NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27672 | 2roh | 11038 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 1HA GLY 1 2.210 -1.019 -1.572 3 HA3 GLY 1 2HA GLY 1 1.498 0.530 -1.994 4 H SER 2 H SER 2 4.118 -0.884 -0.051 5 HA SER 2 HA SER 2 5.727 1.508 -0.667 6 HB2 SER 2 1HB SER 2 6.458 1.589 1.469 7 HB3 SER 2 2HB SER 2 5.078 0.551 1.828 8 HG SER 2 HG SER 2 6.456 -1.248 1.567 9 HA PRO 3 HA PRO 3 8.726 -0.937 -2.732 10 HB2 PRO 3 1HB PRO 3 11.060 0.191 -1.926 11 HB3 PRO 3 2HB PRO 3 9.943 0.986 -3.043 12 HG2 PRO 3 1HG PRO 3 10.291 1.398 -0.098 13 HG3 PRO 3 2HG PRO 3 10.074 2.605 -1.378 14 HD2 PRO 3 1HD PRO 3 8.049 1.810 0.233 15 HD3 PRO 3 2HD PRO 3 7.791 2.298 -1.454 16 H PHE 4 H PHE 4 10.303 -2.576 -2.497 17 HA PHE 4 HA PHE 4 10.849 -3.423 0.267 18 HB2 PHE 4 1HB PHE 4 9.661 -4.998 -1.985 19 HB3 PHE 4 2HB PHE 4 10.671 -5.821 -0.800 20 HD1 PHE 4 HD1 PHE 4 10.050 -5.232 1.719 21 HD2 PHE 4 HD2 PHE 4 7.405 -4.936 -1.602 22 HE1 PHE 4 HE1 PHE 4 8.125 -5.406 3.241 23 HE2 PHE 4 HE2 PHE 4 5.475 -5.108 -0.085 24 HZ PHE 4 HZ PHE 4 5.834 -5.342 2.340 25 H ALA 5 H ALA 5 12.771 -4.622 0.580 26 HA ALA 5 HA ALA 5 14.992 -5.033 0.290 27 HB1 ALA 5 1HB ALA 5 14.220 -6.713 -1.252 28 HB2 ALA 5 2HB ALA 5 14.079 -5.517 -2.542 29 HB3 ALA 5 3HB ALA 5 15.668 -5.949 -1.908 30 H ASP 6 H ASP 6 14.686 -2.453 0.554 31 HA ASP 6 HA ASP 6 16.164 -1.192 -1.659 32 HB2 ASP 6 1HB ASP 6 15.317 0.954 -0.365 33 HB3 ASP 6 2HB ASP 6 14.274 0.112 -1.508 34 HA PRO 7 HA PRO 7 19.650 -0.436 0.892 35 HB2 PRO 7 1HB PRO 7 20.411 2.052 0.119 36 HB3 PRO 7 2HB PRO 7 20.614 0.625 -0.903 37 HG2 PRO 7 1HG PRO 7 18.477 2.720 -0.980 38 HG3 PRO 7 2HG PRO 7 19.352 1.964 -2.325 39 HD2 PRO 7 1HD PRO 7 16.851 1.213 -1.607 40 HD3 PRO 7 2HD PRO 7 18.033 0.075 -2.285 41 H ASN 8 H ASN 8 17.330 2.251 0.799 42 HA ASN 8 HA ASN 8 16.550 3.655 2.409 43 HB2 ASN 8 1HB ASN 8 16.248 1.354 3.541 44 HB3 ASN 8 2HB ASN 8 17.663 1.791 4.494 45 HD21 ASN 8 2HD2 ASN 8 16.315 1.691 6.348 46 HD22 ASN 8 1HD2 ASN 8 15.264 3.004 6.744 47 H SER 9 H SER 9 18.838 4.519 1.371 48 HA SER 9 HA SER 9 21.030 4.875 3.062 49 HB2 SER 9 1HB SER 9 20.146 6.966 1.082 50 HB3 SER 9 2HB SER 9 21.787 6.505 1.536 51 HG SER 9 HG SER 9 21.707 4.845 0.207 52 H LEU 10 H LEU 10 21.592 6.401 4.562 53 HA LEU 10 HA LEU 10 19.404 7.796 5.839 54 HB2 LEU 10 1HB LEU 10 22.298 7.372 6.510 55 HB3 LEU 10 2HB LEU 10 21.295 8.495 7.426 56 HG LEU 10 HG LEU 10 20.574 5.593 7.100 57 HD11 LEU 10 1HD1 LEU 10 22.872 6.036 8.161 58 HD12 LEU 10 2HD1 LEU 10 21.725 5.025 9.040 59 HD13 LEU 10 3HD1 LEU 10 21.958 6.708 9.512 60 HD21 LEU 10 3HD2 LEU 10 18.997 5.961 8.731 61 HD22 LEU 10 1HD2 LEU 10 18.970 7.507 7.883 62 HD23 LEU 10 2HD2 LEU 10 19.853 7.349 9.402 63 H ALA 11 H ALA 11 20.011 10.076 6.731 64 HA ALA 11 HA ALA 11 20.285 11.789 4.463 65 HB1 ALA 11 1HB ALA 11 20.161 12.465 7.400 66 HB2 ALA 11 2HB ALA 11 20.006 13.616 6.072 67 HB3 ALA 11 3HB ALA 11 18.789 12.359 6.295 68 H LEU 12 H LEU 12 22.448 10.553 6.859 69 HA LEU 12 HA LEU 12 24.688 10.773 7.181 70 HB2 LEU 12 1HB LEU 12 24.434 10.625 4.557 71 HB3 LEU 12 2HB LEU 12 25.001 12.291 4.641 72 HG LEU 12 HG LEU 12 26.538 10.090 5.972 73 HD11 LEU 12 1HD1 LEU 12 27.915 10.083 3.832 74 HD12 LEU 12 2HD1 LEU 12 26.507 10.807 3.056 75 HD13 LEU 12 3HD1 LEU 12 26.380 9.214 3.802 76 HD21 LEU 12 3HD2 LEU 12 27.976 11.724 6.402 77 HD22 LEU 12 1HD2 LEU 12 26.820 12.874 5.730 78 HD23 LEU 12 2HD2 LEU 12 28.055 12.159 4.694 79 H ALA 13 H ALA 13 24.944 12.141 8.853 80 HA ALA 13 HA ALA 13 24.898 15.032 8.302 81 HB1 ALA 13 1HB ALA 13 24.987 14.776 11.039 82 HB2 ALA 13 2HB ALA 13 23.538 15.054 10.071 83 HB3 ALA 13 3HB ALA 13 23.982 13.414 10.541 84 H ASN 14 H ASN 14 26.369 16.159 10.133 85 HA ASN 14 HA ASN 14 28.974 14.802 10.178 86 HB2 ASN 14 1HB ASN 14 28.676 16.574 8.304 87 HB3 ASN 14 2HB ASN 14 28.783 17.749 9.612 88 HD21 ASN 14 2HD2 ASN 14 30.726 18.331 10.324 89 HD22 ASN 14 1HD2 ASN 14 32.218 17.591 9.866 90 H VAL 15 H VAL 15 30.146 15.075 12.012 91 HA VAL 15 HA VAL 15 28.934 16.752 14.110 92 HB VAL 15 HB VAL 15 30.224 15.237 15.693 93 HG11 VAL 15 1HG1 VAL 15 27.929 14.922 15.710 94 HG12 VAL 15 2HG1 VAL 15 27.890 14.362 14.037 95 HG13 VAL 15 3HG1 VAL 15 28.531 13.315 15.304 96 HG21 VAL 15 3HG2 VAL 15 30.209 13.159 13.574 97 HG22 VAL 15 1HG2 VAL 15 31.521 14.339 13.556 98 HG23 VAL 15 2HG2 VAL 15 31.257 13.334 14.982 99 HA PRO 16 HA PRO 16 32.559 19.213 14.390 100 HB2 PRO 16 1HB PRO 16 32.618 19.765 17.048 101 HB3 PRO 16 2HB PRO 16 31.435 20.479 15.945 102 HG2 PRO 16 1HG PRO 16 31.127 18.155 17.807 103 HG3 PRO 16 2HG PRO 16 30.004 19.490 17.488 104 HD2 PRO 16 1HD PRO 16 29.707 17.039 16.375 105 HD3 PRO 16 2HD PRO 16 29.217 18.531 15.546 106 H LEU 17 H LEU 17 34.730 19.278 15.165 107 HA LEU 17 HA LEU 17 35.745 17.291 16.950 108 HB2 LEU 17 1HB LEU 17 35.313 16.141 14.668 109 HB3 LEU 17 2HB LEU 17 36.742 17.026 14.140 110 HG LEU 17 HG LEU 17 38.073 15.892 15.857 111 HD11 LEU 17 1HD1 LEU 17 36.914 13.826 16.886 112 HD12 LEU 17 2HD1 LEU 17 35.419 14.703 16.561 113 HD13 LEU 17 3HD1 LEU 17 36.644 15.409 17.615 114 HD21 LEU 17 3HD2 LEU 17 36.627 13.715 14.416 115 HD22 LEU 17 1HD2 LEU 17 38.358 13.946 14.665 116 HD23 LEU 17 2HD2 LEU 17 37.495 14.942 13.492 117 H SER 18 H SER 18 37.852 17.707 17.590 118 HA SER 18 HA SER 18 38.935 20.263 16.633 119 HB2 SER 18 1HB SER 18 38.375 19.603 19.163 120 HB3 SER 18 2HB SER 18 40.015 18.959 19.083 121 HG SER 18 HG SER 18 39.240 21.493 19.361 122 H ARG 19 H ARG 19 41.498 20.225 17.258 123 HA ARG 19 HA ARG 19 42.764 17.779 16.352 124 HB2 ARG 19 1HB ARG 19 42.503 20.212 14.664 125 HB3 ARG 19 2HB ARG 19 44.061 19.396 14.658 126 HG2 ARG 19 1HG ARG 19 41.423 18.085 14.034 127 HG3 ARG 19 2HG ARG 19 42.585 18.659 12.836 128 HD2 ARG 19 1HD ARG 19 44.258 17.139 14.118 129 HD3 ARG 19 2HD ARG 19 42.802 16.363 14.741 130 HE ARG 19 HE ARG 19 42.775 16.619 11.894 131 HH11 ARG 19 1HH1 ARG 19 43.963 14.701 14.545 132 HH12 ARG 19 2HH1 ARG 19 44.103 13.252 13.605 133 HH21 ARG 19 1HH2 ARG 19 42.955 14.719 10.646 134 HH22 ARG 19 2HH2 ARG 19 43.530 13.264 11.387 135 H SER 20 H SER 20 44.890 17.611 16.974 136 HA SER 20 HA SER 20 46.141 19.947 18.231 137 HB2 SER 20 1HB SER 20 46.310 17.270 19.582 138 HB3 SER 20 2HB SER 20 46.576 18.875 20.261 139 HG SER 20 HG SER 20 44.208 17.483 19.848 140 H LYS 21 H LYS 21 48.420 19.873 18.341 141 HA LYS 21 HA LYS 21 49.841 17.630 17.202 142 HB2 LYS 21 1HB LYS 21 50.846 18.880 15.366 143 HB3 LYS 21 2HB LYS 21 49.097 18.830 15.189 144 HG2 LYS 21 1HG LYS 21 50.147 21.166 16.632 145 HG3 LYS 21 2HG LYS 21 50.589 21.059 14.926 146 HD2 LYS 21 1HD LYS 21 48.598 21.991 14.514 147 HD3 LYS 21 2HD LYS 21 47.912 20.415 14.917 148 HE2 LYS 21 1HE LYS 21 47.210 21.096 16.979 149 HE3 LYS 21 2HE LYS 21 48.512 22.273 17.154 150 HZ1 LYS 21 3HZ LYS 21 45.902 22.788 16.452 151 HZ2 LYS 21 1HZ LYS 21 46.780 22.982 15.018 152 HZ3 LYS 21 2HZ LYS 21 47.199 23.871 16.394 153 H ARG 22 H ARG 22 52.264 18.270 16.967 154 HA ARG 22 HA ARG 22 53.109 20.317 18.846 155 HB2 ARG 22 1HB ARG 22 52.737 17.758 19.801 156 HB3 ARG 22 2HB ARG 22 54.451 17.778 19.409 157 HG2 ARG 22 1HG ARG 22 54.930 19.398 20.973 158 HG3 ARG 22 2HG ARG 22 53.276 20.016 20.992 159 HD2 ARG 22 1HD ARG 22 52.938 18.810 22.829 160 HD3 ARG 22 2HD ARG 22 53.060 17.368 21.822 161 HE ARG 22 HE ARG 22 55.038 18.381 23.662 162 HH11 ARG 22 1HH1 ARG 22 54.425 16.341 20.909 163 HH12 ARG 22 2HH1 ARG 22 55.824 15.352 21.166 164 HH21 ARG 22 1HH2 ARG 22 56.883 17.087 24.011 165 HH22 ARG 22 2HH2 ARG 22 57.221 15.776 22.931 166 HA PRO 23 HA PRO 23 56.364 20.628 15.892 167 HB2 PRO 23 1HB PRO 23 58.117 22.081 17.370 168 HB3 PRO 23 2HB PRO 23 56.651 22.772 16.666 169 HG2 PRO 23 1HG PRO 23 57.148 21.835 19.465 170 HG3 PRO 23 2HG PRO 23 56.310 23.294 18.906 171 HD2 PRO 23 1HD PRO 23 54.987 21.078 19.726 172 HD3 PRO 23 2HD PRO 23 54.356 22.154 18.462 173 H ASP 24 H ASP 24 58.972 20.600 16.133 174 HA ASP 24 HA ASP 24 59.764 18.359 17.841 175 HB2 ASP 24 1HB ASP 24 59.093 17.564 15.505 176 HB3 ASP 24 2HB ASP 24 60.518 18.420 14.922 177 H PHE 25 H PHE 25 62.052 18.179 18.159 178 HA PHE 25 HA PHE 25 63.610 20.527 17.331 179 HB2 PHE 25 1HB PHE 25 63.646 19.408 20.139 180 HB3 PHE 25 2HB PHE 25 64.492 20.837 19.554 181 HD1 PHE 25 HD2 PHE 25 62.707 22.496 18.259 182 HD2 PHE 25 HD1 PHE 25 61.882 19.874 21.509 183 HE1 PHE 25 HE2 PHE 25 60.784 23.894 18.894 184 HE2 PHE 25 HE1 PHE 25 59.957 21.267 22.148 185 HZ PHE 25 HZ PHE 25 59.407 23.281 20.841 186 H GLY 26 H GLY 26 65.989 20.209 17.775 187 HA2 GLY 26 1HA GLY 26 67.005 17.569 18.136 188 HA3 GLY 26 2HA GLY 26 66.972 18.005 16.434 189 H GLN 27 H GLN 27 69.365 17.551 16.961 190 HA GLN 27 HA GLN 27 70.675 20.117 17.116 191 HB2 GLN 27 1HB GLN 27 72.287 19.320 18.878 192 HB3 GLN 27 2HB GLN 27 70.661 19.663 19.454 193 HG2 GLN 27 1HG GLN 27 70.174 17.219 19.285 194 HG3 GLN 27 2HG GLN 27 71.884 16.967 18.936 195 HE21 GLN 27 2HE2 GLN 27 73.153 16.576 20.600 196 HE22 GLN 27 1HE2 GLN 27 72.808 16.946 22.251 197 H ARG 28 H ARG 28 72.354 20.169 15.759 198 HA ARG 28 HA ARG 28 73.198 17.654 14.531 199 HB2 ARG 28 1HB ARG 28 72.500 19.940 13.343 200 HB3 ARG 28 2HB ARG 28 74.211 20.279 13.564 201 HG2 ARG 28 1HG ARG 28 74.867 18.667 12.088 202 HG3 ARG 28 2HG ARG 28 73.439 17.670 12.374 203 HD2 ARG 28 1HD ARG 28 72.160 19.635 11.262 204 HD3 ARG 28 2HD ARG 28 73.746 20.087 10.637 205 HE ARG 28 HE ARG 28 73.657 18.301 9.201 206 HH11 ARG 28 1HH1 ARG 28 71.175 17.966 11.619 207 HH12 ARG 28 2HH1 ARG 28 70.407 16.627 10.832 208 HH21 ARG 28 1HH2 ARG 28 72.655 16.539 8.156 209 HH22 ARG 28 2HH2 ARG 28 71.250 15.816 8.863 210 H ARG 29 H ARG 29 75.624 17.779 13.768 211 HA ARG 29 HA ARG 29 77.227 17.478 16.026 212 HB2 ARG 29 1HB ARG 29 79.137 17.472 14.429 213 HB3 ARG 29 2HB ARG 29 77.820 16.408 13.952 214 HG2 ARG 29 1HG ARG 29 77.246 17.693 12.150 215 HG3 ARG 29 2HG ARG 29 77.873 19.177 12.870 216 HD2 ARG 29 1HD ARG 29 80.019 18.758 12.203 217 HD3 ARG 29 2HD ARG 29 79.802 17.008 12.240 218 HE ARG 29 HE ARG 29 78.257 18.231 10.180 219 HH11 ARG 29 1HH1 ARG 29 81.462 17.160 11.016 220 HH12 ARG 29 2HH1 ARG 29 81.946 16.901 9.373 221 HH21 ARG 29 1HH2 ARG 29 78.882 17.895 8.012 222 HH22 ARG 29 2HH2 ARG 29 80.478 17.321 7.665 223 H ILE 30 H ILE 30 79.474 18.716 16.083 224 HA ILE 30 HA ILE 30 78.804 21.440 16.764 225 HB ILE 30 HB ILE 30 81.465 20.021 16.938 226 HG12 ILE 30 1HG1 ILE 30 79.697 18.969 18.313 227 HG13 ILE 30 2HG1 ILE 30 80.950 19.714 19.300 228 HG21 ILE 30 1HG2 ILE 30 80.567 22.750 17.578 229 HG22 ILE 30 2HG2 ILE 30 81.547 21.958 18.812 230 HG23 ILE 30 3HG2 ILE 30 82.174 22.147 17.174 231 HD11 ILE 30 3HD1 ILE 30 79.447 20.951 20.340 232 HD12 ILE 30 1HD1 ILE 30 78.864 21.605 18.810 233 HD13 ILE 30 2HD1 ILE 30 78.184 20.107 19.445 234 H ARG 31 H ARG 31 78.763 22.950 15.237 235 HA ARG 31 HA ARG 31 80.478 22.720 12.895 236 HB2 ARG 31 1HB ARG 31 77.907 23.821 13.417 237 HB3 ARG 31 2HB ARG 31 78.951 25.132 12.882 238 HG2 ARG 31 1HG ARG 31 79.352 24.130 10.815 239 HG3 ARG 31 2HG ARG 31 78.802 22.549 11.373 240 HD2 ARG 31 1HD ARG 31 76.515 23.456 11.578 241 HD3 ARG 31 2HD ARG 31 77.090 24.992 10.932 242 HE ARG 31 HE ARG 31 76.982 24.088 8.842 243 HH11 ARG 31 1HH1 ARG 31 77.092 21.501 11.169 244 HH12 ARG 31 2HH1 ARG 31 76.853 20.255 9.989 245 HH21 ARG 31 1HH2 ARG 31 76.668 22.457 7.279 246 HH22 ARG 31 2HH2 ARG 31 76.613 20.799 7.776 247 H ARG 32 H ARG 32 81.272 25.014 12.096 248 HA ARG 32 HA ARG 32 82.789 26.179 14.335 249 HB2 ARG 32 1HB ARG 32 83.482 25.588 11.497 250 HB3 ARG 32 2HB ARG 32 84.232 26.986 12.255 251 HG2 ARG 32 1HG ARG 32 84.906 25.393 14.130 252 HG3 ARG 32 2HG ARG 32 84.468 24.097 13.015 253 HD2 ARG 32 1HD ARG 32 86.138 24.692 11.487 254 HD3 ARG 32 2HD ARG 32 86.347 26.289 12.204 255 HE ARG 32 HE ARG 32 87.072 24.655 14.213 256 HH11 ARG 32 1HH1 ARG 32 87.979 24.793 10.854 257 HH12 ARG 32 2HH1 ARG 32 89.571 24.166 11.124 258 HH21 ARG 32 1HH2 ARG 32 89.165 23.827 14.580 259 HH22 ARG 32 2HH2 ARG 32 90.245 23.616 13.244 260 HA PRO 33 HA PRO 33 81.061 30.155 13.671 261 HB2 PRO 33 1HB PRO 33 83.200 31.791 14.019 262 HB3 PRO 33 2HB PRO 33 82.425 30.926 15.352 263 HG2 PRO 33 1HG PRO 33 84.909 30.231 13.832 264 HG3 PRO 33 2HG PRO 33 84.605 30.150 15.577 265 HD2 PRO 33 1HD PRO 33 84.512 27.966 13.979 266 HD3 PRO 33 2HD PRO 33 83.484 28.142 15.416 267 H PHE 34 H PHE 34 80.604 31.542 12.036 268 HA PHE 34 HA PHE 34 82.416 31.524 9.712 269 HB2 PHE 34 1HB PHE 34 80.164 32.159 8.501 270 HB3 PHE 34 2HB PHE 34 80.542 30.478 8.864 271 HD1 PHE 34 HD1 PHE 34 79.114 33.311 10.833 272 HD2 PHE 34 HD2 PHE 34 78.669 29.307 9.461 273 HE1 PHE 34 HE1 PHE 34 77.010 33.117 12.093 274 HE2 PHE 34 HE2 PHE 34 76.564 29.106 10.717 275 HZ PHE 34 HZ PHE 34 75.731 31.013 12.035 276 H THR 35 H THR 35 82.244 33.476 8.320 277 HA THR 35 HA THR 35 82.136 35.864 10.014 278 HB THR 35 HB THR 35 83.235 35.739 7.210 279 HG1 THR 35 HG1 THR 35 84.540 34.310 8.195 280 HG21 THR 35 3HG2 THR 35 83.438 37.631 9.525 281 HG22 THR 35 1HG2 THR 35 83.060 37.972 7.838 282 HG23 THR 35 2HG2 THR 35 84.712 37.571 8.308 283 H VAL 36 H VAL 36 81.060 37.759 9.349 284 HA VAL 36 HA VAL 36 78.504 37.473 8.354 285 HB VAL 36 HB VAL 36 79.169 39.452 9.590 286 HG11 VAL 36 1HG1 VAL 36 80.593 41.153 8.700 287 HG12 VAL 36 2HG1 VAL 36 81.446 39.613 8.571 288 HG13 VAL 36 3HG1 VAL 36 80.695 40.329 7.144 289 HG21 VAL 36 3HG2 VAL 36 78.367 40.398 6.853 290 HG22 VAL 36 1HG2 VAL 36 77.272 39.480 7.886 291 HG23 VAL 36 2HG2 VAL 36 77.890 41.042 8.424 292 H ALA 37 H ALA 37 81.479 38.203 6.613 293 HA ALA 37 HA ALA 37 80.209 38.733 4.114 294 HB1 ALA 37 1HB ALA 37 82.445 38.683 3.176 295 HB2 ALA 37 2HB ALA 37 82.437 39.603 4.681 296 HB3 ALA 37 3HB ALA 37 83.073 37.958 4.657 297 H GLU 38 H GLU 38 81.941 35.920 5.435 298 HA GLU 38 HA GLU 38 81.716 34.267 3.192 299 HB2 GLU 38 1HB GLU 38 81.875 33.574 6.128 300 HB3 GLU 38 2HB GLU 38 81.990 32.386 4.837 301 HG2 GLU 38 1HG GLU 38 83.859 34.707 5.259 302 HG3 GLU 38 2HG GLU 38 84.184 33.027 5.683 303 H VAL 39 H VAL 39 79.542 34.713 5.950 304 HA VAL 39 HA VAL 39 77.688 32.705 5.203 305 HB VAL 39 HB VAL 39 77.264 35.164 6.909 306 HG11 VAL 39 1HG1 VAL 39 75.330 33.951 7.814 307 HG12 VAL 39 2HG1 VAL 39 75.149 34.286 6.091 308 HG13 VAL 39 3HG1 VAL 39 75.592 32.667 6.634 309 HG21 VAL 39 3HG2 VAL 39 78.582 32.613 7.372 310 HG22 VAL 39 1HG2 VAL 39 78.617 34.095 8.327 311 HG23 VAL 39 2HG2 VAL 39 77.302 32.939 8.540 312 H GLU 40 H GLU 40 77.797 36.207 4.649 313 HA GLU 40 HA GLU 40 75.319 36.523 3.426 314 HB2 GLU 40 1HB GLU 40 77.902 37.997 3.352 315 HB3 GLU 40 2HB GLU 40 76.718 38.377 2.109 316 HG2 GLU 40 1HG GLU 40 75.176 38.435 4.340 317 HG3 GLU 40 2HG GLU 40 76.721 39.005 4.969 318 H LEU 41 H LEU 41 78.475 35.912 1.889 319 HA LEU 41 HA LEU 41 77.467 35.707 -0.737 320 HB2 LEU 41 1HB LEU 41 79.939 34.375 0.349 321 HB3 LEU 41 2HB LEU 41 79.606 34.805 -1.327 322 HG LEU 41 HG LEU 41 79.654 37.025 0.631 323 HD11 LEU 41 1HD1 LEU 41 82.152 35.588 -0.255 324 HD12 LEU 41 2HD1 LEU 41 81.546 35.715 1.396 325 HD13 LEU 41 3HD1 LEU 41 82.102 37.158 0.548 326 HD21 LEU 41 3HD2 LEU 41 79.242 37.549 -1.656 327 HD22 LEU 41 1HD2 LEU 41 80.622 36.588 -2.188 328 HD23 LEU 41 2HD2 LEU 41 80.883 38.079 -1.283 329 H LEU 42 H LEU 42 78.115 33.284 1.759 330 HA LEU 42 HA LEU 42 77.621 30.995 0.228 331 HB2 LEU 42 1HB LEU 42 78.598 30.540 2.259 332 HB3 LEU 42 2HB LEU 42 77.537 31.643 3.134 333 HG LEU 42 HG LEU 42 75.734 30.047 3.059 334 HD11 LEU 42 1HD1 LEU 42 75.626 28.683 1.305 335 HD12 LEU 42 2HD1 LEU 42 76.817 27.678 2.131 336 HD13 LEU 42 3HD1 LEU 42 77.343 28.877 0.950 337 HD21 LEU 42 3HD2 LEU 42 77.975 29.793 4.566 338 HD22 LEU 42 1HD2 LEU 42 77.880 28.195 3.826 339 HD23 LEU 42 2HD2 LEU 42 76.521 28.814 4.764 340 H VAL 43 H VAL 43 75.418 32.933 2.232 341 HA VAL 43 HA VAL 43 73.117 31.373 1.802 342 HB VAL 43 HB VAL 43 73.327 34.324 2.413 343 HG11 VAL 43 1HG1 VAL 43 70.976 33.720 3.431 344 HG12 VAL 43 2HG1 VAL 43 71.145 34.169 1.733 345 HG13 VAL 43 3HG1 VAL 43 71.009 32.470 2.188 346 HG21 VAL 43 3HG2 VAL 43 74.159 32.259 3.968 347 HG22 VAL 43 1HG2 VAL 43 73.585 33.808 4.586 348 HG23 VAL 43 2HG2 VAL 43 72.485 32.432 4.496 349 H GLU 44 H GLU 44 74.440 34.150 0.053 350 HA GLU 44 HA GLU 44 72.274 34.483 -1.725 351 HB2 GLU 44 1HB GLU 44 74.391 35.986 -1.198 352 HB3 GLU 44 2HB GLU 44 75.056 35.136 -2.586 353 HG2 GLU 44 1HG GLU 44 73.171 35.887 -3.948 354 HG3 GLU 44 2HG GLU 44 72.515 36.750 -2.558 355 H ALA 45 H ALA 45 75.058 32.375 -1.736 356 HA ALA 45 HA ALA 45 74.977 31.607 -4.451 357 HB1 ALA 45 1HB ALA 45 76.916 31.218 -2.999 358 HB2 ALA 45 2HB ALA 45 75.985 30.028 -2.088 359 HB3 ALA 45 3HB ALA 45 76.371 29.734 -3.783 360 H VAL 46 H VAL 46 73.618 30.081 -1.536 361 HA VAL 46 HA VAL 46 72.289 28.030 -3.043 362 HB VAL 46 HB VAL 46 72.951 27.455 -0.826 363 HG11 VAL 46 1HG1 VAL 46 71.912 28.637 1.147 364 HG12 VAL 46 2HG1 VAL 46 73.116 29.562 0.246 365 HG13 VAL 46 3HG1 VAL 46 71.398 29.890 0.018 366 HG21 VAL 46 3HG2 VAL 46 69.982 27.842 -0.587 367 HG22 VAL 46 1HG2 VAL 46 70.685 26.687 -1.720 368 HG23 VAL 46 2HG2 VAL 46 70.973 26.511 0.011 369 H GLU 47 H GLU 47 71.449 31.165 -1.747 370 HA GLU 47 HA GLU 47 68.625 30.870 -2.022 371 HB2 GLU 47 1HB GLU 47 69.561 32.505 -0.481 372 HB3 GLU 47 2HB GLU 47 70.344 33.347 -1.811 373 HG2 GLU 47 1HG GLU 47 68.169 33.926 -2.740 374 HG3 GLU 47 2HG GLU 47 67.372 33.064 -1.425 375 H HIS 48 H HIS 48 71.162 32.344 -4.010 376 HA HIS 48 HA HIS 48 69.645 33.512 -5.987 377 HB2 HIS 48 1HB HIS 48 72.102 33.689 -5.838 378 HB3 HIS 48 2HB HIS 48 72.247 32.015 -6.366 379 HD1 HIS 48 HD1 HIS 48 71.729 31.513 -8.868 380 HD2 HIS 48 HD2 HIS 48 71.599 35.540 -7.854 381 HE1 HIS 48 HE1 HIS 48 71.732 32.757 -11.053 382 H LEU 49 H LEU 49 70.357 30.123 -5.487 383 HA LEU 49 HA LEU 49 68.876 29.447 -7.935 384 HB2 LEU 49 1HB LEU 49 70.512 27.567 -6.255 385 HB3 LEU 49 2HB LEU 49 69.931 27.326 -7.901 386 HG LEU 49 HG LEU 49 71.758 29.609 -7.520 387 HD11 LEU 49 1HD1 LEU 49 73.750 28.228 -7.442 388 HD12 LEU 49 2HD1 LEU 49 72.762 26.773 -7.322 389 HD13 LEU 49 3HD1 LEU 49 72.757 27.953 -6.011 390 HD21 LEU 49 3HD2 LEU 49 72.000 27.375 -9.497 391 HD22 LEU 49 1HD2 LEU 49 72.445 29.073 -9.666 392 HD23 LEU 49 2HD2 LEU 49 70.746 28.603 -9.680 393 H GLY 50 H GLY 50 68.581 29.604 -4.578 394 HA2 GLY 50 1HA GLY 50 66.804 29.068 -3.213 395 HA3 GLY 50 2HA GLY 50 65.949 28.500 -4.639 396 H THR 51 H THR 51 66.520 26.338 -5.446 397 HA THR 51 HA THR 51 67.927 24.542 -3.696 398 HB THR 51 HB THR 51 64.993 23.963 -4.057 399 HG1 THR 51 HG1 THR 51 66.206 25.080 -1.734 400 HG21 THR 51 3HG2 THR 51 65.372 22.398 -2.226 401 HG22 THR 51 1HG2 THR 51 67.053 22.916 -2.111 402 HG23 THR 51 2HG2 THR 51 66.486 22.074 -3.553 403 H GLY 52 H GLY 52 68.863 24.710 -5.998 404 HA2 GLY 52 1HA GLY 52 67.594 22.616 -7.654 405 HA3 GLY 52 2HA GLY 52 68.387 24.022 -8.351 406 H ARG 53 H ARG 53 70.550 23.988 -8.690 407 HA ARG 53 HA ARG 53 71.912 21.464 -8.079 408 HB2 ARG 53 1HB ARG 53 72.899 23.620 -9.939 409 HB3 ARG 53 2HB ARG 53 73.380 21.929 -9.883 410 HG2 ARG 53 1HG ARG 53 71.152 21.278 -10.666 411 HG3 ARG 53 2HG ARG 53 70.693 22.980 -10.746 412 HD2 ARG 53 1HD ARG 53 72.410 23.390 -12.411 413 HD3 ARG 53 2HD ARG 53 72.957 21.718 -12.289 414 HE ARG 53 HE ARG 53 70.203 21.856 -12.975 415 HH11 ARG 53 1HH1 ARG 53 73.410 22.221 -14.280 416 HH12 ARG 53 2HH1 ARG 53 72.940 21.811 -15.897 417 HH21 ARG 53 1HH2 ARG 53 69.572 21.314 -15.099 418 HH22 ARG 53 2HH2 ARG 53 70.756 21.296 -16.361 419 H TRP 54 H TRP 54 73.532 21.361 -6.660 420 HA TRP 54 HA TRP 54 74.196 23.621 -5.061 421 HB2 TRP 54 1HB TRP 54 75.945 21.993 -4.115 422 HB3 TRP 54 2HB TRP 54 74.248 21.557 -3.935 423 HD1 TRP 54 HD1 TRP 54 77.070 20.825 -6.514 424 HE1 TRP 54 HE1 TRP 54 76.853 18.364 -7.234 425 HE3 TRP 54 HE3 TRP 54 72.934 19.546 -3.795 426 HZ2 TRP 54 HZ2 TRP 54 75.154 16.170 -6.718 427 HZ3 TRP 54 HZ3 TRP 54 72.076 17.246 -3.965 428 HH2 TRP 54 HH2 TRP 54 73.164 15.595 -5.397 429 H ARG 55 H ARG 55 75.568 22.170 -7.891 430 HA ARG 55 HA ARG 55 78.211 23.019 -7.733 431 HB2 ARG 55 1HB ARG 55 78.172 22.966 -10.227 432 HB3 ARG 55 2HB ARG 55 77.524 21.514 -9.475 433 HG2 ARG 55 1HG ARG 55 75.231 22.664 -9.772 434 HG3 ARG 55 2HG ARG 55 76.081 23.687 -10.931 435 HD2 ARG 55 1HD ARG 55 75.134 21.898 -12.166 436 HD3 ARG 55 2HD ARG 55 76.864 21.578 -12.055 437 HE ARG 55 HE ARG 55 75.332 20.313 -9.983 438 HH11 ARG 55 1HH1 ARG 55 76.479 20.038 -13.258 439 HH12 ARG 55 2HH1 ARG 55 76.393 18.307 -13.281 440 HH21 ARG 55 1HH2 ARG 55 75.216 18.035 -10.000 441 HH22 ARG 55 2HH2 ARG 55 75.674 17.169 -11.428 442 H ASP 56 H ASP 56 75.360 24.735 -8.957 443 HA ASP 56 HA ASP 56 76.711 27.048 -9.827 444 HB2 ASP 56 1HB ASP 56 73.868 26.433 -9.095 445 HB3 ASP 56 2HB ASP 56 74.351 28.097 -9.414 446 H VAL 57 H VAL 57 75.688 25.978 -6.690 447 HA VAL 57 HA VAL 57 75.716 28.500 -5.386 448 HB VAL 57 HB VAL 57 76.170 25.772 -4.168 449 HG11 VAL 57 1HG1 VAL 57 76.750 27.908 -2.860 450 HG12 VAL 57 2HG1 VAL 57 75.006 28.168 -2.793 451 HG13 VAL 57 3HG1 VAL 57 75.709 26.713 -2.086 452 HG21 VAL 57 3HG2 VAL 57 73.569 27.276 -4.348 453 HG22 VAL 57 1HG2 VAL 57 74.054 26.047 -5.516 454 HG23 VAL 57 2HG2 VAL 57 73.829 25.613 -3.822 455 H LYS 58 H LYS 58 78.105 25.865 -5.551 456 HA LYS 58 HA LYS 58 80.097 27.189 -4.056 457 HB2 LYS 58 1HB LYS 58 80.082 24.754 -4.451 458 HB3 LYS 58 2HB LYS 58 80.417 25.035 -6.155 459 HG2 LYS 58 1HG LYS 58 82.439 26.410 -4.930 460 HG3 LYS 58 2HG LYS 58 82.220 25.020 -3.864 461 HD2 LYS 58 1HD LYS 58 82.728 23.495 -5.545 462 HD3 LYS 58 2HD LYS 58 82.380 24.651 -6.833 463 HE2 LYS 58 1HE LYS 58 84.636 25.105 -4.911 464 HE3 LYS 58 2HE LYS 58 84.840 24.064 -6.319 465 HZ1 LYS 58 3HZ LYS 58 85.494 26.085 -7.137 466 HZ2 LYS 58 1HZ LYS 58 84.389 26.964 -6.205 467 HZ3 LYS 58 2HZ LYS 58 83.857 26.105 -7.561 468 H PHE 59 H PHE 59 79.279 27.195 -7.465 469 HA PHE 59 HA PHE 59 81.655 28.578 -8.284 470 HB2 PHE 59 1HB PHE 59 79.044 27.951 -9.656 471 HB3 PHE 59 2HB PHE 59 80.303 28.908 -10.430 472 HD1 PHE 59 HD1 PHE 59 82.745 27.557 -9.646 473 HD2 PHE 59 HD2 PHE 59 78.973 25.926 -10.752 474 HE1 PHE 59 HE1 PHE 59 83.859 25.492 -10.387 475 HE2 PHE 59 HE2 PHE 59 80.081 23.858 -11.494 476 HZ PHE 59 HZ PHE 59 82.527 23.639 -11.312 477 H ARG 60 H ARG 60 78.271 29.494 -7.734 478 HA ARG 60 HA ARG 60 78.597 32.220 -8.426 479 HB2 ARG 60 1HB ARG 60 76.395 31.257 -8.432 480 HB3 ARG 60 2HB ARG 60 76.531 30.810 -6.737 481 HG2 ARG 60 1HG ARG 60 75.105 32.734 -6.961 482 HG3 ARG 60 2HG ARG 60 76.596 33.196 -6.137 483 HD2 ARG 60 1HD ARG 60 75.860 34.831 -7.853 484 HD3 ARG 60 2HD ARG 60 77.470 34.176 -8.146 485 HE ARG 60 HE ARG 60 75.562 32.641 -9.534 486 HH11 ARG 60 1HH1 ARG 60 77.068 35.779 -9.595 487 HH12 ARG 60 2HH1 ARG 60 76.892 35.975 -11.307 488 HH21 ARG 60 1HH2 ARG 60 75.324 32.887 -11.789 489 HH22 ARG 60 2HH2 ARG 60 75.898 34.330 -12.554 490 H ALA 61 H ALA 61 78.664 30.502 -5.326 491 HA ALA 61 HA ALA 61 78.846 32.631 -3.582 492 HB1 ALA 61 1HB ALA 61 80.402 30.070 -3.288 493 HB2 ALA 61 2HB ALA 61 79.819 31.131 -2.005 494 HB3 ALA 61 3HB ALA 61 78.672 30.209 -2.977 495 H PHE 62 H PHE 62 81.686 30.765 -4.672 496 HA PHE 62 HA PHE 62 83.188 33.021 -5.457 497 HB2 PHE 62 1HB PHE 62 83.183 32.426 -2.625 498 HB3 PHE 62 2HB PHE 62 84.803 32.265 -3.295 499 HD1 PHE 62 HD2 PHE 62 85.518 34.249 -4.889 500 HD2 PHE 62 HD1 PHE 62 82.510 34.489 -1.888 501 HE1 PHE 62 HE2 PHE 62 85.792 36.693 -4.816 502 HE2 PHE 62 HE1 PHE 62 82.778 36.934 -1.810 503 HZ PHE 62 HZ PHE 62 84.421 38.039 -3.274 504 H GLU 63 H GLU 63 83.746 31.745 -7.193 505 HA GLU 63 HA GLU 63 84.956 29.153 -6.794 506 HB2 GLU 63 1HB GLU 63 85.118 29.076 -9.228 507 HB3 GLU 63 2HB GLU 63 83.502 29.555 -8.728 508 HG2 GLU 63 1HG GLU 63 85.408 31.742 -9.253 509 HG3 GLU 63 2HG GLU 63 84.889 30.798 -10.648 510 H ASN 64 H ASN 64 86.477 30.843 -5.398 511 HA ASN 64 HA ASN 64 89.020 30.648 -6.730 512 HB2 ASN 64 1HB ASN 64 87.935 32.902 -7.409 513 HB3 ASN 64 2HB ASN 64 88.288 33.397 -5.756 514 HD21 ASN 64 2HD2 ASN 64 90.135 34.400 -5.493 515 HD22 ASN 64 1HD2 ASN 64 91.544 34.225 -6.478 516 H VAL 65 H VAL 65 87.198 31.868 -3.955 517 HA VAL 65 HA VAL 65 89.313 32.049 -2.130 518 HB VAL 65 HB VAL 65 87.668 32.033 -0.381 519 HG11 VAL 65 1HG1 VAL 65 87.748 34.045 -1.734 520 HG12 VAL 65 2HG1 VAL 65 86.574 33.361 -2.859 521 HG13 VAL 65 3HG1 VAL 65 86.095 33.736 -1.204 522 HG21 VAL 65 3HG2 VAL 65 86.086 30.514 -2.367 523 HG22 VAL 65 1HG2 VAL 65 86.187 30.332 -0.616 524 HG23 VAL 65 2HG2 VAL 65 85.196 31.613 -1.313 525 H HIS 66 H HIS 66 88.843 30.536 0.038 526 HA HIS 66 HA HIS 66 89.780 27.925 -0.825 527 HB2 HIS 66 1HB HIS 66 89.473 28.980 1.991 528 HB3 HIS 66 2HB HIS 66 90.399 27.570 1.485 529 HD1 HIS 66 HD1 HIS 66 90.577 31.260 1.770 530 HD2 HIS 66 HD2 HIS 66 92.853 28.169 0.181 531 HE1 HIS 66 HE1 HIS 66 92.837 32.260 1.304 532 H HIS 67 H HIS 67 87.235 28.095 -1.599 533 HA HIS 67 HA HIS 67 85.195 27.456 0.153 534 HB2 HIS 67 1HB HIS 67 84.189 26.227 -1.851 535 HB3 HIS 67 2HB HIS 67 84.588 27.927 -2.081 536 HD1 HIS 67 HD1 HIS 67 86.553 24.687 -2.528 537 HD2 HIS 67 HD2 HIS 67 85.698 28.235 -4.513 538 HE1 HIS 67 HE1 HIS 67 87.802 24.556 -4.707 539 H ARG 68 H ARG 68 84.043 25.254 0.175 540 HA ARG 68 HA ARG 68 86.047 23.202 0.835 541 HB2 ARG 68 1HB ARG 68 83.251 23.631 1.898 542 HB3 ARG 68 2HB ARG 68 84.247 22.234 2.282 543 HG2 ARG 68 1HG ARG 68 85.382 24.933 2.770 544 HG3 ARG 68 2HG ARG 68 84.132 24.337 3.864 545 HD2 ARG 68 1HD ARG 68 86.538 22.687 3.157 546 HD3 ARG 68 2HD ARG 68 86.574 23.865 4.468 547 HE ARG 68 HE ARG 68 84.356 22.113 4.729 548 HH11 ARG 68 1HH1 ARG 68 87.805 22.297 5.170 549 HH12 ARG 68 2HH1 ARG 68 87.841 21.093 6.415 550 HH21 ARG 68 1HH2 ARG 68 84.391 20.527 6.368 551 HH22 ARG 68 2HH2 ARG 68 85.899 20.086 7.095 552 H THR 69 H THR 69 82.564 23.017 0.159 553 HA THR 69 HA THR 69 82.951 21.610 -2.315 554 HB THR 69 HB THR 69 81.690 20.020 -0.083 555 HG1 THR 69 HG1 THR 69 83.613 19.266 0.424 556 HG21 THR 69 3HG2 THR 69 80.947 18.933 -1.919 557 HG22 THR 69 1HG2 THR 69 82.574 18.254 -1.941 558 HG23 THR 69 2HG2 THR 69 82.181 19.637 -2.962 559 H TYR 70 H TYR 70 80.951 21.127 -3.397 560 HA TYR 70 HA TYR 70 79.038 23.098 -3.276 561 HB2 TYR 70 1HB TYR 70 78.285 20.322 -4.139 562 HB3 TYR 70 2HB TYR 70 77.807 21.866 -4.836 563 HD1 TYR 70 HD2 TYR 70 79.590 23.222 -6.060 564 HD2 TYR 70 HD1 TYR 70 80.107 19.132 -5.008 565 HE1 TYR 70 HE2 TYR 70 81.377 23.023 -7.737 566 HE2 TYR 70 HE1 TYR 70 81.897 18.922 -6.682 567 HH TYR 70 HH TYR 70 83.546 20.526 -7.824 568 H VAL 71 H VAL 71 78.546 19.752 -2.131 569 HA VAL 71 HA VAL 71 76.113 20.190 -0.850 570 HB VAL 71 HB VAL 71 77.061 17.949 -1.323 571 HG11 VAL 71 1HG1 VAL 71 79.359 18.391 -0.604 572 HG12 VAL 71 2HG1 VAL 71 78.813 18.504 1.070 573 HG13 VAL 71 3HG1 VAL 71 78.691 16.973 0.203 574 HG21 VAL 71 3HG2 VAL 71 75.509 17.257 0.108 575 HG22 VAL 71 1HG2 VAL 71 76.649 17.452 1.439 576 HG23 VAL 71 2HG2 VAL 71 75.605 18.793 0.968 577 H ASP 72 H ASP 72 79.390 20.752 0.242 578 HA ASP 72 HA ASP 72 78.954 20.999 2.987 579 HB2 ASP 72 1HB ASP 72 81.097 21.391 1.233 580 HB3 ASP 72 2HB ASP 72 80.871 22.949 2.022 581 H LEU 73 H LEU 73 78.724 23.435 0.417 582 HA LEU 73 HA LEU 73 78.056 25.582 2.149 583 HB2 LEU 73 1HB LEU 73 77.263 25.431 -0.738 584 HB3 LEU 73 2HB LEU 73 77.684 26.851 0.217 585 HG LEU 73 HG LEU 73 79.512 24.792 -0.983 586 HD11 LEU 73 1HD1 LEU 73 79.479 27.803 -1.115 587 HD12 LEU 73 2HD1 LEU 73 78.827 26.724 -2.348 588 HD13 LEU 73 3HD1 LEU 73 80.555 26.719 -1.997 589 HD21 LEU 73 3HD2 LEU 73 81.184 26.514 0.285 590 HD22 LEU 73 1HD2 LEU 73 80.723 24.928 0.903 591 HD23 LEU 73 2HD2 LEU 73 79.879 26.371 1.464 592 H LYS 74 H LYS 74 76.083 23.550 -0.009 593 HA LYS 74 HA LYS 74 73.600 24.662 0.555 594 HB2 LYS 74 1HB LYS 74 74.295 22.845 -1.171 595 HB3 LYS 74 2HB LYS 74 73.930 21.709 0.121 596 HG2 LYS 74 1HG LYS 74 71.656 22.404 0.198 597 HG3 LYS 74 2HG LYS 74 71.975 23.762 -0.884 598 HD2 LYS 74 1HD LYS 74 72.467 22.237 -2.703 599 HD3 LYS 74 2HD LYS 74 72.268 20.851 -1.628 600 HE2 LYS 74 1HE LYS 74 70.084 22.849 -2.185 601 HE3 LYS 74 2HE LYS 74 70.303 21.368 -3.116 602 HZ1 LYS 74 3HZ LYS 74 68.977 21.696 -0.676 603 HZ2 LYS 74 1HZ LYS 74 70.323 20.711 -0.395 604 HZ3 LYS 74 2HZ LYS 74 69.187 20.275 -1.569 605 H ASP 75 H ASP 75 75.250 21.956 2.163 606 HA ASP 75 HA ASP 75 73.213 21.433 4.042 607 HB2 ASP 75 1HB ASP 75 75.392 20.085 3.355 608 HB3 ASP 75 2HB ASP 75 76.069 20.929 4.745 609 H LYS 76 H LYS 76 75.991 23.593 4.078 610 HA LYS 76 HA LYS 76 75.971 24.301 6.779 611 HB2 LYS 76 1HB LYS 76 77.724 24.884 5.053 612 HB3 LYS 76 2HB LYS 76 76.647 26.158 4.496 613 HG2 LYS 76 1HG LYS 76 78.025 27.311 5.919 614 HG3 LYS 76 2HG LYS 76 76.686 26.900 6.994 615 HD2 LYS 76 1HD LYS 76 78.447 26.258 8.303 616 HD3 LYS 76 2HD LYS 76 78.160 24.751 7.431 617 HE2 LYS 76 1HE LYS 76 79.923 25.297 5.857 618 HE3 LYS 76 2HE LYS 76 80.172 26.856 6.641 619 HZ1 LYS 76 3HZ LYS 76 81.375 24.430 7.263 620 HZ2 LYS 76 1HZ LYS 76 80.354 24.802 8.559 621 HZ3 LYS 76 2HZ LYS 76 81.542 25.904 8.076 622 H TRP 77 H TRP 77 74.224 25.706 4.032 623 HA TRP 77 HA TRP 77 72.995 27.789 5.499 624 HB2 TRP 77 1HB TRP 77 73.050 28.060 3.154 625 HB3 TRP 77 2HB TRP 77 72.365 26.463 2.870 626 HD1 TRP 77 HD1 TRP 77 71.326 29.989 4.009 627 HE1 TRP 77 HE1 TRP 77 68.792 30.246 3.636 628 HE3 TRP 77 HE3 TRP 77 70.222 25.197 2.612 629 HZ2 TRP 77 HZ2 TRP 77 66.613 28.630 2.854 630 HZ3 TRP 77 HZ3 TRP 77 67.889 24.635 2.069 631 HH2 TRP 77 HH2 TRP 77 66.123 26.317 2.189 632 H LYS 78 H LYS 78 71.809 24.595 4.475 633 HA LYS 78 HA LYS 78 69.245 24.716 5.491 634 HB2 LYS 78 1HB LYS 78 69.919 22.856 4.132 635 HB3 LYS 78 2HB LYS 78 71.144 22.377 5.300 636 HG2 LYS 78 1HG LYS 78 69.227 20.902 5.411 637 HG3 LYS 78 2HG LYS 78 69.392 21.818 6.911 638 HD2 LYS 78 1HD LYS 78 67.616 23.292 6.288 639 HD3 LYS 78 2HD LYS 78 67.555 22.618 4.658 640 HE2 LYS 78 1HE LYS 78 66.871 21.176 7.218 641 HE3 LYS 78 2HE LYS 78 65.725 21.762 6.013 642 HZ1 LYS 78 3HZ LYS 78 66.972 20.268 4.406 643 HZ2 LYS 78 1HZ LYS 78 65.988 19.505 5.552 644 HZ3 LYS 78 2HZ LYS 78 67.665 19.545 5.770 645 H THR 79 H THR 79 72.227 23.768 7.159 646 HA THR 79 HA THR 79 71.033 23.095 9.620 647 HB THR 79 HB THR 79 73.811 24.228 9.411 648 HG1 THR 79 HG1 THR 79 72.820 21.754 8.453 649 HG21 THR 79 3HG2 THR 79 74.202 22.343 11.070 650 HG22 THR 79 1HG2 THR 79 72.449 22.178 11.146 651 HG23 THR 79 2HG2 THR 79 73.214 23.690 11.636 652 H LEU 80 H LEU 80 72.659 26.092 8.582 653 HA LEU 80 HA LEU 80 72.267 27.545 10.932 654 HB2 LEU 80 1HB LEU 80 73.232 29.227 9.817 655 HB3 LEU 80 2HB LEU 80 73.499 28.013 8.567 656 HG LEU 80 HG LEU 80 71.182 28.844 7.678 657 HD11 LEU 80 1HD1 LEU 80 71.511 31.514 8.213 658 HD12 LEU 80 2HD1 LEU 80 71.815 30.761 9.778 659 HD13 LEU 80 3HD1 LEU 80 70.296 30.460 8.935 660 HD21 LEU 80 3HD2 LEU 80 73.678 29.153 6.840 661 HD22 LEU 80 1HD2 LEU 80 73.340 30.836 7.245 662 HD23 LEU 80 2HD2 LEU 80 72.326 29.990 6.076 663 H VAL 81 H VAL 81 70.114 26.886 8.263 664 HA VAL 81 HA VAL 81 68.179 28.877 8.844 665 HB VAL 81 HB VAL 81 67.950 26.263 7.352 666 HG11 VAL 81 1HG1 VAL 81 65.918 28.398 7.892 667 HG12 VAL 81 2HG1 VAL 81 65.840 27.419 6.426 668 HG13 VAL 81 3HG1 VAL 81 65.750 26.647 8.010 669 HG21 VAL 81 3HG2 VAL 81 69.160 28.666 6.667 670 HG22 VAL 81 1HG2 VAL 81 68.698 27.367 5.568 671 HG23 VAL 81 2HG2 VAL 81 67.597 28.715 5.851 672 H HIS 82 H HIS 82 68.394 25.425 9.669 673 HA HIS 82 HA HIS 82 65.973 25.250 11.071 674 HB2 HIS 82 1HB HIS 82 67.394 23.321 10.300 675 HB3 HIS 82 2HB HIS 82 68.477 23.659 11.647 676 HD1 HIS 82 HD1 HIS 82 64.693 23.649 11.783 677 HD2 HIS 82 HD2 HIS 82 67.939 21.497 13.228 678 HE1 HIS 82 HE1 HIS 82 63.730 21.994 13.413 679 H THR 83 H THR 83 69.227 26.116 12.136 680 HA THR 83 HA THR 83 68.564 26.280 14.904 681 HB THR 83 HB THR 83 70.880 27.540 13.420 682 HG1 THR 83 HG1 THR 83 70.451 25.059 13.641 683 HG21 THR 83 3HG2 THR 83 70.469 28.578 15.605 684 HG22 THR 83 1HG2 THR 83 71.961 27.639 15.611 685 HG23 THR 83 2HG2 THR 83 70.507 26.989 16.367 686 H ALA 84 H ALA 84 68.448 28.499 12.213 687 HA ALA 84 HA ALA 84 68.034 30.819 13.895 688 HB1 ALA 84 1HB ALA 84 67.684 30.632 10.910 689 HB2 ALA 84 2HB ALA 84 67.945 32.082 11.880 690 HB3 ALA 84 3HB ALA 84 69.240 30.898 11.698 691 H SER 85 H SER 85 66.132 28.292 12.836 692 HA SER 85 HA SER 85 63.684 29.916 12.786 693 HB2 SER 85 1HB SER 85 62.664 28.258 11.522 694 HB3 SER 85 2HB SER 85 64.332 28.139 10.963 695 HG SER 85 HG SER 85 62.898 26.433 12.674 696 H ILE 86 H ILE 86 65.274 27.259 14.441 697 HA ILE 86 HA ILE 86 63.189 26.336 16.028 698 HB ILE 86 HB ILE 86 64.965 25.683 17.674 699 HG12 ILE 86 1HG1 ILE 86 66.840 26.906 15.640 700 HG13 ILE 86 2HG1 ILE 86 66.450 27.638 17.193 701 HG21 ILE 86 1HG2 ILE 86 64.503 24.773 15.042 702 HG22 ILE 86 2HG2 ILE 86 66.237 24.659 15.337 703 HG23 ILE 86 3HG2 ILE 86 65.104 23.856 16.423 704 HD11 ILE 86 3HD1 ILE 86 67.519 24.860 17.114 705 HD12 ILE 86 1HD1 ILE 86 68.614 26.227 16.904 706 HD13 ILE 86 2HD1 ILE 86 67.653 26.085 18.376 707 H ALA 87 H ALA 87 63.410 26.593 18.579 