1.557 17.228 901 H ASN 126 H ASN 126 -10.416 -2.838 14.990 902 HA ASN 126 HA ASN 126 -12.522 -0.869 14.453 903 HB2 ASN 126 2HB ASN 126 -13.586 -2.468 13.125 904 HB3 ASN 126 3HB ASN 126 -11.881 -2.791 12.829 905 HD21 ASN 126 1HD2 ASN 126 -14.835 -4.047 13.887 906 HD22 ASN 126 2HD2 ASN 126 -14.271 -5.598 14.400 907 H ASP 127 H ASP 127 -14.659 -1.209 15.307 908 HA ASP 127 HA ASP 127 -16.155 -1.593 16.977 909 HB2 ASP 127 2HB ASP 127 -15.129 -4.050 16.410 910 HB3 ASP 127 3HB ASP 127 -14.744 -3.915 18.123 911 H ALA 128 H ALA 128 -15.822 -2.616 19.562 912 HA ALA 128 HA ALA 128 -14.963 -0.411 20.987 913 HB1 ALA 128 1HB ALA 128 -14.561 -2.706 22.616 914 HB2 ALA 128 2HB ALA 128 -15.906 -1.565 22.628 915 HB3 ALA 128 3HB ALA 128 -15.968 -2.990 21.591 916 H SER 129 H SER 129 -13.107 -3.024 19.668 917 HA SER 129 HA SER 129 -10.820 -2.897 21.271 918 HB2 SER 129 2HB SER 129 -11.573 -4.421 19.152 919 HB3 SER 129 3HB SER 129 -10.367 -3.383 18.391 920 HG SER 129 HG SER 129 -9.643 -5.427 19.451 921 H GLY 130 H GLY 130 -12.038 -0.698 18.929 922 HA2 GLY 130 2HA GLY 130 -9.444 0.656 18.688 923 HA3 GLY 130 3HA GLY 130 -10.863 0.967 17.698 924 H LEU 131 H LEU 131 -11.419 0.676 21.065 925 HA LEU 131 HA LEU 131 -11.349 3.592 21.406 926 HB2 LEU 131 2HB LEU 131 -13.596 1.971 22.532 927 HB3 LEU 131 3HB LEU 131 -13.512 3.709 22.250 928 HG LEU 131 HG LEU 131 -13.671 1.663 20.042 929 HD11 LEU 131 1HD1 LEU 131 -15.994 2.026 19.908 930 HD12 LEU 131 2HD1 LEU 131 -15.934 3.355 21.065 931 HD13 LEU 131 3HD1 LEU 131 -15.659 1.700 21.608 932 HD21 LEU 131 3HD2 LEU 131 -13.262 3.393 18.717 933 HD22 LEU 131 1HD2 LEU 131 -13.147 4.465 20.113 934 HD23 LEU 131 2HD2 LEU 131 -14.707 4.193 19.336 935 H ASP 132 H ASP 132 -9.757 1.178 22.336 936 HA ASP 132 HA ASP 132 -10.214 0.990 25.158 937 HB2 ASP 132 2HB ASP 132 -8.394 -0.195 23.194 938 HB3 ASP 132 3HB ASP 132 -7.634 0.106 24.754 939 H PHE 133 H PHE 133 -9.915 2.731 26.394 940 HA PHE 133 HA PHE 133 -8.238 4.895 25.815 941 HB2 PHE 133 2HB PHE 133 -9.978 4.083 27.968 942 HB3 PHE 133 3HB PHE 133 -8.503 4.793 28.615 943 HD1 PHE 133 HD2 PHE 133 -11.289 5.407 26.248 944 HD2 PHE 133 HD1 PHE 133 -8.202 7.104 28.637 945 HE1 PHE 133 HE2 PHE 133 -12.180 7.655 25.794 946 HE2 PHE 133 HE1 PHE 133 -9.089 9.355 28.188 947 HZ PHE 133 HZ PHE 133 -11.079 9.633 26.764 948 H GLU 134 H GLU 134 -7.683 1.963 27.687 949 HA GLU 134 HA GLU 134 -5.229 2.685 28.842 950 HB2 GLU 134 2HB GLU 134 -6.880 0.431 28.833 951 HB3 GLU 134 3HB GLU 134 -5.353 -0.132 28.167 952 HG2 GLU 134 2HG GLU 134 -4.172 0.396 30.102 953 HG3 GLU 134 3HG GLU 134 -5.440 1.469 30.694 954 H GLU 135 H GLU 135 -6.026 1.276 25.714 955 HA GLU 135 HA GLU 135 -3.373 0.674 24.933 956 HB2 GLU 135 2HB GLU 135 -5.441 -0.264 23.880 957 HB3 GLU 135 3HB GLU 135 -5.718 1.305 23.135 958 HG2 GLU 135 2HG GLU 135 -3.942 1.086 21.688 959 HG3 GLU 135 3HG GLU 135 -3.115 -0.086 22.713 960 H ILE 136 H ILE 136 -5.454 3.490 24.410 961 HA ILE 136 HA ILE 136 -3.699 4.913 22.731 962 HB ILE 136 HB ILE 136 -5.752 6.044 24.635 963 HG12 ILE 136 2HG1 ILE 136 -6.745 4.404 23.117 964 HG13 ILE 136 3HG1 ILE 136 -7.258 6.031 22.685 965 HG21 ILE 136 1HG2 ILE 136 -5.229 8.061 23.867 966 HG22 ILE 136 2HG2 ILE 136 -3.839 7.339 23.058 967 HG23 ILE 136 3HG2 ILE 136 -5.367 7.514 22.196 968 HD11 ILE 136 3HD1 ILE 136 -6.609 5.623 20.616 969 HD12 ILE 136 1HD1 ILE 136 -4.945 5.527 21.191 970 HD13 ILE 136 2HD1 ILE 136 -5.930 4.067 21.093 971 H SER 137 H SER 137 -4.188 5.042 26.248 972 HA SER 137 HA SER 137 -2.300 7.061 26.765 973 HB2 SER 137 2HB SER 137 -3.689 4.986 28.392 974 HB3 SER 137 3HB SER 137 -2.271 5.763 29.096 975 HG SER 137 HG SER 137 -4.245 6.866 29.567 976 H ARG 138 H ARG 138 -2.012 3.546 26.606 977 HA ARG 138 HA ARG 138 0.656 3.389 27.526 978 HB2 ARG 138 2HB ARG 138 -0.684 1.409 27.553 979 HB3 ARG 138 3HB ARG 138 -1.011 1.534 25.829 980 HG2 ARG 138 2HG ARG 138 0.608 -0.227 26.344 981 HG3 ARG 138 3HG ARG 138 1.300 1.032 25.320 982 HD2 ARG 138 2HD ARG 138 2.864 1.507 26.832 983 HD3 ARG 138 3HD ARG 138 1.666 1.642 28.118 984 HE ARG 138 HE ARG 138 2.171 -1.076 27.490 985 HH11 ARG 138 1HH1 ARG 138 3.538 1.676 29.126 986 HH12 ARG 138 2HH1 ARG 138 4.460 0.721 30.239 987 HH21 ARG 138 1HH2 ARG 138 3.380 -2.345 28.950 988 HH22 ARG 138 2HH2 ARG 138 4.370 -1.566 30.137 989 H LYS 139 H LYS 139 -0.766 3.843 24.342 990 HA LYS 139 HA LYS 139 1.624 3.496 22.856 991 HB2 LYS 139 2HB LYS 139 -1.028 3.794 22.228 992 HB3 LYS 139 3HB LYS 139 -0.362 5.341 21.722 993 HG2 LYS 139 2HG LYS 139 -0.202 4.045 19.813 994 HG3 LYS 139 3HG LYS 139 1.418 3.933 20.506 995 HD2 LYS 139 2HD LYS 139 0.974 1.763 21.387 996 HD3 LYS 139 3HD LYS 139 -0.745 1.895 21.007 997 HE2 LYS 139 2HE LYS 139 -0.276 0.830 19.106 998 HE3 LYS 139 3HE LYS 139 0.500 2.322 18.576 999 HZ1 LYS 139 3HZ LYS 139 2.385 1.065 20.110 1000 HZ2 LYS 139 1HZ LYS 139 2.350 1.131 18.420 1001 HZ3 LYS 139 2HZ LYS 139 1.676 -0.193 19.228 1002 H VAL 140 H VAL 140 -0.070 6.399 24.021 1003 HA VAL 140 HA VAL 140 1.835 8.240 23.015 1004 HB VAL 140 HB VAL 140 0.777 9.874 24.544 1005 HG11 VAL 140 1HG1 VAL 140 -1.277 8.191 23.119 1006 HG12 VAL 140 2HG1 VAL 140 -1.352 9.922 23.456 1007 HG13 VAL 140 3HG1 VAL 140 -0.170 9.296 22.305 1008 HG21 VAL 140 3HG2 VAL 140 -0.739 7.453 25.509 1009 HG22 VAL 140 1HG2 VAL 140 0.316 8.504 26.453 1010 HG23 VAL 140 2HG2 VAL 140 -1.219 9.118 25.839 1011 H LYS 141 H LYS 141 1.466 6.577 26.100 1012 HA LYS 141 HA LYS 141 3.389 8.001 27.564 1013 HB2 LYS 141 2HB LYS 141 1.740 6.434 28.552 1014 HB3 LYS 141 3HB LYS 141 2.626 5.088 27.846 1015 HG2 LYS 141 2HG LYS 141 4.348 5.255 29.337 1016 HG3 LYS 141 3HG LYS 141 4.095 6.982 29.605 1017 HD2 LYS 141 2HD LYS 141 3.147 6.346 31.535 1018 HD3 LYS 141 3HD LYS 141 1.759 5.909 30.537 1019 HE2 LYS 141 2HE LYS 141 3.902 3.889 30.757 1020 HE3 LYS 141 3HE LYS 141 2.980 4.207 32.226 1021 HZ1 LYS 141 3HZ LYS 141 1.889 2.471 31.083 1022 HZ2 LYS 141 1HZ LYS 141 1.944 3.291 29.605 1023 HZ3 LYS 141 2HZ LYS 141 0.940 3.851 30.845 1024 H SER 142 H SER 142 3.674 5.306 25.329 1025 HA SER 142 HA SER 142 6.509 4.991 25.878 1026 HB2 SER 142 2HB SER 142 5.124 3.000 25.428 1027 HB3 SER 142 3HB SER 142 4.757 3.624 23.820 1028 HG SER 142 HG SER 142 6.654 2.997 23.149 1029 H ASN 143 H ASN 143 4.433 6.563 23.592 1030 HA ASN 143 HA ASN 143 4.826 7.890 21.786 1031 HB2 ASN 143 2HB ASN 143 6.209 9.048 23.562 1032 HB3 ASN 143 3HB ASN 143 7.614 8.214 22.903 1033 HD21 ASN 143 1HD2 ASN 143 8.196 10.583 22.731 1034 HD22 ASN 143 2HD2 ASN 143 7.814 11.362 21.237 1035 H ARG 144 H ARG 144 5.508 5.003 21.671 1036 HA ARG 144 HA ARG 144 7.809 4.444 20.246 1037 HB2 ARG 144 2HB ARG 144 5.492 3.059 20.968 1038 HB3 ARG 144 3HB ARG 144 5.557 2.938 19.215 1039 HG2 ARG 144 2HG ARG 144 7.531 1.750 19.234 1040 HG3 ARG 144 3HG ARG 144 7.996 2.348 20.828 1041 HD2 ARG 144 2HD ARG 144 7.279 0.372 21.589 1042 HD3 ARG 144 3HD ARG 144 5.657 1.020 21.350 1043 HE ARG 144 HE ARG 144 6.669 -0.166 18.970 1044 HH11 ARG 144 1HH1 ARG 144 5.261 -0.903 22.068 1045 HH12 ARG 144 2HH1 ARG 144 4.580 -2.409 21.546 1046 HH21 ARG 144 1HH2 ARG 144 5.778 -2.146 18.272 1047 HH22 ARG 144 2HH2 ARG 144 4.876 -3.115 19.387 Start of MODEL 17 1 H MET 9 H MET 9 -7.039 -4.952 -5.883 2 HA MET 9 HA MET 9 -4.588 -4.866 -5.069 3 HB2 MET 9 2HB MET 9 -5.486 -5.871 -7.752 4 HB3 MET 9 3HB MET 9 -3.809 -6.037 -7.252 5 HG2 MET 9 2HG MET 9 -4.750 -7.147 -5.145 6 HG3 MET 9 3HG MET 9 -6.254 -7.276 -6.054 7 HE1 MET 9 3HE MET 9 -5.704 -9.351 -8.922 8 HE2 MET 9 1HE MET 9 -6.413 -10.097 -7.489 9 HE3 MET 9 2HE MET 9 -6.739 -8.403 -7.854 10 H ALA 10 H ALA 10 -2.731 -3.759 -5.247 11 HA ALA 10 HA ALA 10 -1.311 -2.063 -5.801 12 HB1 ALA 10 1HB ALA 10 -1.378 -1.869 -8.540 13 HB2 ALA 10 2HB ALA 10 -0.374 -2.980 -7.608 14 HB3 ALA 10 3HB ALA 10 -1.927 -3.520 -8.247 15 H MET 11 H MET 11 -2.631 -0.425 -4.857 16 HA MET 11 HA MET 11 -4.340 1.096 -6.674 17 HB2 MET 11 2HB MET 11 -3.892 1.307 -3.694 18 HB3 MET 11 3HB MET 11 -4.957 2.365 -4.609 19 HG2 MET 11 2HG MET 11 -5.359 -0.571 -4.812 20 HG3 MET 11 3HG MET 11 -5.869 0.255 -3.342 21 HE1 MET 11 3HE MET 11 -6.325 -0.531 -6.914 22 HE2 MET 11 1HE MET 11 -7.727 -1.236 -6.107 23 HE3 MET 11 2HE MET 11 -7.948 0.044 -7.301 24 H SER 12 H SER 12 -4.128 3.420 -6.824 25 HA SER 12 HA SER 12 -1.772 4.744 -5.902 26 HB2 SER 12 2HB SER 12 -0.596 3.627 -7.625 27 HB3 SER 12 3HB SER 12 -1.919 3.833 -8.773 28 HG SER 12 HG SER 12 -0.489 5.379 -9.323 29 H GLY 13 H GLY 13 -3.178 6.316 -5.173 30 HA2 GLY 13 2HA GLY 13 -3.768 8.448 -6.870 31 HA3 GLY 13 3HA GLY 13 -5.230 7.483 -6.730 32 H VAL 14 H VAL 14 -4.591 6.679 -3.969 33 HA VAL 14 HA VAL 14 -6.059 8.526 -2.551 34 HB VAL 14 HB VAL 14 -5.664 6.338 -1.636 35 HG11 VAL 14 1HG1 VAL 14 -3.672 5.359 -1.664 36 HG12 VAL 14 2HG1 VAL 14 -2.985 6.832 -2.351 37 HG13 VAL 14 3HG1 VAL 14 -3.011 6.602 -0.602 38 HG21 VAL 14 3HG2 VAL 14 -5.705 6.981 0.529 39 HG22 VAL 14 1HG2 VAL 14 -4.205 7.899 0.395 40 HG23 VAL 14 2HG2 VAL 14 -5.722 8.599 -0.172 41 H SER 15 H SER 15 -5.686 10.573 -2.051 42 HA SER 15 HA SER 15 -2.983 11.385 -1.261 43 HB2 SER 15 2HB SER 15 -4.528 12.384 -3.583 44 HB3 SER 15 3HB SER 15 -3.744 13.613 -2.591 45 HG SER 15 HG SER 15 -2.180 13.057 -3.968 46 H VAL 16 H VAL 16 -2.913 12.826 0.387 47 HA VAL 16 HA VAL 16 -5.343 13.319 1.834 48 HB VAL 16 HB VAL 16 -3.322 12.836 3.075 49 HG11 VAL 16 1HG1 VAL 16 -1.328 13.695 2.589 50 HG12 VAL 16 2HG1 VAL 16 -2.080 14.475 1.197 51 HG13 VAL 16 3HG1 VAL 16 -1.936 15.344 2.725 52 HG21 VAL 16 3HG2 VAL 16 -3.536 14.459 4.752 53 HG22 VAL 16 1HG2 VAL 16 -3.911 15.734 3.593 54 HG23 VAL 16 2HG2 VAL 16 -5.096 14.472 3.930 55 H ALA 17 H ALA 17 -6.593 15.072 1.785 56 HA ALA 17 HA ALA 17 -6.156 17.144 -0.099 57 HB1 ALA 17 1HB ALA 17 -8.145 18.205 1.097 58 HB2 ALA 17 2HB ALA 17 -8.399 16.629 0.344 59 HB3 ALA 17 3HB ALA 17 -8.172 16.746 2.089 60 H ASP 18 H ASP 18 -6.089 19.460 0.407 61 HA ASP 18 HA ASP 18 -3.927 20.093 2.102 62 HB2 ASP 18 2HB ASP 18 -5.820 21.599 0.392 63 HB3 ASP 18 3HB ASP 18 -5.055 22.514 1.689 64 H GLU 19 H GLU 19 -7.426 20.501 2.466 65 HA GLU 19 HA GLU 19 -7.437 21.954 4.843 66 HB2 GLU 19 2HB GLU 19 -9.715 21.268 5.108 67 HB3 GLU 19 3HB GLU 19 -9.420 21.484 3.389 68 HG2 GLU 19 2HG GLU 19 -9.211 19.090 3.094 69 HG3 GLU 19 3HG GLU 19 -9.419 18.840 4.826 70 H CYS 20 H CYS 20 -7.045 18.517 4.270 71 HA CYS 20 HA CYS 20 -7.331 17.722 6.991 72 HB2 CYS 20 2HB CYS 20 -7.697 16.094 5.252 73 HB3 CYS 20 3HB CYS 20 -6.078 16.345 4.611 74 HG CYS 20 HG CYS 20 -4.734 15.000 6.504 75 H VAL 21 H VAL 21 -4.582 18.527 4.926 76 HA VAL 21 HA VAL 21 -2.543 17.787 6.721 77 HB VAL 21 HB VAL 21 -2.473 19.933 4.595 78 HG11 VAL 21 1HG1 VAL 21 0.038 19.064 4.698 79 HG12 VAL 21 2HG1 VAL 21 -0.544 20.383 5.715 80 HG13 VAL 21 3HG1 VAL 21 -0.415 18.752 6.373 81 HG21 VAL 21 3HG2 VAL 21 -2.843 18.148 3.266 82 HG22 VAL 21 1HG2 VAL 21 -1.131 17.836 3.555 83 HG23 VAL 21 2HG2 VAL 21 -2.354 16.991 4.504 84 H THR 22 H THR 22 -4.047 20.952 6.093 85 HA THR 22 HA THR 22 -2.575 22.355 8.055 86 HB THR 22 HB THR 22 -5.335 23.229 7.307 87 HG1 THR 22 HG1 THR 22 -4.851 23.159 5.257 88 HG21 THR 22 3HG2 THR 22 -3.474 25.260 6.911 89 HG22 THR 22 1HG2 THR 22 -2.898 24.404 8.341 90 HG23 THR 22 2HG2 THR 22 -4.535 25.060 8.305 91 H ALA 23 H ALA 23 -5.785 20.845 8.111 92 HA ALA 23 HA ALA 23 -6.577 21.658 10.659 93 HB1 ALA 23 1HB ALA 23 -8.015 19.586 10.608 94 HB2 ALA 23 2HB ALA 23 -8.197 20.680 9.237 95 HB3 ALA 23 3HB ALA 23 -7.255 19.199 9.064 96 H LEU 24 H LEU 24 -4.705 18.824 9.647 97 HA LEU 24 HA LEU 24 -4.513 17.685 12.241 98 HB2 LEU 24 2HB LEU 24 -2.912 17.306 9.723 99 HB3 LEU 24 3HB LEU 24 -2.596 16.402 11.202 100 HG LEU 24 HG LEU 24 -5.252 16.354 9.783 101 HD11 LEU 24 1HD1 LEU 24 -2.921 14.465 9.493 102 HD12 LEU 24 2HD1 LEU 24 -3.571 15.528 8.246 103 HD13 LEU 24 3HD1 LEU 24 -4.544 14.191 8.860 104 HD21 LEU 24 3HD2 LEU 24 -4.696 13.989 11.199 105 HD22 LEU 24 1HD2 LEU 24 -5.892 15.227 11.582 106 HD23 LEU 24 2HD2 LEU 24 -4.269 15.327 12.267 107 H ASN 25 H ASN 25 -2.427 19.826 10.355 108 HA ASN 25 HA ASN 25 -0.198 19.841 12.030 109 HB2 ASN 25 2HB ASN 25 -1.279 21.576 9.909 110 HB3 ASN 25 3HB ASN 25 -0.220 22.392 11.056 111 HD21 ASN 25 1HD2 ASN 25 1.938 21.807 11.179 112 HD22 ASN 25 2HD2 ASN 25 2.708 20.861 9.955 113 H ASP 26 H ASP 26 -3.074 21.921 12.062 114 HA ASP 26 HA ASP 26 -2.221 23.446 14.316 115 HB2 ASP 26 2HB ASP 26 -5.034 23.106 13.260 116 HB3 ASP 26 3HB ASP 26 -4.439 24.413 14.279 117 H LEU 27 H LEU 27 -4.230 20.593 13.870 118 HA LEU 27 HA LEU 27 -5.335 20.441 16.437 119 HB2 LEU 27 2HB LEU 27 -6.166 19.086 14.631 120 HB3 LEU 27 3HB LEU 27 -4.614 18.265 14.482 121 HG LEU 27 HG LEU 27 -5.150 17.572 16.981 122 HD11 LEU 27 1HD1 LEU 27 -7.161 18.286 17.630 123 HD12 LEU 27 2HD1 LEU 27 -7.809 17.029 16.577 124 HD13 LEU 27 3HD1 LEU 27 -7.652 18.682 15.983 125 HD21 LEU 27 3HD2 LEU 27 -6.667 16.126 14.851 126 HD22 LEU 27 1HD2 LEU 27 -5.696 15.480 16.175 127 HD23 LEU 27 2HD2 LEU 27 -4.906 16.212 14.778 128 H ARG 28 H ARG 28 -2.227 19.383 15.178 129 HA ARG 28 HA ARG 28 -1.417 17.824 17.374 130 HB2 ARG 28 2HB ARG 28 0.637 17.707 16.350 131 HB3 ARG 28 3HB ARG 28 -0.366 18.175 14.984 132 HG2 ARG 28 2HG ARG 28 1.284 19.688 14.703 133 HG3 ARG 28 3HG ARG 28 0.307 20.604 15.852 134 HD2 ARG 28 2HD ARG 28 2.180 20.747 17.066 135 HD3 ARG 28 3HD ARG 28 1.865 19.067 17.497 136 HE ARG 28 HE ARG 28 3.300 19.155 15.080 137 HH11 ARG 28 1HH1 ARG 28 3.716 19.760 18.483 138 HH12 ARG 28 2HH1 ARG 28 5.410 19.397 18.474 139 HH21 ARG 28 1HH2 ARG 28 5.530 18.674 15.055 140 HH22 ARG 28 2HH2 ARG 28 6.441 18.780 16.524 141 H HIS 29 H HIS 29 -1.615 21.240 16.918 142 HA HIS 29 HA HIS 29 0.035 21.756 19.282 143 HB2 HIS 29 2HB HIS 29 0.004 23.075 16.941 144 HB3 HIS 29 3HB HIS 29 -1.225 23.999 17.800 145 HD1 HIS 29 HD1 HIS 29 -0.435 25.247 19.987 146 HD2 HIS 29 HD2 HIS 29 2.606 23.562 17.712 147 HE1 HIS 29 HE1 HIS 29 1.692 26.299 20.822 148 H LYS 30 H LYS 30 -2.772 20.605 19.192 149 HA LYS 30 HA LYS 30 -4.655 20.700 20.463 150 HB2 LYS 30 2HB LYS 30 -2.737 21.360 22.162 151 HB3 LYS 30 3HB LYS 30 -3.542 22.923 22.119 152 HG2 LYS 30 2HG LYS 30 -5.585 21.051 22.455 153 HG3 LYS 30 3HG LYS 30 -4.277 20.523 23.517 154 HD2 LYS 30 2HD LYS 30 -4.302 22.508 24.736 155 HD3 LYS 30 3HD LYS 30 -5.138 23.393 23.458 156 HE2 LYS 30 2HE LYS 30 -7.155 22.034 23.886 157 HE3 LYS 30 3HE LYS 30 -6.310 21.236 25.211 158 HZ1 LYS 30 3HZ LYS 30 -6.847 22.898 26.549 159 HZ2 LYS 30 1HZ LYS 30 -7.754 23.603 25.306 160 HZ3 LYS 30 2HZ LYS 30 -6.132 24.033 25.518 161 H LYS 31 H LYS 31 -4.791 22.099 18.135 162 HA LYS 31 HA LYS 31 -5.685 24.790 18.531 163 HB2 LYS 31 2HB LYS 31 -4.713 24.176 16.408 164 HB3 LYS 31 3HB LYS 31 -5.914 22.912 16.175 165 HG2 LYS 31 2HG LYS 31 -6.991 25.621 16.562 166 HG3 LYS 31 3HG LYS 31 -6.067 25.367 15.080 167 HD2 LYS 31 2HD LYS 31 -7.554 23.183 14.954 168 HD3 LYS 31 3HD LYS 31 -8.639 24.152 15.955 169 HE2 LYS 31 2HE LYS 31 -7.533 25.576 13.646 170 HE3 LYS 31 3HE LYS 31 -8.546 24.196 13.225 171 HZ1 LYS 31 3HZ LYS 31 -10.287 25.130 14.662 172 HZ2 LYS 31 1HZ LYS 31 -9.885 26.166 13.387 173 HZ3 LYS 31 2HZ LYS 31 -9.319 26.487 14.948 174 H SER 32 H SER 32 -7.310 21.707 17.828 175 HA SER 32 HA SER 32 -9.821 22.926 18.778 176 HB2 SER 32 2HB SER 32 -9.236 21.507 16.311 177 HB3 SER 32 3HB SER 32 -10.538 20.728 17.211 178 HG SER 32 HG SER 32 -10.528 23.518 16.816 179 H ARG 33 H ARG 33 -8.994 19.573 17.988 180 HA ARG 33 HA ARG 33 -8.540 18.609 20.552 181 HB2 ARG 33 2HB ARG 33 -11.314 19.219 20.046 182 HB3 ARG 33 3HB ARG 33 -11.110 17.493 20.314 183 HG2 ARG 33 2HG ARG 33 -10.254 17.811 22.468 184 HG3 ARG 33 3HG ARG 33 -9.935 19.523 22.180 185 HD2 ARG 33 2HD ARG 33 -11.981 20.092 22.848 186 HD3 ARG 33 3HD ARG 33 -12.723 18.906 21.776 187 HE ARG 33 HE ARG 33 -11.765 17.444 23.880 188 HH11 ARG 33 1HH1 ARG 33 -13.942 20.137 23.515 189 HH12 ARG 33 2HH1 ARG 33 -14.896 19.721 24.900 190 HH21 ARG 33 1HH2 ARG 33 -13.014 16.886 25.705 191 HH22 ARG 33 2HH2 ARG 33 -14.367 17.872 26.145 192 H TYR 34 H TYR 34 -10.894 17.378 18.188 193 HA TYR 34 HA TYR 34 -8.930 15.446 17.222 194 HB2 TYR 34 2HB TYR 34 -10.949 13.729 17.454 195 HB3 TYR 34 3HB TYR 34 -9.791 13.978 18.755 196 HD1 TYR 34 HD2 TYR 34 -13.159 14.966 17.551 197 HD2 TYR 34 HD1 TYR 34 -10.495 14.754 20.862 198 HE1 TYR 34 HE2 TYR 34 -15.000 15.575 19.064 199 HE2 TYR 34 HE1 TYR 34 -12.329 15.361 22.384 200 HH TYR 34 HH TYR 34 -15.053 16.760 21.515 201 H VAL 35 H VAL 35 -9.185 14.927 15.114 202 HA VAL 35 HA VAL 35 -11.656 15.807 13.774 203 HB VAL 35 HB VAL 35 -9.912 17.434 13.284 204 HG11 VAL 35 1HG1 VAL 35 -8.182 15.809 11.661 205 HG12 VAL 35 2HG1 VAL 35 -7.777 16.887 12.998 206 HG13 VAL 35 3HG1 VAL 35 -8.216 15.209 13.318 207 HG21 VAL 35 3HG2 VAL 35 -9.899 17.228 10.803 208 HG22 VAL 35 1HG2 VAL 35 -10.579 15.610 10.979 209 HG23 VAL 35 2HG2 VAL 35 -11.493 17.015 11.526 210 H ILE 36 H ILE 36 -12.612 14.268 12.620 211 HA ILE 36 HA ILE 36 -11.095 11.827 12.018 212 HB ILE 36 HB ILE 36 -14.087 12.125 11.868 213 HG12 ILE 36 2HG1 ILE 36 -12.413 11.274 14.242 214 HG13 ILE 36 3HG1 ILE 36 -13.381 12.740 14.131 215 HG21 ILE 36 1HG2 ILE 36 -12.603 10.161 10.888 216 HG22 ILE 36 2HG2 ILE 36 -12.690 9.599 12.556 217 HG23 ILE 36 3HG2 ILE 36 -14.172 9.860 11.636 218 HD11 ILE 36 3HD1 ILE 36 -14.247 9.916 14.482 219 HD12 ILE 36 1HD1 ILE 36 -14.753 11.368 15.344 220 HD13 ILE 36 2HD1 ILE 36 -15.334 11.068 13.706 221 H MET 37 H MET 37 -10.649 11.256 9.984 222 HA MET 37 HA MET 37 -12.078 12.629 7.805 223 HB2 MET 37 2HB MET 37 -9.268 12.672 8.435 224 HB3 MET 37 3HB MET 37 -9.518 11.934 6.858 225 HG2 MET 37 2HG MET 37 -9.207 14.216 6.442 226 HG3 MET 37 3HG MET 37 -10.941 13.943 6.292 227 HE1 MET 37 3HE MET 37 -8.101 14.761 8.453 228 HE2 MET 37 1HE MET 37 -8.498 16.363 9.073 229 HE3 MET 37 2HE MET 37 -8.901 14.929 10.016 230 H HIS 38 H HIS 38 -12.342 11.451 5.863 231 HA HIS 38 HA HIS 38 -11.765 8.573 6.039 232 HB2 HIS 38 2HB HIS 38 -13.960 8.002 5.252 233 HB3 HIS 38 3HB HIS 38 -14.151 9.065 6.644 234 HD1 HIS 38 HD1 HIS 38 -15.749 8.525 3.640 235 HD2 HIS 38 HD2 HIS 38 -14.211 11.961 5.398 236 HE1 HIS 38 HE1 HIS 38 -16.953 10.439 2.540 237 H ILE 39 H ILE 39 -11.953 7.472 3.904 238 HA ILE 39 HA ILE 39 -10.637 9.086 1.889 239 HB ILE 39 HB ILE 39 -11.364 6.169 1.675 240 HG12 ILE 39 2HG1 ILE 39 -8.856 7.405 2.834 241 HG13 ILE 39 3HG1 ILE 39 -10.087 6.533 3.741 242 HG21 ILE 39 1HG2 ILE 39 -9.250 7.852 0.337 243 HG22 ILE 39 2HG2 ILE 39 -9.450 6.113 0.130 244 HG23 ILE 39 3HG2 ILE 39 -10.715 7.216 -0.411 245 HD11 ILE 39 3HD1 ILE 39 -9.467 4.669 1.922 246 HD12 ILE 39 1HD1 ILE 39 -7.927 5.522 2.016 247 HD13 ILE 39 2HD1 ILE 39 -8.643 4.831 3.473 248 H VAL 40 H VAL 40 -11.600 9.971 0.185 249 HA VAL 40 HA VAL 40 -14.339 9.110 -0.472 250 HB VAL 40 HB VAL 40 -13.011 11.779 -0.965 251 HG11 VAL 40 1HG1 VAL 40 -15.734 12.060 -1.353 252 HG12 VAL 40 2HG1 VAL 40 -14.498 12.001 -2.611 253 HG13 VAL 40 3HG1 VAL 40 -15.351 10.530 -2.142 254 HG21 VAL 40 3HG2 VAL 40 -14.778 12.586 0.615 255 HG22 VAL 40 1HG2 VAL 40 -15.148 10.898 0.969 256 HG23 VAL 40 2HG2 VAL 40 -13.554 11.551 1.351 257 H ASP 41 H ASP 41 -14.712 8.224 -2.397 258 HA ASP 41 HA ASP 41 -14.430 7.484 -4.529 259 HB2 ASP 41 2HB ASP 41 -13.870 10.165 -4.633 260 HB3 ASP 41 3HB ASP 41 -12.407 9.464 -5.318 261 H GLN 42 H GLN 42 -12.393 6.989 -2.255 262 HA GLN 42 HA GLN 42 -10.420 5.887 -1.934 263 HB2 GLN 42 2HB GLN 42 -10.975 4.588 -4.594 264 HB3 GLN 42 3HB GLN 42 -10.167 3.896 -3.193 265 HG2 GLN 42 2HG GLN 42 -12.323 4.019 -1.965 266 HG3 GLN 42 3HG GLN 42 -13.091 4.545 -3.463 267 HE21 GLN 42 1HE2 GLN 42 -13.919 2.286 -2.129 268 HE22 GLN 42 2HE2 GLN 42 -13.535 0.890 -3.071 269 H LYS 43 H LYS 43 -10.211 8.423 -3.294 270 HA LYS 43 HA LYS 43 -7.577 8.033 -4.480 271 HB2 LYS 43 2HB LYS 43 -9.647 8.250 -6.190 272 HB3 LYS 43 3HB LYS 43 -9.307 9.956 -5.930 273 HG2 LYS 43 2HG LYS 43 -6.891 9.399 -6.493 274 HG3 LYS 43 3HG LYS 43 -7.504 7.850 -7.075 275 HD2 LYS 43 2HD LYS 43 -8.863 10.307 -8.036 276 HD3 LYS 43 3HD LYS 43 -7.246 9.975 -8.662 277 HE2 LYS 43 2HE LYS 43 -7.975 7.764 -9.390 278 HE3 LYS 43 3HE LYS 43 -9.583 8.067 -8.734 279 HZ1 LYS 43 3HZ LYS 43 -9.853 9.874 -10.305 280 HZ2 LYS 43 1HZ LYS 43 -9.501 8.435 -11.124 281 HZ3 LYS 43 2HZ LYS 43 -8.301 9.610 -10.924 282 H SER 44 H SER 44 -10.063 10.274 -3.352 283 HA SER 44 HA SER 44 -7.912 12.067 -2.430 284 HB2 SER 44 2HB SER 44 -10.549 12.707 -3.716 285 HB3 SER 44 3HB SER 44 -9.794 13.865 -2.621 286 HG SER 44 HG SER 44 -8.819 12.861 -5.075 287 H ILE 45 H ILE 45 -7.852 12.424 -0.311 288 HA ILE 45 HA ILE 45 -9.860 11.250 1.394 289 HB ILE 45 HB ILE 45 -7.502 12.918 2.257 290 HG12 ILE 45 2HG1 ILE 45 -6.763 11.077 0.781 291 HG13 ILE 45 3HG1 ILE 45 -6.232 10.844 2.442 292 HG21 ILE 45 1HG2 ILE 45 -8.245 12.517 4.307 293 HG22 ILE 45 2HG2 ILE 45 -9.616 11.628 3.645 294 HG23 ILE 45 3HG2 ILE 45 -8.114 10.782 4.017 295 HD11 ILE 45 3HD1 ILE 45 -7.768 9.114 0.785 296 HD12 ILE 45 1HD1 ILE 45 -7.130 8.829 2.404 297 HD13 ILE 45 2HD1 ILE 45 -8.722 9.561 2.200 298 H ALA 46 H ALA 46 -11.467 12.259 2.433 299 HA ALA 46 HA ALA 46 -11.459 15.200 2.517 300 HB1 ALA 46 1HB ALA 46 -14.085 13.898 2.182 301 HB2 ALA 46 2HB ALA 46 -13.472 15.413 1.517 302 HB3 ALA 46 3HB ALA 46 -13.020 13.878 0.776 303 H VAL 47 H VAL 47 -13.070 16.066 4.103 304 HA VAL 47 HA VAL 47 -12.765 14.670 6.605 305 HB VAL 47 HB VAL 47 -12.499 17.091 6.552 306 HG11 VAL 47 1HG1 VAL 47 -14.721 17.030 4.871 307 HG12 VAL 47 2HG1 VAL 47 -15.276 17.844 6.335 308 HG13 VAL 47 3HG1 VAL 47 -13.872 18.459 5.461 309 HG21 VAL 47 3HG2 VAL 47 -13.504 15.816 8.547 310 HG22 VAL 47 1HG2 VAL 47 -13.641 17.574 8.528 311 HG23 VAL 47 2HG2 VAL 47 -15.026 16.577 8.085 312 H LYS 48 H LYS 48 -14.305 13.664 7.797 313 HA LYS 48 HA LYS 48 -16.921 13.286 6.506 314 HB2 LYS 48 2HB LYS 48 -15.117 11.402 7.357 315 HB3 LYS 48 3HB LYS 48 -16.221 11.491 8.723 316 HG2 LYS 48 2HG LYS 48 -17.368 11.252 5.991 317 HG3 LYS 48 3HG LYS 48 -16.632 9.828 6.731 318 HD2 LYS 48 2HD LYS 48 -18.424 9.511 8.010 319 HD3 LYS 48 3HD LYS 48 -18.319 11.159 8.635 320 HE2 LYS 48 2HE LYS 48 -19.394 11.807 6.360 321 HE3 LYS 48 3HE LYS 48 -19.868 10.110 6.300 322 HZ1 LYS 48 3HZ LYS 48 -21.377 11.943 7.416 323 HZ2 LYS 48 1HZ LYS 48 -20.425 11.573 8.765 324 HZ3 LYS 48 2HZ LYS 48 -21.321 10.358 8.003 325 H THR 49 H THR 49 -15.421 13.680 9.708 326 HA THR 49 HA THR 49 -17.543 15.411 10.570 327 HB THR 49 HB THR 49 -17.283 12.688 11.859 328 HG1 THR 49 HG1 THR 49 -19.335 12.373 11.091 329 HG21 THR 49 3HG2 THR 49 -18.945 15.072 12.682 330 HG22 THR 49 1HG2 THR 49 -17.562 14.416 13.558 331 HG23 THR 49 2HG2 THR 49 -19.037 13.463 13.398 332 H ILE 50 H ILE 50 -16.381 16.955 11.508 333 HA ILE 50 HA ILE 50 -13.969 16.254 13.003 334 HB ILE 50 HB ILE 50 -13.871 18.070 11.304 335 HG12 ILE 50 2HG1 ILE 50 -13.393 19.291 14.005 336 HG13 ILE 50 3HG1 ILE 50 -12.460 17.891 13.488 337 HG21 ILE 50 1HG2 ILE 50 -16.261 18.869 12.317 338 HG22 ILE 50 2HG2 ILE 50 -15.162 20.024 13.068 339 HG23 ILE 50 3HG2 ILE 50 -15.213 19.870 11.312 340 HD11 ILE 50 3HD1 ILE 50 -11.088 19.226 12.394 341 HD12 ILE 50 1HD1 ILE 50 -12.422 19.770 11.377 342 HD13 ILE 50 2HD1 ILE 50 -12.049 20.624 12.875 343 H GLY 51 H GLY 51 -13.614 16.891 15.142 344 HA2 GLY 51 2HA GLY 51 -16.047 17.094 16.726 345 HA3 GLY 51 3HA GLY 51 -14.425 16.802 17.337 346 H GLU 52 H GLU 52 -12.902 18.768 16.906 347 HA GLU 52 HA GLU 52 -12.404 20.815 17.832 348 HB2 GLU 52 2HB GLU 52 -13.370 22.667 16.547 349 HB3 GLU 52 3HB GLU 52 -12.879 21.346 15.496 350 HG2 GLU 52 2HG GLU 52 -15.097 20.682 15.111 351 HG3 GLU 52 3HG GLU 52 -15.705 21.656 16.449 352 H ARG 53 H ARG 53 -14.010 19.499 19.602 353 HA ARG 53 HA ARG 53 -15.290 19.848 21.449 354 HB2 ARG 53 2HB ARG 53 -15.261 22.783 20.758 355 HB3 ARG 53 3HB ARG 53 -15.465 22.049 22.343 356 HG2 ARG 53 2HG ARG 53 -13.292 22.272 22.681 357 HG3 ARG 53 3HG ARG 53 -12.998 21.134 21.365 358 HD2 ARG 53 2HD ARG 53 -11.773 23.072 20.819 359 HD3 ARG 53 3HD ARG 53 -13.207 23.108 19.794 360 HE ARG 53 HE ARG 53 -13.659 24.547 22.190 361 HH11 ARG 53 1HH1 ARG 53 -11.991 24.745 19.141 362 HH12 ARG 53 2HH1 ARG 53 -12.028 26.477 19.085 363 HH21 ARG 53 1HH2 ARG 53 -13.714 26.827 22.128 364 HH22 ARG 53 2HH2 ARG 53 -13.007 27.659 20.785 365 H GLY 54 H GLY 54 -16.734 18.907 19.474 366 HA2 GLY 54 2HA GLY 54 -19.313 20.173 19.870 367 HA3 GLY 54 3HA GLY 54 -18.736 20.180 18.210 368 H ALA 55 H ALA 55 -17.443 17.645 18.264 369 HA ALA 55 HA ALA 55 -19.620 15.971 17.617 370 HB1 ALA 55 1HB ALA 55 -17.574 15.590 16.497 371 HB2 ALA 55 2HB ALA 55 -16.693 15.408 18.014 372 HB3 ALA 55 3HB ALA 55 -17.850 14.174 17.513 373 H ASN 56 H ASN 56 -20.974 15.029 18.986 374 HA ASN 56 HA ASN 56 -20.168 14.534 21.737 375 HB2 ASN 56 2HB ASN 56 -22.547 15.341 20.575 376 HB3 ASN 56 3HB ASN 56 -22.851 13.655 20.984 377 HD21 ASN 56 1HD2 ASN 56 -23.147 13.088 23.066 378 HD22 ASN 56 2HD2 ASN 56 -23.121 14.199 24.389 379 H PHE 57 H PHE 57 -21.284 12.404 22.645 380 HA PHE 57 HA PHE 57 -19.826 10.245 21.534 381 HB2 PHE 57 2HB PHE 57 -21.462 10.734 23.880 382 HB3 PHE 57 3HB PHE 57 -21.770 9.136 23.207 383 HD1 PHE 57 HD2 PHE 57 -19.170 11.355 24.584 384 HD2 PHE 57 HD1 PHE 57 -20.179 7.396 23.389 385 HE1 PHE 57 HE2 PHE 57 -17.124 10.512 25.660 386 HE2 PHE 57 HE1 PHE 57 -18.135 6.547 24.465 387 HZ PHE 57 HZ PHE 57 -16.604 8.106 25.601 388 H ASP 58 H ASP 58 -23.254 11.121 21.485 389 HA ASP 58 HA ASP 58 -24.143 8.802 20.127 390 HB2 ASP 58 2HB ASP 58 -25.298 11.215 21.145 391 HB3 ASP 58 3HB ASP 58 -25.854 10.976 19.490 392 H GLN 59 H GLN 59 -23.127 12.003 19.019 393 HA GLN 59 HA GLN 59 -23.705 11.480 16.268 394 HB2 GLN 59 2HB GLN 59 -22.034 13.618 17.595 395 HB3 GLN 59 3HB GLN 59 -22.386 13.571 15.873 396 HG2 GLN 59 2HG