708 HA ALA 87 HA ALA 87 62.321 29.036 19.272 709 HB1 ALA 87 1HB ALA 87 63.507 26.782 20.784 710 HB2 ALA 87 2HB ALA 87 63.276 28.303 21.647 711 HB3 ALA 87 3HB ALA 87 61.900 27.501 20.890 712 HA PRO 88 HA PRO 88 65.573 31.944 19.738 713 HB2 PRO 88 1HB PRO 88 64.840 33.288 21.980 714 HB3 PRO 88 2HB PRO 88 63.992 33.457 20.439 715 HG2 PRO 88 1HG PRO 88 63.272 31.799 22.824 716 HG3 PRO 88 2HG PRO 88 62.227 32.802 21.803 717 HD2 PRO 88 1HD PRO 88 62.377 30.112 21.534 718 HD3 PRO 88 2HD PRO 88 62.076 31.194 20.159 719 H GLN 89 H GLN 89 64.737 30.344 22.807 720 HA GLN 89 HA GLN 89 67.175 30.857 24.111 721 HB2 GLN 89 1HB GLN 89 66.494 29.197 25.716 722 HB3 GLN 89 2HB GLN 89 65.080 30.127 25.238 723 HG2 GLN 89 1HG GLN 89 64.347 28.344 23.788 724 HG3 GLN 89 2HG GLN 89 65.809 27.422 24.138 725 HE21 GLN 89 2HE2 GLN 89 62.634 27.674 24.837 726 HE22 GLN 89 1HE2 GLN 89 62.611 26.944 26.402 727 H GLN 90 H GLN 90 66.248 28.480 21.762 728 HA GLN 90 HA GLN 90 68.624 26.867 22.234 729 HB2 GLN 90 1HB GLN 90 66.312 26.598 20.314 730 HB3 GLN 90 2HB GLN 90 67.700 25.518 20.300 731 HG2 GLN 90 1HG GLN 90 65.922 25.949 22.687 732 HG3 GLN 90 2HG GLN 90 65.722 24.643 21.520 733 HE21 GLN 90 2HE2 GLN 90 67.584 23.196 21.234 734 HE22 GLN 90 1HE2 GLN 90 68.555 22.826 22.614 735 H ARG 91 H ARG 91 67.538 29.412 20.186 736 HA ARG 91 HA ARG 91 69.385 28.958 18.048 737 HB2 ARG 91 1HB ARG 91 67.306 30.215 17.707 738 HB3 ARG 91 2HB ARG 91 67.865 31.455 18.821 739 HG2 ARG 91 1HG ARG 91 69.887 31.611 17.175 740 HG3 ARG 91 2HG ARG 91 68.760 30.859 16.044 741 HD2 ARG 91 1HD ARG 91 67.992 33.279 17.642 742 HD3 ARG 91 2HD ARG 91 68.880 33.426 16.126 743 HE ARG 91 HE ARG 91 66.684 31.797 15.637 744 HH11 ARG 91 1HH1 ARG 91 67.318 35.085 16.592 745 HH12 ARG 91 2HH1 ARG 91 65.872 35.710 15.870 746 HH21 ARG 91 1HH2 ARG 91 64.778 32.609 14.683 747 HH22 ARG 91 2HH2 ARG 91 64.428 34.301 14.786 748 H ARG 92 H ARG 92 71.263 28.632 19.509 749 HA ARG 92 HA ARG 92 72.475 31.199 20.300 750 HB2 ARG 92 1HB ARG 92 73.928 29.801 21.799 751 HB3 ARG 92 2HB ARG 92 72.224 29.818 22.232 752 HG2 ARG 92 1HG ARG 92 71.931 27.639 21.161 753 HG3 ARG 92 2HG ARG 92 73.646 27.622 20.742 754 HD2 ARG 92 1HD ARG 92 73.166 26.296 22.755 755 HD3 ARG 92 2HD ARG 92 74.249 27.647 23.088 756 HE ARG 92 HE ARG 92 71.608 28.454 23.585 757 HH11 ARG 92 1HH1 ARG 92 74.042 26.322 24.870 758 HH12 ARG 92 2HH1 ARG 92 73.455 26.421 26.497 759 HH21 ARG 92 1HH2 ARG 92 70.827 28.593 25.723 760 HH22 ARG 92 2HH2 ARG 92 71.626 27.713 26.982 761 H GLY 93 H GLY 93 72.842 31.063 17.803 762 HA2 GLY 93 1HA GLY 93 75.131 29.402 17.091 763 HA3 GLY 93 2HA GLY 93 74.203 30.421 16.000 764 H ALA 94 H ALA 94 76.554 30.830 15.358 765 HA ALA 94 HA ALA 94 78.349 32.264 16.900 766 HB1 ALA 94 1HB ALA 94 78.386 33.236 14.195 767 HB2 ALA 94 2HB ALA 94 79.545 32.200 15.030 768 HB3 ALA 94 3HB ALA 94 78.149 31.488 14.220 769 HA PRO 95 HA PRO 95 76.783 36.328 17.437 770 HB2 PRO 95 1HB PRO 95 78.997 37.860 17.087 771 HB3 PRO 95 2HB PRO 95 78.749 36.842 18.511 772 HG2 PRO 95 1HG PRO 95 80.381 36.305 16.059 773 HG3 PRO 95 2HG PRO 95 80.782 36.000 17.759 774 HD2 PRO 95 1HD PRO 95 79.914 34.049 16.093 775 HD3 PRO 95 2HD PRO 95 79.548 34.054 17.831 776 H VAL 96 H VAL 96 75.538 36.044 15.366 777 HA VAL 96 HA VAL 96 76.524 37.929 13.324 778 HB VAL 96 HB VAL 96 74.948 36.615 11.761 779 HG11 VAL 96 1HG1 VAL 96 77.468 35.262 12.718 780 HG12 VAL 96 2HG1 VAL 96 76.724 35.114 11.125 781 HG13 VAL 96 3HG1 VAL 96 77.422 36.652 11.635 782 HG21 VAL 96 3HG2 VAL 96 75.481 34.392 13.714 783 HG22 VAL 96 1HG2 VAL 96 73.981 35.320 13.722 784 HG23 VAL 96 2HG2 VAL 96 74.429 34.380 12.299 785 HA PRO 97 HA PRO 97 72.888 40.324 13.882 786 HB2 PRO 97 1HB PRO 97 72.420 41.200 11.355 787 HB3 PRO 97 2HB PRO 97 73.758 41.795 12.346 788 HG2 PRO 97 1HG PRO 97 73.778 39.727 10.181 789 HG3 PRO 97 2HG PRO 97 74.935 41.035 10.490 790 HD2 PRO 97 1HD PRO 97 75.403 38.472 11.228 791 HD3 PRO 97 2HD PRO 97 76.014 39.859 12.153 792 H GLN 98 H GLN 98 70.627 40.416 13.500 793 HA GLN 98 HA GLN 98 69.388 37.935 13.060 794 HB2 GLN 98 1HB GLN 98 68.305 40.745 13.190 795 HB3 GLN 98 2HB GLN 98 67.263 39.346 12.970 796 HG2 GLN 98 1HG GLN 98 68.506 38.471 15.102 797 HG3 GLN 98 2HG GLN 98 68.836 40.185 15.350 798 HE21 GLN 98 2HE2 GLN 98 66.893 41.620 15.188 799 HE22 GLN 98 1HE2 GLN 98 65.427 41.045 15.898 800 H GLU 99 H GLU 99 70.210 40.530 10.905 801 HA GLU 99 HA GLU 99 68.467 40.169 8.803 802 HB2 GLU 99 1HB GLU 99 70.323 40.971 7.340 803 HB3 GLU 99 2HB GLU 99 70.059 41.966 8.765 804 HG2 GLU 99 1HG GLU 99 71.930 40.242 9.686 805 HG3 GLU 99 2HG GLU 99 72.382 40.356 7.987 806 H LEU 100 H LEU 100 71.454 38.383 9.487 807 HA LEU 100 HA LEU 100 71.532 36.794 7.207 808 HB2 LEU 100 1HB LEU 100 72.341 35.983 9.994 809 HB3 LEU 100 2HB LEU 100 72.904 35.263 8.487 810 HG LEU 100 HG LEU 100 73.651 37.875 9.737 811 HD11 LEU 100 1HD1 LEU 100 74.881 35.539 9.825 812 HD12 LEU 100 2HD1 LEU 100 75.776 37.053 9.702 813 HD13 LEU 100 3HD1 LEU 100 75.496 36.075 8.262 814 HD21 LEU 100 3HD2 LEU 100 72.966 38.518 7.520 815 HD22 LEU 100 1HD2 LEU 100 73.873 37.181 6.811 816 HD23 LEU 100 2HD2 LEU 100 74.728 38.508 7.599 817 H LEU 101 H LEU 101 69.818 36.290 10.261 818 HA LEU 101 HA LEU 101 68.791 33.726 9.510 819 HB2 LEU 101 1HB LEU 101 67.891 35.623 11.673 820 HB3 LEU 101 2HB LEU 101 67.397 33.939 11.513 821 HG LEU 101 HG LEU 101 69.009 33.587 13.036 822 HD11 LEU 101 1HD1 LEU 101 71.038 32.872 12.104 823 HD12 LEU 101 2HD1 LEU 101 70.967 34.070 10.812 824 HD13 LEU 101 3HD1 LEU 101 69.858 32.699 10.804 825 HD21 LEU 101 3HD2 LEU 101 69.988 36.264 12.175 826 HD22 LEU 101 1HD2 LEU 101 71.082 35.205 13.065 827 HD23 LEU 101 2HD2 LEU 101 69.543 35.684 13.781 828 H ASP 102 H ASP 102 67.788 37.015 9.088 829 HA ASP 102 HA ASP 102 65.041 36.430 8.517 830 HB2 ASP 102 1HB ASP 102 66.038 38.665 9.315 831 HB3 ASP 102 2HB ASP 102 66.504 38.909 7.634 832 H ARG 103 H ARG 103 67.979 36.859 6.629 833 HA ARG 103 HA ARG 103 66.655 36.825 4.094 834 HB2 ARG 103 1HB ARG 103 68.940 36.576 3.171 835 HB3 ARG 103 2HB ARG 103 68.807 37.913 4.306 836 HG2 ARG 103 1HG ARG 103 69.820 36.534 6.051 837 HG3 ARG 103 2HG ARG 103 69.959 35.197 4.908 838 HD2 ARG 103 1HD ARG 103 72.057 36.516 5.221 839 HD3 ARG 103 2HD ARG 103 71.495 36.419 3.552 840 HE ARG 103 HE ARG 103 70.600 38.762 4.972 841 HH11 ARG 103 1HH1 ARG 103 73.110 37.363 3.007 842 HH12 ARG 103 2HH1 ARG 103 73.696 38.891 2.437 843 HH21 ARG 103 1HH2 ARG 103 71.361 40.779 4.229 844 HH22 ARG 103 2HH2 ARG 103 72.700 40.833 3.133 845 H VAL 104 H VAL 104 68.355 34.430 6.065 846 HA VAL 104 HA VAL 104 68.197 32.328 4.159 847 HB VAL 104 HB VAL 104 68.834 30.841 5.974 848 HG11 VAL 104 1HG1 VAL 104 70.877 31.609 5.560 849 HG12 VAL 104 2HG1 VAL 104 70.254 33.229 5.242 850 HG13 VAL 104 3HG1 VAL 104 70.668 32.750 6.888 851 HG21 VAL 104 3HG2 VAL 104 68.027 33.163 7.682 852 HG22 VAL 104 1HG2 VAL 104 67.597 31.459 7.835 853 HG23 VAL 104 2HG2 VAL 104 69.220 32.000 8.260 854 H LEU 105 H LEU 105 66.180 33.309 6.890 855 HA LEU 105 HA LEU 105 64.420 31.077 6.741 856 HB2 LEU 105 1HB LEU 105 64.262 33.770 8.055 857 HB3 LEU 105 2HB LEU 105 62.904 32.647 8.090 858 HG LEU 105 HG LEU 105 65.650 32.073 9.201 859 HD11 LEU 105 1HD1 LEU 105 64.124 32.119 11.360 860 HD12 LEU 105 2HD1 LEU 105 63.199 33.259 10.384 861 HD13 LEU 105 3HD1 LEU 105 64.897 33.576 10.737 862 HD21 LEU 105 3HD2 LEU 105 64.990 29.957 9.260 863 HD22 LEU 105 1HD2 LEU 105 63.436 30.392 8.547 864 HD23 LEU 105 2HD2 LEU 105 63.642 30.424 10.298 865 H ALA 106 H ALA 106 64.085 34.474 5.720 866 HA ALA 106 HA ALA 106 61.562 34.299 4.573 867 HB1 ALA 106 1HB ALA 106 62.350 36.232 3.134 868 HB2 ALA 106 2HB ALA 106 62.479 36.447 4.880 869 HB3 ALA 106 3HB ALA 106 63.914 36.057 3.932 870 H ALA 107 H ALA 107 64.736 33.847 3.026 871 HA ALA 107 HA ALA 107 63.777 33.294 0.447 872 HB1 ALA 107 1HB ALA 107 66.042 33.801 0.556 873 HB2 ALA 107 2HB ALA 107 66.335 32.664 1.873 874 HB3 ALA 107 3HB ALA 107 66.035 32.065 0.242 875 H GLN 108 H GLN 108 64.530 31.142 3.163 876 HA GLN 108 HA GLN 108 64.200 28.692 1.916 877 HB2 GLN 108 1HB GLN 108 64.990 29.117 4.276 878 HB3 GLN 108 2HB GLN 108 63.302 29.312 4.730 879 HG2 GLN 108 1HG GLN 108 64.339 26.829 3.400 880 HG3 GLN 108 2HG GLN 108 64.344 27.049 5.149 881 HE21 GLN 108 2HE2 GLN 108 62.835 25.307 3.124 882 HE22 GLN 108 1HE2 GLN 108 61.191 25.433 3.638 883 H ALA 109 H ALA 109 61.743 30.737 3.462 884 HA ALA 109 HA ALA 109 59.587 28.958 2.881 885 HB1 ALA 109 1HB ALA 109 58.266 30.410 4.029 886 HB2 ALA 109 2HB ALA 109 59.837 30.924 4.647 887 HB3 ALA 109 3HB ALA 109 59.056 31.837 3.356 888 H TYR 110 H TYR 110 60.909 31.851 1.348 889 HA TYR 110 HA TYR 110 58.919 32.342 -0.524 890 HB2 TYR 110 1HB TYR 110 61.851 32.878 -0.405 891 HB3 TYR 110 2HB TYR 110 61.025 33.119 -1.940 892 HD1 TYR 110 HD2 TYR 110 58.476 34.250 -1.232 893 HD2 TYR 110 HD1 TYR 110 62.286 34.944 0.532 894 HE1 TYR 110 HE2 TYR 110 57.718 36.465 -0.480 895 HE2 TYR 110 HE1 TYR 110 61.537 37.161 1.290 896 HH TYR 110 HH TYR 110 59.861 38.828 0.735 897 H TRP 111 H TRP 111 61.682 30.137 -0.701 898 HA TRP 111 HA TRP 111 60.894 29.216 -3.338 899 HB2 TRP 111 1HB TRP 111 63.093 28.179 -1.538 900 HB3 TRP 111 2HB TRP 111 62.889 27.836 -3.254 901 HD1 TRP 111 HD1 TRP 111 65.139 29.691 -1.303 902 HE1 TRP 111 HE1 TRP 111 66.018 31.804 -2.481 903 HE3 TRP 111 HE3 TRP 111 61.610 30.098 -4.980 904 HZ2 TRP 111 HZ2 TRP 111 65.310 33.428 -4.678 905 HZ3 TRP 111 HZ3 TRP 111 61.783 31.960 -6.579 906 HH2 TRP 111 HH2 TRP 111 63.595 33.590 -6.430 907 H SER 112 H SER 112 60.327 28.388 -0.071 908 HA SER 112 HA SER 112 59.973 25.624 -0.211 909 HB2 SER 112 1HB SER 112 59.984 26.758 1.926 910 HB3 SER 112 2HB SER 112 58.545 27.680 1.491 911 HG SER 112 HG SER 112 57.451 26.086 2.286 912 H VAL 113 H VAL 113 57.209 27.832 0.072 913 HA VAL 113 HA VAL 113 55.833 26.249 -2.000 914 HB VAL 113 HB VAL 113 54.589 27.451 0.477 915 HG11 VAL 113 1HG1 VAL 113 53.475 26.300 -2.007 916 HG12 VAL 113 2HG1 VAL 113 52.709 25.811 -0.494 917 HG13 VAL 113 3HG1 VAL 113 52.809 27.520 -0.921 918 HG21 VAL 113 3HG2 VAL 113 54.853 24.536 -0.226 919 HG22 VAL 113 1HG2 VAL 113 56.013 25.392 0.791 920 HG23 VAL 113 2HG2 VAL 113 54.332 25.243 1.303 921 H ASP 114 H ASP 114 55.134 29.234 -0.184 922 HA ASP 114 HA ASP 114 54.912 30.647 -2.758 923 HB2 ASP 114 1HB ASP 114 52.663 30.295 -2.017 924 HB3 ASP 114 2HB ASP 114 53.062 30.797 -0.376 925 H SER 115 H SER 115 54.649 31.606 0.660 926 HA SER 115 HA SER 115 57.168 32.903 0.749 927 HB2 SER 115 1HB SER 115 56.245 35.255 0.908 928 HB3 SER 115 2HB SER 115 56.226 34.551 -0.709 929 HG SER 115 HG SER 115 53.974 33.899 -0.071 930 H SER 116 H SER 116 57.128 34.567 2.691 931 HA SER 116 HA SER 116 55.529 33.331 4.836 932 HB2 SER 116 1HB SER 116 57.685 32.713 5.418 933 HB3 SER 116 2HB SER 116 58.399 34.174 4.737 934 HG SER 116 HG SER 116 57.960 33.775 7.224 935 H GLY 117 H GLY 117 54.085 34.643 5.722 936 HA2 GLY 117 1HA GLY 117 54.336 36.997 6.945 937 HA3 GLY 117 2HA GLY 117 54.273 37.513 5.266 938 H ARG 118 H ARG 118 52.335 37.904 4.416 939 HA ARG 118 HA ARG 118 50.079 38.036 4.160 940 HB2 ARG 118 1HB ARG 118 50.445 35.485 4.107 941 HB3 ARG 118 2HB ARG 118 49.815 35.496 5.749 942 HG2 ARG 118 1HG ARG 118 47.828 36.798 4.698 943 HG3 ARG 118 2HG ARG 118 48.421 36.110 3.185 944 HD2 ARG 118 1HD ARG 118 48.059 34.312 5.530 945 HD3 ARG 118 2HD ARG 118 46.629 34.856 4.654 946 HE ARG 118 HE ARG 118 48.486 32.890 3.807 947 HH11 ARG 118 1HH1 ARG 118 46.486 35.481 2.622 948 HH12 ARG 118 2HH1 ARG 118 46.318 34.801 1.037 949 HH21 ARG 118 1HH2 ARG 118 48.272 31.984 1.725 950 HH22 ARG 118 2HH2 ARG 118 47.333 32.812 0.528 951 H ILE 119 H ILE 119 51.168 39.464 6.270 952 HA ILE 119 HA ILE 119 49.017 39.302 8.278 953 HB ILE 119 HB ILE 119 50.662 40.385 9.864 954 HG12 ILE 119 1HG1 ILE 119 52.635 39.455 7.766 955 HG13 ILE 119 2HG1 ILE 119 52.289 41.130 8.181 956 HG21 ILE 119 1HG2 ILE 119 51.631 37.677 9.035 957 HG22 ILE 119 2HG2 ILE 119 51.407 38.334 10.655 958 HG23 ILE 119 3HG2 ILE 119 50.005 37.893 9.681 959 HD11 ILE 119 3HD1 ILE 119 53.040 40.507 10.539 960 HD12 ILE 119 1HD1 ILE 119 53.713 39.054 9.799 961 HD13 ILE 119 2HD1 ILE 119 54.276 40.647 9.289 962 H VAL 120 H VAL 120 51.121 41.361 6.361 963 HA VAL 120 HA VAL 120 49.870 43.795 7.304 964 HB VAL 120 HB VAL 120 51.310 44.925 5.641 965 HG11 VAL 120 1HG1 VAL 120 52.280 43.205 7.813 966 HG12 VAL 120 2HG1 VAL 120 53.521 43.737 6.676 967 HG13 VAL 120 3HG1 VAL 120 52.534 44.926 7.526 968 HG21 VAL 120 3HG2 VAL 120 52.862 43.733 4.287 969 HG22 VAL 120 1HG2 VAL 120 52.457 42.201 5.061 970 HG23 VAL 120 2HG2 VAL 120 51.280 43.002 4.019 971 H THR 121 H THR 121 48.510 45.126 6.139 972 HA THR 121 HA THR 121 47.582 44.216 3.518 973 HB THR 121 HB THR 121 45.523 44.999 5.554 974 HG1 THR 121 HG1 THR 121 45.541 43.050 6.428 975 HG21 THR 121 3HG2 THR 121 44.548 43.034 3.859 976 HG22 THR 121 1HG2 THR 121 45.583 44.015 2.822 977 HG23 THR 121 2HG2 THR 121 44.265 44.769 3.719 978 H LEU 122 H LEU 122 48.854 46.138 2.952 979 HA LEU 122 HA LEU 122 48.301 48.725 3.820 980 HB2 LEU 122 1HB LEU 122 49.422 47.585 1.295 981 HB3 LEU 122 2HB LEU 122 49.097 49.313 1.409 982 HG LEU 122 HG LEU 122 50.819 47.925 3.436 983 HD11 LEU 122 1HD1 LEU 122 52.150 49.334 1.219 984 HD12 LEU 122 2HD1 LEU 122 51.456 47.762 0.826 985 HD13 LEU 122 3HD1 LEU 122 52.646 47.901 2.120 986 HD21 LEU 122 3HD2 LEU 122 50.315 50.736 2.549 987 HD22 LEU 122 1HD2 LEU 122 51.841 50.306 3.320 988 HD23 LEU 122 2HD2 LEU 122 50.320 50.058 4.178 Start of MODEL 2 1 H1 GLY 1 H GLY 1 53.270 56.871 62.755 2 HA2 GLY 1 1HA GLY 1 54.284 58.002 60.741 3 HA3 GLY 1 2HA GLY 1 53.828 56.329 60.457 4 H SER 2 H SER 2 54.056 58.339 58.459 5 HA SER 2 HA SER 2 51.730 57.894 56.986 6 HB2 SER 2 1HB SER 2 50.318 59.372 57.954 7 HB3 SER 2 2HB SER 2 51.627 60.226 58.771 8 HG SER 2 HG SER 2 50.708 61.590 57.252 9 HA PRO 3 HA PRO 3 54.345 61.268 54.737 10 HB2 PRO 3 1HB PRO 3 56.347 62.449 56.140 11 HB3 PRO 3 2HB PRO 3 54.695 63.075 56.113 12 HG2 PRO 3 1HG PRO 3 56.051 61.397 58.189 13 HG3 PRO 3 2HG PRO 3 54.986 62.799 58.403 14 HD2 PRO 3 1HD PRO 3 54.119 60.251 58.701 15 HD3 PRO 3 2HD PRO 3 53.073 61.551 58.094 16 H PHE 4 H PHE 4 55.151 59.492 53.619 17 HA PHE 4 HA PHE 4 57.621 58.260 54.589 18 HB2 PHE 4 1HB PHE 4 55.496 57.478 52.660 19 HB3 PHE 4 2HB PHE 4 57.125 56.886 52.349 20 HD1 PHE 4 HD1 PHE 4 58.319 55.872 54.497 21 HD2 PHE 4 HD2 PHE 4 54.111 56.175 53.936 22 HE1 PHE 4 HE1 PHE 4 57.975 54.064 56.129 23 HE2 PHE 4 HE2 PHE 4 53.760 54.368 55.568 24 HZ PHE 4 HZ PHE 4 55.693 53.310 56.668 25 H ALA 5 H ALA 5 59.403 59.348 54.059 26 HA ALA 5 HA ALA 5 59.656 60.323 51.289 27 HB1 ALA 5 1HB ALA 5 59.750 62.347 52.270 28 HB2 ALA 5 2HB ALA 5 60.181 61.680 53.846 29 HB3 ALA 5 3HB ALA 5 61.419 61.886 52.607 30 H ASP 6 H ASP 6 61.489 59.814 50.195 31 HA ASP 6 HA ASP 6 63.435 58.115 51.611 32 HB2 ASP 6 1HB ASP 6 63.926 57.422 49.105 33 HB3 ASP 6 2HB ASP 6 62.602 56.691 50.008 34 HA PRO 7 HA PRO 7 66.729 60.865 50.706 35 HB2 PRO 7 1HB PRO 7 68.757 59.167 50.096 36 HB3 PRO 7 2HB PRO 7 68.135 59.370 51.738 37 HG2 PRO 7 1HG PRO 7 67.537 57.225 49.737 38 HG3 PRO 7 2HG PRO 7 67.848 57.077 51.476 39 HD2 PRO 7 1HD PRO 7 65.350 57.015 50.434 40 HD3 PRO 7 2HD PRO 7 65.698 57.683 52.041 41 H ASN 8 H ASN 8 68.595 61.188 49.021 42 HA ASN 8 HA ASN 8 67.489 60.690 46.334 43 HB2 ASN 8 1HB ASN 8 68.605 63.168 47.574 44 HB3 ASN 8 2HB ASN 8 68.874 62.901 45.854 45 HD21 ASN 8 2HD2 ASN 8 67.498 65.056 46.443 46 HD22 ASN 8 1HD2 ASN 8 65.812 64.858 46.120 47 H SER 9 H SER 9 68.714 59.176 45.414 48 HA SER 9 HA SER 9 71.627 59.561 45.431 49 HB2 SER 9 1HB SER 9 72.013 57.190 45.727 50 HB3 SER 9 2HB SER 9 70.989 57.760 47.045 51 HG SER 9 HG SER 9 70.250 55.787 46.088 52 H LEU 10 H LEU 10 72.689 59.017 43.546 53 HA LEU 10 HA LEU 10 70.944 58.393 41.258 54 HB2 LEU 10 1HB LEU 10 73.509 59.965 41.395 55 HB3 LEU 10 2HB LEU 10 72.719 59.502 39.889 56 HG LEU 10 HG LEU 10 71.259 61.126 41.941 57 HD11 LEU 10 1HD1 LEU 10 73.633 62.009 41.019 58 HD12 LEU 10 2HD1 LEU 10 72.272 63.062 41.404 59 HD13 LEU 10 3HD1 LEU 10 72.563 62.573 39.735 60 HD21 LEU 10 3HD2 LEU 10 69.921 61.794 40.104 61 HD22 LEU 10 1HD2 LEU 10 70.118 60.047 39.969 62 HD23 LEU 10 2HD2 LEU 10 71.062 61.123 38.938 63 H ALA 11 H ALA 11 72.392 57.504 39.352 64 HA ALA 11 HA ALA 11 74.030 55.317 40.462 65 HB1 ALA 11 1HB ALA 11 72.507 55.116 37.883 66 HB2 ALA 11 2HB ALA 11 73.170 53.821 38.881 67 HB3 ALA 11 3HB ALA 11 71.763 54.729 39.435 68 H LEU 12 H LEU 12 75.883 56.723 40.216 69 HA LEU 12 HA LEU 12 76.666 57.365 37.479 70 HB2 LEU 12 1HB LEU 12 77.744 58.094 40.181 71 HB3 LEU 12 2HB LEU 12 78.677 58.378 38.713 72 HG LEU 12 HG LEU 12 76.729 59.761 37.890 73 HD11 LEU 12 1HD1 LEU 12 75.376 60.696 39.877 74 HD12 LEU 12 2HD1 LEU 12 75.830 59.198 40.689 75 HD13 LEU 12 3HD1 LEU 12 74.908 59.142 39.186 76 HD21 LEU 12 3HD2 LEU 12 77.943 60.824 40.426 77 HD22 LEU 12 1HD2 LEU 12 77.495 61.708 38.967 78 HD23 LEU 12 2HD2 LEU 12 78.877 60.613 38.944 79 H ALA 13 H ALA 13 76.539 54.647 37.952 80 HA ALA 13 HA ALA 13 79.352 53.832 38.236 81 HB1 ALA 13 1HB ALA 13 78.409 51.529 38.508 82 HB2 ALA 13 2HB ALA 13 77.958 52.666 39.779 83 HB3 ALA 13 3HB ALA 13 76.801 52.254 38.513 84 H ASN 14 H ASN 14 79.826 54.566 36.070 85 HA ASN 14 HA ASN 14 78.539 53.175 33.869 86 HB2 ASN 14 1HB ASN 14 80.677 55.303 33.996 87 HB3 ASN 14 2HB ASN 14 80.180 54.543 32.487 88 HD21 ASN 14 2HD2 ASN 14 79.740 56.897 32.080 89 HD22 ASN 14 1HD2 ASN 14 78.158 57.473 32.466 90 H VAL 15 H VAL 15 79.650 51.852 32.372 91 HA VAL 15 HA VAL 15 81.944 50.448 33.555 92 HB VAL 15 HB VAL 15 80.077 49.534 31.361 93 HG11 VAL 15 1HG1 VAL 15 81.139 47.376 31.583 94 HG12 VAL 15 2HG1 VAL 15 82.359 48.598 31.220 95 HG13 VAL 15 3HG1 VAL 15 82.183 47.987 32.865 96 HG21 VAL 15 3HG2 VAL 15 78.665 49.012 32.999 97 HG22 VAL 15 1HG2 VAL 15 79.868 47.874 33.605 98 HG23 VAL 15 2HG2 VAL 15 79.822 49.523 34.227 99 HA PRO 16 HA PRO 16 84.578 52.204 30.465 100 HB2 PRO 16 1HB PRO 16 86.696 50.547 30.831 101 HB3 PRO 16 2HB PRO 16 86.290 51.848 31.956 102 HG2 PRO 16 1HG PRO 16 85.689 48.922 32.148 103 HG3 PRO 16 2HG PRO 16 86.257 50.032 33.408 104 HD2 PRO 16 1HD PRO 16 83.665 49.281 33.189 105 HD3 PRO 16 2HD PRO 16 84.148 50.881 33.787 106 H LEU 17 H LEU 17 84.480 51.896 28.338 107 HA LEU 17 HA LEU 17 84.107 49.178 27.306 108 HB2 LEU 17 1HB LEU 17 83.426 51.905 26.324 109 HB3 LEU 17 2HB LEU 17 83.685 50.624 25.142 110 HG LEU 17 HG LEU 17 81.726 50.301 27.394 111 HD11 LEU 17 1HD1 LEU 17 81.538 52.098 25.125 112 HD12 LEU 17 2HD1 LEU 17 80.490 51.940 26.534 113 HD13 LEU 17 3HD1 LEU 17 80.250 50.893 25.136 114 HD21 LEU 17 3HD2 LEU 17 82.494 48.335 26.056 115 HD22 LEU 17 1HD2 LEU 17 81.796 49.104 24.630 116 HD23 LEU 17 2HD2 LEU 17 80.758 48.639 25.978 117 H SER 18 H SER 18 85.782 48.147 26.465 118 HA SER 18 HA SER 18 88.019 49.737 25.390 119 HB2 SER 18 1HB SER 18 89.227 47.406 25.828 120 HB3 SER 18 2HB SER 18 89.045 48.605 27.109 121 HG SER 18 HG SER 18 88.386 46.521 27.786 122 H ARG 19 H ARG 19 88.943 49.145 23.440 123 HA ARG 19 HA ARG 19 88.139 46.808 22.004 124 HB2 ARG 19 1HB ARG 19 87.069 48.045 20.115 125 HB3 ARG 19 2HB ARG 19 86.124 48.046 21.598 126 HG2 ARG 19 1HG ARG 19 86.762 50.303 22.078 127 HG3 ARG 19 2HG ARG 19 87.900 50.314 20.729 128 HD2 ARG 19 1HD ARG 19 86.104 51.390 19.788 129 HD3 ARG 19 2HD ARG 19 85.770 49.722 19.326 130 HE ARG 19 HE ARG 19 83.913 49.762 20.662 131 HH11 ARG 19 1HH1 ARG 19 85.969 52.446 21.489 132 HH12 ARG 19 2HH1 ARG 19 84.811 53.174 22.553 133 HH21 ARG 19 1HH2 ARG 19 82.380 50.710 22.061 134 HH22 ARG 19 2HH2 ARG 19 82.771 52.185 22.878 135 H SER 20 H SER 20 89.331 46.495 20.084 136 HA SER 20 HA SER 20 91.905 47.695 20.098 137 HB2 SER 20 1HB SER 20 91.085 45.330 19.244 138 HB3 SER 20 2HB SER 20 90.914 46.186 17.712 139 HG SER 20 HG SER 20 93.228 45.664 19.217 140 H LYS 21 H LYS 21 92.883 49.038 18.568 141 HA LYS 21 HA LYS 21 90.990 50.673 17.016 142 HB2 LYS 21 1HB LYS 21 93.595 51.307 18.369 143 HB3 LYS 21 2HB LYS 21 92.998 52.322 17.062 144 HG2 LYS 21 1HG LYS 21 91.173 51.693 19.325 145 HG3 LYS 21 2HG LYS 21 92.463 52.873 19.570 146 HD2 LYS 21 1HD LYS 21 91.651 54.166 17.665 147 HD3 LYS 21 2HD LYS 21 90.377 52.975 17.389 148 HE2 LYS 21 1HE LYS 21 89.844 53.518 19.929 149 HE3 LYS 21 2HE LYS 21 90.636 55.037 19.515 150 HZ1 LYS 21 3HZ LYS 21 88.974 54.739 17.449 151 HZ2 LYS 21 1HZ LYS 21 88.582 55.601 18.851 152 HZ3 LYS 21 2HZ LYS 21 88.065 54.001 18.670 153 H ARG 22 H ARG 22 92.074 48.170 16.068 154 HA ARG 22 HA ARG 22 93.033 47.254 14.219 155 HB2 ARG 22 1HB ARG 22 92.858 50.027 13.039 156 HB3 ARG 22 2HB ARG 22 92.882 48.497 12.174 157 HG2 ARG 22 1HG ARG 22 90.700 47.932 12.987 158 HG3 ARG 22 2HG ARG 22 90.683 49.346 14.043 159 HD2 ARG 22 1HD ARG 22 90.756 49.376 11.028 160 HD3 ARG 22 2HD ARG 22 89.353 49.732 12.035 161 HE ARG 22 HE ARG 22 91.576 51.475 11.469 162 HH11 ARG 22 1HH1 ARG 22 88.950 50.768 13.642 163 HH12 ARG 22 2HH1 ARG 22 88.849 52.385 14.255 164 HH21 ARG 22 1HH2 ARG 22 91.453 53.608 12.268 165 HH22 ARG 22 2HH2 ARG 22 90.273 54.000 13.472 166 HA PRO 23 HA PRO 23 97.172 49.032 15.425 167 HB2 PRO 23 1HB PRO 23 98.186 46.690 16.352 168 HB3 PRO 23 2HB PRO 23 97.254 47.801 17.363 169 HG2 PRO 23 1HG PRO 23 96.362 45.305 15.971 170 HG3 PRO 23 2HG PRO 23 95.987 45.867 17.611 171 HD2 PRO 23 1HD PRO 23 94.261 46.149 15.543 172 HD3 PRO 23 2HD PRO 23 94.355 47.319 16.875 173 H ASP 24 H ASP 24 99.008 48.897 14.201 174 HA ASP 24 HA ASP 24 98.900 47.814 11.642 175 HB2 ASP 24 1HB ASP 24 101.244 48.376 11.449 176 HB3 ASP 24 2HB ASP 24 100.431 49.639 12.369 177 H PHE 25 H PHE 25 100.435 46.194 10.715 178 HA PHE 25 HA PHE 25 101.050 44.013 10.510 179 HB2 PHE 25 1HB PHE 25 102.674 45.040 12.330 180 HB3 PHE 25 2HB PHE 25 101.835 43.913 13.391 181 HD1 PHE 25 HD1 PHE 25 103.321 43.872 9.964 182 HD2 PHE 25 HD2 PHE 25 102.879 41.906 13.712 183 HE1 PHE 25 HE1 PHE 25 104.783 42.056 9.179 184 HE2 PHE 25 HE2 PHE 25 104.341 40.087 12.935 185 HZ PHE 25 HZ PHE 25 105.296 40.160 10.666 186 H GLY 26 H GLY 26 98.401 44.187 10.833 187 HA2 GLY 26 1HA GLY 26 97.812 41.794 12.430 188 HA3 GLY 26 2HA GLY 26 96.847 43.239 12.694 189 H GLN 27 H GLN 27 97.032 40.372 11.024 190 HA GLN 27 HA GLN 27 95.277 41.341 8.872 191 HB2 GLN 27 1HB GLN 27 97.154 39.016 9.086 192 HB3 GLN 27 2HB GLN 27 95.802 38.944 7.964 193 HG2 GLN 27 1HG GLN 27 97.790 39.688 6.825 194 HG3 GLN 27 2HG GLN 27 96.603 40.989 6.881 195 HE21 GLN 27 2HE2 GLN 27 99.311 39.723 8.794 196 HE22 GLN 27 1HE2 GLN 27 99.979 41.267 9.185 197 H ARG 28 H ARG 28 93.732 39.461 8.131 198 HA ARG 28 HA ARG 28 91.818 39.125 10.140 199 HB2 ARG 28 1HB ARG 28 92.213 37.812 7.462 200 HB3 ARG 28 2HB ARG 28 90.871 37.373 8.509 201 HG2 ARG 28 1HG ARG 28 91.399 40.202 7.648 202 HG3 ARG 28 2HG ARG 28 90.389 39.087 6.724 203 HD2 ARG 28 1HD ARG 28 88.754 39.009 8.354 204 HD3 ARG 28 2HD ARG 28 89.865 39.492 9.635 205 HE ARG 28 HE ARG 28 89.398 41.681 9.165 206 HH11 ARG 28 1HH1 ARG 28 88.332 39.695 6.512 207 HH12 ARG 28 2HH1 ARG 28 87.526 40.993 5.694 208 HH21 ARG 28 1HH2 ARG 28 88.341 43.398 8.098 209 HH22 ARG 28 2HH2 ARG 28 87.533 43.098 6.597 210 H ARG 29 H ARG 29 90.885 36.845 10.635 211 HA ARG 29 HA ARG 29 93.111 35.083 11.427 212 HB2 ARG 29 1HB ARG 29 90.548 35.439 12.979 213 HB3 ARG 29 2HB ARG 29 92.005 34.595 13.488 214 HG2 ARG 29 1HG ARG 29 93.167 36.863 13.298 215 HG3 ARG 29 2HG ARG 29 91.540 37.544 13.239 216 HD2 ARG 29 1HD ARG 29 91.101 37.038 15.413 217 HD3 ARG 29 2HD ARG 29 92.115 35.596 15.395 218 HE ARG 29 HE ARG 29 93.672 37.967 15.186 219 HH11 ARG 29 1HH1 ARG 29 91.918 35.980 17.444 220 HH12 ARG 29 2HH1 ARG 29 92.871 36.463 18.808 221 HH21 ARG 29 1HH2 ARG 29 94.933 38.609 16.974 222 HH22 ARG 29 2HH2 ARG 29 94.585 37.959 18.540 223 H ILE 30 H ILE 30 92.579 32.815 11.637 224 HA ILE 30 HA ILE 30 90.403 32.027 9.816 225 HB ILE 30 HB ILE 30 92.880 30.438 10.489 226 HG12 ILE 30 1HG1 ILE 30 93.191 31.068 7.890 227 HG13 ILE 30 2HG1 ILE 30 92.333 32.507 8.432 228 HG21 ILE 30 1HG2 ILE 30 92.001 29.435 8.164 229 HG22 ILE 30 2HG2 ILE 30 91.498 28.814 9.736 230 HG23 ILE 30 3HG2 ILE 30 90.464 29.945 8.864 231 HD11 ILE 30 3HD1 ILE 30 95.073 31.623 8.971 232 HD12 ILE 30 1HD1 ILE 30 94.391 33.248 8.900 233 HD13 ILE 30 2HD1 ILE 30 94.209 32.278 10.362 234 H ARG 31 H ARG 31 91.869 31.494 12.940 235 HA ARG 31 HA ARG 31 90.528 29.141 13.675 236 HB2 ARG 31 1HB ARG 31 92.447 30.575 14.838 237 HB3 ARG 31 2HB ARG 31 91.081 31.211 15.743 238 HG2 ARG 31 1HG ARG 31 90.536 28.634 16.017 239 HG3 ARG 31 2HG ARG 31 92.278 28.501 15.762 240 HD2 ARG 31 1HD ARG 31 91.961 28.667 18.100 241 HD3 ARG 31 2HD ARG 31 92.553 30.240 17.568 242 HE ARG 31 HE ARG 31 89.696 30.103 17.653 243 HH11 ARG 31 1HH1 ARG 31 92.563 30.607 19.562 244 HH12 ARG 31 2HH1 ARG 31 91.751 31.544 20.772 245 HH21 ARG 31 1HH2 ARG 31 88.615 31.335 19.240 246 HH22 ARG 31 2HH2 ARG 31 89.505 31.956 20.588 247 H ARG 32 H ARG 32 89.391 32.340 13.271 248 HA ARG 32 HA ARG 32 87.113 32.050 15.030 249 HB2 ARG 32 1HB ARG 32 88.243 34.193 13.318 250 HB3 ARG 32 2HB ARG 32 86.506 34.234 13.584 251 HG2 ARG 32 1HG ARG 32 87.249 33.916 16.102 252 HG3 ARG 32 2HG ARG 32 88.731 34.657 15.496 253 HD2 ARG 32 1HD ARG 32 87.537 36.584 14.738 254 HD3 ARG 32 2HD ARG 32 85.985 35.819 15.074 255 HE ARG 32 HE ARG 32 87.162 35.840 17.494 256 HH11 ARG 32 1HH1 ARG 32 86.680 38.308 15.086 257 HH12 ARG 32 2HH1 ARG 32 86.593 39.599 16.239 258 HH21 ARG 32 1HH2 ARG 32 87.049 37.530 19.021 259 HH22 ARG 32 2HH2 ARG 32 86.804 39.155 18.477 260 HA PRO 33 HA PRO 33 84.197 30.396 12.201 261 HB2 PRO 33 1HB PRO 33 81.947 31.799 12.787 262 HB3 PRO 33 2HB PRO 33 82.622 30.572 13.865 263 HG2 PRO 33 1HG PRO 33 82.889 33.551 13.983 264 HG3 PRO 33 2HG PRO 33 82.593 32.401 15.300 265 HD2 PRO 33 1HD PRO 33 85.040 33.448 14.803 266 HD3 PRO 33 2HD PRO 33 84.816 31.812 15.454 267 H PHE 34 H PHE 34 82.424 31.091 10.578 268 HA PHE 34 HA PHE 34 83.606 32.664 8.587 269 HB2 PHE 34 1HB PHE 34 81.134 32.656 7.684 270 HB3 PHE 34 2HB PHE 34 82.071 31.167 7.727 271 HD1 PHE 34 HD1 PHE 34 80.164 33.037 10.330 272 HD2 PHE 34 HD2 PHE 34 80.684 29.398 8.185 273 HE1 PHE 34 HE1 PHE 34 78.414 31.983 11.701 274 HE2 PHE 34 HE2 PHE 34 78.934 28.338 9.552 275 HZ PHE 34 HZ PHE 34 77.796 29.631 11.312 276 H THR 35 H THR 35 82.603 34.607 7.568 277 HA THR 35 HA THR 35 81.780 36.510 9.660 278 HB THR 35 HB THR 35 83.901 37.145 8.706 279 HG1 THR 35 HG1 THR 35 83.091 39.169 7.569 280 HG21 THR 35 3HG2 THR 35 83.180 37.791 6.021 281 HG22 THR 35 1HG2 THR 35 82.804 36.094 6.314 282 HG23 THR 35 2HG2 THR 35 84.438 36.696 6.592 283 H VAL 36 H VAL 36 80.358 38.284 8.952 284 HA VAL 36 HA VAL 36 77.968 37.409 7.890 285 HB VAL 36 HB VAL 36 78.063 39.453 9.161 286 HG11 VAL 36 1HG1 VAL 36 80.306 40.153 8.294 287 HG12 VAL 36 2HG1 VAL 36 79.491 40.745 6.845 288 HG13 VAL 36 3HG1 VAL 36 79.123 41.454 8.417 289 HG21 VAL 36 3HG2 VAL 36 77.209 40.795 6.757 290 HG22 VAL 36 1HG2 VAL 36 76.636 39.128 6.784 291 HG23 VAL 36 2HG2 VAL 36 76.250 40.215 8.119 292 H ALA 37 H ALA 37 80.692 38.927 6.234 293 HA ALA 37 HA ALA 37 79.453 39.279 3.730 294 HB1 ALA 37 1HB ALA 37 81.890 39.918 4.807 295 HB2 ALA 37 2HB ALA 37 82.309 38.698 3.604 296 HB3 ALA 37 3HB ALA 37 81.422 40.144 3.122 297 H GLU 38 H GLU 38 81.509 36.648 4.964 298 HA GLU 38 HA GLU 38 81.435 35.081 2.628 299 HB2 GLU 38 1HB GLU 38 81.919 34.359 5.517 300 HB3 GLU 38 2HB GLU 38 82.055 33.196 4.206 301 HG2 GLU 38 1HG GLU 38 83.595 35.755 4.127 302 HG3 GLU 38 2HG GLU 38 84.174 34.383 5.071 303 H VAL 39 H VAL 39 79.503 34.907 5.609 304 HA VAL 39 HA VAL 39 77.892 32.740 4.819 305 HB VAL 39 HB VAL 39 77.243 34.977 6.744 306 HG11 VAL 39 1HG1 VAL 39 75.820 32.478 5.988 307 HG12 VAL 39 2HG1 VAL 39 75.792 32.980 7.680 308 HG13 VAL 39 3HG1 VAL 39 75.174 34.058 6.428 309 HG21 VAL 39 3HG2 VAL 39 77.884 32.353 7.833 310 HG22 VAL 39 1HG2 VAL 39 79.220 33.073 6.935 311 HG23 VAL 39 2HG2 VAL 39 78.493 33.945 8.284 312 H GLU 40 H GLU 40 77.672 36.180 4.216 313 HA GLU 40 HA GLU 40 74.985 36.179 3.281 314 HB2 GLU 40 1HB GLU 40 77.272 38.091 3.202 315 HB3 GLU 40 2HB GLU 40 75.929 38.360 2.099 316 HG2 GLU 40 1HG GLU 40 74.386 38.540 3.913 317 HG3 GLU 40 2HG GLU 40 75.618 38.048 5.074 318 H LEU 41 H LEU 41 78.133 36.097 1.637 319 HA LEU 41 HA LEU 41 77.170 36.098 -0.991 320 HB2 LEU 41 1HB LEU 41 79.672 34.858 0.142 321 HB3 LEU 41 2HB LEU 41 79.355 35.087 -1.576 322 HG LEU 41 HG LEU 41 79.279 37.475 0.199 323 HD11 LEU 41 1HD1 LEU 41 81.287 36.578 1.008 324 HD12 LEU 41 2HD1 LEU 41 81.773 37.702 -0.261 325 HD13 LEU 41 3HD1 LEU 41 81.756 35.967 -0.578 326 HD21 LEU 41 3HD2 LEU 41 79.403 36.857 -2.616 327 HD22 LEU 41 1HD2 LEU 41 80.715 37.936 -2.143 328 HD23 LEU 41 2HD2 LEU 41 79.042 38.387 -1.814 329 H LEU 42 H LEU 42 77.934 33.397 1.181 330 HA LEU 42 HA LEU 42 77.391 31.327 -0.637 331 HB2 LEU 42 1HB LEU 42 78.599 30.874 1.375 332 HB3 LEU 42 2HB LEU 42 77.254 31.430 2.368 333 HG LEU 42 HG LEU 42 76.801 29.100 0.573 334 HD11 LEU 42 1HD1 LEU 42 78.751 28.239 1.430 335 HD12 LEU 42 2HD1 LEU 42 77.587 27.725 2.650 336 HD13 LEU 42 3HD1 LEU 42 78.609 29.131 2.945 337 HD21 LEU 42 3HD2 LEU 42 75.696 28.524 2.959 338 HD22 LEU 42 1HD2 LEU 42 74.876 29.444 1.697 339 HD23 LEU 42 2HD2 LEU 42 75.674 30.286 3.026 340 H VAL 43 H VAL 43 75.332 32.525 2.022 341 HA VAL 43 HA VAL 43 73.044 31.086 1.369 342 HB VAL 43 HB VAL 43 73.196 33.818 2.651 343 HG11 VAL 43 1HG1 VAL 43 70.951 33.257 1.808 344 HG12 VAL 43 2HG1 VAL 43 70.985 31.767 2.753 345 HG13 VAL 43 3HG1 VAL 43 71.006 33.331 3.569 346 HG21 VAL 43 3HG2 VAL 43 72.898 31.187 4.066 347 HG22 VAL 43 1HG2 VAL 43 74.483 31.866 3.694 348 HG23 VAL 43 2HG2 VAL 43 73.364 32.752 4.730 349 H GLU 44 H GLU 44 74.345 33.998 -0.024 350 HA GLU 44 HA GLU 44 71.939 34.754 -1.391 351 HB2 GLU 44 1HB GLU 44 73.494 36.494 -0.878 352 HB3 GLU 44 2HB GLU 44 74.813 35.631 -1.656 353 HG2 GLU 44 1HG GLU 44 74.102 37.450 -3.052 354 HG3 GLU 44 2HG GLU 44 73.696 35.919 -3.826 355 H ALA 45 H ALA 45 74.725 32.776 -2.096 356 HA ALA 45 HA ALA 45 74.266 32.605 -4.915 357 HB1 ALA 45 1HB ALA 45 76.055 31.227 -2.970 358 HB2 ALA 45 2HB ALA 45 75.817 30.521 -4.569 359 HB3 ALA 45 3HB ALA 45 76.460 32.155 -4.413 360 H VAL 46 H VAL 46 73.507 30.554 -2.128 361 HA VAL 46 HA VAL 46 72.300 28.491 -3.705 362 HB VAL 46 HB VAL 46 73.158 27.767 -1.636 363 HG11 VAL 46 1HG1 VAL 46 73.448 29.446 -0.160 364 HG12 VAL 46 2HG1 VAL 46 71.950 30.256 -0.624 365 HG13 VAL 46 3HG1 VAL 46 71.905 28.878 0.477 366 HG21 VAL 46 3HG2 VAL 46 70.186 27.998 -1.184 367 HG22 VAL 46 1HG2 VAL 46 70.942 26.828 -2.265 368 HG23 VAL 46 2HG2 VAL 46 71.271 26.769 -0.534 369 H GLU 47 H GLU 47 71.174 31.355 -2.030 370 HA GLU 47 HA GLU 47 68.398 30.720 -2.175 371 HB2 GLU 47 1HB GLU 47 69.091 32.283 -0.510 372 HB3 GLU 47 2HB GLU 47 69.885 33.301 -1.703 373 HG2 GLU 47 1HG GLU 47 67.593 34.006 -0.739 374 HG3 GLU 47 2HG GLU 47 67.908 34.193 -2.463 375 H HIS 48 H HIS 48 70.553 32.776 -4.106 376 HA HIS 48 HA HIS 48 68.596 33.710 -5.900 377 HB2 HIS 48 1HB HIS 48 71.032 34.523 -5.512 378 HB3 HIS 48 2HB HIS 48 71.463 33.297 -6.700 379 HD1 HIS 48 HD1 HIS 48 71.721 34.299 -8.932 380 HD2 HIS 48 HD2 HIS 48 68.729 36.179 -6.748 381 HE1 HIS 48 HE1 HIS 48 70.807 36.087 -10.446 382 H LEU 49 H LEU 49 70.749 30.904 -6.009 383 HA LEU 49 HA LEU 49 69.649 30.053 -8.559 384 HB2 LEU 49 1HB LEU 49 71.610 28.621 -6.776 385 HB3 LEU 49 2HB LEU 49 71.261 28.270 -8.468 386 HG LEU 49 HG LEU 49 72.358 30.946 -7.713 387 HD11 LEU 49 1HD1 LEU 49 74.516 29.336 -8.490 388 HD12 LEU 49 2HD1 LEU 49 73.676 28.447 -7.221 389 HD13 LEU 49 3HD1 LEU 49 74.242 30.089 -6.919 390 HD21 LEU 49 3HD2 LEU 49 73.515 30.405 -9.988 391 HD22 LEU 49 1HD2 LEU 49 71.826 30.912 -9.953 392 HD23 LEU 49 2HD2 LEU 49 72.230 29.205 -10.135 393 H GLY 50 H GLY 50 68.737 29.814 -5.378 394 HA2 GLY 50 1HA GLY 50 67.070 28.601 -4.359 395 HA3 GLY 50 2HA GLY 50 66.689 27.925 -5.936 396 H THR 51 H THR 51 66.291 25.919 -4.832 397 HA THR 51 HA THR 51 68.736 24.534 -3.953 398 HB THR 51 HB THR 51 67.154 24.469 -2.188 399 HG1 THR 51 HG1 THR 51 66.789 22.001 -3.559 400 HG21 THR 51 3HG2 THR 51 65.226 24.290 -4.366 401 HG22 THR 51 1HG2 THR 51 65.020 24.896 -2.723 402 HG23 THR 51 2HG2 THR 51 64.880 23.168 -3.050 403 H GLY 52 H GLY 52 69.297 24.188 -6.218 404 HA2 GLY 52 1HA GLY 52 68.048 21.733 -7.210 405 HA3 GLY 52 2HA GLY 52 68.098 23.115 -8.294 406 H ARG 53 H ARG 53 70.394 24.137 -8.409 407 HA ARG 53 HA ARG 53 72.220 21.940 -9.039 408 HB2 ARG 53 1HB ARG 53 72.000 24.794 -9.942 409 HB3 ARG 53 2HB ARG 53 73.502 23.906 -10.158 410 HG2 ARG 53 1HG ARG 53 72.566 23.407 -12.145 411 HG3 ARG 53 2HG ARG 53 71.798 22.129 -11.201 412 HD2 ARG 53 1HD ARG 53 69.893 23.731 -10.803 413 HD3 ARG 53 2HD ARG 53 70.638 24.788 -12.001 414 HE ARG 53 HE ARG 53 69.858 23.405 -13.647 415 HH11 ARG 53 1HH1 ARG 53 69.721 21.730 -10.598 416 HH12 ARG 53 2HH1 ARG 53 68.861 20.369 -11.236 417 HH21 ARG 53 1HH2 ARG 53 68.725 21.618 -14.499 418 HH22 ARG 53 2HH2 ARG 53 68.296 20.306 -13.456 419 H TRP 54 H TRP 54 73.585 21.403 -7.469 420 HA TRP 54 HA TRP 54 74.311 23.167 -5.354 421 HB2 TRP 54 1HB TRP 54 75.709 20.593 -6.083 422 HB3 TRP 54 2HB TRP 54 75.616 21.361 -4.501 423 HD1 TRP 54 HD1 TRP 54 72.714 21.696 -3.851 424 HE1 TRP 54 HE1 TRP 54 71.044 19.740 -3.763 425 HE3 TRP 54 HE3 TRP 54 75.246 18.336 -6.756 426 HZ2 TRP 54 HZ2 TRP 54 70.829 17.119 -4.788 427 HZ3 TRP 54 HZ3 TRP 54 74.239 16.126 -7.153 428 HH2 TRP 54 HH2 TRP 54 72.076 15.532 -6.188 429 H ARG 55 H ARG 55 75.822 22.163 -8.358 430 HA ARG 55 HA ARG 55 78.398 23.213 -7.813 431 HB2 ARG 55 1HB ARG 55 78.845 22.899 -10.156 432 HB3 ARG 55 2HB ARG 55 77.894 21.534 -9.585 433 HG2 ARG 55 1HG ARG 55 75.863 22.778 -10.474 434 HG3 ARG 55 2HG ARG 55 77.014 23.830 -11.300 435 HD2 ARG 55 1HD ARG 55 76.904 20.831 -11.589 436 HD3 ARG 55 2HD ARG 55 76.179 21.976 -12.716 437 HE ARG 55 HE ARG 55 78.877 22.635 -12.422 438 HH11 ARG 55 1HH1 ARG 55 76.909 20.064 -13.702 439 HH12 ARG 55 2HH1 ARG 55 78.068 19.599 -14.903 440 HH21 ARG 55 1HH2 ARG 55 80.411 22.032 -13.999 441 HH22 ARG 55 2HH2 ARG 55 80.060 20.718 -15.071 442 H ASP 56 H ASP 56 75.438 24.593 -9.044 443 HA ASP 56 HA ASP 56 76.499 26.947 -10.168 444 HB2 ASP 56 1HB ASP 56 74.028 25.855 -10.082 445 HB3 ASP 56 2HB ASP 56 73.842 27.125 -8.875 446 H VAL 57 H VAL 57 75.177 26.299 -6.930 447 HA VAL 57 HA VAL 57 75.678 28.913 -5.935 448 HB VAL 57 HB VAL 57 74.016 27.604 -4.829 449 HG11 VAL 57 1HG1 VAL 57 74.695 25.380 -5.300 450 HG12 VAL 57 2HG1 VAL 57 76.211 25.585 -4.421 451 HG13 VAL 57 3HG1 VAL 57 74.681 25.541 -3.544 452 HG21 VAL 57 3HG2 VAL 57 74.883 27.592 -2.472 453 HG22 VAL 57 1HG2 VAL 57 76.471 27.991 -3.128 454 HG23 VAL 57 2HG2 VAL 57 75.122 29.105 -3.346 455 H LYS 58 H LYS 58 77.556 25.972 -6.101 456 HA LYS 58 HA LYS 58 79.536 26.624 -4.208 457 HB2 LYS 58 1HB LYS 58 79.170 24.360 -5.195 458 HB3 LYS 58 2HB LYS 58 79.862 24.947 -6.702 459 HG2 LYS 58 1HG LYS 58 81.763 25.609 -4.814 460 HG3 LYS 58 2HG LYS 58 81.173 24.031 -4.286 461 HD2 LYS 58 1HD LYS 58 81.779 24.406 -7.173 462 HD3 LYS 58 2HD LYS 58 83.135 24.271 -6.051 463 HE2 LYS 58 1HE LYS 58 82.088 22.169 -5.181 464 HE3 LYS 58 2HE LYS 58 80.911 22.284 -6.488 465 HZ1 LYS 58 3HZ LYS 58 83.587 21.319 -6.558 466 HZ2 LYS 58 1HZ LYS 58 83.358 22.544 -7.702 467 HZ3 LYS 58 2HZ LYS 58 82.365 21.175 -7.719 468 H PHE 59 H PHE 59 79.292 27.247 -7.683 469 HA PHE 59 HA PHE 59 81.838 28.630 -7.718 470 HB2 PHE 59 1HB PHE 59 81.314 27.341 -9.673 471 HB3 PHE 59 2HB PHE 59 79.751 28.132 -9.844 472 HD1 PHE 59 HD2 PHE 59 83.357 28.452 -10.337 473 HD2 PHE 59 HD1 PHE 59 79.574 30.354 -10.771 474 HE1 PHE 59 HE2 PHE 59 84.372 30.124 -11.828 475 HE2 PHE 59 HE1 PHE 59 80.583 32.028 -12.265 476 HZ PHE 59 HZ PHE 59 82.986 31.916 -12.794 477 H ARG 60 H ARG 60 78.408 29.443 -8.121 478 HA ARG 60 HA ARG 60 78.671 32.161 -8.636 479 HB2 ARG 60 1HB ARG 60 76.553 30.875 -8.799 480 HB3 ARG 60 2HB ARG 60 76.476 30.826 -7.043 481 HG2 ARG 60 1HG ARG 60 75.038 32.558 -7.673 482 HG3 ARG 60 2HG ARG 60 76.508 33.364 -7.123 483 HD2 ARG 60 1HD ARG 60 76.253 32.689 -10.010 484 HD3 ARG 60 2HD ARG 60 75.317 34.045 -9.380 485 HE ARG 60 HE ARG 60 77.933 34.367 -8.499 486 HH11 ARG 60 1HH1 ARG 60 76.194 34.293 -11.514 487 HH12 ARG 60 2HH1 ARG 60 77.292 35.361 -12.323 488 HH21 ARG 60 1HH2 ARG 60 79.386 35.774 -9.553 489 HH22 ARG 60 2HH2 ARG 60 79.107 36.202 -11.208 490 H ALA 61 H ALA 61 78.944 30.401 -5.640 491 HA ALA 61 HA ALA 61 78.816 32.746 -3.971 492 HB1 ALA 61 1HB ALA 61 79.622 31.102 -2.201 493 HB2 ALA 61 2HB ALA 61 78.052 30.782 -2.938 494 HB3 ALA 61 3HB ALA 61 79.468 29.862 -3.446 495 H PHE 62 H PHE 62 81.412 30.323 -4.074 496 HA PHE 62 HA PHE 62 83.429 32.154 -4.882 497 HB2 PHE 62 1HB PHE 62 82.758 32.095 -2.076 498 HB3 PHE 62 2HB PHE 62 84.407 31.529 -2.319 499 HD1 PHE 62 HD2 PHE 62 85.964 33.004 -3.710 500 HD2 PHE 62 HD1 PHE 62 82.276 34.365 -2.079 501 HE1 PHE 62 HE2 PHE 62 86.732 35.332 -3.925 502 HE2 PHE 62 HE1 PHE 62 83.037 36.695 -2.293 503 HZ PHE 62 HZ PHE 62 85.268 37.181 -3.216 504 H GLU 63 H GLU 63 84.441 30.730 -6.152 505 HA GLU 63 HA GLU 63 84.914 28.010 -5.204 506 HB2 GLU 63 1HB GLU 63 85.585 27.517 -7.487 507 HB3 GLU 63 2HB GLU 63 84.031 28.340 -7.480 508 HG2 GLU 63 1HG GLU 63 84.825 30.134 -8.571 509 HG3 GLU 63 2HG GLU 63 86.376 30.090 -7.736 510 H ASN 64 H ASN 64 86.339 30.149 -3.936 511 HA ASN 64 HA ASN 64 89.037 29.163 -4.343 512 HB2 ASN 64 1HB ASN 64 88.569 31.255 -5.834 513 HB3 ASN 64 2HB ASN 64 88.692 32.144 -4.318 514 HD21 ASN 64 2HD2 ASN 64 90.638 32.719 -3.642 515 HD22 ASN 64 1HD2 ASN 64 92.135 32.127 -4.269 516 H VAL 65 H VAL 65 86.799 29.354 -2.280 517 HA VAL 65 HA VAL 65 88.382 30.567 -0.109 518 HB VAL 65 HB VAL 65 86.288 30.773 1.157 519 HG11 VAL 65 1HG1 VAL 65 86.513 32.060 -1.536 520 HG12 VAL 65 2HG1 VAL 65 85.162 32.442 -0.467 521 HG13 VAL 65 3HG1 VAL 65 86.818 32.747 0.059 522 HG21 VAL 65 3HG2 VAL 65 84.222 30.547 -0.580 523 HG22 VAL 65 1HG2 VAL 65 85.254 29.220 -1.116 524 HG23 VAL 65 2HG2 VAL 65 84.703 29.288 0.558 525 H HIS 66 H HIS 66 88.247 29.499 1.993 526 HA HIS 66 HA HIS 66 88.977 26.839 1.940 527 HB2 HIS 66 1HB HIS 66 87.754 28.436 4.196 528 HB3 HIS 66 2HB HIS 66 88.473 26.841 4.400 529 HD1 HIS 66 HD1 HIS 66 89.720 29.015 6.000 530 HD2 HIS 66 HD2 HIS 66 90.906 28.184 2.106 531 HE1 HIS 66 HE1 HIS 66 92.052 29.932 5.798 532 H HIS 67 H HIS 67 87.954 24.897 2.172 533 HA HIS 67 HA HIS 67 86.278 23.378 1.886 534 HB2 HIS 67 1HB HIS 67 84.871 25.308 3.742 535 HB3 HIS 67 2HB HIS 67 84.313 23.678 3.380 536 HD1 HIS 67 HD1 HIS 67 85.937 25.369 5.958 537 HD2 HIS 67 HD2 HIS 67 86.715 21.799 3.982 538 HE1 HIS 67 HE1 HIS 67 87.408 24.048 7.512 539 H ARG 68 H ARG 68 86.330 24.492 -0.371 540 HA ARG 68 HA ARG 68 83.836 25.868 -0.992 541 HB2 ARG 68 1HB ARG 68 84.829 26.034 -3.291 542 HB3 ARG 68 2HB ARG 68 85.773 26.812 -2.027 543 HG2 ARG 68 1HG ARG 68 87.355 25.027 -2.007 544 HG3 ARG 68 2HG ARG 68 86.346 24.053 -3.078 545 HD2 ARG 68 1HD ARG 68 87.563 24.892 -4.749 546 HD3 ARG 68 2HD ARG 68 86.679 26.394 -4.486 547 HE ARG 68 HE ARG 68 88.713 26.596 -2.734 548 HH11 ARG 68 1HH1 ARG 68 88.589 25.832 -6.128 549 HH12 ARG 68 2HH1 ARG 68 90.149 26.504 -6.470 550 HH21 ARG 68 1HH2 ARG 68 90.768 27.484 -3.171 551 HH22 ARG 68 2HH2 ARG 68 91.388 27.442 -4.787 552 H THR 69 H THR 69 82.901 23.637 -0.239 553 HA THR 69 HA THR 69 82.725 21.822 -2.548 554 HB THR 69 HB THR 69 81.565 21.035 0.075 555 HG1 THR 69 HG1 THR 69 84.370 20.970 -0.437 556 HG21 THR 69 3HG2 THR 69 82.149 18.861 -0.606 557 HG22 THR 69 1HG2 THR 69 83.334 19.452 -1.771 558 HG23 THR 69 2HG2 THR 69 81.610 19.660 -2.083 559 H TYR 70 H TYR 70 80.892 21.695 -3.672 560 HA TYR 70 HA TYR 70 78.799 23.457 -3.464 561 HB2 TYR 70 1HB TYR 70 77.508 21.866 -4.870 562 HB3 TYR 70 2HB TYR 70 79.144 22.134 -5.462 563 HD1 TYR 70 HD2 TYR 70 80.864 20.373 -5.178 564 HD2 TYR 70 HD1 TYR 70 76.793 19.708 -4.138 565 HE1 TYR 70 HE2 TYR 70 81.268 17.947 -5.171 566 HE2 TYR 70 HE1 TYR 70 77.186 17.280 -4.127 567 HH TYR 70 HH TYR 70 79.709 15.828 -3.755 568 H VAL 71 H VAL 71 79.022 20.201 -2.081 569 HA VAL 71 HA VAL 71 76.422 20.138 -0.982 570 HB VAL 71 HB VAL 71 77.728 18.100 -1.279 571 HG11 VAL 71 1HG1 VAL 71 79.788 17.750 -0.457 572 HG12 VAL 71 2HG1 VAL 71 79.830 19.505 -0.276 573 HG13 VAL 71 3HG1 VAL 71 79.401 18.485 1.098 574 HG21 VAL 71 3HG2 VAL 71 76.459 17.212 0.313 575 HG22 VAL 71 1HG2 VAL 71 77.580 17.782 1.549 576 HG23 VAL 71 2HG2 VAL 71 76.248 18.811 1.025 577 H ASP 72 H ASP 72 79.473 21.401 0.184 578 HA ASP 72 HA ASP 72 78.727 21.740 2.892 579 HB2 ASP 72 1HB ASP 72 81.073 21.780 2.102 580 HB3 ASP 72 2HB ASP 72 80.755 23.308 1.284 581 H LEU 73 H LEU 73 78.507 23.838 0.057 582 HA LEU 73 HA LEU 73 77.620 26.145 1.427 583 HB2 LEU 73 1HB LEU 73 77.386 25.234 -1.426 584 HB3 LEU 73 2HB LEU 73 76.715 26.768 -0.875 585 HG LEU 73 HG LEU 73 79.294 26.940 0.005 586 HD11 LEU 73 1HD1 LEU 73 79.199 25.026 -2.218 587 HD12 LEU 73 2HD1 LEU 73 80.444 25.295 -0.999 588 HD13 LEU 73 3HD1 LEU 73 80.354 26.345 -2.413 589 HD21 LEU 73 3HD2 LEU 73 77.673 28.412 -1.509 590 HD22 LEU 73 1HD2 LEU 73 78.755 27.824 -2.771 591 HD23 LEU 73 2HD2 LEU 73 79.406 28.721 -1.400 592 H LYS 74 H LYS 74 75.844 23.622 -0.345 593 HA LYS 74 HA LYS 74 73.272 24.667 0.181 594 HB2 LYS 74 1HB LYS 74 73.921 22.961 -1.591 595 HB3 LYS 74 2HB LYS 74 73.920 21.761 -0.305 596 HG2 LYS 74 1HG LYS 74 71.509 23.464 -0.685 597 HG3 LYS 74 2HG LYS 74 71.809 22.131 -1.803 598 HD2 LYS 74 1HD LYS 74 72.196 20.804 0.454 599 HD3 LYS 74 2HD LYS 74 71.157 22.076 1.100 600 HE2 LYS 74 1HE LYS 74 69.357 21.451 -0.236 601 HE3 LYS 74 2HE LYS 74 70.381 20.580 -1.376 602 HZ1 LYS 74 3HZ LYS 74 69.770 19.737 1.406 603 HZ2 LYS 74 1HZ LYS 74 70.779 18.907 0.331 604 HZ3 LYS 74 2HZ LYS 74 69.128 19.054 -0.002 605 H ASP 75 H ASP 75 75.206 22.170 1.796 606 HA ASP 75 HA ASP 75 73.265 21.470 3.723 607 HB2 ASP 75 1HB ASP 75 75.350 20.162 3.095 608 HB3 ASP 75 2HB ASP 75 76.254 21.290 4.102 609 H LYS 76 H LYS 76 75.823 23.893 3.677 610 HA LYS 76 HA LYS 76 75.667 24.652 6.386 611 HB2 LYS 76 1HB LYS 76 77.560 25.277 4.989 612 HB3 LYS 76 2HB LYS 76 76.514 26.246 3.960 613 HG2 LYS 76 1HG LYS 76 77.660 27.747 5.378 614 HG3 LYS 76 2HG LYS 76 76.003 27.652 5.979 615 HD2 LYS 76 1HD LYS 76 77.316 27.525 7.909 616 HD3 LYS 76 2HD LYS 76 76.892 25.845 7.570 617 HE2 LYS 76 1HE LYS 76 79.108 25.740 6.293 618 HE3 LYS 76 2HE LYS 76 79.505 27.253 7.107 619 HZ1 LYS 76 3HZ LYS 76 79.523 24.585 8.131 620 HZ2 LYS 76 1HZ LYS 76 78.617 25.626 9.108 621 HZ3 LYS 76 2HZ LYS 76 80.233 25.985 8.762 622 H TRP 77 H TRP 77 74.111 25.994 3.484 623 HA TRP 77 HA TRP 77 72.734 28.080 4.727 624 HB2 TRP 77 1HB TRP 77 72.834 28.085 2.357 625 HB3 TRP 77 2HB TRP 77 72.143 26.468 2.249 626 HD1 TRP 77 HD1 TRP 77 70.932 29.874 3.701 627 HE1 TRP 77 HE1 TRP 77 68.471 30.185 3.012 628 HE3 TRP 77 HE3 TRP 77 70.248 25.506 1.132 629 HZ2 TRP 77 HZ2 TRP 77 66.501 28.767 1.572 630 HZ3 TRP 77 HZ3 TRP 77 68.046 25.060 0.130 631 HH2 TRP 77 HH2 TRP 77 66.212 26.657 0.347 632 H LYS 78 H LYS 78 71.580 24.801 3.941 633 HA LYS 78 HA LYS 78 69.043 25.050 5.091 634 HB2 LYS 78 1HB LYS 78 69.524 23.215 3.614 635 HB3 LYS 78 2HB LYS 78 70.795 22.625 4.677 636 HG2 LYS 78 1HG LYS 78 68.825 21.246 4.881 637 HG3 LYS 78 2HG LYS 78 69.112 22.118 6.389 638 HD2 LYS 78 1HD LYS 78 67.341 23.612 5.984 639 HD3 LYS 78 2HD LYS 78 67.240 23.161 4.281 640 HE2 LYS 78 1HE LYS 78 66.727 21.157 6.452 641 HE3 LYS 78 2HE LYS 78 65.458 22.255 5.909 642 HZ1 LYS 78 3HZ LYS 78 66.365 21.312 3.581 643 HZ2 LYS 78 1HZ LYS 78 65.070 20.631 4.432 644 HZ3 LYS 78 2HZ LYS 78 66.618 19.963 4.571 645 H THR 79 H THR 79 72.068 23.805 6.477 646 HA THR 79 HA THR 79 71.066 23.098 8.989 647 HB THR 79 HB THR 79 73.842 24.072 8.286 648 HG1 THR 79 HG1 THR 79 72.592 21.526 8.290 649 HG21 THR 79 3HG2 THR 79 73.951 24.170 10.563 650 HG22 THR 79 1HG2 THR 79 74.256 22.446 10.354 651 HG23 THR 79 2HG2 THR 79 72.641 23.010 10.786 652 H LEU 80 H LEU 80 72.673 26.115 7.980 653 HA LEU 80 HA LEU 80 72.483 27.457 10.418 654 HB2 LEU 80 1HB LEU 80 73.352 29.210 9.316 655 HB3 LEU 80 2HB LEU 80 73.579 28.025 8.031 656 HG LEU 80 HG LEU 80 71.218 28.851 7.258 657 HD11 LEU 80 1HD1 LEU 80 70.353 30.511 8.445 658 HD12 LEU 80 2HD1 LEU 80 71.686 31.533 7.907 659 HD13 LEU 80 3HD1 LEU 80 71.816 30.640 9.423 660 HD21 LEU 80 3HD2 LEU 80 73.348 30.864 6.774 661 HD22 LEU 80 1HD2 LEU 80 72.282 30.044 5.633 662 HD23 LEU 80 2HD2 LEU 80 73.668 29.191 6.313 663 H VAL 81 H VAL 81 70.127 26.976 7.883 664 HA VAL 81 HA VAL 81 68.279 28.960 8.714 665 HB VAL 81 HB VAL 81 67.958 26.464 7.058 666 HG11 VAL 81 1HG1 VAL 81 65.905 28.183 8.254 667 HG12 VAL 81 2HG1 VAL 81 65.735 27.935 6.515 668 HG13 VAL 81 3HG1 VAL 81 65.782 26.548 7.604 669 HG21 VAL 81 3HG2 VAL 81 67.346 29.018 5.833 670 HG22 VAL 81 1HG2 VAL 81 68.985 28.973 6.483 671 HG23 VAL 81 2HG2 VAL 81 68.466 27.758 5.314 672 H HIS 82 H HIS 82 68.556 25.487 9.384 673 HA HIS 82 HA HIS 82 66.216 25.245 10.923 674 HB2 HIS 82 1HB HIS 82 67.454 23.316 10.006 675 HB3 HIS 82 2HB HIS 82 68.772 23.639 11.129 676 HD1 HIS 82 HD1 HIS 82 65.011 23.307 11.660 677 HD2 HIS 82 HD2 HIS 82 68.607 21.784 13.077 678 HE1 HIS 82 HE1 HIS 82 64.387 21.717 13.505 679 H THR 83 H THR 83 69.540 26.047 11.807 680 HA THR 83 HA THR 83 69.053 26.096 14.617 681 HB THR 83 HB THR 83 71.296 27.358 13.028 682 HG1 THR 83 HG1 THR 83 72.186 25.431 13.090 683 HG21 THR 83 3HG2 THR 83 72.409 26.991 15.390 684 HG22 THR 83 1HG2 THR 83 70.743 27.134 15.950 685 HG23 THR 83 2HG2 THR 83 71.485 28.451 15.041 686 H ALA 84 H ALA 84 68.796 28.423 12.033 687 HA ALA 84 HA ALA 84 68.516 30.672 13.841 688 HB1 ALA 84 1HB ALA 84 68.055 30.615 10.864 689 HB2 ALA 84 2HB ALA 84 68.332 32.029 11.882 690 HB3 ALA 84 3HB ALA 84 69.630 30.865 11.617 691 H SER 85 H SER 85 66.529 28.224 12.769 692 HA SER 85 HA SER 85 64.108 29.885 12.908 693 HB2 SER 85 1HB SER 85 64.597 28.259 10.941 694 HB3 SER 85 2HB SER 85 64.132 26.995 12.080 695 HG SER 85 HG SER 85 62.121 27.568 11.873 696 H ILE 86 H ILE 86 65.736 27.130 14.345 697 HA ILE 86 HA ILE 86 63.742 26.093 15.952 698 HB ILE 86 HB ILE 86 65.604 25.484 17.553 699 HG12 ILE 86 1HG1 ILE 86 67.351 26.732 15.424 700 HG13 ILE 86 2HG1 ILE 86 67.014 27.480 16.981 701 HG21 ILE 86 1HG2 ILE 86 65.711 23.663 16.293 702 HG22 ILE 86 2HG2 ILE 86 65.021 24.569 14.947 703 HG23 ILE 86 3HG2 ILE 86 66.771 24.488 15.151 704 HD11 ILE 86 3HD1 ILE 86 68.673 25.094 16.343 705 HD12 ILE 86 1HD1 ILE 86 69.037 26.480 17.370 706 HD13 ILE 86 2HD1 ILE 86 67.924 25.233 17.933 707 H ALA 87 H ALA 87 63.815 26.258 18.451 708 HA ALA 87 HA ALA 87 62.758 28.678 19.246 709 HB1 ALA 87 1HB ALA 87 64.112 27.355 21.441 710 HB2 ALA 87 2HB ALA 87 62.388 27.603 21.161 711 HB3 ALA 87 3HB ALA 87 63.209 26.221 20.437 712 HA PRO 88 HA PRO 88 66.041 31.491 19.996 713 HB2 PRO 88 1HB PRO 88 65.249 32.721 22.283 714 HB3 PRO 88 2HB PRO 88 64.462 32.993 20.724 715 HG2 PRO 88 1HG PRO 88 63.625 31.217 22.983 716 HG3 PRO 88 2HG PRO 88 62.636 32.297 21.984 717 HD2 PRO 88 1HD PRO 88 62.749 29.624 21.568 718 HD3 PRO 88 2HD PRO 88 62.518 30.787 20.246 719 H GLN 89 H GLN 89 65.105 29.515 22.778 720 HA GLN 89 HA GLN 89 67.342 29.984 24.388 721 HB2 GLN 89 1HB GLN 89 66.776 27.805 25.453 722 HB3 GLN 89 2HB GLN 89 65.400 28.888 25.294 723 HG2 GLN 89 1HG GLN 89 64.632 27.650 23.345 724 HG3 GLN 89 2HG GLN 89 66.026 26.578 23.469 725 HE21 GLN 89 2HE2 GLN 89 66.252 25.631 25.775 726 HE22 GLN 89 1HE2 GLN 89 64.801 24.970 26.439 727 H GLN 90 H GLN 90 67.000 28.160 21.495 728 HA GLN 90 HA GLN 90 69.542 26.772 21.951 729 HB2 GLN 90 1HB GLN 90 67.481 26.414 19.768 730 HB3 GLN 90 2HB GLN 90 68.955 25.468 19.935 731 HG2 GLN 90 1HG GLN 90 66.648 25.552 21.864 732 HG3 GLN 90 2HG GLN 90 67.074 24.228 20.782 733 HE21 GLN 90 2HE2 GLN 90 66.784 23.992 23.568 734 HE22 GLN 90 1HE2 GLN 90 68.321 23.571 24.235 735 H ARG 91 H ARG 91 68.183 29.436 20.306 736 HA ARG 91 HA ARG 91 70.047 29.568 18.146 737 HB2 ARG 91 1HB ARG 91 67.880 31.256 19.229 738 HB3 ARG 91 2HB ARG 91 69.167 32.124 18.402 739 HG2 ARG 91 1HG ARG 91 68.811 30.423 16.507 740 HG3 ARG 91 2HG ARG 91 67.281 30.073 17.313 741 HD2 ARG 91 1HD ARG 91 68.213 32.691 16.158 742 HD3 ARG 91 2HD ARG 91 66.836 31.713 15.653 743 HE ARG 91 HE ARG 91 66.449 32.419 18.322 744 HH11 ARG 91 1HH1 ARG 91 66.639 33.948 15.200 745 HH12 ARG 91 2HH1 ARG 91 65.586 35.254 15.631 746 HH21 ARG 91 1HH2 ARG 91 65.061 34.134 18.901 747 HH22 ARG 91 2HH2 ARG 91 64.689 35.360 17.736 748 H ARG 92 H ARG 92 72.002 29.208 19.434 749 HA ARG 92 HA ARG 92 73.023 31.745 20.524 750 HB2 ARG 92 1HB ARG 92 72.484 29.862 22.228 751 HB3 ARG 92 2HB ARG 92 73.928 29.087 21.590 752 HG2 ARG 92 1HG ARG 92 75.189 31.176 22.146 753 HG3 ARG 92 2HG ARG 92 73.738 31.752 22.969 754 HD2 ARG 92 1HD ARG 92 73.913 30.198 24.654 755 HD3 ARG 92 2HD ARG 92 74.812 29.059 23.653 756 HE ARG 92 HE ARG 92 76.312 31.426 24.134 757 HH11 ARG 92 1HH1 ARG 92 75.290 28.437 25.599 758 HH12 ARG 92 2HH1 ARG 92 76.645 28.350 26.674 759 HH21 ARG 92 1HH2 ARG 92 78.100 31.322 25.545 760 HH22 ARG 92 2HH2 ARG 92 78.243 29.992 26.644 761 H GLY 93 H GLY 93 73.319 30.974 17.866 762 HA2 GLY 93 1HA GLY 93 75.763 29.586 17.401 763 HA3 GLY 93 2HA GLY 93 74.890 30.569 16.234 764 H ALA 94 H ALA 94 76.590 31.682 15.384 765 HA ALA 94 HA ALA 94 78.548 32.954 17.078 766 HB1 ALA 94 1HB ALA 94 78.409 32.182 14.371 767 HB2 ALA 94 2HB ALA 94 78.644 33.930 14.395 768 HB3 ALA 94 3HB ALA 94 79.781 32.876 15.236 769 HA PRO 95 HA PRO 95 76.746 36.927 17.544 770 HB2 PRO 95 1HB PRO 95 78.882 38.576 17.244 771 HB3 PRO 95 2HB PRO 95 78.649 37.554 18.667 772 HG2 PRO 95 1HG PRO 95 80.376 37.092 16.266 773 HG3 PRO 95 2HG PRO 95 80.745 36.819 17.978 774 HD2 PRO 95 1HD PRO 95 80.031 34.814 16.304 775 HD3 PRO 95 2HD PRO 95 79.618 34.809 18.030 776 H VAL 96 H VAL 96 75.569 36.576 15.450 777 HA VAL 96 HA VAL 96 76.514 38.489 13.414 778 HB VAL 96 HB VAL 96 75.050 37.095 11.820 779 HG11 VAL 96 1HG1 VAL 96 77.673 36.106 12.920 780 HG12 VAL 96 2HG1 VAL 96 76.927 35.463 11.456 781 HG13 VAL 96 3HG1 VAL 96 77.410 37.159 11.530 782 HG21 VAL 96 3HG2 VAL 96 74.109 35.782 13.819 783 HG22 VAL 96 1HG2 VAL 96 74.539 34.883 12.364 784 HG23 VAL 96 2HG2 VAL 96 75.621 34.876 13.757 785 HA PRO 97 HA PRO 97 72.759 40.716 13.872 786 HB2 PRO 97 1HB PRO 97 72.321 41.565 11.330 787 HB3 PRO 97 2HB PRO 97 73.601 42.223 12.355 788 HG2 PRO 97 1HG PRO 97 73.777 40.154 10.199 789 HG3 PRO 97 2HG PRO 97 74.863 41.515 10.535 790 HD2 PRO 97 1HD PRO 97 75.429 38.978 11.293 791 HD3 PRO 97 2HD PRO 97 75.949 40.393 12.230 792 H GLN 98 H GLN 98 70.577 40.424 13.792 793 HA GLN 98 HA GLN 98 69.492 37.964 13.139 794 HB2 GLN 98 1HB GLN 98 67.341 38.932 13.520 795 HB3 GLN 98 2HB GLN 98 68.467 39.706 14.626 796 HG2 GLN 98 1HG GLN 98 68.648 41.523 12.801 797 HG3 GLN 98 2HG GLN 98 67.150 40.823 12.189 798 HE21 GLN 98 2HE2 GLN 98 65.768 40.212 14.401 799 HE22 GLN 98 1HE2 GLN 98 65.428 41.629 15.328 800 H GLU 99 H GLU 99 70.058 40.733 11.122 801 HA GLU 99 HA GLU 99 68.290 40.359 9.043 802 HB2 GLU 99 1HB GLU 99 69.791 41.589 7.667 803 HB3 GLU 99 2HB GLU 99 69.977 42.216 9.299 804 HG2 GLU 99 1HG GLU 99 71.895 40.347 9.323 805 HG3 GLU 99 2HG GLU 99 71.883 40.739 7.604 806 H LEU 100 H LEU 100 71.173 38.540 9.824 807 HA LEU 100 HA LEU 100 71.385 37.151 7.357 808 HB2 LEU 100 1HB LEU 100 72.340 36.287 10.082 809 HB3 LEU 100 2HB LEU 100 72.896 35.665 8.530 810 HG LEU 100 HG LEU 100 73.503 38.283 9.848 811 HD11 LEU 100 1HD1 LEU 100 74.890 36.054 9.891 812 HD12 LEU 100 2HD1 LEU 100 75.688 37.617 9.720 813 HD13 LEU 100 3HD1 LEU 100 75.415 36.607 8.300 814 HD21 LEU 100 3HD2 LEU 100 74.498 39.029 7.703 815 HD22 LEU 100 1HD2 LEU 100 72.737 38.935 7.664 816 HD23 LEU 100 2HD2 LEU 100 73.704 37.672 6.902 817 H LEU 101 H LEU 101 69.820 36.410 10.444 818 HA LEU 101 HA LEU 101 68.934 33.817 9.618 819 HB2 LEU 101 1HB LEU 101 67.984 35.560 11.888 820 HB3 LEU 101 2HB LEU 101 67.606 33.852 11.674 821 HG LEU 101 HG LEU 101 69.292 33.564 13.132 822 HD11 LEU 101 1HD1 LEU 101 71.322 33.015 12.105 823 HD12 LEU 101 2HD1 LEU 101 71.133 34.254 10.865 824 HD13 LEU 101 3HD1 LEU 101 70.112 32.816 10.837 825 HD21 LEU 101 3HD2 LEU 101 70.988 35.184 13.656 826 HD22 LEU 101 1HD2 LEU 101 69.434 36.008 13.538 827 HD23 LEU 101 2HD2 LEU 101 70.595 36.124 12.216 828 H ASP 102 H ASP 102 67.722 37.044 9.338 829 HA ASP 102 HA ASP 102 64.989 36.328 8.867 830 HB2 ASP 102 1HB ASP 102 65.507 38.545 9.692 831 HB3 ASP 102 2HB ASP 102 66.524 38.869 8.290 832 H ARG 103 H ARG 103 67.793 37.024 6.839 833 HA ARG 103 HA ARG 103 66.359 36.911 4.375 834 HB2 ARG 103 1HB ARG 103 68.609 36.826 3.341 835 HB3 ARG 103 2HB ARG 103 68.441 38.137 4.500 836 HG2 ARG 103 1HG ARG 103 69.592 36.738 6.185 837 HG3 ARG 103 2HG ARG 103 69.843 35.511 4.942 838 HD2 ARG 103 1HD ARG 103 70.760 38.347 4.580 839 HD3 ARG 103 2HD ARG 103 71.755 37.149 5.407 840 HE ARG 103 HE ARG 103 72.091 36.054 3.384 841 HH11 ARG 103 1HH1 ARG 103 69.860 38.702 3.023 842 HH12 ARG 103 2HH1 ARG 103 69.938 38.702 1.292 843 HH21 ARG 103 1HH2 ARG 103 72.202 36.044 1.106 844 HH22 ARG 103 2HH2 ARG 103 71.270 37.189 0.203 845 H VAL 104 H VAL 104 68.390 34.617 6.160 846 HA VAL 104 HA VAL 104 68.274 32.538 4.253 847 HB VAL 104 HB VAL 104 69.069 31.068 6.009 848 HG11 VAL 104 1HG1 VAL 104 71.019 32.027 5.528 849 HG12 VAL 104 2HG1 VAL 104 70.274 33.620 5.381 850 HG13 VAL 104 3HG1 VAL 104 70.791 33.029 6.961 851 HG21 VAL 104 3HG2 VAL 104 69.414 32.252 8.319 852 HG22 VAL 104 1HG2 VAL 104 68.053 33.239 7.785 853 HG23 VAL 104 2HG2 VAL 104 67.871 31.490 7.929 854 H LEU 105 H LEU 105 66.259 33.337 7.042 855 HA LEU 105 HA LEU 105 64.654 30.991 6.901 856 HB2 LEU 105 1HB LEU 105 64.376 33.643 8.267 857 HB3 LEU 105 2HB LEU 105 63.058 32.474 8.285 858 HG LEU 105 HG LEU 105 65.830 31.932 9.343 859 HD11 LEU 105 1HD1 LEU 105 63.544 33.306 10.520 860 HD12 LEU 105 2HD1 LEU 105 65.226 33.244 11.045 861 HD13 LEU 105 3HD1 LEU 105 64.118 31.944 11.481 862 HD21 LEU 105 3HD2 LEU 105 65.181 29.824 9.620 863 HD22 LEU 105 1HD2 LEU 105 63.774 30.195 8.622 864 HD23 LEU 105 2HD2 LEU 105 63.668 30.325 10.378 865 H ALA 106 H ALA 106 64.073 34.366 5.919 866 HA ALA 106 HA ALA 106 61.541 34.054 4.838 867 HB1 ALA 106 1HB ALA 106 63.728 35.896 3.879 868 HB2 ALA 106 2HB ALA 106 62.007 36.063 3.530 869 HB3 ALA 106 3HB ALA 106 62.591 36.230 5.186 870 H ALA 107 H ALA 107 64.696 33.467 3.363 871 HA ALA 107 HA ALA 107 63.713 32.955 0.748 872 HB1 ALA 107 1HB ALA 107 65.906 33.290 0.475 873 HB2 ALA 107 2HB ALA 107 66.279 32.814 2.133 874 HB3 ALA 107 3HB ALA 107 66.079 31.583 0.886 875 H GLN 108 H GLN 108 64.575 30.851 3.473 876 HA GLN 108 HA GLN 108 64.264 28.382 2.260 877 HB2 GLN 108 1HB GLN 108 64.982 29.063 4.694 878 HB3 GLN 108 2HB GLN 108 63.282 28.791 5.056 879 HG2 GLN 108 1HG GLN 108 65.296 26.818 4.026 880 HG3 GLN 108 2HG GLN 108 64.413 26.783 5.551 881 HE21 GLN 108 2HE2 GLN 108 64.551 25.570 2.476 882 HE22 GLN 108 1HE2 GLN 108 62.941 24.958 2.345 883 H ALA 109 H ALA 109 61.798 30.320 3.941 884 HA ALA 109 HA ALA 109 59.676 28.506 3.367 885 HB1 ALA 109 1HB ALA 109 59.012 31.331 3.905 886 HB2 ALA 109 2HB ALA 109 58.392 29.855 4.646 887 HB3 ALA 109 3HB ALA 109 59.956 30.500 5.141 888 H TYR 110 H TYR 110 61.032 31.301 1.757 889 HA TYR 110 HA TYR 110 58.922 31.856 -0.010 890 HB2 TYR 110 1HB TYR 110 61.744 32.578 0.244 891 HB3 TYR 110 2HB TYR 110 61.201 32.501 -1.429 892 HD1 TYR 110 HD1 TYR 110 59.302 33.556 1.595 893 HD2 TYR 110 HD2 TYR 110 61.073 34.736 -2.089 894 HE1 TYR 110 HE1 TYR 110 58.288 35.784 1.828 895 HE2 TYR 110 HE2 TYR 110 60.065 36.968 -1.865 896 HH TYR 110 HH TYR 110 57.596 37.671 0.200 897 H TRP 111 H TRP 111 61.673 29.651 -0.264 898 HA TRP 111 HA TRP 111 60.976 28.814 -2.929 899 HB2 TRP 111 1HB TRP 111 63.074 28.073 -0.935 900 HB3 TRP 111 2HB TRP 111 62.724 26.948 -2.244 901 HD1 TRP 111 HD1 TRP 111 65.139 29.445 -1.531 902 HE1 TRP 111 HE1 TRP 111 66.064 30.577 -3.650 903 HE3 TRP 111 HE3 TRP 111 61.535 28.005 -4.859 904 HZ2 TRP 111 HZ2 TRP 111 65.358 30.827 -6.371 905 HZ3 TRP 111 HZ3 TRP 111 61.734 28.734 -7.201 906 HH2 TRP 111 HH2 TRP 111 63.606 30.116 -7.939 907 H SER 112 H SER 112 60.043 27.957 0.244 908 HA SER 112 HA SER 112 59.198 25.273 -0.468 909 HB2 SER 112 1HB SER 112 60.059 26.245 1.870 910 HB3 SER 112 2HB SER 112 58.332 26.529 2.090 911 HG SER 112 HG SER 112 59.683 24.236 2.304 912 H VAL 113 H VAL 113 57.952 26.877 -2.176 913 HA VAL 113 HA VAL 113 55.448 27.889 -1.272 914 HB VAL 113 HB VAL 113 56.157 27.106 -4.099 915 HG11 VAL 113 1HG1 VAL 113 53.754 27.795 -3.232 916 HG12 VAL 113 2HG1 VAL 113 54.429 29.418 -3.394 917 HG13 VAL 113 3HG1 VAL 113 54.369 28.343 -4.791 918 HG21 VAL 113 3HG2 VAL 113 56.969 29.380 -4.406 919 HG22 VAL 113 1HG2 VAL 113 56.662 29.734 -2.705 920 HG23 VAL 113 2HG2 VAL 113 57.897 28.557 -3.153 921 H ASP 114 H ASP 114 56.245 25.064 -3.303 922 HA ASP 114 HA ASP 114 53.845 23.738 -2.229 923 HB2 ASP 114 1HB ASP 114 53.243 24.328 -4.449 924 HB3 ASP 114 2HB ASP 114 54.815 23.847 -5.082 925 H SER 115 H SER 115 54.183 21.783 -1.385 926 HA SER 115 HA SER 115 56.859 20.649 -1.549 927 HB2 SER 115 1HB SER 115 54.497 20.255 0.249 928 HB3 SER 115 2HB SER 115 55.716 18.985 0.146 929 HG SER 115 HG SER 115 56.134 20.543 1.809 930 H SER 116 H SER 116 53.623 20.022 -2.654 931 HA SER 116 HA SER 116 53.823 17.293 -3.245 932 HB2 SER 116 1HB SER 116 51.816 17.535 -4.356 933 HB3 SER 116 2HB SER 116 51.798 18.998 -3.372 934 HG SER 116 HG SER 116 51.645 20.018 -5.193 935 H GLY 117 H GLY 117 54.753 16.160 -4.850 936 HA2 GLY 117 1HA GLY 117 55.876 17.656 -7.129 937 HA3 GLY 117 2HA GLY 117 56.871 16.518 -6.233 938 H ARG 118 H ARG 118 56.866 15.925 -8.731 939 HA ARG 118 HA ARG 118 54.626 14.263 -9.497 940 HB2 ARG 118 1HB ARG 118 57.295 14.708 -10.849 941 HB3 ARG 118 2HB ARG 118 55.929 13.848 -11.546 942 HG2 ARG 118 1HG ARG 118 54.626 16.027 -11.200 943 HG3 ARG 118 2HG ARG 118 56.210 16.774 -10.977 944 HD2 ARG 118 1HD ARG 118 55.700 17.050 -13.259 945 HD3 ARG 118 2HD ARG 118 56.856 15.720 -13.193 946 HE ARG 118 HE ARG 118 54.184 14.761 -13.122 947 HH11 ARG 118 1HH1 ARG 118 56.606 16.056 -15.262 948 HH12 ARG 118 2HH1 ARG 118 55.971 15.269 -16.668 949 HH21 ARG 118 1HH2 ARG 118 53.339 13.719 -14.966 950 HH22 ARG 118 2HH2 ARG 118 54.112 13.941 -16.499 951 H ILE 119 H ILE 119 55.341 12.049 -10.536 952 HA ILE 119 HA ILE 119 55.957 10.303 -8.470 953 HB ILE 119 HB ILE 119 56.437 8.622 -10.294 954 HG12 ILE 119 1HG1 ILE 119 55.463 10.713 -12.214 955 HG13 ILE 119 2HG1 ILE 119 57.182 10.573 -11.863 956 HG21 ILE 119 1HG2 ILE 119 53.965 9.262 -11.310 957 HG22 ILE 119 2HG2 ILE 119 54.270 8.336 -9.841 958 HG23 ILE 119 3HG2 ILE 119 53.972 10.072 -9.743 959 HD11 ILE 119 3HD1 ILE 119 56.551 7.996 -12.395 960 HD12 ILE 119 1HD1 ILE 119 55.432 8.850 -13.457 961 HD13 ILE 119 2HD1 ILE 119 57.167 9.145 -13.582 962 H VAL 120 H VAL 120 57.786 9.331 -7.727 963 HA VAL 120 HA VAL 120 60.337 10.135 -8.963 964 HB VAL 120 HB VAL 120 59.982 9.764 -5.995 965 HG11 VAL 120 1HG1 VAL 120 62.232 9.934 -7.606 966 HG12 VAL 120 2HG1 VAL 120 62.070 11.548 -6.912 967 HG13 VAL 120 3HG1 VAL 120 62.173 10.138 -5.856 968 HG21 VAL 120 3HG2 VAL 120 58.573 11.596 -6.460 969 HG22 VAL 120 1HG2 VAL 120 60.102 12.300 -5.933 970 HG23 VAL 120 2HG2 VAL 120 59.695 12.259 -7.649 971 H THR 121 H THR 121 59.271 7.819 -9.766 972 HA THR 121 HA THR 121 60.807 5.781 -8.289 973 HB THR 121 HB THR 121 58.345 5.447 -8.095 974 HG1 THR 121 HG1 THR 121 59.086 3.473 -7.932 975 HG21 THR 121 3HG2 THR 121 58.358 6.089 -10.816 976 HG22 THR 121 1HG2 THR 121 56.980 5.548 -9.858 977 HG23 THR 121 2HG2 THR 121 57.952 4.374 -10.746 978 H LEU 122 H LEU 122 61.564 7.517 -10.571 979 HA LEU 122 HA LEU 122 61.736 5.674 -12.813 980 HB2 LEU 122 1HB LEU 122 61.310 8.176 -13.001 981 HB3 LEU 122 2HB LEU 122 63.014 8.386 -12.605 982 HG LEU 122 HG LEU 122 63.534 6.969 -14.631 983 HD11 LEU 122 1HD1 LEU 122 61.504 5.849 -15.046 984 HD12 LEU 122 2HD1 LEU 122 61.686 7.009 -16.362 985 HD13 LEU 122 3HD1 LEU 122 60.580 7.352 -15.031 986 HD21 LEU 122 3HD2 LEU 122 62.055 9.542 -15.163 987 HD22 LEU 122 1HD2 LEU 122 63.316 8.814 -16.158 988 HD23 LEU 122 2HD2 LEU 122 63.709 9.442 -14.558 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -15.080 -1.368 16.894 2 HA2 GLY 1 1HA GLY 1 -13.240 -2.890 16.237 3 HA3 GLY 1 2HA GLY 1 -12.436 -1.474 15.576 4 H SER 2 H SER 2 -10.890 -2.792 17.182 5 HA SER 2 HA SER 2 -11.088 -1.471 19.810 6 HB2 SER 2 1HB SER 2 -9.339 -3.421 20.337 7 HB3 SER 2 2HB SER 2 -11.081 -3.680 20.433 8 HG SER 2 HG SER 2 -11.004 -4.541 18.330 9 HA PRO 3 HA PRO 3 -7.310 0.655 19.143 10 HB2 PRO 3 1HB PRO 3 -6.113 0.502 21.575 11 HB3 PRO 3 2HB PRO 3 -7.528 1.514 21.262 12 HG2 PRO 3 1HG PRO 3 -7.379 -1.199 22.519 13 HG3 PRO 3 2HG PRO 3 -8.339 0.209 23.008 14 HD2 PRO 3 1HD PRO 3 -9.393 -1.861 21.618 15 HD3 PRO 3 2HD PRO 3 -9.965 -0.192 21.424 16 H PHE 4 H PHE 4 -5.482 0.115 18.136 17 HA PHE 4 HA PHE 4 -4.523 -2.415 17.761 18 HB2 PHE 4 1HB PHE 4 -2.230 -1.124 17.419 19 HB3 PHE 4 2HB PHE 4 -3.569 -0.929 16.293 20 HD1 PHE 4 HD2 PHE 4 -1.890 0.603 19.212 21 HD2 PHE 4 HD1 PHE 4 -4.566 1.164 15.949 22 HE1 PHE 4 HE2 PHE 4 -1.869 3.029 19.617 23 HE2 PHE 4 HE1 PHE 4 -4.548 3.592 16.348 24 HZ PHE 4 HZ PHE 4 -3.200 4.528 18.185 25 H ALA 5 H ALA 5 -3.616 -0.145 20.310 26 HA ALA 5 HA ALA 5 -2.313 -0.372 22.175 27 HB1 ALA 5 1HB ALA 5 -4.168 -1.582 22.995 28 HB2 ALA 5 2HB ALA 5 -3.743 -3.015 22.057 29 HB3 ALA 5 3HB ALA 5 -2.742 -2.527 23.425 30 H ASP 6 H ASP 6 -1.008 -1.018 19.657 31 HA ASP 6 HA ASP 6 0.657 -3.312 20.058 32 HB2 ASP 6 1HB ASP 6 0.470 -1.120 18.054 33 HB3 ASP 6 2HB ASP 6 2.007 -1.971 18.183 34 HA PRO 7 HA PRO 7 3.942 -1.678 22.459 35 HB2 PRO 7 1HB PRO 7 6.131 -2.782 21.292 36 HB3 PRO 7 2HB PRO 7 4.981 -3.717 22.256 37 HG2 PRO 7 1HG PRO 7 5.191 -3.461 19.281 38 HG3 PRO 7 2HG PRO 7 4.903 -4.910 20.261 39 HD2 PRO 7 1HD PRO 7 2.909 -3.593 18.986 40 HD3 PRO 7 2HD PRO 7 2.663 -4.436 20.529 41 H ASN 8 H ASN 8 4.566 0.384 22.442 42 HA ASN 8 HA ASN 8 5.843 1.446 20.007 43 HB2 ASN 8 1HB ASN 8 3.621 2.453 20.491 44 HB3 ASN 8 2HB ASN 8 4.237 2.997 22.049 45 HD21 ASN 8 2HD2 ASN 8 4.751 3.243 18.571 46 HD22 ASN 8 1HD2 ASN 8 5.413 4.838 18.600 47 H SER 9 H SER 9 7.925 0.878 20.715 48 HA SER 9 HA SER 9 8.946 2.586 22.883 49 HB2 SER 9 1HB SER 9 8.956 0.443 23.878 50 HB3 SER 9 2HB SER 9 9.494 -0.338 22.391 51 HG SER 9 HG SER 9 11.319 -0.197 23.530 52 H LEU 10 H LEU 10 10.989 3.455 22.586 53 HA LEU 10 HA LEU 10 12.689 2.724 20.420 54 HB2 LEU 10 1HB LEU 10 12.416 4.511 18.957 55 HB3 LEU 10 2HB LEU 10 10.770 4.017 19.345 56 HG LEU 10 HG LEU 10 12.185 6.358 20.616 57 HD11 LEU 10 1HD1 LEU 10 10.323 7.529 19.149 58 HD12 LEU 10 2HD1 LEU 10 10.575 6.111 18.133 59 HD13 LEU 10 3HD1 LEU 10 11.928 7.179 18.507 60 HD21 LEU 10 3HD2 LEU 10 9.401 5.248 20.768 61 HD22 LEU 10 1HD2 LEU 10 9.746 6.938 21.135 62 HD23 LEU 10 2HD2 LEU 10 10.504 5.657 22.082 63 H ALA 11 H ALA 11 14.719 3.628 20.598 64 HA ALA 11 HA ALA 11 15.157 5.821 22.456 65 HB1 ALA 11 1HB ALA 11 15.520 3.094 23.233 66 HB2 ALA 11 2HB ALA 11 17.084 3.911 23.205 67 HB3 ALA 11 3HB ALA 11 15.766 4.563 24.178 68 H LEU 12 H LEU 12 16.319 7.154 21.227 69 HA LEU 12 HA LEU 12 17.908 6.385 19.043 70 HB2 LEU 12 1HB LEU 12 18.050 8.914 20.677 71 HB3 LEU 12 2HB LEU 12 18.746 8.682 19.075 72 HG LEU 12 HG LEU 12 15.807 8.314 19.452 73 HD11 LEU 12 1HD1 LEU 12 16.531 10.475 20.555 74 HD12 LEU 12 2HD1 LEU 12 15.346 10.616 19.257 75 HD13 LEU 12 3HD1 LEU 12 17.038 11.010 18.952 76 HD21 LEU 12 3HD2 LEU 12 15.691 8.688 17.187 77 HD22 LEU 12 1HD2 LEU 12 17.266 7.904 17.320 78 HD23 LEU 12 2HD2 LEU 12 17.165 9.658 17.160 79 H ALA 13 H ALA 13 20.147 6.278 18.772 80 HA ALA 13 HA ALA 13 21.690 5.964 21.265 81 HB1 ALA 13 1HB ALA 13 21.412 3.796 20.346 82 HB2 ALA 13 2HB ALA 13 21.824 4.357 18.725 83 HB3 ALA 13 3HB ALA 13 23.063 4.296 19.977 84 H ASN 14 H ASN 14 22.261 8.221 21.050 85 HA ASN 14 HA ASN 14 24.297 8.687 18.970 86 HB2 ASN 14 1HB ASN 14 22.589 10.233 18.503 87 HB3 ASN 14 2HB ASN 14 22.287 10.550 20.209 88 HD21 ASN 14 2HD2 ASN 14 23.485 12.059 21.270 89 HD22 ASN 14 1HD2 ASN 14 24.632 13.088 20.490 90 H VAL 15 H VAL 15 26.305 9.149 19.622 91 HA VAL 15 HA VAL 15 26.722 9.749 22.479 92 HB VAL 15 HB VAL 15 29.010 8.695 22.127 93 HG11 VAL 15 1HG1 VAL 15 27.363 7.561 23.433 94 HG12 VAL 15 2HG1 VAL 15 26.506 7.025 21.986 95 HG13 VAL 15 3HG1 VAL 15 28.104 6.377 22.357 96 HG21 VAL 15 3HG2 VAL 15 27.816 7.155 19.879 97 HG22 VAL 15 1HG2 VAL 15 28.515 8.737 19.536 98 HG23 VAL 15 2HG2 VAL 15 29.509 7.472 20.258 99 HA PRO 16 HA PRO 16 28.854 13.422 21.367 100 HB2 PRO 16 1HB PRO 16 30.728 13.559 23.326 101 HB3 PRO 16 2HB PRO 16 29.012 13.869 23.615 102 HG2 PRO 16 1HG PRO 16 30.601 11.385 24.131 103 HG3 PRO 16 2HG PRO 16 29.381 12.166 25.154 104 HD2 PRO 16 1HD PRO 16 28.831 10.001 23.623 105 HD3 PRO 16 2HD PRO 16 27.625 11.257 23.969 106 H LEU 17 H LEU 17 31.300 14.252 21.328 107 HA LEU 17 HA LEU 17 33.123 12.200 20.363 108 HB2 LEU 17 1HB LEU 17 33.577 13.603 18.303 109 HB3 LEU 17 2HB LEU 17 32.083 12.669 18.319 110 HG LEU 17 HG LEU 17 31.983 15.519 19.181 111 HD11 LEU 17 1HD1 LEU 17 33.308 15.094 16.922 112 HD12 LEU 17 2HD1 LEU 17 32.174 16.431 17.110 113 HD13 LEU 17 3HD1 LEU 17 31.668 14.955 16.288 114 HD21 LEU 17 3HD2 LEU 17 30.166 13.442 18.108 115 HD22 LEU 17 1HD2 LEU 17 29.843 15.112 17.642 116 HD23 LEU 17 2HD2 LEU 17 29.888 14.666 19.348 117 H SER 18 H SER 18 35.245 12.714 20.645 118 HA SER 18 HA SER 18 35.908 15.462 21.441 119 HB2 SER 18 1HB SER 18 36.867 13.005 22.926 120 HB3 SER 18 2HB SER 18 37.216 14.686 23.330 121 HG SER 18 HG SER 18 35.506 13.777 24.590 122 H ARG 19 H ARG 19 38.143 16.018 21.203 123 HA ARG 19 HA ARG 19 39.992 14.197 19.995 124 HB2 ARG 19 1HB ARG 19 40.221 15.585 17.883 125 HB3 ARG 19 2HB ARG 19 38.795 14.562 17.986 126 HG2 ARG 19 1HG ARG 19 37.382 16.394 18.406 127 HG3 ARG 19 2HG ARG 19 38.743 17.463 18.752 128 HD2 ARG 19 1HD ARG 19 37.875 17.975 16.566 129 HD3 ARG 19 2HD ARG 19 39.465 17.232 