GLN 59 -24.869 13.354 17.081 397 HG3 GLN 59 3HG GLN 59 -24.001 14.529 18.067 398 HE21 GLN 59 1HE2 GLN 59 -23.731 16.543 17.321 399 HE22 GLN 59 2HE2 GLN 59 -24.222 17.089 15.757 400 H PHE 60 H PHE 60 -20.937 11.078 18.355 401 HA PHE 60 HA PHE 60 -18.996 10.737 16.313 402 HB2 PHE 60 2HB PHE 60 -18.218 11.276 18.504 403 HB3 PHE 60 3HB PHE 60 -19.071 9.909 19.214 404 HD1 PHE 60 HD1 PHE 60 -16.380 10.701 16.769 405 HD2 PHE 60 HD2 PHE 60 -17.940 7.935 19.603 406 HE1 PHE 60 HE1 PHE 60 -14.357 9.321 16.531 407 HE2 PHE 60 HE2 PHE 60 -15.919 6.551 19.371 408 HZ PHE 60 HZ PHE 60 -14.123 7.244 17.834 409 H ILE 61 H ILE 61 -20.930 8.453 18.219 410 HA ILE 61 HA ILE 61 -19.844 6.139 16.942 411 HB ILE 61 HB ILE 61 -22.376 6.442 18.562 412 HG12 ILE 61 2HG1 ILE 61 -20.296 7.007 19.783 413 HG13 ILE 61 3HG1 ILE 61 -21.068 5.557 20.414 414 HG21 ILE 61 1HG2 ILE 61 -22.048 3.945 18.880 415 HG22 ILE 61 2HG2 ILE 61 -22.623 4.471 17.299 416 HG23 ILE 61 3HG2 ILE 61 -20.932 4.023 17.517 417 HD11 ILE 61 3HD1 ILE 61 -19.205 4.806 18.396 418 HD12 ILE 61 1HD1 ILE 61 -18.414 5.885 19.546 419 HD13 ILE 61 2HD1 ILE 61 -19.204 4.414 20.116 420 H GLU 62 H GLU 62 -22.851 7.987 16.595 421 HA GLU 62 HA GLU 62 -24.070 6.333 14.682 422 HB2 GLU 62 2HB GLU 62 -25.210 8.145 15.966 423 HB3 GLU 62 3HB GLU 62 -24.379 9.326 14.964 424 HG2 GLU 62 2HG GLU 62 -25.698 8.944 13.168 425 HG3 GLU 62 3HG GLU 62 -25.923 7.239 13.556 426 H ALA 63 H ALA 63 -21.856 9.065 14.345 427 HA ALA 63 HA ALA 63 -21.978 9.151 11.498 428 HB1 ALA 63 1HB ALA 63 -19.889 10.551 11.755 429 HB2 ALA 63 2HB ALA 63 -21.325 11.142 12.591 430 HB3 ALA 63 3HB ALA 63 -20.056 10.317 13.495 431 H ILE 64 H ILE 64 -19.545 7.908 13.785 432 HA ILE 64 HA ILE 64 -17.906 6.789 11.734 433 HB ILE 64 HB ILE 64 -17.945 6.209 14.698 434 HG12 ILE 64 2HG1 ILE 64 -17.471 8.572 14.108 435 HG13 ILE 64 3HG1 ILE 64 -16.087 7.769 14.840 436 HG21 ILE 64 1HG2 ILE 64 -16.880 4.399 13.537 437 HG22 ILE 64 2HG2 ILE 64 -15.927 5.522 12.569 438 HG23 ILE 64 3HG2 ILE 64 -15.633 5.384 14.302 439 HD11 ILE 64 3HD1 ILE 64 -15.935 7.450 12.019 440 HD12 ILE 64 1HD1 ILE 64 -16.217 9.151 12.390 441 HD13 ILE 64 2HD1 ILE 64 -14.840 8.308 13.102 442 H ASP 65 H ASP 65 -18.155 4.938 10.682 443 HA ASP 65 HA ASP 65 -19.830 2.839 11.896 444 HB2 ASP 65 2HB ASP 65 -20.362 4.281 9.537 445 HB3 ASP 65 3HB ASP 65 -19.827 2.685 9.017 446 H LYS 66 H LYS 66 -19.420 0.656 10.916 447 HA LYS 66 HA LYS 66 -16.525 0.307 10.553 448 HB2 LYS 66 2HB LYS 66 -18.565 -1.133 12.034 449 HB3 LYS 66 3HB LYS 66 -17.664 -2.206 10.971 450 HG2 LYS 66 2HG LYS 66 -15.578 -1.505 11.978 451 HG3 LYS 66 3HG LYS 66 -16.436 -0.345 12.996 452 HD2 LYS 66 2HD LYS 66 -16.181 -2.122 14.442 453 HD3 LYS 66 3HD LYS 66 -17.778 -2.451 13.765 454 HE2 LYS 66 2HE LYS 66 -15.910 -3.643 12.030 455 HE3 LYS 66 3HE LYS 66 -15.397 -4.048 13.667 456 HZ1 LYS 66 3HZ LYS 66 -17.468 -5.041 14.124 457 HZ2 LYS 66 1HZ LYS 66 -17.013 -5.623 12.602 458 HZ3 LYS 66 2HZ LYS 66 -18.183 -4.409 12.728 459 H ASN 67 H ASN 67 -16.203 0.482 8.384 460 HA ASN 67 HA ASN 67 -16.725 -1.715 6.735 461 HB2 ASN 67 2HB ASN 67 -18.937 0.041 6.924 462 HB3 ASN 67 3HB ASN 67 -18.221 0.298 5.335 463 HD21 ASN 67 1HD2 ASN 67 -20.768 -0.894 6.018 464 HD22 ASN 67 2HD2 ASN 67 -20.751 -2.493 5.364 465 H VAL 68 H VAL 68 -16.680 1.829 6.294 466 HA VAL 68 HA VAL 68 -14.653 1.552 4.226 467 HB VAL 68 HB VAL 68 -14.899 4.033 4.009 468 HG11 VAL 68 1HG1 VAL 68 -17.651 2.943 3.820 469 HG12 VAL 68 2HG1 VAL 68 -16.693 3.817 2.624 470 HG13 VAL 68 3HG1 VAL 68 -16.379 2.108 2.930 471 HG21 VAL 68 3HG2 VAL 68 -16.050 5.269 5.469 472 HG22 VAL 68 1HG2 VAL 68 -17.408 4.144 5.471 473 HG23 VAL 68 2HG2 VAL 68 -16.024 3.857 6.524 474 HA PRO 69 HA PRO 69 -11.172 2.544 6.712 475 HB2 PRO 69 2HB PRO 69 -9.653 3.944 4.951 476 HB3 PRO 69 3HB PRO 69 -9.888 2.196 4.839 477 HG2 PRO 69 2HG PRO 69 -11.256 4.390 3.332 478 HG3 PRO 69 3HG PRO 69 -10.636 2.840 2.734 479 HD2 PRO 69 2HD PRO 69 -13.260 3.255 3.258 480 HD3 PRO 69 3HD PRO 69 -12.482 1.674 3.472 481 H CYS 70 H CYS 70 -11.467 3.941 8.349 482 HA CYS 70 HA CYS 70 -11.410 6.811 7.722 483 HB2 CYS 70 2HB CYS 70 -13.730 5.807 8.387 484 HB3 CYS 70 3HB CYS 70 -13.057 5.794 10.013 485 HG CYS 70 HG CYS 70 -14.521 8.056 10.035 486 H TYR 71 H TYR 71 -10.178 8.058 9.054 487 HA TYR 71 HA TYR 71 -8.926 6.734 11.365 488 HB2 TYR 71 2HB TYR 71 -6.794 7.799 10.802 489 HB3 TYR 71 3HB TYR 71 -7.339 6.761 9.490 490 HD1 TYR 71 HD2 TYR 71 -8.073 7.712 7.372 491 HD2 TYR 71 HD1 TYR 71 -6.716 10.209 10.538 492 HE1 TYR 71 HE2 TYR 71 -7.862 9.587 5.794 493 HE2 TYR 71 HE1 TYR 71 -6.502 12.092 8.970 494 HH TYR 71 HH TYR 71 -6.135 12.088 6.130 495 H ALA 72 H ALA 72 -8.918 7.883 13.197 496 HA ALA 72 HA ALA 72 -9.739 10.710 13.041 497 HB1 ALA 72 1HB ALA 72 -10.320 8.606 15.109 498 HB2 ALA 72 2HB ALA 72 -10.561 10.328 15.408 499 HB3 ALA 72 3HB ALA 72 -11.463 9.522 14.125 500 H ALA 73 H ALA 73 -8.364 12.195 13.772 501 HA ALA 73 HA ALA 73 -6.028 11.286 15.312 502 HB1 ALA 73 1HB ALA 73 -4.739 12.659 14.105 503 HB2 ALA 73 2HB ALA 73 -6.096 12.705 12.978 504 HB3 ALA 73 3HB ALA 73 -5.907 13.979 14.182 505 H PHE 74 H PHE 74 -6.264 11.614 17.424 506 HA PHE 74 HA PHE 74 -7.542 14.115 18.317 507 HB2 PHE 74 2HB PHE 74 -8.504 13.020 20.123 508 HB3 PHE 74 3HB PHE 74 -8.592 11.785 18.871 509 HD1 PHE 74 HD1 PHE 74 -7.175 9.824 18.955 510 HD2 PHE 74 HD2 PHE 74 -6.998 12.799 21.993 511 HE1 PHE 74 HE1 PHE 74 -5.939 8.266 20.404 512 HE2 PHE 74 HE2 PHE 74 -5.762 11.247 23.447 513 HZ PHE 74 HZ PHE 74 -5.230 8.977 22.653 514 H ASP 75 H ASP 75 -6.471 15.413 19.714 515 HA ASP 75 HA ASP 75 -3.686 14.728 20.268 516 HB2 ASP 75 2HB ASP 75 -4.504 16.961 19.229 517 HB3 ASP 75 3HB ASP 75 -4.954 17.383 20.879 518 H PHE 76 H PHE 76 -2.955 14.218 22.231 519 HA PHE 76 HA PHE 76 -4.771 14.601 24.520 520 HB2 PHE 76 2HB PHE 76 -4.020 12.206 23.600 521 HB3 PHE 76 3HB PHE 76 -2.635 12.532 24.637 522 HD1 PHE 76 HD1 PHE 76 -6.332 13.006 24.888 523 HD2 PHE 76 HD2 PHE 76 -2.770 11.516 26.679 524 HE1 PHE 76 HE1 PHE 76 -7.629 12.265 26.843 525 HE2 PHE 76 HE2 PHE 76 -4.062 10.772 28.636 526 HZ PHE 76 HZ PHE 76 -6.495 11.145 28.720 527 H GLU 77 H GLU 77 -3.628 14.721 26.652 528 HA GLU 77 HA GLU 77 -1.097 16.207 26.380 529 HB2 GLU 77 2HB GLU 77 -1.909 17.356 28.550 530 HB3 GLU 77 3HB GLU 77 -2.613 17.855 27.018 531 HG2 GLU 77 2HG GLU 77 -4.640 16.872 27.470 532 HG3 GLU 77 3HG GLU 77 -3.948 15.723 28.614 533 H TYR 78 H TYR 78 0.566 15.635 27.668 534 HA TYR 78 HA TYR 78 0.137 14.023 30.036 535 HB2 TYR 78 2HB TYR 78 1.048 12.883 27.487 536 HB3 TYR 78 3HB TYR 78 2.096 12.513 28.852 537 HD1 TYR 78 HD1 TYR 78 0.575 11.917 31.074 538 HD2 TYR 78 HD2 TYR 78 -0.493 11.247 27.010 539 HE1 TYR 78 HE1 TYR 78 -0.966 10.135 31.779 540 HE2 TYR 78 HE2 TYR 78 -2.038 9.464 27.704 541 HH TYR 78 HH TYR 78 -2.930 8.970 30.965 542 H THR 79 H THR 79 2.315 13.472 31.065 543 HA THR 79 HA THR 79 4.060 15.823 30.791 544 HB THR 79 HB THR 79 3.145 15.664 33.005 545 HG1 THR 79 HG1 THR 79 5.039 15.880 34.019 546 HG21 THR 79 3HG2 THR 79 3.611 12.812 32.612 547 HG22 THR 79 1HG2 THR 79 2.480 13.634 33.686 548 HG23 THR 79 2HG2 THR 79 4.152 13.387 34.188 549 H THR 80 H THR 80 4.760 14.321 28.854 550 HA THR 80 HA THR 80 6.529 12.165 29.537 551 HB THR 80 HB THR 80 7.214 12.477 27.043 552 HG1 THR 80 HG1 THR 80 4.728 13.839 26.954 553 HG21 THR 80 3HG2 THR 80 4.839 11.520 26.409 554 HG22 THR 80 1HG2 THR 80 4.632 11.490 28.160 555 HG23 THR 80 2HG2 THR 80 5.953 10.592 27.412 556 H ASN 81 H ASN 81 6.979 15.459 28.260 557 HA ASN 81 HA ASN 81 9.840 15.299 28.457 558 HB2 ASN 81 2HB ASN 81 8.594 16.695 26.768 559 HB3 ASN 81 3HB ASN 81 8.154 17.779 28.084 560 HD21 ASN 81 1HD2 ASN 81 9.260 19.422 26.900 561 HD22 ASN 81 2HD2 ASN 81 10.981 19.549 26.988 562 H ASP 82 H ASP 82 7.224 16.626 30.387 563 HA ASP 82 HA ASP 82 8.591 16.514 32.802 564 HB2 ASP 82 2HB ASP 82 9.240 18.858 31.220 565 HB3 ASP 82 3HB ASP 82 8.511 19.305 32.759 566 H GLY 83 H GLY 83 6.161 18.120 30.852 567 HA2 GLY 83 2HA GLY 83 4.072 17.512 32.647 568 HA3 GLY 83 3HA GLY 83 4.556 19.185 32.881 569 HA PRO 84 HA PRO 84 2.036 20.470 29.540 570 HB2 PRO 84 2HB PRO 84 3.527 22.423 28.385 571 HB3 PRO 84 3HB PRO 84 2.736 22.619 29.954 572 HG2 PRO 84 2HG PRO 84 5.588 21.947 29.342 573 HG3 PRO 84 3HG PRO 84 4.938 23.069 30.551 574 HD2 PRO 84 2HD PRO 84 5.789 20.577 31.183 575 HD3 PRO 84 3HD PRO 84 4.459 21.379 32.044 576 H ARG 85 H ARG 85 2.529 18.251 28.565 577 HA ARG 85 HA ARG 85 3.929 18.625 25.998 578 HB2 ARG 85 2HB ARG 85 4.619 16.828 27.983 579 HB3 ARG 85 3HB ARG 85 3.665 15.851 26.876 580 HG2 ARG 85 2HG ARG 85 5.842 17.595 25.815 581 HG3 ARG 85 3HG ARG 85 6.232 16.042 26.557 582 HD2 ARG 85 2HD ARG 85 4.242 15.273 24.932 583 HD3 ARG 85 3HD ARG 85 4.857 16.644 24.010 584 HE ARG 85 HE ARG 85 6.889 14.803 24.895 585 HH11 ARG 85 1HH1 ARG 85 4.607 15.593 22.386 586 HH12 ARG 85 2HH1 ARG 85 5.463 14.726 21.155 587 HH21 ARG 85 1HH2 ARG 85 8.024 13.658 23.282 588 HH22 ARG 85 2HH2 ARG 85 7.406 13.624 21.665 589 H ASP 86 H ASP 86 3.014 17.643 24.166 590 HA ASP 86 HA ASP 86 0.305 16.553 24.494 591 HB2 ASP 86 2HB ASP 86 1.135 18.733 22.569 592 HB3 ASP 86 3HB ASP 86 -0.396 17.866 22.477 593 H LYS 87 H LYS 87 -0.251 14.940 23.094 594 HA LYS 87 HA LYS 87 1.592 14.288 20.912 595 HB2 LYS 87 2HB LYS 87 1.007 12.632 23.311 596 HB3 LYS 87 3HB LYS 87 1.104 11.797 21.766 597 HG2 LYS 87 2HG LYS 87 3.310 13.622 22.080 598 HG3 LYS 87 3HG LYS 87 3.212 12.503 23.442 599 HD2 LYS 87 2HD LYS 87 4.593 11.498 21.770 600 HD3 LYS 87 3HD LYS 87 3.055 10.633 21.786 601 HE2 LYS 87 2HE LYS 87 3.586 10.967 19.511 602 HE3 LYS 87 3HE LYS 87 2.335 12.148 19.893 603 HZ1 LYS 87 3HZ LYS 87 4.326 12.953 18.572 604 HZ2 LYS 87 1HZ LYS 87 5.208 12.835 20.011 605 HZ3 LYS 87 2HZ LYS 87 3.881 13.879 19.916 606 H LEU 88 H LEU 88 0.496 13.956 19.100 607 HA LEU 88 HA LEU 88 -2.379 13.509 19.227 608 HB2 LEU 88 2HB LEU 88 -0.790 15.037 17.596 609 HB3 LEU 88 3HB LEU 88 -1.138 13.636 16.584 610 HG LEU 88 HG LEU 88 -3.293 15.255 17.925 611 HD11 LEU 88 1HD1 LEU 88 -2.864 15.606 15.044 612 HD12 LEU 88 2HD1 LEU 88 -1.619 16.313 16.073 613 HD13 LEU 88 3HD1 LEU 88 -3.306 16.782 16.282 614 HD21 LEU 88 3HD2 LEU 88 -4.742 13.885 16.915 615 HD22 LEU 88 1HD2 LEU 88 -3.370 12.795 16.715 616 HD23 LEU 88 2HD2 LEU 88 -3.828 13.884 15.405 617 H ILE 89 H ILE 89 -3.366 11.645 18.745 618 HA ILE 89 HA ILE 89 -1.719 9.466 17.633 619 HB ILE 89 HB ILE 89 -4.100 8.813 19.290 620 HG12 ILE 89 2HG1 ILE 89 -3.010 10.498 20.664 621 HG13 ILE 89 3HG1 ILE 89 -2.730 8.903 21.355 622 HG21 ILE 89 1HG2 ILE 89 -2.965 6.991 18.278 623 HG22 ILE 89 2HG2 ILE 89 -1.394 7.587 18.811 624 HG23 ILE 89 3HG2 ILE 89 -2.546 6.961 19.990 625 HD11 ILE 89 3HD1 ILE 89 -0.608 9.506 19.560 626 HD12 ILE 89 1HD1 ILE 89 -0.837 10.867 20.658 627 HD13 ILE 89 2HD1 ILE 89 -0.552 9.250 21.304 628 H LEU 90 H LEU 90 -2.702 8.029 16.187 629 HA LEU 90 HA LEU 90 -5.256 8.972 15.058 630 HB2 LEU 90 2HB LEU 90 -3.002 9.170 13.738 631 HB3 LEU 90 3HB LEU 90 -3.265 7.453 13.436 632 HG LEU 90 HG LEU 90 -5.578 8.196 12.555 633 HD11 LEU 90 1HD1 LEU 90 -4.489 10.707 13.299 634 HD12 LEU 90 2HD1 LEU 90 -6.048 10.359 12.553 635 HD13 LEU 90 3HD1 LEU 90 -4.638 10.672 11.542 636 HD21 LEU 90 3HD2 LEU 90 -4.538 8.765 10.331 637 HD22 LEU 90 1HD2 LEU 90 -3.983 7.265 11.073 638 HD23 LEU 90 2HD2 LEU 90 -2.971 8.708 11.140 639 H ILE 91 H ILE 91 -6.868 7.584 15.288 640 HA ILE 91 HA ILE 91 -6.237 4.710 15.468 641 HB ILE 91 HB ILE 91 -8.635 6.071 16.693 642 HG12 ILE 91 2HG1 ILE 91 -7.218 5.335 18.834 643 HG13 ILE 91 3HG1 ILE 91 -5.879 5.606 17.724 644 HG21 ILE 91 1HG2 ILE 91 -7.687 3.292 16.471 645 HG22 ILE 91 2HG2 ILE 91 -8.286 3.774 18.057 646 HG23 ILE 91 3HG2 ILE 91 -9.324 3.926 16.640 647 HD11 ILE 91 3HD1 ILE 91 -7.573 7.512 19.105 648 HD12 ILE 91 1HD1 ILE 91 -5.984 7.726 18.373 649 HD13 ILE 91 2HD1 ILE 91 -7.436 7.842 17.379 650 H SER 92 H SER 92 -7.087 3.431 13.964 651 HA SER 92 HA SER 92 -9.174 4.544 12.215 652 HB2 SER 92 2HB SER 92 -6.765 3.554 11.479 653 HB3 SER 92 3HB SER 92 -7.741 2.089 11.382 654 HG SER 92 HG SER 92 -8.171 4.549 10.040 655 H TRP 93 H TRP 93 -11.087 3.525 11.944 656 HA TRP 93 HA TRP 93 -11.468 0.964 13.351 657 HB2 TRP 93 2HB TRP 93 -13.947 1.996 13.476 658 HB3 TRP 93 3HB TRP 93 -12.741 2.248 14.736 659 HD1 TRP 93 HD1 TRP 93 -13.751 4.076 11.449 660 HE1 TRP 93 HE1 TRP 93 -13.686 6.607 11.911 661 HE3 TRP 93 HE3 TRP 93 -12.203 3.973 16.321 662 HZ2 TRP 93 HZ2 TRP 93 -13.061 8.332 14.056 663 HZ3 TRP 93 HZ3 TRP 93 -11.895 6.107 17.506 664 HH2 TRP 93 HH2 TRP 93 -12.315 8.240 16.395 665 H ASN 94 H ASN 94 -11.943 -0.609 11.978 666 HA ASN 94 HA ASN 94 -14.072 -0.567 10.178 667 HB2 ASN 94 2HB ASN 94 -12.525 -0.765 8.059 668 HB3 ASN 94 3HB ASN 94 -13.038 0.816 8.641 669 HD21 ASN 94 1HD2 ASN 94 -10.401 -1.421 8.357 670 HD22 ASN 94 2HD2 ASN 94 -9.144 -0.306 8.761 671 HA PRO 95 HA PRO 95 -13.299 -4.886 10.401 672 HB2 PRO 95 2HB PRO 95 -14.623 -5.744 8.191 673 HB3 PRO 95 3HB PRO 95 -15.450 -5.177 9.647 674 HG2 PRO 95 2HG PRO 95 -14.893 -3.715 7.094 675 HG3 PRO 95 3HG PRO 95 -16.374 -3.739 8.070 676 HD2 PRO 95 2HD PRO 95 -14.595 -1.700 8.171 677 HD3 PRO 95 3HD PRO 95 -15.555 -2.201 9.578 678 H ASP 96 H ASP 96 -11.603 -6.117 9.889 679 HA ASP 96 HA ASP 96 -9.736 -5.375 7.914 680 HB2 ASP 96 2HB ASP 96 -8.610 -7.503 8.463 681 HB3 ASP 96 3HB ASP 96 -9.067 -6.606 9.909 682 H SER 97 H SER 97 -12.338 -7.740 7.954 683 HA SER 97 HA SER 97 -11.643 -8.606 5.245 684 HB2 SER 97 2HB SER 97 -13.763 -10.133 5.811 685 HB3 SER 97 3HB SER 97 -12.141 -10.541 6.370 686 HG SER 97 HG SER 97 -14.342 -9.638 7.796 687 H GLY 98 H GLY 98 -13.042 -6.011 6.259 688 HA2 GLY 98 2HA GLY 98 -15.674 -5.894 5.428 689 HA3 GLY 98 3HA GLY 98 -14.551 -4.546 5.334 690 H ALA 99 H ALA 99 -13.463 -4.127 3.387 691 HA ALA 99 HA ALA 99 -14.451 -5.622 1.051 692 HB1 ALA 99 1HB ALA 99 -14.728 -2.774 1.668 693 HB2 ALA 99 2HB ALA 99 -14.102 -3.110 0.053 694 HB3 ALA 99 3HB ALA 99 -15.647 -3.793 0.560 695 HA PRO 100 HA PRO 100 -10.308 -5.845 -0.376 696 HB2 PRO 100 2HB PRO 100 -10.597 -5.533 -3.058 697 HB3 PRO 100 3HB PRO 100 -11.099 -6.995 -2.201 698 HG2 PRO 100 2HG PRO 100 -12.753 -4.672 -3.113 699 HG3 PRO 100 3HG PRO 100 -13.110 -6.406 -3.211 700 HD2 PRO 100 2HD PRO 100 -14.165 -4.808 -1.297 701 HD3 PRO 100 3HD PRO 100 -13.788 -6.519 -1.011 702 H ARG 101 H ARG 101 -12.066 -3.207 -2.018 703 HA ARG 101 HA ARG 101 -9.739 -1.682 -2.565 704 HB2 ARG 101 2HB ARG 101 -12.564 -0.640 -2.344 705 HB3 ARG 101 3HB ARG 101 -11.237 0.060 -3.261 706 HG2 ARG 101 2HG ARG 101 -11.396 -2.439 -4.336 707 HG3 ARG 101 3HG ARG 101 -13.086 -2.088 -3.967 708 HD2 ARG 101 2HD ARG 101 -13.048 -0.112 -5.286 709 HD3 ARG 101 3HD ARG 101 -11.294 -0.178 -5.450 710 HE ARG 101 HE ARG 101 -11.535 -1.709 -7.146 711 HH11 ARG 101 1HH1 ARG 101 -14.571 -1.314 -5.487 712 HH12 ARG 101 2HH1 ARG 101 -15.477 -2.215 -6.657 713 HH21 ARG 101 1HH2 ARG 101 -12.717 -2.898 -8.693 714 HH22 ARG 101 2HH2 ARG 101 -14.421 -3.116 -8.480 715 H THR 102 H THR 102 -12.097 -1.661 0.056 716 HA THR 102 HA THR 102 -11.251 0.703 1.320 717 HB THR 102 HB THR 102 -12.281 -0.310 3.393 718 HG1 THR 102 HG1 THR 102 -12.469 -2.413 3.344 719 HG21 THR 102 3HG2 THR 102 -13.471 0.925 1.397 720 HG22 THR 102 1HG2 THR 102 -14.416 0.175 2.682 721 HG23 THR 102 2HG2 THR 102 -14.208 -0.657 1.141 722 H LYS 103 H LYS 103 -10.300 -2.681 1.821 723 HA LYS 103 HA LYS 103 -8.484 -2.142 3.932 724 HB2 LYS 103 2HB LYS 103 -9.158 -4.457 2.214 725 HB3 LYS 103 3HB LYS 103 -7.548 -4.466 2.922 726 HG2 LYS 103 2HG LYS 103 -9.755 -3.826 4.765 727 HG3 LYS 103 3HG LYS 103 -9.725 -5.473 4.131 728 HD2 LYS 103 2HD LYS 103 -8.490 -5.328 6.227 729 HD3 LYS 103 3HD LYS 103 -7.407 -5.718 4.889 730 HE2 LYS 103 2HE LYS 103 -6.628 -3.447 4.788 731 HE3 LYS 103 3HE LYS 103 -7.825 -2.938 5.978 732 HZ1 LYS 103 3HZ LYS 103 -5.305 -4.350 6.366 733 HZ2 LYS 103 1HZ LYS 103 -6.589 -4.801 7.371 734 HZ3 LYS 103 2HZ LYS 103 -6.060 -3.195 7.344 735 H MET 104 H MET 104 -8.017 -2.709 0.451 736 HA MET 104 HA MET 104 -5.224 -2.455 0.440 737 HB2 MET 104 2HB MET 104 -7.039 -3.141 -1.421 738 HB3 MET 104 3HB MET 104 -6.719 -1.489 -1.933 739 HG2 MET 104 2HG MET 104 -5.148 -2.573 -3.156 740 HG3 MET 104 3HG MET 104 -4.214 -2.265 -1.694 741 HE1 MET 104 3HE MET 104 -4.718 -4.785 0.451 742 HE2 MET 104 1HE MET 104 -3.249 -5.416 -0.294 743 HE3 MET 104 2HE MET 104 -3.476 -3.675 -0.132 744 H LEU 105 H LEU 105 -7.775 -0.075 0.429 745 HA LEU 105 HA LEU 105 -6.233 2.142 -0.415 746 HB2 LEU 105 2HB LEU 105 -8.837 1.768 0.979 747 HB3 LEU 105 3HB LEU 105 -8.098 3.368 0.989 748 HG LEU 105 HG LEU 105 -8.542 1.907 -1.590 749 HD11 LEU 105 1HD1 LEU 105 -10.591 3.855 -0.903 750 HD12 LEU 105 2HD1 LEU 105 -10.617 2.429 0.133 751 HD13 LEU 105 3HD1 LEU 105 -10.744 2.250 -1.617 752 HD21 LEU 105 3HD2 LEU 105 -7.225 4.185 -1.067 753 HD22 LEU 105 1HD2 LEU 105 -8.853 4.827 -1.287 754 HD23 LEU 105 2HD2 LEU 105 -8.093 3.891 -2.574 755 H TYR 106 H TYR 106 -6.707 0.583 2.673 756 HA TYR 106 HA TYR 106 -5.810 2.610 4.377 757 HB2 TYR 106 2HB TYR 106 -6.890 0.585 5.211 758 HB3 TYR 106 3HB TYR 106 -5.528 -0.389 4.667 759 HD1 TYR 106 HD1 TYR 106 -6.402 2.403 6.972 760 HD2 TYR 106 HD2 TYR 106 -3.739 -0.800 6.106 761 HE1 TYR 106 HE1 TYR 106 -5.307 2.733 9.149 762 HE2 TYR 106 HE2 TYR 106 -2.638 -0.481 8.282 763 HH TYR 106 HH TYR 106 -2.403 1.665 9.927 764 H SER 107 H SER 107 -3.995 -0.013 2.804 765 HA SER 107 HA SER 107 -1.473 0.715 3.842 766 HB2 SER 107 2HB SER 107 -1.916 -1.512 2.905 767 HB3 SER 107 3HB SER 107 -2.134 -0.803 1.305 768 HG SER 107 HG SER 107 -0.052 -1.473 1.354 769 H SER 108 H SER 108 -2.929 1.306 0.644 770 HA SER 108 HA SER 108 -0.855 2.810 -0.442 771 HB2 SER 108 2HB SER 108 -3.016 1.901 -1.552 772 HB3 SER 108 3HB SER 108 -3.738 3.428 -1.044 773 HG SER 108 HG SER 108 -1.287 3.505 -2.384 774 H SER 109 H SER 109 -3.583 3.813 1.563 775 HA SER 109 HA SER 109 -2.972 6.605 1.394 776 HB2 SER 109 2HB SER 109 -4.790 6.945 2.851 777 HB3 SER 109 3HB SER 109 -5.248 5.514 1.927 778 HG SER 109 HG SER 109 -4.983 4.284 3.661 779 H ARG 110 H ARG 110 -1.979 3.968 3.409 780 HA ARG 110 HA ARG 110 -1.112 5.403 5.668 781 HB2 ARG 110 2HB ARG 110 -1.051 2.719 4.765 782 HB3 ARG 110 3HB ARG 110 0.601 3.157 5.179 783 HG2 ARG 110 2HG ARG 110 -1.434 3.959 7.140 784 HG3 ARG 110 3HG ARG 110 -1.213 2.220 6.939 785 HD2 ARG 110 2HD ARG 110 1.359 3.372 7.015 786 HD3 ARG 110 3HD ARG 110 0.434 4.104 8.325 787 HE ARG 110 HE ARG 110 0.448 2.091 9.416 788 HH11 ARG 110 1HH1 ARG 110 1.383 1.604 6.097 789 HH12 ARG 110 2HH1 ARG 110 1.835 -0.052 6.331 790 HH21 ARG 110 1HH2 ARG 110 1.040 -0.089 9.736 791 HH22 ARG 110 2HH2 ARG 110 1.639 -1.014 8.401 792 H ASP 111 H ASP 111 0.484 4.596 2.627 793 HA ASP 111 HA ASP 111 3.060 5.512 3.343 794 HB2 ASP 111 2HB ASP 111 2.315 4.057 1.325 795 HB3 ASP 111 3HB ASP 111 2.014 5.598 0.526 796 H ALA 112 H ALA 112 0.249 7.104 1.946 797 HA ALA 112 HA ALA 112 1.639 9.581 1.473 798 HB1 ALA 112 1HB ALA 112 -0.370 8.696 0.175 799 HB2 ALA 112 2HB ALA 112 -1.344 9.242 1.541 800 HB3 ALA 112 3HB ALA 112 -0.386 10.402 0.621 801 H LEU 113 H LEU 113 -0.248 8.170 4.038 802 HA LEU 113 HA LEU 113 -0.617 10.673 5.432 803 HB2 LEU 113 2HB LEU 113 -1.473 7.882 5.761 804 HB3 LEU 113 3HB LEU 113 -1.191 8.753 7.267 805 HG LEU 113 HG LEU 113 -2.908 10.036 5.201 806 HD11 LEU 113 1HD1 LEU 113 -3.419 7.419 6.109 807 HD12 LEU 113 2HD1 LEU 113 -4.490 8.487 5.203 808 HD13 LEU 113 3HD1 LEU 113 -4.530 8.487 6.966 809 HD21 LEU 113 3HD2 LEU 113 -2.869 11.444 6.958 810 HD22 LEU 113 1HD2 LEU 113 -2.419 10.178 8.100 811 HD23 LEU 113 2HD2 LEU 113 -4.101 10.357 7.602 812 H VAL 114 H VAL 114 1.715 8.137 5.320 813 HA VAL 114 HA VAL 114 2.865 8.191 7.825 814 HB VAL 114 HB VAL 114 3.925 7.664 5.096 815 HG11 VAL 114 1HG1 VAL 114 5.619 8.251 7.500 816 HG12 VAL 114 2HG1 VAL 114 6.170 7.155 6.232 817 HG13 VAL 114 3HG1 VAL 114 5.800 8.836 5.847 818 HG21 VAL 114 3HG2 VAL 114 4.541 5.872 7.330 819 HG22 VAL 114 1HG2 VAL 114 2.817 6.127 7.054 820 HG23 VAL 114 2HG2 VAL 114 3.838 5.519 5.751 821 HA PRO 115 HA PRO 115 5.651 11.896 6.431 822 HB2 PRO 115 2HB PRO 115 4.902 13.220 4.183 823 HB3 PRO 115 3HB PRO 115 6.007 11.840 4.162 824 HG2 PRO 115 2HG PRO 115 3.074 11.928 3.568 825 HG3 PRO 115 3HG PRO 115 4.364 11.067 2.709 826 HD2 PRO 115 2HD PRO 115 2.706 9.835 4.461 827 HD3 PRO 115 3HD PRO 115 4.394 9.336 4.231 828 H LEU 116 H LEU 116 2.200 12.110 5.718 829 HA LEU 116 HA LEU 116 1.885 14.843 6.373 830 HB2 LEU 116 2HB LEU 116 0.280 12.814 5.379 831 HB3 LEU 116 3HB LEU 116 -0.447 13.209 6.935 832 HG LEU 116 HG LEU 116 -1.495 14.432 5.092 833 HD11 LEU 116 1HD1 LEU 116 -1.762 15.624 7.029 834 HD12 LEU 116 2HD1 LEU 116 -0.900 16.803 6.041 835 HD13 LEU 116 3HD1 LEU 116 -0.029 15.864 7.253 836 HD21 LEU 116 3HD2 LEU 116 -0.335 16.013 3.765 837 HD22 LEU 116 1HD2 LEU 116 0.613 14.527 3.711 838 HD23 LEU 116 2HD2 LEU 116 1.128 15.864 4.739 839 H THR 117 H THR 117 1.549 11.868 8.259 840 HA THR 117 HA THR 117 1.293 13.512 10.691 841 HB THR 117 HB THR 117 0.476 11.292 11.717 842 HG1 THR 117 HG1 THR 117 0.498 9.686 10.344 843 HG21 THR 117 3HG2 THR 117 -0.847 13.421 10.739 844 HG22 THR 117 1HG2 THR 117 -1.653 12.035 11.472 845 HG23 THR 117 2HG2 THR 117 -1.523 12.153 9.717 846 H GLN 118 H GLN 118 3.749 13.610 10.229 847 HA GLN 118 HA GLN 118 5.278 11.276 10.889 848 HB2 GLN 118 2HB GLN 118 5.884 13.495 9.519 849 HB3 GLN 118 3HB GLN 118 6.495 13.979 11.096 850 HG2 GLN 118 2HG GLN 118 7.927 12.020 11.166 851 HG3 GLN 118 3HG GLN 118 7.290 11.484 9.613 852 HE21 GLN 118 1HE2 GLN 118 7.636 12.927 7.773 853 HE22 GLN 118 2HE2 GLN 118 9.092 13.856 7.710 854 H GLY 119 H GLY 119 5.686 10.519 12.854 855 HA2 GLY 119 2HA GLY 119 6.580 10.887 15.070 856 HA3 GLY 119 3HA GLY 119 5.715 12.416 15.111 857 H PHE 120 H PHE 120 3.211 11.546 14.196 858 HA PHE 120 HA PHE 120 2.131 10.512 16.619 859 HB2 PHE 120 2HB PHE 120 0.676 10.725 13.984 860 HB3 PHE 120 3HB PHE 120 -0.008 10.785 15.605 861 HD1 PHE 120 HD2 PHE 120 1.796 12.683 16.936 862 HD2 PHE 120 HD1 PHE 120 0.115 12.757 13.026 863 HE1 PHE 120 HE2 PHE 120 1.963 15.137 16.915 864 HE2 PHE 120 HE1 PHE 120 0.281 15.212 12.998 865 HZ PHE 120 HZ PHE 120 1.204 16.405 14.945 866 H GLN 121 H GLN 121 0.965 8.562 16.928 867 HA GLN 121 HA GLN 121 1.994 6.357 15.294 868 HB2 GLN 121 2HB GLN 121 0.865 6.476 18.086 869 HB3 GLN 121 3HB GLN 121 1.129 4.955 17.243 870 HG2 GLN 121 2HG GLN 121 3.273 4.963 17.778 871 HG3 GLN 121 3HG GLN 121 3.488 6.576 17.099 872 HE21 GLN 121 1HE2 GLN 121 1.721 5.276 19.890 873 HE22 GLN 121 2HE2 GLN 121 2.425 6.345 21.050 874 H GLY 122 H GLY 122 0.708 5.236 13.976 875 HA2 GLY 122 2HA GLY 122 -2.199 5.703 14.185 876 HA3 GLY 122 3HA GLY 122 -1.351 5.353 12.686 877 H ILE 123 H ILE 123 -3.485 4.060 14.678 878 HA ILE 123 HA ILE 123 -2.523 1.323 14.181 879 HB ILE 123 HB ILE 123 -4.087 2.144 16.628 880 HG12 ILE 123 2HG1 ILE 123 -1.732 1.380 17.644 881 HG13 ILE 123 3HG1 ILE 123 -1.161 1.999 16.098 882 HG21 ILE 123 1HG2 ILE 123 -4.325 -0.200 15.755 883 HG22 ILE 123 2HG2 ILE 123 -2.607 -0.420 16.084 884 HG23 ILE 123 3HG2 ILE 123 -3.720 -0.072 17.406 885 HD11 ILE 123 3HD1 ILE 123 -1.159 3.606 18.046 886 HD12 ILE 123 1HD1 ILE 123 -1.937 4.164 16.565 887 HD13 ILE 123 2HD1 ILE 123 -2.918 3.606 17.921 888 H GLN 124 H GLN 124 -3.999 -0.099 13.392 889 HA GLN 124 HA GLN 124 -6.713 0.947 12.928 890 HB2 GLN 124 2HB GLN 124 -6.773 -0.541 10.946 891 HB3 GLN 124 3HB GLN 124 -5.512 0.681 10.847 892 HG2 GLN 124 2HG GLN 124 -4.078 -0.937 10.393 893 HG3 GLN 124 3HG GLN 124 -4.294 -1.519 12.043 894 HE21 GLN 124 1HE2 GLN 124 -4.771 -3.580 12.174 895 HE22 GLN 124 2HE2 GLN 124 -5.649 -4.505 11.009 896 H ALA 125 H ALA 125 -8.218 -0.004 14.114 897 HA ALA 125 HA ALA 125 -8.189 -2.899 14.441 898 HB1 ALA 125 1HB ALA 125 -8.792 -2.476 16.936 899 HB2 ALA 125 2HB ALA 125 -7.101 -2.483 16.432 900 HB3 ALA 125 3HB ALA 125 -7.937 -0.953 16.693 901 H ASN 126 H ASN 126 -10.200 -3.785 14.534 902 HA ASN 126 HA ASN 126 -12.443 -1.936 14.197 903 HB2 ASN 126 2HB ASN 126 -13.551 -3.614 13.025 904 HB3 ASN 126 3HB ASN 126 -11.869 -3.912 12.596 905 HD21 ASN 126 1HD2 ASN 126 -14.403 -5.592 12.931 906 HD22 ASN 126 2HD2 ASN 126 -13.866 -6.947 13.859 907 H ASP 127 H ASP 127 -14.438 -2.277 15.309 908 HA ASP 127 HA ASP 127 -15.734 -2.653 17.141 909 HB2 ASP 127 2HB ASP 127 -14.715 -5.102 16.524 910 HB3 ASP 127 3HB ASP 127 -14.149 -4.913 18.181 911 H ALA 128 H ALA 128 -15.058 -3.633 19.695 912 HA ALA 128 HA ALA 128 -14.133 -1.369 20.979 913 HB1 ALA 128 1HB ALA 128 -13.450 -3.725 22.492 914 HB2 ALA 128 2HB ALA 128 -14.696 -2.514 22.798 915 HB3 ALA 128 3HB ALA 128 -15.042 -3.889 21.749 916 H SER 129 H SER 129 -12.332 -3.915 19.470 917 HA SER 129 HA SER 129 -9.876 -3.662 20.783 918 HB2 SER 129 2HB SER 129 -10.863 -5.143 18.640 919 HB3 SER 129 3HB SER 129 -9.570 -4.172 17.934 920 HG SER 129 HG SER 129 -9.111 -6.335 19.040 921 H GLY 130 H GLY 130 -11.451 -1.593 18.515 922 HA2 GLY 130 2HA GLY 130 -8.982 0.014 18.279 923 HA3 GLY 130 3HA GLY 130 -10.235 -0.038 17.048 924 H LEU 131 H LEU 131 -10.989 0.105 20.454 925 HA LEU 131 HA LEU 131 -11.463 2.975 20.345 926 HB2 LEU 131 2HB LEU 131 -13.681 1.073 21.071 927 HB3 LEU 131 3HB LEU 131 -13.772 2.830 20.961 928 HG LEU 131 HG LEU 131 -13.220 1.069 18.582 929 HD11 LEU 131 1HD1 LEU 131 -15.877 2.242 18.767 930 HD12 LEU 131 2HD1 LEU 131 -15.564 1.032 20.010 931 HD13 LEU 131 3HD1 LEU 131 -15.385 0.612 18.307 932 HD21 LEU 131 3HD2 LEU 131 -13.636 2.969 17.288 933 HD22 LEU 131 1HD2 LEU 131 -12.654 3.567 18.626 934 HD23 LEU 131 2HD2 LEU 131 -14.398 3.828 18.628 935 H ASP 132 H ASP 132 -9.893 0.816 21.853 936 HA ASP 132 HA ASP 132 -10.865 0.934 24.546 937 HB2 ASP 132 2HB ASP 132 -8.314 -0.042 23.281 938 HB3 ASP 132 3HB ASP 132 -8.500 0.023 25.031 939 H PHE 133 H PHE 133 -11.035 3.022 25.247 940 HA PHE 133 HA PHE 133 -9.319 5.133 24.787 941 HB2 PHE 133 2HB PHE 133 -11.539 5.320 25.879 942 HB3 PHE 133 3HB PHE 133 -10.857 4.611 27.339 943 HD1 PHE 133 HD2 PHE 133 -9.304 5.867 28.725 944 HD2 PHE 133 HD1 PHE 133 -11.062 7.589 25.252 945 HE1 PHE 133 HE2 PHE 133 -8.628 8.104 29.496 946 HE2 PHE 133 HE1 PHE 133 -10.388 9.828 26.017 947 HZ PHE 133 HZ PHE 133 -9.170 10.088 28.142 948 H GLU 134 H GLU 134 -9.125 2.623 27.261 949 HA GLU 134 HA GLU 134 -6.945 3.747 28.679 950 HB2 GLU 134 2HB GLU 134 -8.591 1.883 29.398 951 HB3 GLU 134 3HB GLU 134 -7.504 0.797 28.543 952 HG2 GLU 134 2HG GLU 134 -5.810 1.070 30.057 953 HG3 GLU 134 3HG GLU 134 -6.368 2.665 30.560 954 H GLU 135 H GLU 135 -7.188 1.690 25.863 955 HA GLU 135 HA GLU 135 -4.466 0.865 25.818 956 HB2 GLU 135 2HB GLU 135 -6.157 -0.405 24.628 957 HB3 GLU 135 3HB GLU 135 -6.540 0.986 23.623 958 HG2 GLU 135 2HG GLU 135 -4.420 0.878 22.537 959 HG3 GLU 135 3HG GLU 135 -3.849 -0.353 23.662 960 H ILE 136 H ILE 136 -6.265 3.405 24.105 961 HA ILE 136 HA ILE 136 -4.039 4.390 22.659 962 HB ILE 136 HB ILE 136 -5.457 6.462 22.384 963 HG12 ILE 136 2HG1 ILE 136 -7.507 4.797 23.859 964 HG13 ILE 136 3HG1 ILE 136 -6.684 6.197 24.538 965 HG21 ILE 136 1HG2 ILE 136 -5.499 4.713 20.730 966 HG22 ILE 136 2HG2 ILE 136 -6.643 3.779 21.693 967 HG23 ILE 136 3HG2 ILE 136 -7.140 5.311 20.975 968 HD11 ILE 136 3HD1 ILE 136 -8.608 7.178 23.849 969 HD12 ILE 136 1HD1 ILE 136 -7.654 7.360 22.376 970 HD13 ILE 136 2HD1 ILE 136 -8.834 6.056 22.508 971 H SER 137 H SER 137 -5.443 5.206 25.785 972 HA SER 137 HA SER 137 -3.910 7.541 26.242 973 HB2 SER 137 2HB SER 137 -4.623 7.332 28.568 974 HB3 SER 137 3HB SER 137 -5.980 6.998 27.491 975 HG SER 137 HG SER 137 -5.281 5.490 29.399 976 H ARG 138 H ARG 138 -3.436 4.142 27.116 977 HA ARG 138 HA ARG 138 -1.049 4.574 28.597 978 HB2 ARG 138 2HB ARG 138 -2.447 2.573 28.892 979 HB3 ARG 138 3HB ARG 138 -2.059 2.060 27.255 980 HG2 ARG 138 2HG ARG 138 0.239 2.575 29.029 981 HG3 ARG 138 3HG ARG 138 -0.769 1.183 29.432 982 HD2 ARG 138 2HD ARG 138 -0.538 0.745 26.825 983 HD3 ARG 138 3HD ARG 138 0.942 1.675 27.055 984 HE ARG 138 HE ARG 138 1.847 -0.106 28.177 985 HH11 ARG 138 1HH1 ARG 138 -1.594 -0.553 27.897 986 HH12 ARG 138 2HH1 ARG 138 -1.563 -2.178 28.498 987 HH21 ARG 138 1HH2 ARG 138 1.901 -2.245 28.969 988 HH22 ARG 138 2HH2 ARG 138 0.425 -3.139 29.108 989 H LYS 139 H LYS 139 -1.749 3.920 25.224 990 HA LYS 139 HA LYS 139 0.896 3.306 24.421 991 HB2 LYS 139 2HB LYS 139 -1.674 3.875 23.112 992 HB3 LYS 139 3HB LYS 139 -0.265 4.352 22.173 993 HG2 LYS 139 2HG LYS 139 0.546 2.162 22.059 994 HG3 LYS 139 3HG LYS 139 -0.496 1.616 23.375 995 HD2 LYS 139 2HD LYS 139 -2.385 1.568 22.029 996 HD3 LYS 139 3HD LYS 139 -1.696 2.689 20.852 997 HE2 LYS 139 2HE LYS 139 -1.673 0.581 19.803 998 HE3 LYS 139 3HE LYS 139 -0.012 0.866 20.321 999 HZ1 LYS 139 3HZ LYS 139 -0.077 -0.980 21.515 1000 HZ2 LYS 139 1HZ LYS 139 -1.634 -1.303 20.935 1001 HZ3 LYS 139 2HZ LYS 139 -1.429 -0.440 22.376 1002 H VAL 140 H VAL 140 -0.997 6.316 24.284 1003 HA VAL 140 HA VAL 140 1.095 7.887 23.189 1004 HB VAL 140 HB VAL 140 -1.266 8.554 23.036 1005 HG11 VAL 140 1HG1 VAL 140 -2.461 9.434 24.935 1006 HG12 VAL 140 2HG1 VAL 140 -1.921 7.794 25.302 1007 HG13 VAL 140 3HG1 VAL 140 -1.063 9.179 25.979 1008 HG21 VAL 140 3HG2 VAL 140 -0.769 10.761 22.968 1009 HG22 VAL 140 1HG2 VAL 140 -0.119 10.776 24.607 1010 HG23 VAL 140 2HG2 VAL 140 0.865 10.172 23.273 1011 H LYS 141 H LYS 141 0.051 7.185 26.479 1012 HA LYS 141 HA LYS 141 1.596 9.102 27.822 1013 HB2 LYS 141 2HB LYS 141 -0.249 7.678 28.796 1014 HB3 LYS 141 3HB LYS 141 0.904 6.351 28.858 1015 HG2 LYS 141 2HG LYS 141 2.278 7.521 30.417 1016 HG3 LYS 141 3HG LYS 141 1.328 8.996 30.228 1017 HD2 LYS 141 2HD LYS 141 0.168 8.308 32.009 1018 HD3 LYS 141 3HD LYS 141 -0.554 7.106 30.938 1019 HE2 LYS 141 2HE LYS 141 0.230 5.668 32.493 1020 HE3 LYS 141 3HE LYS 141 1.726 5.838 31.577 1021 HZ1 LYS 141 3HZ LYS 141 1.701 7.926 33.378 1022 HZ2 LYS 141 1HZ LYS 141 2.663 6.535 33.443 1023 HZ3 LYS 141 2HZ LYS 141 1.182 6.578 34.258 1024 H SER 142 H SER 142 2.387 5.914 26.586 1025 HA SER 142 HA SER 142 5.017 5.939 27.809 1026 HB2 SER 142 2HB SER 142 3.616 3.843 27.492 1027 HB3 SER 142 3HB SER 142 3.976 3.968 25.770 1028 HG SER 142 HG SER 142 5.754 3.518 27.918 1029 H ASN 143 H ASN 143 3.558 6.443 24.655 1030 HA ASN 143 HA ASN 143 4.388 7.183 22.669 1031 HB2 ASN 143 2HB ASN 143 4.875 9.166 24.042 1032 HB3 ASN 143 3HB ASN 143 6.441 8.485 24.472 1033 HD21 ASN 143 1HD2 ASN 143 4.703 8.659 21.390 1034 HD22 ASN 143 2HD2 ASN 143 5.949 9.501 20.539 1035 H ARG 144 H ARG 144 4.987 4.722 22.662 1036 HA ARG 144 HA ARG 144 7.865 4.528 22.061 1037 HB2 ARG 144 2HB ARG 144 7.768 2.165 22.716 1038 HB3 ARG 144 3HB ARG 144 7.324 3.221 24.050 1039 HG2 ARG 144 2HG ARG 144 5.184 2.485 24.106 1040 HG3 ARG 144 3HG ARG 144 5.120 2.199 22.366 1041 HD2 ARG 144 2HD ARG 144 5.035 0.124 23.738 1042 HD3 ARG 144 3HD ARG 144 6.370 0.170 22.588 1043 HE ARG 144 HE ARG 144 7.207 1.155 25.102 1044 HH11 ARG 144 1HH1 ARG 144 6.380 -1.801 23.460 1045 HH12 ARG 144 2HH1 ARG 144 7.390 -2.792 24.460 1046 HH21 ARG 144 1HH2 ARG 144 8.541 -0.139 26.425 1047 HH22 ARG 144 2HH2 ARG 144 8.618 -1.846 26.147 Start of MODEL 18 1 H MET 9 H MET 9 -7.036 -2.334 -9.528 2 HA MET 9 HA MET 9 -9.620 -1.742 -8.322 3 HB2 MET 9 2HB MET 9 -8.669 -3.967 -9.580 4 HB3 MET 9 3HB MET 9 -8.436 -4.404 -7.893 5 HG2 MET 9 2HG MET 9 -10.559 -5.217 -8.552 6 HG3 MET 9 3HG MET 9 -10.830 -3.834 -7.493 7 HE1 MET 9 3HE MET 9 -13.479 -2.450 -8.844 8 HE2 MET 9 1HE MET 9 -12.127 -2.282 -7.723 9 HE3 MET 9 2HE MET 9 -12.256 -1.208 -9.115 10 H ALA 10 H ALA 10 -6.459 -3.031 -7.310 11 HA ALA 10 HA ALA 10 -7.082 -3.017 -4.537 12 HB1 ALA 10 1HB ALA 10 -5.299 -4.341 -4.609 13 HB2 ALA 10 2HB ALA 10 -4.837 -3.738 -6.201 14 HB3 ALA 10 3HB ALA 10 -4.311 -2.887 -4.749 15 H MET 11 H MET 11 -4.482 -1.132 -6.064 16 HA MET 11 HA MET 11 -5.083 1.053 -4.199 17 HB2 MET 11 2HB MET 11 -2.593 0.638 -5.860 18 HB3 MET 11 3HB MET 11 -2.818 1.820 -4.578 19 HG2 MET 11 2HG MET 11 -2.829 0.158 -2.909 20 HG3 MET 11 3HG MET 11 -3.004 -1.134 -4.094 21 HE1 MET 11 3HE MET 11 -1.564 -2.488 -4.639 22 HE2 MET 11 1HE MET 11 0.119 -2.247 -5.108 23 HE3 MET 11 2HE MET 11 -0.284 -2.622 -3.433 24 H SER 12 H SER 12 -6.495 2.430 -5.095 25 HA SER 12 HA SER 12 -6.576 2.951 -7.913 26 HB2 SER 12 2HB SER 12 -8.052 4.951 -6.622 27 HB3 SER 12 3HB SER 12 -8.677 3.451 -7.306 28 HG SER 12 HG SER 12 -9.099 2.846 -5.351 29 H GLY 13 H GLY 13 -6.352 5.348 -5.291 30 HA2 GLY 13 2HA GLY 13 -3.876 6.441 -6.042 31 HA3 GLY 13 3HA GLY 13 -5.143 7.317 -6.888 32 H VAL 14 H VAL 14 -5.537 5.942 -3.687 33 HA VAL 14 HA VAL 14 -6.647 8.181 -2.525 34 HB VAL 14 HB VAL 14 -6.632 5.888 -1.535 35 HG11 VAL 14 1HG1 VAL 14 -4.026 5.816 -1.849 36 HG12 VAL 14 2HG1 VAL 14 -4.029 6.511 -0.227 37 HG13 VAL 14 3HG1 VAL 14 -4.800 4.952 -0.521 38 HG21 VAL 14 3HG2 VAL 14 -5.683 7.336 0.765 39 HG22 VAL 14 1HG2 VAL 14 -6.662 8.380 -0.267 40 HG23 VAL 14 2HG2 VAL 14 -7.328 6.864 0.340 41 H SER 15 H SER 15 -5.914 9.998 -1.562 42 HA SER 15 HA SER 15 -3.106 10.303 -0.901 43 HB2 SER 15 2HB SER 15 -4.107 11.222 -3.399 44 HB3 SER 15 3HB SER 15 -3.799 12.640 -2.397 45 HG SER 15 HG SER 15 -1.985 11.747 -3.693 46 H VAL 16 H VAL 16 -2.746 11.807 0.675 47 HA VAL 16 HA VAL 16 -5.019 12.713 2.155 48 HB VAL 16 HB VAL 16 -3.000 12.024 3.324 49 HG11 VAL 16 1HG1 VAL 16 -1.640 13.345 1.351 50 HG12 VAL 16 2HG1 VAL 16 -1.433 14.419 2.736 51 HG13 VAL 16 3HG1 VAL 16 -0.931 12.731 2.844 52 HG21 VAL 16 3HG2 VAL 16 -4.398 14.471 3.748 53 HG22 VAL 16 1HG2 VAL 16 -3.683 13.384 4.940 54 HG23 VAL 16 2HG2 VAL 16 -2.719 14.685 4.242 55 H ALA 17 H ALA 17 -6.069 14.579 1.985 56 HA ALA 17 HA ALA 17 -5.199 16.563 0.085 57 HB1 ALA 17 1HB ALA 17 -7.519 16.126 0.097 58 HB2 ALA 17 2HB ALA 17 -7.625 16.327 1.846 59 HB3 ALA 17 3HB ALA 17 -7.324 17.725 0.815 60 H ASP 18 H ASP 18 -4.919 18.811 0.563 61 HA ASP 18 HA ASP 18 -3.148 19.358 2.628 62 HB2 ASP 18 2HB ASP 18 -4.693 20.962 0.686 63 HB3 ASP 18 3HB ASP 18 -4.158 21.826 2.125 64 H GLU 19 H GLU 19 -6.646 19.577 2.543 65 HA GLU 19 HA GLU 19 -7.089 21.111 4.827 66 HB2 GLU 19 2HB GLU 19 -9.296 19.999 4.929 67 HB3 GLU 19 3HB GLU 19 -8.893 20.557 3.311 68 HG2 GLU 19 2HG GLU 19 -8.189 18.255 2.741 69 HG3 GLU 19 3HG GLU 19 -8.738 17.732 4.332 70 H CYS 20 H CYS 20 -6.552 17.632 4.484 71 HA CYS 20 HA CYS 20 -7.017 16.957 7.185 72 HB2 CYS 20 2HB CYS 20 -5.188 15.518 5.256 73 HB3 CYS 20 3HB CYS 20 -5.989 14.840 6.668 74 HG CYS 20 HG CYS 20 -7.853 13.847 5.212 75 H VAL 21 H VAL 21 -4.055 17.764 5.412 76 HA VAL 21 HA VAL 21 -2.217 17.302 7.463 77 HB VAL 21 HB VAL 21 -1.991 19.465 5.369 78 HG11 VAL 21 1HG1 VAL 21 0.427 19.014 5.585 79 HG12 VAL 21 2HG1 VAL 21 -0.292 19.606 7.084 80 HG13 VAL 21 3HG1 VAL 21 0.078 17.891 6.899 81 HG21 VAL 21 3HG2 VAL 21 -2.373 17.680 3.996 82 HG22 VAL 21 1HG2 VAL 21 -0.640 17.478 4.257 83 HG23 VAL 21 2HG2 VAL 21 -1.789 16.506 5.175 84 H THR 22 H THR 22 -3.803 20.352 6.525 85 HA THR 22 HA THR 22 -2.699 21.944 8.546 86 HB THR 22 HB THR 22 -5.447 22.332 7.354 87 HG1 THR 22 HG1 THR 22 -4.289 23.534 5.730 88 HG21 THR 22 3HG2 THR 22 -3.779 23.865 9.124 89 HG22 THR 22 1HG2 THR 22 -5.419 24.199 8.571 90 HG23 THR 22 2HG2 THR 22 -4.039 24.748 7.620 91 H ALA 23 H ALA 23 -5.736 20.108 8.464 92 HA ALA 23 HA ALA 23 -6.759 20.910 10.933 93 HB1 ALA 23 1HB ALA 23 -7.947 18.658 10.862 94 HB2 ALA 23 2HB ALA 23 -8.219 19.753 9.505 95 HB3 ALA 23 3HB ALA 23 -7.109 18.394 9.332 96 H LEU 24 H LEU 24 -4.456 18.364 10.121 97 HA LEU 24 HA LEU 24 -4.356 17.200 12.706 98 HB2 LEU 24 2HB LEU 24 -2.658 17.085 10.258 99 HB3 LEU 24 3HB LEU 24 -2.026 16.439 11.771 100 HG LEU 24 HG LEU 24 -4.704 15.512 10.871 101 HD11 LEU 24 1HD1 LEU 24 -3.090 15.515 8.884 102 HD12 LEU 24 2HD1 LEU 24 -3.898 14.000 9.287 103 HD13 LEU 24 3HD1 LEU 24 -2.218 14.256 9.760 104 HD21 LEU 24 3HD2 LEU 24 -2.400 14.482 12.464 105 HD22 LEU 24 1HD2 LEU 24 -3.526 13.343 11.725 106 HD23 LEU 24 2HD2 LEU 24 -4.114 14.545 12.875 107 H ASN 25 H ASN 25 -2.254 19.535 11.040 108 HA ASN 25 HA ASN 25 -0.385 19.882 13.084 109 HB2 ASN 25 2HB ASN 25 -1.170 21.317 10.646 110 HB3 ASN 25 3HB ASN 25 -0.487 22.356 11.894 111 HD21 ASN 25 1HD2 ASN 25 1.580 21.590 12.850 112 HD22 ASN 25 2HD2 ASN 25 2.728 20.856 11.788 113 H ASP 26 H ASP 26 -3.533 21.354 12.569 114 HA ASP 26 HA ASP 26 -3.270 23.319 14.619 115 HB2 ASP 26 2HB ASP 26 -5.249 22.538 12.673 116 HB3 ASP 26 3HB ASP 26 -6.007 22.773 14.246 117 H LEU 27 H LEU 27 -4.909 20.168 14.444 118 HA LEU 27 HA LEU 27 -5.997 20.125 16.999 119 HB2 LEU 27 2HB LEU 27 -5.998 18.428 14.909 120 HB3 LEU 27 3HB LEU 27 -4.894 17.580 15.990 121 HG LEU 27 HG LEU 27 -6.964 18.121 17.668 122 HD11 LEU 27 1HD1 LEU 27 -8.597 17.087 15.520 123 HD12 LEU 27 2HD1 LEU 27 -8.006 18.710 15.163 124 HD13 LEU 27 3HD1 LEU 27 -8.914 18.409 16.644 125 HD21 LEU 27 3HD2 LEU 27 -7.348 15.830 17.651 126 HD22 LEU 27 1HD2 LEU 27 -5.691 15.962 17.061 127 HD23 LEU 27 2HD2 LEU 27 -7.011 15.685 15.925 128 H ARG 28 H ARG 28 -2.798 19.045 15.905 129 HA ARG 28 HA ARG 28 -1.927 18.109 18.428 130 HB2 ARG 28 2HB ARG 28 0.282 18.038 17.457 131 HB3 ARG 28 3HB ARG 28 -0.884 17.481 16.264 132 HG2 ARG 28 2HG ARG 28 -0.716 19.460 15.014 133 HG3 ARG 28 3HG ARG 28 0.091 20.317 16.329 134 HD2 ARG 28 2HD ARG 28 1.519 17.920 15.510 135 HD3 ARG 28 3HD ARG 28 1.315 19.070 14.189 136 HE ARG 28 HE ARG 28 2.201 20.435 16.482 137 HH11 ARG 28 1HH1 ARG 28 3.328 18.165 14.095 138 HH12 ARG 28 2HH1 ARG 28 4.984 18.661 14.216 139 HH21 ARG 28 1HH2 ARG 28 4.378 21.096 16.650 140 HH22 ARG 28 2HH2 ARG 28 5.580 20.327 15.670 141 H HIS 29 H HIS 29 -2.144 21.259 17.030 142 HA HIS 29 HA HIS 29 -0.360 22.433 19.017 143 HB2 HIS 29 2HB HIS 29 -1.309 23.185 16.399 144 HB3 HIS 29 3HB HIS 29 -1.619 24.479 17.553 145 HD1 HIS 29 HD1 HIS 29 1.279 22.333 16.363 146 HD2 HIS 29 HD2 HIS 29 0.537 26.049 18.066 147 HE1 HIS 29 HE1 HIS 29 3.503 23.506 16.412 148 H LYS 30 H LYS 30 -3.135 21.208 19.489 149 HA LYS 30 HA LYS 30 -4.884 21.560 20.900 150 HB2 LYS 30 2HB LYS 30 -3.411 24.024 21.832 151 HB3 LYS 30 3HB LYS 30 -4.603 23.088 22.724 152 HG2 LYS 30 2HG LYS 30 -3.082 21.232 22.905 153 HG3 LYS 30 3HG LYS 30 -1.903 22.055 21.881 154 HD2 LYS 30 2HD LYS 30 -1.860 23.892 23.609 155 HD3 LYS 30 3HD LYS 30 -2.807 22.826 24.650 156 HE2 LYS 30 2HE LYS 30 -1.063 21.205 24.705 157 HE3 LYS 30 3HE LYS 30 -0.166 22.037 23.435 158 HZ1 LYS 30 3HZ LYS 30 0.086 22.379 26.170 159 HZ2 LYS 30 1HZ LYS 30 -0.641 23.795 25.596 160 HZ3 LYS 30 2HZ LYS 30 0.835 23.280 24.950 161 H LYS 31 H LYS 31 -5.302 22.415 18.354 162 HA LYS 31 HA LYS 31 -6.273 25.121 18.298 163 HB2 LYS 31 2HB LYS 31 -5.416 24.191 16.254 164 HB3 LYS 31 3HB LYS 31 -6.518 22.824 16.353 165 HG2 LYS 31 2HG LYS 31 -8.003 25.275 16.385 166 HG3 LYS 31 3HG LYS 31 -6.902 25.248 15.006 167 HD2 LYS 31 2HD LYS 31 -7.893 22.730 14.911 168 HD3 LYS 31 3HD LYS 31 -9.279 23.604 15.569 169 HE2 LYS 31 2HE LYS 31 -9.771 24.236 13.496 170 HE3 LYS 31 3HE LYS 31 -8.303 25.211 13.504 171 HZ1 LYS 31 3HZ LYS 31 -7.242 23.771 12.177 172 HZ2 LYS 31 1HZ LYS 31 -8.795 23.243 11.761 173 HZ3 LYS 31 2HZ LYS 31 -7.901 22.405 12.927 174 H SER 32 H SER 32 -8.056 22.160 17.464 175 HA SER 32 HA SER 32 -10.415 23.315 18.784 176 HB2 SER 32 2HB SER 32 -10.017 21.892 16.293 177 HB3 SER 32 3HB SER 32 -11.227 21.086 17.290 178 HG SER 32 HG SER 32 -11.357 23.868 17.015 179 H ARG 33 H ARG 33 -9.603 19.954 17.990 180 HA ARG 33 HA ARG 33 -9.031 19.048 20.561 181 HB2 ARG 33 2HB ARG 33 -11.761 19.690 20.270 182 HB3 ARG 33 3HB ARG 33 -11.665 17.934 20.232 183 HG2 ARG 33 2HG ARG 33 -10.466 19.665 22.383 184 HG3 ARG 33 3HG ARG 33 -12.031 18.855 22.492 185 HD2 ARG 33 2HD ARG 33 -11.083 16.905 23.014 186 HD3 ARG 33 3HD ARG 33 -9.923 17.036 21.692 187 HE ARG 33 HE ARG 33 -8.930 18.744 23.526 188 HH11 ARG 33 1HH1 ARG 33 -9.980 15.429 23.701 189 HH12 ARG 33 2HH1 ARG 33 -8.876 15.010 24.968 190 HH21 ARG 33 1HH2 ARG 33 -7.472 18.204 25.194 191 HH22 ARG 33 2HH2 ARG 33 -7.450 16.589 25.817 192 H TYR 34 H TYR 34 -11.271 17.870 18.044 193 HA TYR 34 HA TYR 34 -9.309 15.858 17.261 194 HB2 TYR 34 2HB TYR 34 -11.448 14.249 17.270 195 HB3 TYR 34 3HB TYR 34 -10.369 14.393 18.653 196 HD1 TYR 34 HD2 TYR 34 -13.290 16.311 17.307 197 HD2 TYR 34 HD1 TYR 34 -11.457 14.469 20.676 198 HE1 TYR 34 HE2 TYR 34 -15.190 17.000 18.710 199 HE2 TYR 34 HE1 TYR 34 -13.352 15.151 22.088 200 HH TYR 34 HH TYR 34 -15.119 16.861 22.097 201 H VAL 35 H VAL 35 -9.721 14.908 15.203 202 HA VAL 35 HA VAL 35 -11.898 16.039 13.621 203 HB VAL 35 HB VAL 35 -10.113 17.629 13.244 204 HG11 VAL 35 1HG1 VAL 35 -8.396 15.377 12.228 205 HG12 VAL 35 2HG1 VAL 35 -7.938 17.058 12.509 206 HG13 VAL 35 3HG1 VAL 35 -8.287 15.997 13.875 207 HG21 VAL 35 3HG2 VAL 35 -10.065 17.592 10.880 208 HG22 VAL 35 1HG2 VAL 35 -10.206 15.835 10.831 209 HG23 VAL 35 2HG2 VAL 35 -11.578 16.815 11.345 210 H ILE 36 H ILE 36 -12.807 14.490 12.449 211 HA ILE 36 HA ILE 36 -11.235 12.071 11.864 212 HB ILE 36 HB ILE 36 -14.242 12.283 11.875 213 HG12 ILE 36 2HG1 ILE 36 -12.400 11.347 14.087 214 HG13 ILE 36 3HG1 ILE 36 -13.387 12.805 14.113 215 HG21 ILE 36 1HG2 ILE 36 -12.410 9.893 12.024 216 HG22 ILE 36 2HG2 ILE 36 -14.172 9.861 11.978 217 HG23 ILE 36 3HG2 ILE 36 -13.264 10.436 10.580 218 HD11 ILE 36 3HD1 ILE 36 -15.371 11.202 13.787 219 HD12 ILE 36 1HD1 ILE 36 -14.241 9.948 14.300 220 HD13 ILE 36 2HD1 ILE 36 -14.607 11.299 15.374 221 H MET 37 H MET 37 -10.989 11.376 9.811 222 HA MET 37 HA MET 37 -12.548 12.673 7.691 223 HB2 MET 37 2HB MET 37 -9.548 12.312 7.612 224 HB3 MET 37 3HB MET 37 -10.545 12.994 6.334 225 HG2 MET 37 2HG MET 37 -10.321 15.003 7.216 226 HG3 MET 37 3HG MET 37 -11.065 14.443 8.712 227 HE1 MET 37 3HE MET 37 -9.678 13.118 10.556 228 HE2 MET 37 1HE MET 37 -8.693 12.158 9.451 229 HE3 MET 37 2HE MET 37 -7.919 13.148 10.688 230 H HIS 38 H HIS 38 -12.593 11.491 5.683 231 HA HIS 38 HA HIS 38 -11.777 8.676 5.907 232 HB2 HIS 38 2HB HIS 38 -13.884 7.891 5.109 233 HB3 HIS 38 3HB HIS 38 -14.228 9.000 6.433 234 HD1 HIS 38 HD1 HIS 38 -15.766 8.159 3.524 235 HD2 HIS 38 HD2 HIS 38 -14.368 11.818 4.909 236 HE1 HIS 38 HE1 HIS 38 -17.056 9.899 2.247 237 H ILE 39 H ILE 39 -11.938 7.549 3.735 238 HA ILE 39 HA ILE 39 -10.612 9.218 1.771 239 HB ILE 39 HB ILE 39 -11.267 6.283 1.539 240 HG12 ILE 39 2HG1 ILE 39 -8.801 7.607 2.689 241 HG13 ILE 39 3HG1 ILE 39 -9.987 6.668 3.588 242 HG21 ILE 39 1HG2 ILE 39 -9.391 6.264 -0.036 243 HG22 ILE 39 2HG2 ILE 39 -10.663 7.369 -0.553 244 HG23 ILE 39 3HG2 ILE 39 -9.192 8.002 0.185 245 HD11 ILE 39 3HD1 ILE 39 -8.603 4.958 3.276 246 HD12 ILE 39 1HD1 ILE 39 -9.218 4.927 1.623 247 HD13 ILE 39 2HD1 ILE 39 -7.723 5.788 1.992 248 H VAL 40 H VAL 40 -11.640 10.212 0.178 249 HA VAL 40 HA VAL 40 -14.330 9.298 -0.568 250 HB VAL 40 HB VAL 40 -13.009 11.944 -1.184 251 HG11 VAL 40 1HG1 VAL 40 -14.678 11.473 -2.815 252 HG12 VAL 40 2HG1 VAL 40 -15.814 10.921 -1.583 253 HG13 VAL 40 3HG1 VAL 40 -15.372 12.627 -1.676 254 HG21 VAL 40 3HG2 VAL 40 -14.791 12.731 0.514 255 HG22 VAL 40 1HG2 VAL 40 -14.784 11.053 1.057 256 HG23 VAL 40 2HG2 VAL 40 -13.302 12.007 1.121 257 H ASP 41 H ASP 41 -14.735 8.475 -2.524 258 HA ASP 41 HA ASP 41 -14.439 7.715 -4.647 259 HB2 ASP 41 2HB ASP 41 -13.606 10.394 -4.672 260 HB3 ASP 41 3HB ASP 41 -12.358 9.510 -5.546 261 H GLN 42 H GLN 42 -12.471 7.130 -2.341 262 HA GLN 42 HA GLN 42 -10.546 5.954 -1.987 263 HB2 GLN 42 2HB GLN 42 -11.323 4.731 -4.641 264 HB3 GLN 42 3HB GLN 42 -10.242 4.016 -3.451 265 HG2 GLN 42 2HG GLN 42 -12.104 2.917 -2.845 266 HG3 GLN 42 3HG GLN 42 -12.401 4.385 -1.915 267 HE21 GLN 42 1HE2 GLN 42 -14.540 4.602 -1.964 268 HE22 GLN 42 2HE2 GLN 42 -15.505 4.661 -3.396 269 H LYS 43 H LYS 43 -10.245 8.487 -3.380 270 HA LYS 43 HA LYS 43 -7.608 7.986 -4.539 271 HB2 LYS 43 2HB LYS 43 -9.519 8.270 -6.304 272 HB3 LYS 43 3HB LYS 43 -9.408 9.973 -5.881 273 HG2 LYS 43 2HG LYS 43 -6.789 8.900 -6.363 274 HG3 LYS 43 3HG LYS 43 -7.856 8.565 -7.729 275 HD2 LYS 43 2HD LYS 43 -8.407 10.902 -7.934 276 HD3 LYS 43 3HD LYS 43 -7.499 11.283 -6.468 277 HE2 LYS 43 2HE LYS 43 -5.488 10.265 -7.715 278 HE3 LYS 43 3HE LYS 43 -6.474 10.456 -9.163 279 HZ1 LYS 43 3HZ LYS 43 -5.205 12.484 -7.500 280 HZ2 LYS 43 1HZ LYS 43 -6.726 12.870 -8.133 281 HZ3 LYS 43 2HZ LYS 43 -5.457 12.457 -9.172 282 H SER 44 H SER 44 -9.958 10.341 -3.345 283 HA SER 44 HA SER 44 -7.708 11.933 -2.307 284 HB2 SER 44 2HB SER 44 -8.592 13.277 -4.041 285 HB3 SER 44 3HB SER 44 -10.255 12.873 -3.618 286 HG SER 44 HG SER 44 -8.657 14.844 -2.653 287 H ILE 45 H ILE 45 -7.720 12.215 -0.177 288 HA ILE 45 HA ILE 45 -9.929 11.213 1.387 289 HB ILE 45 HB ILE 45 -7.378 12.523 2.332 290 HG12 ILE 45 2HG1 ILE 45 -8.042 9.583 2.069 291 HG13 ILE 45 3HG1 ILE 45 -6.998 10.479 0.971 292 HG21 ILE 45 1HG2 ILE 45 -9.375 10.803 3.798 293 HG22 ILE 45 2HG2 ILE 45 -7.871 11.437 4.463 294 HG23 ILE 45 3HG2 ILE 45 -9.163 12.543 3.997 295 HD11 ILE 45 3HD1 ILE 45 -6.434 9.346 3.591 296 HD12 ILE 45 1HD1 ILE 45 -5.341 9.768 2.274 297 HD13 ILE 45 2HD1 ILE 45 -5.879 11.010 3.405 298 H ALA 46 H ALA 46 -11.468 12.365 2.376 299 HA ALA 46 HA ALA 46 -11.125 15.276 2.607 300 HB1 ALA 46 1HB ALA 46 -12.641 14.327 0.654 301 HB2 ALA 46 2HB ALA 46 -13.831 14.245 1.953 302 HB3 ALA 46 3HB ALA 46 -13.075 15.786 1.545 303 H VAL 47 H VAL 47 -12.545 16.279 4.199 304 HA VAL 47 HA VAL 47 -12.682 14.721 6.596 305 HB VAL 47 HB VAL 47 -13.604 16.765 7.630 306 HG11 VAL 47 1HG1 VAL 47 -11.078 16.687 6.108 307 HG12 VAL 47 2HG1 VAL 47 -11.579 18.271 6.703 308 HG13 VAL 47 3HG1 VAL 47 -11.360 16.932 7.831 309 HG21 VAL 47 3HG2 VAL 47 -14.248 17.392 4.918 310 HG22 VAL 47 1HG2 VAL 47 -14.714 18.237 6.393 311 HG23 VAL 47 2HG2 VAL 47 -13.210 18.657 5.574 312 H LYS 48 H LYS 48 -14.425 13.880 7.629 313 HA LYS 48 HA LYS 48 -16.976 13.949 6.162 314 HB2 LYS 48 2HB LYS 48 -15.557 11.759 6.795 315 HB3 LYS 48 3HB LYS 48 -16.507 11.908 8.267 316 HG2 LYS 48 2HG LYS 48 -18.538 12.062 6.718 317 HG3 LYS 48 3HG LYS 48 -17.456 11.457 5.462 318 HD2 LYS 48 2HD LYS 48 -17.308 9.386 6.396 319 HD3 LYS 48 3HD LYS 48 -17.485 9.998 8.043 320 HE2 LYS 48 2HE LYS 48 -19.462 8.807 7.625 321 HE3 LYS 48 3HE LYS 48 -19.904 10.501 7.418 322 HZ1 LYS 48 3HZ LYS 48 -20.734 8.923 5.669 323 HZ2 LYS 48 1HZ LYS 48 -19.133 8.763 5.147 324 HZ3 LYS 48 2HZ LYS 48 -19.894 10.272 5.089 325 H THR 49 H THR 49 -15.534 14.132 9.384 326 HA THR 49 HA THR 49 -17.610 15.904 10.278 327 HB THR 49 HB THR 49 -17.399 13.167 11.546 328 HG1 THR 49 HG1 THR 49 -18.965 12.788 10.178 329 HG21 THR 49 3HG2 THR 49 -17.697 14.688 13.330 330 HG22 THR 49 1HG2 THR 49 -19.307 14.069 12.966 331 HG23 THR 49 2HG2 THR 49 -18.831 15.672 12.405 332 H ILE 50 H ILE 50 -16.169 17.394 10.961 333 HA ILE 50 HA ILE 50 -13.950 16.560 12.675 334 HB ILE 50 HB ILE 50 -13.483 18.096 10.786 335 HG12 ILE 50 2HG1 ILE 50 -13.033 19.545 13.390 336 HG13 ILE 50 3HG1 ILE 50 -12.199 18.042 13.011 337 HG21 ILE 50 1HG2 ILE 50 -14.347 20.248 10.630 338 HG22 ILE 50 2HG2 ILE 50 -15.741 19.293 11.131 339 HG23 ILE 50 3HG2 ILE 50 -14.869 20.267 12.314 340 HD11 ILE 50 3HD1 ILE 50 -11.984 20.693 11.633 341 HD12 ILE 50 1HD1 ILE 50 -10.717 19.748 12.415 342 HD13 ILE 50 2HD1 ILE 50 -11.415 19.198 10.891 343 H GLY 51 H GLY 51 -13.604 17.416 14.738 344 HA2 GLY 51 2HA GLY 51 -16.052 18.439 16.018 345 HA3 GLY 51 3HA GLY 51 -14.763 17.572 16.839 346 H GLU 52 H GLU 52 -15.197 19.538 18.278 347 HA GLU 52 HA GLU 52 -12.986 21.237 18.187 348 HB2 GLU 52 2HB GLU 52 -14.246 23.413 17.775 349 HB3 GLU 52 3HB GLU 52 -13.898 22.422 16.364 350 HG2 GLU 52 2HG GLU 52 -16.186 21.536 16.443 351 HG3 GLU 52 3HG GLU 52 -16.527 22.583 17.819 352 H ARG 53 H ARG 53 -13.724 19.876 20.242 353 HA ARG 53 HA ARG 53 -14.296 19.922 22.443 354 HB2 ARG 53 2HB ARG 53 -13.878 22.819 21.811 355 HB3 ARG 53 3HB ARG 53 -14.503 22.361 23.389 356 HG2 ARG 53 2HG ARG 53 -12.551 21.121 23.902 357 HG3 ARG 53 3HG ARG 53 -11.969 21.228 22.240 358 HD2 ARG 53 2HD ARG 53 -11.900 23.732 22.558 359 HD3 ARG 53 3HD ARG 53 -12.190 23.438 24.272 360 HE ARG 53 HE ARG 53 -10.040 21.876 23.689 361 HH11 ARG 53 1HH1 ARG 53 -10.778 25.255 23.294 362 HH12 ARG 53 2HH1 ARG 53 -9.131 25.768 23.458 363 HH21 ARG 53 1HH2 ARG 53 -7.868 22.539 23.906 364 HH22 ARG 53 2HH2 ARG 53 -7.477 24.222 23.805 365 H GLY 54 H GLY 54 -16.400 19.920 20.358 366 HA2 GLY 54 2HA GLY 54 -18.624 20.607 22.138 367 HA3 GLY 54 3HA GLY 54 -18.619 21.306 20.525 368 H ALA 55 H ALA 55 -17.576 19.074 19.129 369 HA ALA 55 HA ALA 55 -19.904 17.673 18.521 370 HB1 ALA 55 1HB ALA 55 -17.982 17.866 17.006 371 HB2 ALA 55 2HB ALA 55 -17.062 16.779 18.048 372 HB3 ALA 55 3HB ALA 55 -18.498 16.191 17.209 373 H ASN 56 H ASN 56 -20.994 16.277 19.727 374 HA ASN 56 HA ASN 56 -19.848 14.979 21.996 375 HB2 ASN 56 2HB ASN 56 -22.505 15.291 20.816 376 HB3 ASN 56 3HB ASN 56 -22.251 13.697 21.521 377 HD21 ASN 56 1HD2 ASN 56 -22.660 13.501 23.596 378 HD22 ASN 56 2HD2 ASN 56 -22.715 14.787 24.748 379 H PHE 57 H PHE 57 -19.925 12.628 22.349 380 HA PHE 57 HA PHE 57 -18.559 11.248 20.277 381 HB2 PHE 57 2HB PHE 57 -18.573 9.339 21.795 382 HB3 PHE 57 3HB PHE 57 -18.162 10.808 22.674 383 HD1 PHE 57 HD1 PHE 57 -19.693 11.765 24.288 384 HD2 PHE 57 HD2 PHE 57 -20.656 8.191 22.186 385 HE1 PHE 57 HE1 PHE 57 -21.500 11.311 25.895 386 HE2 PHE 57 HE2 PHE 57 -22.466 7.733 23.788 387 HZ PHE 57 HZ PHE 57 -22.891 9.293 25.645 388 H ASP 58 H ASP 58 -21.875 11.254 21.434 389 HA ASP 58 HA ASP 58 -22.837 8.975 20.158 390 HB2 ASP 58 2HB ASP 58 -24.015 10.579 21.815 391 HB3 ASP 58 3HB ASP 58 -24.475 11.487 20.378 392 H GLN 59 H GLN 59 -22.627 12.310 18.953 393 HA GLN 59 HA GLN 59 -23.764 11.750 16.419 394 HB2 GLN 59 2HB GLN 59 -21.946 14.004 17.287 395 HB3 GLN 59 3HB GLN 59 -22.824 13.950 15.764 396 HG2 GLN 59 2HG GLN 59 -24.745 13.507 17.737 397 HG3 GLN 59 3HG GLN 59 -23.712 14.791 18.364 398 HE21 GLN 59 1HE2 GLN 59 -24.089 16.787 17.698 399 HE22 GLN 59 2HE2 GLN 59 -25.065 17.232 16.344 400 H PHE 60 H PHE 60 -20.468 11.757 17.650 401 HA PHE 60 HA PHE 60 -19.094 11.585 15.222 402 HB2 PHE 60 2HB PHE 60 -18.492 10.851 18.045 403 HB3 PHE 60 3HB PHE 60 -17.441 10.201 16.792 404 HD1 PHE 60 HD2 PHE 60 -16.940 12.177 14.917 405 HD2 PHE 60 HD1 PHE 60 -17.635 12.693 19.085 406 HE1 PHE 60 HE2 PHE 60 -15.698 14.300 14.858 407 HE2 PHE 60 HE1 PHE 60 -16.395 14.818 19.032 408 HZ PHE 60 HZ PHE 60 -15.423 15.623 16.917 409 H ILE 61 H ILE 61 -20.192 8.972 17.377 410 HA ILE 61 HA ILE 61 -19.368 6.878 15.648 411 HB ILE 61 HB ILE 61 -19.697 6.484 18.031 412 HG12 ILE 61 2HG1 ILE 61 -21.816 4.708 17.170 413 HG13 ILE 61 3HG1 ILE 61 -20.567 4.838 15.935 414 HG21 ILE 61 1HG2 ILE 61 -21.903 6.426 19.032 415 HG22 ILE 61 2HG2 ILE 61 -21.590 8.020 18.348 416 HG23 ILE 61 3HG2 ILE 61 -22.637 6.886 17.496 417 HD11 ILE 61 3HD1 ILE 61 -19.532 3.240 17.083 418 HD12 ILE 61 1HD1 ILE 61 -19.100 4.519 18.216 419 HD13 ILE 61 2HD1 ILE 61 -20.513 3.510 18.523 420 H GLU 62 H GLU 62 -22.375 8.658 16.056 421 HA GLU 62 HA GLU 62 -24.059 7.013 14.542 422 HB2 GLU 62 2HB GLU 62 -24.826 8.885 15.979 423 HB3 GLU 62 3HB GLU 62 -24.178 10.022 14.805 424 HG2 GLU 62 2HG GLU 62 -26.416 9.961 14.267 425 HG3 GLU 62 3HG GLU 62 -25.717 8.815 13.125 426 H ALA 63 H ALA 63 -21.904 9.641 13.578 427 HA ALA 63 HA ALA 63 -22.697 9.572 10.824 428 HB1 ALA 63 1HB ALA 63 -20.360 10.874 12.209 429 HB2 ALA 63 2HB ALA 63 -20.729 11.064 10.495 430 HB3 ALA 63 3HB ALA 63 -21.871 11.636 11.711 431 H ILE 64 H ILE 64 -19.782 8.531 12.589 432 HA ILE 64 HA ILE 64 -18.477 7.395 10.369 433 HB ILE 64 HB ILE 64 -17.859 7.772 13.051 434 