16.396 130 HE ARG 19 HE ARG 19 37.515 15.228 16.221 131 HH11 ARG 19 1HH1 ARG 19 38.671 17.985 14.436 132 HH12 ARG 19 2HH1 ARG 19 38.217 17.340 12.893 133 HH21 ARG 19 1HH2 ARG 19 36.913 14.369 14.195 134 HH22 ARG 19 2HH2 ARG 19 37.216 15.284 12.757 135 H SER 20 H SER 20 42.013 14.830 20.438 136 HA SER 20 HA SER 20 42.709 17.626 20.666 137 HB2 SER 20 1HB SER 20 41.854 17.310 22.892 138 HB3 SER 20 2HB SER 20 42.743 15.798 23.076 139 HG SER 20 HG SER 20 43.852 18.399 22.821 140 H LYS 21 H LYS 21 44.827 17.981 20.248 141 HA LYS 21 HA LYS 21 46.548 15.604 19.970 142 HB2 LYS 21 1HB LYS 21 47.743 16.928 18.197 143 HB3 LYS 21 2HB LYS 21 46.099 16.458 17.787 144 HG2 LYS 21 1HG LYS 21 45.301 18.686 18.308 145 HG3 LYS 21 2HG LYS 21 46.924 19.170 18.806 146 HD2 LYS 21 1HD LYS 21 47.689 18.581 16.476 147 HD3 LYS 21 2HD LYS 21 45.985 18.414 16.044 148 HE2 LYS 21 1HE LYS 21 46.603 20.607 15.423 149 HE3 LYS 21 2HE LYS 21 45.670 20.769 16.910 150 HZ1 LYS 21 3HZ LYS 21 48.594 20.551 17.075 151 HZ2 LYS 21 1HZ LYS 21 47.515 21.336 18.116 152 HZ3 LYS 21 2HZ LYS 21 47.907 22.030 16.624 153 H ARG 22 H ARG 22 48.494 15.612 20.947 154 HA ARG 22 HA ARG 22 49.595 18.128 21.945 155 HB2 ARG 22 1HB ARG 22 48.824 15.766 23.643 156 HB3 ARG 22 2HB ARG 22 50.083 16.884 24.149 157 HG2 ARG 22 1HG ARG 22 48.615 18.593 24.522 158 HG3 ARG 22 2HG ARG 22 47.452 17.998 23.334 159 HD2 ARG 22 1HD ARG 22 46.996 16.081 24.891 160 HD3 ARG 22 2HD ARG 22 47.985 16.911 26.092 161 HE ARG 22 HE ARG 22 45.858 18.520 25.014 162 HH11 ARG 22 1HH1 ARG 22 46.756 16.203 27.452 163 HH12 ARG 22 2HH1 ARG 22 45.495 16.667 28.544 164 HH21 ARG 22 1HH2 ARG 22 44.192 19.141 26.444 165 HH22 ARG 22 2HH2 ARG 22 44.036 18.338 27.970 166 HA PRO 23 HA PRO 23 52.744 15.269 20.076 167 HB2 PRO 23 1HB PRO 23 53.901 17.177 18.530 168 HB3 PRO 23 2HB PRO 23 52.501 16.234 18.005 169 HG2 PRO 23 1HG PRO 23 52.603 19.003 19.138 170 HG3 PRO 23 2HG PRO 23 51.649 18.385 17.776 171 HD2 PRO 23 1HD PRO 23 50.596 18.756 20.243 172 HD3 PRO 23 2HD PRO 23 50.045 17.467 19.153 173 H ASP 24 H ASP 24 55.221 16.033 19.731 174 HA ASP 24 HA ASP 24 56.049 17.728 21.966 175 HB2 ASP 24 1HB ASP 24 55.950 15.255 22.641 176 HB3 ASP 24 2HB ASP 24 57.318 15.026 21.556 177 H PHE 25 H PHE 25 58.456 18.119 21.908 178 HA PHE 25 HA PHE 25 59.558 17.946 19.196 179 HB2 PHE 25 1HB PHE 25 58.400 20.225 19.846 180 HB3 PHE 25 2HB PHE 25 59.906 20.498 20.717 181 HD1 PHE 25 HD1 PHE 25 58.938 19.138 17.374 182 HD2 PHE 25 HD2 PHE 25 61.402 21.808 19.592 183 HE1 PHE 25 HE1 PHE 25 60.004 19.885 15.286 184 HE2 PHE 25 HE2 PHE 25 62.471 22.559 17.508 185 HZ PHE 25 HZ PHE 25 61.772 21.598 15.351 186 H GLY 26 H GLY 26 61.917 18.641 19.183 187 HA2 GLY 26 1HA GLY 26 63.635 18.952 21.220 188 HA3 GLY 26 2HA GLY 26 63.242 17.245 21.355 189 H GLN 27 H GLN 27 64.873 19.680 19.487 190 HA GLN 27 HA GLN 27 66.700 17.780 18.417 191 HB2 GLN 27 1HB GLN 27 66.188 18.187 16.019 192 HB3 GLN 27 2HB GLN 27 64.924 17.299 16.859 193 HG2 GLN 27 1HG GLN 27 63.736 19.510 17.139 194 HG3 GLN 27 2HG GLN 27 64.910 20.176 16.006 195 HE21 GLN 27 2HE2 GLN 27 62.800 17.332 16.284 196 HE22 GLN 27 1HE2 GLN 27 62.229 17.386 14.655 197 H ARG 28 H ARG 28 68.590 18.749 17.945 198 HA ARG 28 HA ARG 28 68.635 21.596 17.303 199 HB2 ARG 28 1HB ARG 28 70.294 22.093 19.019 200 HB3 ARG 28 2HB ARG 28 68.815 21.489 19.751 201 HG2 ARG 28 1HG ARG 28 69.946 19.214 19.794 202 HG3 ARG 28 2HG ARG 28 71.439 20.077 19.419 203 HD2 ARG 28 1HD ARG 28 69.669 20.780 21.749 204 HD3 ARG 28 2HD ARG 28 71.001 19.631 21.865 205 HE ARG 28 HE ARG 28 71.196 22.467 21.836 206 HH11 ARG 28 1HH1 ARG 28 72.816 19.559 20.815 207 HH12 ARG 28 2HH1 ARG 28 74.393 20.277 20.830 208 HH21 ARG 28 1HH2 ARG 28 73.267 23.423 21.859 209 HH22 ARG 28 2HH2 ARG 28 74.648 22.475 21.425 210 H ARG 29 H ARG 29 70.499 22.275 16.217 211 HA ARG 29 HA ARG 29 72.342 20.122 15.414 212 HB2 ARG 29 1HB ARG 29 70.551 21.064 13.712 213 HB3 ARG 29 2HB ARG 29 71.724 22.363 13.541 214 HG2 ARG 29 1HG ARG 29 72.146 20.775 11.827 215 HG3 ARG 29 2HG ARG 29 73.445 20.634 13.013 216 HD2 ARG 29 1HD ARG 29 72.668 18.437 12.289 217 HD3 ARG 29 2HD ARG 29 72.342 18.696 14.002 218 HE ARG 29 HE ARG 29 70.052 19.469 12.703 219 HH11 ARG 29 1HH1 ARG 29 71.959 16.563 12.903 220 HH12 ARG 29 2HH1 ARG 29 70.609 15.505 12.662 221 HH21 ARG 29 1HH2 ARG 29 68.266 18.086 12.384 222 HH22 ARG 29 2HH2 ARG 29 68.509 16.372 12.366 223 H ILE 30 H ILE 30 74.462 20.870 14.679 224 HA ILE 30 HA ILE 30 75.291 23.276 16.155 225 HB ILE 30 HB ILE 30 77.074 21.031 15.219 226 HG12 ILE 30 1HG1 ILE 30 75.454 20.127 16.797 227 HG13 ILE 30 2HG1 ILE 30 77.031 20.251 17.570 228 HG21 ILE 30 1HG2 ILE 30 78.424 22.881 15.599 229 HG22 ILE 30 2HG2 ILE 30 77.444 23.442 16.952 230 HG23 ILE 30 3HG2 ILE 30 78.480 22.028 17.142 231 HD11 ILE 30 3HD1 ILE 30 76.044 21.331 19.225 232 HD12 ILE 30 1HD1 ILE 30 75.749 22.667 18.113 233 HD13 ILE 30 2HD1 ILE 30 74.525 21.416 18.333 234 H ARG 31 H ARG 31 76.765 24.735 15.215 235 HA ARG 31 HA ARG 31 76.876 24.604 12.273 236 HB2 ARG 31 1HB ARG 31 77.150 27.178 12.548 237 HB3 ARG 31 2HB ARG 31 75.550 26.460 12.685 238 HG2 ARG 31 1HG ARG 31 75.833 28.088 14.420 239 HG3 ARG 31 2HG ARG 31 75.796 26.479 15.145 240 HD2 ARG 31 1HD ARG 31 78.189 26.472 15.377 241 HD3 ARG 31 2HD ARG 31 78.320 27.989 14.489 242 HE ARG 31 HE ARG 31 76.679 28.243 16.807 243 HH11 ARG 31 1HH1 ARG 31 79.979 28.134 15.706 244 HH12 ARG 31 2HH1 ARG 31 80.592 29.056 17.039 245 HH21 ARG 31 1HH2 ARG 31 77.472 29.458 18.567 246 HH22 ARG 31 2HH2 ARG 31 79.165 29.808 18.666 247 H ARG 32 H ARG 32 78.686 26.291 11.523 248 HA ARG 32 HA ARG 32 81.132 25.557 12.994 249 HB2 ARG 32 1HB ARG 32 80.493 25.637 10.086 250 HB3 ARG 32 2HB ARG 32 82.123 26.075 10.577 251 HG2 ARG 32 1HG ARG 32 82.442 23.857 10.281 252 HG3 ARG 32 2HG ARG 32 81.893 23.817 11.958 253 HD2 ARG 32 1HD ARG 32 79.822 23.697 9.840 254 HD3 ARG 32 2HD ARG 32 80.836 22.272 10.061 255 HE ARG 32 HE ARG 32 78.757 23.182 11.790 256 HH11 ARG 32 1HH1 ARG 32 81.810 21.512 11.709 257 HH12 ARG 32 2HH1 ARG 32 81.502 20.609 13.155 258 HH21 ARG 32 1HH2 ARG 32 78.339 21.999 13.694 259 HH22 ARG 32 2HH2 ARG 32 79.527 20.886 14.283 260 HA PRO 33 HA PRO 33 82.222 29.780 13.462 261 HB2 PRO 33 1HB PRO 33 84.902 29.749 13.029 262 HB3 PRO 33 2HB PRO 33 84.155 29.072 14.482 263 HG2 PRO 33 1HG PRO 33 85.102 27.673 12.010 264 HG3 PRO 33 2HG PRO 33 85.305 27.205 13.708 265 HD2 PRO 33 1HD PRO 33 83.419 26.102 12.108 266 HD3 PRO 33 2HD PRO 33 83.177 26.330 13.852 267 H PHE 34 H PHE 34 81.102 30.662 11.660 268 HA PHE 34 HA PHE 34 82.807 31.199 9.318 269 HB2 PHE 34 1HB PHE 34 80.457 31.684 8.246 270 HB3 PHE 34 2HB PHE 34 81.044 30.030 8.386 271 HD1 PHE 34 HD1 PHE 34 79.319 32.426 10.674 272 HD2 PHE 34 HD2 PHE 34 79.383 28.551 8.914 273 HE1 PHE 34 HE1 PHE 34 77.296 31.822 11.938 274 HE2 PHE 34 HE2 PHE 34 77.360 27.941 10.174 275 HZ PHE 34 HZ PHE 34 76.313 29.577 11.688 276 H THR 35 H THR 35 82.342 33.282 8.219 277 HA THR 35 HA THR 35 81.876 35.377 10.229 278 HB THR 35 HB THR 35 83.162 35.844 7.550 279 HG1 THR 35 HG1 THR 35 85.181 35.546 8.743 280 HG21 THR 35 3HG2 THR 35 82.568 37.843 8.721 281 HG22 THR 35 1HG2 THR 35 84.312 37.640 8.875 282 HG23 THR 35 2HG2 THR 35 83.254 37.233 10.226 283 H VAL 36 H VAL 36 80.762 37.326 9.561 284 HA VAL 36 HA VAL 36 78.271 36.903 8.451 285 HB VAL 36 HB VAL 36 78.719 38.867 9.787 286 HG11 VAL 36 1HG1 VAL 36 81.043 39.205 8.909 287 HG12 VAL 36 2HG1 VAL 36 80.325 39.967 7.488 288 HG13 VAL 36 3HG1 VAL 36 80.094 40.680 9.085 289 HG21 VAL 36 3HG2 VAL 36 78.096 40.257 7.282 290 HG22 VAL 36 1HG2 VAL 36 77.136 38.806 7.573 291 HG23 VAL 36 2HG2 VAL 36 77.150 40.107 8.763 292 H ALA 37 H ALA 37 81.262 37.869 6.868 293 HA ALA 37 HA ALA 37 80.066 38.445 4.341 294 HB1 ALA 37 1HB ALA 37 82.686 38.561 5.505 295 HB2 ALA 37 2HB ALA 37 82.759 37.791 3.920 296 HB3 ALA 37 3HB ALA 37 82.054 39.399 4.088 297 H GLU 38 H GLU 38 81.904 35.673 5.609 298 HA GLU 38 HA GLU 38 81.847 34.111 3.292 299 HB2 GLU 38 1HB GLU 38 82.096 33.456 6.212 300 HB3 GLU 38 2HB GLU 38 82.014 32.172 5.013 301 HG2 GLU 38 1HG GLU 38 84.265 32.415 5.165 302 HG3 GLU 38 2HG GLU 38 83.931 33.569 3.875 303 H VAL 39 H VAL 39 79.586 34.249 6.021 304 HA VAL 39 HA VAL 39 77.865 32.206 5.080 305 HB VAL 39 HB VAL 39 77.232 34.505 6.937 306 HG11 VAL 39 1HG1 VAL 39 75.547 32.663 7.749 307 HG12 VAL 39 2HG1 VAL 39 75.144 33.718 6.393 308 HG13 VAL 39 3HG1 VAL 39 75.721 32.077 6.095 309 HG21 VAL 39 3HG2 VAL 39 78.680 33.471 8.293 310 HG22 VAL 39 1HG2 VAL 39 77.444 32.223 8.449 311 HG23 VAL 39 2HG2 VAL 39 78.745 32.033 7.274 312 H GLU 40 H GLU 40 77.852 35.726 4.720 313 HA GLU 40 HA GLU 40 75.366 36.040 3.513 314 HB2 GLU 40 1HB GLU 40 77.912 37.577 3.515 315 HB3 GLU 40 2HB GLU 40 76.727 37.984 2.282 316 HG2 GLU 40 1HG GLU 40 75.139 38.649 3.855 317 HG3 GLU 40 2HG GLU 40 75.967 37.822 5.173 318 H LEU 41 H LEU 41 78.529 35.468 1.990 319 HA LEU 41 HA LEU 41 77.582 35.433 -0.664 320 HB2 LEU 41 1HB LEU 41 79.972 33.941 0.394 321 HB3 LEU 41 2HB LEU 41 79.701 34.502 -1.255 322 HG LEU 41 HG LEU 41 79.798 36.562 0.876 323 HD11 LEU 41 1HD1 LEU 41 81.848 36.133 1.596 324 HD12 LEU 41 2HD1 LEU 41 82.452 36.092 -0.059 325 HD13 LEU 41 3HD1 LEU 41 81.832 34.620 0.690 326 HD21 LEU 41 3HD2 LEU 41 80.789 37.872 -0.853 327 HD22 LEU 41 1HD2 LEU 41 79.415 37.017 -1.555 328 HD23 LEU 41 2HD2 LEU 41 81.056 36.448 -1.859 329 H LEU 42 H LEU 42 78.246 32.797 1.628 330 HA LEU 42 HA LEU 42 77.620 30.655 -0.035 331 HB2 LEU 42 1HB LEU 42 78.500 29.819 1.853 332 HB3 LEU 42 2HB LEU 42 77.852 31.121 2.848 333 HG LEU 42 HG LEU 42 75.661 29.966 2.859 334 HD11 LEU 42 1HD1 LEU 42 75.288 28.457 1.269 335 HD12 LEU 42 2HD1 LEU 42 76.311 27.359 2.194 336 HD13 LEU 42 3HD1 LEU 42 77.005 28.322 0.890 337 HD21 LEU 42 3HD2 LEU 42 77.896 29.443 4.357 338 HD22 LEU 42 1HD2 LEU 42 77.391 27.832 3.845 339 HD23 LEU 42 2HD2 LEU 42 76.265 28.874 4.715 340 H VAL 43 H VAL 43 75.507 32.440 2.203 341 HA VAL 43 HA VAL 43 73.160 30.989 1.579 342 HB VAL 43 HB VAL 43 73.445 33.778 2.706 343 HG11 VAL 43 1HG1 VAL 43 71.055 31.937 2.730 344 HG12 VAL 43 2HG1 VAL 43 71.155 33.534 3.475 345 HG13 VAL 43 3HG1 VAL 43 71.229 33.372 1.720 346 HG21 VAL 43 3HG2 VAL 43 74.459 31.774 3.949 347 HG22 VAL 43 1HG2 VAL 43 73.369 32.834 4.843 348 HG23 VAL 43 2HG2 VAL 43 72.791 31.282 4.239 349 H GLU 44 H GLU 44 74.526 34.007 0.336 350 HA GLU 44 HA GLU 44 72.340 34.701 -1.312 351 HB2 GLU 44 1HB GLU 44 74.078 36.308 -0.664 352 HB3 GLU 44 2HB GLU 44 75.264 35.412 -1.603 353 HG2 GLU 44 1HG GLU 44 74.704 37.171 -2.992 354 HG3 GLU 44 2HG GLU 44 73.711 35.848 -3.600 355 H ALA 45 H ALA 45 75.006 32.507 -1.711 356 HA ALA 45 HA ALA 45 74.798 32.262 -4.553 357 HB1 ALA 45 1HB ALA 45 75.962 30.067 -2.928 358 HB2 ALA 45 2HB ALA 45 76.549 30.811 -4.416 359 HB3 ALA 45 3HB ALA 45 76.751 31.643 -2.875 360 H VAL 46 H VAL 46 73.749 30.241 -1.818 361 HA VAL 46 HA VAL 46 72.431 28.325 -3.475 362 HB VAL 46 HB VAL 46 73.238 27.681 -1.275 363 HG11 VAL 46 1HG1 VAL 46 72.166 28.492 0.767 364 HG12 VAL 46 2HG1 VAL 46 72.921 29.813 -0.128 365 HG13 VAL 46 3HG1 VAL 46 71.172 29.592 -0.188 366 HG21 VAL 46 3HG2 VAL 46 71.640 26.138 -1.205 367 HG22 VAL 46 1HG2 VAL 46 70.479 27.310 -0.581 368 HG23 VAL 46 2HG2 VAL 46 70.693 27.121 -2.321 369 H GLU 47 H GLU 47 71.455 31.241 -1.788 370 HA GLU 47 HA GLU 47 68.650 30.840 -2.071 371 HB2 GLU 47 1HB GLU 47 69.523 32.335 -0.364 372 HB3 GLU 47 2HB GLU 47 70.252 33.358 -1.594 373 HG2 GLU 47 1HG GLU 47 68.076 33.994 -2.415 374 HG3 GLU 47 2HG GLU 47 67.296 32.884 -1.290 375 H HIS 48 H HIS 48 71.038 32.750 -3.877 376 HA HIS 48 HA HIS 48 69.385 33.989 -5.701 377 HB2 HIS 48 1HB HIS 48 71.810 34.408 -5.520 378 HB3 HIS 48 2HB HIS 48 72.129 32.837 -6.249 379 HD1 HIS 48 HD1 HIS 48 71.653 36.323 -7.089 380 HD2 HIS 48 HD2 HIS 48 71.090 32.681 -9.009 381 HE1 HIS 48 HE1 HIS 48 71.503 36.870 -9.539 382 H LEU 49 H LEU 49 70.419 30.656 -5.588 383 HA LEU 49 HA LEU 49 69.118 30.121 -8.162 384 HB2 LEU 49 1HB LEU 49 70.716 28.190 -6.499 385 HB3 LEU 49 2HB LEU 49 70.268 28.043 -8.197 386 HG LEU 49 HG LEU 49 72.058 30.266 -7.291 387 HD11 LEU 49 1HD1 LEU 49 73.408 28.639 -6.467 388 HD12 LEU 49 2HD1 LEU 49 73.860 28.520 -8.167 389 HD13 LEU 49 3HD1 LEU 49 72.702 27.381 -7.480 390 HD21 LEU 49 3HD2 LEU 49 71.428 28.854 -9.853 391 HD22 LEU 49 1HD2 LEU 49 72.955 29.714 -9.656 392 HD23 LEU 49 2HD2 LEU 49 71.428 30.582 -9.498 393 H GLY 50 H GLY 50 68.595 29.911 -4.815 394 HA2 GLY 50 1HA GLY 50 66.731 29.198 -3.658 395 HA3 GLY 50 2HA GLY 50 66.013 28.734 -5.193 396 H THR 51 H THR 51 65.781 26.633 -5.592 397 HA THR 51 HA THR 51 67.324 24.741 -3.938 398 HB THR 51 HB THR 51 65.069 24.544 -3.242 399 HG1 THR 51 HG1 THR 51 65.675 22.486 -3.455 400 HG21 THR 51 3HG2 THR 51 63.381 23.901 -5.210 401 HG22 THR 51 1HG2 THR 51 64.480 24.935 -6.123 402 HG23 THR 51 2HG2 THR 51 63.650 25.568 -4.701 403 H GLY 52 H GLY 52 68.965 24.689 -5.584 404 HA2 GLY 52 1HA GLY 52 68.226 22.883 -7.787 405 HA3 GLY 52 2HA GLY 52 69.133 24.347 -8.140 406 H ARG 53 H ARG 53 70.665 22.747 -9.045 407 HA ARG 53 HA ARG 53 72.027 20.824 -7.611 408 HB2 ARG 53 1HB ARG 53 73.066 22.670 -9.767 409 HB3 ARG 53 2HB ARG 53 73.926 21.251 -9.182 410 HG2 ARG 53 1HG ARG 53 71.161 21.111 -10.347 411 HG3 ARG 53 2HG ARG 53 72.626 20.969 -11.321 412 HD2 ARG 53 1HD ARG 53 73.319 19.024 -10.096 413 HD3 ARG 53 2HD ARG 53 71.992 19.219 -8.952 414 HE ARG 53 HE ARG 53 71.878 17.958 -11.504 415 HH11 ARG 53 1HH1 ARG 53 70.027 19.827 -9.223 416 HH12 ARG 53 2HH1 ARG 53 68.499 19.217 -9.765 417 HH21 ARG 53 1HH2 ARG 53 69.871 17.148 -12.227 418 HH22 ARG 53 2HH2 ARG 53 68.411 17.693 -11.473 419 H TRP 54 H TRP 54 73.925 20.790 -6.395 420 HA TRP 54 HA TRP 54 74.310 23.040 -4.687 421 HB2 TRP 54 1HB TRP 54 76.217 20.722 -4.854 422 HB3 TRP 54 2HB TRP 54 75.755 21.674 -3.446 423 HD1 TRP 54 HD1 TRP 54 75.499 18.351 -4.094 424 HE1 TRP 54 HE1 TRP 54 73.259 17.266 -3.437 425 HE3 TRP 54 HE3 TRP 54 72.609 22.559 -3.819 426 HZ2 TRP 54 HZ2 TRP 54 70.617 18.086 -2.878 427 HZ3 TRP 54 HZ3 TRP 54 70.235 22.322 -3.218 428 HH2 TRP 54 HH2 TRP 54 69.261 20.131 -2.758 429 H ARG 55 H ARG 55 76.173 21.586 -7.319 430 HA ARG 55 HA ARG 55 78.510 23.067 -7.103 431 HB2 ARG 55 1HB ARG 55 78.844 22.602 -9.490 432 HB3 ARG 55 2HB ARG 55 78.281 21.176 -8.629 433 HG2 ARG 55 1HG ARG 55 75.988 21.653 -9.444 434 HG3 ARG 55 2HG ARG 55 76.650 22.978 -10.403 435 HD2 ARG 55 1HD ARG 55 76.693 21.332 -11.976 436 HD3 ARG 55 2HD ARG 55 78.275 21.066 -11.245 437 HE ARG 55 HE ARG 55 76.147 19.544 -10.042 438 HH11 ARG 55 1HH1 ARG 55 78.561 19.638 -12.548 439 HH12 ARG 55 2HH1 ARG 55 78.643 17.915 -12.715 440 HH21 ARG 55 1HH2 ARG 55 76.245 17.275 -10.251 441 HH22 ARG 55 2HH2 ARG 55 77.324 16.572 -11.409 442 H ASP 56 H ASP 56 75.376 23.994 -8.292 443 HA ASP 56 HA ASP 56 76.144 26.287 -9.754 444 HB2 ASP 56 1HB ASP 56 73.537 25.670 -8.347 445 HB3 ASP 56 2HB ASP 56 73.775 26.971 -9.510 446 H VAL 57 H VAL 57 75.144 25.835 -6.382 447 HA VAL 57 HA VAL 57 75.320 28.601 -5.710 448 HB VAL 57 HB VAL 57 74.650 28.019 -3.611 449 HG11 VAL 57 1HG1 VAL 57 74.010 25.369 -4.870 450 HG12 VAL 57 2HG1 VAL 57 73.051 26.306 -3.722 451 HG13 VAL 57 3HG1 VAL 57 73.226 26.861 -5.387 452 HG21 VAL 57 3HG2 VAL 57 76.525 26.968 -2.724 453 HG22 VAL 57 1HG2 VAL 57 75.283 25.720 -2.619 454 HG23 VAL 57 2HG2 VAL 57 76.480 25.666 -3.913 455 H LYS 58 H LYS 58 77.578 25.972 -5.842 456 HA LYS 58 HA LYS 58 79.554 27.066 -4.121 457 HB2 LYS 58 1HB LYS 58 79.653 24.730 -4.581 458 HB3 LYS 58 2HB LYS 58 79.665 25.003 -6.318 459 HG2 LYS 58 1HG LYS 58 81.880 25.350 -6.378 460 HG3 LYS 58 2HG LYS 58 81.884 26.252 -4.861 461 HD2 LYS 58 1HD LYS 58 82.158 24.367 -3.584 462 HD3 LYS 58 2HD LYS 58 81.368 23.321 -4.766 463 HE2 LYS 58 1HE LYS 58 84.094 24.568 -5.106 464 HE3 LYS 58 2HE LYS 58 83.801 22.913 -4.574 465 HZ1 LYS 58 3HZ LYS 58 83.646 24.054 -7.226 466 HZ2 LYS 58 1HZ LYS 58 82.367 23.018 -6.833 467 HZ3 LYS 58 2HZ LYS 58 83.962 22.462 -6.748 468 H PHE 59 H PHE 59 79.142 27.091 -7.651 469 HA PHE 59 HA PHE 59 81.467 28.673 -8.125 470 HB2 PHE 59 1HB PHE 59 79.079 28.195 -9.920 471 HB3 PHE 59 2HB PHE 59 80.639 28.838 -10.424 472 HD1 PHE 59 HD1 PHE 59 82.492 27.069 -8.980 473 HD2 PHE 59 HD2 PHE 59 78.881 26.184 -11.053 474 HE1 PHE 59 HE1 PHE 59 83.298 24.783 -9.401 475 HE2 PHE 59 HE2 PHE 59 79.681 23.896 -11.476 476 HZ PHE 59 HZ PHE 59 81.891 23.193 -10.650 477 H ARG 60 H ARG 60 78.062 29.355 -7.628 478 HA ARG 60 HA ARG 60 78.254 32.119 -8.367 479 HB2 ARG 60 1HB ARG 60 76.138 30.900 -8.561 480 HB3 ARG 60 2HB ARG 60 76.117 30.640 -6.822 481 HG2 ARG 60 1HG ARG 60 75.470 32.769 -6.369 482 HG3 ARG 60 2HG ARG 60 76.292 33.437 -7.780 483 HD2 ARG 60 1HD ARG 60 73.736 31.837 -7.803 484 HD3 ARG 60 2HD ARG 60 73.868 33.581 -8.020 485 HE ARG 60 HE ARG 60 74.357 31.553 -9.985 486 HH11 ARG 60 1HH1 ARG 60 75.148 34.794 -8.989 487 HH12 ARG 60 2HH1 ARG 60 75.587 35.316 -10.582 488 HH21 ARG 60 1HH2 ARG 60 74.932 32.229 -12.087 489 HH22 ARG 60 2HH2 ARG 60 75.463 33.856 -12.343 490 H ALA 61 H ALA 61 78.779 30.276 -5.491 491 HA ALA 61 HA ALA 61 78.452 32.376 -3.604 492 HB1 ALA 61 1HB ALA 61 79.510 29.622 -3.577 493 HB2 ALA 61 2HB ALA 61 80.120 30.705 -2.326 494 HB3 ALA 61 3HB ALA 61 78.387 30.420 -2.476 495 H PHE 62 H PHE 62 81.500 30.720 -4.412 496 HA PHE 62 HA PHE 62 82.879 33.111 -5.093 497 HB2 PHE 62 1HB PHE 62 84.489 32.721 -3.008 498 HB3 PHE 62 2HB PHE 62 83.098 33.796 -2.918 499 HD1 PHE 62 HD1 PHE 62 84.381 30.468 -2.017 500 HD2 PHE 62 HD2 PHE 62 81.239 33.297 -1.527 501 HE1 PHE 62 HE1 PHE 62 83.495 29.153 -0.135 502 HE2 PHE 62 HE2 PHE 62 80.349 31.988 0.357 503 HZ PHE 62 HZ PHE 62 81.478 29.914 1.056 504 H GLU 63 H GLU 63 83.827 32.105 -6.782 505 HA GLU 63 HA GLU 63 84.956 29.478 -6.583 506 HB2 GLU 63 1HB GLU 63 83.980 30.360 -8.681 507 HB3 GLU 63 2HB GLU 63 85.276 31.545 -8.765 508 HG2 GLU 63 1HG GLU 63 86.883 29.944 -9.250 509 HG3 GLU 63 2HG GLU 63 85.890 28.622 -8.639 510 H ASN 64 H ASN 64 85.999 32.414 -5.497 511 HA ASN 64 HA ASN 64 88.788 32.193 -6.165 512 HB2 ASN 64 1HB ASN 64 87.496 34.352 -5.667 513 HB3 ASN 64 2HB ASN 64 87.632 33.905 -3.969 514 HD21 ASN 64 2HD2 ASN 64 89.322 34.661 -2.930 515 HD22 ASN 64 1HD2 ASN 64 90.804 35.191 -3.643 516 H VAL 65 H VAL 65 86.860 31.759 -3.208 517 HA VAL 65 HA VAL 65 88.936 31.017 -1.499 518 HB VAL 65 HB VAL 65 86.135 29.907 -1.359 519 HG11 VAL 65 1HG1 VAL 65 86.815 30.372 1.171 520 HG12 VAL 65 2HG1 VAL 65 87.215 28.862 0.349 521 HG13 VAL 65 3HG1 VAL 65 88.430 30.132 0.505 522 HG21 VAL 65 3HG2 VAL 65 85.826 31.971 0.179 523 HG22 VAL 65 1HG2 VAL 65 87.180 32.640 -0.732 524 HG23 VAL 65 2HG2 VAL 65 85.698 32.175 -1.568 525 H HIS 66 H HIS 66 89.579 28.947 -0.708 526 HA HIS 66 HA HIS 66 89.014 26.681 -2.486 527 HB2 HIS 66 1HB HIS 66 91.771 27.520 -1.567 528 HB3 HIS 66 2HB HIS 66 91.399 26.051 -2.466 529 HD1 HIS 66 HD1 HIS 66 92.604 29.347 -2.990 530 HD2 HIS 66 HD2 HIS 66 90.053 26.818 -5.077 531 HE1 HIS 66 HE1 HIS 66 92.550 30.238 -5.341 532 H HIS 67 H HIS 67 87.768 27.004 -0.090 533 HA HIS 67 HA HIS 67 88.751 24.708 1.377 534 HB2 HIS 67 1HB HIS 67 88.437 27.404 2.712 535 HB3 HIS 67 2HB HIS 67 88.679 25.882 3.564 536 HD1 HIS 67 HD1 HIS 67 90.477 28.506 1.656 537 HD2 HIS 67 HD2 HIS 67 91.290 24.798 3.345 538 HE1 HIS 67 HE1 HIS 67 92.985 28.316 1.687 539 H ARG 68 H ARG 68 86.469 25.083 -0.217 540 HA ARG 68 HA ARG 68 84.421 24.399 1.707 541 HB2 ARG 68 1HB ARG 68 84.476 26.990 0.331 542 HB3 ARG 68 2HB ARG 68 82.962 26.116 0.139 543 HG2 ARG 68 1HG ARG 68 82.431 27.157 2.055 544 HG3 ARG 68 2HG ARG 68 83.335 25.831 2.788 545 HD2 ARG 68 1HD ARG 68 84.450 27.517 3.792 546 HD3 ARG 68 2HD ARG 68 85.350 27.533 2.276 547 HE ARG 68 HE ARG 68 83.102 29.213 2.055 548 HH11 ARG 68 1HH1 ARG 68 86.200 29.037 3.632 549 HH12 ARG 68 2HH1 ARG 68 86.405 30.755 3.710 550 HH21 ARG 68 1HH2 ARG 68 83.359 31.478 2.152 551 HH22 ARG 68 2HH2 ARG 68 84.787 32.143 2.869 552 H THR 69 H THR 69 82.638 23.305 0.777 553 HA THR 69 HA THR 69 83.034 22.502 -2.032 554 HB THR 69 HB THR 69 81.875 20.669 0.058 555 HG1 THR 69 HG1 THR 69 84.549 21.283 -0.500 556 HG21 THR 69 3HG2 THR 69 82.713 18.957 -1.608 557 HG22 THR 69 1HG2 THR 69 83.008 20.301 -2.710 558 HG23 THR 69 2HG2 THR 69 81.370 19.962 -2.152 559 H TYR 70 H TYR 70 81.182 22.096 -3.265 560 HA TYR 70 HA TYR 70 79.024 23.768 -2.945 561 HB2 TYR 70 1HB TYR 70 77.825 22.146 -4.517 562 HB3 TYR 70 2HB TYR 70 79.347 22.823 -5.084 563 HD1 TYR 70 HD1 TYR 70 77.677 19.791 -3.854 564 HD2 TYR 70 HD2 TYR 70 81.290 21.429 -5.391 565 HE1 TYR 70 HE1 TYR 70 78.536 17.519 -4.239 566 HE2 TYR 70 HE2 TYR 70 82.159 19.162 -5.782 567 HH TYR 70 HH TYR 70 81.689 16.807 -4.743 568 H VAL 71 H VAL 71 79.326 20.390 -1.923 569 HA VAL 71 HA VAL 71 76.687 20.076 -0.987 570 HB VAL 71 HB VAL 71 78.102 18.145 -1.383 571 HG11 VAL 71 1HG1 VAL 71 80.231 19.196 -0.688 572 HG12 VAL 71 2HG1 VAL 71 79.727 19.039 0.996 573 HG13 VAL 71 3HG1 VAL 71 79.990 17.597 0.014 574 HG21 VAL 71 3HG2 VAL 71 77.909 17.560 1.394 575 HG22 VAL 71 1HG2 VAL 71 76.542 18.580 0.943 576 HG23 VAL 71 2HG2 VAL 71 76.833 17.066 0.086 577 H ASP 72 H ASP 72 79.630 21.245 0.560 578 HA ASP 72 HA ASP 72 78.632 21.340 3.198 579 HB2 ASP 72 1HB ASP 72 80.966 22.434 1.748 580 HB3 ASP 72 2HB ASP 72 80.492 23.309 3.201 581 H LEU 73 H LEU 73 78.444 23.562 0.497 582 HA LEU 73 HA LEU 73 77.529 25.810 1.969 583 HB2 LEU 73 1HB LEU 73 77.177 25.109 -0.942 584 HB3 LEU 73 2HB LEU 73 76.827 26.682 -0.228 585 HG LEU 73 HG LEU 73 79.490 25.387 -0.715 586 HD11 LEU 73 1HD1 LEU 73 78.483 26.775 -2.478 587 HD12 LEU 73 2HD1 LEU 73 79.968 27.476 -1.836 588 HD13 LEU 73 3HD1 LEU 73 78.403 28.127 -1.348 589 HD21 LEU 73 3HD2 LEU 73 78.761 27.446 1.322 590 HD22 LEU 73 1HD2 LEU 73 80.324 27.528 0.509 591 HD23 LEU 73 2HD2 LEU 73 79.890 26.096 1.443 592 H LYS 74 H LYS 74 75.803 23.461 -0.083 593 HA LYS 74 HA LYS 74 73.221 24.414 0.408 594 HB2 LYS 74 1HB LYS 74 73.505 22.910 -1.397 595 HB3 LYS 74 2HB LYS 74 74.271 21.702 -0.374 596 HG2 LYS 74 1HG LYS 74 72.014 21.041 -0.983 597 HG3 LYS 74 2HG LYS 74 72.151 21.299 0.757 598 HD2 LYS 74 1HD LYS 74 71.251 23.624 0.361 599 HD3 LYS 74 2HD LYS 74 70.892 23.114 -1.290 600 HE2 LYS 74 1HE LYS 74 69.912 21.178 0.598 601 HE3 LYS 74 2HE LYS 74 69.297 22.782 0.992 602 HZ1 LYS 74 3HZ LYS 74 69.026 22.602 -1.717 603 HZ2 LYS 74 1HZ LYS 74 67.789 22.413 -0.579 604 HZ3 LYS 74 2HZ LYS 74 68.602 21.056 -1.176 605 H ASP 75 H ASP 75 75.081 21.884 2.065 606 HA ASP 75 HA ASP 75 73.064 21.168 3.902 607 HB2 ASP 75 1HB ASP 75 75.304 19.973 3.291 608 HB3 ASP 75 2HB ASP 75 75.982 20.971 4.574 609 H LYS 76 H LYS 76 75.619 23.590 3.990 610 HA LYS 76 HA LYS 76 75.330 24.308 6.707 611 HB2 LYS 76 1HB LYS 76 76.586 25.532 4.300 612 HB3 LYS 76 2HB LYS 76 76.294 26.573 5.686 613 HG2 LYS 76 1HG LYS 76 77.671 25.233 7.086 614 HG3 LYS 76 2HG LYS 76 77.796 23.973 5.856 615 HD2 LYS 76 1HD LYS 76 79.133 25.343 4.459 616 HD3 LYS 76 2HD LYS 76 78.780 26.784 5.416 617 HE2 LYS 76 1HE LYS 76 79.925 25.604 7.347 618 HE3 LYS 76 2HE LYS 76 80.487 24.422 6.166 619 HZ1 LYS 76 3HZ LYS 76 81.455 27.059 6.696 620 HZ2 LYS 76 1HZ LYS 76 81.116 26.831 5.054 621 HZ3 LYS 76 2HZ LYS 76 82.190 25.793 5.848 622 H TRP 77 H TRP 77 73.907 25.611 3.732 623 HA TRP 77 HA TRP 77 72.526 27.757 4.885 624 HB2 TRP 77 1HB TRP 77 72.734 27.711 2.517 625 HB3 TRP 77 2HB TRP 77 71.999 26.113 2.411 626 HD1 TRP 77 HD1 TRP 77 70.837 29.582 3.749 627 HE1 TRP 77 HE1 TRP 77 68.416 29.953 2.959 628 HE3 TRP 77 HE3 TRP 77 70.120 25.186 1.240 629 HZ2 TRP 77 HZ2 TRP 77 66.460 28.565 1.470 630 HZ3 TRP 77 HZ3 TRP 77 67.945 24.785 0.161 631 HH2 TRP 77 HH2 TRP 77 66.155 26.440 0.275 632 H LYS 78 H LYS 78 71.403 24.457 4.158 633 HA LYS 78 HA LYS 78 68.804 24.762 5.168 634 HB2 LYS 78 1HB LYS 78 69.391 22.888 3.747 635 HB3 LYS 78 2HB LYS 78 70.535 22.294 4.944 636 HG2 LYS 78 1HG LYS 78 68.901 21.446 6.293 637 HG3 LYS 78 2HG LYS 78 67.694 22.616 5.753 638 HD2 LYS 78 1HD LYS 78 67.058 20.494 4.880 639 HD3 LYS 78 2HD LYS 78 67.693 21.441 3.532 640 HE2 LYS 78 1HE LYS 78 68.644 19.306 3.287 641 HE3 LYS 78 2HE LYS 78 69.920 20.302 3.985 642 HZ1 LYS 78 3HZ LYS 78 68.140 18.656 5.677 643 HZ2 LYS 78 1HZ LYS 78 69.651 19.312 6.064 644 HZ3 LYS 78 2HZ LYS 78 69.544 18.014 4.984 645 H THR 79 H THR 79 71.788 23.648 6.722 646 HA THR 79 HA THR 79 70.650 22.981 9.210 647 HB THR 79 HB THR 79 73.473 23.917 8.657 648 HG1 THR 79 HG1 THR 79 72.618 21.228 8.908 649 HG21 THR 79 3HG2 THR 79 73.829 22.307 10.684 650 HG22 THR 79 1HG2 THR 79 72.134 22.656 11.016 651 HG23 THR 79 2HG2 THR 79 73.310 23.969 10.965 652 H LEU 80 H LEU 80 72.359 25.933 8.173 653 HA LEU 80 HA LEU 80 72.112 27.362 10.549 654 HB2 LEU 80 1HB LEU 80 73.029 29.067 9.411 655 HB3 LEU 80 2HB LEU 80 73.272 27.837 8.172 656 HG LEU 80 HG LEU 80 70.941 28.663 7.314 657 HD11 LEU 80 1HD1 LEU 80 71.428 31.360 7.892 658 HD12 LEU 80 2HD1 LEU 80 71.499 30.511 9.436 659 HD13 LEU 80 3HD1 LEU 80 70.065 30.373 8.419 660 HD21 LEU 80 3HD2 LEU 80 73.510 29.040 6.528 661 HD22 LEU 80 1HD2 LEU 80 72.970 30.706 6.739 662 HD23 LEU 80 2HD2 LEU 80 72.099 29.629 5.648 663 H VAL 81 H VAL 81 69.828 26.874 7.938 664 HA VAL 81 HA VAL 81 67.980 28.887 8.679 665 HB VAL 81 HB VAL 81 67.676 26.358 7.071 666 HG11 VAL 81 1HG1 VAL 81 65.488 26.475 7.572 667 HG12 VAL 81 2HG1 VAL 81 65.607 28.135 8.160 668 HG13 VAL 81 3HG1 VAL 81 65.482 27.818 6.430 669 HG21 VAL 81 3HG2 VAL 81 68.324 27.612 5.353 670 HG22 VAL 81 1HG2 VAL 81 67.099 28.826 5.719 671 HG23 VAL 81 2HG2 VAL 81 68.682 28.910 6.491 672 H HIS 82 H HIS 82 68.148 25.413 9.404 673 HA HIS 82 HA HIS 82 65.776 25.239 10.885 674 HB2 HIS 82 1HB HIS 82 67.314 23.357 10.009 675 HB3 HIS 82 2HB HIS 82 68.213 23.587 11.506 676 HD1 HIS 82 HD1 HIS 82 64.692 22.739 10.369 677 HD2 HIS 82 HD2 HIS 82 67.207 22.229 13.636 678 HE1 HIS 82 HE1 HIS 82 63.449 21.223 11.943 679 H THR 83 H THR 83 69.048 26.137 11.824 680 HA THR 83 HA THR 83 68.517 26.204 14.628 681 HB THR 83 HB THR 83 70.725 27.674 13.183 682 HG1 THR 83 HG1 THR 83 70.564 24.961 14.035 683 HG21 THR 83 3HG2 THR 83 70.270 26.776 16.012 684 HG22 THR 83 1HG2 THR 83 70.711 28.376 15.416 685 HG23 THR 83 2HG2 THR 83 71.896 27.069 15.396 686 H ALA 84 H ALA 84 68.226 28.485 12.004 687 HA ALA 84 HA ALA 84 67.875 30.764 13.747 688 HB1 ALA 84 1HB ALA 84 68.066 30.307 10.845 689 HB2 ALA 84 2HB ALA 84 67.042 31.655 11.342 690 HB3 ALA 84 3HB ALA 84 68.733 31.602 11.840 691 H SER 85 H SER 85 65.942 28.224 12.732 692 HA SER 85 HA SER 85 63.469 29.797 12.899 693 HB2 SER 85 1HB SER 85 64.159 27.856 11.116 694 HB3 SER 85 2HB SER 85 63.275 26.910 12.313 695 HG SER 85 HG SER 85 61.716 27.629 10.993 696 H ILE 86 H ILE 86 65.200 27.127 14.396 697 HA ILE 86 HA ILE 86 63.237 26.188 16.128 698 HB ILE 86 HB ILE 86 65.117 25.461 17.598 699 HG12 ILE 86 1HG1 ILE 86 66.858 26.787 15.509 700 HG13 ILE 86 2HG1 ILE 86 66.579 27.426 17.126 701 HG21 ILE 86 1HG2 ILE 86 64.505 24.673 14.950 702 HG22 ILE 86 2HG2 ILE 86 66.249 24.528 15.160 703 HG23 ILE 86 3HG2 ILE 86 65.156 23.691 16.262 704 HD11 ILE 86 3HD1 ILE 86 68.563 26.355 17.434 705 HD12 ILE 86 1HD1 ILE 86 67.445 25.058 17.854 706 HD13 ILE 86 2HD1 ILE 86 68.195 25.094 16.258 707 H ALA 87 H ALA 87 63.728 26.395 18.666 708 HA ALA 87 HA ALA 87 62.698 28.824 19.497 709 HB1 ALA 87 1HB ALA 87 64.374 27.613 21.534 710 HB2 ALA 87 2HB ALA 87 62.624 27.833 21.491 711 HB3 ALA 87 3HB ALA 87 63.355 26.431 20.711 712 HA PRO 88 HA PRO 88 65.977 31.735 19.669 713 HB2 PRO 88 1HB PRO 88 65.440 33.072 21.970 714 HB3 PRO 88 2HB PRO 88 64.461 33.244 20.508 715 HG2 PRO 88 1HG PRO 88 63.953 31.579 22.943 716 HG3 PRO 88 2HG PRO 88 62.821 32.584 22.019 717 HD2 PRO 88 1HD PRO 88 62.951 29.894 21.732 718 HD3 PRO 88 2HD PRO 88 62.530 30.978 20.391 719 H GLN 89 H GLN 89 65.490 29.695 22.481 720 HA GLN 89 HA GLN 89 68.023 30.339 23.678 721 HB2 GLN 89 1HB GLN 89 67.481 28.432 25.201 722 HB3 GLN 89 2HB GLN 89 66.242 29.679 25.142 723 HG2 GLN 89 1HG GLN 89 64.839 28.332 23.774 724 HG3 GLN 89 2HG GLN 89 66.120 27.145 23.531 725 HE21 GLN 89 2HE2 GLN 89 63.466 28.040 25.396 726 HE22 GLN 89 1HE2 GLN 89 63.643 26.878 26.662 727 H GLN 90 H GLN 90 67.197 28.587 21.009 728 HA GLN 90 HA GLN 90 69.518 26.797 21.308 729 HB2 GLN 90 1HB GLN 90 67.028 26.408 19.639 730 HB3 GLN 90 2HB GLN 90 68.420 25.332 19.634 731 HG2 GLN 90 1HG GLN 90 67.099 25.918 22.229 732 HG3 GLN 90 2HG GLN 90 66.291 24.836 21.095 733 HE21 GLN 90 2HE2 GLN 90 66.793 23.572 23.225 734 HE22 GLN 90 1HE2 GLN 90 68.225 22.608 23.164 735 H ARG 91 H ARG 91 67.947 29.216 19.388 736 HA ARG 91 HA ARG 91 69.475 28.870 17.016 737 HB2 ARG 91 1HB ARG 91 68.486 30.870 16.255 738 HB3 ARG 91 2HB ARG 91 67.265 30.117 17.272 739 HG2 ARG 91 1HG ARG 91 67.896 31.604 19.116 740 HG3 ARG 91 2HG ARG 91 69.095 32.370 18.072 741 HD2 ARG 91 1HD ARG 91 67.303 33.043 16.533 742 HD3 ARG 91 2HD ARG 91 66.116 32.302 17.606 743 HE ARG 91 HE ARG 91 67.573 34.127 19.115 744 HH11 ARG 91 1HH1 ARG 91 65.395 34.141 16.399 745 HH12 ARG 91 2HH1 ARG 91 64.778 35.725 16.735 746 HH21 ARG 91 1HH2 ARG 91 66.770 36.213 19.568 747 HH22 ARG 91 2HH2 ARG 91 65.562 36.903 18.538 748 H ARG 92 H ARG 92 70.295 30.002 20.069 749 HA ARG 92 HA ARG 92 71.989 32.138 19.653 750 HB2 ARG 92 1HB ARG 92 71.359 31.083 21.860 751 HB3 ARG 92 2HB ARG 92 72.578 29.857 21.539 752 HG2 ARG 92 1HG ARG 92 74.312 31.554 21.508 753 HG3 ARG 92 2HG ARG 92 73.102 32.813 21.762 754 HD2 ARG 92 1HD ARG 92 74.073 32.381 23.877 755 HD3 ARG 92 2HD ARG 92 72.481 31.623 23.894 756 HE ARG 92 HE ARG 92 74.104 29.612 23.110 757 HH11 ARG 92 1HH1 ARG 92 74.200 31.848 25.777 758 HH12 ARG 92 2HH1 ARG 92 75.007 30.745 26.842 759 HH21 ARG 92 1HH2 ARG 92 75.167 28.151 24.503 760 HH22 ARG 92 2HH2 ARG 92 75.557 28.643 26.116 761 H GLY 93 H GLY 93 73.492 32.302 18.117 762 HA2 GLY 93 1HA GLY 93 75.451 30.110 17.881 763 HA3 GLY 93 2HA GLY 93 74.740 30.830 16.444 764 H ALA 94 H ALA 94 76.660 31.591 15.601 765 HA ALA 94 HA ALA 94 78.594 33.038 17.057 766 HB1 ALA 94 1HB ALA 94 79.688 32.620 15.172 767 HB2 ALA 94 2HB ALA 94 78.188 32.207 14.342 768 HB3 ALA 94 3HB ALA 94 78.738 33.882 14.386 769 HA PRO 95 HA PRO 95 77.012 37.120 17.341 770 HB2 PRO 95 1HB PRO 95 79.211 38.632 16.841 771 HB3 PRO 95 2HB PRO 95 78.994 37.716 18.337 772 HG2 PRO 95 1HG PRO 95 80.583 37.013 15.899 773 HG3 PRO 95 2HG PRO 95 81.017 36.830 17.609 774 HD2 PRO 95 1HD PRO 95 80.127 34.763 16.102 775 HD3 PRO 95 2HD PRO 95 79.794 34.889 17.841 776 H VAL 96 H VAL 96 75.770 36.610 15.276 777 HA VAL 96 HA VAL 96 76.668 38.417 13.126 778 HB VAL 96 HB VAL 96 75.203 36.943 11.622 779 HG11 VAL 96 1HG1 VAL 96 77.873 36.197 12.743 780 HG12 VAL 96 2HG1 VAL 96 77.104 35.176 11.525 781 HG13 VAL 96 3HG1 VAL 96 77.469 36.864 11.161 782 HG21 VAL 96 3HG2 VAL 96 75.788 34.724 13.512 783 HG22 VAL 96 1HG2 VAL 96 74.384 35.742 13.830 784 HG23 VAL 96 2HG2 VAL 96 74.514 34.873 12.301 785 HA PRO 97 HA PRO 97 72.910 40.646 13.546 786 HB2 PRO 97 1HB PRO 97 72.426 41.374 10.976 787 HB3 PRO 97 2HB PRO 97 73.719 42.085 11.948 788 HG2 PRO 97 1HG PRO 97 73.872 39.919 9.887 789 HG3 PRO 97 2HG PRO 97 74.956 41.300 10.142 790 HD2 PRO 97 1HD PRO 97 75.548 38.803 11.008 791 HD3 PRO 97 2HD PRO 97 76.075 40.263 11.870 792 H GLN 98 H GLN 98 70.748 40.286 13.575 793 HA GLN 98 HA GLN 98 69.675 37.804 13.007 794 HB2 GLN 98 1HB GLN 98 67.458 38.888 13.236 795 HB3 GLN 98 2HB GLN 98 68.574 39.335 14.519 796 HG2 GLN 98 1HG GLN 98 69.083 41.386 13.023 797 HG3 GLN 98 2HG GLN 98 67.555 40.978 12.245 798 HE21 GLN 98 2HE2 GLN 98 65.697 40.674 13.764 799 HE22 GLN 98 1HE2 GLN 98 65.575 41.771 15.093 800 H GLU 99 H GLU 99 70.138 40.531 10.911 801 HA GLU 99 HA GLU 99 68.306 40.090 8.902 802 HB2 GLU 99 1HB GLU 99 69.722 41.327 7.463 803 HB3 GLU 99 2HB GLU 99 70.005 41.963 9.077 804 HG2 GLU 99 1HG GLU 99 71.944 40.184 9.071 805 HG3 GLU 99 2HG GLU 99 71.791 40.366 7.325 806 H LEU 100 H LEU 100 71.169 38.270 9.686 807 HA LEU 100 HA LEU 100 71.347 36.843 7.226 808 HB2 LEU 100 1HB LEU 100 72.378 36.052 9.945 809 HB3 LEU 100 2HB LEU 100 72.894 35.390 8.395 810 HG LEU 100 HG LEU 100 73.513 38.059 9.609 811 HD11 LEU 100 1HD1 LEU 100 74.905 35.820 9.713 812 HD12 LEU 100 2HD1 LEU 100 75.690 37.387 9.520 813 HD13 LEU 100 3HD1 LEU 100 75.432 36.351 8.116 814 HD21 LEU 100 3HD2 LEU 100 73.700 37.316 6.693 815 HD22 LEU 100 1HD2 LEU 100 74.477 38.719 7.428 816 HD23 LEU 100 2HD2 LEU 100 72.718 38.599 7.400 817 H LEU 101 H LEU 101 69.892 36.146 10.379 818 HA LEU 101 HA LEU 101 68.971 33.546 9.598 819 HB2 LEU 101 1HB LEU 101 68.167 35.284 11.927 820 HB3 LEU 101 2HB LEU 101 67.750 33.584 11.724 821 HG LEU 101 HG LEU 101 69.509 33.270 13.091 822 HD11 LEU 101 1HD1 LEU 101 71.481 32.698 11.945 823 HD12 LEU 101 2HD1 LEU 101 71.199 33.903 10.689 824 HD13 LEU 101 3HD1 LEU 101 70.177 32.469 10.779 825 HD21 LEU 101 3HD2 LEU 101 71.516 35.019 12.881 826 HD22 LEU 101 1HD2 LEU 101 70.099 35.306 13.892 827 HD23 LEU 101 2HD2 LEU 101 70.200 36.033 12.288 828 H ASP 102 H ASP 102 67.699 36.785 9.523 829 HA ASP 102 HA ASP 102 64.975 35.984 9.070 830 HB2 ASP 102 1HB ASP 102 65.910 38.228 10.053 831 HB3 ASP 102 2HB ASP 102 66.024 38.700 8.359 832 H ARG 103 H ARG 103 67.738 36.869 7.101 833 HA ARG 103 HA ARG 103 66.257 37.051 4.654 834 HB2 ARG 103 1HB ARG 103 68.365 37.350 3.581 835 HB3 ARG 103 2HB ARG 103 68.442 38.213 5.111 836 HG2 ARG 103 1HG ARG 103 69.717 36.404 6.100 837 HG3 ARG 103 2HG ARG 103 69.590 35.476 4.604 838 HD2 ARG 103 1HD ARG 103 70.617 38.123 4.097 839 HD3 ARG 103 2HD ARG 103 71.591 37.292 5.308 840 HE ARG 103 HE ARG 103 72.246 35.754 3.704 841 HH11 ARG 103 1HH1 ARG 103 69.802 37.886 2.439 842 HH12 ARG 103 2HH1 ARG 103 70.047 37.403 0.794 843 HH21 ARG 103 1HH2 ARG 103 72.578 35.109 1.542 844 HH22 ARG 103 2HH2 ARG 103 71.626 35.823 0.284 845 H VAL 104 H VAL 104 68.133 34.565 6.294 846 HA VAL 104 HA VAL 104 68.078 32.709 4.123 847 HB VAL 104 HB VAL 104 68.837 31.049 5.786 848 HG11 VAL 104 1HG1 VAL 104 70.154 33.587 5.202 849 HG12 VAL 104 2HG1 VAL 104 70.791 32.774 6.633 850 HG13 VAL 104 3HG1 VAL 104 70.765 31.937 5.080 851 HG21 VAL 104 3HG2 VAL 104 67.930 33.148 7.645 852 HG22 VAL 104 1HG2 VAL 104 67.982 31.397 7.845 853 HG23 VAL 104 2HG2 VAL 104 69.447 32.354 8.064 854 H LEU 105 H LEU 105 66.114 33.228 7.009 855 HA LEU 105 HA LEU 105 64.524 30.888 6.682 856 HB2 LEU 105 1HB LEU 105 64.499 33.288 8.401 857 HB3 LEU 105 2HB LEU 105 62.946 32.491 8.159 858 HG LEU 105 HG LEU 105 64.204 31.815 10.224 859 HD11 LEU 105 1HD1 LEU 105 62.491 30.370 9.589 860 HD12 LEU 105 2HD1 LEU 105 63.898 29.317 9.732 861 HD13 LEU 105 3HD1 LEU 105 63.346 29.839 8.141 862 HD21 LEU 105 3HD2 LEU 105 66.452 31.779 9.434 863 HD22 LEU 105 1HD2 LEU 105 66.049 30.627 8.161 864 HD23 LEU 105 2HD2 LEU 105 66.012 30.122 9.851 865 H ALA 106 H ALA 106 64.051 34.309 5.870 866 HA ALA 106 HA ALA 106 61.444 34.062 4.845 867 HB1 ALA 106 1HB ALA 106 63.616 36.067 4.264 868 HB2 ALA 106 2HB ALA 106 61.961 36.207 3.667 869 HB3 ALA 106 3HB ALA 106 62.278 36.226 5.402 870 H ALA 107 H ALA 107 64.609 33.951 3.235 871 HA ALA 107 HA ALA 107 63.592 33.604 0.618 872 HB1 ALA 107 1HB ALA 107 66.262 32.539 1.435 873 HB2 ALA 107 2HB ALA 107 65.784 33.344 -0.060 874 HB3 ALA 107 3HB ALA 107 65.969 34.279 1.424 875 H GLN 108 H GLN 108 64.513 31.344 3.161 876 HA GLN 108 HA GLN 108 64.460 28.980 1.666 877 HB2 GLN 108 1HB GLN 108 65.350 29.167 3.970 878 HB3 GLN 108 2HB GLN 108 63.706 29.342 4.571 879 HG2 GLN 108 1HG GLN 108 64.520 26.947 2.973 880 HG3 GLN 108 2HG GLN 108 64.832 27.042 4.705 881 HE21 GLN 108 2HE2 GLN 108 62.978 25.427 2.903 882 HE22 GLN 108 1HE2 GLN 108 61.442 25.547 3.685 883 H ALA 109 H ALA 109 61.882 30.479 3.615 884 HA ALA 109 HA ALA 109 59.898 28.584 2.925 885 HB1 ALA 109 1HB ALA 109 58.547 29.755 4.296 886 HB2 ALA 109 2HB ALA 109 60.055 30.535 4.776 887 HB3 ALA 109 3HB ALA 109 58.999 31.308 3.594 888 H TYR 110 H TYR 110 60.953 31.599 1.470 889 HA TYR 110 HA TYR 110 58.794 32.029 -0.262 890 HB2 TYR 110 1HB TYR 110 61.605 32.933 -0.094 891 HB3 TYR 110 2HB TYR 110 60.862 33.040 -1.686 892 HD1 TYR 110 HD1 TYR 110 59.374 33.571 1.691 893 HD2 TYR 110 HD2 TYR 110 60.455 35.301 -2.043 894 HE1 TYR 110 HE1 TYR 110 58.274 35.670 2.352 895 HE2 TYR 110 HE2 TYR 110 59.360 37.405 -1.392 896 HH TYR 110 HH TYR 110 57.183 37.726 0.853 897 H TRP 111 H TRP 111 61.772 30.161 -0.686 898 HA TRP 111 HA TRP 111 61.211 29.425 -3.383 899 HB2 TRP 111 1HB TRP 111 63.121 28.288 -1.335 900 HB3 TRP 111 2HB TRP 111 63.040 27.736 -3.006 901 HD1 TRP 111 HD1 TRP 111 65.202 29.744 -1.083 902 HE1 TRP 111 HE1 TRP 111 66.318 31.625 -2.440 903 HE3 TRP 111 HE3 TRP 111 62.093 29.772 -5.141 904 HZ2 TRP 111 HZ2 TRP 111 65.931 32.946 -4.904 905 HZ3 TRP 111 HZ3 TRP 111 62.535 31.375 -6.955 906 HH2 TRP 111 HH2 TRP 111 64.415 32.929 -6.837 907 H SER 112 H SER 112 60.121 28.310 -0.343 908 HA SER 112 HA SER 112 59.581 25.606 -1.022 909 HB2 SER 112 1HB SER 112 59.705 26.615 1.320 910 HB3 SER 112 2HB SER 112 58.076 27.227 1.033 911 HG SER 112 HG SER 112 57.568 24.943 0.519 912 H VAL 113 H VAL 113 58.156 24.900 -2.451 913 HA VAL 113 HA VAL 113 55.740 26.514 -2.955 914 HB VAL 113 HB VAL 113 57.296 26.365 -4.890 915 HG11 VAL 113 1HG1 VAL 113 56.524 23.508 -5.255 916 HG12 VAL 113 2HG1 VAL 113 57.913 24.392 -5.892 917 HG13 VAL 113 3HG1 VAL 113 57.878 23.904 -4.197 918 HG21 VAL 113 3HG2 VAL 113 55.214 24.941 -6.161 919 HG22 VAL 113 1HG2 VAL 113 54.494 25.832 -4.820 920 HG23 VAL 113 2HG2 VAL 113 55.428 26.688 -6.048 921 H ASP 114 H ASP 114 57.028 23.372 -2.227 922 HA ASP 114 HA ASP 114 54.519 22.421 -1.295 923 HB2 ASP 114 1HB ASP 114 55.355 21.717 -4.042 924 HB3 ASP 114 2HB ASP 114 54.826 20.368 -3.041 925 H SER 115 H SER 115 54.711 19.954 -0.810 926 HA SER 115 HA SER 115 57.442 19.470 0.186 927 HB2 SER 115 1HB SER 115 55.736 19.868 1.957 928 HB3 SER 115 2HB SER 115 54.844 18.464 1.371 929 HG SER 115 HG SER 115 56.115 17.725 3.002 930 H SER 116 H SER 116 56.635 18.714 -2.415 931 HA SER 116 HA SER 116 56.360 15.794 -2.186 932 HB2 SER 116 1HB SER 116 55.458 15.763 -4.381 933 HB3 SER 116 2HB SER 116 54.690 17.135 -3.581 934 HG SER 116 HG SER 116 55.711 18.474 -4.870 935 H GLY 117 H GLY 117 58.071 14.560 -2.594 936 HA2 GLY 117 1HA GLY 117 59.905 13.891 -3.978 937 HA3 GLY 117 2HA GLY 117 60.163 15.580 -4.391 938 H ARG 118 H ARG 118 61.007 13.018 -2.306 939 HA ARG 118 HA ARG 118 62.199 14.664 -0.262 940 HB2 ARG 118 1HB ARG 118 63.097 12.488 0.581 941 HB3 ARG 118 2HB ARG 118 61.347 12.528 0.414 942 HG2 ARG 118 1HG ARG 118 61.373 11.135 -1.457 943 HG3 ARG 118 2HG ARG 118 63.091 11.413 -1.751 944 HD2 ARG 118 1HD ARG 118 62.972 9.255 -0.836 945 HD3 ARG 118 2HD ARG 118 63.493 10.287 0.495 946 HE ARG 118 HE ARG 118 60.693 10.082 0.536 947 HH11 ARG 118 1HH1 ARG 118 63.533 8.148 1.096 948 HH12 ARG 118 2HH1 ARG 118 62.758 7.109 2.246 949 HH21 ARG 118 1HH2 ARG 118 59.661 8.720 2.047 950 HH22 ARG 118 2HH2 ARG 118 60.555 7.434 2.785 951 H ILE 119 H ILE 119 64.596 13.792 0.315 952 HA ILE 119 HA ILE 119 66.213 14.716 -1.906 953 HB ILE 119 HB ILE 119 67.039 13.934 0.892 954 HG12 ILE 119 1HG1 ILE 119 66.766 16.710 -0.261 955 HG13 ILE 119 2HG1 ILE 119 65.472 15.919 0.632 956 HG21 ILE 119 1HG2 ILE 119 68.926 13.733 -0.537 957 HG22 ILE 119 2HG2 ILE 119 68.543 15.244 -1.361 958 HG23 ILE 119 3HG2 ILE 119 69.088 15.269 0.316 959 HD11 ILE 119 3HD1 ILE 119 68.088 16.954 1.599 960 HD12 ILE 119 1HD1 ILE 119 66.471 17.165 2.271 961 HD13 ILE 119 2HD1 ILE 119 67.309 15.624 2.457 962 H VAL 120 H VAL 120 66.059 12.968 -3.357 963 HA VAL 120 HA VAL 120 66.755 10.302 -2.625 964 HB VAL 120 HB VAL 120 66.765 11.506 -5.395 965 HG11 VAL 120 1HG1 VAL 120 65.921 8.854 -5.473 966 HG12 VAL 120 2HG1 VAL 120 67.486 9.486 -5.989 967 HG13 VAL 120 3HG1 VAL 120 67.282 8.864 -4.351 968 HG21 VAL 120 3HG2 VAL 120 64.512 10.321 -3.782 969 HG22 VAL 120 1HG2 VAL 120 64.618 11.947 -4.458 970 HG23 VAL 120 2HG2 VAL 120 64.447 10.556 -5.529 971 H THR 121 H THR 121 68.724 9.632 -2.118 972 HA THR 121 HA THR 121 71.028 10.855 -3.493 973 HB THR 121 HB THR 121 70.910 11.455 -1.078 974 HG1 THR 121 HG1 THR 121 73.117 10.727 -0.660 975 HG21 THR 121 3HG2 THR 121 71.823 8.846 -0.148 976 HG22 THR 121 1HG2 THR 121 70.156 8.827 -0.722 977 HG23 THR 121 2HG2 THR 121 70.636 9.944 0.555 978 H LEU 122 H LEU 122 69.528 8.534 -4.344 979 HA LEU 122 HA LEU 122 71.459 6.370 -3.866 980 HB2 LEU 122 1HB LEU 122 68.565 6.445 -4.539 981 HB3 LEU 122 2HB LEU 122 69.519 5.088 -5.133 982 HG LEU 122 HG LEU 122 68.313 4.632 -3.010 983 HD11 LEU 122 1HD1 LEU 122 71.095 4.462 -2.136 984 HD12 LEU 122 2HD1 LEU 122 70.822 3.873 -3.775 985 HD13 LEU 122 3HD1 LEU 122 69.914 3.185 -2.429 986 HD21 LEU 122 3HD2 LEU 122 68.872 5.689 -0.994 987 HD22 LEU 122 1HD2 LEU 122 68.696 7.006 -2.155 988 HD23 LEU 122 2HD2 LEU 122 70.304 6.451 -1.688 Start of MODEL 4 1 H1 GLY 1 H GLY 1 63.045 -10.305 3.942 2 HA2 GLY 1 1HA GLY 1 62.710 -8.154 3.077 3 HA3 GLY 1 2HA GLY 1 60.995 -8.304 3.428 4 H SER 2 H SER 2 63.983 -8.442 5.372 5 HA SER 2 HA SER 2 62.693 -6.971 7.501 6 HB2 SER 2 1HB SER 2 65.276 -8.416 7.156 7 HB3 SER 2 2HB SER 2 65.206 -7.152 8.384 8 HG SER 2 HG SER 2 64.490 -8.853 9.479 9 HA PRO 3 HA PRO 3 64.134 -2.925 6.612 10 HB2 PRO 3 1HB PRO 3 64.802 -1.986 9.070 11 HB3 PRO 3 2HB PRO 3 63.129 -2.240 8.561 12 HG2 PRO 3 1HG PRO 3 64.886 -3.992 10.237 13 HG3 PRO 3 2HG PRO 3 63.179 -3.570 10.468 14 HD2 PRO 3 1HD PRO 3 63.965 -5.929 9.395 15 HD3 PRO 3 2HD PRO 3 62.457 -5.120 8.923 16 H PHE 4 H PHE 4 65.966 -1.909 5.984 17 HA PHE 4 HA PHE 4 68.516 -3.102 6.833 18 HB2 PHE 4 1HB PHE 4 67.830 -3.135 4.373 19 HB3 PHE 4 2HB PHE 4 68.089 -1.394 4.385 20 HD1 PHE 4 HD2 PHE 4 69.804 -4.603 5.153 21 HD2 PHE 4 HD1 PHE 4 70.192 -0.539 3.949 22 HE1 PHE 4 HE2 PHE 4 72.200 -4.963 4.725 23 HE2 PHE 4 HE1 PHE 4 72.589 -0.893 3.518 24 HZ PHE 4 HZ PHE 4 73.596 -3.106 3.907 25 H ALA 5 H ALA 5 70.059 -1.890 7.779 26 HA ALA 5 HA ALA 5 69.504 0.987 8.103 27 HB1 ALA 5 1HB ALA 5 71.192 0.317 10.173 28 HB2 ALA 5 2HB ALA 5 69.443 0.521 10.284 29 HB3 ALA 5 3HB ALA 5 70.130 -1.085 10.044 30 H ASP 6 H ASP 6 71.363 2.388 8.308 31 HA ASP 6 HA ASP 6 73.429 1.689 6.430 32 HB2 ASP 6 1HB ASP 6 72.588 4.150 7.878 33 HB3 ASP 6 2HB ASP 6 74.258 4.066 7.325 34 HA PRO 7 HA PRO 7 76.646 0.443 9.137 35 HB2 PRO 7 1HB PRO 7 78.828 1.632 8.045 36 HB3 PRO 7 2HB PRO 7 78.002 0.263 7.292 37 HG2 PRO 7 1HG PRO 7 77.775 3.184 6.677 38 HG3 PRO 7 2HG PRO 7 77.884 1.811 5.560 39 HD2 PRO 7 1HD PRO 7 75.537 3.024 6.153 40 HD3 PRO 7 2HD PRO 7 75.649 1.292 5.782 41 H ASN 8 H ASN 8 78.672 1.380 10.330 42 HA ASN 8 HA ASN 8 78.284 4.136 11.194 43 HB2 ASN 8 1HB ASN 8 77.867 1.725 12.921 44 HB3 ASN 8 2HB ASN 8 78.539 3.188 13.635 45 HD21 ASN 8 2HD2 ASN 8 77.185 4.718 14.272 46 HD22 ASN 8 1HD2 ASN 8 75.502 4.794 13.887 47 H SER 9 H SER 9 80.152 5.131 11.727 48 HA SER 9 HA SER 9 82.477 3.691 12.595 49 HB2 SER 9 1HB SER 9 82.576 3.244 10.175 50 HB3 SER 9 2HB SER 9 82.518 4.976 9.853 51 HG SER 9 HG SER 9 84.605 3.408 10.807 52 H LEU 10 H LEU 10 84.305 5.134 13.032 53 HA LEU 10 HA LEU 10 83.369 7.866 13.599 54 HB2 LEU 10 1HB LEU 10 85.311 6.053 14.987 55 HB3 LEU 10 2HB LEU 10 85.355 7.797 15.242 56 HG LEU 10 HG LEU 10 82.787 7.397 15.794 57 HD11 LEU 10 1HD1 LEU 10 82.894 5.204 17.245 58 HD12 LEU 10 2HD1 LEU 10 84.077 4.727 16.028 59 HD13 LEU 10 3HD1 LEU 10 82.436 5.153 15.543 60 HD21 LEU 10 3HD2 LEU 10 83.582 8.228 17.691 61 HD22 LEU 10 1HD2 LEU 10 85.207 7.680 17.282 62 HD23 LEU 10 2HD2 LEU 10 84.112 6.611 18.159 63 H ALA 11 H ALA 11 85.268 9.468 13.773 64 HA ALA 11 HA ALA 11 87.615 9.068 12.264 65 HB1 ALA 11 1HB ALA 11 86.980 10.602 10.344 66 HB2 ALA 11 2HB ALA 11 86.316 8.968 10.303 67 HB3 ALA 11 3HB ALA 11 85.302 10.319 10.809 68 H LEU 12 H LEU 12 88.990 10.450 13.153 69 HA LEU 12 HA LEU 12 87.964 13.040 14.108 70 HB2 LEU 12 1HB LEU 12 89.995 11.145 15.179 71 HB3 LEU 12 2HB LEU 12 90.211 12.869 15.478 72 HG LEU 12 HG LEU 12 89.115 11.665 17.343 73 HD11 LEU 12 1HD1 LEU 12 88.732 14.114 16.732 74 HD12 LEU 12 2HD1 LEU 12 87.567 13.353 17.814 75 HD13 LEU 12 3HD1 LEU 12 87.168 13.587 16.112 76 HD21 LEU 12 3HD2 LEU 12 86.673 11.443 15.622 77 HD22 LEU 12 1HD2 LEU 12 87.025 10.663 17.163 78 HD23 LEU 12 2HD2 LEU 12 87.853 10.134 15.698 79 H ALA 13 H ALA 13 88.348 13.538 11.719 80 HA ALA 13 HA ALA 13 90.749 15.079 11.527 81 HB1 ALA 13 1HB ALA 13 91.719 14.002 9.586 82 HB2 ALA 13 2HB ALA 13 91.624 12.859 10.926 83 HB3 ALA 13 3HB ALA 13 90.455 12.772 9.608 84 H ASN 14 H ASN 14 90.898 16.117 9.275 85 HA ASN 14 HA ASN 14 88.268 17.134 8.637 86 HB2 ASN 14 1HB ASN 14 91.073 17.883 7.887 87 HB3 ASN 14 2HB ASN 14 89.720 18.513 6.952 88 HD21 ASN 14 2HD2 ASN 14 91.449 18.638 9.920 89 HD22 ASN 14 1HD2 ASN 14 90.591 19.965 10.616 90 H VAL 15 H VAL 15 87.417 17.237 6.479 91 HA VAL 15 HA VAL 15 87.861 14.768 5.023 92 HB VAL 15 HB VAL 15 85.883 16.990 4.491 93 HG11 VAL 15 1HG1 VAL 15 85.946 14.169 3.424 94 HG12 VAL 15 2HG1 VAL 15 84.754 15.415 3.048 95 HG13 VAL 15 3HG1 VAL 15 86.426 15.604 2.518 96 HG21 VAL 15 3HG2 VAL 15 85.493 15.953 6.653 97 HG22 VAL 15 1HG2 VAL 15 84.239 15.473 5.509 98 HG23 VAL 15 2HG2 VAL 15 85.538 14.352 5.915 99 HA PRO 16 HA PRO 16 90.585 16.599 2.057 100 HB2 PRO 16 1HB PRO 16 90.483 14.607 0.215 101 HB3 PRO 16 2HB PRO 16 91.390 14.472 1.727 102 HG2 PRO 16 1HG PRO 16 88.675 13.410 1.045 103 HG3 PRO 16 2HG PRO 16 89.998 12.619 1.922 104 HD2 PRO 16 1HD PRO 16 87.877 13.736 3.182 105 HD3 PRO 16 2HD PRO 16 89.501 13.699 3.897 106 H LEU 17 H LEU 17 90.517 17.600 0.027 107 HA LEU 17 HA LEU 17 87.930 18.444 -0.828 108 HB2 LEU 17 1HB LEU 17 90.738 18.990 -1.652 109 HB3 LEU 17 2HB LEU 17 89.437 19.419 -2.760 110 HG LEU 17 HG LEU 17 89.541 20.401 0.084 111 HD11 LEU 17 1HD1 LEU 17 91.508 21.297 -0.782 112 HD12 LEU 17 2HD1 LEU 17 90.312 22.561 -1.069 113 HD13 LEU 17 3HD1 LEU 17 90.817 21.509 -2.391 114 HD21 LEU 17 3HD2 LEU 17 87.571 21.296 -0.399 115 HD22 LEU 17 1HD2 LEU 17 87.615 20.531 -1.987 116 HD23 LEU 17 2HD2 LEU 17 88.278 22.151 -1.770 117 H SER 18 H SER 18 86.761 16.740 -1.634 118 HA SER 18 HA SER 18 87.673 15.704 -4.224 119 HB2 SER 18 1HB SER 18 86.753 14.104 -1.851 120 HB3 SER 18 2HB SER 18 86.521 13.491 -3.488 121 HG SER 18 HG SER 18 88.660 13.329 -3.752 122 H ARG 19 H ARG 19 85.735 14.423 -5.252 123 HA ARG 19 HA ARG 19 83.184 15.726 -4.655 124 HB2 ARG 19 1HB ARG 19 84.259 15.592 -7.471 125 HB3 ARG 19 2HB ARG 19 82.816 16.425 -6.908 126 HG2 ARG 19 1HG ARG 19 84.292 17.929 -5.576 127 HG3 ARG 19 2HG ARG 19 85.679 17.163 -6.354 128 HD2 ARG 19 1HD ARG 19 83.455 18.340 -7.980 129 HD3 ARG 19 2HD ARG 19 84.745 19.359 -7.342 130 HE ARG 19 HE ARG 19 84.933 17.462 -9.501 131 HH11 ARG 19 1HH1 ARG 19 86.679 19.250 -7.077 132 HH12 ARG 19 2HH1 ARG 19 88.188 19.180 -7.925 133 HH21 ARG 19 1HH2 ARG 19 86.914 17.363 -10.627 134 HH22 ARG 19 2HH2 ARG 19 88.320 18.107 -9.945 135 H SER 20 H SER 20 81.615 14.267 -4.586 136 HA SER 20 HA SER 20 81.704 11.956 -6.378 137 HB2 SER 20 1HB SER 20 82.695 11.074 -4.374 138 HB3 SER 20 2HB SER 20 81.445 11.804 -3.368 139 HG SER 20 HG SER 20 81.270 9.589 -5.096 140 H LYS 21 H LYS 21 79.688 11.054 -6.853 141 HA LYS 21 HA LYS 21 77.442 12.844 -6.339 142 HB2 LYS 21 1HB LYS 21 77.819 10.550 -8.267 143 HB3 LYS 21 2HB LYS 21 76.301 11.418 -8.081 144 HG2 LYS 21 1HG LYS 21 77.740 13.522 -8.564 145 HG3 LYS 21 2HG LYS 21 78.888 12.359 -9.233 146 HD2 LYS 21 1HD LYS 21 75.994 12.385 -10.043 147 HD3 LYS 21 2HD LYS 21 77.197 13.402 -10.841 148 HE2 LYS 21 1HE LYS 21 78.505 11.110 -10.995 149 HE3 LYS 21 2HE LYS 21 76.878 10.443 -10.868 150 HZ1 LYS 21 3HZ LYS 21 77.430 10.725 -13.163 151 HZ2 LYS 21 1HZ LYS 21 77.860 12.344 -12.925 152 HZ3 LYS 21 2HZ LYS 21 76.246 11.866 -12.766 153 H ARG 22 H ARG 22 78.177 11.454 -4.087 154 HA ARG 22 HA ARG 22 75.755 10.232 -3.328 155 HB2 ARG 22 1HB ARG 22 76.996 8.441 -4.775 156 HB3 ARG 22 2HB ARG 22 77.983 8.229 -3.335 157 HG2 ARG 22 1HG ARG 22 76.348 6.615 -3.091 158 HG3 ARG 22 2HG ARG 22 75.734 7.945 -2.107 159 HD2 ARG 22 1HD ARG 22 73.855 7.378 -3.300 160 HD3 ARG 22 2HD ARG 22 74.537 8.637 -4.327 161 HE ARG 22 HE ARG 22 75.484 6.062 -5.072 162 HH11 ARG 22 1HH1 ARG 22 72.735 8.185 -5.297 163 HH12 ARG 22 2HH1 ARG 22 72.153 7.489 -6.774 164 HH21 ARG 22 1HH2 ARG 22 74.729 5.136 -7.015 165 HH22 ARG 22 2HH2 ARG 22 73.288 5.754 -7.749 166 HA PRO 23 HA PRO 23 78.592 11.840 -0.005 167 HB2 PRO 23 1HB PRO 23 76.779 13.566 1.045 168 HB3 PRO 23 2HB PRO 23 77.854 13.997 -0.290 169 HG2 PRO 23 1HG PRO 23 74.986 13.145 -0.368 170 HG3 PRO 23 2HG PRO 23 75.793 14.440 -1.270 171 HD2 PRO 23 1HD PRO 23 75.246 12.024 -2.364 172 HD3 PRO 23 2HD PRO 23 76.667 12.982 -2.827 173 H ASP 24 H ASP 24 78.061 11.964 2.397 174 HA ASP 24 HA ASP 24 76.231 9.759 3.071 175 HB2 ASP 24 1HB ASP 24 77.646 9.632 5.190 176 HB3 ASP 24 2HB ASP 24 78.425 9.127 3.693 177 H PHE 25 H PHE 25 75.721 9.986 5.619 178 HA PHE 25 HA PHE 25 74.739 12.727 6.054 179 HB2 PHE 25 1HB PHE 25 73.234 10.167 6.638 180 HB3 PHE 25 2HB PHE 25 72.673 11.795 7.006 181 HD1 PHE 25 HD2 PHE 25 72.933 13.394 4.780 182 HD2 PHE 25 HD1 PHE 25 72.195 9.203 4.850 183 HE1 PHE 25 HE2 PHE 25 71.901 13.542 2.551 184 HE2 PHE 25 HE1 PHE 25 71.162 9.344 2.621 185 HZ PHE 25 HZ PHE 25 71.013 11.516 1.469 186 H GLY 26 H GLY 26 76.087 13.404 7.631 187 HA2 GLY 26 1HA GLY 26 75.831 13.101 10.230 188 HA3 GLY 26 2HA GLY 26 76.690 11.612 9.866 189 H GLN 27 H GLN 27 76.974 14.926 10.529 190 HA GLN 27 HA GLN 27 79.863 14.728 10.446 191 HB2 GLN 27 1HB GLN 27 80.014 16.942 9.210 192 HB3 GLN 27 2HB GLN 27 79.579 15.539 8.244 193 HG2 GLN 27 1HG GLN 27 77.382 17.165 9.393 194 HG3 GLN 27 2HG GLN 27 78.298 17.839 8.046 195 HE21 GLN 27 2HE2 GLN 27 78.630 16.216 6.211 196 HE22 GLN 27 1HE2 GLN 27 77.233 15.313 5.743 197 H ARG 28 H ARG 28 80.849 16.853 11.284 198 HA ARG 28 HA ARG 28 79.105 17.930 13.402 199 HB2 ARG 28 1HB ARG 28 81.105 18.130 14.815 200 HB3 ARG 28 2HB ARG 28 80.813 16.463 14.339 201 HG2 ARG 28 1HG ARG 28 82.571 16.544 12.722 202 HG3 ARG 28 2HG ARG 28 82.777 18.280 12.965 203 HD2 ARG 28 1HD ARG 28 84.512 17.004 14.121 204 HD3 ARG 28 2HD ARG 28 83.495 17.887 15.259 205 HE ARG 28 HE ARG 28 82.449 15.312 14.967 206 HH11 ARG 28 1HH1 ARG 28 85.285 16.887 16.231 207 HH12 ARG 28 2HH1 ARG 28 85.585 15.672 17.429 208 HH21 ARG 28 1HH2 ARG 28 82.834 13.706 16.540 209 HH22 ARG 28 2HH2 ARG 28 84.191 13.862 17.603 210 H ARG 29 H ARG 29 79.657 18.953 10.677 211 HA ARG 29 HA ARG 29 81.199 21.375 11.219 212 HB2 ARG 29 1HB ARG 29 79.994 20.318 8.656 213 HB3 ARG 29 2HB ARG 29 80.934 21.798 8.786 214 HG2 ARG 29 1HG ARG 29 82.000 19.091 9.541 215 HG3 ARG 29 2HG ARG 29 82.181 19.802 7.936 216 HD2 ARG 29 1HD ARG 29 83.039 21.286 10.395 217 HD3 ARG 29 2HD ARG 29 84.093 20.089 9.643 218 HE ARG 29 HE ARG 29 83.114 21.998 7.761 219 HH11 ARG 29 1HH1 ARG 29 85.500 21.464 10.240 220 HH12 ARG 29 2HH1 ARG 29 86.624 22.609 9.587 221 HH21 ARG 29 1HH2 ARG 29 84.585 23.509 6.892 222 HH22 ARG 29 2HH2 ARG 29 86.102 23.772 7.683 223 H ILE 30 H ILE 30 78.872 21.267 12.673 224 HA ILE 30 HA ILE 30 76.919 22.913 11.245 225 HB ILE 30 HB ILE 30 76.714 21.809 14.046 226 HG12 ILE 30 1HG1 ILE 30 76.950 19.989 12.404 227 HG13 ILE 30 2HG1 ILE 30 75.330 20.030 13.090 228 HG21 ILE 30 1HG2 ILE 30 75.138 23.647 12.559 229 HG22 ILE 30 2HG2 ILE 30 74.209 22.164 12.772 230 HG23 ILE 30 3HG2 ILE 30 74.853 23.009 14.178 231 HD11 ILE 30 3HD1 ILE 30 76.085 21.197 10.423 232 HD12 ILE 30 1HD1 ILE 30 75.370 19.603 10.662 233 HD13 ILE 30 2HD1 ILE 30 74.463 21.052 11.099 234 H ARG 31 H ARG 31 76.586 25.023 11.659 235 HA ARG 31 HA ARG 31 76.996 27.137 12.396 236 HB2 ARG 31 1HB ARG 31 76.107 25.749 14.524 237 HB3 ARG 31 2HB ARG 31 77.687 26.226 15.130 238 HG2 ARG 31 1HG ARG 31 77.167 28.552 14.798 239 HG3 ARG 31 2HG ARG 31 75.630 28.132 14.039 240 HD2 ARG 31 1HD ARG 31 75.186 28.780 16.297 241 HD3 ARG 31 2HD ARG 31 74.957 27.036 16.174 242 HE ARG 31 HE ARG 31 77.587 27.832 17.044 243 HH11 ARG 31 1HH1 ARG 31 74.343 27.031 18.021 244 HH12 ARG 31 2HH1 ARG 31 74.799 26.584 19.632 245 HH21 ARG 31 1HH2 ARG 31 78.200 27.246 19.161 246 HH22 ARG 31 2HH2 ARG 31 76.993 26.707 20.279 247 H ARG 32 H ARG 32 79.147 26.076 11.132 248 HA ARG 32 HA ARG 32 81.552 26.089 12.609 249 HB2 ARG 32 1HB ARG 32 80.869 26.314 9.700 250 HB3 ARG 32 2HB ARG 32 82.521 26.602 10.231 251 HG2 ARG 32 1HG ARG 32 81.123 24.117 11.098 252 HG3 ARG 32 2HG ARG 32 81.770 24.229 9.460 253 HD2 ARG 32 1HD ARG 32 83.534 23.300 10.640 254 HD3 ARG 32 2HD ARG 32 83.939 25.016 10.627 255 HE ARG 32 HE ARG 32 82.436 24.320 12.938 256 HH11 ARG 32 1HH1 ARG 32 85.620 24.161 11.540 257 HH12 ARG 32 2HH1 ARG 32 86.432 24.124 13.070 258 HH21 ARG 32 1HH2 ARG 32 83.493 24.271 14.959 259 HH22 ARG 32 2HH2 ARG 32 85.222 24.185 15.014 260 HA PRO 33 HA PRO 33 82.524 30.333 13.149 261 HB2 PRO 33 1HB PRO 33 85.204 30.367 12.714 262 HB3 PRO 33 2HB PRO 33 84.474 29.654 14.158 263 HG2 PRO 33 1HG PRO 33 85.448 28.309 11.667 264 HG3 PRO 33 2HG PRO 33 85.663 27.823 13.359 265 HD2 PRO 33 1HD PRO 33 83.800 26.700 11.746 266 HD3 PRO 33 2HD PRO 33 83.555 26.899 13.493 267 H PHE 34 H PHE 34 81.347 31.123 11.307 268 HA PHE 34 HA PHE 34 83.070 31.803 9.015 269 HB2 PHE 34 1HB PHE 34 80.708 32.137 7.896 270 HB3 PHE 34 2HB PHE 34 81.425 30.533 8.013 271 HD1 PHE 34 HD1 PHE 34 79.503 32.706 10.363 272 HD2 PHE 34 HD2 PHE 34 79.843 28.932 8.425 273 HE1 PHE 34 HE1 PHE 34 77.512 31.911 11.570 274 HE2 PHE 34 HE2 PHE 34 77.851 28.132 9.627 275 HZ PHE 34 HZ PHE 34 76.683 29.622 11.202 276 H THR 35 H THR 35 82.477 33.859 7.919 277 HA THR 35 HA THR 35 81.807 35.894 9.933 278 HB THR 35 HB THR 35 84.004 36.249 9.050 279 HG1 THR 35 HG1 THR 35 83.719 38.334 8.487 280 HG21 THR 35 3HG2 THR 35 82.833 35.287 6.614 281 HG22 THR 35 1HG2 THR 35 84.535 35.509 7.016 282 HG23 THR 35 2HG2 THR 35 83.610 36.843 6.325 283 H VAL 36 H VAL 36 80.648 37.822 9.168 284 HA VAL 36 HA VAL 36 78.199 37.233 8.018 285 HB VAL 36 HB VAL 36 78.490 39.233 9.338 286 HG11 VAL 36 1HG1 VAL 36 80.821 39.689 8.544 287 HG12 VAL 36 2HG1 VAL 36 80.120 40.389 7.083 288 HG13 VAL 36 3HG1 VAL 36 79.788 41.113 8.657 289 HG21 VAL 36 3HG2 VAL 36 77.140 39.123 6.873 290 HG22 VAL 36 1HG2 VAL 36 76.781 40.153 8.259 291 HG23 VAL 36 2HG2 VAL 36 77.850 40.733 6.982 292 H ALA 37 H ALA 37 81.147 38.441 6.500 293 HA ALA 37 HA ALA 37 80.054 38.973 3.957 294 HB1 ALA 37 1HB ALA 37 82.104 39.721 3.547 295 HB2 ALA 37 2HB ALA 37 82.558 39.196 5.169 296 HB3 ALA 37 3HB ALA 37 82.798 38.119 3.794 297 H GLU 38 H GLU 38 81.766 36.117 5.216 298 HA GLU 38 HA GLU 38 81.614 34.601 2.850 299 HB2 GLU 38 1HB GLU 38 83.106 34.149 4.830 300 HB3 GLU 38 2HB GLU 38 81.696 33.512 5.665 301 HG2 GLU 38 1HG GLU 38 81.474 31.732 4.110 302 HG3 GLU 38 2HG GLU 38 82.676 32.443 3.034 303 H VAL 39 H VAL 39 79.555 34.607 5.750 304 HA VAL 39 HA VAL 39 77.756 32.630 4.878 305 HB VAL 39 HB VAL 39 77.258 34.924 6.780 306 HG11 VAL 39 1HG1 VAL 39 75.474 32.996 5.687 307 HG12 VAL 39 2HG1 VAL 39 75.706 32.639 7.400 308 HG13 VAL 39 3HG1 VAL 39 75.152 34.237 6.898 309 HG21 VAL 39 3HG2 VAL 39 78.295 33.762 8.391 310 HG22 VAL 39 1HG2 VAL 39 77.608 32.229 7.855 311 HG23 VAL 39 2HG2 VAL 39 79.047 32.874 7.066 312 H GLU 40 H GLU 40 77.850 36.113 4.389 313 HA GLU 40 HA GLU 40 75.258 36.436 3.347 314 HB2 GLU 40 1HB GLU 40 77.789 37.995 3.274 315 HB3 GLU 40 2HB GLU 40 76.560 38.403 2.085 316 HG2 GLU 40 1HG GLU 40 74.973 38.908 3.788 317 HG3 GLU 40 2HG GLU 40 76.037 38.275 5.043 318 H LEU 41 H LEU 41 78.370 35.927 1.698 319 HA LEU 41 HA LEU 41 77.298 35.882 -0.915 320 HB2 LEU 41 1HB LEU 41 79.830 34.677 0.189 321 HB3 LEU 41 2HB LEU 41 79.445 34.795 -1.527 322 HG LEU 41 HG LEU 41 79.500 37.282 0.123 323 HD11 LEU 41 1HD1 LEU 41 81.924 37.494 -0.449 324 HD12 LEU 41 2HD1 LEU 41 81.911 35.785 -0.882 325 HD13 LEU 41 3HD1 LEU 41 81.560 36.278 0.775 326 HD21 LEU 41 3HD2 LEU 41 78.987 38.003 -1.934 327 HD22 LEU 41 1HD2 LEU 41 79.520 36.505 -2.697 328 HD23 LEU 41 2HD2 LEU 41 80.698 37.752 -2.287 329 H LEU 42 H LEU 42 78.050 33.309 1.402 330 HA LEU 42 HA LEU 42 77.557 31.100 -0.203 331 HB2 LEU 42 1HB LEU 42 78.512 31.023 2.068 332 HB3 LEU 42 2HB LEU 42 76.923 31.401 2.729 333 HG LEU 42 HG LEU 42 77.315 28.958 1.042 334 HD11 LEU 42 1HD1 LEU 42 77.643 27.740 3.236 335 HD12 LEU 42 2HD1 LEU 42 78.042 29.308 3.937 336 HD13 LEU 42 3HD1 LEU 42 79.027 28.650 2.630 337 HD21 LEU 42 3HD2 LEU 42 75.088 29.105 1.444 338 HD22 LEU 42 1HD2 LEU 42 75.302 30.043 2.922 339 HD23 LEU 42 2HD2 LEU 42 75.559 28.298 2.940 340 H VAL 43 H VAL 43 75.250 32.363 2.208 341 HA VAL 43 HA VAL 43 73.023 30.978 1.328 342 HB VAL 43 HB VAL 43 71.659 32.708 2.433 343 HG11 VAL 43 1HG1 VAL 43 72.207 31.411 4.166 344 HG12 VAL 43 2HG1 VAL 43 73.889 31.283 3.646 345 HG13 VAL 43 3HG1 VAL 43 73.361 32.673 4.595 346 HG21 VAL 43 3HG2 VAL 43 72.493 34.791 2.112 347 HG22 VAL 43 1HG2 VAL 43 73.268 34.459 3.661 348 HG23 VAL 43 2HG2 VAL 43 74.170 34.247 2.160 349 H GLU 44 H GLU 44 74.296 34.081 0.225 350 HA GLU 44 HA GLU 44 72.135 34.798 -1.429 351 HB2 GLU 44 1HB GLU 44 73.892 36.376 -0.735 352 HB3 GLU 44 2HB GLU 44 75.060 35.506 -1.720 353 HG2 GLU 44 1HG GLU 44 72.621 36.489 -3.074 354 HG3 GLU 44 2HG GLU 44 73.804 37.691 -2.562 355 H ALA 45 H ALA 45 74.775 32.587 -1.860 356 HA ALA 45 HA ALA 45 74.585 32.409 -4.710 357 HB1 ALA 45 1HB ALA 45 76.611 31.837 -3.313 358 HB2 ALA 45 2HB ALA 45 75.779 30.342 -2.881 359 HB3 ALA 45 3HB ALA 45 76.180 30.673 -4.566 360 H VAL 46 H VAL 46 73.533 30.310 -2.032 361 HA VAL 46 HA VAL 46 72.176 28.477 -3.757 362 HB VAL 46 HB VAL 46 72.899 27.528 -1.740 363 HG11 VAL 46 1HG1 VAL 46 71.714 29.958 -0.445 364 HG12 VAL 46 2HG1 VAL 46 72.048 28.497 0.486 365 HG13 VAL 46 3HG1 VAL 46 73.360 29.336 -0.343 366 HG21 VAL 46 3HG2 VAL 46 70.409 27.172 -2.479 367 HG22 VAL 46 1HG2 VAL 46 70.997 26.498 -0.959 368 HG23 VAL 46 2HG2 VAL 46 70.057 27.990 -0.956 369 H GLU 47 H GLU 47 71.298 31.373 -2.026 370 HA GLU 47 HA GLU 47 68.479 31.005 -2.142 371 HB2 GLU 47 1HB GLU 47 69.637 32.547 -0.561 372 HB3 GLU 47 2HB GLU 47 70.020 33.596 -1.919 373 HG2 GLU 47 1HG GLU 47 67.180 32.854 -1.443 374 HG3 GLU 47 2HG GLU 47 67.939 34.047 -0.390 375 H HIS 48 H HIS 48 70.859 32.446 -4.279 376 HA HIS 48 HA HIS 48 68.988 33.702 -6.020 377 HB2 HIS 48 1HB HIS 48 71.524 34.160 -5.740 378 HB3 HIS 48 2HB HIS 48 71.735 32.825 -6.868 379 HD1 HIS 48 HD1 HIS 48 70.293 36.299 -6.667 380 HD2 HIS 48 HD2 HIS 48 71.245 33.428 -9.516 381 HE1 HIS 48 HE1 HIS 48 70.062 37.454 -8.889 382 H LEU 49 H LEU 49 70.620 30.574 -5.994 383 HA LEU 49 HA LEU 49 69.367 29.800 -8.502 384 HB2 LEU 49 1HB LEU 49 71.148 28.231 -6.643 385 HB3 LEU 49 2HB LEU 49 70.626 27.722 -8.248 386 HG LEU 49 HG LEU 49 72.194 30.249 -7.910 387 HD11 LEU 49 1HD1 LEU 49 73.544 28.684 -6.730 388 HD12 LEU 49 2HD1 LEU 49 74.241 28.874 -8.338 389 HD13 LEU 49 3HD1 LEU 49 73.284 27.443 -7.955 390 HD21 LEU 49 3HD2 LEU 49 71.825 28.225 -10.112 391 HD22 LEU 49 1HD2 LEU 49 72.985 29.553 -10.178 392 HD23 LEU 49 2HD2 LEU 49 71.257 29.895 -10.076 393 H GLY 50 H GLY 50 68.574 29.783 -5.243 394 HA2 GLY 50 1HA GLY 50 66.924 28.757 -4.020 395 HA3 GLY 50 2HA GLY 50 66.107 28.551 -5.563 396 H THR 51 H THR 51 65.553 26.527 -5.956 397 HA THR 51 HA THR 51 66.990 24.357 -4.634 398 HB THR 51 HB THR 51 64.535 24.035 -6.348 399 HG1 THR 51 HG1 THR 51 64.763 24.969 -3.685 400 HG21 THR 51 3HG2 THR 51 66.135 22.187 -5.150 401 HG22 THR 51 1HG2 THR 51 64.428 21.942 -5.516 402 HG23 THR 51 2HG2 THR 51 64.920 22.454 -3.901 403 H GLY 52 H GLY 52 68.506 25.539 -6.608 404 HA2 GLY 52 1HA GLY 52 68.220 24.069 -9.081 405 HA3 GLY 52 2HA GLY 52 69.503 25.200 -8.679 406 H ARG 53 H ARG 53 71.368 24.161 -8.948 407 HA ARG 53 HA ARG 53 71.600 21.421 -7.897 408 HB2 ARG 53 1HB ARG 53 73.268 22.812 -10.001 409 HB3 ARG 53 2HB ARG 53 73.510 21.165 -9.435 410 HG2 ARG 53 1HG ARG 53 71.183 20.657 -10.229 411 HG3 ARG 53 2HG ARG 53 71.178 22.250 -10.988 412 HD2 ARG 53 1HD ARG 53 71.868 20.881 -12.720 413 HD3 ARG 53 2HD ARG 53 73.399 21.464 -12.069 414 HE ARG 53 HE ARG 53 73.028 19.170 -10.715 415 HH11 ARG 53 1HH1 ARG 53 72.883 19.951 -14.105 416 HH12 ARG 53 2HH1 ARG 53 73.395 18.379 -14.623 417 HH21 ARG 53 1HH2 ARG 53 73.703 17.096 -11.385 418 HH22 ARG 53 2HH2 ARG 53 73.860 16.756 -13.075 419 H TRP 54 H TRP 54 73.645 20.829 -6.901 420 HA TRP 54 HA TRP 54 74.476 22.754 -4.980 421 HB2 TRP 54 1HB TRP 54 75.906 20.171 -5.595 422 HB3 TRP 54 2HB TRP 54 75.835 21.037 -4.063 423 HD1 TRP 54 HD1 TRP 54 72.839 21.374 -3.528 424 HE1 TRP 54 HE1 TRP 54 71.282 19.353 -3.189 425 HE3 TRP 54 HE3 TRP 54 75.646 17.786 -5.849 426 HZ2 TRP 54 HZ2 TRP 54 71.247 16.602 -3.821 427 HZ3 TRP 54 HZ3 TRP 54 74.779 15.485 -5.938 428 HH2 TRP 54 HH2 TRP 54 72.626 14.907 -4.944 429 H ARG 55 H ARG 55 75.850 21.522 -7.972 430 HA ARG 55 HA ARG 55 78.420 22.672 -7.663 431 HB2 ARG 55 1HB ARG 55 76.959 21.965 -10.214 432 HB3 ARG 55 2HB ARG 55 78.687 22.246 -10.057 433 HG2 ARG 55 1HG ARG 55 77.473 20.146 -8.352 434 HG3 ARG 55 2HG ARG 55 77.650 19.816 -10.076 435 HD2 ARG 55 1HD ARG 55 79.880 20.739 -8.269 436 HD3 ARG 55 2HD ARG 55 79.579 19.058 -8.705 437 HE ARG 55 HE ARG 55 80.801 21.081 -10.339 438 HH11 ARG 55 1HH1 ARG 55 79.043 18.075 -10.343 439 HH12 ARG 55 2HH1 ARG 55 79.624 17.587 -11.901 440 HH21 ARG 55 1HH2 ARG 55 81.572 20.449 -12.391 441 HH22 ARG 55 2HH2 ARG 55 81.063 18.938 -13.064 442 H ASP 56 H ASP 56 75.384 23.849 -8.972 443 HA ASP 56 HA ASP 56 76.368 26.149 -10.263 444 HB2 ASP 56 1HB ASP 56 73.680 25.411 -9.129 445 HB3 ASP 56 2HB ASP 56 73.966 26.996 -9.842 446 H VAL 57 H VAL 57 75.063 25.688 -6.989 447 HA VAL 57 HA VAL 57 75.435 28.389 -6.191 448 HB VAL 57 HB VAL 57 73.836 27.037 -5.007 449 HG11 VAL 57 1HG1 VAL 57 76.191 25.272 -4.376 450 HG12 VAL 57 2HG1 VAL 57 74.659 25.185 -3.504 451 HG13 VAL 57 3HG1 VAL 57 74.711 24.846 -5.235 452 HG21 VAL 57 3HG2 VAL 57 74.858 28.794 -3.708 453 HG22 VAL 57 1HG2 VAL 57 74.583 27.393 -2.673 454 HG23 VAL 57 2HG2 VAL 57 76.204 27.740 -3.275 455 H LYS 58 H LYS 58 77.473 25.565 -6.207 456 HA LYS 58 HA LYS 58 79.411 26.426 -4.348 457 HB2 LYS 58 1HB LYS 58 79.262 24.103 -5.082 458 HB3 LYS 58 2HB LYS 58 79.687 24.574 -6.722 459 HG2 LYS 58 1HG LYS 58 81.625 23.649 -5.713 460 HG3 LYS 58 2HG LYS 58 81.874 25.393 -5.835 461 HD2 LYS 58 1HD LYS 58 80.640 24.444 -3.330 462 HD3 LYS 58 2HD LYS 58 82.317 23.960 -3.590 463 HE2 LYS 58 1HE LYS 58 81.255 26.782 -3.686 464 HE3 LYS 58 2HE LYS 58 82.165 26.069 -2.356 465 HZ1 LYS 58 3HZ LYS 58 83.853 27.065 -3.463 466 HZ2 LYS 58 1HZ LYS 58 83.094 26.969 -4.972 467 HZ3 LYS 58 2HZ LYS 58 83.850 25.605 -4.318 468 H PHE 59 H PHE 59 79.246 26.715 -7.885 469 HA PHE 59 HA PHE 59 81.675 28.264 -7.996 470 HB2 PHE 59 1HB PHE 59 81.250 26.860 -9.877 471 HB3 PHE 59 2HB PHE 59 79.619 27.497 -10.068 472 HD1 PHE 59 HD2 PHE 59 83.177 28.110 -10.635 473 HD2 PHE 59 HD1 PHE 59 79.232 29.630 -11.127 474 HE1 PHE 59 HE2 PHE 59 84.021 29.772 -12.240 475 HE2 PHE 59 HE1 PHE 59 80.070 31.295 -12.734 476 HZ PHE 59 HZ PHE 59 82.468 31.368 -13.291 477 H ARG 60 H ARG 60 78.224 28.869 -8.020 478 HA ARG 60 HA ARG 60 78.382 31.599 -8.805 479 HB2 ARG 60 1HB ARG 60 76.309 30.417 -9.101 480 HB3 ARG 60 2HB ARG 60 76.229 30.027 -7.388 481 HG2 ARG 60 1HG ARG 60 74.680 31.815 -7.996 482 HG3 ARG 60 2HG ARG 60 75.897 32.365 -6.843 483 HD2 ARG 60 1HD ARG 60 75.533 34.024 -8.594 484 HD3 ARG 60 2HD ARG 60 77.172 33.378 -8.662 485 HE ARG 60 HE ARG 60 75.692 31.839 -10.398 486 HH11 ARG 60 1HH1 ARG 60 76.487 35.212 -10.062 487 HH12 ARG 60 2HH1 ARG 60 76.412 35.534 -11.762 488 HH21 ARG 60 1HH2 ARG 60 75.590 32.250 -12.639 489 HH22 ARG 60 2HH2 ARG 60 75.901 33.848 -13.228 490 H ALA 61 H ALA 61 78.848 29.928 -5.826 491 HA ALA 61 HA ALA 61 78.390 32.188 -4.115 492 HB1 ALA 61 1HB ALA 61 79.790 29.576 -3.554 493 HB2 ALA 61 2HB ALA 61 79.305 30.767 -2.346 494 HB3 ALA 61 3HB ALA 61 78.080 29.918 -3.288 495 H PHE 62 H PHE 62 81.382 30.291 -4.434 496 HA PHE 62 HA PHE 62 82.974 32.530 -5.192 497 HB2 PHE 62 1HB PHE 62 84.362 32.267 -2.956 498 HB3 PHE 62 2HB PHE 62 82.993 33.370 -3.048 499 HD1 PHE 62 HD1 PHE 62 84.169 30.136 -1.775 500 HD2 PHE 62 HD2 PHE 62 80.979 32.953 -1.829 501 HE1 PHE 62 HE1 PHE 62 83.112 28.970 0.116 502 HE2 PHE 62 HE2 PHE 62 79.918 31.793 0.063 503 HZ PHE 62 HZ PHE 62 80.985 29.799 1.039 504 H GLU 63 H GLU 63 84.094 31.399 -6.662 505 HA GLU 63 HA GLU 63 85.159 28.770 -5.967 506 HB2 GLU 63 1HB GLU 63 85.695 28.558 -8.332 507 HB3 GLU 63 2HB GLU 63 84.017 29.041 -8.130 508 HG2 GLU 63 1HG GLU 63 84.371 31.141 -8.974 509 HG3 GLU 63 2HG GLU 63 86.081 31.144 -8.545 510 H ASN 64 H ASN 64 86.307 30.909 -4.575 511 HA ASN 64 HA ASN 64 89.073 30.589 -5.379 512 HB2 ASN 64 1HB ASN 64 88.169 32.664 -6.548 513 HB3 ASN 64 2HB ASN 64 88.015 33.383 -4.947 514 HD21 ASN 64 2HD2 ASN 64 89.499 34.992 -5.564 515 HD22 ASN 64 1HD2 ASN 64 91.196 34.670 -5.620 516 H VAL 65 H VAL 65 87.128 30.005 -3.118 517 HA VAL 65 HA VAL 65 88.663 31.257 -0.936 518 HB VAL 65 HB VAL 65 85.890 30.063 -0.808 519 HG11 VAL 65 1HG1 VAL 65 85.935 31.332 1.430 520 HG12 VAL 65 2HG1 VAL 65 86.794 29.794 1.324 521 HG13 VAL 65 3HG1 VAL 65 87.688 31.312 1.240 522 HG21 VAL 65 3HG2 VAL 65 86.634 32.967 -0.559 523 HG22 VAL 65 1HG2 VAL 65 86.152 32.231 -2.088 524 HG23 VAL 65 2HG2 VAL 65 85.027 32.262 -0.730 525 H HIS 66 H HIS 66 89.941 29.987 0.233 526 HA HIS 66 HA HIS 66 90.466 27.334 -0.319 527 HB2 HIS 66 1HB HIS 66 90.986 29.084 2.050 528 HB3 HIS 66 2HB HIS 66 91.337 27.362 2.169 529 HD1 HIS 66 HD1 HIS 66 93.869 27.662 2.260 530 HD2 HIS 66 HD2 HIS 66 92.126 29.328 -1.123 531 HE1 HIS 66 HE1 HIS 66 95.782 28.234 0.731 532 H HIS 67 H HIS 67 89.927 25.369 0.661 533 HA HIS 67 HA HIS 67 88.436 23.827 1.435 534 HB2 HIS 67 1HB HIS 67 89.386 24.962 3.554 535 HB3 HIS 67 2HB HIS 67 87.816 25.751 3.663 536 HD1 HIS 67 HD1 HIS 67 88.868 23.723 5.794 537 HD2 HIS 67 HD2 HIS 67 86.307 22.790 2.658 538 HE1 HIS 67 HE1 HIS 67 87.641 21.652 6.521 539 H ARG 68 H ARG 68 86.952 24.050 -0.288 540 HA ARG 68 HA ARG 68 84.399 25.224 0.546 541 HB2 ARG 68 1HB ARG 68 84.028 26.125 -1.718 542 HB3 ARG 68 2HB ARG 68 85.407 26.876 -0.926 543 HG2 ARG 68 1HG ARG 68 86.774 25.062 -2.203 544 HG3 ARG 68 2HG