HG12 ILE 64 2HG1 ILE 64 -16.291 8.057 11.236 435 HG13 ILE 64 3HG1 ILE 64 -15.624 6.889 12.371 436 HG21 ILE 64 1HG2 ILE 64 -17.698 4.828 12.428 437 HG22 ILE 64 2HG2 ILE 64 -17.149 5.631 13.898 438 HG23 ILE 64 3HG2 ILE 64 -18.870 5.563 13.521 439 HD11 ILE 64 3HD1 ILE 64 -16.584 5.103 10.835 440 HD12 ILE 64 1HD1 ILE 64 -16.793 6.400 9.659 441 HD13 ILE 64 2HD1 ILE 64 -15.183 6.005 10.260 442 H ASP 65 H ASP 65 -18.421 5.345 9.543 443 HA ASP 65 HA ASP 65 -20.466 3.480 10.557 444 HB2 ASP 65 2HB ASP 65 -19.455 3.573 7.716 445 HB3 ASP 65 3HB ASP 65 -20.877 2.737 8.334 446 H LYS 66 H LYS 66 -19.846 1.210 9.260 447 HA LYS 66 HA LYS 66 -17.045 0.646 9.970 448 HB2 LYS 66 2HB LYS 66 -18.536 -0.177 11.747 449 HB3 LYS 66 3HB LYS 66 -19.436 -1.111 10.559 450 HG2 LYS 66 2HG LYS 66 -17.245 -2.292 10.053 451 HG3 LYS 66 3HG LYS 66 -16.626 -1.537 11.524 452 HD2 LYS 66 2HD LYS 66 -17.976 -2.786 12.895 453 HD3 LYS 66 3HD LYS 66 -19.219 -2.997 11.659 454 HE2 LYS 66 2HE LYS 66 -16.667 -4.214 10.946 455 HE3 LYS 66 3HE LYS 66 -17.360 -4.877 12.425 456 HZ1 LYS 66 3HZ LYS 66 -19.212 -4.548 10.218 457 HZ2 LYS 66 1HZ LYS 66 -19.043 -5.829 11.311 458 HZ3 LYS 66 2HZ LYS 66 -18.007 -5.712 9.979 459 H ASN 67 H ASN 67 -16.503 0.780 7.754 460 HA ASN 67 HA ASN 67 -16.610 -1.669 6.363 461 HB2 ASN 67 2HB ASN 67 -18.906 -0.118 5.987 462 HB3 ASN 67 3HB ASN 67 -17.936 0.160 4.543 463 HD21 ASN 67 1HD2 ASN 67 -19.260 -0.964 3.177 464 HD22 ASN 67 2HD2 ASN 67 -19.447 -2.681 3.241 465 H VAL 68 H VAL 68 -16.512 1.829 5.670 466 HA VAL 68 HA VAL 68 -14.258 1.443 3.875 467 HB VAL 68 HB VAL 68 -14.425 3.915 3.539 468 HG11 VAL 68 1HG1 VAL 68 -15.879 3.528 1.888 469 HG12 VAL 68 2HG1 VAL 68 -15.996 1.890 2.535 470 HG13 VAL 68 3HG1 VAL 68 -17.174 3.114 3.011 471 HG21 VAL 68 3HG2 VAL 68 -15.500 4.217 5.859 472 HG22 VAL 68 1HG2 VAL 68 -16.093 5.210 4.528 473 HG23 VAL 68 2HG2 VAL 68 -17.012 3.799 5.053 474 HA PRO 69 HA PRO 69 -11.066 2.469 6.710 475 HB2 PRO 69 2HB PRO 69 -9.329 3.783 5.089 476 HB3 PRO 69 3HB PRO 69 -9.583 2.036 5.010 477 HG2 PRO 69 2HG PRO 69 -10.727 4.197 3.283 478 HG3 PRO 69 3HG PRO 69 -10.073 2.617 2.812 479 HD2 PRO 69 2HD PRO 69 -12.731 3.092 3.016 480 HD3 PRO 69 3HD PRO 69 -12.014 1.507 3.371 481 H CYS 70 H CYS 70 -11.420 3.933 8.263 482 HA CYS 70 HA CYS 70 -11.460 6.778 7.502 483 HB2 CYS 70 2HB CYS 70 -13.661 5.637 8.377 484 HB3 CYS 70 3HB CYS 70 -12.892 5.817 9.949 485 HG CYS 70 HG CYS 70 -12.467 8.694 9.215 486 H TYR 71 H TYR 71 -10.446 8.232 8.909 487 HA TYR 71 HA TYR 71 -8.771 7.004 10.998 488 HB2 TYR 71 2HB TYR 71 -7.885 9.307 9.260 489 HB3 TYR 71 3HB TYR 71 -6.906 8.346 10.363 490 HD1 TYR 71 HD1 TYR 71 -8.678 8.307 7.124 491 HD2 TYR 71 HD2 TYR 71 -5.936 6.283 9.671 492 HE1 TYR 71 HE1 TYR 71 -8.062 6.817 5.267 493 HE2 TYR 71 HE2 TYR 71 -5.312 4.788 7.821 494 HH TYR 71 HH TYR 71 -7.043 4.301 5.187 495 H ALA 72 H ALA 72 -8.870 7.942 12.937 496 HA ALA 72 HA ALA 72 -10.156 10.588 13.128 497 HB1 ALA 72 1HB ALA 72 -10.166 8.625 15.385 498 HB2 ALA 72 2HB ALA 72 -11.282 9.949 15.046 499 HB3 ALA 72 3HB ALA 72 -11.334 8.480 14.071 500 H ALA 73 H ALA 73 -8.979 12.178 13.968 501 HA ALA 73 HA ALA 73 -6.488 11.480 15.368 502 HB1 ALA 73 1HB ALA 73 -5.454 13.164 14.310 503 HB2 ALA 73 2HB ALA 73 -6.815 13.078 13.191 504 HB3 ALA 73 3HB ALA 73 -6.824 14.259 14.502 505 H PHE 74 H PHE 74 -6.618 11.618 17.504 506 HA PHE 74 HA PHE 74 -8.352 13.685 18.683 507 HB2 PHE 74 2HB PHE 74 -7.340 11.214 20.087 508 HB3 PHE 74 3HB PHE 74 -8.640 12.289 20.592 509 HD1 PHE 74 HD2 PHE 74 -10.059 12.545 17.961 510 HD2 PHE 74 HD1 PHE 74 -8.461 9.162 19.990 511 HE1 PHE 74 HE2 PHE 74 -11.694 11.097 16.828 512 HE2 PHE 74 HE1 PHE 74 -10.093 7.708 18.860 513 HZ PHE 74 HZ PHE 74 -11.714 8.676 17.278 514 H ASP 75 H ASP 75 -7.430 15.287 19.778 515 HA ASP 75 HA ASP 75 -4.554 15.194 20.248 516 HB2 ASP 75 2HB ASP 75 -5.308 17.189 19.165 517 HB3 ASP 75 3HB ASP 75 -6.579 17.431 20.361 518 H PHE 76 H PHE 76 -3.773 14.592 22.145 519 HA PHE 76 HA PHE 76 -5.395 15.087 24.556 520 HB2 PHE 76 2HB PHE 76 -5.146 12.652 23.820 521 HB3 PHE 76 3HB PHE 76 -3.448 12.803 24.260 522 HD1 PHE 76 HD2 PHE 76 -6.882 13.169 25.623 523 HD2 PHE 76 HD1 PHE 76 -2.768 12.462 26.453 524 HE1 PHE 76 HE2 PHE 76 -7.447 12.646 27.959 525 HE2 PHE 76 HE1 PHE 76 -3.327 11.936 28.791 526 HZ PHE 76 HZ PHE 76 -5.669 12.029 29.547 527 H GLU 77 H GLU 77 -4.470 16.794 25.511 528 HA GLU 77 HA GLU 77 -1.536 16.827 25.761 529 HB2 GLU 77 2HB GLU 77 -1.941 19.306 26.301 530 HB3 GLU 77 3HB GLU 77 -2.128 18.790 24.631 531 HG2 GLU 77 2HG GLU 77 -4.349 19.184 24.608 532 HG3 GLU 77 3HG GLU 77 -4.559 18.727 26.298 533 H TYR 78 H TYR 78 -0.764 16.340 27.695 534 HA TYR 78 HA TYR 78 -2.036 17.340 30.096 535 HB2 TYR 78 2HB TYR 78 -2.826 14.858 29.277 536 HB3 TYR 78 3HB TYR 78 -1.466 14.459 30.320 537 HD1 TYR 78 HD2 TYR 78 -4.304 16.900 30.439 538 HD2 TYR 78 HD1 TYR 78 -2.094 13.873 32.452 539 HE1 TYR 78 HE2 TYR 78 -5.747 17.167 32.413 540 HE2 TYR 78 HE1 TYR 78 -3.532 14.130 34.431 541 HH TYR 78 HH TYR 78 -5.215 15.243 35.352 542 H THR 79 H THR 79 -0.730 16.434 32.077 543 HA THR 79 HA THR 79 2.070 16.976 31.476 544 HB THR 79 HB THR 79 1.040 18.226 33.312 545 HG1 THR 79 HG1 THR 79 2.803 18.046 34.547 546 HG21 THR 79 3HG2 THR 79 -0.240 17.298 34.893 547 HG22 THR 79 1HG2 THR 79 0.960 16.054 35.238 548 HG23 THR 79 2HG2 THR 79 -0.199 15.822 33.929 549 H THR 80 H THR 80 1.312 14.514 30.524 550 HA THR 80 HA THR 80 1.909 12.439 32.421 551 HB THR 80 HB THR 80 0.397 11.964 30.571 552 HG1 THR 80 HG1 THR 80 1.273 10.067 31.010 553 HG21 THR 80 3HG2 THR 80 1.975 13.494 29.025 554 HG22 THR 80 1HG2 THR 80 0.853 12.300 28.373 555 HG23 THR 80 2HG2 THR 80 2.561 11.898 28.555 556 H ASN 81 H ASN 81 3.636 14.098 29.827 557 HA ASN 81 HA ASN 81 5.978 12.448 30.071 558 HB2 ASN 81 2HB ASN 81 5.627 15.103 28.661 559 HB3 ASN 81 3HB ASN 81 6.982 13.995 28.461 560 HD21 ASN 81 1HD2 ASN 81 3.607 14.547 27.819 561 HD22 ASN 81 2HD2 ASN 81 3.437 13.338 26.596 562 H ASP 82 H ASP 82 4.949 15.615 31.214 563 HA ASP 82 HA ASP 82 6.441 15.650 33.519 564 HB2 ASP 82 2HB ASP 82 8.066 16.210 31.178 565 HB3 ASP 82 3HB ASP 82 8.081 17.558 32.312 566 H GLY 83 H GLY 83 5.856 17.917 30.821 567 HA2 GLY 83 2HA GLY 83 4.397 19.626 32.742 568 HA3 GLY 83 3HA GLY 83 5.460 20.295 31.513 569 HA PRO 84 HA PRO 84 1.177 20.413 29.808 570 HB2 PRO 84 2HB PRO 84 1.456 22.869 28.686 571 HB3 PRO 84 3HB PRO 84 0.977 22.631 30.371 572 HG2 PRO 84 2HG PRO 84 3.669 23.296 29.243 573 HG3 PRO 84 3HG PRO 84 2.857 23.967 30.669 574 HD2 PRO 84 2HD PRO 84 4.779 22.069 30.847 575 HD3 PRO 84 3HD PRO 84 3.431 22.173 31.997 576 H ARG 85 H ARG 85 2.016 18.699 28.407 577 HA ARG 85 HA ARG 85 3.098 19.706 25.861 578 HB2 ARG 85 2HB ARG 85 3.527 17.226 27.413 579 HB3 ARG 85 3HB ARG 85 3.394 17.019 25.671 580 HG2 ARG 85 2HG ARG 85 5.125 19.220 26.215 581 HG3 ARG 85 3HG ARG 85 5.638 17.824 27.165 582 HD2 ARG 85 2HD ARG 85 5.583 16.459 25.096 583 HD3 ARG 85 3HD ARG 85 5.197 17.918 24.183 584 HE ARG 85 HE ARG 85 7.766 17.121 25.137 585 HH11 ARG 85 1HH1 ARG 85 5.774 19.880 24.403 586 HH12 ARG 85 2HH1 ARG 85 7.116 20.931 24.093 587 HH21 ARG 85 1HH2 ARG 85 9.541 18.494 24.731 588 HH22 ARG 85 2HH2 ARG 85 9.259 20.141 24.279 589 H ASP 86 H ASP 86 2.445 18.100 23.994 590 HA ASP 86 HA ASP 86 -0.371 17.336 24.223 591 HB2 ASP 86 2HB ASP 86 -0.867 18.449 22.048 592 HB3 ASP 86 3HB ASP 86 -0.475 19.582 23.338 593 H LYS 87 H LYS 87 -0.872 15.514 23.145 594 HA LYS 87 HA LYS 87 1.038 14.500 21.153 595 HB2 LYS 87 2HB LYS 87 0.195 13.257 23.698 596 HB3 LYS 87 3HB LYS 87 0.192 12.191 22.299 597 HG2 LYS 87 2HG LYS 87 2.558 13.858 23.120 598 HG3 LYS 87 3HG LYS 87 2.304 12.186 23.629 599 HD2 LYS 87 2HD LYS 87 2.176 11.573 21.195 600 HD3 LYS 87 3HD LYS 87 2.691 13.220 20.824 601 HE2 LYS 87 2HE LYS 87 4.221 11.209 22.472 602 HE3 LYS 87 3HE LYS 87 4.580 11.670 20.809 603 HZ1 LYS 87 3HZ LYS 87 4.560 14.050 22.026 604 HZ2 LYS 87 1HZ LYS 87 5.955 13.121 21.792 605 HZ3 LYS 87 2HZ LYS 87 5.145 13.072 23.276 606 H LEU 88 H LEU 88 0.057 14.067 19.298 607 HA LEU 88 HA LEU 88 -2.847 13.766 19.252 608 HB2 LEU 88 2HB LEU 88 -1.099 15.141 17.646 609 HB3 LEU 88 3HB LEU 88 -1.433 13.694 16.696 610 HG LEU 88 HG LEU 88 -3.495 15.641 17.729 611 HD11 LEU 88 1HD1 LEU 88 -3.001 16.848 15.936 612 HD12 LEU 88 2HD1 LEU 88 -3.527 15.494 14.936 613 HD13 LEU 88 3HD1 LEU 88 -1.829 15.649 15.389 614 HD21 LEU 88 3HD2 LEU 88 -3.658 12.978 16.447 615 HD22 LEU 88 1HD2 LEU 88 -4.776 14.215 15.871 616 HD23 LEU 88 2HD2 LEU 88 -4.760 13.766 17.577 617 H ILE 89 H ILE 89 -3.853 11.896 18.856 618 HA ILE 89 HA ILE 89 -2.202 9.595 18.038 619 HB ILE 89 HB ILE 89 -4.761 9.479 19.633 620 HG12 ILE 89 2HG1 ILE 89 -2.553 8.650 21.190 621 HG13 ILE 89 3HG1 ILE 89 -2.102 10.190 20.467 622 HG21 ILE 89 1HG2 ILE 89 -4.005 7.171 20.108 623 HG22 ILE 89 2HG2 ILE 89 -4.325 7.458 18.398 624 HG23 ILE 89 3HG2 ILE 89 -2.664 7.412 18.988 625 HD11 ILE 89 3HD1 ILE 89 -4.753 10.430 21.425 626 HD12 ILE 89 1HD1 ILE 89 -3.776 9.697 22.696 627 HD13 ILE 89 2HD1 ILE 89 -3.295 11.242 21.995 628 H LEU 90 H LEU 90 -3.068 8.100 16.574 629 HA LEU 90 HA LEU 90 -5.445 9.029 15.102 630 HB2 LEU 90 2HB LEU 90 -3.087 9.238 14.025 631 HB3 LEU 90 3HB LEU 90 -3.239 7.499 13.784 632 HG LEU 90 HG LEU 90 -5.457 8.081 12.599 633 HD11 LEU 90 1HD1 LEU 90 -4.556 10.684 13.324 634 HD12 LEU 90 2HD1 LEU 90 -6.030 10.216 12.476 635 HD13 LEU 90 3HD1 LEU 90 -4.557 10.549 11.565 636 HD21 LEU 90 3HD2 LEU 90 -3.859 7.199 11.209 637 HD22 LEU 90 1HD2 LEU 90 -2.675 8.449 11.593 638 HD23 LEU 90 2HD2 LEU 90 -4.029 8.816 10.524 639 H ILE 91 H ILE 91 -7.068 7.637 15.196 640 HA ILE 91 HA ILE 91 -6.449 4.773 15.518 641 HB ILE 91 HB ILE 91 -8.827 6.322 16.549 642 HG12 ILE 91 2HG1 ILE 91 -7.740 4.969 18.659 643 HG13 ILE 91 3HG1 ILE 91 -6.303 5.346 17.715 644 HG21 ILE 91 1HG2 ILE 91 -8.282 3.363 16.500 645 HG22 ILE 91 2HG2 ILE 91 -9.466 4.112 17.570 646 HG23 ILE 91 3HG2 ILE 91 -9.663 4.225 15.821 647 HD11 ILE 91 3HD1 ILE 91 -7.887 7.683 17.830 648 HD12 ILE 91 1HD1 ILE 91 -7.776 7.023 19.461 649 HD13 ILE 91 2HD1 ILE 91 -6.307 7.386 18.554 650 H SER 92 H SER 92 -7.113 3.454 13.957 651 HA SER 92 HA SER 92 -8.925 4.521 11.911 652 HB2 SER 92 2HB SER 92 -7.227 3.741 10.628 653 HB3 SER 92 3HB SER 92 -6.640 2.660 11.891 654 HG SER 92 HG SER 92 -8.171 1.161 11.300 655 H TRP 93 H TRP 93 -10.963 3.872 11.875 656 HA TRP 93 HA TRP 93 -11.693 1.426 13.328 657 HB2 TRP 93 2HB TRP 93 -13.637 3.504 12.345 658 HB3 TRP 93 3HB TRP 93 -13.842 2.335 13.646 659 HD1 TRP 93 HD1 TRP 93 -12.381 5.771 12.909 660 HE1 TRP 93 HE1 TRP 93 -11.735 6.897 15.132 661 HE3 TRP 93 HE3 TRP 93 -13.058 1.800 16.058 662 HZ2 TRP 93 HZ2 TRP 93 -11.538 6.195 17.859 663 HZ3 TRP 93 HZ3 TRP 93 -12.619 2.111 18.459 664 HH2 TRP 93 HH2 TRP 93 -11.874 4.263 19.339 665 H ASN 94 H ASN 94 -11.901 -0.321 12.102 666 HA ASN 94 HA ASN 94 -13.737 -0.594 10.041 667 HB2 ASN 94 2HB ASN 94 -11.499 0.779 9.118 668 HB3 ASN 94 3HB ASN 94 -11.236 -0.878 8.581 669 HD21 ASN 94 1HD2 ASN 94 -11.540 -0.392 6.432 670 HD22 ASN 94 2HD2 ASN 94 -13.088 0.004 5.774 671 HA PRO 95 HA PRO 95 -12.815 -4.774 11.082 672 HB2 PRO 95 2HB PRO 95 -14.189 -6.008 9.091 673 HB3 PRO 95 3HB PRO 95 -14.981 -5.241 10.473 674 HG2 PRO 95 2HG PRO 95 -14.568 -4.187 7.702 675 HG3 PRO 95 3HG PRO 95 -16.010 -4.097 8.729 676 HD2 PRO 95 2HD PRO 95 -14.299 -2.019 8.435 677 HD3 PRO 95 3HD PRO 95 -15.188 -2.317 9.942 678 H ASP 96 H ASP 96 -11.108 -6.039 10.696 679 HA ASP 96 HA ASP 96 -9.311 -5.561 8.591 680 HB2 ASP 96 2HB ASP 96 -8.022 -7.347 9.460 681 HB3 ASP 96 3HB ASP 96 -8.824 -6.628 10.854 682 H SER 97 H SER 97 -12.140 -7.496 8.767 683 HA SER 97 HA SER 97 -11.410 -8.887 6.278 684 HB2 SER 97 2HB SER 97 -12.946 -9.672 8.654 685 HB3 SER 97 3HB SER 97 -13.737 -10.077 7.131 686 HG SER 97 HG SER 97 -11.536 -11.184 8.295 687 H GLY 98 H GLY 98 -12.642 -6.099 6.907 688 HA2 GLY 98 2HA GLY 98 -15.266 -5.989 5.976 689 HA3 GLY 98 3HA GLY 98 -14.098 -4.683 5.839 690 H ALA 99 H ALA 99 -13.066 -4.314 3.906 691 HA ALA 99 HA ALA 99 -13.868 -6.039 1.655 692 HB1 ALA 99 1HB ALA 99 -13.665 -3.752 0.359 693 HB2 ALA 99 2HB ALA 99 -15.157 -4.213 1.179 694 HB3 ALA 99 3HB ALA 99 -14.042 -3.085 1.948 695 HA PRO 100 HA PRO 100 -9.656 -6.255 0.445 696 HB2 PRO 100 2HB PRO 100 -9.827 -6.175 -2.264 697 HB3 PRO 100 3HB PRO 100 -10.330 -7.576 -1.310 698 HG2 PRO 100 2HG PRO 100 -12.000 -5.388 -2.487 699 HG3 PRO 100 3HG PRO 100 -12.305 -7.134 -2.455 700 HD2 PRO 100 2HD PRO 100 -13.492 -5.416 -0.731 701 HD3 PRO 100 3HD PRO 100 -13.084 -7.085 -0.286 702 H ARG 101 H ARG 101 -11.423 -3.799 -1.445 703 HA ARG 101 HA ARG 101 -9.122 -2.260 -2.055 704 HB2 ARG 101 2HB ARG 101 -10.656 -0.595 -2.881 705 HB3 ARG 101 3HB ARG 101 -11.247 -2.184 -3.345 706 HG2 ARG 101 2HG ARG 101 -12.833 -2.118 -1.464 707 HG3 ARG 101 3HG ARG 101 -12.268 -0.492 -1.074 708 HD2 ARG 101 2HD ARG 101 -13.883 0.231 -2.436 709 HD3 ARG 101 3HD ARG 101 -12.850 -0.317 -3.755 710 HE ARG 101 HE ARG 101 -14.244 -2.541 -3.075 711 HH11 ARG 101 1HH1 ARG 101 -15.152 0.714 -3.912 712 HH12 ARG 101 2HH1 ARG 101 -16.667 0.250 -4.613 713 HH21 ARG 101 1HH2 ARG 101 -16.236 -3.164 -3.996 714 HH22 ARG 101 2HH2 ARG 101 -17.283 -1.956 -4.659 715 H THR 102 H THR 102 -11.400 -2.258 0.600 716 HA THR 102 HA THR 102 -10.619 0.261 1.683 717 HB THR 102 HB THR 102 -11.805 -0.493 3.734 718 HG1 THR 102 HG1 THR 102 -11.442 -2.700 3.698 719 HG21 THR 102 3HG2 THR 102 -12.980 0.538 1.768 720 HG22 THR 102 1HG2 THR 102 -14.000 -0.478 2.785 721 HG23 THR 102 2HG2 THR 102 -13.400 -1.092 1.245 722 H LYS 103 H LYS 103 -9.803 -3.107 2.464 723 HA LYS 103 HA LYS 103 -8.046 -2.460 4.598 724 HB2 LYS 103 2HB LYS 103 -7.397 -4.774 4.550 725 HB3 LYS 103 3HB LYS 103 -9.132 -4.684 4.273 726 HG2 LYS 103 2HG LYS 103 -8.788 -5.005 1.889 727 HG3 LYS 103 3HG LYS 103 -7.041 -5.044 2.135 728 HD2 LYS 103 2HD LYS 103 -8.446 -6.922 3.852 729 HD3 LYS 103 3HD LYS 103 -8.748 -7.221 2.139 730 HE2 LYS 103 2HE LYS 103 -5.950 -6.701 2.990 731 HE3 LYS 103 3HE LYS 103 -6.662 -8.259 3.409 732 HZ1 LYS 103 3HZ LYS 103 -7.348 -8.011 0.827 733 HZ2 LYS 103 1HZ LYS 103 -5.977 -8.838 1.374 734 HZ3 LYS 103 2HZ LYS 103 -5.842 -7.241 0.834 735 H MET 104 H MET 104 -7.623 -2.899 1.139 736 HA MET 104 HA MET 104 -4.778 -2.942 1.182 737 HB2 MET 104 2HB MET 104 -6.236 -3.798 -0.685 738 HB3 MET 104 3HB MET 104 -6.555 -2.123 -1.118 739 HG2 MET 104 2HG MET 104 -4.813 -2.351 -2.485 740 HG3 MET 104 3HG MET 104 -3.839 -2.154 -1.030 741 HE1 MET 104 3HE MET 104 -2.024 -3.345 -0.728 742 HE2 MET 104 1HE MET 104 -2.737 -4.576 0.316 743 HE3 MET 104 2HE MET 104 -1.705 -5.054 -1.032 744 H LEU 105 H LEU 105 -7.173 -0.398 0.551 745 HA LEU 105 HA LEU 105 -5.445 1.672 -0.103 746 HB2 LEU 105 2HB LEU 105 -8.196 1.411 0.822 747 HB3 LEU 105 3HB LEU 105 -7.436 2.916 1.334 748 HG LEU 105 HG LEU 105 -6.921 3.423 -1.028 749 HD11 LEU 105 1HD1 LEU 105 -8.807 1.444 -2.072 750 HD12 LEU 105 2HD1 LEU 105 -7.295 0.764 -1.472 751 HD13 LEU 105 3HD1 LEU 105 -7.267 2.005 -2.724 752 HD21 LEU 105 3HD2 LEU 105 -8.825 4.557 -0.964 753 HD22 LEU 105 1HD2 LEU 105 -9.445 3.458 0.268 754 HD23 LEU 105 2HD2 LEU 105 -9.713 3.108 -1.440 755 H TYR 106 H TYR 106 -6.211 0.288 3.002 756 HA TYR 106 HA TYR 106 -5.322 2.351 4.674 757 HB2 TYR 106 2HB TYR 106 -5.862 -0.531 4.941 758 HB3 TYR 106 3HB TYR 106 -4.690 0.102 6.090 759 HD1 TYR 106 HD2 TYR 106 -5.539 2.579 6.999 760 HD2 TYR 106 HD1 TYR 106 -7.996 -0.673 5.780 761 HE1 TYR 106 HE2 TYR 106 -7.370 3.448 8.393 762 HE2 TYR 106 HE1 TYR 106 -9.834 0.187 7.170 763 HH TYR 106 HH TYR 106 -9.396 3.010 9.254 764 H SER 107 H SER 107 -3.581 -0.188 2.984 765 HA SER 107 HA SER 107 -1.073 0.406 4.279 766 HB2 SER 107 2HB SER 107 -2.064 -1.574 2.324 767 HB3 SER 107 3HB SER 107 -0.377 -1.102 2.124 768 HG SER 107 HG SER 107 -0.295 -1.513 4.519 769 H SER 108 H SER 108 -2.339 0.739 0.964 770 HA SER 108 HA SER 108 -0.180 2.010 -0.196 771 HB2 SER 108 2HB SER 108 -2.447 1.219 -1.222 772 HB3 SER 108 3HB SER 108 -2.977 2.865 -0.879 773 HG SER 108 HG SER 108 -0.925 3.445 -2.047 774 H SER 109 H SER 109 -2.842 3.421 1.658 775 HA SER 109 HA SER 109 -1.876 6.111 1.324 776 HB2 SER 109 2HB SER 109 -4.323 5.244 1.776 777 HB3 SER 109 3HB SER 109 -3.828 5.355 3.465 778 HG SER 109 HG SER 109 -3.369 7.542 3.137 779 H ARG 110 H ARG 110 -1.391 3.524 3.562 780 HA ARG 110 HA ARG 110 -0.616 4.915 5.852 781 HB2 ARG 110 2HB ARG 110 -0.508 2.220 4.896 782 HB3 ARG 110 3HB ARG 110 1.048 2.630 5.606 783 HG2 ARG 110 2HG ARG 110 -0.726 3.618 7.447 784 HG3 ARG 110 3HG ARG 110 -1.524 2.150 6.880 785 HD2 ARG 110 2HD ARG 110 -0.238 1.245 8.525 786 HD3 ARG 110 3HD ARG 110 0.913 1.156 7.192 787 HE ARG 110 HE ARG 110 2.239 2.610 8.336 788 HH11 ARG 110 1HH1 ARG 110 -1.032 2.979 9.471 789 HH12 ARG 110 2HH1 ARG 110 -0.613 4.122 10.704 790 HH21 ARG 110 1HH2 ARG 110 2.802 4.114 9.956 791 HH22 ARG 110 2HH2 ARG 110 1.568 4.768 10.978 792 H ASP 111 H ASP 111 1.220 4.039 2.969 793 HA ASP 111 HA ASP 111 3.771 4.756 3.872 794 HB2 ASP 111 2HB ASP 111 3.429 3.484 1.817 795 HB3 ASP 111 3HB ASP 111 2.634 4.868 1.071 796 H ALA 112 H ALA 112 1.257 6.675 2.279 797 HA ALA 112 HA ALA 112 2.854 9.068 2.266 798 HB1 ALA 112 1HB ALA 112 0.717 8.245 0.809 799 HB2 ALA 112 2HB ALA 112 -0.046 9.365 1.938 800 HB3 ALA 112 3HB ALA 112 1.278 9.914 0.910 801 H LEU 113 H LEU 113 0.684 7.527 4.456 802 HA LEU 113 HA LEU 113 0.110 9.924 5.968 803 HB2 LEU 113 2HB LEU 113 -0.716 7.099 6.020 804 HB3 LEU 113 3HB LEU 113 -0.650 7.896 7.591 805 HG LEU 113 HG LEU 113 -2.191 9.046 5.279 806 HD11 LEU 113 1HD1 LEU 113 -2.792 6.609 6.153 807 HD12 LEU 113 2HD1 LEU 113 -4.028 7.790 5.722 808 HD13 LEU 113 3HD1 LEU 113 -3.595 7.546 7.414 809 HD21 LEU 113 3HD2 LEU 113 -2.882 9.385 8.151 810 HD22 LEU 113 1HD2 LEU 113 -3.088 10.497 6.797 811 HD23 LEU 113 2HD2 LEU 113 -1.493 10.266 7.514 812 H VAL 114 H VAL 114 2.517 7.477 5.909 813 HA VAL 114 HA VAL 114 3.357 7.395 8.561 814 HB VAL 114 HB VAL 114 4.696 6.919 5.946 815 HG11 VAL 114 1HG1 VAL 114 6.801 6.347 7.281 816 HG12 VAL 114 2HG1 VAL 114 6.488 8.051 6.945 817 HG13 VAL 114 3HG1 VAL 114 6.134 7.386 8.540 818 HG21 VAL 114 3HG2 VAL 114 3.521 5.391 8.041 819 HG22 VAL 114 1HG2 VAL 114 4.166 4.835 6.497 820 HG23 VAL 114 2HG2 VAL 114 5.221 4.942 7.906 821 HA PRO 115 HA PRO 115 6.326 11.087 7.563 822 HB2 PRO 115 2HB PRO 115 5.830 12.480 5.286 823 HB3 PRO 115 3HB PRO 115 6.912 11.084 5.341 824 HG2 PRO 115 2HG PRO 115 4.058 11.234 4.452 825 HG3 PRO 115 3HG PRO 115 5.418 10.375 3.707 826 HD2 PRO 115 2HD PRO 115 3.572 9.126 5.245 827 HD3 PRO 115 3HD PRO 115 5.268 8.605 5.176 828 H LEU 116 H LEU 116 2.989 11.425 6.431 829 HA LEU 116 HA LEU 116 2.661 14.129 7.189 830 HB2 LEU 116 2HB LEU 116 1.156 13.163 5.611 831 HB3 LEU 116 3HB LEU 116 0.687 11.900 6.748 832 HG LEU 116 HG LEU 116 -0.292 13.762 8.178 833 HD11 LEU 116 1HD1 LEU 116 0.063 15.289 5.603 834 HD12 LEU 116 2HD1 LEU 116 0.852 15.635 7.142 835 HD13 LEU 116 3HD1 LEU 116 -0.896 15.816 6.986 836 HD21 LEU 116 3HD2 LEU 116 -1.338 12.816 5.552 837 HD22 LEU 116 1HD2 LEU 116 -2.253 14.021 6.457 838 HD23 LEU 116 2HD2 LEU 116 -1.897 12.455 7.186 839 H THR 117 H THR 117 1.868 11.080 8.823 840 HA THR 117 HA THR 117 1.230 12.578 11.263 841 HB THR 117 HB THR 117 0.236 10.537 12.114 842 HG1 THR 117 HG1 THR 117 1.550 9.422 9.906 843 HG21 THR 117 3HG2 THR 117 -0.643 11.900 9.774 844 HG22 THR 117 1HG2 THR 117 -1.615 11.122 11.022 845 HG23 THR 117 2HG2 THR 117 -1.076 10.198 9.620 846 H GLN 118 H GLN 118 3.731 12.920 11.135 847 HA GLN 118 HA GLN 118 5.305 10.698 12.088 848 HB2 GLN 118 2HB GLN 118 7.155 12.309 12.135 849 HB3 GLN 118 3HB GLN 118 6.311 12.347 10.593 850 HG2 GLN 118 2HG GLN 118 5.039 14.329 11.444 851 HG3 GLN 118 3HG GLN 118 6.122 14.339 12.835 852 HE21 GLN 118 1HE2 GLN 118 8.240 14.981 12.580 853 HE22 GLN 118 2HE2 GLN 118 8.813 15.767 11.152 854 H GLY 119 H GLY 119 5.506 10.108 14.141 855 HA2 GLY 119 2HA GLY 119 5.992 10.517 16.424 856 HA3 GLY 119 3HA GLY 119 5.355 12.145 16.242 857 H PHE 120 H PHE 120 2.966 11.003 14.804 858 HA PHE 120 HA PHE 120 1.368 10.603 17.172 859 HB2 PHE 120 2HB PHE 120 0.421 10.463 14.311 860 HB3 PHE 120 3HB PHE 120 -0.530 10.829 15.747 861 HD1 PHE 120 HD1 PHE 120 1.177 12.807 17.092 862 HD2 PHE 120 HD2 PHE 120 0.214 12.342 12.972 863 HE1 PHE 120 HE1 PHE 120 1.561 15.211 16.734 864 HE2 PHE 120 HE2 PHE 120 0.598 14.745 12.608 865 HZ PHE 120 HZ PHE 120 1.273 16.182 14.490 866 H GLN 121 H GLN 121 0.402 8.756 17.849 867 HA GLN 121 HA GLN 121 1.426 6.273 16.829 868 HB2 GLN 121 2HB GLN 121 -0.752 6.585 18.887 869 HB3 GLN 121 3HB GLN 121 0.367 5.243 18.687 870 HG2 GLN 121 2HG GLN 121 1.005 8.011 19.673 871 HG3 GLN 121 3HG GLN 121 1.017 6.514 20.602 872 HE21 GLN 121 1HE2 GLN 121 2.956 8.709 19.234 873 HE22 GLN 121 2HE2 GLN 121 4.340 7.735 18.888 874 H GLY 122 H GLY 122 0.635 5.625 14.910 875 HA2 GLY 122 2HA GLY 122 -2.237 5.880 14.387 876 HA3 GLY 122 3HA GLY 122 -1.000 5.495 13.199 877 H ILE 123 H ILE 123 -3.312 4.256 15.388 878 HA ILE 123 HA ILE 123 -2.495 1.513 14.684 879 HB ILE 123 HB ILE 123 -3.735 0.900 16.877 880 HG12 ILE 123 2HG1 ILE 123 -2.988 3.781 17.424 881 HG13 ILE 123 3HG1 ILE 123 -4.625 3.139 17.332 882 HG21 ILE 123 1HG2 ILE 123 -1.664 0.355 17.452 883 HG22 ILE 123 2HG2 ILE 123 -1.039 1.473 16.241 884 HG23 ILE 123 3HG2 ILE 123 -1.329 2.030 17.889 885 HD11 ILE 123 3HD1 ILE 123 -3.233 1.588 19.228 886 HD12 ILE 123 1HD1 ILE 123 -2.879 3.281 19.569 887 HD13 ILE 123 2HD1 ILE 123 -4.552 2.727 19.498 888 H GLN 124 H GLN 124 -4.055 0.154 13.950 889 HA GLN 124 HA GLN 124 -6.731 1.317 13.585 890 HB2 GLN 124 2HB GLN 124 -6.926 -0.449 11.770 891 HB3 GLN 124 3HB GLN 124 -5.789 0.857 11.467 892 HG2 GLN 124 2HG GLN 124 -3.934 -0.564 12.068 893 HG3 GLN 124 3HG GLN 124 -5.040 -1.867 12.501 894 HE21 GLN 124 1HE2 GLN 124 -3.158 -2.509 10.772 895 HE22 GLN 124 2HE2 GLN 124 -3.779 -2.646 9.166 896 H ALA 125 H ALA 125 -8.350 0.498 14.723 897 HA ALA 125 HA ALA 125 -8.406 -2.342 15.363 898 HB1 ALA 125 1HB ALA 125 -9.173 -1.345 17.777 899 HB2 ALA 125 2HB ALA 125 -7.566 -1.973 17.409 900 HB3 ALA 125 3HB ALA 125 -7.875 -0.238 17.331 901 H ASN 126 H ASN 126 -10.394 -3.121 15.087 902 HA ASN 126 HA ASN 126 -12.605 -1.224 14.804 903 HB2 ASN 126 2HB ASN 126 -13.663 -2.782 13.432 904 HB3 ASN 126 3HB ASN 126 -11.963 -3.042 13.055 905 HD21 ASN 126 1HD2 ASN 126 -14.746 -4.590 13.588 906 HD22 ASN 126 2HD2 ASN 126 -14.158 -6.086 14.221 907 H ASP 127 H ASP 127 -14.724 -1.810 15.673 908 HA ASP 127 HA ASP 127 -16.124 -2.366 17.379 909 HB2 ASP 127 2HB ASP 127 -14.812 -4.703 16.751 910 HB3 ASP 127 3HB ASP 127 -14.523 -4.560 18.483 911 H ALA 128 H ALA 128 -15.649 -3.375 19.930 912 HA ALA 128 HA ALA 128 -14.928 -1.129 21.367 913 HB1 ALA 128 1HB ALA 128 -14.435 -3.785 22.606 914 HB2 ALA 128 2HB ALA 128 -15.273 -2.372 23.250 915 HB3 ALA 128 3HB ALA 128 -16.070 -3.406 22.064 916 H SER 129 H SER 129 -12.907 -3.568 19.964 917 HA SER 129 HA SER 129 -10.602 -3.300 21.520 918 HB2 SER 129 2HB SER 129 -10.706 -3.835 18.543 919 HB3 SER 129 3HB SER 129 -9.403 -4.270 19.649 920 HG SER 129 HG SER 129 -10.644 -5.827 20.525 921 H GLY 130 H GLY 130 -12.031 -1.152 19.244 922 HA2 GLY 130 2HA GLY 130 -9.586 0.351 18.789 923 HA3 GLY 130 3HA GLY 130 -11.178 0.725 18.145 924 H LEU 131 H LEU 131 -12.159 0.351 21.049 925 HA LEU 131 HA LEU 131 -11.652 3.131 21.814 926 HB2 LEU 131 2HB LEU 131 -13.652 1.341 23.136 927 HB3 LEU 131 3HB LEU 131 -13.661 3.097 22.985 928 HG LEU 131 HG LEU 131 -14.084 1.239 20.652 929 HD11 LEU 131 1HD1 LEU 131 -15.804 1.532 22.803 930 HD12 LEU 131 2HD1 LEU 131 -16.221 0.947 21.193 931 HD13 LEU 131 3HD1 LEU 131 -16.430 2.652 21.593 932 HD21 LEU 131 3HD2 LEU 131 -14.532 3.092 19.411 933 HD22 LEU 131 1HD2 LEU 131 -13.385 3.798 20.550 934 HD23 LEU 131 2HD2 LEU 131 -15.118 4.017 20.795 935 H ASP 132 H ASP 132 -9.911 0.659 22.303 936 HA ASP 132 HA ASP 132 -9.907 0.229 25.119 937 HB2 ASP 132 2HB ASP 132 -8.007 -0.424 22.887 938 HB3 ASP 132 3HB ASP 132 -7.530 -0.674 24.564 939 H PHE 133 H PHE 133 -9.739 2.119 26.254 940 HA PHE 133 HA PHE 133 -8.130 4.302 25.689 941 HB2 PHE 133 2HB PHE 133 -9.528 3.262 28.061 942 HB3 PHE 133 3HB PHE 133 -8.161 4.311 28.422 943 HD1 PHE 133 HD2 PHE 133 -8.127 6.446 26.700 944 HD2 PHE 133 HD1 PHE 133 -11.554 4.311 28.049 945 HE1 PHE 133 HE2 PHE 133 -9.527 8.421 26.259 946 HE2 PHE 133 HE1 PHE 133 -12.959 6.283 27.609 947 HZ PHE 133 HZ PHE 133 -11.946 8.341 26.714 948 H GLU 134 H GLU 134 -7.373 1.394 27.560 949 HA GLU 134 HA GLU 134 -4.855 2.152 28.496 950 HB2 GLU 134 2HB GLU 134 -6.034 0.173 29.318 951 HB3 GLU 134 3HB GLU 134 -5.849 -0.604 27.753 952 HG2 GLU 134 2HG GLU 134 -3.632 -1.049 28.074 953 HG3 GLU 134 3HG GLU 134 -3.406 0.307 29.177 954 H GLU 135 H GLU 135 -5.864 0.866 25.394 955 HA GLU 135 HA GLU 135 -3.272 0.269 24.410 956 HB2 GLU 135 2HB GLU 135 -5.999 0.331 23.373 957 HB3 GLU 135 3HB GLU 135 -4.812 0.843 22.182 958 HG2 GLU 135 2HG GLU 135 -4.405 -1.667 23.751 959 HG3 GLU 135 3HG GLU 135 -5.451 -1.647 22.333 960 H ILE 136 H ILE 136 -5.333 3.130 24.245 961 HA ILE 136 HA ILE 136 -3.692 4.605 22.470 962 HB ILE 136 HB ILE 136 -5.665 5.615 24.522 963 HG12 ILE 136 2HG1 ILE 136 -5.997 5.107 21.557 964 HG13 ILE 136 3HG1 ILE 136 -6.634 4.081 22.838 965 HG21 ILE 136 1HG2 ILE 136 -3.817 7.003 22.838 966 HG22 ILE 136 2HG2 ILE 136 -5.466 7.364 22.328 967 HG23 ILE 136 3HG2 ILE 136 -4.975 7.657 23.996 968 HD11 ILE 136 3HD1 ILE 136 -7.565 6.717 21.871 969 HD12 ILE 136 1HD1 ILE 136 -8.485 5.304 22.386 970 HD13 ILE 136 2HD1 ILE 136 -7.748 6.362 23.589 971 H SER 137 H SER 137 -3.975 4.596 26.012 972 HA SER 137 HA SER 137 -2.037 6.587 26.484 973 HB2 SER 137 2HB SER 137 -3.358 4.477 28.131 974 HB3 SER 137 3HB SER 137 -1.911 5.250 28.779 975 HG SER 137 HG SER 137 -3.297 6.716 29.390 976 H ARG 138 H ARG 138 -1.817 3.086 26.154 977 HA ARG 138 HA ARG 138 0.907 2.880 26.937 978 HB2 ARG 138 2HB ARG 138 -0.583 0.951 27.003 979 HB3 ARG 138 3HB ARG 138 -0.797 1.031 25.259 980 HG2 ARG 138 2HG ARG 138 1.988 0.812 26.174 981 HG3 ARG 138 3HG ARG 138 0.963 -0.587 26.503 982 HD2 ARG 138 2HD ARG 138 0.257 -0.417 24.053 983 HD3 ARG 138 3HD ARG 138 1.632 0.669 23.857 984 HE ARG 138 HE ARG 138 2.321 -1.823 25.101 985 HH11 ARG 138 1HH1 ARG 138 1.811 -0.199 22.064 986 HH12 ARG 138 2HH1 ARG 138 2.823 -1.282 21.166 987 HH21 ARG 138 1HH2 ARG 138 3.655 -3.255 23.930 988 HH22 ARG 138 2HH2 ARG 138 3.871 -3.020 22.229 989 H LYS 139 H LYS 139 -0.727 3.390 23.868 990 HA LYS 139 HA LYS 139 1.539 3.005 22.208 991 HB2 LYS 139 2HB LYS 139 -1.216 3.722 21.885 992 HB3 LYS 139 3HB LYS 139 -0.223 4.855 20.978 993 HG2 LYS 139 2HG LYS 139 -0.207 1.855 20.722 994 HG3 LYS 139 3HG LYS 139 -0.876 3.012 19.569 995 HD2 LYS 139 2HD LYS 139 1.685 3.917 19.857 996 HD3 LYS 139 3HD LYS 139 1.898 2.171 20.008 997 HE2 LYS 139 2HE LYS 139 0.990 1.769 17.880 998 HE3 LYS 139 3HE LYS 139 0.285 3.382 17.782 999 HZ1 LYS 139 3HZ LYS 139 3.079 3.583 18.115 1000 HZ2 LYS 139 1HZ LYS 139 2.123 4.123 16.827 1001 HZ3 LYS 139 2HZ LYS 139 2.748 2.551 16.815 1002 H VAL 140 H VAL 140 0.010 5.931 23.532 1003 HA VAL 140 HA VAL 140 1.844 7.757 22.398 1004 HB VAL 140 HB VAL 140 0.996 9.362 24.085 1005 HG11 VAL 140 1HG1 VAL 140 -0.194 8.808 21.926 1006 HG12 VAL 140 2HG1 VAL 140 -1.280 7.801 22.887 1007 HG13 VAL 140 3HG1 VAL 140 -1.186 9.537 23.189 1008 HG21 VAL 140 3HG2 VAL 140 0.703 7.942 25.989 1009 HG22 VAL 140 1HG2 VAL 140 -0.874 8.600 25.554 1010 HG23 VAL 140 2HG2 VAL 140 -0.463 6.939 25.127 1011 H LYS 141 H LYS 141 1.779 6.017 25.463 1012 HA LYS 141 HA LYS 141 3.954 7.375 26.663 1013 HB2 LYS 141 2HB LYS 141 2.537 4.788 27.164 1014 HB3 LYS 141 3HB LYS 141 4.056 5.106 27.991 1015 HG2 LYS 141 2HG LYS 141 2.673 7.428 28.407 1016 HG3 LYS 141 3HG LYS 141 1.398 6.208 28.458 1017 HD2 LYS 141 2HD LYS 141 3.446 5.078 29.933 1018 HD3 LYS 141 3HD LYS 141 3.503 6.785 30.378 1019 HE2 LYS 141 2HE LYS 141 1.915 6.189 31.860 1020 HE3 LYS 141 3HE LYS 141 0.841 6.341 30.470 1021 HZ1 LYS 141 3HZ LYS 141 2.020 3.768 30.528 1022 HZ2 LYS 141 1HZ LYS 141 0.382 4.191 30.578 1023 HZ3 LYS 141 2HZ LYS 141 1.273 4.090 32.012 1024 H SER 142 H SER 142 3.722 4.571 24.558 1025 HA SER 142 HA SER 142 6.413 3.719 24.856 1026 HB2 SER 142 2HB SER 142 4.215 3.153 22.902 1027 HB3 SER 142 3HB SER 142 5.857 2.636 22.523 1028 HG SER 142 HG SER 142 5.637 1.809 24.887 1029 H ASN 143 H ASN 143 4.801 6.000 22.736 1030 HA ASN 143 HA ASN 143 5.565 7.450 21.153 1031 HB2 ASN 143 2HB ASN 143 6.770 8.169 23.312 1032 HB3 ASN 143 3HB ASN 143 8.199 7.410 22.616 1033 HD21 ASN 143 1HD2 ASN 143 8.378 9.995 23.183 1034 HD22 ASN 143 2HD2 ASN 143 8.337 10.960 21.750 1035 H ARG 144 H ARG 144 5.966 4.596 20.664 1036 HA ARG 144 HA ARG 144 8.412 4.626 19.037 1037 HB2 ARG 144 2HB ARG 144 7.389 2.697 20.758 1038 HB3 ARG 144 3HB ARG 144 7.000 2.085 19.155 1039 HG2 ARG 144 2HG ARG 144 9.383 2.363 18.527 1040 HG3 ARG 144 3HG ARG 144 9.725 2.823 20.196 1041 HD2 ARG 144 2HD ARG 144 8.810 0.640 20.933 1042 HD3 ARG 144 3HD ARG 144 8.613 0.189 19.240 1043 HE ARG 144 HE ARG 144 11.278 0.973 19.712 1044 HH11 ARG 144 1HH1 ARG 144 9.053 -1.617 20.389 1045 HH12 ARG 144 2HH1 ARG 144 10.290 -2.825 20.502 1046 HH21 ARG 144 1HH2 ARG 144 12.916 -0.608 19.859 1047 HH22 ARG 144 2HH2 ARG 144 12.487 -2.249 20.202 Start of MODEL 19 1 H MET 9 H MET 9 1.067 -3.217 -4.319 2 HA MET 9 HA MET 9 0.623 -1.252 -5.389 3 HB2 MET 9 2HB MET 9 -2.212 -2.122 -4.800 4 HB3 MET 9 3HB MET 9 -1.752 -0.900 -5.977 5 HG2 MET 9 2HG MET 9 -0.756 -2.472 -7.392 6 HG3 MET 9 3HG MET 9 -0.702 -3.700 -6.130 7 HE1 MET 9 3HE MET 9 -3.812 -2.481 -9.023 8 HE2 MET 9 1HE MET 9 -2.061 -2.276 -8.965 9 HE3 MET 9 2HE MET 9 -2.751 -3.816 -9.477 10 H ALA 10 H ALA 10 1.412 0.374 -4.141 11 HA ALA 10 HA ALA 10 -0.115 1.350 -1.868 12 HB1 ALA 10 1HB ALA 10 2.323 1.139 -1.693 13 HB2 ALA 10 2HB ALA 10 2.511 2.324 -2.986 14 HB3 ALA 10 3HB ALA 10 1.787 2.802 -1.451 15 H MET 11 H MET 11 1.537 3.136 -4.468 16 HA MET 11 HA MET 11 -0.347 5.279 -4.331 17 HB2 MET 11 2HB MET 11 0.957 6.330 -6.025 18 HB3 MET 11 3HB MET 11 2.084 5.506 -4.955 19 HG2 MET 11 2HG MET 11 2.236 3.659 -6.558 20 HG3 MET 11 3HG MET 11 1.135 4.516 -7.633 21 HE1 MET 11 3HE MET 11 3.512 3.630 -9.048 22 HE2 MET 11 1HE MET 11 5.012 4.553 -8.952 23 HE3 MET 11 2HE MET 11 4.546 3.487 -7.626 24 H SER 12 H SER 12 -2.110 5.671 -5.541 25 HA SER 12 HA SER 12 -2.560 4.327 -8.053 26 HB2 SER 12 2HB SER 12 -3.366 2.908 -5.885 27 HB3 SER 12 3HB SER 12 -4.812 3.871 -6.190 28 HG SER 12 HG SER 12 -3.811 1.762 -7.582 29 H GLY 13 H GLY 13 -3.958 6.270 -5.437 30 HA2 GLY 13 2HA GLY 13 -4.576 8.445 -7.116 31 HA3 GLY 13 3HA GLY 13 -6.022 7.469 -6.903 32 H VAL 14 H VAL 14 -5.327 6.662 -4.188 33 HA VAL 14 HA VAL 14 -6.691 8.547 -2.715 34 HB VAL 14 HB VAL 14 -6.337 6.327 -1.842 35 HG11 VAL 14 1HG1 VAL 14 -4.227 5.473 -1.149 36 HG12 VAL 14 2HG1 VAL 14 -4.021 6.096 -2.788 37 HG13 VAL 14 3HG1 VAL 14 -3.441 7.030 -1.408 38 HG21 VAL 14 3HG2 VAL 14 -4.817 7.779 0.208 39 HG22 VAL 14 1HG2 VAL 14 -6.270 8.602 -0.359 40 HG23 VAL 14 2HG2 VAL 14 -6.383 6.975 0.312 41 H SER 15 H SER 15 -6.236 10.552 -2.117 42 HA SER 15 HA SER 15 -3.494 11.266 -1.403 43 HB2 SER 15 2HB SER 15 -4.920 12.215 -3.778 44 HB3 SER 15 3HB SER 15 -4.317 13.523 -2.760 45 HG SER 15 HG SER 15 -2.784 11.353 -3.763 46 H VAL 16 H VAL 16 -3.349 12.736 0.222 47 HA VAL 16 HA VAL 16 -5.706 13.277 1.743 48 HB VAL 16 HB VAL 16 -3.554 12.866 2.840 49 HG11 VAL 16 1HG1 VAL 16 -2.573 15.585 2.150 50 HG12 VAL 16 2HG1 VAL 16 -1.669 14.127 2.564 51 HG13 VAL 16 3HG1 VAL 16 -2.377 14.302 0.957 52 HG21 VAL 16 3HG2 VAL 16 -5.449 14.496 3.696 53 HG22 VAL 16 1HG2 VAL 16 -3.946 14.280 4.592 54 HG23 VAL 16 2HG2 VAL 16 -4.158 15.689 3.554 55 H ALA 17 H ALA 17 -6.976 15.021 1.737 56 HA ALA 17 HA ALA 17 -6.514 17.106 -0.195 57 HB1 ALA 17 1HB ALA 17 -8.696 17.997 0.911 58 HB2 ALA 17 2HB ALA 17 -8.749 16.549 -0.095 59 HB3 ALA 17 3HB ALA 17 -8.744 16.403 1.662 60 H ASP 18 H ASP 18 -6.563 19.389 0.321 61 HA ASP 18 HA ASP 18 -4.675 20.147 2.222 62 HB2 ASP 18 2HB ASP 18 -6.744 21.662 0.660 63 HB3 ASP 18 3HB ASP 18 -5.761 22.488 1.866 64 H GLU 19 H GLU 19 -8.184 19.989 2.427 65 HA GLU 19 HA GLU 19 -8.573 21.393 4.802 66 HB2 GLU 19 2HB GLU 19 -10.646 20.041 5.039 67 HB3 GLU 19 3HB GLU 19 -10.450 20.743 3.439 68 HG2 GLU 19 2HG GLU 19 -11.023 18.670 2.786 69 HG3 GLU 19 3HG GLU 19 -9.300 18.371 3.006 70 H CYS 20 H CYS 20 -7.825 17.968 4.283 71 HA CYS 20 HA CYS 20 -7.981 17.158 6.967 72 HB2 CYS 20 2HB CYS 20 -7.943 15.556 5.123 73 HB3 CYS 20 3HB CYS 20 -6.300 16.035 4.717 74 HG CYS 20 HG CYS 20 -5.077 14.479 6.369 75 H VAL 21 H VAL 21 -5.237 18.303 5.034 76 HA VAL 21 HA VAL 21 -3.237 17.966 6.959 77 HB VAL 21 HB VAL 21 -3.326 20.180 4.909 78 HG11 VAL 21 1HG1 VAL 21 -0.883 19.958 4.964 79 HG12 VAL 21 2HG1 VAL 21 -1.538 20.391 6.544 80 HG13 VAL 21 3HG1 VAL 21 -1.028 18.733 6.223 81 HG21 VAL 21 3HG2 VAL 21 -2.097 18.537 3.458 82 HG22 VAL 21 1HG2 VAL 21 -2.562 17.283 4.608 83 HG23 VAL 21 2HG2 VAL 21 -3.802 18.171 3.723 84 H THR 22 H THR 22 -5.356 20.733 6.304 85 HA THR 22 HA THR 22 -4.220 22.491 8.185 86 HB THR 22 HB THR 22 -7.085 22.421 7.218 87 HG1 THR 22 HG1 THR 22 -6.270 23.105 5.398 88 HG21 THR 22 3HG2 THR 22 -5.433 24.585 8.518 89 HG22 THR 22 1HG2 THR 22 -6.905 23.842 9.141 90 HG23 THR 22 2HG2 THR 22 -6.976 24.874 7.713 91 H ALA 23 H ALA 23 -6.982 20.268 8.434 92 HA ALA 23 HA ALA 23 -7.760 20.897 11.039 93 HB1 ALA 23 1HB ALA 23 -8.234 18.720 9.151 94 HB2 ALA 23 2HB ALA 23 -8.331 18.228 10.843 95 HB3 ALA 23 3HB ALA 23 -9.349 19.538 10.246 96 H LEU 24 H LEU 24 -5.396 18.525 9.873 97 HA LEU 24 HA LEU 24 -4.779 17.474 12.437 98 HB2 LEU 24 2HB LEU 24 -3.102 17.479 9.932 99 HB3 LEU 24 3HB LEU 24 -2.857 16.452 11.343 100 HG LEU 24 HG LEU 24 -5.441 16.310 9.848 101 HD11 LEU 24 1HD1 LEU 24 -4.089 14.299 8.710 102 HD12 LEU 24 2HD1 LEU 24 -2.784 15.475 8.866 103 HD13 LEU 24 3HD1 LEU 24 -4.248 15.894 7.975 104 HD21 LEU 24 3HD2 LEU 24 -3.900 14.679 11.776 105 HD22 LEU 24 1HD2 LEU 24 -4.814 13.808 10.545 106 HD23 LEU 24 2HD2 LEU 24 -5.641 14.925 11.631 107 H ASN 25 H ASN 25 -3.566 20.161 10.553 108 HA ASN 25 HA ASN 25 -1.199 20.628 12.023 109 HB2 ASN 25 2HB ASN 25 -1.924 21.590 9.734 110 HB3 ASN 25 3HB ASN 25 -2.776 22.809 10.677 111 HD21 ASN 25 1HD2 ASN 25 -1.490 24.471 9.928 112 HD22 ASN 25 2HD2 ASN 25 0.153 24.670 10.423 113 H ASP 26 H ASP 26 -4.469 21.982 12.291 114 HA ASP 26 HA ASP 26 -3.845 23.675 14.493 115 HB2 ASP 26 2HB ASP 26 -6.050 24.335 14.423 116 HB3 ASP 26 3HB ASP 26 -5.862 23.710 12.787 117 H LEU 27 H LEU 27 -5.169 20.423 14.182 118 HA LEU 27 HA LEU 27 -5.877 20.074 16.893 119 HB2 LEU 27 2HB LEU 27 -6.818 18.596 15.314 120 HB3 LEU 27 3HB LEU 27 -5.236 18.155 14.674 121 HG LEU 27 HG LEU 27 -5.294 17.422 17.415 122 HD11 LEU 27 1HD1 LEU 27 -7.675 16.420 15.861 123 HD12 LEU 27 2HD1 LEU 27 -7.731 17.497 17.255 124 HD13 LEU 27 3HD1 LEU 27 -7.148 15.844 17.442 125 HD21 LEU 27 3HD2 LEU 27 -5.605 15.456 15.197 126 HD22 LEU 27 1HD2 LEU 27 -4.548 15.410 16.608 127 HD23 LEU 27 2HD2 LEU 27 -4.159 16.466 15.250 128 H ARG 28 H ARG 28 -2.883 19.609 15.123 129 HA ARG 28 HA ARG 28 -1.484 18.139 17.070 130 HB2 ARG 28 2HB ARG 28 -0.643 19.910 14.797 131 HB3 ARG 28 3HB ARG 28 0.556 19.256 15.904 132 HG2 ARG 28 2HG ARG 28 0.159 17.065 15.241 133 HG3 ARG 28 3HG ARG 28 -1.416 17.460 14.550 134 HD2 ARG 28 2HD ARG 28 0.094 19.014 13.008 135 HD3 ARG 28 3HD ARG 28 1.305 17.799 13.416 136 HE ARG 28 HE ARG 28 -0.961 16.422 12.625 137 HH11 ARG 28 1HH1 ARG 28 1.286 18.687 11.232 138 HH12 ARG 28 2HH1 ARG 28 1.101 18.080 9.620 139 HH21 ARG 28 1HH2 ARG 28 -1.214 15.614 10.507 140 HH22 ARG 28 2HH2 ARG 28 -0.322 16.332 9.209 141 H HIS 29 H HIS 29 -2.316 21.484 16.854 142 HA HIS 29 HA HIS 29 -0.352 22.305 18.830 143 HB2 HIS 29 2HB HIS 29 -1.798 23.615 16.799 144 HB3 HIS 29 3HB HIS 29 -2.382 24.288 18.318 145 HD1 HIS 29 HD1 HIS 29 0.766 23.921 16.285 146 HD2 HIS 29 HD2 HIS 29 -0.625 25.978 19.616 147 HE1 HIS 29 HE1 HIS 29 2.555 25.601 16.833 148 H LYS 30 H LYS 30 -2.888 20.484 19.183 149 HA LYS 30 HA LYS 30 -4.310 19.976 20.884 150 HB2 LYS 30 2HB LYS 30 -2.891 22.051 22.545 151 HB3 LYS 30 3HB LYS 30 -3.713 20.596 23.095 152 HG2 LYS 30 2HG LYS 30 -1.744 19.587 23.118 153 HG3 LYS 30 3HG LYS 30 -1.732 19.691 21.356 154 HD2 LYS 30 2HD LYS 30 0.176 20.843 21.676 155 HD3 LYS 30 3HD LYS 30 -0.911 22.188 22.027 156 HE2 LYS 30 2HE LYS 30 -0.517 20.549 24.365 157 HE3 LYS 30 3HE LYS 30 1.030 21.082 23.710 158 HZ1 LYS 30 3HZ LYS 30 -1.223 22.940 24.209 159 HZ2 LYS 30 1HZ LYS 30 0.395 23.328 23.904 160 HZ3 LYS 30 2HZ LYS 30 -0.039 22.606 25.370 161 H LYS 31 H LYS 31 -5.003 22.058 19.008 162 HA LYS 31 HA LYS 31 -6.341 24.151 20.456 163 HB2 LYS 31 2HB LYS 31 -6.239 23.314 17.572 164 HB3 LYS 31 3HB LYS 31 -7.395 24.523 18.115 165 HG2 LYS 31 2HG LYS 31 -5.816 26.106 18.396 166 HG3 LYS 31 3HG LYS 31 -4.597 24.950 18.939 167 HD2 LYS 31 2HD LYS 31 -3.689 24.919 16.910 168 HD3 LYS 31 3HD LYS 31 -5.228 24.419 16.205 169 HE2 LYS 31 2HE LYS 31 -4.994 26.384 15.099 170 HE3 LYS 31 3HE LYS 31 -5.753 27.013 16.561 171 HZ1 LYS 31 3HZ LYS 31 -3.724 27.776 17.374 172 HZ2 LYS 31 1HZ LYS 31 -3.663 28.166 15.728 173 HZ3 LYS 31 2HZ LYS 31 -2.815 26.824 16.311 174 H SER 32 H SER 32 -7.842 22.051 18.030 175 HA SER 32 HA SER 32 -10.378 22.154 19.270 176 HB2 SER 32 2HB SER 32 -10.732 20.080 17.663 177 HB3 SER 32 3HB SER 32 -10.565 21.710 17.013 178 HG SER 32 HG SER 32 -9.212 20.221 15.930 179 H ARG 33 H ARG 33 -9.231 18.979 18.447 180 HA ARG 33 HA ARG 33 -8.488 17.993 20.935 181 HB2 ARG 33 2HB ARG 33 -11.192 18.632 20.946 182 HB3 ARG 33 3HB ARG 33 -11.171 16.897 20.663 183 HG2 ARG 33 2HG ARG 33 -11.029 16.696 22.873 184 HG3 ARG 33 3HG ARG 33 -9.349 17.207 22.694 185 HD2 ARG 33 2HD ARG 33 -9.755 19.290 23.495 186 HD3 ARG 33 3HD ARG 33 -11.380 19.351 22.814 187 HE ARG 33 HE ARG 33 -11.645 17.536 24.780 188 HH11 ARG 33 1HH1 ARG 33 -10.264 20.731 24.704 189 HH12 ARG 33 2HH1 ARG 33 -10.650 21.078 26.357 190 HH21 ARG 33 1HH2 ARG 33 -12.159 17.981 26.957 191 HH22 ARG 33 2HH2 ARG 33 -11.727 19.513 27.638 192 H TYR 34 H TYR 34 -10.834 16.897 18.477 193 HA TYR 34 HA TYR 34 -8.899 14.914 17.554 194 HB2 TYR 34 2HB TYR 34 -11.002 13.294 17.537 195 HB3 TYR 34 3HB TYR 34 -9.959 13.431 18.949 196 HD1 TYR 34 HD1 TYR 34 -13.141 14.676 17.489 197 HD2 TYR 34 HD2 TYR 34 -10.835 14.107 21.019 198 HE1 TYR 34 HE1 TYR 34 -15.087 15.307 18.854 199 HE2 TYR 34 HE2 TYR 34 -12.774 14.735 22.394 200 HH TYR 34 HH TYR 34 -15.063 15.000 22.338 201 H VAL 35 H VAL 35 -9.152 14.303 15.425 202 HA VAL 35 HA VAL 35 -11.379 15.535 13.945 203 HB VAL 35 HB VAL 35 -8.530 15.440 12.949 204 HG11 VAL 35 1HG1 VAL 35 -9.290 16.170 10.976 205 HG12 VAL 35 2HG1 VAL 35 -10.871 15.614 11.530 206 HG13 VAL 35 3HG1 VAL 35 -10.411 17.305 11.727 207 HG21 VAL 35 3HG2 VAL 35 -9.748 17.255 14.783 208 HG22 VAL 35 1HG2 VAL 35 -8.115 17.281 14.117 209 HG23 VAL 35 2HG2 VAL 35 -9.427 18.100 13.269 210 H ILE 36 H ILE 36 -12.520 14.002 12.980 211 HA ILE 36 HA ILE 36 -11.192 11.496 12.220 212 HB ILE 36 HB ILE 36 -14.166 11.929 12.265 213 HG12 ILE 36 2HG1 ILE 36 -12.368 11.131 14.561 214 HG13 ILE 36 3HG1 ILE 36 -13.401 12.553 14.475 215 HG21 ILE 36 1HG2 ILE 36 -12.610 9.839 11.398 216 HG22 ILE 36 2HG2 ILE 36 -13.071 9.339 13.025 217 HG23 ILE 36 3HG2 ILE 36 -14.314 9.741 11.840 218 HD11 ILE 36 3HD1 ILE 36 -15.372 11.108 14.456 219 HD12 ILE 36 1HD1 ILE 36 -14.328 9.692 14.568 220 HD13 ILE 36 2HD1 ILE 36 -14.381 10.855 15.892 221 H MET 37 H MET 37 -10.941 10.940 10.149 222 HA MET 37 HA MET 37 -12.563 12.277 8.104 223 HB2 MET 37 2HB MET 37 -10.315 12.269 6.738 224 HB3 MET 37 3HB MET 37 -10.693 13.592 7.834 225 HG2 MET 37 2HG MET 37 -9.195 11.297 8.949 226 HG3 MET 37 3HG MET 37 -8.345 12.354 7.823 227 HE1 MET 37 3HE MET 37 -6.764 12.460 10.171 228 HE2 MET 37 1HE MET 37 -7.335 13.255 11.638 229 HE3 MET 37 2HE MET 37 -8.010 11.698 11.160 230 H HIS 38 H HIS 38 -12.634 11.150 6.065 231 HA HIS 38 HA HIS 38 -11.722 8.362 6.158 232 HB2 HIS 38 2HB HIS 38 -13.842 7.507 5.474 233 HB3 HIS 38 3HB HIS 38 -14.142 8.555 6.858 234 HD1 HIS 38 HD1 HIS 38 -15.799 7.747 3.985 235 HD2 HIS 38 HD2 HIS 38 -14.549 11.409 5.497 236 HE1 HIS 38 HE1 HIS 38 -17.259 9.466 2.874 237 H ILE 39 H ILE 39 -12.002 7.296 3.959 238 HA ILE 39 HA ILE 39 -10.871 9.077 1.972 239 HB ILE 39 HB ILE 39 -11.454 6.138 1.644 240 HG12 ILE 39 2HG1 ILE 39 -8.936 7.434 2.712 241 HG13 ILE 39 3HG1 ILE 39 -10.092 6.516 3.672 242 HG21 ILE 39 1HG2 ILE 39 -9.325 7.821 0.345 243 HG22 ILE 39 2HG2 ILE 39 -9.839 6.193 -0.092 244 HG23 ILE 39 3HG2 ILE 39 -10.919 7.560 -0.363 245 HD11 ILE 39 3HD1 ILE 39 -7.890 5.592 2.083 246 HD12 ILE 39 1HD1 ILE 39 -8.886 4.715 3.244 247 HD13 ILE 39 2HD1 ILE 39 -9.395 4.839 1.559 248 H VAL 40 H VAL 40 -11.945 9.970 0.338 249 HA VAL 40 HA VAL 40 -14.686 9.040 -0.199 250 HB VAL 40 HB VAL 40 -13.455 11.738 -0.782 251 HG11 VAL 40 1HG1 VAL 40 -15.960 10.447 -1.606 252 HG12 VAL 40 2HG1 VAL 40 -16.141 12.075 -0.949 253 HG13 VAL 40 3HG1 VAL 40 -15.083 11.793 -2.332 254 HG21 VAL 40 3HG2 VAL 40 -13.745 11.626 1.547 255 HG22 VAL 40 1HG2 VAL 40 -15.180 12.461 0.951 256 HG23 VAL 40 2HG2 VAL 40 -15.273 10.758 1.400 257 H ASP 41 H ASP 41 -15.148 8.169 -2.112 258 HA ASP 41 HA ASP 41 -14.960 7.442 -4.259 259 HB2 ASP 41 2HB ASP 41 -14.212 10.184 -4.300 260 HB3 ASP 41 3HB ASP 41 -13.120 9.321 -5.379 261 H GLN 42 H GLN 42 -12.791 6.979 -2.114 262 HA GLN 42 HA GLN 42 -10.771 5.935 -1.916 263 HB2 GLN 42 2HB GLN 42 -11.512 4.685 -4.562 264 HB3 GLN 42 3HB GLN 42 -10.477 4.005 -3.314 265 HG2 GLN 42 2HG GLN 42 -12.373 2.856 -2.868 266 HG3 GLN 42 3HG GLN 42 -12.670 4.273 -1.862 267 HE21 GLN 42 1HE2 GLN 42 -14.709 4.849 -1.974 268 HE22 GLN 42 2HE2 GLN 42 -15.689 4.869 -3.396 269 H LYS 43 H LYS 43 -10.752 8.502 -3.282 270 HA LYS 43 HA LYS 43 -8.174 8.208 -4.632 271 HB2 LYS 43 2HB LYS 43 -10.612 8.830 -5.976 272 HB3 LYS 43 3HB LYS 43 -9.601 10.269 -5.982 273 HG2 LYS 43 2HG LYS 43 -7.942 9.262 -7.228 274 HG3 LYS 43 3HG LYS 43 -8.438 7.633 -6.763 275 HD2 LYS 43 2HD LYS 43 -10.661 8.612 -8.055 276 HD3 LYS 43 3HD LYS 43 -9.329 9.303 -8.984 277 HE2 LYS 43 2HE LYS 43 -8.362 7.071 -9.251 278 HE3 LYS 43 3HE LYS 43 -9.689 6.382 -8.317 279 HZ1 LYS 43 3HZ LYS 43 -10.502 7.998 -10.573 280 HZ2 LYS 43 1HZ LYS 43 -11.075 6.493 -10.056 281 HZ3 LYS 43 2HZ LYS 43 -9.666 6.587 -10.987 282 H SER 44 H SER 44 -10.587 10.373 -3.223 283 HA SER 44 HA SER 44 -8.382 12.106 -2.321 284 HB2 SER 44 2HB SER 44 -10.530 12.815 -4.015 285 HB3 SER 44 3HB SER 44 -10.864 13.555 -2.450 286 HG SER 44 HG SER 44 -8.556 14.255 -2.599 287 H ILE 45 H ILE 45 -8.241 12.350 -0.191 288 HA ILE 45 HA ILE 45 -10.211 11.135 1.526 289 HB ILE 45 HB ILE 45 -7.728 12.685 2.271 290 HG12 ILE 45 2HG1 ILE 45 -8.124 9.691 2.119 291 HG13 ILE 45 3HG1 ILE 45 -7.333 10.643 0.869 292 HG21 ILE 45 1HG2 ILE 45 -9.885 11.705 3.837 293 HG22 ILE 45 2HG2 ILE 45 -8.456 10.739 4.199 294 HG23 ILE 45 3HG2 ILE 45 -8.402 12.493 4.375 295 HD11 ILE 45 3HD1 ILE 45 -6.171 11.183 3.441 296 HD12 ILE 45 1HD1 ILE 45 -6.156 9.455 3.090 297 HD13 ILE 45 2HD1 ILE 45 -5.412 10.591 1.964 298 H ALA 46 H ALA 46 -11.769 12.115 2.663 299 HA ALA 46 HA ALA 46 -11.713 15.046 2.897 300 HB1 ALA 46 1HB ALA 46 -14.348 13.748 2.488 301 HB2 ALA 46 2HB ALA 46 -13.784 15.348 2.007 302 HB3 ALA 46 3HB ALA 46 -13.297 13.928 1.083 303 H VAL 47 H VAL 47 -12.924 15.907 4.669 304 HA VAL 47 HA VAL 47 -12.832 14.214 6.994 305 HB VAL 47 HB VAL 47 -12.127 16.542 7.170 306 HG11 VAL 47 1HG1 VAL 47 -13.780 18.361 7.057 307 HG12 VAL 47 2HG1 VAL 47 -13.593 17.533 5.510 308 HG13 VAL 47 3HG1 VAL 47 -14.998 17.203 6.524 309 HG21 VAL 47 3HG2 VAL 47 -14.640 16.390 8.782 310 HG22 VAL 47 1HG2 VAL 47 -13.343 15.227 9.053 311 HG23 VAL 47 2HG2 VAL 47 -13.037 16.952 9.257 312 H LYS 48 H LYS 48 -14.501 13.379 8.146 313 HA LYS 48 HA LYS 48 -17.158 13.556 6.910 314 HB2 LYS 48 2HB LYS 48 -15.964 11.316 7.295 315 HB3 LYS 48 3HB LYS 48 -16.310 11.561 9.002 316 HG2 LYS 48 2HG LYS 48 -18.140 10.352 8.470 317 HG3 LYS 48 3HG LYS 48 -18.762 11.945 8.032 318 HD2 LYS 48 2HD LYS 48 -18.165 11.566 5.708 319 HD3 LYS 48 3HD LYS 48 -17.455 10.004 6.125 320 HE2 LYS 48 2HE LYS 48 -19.956 9.758 7.166 321 HE3 LYS 48 3HE LYS 48 -20.266 10.772 5.757 322 HZ1 LYS 48 3HZ LYS 48 -20.207 8.932 4.550 323 HZ2 LYS 48 1HZ LYS 48 -19.707 7.997 5.868 324 HZ3 LYS 48 2HZ LYS 48 -18.560 8.779 4.902 325 H THR 49 H THR 49 -15.506 13.767 10.033 326 HA THR 49 HA THR 49 -17.409 15.685 10.992 327 HB THR 49 HB THR 49 -17.463 12.878 12.061 328 HG1 THR 49 HG1 THR 49 -19.075 13.563 10.562 329 HG21 THR 49 3HG2 THR 49 -18.951 14.143 13.883 330 HG22 THR 49 1HG2 THR 49 -17.771 15.414 13.567 331 HG23 THR 49 2HG2 THR 49 -17.232 13.828 14.118 332 H ILE 50 H ILE 50 -15.970 17.105 11.747 333 HA ILE 50 HA ILE 50 -13.669 16.136 13.285 334 HB ILE 50 HB ILE 50 -13.218 17.675 11.402 335 HG12 ILE 50 2HG1 ILE 50 -12.616 18.803 14.145 336 HG13 ILE 50 3HG1 ILE 50 -11.675 17.577 13.301 337 HG21 ILE 50 1HG2 ILE 50 -14.590 19.793 13.041 338 HG22 ILE 50 2HG2 ILE 50 -13.918 19.945 11.419 339 HG23 ILE 50 3HG2 ILE 50 -15.357 18.962 11.688 340 HD11 ILE 50 3HD1 ILE 50 -10.614 19.751 13.161 341 HD12 ILE 50 1HD1 ILE 50 -11.122 19.199 11.566 342 HD13 ILE 50 2HD1 ILE 50 -12.063 20.426 12.415 343 H GLY 51 H GLY 51 -13.439 16.517 15.413 344 HA2 GLY 51 2HA GLY 51 -15.689 17.585 16.864 345 HA3 GLY 51 3HA GLY 51 -14.218 16.920 17.558 346 H GLU 52 H GLU 52 -14.091 18.611 19.069 347 HA GLU 52 HA GLU 52 -12.477 20.772 18.345 348 HB2 GLU 52 2HB GLU 52 -14.155 22.624 18.811 349 HB3 GLU 52 3HB GLU 52 -14.292 21.817 17.256 350 HG2 GLU 52 2HG GLU 52 -16.100 20.410 18.208 351 HG3 GLU 52 3HG GLU 52 -16.014 21.373 19.682 352 H ARG 53 H ARG 53 -15.106 19.883 20.567 353 HA ARG 53 HA ARG 53 -13.270 20.154 22.809 354 HB2 ARG 53 2HB ARG 53 -15.742 21.822 22.435 355 HB3 ARG 53 3HB ARG 53 -15.155 21.433 24.047 356 HG2 ARG 53 2HG ARG 53 -13.423 22.727 21.963 357 HG3 ARG 53 3HG ARG 53 -14.426 23.648 23.085 358 HD2 ARG 53 2HD ARG 53 -12.773 21.590 24.354 359 HD3 ARG 53 3HD ARG 53 -11.853 22.862 23.551 360 HE ARG 53 HE ARG 53 -13.961 23.824 25.263 361 HH11 ARG 53 1HH1 ARG 53 -10.624 22.852 25.065 362 HH12 ARG 53 2HH1 ARG 53 -10.142 23.756 26.462 363 HH21 ARG 53 1HH2 ARG 53 -13.339 25.019 27.103 364 HH22 ARG 53 2HH2 ARG 53 -11.688 24.988 27.621 365 H GLY 54 H GLY 54 -16.533 19.350 21.689 366 HA2 GLY 54 2HA GLY 54 -16.457 16.868 23.157 367 HA3 GLY 54 3HA GLY 54 -17.615 18.025 23.796 368 H ALA 55 H ALA 55 -16.768 16.028 21.045 369 HA ALA 55 HA ALA 55 -19.031 16.726 19.459 370 HB1 ALA 55 1HB ALA 55 -18.376 14.389 18.404 371 HB2 ALA 55 2HB ALA 55 -17.404 15.836 18.133 372 HB3 ALA 55 3HB ALA 55 -16.907 14.654 19.343 373 H ASN 56 H ASN 56 -21.034 15.865 19.379 374 HA ASN 56 HA ASN 56 -21.961 14.330 21.592 375 HB2 ASN 56 2HB ASN 56 -23.322 15.148 19.017 376 HB3 ASN 56 3HB ASN 56 -24.141 14.353 20.359 377 HD21 ASN 56 1HD2 ASN 56 -24.944 15.571 21.929 378 HD22 ASN 56 2HD2 ASN 56 -24.636 17.258 22.146 379 H PHE 57 H PHE 57 -22.876 12.241 21.583 380 HA PHE 57 HA PHE 57 -21.418 10.295 20.192 381 HB2 PHE 57 2HB PHE 57 -22.997 8.681 21.128 382 HB3 PHE 57 3HB PHE 57 -22.540 9.871 22.343 383 HD1 PHE 57 HD1 PHE 57 -24.132 11.577 23.072 384 HD2 PHE 57 HD2 PHE 57 -25.238 8.531 20.313 385 HE1 PHE 57 HE1 PHE 57 -26.507 12.075 23.480 386 HE2 PHE 57 HE2 PHE 57 -27.615 9.024 20.716 387 HZ PHE 57 HZ PHE 57 -28.252 10.798 22.301 388 H ASP 58 H ASP 58 -24.529 11.790 19.531 389 HA ASP 58 HA ASP 58 -25.469 10.066 17.553 390 HB2 ASP 58 2HB ASP 58 -26.364 12.392 18.694 391 HB3 ASP 58 3HB ASP 58 -26.002 12.911 17.051 392 H GLN 59 H GLN 59 -23.412 12.947 17.249 393 HA GLN 59 HA GLN 59 -23.143 12.720 14.419 394 HB2 GLN 59 2HB GLN 59 -21.466 14.237 16.425 395 HB3 GLN 59 3HB GLN 59 -21.373 14.425 14.679 396 HG2 GLN 59 2HG GLN 59 -23.978 14.825 16.076 397 HG3 GLN 59 3HG GLN 59 -22.757 16.097 16.104 398 HE21 GLN 59 1HE2 GLN 59 -24.375 17.337 14.956 399 HE22 GLN 59 2HE2 GLN 59 -24.517 17.165 13.243 400 H PHE 60 H PHE 60 -21.290 11.601 17.185 401 HA PHE 60 HA PHE 60 -18.928 10.866 15.900 402 HB2 PHE 60 2HB PHE 60 -20.278 10.185 18.426 403 HB3 PHE 60 3HB PHE 60 -19.178 8.946 17.829 404 HD1 PHE 60 HD1 PHE 60 -16.936 10.229 16.760 405 HD2 PHE 60 HD2 PHE 60 -19.325 11.472 20.056 406 HE1 PHE 60 HE1 PHE 60 -15.026 11.487 17.667 407 HE2 PHE 60 HE2 PHE 60 -17.419 12.732 20.967 408 HZ PHE 60 HZ PHE 60 -15.266 12.741 19.772 409 H ILE 61 H ILE 61 -21.818 8.893 16.557 410 HA ILE 61 HA ILE 61 -20.829 6.657 15.064 411 HB ILE 61 HB ILE 61 -23.624 7.229 16.057 412 HG12 ILE 61 2HG1 ILE 61 -22.028 7.083 17.889 413 HG13 ILE 61 3HG1 ILE 61 -23.032 5.637 17.861 414 HG21 ILE 61 1HG2 ILE 61 -23.790 5.634 14.313 415 HG22 ILE 61 2HG2 ILE 61 -22.372 4.757 14.887 416 HG23 ILE 61 3HG2 ILE 61 -23.865 4.731 15.825 417 HD11 ILE 61 3HD1 ILE 61 -20.155 5.930 17.544 418 HD12 ILE 61 1HD1 ILE 61 -21.110 4.530 18.030 419 HD13 ILE 61 2HD1 ILE 61 -20.898 4.902 16.319 420 H GLU 62 H GLU 62 -22.904 9.400 14.407 421 HA GLU 62 HA GLU 62 -24.112 8.518 12.045 422 HB2 GLU 62 2HB GLU 62 -23.560 11.150 13.293 423 HB3 GLU 62 3HB GLU 62 -23.903 11.159 11.569 424 HG2 GLU 62 2HG GLU 62 -25.699 9.744 13.500 425 HG3 GLU 62 3HG GLU 62 -25.847 11.476 13.203 426 H ALA 63 H ALA 63 -20.995 10.083 12.600 427 HA ALA 63 HA ALA 63 -20.374 10.134 9.771 428 HB1 ALA 63 1HB ALA 63 -19.587 11.686 11.864 429 HB2 ALA 63 2HB ALA 63 -18.187 10.634 11.655 430 HB3 ALA 63 3HB ALA 63 -18.768 11.606 10.303 431 H ILE 64 H ILE 64 -19.110 8.495 12.668 432 HA ILE 64 HA ILE 64 -17.300 6.856 11.188 433 HB ILE 64 HB ILE 64 -18.329 6.413 13.992 434 HG12 ILE 64 2HG1 ILE 64 -15.825 7.869 13.122 435 HG13 ILE 64 3HG1 ILE 64 -17.311 8.674 13.614 436 HG21 ILE 64 1HG2 ILE 64 -16.728 4.817 12.353 437 HG22 ILE 64 2HG2 ILE 64 -15.618 5.596 13.479 438 HG23 ILE 64 3HG2 ILE 64 -16.977 4.653 14.091 439 HD11 ILE 64 3HD1 ILE 64 -15.397 7.081 15.266 440 HD12 ILE 64 1HD1 ILE 64 -15.997 8.720 15.520 441 HD13 ILE 64 2HD1 ILE 64 -17.060 7.339 15.793 442 H ASP 65 H ASP 65 -17.723 5.061 10.096 443 HA ASP 65 HA ASP 65 -20.113 3.497 10.810 444 HB2 ASP 65 2HB ASP 65 -19.708 4.937 8.414 445 HB3 ASP 65 3HB ASP 65 -19.512 3.234 8.010 446 H LYS 66 H LYS 66 -20.010 1.269 9.687 447 HA LYS 66 HA LYS 66 -17.278 0.223 10.029 448 HB2 LYS 66 2HB LYS 66 -18.711 -0.678 11.718 449 HB3 LYS 66 3HB LYS 66 -19.966 -1.049 10.543 450 HG2 LYS 66 2HG LYS 66 -19.110 -3.057 10.183 451 HG3 LYS 66 3HG LYS 66 -17.528 -2.367 9.812 452 HD2 LYS 66 2HD LYS 66 -16.740 -2.693 11.926 453 HD3 LYS 66 3HD LYS 66 -18.329 -2.489 12.667 454 HE2 LYS 66 2HE LYS 66 -18.971 -4.687 12.149 455 HE3 LYS 66 3HE LYS 66 -17.667 -4.883 10.979 456 HZ1 LYS 66 3HZ LYS 66 -17.454 -4.803 13.933 457 HZ2 LYS 66 1HZ LYS 66 -16.110 -4.666 12.915 458 HZ3 LYS 66 2HZ LYS 66 -17.044 -6.075 12.896 459 H ASN 67 H ASN 67 -16.701 0.561 7.848 460 HA ASN 67 HA ASN 67 -17.110 -1.611 6.139 461 HB2 ASN 67 2HB ASN 67 -19.303 -0.932 5.645 462 HB3 ASN 67 3HB ASN 67 -18.869 0.775 5.632 463 HD21 ASN 67 1HD2 ASN 67 -19.175 1.522 3.665 464 HD22 ASN 67 2HD2 ASN 67 -18.668 0.762 2.199 465 H VAL 68 H VAL 68 -16.938 1.901 5.529 466 HA VAL 68 HA VAL 68 -14.659 1.532 3.793 467 HB VAL 68 HB VAL 68 -14.748 4.023 3.570 468 HG11 VAL 68 1HG1 VAL 68 -16.359 2.095 2.461 469 HG12 VAL 68 2HG1 VAL 68 -17.517 3.314 2.997 470 HG13 VAL 68 3HG1 VAL 68 -16.209 3.760 1.900 471 HG21 VAL 68 3HG2 VAL 68 -17.405 4.187 4.797 472 HG22 VAL 68 