ARG 68 85.343 24.991 -3.233 545 HD2 ARG 68 1HD ARG 68 85.845 26.927 -4.221 546 HD3 ARG 68 2HD ARG 68 86.162 27.718 -2.678 547 HE ARG 68 HE ARG 68 88.387 27.439 -3.068 548 HH11 ARG 68 1HH1 ARG 68 86.633 25.120 -4.982 549 HH12 ARG 68 2HH1 ARG 68 88.045 24.522 -5.789 550 HH21 ARG 68 1HH2 ARG 68 90.253 26.661 -4.124 551 HH22 ARG 68 2HH2 ARG 68 90.104 25.399 -5.299 552 H THR 69 H THR 69 82.586 24.138 -0.163 553 HA THR 69 HA THR 69 82.845 21.947 -2.048 554 HB THR 69 HB THR 69 81.446 20.769 0.094 555 HG1 THR 69 HG1 THR 69 83.988 21.736 0.945 556 HG21 THR 69 3HG2 THR 69 83.192 19.964 -1.765 557 HG22 THR 69 1HG2 THR 69 82.837 19.015 -0.322 558 HG23 THR 69 2HG2 THR 69 84.278 20.029 -0.377 559 H TYR 70 H TYR 70 81.019 21.667 -3.185 560 HA TYR 70 HA TYR 70 78.933 23.453 -3.155 561 HB2 TYR 70 1HB TYR 70 77.657 21.718 -4.447 562 HB3 TYR 70 2HB TYR 70 79.273 22.043 -5.065 563 HD1 TYR 70 HD2 TYR 70 81.068 20.386 -4.774 564 HD2 TYR 70 HD1 TYR 70 77.082 19.574 -3.528 565 HE1 TYR 70 HE2 TYR 70 81.603 17.989 -4.645 566 HE2 TYR 70 HE1 TYR 70 77.606 17.174 -3.394 567 HH TYR 70 HH TYR 70 79.597 15.738 -3.112 568 H VAL 71 H VAL 71 79.069 20.270 -1.589 569 HA VAL 71 HA VAL 71 76.448 20.341 -0.533 570 HB VAL 71 HB VAL 71 77.684 18.246 -0.728 571 HG11 VAL 71 1HG1 VAL 71 79.823 19.612 0.238 572 HG12 VAL 71 2HG1 VAL 71 79.340 18.679 1.655 573 HG13 VAL 71 3HG1 VAL 71 79.718 17.855 0.142 574 HG21 VAL 71 3HG2 VAL 71 76.163 19.082 1.480 575 HG22 VAL 71 1HG2 VAL 71 76.411 17.434 0.901 576 HG23 VAL 71 2HG2 VAL 71 77.481 18.107 2.130 577 H ASP 72 H ASP 72 79.510 21.594 0.588 578 HA ASP 72 HA ASP 72 78.812 22.030 3.286 579 HB2 ASP 72 1HB ASP 72 81.138 22.085 2.401 580 HB3 ASP 72 2HB ASP 72 80.766 23.610 1.602 581 H LEU 73 H LEU 73 78.598 24.104 0.418 582 HA LEU 73 HA LEU 73 77.629 26.390 1.766 583 HB2 LEU 73 1HB LEU 73 77.078 25.646 -1.097 584 HB3 LEU 73 2HB LEU 73 77.104 27.260 -0.391 585 HG LEU 73 HG LEU 73 79.383 25.497 -1.181 586 HD11 LEU 73 1HD1 LEU 73 78.832 28.444 -1.502 587 HD12 LEU 73 2HD1 LEU 73 78.551 27.205 -2.726 588 HD13 LEU 73 3HD1 LEU 73 80.193 27.555 -2.186 589 HD21 LEU 73 3HD2 LEU 73 79.295 27.372 1.119 590 HD22 LEU 73 1HD2 LEU 73 80.726 27.394 0.088 591 HD23 LEU 73 2HD2 LEU 73 80.240 25.900 0.890 592 H LYS 74 H LYS 74 75.951 23.834 -0.051 593 HA LYS 74 HA LYS 74 73.347 24.821 0.349 594 HB2 LYS 74 1HB LYS 74 73.993 23.106 -1.343 595 HB3 LYS 74 2HB LYS 74 74.181 21.941 -0.038 596 HG2 LYS 74 1HG LYS 74 72.059 21.571 -1.032 597 HG3 LYS 74 2HG LYS 74 71.781 22.323 0.540 598 HD2 LYS 74 1HD LYS 74 71.280 24.414 -0.440 599 HD3 LYS 74 2HD LYS 74 71.913 23.914 -2.010 600 HE2 LYS 74 1HE LYS 74 70.068 22.576 -2.465 601 HE3 LYS 74 2HE LYS 74 69.610 22.460 -0.767 602 HZ1 LYS 74 3HZ LYS 74 69.579 25.142 -1.834 603 HZ2 LYS 74 1HZ LYS 74 68.436 24.344 -0.876 604 HZ3 LYS 74 2HZ LYS 74 68.454 24.100 -2.549 605 H ASP 75 H ASP 75 75.248 22.424 2.149 606 HA ASP 75 HA ASP 75 73.235 21.811 4.037 607 HB2 ASP 75 1HB ASP 75 75.367 20.491 3.505 608 HB3 ASP 75 2HB ASP 75 76.195 21.624 4.571 609 H LYS 76 H LYS 76 75.831 24.195 3.979 610 HA LYS 76 HA LYS 76 75.622 25.069 6.640 611 HB2 LYS 76 1HB LYS 76 76.717 26.214 4.114 612 HB3 LYS 76 2HB LYS 76 76.488 27.298 5.479 613 HG2 LYS 76 1HG LYS 76 77.804 24.854 6.281 614 HG3 LYS 76 2HG LYS 76 78.680 25.676 4.987 615 HD2 LYS 76 1HD LYS 76 77.697 27.429 7.133 616 HD3 LYS 76 2HD LYS 76 78.925 26.260 7.628 617 HE2 LYS 76 1HE LYS 76 79.547 27.573 5.102 618 HE3 LYS 76 2HE LYS 76 79.390 28.705 6.444 619 HZ1 LYS 76 3HZ LYS 76 81.552 28.142 6.702 620 HZ2 LYS 76 1HZ LYS 76 81.373 26.613 5.999 621 HZ3 LYS 76 2HZ LYS 76 80.885 26.871 7.597 622 H TRP 77 H TRP 77 73.988 26.145 3.688 623 HA TRP 77 HA TRP 77 72.611 28.316 4.845 624 HB2 TRP 77 1HB TRP 77 72.749 28.270 2.480 625 HB3 TRP 77 2HB TRP 77 72.098 26.635 2.397 626 HD1 TRP 77 HD1 TRP 77 70.935 30.233 3.202 627 HE1 TRP 77 HE1 TRP 77 68.422 30.398 2.669 628 HE3 TRP 77 HE3 TRP 77 70.035 25.343 2.016 629 HZ2 TRP 77 HZ2 TRP 77 66.335 28.682 1.854 630 HZ3 TRP 77 HZ3 TRP 77 67.753 24.686 1.370 631 HH2 TRP 77 HH2 TRP 77 65.942 26.323 1.292 632 H LYS 78 H LYS 78 71.545 24.988 4.154 633 HA LYS 78 HA LYS 78 68.969 25.214 5.210 634 HB2 LYS 78 1HB LYS 78 69.636 23.323 3.833 635 HB3 LYS 78 2HB LYS 78 70.783 22.800 5.059 636 HG2 LYS 78 1HG LYS 78 68.882 21.399 5.229 637 HG3 LYS 78 2HG LYS 78 68.844 22.493 6.614 638 HD2 LYS 78 1HD LYS 78 67.095 23.757 5.717 639 HD3 LYS 78 2HD LYS 78 67.364 23.139 4.085 640 HE2 LYS 78 1HE LYS 78 65.384 22.113 4.943 641 HE3 LYS 78 2HE LYS 78 66.653 20.890 4.901 642 HZ1 LYS 78 3HZ LYS 78 67.036 21.503 7.318 643 HZ2 LYS 78 1HZ LYS 78 65.627 20.634 6.966 644 HZ3 LYS 78 2HZ LYS 78 65.544 22.299 7.252 645 H THR 79 H THR 79 71.980 24.144 6.763 646 HA THR 79 HA THR 79 70.922 23.523 9.271 647 HB THR 79 HB THR 79 73.674 24.642 8.705 648 HG1 THR 79 HG1 THR 79 72.901 21.909 8.869 649 HG21 THR 79 3HG2 THR 79 73.141 24.644 11.075 650 HG22 THR 79 1HG2 THR 79 74.313 23.374 10.725 651 HG23 THR 79 2HG2 THR 79 72.617 22.963 10.982 652 H LEU 80 H LEU 80 72.417 26.562 8.161 653 HA LEU 80 HA LEU 80 72.090 28.012 10.519 654 HB2 LEU 80 1HB LEU 80 72.916 29.740 9.352 655 HB3 LEU 80 2HB LEU 80 73.210 28.514 8.121 656 HG LEU 80 HG LEU 80 70.826 29.210 7.286 657 HD11 LEU 80 1HD1 LEU 80 71.263 31.943 7.878 658 HD12 LEU 80 2HD1 LEU 80 71.255 31.057 9.403 659 HD13 LEU 80 3HD1 LEU 80 69.881 30.934 8.305 660 HD21 LEU 80 3HD2 LEU 80 71.996 30.030 5.583 661 HD22 LEU 80 1HD2 LEU 80 73.442 29.840 6.574 662 HD23 LEU 80 2HD2 LEU 80 72.584 31.381 6.554 663 H VAL 81 H VAL 81 69.832 27.282 7.957 664 HA VAL 81 HA VAL 81 67.866 29.210 8.598 665 HB VAL 81 HB VAL 81 68.039 26.848 6.878 666 HG11 VAL 81 1HG1 VAL 81 65.538 26.667 6.679 667 HG12 VAL 81 2HG1 VAL 81 66.228 25.990 8.155 668 HG13 VAL 81 3HG1 VAL 81 65.427 27.561 8.195 669 HG21 VAL 81 3HG2 VAL 81 67.929 28.606 5.504 670 HG22 VAL 81 1HG2 VAL 81 66.197 28.616 5.836 671 HG23 VAL 81 2HG2 VAL 81 67.279 29.654 6.764 672 H HIS 82 H HIS 82 68.275 25.816 9.558 673 HA HIS 82 HA HIS 82 65.928 25.602 11.084 674 HB2 HIS 82 1HB HIS 82 67.468 23.726 10.301 675 HB3 HIS 82 2HB HIS 82 68.495 24.130 11.674 676 HD1 HIS 82 HD1 HIS 82 67.853 21.550 12.293 677 HD2 HIS 82 HD2 HIS 82 64.848 24.394 12.680 678 HE1 HIS 82 HE1 HIS 82 66.115 20.495 13.772 679 H THR 83 H THR 83 69.213 26.576 11.969 680 HA THR 83 HA THR 83 68.653 26.866 14.748 681 HB THR 83 HB THR 83 70.893 28.073 13.112 682 HG1 THR 83 HG1 THR 83 71.447 26.020 13.066 683 HG21 THR 83 3HG2 THR 83 72.026 28.057 15.408 684 HG22 THR 83 1HG2 THR 83 70.402 27.883 16.073 685 HG23 THR 83 2HG2 THR 83 70.815 29.305 15.113 686 H ALA 84 H ALA 84 68.376 28.943 11.963 687 HA ALA 84 HA ALA 84 68.055 31.358 13.508 688 HB1 ALA 84 1HB ALA 84 68.105 30.650 10.638 689 HB2 ALA 84 2HB ALA 84 67.185 32.087 11.088 690 HB3 ALA 84 3HB ALA 84 68.897 31.971 11.497 691 H SER 85 H SER 85 66.086 28.750 12.754 692 HA SER 85 HA SER 85 63.624 30.341 12.849 693 HB2 SER 85 1HB SER 85 64.166 28.375 11.152 694 HB3 SER 85 2HB SER 85 63.582 27.377 12.484 695 HG SER 85 HG SER 85 61.718 27.839 11.587 696 H ILE 86 H ILE 86 65.541 28.099 14.667 697 HA ILE 86 HA ILE 86 63.477 27.432 16.556 698 HB ILE 86 HB ILE 86 65.209 26.298 17.812 699 HG12 ILE 86 1HG1 ILE 86 67.160 27.515 15.845 700 HG13 ILE 86 2HG1 ILE 86 66.979 28.001 17.527 701 HG21 ILE 86 1HG2 ILE 86 64.971 24.633 16.367 702 HG22 ILE 86 2HG2 ILE 86 64.570 25.784 15.093 703 HG23 ILE 86 3HG2 ILE 86 66.250 25.319 15.365 704 HD11 ILE 86 3HD1 ILE 86 68.909 26.508 17.090 705 HD12 ILE 86 1HD1 ILE 86 67.777 25.886 18.290 706 HD13 ILE 86 2HD1 ILE 86 67.769 25.237 16.650 707 H ALA 87 H ALA 87 64.498 27.655 19.006 708 HA ALA 87 HA ALA 87 64.542 30.550 19.426 709 HB1 ALA 87 1HB ALA 87 63.200 28.468 20.705 710 HB2 ALA 87 2HB ALA 87 64.430 28.998 21.852 711 HB3 ALA 87 3HB ALA 87 63.270 30.158 21.205 712 HA PRO 88 HA PRO 88 68.720 30.768 20.751 713 HB2 PRO 88 1HB PRO 88 68.579 32.488 22.846 714 HB3 PRO 88 2HB PRO 88 68.371 33.001 21.167 715 HG2 PRO 88 1HG PRO 88 66.293 32.423 23.243 716 HG3 PRO 88 2HG PRO 88 66.366 33.753 22.072 717 HD2 PRO 88 1HD PRO 88 64.813 31.567 21.698 718 HD3 PRO 88 2HD PRO 88 65.560 32.449 20.351 719 H GLN 89 H GLN 89 66.444 30.359 23.457 720 HA GLN 89 HA GLN 89 68.274 29.394 25.336 721 HB2 GLN 89 1HB GLN 89 66.293 28.416 26.470 722 HB3 GLN 89 2HB GLN 89 66.067 30.099 26.011 723 HG2 GLN 89 1HG GLN 89 64.639 29.529 24.229 724 HG3 GLN 89 2HG GLN 89 65.089 27.826 24.314 725 HE21 GLN 89 2HE2 GLN 89 64.309 26.567 26.051 726 HE22 GLN 89 1HE2 GLN 89 62.892 27.033 26.923 727 H GLN 90 H GLN 90 66.904 27.893 22.564 728 HA GLN 90 HA GLN 90 67.356 25.187 23.447 729 HB2 GLN 90 1HB GLN 90 66.698 26.317 20.722 730 HB3 GLN 90 2HB GLN 90 66.787 24.601 21.094 731 HG2 GLN 90 1HG GLN 90 65.028 25.151 22.909 732 HG3 GLN 90 2HG GLN 90 64.768 26.620 21.968 733 HE21 GLN 90 2HE2 GLN 90 62.817 24.661 22.386 734 HE22 GLN 90 1HE2 GLN 90 62.436 23.935 20.865 735 H ARG 91 H ARG 91 68.896 27.420 21.154 736 HA ARG 91 HA ARG 91 71.451 26.143 21.600 737 HB2 ARG 91 1HB ARG 91 69.973 25.927 19.001 738 HB3 ARG 91 2HB ARG 91 71.730 26.004 19.005 739 HG2 ARG 91 1HG ARG 91 71.649 23.788 19.204 740 HG3 ARG 91 2HG ARG 91 71.231 24.089 20.891 741 HD2 ARG 91 1HD ARG 91 69.075 23.486 20.601 742 HD3 ARG 91 2HD ARG 91 68.988 24.189 18.986 743 HE ARG 91 HE ARG 91 70.619 21.892 18.934 744 HH11 ARG 91 1HH1 ARG 91 67.285 22.840 19.257 745 HH12 ARG 91 2HH1 ARG 91 66.666 21.367 18.586 746 HH21 ARG 91 1HH2 ARG 91 69.816 19.949 18.049 747 HH22 ARG 91 2HH2 ARG 91 68.107 19.723 17.900 748 H ARG 92 H ARG 92 72.398 28.005 22.239 749 HA ARG 92 HA ARG 92 71.931 30.568 21.317 750 HB2 ARG 92 1HB ARG 92 74.287 29.246 22.606 751 HB3 ARG 92 2HB ARG 92 74.437 30.900 22.027 752 HG2 ARG 92 1HG ARG 92 72.064 30.356 23.674 753 HG3 ARG 92 2HG ARG 92 73.617 30.227 24.503 754 HD2 ARG 92 1HD ARG 92 73.208 32.453 24.797 755 HD3 ARG 92 2HD ARG 92 74.072 32.510 23.261 756 HE ARG 92 HE ARG 92 71.355 32.240 22.701 757 HH11 ARG 92 1HH1 ARG 92 73.523 34.557 24.133 758 HH12 ARG 92 2HH1 ARG 92 72.567 35.928 23.678 759 HH21 ARG 92 1HH2 ARG 92 70.088 34.037 22.095 760 HH22 ARG 92 2HH2 ARG 92 70.613 35.631 22.519 761 H GLY 93 H GLY 93 71.860 31.013 19.185 762 HA2 GLY 93 1HA GLY 93 73.601 29.858 17.257 763 HA3 GLY 93 2HA GLY 93 72.528 31.224 16.994 764 H ALA 94 H ALA 94 75.271 30.796 16.060 765 HA ALA 94 HA ALA 94 77.211 32.187 17.443 766 HB1 ALA 94 1HB ALA 94 76.778 31.362 14.695 767 HB2 ALA 94 2HB ALA 94 77.691 32.867 14.808 768 HB3 ALA 94 3HB ALA 94 78.268 31.422 15.637 769 HA PRO 95 HA PRO 95 76.185 36.453 17.435 770 HB2 PRO 95 1HB PRO 95 78.579 37.634 16.943 771 HB3 PRO 95 2HB PRO 95 78.196 36.843 18.476 772 HG2 PRO 95 1HG PRO 95 79.755 35.798 16.144 773 HG3 PRO 95 2HG PRO 95 80.106 35.660 17.877 774 HD2 PRO 95 1HD PRO 95 79.001 33.642 16.449 775 HD3 PRO 95 2HD PRO 95 78.631 33.912 18.165 776 H VAL 96 H VAL 96 74.921 36.074 15.393 777 HA VAL 96 HA VAL 96 76.152 37.541 13.150 778 HB VAL 96 HB VAL 96 74.446 36.262 11.719 779 HG11 VAL 96 1HG1 VAL 96 75.977 34.242 11.628 780 HG12 VAL 96 2HG1 VAL 96 76.743 35.817 11.412 781 HG13 VAL 96 3HG1 VAL 96 76.867 34.980 12.960 782 HG21 VAL 96 3HG2 VAL 96 73.447 34.343 12.515 783 HG22 VAL 96 1HG2 VAL 96 74.611 34.153 13.826 784 HG23 VAL 96 2HG2 VAL 96 73.359 35.391 13.930 785 HA PRO 97 HA PRO 97 72.865 40.444 13.334 786 HB2 PRO 97 1HB PRO 97 72.524 41.047 10.709 787 HB3 PRO 97 2HB PRO 97 73.925 41.582 11.643 788 HG2 PRO 97 1HG PRO 97 73.677 39.272 9.755 789 HG3 PRO 97 2HG PRO 97 74.996 40.445 9.920 790 HD2 PRO 97 1HD PRO 97 75.119 37.957 10.981 791 HD3 PRO 97 2HD PRO 97 75.905 39.358 11.737 792 H GLN 98 H GLN 98 70.673 40.497 13.352 793 HA GLN 98 HA GLN 98 69.191 38.179 12.861 794 HB2 GLN 98 1HB GLN 98 68.496 41.026 13.438 795 HB3 GLN 98 2HB GLN 98 67.218 39.931 12.930 796 HG2 GLN 98 1HG GLN 98 67.127 39.814 15.234 797 HG3 GLN 98 2HG GLN 98 68.080 38.395 14.801 798 HE21 GLN 98 2HE2 GLN 98 69.865 38.099 15.915 799 HE22 GLN 98 1HE2 GLN 98 70.756 39.315 16.758 800 H GLU 99 H GLU 99 69.909 40.927 10.825 801 HA GLU 99 HA GLU 99 67.943 40.587 8.864 802 HB2 GLU 99 1HB GLU 99 69.296 41.957 7.454 803 HB3 GLU 99 2HB GLU 99 69.498 42.547 9.098 804 HG2 GLU 99 1HG GLU 99 71.549 40.829 8.990 805 HG3 GLU 99 2HG GLU 99 71.440 41.269 7.286 806 H LEU 100 H LEU 100 71.029 38.988 9.351 807 HA LEU 100 HA LEU 100 71.185 37.710 6.836 808 HB2 LEU 100 1HB LEU 100 72.561 37.581 9.402 809 HB3 LEU 100 2HB LEU 100 72.472 36.021 8.588 810 HG LEU 100 HG LEU 100 73.649 36.882 6.681 811 HD11 LEU 100 1HD1 LEU 100 73.252 39.019 6.165 812 HD12 LEU 100 2HD1 LEU 100 74.565 39.387 7.282 813 HD13 LEU 100 3HD1 LEU 100 72.892 39.455 7.835 814 HD21 LEU 100 3HD2 LEU 100 74.750 36.553 9.179 815 HD22 LEU 100 1HD2 LEU 100 75.392 38.112 8.663 816 HD23 LEU 100 2HD2 LEU 100 75.644 36.681 7.663 817 H LEU 101 H LEU 101 69.911 36.640 9.973 818 HA LEU 101 HA LEU 101 69.149 34.057 9.092 819 HB2 LEU 101 1HB LEU 101 68.089 35.698 11.389 820 HB3 LEU 101 2HB LEU 101 67.820 33.972 11.152 821 HG LEU 101 HG LEU 101 69.510 33.854 12.658 822 HD11 LEU 101 1HD1 LEU 101 70.282 32.934 10.426 823 HD12 LEU 101 2HD1 LEU 101 71.540 33.287 11.610 824 HD13 LEU 101 3HD1 LEU 101 71.253 34.398 10.271 825 HD21 LEU 101 3HD2 LEU 101 69.904 36.612 11.898 826 HD22 LEU 101 1HD2 LEU 101 71.443 35.782 12.126 827 HD23 LEU 101 2HD2 LEU 101 70.252 35.803 13.427 828 H ASP 102 H ASP 102 67.689 37.180 8.845 829 HA ASP 102 HA ASP 102 65.011 36.291 8.412 830 HB2 ASP 102 1HB ASP 102 65.597 38.590 9.163 831 HB3 ASP 102 2HB ASP 102 66.290 38.901 7.574 832 H ARG 103 H ARG 103 67.655 37.292 6.264 833 HA ARG 103 HA ARG 103 66.217 36.966 3.854 834 HB2 ARG 103 1HB ARG 103 68.503 36.900 2.806 835 HB3 ARG 103 2HB ARG 103 68.193 38.302 3.822 836 HG2 ARG 103 1HG ARG 103 69.480 37.339 5.619 837 HG3 ARG 103 2HG ARG 103 69.708 35.852 4.696 838 HD2 ARG 103 1HD ARG 103 71.688 37.289 4.600 839 HD3 ARG 103 2HD ARG 103 70.963 37.073 3.008 840 HE ARG 103 HE ARG 103 69.943 39.409 4.213 841 HH11 ARG 103 1HH1 ARG 103 72.845 38.150 2.761 842 HH12 ARG 103 2HH1 ARG 103 73.405 39.700 2.225 843 HH21 ARG 103 1HH2 ARG 103 70.669 41.455 3.513 844 HH22 ARG 103 2HH2 ARG 103 72.167 41.579 2.654 845 H VAL 104 H VAL 104 68.284 34.797 5.725 846 HA VAL 104 HA VAL 104 68.340 32.684 3.848 847 HB VAL 104 HB VAL 104 68.585 32.436 6.847 848 HG11 VAL 104 1HG1 VAL 104 69.227 30.317 6.530 849 HG12 VAL 104 2HG1 VAL 104 68.484 30.471 4.937 850 HG13 VAL 104 3HG1 VAL 104 70.218 30.732 5.132 851 HG21 VAL 104 3HG2 VAL 104 70.557 33.466 6.787 852 HG22 VAL 104 1HG2 VAL 104 71.086 32.488 5.418 853 HG23 VAL 104 2HG2 VAL 104 70.175 33.973 5.141 854 H LEU 105 H LEU 105 66.268 33.316 6.661 855 HA LEU 105 HA LEU 105 64.729 30.944 6.379 856 HB2 LEU 105 1HB LEU 105 64.566 33.435 7.972 857 HB3 LEU 105 2HB LEU 105 63.072 32.525 7.756 858 HG LEU 105 HG LEU 105 64.308 32.037 9.872 859 HD11 LEU 105 1HD1 LEU 105 64.278 29.479 9.430 860 HD12 LEU 105 2HD1 LEU 105 63.628 29.939 7.857 861 HD13 LEU 105 3HD1 LEU 105 62.777 30.399 9.331 862 HD21 LEU 105 3HD2 LEU 105 66.576 32.149 9.198 863 HD22 LEU 105 1HD2 LEU 105 66.329 30.961 7.919 864 HD23 LEU 105 2HD2 LEU 105 66.262 30.463 9.609 865 H ALA 106 H ALA 106 64.092 34.340 5.525 866 HA ALA 106 HA ALA 106 61.559 34.080 4.464 867 HB1 ALA 106 1HB ALA 106 61.971 36.106 3.250 868 HB2 ALA 106 2HB ALA 106 62.787 36.216 4.810 869 HB3 ALA 106 3HB ALA 106 63.715 35.867 3.351 870 H ALA 107 H ALA 107 64.673 33.637 2.809 871 HA ALA 107 HA ALA 107 63.580 33.052 0.270 872 HB1 ALA 107 1HB ALA 107 66.254 32.451 1.510 873 HB2 ALA 107 2HB ALA 107 65.852 32.029 -0.156 874 HB3 ALA 107 3HB ALA 107 65.846 33.718 0.352 875 H GLN 108 H GLN 108 64.629 30.977 2.949 876 HA GLN 108 HA GLN 108 64.341 28.499 1.747 877 HB2 GLN 108 1HB GLN 108 65.190 29.151 4.118 878 HB3 GLN 108 2HB GLN 108 63.512 28.937 4.597 879 HG2 GLN 108 1HG GLN 108 64.771 26.757 3.041 880 HG3 GLN 108 2HG GLN 108 65.294 26.978 4.710 881 HE21 GLN 108 2HE2 GLN 108 63.840 24.766 3.538 882 HE22 GLN 108 1HE2 GLN 108 62.349 24.646 4.402 883 H ALA 109 H ALA 109 61.899 30.407 3.486 884 HA ALA 109 HA ALA 109 59.797 28.541 3.158 885 HB1 ALA 109 1HB ALA 109 60.096 30.746 4.659 886 HB2 ALA 109 2HB ALA 109 59.091 31.399 3.365 887 HB3 ALA 109 3HB ALA 109 58.529 30.017 4.305 888 H TYR 110 H TYR 110 60.842 31.343 1.273 889 HA TYR 110 HA TYR 110 58.687 31.429 -0.519 890 HB2 TYR 110 1HB TYR 110 61.477 32.455 -0.504 891 HB3 TYR 110 2HB TYR 110 60.655 32.390 -2.059 892 HD1 TYR 110 HD1 TYR 110 59.465 33.254 1.379 893 HD2 TYR 110 HD2 TYR 110 59.998 34.525 -2.647 894 HE1 TYR 110 HE1 TYR 110 58.325 35.370 1.902 895 HE2 TYR 110 HE2 TYR 110 58.860 36.644 -2.135 896 HH TYR 110 HH TYR 110 58.497 37.912 0.647 897 H TRP 111 H TRP 111 61.748 29.660 -0.636 898 HA TRP 111 HA TRP 111 61.157 28.498 -3.207 899 HB2 TRP 111 1HB TRP 111 63.358 28.041 -1.192 900 HB3 TRP 111 2HB TRP 111 63.224 27.112 -2.683 901 HD1 TRP 111 HD1 TRP 111 65.226 29.754 -1.497 902 HE1 TRP 111 HE1 TRP 111 65.948 31.393 -3.346 903 HE3 TRP 111 HE3 TRP 111 61.823 28.474 -5.091 904 HZ2 TRP 111 HZ2 TRP 111 65.176 32.056 -5.979 905 HZ3 TRP 111 HZ3 TRP 111 61.882 29.659 -7.246 906 HH2 TRP 111 HH2 TRP 111 63.524 31.413 -7.679 907 H SER 112 H SER 112 60.440 27.783 0.054 908 HA SER 112 HA SER 112 60.333 24.999 0.059 909 HB2 SER 112 1HB SER 112 60.000 26.594 2.025 910 HB3 SER 112 2HB SER 112 58.331 26.756 1.481 911 HG SER 112 HG SER 112 59.436 24.798 2.929 912 H VAL 113 H VAL 113 58.004 23.927 0.438 913 HA VAL 113 HA VAL 113 56.075 23.159 -0.503 914 HB VAL 113 HB VAL 113 55.886 25.708 -2.093 915 HG11 VAL 113 1HG1 VAL 113 53.405 25.239 -1.517 916 HG12 VAL 113 2HG1 VAL 113 54.191 24.278 -2.772 917 HG13 VAL 113 3HG1 VAL 113 53.970 23.609 -1.155 918 HG21 VAL 113 3HG2 VAL 113 55.937 26.832 -0.159 919 HG22 VAL 113 1HG2 VAL 113 54.356 26.114 0.154 920 HG23 VAL 113 2HG2 VAL 113 55.812 25.358 0.801 921 H ASP 114 H ASP 114 58.860 23.395 -1.963 922 HA ASP 114 HA ASP 114 58.169 21.702 -4.126 923 HB2 ASP 114 1HB ASP 114 57.480 24.017 -4.970 924 HB3 ASP 114 2HB ASP 114 59.201 24.395 -5.008 925 H SER 115 H SER 115 59.853 20.405 -4.420 926 HA SER 115 HA SER 115 62.546 21.354 -4.555 927 HB2 SER 115 1HB SER 115 62.155 21.329 -2.083 928 HB3 SER 115 2HB SER 115 61.850 19.595 -2.191 929 HG SER 115 HG SER 115 64.239 21.005 -2.415 930 H SER 116 H SER 116 64.106 19.459 -4.725 931 HA SER 116 HA SER 116 62.754 17.150 -5.960 932 HB2 SER 116 1HB SER 116 63.767 18.688 -7.649 933 HB3 SER 116 2HB SER 116 65.342 18.402 -6.908 934 HG SER 116 HG SER 116 63.758 16.702 -8.454 935 H GLY 117 H GLY 117 63.761 17.471 -3.239 936 HA2 GLY 117 1HA GLY 117 65.982 15.523 -3.284 937 HA3 GLY 117 2HA GLY 117 65.708 16.680 -1.990 938 H ARG 118 H ARG 118 66.026 13.910 -1.591 939 HA ARG 118 HA ARG 118 63.642 12.467 -1.387 940 HB2 ARG 118 1HB ARG 118 66.085 11.682 -1.088 941 HB3 ARG 118 2HB ARG 118 65.891 12.179 0.587 942 HG2 ARG 118 1HG ARG 118 63.844 10.376 -0.590 943 HG3 ARG 118 2HG ARG 118 65.426 9.707 -0.184 944 HD2 ARG 118 1HD ARG 118 65.128 9.998 2.057 945 HD3 ARG 118 2HD ARG 118 64.096 11.412 1.846 946 HE ARG 118 HE ARG 118 62.263 10.031 1.770 947 HH11 ARG 118 1HH1 ARG 118 65.166 8.133 1.479 948 HH12 ARG 118 2HH1 ARG 118 64.348 6.616 1.650 949 HH21 ARG 118 1HH2 ARG 118 61.173 8.040 1.997 950 HH22 ARG 118 2HH2 ARG 118 62.076 6.564 1.944 951 H ILE 119 H ILE 119 62.094 12.267 0.173 952 HA ILE 119 HA ILE 119 61.424 14.460 1.740 953 HB ILE 119 HB ILE 119 60.591 11.599 2.233 954 HG12 ILE 119 1HG1 ILE 119 60.146 12.227 -0.076 955 HG13 ILE 119 2HG1 ILE 119 58.634 12.160 0.823 956 HG21 ILE 119 1HG2 ILE 119 58.514 13.385 2.814 957 HG22 ILE 119 2HG2 ILE 119 59.463 12.432 3.954 958 HG23 ILE 119 3HG2 ILE 119 59.963 14.074 3.547 959 HD11 ILE 119 3HD1 ILE 119 60.158 14.618 0.003 960 HD12 ILE 119 1HD1 ILE 119 58.593 14.071 -0.599 961 HD13 ILE 119 2HD1 ILE 119 58.752 14.630 1.067 962 H VAL 120 H VAL 120 62.885 15.234 3.172 963 HA VAL 120 HA VAL 120 64.201 13.421 5.037 964 HB VAL 120 HB VAL 120 65.487 15.361 5.761 965 HG11 VAL 120 1HG1 VAL 120 65.437 15.486 2.767 966 HG12 VAL 120 2HG1 VAL 120 66.819 15.573 3.861 967 HG13 VAL 120 3HG1 VAL 120 65.986 14.038 3.610 968 HG21 VAL 120 3HG2 VAL 120 65.094 17.464 4.213 969 HG22 VAL 120 1HG2 VAL 120 63.453 16.819 4.154 970 HG23 VAL 120 2HG2 VAL 120 64.181 17.239 5.705 971 H THR 121 H THR 121 63.741 13.258 7.161 972 HA THR 121 HA THR 121 61.437 14.794 8.146 973 HB THR 121 HB THR 121 61.249 12.306 8.152 974 HG1 THR 121 HG1 THR 121 59.924 13.021 9.665 975 HG21 THR 121 3HG2 THR 121 62.724 10.943 9.173 976 HG22 THR 121 1HG2 THR 121 62.939 12.037 10.539 977 HG23 THR 121 2HG2 THR 121 63.824 12.314 9.039 978 H LEU 122 H LEU 122 64.190 15.807 8.083 979 HA LEU 122 HA LEU 122 64.296 16.805 10.763 980 HB2 LEU 122 1HB LEU 122 65.524 14.473 10.611 981 HB3 LEU 122 2HB LEU 122 66.823 15.462 9.947 982 HG LEU 122 HG LEU 122 65.557 16.063 12.607 983 HD11 LEU 122 1HD1 LEU 122 67.257 14.799 13.698 984 HD12 LEU 122 2HD1 LEU 122 68.038 14.415 12.165 985 HD13 LEU 122 3HD1 LEU 122 66.457 13.732 12.543 986 HD21 LEU 122 3HD2 LEU 122 67.896 17.017 11.050 987 HD22 LEU 122 1HD2 LEU 122 68.063 16.914 12.803 988 HD23 LEU 122 2HD2 LEU 122 66.789 17.907 12.096 Start of MODEL 5 1 H1 GLY 1 H GLY 1 100.099 62.970 23.908 2 HA2 GLY 1 1HA GLY 1 100.528 61.564 21.733 3 HA3 GLY 1 2HA GLY 1 98.926 61.538 22.455 4 H SER 2 H SER 2 97.434 63.311 21.707 5 HA SER 2 HA SER 2 97.943 64.022 18.898 6 HB2 SER 2 1HB SER 2 96.102 62.958 18.134 7 HB3 SER 2 2HB SER 2 96.184 62.044 19.640 8 HG SER 2 HG SER 2 94.168 63.382 18.912 9 HA PRO 3 HA PRO 3 96.516 68.058 19.852 10 HB2 PRO 3 1HB PRO 3 95.133 68.737 17.617 11 HB3 PRO 3 2HB PRO 3 96.896 68.610 17.655 12 HG2 PRO 3 1HG PRO 3 94.874 66.633 16.672 13 HG3 PRO 3 2HG PRO 3 96.417 67.112 15.942 14 HD2 PRO 3 1HD PRO 3 96.127 64.826 17.363 15 HD3 PRO 3 2HD PRO 3 97.645 65.745 17.333 16 H PHE 4 H PHE 4 93.999 65.937 18.519 17 HA PHE 4 HA PHE 4 91.796 65.674 19.017 18 HB2 PHE 4 1HB PHE 4 92.998 65.545 21.365 19 HB3 PHE 4 2HB PHE 4 92.150 67.064 21.641 20 HD1 PHE 4 HD2 PHE 4 91.537 63.574 20.497 21 HD2 PHE 4 HD1 PHE 4 89.996 67.022 22.459 22 HE1 PHE 4 HE2 PHE 4 89.502 62.324 21.088 23 HE2 PHE 4 HE1 PHE 4 87.959 65.777 23.054 24 HZ PHE 4 HZ PHE 4 87.709 63.425 22.367 25 H ALA 5 H ALA 5 92.670 68.103 17.694 26 HA ALA 5 HA ALA 5 90.623 70.009 18.619 27 HB1 ALA 5 1HB ALA 5 92.037 71.498 16.916 28 HB2 ALA 5 2HB ALA 5 92.475 71.317 18.615 29 HB3 ALA 5 3HB ALA 5 93.292 70.350 17.386 30 H ASP 6 H ASP 6 88.833 70.141 17.451 31 HA ASP 6 HA ASP 6 88.888 69.185 14.670 32 HB2 ASP 6 1HB ASP 6 87.329 68.150 16.462 33 HB3 ASP 6 2HB ASP 6 86.382 69.623 16.272 34 HA PRO 7 HA PRO 7 88.505 73.657 13.965 35 HB2 PRO 7 1HB PRO 7 89.413 73.538 11.409 36 HB3 PRO 7 2HB PRO 7 90.490 73.571 12.811 37 HG2 PRO 7 1HG PRO 7 89.586 71.235 11.171 38 HG3 PRO 7 2HG PRO 7 91.204 71.604 11.797 39 HD2 PRO 7 1HD PRO 7 89.554 69.817 12.987 40 HD3 PRO 7 2HD PRO 7 90.708 70.808 13.902 41 H ASN 8 H ASN 8 87.338 70.941 12.065 42 HA ASN 8 HA ASN 8 85.081 72.612 11.175 43 HB2 ASN 8 1HB ASN 8 86.764 71.906 9.367 44 HB3 ASN 8 2HB ASN 8 86.134 70.277 9.588 45 HD21 ASN 8 2HD2 ASN 8 84.805 73.557 9.286 46 HD22 ASN 8 1HD2 ASN 8 83.606 73.143 8.113 47 H SER 9 H SER 9 83.172 71.934 11.876 48 HA SER 9 HA SER 9 82.841 69.082 12.533 49 HB2 SER 9 1HB SER 9 83.074 70.503 14.580 50 HB3 SER 9 2HB SER 9 81.631 71.384 14.082 51 HG SER 9 HG SER 9 80.579 69.256 14.087 52 H LEU 10 H LEU 10 82.163 69.942 10.065 53 HA LEU 10 HA LEU 10 79.231 69.860 10.163 54 HB2 LEU 10 1HB LEU 10 80.154 72.171 9.658 55 HB3 LEU 10 2HB LEU 10 80.739 71.494 8.139 56 HG LEU 10 HG LEU 10 77.836 71.353 8.886 57 HD11 LEU 10 1HD1 LEU 10 79.039 73.578 7.268 58 HD12 LEU 10 2HD1 LEU 10 78.737 73.724 8.999 59 HD13 LEU 10 3HD1 LEU 10 77.395 73.435 7.892 60 HD21 LEU 10 3HD2 LEU 10 78.079 71.698 6.182 61 HD22 LEU 10 1HD2 LEU 10 77.895 70.147 7.003 62 HD23 LEU 10 2HD2 LEU 10 79.502 70.729 6.569 63 H ALA 11 H ALA 11 78.454 68.204 9.043 64 HA ALA 11 HA ALA 11 79.329 67.464 6.466 65 HB1 ALA 11 1HB ALA 11 80.869 66.367 8.591 66 HB2 ALA 11 2HB ALA 11 79.945 65.066 7.838 67 HB3 ALA 11 3HB ALA 11 81.010 66.073 6.858 68 H LEU 12 H LEU 12 78.493 65.031 6.051 69 HA LEU 12 HA LEU 12 75.709 65.135 6.282 70 HB2 LEU 12 1HB LEU 12 77.491 62.759 5.762 71 HB3 LEU 12 2HB LEU 12 75.748 62.793 5.504 72 HG LEU 12 HG LEU 12 77.685 64.588 4.051 73 HD11 LEU 12 1HD1 LEU 12 77.728 61.935 3.747 74 HD12 LEU 12 2HD1 LEU 12 77.966 63.058 2.409 75 HD13 LEU 12 3HD1 LEU 12 76.386 62.320 2.670 76 HD21 LEU 12 3HD2 LEU 12 74.780 64.294 4.145 77 HD22 LEU 12 1HD2 LEU 12 75.447 64.251 2.513 78 HD23 LEU 12 2HD2 LEU 12 75.769 65.633 3.560 79 H ALA 13 H ALA 13 74.526 63.026 7.161 80 HA ALA 13 HA ALA 13 74.408 63.223 9.916 81 HB1 ALA 13 1HB ALA 13 73.493 60.689 9.491 82 HB2 ALA 13 2HB ALA 13 72.542 62.160 9.280 83 HB3 ALA 13 3HB ALA 13 73.327 61.410 7.890 84 H ASN 14 H ASN 14 75.477 60.217 8.343 85 HA ASN 14 HA ASN 14 77.574 59.991 10.401 86 HB2 ASN 14 1HB ASN 14 75.612 57.960 9.393 87 HB3 ASN 14 2HB ASN 14 77.186 57.432 9.982 88 HD21 ASN 14 2HD2 ASN 14 77.782 58.551 12.140 89 HD22 ASN 14 1HD2 ASN 14 76.541 58.523 13.342 90 H VAL 15 H VAL 15 79.587 59.623 9.698 91 HA VAL 15 HA VAL 15 79.943 58.964 6.846 92 HB VAL 15 HB VAL 15 80.712 61.220 7.329 93 HG11 VAL 15 1HG1 VAL 15 81.513 60.119 9.778 94 HG12 VAL 15 2HG1 VAL 15 82.997 60.626 8.967 95 HG13 VAL 15 3HG1 VAL 15 81.698 61.788 9.238 96 HG21 VAL 15 3HG2 VAL 15 82.936 59.234 6.880 97 HG22 VAL 15 1HG2 VAL 15 81.948 60.030 5.654 98 HG23 VAL 15 2HG2 VAL 15 83.088 60.972 6.617 99 HA PRO 16 HA PRO 16 81.947 55.276 8.241 100 HB2 PRO 16 1HB PRO 16 83.070 54.573 5.871 101 HB3 PRO 16 2HB PRO 16 81.347 54.379 6.213 102 HG2 PRO 16 1HG PRO 16 82.744 56.546 4.693 103 HG3 PRO 16 2HG PRO 16 81.235 55.700 4.303 104 HD2 PRO 16 1HD PRO 16 81.275 58.168 5.416 105 HD3 PRO 16 2HD PRO 16 79.990 56.990 5.751 106 H LEU 17 H LEU 17 83.806 57.449 6.109 107 HA LEU 17 HA LEU 17 85.978 58.121 6.131 108 HB2 LEU 17 1HB LEU 17 85.087 58.725 8.509 109 HB3 LEU 17 2HB LEU 17 86.158 57.427 9.031 110 HG LEU 17 HG LEU 17 87.981 58.740 7.739 111 HD11 LEU 17 1HD1 LEU 17 85.720 60.671 7.836 112 HD12 LEU 17 2HD1 LEU 17 86.941 60.420 6.589 113 HD13 LEU 17 3HD1 LEU 17 87.360 61.273 8.074 114 HD21 LEU 17 3HD2 LEU 17 88.707 59.382 9.759 115 HD22 LEU 17 1HD2 LEU 17 87.251 58.590 10.362 116 HD23 LEU 17 2HD2 LEU 17 87.256 60.332 10.087 117 H SER 18 H SER 18 85.398 55.340 5.588 118 HA SER 18 HA SER 18 88.079 54.296 5.937 119 HB2 SER 18 1HB SER 18 86.422 52.088 6.560 120 HB3 SER 18 2HB SER 18 87.599 52.882 7.607 121 HG SER 18 HG SER 18 84.823 53.232 7.450 122 H ARG 19 H ARG 19 87.948 51.854 4.966 123 HA ARG 19 HA ARG 19 86.277 51.899 2.560 124 HB2 ARG 19 1HB ARG 19 88.420 52.873 1.900 125 HB3 ARG 19 2HB ARG 19 89.271 51.483 2.562 126 HG2 ARG 19 1HG ARG 19 89.151 51.288 0.172 127 HG3 ARG 19 2HG ARG 19 88.141 50.043 0.911 128 HD2 ARG 19 1HD ARG 19 87.006 51.058 -0.986 129 HD3 ARG 19 2HD ARG 19 86.158 51.421 0.516 130 HE ARG 19 HE ARG 19 86.650 53.646 0.227 131 HH11 ARG 19 1HH1 ARG 19 88.538 51.734 -1.987 132 HH12 ARG 19 2HH1 ARG 19 89.108 53.102 -2.886 133 HH21 ARG 19 1HH2 ARG 19 87.394 55.454 -0.949 134 HH22 ARG 19 2HH2 ARG 19 88.458 55.217 -2.294 135 H SER 20 H SER 20 88.996 49.888 3.669 136 HA SER 20 HA SER 20 87.415 47.738 4.583 137 HB2 SER 20 1HB SER 20 86.773 47.362 2.308 138 HB3 SER 20 2HB SER 20 88.433 47.544 1.744 139 HG SER 20 HG SER 20 87.318 45.430 3.259 140 H LYS 21 H LYS 21 88.694 46.884 6.066 141 HA LYS 21 HA LYS 21 91.364 46.015 5.408 142 HB2 LYS 21 1HB LYS 21 92.410 47.258 7.308 143 HB3 LYS 21 2HB LYS 21 91.893 48.286 5.978 144 HG2 LYS 21 1HG LYS 21 89.827 48.800 7.263 145 HG3 LYS 21 2HG LYS 21 90.504 47.896 8.619 146 HD2 LYS 21 1HD LYS 21 92.426 49.421 8.662 147 HD3 LYS 21 2HD LYS 21 91.730 50.330 7.318 148 HE2 LYS 21 1HE LYS 21 91.317 51.373 9.526 149 HE3 LYS 21 2HE LYS 21 89.837 50.962 8.661 150 HZ1 LYS 21 3HZ LYS 21 89.470 49.121 10.053 151 HZ2 LYS 21 1HZ LYS 21 89.902 50.383 11.094 152 HZ3 LYS 21 2HZ LYS 21 91.029 49.183 10.706 153 H ARG 22 H ARG 22 92.424 45.249 7.653 154 HA ARG 22 HA ARG 22 92.364 43.585 9.209 155 HB2 ARG 22 1HB ARG 22 90.072 45.363 9.878 156 HB3 ARG 22 2HB ARG 22 90.171 43.818 10.711 157 HG2 ARG 22 1HG ARG 22 92.639 44.553 11.159 158 HG3 ARG 22 2HG ARG 22 91.995 46.166 10.847 159 HD2 ARG 22 1HD ARG 22 91.894 45.746 13.207 160 HD3 ARG 22 2HD ARG 22 90.252 45.740 12.564 161 HE ARG 22 HE ARG 22 90.975 43.125 12.506 162 HH11 ARG 22 1HH1 ARG 22 90.951 45.576 14.978 163 HH12 ARG 22 2HH1 ARG 22 90.677 44.456 16.270 164 HH21 ARG 22 1HH2 ARG 22 90.613 41.639 14.199 165 HH22 ARG 22 2HH2 ARG 22 90.485 42.216 15.826 166 HA PRO 23 HA PRO 23 89.500 41.016 6.605 167 HB2 PRO 23 1HB PRO 23 91.382 39.178 5.934 168 HB3 PRO 23 2HB PRO 23 91.129 40.671 5.022 169 HG2 PRO 23 1HG PRO 23 93.196 40.046 7.095 170 HG3 PRO 23 2HG PRO 23 93.382 40.896 5.550 171 HD2 PRO 23 1HD PRO 23 93.199 42.198 7.917 172 HD3 PRO 23 2HD PRO 23 92.575 42.880 6.401 173 H ASP 24 H ASP 24 88.274 39.590 7.649 174 HA ASP 24 HA ASP 24 89.247 38.318 10.063 175 HB2 ASP 24 1HB ASP 24 86.985 39.302 9.990 176 HB3 ASP 24 2HB ASP 24 86.534 38.154 8.733 177 H PHE 25 H PHE 25 89.969 36.298 10.222 178 HA PHE 25 HA PHE 25 89.030 34.127 8.678 179 HB2 PHE 25 1HB PHE 25 90.558 35.519 7.070 180 HB3 PHE 25 2HB PHE 25 91.871 34.776 7.977 181 HD1 PHE 25 HD1 PHE 25 88.607 33.533 6.661 182 HD2 PHE 25 HD2 PHE 25 92.836 33.074 6.790 183 HE1 PHE 25 HE1 PHE 25 88.427 31.517 5.262 184 HE2 PHE 25 HE2 PHE 25 92.663 31.058 5.391 185 HZ PHE 25 HZ PHE 25 90.457 30.277 4.624 186 H GLY 26 H GLY 26 90.344 32.125 9.065 187 HA2 GLY 26 1HA GLY 26 92.170 32.261 11.331 188 HA3 GLY 26 2HA GLY 26 90.650 31.426 11.615 189 H GLN 27 H GLN 27 90.836 29.302 11.474 190 HA GLN 27 HA GLN 27 92.830 28.187 9.619 191 HB2 GLN 27 1HB GLN 27 92.876 27.771 12.210 192 HB3 GLN 27 2HB GLN 27 91.617 26.598 11.846 193 HG2 GLN 27 1HG GLN 27 93.066 25.345 10.449 194 HG3 GLN 27 2HG GLN 27 94.293 26.611 10.481 195 HE21 GLN 27 2HE2 GLN 27 94.180 23.699 11.326 196 HE22 GLN 27 1HE2 GLN 27 94.839 23.703 12.922 197 H ARG 28 H ARG 28 92.290 26.229 8.487 198 HA ARG 28 HA ARG 28 89.620 26.289 7.444 199 HB2 ARG 28 1HB ARG 28 91.875 25.710 6.246 200 HB3 ARG 28 2HB ARG 28 91.565 24.088 6.853 201 HG2 ARG 28 1HG ARG 28 89.444 25.544 5.338 202 HG3 ARG 28 2HG ARG 28 90.768 24.753 4.480 203 HD2 ARG 28 1HD ARG 28 88.975 23.391 6.485 204 HD3 ARG 28 2HD ARG 28 88.737 23.337 4.739 205 HE ARG 28 HE ARG 28 91.350 22.499 5.338 206 HH11 ARG 28 1HH1 ARG 28 88.049 21.447 5.676 207 HH12 ARG 28 2HH1 ARG 28 88.445 19.761 5.640 208 HH21 ARG 28 1HH2 ARG 28 91.885 20.282 5.289 209 HH22 ARG 28 2HH2 ARG 28 90.628 19.099 5.421 210 H ARG 29 H ARG 29 88.412 25.783 9.356 211 HA ARG 29 HA ARG 29 88.254 22.890 9.823 212 HB2 ARG 29 1HB ARG 29 89.484 24.300 11.667 213 HB3 ARG 29 2HB ARG 29 87.849 24.764 12.121 214 HG2 ARG 29 1HG ARG 29 88.025 22.956 13.450 215 HG3 ARG 29 2HG ARG 29 87.527 22.110 11.984 216 HD2 ARG 29 1HD ARG 29 89.991 21.875 11.448 217 HD3 ARG 29 2HD ARG 29 90.305 22.431 13.092 218 HE ARG 29 HE ARG 29 88.484 20.268 13.115 219 HH11 ARG 29 1HH1 ARG 29 91.851 21.007 12.630 220 HH12 ARG 29 2HH1 ARG 29 92.403 19.448 13.147 221 HH21 ARG 29 1HH2 ARG 29 89.198 18.212 13.799 222 HH22 ARG 29 2HH2 ARG 29 90.892 17.858 13.811 223 H ILE 30 H ILE 30 86.199 22.102 10.279 224 HA ILE 30 HA ILE 30 84.030 23.875 9.480 225 HB ILE 30 HB ILE 30 83.837 20.927 10.076 226 HG12 ILE 30 1HG1 ILE 30 85.534 21.206 8.369 227 HG13 ILE 30 2HG1 ILE 30 84.061 20.601 7.619 228 HG21 ILE 30 1HG2 ILE 30 82.094 21.852 8.023 229 HG22 ILE 30 2HG2 ILE 30 81.686 21.177 9.600 230 HG23 ILE 30 3HG2 ILE 30 81.936 22.914 9.422 231 HD11 ILE 30 3HD1 ILE 30 85.141 22.326 6.274 232 HD12 ILE 30 1HD1 ILE 30 83.537 22.825 6.811 233 HD13 ILE 30 2HD1 ILE 30 84.974 23.468 7.607 234 H ARG 31 H ARG 31 85.295 22.347 12.307 235 HA ARG 31 HA ARG 31 82.946 22.349 13.888 236 HB2 ARG 31 1HB ARG 31 85.845 22.485 14.738 237 HB3 ARG 31 2HB ARG 31 84.491 22.128 15.801 238 HG2 ARG 31 1HG ARG 31 84.009 20.171 14.227 239 HG3 ARG 31 2HG ARG 31 85.633 20.454 13.596 240 HD2 ARG 31 1HD ARG 31 86.652 19.798 15.541 241 HD3 ARG 31 2HD ARG 31 85.271 20.246 16.541 242 HE ARG 31 HE ARG 31 84.408 18.142 15.000 243 HH11 ARG 31 1HH1 ARG 31 86.961 18.689 17.302 244 HH12 ARG 31 2HH1 ARG 31 86.996 17.046 17.851 245 HH21 ARG 31 1HH2 ARG 31 84.443 15.976 15.714 246 HH22 ARG 31 2HH2 ARG 31 85.564 15.504 16.947 247 H ARG 32 H ARG 32 85.038 24.844 12.844 248 HA ARG 32 HA ARG 32 84.390 26.658 15.007 249 HB2 ARG 32 1HB ARG 32 86.125 26.742 12.589 250 HB3 ARG 32 2HB ARG 32 85.551 28.275 13.233 251 HG2 ARG 32 1HG ARG 32 86.446 27.460 15.483 252 HG3 ARG 32 2HG ARG 32 87.299 26.229 14.549 253 HD2 ARG 32 1HD ARG 32 88.290 28.068 13.180 254 HD3 ARG 32 2HD ARG 32 87.557 29.221 14.294 255 HE ARG 32 HE ARG 32 89.212 27.245 15.573 256 HH11 ARG 32 1HH1 ARG 32 89.135 30.355 14.012 257 HH12 ARG 32 2HH1 ARG 32 90.580 30.922 14.780 