1HG2 VAL 68 -16.083 3.962 5.944 473 HG23 VAL 68 2HG2 VAL 68 -16.065 5.333 4.833 474 HA PRO 69 HA PRO 69 -11.435 2.336 6.664 475 HB2 PRO 69 2HB PRO 69 -9.657 3.662 5.098 476 HB3 PRO 69 3HB PRO 69 -9.966 1.929 4.945 477 HG2 PRO 69 2HG PRO 69 -11.042 4.196 3.314 478 HG3 PRO 69 3HG PRO 69 -10.439 2.619 2.775 479 HD2 PRO 69 2HD PRO 69 -13.080 3.167 3.003 480 HD3 PRO 69 3HD PRO 69 -12.413 1.547 3.289 481 H CYS 70 H CYS 70 -11.430 3.761 8.275 482 HA CYS 70 HA CYS 70 -11.381 6.623 7.655 483 HB2 CYS 70 2HB CYS 70 -13.174 5.482 9.800 484 HB3 CYS 70 3HB CYS 70 -13.094 7.150 9.246 485 HG CYS 70 HG CYS 70 -13.808 5.750 6.547 486 H TYR 71 H TYR 71 -10.136 7.833 9.007 487 HA TYR 71 HA TYR 71 -8.989 6.491 11.361 488 HB2 TYR 71 2HB TYR 71 -6.806 7.558 10.817 489 HB3 TYR 71 3HB TYR 71 -7.315 6.370 9.621 490 HD1 TYR 71 HD2 TYR 71 -8.411 7.232 7.481 491 HD2 TYR 71 HD1 TYR 71 -6.291 9.752 10.176 492 HE1 TYR 71 HE2 TYR 71 -8.151 8.909 5.701 493 HE2 TYR 71 HE1 TYR 71 -6.026 11.436 8.403 494 HH TYR 71 HH TYR 71 -6.036 11.169 5.596 495 H ALA 72 H ALA 72 -8.663 7.750 13.145 496 HA ALA 72 HA ALA 72 -9.409 10.593 12.922 497 HB1 ALA 72 1HB ALA 72 -10.119 8.743 15.195 498 HB2 ALA 72 2HB ALA 72 -10.545 10.449 15.058 499 HB3 ALA 72 3HB ALA 72 -11.226 9.277 13.930 500 H ALA 73 H ALA 73 -8.132 12.037 13.952 501 HA ALA 73 HA ALA 73 -5.803 10.957 15.387 502 HB1 ALA 73 1HB ALA 73 -6.197 13.274 13.582 503 HB2 ALA 73 2HB ALA 73 -5.031 13.454 14.894 504 HB3 ALA 73 3HB ALA 73 -4.839 12.156 13.715 505 H PHE 74 H PHE 74 -5.776 11.191 17.516 506 HA PHE 74 HA PHE 74 -7.357 13.365 18.716 507 HB2 PHE 74 2HB PHE 74 -6.704 10.589 19.655 508 HB3 PHE 74 3HB PHE 74 -7.126 11.843 20.815 509 HD1 PHE 74 HD2 PHE 74 -8.414 10.725 17.492 510 HD2 PHE 74 HD1 PHE 74 -9.292 11.736 21.532 511 HE1 PHE 74 HE2 PHE 74 -10.802 10.299 17.076 512 HE2 PHE 74 HE1 PHE 74 -11.680 11.310 21.124 513 HZ PHE 74 HZ PHE 74 -12.438 10.592 18.893 514 H ASP 75 H ASP 75 -6.356 14.873 19.897 515 HA ASP 75 HA ASP 75 -3.475 14.544 20.371 516 HB2 ASP 75 2HB ASP 75 -3.782 16.477 19.080 517 HB3 ASP 75 3HB ASP 75 -5.225 16.954 19.970 518 H PHE 76 H PHE 76 -2.816 14.161 22.370 519 HA PHE 76 HA PHE 76 -4.511 15.060 24.607 520 HB2 PHE 76 2HB PHE 76 -4.451 12.564 24.237 521 HB3 PHE 76 3HB PHE 76 -2.735 12.617 24.626 522 HD1 PHE 76 HD2 PHE 76 -6.001 13.741 26.036 523 HD2 PHE 76 HD1 PHE 76 -2.111 12.187 26.789 524 HE1 PHE 76 HE2 PHE 76 -6.543 13.554 28.428 525 HE2 PHE 76 HE1 PHE 76 -2.647 11.997 29.183 526 HZ PHE 76 HZ PHE 76 -4.865 12.682 30.006 527 H GLU 77 H GLU 77 -3.569 16.645 25.695 528 HA GLU 77 HA GLU 77 -0.686 16.990 25.597 529 HB2 GLU 77 2HB GLU 77 -1.173 19.102 26.846 530 HB3 GLU 77 3HB GLU 77 -1.979 18.982 25.288 531 HG2 GLU 77 2HG GLU 77 -4.004 19.083 26.202 532 HG3 GLU 77 3HG GLU 77 -3.585 17.940 27.477 533 H TYR 78 H TYR 78 0.692 16.480 27.177 534 HA TYR 78 HA TYR 78 -0.198 16.226 29.922 535 HB2 TYR 78 2HB TYR 78 -0.592 13.989 28.694 536 HB3 TYR 78 3HB TYR 78 1.162 13.838 28.695 537 HD1 TYR 78 HD2 TYR 78 -1.382 14.914 31.223 538 HD2 TYR 78 HD1 TYR 78 1.899 12.366 30.302 539 HE1 TYR 78 HE2 TYR 78 -1.468 13.989 33.500 540 HE2 TYR 78 HE1 TYR 78 1.822 11.434 32.576 541 HH TYR 78 HH TYR 78 -0.509 12.630 34.973 542 H THR 79 H THR 79 1.623 15.816 31.408 543 HA THR 79 HA THR 79 3.963 17.280 30.518 544 HB THR 79 HB THR 79 3.106 17.921 32.663 545 HG1 THR 79 HG1 THR 79 5.413 16.336 33.178 546 HG21 THR 79 3HG2 THR 79 1.929 16.289 33.697 547 HG22 THR 79 1HG2 THR 79 3.471 15.959 34.485 548 HG23 THR 79 2HG2 THR 79 2.973 15.005 33.088 549 H THR 80 H THR 80 4.281 15.250 29.047 550 HA THR 80 HA THR 80 5.471 12.959 30.308 551 HB THR 80 HB THR 80 6.014 12.228 28.015 552 HG1 THR 80 HG1 THR 80 6.262 13.788 26.610 553 HG21 THR 80 3HG2 THR 80 3.745 11.946 27.231 554 HG22 THR 80 1HG2 THR 80 3.198 13.299 28.220 555 HG23 THR 80 2HG2 THR 80 3.768 11.818 28.990 556 H ASN 81 H ASN 81 6.705 15.636 28.309 557 HA ASN 81 HA ASN 81 9.440 14.849 28.695 558 HB2 ASN 81 2HB ASN 81 8.364 16.157 26.705 559 HB3 ASN 81 3HB ASN 81 8.621 17.568 27.727 560 HD21 ASN 81 1HD2 ASN 81 10.742 18.163 28.276 561 HD22 ASN 81 2HD2 ASN 81 12.094 17.634 27.339 562 H ASP 82 H ASP 82 7.251 17.227 30.079 563 HA ASP 82 HA ASP 82 8.565 17.386 32.528 564 HB2 ASP 82 2HB ASP 82 10.407 18.483 31.498 565 HB3 ASP 82 3HB ASP 82 9.349 19.529 30.555 566 H GLY 83 H GLY 83 6.581 18.990 30.122 567 HA2 GLY 83 2HA GLY 83 4.399 19.329 31.855 568 HA3 GLY 83 3HA GLY 83 5.288 20.843 31.792 569 HA PRO 84 HA PRO 84 3.191 21.990 28.123 570 HB2 PRO 84 2HB PRO 84 5.118 23.326 26.754 571 HB3 PRO 84 3HB PRO 84 4.343 23.976 28.203 572 HG2 PRO 84 2HG PRO 84 6.989 22.605 27.925 573 HG3 PRO 84 3HG PRO 84 6.570 24.046 28.869 574 HD2 PRO 84 2HD PRO 84 6.819 21.593 29.988 575 HD3 PRO 84 3HD PRO 84 5.677 22.808 30.597 576 H ARG 85 H ARG 85 3.337 19.501 27.683 577 HA ARG 85 HA ARG 85 4.477 19.211 25.001 578 HB2 ARG 85 2HB ARG 85 5.552 17.957 27.287 579 HB3 ARG 85 3HB ARG 85 4.682 16.708 26.407 580 HG2 ARG 85 2HG ARG 85 6.239 18.295 24.592 581 HG3 ARG 85 3HG ARG 85 7.251 17.681 25.901 582 HD2 ARG 85 2HD ARG 85 6.149 15.419 25.443 583 HD3 ARG 85 3HD ARG 85 5.581 16.139 23.938 584 HE ARG 85 HE ARG 85 8.279 16.622 23.991 585 HH11 ARG 85 1HH1 ARG 85 6.243 13.802 24.126 586 HH12 ARG 85 2HH1 ARG 85 7.404 12.766 23.363 587 HH21 ARG 85 1HH2 ARG 85 9.816 15.270 22.986 588 HH22 ARG 85 2HH2 ARG 85 9.437 13.602 22.716 589 H ASP 86 H ASP 86 3.389 17.735 23.663 590 HA ASP 86 HA ASP 86 1.005 16.427 24.718 591 HB2 ASP 86 2HB ASP 86 -0.493 17.420 23.126 592 HB3 ASP 86 3HB ASP 86 0.335 18.726 23.970 593 H LYS 87 H LYS 87 0.380 14.626 23.579 594 HA LYS 87 HA LYS 87 2.090 13.893 21.292 595 HB2 LYS 87 2HB LYS 87 1.838 12.595 23.749 596 HB3 LYS 87 3HB LYS 87 0.864 11.634 22.644 597 HG2 LYS 87 2HG LYS 87 3.138 10.796 22.759 598 HG3 LYS 87 3HG LYS 87 2.775 11.408 21.144 599 HD2 LYS 87 2HD LYS 87 3.800 13.585 22.593 600 HD3 LYS 87 3HD LYS 87 4.839 12.209 22.974 601 HE2 LYS 87 2HE LYS 87 5.429 11.888 20.736 602 HE3 LYS 87 3HE LYS 87 4.063 12.834 20.146 603 HZ1 LYS 87 3HZ LYS 87 5.527 14.559 21.706 604 HZ2 LYS 87 1HZ LYS 87 5.457 14.535 20.016 605 HZ3 LYS 87 2HZ LYS 87 6.684 13.697 20.823 606 H LEU 88 H LEU 88 1.143 13.056 19.486 607 HA LEU 88 HA LEU 88 -1.799 13.064 19.447 608 HB2 LEU 88 2HB LEU 88 0.281 13.876 17.508 609 HB3 LEU 88 3HB LEU 88 -1.158 13.106 16.844 610 HG LEU 88 HG LEU 88 -2.416 14.904 18.273 611 HD11 LEU 88 1HD1 LEU 88 -1.263 16.926 18.645 612 HD12 LEU 88 2HD1 LEU 88 0.154 16.374 17.753 613 HD13 LEU 88 3HD1 LEU 88 -0.238 15.657 19.316 614 HD21 LEU 88 3HD2 LEU 88 -2.582 14.783 15.881 615 HD22 LEU 88 1HD2 LEU 88 -0.971 15.475 15.689 616 HD23 LEU 88 2HD2 LEU 88 -2.282 16.460 16.339 617 H ILE 89 H ILE 89 -2.904 11.286 18.850 618 HA ILE 89 HA ILE 89 -1.349 8.969 17.901 619 HB ILE 89 HB ILE 89 -3.778 8.802 19.681 620 HG12 ILE 89 2HG1 ILE 89 -1.697 7.903 21.199 621 HG13 ILE 89 3HG1 ILE 89 -0.929 9.216 20.315 622 HG21 ILE 89 1HG2 ILE 89 -1.794 6.788 18.658 623 HG22 ILE 89 2HG2 ILE 89 -2.862 6.467 20.023 624 HG23 ILE 89 3HG2 ILE 89 -3.543 6.812 18.433 625 HD11 ILE 89 3HD1 ILE 89 -1.834 10.685 21.689 626 HD12 ILE 89 1HD1 ILE 89 -3.450 10.119 21.266 627 HD13 ILE 89 2HD1 ILE 89 -2.571 9.366 22.597 628 H LEU 90 H LEU 90 -2.385 7.547 16.460 629 HA LEU 90 HA LEU 90 -4.803 8.649 15.186 630 HB2 LEU 90 2HB LEU 90 -2.861 8.915 13.760 631 HB3 LEU 90 3HB LEU 90 -2.481 7.201 13.920 632 HG LEU 90 HG LEU 90 -4.912 6.964 12.864 633 HD11 LEU 90 1HD1 LEU 90 -4.239 9.762 12.524 634 HD12 LEU 90 2HD1 LEU 90 -5.763 8.921 12.238 635 HD13 LEU 90 3HD1 LEU 90 -4.525 8.953 10.983 636 HD21 LEU 90 3HD2 LEU 90 -3.730 6.986 10.601 637 HD22 LEU 90 1HD2 LEU 90 -3.088 5.908 11.841 638 HD23 LEU 90 2HD2 LEU 90 -2.279 7.438 11.499 639 H ILE 91 H ILE 91 -6.521 7.390 15.391 640 HA ILE 91 HA ILE 91 -6.114 4.482 15.649 641 HB ILE 91 HB ILE 91 -8.336 6.154 16.828 642 HG12 ILE 91 2HG1 ILE 91 -7.122 4.887 18.910 643 HG13 ILE 91 3HG1 ILE 91 -5.747 5.169 17.848 644 HG21 ILE 91 1HG2 ILE 91 -8.835 3.942 18.009 645 HG22 ILE 91 2HG2 ILE 91 -9.306 4.088 16.317 646 HG23 ILE 91 3HG2 ILE 91 -7.849 3.195 16.753 647 HD11 ILE 91 3HD1 ILE 91 -7.588 7.192 19.076 648 HD12 ILE 91 1HD1 ILE 91 -5.849 7.011 19.301 649 HD13 ILE 91 2HD1 ILE 91 -6.484 7.581 17.757 650 H SER 92 H SER 92 -7.004 3.237 14.139 651 HA SER 92 HA SER 92 -8.859 4.475 12.234 652 HB2 SER 92 2HB SER 92 -7.955 1.814 11.509 653 HB3 SER 92 3HB SER 92 -7.775 3.334 10.632 654 HG SER 92 HG SER 92 -5.861 3.671 11.567 655 H TRP 93 H TRP 93 -10.875 3.693 11.860 656 HA TRP 93 HA TRP 93 -11.752 1.442 13.550 657 HB2 TRP 93 2HB TRP 93 -12.816 3.384 14.398 658 HB3 TRP 93 3HB TRP 93 -13.173 3.988 12.782 659 HD1 TRP 93 HD1 TRP 93 -15.222 2.801 11.462 660 HE1 TRP 93 HE1 TRP 93 -17.290 1.547 12.344 661 HE3 TRP 93 HE3 TRP 93 -13.634 1.868 16.231 662 HZ2 TRP 93 HZ2 TRP 93 -18.137 0.326 14.744 663 HZ3 TRP 93 HZ3 TRP 93 -15.133 0.652 17.757 664 HH2 TRP 93 HH2 TRP 93 -17.338 -0.101 17.027 665 H ASN 94 H ASN 94 -12.135 -0.307 12.372 666 HA ASN 94 HA ASN 94 -14.042 -0.486 10.369 667 HB2 ASN 94 2HB ASN 94 -12.366 -0.986 8.434 668 HB3 ASN 94 3HB ASN 94 -12.798 0.685 8.788 669 HD21 ASN 94 1HD2 ASN 94 -10.393 -1.789 9.568 670 HD22 ASN 94 2HD2 ASN 94 -9.060 -0.698 9.701 671 HA PRO 95 HA PRO 95 -13.386 -4.713 11.402 672 HB2 PRO 95 2HB PRO 95 -14.801 -5.876 9.398 673 HB3 PRO 95 3HB PRO 95 -15.567 -5.053 10.761 674 HG2 PRO 95 2HG PRO 95 -15.046 -4.046 7.990 675 HG3 PRO 95 3HG PRO 95 -16.497 -3.861 8.994 676 HD2 PRO 95 2HD PRO 95 -14.658 -1.893 8.714 677 HD3 PRO 95 3HD PRO 95 -15.588 -2.126 10.208 678 H ASP 96 H ASP 96 -11.747 -6.074 11.055 679 HA ASP 96 HA ASP 96 -9.917 -5.724 8.941 680 HB2 ASP 96 2HB ASP 96 -10.278 -7.946 10.952 681 HB3 ASP 96 3HB ASP 96 -8.961 -7.922 9.784 682 H SER 97 H SER 97 -12.817 -7.543 9.193 683 HA SER 97 HA SER 97 -12.146 -9.059 6.762 684 HB2 SER 97 2HB SER 97 -13.765 -9.660 9.150 685 HB3 SER 97 3HB SER 97 -14.504 -10.138 7.622 686 HG SER 97 HG SER 97 -13.052 -11.708 8.676 687 H GLY 98 H GLY 98 -13.250 -6.195 7.265 688 HA2 GLY 98 2HA GLY 98 -15.871 -6.062 6.266 689 HA3 GLY 98 3HA GLY 98 -14.689 -4.763 6.195 690 H ALA 99 H ALA 99 -13.787 -4.247 4.280 691 HA ALA 99 HA ALA 99 -14.396 -6.006 1.994 692 HB1 ALA 99 1HB ALA 99 -15.708 -4.219 1.471 693 HB2 ALA 99 2HB ALA 99 -14.679 -3.069 2.327 694 HB3 ALA 99 3HB ALA 99 -14.193 -3.681 0.746 695 HA PRO 100 HA PRO 100 -10.143 -6.097 0.919 696 HB2 PRO 100 2HB PRO 100 -10.223 -5.966 -1.791 697 HB3 PRO 100 3HB PRO 100 -10.724 -7.398 -0.883 698 HG2 PRO 100 2HG PRO 100 -12.405 -5.226 -2.075 699 HG3 PRO 100 3HG PRO 100 -12.670 -6.979 -2.087 700 HD2 PRO 100 2HD PRO 100 -13.955 -5.324 -0.373 701 HD3 PRO 100 3HD PRO 100 -13.523 -6.992 0.055 702 H ARG 101 H ARG 101 -11.987 -3.567 -0.760 703 HA ARG 101 HA ARG 101 -9.739 -1.986 -1.449 704 HB2 ARG 101 2HB ARG 101 -12.605 -1.097 -1.081 705 HB3 ARG 101 3HB ARG 101 -11.353 -0.244 -1.974 706 HG2 ARG 101 2HG ARG 101 -12.247 -3.010 -2.720 707 HG3 ARG 101 3HG ARG 101 -13.046 -1.557 -3.326 708 HD2 ARG 101 2HD ARG 101 -11.522 -1.484 -4.943 709 HD3 ARG 101 3HD ARG 101 -10.318 -1.111 -3.710 710 HE ARG 101 HE ARG 101 -10.447 -3.801 -3.619 711 HH11 ARG 101 1HH1 ARG 101 -10.041 -1.539 -6.233 712 HH12 ARG 101 2HH1 ARG 101 -9.093 -2.623 -7.197 713 HH21 ARG 101 1HH2 ARG 101 -9.200 -5.237 -4.878 714 HH22 ARG 101 2HH2 ARG 101 -8.616 -4.726 -6.425 715 H THR 102 H THR 102 -11.890 -2.059 1.334 716 HA THR 102 HA THR 102 -10.985 0.344 2.529 717 HB THR 102 HB THR 102 -12.264 -2.079 3.809 718 HG1 THR 102 HG1 THR 102 -13.556 -0.979 2.234 719 HG21 THR 102 3HG2 THR 102 -11.109 0.282 4.973 720 HG22 THR 102 1HG2 THR 102 -11.850 -1.105 5.770 721 HG23 THR 102 2HG2 THR 102 -12.849 0.254 5.257 722 H LYS 103 H LYS 103 -10.085 -3.058 3.005 723 HA LYS 103 HA LYS 103 -8.174 -2.547 5.039 724 HB2 LYS 103 2HB LYS 103 -9.011 -4.852 3.401 725 HB3 LYS 103 3HB LYS 103 -7.342 -4.900 3.953 726 HG2 LYS 103 2HG LYS 103 -9.734 -4.524 5.743 727 HG3 LYS 103 3HG LYS 103 -8.903 -6.057 5.468 728 HD2 LYS 103 2HD LYS 103 -6.940 -4.134 6.153 729 HD3 LYS 103 3HD LYS 103 -8.262 -3.978 7.312 730 HE2 LYS 103 2HE LYS 103 -7.156 -5.642 8.365 731 HE3 LYS 103 3HE LYS 103 -8.043 -6.654 7.226 732 HZ1 LYS 103 3HZ LYS 103 -5.673 -5.734 6.014 733 HZ2 LYS 103 1HZ LYS 103 -6.138 -7.325 6.355 734 HZ3 LYS 103 2HZ LYS 103 -5.289 -6.426 7.509 735 H MET 104 H MET 104 -7.952 -2.906 1.528 736 HA MET 104 HA MET 104 -5.118 -2.780 1.407 737 HB2 MET 104 2HB MET 104 -7.352 -2.600 -0.553 738 HB3 MET 104 3HB MET 104 -5.778 -1.991 -1.050 739 HG2 MET 104 2HG MET 104 -4.800 -4.065 -0.986 740 HG3 MET 104 3HG MET 104 -5.967 -4.698 0.173 741 HE1 MET 104 3HE MET 104 -5.782 -6.682 -0.978 742 HE2 MET 104 1HE MET 104 -7.461 -7.003 -1.410 743 HE3 MET 104 2HE MET 104 -6.209 -7.047 -2.651 744 H LEU 105 H LEU 105 -7.667 -0.357 0.893 745 HA LEU 105 HA LEU 105 -6.066 1.802 0.202 746 HB2 LEU 105 2HB LEU 105 -8.718 1.553 1.555 747 HB3 LEU 105 3HB LEU 105 -7.959 3.136 1.401 748 HG LEU 105 HG LEU 105 -8.404 1.400 -1.004 749 HD11 LEU 105 1HD1 LEU 105 -10.503 1.978 0.536 750 HD12 LEU 105 2HD1 LEU 105 -10.584 1.970 -1.225 751 HD13 LEU 105 3HD1 LEU 105 -10.392 3.494 -0.359 752 HD21 LEU 105 3HD2 LEU 105 -8.584 4.366 -0.961 753 HD22 LEU 105 1HD2 LEU 105 -7.982 3.285 -2.218 754 HD23 LEU 105 2HD2 LEU 105 -6.990 3.626 -0.799 755 H TYR 106 H TYR 106 -6.715 0.397 3.335 756 HA TYR 106 HA TYR 106 -5.858 2.485 4.982 757 HB2 TYR 106 2HB TYR 106 -6.990 0.608 5.952 758 HB3 TYR 106 3HB TYR 106 -5.762 -0.509 5.368 759 HD1 TYR 106 HD1 TYR 106 -5.429 2.749 7.158 760 HD2 TYR 106 HD2 TYR 106 -4.774 -1.454 7.242 761 HE1 TYR 106 HE1 TYR 106 -4.211 2.987 9.282 762 HE2 TYR 106 HE2 TYR 106 -3.556 -1.228 9.366 763 HH TYR 106 HH TYR 106 -2.188 1.104 10.462 764 H SER 107 H SER 107 -4.057 0.065 3.200 765 HA SER 107 HA SER 107 -1.539 0.912 4.397 766 HB2 SER 107 2HB SER 107 -1.912 -1.492 4.026 767 HB3 SER 107 3HB SER 107 -2.096 -1.197 2.297 768 HG SER 107 HG SER 107 0.055 -1.887 3.107 769 H SER 108 H SER 108 -3.210 0.971 1.289 770 HA SER 108 HA SER 108 -1.118 2.054 -0.244 771 HB2 SER 108 2HB SER 108 -2.731 1.378 -1.691 772 HB3 SER 108 3HB SER 108 -4.032 1.701 -0.546 773 HG SER 108 HG SER 108 -2.619 3.714 -1.961 774 H SER 109 H SER 109 -3.708 3.593 1.612 775 HA SER 109 HA SER 109 -2.874 6.250 0.878 776 HB2 SER 109 2HB SER 109 -5.247 5.698 1.368 777 HB3 SER 109 3HB SER 109 -4.802 5.379 3.044 778 HG SER 109 HG SER 109 -5.582 7.497 2.804 779 H ARG 110 H ARG 110 -2.188 3.990 3.406 780 HA ARG 110 HA ARG 110 -1.348 5.667 5.458 781 HB2 ARG 110 2HB ARG 110 -1.135 2.887 4.800 782 HB3 ARG 110 3HB ARG 110 0.423 3.456 5.385 783 HG2 ARG 110 2HG ARG 110 -0.772 4.403 7.373 784 HG3 ARG 110 3HG ARG 110 -2.222 3.570 6.808 785 HD2 ARG 110 2HD ARG 110 0.399 2.191 7.355 786 HD3 ARG 110 3HD ARG 110 -0.895 2.338 8.543 787 HE ARG 110 HE ARG 110 -2.109 1.228 6.375 788 HH11 ARG 110 1HH1 ARG 110 0.676 0.412 8.299 789 HH12 ARG 110 2HH1 ARG 110 0.514 -1.294 8.044 790 HH21 ARG 110 1HH2 ARG 110 -2.333 -1.016 6.033 791 HH22 ARG 110 2HH2 ARG 110 -1.197 -2.105 6.755 792 H ASP 111 H ASP 111 0.376 4.555 2.588 793 HA ASP 111 HA ASP 111 2.926 5.510 3.262 794 HB2 ASP 111 2HB ASP 111 1.824 4.159 1.121 795 HB3 ASP 111 3HB ASP 111 2.287 5.705 0.415 796 H ALA 112 H ALA 112 0.199 7.072 1.649 797 HA ALA 112 HA ALA 112 1.643 9.516 1.179 798 HB1 ALA 112 1HB ALA 112 -0.454 10.375 0.329 799 HB2 ALA 112 2HB ALA 112 -0.162 8.760 -0.317 800 HB3 ALA 112 3HB ALA 112 -1.321 8.990 0.992 801 H LEU 113 H LEU 113 -0.280 8.186 3.723 802 HA LEU 113 HA LEU 113 -0.831 10.738 4.967 803 HB2 LEU 113 2HB LEU 113 -1.553 7.925 5.419 804 HB3 LEU 113 3HB LEU 113 -1.372 8.891 6.882 805 HG LEU 113 HG LEU 113 -3.077 9.962 4.690 806 HD11 LEU 113 1HD1 LEU 113 -4.818 8.545 4.974 807 HD12 LEU 113 2HD1 LEU 113 -4.399 8.185 6.649 808 HD13 LEU 113 3HD1 LEU 113 -3.520 7.407 5.333 809 HD21 LEU 113 3HD2 LEU 113 -3.823 9.963 7.557 810 HD22 LEU 113 1HD2 LEU 113 -3.995 11.225 6.337 811 HD23 LEU 113 2HD2 LEU 113 -2.426 10.931 7.086 812 H VAL 114 H VAL 114 1.637 8.339 5.051 813 HA VAL 114 HA VAL 114 2.688 8.616 7.600 814 HB VAL 114 HB VAL 114 3.852 7.896 4.958 815 HG11 VAL 114 1HG1 VAL 114 5.457 8.684 7.372 816 HG12 VAL 114 2HG1 VAL 114 6.076 7.564 6.156 817 HG13 VAL 114 3HG1 VAL 114 5.649 9.215 5.701 818 HG21 VAL 114 3HG2 VAL 114 4.538 6.242 7.218 819 HG22 VAL 114 1HG2 VAL 114 2.800 6.539 7.157 820 HG23 VAL 114 2HG2 VAL 114 3.624 5.835 5.765 821 HA PRO 115 HA PRO 115 5.402 12.278 5.968 822 HB2 PRO 115 2HB PRO 115 4.675 13.384 3.598 823 HB3 PRO 115 3HB PRO 115 5.821 12.044 3.721 824 HG2 PRO 115 2HG PRO 115 2.905 11.986 3.049 825 HG3 PRO 115 3HG PRO 115 4.244 11.098 2.299 826 HD2 PRO 115 2HD PRO 115 2.576 9.965 4.106 827 HD3 PRO 115 3HD PRO 115 4.285 9.503 3.962 828 H LEU 116 H LEU 116 1.975 12.349 5.094 829 HA LEU 116 HA LEU 116 1.575 15.110 5.555 830 HB2 LEU 116 2HB LEU 116 0.093 13.292 4.376 831 HB3 LEU 116 3HB LEU 116 -0.607 13.124 5.985 832 HG LEU 116 HG LEU 116 -1.964 14.593 4.622 833 HD11 LEU 116 1HD1 LEU 116 -2.342 16.149 6.239 834 HD12 LEU 116 2HD1 LEU 116 -0.631 16.518 6.446 835 HD13 LEU 116 3HD1 LEU 116 -1.306 15.046 7.144 836 HD21 LEU 116 3HD2 LEU 116 0.243 15.345 3.350 837 HD22 LEU 116 1HD2 LEU 116 0.138 16.681 4.497 838 HD23 LEU 116 2HD2 LEU 116 -1.204 16.354 3.399 839 H THR 117 H THR 117 1.301 12.262 7.619 840 HA THR 117 HA THR 117 1.125 14.060 9.943 841 HB THR 117 HB THR 117 -0.372 12.530 11.081 842 HG1 THR 117 HG1 THR 117 -0.281 10.525 10.404 843 HG21 THR 117 3HG2 THR 117 -1.068 14.120 8.907 844 HG22 THR 117 1HG2 THR 117 -2.156 13.499 10.148 845 HG23 THR 117 2HG2 THR 117 -1.935 12.608 8.642 846 H GLN 118 H GLN 118 3.550 13.511 9.498 847 HA GLN 118 HA GLN 118 4.373 10.926 10.511 848 HB2 GLN 118 2HB GLN 118 6.678 11.833 10.162 849 HB3 GLN 118 3HB GLN 118 5.680 11.825 8.715 850 HG2 GLN 118 2HG GLN 118 5.744 14.047 8.509 851 HG3 GLN 118 3HG GLN 118 5.537 14.312 10.240 852 HE21 GLN 118 1HE2 GLN 118 7.711 14.247 7.636 853 HE22 GLN 118 2HE2 GLN 118 9.161 14.547 8.526 854 H GLY 119 H GLY 119 5.136 10.483 12.508 855 HA2 GLY 119 2HA GLY 119 6.329 11.255 14.504 856 HA3 GLY 119 3HA GLY 119 5.420 12.754 14.377 857 H PHE 120 H PHE 120 3.351 10.311 13.589 858 HA PHE 120 HA PHE 120 2.452 10.001 16.378 859 HB2 PHE 120 2HB PHE 120 0.544 10.048 14.055 860 HB3 PHE 120 3HB PHE 120 0.209 10.314 15.763 861 HD1 PHE 120 HD1 PHE 120 2.218 12.303 16.492 862 HD2 PHE 120 HD2 PHE 120 -0.153 11.967 12.973 863 HE1 PHE 120 HE1 PHE 120 2.390 14.734 16.148 864 HE2 PHE 120 HE2 PHE 120 0.016 14.397 12.623 865 HZ PHE 120 HZ PHE 120 1.289 15.783 14.211 866 H GLN 121 H GLN 121 1.192 8.066 16.812 867 HA GLN 121 HA GLN 121 2.136 5.815 15.190 868 HB2 GLN 121 2HB GLN 121 0.977 5.853 17.981 869 HB3 GLN 121 3HB GLN 121 1.580 4.427 17.148 870 HG2 GLN 121 2HG GLN 121 3.230 6.839 17.866 871 HG3 GLN 121 3HG GLN 121 3.177 5.332 18.778 872 HE21 GLN 121 1HE2 GLN 121 5.374 6.726 17.351 873 HE22 GLN 121 2HE2 GLN 121 6.029 5.547 16.272 874 H GLY 122 H GLY 122 0.784 4.839 13.841 875 HA2 GLY 122 2HA GLY 122 -2.106 5.263 14.213 876 HA3 GLY 122 3HA GLY 122 -1.325 4.871 12.689 877 H ILE 123 H ILE 123 -3.273 3.653 15.000 878 HA ILE 123 HA ILE 123 -2.487 0.895 14.348 879 HB ILE 123 HB ILE 123 -3.527 1.768 17.045 880 HG12 ILE 123 2HG1 ILE 123 -1.007 0.725 17.433 881 HG13 ILE 123 3HG1 ILE 123 -0.814 1.639 15.940 882 HG21 ILE 123 1HG2 ILE 123 -2.906 -0.850 15.791 883 HG22 ILE 123 2HG2 ILE 123 -2.524 -0.641 17.499 884 HG23 ILE 123 3HG2 ILE 123 -4.178 -0.413 16.932 885 HD11 ILE 123 3HD1 ILE 123 -0.847 3.577 17.018 886 HD12 ILE 123 1HD1 ILE 123 -2.270 3.124 17.957 887 HD13 ILE 123 2HD1 ILE 123 -0.664 2.635 18.498 888 H GLN 124 H GLN 124 -4.065 -0.117 13.316 889 HA GLN 124 HA GLN 124 -6.756 0.949 13.344 890 HB2 GLN 124 2HB GLN 124 -7.170 -0.370 11.471 891 HB3 GLN 124 3HB GLN 124 -5.464 0.022 11.303 892 HG2 GLN 124 2HG GLN 124 -6.605 -2.553 12.364 893 HG3 GLN 124 3HG GLN 124 -5.866 -2.305 10.783 894 HE21 GLN 124 1HE2 GLN 124 -3.669 -0.840 11.369 895 HE22 GLN 124 2HE2 GLN 124 -2.592 -1.746 12.372 896 H ALA 125 H ALA 125 -8.516 0.059 14.289 897 HA ALA 125 HA ALA 125 -8.362 -2.613 15.436 898 HB1 ALA 125 1HB ALA 125 -8.539 -0.105 17.046 899 HB2 ALA 125 2HB ALA 125 -9.346 -1.569 17.612 900 HB3 ALA 125 3HB ALA 125 -7.603 -1.570 17.345 901 H ASN 126 H ASN 126 -10.229 -3.653 15.167 902 HA ASN 126 HA ASN 126 -12.570 -2.108 14.331 903 HB2 ASN 126 2HB ASN 126 -13.378 -4.073 13.296 904 HB3 ASN 126 3HB ASN 126 -11.646 -4.072 12.975 905 HD21 ASN 126 1HD2 ASN 126 -14.247 -5.796 14.226 906 HD22 ASN 126 2HD2 ASN 126 -13.366 -7.103 14.934 907 H ASP 127 H ASP 127 -14.712 -2.823 15.099 908 HA ASP 127 HA ASP 127 -16.222 -3.218 16.754 909 HB2 ASP 127 2HB ASP 127 -14.635 -5.429 16.748 910 HB3 ASP 127 3HB ASP 127 -14.430 -4.878 18.409 911 H ALA 128 H ALA 128 -15.912 -3.601 19.501 912 HA ALA 128 HA ALA 128 -15.666 -1.021 20.461 913 HB1 ALA 128 1HB ALA 128 -16.207 -3.564 21.545 914 HB2 ALA 128 2HB ALA 128 -14.938 -2.845 22.537 915 HB3 ALA 128 3HB ALA 128 -16.460 -1.987 22.293 916 H SER 129 H SER 129 -13.194 -3.365 19.819 917 HA SER 129 HA SER 129 -11.141 -2.408 21.461 918 HB2 SER 129 2HB SER 129 -11.406 -4.280 19.308 919 HB3 SER 129 3HB SER 129 -9.979 -3.283 19.024 920 HG SER 129 HG SER 129 -10.060 -5.320 20.564 921 H GLY 130 H GLY 130 -12.585 -1.047 18.664 922 HA2 GLY 130 2HA GLY 130 -10.312 0.646 18.023 923 HA3 GLY 130 3HA GLY 130 -11.874 0.644 17.218 924 H LEU 131 H LEU 131 -12.251 0.742 20.552 925 HA LEU 131 HA LEU 131 -12.230 3.672 20.643 926 HB2 LEU 131 2HB LEU 131 -14.540 2.037 21.664 927 HB3 LEU 131 3HB LEU 131 -14.425 3.792 21.559 928 HG LEU 131 HG LEU 131 -14.594 1.906 19.209 929 HD11 LEU 131 1HD1 LEU 131 -16.673 3.808 20.274 930 HD12 LEU 131 2HD1 LEU 131 -16.664 2.071 20.578 931 HD13 LEU 131 3HD1 LEU 131 -16.842 2.676 18.931 932 HD21 LEU 131 3HD2 LEU 131 -15.259 4.562 18.535 933 HD22 LEU 131 1HD2 LEU 131 -13.880 3.611 17.984 934 HD23 LEU 131 2HD2 LEU 131 -13.735 4.622 19.423 935 H ASP 132 H ASP 132 -10.737 1.277 21.832 936 HA ASP 132 HA ASP 132 -11.286 1.435 24.652 937 HB2 ASP 132 2HB ASP 132 -10.157 -0.481 23.140 938 HB3 ASP 132 3HB ASP 132 -8.699 0.331 23.703 939 H PHE 133 H PHE 133 -10.978 3.497 25.383 940 HA PHE 133 HA PHE 133 -8.976 5.273 24.668 941 HB2 PHE 133 2HB PHE 133 -10.271 5.004 27.390 942 HB3 PHE 133 3HB PHE 133 -9.448 6.433 26.770 943 HD1 PHE 133 HD1 PHE 133 -10.402 7.340 24.487 944 HD2 PHE 133 HD2 PHE 133 -12.557 4.898 27.228 945 HE1 PHE 133 HE1 PHE 133 -12.522 8.150 23.536 946 HE2 PHE 133 HE2 PHE 133 -14.680 5.703 26.281 947 HZ PHE 133 HZ PHE 133 -14.665 7.330 24.432 948 H GLU 134 H GLU 134 -8.951 2.744 27.131 949 HA GLU 134 HA GLU 134 -6.544 3.373 28.386 950 HB2 GLU 134 2HB GLU 134 -8.416 1.282 28.488 951 HB3 GLU 134 3HB GLU 134 -6.871 0.515 28.148 952 HG2 GLU 134 2HG GLU 134 -5.896 1.388 30.116 953 HG3 GLU 134 3HG GLU 134 -7.254 2.479 30.386 954 H GLU 135 H GLU 135 -7.181 1.722 25.366 955 HA GLU 135 HA GLU 135 -4.574 0.668 24.989 956 HB2 GLU 135 2HB GLU 135 -6.713 -0.033 23.798 957 HB3 GLU 135 3HB GLU 135 -6.511 1.398 22.797 958 HG2 GLU 135 2HG GLU 135 -5.217 0.221 21.451 959 HG3 GLU 135 3HG GLU 135 -4.041 0.080 22.756 960 H ILE 136 H ILE 136 -6.146 3.677 24.015 961 HA ILE 136 HA ILE 136 -4.019 4.637 22.409 962 HB ILE 136 HB ILE 136 -6.172 6.193 23.847 963 HG12 ILE 136 2HG1 ILE 136 -6.079 5.424 20.932 964 HG13 ILE 136 3HG1 ILE 136 -6.859 4.414 22.144 965 HG21 ILE 136 1HG2 ILE 136 -4.563 7.784 23.321 966 HG22 ILE 136 2HG2 ILE 136 -4.111 6.975 21.821 967 HG23 ILE 136 3HG2 ILE 136 -5.646 7.836 21.930 968 HD11 ILE 136 3HD1 ILE 136 -8.492 5.782 21.025 969 HD12 ILE 136 1HD1 ILE 136 -8.346 6.285 22.709 970 HD13 ILE 136 2HD1 ILE 136 -7.593 7.243 21.433 971 H SER 137 H SER 137 -4.942 5.262 25.783 972 HA SER 137 HA SER 137 -2.866 7.082 26.343 973 HB2 SER 137 2HB SER 137 -5.064 6.215 27.701 974 HB3 SER 137 3HB SER 137 -3.778 5.396 28.587 975 HG SER 137 HG SER 137 -4.397 8.081 28.438 976 H ARG 138 H ARG 138 -3.073 3.573 26.567 977 HA ARG 138 HA ARG 138 -0.599 3.205 27.911 978 HB2 ARG 138 2HB ARG 138 -2.390 1.505 27.878 979 HB3 ARG 138 3HB ARG 138 -2.122 1.272 26.156 980 HG2 ARG 138 2HG ARG 138 0.339 0.982 27.624 981 HG3 ARG 138 3HG ARG 138 -0.910 -0.094 28.254 982 HD2 ARG 138 2HD ARG 138 -0.455 0.118 25.306 983 HD3 ARG 138 3HD ARG 138 0.613 -0.878 26.293 984 HE ARG 138 HE ARG 138 -2.009 -1.573 26.923 985 HH11 ARG 138 1HH1 ARG 138 0.152 -1.705 24.196 986 HH12 ARG 138 2HH1 ARG 138 -0.588 -3.114 23.512 987 HH21 ARG 138 1HH2 ARG 138 -2.991 -3.429 26.032 988 HH22 ARG 138 2HH2 ARG 138 -2.376 -4.094 24.556 989 H LYS 139 H LYS 139 -1.548 3.311 24.520 990 HA LYS 139 HA LYS 139 0.921 2.449 23.444 991 HB2 LYS 139 2HB LYS 139 -1.606 3.339 22.455 992 HB3 LYS 139 3HB LYS 139 -0.342 4.246 21.635 993 HG2 LYS 139 2HG LYS 139 0.173 2.508 20.363 994 HG3 LYS 139 3HG LYS 139 0.344 1.456 21.770 995 HD2 LYS 139 2HD LYS 139 -2.139 1.208 21.795 996 HD3 LYS 139 3HD LYS 139 -2.196 2.113 20.281 997 HE2 LYS 139 2HE LYS 139 -2.090 0.059 19.359 998 HE3 LYS 139 3HE LYS 139 -0.361 0.244 19.650 999 HZ1 LYS 139 3HZ LYS 139 -1.056 -1.870 20.472 1000 HZ2 LYS 139 1HZ LYS 139 -2.314 -1.183 21.371 1001 HZ3 LYS 139 2HZ LYS 139 -0.706 -0.890 21.806 1002 H VAL 140 H VAL 140 -0.432 5.696 23.969 1003 HA VAL 140 HA VAL 140 1.843 7.087 23.009 1004 HB VAL 140 HB VAL 140 -0.340 8.169 23.137 1005 HG11 VAL 140 1HG1 VAL 140 -1.000 7.015 25.278 1006 HG12 VAL 140 2HG1 VAL 140 -0.027 8.216 26.130 1007 HG13 VAL 140 3HG1 VAL 140 -1.419 8.725 25.173 1008 HG21 VAL 140 3HG2 VAL 140 1.796 9.432 24.848 1009 HG22 VAL 140 1HG2 VAL 140 1.557 9.629 23.112 1010 HG23 VAL 140 2HG2 VAL 140 0.377 10.288 24.245 1011 H LYS 141 H LYS 141 0.846 5.978 26.201 1012 HA LYS 141 HA LYS 141 2.834 7.329 27.684 1013 HB2 LYS 141 2HB LYS 141 0.808 6.347 28.694 1014 HB3 LYS 141 3HB LYS 141 1.415 4.737 28.332 1015 HG2 LYS 141 2HG LYS 141 2.548 4.701 30.230 1016 HG3 LYS 141 3HG LYS 141 3.406 6.178 29.784 1017 HD2 LYS 141 2HD LYS 141 0.610 6.362 30.816 1018 HD3 LYS 141 3HD LYS 141 1.935 6.095 31.951 1019 HE2 LYS 141 2HE LYS 141 2.936 8.111 30.433 1020 HE3 LYS 141 3HE LYS 141 1.214 8.489 30.404 1021 HZ1 LYS 141 3HZ LYS 141 1.221 9.053 32.557 1022 HZ2 LYS 141 1HZ LYS 141 2.892 9.226 32.357 1023 HZ3 LYS 141 2HZ LYS 141 2.262 7.798 33.008 1024 H SER 142 H SER 142 2.783 4.246 26.004 1025 HA SER 142 HA SER 142 5.330 3.403 27.054 1026 HB2 SER 142 2HB SER 142 3.669 2.296 24.776 1027 HB3 SER 142 3HB SER 142 5.101 1.524 25.459 1028 HG SER 142 HG SER 142 3.592 0.608 26.649 1029 H ASN 143 H ASN 143 4.137 4.998 24.174 1030 HA ASN 143 HA ASN 143 5.177 5.912 22.365 1031 HB2 ASN 143 2HB ASN 143 6.300 6.988 24.561 1032 HB3 ASN 143 3HB ASN 143 7.731 6.258 23.839 1033 HD21 ASN 143 1HD2 ASN 143 6.125 9.036 24.063 1034 HD22 ASN 143 2HD2 ASN 143 6.521 9.760 22.545 1035 H ARG 144 H ARG 144 5.436 3.029 22.745 1036 HA ARG 144 HA ARG 144 8.087 2.277 21.945 1037 HB2 ARG 144 2HB ARG 144 6.078 0.926 23.132 1038 HB3 ARG 144 3HB ARG 144 5.832 0.416 21.467 1039 HG2 ARG 144 2HG ARG 144 8.411 -0.053 21.564 1040 HG3 ARG 144 3HG ARG 144 8.108 -0.124 23.301 1041 HD2 ARG 144 2HD ARG 144 6.060 -1.605 22.059 1042 HD3 ARG 144 3HD ARG 144 7.569 -2.086 21.284 1043 HE ARG 144 HE ARG 144 6.729 -2.724 23.928 1044 HH11 ARG 144 1HH1 ARG 144 9.532 -2.039 21.980 1045 HH12 ARG 144 2HH1 ARG 144 10.614 -2.941 22.989 1046 HH21 ARG 144 1HH2 ARG 144 8.144 -3.914 25.264 1047 HH22 ARG 144 2HH2 ARG 144 9.823 -4.008 24.856 Start of MODEL 20 1 H MET 9 H MET 9 0.917 -2.251 -7.290 2 HA MET 9 HA MET 9 2.305 -3.693 -5.338 3 HB2 MET 9 2HB MET 9 4.444 -2.352 -5.347 4 HB3 MET 9 3HB MET 9 4.285 -3.530 -6.643 5 HG2 MET 9 2HG MET 9 3.295 -0.861 -7.314 6 HG3 MET 9 3HG MET 9 5.019 -0.934 -6.960 7 HE1 MET 9 3HE MET 9 3.865 -1.080 -10.956 8 HE2 MET 9 1HE MET 9 3.098 -0.322 -9.560 9 HE3 MET 9 2HE MET 9 4.801 -0.018 -9.904 10 H ALA 10 H ALA 10 0.462 -2.723 -4.301 11 HA ALA 10 HA ALA 10 -0.503 -1.232 -2.877 12 HB1 ALA 10 1HB ALA 10 1.874 -1.186 -2.008 13 HB2 ALA 10 2HB ALA 10 2.078 0.310 -2.921 14 HB3 ALA 10 3HB ALA 10 0.878 0.220 -1.632 15 H MET 11 H MET 11 -0.621 1.394 -2.581 16 HA MET 11 HA MET 11 -1.435 3.323 -3.466 17 HB2 MET 11 2HB MET 11 0.700 2.503 -5.274 18 HB3 MET 11 3HB MET 11 -0.529 3.468 -6.081 19 HG2 MET 11 2HG MET 11 -0.217 5.010 -3.970 20 HG3 MET 11 3HG MET 11 1.354 4.215 -3.912 21 HE1 MET 11 3HE MET 11 3.013 5.109 -7.213 22 HE2 MET 11 1HE MET 11 3.471 5.241 -5.514 23 HE3 MET 11 2HE MET 11 2.654 3.791 -6.097 24 H SER 12 H SER 12 -2.856 4.211 -5.217 25 HA SER 12 HA SER 12 -4.080 2.540 -7.127 26 HB2 SER 12 2HB SER 12 -4.906 1.551 -4.895 27 HB3 SER 12 3HB SER 12 -5.878 3.016 -4.756 28 HG SER 12 HG SER 12 -7.019 2.441 -6.531 29 H GLY 13 H GLY 13 -5.062 5.061 -4.793 30 HA2 GLY 13 2HA GLY 13 -5.095 7.132 -6.714 31 HA3 GLY 13 3HA GLY 13 -6.720 6.491 -6.525 32 H VAL 14 H VAL 14 -6.386 5.862 -3.706 33 HA VAL 14 HA VAL 14 -7.403 8.138 -2.532 34 HB VAL 14 HB VAL 14 -7.601 6.004 -1.431 35 HG11 VAL 14 1HG1 VAL 14 -5.904 4.582 -1.280 36 HG12 VAL 14 2HG1 VAL 14 -4.834 5.801 -1.976 37 HG13 VAL 14 3HG1 VAL 14 -5.037 5.699 -0.226 38 HG21 VAL 14 3HG2 VAL 14 -7.049 6.633 0.852 39 HG22 VAL 14 1HG2 VAL 14 -5.944 7.874 0.260 40 HG23 VAL 14 2HG2 VAL 14 -7.676 8.024 -0.033 41 H SER 15 H SER 15 -6.558 10.058 -2.104 42 HA SER 15 HA SER 15 -3.741 10.238 -1.305 43 HB2 SER 15 2HB SER 15 -4.508 10.929 -3.832 44 HB3 SER 15 3HB SER 15 -4.682 12.468 -2.989 45 HG SER 15 HG SER 15 -2.352 10.887 -2.747 46 H VAL 16 H VAL 16 -3.305 11.738 0.245 47 HA VAL 16 HA VAL 16 -5.508 12.770 1.742 48 HB VAL 16 HB VAL 16 -3.489 12.035 2.884 49 HG11 VAL 16 1HG1 VAL 16 -1.861 14.365 2.201 50 HG12 VAL 16 2HG1 VAL 16 -1.406 12.667 2.355 51 HG13 VAL 16 3HG1 VAL 16 -2.125 13.256 0.855 52 HG21 VAL 16 3HG2 VAL 16 -4.093 13.453 4.483 53 HG22 VAL 16 1HG2 VAL 16 -3.098 14.703 3.736 54 HG23 VAL 16 2HG2 VAL 16 -4.795 14.537 3.282 55 H ALA 17 H ALA 17 -6.492 14.670 1.554 56 HA ALA 17 HA ALA 17 -5.532 16.597 -0.381 57 HB1 ALA 17 1HB ALA 17 -7.681 17.809 0.355 58 HB2 ALA 17 2HB ALA 17 -7.834 16.288 -0.526 59 HB3 ALA 17 3HB ALA 17 -8.046 16.318 1.224 60 H ASP 18 H ASP 18 -5.432 18.911 0.134 61 HA ASP 18 HA ASP 18 -3.650 19.470 2.201 62 HB2 ASP 18 2HB ASP 18 -5.010 20.943 0.133 63 HB3 ASP 18 3HB ASP 18 -5.011 21.873 1.629 64 H GLU 19 H GLU 19 -7.126 19.396 2.170 65 HA GLU 19 HA GLU 19 -7.706 20.961 4.401 66 HB2 GLU 19 2HB GLU 19 -9.764 19.568 4.597 67 HB3 GLU 19 3HB GLU 19 -9.478 20.183 2.976 68 HG2 GLU 19 2HG GLU 19 -8.340 17.902 2.564 69 HG3 GLU 19 3HG GLU 19 -9.216 17.392 4.007 70 H CYS 20 H CYS 20 -6.889 17.517 4.195 71 HA CYS 20 HA CYS 20 -7.194 16.948 6.938 72 HB2 CYS 20 2HB CYS 20 -7.134 15.147 5.337 73 HB3 CYS 20 3HB CYS 20 -5.523 15.611 4.805 74 HG CYS 20 HG CYS 20 -5.175 13.297 6.233 75 H VAL 21 H VAL 21 -4.390 17.947 5.023 76 HA VAL 21 HA VAL 21 -2.433 17.715 7.001 77 HB VAL 21 HB VAL 21 -2.494 19.832 4.850 78 HG11 VAL 21 1HG1 VAL 21 -0.216 18.477 6.290 79 HG12 VAL 21 2HG1 VAL 21 -0.048 19.637 4.970 80 HG13 VAL 21 3HG1 VAL 21 -0.746 20.144 6.509 81 HG21 VAL 21 3HG2 VAL 21 -2.451 18.205 3.336 82 HG22 VAL 21 1HG2 VAL 21 -0.927 17.651 4.031 83 HG23 VAL 21 2HG2 VAL 21 -2.453 16.974 4.600 84 H THR 22 H THR 22 -4.441 20.514 6.116 85 HA THR 22 HA THR 22 -3.374 22.279 8.036 86 HB THR 22 HB THR 22 -6.147 22.328 6.831 87 HG1 THR 22 HG1 THR 22 -5.227 23.095 5.079 88 HG21 THR 22 3HG2 THR 22 -6.224 23.882 8.551 89 HG22 THR 22 1HG2 THR 22 -5.690 24.867 7.190 90 HG23 THR 22 2HG2 THR 22 -4.520 24.304 8.384 91 H ALA 23 H ALA 23 -6.154 20.089 8.120 92 HA ALA 23 HA ALA 23 -7.229 20.862 10.575 93 HB1 ALA 23 1HB ALA 23 -8.002 18.386 10.626 94 HB2 ALA 23 2HB ALA 23 -8.591 19.451 9.349 95 HB3 ALA 23 3HB ALA 23 -7.287 18.312 9.015 96 H LEU 24 H LEU 24 -4.766 18.406 9.850 97 HA LEU 24 HA LEU 24 -4.408 17.578 12.535 98 HB2 LEU 24 2HB LEU 24 -2.570 17.381 10.155 99 HB3 LEU 24 3HB LEU 24 -2.303 16.571 11.697 100 HG LEU 24 HG LEU 24 -4.610 16.067 9.817 101 HD11 LEU 24 1HD1 LEU 24 -2.969 14.965 8.721 102 HD12 LEU 24 2HD1 LEU 24 -3.295 13.742 9.949 103 HD13 LEU 24 3HD1 LEU 24 -1.938 14.850 10.147 104 HD21 LEU 24 3HD2 LEU 24 -5.224 15.736 12.155 105 HD22 LEU 24 1HD2 LEU 24 -3.821 14.693 12.384 106 HD23 LEU 24 2HD2 LEU 24 -5.122 14.195 11.302 107 H ASN 25 H ASN 25 -2.799 19.979 10.506 108 HA ASN 25 HA ASN 25 -0.670 20.615 12.191 109 HB2 ASN 25 2HB ASN 25 -1.906 21.729 9.837 110 HB3 ASN 25 3HB ASN 25 -1.474 23.017 10.957 111 HD21 ASN 25 1HD2 ASN 25 -0.322 20.557 8.840 112 HD22 ASN 25 2HD2 ASN 25 1.353 20.971 8.920 113 H ASP 26 H ASP 26 -3.943 21.978 12.047 114 HA ASP 26 HA ASP 26 -3.513 23.837 14.164 115 HB2 ASP 26 2HB ASP 26 -6.179 22.763 13.240 116 HB3 ASP 26 3HB ASP 26 -5.850 24.311 14.014 117 H LEU 27 H LEU 27 -4.820 20.571 13.968 118 HA LEU 27 HA LEU 27 -5.901 20.357 16.526 119 HB2 LEU 27 2HB LEU 27 -5.928 18.724 14.506 120 HB3 LEU 27 3HB LEU 27 -4.465 18.070 15.239 121 HG LEU 27 HG LEU 27 -5.726 17.541 17.273 122 HD11 LEU 27 1HD1 LEU 27 -7.520 18.845 17.617 123 HD12 LEU 27 2HD1 LEU 27 -8.361 17.629 16.656 124 HD13 LEU 27 3HD1 LEU 27 -7.788 19.113 15.894 125 HD21 LEU 27 3HD2 LEU 27 -5.969 16.308 14.736 126 HD22 LEU 27 1HD2 LEU 27 -7.532 16.183 15.545 127 HD23 LEU 27 2HD2 LEU 27 -6.079 15.565 16.333 128 H ARG 28 H ARG 28 -2.597 19.740 15.398 129 HA ARG 28 HA ARG 28 -1.572 18.823 17.855 130 HB2 ARG 28 2HB ARG 28 0.477 18.803 16.824 131 HB3 ARG 28 3HB ARG 28 -0.568 18.837 15.411 132 HG2 ARG 28 2HG ARG 28 -0.283 21.456 15.741 133 HG3 ARG 28 3HG ARG 28 1.218 20.928 16.505 134 HD2 ARG 28 2HD ARG 28 0.563 19.665 13.921 135 HD3 ARG 28 3HD ARG 28 0.959 21.382 13.863 136 HE ARG 28 HE ARG 28 2.849 19.892 15.396 137 HH11 ARG 28 1HH1 ARG 28 1.911 20.747 12.154 138 HH12 ARG 28 2HH1 ARG 28 3.500 20.536 11.498 139 HH21 ARG 28 1HH2 ARG 28 4.947 19.611 14.544 140 HH22 ARG 28 2HH2 ARG 28 5.226 19.889 12.859 141 H HIS 29 H HIS 29 -2.316 21.986 16.690 142 HA HIS 29 HA HIS 29 -0.741 23.288 18.773 143 HB2 HIS 29 2HB HIS 29 -1.288 24.049 16.225 144 HB3 HIS 29 3HB HIS 29 -2.548 24.917 17.097 145 HD1 HIS 29 HD1 HIS 29 0.794 25.340 15.972 146 HD2 HIS 29 HD2 HIS 29 -1.285 26.436 19.398 147 HE1 HIS 29 HE1 HIS 29 2.132 27.203 17.003 148 H LYS 30 H LYS 30 -3.255 21.596 19.156 149 HA LYS 30 HA LYS 30 -5.036 21.561 20.570 150 HB2 LYS 30 2HB LYS 30 -3.274 22.693 22.044 151 HB3 LYS 30 3HB LYS 30 -4.087 24.205 21.659 152 HG2 LYS 30 2HG LYS 30 -5.493 23.835 23.323 153 HG3 LYS 30 3HG LYS 30 -6.089 22.405 22.476 154 HD2 LYS 30 2HD LYS 30 -3.778 21.464 23.562 155 HD3 LYS 30 3HD LYS 30 -4.292 22.624 24.790 156 HE2 LYS 30 2HE LYS 30 -6.626 21.320 24.187 157 HE3 LYS 30 3HE LYS 30 -5.429 20.033 24.052 158 HZ1 LYS 30 3HZ LYS 30 -4.723 21.305 26.339 159 HZ2 LYS 30 1HZ LYS 30 -5.633 19.881 26.251 160 HZ3 LYS 30 2HZ LYS 30 -6.413 21.375 26.391 161 H LYS 31 H LYS 31 -5.598 22.468 18.068 162 HA LYS 31 HA LYS 31 -6.967 24.972 18.068 163 HB2 LYS 31 2HB LYS 31 -6.087 24.087 15.997 164 HB3 LYS 31 3HB LYS 31 -7.062 22.633 16.158 165 HG2 LYS 31 2HG LYS 31 -8.838 24.816 16.258 166 HG3 LYS 31 3HG LYS 31 -7.723 25.115 14.922 167 HD2 LYS 31 2HD LYS 31 -8.297 22.464 14.599 168 HD3 LYS 31 3HD LYS 31 -9.829 23.097 15.207 169 HE2 LYS 31 2HE LYS 31 -10.020 24.624 13.424 170 HE3 LYS 31 3HE LYS 31 -8.334 24.411 12.955 171 HZ1 LYS 31 3HZ LYS 31 -9.052 22.914 11.506 172 HZ2 LYS 31 1HZ LYS 31 -10.622 22.939 12.137 173 HZ3 LYS 31 2HZ LYS 31 -9.460 21.907 12.803 174 H SER 32 H SER 32 -7.990 21.590 18.321 175 HA SER 32 HA SER 32 -10.492 22.497 19.535 176 HB2 SER 32 2HB SER 32 -11.233 20.278 17.982 177 HB3 SER 32 3HB SER 32 -11.698 21.959 17.722 178 HG SER 32 HG SER 32 -10.725 21.205 15.862 179 H ARG 33 H ARG 33 -9.379 19.322 18.398 180 HA ARG 33 HA ARG 33 -8.417 18.349 20.829 181 HB2 ARG 33 2HB ARG 33 -11.125 18.706 21.026 182 HB3 ARG 33 3HB ARG 33 -11.021 17.026 20.520 183 HG2 ARG 33 2HG ARG 33 -10.249 16.350 22.505 184 HG3 ARG 33 3HG ARG 33 -9.168 17.736 22.665 185 HD2 ARG 33 2HD ARG 33 -11.522 18.974 22.982 186 HD3 ARG 33 3HD ARG 33 -11.956 17.376 23.586 187 HE ARG 33 HE ARG 33 -10.765 17.843 25.468 188 HH11 ARG 33 1HH1 ARG 33 -9.596 19.875 22.895 189 HH12 ARG 33 2HH1 ARG 33 -8.497 20.750 23.909 190 HH21 ARG 33 1HH2 ARG 33 -9.322 18.987 26.814 191 HH22 ARG 33 2HH2 ARG 33 -8.341 20.243 26.138 192 H TYR 34 H TYR 34 -10.682 17.092 18.372 193 HA TYR 34 HA TYR 34 -8.562 15.387 17.319 194 HB2 TYR 34 2HB TYR 34 -9.774 13.353 17.542 195 HB3 TYR 34 3HB TYR 34 -9.816 14.123 19.124 196 HD1 TYR 34 HD1 TYR 34 -11.793 13.257 16.148 197 HD2 TYR 34 HD2 TYR 34 -11.884 14.920 20.063 198 HE1 TYR 34 HE1 TYR 34 -14.248 13.102 16.150 199 HE2 TYR 34 HE2 TYR 34 -14.339 14.768 20.077 200 HH TYR 34 HH TYR 34 -16.116 13.573 18.990 201 H VAL 35 H VAL 35 -9.039 14.504 15.226 202 HA VAL 35 HA VAL 35 -11.357 15.681 13.862 203 HB VAL 35 HB VAL 35 -8.581 15.719 12.678 204 HG11 VAL 35 1HG1 VAL 35 -10.046 17.543 11.316 205 HG12 VAL 35 2HG1 VAL 35 -9.832 15.865 10.813 206 HG13 VAL 35 3HG1 VAL 35 -11.281 16.344 11.698 207 HG21 VAL 35 3HG2 VAL 35 -9.240 18.327 12.984 208 HG22 VAL 35 1HG2 VAL 35 -9.962 17.631 14.434 209 HG23 VAL 35 2HG2 VAL 35 -8.240 17.419 14.118 210 H ILE 36 H ILE 36 -12.410 14.247 12.653 211 HA ILE 36 HA ILE 36 -11.077 11.698 12.045 212 HB ILE 36 HB ILE 36 -14.038 12.289 12.067 213 HG12 ILE 36 2HG1 ILE 36 -12.311 10.913 14.137 214 HG13 ILE 36 3HG1 ILE 36 -13.080 12.486 14.315 215 HG21 ILE 36 1HG2 ILE 36 -14.307 9.877 11.971 216 HG22 ILE 36 2HG2 ILE 36 -13.367 10.447 10.592 217 HG23 ILE 36 3HG2 ILE 36 -12.557 9.665 11.950 218 HD11 ILE 36 3HD1 ILE 36 -14.185 9.800 14.624 219 HD12 ILE 36 1HD1 ILE 36 -14.687 11.330 15.344 220 HD13 ILE 36 2HD1 ILE 36 -15.206 10.911 13.711 221 H MET 37 H MET 37 -10.519 11.291 10.016 222 HA MET 37 HA MET 37 -11.817 12.829 7.868 223 HB2 MET 37 2HB MET 37 -9.070 11.575 7.990 224 HB3 MET 37 3HB MET 37 -9.752 12.320 6.550 225 HG2 MET 37 2HG MET 37 -8.539 14.063 7.347 226 HG3 MET 37 3HG MET 37 -10.068 14.369 8.168 227 HE1 MET 37 3HE MET 37 -7.039 12.292 8.231 228 HE2 MET 37 1HE MET 37 -6.091 13.017 9.530 229 HE3 MET 37 2HE MET 37 -7.110 11.615 9.859 230 H HIS 38 H HIS 38 -12.475 11.786 5.981 231 HA HIS 38 HA HIS 38 -12.487 8.843 6.075 232 HB2 HIS 38 2HB HIS 38 -14.693 9.390 6.697 233 HB3 HIS 38 3HB HIS 38 -14.780 10.722 5.548 234 HD1 HIS 38 HD1 HIS 38 -14.175 6.969 5.213 235 HD2 HIS 38 HD2 HIS 38 -16.396 10.038 3.509 236 HE1 HIS 38 HE1 HIS 38 -15.512 5.891 3.377 237 H ILE 39 H ILE 39 -12.436 7.773 4.082 238 HA ILE 39 HA ILE 39 -11.203 9.307 1.956 239 HB ILE 39 HB ILE 39 -11.828 6.357 1.945 240 HG12 ILE 39 2HG1 ILE 39 -9.347 7.767 2.952 241 HG13 ILE 39 3HG1 ILE 39 -10.515 6.900 3.943 242 HG21 ILE 39 1HG2 ILE 39 -11.263 7.374 -0.219 243 HG22 ILE 39 2HG2 ILE 39 -9.749 7.963 0.466 244 HG23 ILE 39 3HG2 ILE 39 -10.033 6.229 0.317 245 HD11 ILE 39 3HD1 ILE 39 -8.328 5.888 2.273 246 HD12 ILE 39 1HD1 ILE 39 -9.044 5.225 3.742 247 HD13 ILE 39 2HD1 ILE 39 -9.833 4.974 2.185 248 H VAL 40 H VAL 40 -12.312 10.192 0.355 249 HA VAL 40 HA VAL 40 -15.013 9.208 -0.229 250 HB VAL 40 HB VAL 40 -13.696 11.787 -1.093 251 HG11 VAL 40 1HG1 VAL 40 -15.997 12.454 -1.707 252 HG12 VAL 40 2HG1 VAL 40 -15.394 11.100 -2.666 253 HG13 VAL 40 3HG1 VAL 40 -16.539 10.813 -1.355 254 HG21 VAL 40 3HG2 VAL 40 -15.804 11.348 1.019 255 HG22 VAL 40 1HG2 VAL 40 -14.092 11.609 1.350 256 HG23 VAL 40 2HG2 VAL 40 -15.045 12.878 0.579 257 H ASP 41 H ASP 41 -15.527 8.276 -2.117 258 HA ASP 41 HA ASP 41 -15.265 7.241 -4.127 259 HB2 ASP 41 2HB ASP 41 -14.688 9.943 -4.491 260 HB3 ASP 41 3HB ASP 41 -13.372 9.104 -5.307 261 H GLN 42 H GLN 42 -13.269 6.786 -1.947 262 HA GLN 42 HA GLN 42 -11.185 5.872 -1.609 263 HB2 GLN 42 2HB GLN 42 -10.885 3.792 -2.829 264 HB3 GLN 42 3HB GLN 42 -12.575 3.989 -2.383 265 HG2 GLN 42 2HG GLN 42 -13.230 4.436 -4.568 266 HG3 GLN 42 3HG GLN 42 -11.589 4.829 -5.079 267 HE21 GLN 42 1HE2 GLN 42 -13.931 2.376 -4.681 268 HE22 GLN 42 2HE2 GLN 42 -12.983 1.057 -5.269 269 H LYS 43 H LYS 43 -10.951 8.262 -3.042 270 HA LYS 43 HA LYS 43 -8.454 7.752 -4.442 271 HB2 LYS 43 2HB LYS 43 -10.211 7.705 -6.200 272 HB3 LYS 43 3HB LYS 43 -10.679 9.336 -5.740 273 HG2 LYS 43 2HG LYS 43 -8.319 10.039 -6.274 274 HG3 LYS 43 3HG LYS 43 -8.095 8.437 -6.982 275 HD2 LYS 43 2HD LYS 43 -9.509 8.866 -8.737 276 HD3 LYS 43 3HD LYS 43 -10.449 10.053 -7.830 277 HE2 LYS 43 2HE LYS 43 -8.315 11.485 -7.899 278 HE3 LYS 43 3HE LYS 43 -7.784 10.384 -9.169 279 HZ1 LYS 43 3HZ LYS 43 -9.116 12.564 -9.713 280 HZ2 LYS 43 1HZ LYS 43 -10.449 11.566 -9.410 281 HZ3 LYS 43 2HZ LYS 43 -9.339 11.151 -10.617 282 H SER 44 H SER 44 -10.801 10.115 -3.260 283 HA SER 44 HA SER 44 -8.549 11.904 -2.610 284 HB2 SER 44 2HB SER 44 -10.814 12.446 -4.216 285 HB3 SER 44 3HB SER 44 -11.040 13.334 -2.709 286 HG SER 44 HG SER 44 -8.888 14.164 -3.035 287 H ILE 45 H ILE 45 -8.276 12.337 -0.524 288 HA ILE 45 HA ILE 45 -10.179 11.320 1.404 289 HB ILE 45 HB ILE 45 -7.551 12.743 1.846 290 HG12 ILE 45 2HG1 ILE 45 -8.233 9.796 1.936 291 HG13 ILE 45 3HG1 ILE 45 -7.316 10.593 0.663 292 HG21 ILE 45 1HG2 ILE 45 -7.693 11.880 4.126 293 HG22 ILE 45 2HG2 ILE 45 -9.054 12.938 3.758 294 HG23 ILE 45 3HG2 ILE 45 -9.276 11.189 3.770 295 HD11 ILE 45 3HD1 ILE 45 -6.407 9.513 3.141 296 HD12 ILE 45 1HD1 ILE 45 -5.471 10.166 1.797 297 HD13 ILE 45 2HD1 ILE 45 -6.042 11.237 3.078 298 H ALA 46 H ALA 46 -11.609 12.473 2.543 299 HA ALA 46 HA ALA 46 -11.322 15.386 2.684 300 HB1 ALA 46 1HB ALA 46 -13.452 15.861 1.868 301 HB2 ALA 46 2HB ALA 46 -12.852 14.622 0.765 302 HB3 ALA 46 3HB ALA 46 -13.994 14.192 2.038 303 H VAL 47 H VAL 47 -12.511 16.373 4.403 304 HA VAL 47 HA VAL 47 -12.568 14.811 6.775 305 HB VAL 47 HB VAL 47 -13.316 16.804 7.907 306 HG11 VAL 47 1HG1 VAL 47 -10.949 16.567 6.727 307 HG12 VAL 47 2HG1 VAL 47 -11.520 18.002 5.872 308 HG13 VAL 47 3HG1 VAL 47 -11.405 18.010 7.632 309 HG21 VAL 47 3HG2 VAL 47 -13.537 18.818 6.059 310 HG22 VAL 47 1HG2 VAL 47 -14.355 17.474 5.263 311 HG23 VAL 47 2HG2 VAL 47 -14.885 18.009 6.858 312 H LYS 48 H LYS 48 -14.222 13.884 7.857 313 HA LYS 48 HA LYS 48 -16.854 13.926 6.545 314 HB2 LYS 48 2HB LYS 48 -15.304 11.778 7.222 315 HB3 LYS 48 3HB LYS 48 -16.366 11.896 8.619 316 HG2 LYS 48 2HG LYS 48 -18.152 12.142 6.598 317 HG3 LYS 48 3HG LYS 48 -16.950 11.079 5.863 318 HD2 LYS 48 2HD LYS 48 -17.179 9.918 8.279 319 HD3 LYS 48 3HD LYS 48 -18.803 10.589 8.112 320 HE2 LYS 48 2HE LYS 48 -17.753 9.218 5.730 321 HE3 LYS 48 3HE LYS 48 -18.028 8.185 7.131 322 HZ1 LYS 48 3HZ LYS 48 -19.928 8.673 5.423 323 HZ2 LYS 48 1HZ LYS 48 -20.133 10.069 6.357 324 HZ3 LYS 48 2HZ LYS 48 -20.264 8.544 7.076 325 H THR 49 H THR 49 -15.319 13.951 9.750 326 HA THR 49 HA THR 49 -17.269 15.810 10.744 327 HB THR 49 HB THR 49 -17.235 13.006 11.875 328 HG1 THR 49 HG1 THR 49 -19.296 14.541 10.635 329 HG21 THR 49 3HG2 THR 49 -19.261 14.308 13.138 330 HG22 THR 49 1HG2 THR 49 -18.056 15.589 13.013 331 HG23 THR 49 2HG2 THR 49 -17.651 14.072 13.817 332 H ILE 50 H ILE 50 -15.913 17.188 11.691 333 HA ILE 50 HA ILE 50 -13.607 16.165 13.173 334 HB ILE 50 HB ILE 50 -13.214 17.959 11.530 335 HG12 ILE 50 2HG1 ILE 50 -12.788 18.948 14.355 336 HG13 ILE 50 3HG1 ILE 50 -11.816 17.689 13.602 337 HG21 ILE 50 1HG2 ILE 50 -15.374 19.091 11.743 338 HG22 ILE 50 2HG2 ILE 50 -14.922 19.646 13.354 339 HG23 ILE 50 3HG2 ILE 50 -14.031 20.216 11.943 340 HD11 ILE 50 3HD1 ILE 50 -10.652 19.777 13.476 341 HD12 ILE 50 1HD1 ILE 50 -11.160 19.307 11.854 342 HD13 ILE 50 2HD1 ILE 50 -12.046 20.557 12.729 343 H GLY 51 H GLY 51 -13.190 16.711 15.324 344 HA2 GLY 51 2HA GLY 51 -15.602 17.396 16.853 345 HA3 GLY 51 3HA GLY 51 -14.186 16.568 17.485 346 H GLU 52 H GLU 52 -14.881 18.398 19.116 347 HA GLU 52 HA GLU 52 -12.781 20.232 19.232 348 HB2 GLU 52 2HB GLU 52 -14.139 22.353 18.942 349 HB3 GLU 52 3HB GLU 52 -13.737 21.485 17.467 350 HG2 GLU 52 2HG GLU 52 -15.886 20.941 17.031 351 HG3 GLU 52 3HG GLU 52 -16.317 20.814 18.736 352 H ARG 53 H ARG 53 -12.515 20.554 21.333 353 HA ARG 53 HA ARG 53 -12.920 20.791 23.558 354 HB2 ARG 53 2HB ARG 53 -15.668 21.714 22.700 355 HB3 ARG 53 3HB ARG 53 -14.896 22.018 24.250 356 HG2 ARG 53 2HG ARG 53 -14.338 23.978 23.331 357 HG3 ARG 53 3HG ARG 53 -13.058 23.051 22.546 358 HD2 ARG 53 2HD ARG 53 -13.917 23.513 20.553 359 HD3 ARG 53 3HD ARG 53 -15.449 22.776 21.023 360 HE ARG 53 HE ARG 53 -14.828 25.589 20.925 361 HH11 ARG 53 1HH1 ARG 53 -16.918 23.139 22.250 362 HH12 ARG 53 2HH1 ARG 53 -18.222 24.236 22.562 363 HH21 ARG 53 1HH2 ARG 53 -16.539 27.042 21.330 364 HH22 ARG 53 2HH2 ARG 53 -18.006 26.456 22.037 365 H GLY 54 H GLY 54 -13.437 18.258 22.277 366 HA2 GLY 54 2HA GLY 54 -14.156 16.187 22.990 367 HA3 GLY 54 3HA GLY 54 -14.808 16.964 24.425 368 H ALA 55 H ALA 55 -15.450 16.470 20.969 369 HA ALA 55 HA ALA 55 -18.051 17.350 20.820 370 HB1 ALA 55 1HB ALA 55 -17.829 14.930 19.312 371 HB2 ALA 55 2HB ALA 55 -17.840 16.600 18.743 372 HB3 ALA 55 3HB ALA 55 -16.319 15.834 19.202 373 H ASN 56 H ASN 56 -20.065 16.050 20.661 374 HA ASN 56 HA ASN 56 -20.491 14.612 23.082 375 HB2 ASN 56 2HB ASN 56 -22.186 15.352 20.725 376 HB3 ASN 56 3HB ASN 56 -22.781 14.158 21.875 377 HD21 ASN 56 1HD2 ASN 56 -23.055 17.244 21.108 378 HD22 ASN 56 2HD2 ASN 56 -23.321 17.951 22.662 379 H PHE 57 H PHE 57 -21.133 12.439 23.346 380 HA PHE 57 HA PHE 57 -19.659 10.576 21.822 381 HB2 PHE 57 2HB PHE 57 -21.395 10.530 24.163 382 HB3 PHE 57 3HB PHE 57 -21.584 9.092 23.164 383 HD1 PHE 57 HD1 PHE 57 -19.146 8.231 22.263 384 HD2 PHE 57 HD2 PHE 57 -19.929 10.305 25.897 385 HE1 PHE 57 HE1 PHE 57 -17.098 7.281 23.243 386 HE2 PHE 57 HE2 PHE 57 -17.882 9.360 26.881 387 HZ PHE 57 HZ PHE 57 -16.463 7.846 25.554 388 H ASP 58 H ASP 58 -23.086 11.442 21.866 389 HA ASP 58 HA ASP 58 -23.950 9.450 20.058 390 HB2 ASP 58 2HB ASP 58 -25.149 12.153 20.700 391 HB3 ASP 58 3HB ASP 58 -25.962 10.884 19.789 392 H GLN 59 H GLN 59 -22.713 12.715 19.617 393 HA GLN 59 HA GLN 59 -23.288 12.842 16.824 394 HB2 GLN 59 2HB GLN 59 -21.550 14.466 18.667 395 HB3 GLN 59 3HB GLN 59 -21.584 14.765 16.935 396 HG2 GLN 59 2HG GLN 59 -24.227 14.619 18.175 397 HG3 GLN 59 3HG GLN 59 -23.216 15.936 18.768 398 HE21 GLN 59 1HE2 GLN 59 -22.059 17.142 16.944 399 HE22 GLN 59 2HE2 GLN 59 -23.033 17.551 15.578 400 H PHE 60 H PHE 60 -20.356 12.179 18.714 401 HA PHE 60 HA PHE 60 -18.589 11.878 16.569 402 HB2 PHE 60 2HB PHE 60 -17.643 12.060 18.731 403 HB3 PHE 60 3HB PHE 60 -18.613 10.730 19.354 404 HD1 PHE 60 HD1 PHE 60 -18.000 8.429 18.917 405 HD2 PHE 60 HD2 PHE 60 -15.646 11.653 17.440 406 HE1 PHE 60 HE1 PHE 60 -16.157 6.867 18.452 407 HE2 PHE 60 HE2 PHE 60 -13.801 10.096 16.971 408 HZ PHE 60 HZ PHE 60 -14.055 7.699 17.477 409 H ILE 61 H ILE 61 -20.516 9.438 18.290 410 HA ILE 61 HA ILE 61 -19.649 7.249 16.716 411 HB ILE 61 HB ILE 61 -22.159 7.574 18.362 412 HG12 ILE 61 2HG1 ILE 61 -20.021 7.737 19.612 413 HG13 ILE 61 3HG1 ILE 61 -20.962 6.320 20.062 414 HG21 ILE 61 1HG2 ILE 61 -21.925 4.972 18.327 415 HG22 ILE 61 2HG2 ILE 61 -22.726 5.811 17.000 416 HG23 ILE 61 3HG2 ILE 61 -21.056 5.271 16.822 417 HD11 ILE 61 3HD1 ILE 61 -18.606 5.787 19.881 418 HD12 ILE 61 1HD1 ILE 61 -19.537 4.929 18.653 419 HD13 ILE 61 2HD1 ILE 61 -18.592 6.351 18.210 420 H GLU 62 H GLU 62 -22.454 9.399 16.519 421 HA GLU 62 HA GLU 62 -23.832 8.085 14.475 422 HB2 GLU 62 2HB GLU 62 -24.912 9.834 15.714 423 HB3 GLU 62 3HB GLU 62 -23.708 11.011 15.208 424 HG2 GLU 62 2HG GLU 62 -24.538 11.089 13.021 425 HG3 GLU 62 3HG GLU 62 -25.470 9.608 13.231 426 H ALA 63 H ALA 63 -21.208 10.436 14.349 427 HA ALA 63 HA ALA 63 -21.274 10.754 11.513 428 HB1 ALA 63 1HB ALA 63 -20.256 12.562 12.447 429 HB2 ALA 63 2HB ALA 63 -19.479 11.612 13.714 430 HB3 ALA 63 3HB ALA 63 -18.825 11.600 12.076 431 H ILE 64 H ILE 64 -18.992 9.077 13.685 432 HA ILE 64 HA ILE 64 -17.538 7.845 11.594 433 HB ILE 64 HB ILE 64 -16.697 8.176 13.931 434 HG12 ILE 64 2HG1 ILE 64 -16.585 5.353 12.845 435 HG13 ILE 64 3HG1 ILE 64 -15.554 6.689 12.345 436 HG21 ILE 64 1HG2 ILE 64 -17.996 5.632 14.741 437 HG22 ILE 64 2HG2 ILE 64 -17.460 6.993 15.725 438 HG23 ILE 64 3HG2 ILE 64 -18.956 7.110 14.799 439 HD11 ILE 64 3HD1 ILE 64 -15.480 5.045 14.804 440 HD12 ILE 64 1HD1 ILE 64 -14.162 5.669 13.812 441 HD13 ILE 64 2HD1 ILE 64 -15.006 6.738 14.933 442 H ASP 65 H ASP 65 -17.659 5.818 10.706 443 HA ASP 65 HA ASP 65 -20.026 4.212 11.417 444 HB2 ASP 65 2HB ASP 65 -20.076 5.485 9.172 445 HB3 ASP 65 3HB ASP 65 -18.880 4.309 8.636 446 H LYS 66 H LYS 66 -19.811 1.903 10.575 447 HA LYS 66 HA LYS 66 -17.058 0.968 11.060 448 HB2 LYS 66 2HB LYS 66 -19.021 0.448 12.727 449 HB3 LYS 66 3HB LYS 66 -19.448 -0.772 11.535 450 HG2 LYS 66 2HG LYS 66 -16.905 -1.407 11.766 451 HG3 LYS 66 3HG LYS 66 -17.089 -0.616 13.333 452 HD2 LYS 66 2HD LYS 66 -17.712 -2.705 13.961 453 HD3 LYS 66 3HD LYS 66 -19.280 -2.153 13.368 454 HE2 LYS 66 2HE LYS 66 -18.512 -3.093 11.099 455 HE3 LYS 66 3HE LYS 66 -17.281 -3.945 12.030 456 HZ1 LYS 66 3HZ LYS 66 -18.828 -5.263 13.044 457 HZ2 LYS 66 1HZ LYS 66 -19.579 -5.043 11.544 458 HZ3 LYS 66 2HZ LYS 66 -20.081 -4.139 12.882 459 H ASN 67 H ASN 67 -16.613 1.092 8.794 460 HA ASN 67 HA ASN 67 -16.910 -1.324 7.425 461 HB2 ASN 67 2HB ASN 67 -19.201 0.315 7.196 462 HB3 ASN 67 3HB ASN 67 -18.361 0.414 5.652 463 HD21 ASN 67 1HD2 ASN 67 -19.428 -0.873 4.322 464 HD22 ASN 67 2HD2 ASN 67 -19.853 -2.518 4.636 465 H VAL 68 H VAL 68 -16.946 2.134 6.536 466 HA VAL 68 HA VAL 68 -14.882 1.738 4.566 467 HB VAL 68 HB VAL 68 -15.076 4.081 4.088 468 HG11 VAL 68 1HG1 VAL 68 -16.864 2.632 3.250 469 HG12 VAL 68 2HG1 VAL 68 -17.806 2.953 4.708 470 HG13 VAL 68 3HG1 VAL 68 -17.452 4.262 3.579 471 HG21 VAL 68 3HG2 VAL 68 -15.179 5.329 5.982 472 HG22 VAL 68 1HG2 VAL 68 -16.904 5.287 5.620 473 HG23 VAL 68 2HG2 VAL 68 -16.226 4.181 6.815 474 HA PRO 69 HA PRO 69 -11.330 2.552 7.016 475 HB2 PRO 69 2HB PRO 69 -9.733 3.796 5.206 476 HB3 PRO 69 3HB PRO 69 -10.084 2.064 5.148 477 HG2 PRO 69 2HG PRO 69 -11.315 4.300 3.583 478 HG3 PRO 69 3HG PRO 69 -10.803 2.695 3.028 479 HD2 PRO 69 2HD PRO 69 -13.390 3.299 3.552 480 HD3 PRO 69 3HD PRO 69 -12.717 1.676 3.810 481 H CYS 70 H CYS 70 -11.923 4.028 8.578 482 HA CYS 70 HA CYS 70 -11.695 6.874 7.855 483 HB2 CYS 70 2HB CYS 70 -13.170 7.395 9.682 484 HB3 CYS 70 3HB CYS 70 -13.923 6.131 8.717 485 HG CYS 70 HG CYS 70 -14.297 4.503 10.657 486 H TYR 71 H TYR 71 -10.355 8.196 9.013 487 HA TYR 71 HA TYR 71 -8.628 6.867 10.997 488 HB2 TYR 71 2HB TYR 71 -7.850 9.257 9.329 489 HB3 TYR 71 3HB TYR 71 -6.799 8.203 10.269 490 HD1 TYR 71 HD1 TYR 71 -8.758 8.512 7.174 491 HD2 TYR 71 HD2 TYR 71 -6.060 6.084 9.394 492 HE1 TYR 71 HE1 TYR 71 -8.355 7.141 5.173 493 HE2 TYR 71 HE2 TYR 71 -5.649 4.706 7.398 494 HH TYR 71 HH TYR 71 -7.005 5.562 4.263 495 H ALA 72 H ALA 72 -8.548 7.691 12.987 496 HA ALA 72 HA ALA 72 -9.771 10.336 13.438 497 HB1 ALA 72 1HB ALA 72 -9.594 8.201 15.536 498 HB2 ALA 72 2HB ALA 72 -10.664 9.602 15.465 499 HB3 ALA 72 3HB ALA 72 -10.919 8.242 14.372 500 H ALA 73 H ALA 73 -8.347 11.847 13.963 501 HA ALA 73 HA ALA 73 -5.850 11.050 15.296 502 HB1 ALA 73 1HB ALA 73 -6.488 12.968 13.213 503 HB2 ALA 73 2HB ALA 73 -5.545 13.684 14.521 504 HB3 ALA 73 3HB ALA 73 -4.936 12.265 13.668 505 H PHE 74 H PHE 74 -5.955 11.261 17.435 506 HA PHE 74 HA PHE 74 -7.390 13.576 18.551 507 HB2 PHE 74 2HB PHE 74 -8.114 11.174 19.143 508 HB3 PHE 74 3HB PHE 74 -6.644 11.112 20.110 509 HD1 PHE 74 HD2 PHE 74 -6.348 13.275 21.673 510 HD2 PHE 74 HD1 PHE 74 -10.044 11.737 20.229 511 HE1 PHE 74 