258 HH21 ARG 32 1HH2 ARG 32 91.117 27.980 16.591 259 HH22 ARG 32 2HH2 ARG 32 91.707 29.570 16.246 260 HA PRO 33 HA PRO 33 80.867 28.616 13.276 261 HB2 PRO 33 1HB PRO 33 81.293 31.230 13.876 262 HB3 PRO 33 2HB PRO 33 80.871 30.021 15.094 263 HG2 PRO 33 1HG PRO 33 83.556 31.141 14.389 264 HG3 PRO 33 2HG PRO 33 82.863 30.820 15.989 265 HD2 PRO 33 1HD PRO 33 84.633 29.147 14.805 266 HD3 PRO 33 2HD PRO 33 83.349 28.569 15.886 267 H PHE 34 H PHE 34 80.287 30.759 11.970 268 HA PHE 34 HA PHE 34 82.178 30.906 9.715 269 HB2 PHE 34 1HB PHE 34 79.955 31.572 8.465 270 HB3 PHE 34 2HB PHE 34 80.357 29.880 8.740 271 HD1 PHE 34 HD1 PHE 34 78.795 32.567 10.810 272 HD2 PHE 34 HD2 PHE 34 78.499 28.632 9.215 273 HE1 PHE 34 HE1 PHE 34 76.654 32.256 11.983 274 HE2 PHE 34 HE2 PHE 34 76.358 28.315 10.384 275 HZ PHE 34 HZ PHE 34 75.432 30.128 11.770 276 H THR 35 H THR 35 82.021 32.932 8.433 277 HA THR 35 HA THR 35 81.788 35.218 10.253 278 HB THR 35 HB THR 35 83.007 35.341 7.508 279 HG1 THR 35 HG1 THR 35 84.111 33.671 8.530 280 HG21 THR 35 3HG2 THR 35 84.471 37.007 8.856 281 HG22 THR 35 1HG2 THR 35 83.163 36.942 10.036 282 HG23 THR 35 2HG2 THR 35 82.840 37.486 8.390 283 H VAL 36 H VAL 36 80.712 37.129 9.635 284 HA VAL 36 HA VAL 36 78.216 36.859 8.499 285 HB VAL 36 HB VAL 36 78.801 38.784 9.864 286 HG11 VAL 36 1HG1 VAL 36 80.222 40.550 9.115 287 HG12 VAL 36 2HG1 VAL 36 81.110 39.036 8.933 288 HG13 VAL 36 3HG1 VAL 36 80.391 39.814 7.522 289 HG21 VAL 36 3HG2 VAL 36 77.217 40.036 8.902 290 HG22 VAL 36 1HG2 VAL 36 78.168 40.263 7.435 291 HG23 VAL 36 2HG2 VAL 36 77.190 38.809 7.635 292 H ALA 37 H ALA 37 81.264 37.688 6.945 293 HA ALA 37 HA ALA 37 80.119 38.348 4.416 294 HB1 ALA 37 1HB ALA 37 82.293 38.631 3.651 295 HB2 ALA 37 2HB ALA 37 82.427 38.998 5.371 296 HB3 ALA 37 3HB ALA 37 82.947 37.427 4.762 297 H GLU 38 H GLU 38 81.802 35.469 5.661 298 HA GLU 38 HA GLU 38 81.667 33.937 3.327 299 HB2 GLU 38 1HB GLU 38 81.784 33.152 6.236 300 HB3 GLU 38 2HB GLU 38 81.825 31.968 4.936 301 HG2 GLU 38 1HG GLU 38 83.805 34.200 5.339 302 HG3 GLU 38 2HG GLU 38 84.059 32.505 5.754 303 H VAL 39 H VAL 39 79.405 34.194 6.043 304 HA VAL 39 HA VAL 39 77.587 32.233 5.133 305 HB VAL 39 HB VAL 39 77.078 34.619 6.916 306 HG11 VAL 39 1HG1 VAL 39 75.438 32.136 6.427 307 HG12 VAL 39 2HG1 VAL 39 75.136 33.306 7.713 308 HG13 VAL 39 3HG1 VAL 39 74.996 33.794 6.024 309 HG21 VAL 39 3HG2 VAL 39 78.370 32.034 7.334 310 HG22 VAL 39 1HG2 VAL 39 78.420 33.500 8.314 311 HG23 VAL 39 2HG2 VAL 39 77.077 32.370 8.486 312 H GLU 40 H GLU 40 77.686 35.757 4.731 313 HA GLU 40 HA GLU 40 75.261 36.135 3.445 314 HB2 GLU 40 1HB GLU 40 77.878 37.566 3.417 315 HB3 GLU 40 2HB GLU 40 76.678 38.010 2.211 316 HG2 GLU 40 1HG GLU 40 75.119 38.660 3.867 317 HG3 GLU 40 2HG GLU 40 76.083 37.938 5.153 318 H LEU 41 H LEU 41 78.434 35.463 1.975 319 HA LEU 41 HA LEU 41 77.479 35.351 -0.683 320 HB2 LEU 41 1HB LEU 41 79.906 33.966 0.439 321 HB3 LEU 41 2HB LEU 41 79.614 34.403 -1.243 322 HG LEU 41 HG LEU 41 79.821 36.497 0.897 323 HD11 LEU 41 1HD1 LEU 41 81.881 35.528 1.229 324 HD12 LEU 41 2HD1 LEU 41 82.237 36.674 -0.064 325 HD13 LEU 41 3HD1 LEU 41 82.006 34.966 -0.439 326 HD21 LEU 41 3HD2 LEU 41 78.915 37.230 -1.210 327 HD22 LEU 41 1HD2 LEU 41 80.247 36.478 -2.088 328 HD23 LEU 41 2HD2 LEU 41 80.553 37.861 -1.037 329 H LEU 42 H LEU 42 77.830 32.939 1.847 330 HA LEU 42 HA LEU 42 77.396 30.657 0.238 331 HB2 LEU 42 1HB LEU 42 78.287 30.112 2.275 332 HB3 LEU 42 2HB LEU 42 77.285 31.272 3.145 333 HG LEU 42 HG LEU 42 75.377 29.780 2.993 334 HD11 LEU 42 1HD1 LEU 42 77.141 27.701 1.745 335 HD12 LEU 42 2HD1 LEU 42 76.174 28.804 0.767 336 HD13 LEU 42 3HD1 LEU 42 75.385 27.714 1.906 337 HD21 LEU 42 3HD2 LEU 42 77.557 27.967 3.893 338 HD22 LEU 42 1HD2 LEU 42 76.028 28.374 4.673 339 HD23 LEU 42 2HD2 LEU 42 77.366 29.522 4.704 340 H VAL 43 H VAL 43 75.149 32.153 2.575 341 HA VAL 43 HA VAL 43 72.864 30.794 1.801 342 HB VAL 43 HB VAL 43 73.009 32.197 3.826 343 HG11 VAL 43 1HG1 VAL 43 72.451 34.618 2.167 344 HG12 VAL 43 2HG1 VAL 43 73.075 34.505 3.814 345 HG13 VAL 43 3HG1 VAL 43 74.115 34.107 2.445 346 HG21 VAL 43 3HG2 VAL 43 70.811 31.754 3.576 347 HG22 VAL 43 1HG2 VAL 43 70.713 33.476 3.207 348 HG23 VAL 43 2HG2 VAL 43 70.784 32.296 1.898 349 H GLU 44 H GLU 44 74.216 33.799 0.515 350 HA GLU 44 HA GLU 44 72.070 34.393 -1.228 351 HB2 GLU 44 1HB GLU 44 73.775 36.044 -0.530 352 HB3 GLU 44 2HB GLU 44 74.978 35.180 -1.479 353 HG2 GLU 44 1HG GLU 44 73.538 35.604 -3.494 354 HG3 GLU 44 2HG GLU 44 72.572 36.674 -2.480 355 H ALA 45 H ALA 45 74.920 32.384 -1.528 356 HA ALA 45 HA ALA 45 74.860 32.038 -4.332 357 HB1 ALA 45 1HB ALA 45 76.832 31.191 -3.735 358 HB2 ALA 45 2HB ALA 45 76.299 30.907 -2.078 359 HB3 ALA 45 3HB ALA 45 75.958 29.713 -3.330 360 H VAL 46 H VAL 46 73.566 30.045 -1.681 361 HA VAL 46 HA VAL 46 72.333 28.169 -3.462 362 HB VAL 46 HB VAL 46 72.980 27.358 -1.310 363 HG11 VAL 46 1HG1 VAL 46 73.001 29.327 0.013 364 HG12 VAL 46 2HG1 VAL 46 71.270 29.581 -0.218 365 HG13 VAL 46 3HG1 VAL 46 71.841 28.230 0.761 366 HG21 VAL 46 3HG2 VAL 46 70.023 27.517 -0.961 367 HG22 VAL 46 1HG2 VAL 46 70.678 26.730 -2.397 368 HG23 VAL 46 2HG2 VAL 46 71.104 26.134 -0.793 369 H GLU 47 H GLU 47 71.329 31.067 -1.774 370 HA GLU 47 HA GLU 47 68.531 30.709 -2.166 371 HB2 GLU 47 1HB GLU 47 69.234 32.168 -0.411 372 HB3 GLU 47 2HB GLU 47 70.210 33.128 -1.513 373 HG2 GLU 47 1HG GLU 47 68.164 33.878 -2.644 374 HG3 GLU 47 2HG GLU 47 67.206 32.954 -1.488 375 H HIS 48 H HIS 48 71.021 32.584 -3.865 376 HA HIS 48 HA HIS 48 69.462 33.880 -5.732 377 HB2 HIS 48 1HB HIS 48 71.916 34.191 -5.427 378 HB3 HIS 48 2HB HIS 48 72.181 32.661 -6.257 379 HD1 HIS 48 HD1 HIS 48 71.265 36.223 -6.858 380 HD2 HIS 48 HD2 HIS 48 71.785 32.727 -9.041 381 HE1 HIS 48 HE1 HIS 48 71.331 36.939 -9.268 382 H LEU 49 H LEU 49 70.351 30.519 -5.579 383 HA LEU 49 HA LEU 49 69.144 30.041 -8.213 384 HB2 LEU 49 1HB LEU 49 70.619 28.025 -6.547 385 HB3 LEU 49 2HB LEU 49 70.274 27.972 -8.274 386 HG LEU 49 HG LEU 49 72.057 30.103 -7.162 387 HD11 LEU 49 1HD1 LEU 49 73.766 28.174 -8.110 388 HD12 LEU 49 2HD1 LEU 49 72.587 27.241 -7.190 389 HD13 LEU 49 3HD1 LEU 49 73.473 28.552 -6.412 390 HD21 LEU 49 3HD2 LEU 49 71.477 30.449 -9.417 391 HD22 LEU 49 1HD2 LEU 49 71.679 28.743 -9.816 392 HD23 LEU 49 2HD2 LEU 49 73.090 29.737 -9.454 393 H GLY 50 H GLY 50 68.529 29.799 -4.882 394 HA2 GLY 50 1HA GLY 50 66.500 29.223 -3.889 395 HA3 GLY 50 2HA GLY 50 65.984 28.515 -5.412 396 H THR 51 H THR 51 66.159 26.357 -5.712 397 HA THR 51 HA THR 51 67.727 24.792 -3.795 398 HB THR 51 HB THR 51 65.599 24.676 -2.767 399 HG1 THR 51 HG1 THR 51 65.786 22.579 -2.660 400 HG21 THR 51 3HG2 THR 51 63.726 23.672 -4.464 401 HG22 THR 51 1HG2 THR 51 64.621 24.744 -5.538 402 HG23 THR 51 2HG2 THR 51 63.894 25.381 -4.063 403 H GLY 52 H GLY 52 69.166 24.335 -5.493 404 HA2 GLY 52 1HA GLY 52 68.128 22.334 -7.386 405 HA3 GLY 52 2HA GLY 52 69.106 23.667 -7.984 406 H ARG 53 H ARG 53 71.080 22.991 -8.457 407 HA ARG 53 HA ARG 53 72.239 20.727 -7.063 408 HB2 ARG 53 1HB ARG 53 73.203 22.393 -9.391 409 HB3 ARG 53 2HB ARG 53 74.111 21.049 -8.710 410 HG2 ARG 53 1HG ARG 53 71.310 20.537 -9.533 411 HG3 ARG 53 2HG ARG 53 72.517 20.763 -10.800 412 HD2 ARG 53 1HD ARG 53 73.913 19.045 -9.517 413 HD3 ARG 53 2HD ARG 53 72.427 18.676 -8.643 414 HE ARG 53 HE ARG 53 71.620 17.618 -10.515 415 HH11 ARG 53 1HH1 ARG 53 74.450 19.466 -11.349 416 HH12 ARG 53 2HH1 ARG 53 74.582 18.791 -12.939 417 HH21 ARG 53 1HH2 ARG 53 71.782 16.723 -12.607 418 HH22 ARG 53 2HH2 ARG 53 73.063 17.232 -13.654 419 H TRP 54 H TRP 54 74.095 20.764 -5.823 420 HA TRP 54 HA TRP 54 74.558 23.102 -4.298 421 HB2 TRP 54 1HB TRP 54 76.401 20.717 -4.463 422 HB3 TRP 54 2HB TRP 54 76.189 21.828 -3.113 423 HD1 TRP 54 HD1 TRP 54 72.926 21.703 -3.163 424 HE1 TRP 54 HE1 TRP 54 71.792 19.604 -2.198 425 HE3 TRP 54 HE3 TRP 54 76.856 18.447 -3.461 426 HZ2 TRP 54 HZ2 TRP 54 72.473 16.923 -1.637 427 HZ3 TRP 54 HZ3 TRP 54 76.532 16.134 -2.689 428 HH2 TRP 54 HH2 TRP 54 74.385 15.389 -1.796 429 H ARG 55 H ARG 55 76.417 21.502 -6.860 430 HA ARG 55 HA ARG 55 78.698 23.076 -6.813 431 HB2 ARG 55 1HB ARG 55 79.138 22.312 -9.021 432 HB3 ARG 55 2HB ARG 55 78.291 21.007 -8.201 433 HG2 ARG 55 1HG ARG 55 76.187 21.784 -9.282 434 HG3 ARG 55 2HG ARG 55 77.150 22.939 -10.205 435 HD2 ARG 55 1HD ARG 55 78.538 20.740 -10.757 436 HD3 ARG 55 2HD ARG 55 76.979 19.985 -10.433 437 HE ARG 55 HE ARG 55 76.216 20.814 -12.418 438 HH11 ARG 55 1HH1 ARG 55 79.068 22.580 -11.484 439 HH12 ARG 55 2HH1 ARG 55 79.165 23.466 -12.969 440 HH21 ARG 55 1HH2 ARG 55 76.333 21.975 -14.378 441 HH22 ARG 55 2HH2 ARG 55 77.609 23.121 -14.615 442 H ASP 56 H ASP 56 75.511 23.819 -7.967 443 HA ASP 56 HA ASP 56 76.185 26.013 -9.629 444 HB2 ASP 56 1HB ASP 56 73.954 24.682 -9.434 445 HB3 ASP 56 2HB ASP 56 73.578 25.831 -8.152 446 H VAL 57 H VAL 57 75.314 25.746 -6.212 447 HA VAL 57 HA VAL 57 75.341 28.563 -5.737 448 HB VAL 57 HB VAL 57 74.764 28.096 -3.580 449 HG11 VAL 57 1HG1 VAL 57 74.211 25.347 -4.657 450 HG12 VAL 57 2HG1 VAL 57 73.249 26.302 -3.528 451 HG13 VAL 57 3HG1 VAL 57 73.339 26.770 -5.226 452 HG21 VAL 57 3HG2 VAL 57 76.680 25.800 -3.786 453 HG22 VAL 57 1HG2 VAL 57 76.719 27.188 -2.699 454 HG23 VAL 57 2HG2 VAL 57 75.531 25.908 -2.453 455 H LYS 58 H LYS 58 77.728 26.042 -5.728 456 HA LYS 58 HA LYS 58 79.686 27.404 -4.171 457 HB2 LYS 58 1HB LYS 58 79.818 25.009 -4.400 458 HB3 LYS 58 2HB LYS 58 79.907 25.134 -6.152 459 HG2 LYS 58 1HG LYS 58 82.003 26.536 -4.609 460 HG3 LYS 58 2HG LYS 58 82.048 24.771 -4.608 461 HD2 LYS 58 1HD LYS 58 81.687 25.137 -7.211 462 HD3 LYS 58 2HD LYS 58 82.447 26.688 -6.845 463 HE2 LYS 58 1HE LYS 58 84.420 25.675 -6.103 464 HE3 LYS 58 2HE LYS 58 83.646 24.103 -5.909 465 HZ1 LYS 58 3HZ LYS 58 84.799 23.814 -7.850 466 HZ2 LYS 58 1HZ LYS 58 84.596 25.415 -8.359 467 HZ3 LYS 58 2HZ LYS 58 83.307 24.325 -8.462 468 H PHE 59 H PHE 59 79.182 27.009 -7.665 469 HA PHE 59 HA PHE 59 81.428 28.618 -8.382 470 HB2 PHE 59 1HB PHE 59 80.650 26.953 -9.940 471 HB3 PHE 59 2HB PHE 59 79.040 27.665 -9.970 472 HD1 PHE 59 HD2 PHE 59 82.532 28.088 -11.036 473 HD2 PHE 59 HD1 PHE 59 78.547 29.553 -11.334 474 HE1 PHE 59 HE2 PHE 59 83.190 29.479 -12.956 475 HE2 PHE 59 HE1 PHE 59 79.198 30.946 -13.255 476 HZ PHE 59 HZ PHE 59 81.523 30.911 -14.067 477 H ARG 60 H ARG 60 77.996 29.198 -7.916 478 HA ARG 60 HA ARG 60 77.978 31.827 -9.006 479 HB2 ARG 60 1HB ARG 60 75.936 30.477 -8.788 480 HB3 ARG 60 2HB ARG 60 76.081 30.537 -7.037 481 HG2 ARG 60 1HG ARG 60 74.489 32.155 -7.521 482 HG3 ARG 60 2HG ARG 60 75.975 33.082 -7.309 483 HD2 ARG 60 1HD ARG 60 75.328 32.131 -10.043 484 HD3 ARG 60 2HD ARG 60 74.346 33.439 -9.385 485 HE ARG 60 HE ARG 60 77.090 33.998 -9.010 486 HH11 ARG 60 1HH1 ARG 60 74.645 33.866 -11.485 487 HH12 ARG 60 2HH1 ARG 60 75.411 35.052 -12.488 488 HH21 ARG 60 1HH2 ARG 60 78.108 35.562 -10.322 489 HH22 ARG 60 2HH2 ARG 60 77.381 36.016 -11.826 490 H ALA 61 H ALA 61 78.668 30.487 -5.856 491 HA ALA 61 HA ALA 61 78.462 32.863 -4.346 492 HB1 ALA 61 1HB ALA 61 79.481 30.157 -3.939 493 HB2 ALA 61 2HB ALA 61 80.351 31.389 -3.024 494 HB3 ALA 61 3HB ALA 61 78.606 31.219 -2.836 495 H PHE 62 H PHE 62 81.474 31.167 -5.227 496 HA PHE 62 HA PHE 62 82.723 33.430 -6.362 497 HB2 PHE 62 1HB PHE 62 82.880 33.158 -3.451 498 HB3 PHE 62 2HB PHE 62 84.458 33.265 -4.225 499 HD1 PHE 62 HD2 PHE 62 84.269 35.122 -6.307 500 HD2 PHE 62 HD1 PHE 62 82.204 35.161 -2.585 501 HE1 PHE 62 HE2 PHE 62 84.021 37.564 -6.474 502 HE2 PHE 62 HE1 PHE 62 81.951 37.603 -2.747 503 HZ PHE 62 HZ PHE 62 82.862 38.808 -4.693 504 H GLU 63 H GLU 63 83.518 32.088 -7.910 505 HA GLU 63 HA GLU 63 84.667 29.561 -7.448 506 HB2 GLU 63 1HB GLU 63 83.852 30.152 -9.642 507 HB3 GLU 63 2HB GLU 63 84.990 31.487 -9.753 508 HG2 GLU 63 1HG GLU 63 86.849 29.930 -9.801 509 HG3 GLU 63 2HG GLU 63 85.737 28.574 -9.622 510 H ASN 64 H ASN 64 85.869 32.696 -6.919 511 HA ASN 64 HA ASN 64 88.630 32.263 -7.344 512 HB2 ASN 64 1HB ASN 64 88.966 34.352 -6.375 513 HB3 ASN 64 2HB ASN 64 87.312 34.482 -6.967 514 HD21 ASN 64 2HD2 ASN 64 89.331 34.097 -4.156 515 HD22 ASN 64 1HD2 ASN 64 88.128 34.520 -2.990 516 H VAL 65 H VAL 65 86.480 31.561 -4.686 517 HA VAL 65 HA VAL 65 88.761 30.620 -3.081 518 HB VAL 65 HB VAL 65 87.364 32.252 -1.927 519 HG11 VAL 65 1HG1 VAL 65 85.104 30.284 -2.261 520 HG12 VAL 65 2HG1 VAL 65 85.040 31.833 -1.417 521 HG13 VAL 65 3HG1 VAL 65 85.277 31.788 -3.165 522 HG21 VAL 65 3HG2 VAL 65 86.528 29.837 -0.483 523 HG22 VAL 65 1HG2 VAL 65 88.235 29.884 -0.924 524 HG23 VAL 65 2HG2 VAL 65 87.539 31.183 0.044 525 H HIS 66 H HIS 66 89.021 28.508 -2.707 526 HA HIS 66 HA HIS 66 86.780 26.695 -3.313 527 HB2 HIS 66 1HB HIS 66 89.654 26.530 -4.169 528 HB3 HIS 66 2HB HIS 66 88.691 25.066 -3.998 529 HD1 HIS 66 HD1 HIS 66 87.324 24.420 -5.970 530 HD2 HIS 66 HD2 HIS 66 88.473 28.410 -6.103 531 HE1 HIS 66 HE1 HIS 66 86.564 25.264 -8.214 532 H HIS 67 H HIS 67 87.813 27.847 -0.775 533 HA HIS 67 HA HIS 67 89.151 25.743 0.629 534 HB2 HIS 67 1HB HIS 67 88.007 28.397 1.318 535 HB3 HIS 67 2HB HIS 67 88.172 27.235 2.631 536 HD1 HIS 67 HD1 HIS 67 89.913 29.955 1.459 537 HD2 HIS 67 HD2 HIS 67 91.069 26.036 2.208 538 HE1 HIS 67 HE1 HIS 67 92.407 30.038 1.769 539 H ARG 68 H ARG 68 85.871 26.488 -0.115 540 HA ARG 68 HA ARG 68 84.974 24.362 1.720 541 HB2 ARG 68 1HB ARG 68 83.393 26.729 0.698 542 HB3 ARG 68 2HB ARG 68 82.778 25.466 1.757 543 HG2 ARG 68 1HG ARG 68 85.188 26.929 2.657 544 HG3 ARG 68 2HG ARG 68 83.655 27.802 2.664 545 HD2 ARG 68 1HD ARG 68 82.829 25.560 3.822 546 HD3 ARG 68 2HD ARG 68 84.529 25.470 4.279 547 HE ARG 68 HE ARG 68 83.563 28.041 4.856 548 HH11 ARG 68 1HH1 ARG 68 83.221 24.747 5.930 549 HH12 ARG 68 2HH1 ARG 68 82.833 25.182 7.562 550 HH21 ARG 68 1HH2 ARG 68 83.053 28.626 7.001 551 HH22 ARG 68 2HH2 ARG 68 82.737 27.389 8.170 552 H THR 69 H THR 69 83.365 22.923 0.967 553 HA THR 69 HA THR 69 83.442 22.548 -1.932 554 HB THR 69 HB THR 69 82.240 20.609 0.030 555 HG1 THR 69 HG1 THR 69 84.198 19.915 0.575 556 HG21 THR 69 3HG2 THR 69 83.535 20.311 -2.681 557 HG22 THR 69 1HG2 THR 69 81.819 20.150 -2.310 558 HG23 THR 69 2HG2 THR 69 82.971 18.972 -1.682 559 H TYR 70 H TYR 70 81.576 22.227 -3.177 560 HA TYR 70 HA TYR 70 79.454 23.920 -2.776 561 HB2 TYR 70 1HB TYR 70 78.208 22.341 -4.385 562 HB3 TYR 70 2HB TYR 70 79.704 23.075 -4.951 563 HD1 TYR 70 HD1 TYR 70 78.131 19.955 -3.808 564 HD2 TYR 70 HD2 TYR 70 81.659 21.738 -5.384 565 HE1 TYR 70 HE1 TYR 70 79.027 17.721 -4.317 566 HE2 TYR 70 HE2 TYR 70 82.563 19.509 -5.897 567 HH TYR 70 HH TYR 70 81.897 16.932 -4.691 568 H VAL 71 H VAL 71 79.685 20.498 -1.891 569 HA VAL 71 HA VAL 71 77.055 20.178 -0.962 570 HB VAL 71 HB VAL 71 78.461 18.251 -1.381 571 HG11 VAL 71 1HG1 VAL 71 80.358 17.679 -0.020 572 HG12 VAL 71 2HG1 VAL 71 80.590 19.309 -0.655 573 HG13 VAL 71 3HG1 VAL 71 80.087 19.077 1.020 574 HG21 VAL 71 3HG2 VAL 71 76.896 18.645 0.944 575 HG22 VAL 71 1HG2 VAL 71 77.206 17.141 0.075 576 HG23 VAL 71 2HG2 VAL 71 78.269 17.634 1.394 577 H ASP 72 H ASP 72 79.995 21.275 0.653 578 HA ASP 72 HA ASP 72 78.964 21.332 3.275 579 HB2 ASP 72 1HB ASP 72 81.377 21.447 2.743 580 HB3 ASP 72 2HB ASP 72 81.140 23.060 2.077 581 H LEU 73 H LEU 73 78.874 23.647 0.637 582 HA LEU 73 HA LEU 73 77.967 25.871 2.118 583 HB2 LEU 73 1HB LEU 73 77.571 25.172 -0.787 584 HB3 LEU 73 2HB LEU 73 77.213 26.743 -0.072 585 HG LEU 73 HG LEU 73 79.908 25.462 -0.475 586 HD11 LEU 73 1HD1 LEU 73 80.344 27.500 -1.756 587 HD12 LEU 73 2HD1 LEU 73 78.699 28.050 -1.440 588 HD13 LEU 73 3HD1 LEU 73 78.973 26.602 -2.409 589 HD21 LEU 73 3HD2 LEU 73 79.982 26.428 1.710 590 HD22 LEU 73 1HD2 LEU 73 79.170 27.890 1.149 591 HD23 LEU 73 2HD2 LEU 73 80.807 27.527 0.603 592 H LYS 74 H LYS 74 76.153 23.607 0.042 593 HA LYS 74 HA LYS 74 73.603 24.576 0.629 594 HB2 LYS 74 1HB LYS 74 74.292 22.922 -1.186 595 HB3 LYS 74 2HB LYS 74 74.226 21.681 0.059 596 HG2 LYS 74 1HG LYS 74 71.818 23.273 0.041 597 HG3 LYS 74 2HG LYS 74 72.137 22.561 -1.542 598 HD2 LYS 74 1HD LYS 74 71.022 20.813 -0.615 599 HD3 LYS 74 2HD LYS 74 72.637 20.426 -0.018 600 HE2 LYS 74 1HE LYS 74 72.169 21.281 2.118 601 HE3 LYS 74 2HE LYS 74 70.741 22.145 1.552 602 HZ1 LYS 74 3HZ LYS 74 69.573 20.402 2.226 603 HZ2 LYS 74 1HZ LYS 74 70.962 19.481 2.517 604 HZ3 LYS 74 2HZ LYS 74 70.269 19.501 0.975 605 H ASP 75 H ASP 75 75.543 22.102 2.245 606 HA ASP 75 HA ASP 75 73.535 21.316 4.090 607 HB2 ASP 75 1HB ASP 75 75.672 20.052 3.440 608 HB3 ASP 75 2HB ASP 75 76.500 21.105 4.583 609 H LYS 76 H LYS 76 76.114 23.717 4.173 610 HA LYS 76 HA LYS 76 75.902 24.394 6.899 611 HB2 LYS 76 1HB LYS 76 77.796 25.012 5.383 612 HB3 LYS 76 2HB LYS 76 76.745 26.204 4.630 613 HG2 LYS 76 1HG LYS 76 77.885 27.502 6.129 614 HG3 LYS 76 2HG LYS 76 76.460 27.071 7.077 615 HD2 LYS 76 1HD LYS 76 78.388 25.025 7.442 616 HD3 LYS 76 2HD LYS 76 79.206 26.575 7.654 617 HE2 LYS 76 1HE LYS 76 78.409 26.509 9.743 618 HE3 LYS 76 2HE LYS 76 76.862 26.952 9.022 619 HZ1 LYS 76 3HZ LYS 76 77.361 24.715 10.495 620 HZ2 LYS 76 1HZ LYS 76 77.358 24.137 8.905 621 HZ3 LYS 76 2HZ LYS 76 76.013 24.969 9.504 622 H TRP 77 H TRP 77 74.275 25.625 4.016 623 HA TRP 77 HA TRP 77 72.928 27.759 5.292 624 HB2 TRP 77 1HB TRP 77 73.087 27.855 2.929 625 HB3 TRP 77 2HB TRP 77 72.414 26.238 2.741 626 HD1 TRP 77 HD1 TRP 77 71.375 29.863 3.351 627 HE1 TRP 77 HE1 TRP 77 68.838 30.071 2.970 628 HE3 TRP 77 HE3 TRP 77 70.225 24.909 2.831 629 HZ2 TRP 77 HZ2 TRP 77 66.640 28.360 2.510 630 HZ3 TRP 77 HZ3 TRP 77 67.881 24.279 2.423 631 HH2 TRP 77 HH2 TRP 77 66.127 25.970 2.267 632 H LYS 78 H LYS 78 71.853 24.481 4.412 633 HA LYS 78 HA LYS 78 69.257 24.633 5.392 634 HB2 LYS 78 1HB LYS 78 69.926 22.761 4.049 635 HB3 LYS 78 2HB LYS 78 71.154 22.290 5.217 636 HG2 LYS 78 1HG LYS 78 69.196 20.833 5.306 637 HG3 LYS 78 2HG LYS 78 69.438 21.700 6.825 638 HD2 LYS 78 1HD LYS 78 67.692 23.257 6.278 639 HD3 LYS 78 2HD LYS 78 67.530 22.574 4.658 640 HE2 LYS 78 1HE LYS 78 65.754 21.643 5.864 641 HE3 LYS 78 2HE LYS 78 66.978 20.375 5.838 642 HZ1 LYS 78 3HZ LYS 78 66.884 22.260 8.094 643 HZ2 LYS 78 1HZ LYS 78 67.461 20.670 8.051 644 HZ3 LYS 78 2HZ LYS 78 65.795 20.966 8.043 645 H THR 79 H THR 79 72.259 23.807 7.069 646 HA THR 79 HA THR 79 71.041 23.136 9.543 647 HB THR 79 HB THR 79 73.856 24.172 9.213 648 HG1 THR 79 HG1 THR 79 74.233 22.454 8.051 649 HG21 THR 79 3HG2 THR 79 74.331 22.749 11.119 650 HG22 THR 79 1HG2 THR 79 72.670 22.160 11.128 651 HG23 THR 79 2HG2 THR 79 73.010 23.847 11.515 652 H LEU 80 H LEU 80 72.724 26.080 8.444 653 HA LEU 80 HA LEU 80 72.363 27.577 10.776 654 HB2 LEU 80 1HB LEU 80 73.379 29.217 9.642 655 HB3 LEU 80 2HB LEU 80 73.627 27.975 8.416 656 HG LEU 80 HG LEU 80 71.343 28.847 7.488 657 HD11 LEU 80 1HD1 LEU 80 71.736 31.519 7.990 658 HD12 LEU 80 2HD1 LEU 80 71.990 30.777 9.569 659 HD13 LEU 80 3HD1 LEU 80 70.479 30.506 8.701 660 HD21 LEU 80 3HD2 LEU 80 72.546 29.866 5.867 661 HD22 LEU 80 1HD2 LEU 80 73.897 29.124 6.725 662 HD23 LEU 80 2HD2 LEU 80 73.493 30.817 7.013 663 H VAL 81 H VAL 81 70.220 26.947 8.089 664 HA VAL 81 HA VAL 81 68.329 28.991 8.657 665 HB VAL 81 HB VAL 81 68.133 26.428 7.087 666 HG11 VAL 81 1HG1 VAL 81 66.010 28.505 7.584 667 HG12 VAL 81 2HG1 VAL 81 65.953 27.351 6.250 668 HG13 VAL 81 3HG1 VAL 81 65.930 26.775 7.917 669 HG21 VAL 81 3HG2 VAL 81 68.923 27.651 5.409 670 HG22 VAL 81 1HG2 VAL 81 67.625 28.827 5.619 671 HG23 VAL 81 2HG2 VAL 81 69.130 29.004 6.521 672 H HIS 82 H HIS 82 68.464 25.530 9.452 673 HA HIS 82 HA HIS 82 66.011 25.393 10.809 674 HB2 HIS 82 1HB HIS 82 67.683 23.516 10.029 675 HB3 HIS 82 2HB HIS 82 68.327 23.697 11.658 676 HD1 HIS 82 HD1 HIS 82 64.734 23.557 10.396 677 HD2 HIS 82 HD2 HIS 82 67.268 21.674 13.097 678 HE1 HIS 82 HE1 HIS 82 63.308 21.863 11.588 679 H THR 83 H THR 83 69.260 26.207 11.914 680 HA THR 83 HA THR 83 68.568 26.332 14.682 681 HB THR 83 HB THR 83 70.917 27.670 13.331 682 HG1 THR 83 HG1 THR 83 71.033 25.136 14.571 683 HG21 THR 83 3HG2 THR 83 70.445 26.744 16.166 684 HG22 THR 83 1HG2 THR 83 70.564 28.413 15.612 685 HG23 THR 83 2HG2 THR 83 71.977 27.359 15.547 686 H ALA 84 H ALA 84 68.529 28.587 12.020 687 HA ALA 84 HA ALA 84 68.138 30.892 13.729 688 HB1 ALA 84 1HB ALA 84 67.797 30.796 10.743 689 HB2 ALA 84 2HB ALA 84 68.162 32.192 11.758 690 HB3 ALA 84 3HB ALA 84 69.374 30.933 11.522 691 H SER 85 H SER 85 66.204 28.420 12.605 692 HA SER 85 HA SER 85 63.791 30.094 12.534 693 HB2 SER 85 1HB SER 85 63.340 28.810 10.742 694 HB3 SER 85 2HB SER 85 64.615 27.662 11.152 695 HG SER 85 HG SER 85 63.216 26.480 12.285 696 H ILE 86 H ILE 86 65.309 27.399 14.189 697 HA ILE 86 HA ILE 86 63.185 26.474 15.718 698 HB ILE 86 HB ILE 86 64.930 25.819 17.410 699 HG12 ILE 86 1HG1 ILE 86 66.844 26.995 15.385 700 HG13 ILE 86 2HG1 ILE 86 66.440 27.757 16.920 701 HG21 ILE 86 1HG2 ILE 86 65.040 23.982 16.174 702 HG22 ILE 86 2HG2 ILE 86 64.495 24.900 14.772 703 HG23 ILE 86 3HG2 ILE 86 66.219 24.750 15.110 704 HD11 ILE 86 3HD1 ILE 86 67.205 25.428 17.880 705 HD12 ILE 86 1HD1 ILE 86 68.103 25.367 16.364 706 HD13 ILE 86 2HD1 ILE 86 68.366 26.697 17.492 707 H ALA 87 H ALA 87 63.331 26.708 18.273 708 HA ALA 87 HA ALA 87 62.227 29.135 18.969 709 HB1 ALA 87 1HB ALA 87 63.165 28.398 21.353 710 HB2 ALA 87 2HB ALA 87 61.799 27.594 20.578 711 HB3 ALA 87 3HB ALA 87 63.410 26.883 20.483 712 HA PRO 88 HA PRO 88 65.443 32.074 19.487 713 HB2 PRO 88 1HB PRO 88 64.657 33.410 21.716 714 HB3 PRO 88 2HB PRO 88 63.835 33.571 20.160 715 HG2 PRO 88 1HG PRO 88 63.089 31.905 22.532 716 HG3 PRO 88 2HG PRO 88 62.052 32.899 21.493 717 HD2 PRO 88 1HD PRO 88 62.234 30.210 21.226 718 HD3 PRO 88 2HD PRO 88 61.946 31.289 19.846 719 H GLN 89 H GLN 89 64.691 30.012 22.218 720 HA GLN 89 HA GLN 89 67.099 30.681 23.656 721 HB2 GLN 89 1HB GLN 89 66.384 29.065 25.279 722 HB3 GLN 89 2HB GLN 89 64.978 29.999 24.785 723 HG2 GLN 89 1HG GLN 89 64.478 28.114 23.165 724 HG3 GLN 89 2HG GLN 89 65.695 27.184 24.039 725 HE21 GLN 89 2HE2 GLN 89 62.805 26.765 23.753 726 HE22 GLN 89 1HE2 GLN 89 62.179 26.702 25.362 727 H GLN 90 H GLN 90 66.153 28.426 21.234 728 HA GLN 90 HA GLN 90 68.452 26.698 21.721 729 HB2 GLN 90 1HB GLN 90 66.264 26.515 19.643 730 HB3 GLN 90 2HB GLN 90 67.523 25.315 19.905 731 HG2 GLN 90 1HG GLN 90 65.559 26.125 22.029 732 HG3 GLN 90 2HG GLN 90 65.279 24.797 20.904 733 HE21 GLN 90 2HE2 GLN 90 65.213 24.130 23.443 734 HE22 GLN 90 1HE2 GLN 90 66.645 23.299 23.935 735 H ARG 91 H ARG 91 67.264 29.056 19.404 736 HA ARG 91 HA ARG 91 69.137 28.658 17.366 737 HB2 ARG 91 1HB ARG 91 68.479 30.765 16.518 738 HB3 ARG 91 2HB ARG 91 67.052 30.109 17.310 739 HG2 ARG 91 1HG ARG 91 66.951 32.180 18.184 740 HG3 ARG 91 2HG ARG 91 68.083 31.496 19.353 741 HD2 ARG 91 1HD ARG 91 69.885 32.599 18.457 742 HD3 ARG 91 2HD ARG 91 69.163 32.696 16.852 743 HE ARG 91 HE ARG 91 67.672 34.263 18.654 744 HH11 ARG 91 1HH1 ARG 91 70.743 34.210 17.016 745 HH12 ARG 91 2HH1 ARG 91 70.906 35.935 16.989 746 HH21 ARG 91 1HH2 ARG 91 67.874 36.535 18.624 747 HH22 ARG 91 2HH2 ARG 91 69.273 37.256 17.904 748 H ARG 92 H ARG 92 69.446 30.135 20.475 749 HA ARG 92 HA ARG 92 71.557 31.878 20.141 750 HB2 ARG 92 1HB ARG 92 71.196 29.991 22.474 751 HB3 ARG 92 2HB ARG 92 72.078 31.512 22.481 752 HG2 ARG 92 1HG ARG 92 69.741 32.471 21.725 753 HG3 ARG 92 2HG ARG 92 69.154 31.011 22.523 754 HD2 ARG 92 1HD ARG 92 69.156 32.736 24.154 755 HD3 ARG 92 2HD ARG 92 70.520 31.681 24.523 756 HE ARG 92 HE ARG 92 71.645 33.594 22.994 757 HH11 ARG 92 1HH1 ARG 92 69.590 33.714 25.801 758 HH12 ARG 92 2HH1 ARG 92 70.253 35.204 26.384 759 HH21 ARG 92 1HH2 ARG 92 72.527 35.557 23.752 760 HH22 ARG 92 2HH2 ARG 92 71.923 36.252 25.217 761 H GLY 93 H GLY 93 73.288 31.424 18.911 762 HA2 GLY 93 1HA GLY 93 74.874 29.052 19.659 763 HA3 GLY 93 2HA GLY 93 74.573 29.431 17.969 764 H ALA 94 H ALA 94 75.478 31.387 17.095 765 HA ALA 94 HA ALA 94 77.829 32.326 18.607 766 HB1 ALA 94 1HB ALA 94 78.881 31.228 16.915 767 HB2 ALA 94 2HB ALA 94 77.543 31.451 15.787 768 HB3 ALA 94 3HB ALA 94 78.644 32.787 16.125 769 HA PRO 95 HA PRO 95 76.498 36.479 18.124 770 HB2 PRO 95 1HB PRO 95 78.830 37.789 17.659 771 HB3 PRO 95 2HB PRO 95 78.404 37.119 19.238 772 HG2 PRO 95 1HG PRO 95 80.183 35.983 17.115 773 HG3 PRO 95 2HG PRO 95 80.428 36.036 18.870 774 HD2 PRO 95 1HD PRO 95 79.565 33.814 17.586 775 HD3 PRO 95 2HD PRO 95 79.066 34.214 19.242 776 H VAL 96 H VAL 96 75.326 36.020 16.123 777 HA VAL 96 HA VAL 96 76.666 37.179 13.765 778 HB VAL 96 HB VAL 96 74.954 35.825 12.433 779 HG11 VAL 96 1HG1 VAL 96 76.702 34.536 11.962 780 HG12 VAL 96 2HG1 VAL 96 77.523 35.228 13.362 781 HG13 VAL 96 3HG1 VAL 96 76.599 33.735 13.530 782 HG21 VAL 96 3HG2 VAL 96 74.895 34.038 14.838 783 HG22 VAL 96 1HG2 VAL 96 73.676 35.290 14.606 784 HG23 VAL 96 2HG2 VAL 96 73.865 34.011 13.407 785 HA PRO 97 HA PRO 97 73.518 40.231 13.552 786 HB2 PRO 97 1HB PRO 97 73.276 40.570 10.870 787 HB3 PRO 97 2HB PRO 97 74.676 41.138 11.787 788 HG2 PRO 97 1HG PRO 97 74.370 38.656 10.142 789 HG3 PRO 97 2HG PRO 97 75.738 39.781 10.226 790 HD2 PRO 97 1HD PRO 97 75.715 37.415 11.543 791 HD3 PRO 97 2HD PRO 97 76.546 38.851 12.174 792 H GLN 98 H GLN 98 71.328 40.409 13.453 793 HA GLN 98 HA GLN 98 69.760 38.097 13.138 794 HB2 GLN 98 1HB GLN 98 67.875 39.480 13.572 795 HB3 GLN 98 2HB GLN 98 69.200 40.125 14.531 796 HG2 GLN 98 1HG GLN 98 69.562 41.874 12.876 797 HG3 GLN 98 2HG GLN 98 68.252 41.221 11.893 798 HE21 GLN 98 2HE2 GLN 98 68.395 43.858 12.901 799 HE22 GLN 98 1HE2 GLN 98 67.072 44.082 13.988 800 H GLU 99 H GLU 99 70.627 40.666 10.932 801 HA GLU 99 HA GLU 99 68.696 40.339 8.962 802 HB2 GLU 99 1HB GLU 99 70.226 41.404 7.453 803 HB3 GLU 99 2HB GLU 99 70.426 42.140 9.037 804 HG2 GLU 99 1HG GLU 99 72.296 40.208 9.170 805 HG3 GLU 99 2HG GLU 99 72.306 40.542 7.440 806 H LEU 100 H LEU 100 71.582 38.458 9.633 807 HA LEU 100 HA LEU 100 71.675 36.978 7.246 808 HB2 LEU 100 1HB LEU 100 72.865 36.839 9.905 809 HB3 LEU 100 2HB LEU 100 72.615 35.255 9.175 810 HG LEU 100 HG LEU 100 74.018 35.816 7.319 811 HD11 LEU 100 1HD1 LEU 100 73.578 38.556 8.277 812 HD12 LEU 100 2HD1 LEU 100 73.857 37.951 6.644 813 HD13 LEU 100 3HD1 LEU 100 75.219 38.204 7.735 814 HD21 LEU 100 3HD2 LEU 100 74.905 35.669 9.965 815 HD22 LEU 100 1HD2 LEU 100 75.846 36.963 9.222 816 HD23 LEU 100 2HD2 LEU 100 75.840 35.353 8.502 817 H LEU 101 H LEU 101 69.972 36.419 10.293 818 HA LEU 101 HA LEU 101 68.932 33.874 9.503 819 HB2 LEU 101 1HB LEU 101 68.023 35.740 11.689 820 HB3 LEU 101 2HB LEU 101 67.545 34.054 11.508 821 HG LEU 101 HG LEU 101 69.157 33.703 13.034 822 HD11 LEU 101 1HD1 LEU 101 71.176 32.991 12.097 823 HD12 LEU 101 2HD1 LEU 101 71.126 34.215 10.830 824 HD13 LEU 101 3HD1 LEU 101 70.011 32.851 10.781 825 HD21 LEU 101 3HD2 LEU 101 70.934 35.230 13.576 826 HD22 LEU 101 1HD2 LEU 101 69.437 36.143 13.385 827 HD23 LEU 101 2HD2 LEU 101 70.646 36.154 12.100 828 H ASP 102 H ASP 102 67.948 37.173 9.123 829 HA ASP 102 HA ASP 102 65.197 36.619 8.549 830 HB2 ASP 102 1HB ASP 102 66.170 38.834 9.367 831 HB3 ASP 102 2HB ASP 102 66.720 39.084 7.712 832 H ARG 103 H ARG 103 68.132 37.035 6.653 833 HA ARG 103 HA ARG 103 66.802 37.023 4.122 834 HB2 ARG 103 1HB ARG 103 69.082 36.754 3.192 835 HB3 ARG 103 2HB ARG 103 68.965 38.088 4.332 836 HG2 ARG 103 1HG ARG 103 69.991 36.727 6.063 837 HG3 ARG 103 2HG ARG 103 70.066 35.356 4.955 838 HD2 ARG 103 1HD ARG 103 72.217 36.296 4.905 839 HD3 ARG 103 2HD ARG 103 71.434 36.867 3.432 840 HE ARG 103 HE ARG 103 72.155 38.458 5.760 841 HH11 ARG 103 1HH1 ARG 103 70.530 38.270 2.687 842 HH12 ARG 103 2HH1 ARG 103 70.480 39.987 2.461 843 HH21 ARG 103 1HH2 ARG 103 72.095 40.720 5.475 844 HH22 ARG 103 2HH2 ARG 103 71.371 41.380 4.047 845 H VAL 104 H VAL 104 68.472 34.601 6.083 846 HA VAL 104 HA VAL 104 68.300 32.510 4.169 847 HB VAL 104 HB VAL 104 68.920 31.009 5.970 848 HG11 VAL 104 1HG1 VAL 104 70.350 33.410 5.299 849 HG12 VAL 104 2HG1 VAL 104 70.743 32.897 6.941 850 HG13 VAL 104 3HG1 VAL 104 70.967 31.784 5.591 851 HG21 VAL 104 3HG2 VAL 104 69.236 32.017 8.285 852 HG22 VAL 104 1HG2 VAL 104 68.202 33.335 7.732 853 HG23 VAL 104 2HG2 VAL 104 67.577 31.686 7.783 854 H LEU 105 H LEU 105 66.261 33.528 6.864 855 HA LEU 105 HA LEU 105 64.479 31.308 6.699 856 HB2 LEU 105 1HB LEU 105 64.343 33.996 8.027 857 HB3 LEU 105 2HB LEU 105 62.974 32.886 8.047 858 HG LEU 105 HG LEU 105 65.706 32.245 9.155 859 HD11 LEU 105 1HD1 LEU 105 65.094 33.010 11.186 860 HD12 LEU 105 2HD1 LEU 105 63.393 32.615 10.946 861 HD13 LEU 105 3HD1 LEU 105 64.067 34.079 10.231 862 HD21 LEU 105 3HD2 LEU 105 63.356 30.777 10.086 863 HD22 LEU 105 1HD2 LEU 105 64.946 30.188 9.601 864 HD23 LEU 105 2HD2 LEU 105 63.723 30.532 8.378 865 H ALA 106 H ALA 106 64.214 34.712 5.681 866 HA ALA 106 HA ALA 106 61.693 34.583 4.518 867 HB1 ALA 106 1HB ALA 106 62.476 36.523 3.127 868 HB2 ALA 106 2HB ALA 106 62.695 36.708 4.867 869 HB3 ALA 106 3HB ALA 106 64.072 36.299 3.844 870 H ALA 107 H ALA 107 64.871 33.946 3.074 871 HA ALA 107 HA ALA 107 63.918 33.455 0.456 872 HB1 ALA 107 1HB ALA 107 66.129 32.381 0.102 873 HB2 ALA 107 2HB ALA 107 66.231 33.995 0.806 874 HB3 ALA 107 3HB ALA 107 66.454 32.574 1.825 875 H GLN 108 H GLN 108 64.597 31.325 3.204 876 HA GLN 108 HA GLN 108 64.276 28.863 1.978 877 HB2 GLN 108 1HB GLN 108 65.042 29.214 4.315 878 HB3 GLN 108 2HB GLN 108 63.389 29.603 4.771 879 HG2 GLN 108 1HG GLN 108 64.073 26.989 3.482 880 HG3 GLN 108 2HG GLN 108 64.254 27.237 5.218 881 HE21 GLN 108 2HE2 GLN 108 62.500 25.400 3.884 882 HE22 GLN 108 1HE2 GLN 108 60.887 25.825 4.332 883 H ALA 109 H ALA 109 61.784 30.842 3.576 884 HA ALA 109 HA ALA 109 59.639 29.107 2.912 885 HB1 ALA 109 1HB ALA 109 59.263 32.029 3.437 886 HB2 ALA 109 2HB ALA 109 58.240 30.669 3.901 887 HB3 ALA 109 3HB ALA 109 59.773 30.942 4.729 888 H TYR 110 H TYR 110 61.099 31.884 1.332 889 HA TYR 110 HA TYR 110 59.133 32.464 -0.549 890 HB2 TYR 110 1HB TYR 110 61.347 33.692 -0.039 891 HB3 TYR 110 2HB TYR 110 62.067 32.588 -1.204 892 HD1 TYR 110 HD1 TYR 110 58.893 34.571 -1.088 893 HD2 TYR 110 HD2 TYR 110 62.439 33.606 -3.233 894 HE1 TYR 110 HE1 TYR 110 58.180 36.049 -2.920 895 HE2 TYR 110 HE2 TYR 110 61.736 35.082 -5.070 896 HH TYR 110 HH TYR 110 58.830 37.072 -4.820 897 H TRP 111 H TRP 111 61.757 30.092 -0.669 898 HA TRP 111 HA TRP 111 60.915 29.165 -3.289 899 HB2 TRP 111 1HB TRP 111 63.048 28.003 -1.489 900 HB3 TRP 111 2HB TRP 111 62.841 27.719 -3.215 901 HD1 TRP 111 HD1 TRP 111 65.192 29.371 -1.216 902 HE1 TRP 111 HE1 TRP 111 66.196 31.466 -2.323 903 HE3 TRP 111 HE3 TRP 111 61.688 30.120 -4.863 904 HZ2 TRP 111 HZ2 TRP 111 65.584 33.207 -4.458 905 HZ3 TRP 111 HZ3 TRP 111 61.971 32.024 -6.396 906 HH2 TRP 111 HH2 TRP 111 63.879 33.534 -6.196 907 H SER 112 H SER 112 60.315 28.441 -0.004 908 HA SER 112 HA SER 112 59.802 25.693 -0.105 909 HB2 SER 112 1HB SER 112 59.903 27.229 1.948 910 HB3 SER 112 2HB SER 112 58.221 27.621 1.593 911 HG SER 112 HG SER 112 59.132 25.545 2.920 912 H VAL 113 H VAL 113 57.322 25.062 0.550 913 HA VAL 113 HA VAL 113 55.472 26.251 -1.370 914 HB VAL 113 HB VAL 113 55.852 23.265 -1.337 915 HG11 VAL 113 1HG1 VAL 113 54.778 24.711 -3.675 916 HG12 VAL 113 2HG1 VAL 113 54.273 23.182 -2.953 917 HG13 VAL 113 3HG1 VAL 113 53.770 24.710 -2.229 918 HG21 VAL 113 3HG2 VAL 113 57.151 25.304 -3.131 919 HG22 VAL 113 1HG2 VAL 113 57.938 24.091 -2.122 920 HG23 VAL 113 2HG2 VAL 113 57.017 23.594 -3.541 921 H ASP 114 H ASP 114 53.997 26.888 0.106 922 HA ASP 114 HA ASP 114 52.285 26.757 1.600 923 HB2 ASP 114 1HB ASP 114 51.726 24.773 0.049 924 HB3 ASP 114 2HB ASP 114 52.354 23.759 1.346 925 H SER 115 H SER 115 54.418 27.272 2.904 926 HA SER 115 HA SER 115 54.473 25.392 5.171 927 HB2 SER 115 1HB SER 115 56.755 26.773 3.786 928 HB3 SER 115 2HB SER 115 56.890 26.303 5.480 929 HG SER 115 HG SER 115 57.513 24.485 4.584 930 H SER 116 H SER 116 55.615 26.608 7.116 931 HA SER 116 HA SER 116 53.847 28.595 7.971 932 HB2 SER 116 1HB SER 116 55.209 27.152 9.479 933 HB3 SER 116 2HB SER 116 56.639 28.079 9.023 934 HG SER 116 HG SER 116 55.229 28.651 11.007 935 H GLY 117 H GLY 117 53.783 30.747 7.754 936 HA2 GLY 117 1HA GLY 117 55.292 32.790 7.758 937 HA3 GLY 117 2HA GLY 117 56.051 32.029 6.368 938 H ARG 118 H ARG 118 53.498 34.007 7.469 939 HA ARG 118 HA ARG 118 52.710 34.553 4.734 940 HB2 ARG 118 1HB ARG 118 51.215 32.717 6.159 941 HB3 ARG 118 2HB ARG 118 50.337 34.220 6.406 942 HG2 ARG 118 1HG ARG 118 50.631 34.438 3.803 943 HG3 ARG 118 2HG ARG 118 50.810 32.685 3.906 944 HD2 ARG 118 1HD ARG 118 48.637 33.101 5.488 945 HD3 ARG 118 2HD ARG 118 48.437 34.371 4.281 946 HE ARG 118 HE ARG 118 47.832 32.760 2.792 947 HH11 ARG 118 1HH1 ARG 118 49.719 31.274 5.312 948 HH12 ARG 118 2HH1 ARG 118 49.509 29.667 4.701 949 HH21 ARG 118 1HH2 ARG 118 47.548 30.649 1.977 950 HH22 ARG 118 2HH2 ARG 118 48.275 29.312 2.803 951 H ILE 119 H ILE 119 54.000 35.925 7.024 952 HA ILE 119 HA ILE 119 52.442 38.366 6.874 953 HB ILE 119 HB ILE 119 52.544 38.745 9.332 954 HG12 ILE 119 1HG1 ILE 119 52.871 35.803 9.738 955 HG13 ILE 119 2HG1 ILE 