HE2 PHE 74 -7.527 14.370 23.535 512 HE2 PHE 74 HE1 PHE 74 -11.230 12.830 22.087 513 HZ PHE 74 HZ PHE 74 -9.971 14.148 23.744 514 H ASP 75 H ASP 75 -6.288 15.061 19.666 515 HA ASP 75 HA ASP 75 -3.421 14.639 20.050 516 HB2 ASP 75 2HB ASP 75 -4.282 16.684 18.866 517 HB3 ASP 75 3HB ASP 75 -4.993 17.197 20.394 518 H PHE 76 H PHE 76 -2.625 14.126 21.970 519 HA PHE 76 HA PHE 76 -4.201 14.797 24.368 520 HB2 PHE 76 2HB PHE 76 -3.691 12.277 23.531 521 HB3 PHE 76 3HB PHE 76 -2.272 12.558 24.534 522 HD1 PHE 76 HD2 PHE 76 -5.945 13.211 24.730 523 HD2 PHE 76 HD1 PHE 76 -2.432 11.816 26.688 524 HE1 PHE 76 HE2 PHE 76 -7.271 12.702 26.739 525 HE2 PHE 76 HE1 PHE 76 -3.753 11.304 28.700 526 HZ PHE 76 HZ PHE 76 -6.175 11.748 28.728 527 H GLU 77 H GLU 77 -3.252 16.419 25.407 528 HA GLU 77 HA GLU 77 -0.313 16.408 25.626 529 HB2 GLU 77 2HB GLU 77 -0.936 18.287 24.287 530 HB3 GLU 77 3HB GLU 77 -2.221 18.733 25.400 531 HG2 GLU 77 2HG GLU 77 0.306 18.662 26.764 532 HG3 GLU 77 3HG GLU 77 0.395 19.700 25.342 533 H TYR 78 H TYR 78 0.398 16.046 27.611 534 HA TYR 78 HA TYR 78 -0.897 17.265 29.896 535 HB2 TYR 78 2HB TYR 78 -0.885 14.301 29.421 536 HB3 TYR 78 3HB TYR 78 -0.844 14.936 31.062 537 HD1 TYR 78 HD1 TYR 78 -2.738 16.342 31.883 538 HD2 TYR 78 HD2 TYR 78 -2.894 14.298 28.154 539 HE1 TYR 78 HE1 TYR 78 -5.184 16.602 31.850 540 HE2 TYR 78 HE2 TYR 78 -5.340 14.553 28.110 541 HH TYR 78 HH TYR 78 -7.191 14.877 30.071 542 H THR 79 H THR 79 0.459 17.516 31.645 543 HA THR 79 HA THR 79 3.281 17.106 31.092 544 HB THR 79 HB THR 79 2.103 18.403 33.548 545 HG1 THR 79 HG1 THR 79 1.280 19.601 31.889 546 HG21 THR 79 3HG2 THR 79 4.457 19.668 32.736 547 HG22 THR 79 1HG2 THR 79 4.770 17.945 32.539 548 HG23 THR 79 2HG2 THR 79 4.257 18.574 34.105 549 H THR 80 H THR 80 2.184 14.673 31.408 550 HA THR 80 HA THR 80 2.333 13.779 34.143 551 HB THR 80 HB THR 80 1.594 11.720 33.413 552 HG1 THR 80 HG1 THR 80 2.189 10.795 31.493 553 HG21 THR 80 3HG2 THR 80 -0.132 12.059 31.797 554 HG22 THR 80 1HG2 THR 80 0.723 13.424 31.081 555 HG23 THR 80 2HG2 THR 80 0.039 13.564 32.701 556 H ASN 81 H ASN 81 4.335 13.493 31.234 557 HA ASN 81 HA ASN 81 6.300 11.805 32.337 558 HB2 ASN 81 2HB ASN 81 5.995 13.449 29.921 559 HB3 ASN 81 3HB ASN 81 7.664 13.260 30.453 560 HD21 ASN 81 1HD2 ASN 81 8.162 12.021 28.644 561 HD22 ASN 81 2HD2 ASN 81 7.640 10.382 28.486 562 H ASP 82 H ASP 82 6.006 15.323 32.198 563 HA ASP 82 HA ASP 82 7.251 15.910 34.555 564 HB2 ASP 82 2HB ASP 82 9.326 15.005 34.007 565 HB3 ASP 82 3HB ASP 82 9.215 15.513 32.324 566 H GLY 83 H GLY 83 7.312 16.915 31.146 567 HA2 GLY 83 2HA GLY 83 6.559 19.626 32.051 568 HA3 GLY 83 3HA GLY 83 7.618 19.342 30.678 569 HA PRO 84 HA PRO 84 3.124 19.755 29.329 570 HB2 PRO 84 2HB PRO 84 3.456 21.987 27.819 571 HB3 PRO 84 3HB PRO 84 3.052 22.042 29.539 572 HG2 PRO 84 2HG PRO 84 5.711 22.379 28.207 573 HG3 PRO 84 3HG PRO 84 5.002 23.308 29.541 574 HD2 PRO 84 2HD PRO 84 6.844 21.363 29.937 575 HD3 PRO 84 3HD PRO 84 5.561 21.717 31.112 576 H ARG 85 H ARG 85 3.620 17.842 28.128 577 HA ARG 85 HA ARG 85 4.756 18.337 25.456 578 HB2 ARG 85 2HB ARG 85 4.936 16.075 27.342 579 HB3 ARG 85 3HB ARG 85 4.687 15.626 25.660 580 HG2 ARG 85 2HG ARG 85 6.814 17.599 26.341 581 HG3 ARG 85 3HG ARG 85 7.095 15.880 26.627 582 HD2 ARG 85 2HD ARG 85 6.050 15.869 24.106 583 HD3 ARG 85 3HD ARG 85 6.959 17.380 24.113 584 HE ARG 85 HE ARG 85 8.028 14.722 24.118 585 HH11 ARG 85 1HH1 ARG 85 8.624 18.025 25.042 586 HH12 ARG 85 2HH1 ARG 85 10.349 17.858 25.014 587 HH21 ARG 85 1HH2 ARG 85 10.297 14.490 24.077 588 HH22 ARG 85 2HH2 ARG 85 11.299 15.848 24.464 589 H ASP 86 H ASP 86 3.740 17.363 23.635 590 HA ASP 86 HA ASP 86 0.977 16.461 24.057 591 HB2 ASP 86 2HB ASP 86 0.071 17.944 22.488 592 HB3 ASP 86 3HB ASP 86 1.205 18.948 23.387 593 H LYS 87 H LYS 87 0.369 14.782 22.816 594 HA LYS 87 HA LYS 87 2.000 14.080 20.482 595 HB2 LYS 87 2HB LYS 87 2.843 12.770 22.391 596 HB3 LYS 87 3HB LYS 87 1.224 12.145 22.673 597 HG2 LYS 87 2HG LYS 87 1.351 10.666 20.978 598 HG3 LYS 87 3HG LYS 87 2.304 11.748 19.960 599 HD2 LYS 87 2HD LYS 87 3.614 10.696 22.400 600 HD3 LYS 87 3HD LYS 87 3.319 9.548 21.092 601 HE2 LYS 87 2HE LYS 87 4.644 10.760 19.584 602 HE3 LYS 87 3HE LYS 87 4.617 12.208 20.590 603 HZ1 LYS 87 3HZ LYS 87 5.952 11.004 22.238 604 HZ2 LYS 87 1HZ LYS 87 6.747 11.134 20.751 605 HZ3 LYS 87 2HZ LYS 87 6.031 9.669 21.201 606 H LEU 88 H LEU 88 0.810 13.535 18.767 607 HA LEU 88 HA LEU 88 -2.069 13.153 19.154 608 HB2 LEU 88 2HB LEU 88 -0.600 14.690 17.366 609 HB3 LEU 88 3HB LEU 88 -1.181 13.334 16.403 610 HG LEU 88 HG LEU 88 -3.063 14.943 18.095 611 HD11 LEU 88 1HD1 LEU 88 -1.822 16.514 16.665 612 HD12 LEU 88 2HD1 LEU 88 -3.517 16.375 16.200 613 HD13 LEU 88 3HD1 LEU 88 -2.273 15.560 15.252 614 HD21 LEU 88 3HD2 LEU 88 -3.476 13.438 15.517 615 HD22 LEU 88 1HD2 LEU 88 -4.714 14.123 16.571 616 HD23 LEU 88 2HD2 LEU 88 -3.749 12.753 17.120 617 H ILE 89 H ILE 89 -3.064 11.281 18.714 618 HA ILE 89 HA ILE 89 -1.452 9.134 17.496 619 HB ILE 89 HB ILE 89 -3.776 8.747 19.379 620 HG12 ILE 89 2HG1 ILE 89 -1.573 7.960 20.781 621 HG13 ILE 89 3HG1 ILE 89 -0.935 9.346 19.902 622 HG21 ILE 89 1HG2 ILE 89 -2.735 6.474 19.601 623 HG22 ILE 89 2HG2 ILE 89 -3.424 6.830 18.018 624 HG23 ILE 89 3HG2 ILE 89 -1.678 6.903 18.256 625 HD11 ILE 89 3HD1 ILE 89 -1.705 10.474 21.679 626 HD12 ILE 89 1HD1 ILE 89 -3.241 10.383 20.817 627 HD13 ILE 89 2HD1 ILE 89 -2.879 9.227 22.099 628 H LEU 90 H LEU 90 -2.444 7.726 16.029 629 HA LEU 90 HA LEU 90 -5.003 8.690 14.931 630 HB2 LEU 90 2HB LEU 90 -3.132 9.148 13.439 631 HB3 LEU 90 3HB LEU 90 -2.673 7.447 13.476 632 HG LEU 90 HG LEU 90 -5.417 7.916 12.568 633 HD11 LEU 90 1HD1 LEU 90 -4.327 9.919 11.647 634 HD12 LEU 90 2HD1 LEU 90 -4.812 8.781 10.390 635 HD13 LEU 90 3HD1 LEU 90 -3.120 8.890 10.874 636 HD21 LEU 90 3HD2 LEU 90 -3.867 5.812 12.517 637 HD22 LEU 90 1HD2 LEU 90 -3.258 6.544 11.032 638 HD23 LEU 90 2HD2 LEU 90 -4.969 6.139 11.179 639 H ILE 91 H ILE 91 -6.611 7.301 15.180 640 HA ILE 91 HA ILE 91 -5.984 4.421 15.262 641 HB ILE 91 HB ILE 91 -8.241 5.853 16.669 642 HG12 ILE 91 2HG1 ILE 91 -6.797 4.643 18.618 643 HG13 ILE 91 3HG1 ILE 91 -5.515 5.035 17.477 644 HG21 ILE 91 1HG2 ILE 91 -8.553 3.605 17.758 645 HG22 ILE 91 2HG2 ILE 91 -9.002 3.693 16.055 646 HG23 ILE 91 3HG2 ILE 91 -7.476 2.947 16.526 647 HD11 ILE 91 3HD1 ILE 91 -6.273 7.387 17.508 648 HD12 ILE 91 1HD1 ILE 91 -7.447 6.955 18.751 649 HD13 ILE 91 2HD1 ILE 91 -5.721 6.802 19.078 650 H SER 92 H SER 92 -6.961 3.146 13.819 651 HA SER 92 HA SER 92 -8.969 4.359 12.058 652 HB2 SER 92 2HB SER 92 -6.808 3.316 11.152 653 HB3 SER 92 3HB SER 92 -7.524 1.758 11.563 654 HG SER 92 HG SER 92 -8.783 3.690 9.912 655 H TRP 93 H TRP 93 -11.022 3.716 12.090 656 HA TRP 93 HA TRP 93 -11.681 1.267 13.590 657 HB2 TRP 93 2HB TRP 93 -12.460 3.605 14.425 658 HB3 TRP 93 3HB TRP 93 -13.638 3.496 13.119 659 HD1 TRP 93 HD1 TRP 93 -12.503 1.027 15.911 660 HE1 TRP 93 HE1 TRP 93 -14.621 0.017 16.968 661 HE3 TRP 93 HE3 TRP 93 -16.037 3.454 13.125 662 HZ2 TRP 93 HZ2 TRP 93 -17.420 0.222 16.662 663 HZ3 TRP 93 HZ3 TRP 93 -18.412 2.990 13.570 664 HH2 TRP 93 HH2 TRP 93 -19.087 1.406 15.302 665 H ASN 94 H ASN 94 -12.245 -0.350 12.300 666 HA ASN 94 HA ASN 94 -14.402 -0.304 10.554 667 HB2 ASN 94 2HB ASN 94 -12.954 -0.651 8.392 668 HB3 ASN 94 3HB ASN 94 -13.363 0.977 8.927 669 HD21 ASN 94 1HD2 ASN 94 -10.872 -1.490 9.482 670 HD22 ASN 94 2HD2 ASN 94 -9.539 -0.392 9.459 671 HA PRO 95 HA PRO 95 -13.791 -4.637 10.910 672 HB2 PRO 95 2HB PRO 95 -15.146 -5.532 8.734 673 HB3 PRO 95 3HB PRO 95 -15.951 -4.878 10.165 674 HG2 PRO 95 2HG PRO 95 -15.341 -3.540 7.558 675 HG3 PRO 95 3HG PRO 95 -16.821 -3.470 8.532 676 HD2 PRO 95 2HD PRO 95 -14.968 -1.496 8.555 677 HD3 PRO 95 3HD PRO 95 -15.946 -1.905 9.980 678 H ASP 96 H ASP 96 -12.139 -5.947 10.452 679 HA ASP 96 HA ASP 96 -10.249 -5.353 8.447 680 HB2 ASP 96 2HB ASP 96 -10.654 -7.556 10.407 681 HB3 ASP 96 3HB ASP 96 -9.566 -7.862 9.056 682 H SER 97 H SER 97 -12.854 -7.732 8.625 683 HA SER 97 HA SER 97 -12.222 -8.679 5.934 684 HB2 SER 97 2HB SER 97 -13.694 -9.750 8.249 685 HB3 SER 97 3HB SER 97 -14.449 -10.077 6.689 686 HG SER 97 HG SER 97 -12.410 -11.332 7.773 687 H GLY 98 H GLY 98 -13.578 -6.031 6.863 688 HA2 GLY 98 2HA GLY 98 -16.219 -5.921 6.046 689 HA3 GLY 98 3HA GLY 98 -15.086 -4.584 5.910 690 H ALA 99 H ALA 99 -14.024 -4.211 3.948 691 HA ALA 99 HA ALA 99 -15.004 -5.783 1.659 692 HB1 ALA 99 1HB ALA 99 -15.319 -2.921 2.194 693 HB2 ALA 99 2HB ALA 99 -14.702 -3.298 0.585 694 HB3 ALA 99 3HB ALA 99 -16.233 -3.986 1.126 695 HA PRO 100 HA PRO 100 -10.862 -5.982 0.224 696 HB2 PRO 100 2HB PRO 100 -11.168 -5.763 -2.464 697 HB3 PRO 100 3HB PRO 100 -11.640 -7.205 -1.558 698 HG2 PRO 100 2HG PRO 100 -13.338 -4.942 -2.538 699 HG3 PRO 100 3HG PRO 100 -13.665 -6.685 -2.577 700 HD2 PRO 100 2HD PRO 100 -14.740 -5.042 -0.712 701 HD3 PRO 100 3HD PRO 100 -14.333 -6.737 -0.371 702 H ARG 101 H ARG 101 -12.685 -3.417 -1.458 703 HA ARG 101 HA ARG 101 -10.396 -1.874 -2.099 704 HB2 ARG 101 2HB ARG 101 -13.276 -0.982 -1.865 705 HB3 ARG 101 3HB ARG 101 -11.987 -0.112 -2.686 706 HG2 ARG 101 2HG ARG 101 -12.816 -2.881 -3.491 707 HG3 ARG 101 3HG ARG 101 -13.591 -1.432 -4.134 708 HD2 ARG 101 2HD ARG 101 -11.813 -0.894 -5.417 709 HD3 ARG 101 3HD ARG 101 -10.648 -1.442 -4.212 710 HE ARG 101 HE ARG 101 -12.001 -3.643 -5.374 711 HH11 ARG 101 1HH1 ARG 101 -9.532 -1.276 -6.022 712 HH12 ARG 101 2HH1 ARG 101 -8.681 -2.281 -7.147 713 HH21 ARG 101 1HH2 ARG 101 -10.889 -4.976 -6.853 714 HH22 ARG 101 2HH2 ARG 101 -9.453 -4.385 -7.620 715 H THR 102 H THR 102 -12.694 -1.808 0.577 716 HA THR 102 HA THR 102 -11.774 0.588 1.760 717 HB THR 102 HB THR 102 -12.866 -0.302 3.849 718 HG1 THR 102 HG1 THR 102 -12.779 -2.591 2.355 719 HG21 THR 102 3HG2 THR 102 -14.870 -0.719 1.716 720 HG22 THR 102 1HG2 THR 102 -13.984 0.804 1.664 721 HG23 THR 102 2HG2 THR 102 -14.902 0.367 3.105 722 H LYS 103 H LYS 103 -10.851 -2.794 2.160 723 HA LYS 103 HA LYS 103 -9.127 -2.390 4.374 724 HB2 LYS 103 2HB LYS 103 -9.874 -4.602 4.023 725 HB3 LYS 103 3HB LYS 103 -9.400 -4.582 2.330 726 HG2 LYS 103 2HG LYS 103 -7.904 -5.967 3.656 727 HG3 LYS 103 3HG LYS 103 -7.052 -4.582 2.970 728 HD2 LYS 103 2HD LYS 103 -6.574 -3.735 4.992 729 HD3 LYS 103 3HD LYS 103 -8.190 -4.074 5.616 730 HE2 LYS 103 2HE LYS 103 -7.615 -6.178 6.341 731 HE3 LYS 103 3HE LYS 103 -6.312 -6.344 5.165 732 HZ1 LYS 103 3HZ LYS 103 -5.201 -6.047 7.153 733 HZ2 LYS 103 1HZ LYS 103 -6.305 -4.906 7.738 734 HZ3 LYS 103 2HZ LYS 103 -5.212 -4.479 6.519 735 H MET 104 H MET 104 -8.515 -2.686 0.883 736 HA MET 104 HA MET 104 -5.711 -2.277 1.103 737 HB2 MET 104 2HB MET 104 -7.488 -3.020 -0.918 738 HB3 MET 104 3HB MET 104 -6.810 -1.492 -1.464 739 HG2 MET 104 2HG MET 104 -4.907 -2.464 -2.029 740 HG3 MET 104 3HG MET 104 -4.736 -3.181 -0.429 741 HE1 MET 104 3HE MET 104 -3.923 -4.728 -3.503 742 HE2 MET 104 1HE MET 104 -3.370 -4.828 -1.831 743 HE3 MET 104 2HE MET 104 -4.063 -6.247 -2.617 744 H LEU 105 H LEU 105 -8.464 -0.161 0.779 745 HA LEU 105 HA LEU 105 -7.264 2.158 -0.156 746 HB2 LEU 105 2HB LEU 105 -9.669 1.482 1.379 747 HB3 LEU 105 3HB LEU 105 -9.075 3.121 1.639 748 HG LEU 105 HG LEU 105 -9.839 1.918 -1.022 749 HD11 LEU 105 1HD1 LEU 105 -11.256 4.239 0.135 750 HD12 LEU 105 2HD1 LEU 105 -11.570 2.668 0.870 751 HD13 LEU 105 3HD1 LEU 105 -11.864 2.910 -0.851 752 HD21 LEU 105 3HD2 LEU 105 -9.637 4.770 -0.991 753 HD22 LEU 105 1HD2 LEU 105 -8.780 3.604 -1.998 754 HD23 LEU 105 2HD2 LEU 105 -8.120 4.067 -0.429 755 H TYR 106 H TYR 106 -7.131 0.683 2.998 756 HA TYR 106 HA TYR 106 -6.186 2.925 4.443 757 HB2 TYR 106 2HB TYR 106 -7.086 1.078 5.668 758 HB3 TYR 106 3HB TYR 106 -5.949 -0.046 4.933 759 HD1 TYR 106 HD1 TYR 106 -3.638 -0.153 5.688 760 HD2 TYR 106 HD2 TYR 106 -6.399 2.546 7.475 761 HE1 TYR 106 HE1 TYR 106 -2.085 0.184 7.564 762 HE2 TYR 106 HE2 TYR 106 -4.852 2.891 9.356 763 HH TYR 106 HH TYR 106 -2.827 2.466 10.177 764 H SER 107 H SER 107 -4.503 0.211 2.885 765 HA SER 107 HA SER 107 -1.897 1.129 3.565 766 HB2 SER 107 2HB SER 107 -3.064 -1.101 2.109 767 HB3 SER 107 3HB SER 107 -1.621 -0.484 1.306 768 HG SER 107 HG SER 107 -1.625 -2.111 3.279 769 H SER 108 H SER 108 -3.873 1.341 0.628 770 HA SER 108 HA SER 108 -2.019 2.559 -1.048 771 HB2 SER 108 2HB SER 108 -5.029 2.793 -0.931 772 HB3 SER 108 3HB SER 108 -4.060 3.513 -2.217 773 HG SER 108 HG SER 108 -3.325 1.440 -2.752 774 H SER 109 H SER 109 -3.797 3.849 1.623 775 HA SER 109 HA SER 109 -3.047 6.591 0.901 776 HB2 SER 109 2HB SER 109 -4.874 7.304 2.035 777 HB3 SER 109 3HB SER 109 -5.405 5.628 1.891 778 HG SER 109 HG SER 109 -5.163 6.859 4.091 779 H ARG 110 H ARG 110 -2.270 4.014 3.045 780 HA ARG 110 HA ARG 110 -1.178 5.360 5.219 781 HB2 ARG 110 2HB ARG 110 -1.464 2.772 4.616 782 HB3 ARG 110 3HB ARG 110 0.240 2.945 4.218 783 HG2 ARG 110 2HG ARG 110 0.410 4.038 6.566 784 HG3 ARG 110 3HG ARG 110 -1.122 3.213 6.858 785 HD2 ARG 110 2HD ARG 110 -0.044 1.087 6.155 786 HD3 ARG 110 3HD ARG 110 1.488 1.951 6.032 787 HE ARG 110 HE ARG 110 0.608 2.452 8.571 788 HH11 ARG 110 1HH1 ARG 110 1.277 -0.407 6.700 789 HH12 ARG 110 2HH1 ARG 110 1.734 -1.358 8.074 790 HH21 ARG 110 1HH2 ARG 110 1.208 1.210 10.388 791 HH22 ARG 110 2HH2 ARG 110 1.694 -0.437 10.172 792 H ASP 111 H ASP 111 0.234 4.603 2.076 793 HA ASP 111 HA ASP 111 2.878 5.342 2.613 794 HB2 ASP 111 2HB ASP 111 1.254 4.799 0.258 795 HB3 ASP 111 3HB ASP 111 2.447 6.061 -0.039 796 H ALA 112 H ALA 112 0.130 7.272 1.482 797 HA ALA 112 HA ALA 112 1.678 9.694 1.337 798 HB1 ALA 112 1HB ALA 112 -0.804 10.624 1.196 799 HB2 ALA 112 2HB ALA 112 -0.017 9.839 -0.174 800 HB3 ALA 112 3HB ALA 112 -1.144 8.932 0.835 801 H LEU 113 H LEU 113 -0.138 8.030 3.748 802 HA LEU 113 HA LEU 113 -0.524 10.355 5.421 803 HB2 LEU 113 2HB LEU 113 -1.274 7.504 5.496 804 HB3 LEU 113 3HB LEU 113 -1.028 8.276 7.061 805 HG LEU 113 HG LEU 113 -2.907 9.353 4.967 806 HD11 LEU 113 1HD1 LEU 113 -3.337 6.961 5.976 807 HD12 LEU 113 2HD1 LEU 113 -4.647 8.129 5.801 808 HD13 LEU 113 3HD1 LEU 113 -3.878 7.895 7.371 809 HD21 LEU 113 3HD2 LEU 113 -2.149 10.077 7.736 810 HD22 LEU 113 1HD2 LEU 113 -3.856 10.207 7.310 811 HD23 LEU 113 2HD2 LEU 113 -2.646 11.101 6.388 812 H VAL 114 H VAL 114 1.910 8.010 4.892 813 HA VAL 114 HA VAL 114 3.116 7.836 7.406 814 HB VAL 114 HB VAL 114 4.065 7.465 4.610 815 HG11 VAL 114 1HG1 VAL 114 5.865 7.855 6.984 816 HG12 VAL 114 2HG1 VAL 114 6.353 6.905 5.579 817 HG13 VAL 114 3HG1 VAL 114 5.959 8.615 5.395 818 HG21 VAL 114 3HG2 VAL 114 4.110 5.268 5.164 819 HG22 VAL 114 1HG2 VAL 114 4.686 5.582 6.802 820 HG23 VAL 114 2HG2 VAL 114 2.980 5.799 6.411 821 HA PRO 115 HA PRO 115 5.858 11.609 6.111 822 HB2 PRO 115 2HB PRO 115 5.020 13.063 3.977 823 HB3 PRO 115 3HB PRO 115 6.117 11.685 3.830 824 HG2 PRO 115 2HG PRO 115 3.162 11.811 3.367 825 HG3 PRO 115 3HG PRO 115 4.412 10.999 2.406 826 HD2 PRO 115 2HD PRO 115 2.824 9.672 4.152 827 HD3 PRO 115 3HD PRO 115 4.499 9.183 3.823 828 H LEU 116 H LEU 116 2.388 11.918 5.490 829 HA LEU 116 HA LEU 116 2.149 14.594 6.392 830 HB2 LEU 116 2HB LEU 116 0.419 13.815 5.024 831 HB3 LEU 116 3HB LEU 116 0.206 12.349 5.979 832 HG LEU 116 HG LEU 116 -0.728 13.752 7.811 833 HD11 LEU 116 1HD1 LEU 116 0.404 15.856 7.007 834 HD12 LEU 116 2HD1 LEU 116 -1.290 16.023 7.467 835 HD13 LEU 116 3HD1 LEU 116 -0.842 15.952 5.762 836 HD21 LEU 116 3HD2 LEU 116 -2.659 13.115 6.927 837 HD22 LEU 116 1HD2 LEU 116 -1.914 13.008 5.331 838 HD23 LEU 116 2HD2 LEU 116 -2.634 14.526 5.868 839 H THR 117 H THR 117 1.532 11.471 7.970 840 HA THR 117 HA THR 117 1.276 12.858 10.544 841 HB THR 117 HB THR 117 0.266 10.872 11.421 842 HG1 THR 117 HG1 THR 117 1.371 9.708 9.124 843 HG21 THR 117 3HG2 THR 117 -0.763 11.468 8.646 844 HG22 THR 117 1HG2 THR 117 -1.256 12.247 10.149 845 HG23 THR 117 2HG2 THR 117 -1.648 10.552 9.865 846 H GLN 118 H GLN 118 3.820 12.929 9.718 847 HA GLN 118 HA GLN 118 5.389 10.679 10.437 848 HB2 GLN 118 2HB GLN 118 7.292 12.241 10.344 849 HB3 GLN 118 3HB GLN 118 6.252 12.384 8.933 850 HG2 GLN 118 2HG GLN 118 5.243 14.233 10.746 851 HG3 GLN 118 3HG GLN 118 6.996 14.369 10.884 852 HE21 GLN 118 1HE2 GLN 118 4.550 15.804 9.491 853 HE22 GLN 118 2HE2 GLN 118 5.234 16.272 7.975 854 H GLY 119 H GLY 119 5.862 9.926 12.390 855 HA2 GLY 119 2HA GLY 119 6.797 10.292 14.585 856 HA3 GLY 119 3HA GLY 119 5.928 11.818 14.649 857 H PHE 120 H PHE 120 3.402 10.972 13.821 858 HA PHE 120 HA PHE 120 2.402 9.898 16.262 859 HB2 PHE 120 2HB PHE 120 0.875 10.216 13.676 860 HB3 PHE 120 3HB PHE 120 0.222 10.185 15.311 861 HD1 PHE 120 HD1 PHE 120 2.004 12.014 16.729 862 HD2 PHE 120 HD2 PHE 120 0.331 12.294 12.825 863 HE1 PHE 120 HE1 PHE 120 2.163 14.467 16.840 864 HE2 PHE 120 HE2 PHE 120 0.489 14.747 12.929 865 HZ PHE 120 HZ PHE 120 1.406 15.837 14.938 866 H GLN 121 H GLN 121 1.048 7.988 16.456 867 HA GLN 121 HA GLN 121 2.078 5.790 14.804 868 HB2 GLN 121 2HB GLN 121 2.542 5.511 17.155 869 HB3 GLN 121 3HB GLN 121 0.857 5.801 17.566 870 HG2 GLN 121 2HG GLN 121 0.303 3.677 17.227 871 HG3 GLN 121 3HG GLN 121 1.173 3.608 15.696 872 HE21 GLN 121 1HE2 GLN 121 3.478 3.238 15.783 873 HE22 GLN 121 2HE2 GLN 121 4.141 2.306 17.077 874 H GLY 122 H GLY 122 0.732 4.399 13.736 875 HA2 GLY 122 2HA GLY 122 -2.128 5.138 13.738 876 HA3 GLY 122 3HA GLY 122 -1.264 4.565 12.319 877 H ILE 123 H ILE 123 -3.297 3.692 14.817 878 HA ILE 123 HA ILE 123 -2.614 0.842 14.505 879 HB ILE 123 HB ILE 123 -3.987 0.575 16.651 880 HG12 ILE 123 2HG1 ILE 123 -3.400 3.541 16.790 881 HG13 ILE 123 3HG1 ILE 123 -4.995 2.809 16.655 882 HG21 ILE 123 1HG2 ILE 123 -1.620 2.088 17.457 883 HG22 ILE 123 2HG2 ILE 123 -2.029 0.393 17.721 884 HG23 ILE 123 3HG2 ILE 123 -1.313 0.899 16.191 885 HD11 ILE 123 3HD1 ILE 123 -3.341 3.256 18.991 886 HD12 ILE 123 1HD1 ILE 123 -5.072 2.945 18.868 887 HD13 ILE 123 2HD1 ILE 123 -3.932 1.599 18.883 888 H GLN 124 H GLN 124 -4.115 -0.521 13.724 889 HA GLN 124 HA GLN 124 -6.761 0.606 13.102 890 HB2 GLN 124 2HB GLN 124 -5.526 -1.803 11.783 891 HB3 GLN 124 3HB GLN 124 -6.873 -0.826 11.216 892 HG2 GLN 124 2HG GLN 124 -5.331 0.097 9.887 893 HG3 GLN 124 3HG GLN 124 -4.927 1.038 11.322 894 HE21 GLN 124 1HE2 GLN 124 -3.021 0.673 12.370 895 HE22 GLN 124 2HE2 GLN 124 -1.787 -0.374 11.766 896 H ALA 125 H ALA 125 -8.431 -0.147 14.209 897 HA ALA 125 HA ALA 125 -8.517 -2.949 15.004 898 HB1 ALA 125 1HB ALA 125 -7.625 -2.251 17.003 899 HB2 ALA 125 2HB ALA 125 -8.386 -0.662 16.914 900 HB3 ALA 125 3HB ALA 125 -9.351 -2.079 17.325 901 H ASN 126 H ASN 126 -10.519 -3.781 14.858 902 HA ASN 126 HA ASN 126 -12.691 -1.948 14.159 903 HB2 ASN 126 2HB ASN 126 -13.692 -3.699 12.998 904 HB3 ASN 126 3HB ASN 126 -11.978 -4.036 12.769 905 HD21 ASN 126 1HD2 ASN 126 -14.398 -5.768 12.787 906 HD22 ASN 126 2HD2 ASN 126 -14.040 -7.020 13.923 907 H ASP 127 H ASP 127 -14.817 -2.257 15.051 908 HA ASP 127 HA ASP 127 -16.303 -2.503 16.757 909 HB2 ASP 127 2HB ASP 127 -14.637 -4.701 17.937 910 HB3 ASP 127 3HB ASP 127 -16.390 -4.543 17.882 911 H ALA 128 H ALA 128 -15.939 -3.221 19.439 912 HA ALA 128 HA ALA 128 -15.154 -0.843 20.607 913 HB1 ALA 128 1HB ALA 128 -16.216 -1.907 22.247 914 HB2 ALA 128 2HB ALA 128 -15.902 -3.485 21.523 915 HB3 ALA 128 3HB ALA 128 -14.697 -2.742 22.575 916 H SER 129 H SER 129 -13.211 -3.525 19.583 917 HA SER 129 HA SER 129 -10.931 -3.141 21.156 918 HB2 SER 129 2HB SER 129 -11.670 -4.757 18.953 919 HB3 SER 129 3HB SER 129 -10.174 -3.939 18.502 920 HG SER 129 HG SER 129 -9.265 -4.714 20.462 921 H GLY 130 H GLY 130 -12.201 -1.300 18.532 922 HA2 GLY 130 2HA GLY 130 -9.674 0.211 18.334 923 HA3 GLY 130 3HA GLY 130 -10.906 0.153 17.082 924 H LEU 131 H LEU 131 -11.830 0.492 20.410 925 HA LEU 131 HA LEU 131 -12.108 3.387 20.150 926 HB2 LEU 131 2HB LEU 131 -14.440 1.644 20.918 927 HB3 LEU 131 3HB LEU 131 -14.436 3.393 20.699 928 HG LEU 131 HG LEU 131 -13.940 1.439 18.460 929 HD11 LEU 131 1HD1 LEU 131 -16.450 2.366 19.699 930 HD12 LEU 131 2HD1 LEU 131 -16.107 0.901 18.779 931 HD13 LEU 131 3HD1 LEU 131 -16.381 2.426 17.938 932 HD21 LEU 131 3HD2 LEU 131 -13.708 4.267 18.715 933 HD22 LEU 131 1HD2 LEU 131 -15.046 3.902 17.625 934 HD23 LEU 131 2HD2 LEU 131 -13.439 3.256 17.294 935 H ASP 132 H ASP 132 -10.575 1.405 21.795 936 HA ASP 132 HA ASP 132 -11.645 1.824 24.469 937 HB2 ASP 132 2HB ASP 132 -9.657 0.043 23.234 938 HB3 ASP 132 3HB ASP 132 -9.205 0.636 24.830 939 H PHE 133 H PHE 133 -11.340 3.818 25.245 940 HA PHE 133 HA PHE 133 -9.413 5.655 24.521 941 HB2 PHE 133 2HB PHE 133 -11.021 5.289 27.030 942 HB3 PHE 133 3HB PHE 133 -9.829 6.579 26.918 943 HD1 PHE 133 HD2 PHE 133 -12.972 5.270 25.526 944 HD2 PHE 133 HD1 PHE 133 -10.229 8.524 25.615 945 HE1 PHE 133 HE2 PHE 133 -14.620 6.687 24.373 946 HE2 PHE 133 HE1 PHE 133 -11.874 9.946 24.463 947 HZ PHE 133 HZ PHE 133 -14.072 9.028 23.839 948 H GLU 134 H GLU 134 -9.302 3.290 27.163 949 HA GLU 134 HA GLU 134 -6.858 4.042 28.275 950 HB2 GLU 134 2HB GLU 134 -8.555 1.628 28.307 951 HB3 GLU 134 3HB GLU 134 -6.858 1.353 28.673 952 HG2 GLU 134 2HG GLU 134 -6.937 2.892 30.503 953 HG3 GLU 134 3HG GLU 134 -8.575 3.384 30.076 954 H GLU 135 H GLU 135 -7.586 2.128 25.440 955 HA GLU 135 HA GLU 135 -5.004 1.013 25.085 956 HB2 GLU 135 2HB GLU 135 -7.520 0.972 23.721 957 HB3 GLU 135 3HB GLU 135 -6.252 1.332 22.557 958 HG2 GLU 135 2HG GLU 135 -5.223 -0.743 24.086 959 HG3 GLU 135 3HG GLU 135 -6.919 -1.159 23.850 960 H ILE 136 H ILE 136 -6.561 3.952 23.892 961 HA ILE 136 HA ILE 136 -4.440 4.741 22.181 962 HB ILE 136 HB ILE 136 -6.579 6.433 23.479 963 HG12 ILE 136 2HG1 ILE 136 -6.498 5.407 20.644 964 HG13 ILE 136 3HG1 ILE 136 -7.278 4.512 21.944 965 HG21 ILE 136 1HG2 ILE 136 -4.756 7.830 22.776 966 HG22 ILE 136 2HG2 ILE 136 -4.693 7.029 21.207 967 HG23 ILE 136 3HG2 ILE 136 -6.087 8.020 21.635 968 HD11 ILE 136 3HD1 ILE 136 -8.709 6.508 22.354 969 HD12 ILE 136 1HD1 ILE 136 -8.012 7.235 20.907 970 HD13 ILE 136 2HD1 ILE 136 -8.946 5.744 20.783 971 H SER 137 H SER 137 -5.342 5.682 25.487 972 HA SER 137 HA SER 137 -3.281 7.549 25.880 973 HB2 SER 137 2HB SER 137 -5.128 7.552 27.400 974 HB3 SER 137 3HB SER 137 -4.859 5.863 27.831 975 HG SER 137 HG SER 137 -3.109 6.425 29.000 976 H ARG 138 H ARG 138 -3.432 4.066 26.450 977 HA ARG 138 HA ARG 138 -0.895 3.870 27.712 978 HB2 ARG 138 2HB ARG 138 -2.843 2.188 27.750 979 HB3 ARG 138 3HB ARG 138 -2.227 1.638 26.198 980 HG2 ARG 138 2HG ARG 138 -0.360 1.817 28.511 981 HG3 ARG 138 3HG ARG 138 -1.500 0.473 28.420 982 HD2 ARG 138 2HD ARG 138 -0.334 0.778 25.860 983 HD3 ARG 138 3HD ARG 138 0.972 0.823 27.044 984 HE ARG 138 HE ARG 138 -0.669 -1.312 27.718 985 HH11 ARG 138 1HH1 ARG 138 1.371 -0.345 25.067 986 HH12 ARG 138 2HH1 ARG 138 1.764 -1.969 24.607 987 HH21 ARG 138 1HH2 ARG 138 -0.159 -3.454 27.122 988 HH22 ARG 138 2HH2 ARG 138 0.892 -3.736 25.776 989 H LYS 139 H LYS 139 -1.996 3.634 24.379 990 HA LYS 139 HA LYS 139 0.393 2.635 23.264 991 HB2 LYS 139 2HB LYS 139 -1.964 2.838 22.216 992 HB3 LYS 139 3HB LYS 139 -1.477 4.474 21.795 993 HG2 LYS 139 2HG LYS 139 -1.108 2.999 19.928 994 HG3 LYS 139 3HG LYS 139 0.442 3.563 20.556 995 HD2 LYS 139 2HD LYS 139 1.090 1.449 20.773 996 HD3 LYS 139 3HD LYS 139 -0.198 1.195 21.952 997 HE2 LYS 139 2HE LYS 139 -1.741 0.765 20.016 998 HE3 LYS 139 3HE LYS 139 -0.323 0.786 18.970 999 HZ1 LYS 139 3HZ LYS 139 -0.233 -0.966 21.301 1000 HZ2 LYS 139 1HZ LYS 139 0.396 -1.199 19.748 1001 HZ3 LYS 139 2HZ LYS 139 -1.255 -1.429 20.035 1002 H VAL 140 H VAL 140 -0.834 5.958 23.588 1003 HA VAL 140 HA VAL 140 1.436 7.191 22.420 1004 HB VAL 140 HB VAL 140 -0.698 8.358 22.551 1005 HG11 VAL 140 1HG1 VAL 140 -1.604 9.177 24.631 1006 HG12 VAL 140 2HG1 VAL 140 -1.404 7.426 24.734 1007 HG13 VAL 140 3HG1 VAL 140 -0.248 8.495 25.529 1008 HG21 VAL 140 3HG2 VAL 140 0.850 10.121 24.304 1009 HG22 VAL 140 1HG2 VAL 140 1.768 9.451 22.955 1010 HG23 VAL 140 2HG2 VAL 140 0.294 10.369 22.648 1011 H LYS 141 H LYS 141 0.555 6.372 25.732 1012 HA LYS 141 HA LYS 141 2.644 7.768 27.017 1013 HB2 LYS 141 2HB LYS 141 0.711 6.993 28.258 1014 HB3 LYS 141 3HB LYS 141 1.092 5.320 27.874 1015 HG2 LYS 141 2HG LYS 141 2.971 5.312 29.285 1016 HG3 LYS 141 3HG LYS 141 2.973 7.071 29.424 1017 HD2 LYS 141 2HD LYS 141 0.443 6.227 30.297 1018 HD3 LYS 141 3HD LYS 141 1.605 5.118 31.029 1019 HE2 LYS 141 2HE LYS 141 1.599 6.787 32.593 1020 HE3 LYS 141 3HE LYS 141 2.902 7.349 31.546 1021 HZ1 LYS 141 3HZ LYS 141 0.973 8.938 32.273 1022 HZ2 LYS 141 1HZ LYS 141 0.170 8.231 30.962 1023 HZ3 LYS 141 2HZ LYS 141 1.637 9.037 30.720 1024 H SER 142 H SER 142 2.448 4.588 25.551 1025 HA SER 142 HA SER 142 5.043 3.784 26.542 1026 HB2 SER 142 2HB SER 142 3.629 1.944 26.323 1027 HB3 SER 142 3HB SER 142 2.952 2.519 24.800 1028 HG SER 142 HG SER 142 4.416 1.396 23.820 1029 H ASN 143 H ASN 143 3.673 5.155 23.641 1030 HA ASN 143 HA ASN 143 4.584 5.675 21.597 1031 HB2 ASN 143 2HB ASN 143 6.567 7.128 21.795 1032 HB3 ASN 143 3HB ASN 143 5.352 7.515 23.010 1033 HD21 ASN 143 1HD2 ASN 143 8.546 6.450 22.416 1034 HD22 ASN 143 2HD2 ASN 143 9.049 6.314 24.063 1035 H ARG 144 H ARG 144 4.991 2.971 22.168 1036 HA ARG 144 HA ARG 144 7.155 2.389 20.403 1037 HB2 ARG 144 2HB ARG 144 7.739 2.458 23.199 1038 HB3 ARG 144 3HB ARG 144 7.810 0.786 22.658 1039 HG2 ARG 144 2HG ARG 144 9.192 2.867 21.044 1040 HG3 ARG 144 3HG ARG 144 9.919 2.338 22.563 1041 HD2 ARG 144 2HD ARG 144 8.965 0.272 20.645 1042 HD3 ARG 144 3HD ARG 144 10.459 1.133 20.277 1043 HE ARG 144 HE ARG 144 10.772 0.324 22.859 1044 HH11 ARG 144 1HH1 ARG 144 10.022 -1.285 19.864 1045 HH12 ARG 144 2HH1 ARG 144 10.771 -2.777 20.328 1046 HH21 ARG 144 1HH2 ARG 144 11.761 -1.635 23.480 1047 HH22 ARG 144 2HH2 ARG 144 11.759 -2.976 22.385
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