119 54.314 36.780 9.491 956 HG21 ILE 119 1HG2 ILE 119 50.558 37.552 9.823 957 HG22 ILE 119 2HG2 ILE 119 50.524 37.889 8.093 958 HG23 ILE 119 3HG2 ILE 119 50.955 36.279 8.669 959 HD11 ILE 119 3HD1 ILE 119 52.669 38.077 11.409 960 HD12 ILE 119 1HD1 ILE 119 52.844 36.382 11.864 961 HD13 ILE 119 2HD1 ILE 119 54.276 37.381 11.614 962 H VAL 120 H VAL 120 53.723 39.964 8.607 963 HA VAL 120 HA VAL 120 55.558 41.358 8.513 964 HB VAL 120 HB VAL 120 57.555 40.348 9.544 965 HG11 VAL 120 1HG1 VAL 120 56.609 40.053 11.636 966 HG12 VAL 120 2HG1 VAL 120 55.359 40.960 10.783 967 HG13 VAL 120 3HG1 VAL 120 55.197 39.216 10.993 968 HG21 VAL 120 3HG2 VAL 120 57.415 38.177 8.358 969 HG22 VAL 120 1HG2 VAL 120 57.636 38.003 10.099 970 HG23 VAL 120 2HG2 VAL 120 56.046 37.741 9.381 971 H THR 121 H THR 121 54.986 40.519 5.939 972 HA THR 121 HA THR 121 57.178 39.352 4.588 973 HB THR 121 HB THR 121 54.941 39.439 3.588 974 HG1 THR 121 HG1 THR 121 55.776 39.591 1.617 975 HG21 THR 121 3HG2 THR 121 55.082 42.166 2.609 976 HG22 THR 121 1HG2 THR 121 54.971 42.105 4.367 977 HG23 THR 121 2HG2 THR 121 53.743 41.315 3.378 978 H LEU 122 H LEU 122 56.525 42.574 5.688 979 HA LEU 122 HA LEU 122 59.194 43.406 5.049 980 HB2 LEU 122 1HB LEU 122 58.484 45.380 3.716 981 HB3 LEU 122 2HB LEU 122 58.266 43.834 2.899 982 HG LEU 122 HG LEU 122 55.807 44.116 3.894 983 HD11 LEU 122 1HD1 LEU 122 55.407 46.123 4.745 984 HD12 LEU 122 2HD1 LEU 122 55.720 46.822 3.157 985 HD13 LEU 122 3HD1 LEU 122 57.030 46.671 4.327 986 HD21 LEU 122 3HD2 LEU 122 55.441 45.502 1.645 987 HD22 LEU 122 1HD2 LEU 122 55.823 43.780 1.651 988 HD23 LEU 122 2HD2 LEU 122 57.099 44.965 1.368 Start of MODEL 6 1 H1 GLY 1 H GLY 1 67.552 53.505 17.384 2 HA2 GLY 1 1HA GLY 1 67.543 54.465 14.679 3 HA3 GLY 1 2HA GLY 1 67.566 55.448 16.135 4 H SER 2 H SER 2 69.811 53.031 14.788 5 HA SER 2 HA SER 2 71.937 55.063 14.990 6 HB2 SER 2 1HB SER 2 72.211 53.202 16.597 7 HB3 SER 2 2HB SER 2 72.215 52.059 15.254 8 HG SER 2 HG SER 2 74.138 54.010 15.926 9 HA PRO 3 HA PRO 3 71.437 53.852 10.523 10 HB2 PRO 3 1HB PRO 3 71.474 56.397 9.579 11 HB3 PRO 3 2HB PRO 3 69.994 55.594 10.117 12 HG2 PRO 3 1HG PRO 3 71.730 57.545 11.581 13 HG3 PRO 3 2HG PRO 3 69.960 57.469 11.492 14 HD2 PRO 3 1HD PRO 3 71.354 56.537 13.619 15 HD3 PRO 3 2HD PRO 3 69.826 55.807 13.084 16 H PHE 4 H PHE 4 72.993 54.016 8.852 17 HA PHE 4 HA PHE 4 75.329 55.608 9.048 18 HB2 PHE 4 1HB PHE 4 75.763 53.938 10.870 19 HB3 PHE 4 2HB PHE 4 75.743 52.674 9.645 20 HD1 PHE 4 HD2 PHE 4 77.404 55.942 10.331 21 HD2 PHE 4 HD1 PHE 4 77.746 52.005 8.750 22 HE1 PHE 4 HE2 PHE 4 79.796 56.326 9.904 23 HE2 PHE 4 HE1 PHE 4 80.139 52.382 8.321 24 HZ PHE 4 HZ PHE 4 81.167 54.545 8.897 25 H ALA 5 H ALA 5 76.667 55.427 7.224 26 HA ALA 5 HA ALA 5 75.368 54.184 4.946 27 HB1 ALA 5 1HB ALA 5 76.352 55.770 3.712 28 HB2 ALA 5 2HB ALA 5 76.729 56.534 5.257 29 HB3 ALA 5 3HB ALA 5 77.927 55.511 4.464 30 H ASP 6 H ASP 6 75.974 52.341 4.008 31 HA ASP 6 HA ASP 6 78.333 50.965 5.050 32 HB2 ASP 6 1HB ASP 6 75.805 50.118 3.727 33 HB3 ASP 6 2HB ASP 6 77.229 49.113 3.471 34 HA PRO 7 HA PRO 7 80.803 51.409 1.455 35 HB2 PRO 7 1HB PRO 7 81.944 48.957 1.217 36 HB3 PRO 7 2HB PRO 7 82.382 50.101 2.491 37 HG2 PRO 7 1HG PRO 7 80.540 47.744 2.614 38 HG3 PRO 7 2HG PRO 7 81.762 48.271 3.785 39 HD2 PRO 7 1HD PRO 7 79.122 48.776 4.108 40 HD3 PRO 7 2HD PRO 7 80.383 49.881 4.689 41 H ASN 8 H ASN 8 80.154 51.556 -0.591 42 HA ASN 8 HA ASN 8 78.107 49.960 -1.702 43 HB2 ASN 8 1HB ASN 8 78.813 51.083 -3.872 44 HB3 ASN 8 2HB ASN 8 78.353 52.162 -2.559 45 HD21 ASN 8 2HD2 ASN 8 79.919 53.398 -1.542 46 HD22 ASN 8 1HD2 ASN 8 81.492 53.630 -2.217 47 H SER 9 H SER 9 81.609 49.808 -1.854 48 HA SER 9 HA SER 9 83.053 48.268 -2.705 49 HB2 SER 9 1HB SER 9 81.503 46.850 -1.187 50 HB3 SER 9 2HB SER 9 80.809 46.263 -2.699 51 HG SER 9 HG SER 9 82.926 45.600 -3.302 52 H LEU 10 H LEU 10 81.329 49.834 -4.533 53 HA LEU 10 HA LEU 10 80.623 48.192 -6.748 54 HB2 LEU 10 1HB LEU 10 79.922 50.642 -6.067 55 HB3 LEU 10 2HB LEU 10 81.287 51.073 -7.095 56 HG LEU 10 HG LEU 10 79.225 51.212 -8.346 57 HD11 LEU 10 1HD1 LEU 10 80.525 48.706 -9.332 58 HD12 LEU 10 2HD1 LEU 10 81.413 50.229 -9.315 59 HD13 LEU 10 3HD1 LEU 10 79.921 50.089 -10.245 60 HD21 LEU 10 3HD2 LEU 10 78.823 48.266 -7.897 61 HD22 LEU 10 1HD2 LEU 10 77.716 49.424 -8.635 62 HD23 LEU 10 2HD2 LEU 10 78.042 49.496 -6.903 63 H ALA 11 H ALA 11 82.348 46.933 -7.375 64 HA ALA 11 HA ALA 11 84.200 48.106 -9.176 65 HB1 ALA 11 1HB ALA 11 86.028 46.887 -7.424 66 HB2 ALA 11 2HB ALA 11 85.899 48.597 -7.837 67 HB3 ALA 11 3HB ALA 11 85.031 47.959 -6.440 68 H LEU 12 H LEU 12 84.447 46.632 -10.712 69 HA LEU 12 HA LEU 12 84.733 43.813 -9.974 70 HB2 LEU 12 1HB LEU 12 83.234 43.244 -11.931 71 HB3 LEU 12 2HB LEU 12 82.448 43.869 -10.483 72 HG LEU 12 HG LEU 12 83.123 45.774 -12.672 73 HD11 LEU 12 1HD1 LEU 12 80.832 43.819 -12.730 74 HD12 LEU 12 2HD1 LEU 12 82.119 43.996 -13.922 75 HD13 LEU 12 3HD1 LEU 12 80.924 45.276 -13.719 76 HD21 LEU 12 3HD2 LEU 12 82.109 47.017 -11.102 77 HD22 LEU 12 1HD2 LEU 12 81.366 45.617 -10.328 78 HD23 LEU 12 2HD2 LEU 12 80.624 46.329 -11.761 79 H ALA 13 H ALA 13 86.557 43.106 -10.840 80 HA ALA 13 HA ALA 13 87.337 44.108 -13.500 81 HB1 ALA 13 1HB ALA 13 89.077 43.613 -11.096 82 HB2 ALA 13 2HB ALA 13 89.717 43.793 -12.730 83 HB3 ALA 13 3HB ALA 13 88.840 45.123 -11.975 84 H ASN 14 H ASN 14 88.333 42.642 -14.900 85 HA ASN 14 HA ASN 14 87.479 39.948 -14.650 86 HB2 ASN 14 1HB ASN 14 89.572 40.911 -16.593 87 HB3 ASN 14 2HB ASN 14 88.409 39.605 -16.799 88 HD21 ASN 14 2HD2 ASN 14 86.103 40.270 -16.798 89 HD22 ASN 14 1HD2 ASN 14 85.698 41.755 -17.584 90 H VAL 15 H VAL 15 88.561 38.124 -14.087 91 HA VAL 15 HA VAL 15 91.282 38.488 -13.015 92 HB VAL 15 HB VAL 15 90.746 36.398 -11.670 93 HG11 VAL 15 1HG1 VAL 15 88.862 38.547 -10.851 94 HG12 VAL 15 2HG1 VAL 15 90.067 37.675 -9.901 95 HG13 VAL 15 3HG1 VAL 15 90.571 38.951 -11.009 96 HG21 VAL 15 3HG2 VAL 15 87.867 37.078 -12.039 97 HG22 VAL 15 1HG2 VAL 15 88.658 36.030 -13.217 98 HG23 VAL 15 2HG2 VAL 15 88.610 35.567 -11.516 99 HA PRO 16 HA PRO 16 92.905 35.570 -15.866 100 HB2 PRO 16 1HB PRO 16 94.836 34.387 -14.369 101 HB3 PRO 16 2HB PRO 16 94.974 36.039 -14.984 102 HG2 PRO 16 1HG PRO 16 94.172 35.093 -12.260 103 HG3 PRO 16 2HG PRO 16 95.247 36.430 -12.709 104 HD2 PRO 16 1HD PRO 16 92.672 36.818 -11.969 105 HD3 PRO 16 2HD PRO 16 93.494 37.859 -13.149 106 H LEU 17 H LEU 17 90.858 34.330 -15.834 107 HA LEU 17 HA LEU 17 91.288 31.680 -14.636 108 HB2 LEU 17 1HB LEU 17 89.629 32.788 -13.288 109 HB3 LEU 17 2HB LEU 17 88.712 33.241 -14.723 110 HG LEU 17 HG LEU 17 88.305 30.798 -15.122 111 HD11 LEU 17 1HD1 LEU 17 88.711 29.219 -13.388 112 HD12 LEU 17 2HD1 LEU 17 89.289 30.476 -12.295 113 HD13 LEU 17 3HD1 LEU 17 90.234 30.043 -13.719 114 HD21 LEU 17 3HD2 LEU 17 86.887 32.556 -13.703 115 HD22 LEU 17 1HD2 LEU 17 87.214 31.379 -12.431 116 HD23 LEU 17 2HD2 LEU 17 86.390 30.875 -13.907 117 H SER 18 H SER 18 92.048 30.913 -16.626 118 HA SER 18 HA SER 18 90.231 31.028 -18.911 119 HB2 SER 18 1HB SER 18 93.107 30.735 -18.559 120 HB3 SER 18 2HB SER 18 92.451 29.531 -19.668 121 HG SER 18 HG SER 18 91.724 32.239 -19.911 122 H ARG 19 H ARG 19 92.357 28.400 -17.831 123 HA ARG 19 HA ARG 19 90.061 26.569 -18.068 124 HB2 ARG 19 1HB ARG 19 91.957 24.826 -18.390 125 HB3 ARG 19 2HB ARG 19 91.525 25.876 -19.734 126 HG2 ARG 19 1HG ARG 19 93.905 25.739 -19.606 127 HG3 ARG 19 2HG ARG 19 93.413 27.360 -19.112 128 HD2 ARG 19 1HD ARG 19 93.933 26.986 -16.894 129 HD3 ARG 19 2HD ARG 19 93.772 25.236 -17.046 130 HE ARG 19 HE ARG 19 95.909 25.898 -18.629 131 HH11 ARG 19 1HH1 ARG 19 95.064 26.312 -15.277 132 HH12 ARG 19 2HH1 ARG 19 96.705 26.264 -14.723 133 HH21 ARG 19 1HH2 ARG 19 98.073 25.832 -17.911 134 HH22 ARG 19 2HH2 ARG 19 98.416 25.992 -16.222 135 H SER 20 H SER 20 90.409 24.500 -16.753 136 HA SER 20 HA SER 20 91.986 24.662 -14.378 137 HB2 SER 20 1HB SER 20 89.120 25.479 -14.301 138 HB3 SER 20 2HB SER 20 89.733 24.506 -12.965 139 HG SER 20 HG SER 20 90.334 27.116 -13.691 140 H LYS 21 H LYS 21 92.516 22.640 -13.922 141 HA LYS 21 HA LYS 21 90.911 20.457 -14.983 142 HB2 LYS 21 1HB LYS 21 93.672 20.672 -13.824 143 HB3 LYS 21 2HB LYS 21 92.896 19.103 -13.983 144 HG2 LYS 21 1HG LYS 21 92.809 19.266 -16.328 145 HG3 LYS 21 2HG LYS 21 93.184 20.990 -16.299 146 HD2 LYS 21 1HD LYS 21 95.424 20.494 -15.459 147 HD3 LYS 21 2HD LYS 21 95.049 18.769 -15.460 148 HE2 LYS 21 1HE LYS 21 96.300 19.241 -17.436 149 HE3 LYS 21 2HE LYS 21 94.630 18.947 -17.918 150 HZ1 LYS 21 3HZ LYS 21 94.794 21.653 -17.458 151 HZ2 LYS 21 1HZ LYS 21 94.720 20.884 -18.964 152 HZ3 LYS 21 2HZ LYS 21 96.220 21.273 -18.286 153 H ARG 22 H ARG 22 92.673 20.729 -11.903 154 HA ARG 22 HA ARG 22 90.439 20.614 -10.217 155 HB2 ARG 22 1HB ARG 22 90.739 18.220 -9.435 156 HB3 ARG 22 2HB ARG 22 89.959 18.431 -10.997 157 HG2 ARG 22 1HG ARG 22 91.996 17.852 -12.145 158 HG3 ARG 22 2HG ARG 22 92.870 17.768 -10.615 159 HD2 ARG 22 1HD ARG 22 91.728 15.835 -9.940 160 HD3 ARG 22 2HD ARG 22 90.461 16.061 -11.145 161 HE ARG 22 HE ARG 22 92.794 15.729 -12.567 162 HH11 ARG 22 1HH1 ARG 22 90.960 13.885 -10.252 163 HH12 ARG 22 2HH1 ARG 22 91.456 12.351 -10.886 164 HH21 ARG 22 1HH2 ARG 22 93.454 13.715 -13.410 165 HH22 ARG 22 2HH2 ARG 22 92.875 12.255 -12.682 166 HA PRO 23 HA PRO 23 94.589 21.515 -8.337 167 HB2 PRO 23 1HB PRO 23 93.839 23.884 -7.245 168 HB3 PRO 23 2HB PRO 23 94.442 23.737 -8.900 169 HG2 PRO 23 1HG PRO 23 91.619 23.934 -7.924 170 HG3 PRO 23 2HG PRO 23 92.383 24.739 -9.307 171 HD2 PRO 23 1HD PRO 23 90.821 22.544 -9.579 172 HD3 PRO 23 2HD PRO 23 92.193 22.879 -10.655 173 H ASP 24 H ASP 24 94.179 19.762 -6.898 174 HA ASP 24 HA ASP 24 93.434 20.627 -4.252 175 HB2 ASP 24 1HB ASP 24 91.614 19.181 -3.868 176 HB3 ASP 24 2HB ASP 24 91.274 19.910 -5.435 177 H PHE 25 H PHE 25 94.624 19.597 -2.764 178 HA PHE 25 HA PHE 25 96.349 17.427 -3.673 179 HB2 PHE 25 1HB PHE 25 97.302 19.425 -2.501 180 HB3 PHE 25 2HB PHE 25 96.435 18.930 -1.052 181 HD1 PHE 25 HD2 PHE 25 97.098 16.927 0.172 182 HD2 PHE 25 HD1 PHE 25 99.268 18.272 -3.234 183 HE1 PHE 25 HE2 PHE 25 98.983 15.478 0.805 184 HE2 PHE 25 HE1 PHE 25 101.156 16.824 -2.607 185 HZ PHE 25 HZ PHE 25 101.016 15.426 -0.584 186 H GLY 26 H GLY 26 94.270 18.155 -0.867 187 HA2 GLY 26 1HA GLY 26 92.639 16.188 -0.522 188 HA3 GLY 26 2HA GLY 26 94.121 15.265 -0.325 189 H GLN 27 H GLN 27 92.807 18.354 0.890 190 HA GLN 27 HA GLN 27 93.960 17.763 3.506 191 HB2 GLN 27 1HB GLN 27 92.968 20.216 2.137 192 HB3 GLN 27 2HB GLN 27 92.897 20.170 3.894 193 HG2 GLN 27 1HG GLN 27 94.939 21.157 3.495 194 HG3 GLN 27 2HG GLN 27 95.372 19.467 3.749 195 HE21 GLN 27 2HE2 GLN 27 94.676 21.849 1.242 196 HE22 GLN 27 1HE2 GLN 27 95.705 21.153 0.042 197 H ARG 28 H ARG 28 92.445 18.765 5.350 198 HA ARG 28 HA ARG 28 89.903 17.308 5.110 199 HB2 ARG 28 1HB ARG 28 89.938 17.396 7.638 200 HB3 ARG 28 2HB ARG 28 91.193 16.417 6.891 201 HG2 ARG 28 1HG ARG 28 91.844 19.243 7.493 202 HG3 ARG 28 2HG ARG 28 91.699 18.125 8.850 203 HD2 ARG 28 1HD ARG 28 93.315 17.302 6.489 204 HD3 ARG 28 2HD ARG 28 93.995 18.488 7.603 205 HE ARG 28 HE ARG 28 93.178 16.531 9.260 206 HH11 ARG 28 1HH1 ARG 28 95.099 16.512 6.357 207 HH12 ARG 28 2HH1 ARG 28 96.038 15.135 6.831 208 HH21 ARG 28 1HH2 ARG 28 94.407 14.718 9.896 209 HH22 ARG 28 2HH2 ARG 28 95.643 14.115 8.844 210 H ARG 29 H ARG 29 88.029 18.219 6.246 211 HA ARG 29 HA ARG 29 87.478 20.839 5.441 212 HB2 ARG 29 1HB ARG 29 85.479 20.618 6.983 213 HB3 ARG 29 2HB ARG 29 85.644 19.371 5.754 214 HG2 ARG 29 1HG ARG 29 86.251 17.750 7.294 215 HG3 ARG 29 2HG ARG 29 86.738 18.941 8.502 216 HD2 ARG 29 1HD ARG 29 84.270 19.631 8.534 217 HD3 ARG 29 2HD ARG 29 83.970 18.115 7.686 218 HE ARG 29 HE ARG 29 85.496 17.498 9.914 219 HH11 ARG 29 1HH1 ARG 29 82.364 18.854 9.230 220 HH12 ARG 29 2HH1 ARG 29 81.645 18.264 10.692 221 HH21 ARG 29 1HH2 ARG 29 84.561 16.717 11.842 222 HH22 ARG 29 2HH2 ARG 29 82.896 17.049 12.177 223 H ILE 30 H ILE 30 87.812 22.776 6.335 224 HA ILE 30 HA ILE 30 89.255 22.912 8.851 225 HB ILE 30 HB ILE 30 88.452 25.205 7.062 226 HG12 ILE 30 1HG1 ILE 30 89.760 23.583 5.778 227 HG13 ILE 30 2HG1 ILE 30 90.708 25.033 6.091 228 HG21 ILE 30 1HG2 ILE 30 90.445 24.896 9.292 229 HG22 ILE 30 2HG2 ILE 30 90.492 26.235 8.147 230 HG23 ILE 30 3HG2 ILE 30 89.086 26.015 9.188 231 HD11 ILE 30 3HD1 ILE 30 91.325 23.400 8.217 232 HD12 ILE 30 1HD1 ILE 30 91.202 22.283 6.858 233 HD13 ILE 30 2HD1 ILE 30 92.307 23.656 6.775 234 H ARG 31 H ARG 31 88.040 22.809 10.634 235 HA ARG 31 HA ARG 31 85.357 23.844 10.725 236 HB2 ARG 31 1HB ARG 31 87.157 22.381 12.596 237 HB3 ARG 31 2HB ARG 31 85.817 23.288 13.285 238 HG2 ARG 31 1HG ARG 31 84.438 22.001 11.451 239 HG3 ARG 31 2HG ARG 31 85.787 20.868 11.564 240 HD2 ARG 31 1HD ARG 31 85.282 20.266 13.709 241 HD3 ARG 31 2HD ARG 31 84.560 21.829 14.092 242 HE ARG 31 HE ARG 31 83.202 19.520 13.169 243 HH11 ARG 31 1HH1 ARG 31 83.228 22.991 12.896 244 HH12 ARG 31 2HH1 ARG 31 81.538 23.105 12.531 245 HH21 ARG 31 1HH2 ARG 31 80.976 19.658 12.690 246 HH22 ARG 31 2HH2 ARG 31 80.258 21.209 12.415 247 H ARG 32 H ARG 32 86.275 26.042 10.060 248 HA ARG 32 HA ARG 32 87.026 27.567 12.467 249 HB2 ARG 32 1HB ARG 32 87.796 27.851 9.591 250 HB3 ARG 32 2HB ARG 32 87.739 29.287 10.604 251 HG2 ARG 32 1HG ARG 32 89.196 27.003 11.745 252 HG3 ARG 32 2HG ARG 32 89.913 27.724 10.302 253 HD2 ARG 32 1HD ARG 32 89.704 29.954 11.427 254 HD3 ARG 32 2HD ARG 32 89.221 29.100 12.891 255 HE ARG 32 HE ARG 32 91.640 28.019 11.994 256 HH11 ARG 32 1HH1 ARG 32 90.388 30.984 13.320 257 HH12 ARG 32 2HH1 ARG 32 91.882 31.431 14.075 258 HH21 ARG 32 1HH2 ARG 32 93.613 28.596 12.982 259 HH22 ARG 32 2HH2 ARG 32 93.716 30.072 13.881 260 HA PRO 33 HA PRO 33 83.351 29.950 12.214 261 HB2 PRO 33 1HB PRO 33 84.225 32.435 12.871 262 HB3 PRO 33 2HB PRO 33 84.099 31.119 14.045 263 HG2 PRO 33 1HG PRO 33 86.507 32.127 12.580 264 HG3 PRO 33 2HG PRO 33 86.347 31.663 14.284 265 HD2 PRO 33 1HD PRO 33 87.443 30.027 12.425 266 HD3 PRO 33 2HD PRO 33 86.530 29.413 13.818 267 H PHE 34 H PHE 34 82.272 31.743 11.119 268 HA PHE 34 HA PHE 34 83.612 32.461 8.594 269 HB2 PHE 34 1HB PHE 34 81.120 32.701 7.814 270 HB3 PHE 34 2HB PHE 34 81.872 31.110 7.880 271 HD1 PHE 34 HD1 PHE 34 80.207 33.354 10.359 272 HD2 PHE 34 HD2 PHE 34 80.433 29.485 8.600 273 HE1 PHE 34 HE1 PHE 34 78.412 32.575 11.851 274 HE2 PHE 34 HE2 PHE 34 78.638 28.700 10.088 275 HZ PHE 34 HZ PHE 34 77.625 30.246 11.715 276 H THR 35 H THR 35 82.791 34.488 7.592 277 HA THR 35 HA THR 35 82.295 36.506 9.678 278 HB THR 35 HB THR 35 83.354 37.200 6.960 279 HG1 THR 35 HG1 THR 35 85.403 36.702 7.593 280 HG21 THR 35 3HG2 THR 35 82.808 39.099 8.233 281 HG22 THR 35 1HG2 THR 35 84.551 38.923 8.426 282 HG23 THR 35 2HG2 THR 35 83.464 38.402 9.714 283 H VAL 36 H VAL 36 80.991 38.372 9.070 284 HA VAL 36 HA VAL 36 78.484 37.742 8.122 285 HB VAL 36 HB VAL 36 78.853 39.761 9.393 286 HG11 VAL 36 1HG1 VAL 36 80.230 40.939 6.988 287 HG12 VAL 36 2HG1 VAL 36 80.050 41.654 8.591 288 HG13 VAL 36 3HG1 VAL 36 81.093 40.249 8.362 289 HG21 VAL 36 3HG2 VAL 36 76.898 39.707 7.936 290 HG22 VAL 36 1HG2 VAL 36 77.534 41.346 8.071 291 HG23 VAL 36 2HG2 VAL 36 77.847 40.396 6.619 292 H ALA 37 H ALA 37 81.293 38.851 6.330 293 HA ALA 37 HA ALA 37 79.929 39.349 3.883 294 HB1 ALA 37 1HB ALA 37 82.059 40.393 4.317 295 HB2 ALA 37 2HB ALA 37 82.845 38.817 4.433 296 HB3 ALA 37 3HB ALA 37 82.191 39.365 2.890 297 H GLU 38 H GLU 38 81.899 36.621 5.046 298 HA GLU 38 HA GLU 38 81.652 35.038 2.740 299 HB2 GLU 38 1HB GLU 38 82.300 34.457 5.608 300 HB3 GLU 38 2HB GLU 38 82.068 33.131 4.478 301 HG2 GLU 38 1HG GLU 38 83.793 34.361 3.017 302 HG3 GLU 38 2HG GLU 38 84.185 35.242 4.492 303 H VAL 39 H VAL 39 79.784 35.020 5.766 304 HA VAL 39 HA VAL 39 78.026 32.944 5.051 305 HB VAL 39 HB VAL 39 77.437 35.256 6.904 306 HG11 VAL 39 1HG1 VAL 39 76.358 32.582 7.458 307 HG12 VAL 39 2HG1 VAL 39 75.590 34.166 7.578 308 HG13 VAL 39 3HG1 VAL 39 75.713 33.361 6.013 309 HG21 VAL 39 3HG2 VAL 39 79.268 32.996 7.142 310 HG22 VAL 39 1HG2 VAL 39 79.166 34.478 8.092 311 HG23 VAL 39 2HG2 VAL 39 78.118 33.112 8.474 312 H GLU 40 H GLU 40 77.895 36.429 4.534 313 HA GLU 40 HA GLU 40 75.243 36.610 3.646 314 HB2 GLU 40 1HB GLU 40 77.686 38.276 3.398 315 HB3 GLU 40 2HB GLU 40 76.395 38.594 2.249 316 HG2 GLU 40 1HG GLU 40 75.960 38.514 5.219 317 HG3 GLU 40 2HG GLU 40 76.383 39.984 4.343 318 H LEU 41 H LEU 41 78.251 36.269 1.769 319 HA LEU 41 HA LEU 41 76.973 36.067 -0.744 320 HB2 LEU 41 1HB LEU 41 79.677 35.061 0.131 321 HB3 LEU 41 2HB LEU 41 79.134 35.201 -1.539 322 HG LEU 41 HG LEU 41 79.073 37.668 0.101 323 HD11 LEU 41 1HD1 LEU 41 81.184 36.829 0.823 324 HD12 LEU 41 2HD1 LEU 41 81.489 38.054 -0.408 325 HD13 LEU 41 3HD1 LEU 41 81.617 36.343 -0.816 326 HD21 LEU 41 3HD2 LEU 41 78.736 38.485 -1.934 327 HD22 LEU 41 1HD2 LEU 41 78.993 36.893 -2.650 328 HD23 LEU 41 2HD2 LEU 41 80.363 37.973 -2.386 329 H LEU 42 H LEU 42 78.001 33.666 1.627 330 HA LEU 42 HA LEU 42 77.680 31.347 0.143 331 HB2 LEU 42 1HB LEU 42 78.619 30.953 2.191 332 HB3 LEU 42 2HB LEU 42 77.502 32.029 3.029 333 HG LEU 42 HG LEU 42 75.766 30.348 2.954 334 HD11 LEU 42 1HD1 LEU 42 76.042 29.222 0.935 335 HD12 LEU 42 2HD1 LEU 42 76.481 28.019 2.147 336 HD13 LEU 42 3HD1 LEU 42 77.741 28.869 1.253 337 HD21 LEU 42 3HD2 LEU 42 77.968 28.632 3.852 338 HD22 LEU 42 1HD2 LEU 42 76.564 29.236 4.731 339 HD23 LEU 42 2HD2 LEU 42 77.983 30.263 4.523 340 H VAL 43 H VAL 43 75.271 32.662 2.426 341 HA VAL 43 HA VAL 43 73.161 31.021 1.601 342 HB VAL 43 HB VAL 43 71.668 32.677 2.678 343 HG11 VAL 43 1HG1 VAL 43 72.703 32.538 4.942 344 HG12 VAL 43 2HG1 VAL 43 72.672 31.004 4.069 345 HG13 VAL 43 3HG1 VAL 43 74.171 31.927 4.179 346 HG21 VAL 43 3HG2 VAL 43 73.003 34.545 3.920 347 HG22 VAL 43 1HG2 VAL 43 74.161 34.317 2.610 348 HG23 VAL 43 2HG2 VAL 43 72.500 34.784 2.247 349 H GLU 44 H GLU 44 74.137 34.248 0.523 350 HA GLU 44 HA GLU 44 71.947 34.769 -1.149 351 HB2 GLU 44 1HB GLU 44 73.590 36.475 -0.452 352 HB3 GLU 44 2HB GLU 44 74.803 35.706 -1.466 353 HG2 GLU 44 1HG GLU 44 73.311 36.136 -3.427 354 HG3 GLU 44 2HG GLU 44 72.290 37.093 -2.354 355 H ALA 45 H ALA 45 74.711 32.730 -1.555 356 HA ALA 45 HA ALA 45 74.564 32.545 -4.410 357 HB1 ALA 45 1HB ALA 45 75.867 30.534 -2.599 358 HB2 ALA 45 2HB ALA 45 76.286 30.954 -4.260 359 HB3 ALA 45 3HB ALA 45 76.603 32.097 -2.956 360 H VAL 46 H VAL 46 73.608 30.406 -1.731 361 HA VAL 46 HA VAL 46 72.417 28.456 -3.443 362 HB VAL 46 HB VAL 46 73.146 27.643 -1.355 363 HG11 VAL 46 1HG1 VAL 46 72.137 28.561 0.795 364 HG12 VAL 46 2HG1 VAL 46 73.327 29.574 -0.025 365 HG13 VAL 46 3HG1 VAL 46 71.607 29.936 -0.173 366 HG21 VAL 46 3HG2 VAL 46 70.163 27.905 -1.024 367 HG22 VAL 46 1HG2 VAL 46 70.929 26.803 -2.169 368 HG23 VAL 46 2HG2 VAL 46 71.203 26.607 -0.438 369 H GLU 47 H GLU 47 71.268 31.290 -1.735 370 HA GLU 47 HA GLU 47 68.491 30.733 -2.036 371 HB2 GLU 47 1HB GLU 47 68.123 32.734 -0.978 372 HB3 GLU 47 2HB GLU 47 69.774 32.421 -0.459 373 HG2 GLU 47 1HG GLU 47 70.598 33.871 -2.259 374 HG3 GLU 47 2HG GLU 47 68.934 34.211 -2.729 375 H HIS 48 H HIS 48 70.907 32.331 -3.993 376 HA HIS 48 HA HIS 48 69.089 33.580 -5.795 377 HB2 HIS 48 1HB HIS 48 71.468 34.282 -5.459 378 HB3 HIS 48 2HB HIS 48 71.971 32.819 -6.300 379 HD1 HIS 48 HD1 HIS 48 71.084 36.280 -6.880 380 HD2 HIS 48 HD2 HIS 48 70.981 32.756 -9.078 381 HE1 HIS 48 HE1 HIS 48 70.885 36.992 -9.284 382 H LEU 49 H LEU 49 70.474 30.408 -5.539 383 HA LEU 49 HA LEU 49 69.393 29.691 -8.178 384 HB2 LEU 49 1HB LEU 49 71.320 28.161 -6.437 385 HB3 LEU 49 2HB LEU 49 70.809 27.720 -8.065 386 HG LEU 49 HG LEU 49 72.302 30.264 -7.475 387 HD11 LEU 49 1HD1 LEU 49 73.829 28.106 -8.693 388 HD12 LEU 49 2HD1 LEU 49 73.341 27.761 -7.035 389 HD13 LEU 49 3HD1 LEU 49 74.269 29.216 -7.396 390 HD21 LEU 49 3HD2 LEU 49 70.960 29.437 -9.711 391 HD22 LEU 49 1HD2 LEU 49 72.610 28.910 -10.045 392 HD23 LEU 49 2HD2 LEU 49 72.281 30.606 -9.686 393 H GLY 50 H GLY 50 68.578 29.629 -4.975 394 HA2 GLY 50 1HA GLY 50 66.947 28.534 -3.787 395 HA3 GLY 50 2HA GLY 50 66.296 28.039 -5.342 396 H THR 51 H THR 51 66.132 25.924 -5.593 397 HA THR 51 HA THR 51 67.980 24.187 -4.093 398 HB THR 51 HB THR 51 66.264 22.443 -4.200 399 HG1 THR 51 HG1 THR 51 64.101 23.273 -4.922 400 HG21 THR 51 3HG2 THR 51 65.720 25.082 -2.962 401 HG22 THR 51 1HG2 THR 51 65.938 23.503 -2.210 402 HG23 THR 51 2HG2 THR 51 64.401 23.912 -2.971 403 H GLY 52 H GLY 52 68.545 25.366 -6.692 404 HA2 GLY 52 1HA GLY 52 68.099 23.593 -8.819 405 HA3 GLY 52 2HA GLY 52 69.422 24.746 -8.719 406 H ARG 53 H ARG 53 71.427 24.083 -7.889 407 HA ARG 53 HA ARG 53 71.763 21.261 -7.235 408 HB2 ARG 53 1HB ARG 53 72.883 22.615 -9.658 409 HB3 ARG 53 2HB ARG 53 73.822 21.356 -8.866 410 HG2 ARG 53 1HG ARG 53 70.981 20.947 -9.752 411 HG3 ARG 53 2HG ARG 53 72.370 20.629 -10.794 412 HD2 ARG 53 1HD ARG 53 73.196 18.957 -9.312 413 HD3 ARG 53 2HD ARG 53 72.031 19.401 -8.066 414 HE ARG 53 HE ARG 53 70.506 18.051 -9.090 415 HH11 ARG 53 1HH1 ARG 53 73.006 18.842 -11.380 416 HH12 ARG 53 2HH1 ARG 53 72.394 17.788 -12.611 417 HH21 ARG 53 1HH2 ARG 53 69.689 16.660 -10.703 418 HH22 ARG 53 2HH2 ARG 53 70.506 16.548 -12.225 419 H TRP 54 H TRP 54 73.677 20.793 -6.103 420 HA TRP 54 HA TRP 54 74.608 22.843 -4.413 421 HB2 TRP 54 1HB TRP 54 76.024 20.225 -4.917 422 HB3 TRP 54 2HB TRP 54 76.050 21.203 -3.452 423 HD1 TRP 54 HD1 TRP 54 72.796 21.604 -3.378 424 HE1 TRP 54 HE1 TRP 54 71.373 19.624 -2.554 425 HE3 TRP 54 HE3 TRP 54 76.157 17.824 -4.121 426 HZ2 TRP 54 HZ2 TRP 54 71.640 16.830 -2.257 427 HZ3 TRP 54 HZ3 TRP 54 75.495 15.526 -3.540 428 HH2 TRP 54 HH2 TRP 54 73.283 15.042 -2.627 429 H ARG 55 H ARG 55 75.937 21.399 -7.338 430 HA ARG 55 HA ARG 55 78.480 22.640 -7.187 431 HB2 ARG 55 1HB ARG 55 78.698 22.021 -9.554 432 HB3 ARG 55 2HB ARG 55 78.093 20.682 -8.588 433 HG2 ARG 55 1HG ARG 55 75.837 21.099 -9.377 434 HG3 ARG 55 2HG ARG 55 76.403 22.493 -10.299 435 HD2 ARG 55 1HD ARG 55 77.666 19.831 -10.758 436 HD3 ARG 55 2HD ARG 55 76.078 20.158 -11.450 437 HE ARG 55 HE ARG 55 78.002 22.214 -11.999 438 HH11 ARG 55 1HH1 ARG 55 76.759 19.126 -13.020 439 HH12 ARG 55 2HH1 ARG 55 77.267 19.319 -14.665 440 HH21 ARG 55 1HH2 ARG 55 78.676 22.480 -14.162 441 HH22 ARG 55 2HH2 ARG 55 78.357 21.227 -15.314 442 H ASP 56 H ASP 56 75.363 23.685 -8.317 443 HA ASP 56 HA ASP 56 76.249 25.862 -9.911 444 HB2 ASP 56 1HB ASP 56 73.857 24.649 -9.572 445 HB3 ASP 56 2HB ASP 56 73.616 26.081 -8.575 446 H VAL 57 H VAL 57 75.083 25.644 -6.561 447 HA VAL 57 HA VAL 57 75.395 28.409 -6.000 448 HB VAL 57 HB VAL 57 73.904 27.154 -4.620 449 HG11 VAL 57 1HG1 VAL 57 74.789 24.949 -4.800 450 HG12 VAL 57 2HG1 VAL 57 76.289 25.421 -3.998 451 HG13 VAL 57 3HG1 VAL 57 74.778 25.371 -3.089 452 HG21 VAL 57 3HG2 VAL 57 74.751 27.666 -2.371 453 HG22 VAL 57 1HG2 VAL 57 76.366 27.895 -3.042 454 HG23 VAL 57 2HG2 VAL 57 75.057 28.982 -3.504 455 H LYS 58 H LYS 58 77.493 25.609 -5.692 456 HA LYS 58 HA LYS 58 79.509 26.918 -4.158 457 HB2 LYS 58 1HB LYS 58 80.611 24.921 -4.195 458 HB3 LYS 58 2HB LYS 58 79.011 24.344 -4.644 459 HG2 LYS 58 1HG LYS 58 80.231 23.315 -6.252 460 HG3 LYS 58 2HG LYS 58 79.920 24.842 -7.081 461 HD2 LYS 58 1HD LYS 58 82.176 24.720 -7.387 462 HD3 LYS 58 2HD LYS 58 82.154 25.538 -5.822 463 HE2 LYS 58 1HE LYS 58 82.124 22.574 -5.812 464 HE3 LYS 58 2HE LYS 58 83.624 23.363 -6.294 465 HZ1 LYS 58 3HZ LYS 58 83.165 24.748 -4.143 466 HZ2 LYS 58 1HZ LYS 58 83.910 23.231 -4.049 467 HZ3 LYS 58 2HZ LYS 58 82.262 23.388 -3.698 468 H PHE 59 H PHE 59 78.777 26.684 -7.545 469 HA PHE 59 HA PHE 59 81.375 27.692 -8.356 470 HB2 PHE 59 1HB PHE 59 80.201 26.025 -9.749 471 HB3 PHE 59 2HB PHE 59 78.890 27.173 -10.002 472 HD1 PHE 59 HD2 PHE 59 82.612 27.111 -10.303 473 HD2 PHE 59 HD1 PHE 59 78.888 28.269 -12.008 474 HE1 PHE 59 HE2 PHE 59 83.795 28.022 -12.259 475 HE2 PHE 59 HE1 PHE 59 80.065 29.181 -13.967 476 HZ PHE 59 HZ PHE 59 82.521 29.060 -14.093 477 H ARG 60 H ARG 60 78.004 28.802 -8.334 478 HA ARG 60 HA ARG 60 78.391 31.300 -9.504 479 HB2 ARG 60 1HB ARG 60 76.188 30.189 -8.981 480 HB3 ARG 60 2HB ARG 60 76.408 30.693 -7.311 481 HG2 ARG 60 1HG ARG 60 76.538 33.052 -8.126 482 HG3 ARG 60 2HG ARG 60 76.083 32.456 -9.724 483 HD2 ARG 60 1HD ARG 60 73.956 32.645 -9.106 484 HD3 ARG 60 2HD ARG 60 74.233 31.328 -7.966 485 HE ARG 60 HE ARG 60 74.087 32.846 -6.273 486 HH11 ARG 60 1HH1 ARG 60 74.839 34.542 -9.219 487 HH12 ARG 60 2HH1 ARG 60 74.718 36.113 -8.498 488 HH21 ARG 60 1HH2 ARG 60 73.925 34.908 -5.313 489 HH22 ARG 60 2HH2 ARG 60 74.199 36.320 -6.277 490 H ALA 61 H ALA 61 78.461 30.389 -6.068 491 HA ALA 61 HA ALA 61 78.964 32.940 -5.029 492 HB1 ALA 61 1HB ALA 61 79.086 30.186 -4.058 493 HB2 ALA 61 2HB ALA 61 80.219 31.278 -3.260 494 HB3 ALA 61 3HB ALA 61 78.495 31.647 -3.264 495 H PHE 62 H PHE 62 81.409 30.370 -4.931 496 HA PHE 62 HA PHE 62 83.358 31.750 -6.442 497 HB2 PHE 62 1HB PHE 62 83.157 32.420 -3.593 498 HB3 PHE 62 2HB PHE 62 84.767 31.909 -4.088 499 HD1 PHE 62 HD2 PHE 62 85.456 33.004 -6.479 500 HD2 PHE 62 HD1 PHE 62 82.784 34.671 -3.616 501 HE1 PHE 62 HE2 PHE 62 85.888 35.248 -7.388 502 HE2 PHE 62 HE1 PHE 62 83.211 36.919 -4.521 503 HZ PHE 62 HZ PHE 62 84.766 37.210 -6.409 504 H GLU 63 H GLU 63 83.801 29.779 -7.344 505 HA GLU 63 HA GLU 63 84.133 27.363 -5.979 506 HB2 GLU 63 1HB GLU 63 83.827 27.633 -8.451 507 HB3 GLU 63 2HB GLU 63 85.499 28.165 -8.551 508 HG2 GLU 63 1HG GLU 63 86.336 26.067 -8.043 509 HG3 GLU 63 2HG GLU 63 84.823 25.532 -7.313 510 H ASN 64 H ASN 64 86.193 30.088 -6.209 511 HA ASN 64 HA ASN 64 88.360 28.555 -4.932 512 HB2 ASN 64 1HB ASN 64 88.542 30.741 -7.001 513 HB3 ASN 64 2HB ASN 64 89.905 30.310 -5.973 514 HD21 ASN 64 2HD2 ASN 64 91.272 29.341 -7.317 515 HD22 ASN 64 1HD2 ASN 64 90.895 27.981 -8.313 516 H VAL 65 H VAL 65 86.470 29.596 -3.337 517 HA VAL 65 HA VAL 65 87.062 32.279 -2.510 518 HB VAL 65 HB VAL 65 84.820 31.337 -2.201 519 HG11 VAL 65 1HG1 VAL 65 84.320 29.524 -0.854 520 HG12 VAL 65 2HG1 VAL 65 85.839 29.022 -1.600 521 HG13 VAL 65 3HG1 VAL 65 85.829 29.647 0.050 522 HG21 VAL 65 3HG2 VAL 65 86.149 32.966 -0.498 523 HG22 VAL 65 1HG2 VAL 65 84.437 32.568 -0.354 524 HG23 VAL 65 2HG2 VAL 65 85.629 31.693 0.606 525 H HIS 66 H HIS 66 87.913 29.041 -1.405 526 HA HIS 66 HA HIS 66 90.333 29.805 -0.249 527 HB2 HIS 66 1HB HIS 66 89.141 30.961 1.464 528 HB3 HIS 66 2HB HIS 66 88.024 29.618 1.686 529 HD1 HIS 66 HD1 HIS 66 88.488 28.399 3.772 530 HD2 HIS 66 HD2 HIS 66 91.968 29.905 2.073 531 HE1 HIS 66 HE1 HIS 66 90.346 27.707 5.319 532 H HIS 67 H HIS 67 87.766 27.636 0.946 533 HA HIS 67 HA HIS 67 88.798 25.306 -0.259 534 HB2 HIS 67 1HB HIS 67 90.627 25.750 1.395 535 HB3 HIS 67 2HB HIS 67 89.444 25.551 2.684 536 HD1 HIS 67 HD1 HIS 67 90.940 23.536 3.515 537 HD2 HIS 67 HD2 HIS 67 89.127 22.999 -0.184 538 HE1 HIS 67 HE1 HIS 67 91.105 21.073 3.037 539 H ARG 68 H ARG 68 86.323 25.971 -0.367 540 HA ARG 68 HA ARG 68 84.915 24.499 1.761 541 HB2 ARG 68 1HB ARG 68 83.983 26.749 -0.022 542 HB3 ARG 68 2HB ARG 68 82.887 25.785 0.959 543 HG2 ARG 68 1HG ARG 68 85.212 27.302 2.110 544 HG3 ARG 68 2HG ARG 68 83.595 27.988 1.938 545 HD2 ARG 68 1HD ARG 68 82.845 25.843 3.206 546 HD3 ARG 68 2HD ARG 68 84.535 25.764 3.702 547 HE ARG 68 HE ARG 68 82.551 27.533 4.702 548 HH11 ARG 68 1HH1 ARG 68 85.940 27.314 3.937 549 HH12 ARG 68 2HH1 ARG 68 86.412 28.518 5.090 550 HH21 ARG 68 1HH2 ARG 68 83.159 29.120 6.224 551 HH22 ARG 68 2HH2 ARG 68 84.829 29.544 6.391 552 H THR 69 H THR 69 82.696 23.663 0.854 553 HA THR 69 HA THR 69 83.105 22.464 -1.799 554 HB THR 69 HB THR 69 82.041 20.906 0.560 555 HG1 THR 69 HG1 THR 69 84.047 20.476 1.053 556 HG21 THR 69 3HG2 THR 69 82.466 18.973 -0.937 557 HG22 THR 69 1HG2 THR 69 82.896 20.100 -2.223 558 HG23 THR 69 2HG2 THR 69 81.256 20.085 -1.576 559 H TYR 70 H TYR 70 81.202 21.891 -2.918 560 HA TYR 70 HA TYR 70 79.091 23.642 -2.791 561 HB2 TYR 70 1HB TYR 70 77.812 21.891 -4.100 562 HB3 TYR 70 2HB TYR 70 79.378 22.343 -4.764 563 HD1 TYR 70 HD1 TYR 70 77.450 19.686 -3.142 564 HD2 TYR 70 HD2 TYR 70 81.234 20.774 -4.755 565 HE1 TYR 70 HE1 TYR 70 78.121 17.320 -3.149 566 HE2 TYR 70 HE2 TYR 70 81.914 18.411 -4.768 567 HH TYR 70 HH TYR 70 80.617 16.122 -4.866 568 H VAL 71 H VAL 71 79.352 20.452 -1.277 569 HA VAL 71 HA VAL 71 76.733 20.373 -0.225 570 HB VAL 71 HB VAL 71 78.086 18.354 -0.411 571 HG11 VAL 71 1HG1 VAL 71 80.139 19.853 0.566 572 HG12 VAL 71 2HG1 VAL 71 79.716 18.870 1.969 573 HG13 VAL 71 3HG1 VAL 71 80.144 18.094 0.444 574 HG21 VAL 71 3HG2 VAL 71 76.563 19.134 1.846 575 HG22 VAL 71 1HG2 VAL 71 76.808 17.512 1.197 576 HG23 VAL 71 2HG2 VAL 71 77.905 18.146 2.424 577 H ASP 72 H ASP 72 79.738 21.739 0.952 578 HA ASP 72 HA ASP 72 78.947 22.173 3.626 579 HB2 ASP 72 1HB ASP 72 80.947 23.710 1.954 580 HB3 ASP 72 2HB ASP 72 80.813 23.778 3.709 581 H LEU 73 H LEU 73 78.713 24.173 0.718 582 HA LEU 73 HA LEU 73 77.705 26.481 2.003 583 HB2 LEU 73 1HB LEU 73 77.254 25.603 -0.844 584 HB3 LEU 73 2HB LEU 73 77.092 27.239 -0.208 585 HG LEU 73 HG LEU 73 79.547 25.699 -0.899 586 HD11 LEU 73 1HD1 LEU 73 78.371 27.530 -2.285 587 HD12 LEU 73 2HD1 LEU 73 80.122 27.604 -2.089 588 HD13 LEU 73 3HD1 LEU 73 79.082 28.647 -1.119 589 HD21 LEU 73 3HD2 LEU 73 79.253 27.581 1.393 590 HD22 LEU 73 1HD2 LEU 73 80.727 27.631 0.426 591 HD23 LEU 73 2HD2 LEU 73 80.256 26.138 1.238 592 H LYS 74 H LYS 74 76.073 23.859 0.234 593 HA LYS 74 HA LYS 74 73.452 24.813 0.640 594 HB2 LYS 74 1HB LYS 74 74.417 22.936 -0.941 595 HB3 LYS 74 2HB LYS 74 74.008 21.884 0.408 596 HG2 LYS 74 1HG LYS 74 72.010 23.779 -0.780 597 HG3 LYS 74 2HG LYS 74 72.279 22.163 -1.439 598 HD2 LYS 74 1HD LYS 74 71.884 21.312 0.932 599 HD3 LYS 74 2HD LYS 74 71.271 22.928 1.290 600 HE2 LYS 74 1HE LYS 74 69.494 22.703 -0.238 601 HE3 LYS 74 2HE LYS 74 70.228 21.298 -1.009 602 HZ1 LYS 74 3HZ LYS 74 68.470 20.530 0.358 603 HZ2 LYS 74 1HZ LYS 74 69.002 21.433 1.687 604 HZ3 LYS 74 2HZ LYS 74 69.909 20.113 1.144 605 H ASP 75 H ASP 75 75.437 22.500 2.447 606 HA ASP 75 HA ASP 75 73.440 21.812 4.335 607 HB2 ASP 75 1HB ASP 75 75.586 20.539 3.817 608 HB3 ASP 75 2HB ASP 75 76.415 21.722 4.826 609 H LYS 76 H LYS 76 75.942 24.291 4.255 610 HA LYS 76 HA LYS 76 75.732 25.163 6.914 611 HB2 LYS 76 1HB LYS 76 76.746 26.335 4.371 612 HB3 LYS 76 2HB LYS 76 76.465 27.431 5.717 613 HG2 LYS 76 1HG LYS 76 78.043 26.331 7.076 614 HG3 LYS 76 2HG LYS 76 78.127 24.945 5.987 615 HD2 LYS 76 1HD LYS 76 80.013 26.005 5.302 616 HD3 LYS 76 2HD LYS 76 78.861 26.867 4.280 617 HE2 LYS 76 1HE LYS 76 78.684 28.545 6.193 618 HE3 LYS 76 2HE LYS 76 80.122 27.769 6.855 619 HZ1 LYS 76 3HZ LYS 76 80.015 29.753 4.924 620 HZ2 LYS 76 1HZ LYS 76 80.515 28.350 4.120 621 HZ3 LYS 76 2HZ LYS 76 81.382 28.912 5.460 622 H TRP 77 H TRP 77 74.105 26.323 3.973 623 HA TRP 77 HA TRP 77 72.609 28.357 5.196 624 HB2 TRP 77 1HB TRP 77 72.769 28.395 2.830 625 HB3 TRP 77 2HB TRP 77 72.176 26.742 2.687 626 HD1 TRP 77 HD1 TRP 77 70.915 30.300 3.450 627 HE1 TRP 77 HE1 TRP 77 68.389 30.384 2.964 628 HE3 TRP 77 HE3 TRP 77 70.116 25.349 2.461 629 HZ2 TRP 77 HZ2 TRP 77 66.330 28.588 2.256 630 HZ3 TRP 77 HZ3 TRP 77 67.839 24.613 1.888 631 HH2 TRP 77 HH2 TRP 77 65.986 26.201 1.789 632 H LYS 78 H LYS 78 71.716 25.000 4.420 633 HA LYS 78 HA LYS 78 69.110 25.067 5.416 634 HB2 LYS 78 1HB LYS 78 69.901 23.224 4.053 635 HB3 LYS 78 2HB LYS 78 71.072 22.771 5.285 636 HG2 LYS 78 1HG LYS 78 69.506 21.789 6.614 637 HG3 LYS 78 2HG LYS 78 68.206 22.843 6.053 638 HD2 LYS 78 1HD LYS 78 67.786 20.642 5.215 639 HD3 LYS 78 2HD LYS 78 68.292 21.651 3.858 640 HE2 LYS 78 1HE LYS 78 70.341 20.608 3.676 641 HE3 LYS 78 2HE LYS 78 70.338 20.079 5.358 642 HZ1 LYS 78 3HZ LYS 78 68.727 18.412 4.848 643 HZ2 LYS 78 1HZ LYS 78 69.992 18.266 3.733 644 HZ3 LYS 78 2HZ LYS 78 68.534 18.987 3.269 645 H THR 79 H THR 79 72.151 24.241 7.045 646 HA THR 79 HA THR 79 71.007 23.573 9.536 647 HB THR 79 HB THR 79 73.783 24.666 9.050 648 HG1 THR 79 HG1 THR 79 72.648 22.107 8.687 649 HG21 THR 79 3HG2 THR 79 74.394 23.726 11.106 650 HG22 THR 79 1HG2 THR 79 72.942 22.730 11.187 651 HG23 THR 79 2HG2 THR 79 72.831 24.473 11.432 652 H LEU 80 H LEU 80 72.586 26.575 8.438 653 HA LEU 80 HA LEU 80 72.186 28.051 10.776 654 HB2 LEU 80 1HB LEU 80 73.143 29.727 9.644 655 HB3 LEU 80 2HB LEU 80 73.425 28.499 8.412 656 HG LEU 80 HG LEU 80 71.108 29.300 7.500 657 HD11 LEU 80 1HD1 LEU 80 70.195 30.948 8.683 658 HD12 LEU 80 2HD1 LEU 80 71.457 31.989 8.027 659 HD13 LEU 80 3HD1 LEU 80 71.678 31.219 9.599 660 HD21 LEU 80 3HD2 LEU 80 72.317 30.220 5.857 661 HD22 LEU 80 1HD2 LEU 80 73.720 29.749 6.817 662 HD23 LEU 80 2HD2 LEU 80 73.076 31.387 6.941 663 H VAL 81 H VAL 81 70.050 27.362 8.098 664 HA VAL 81 HA VAL 81 68.102 29.344 8.648 665 HB VAL 81 HB VAL 81 68.046 26.769 7.105 666 HG11 VAL 81 1HG1 VAL 81 65.859 26.815 8.006 667 HG12 VAL 81 2HG1 VAL 81 65.717 28.557 7.760 668 HG13 VAL 81 3HG1 VAL 81 65.732 27.467 6.373 669 HG21 VAL 81 3HG2 VAL 81 69.048 29.060 6.342 670 HG22 VAL 81 1HG2 VAL 81 68.079 28.099 5.224 671 HG23 VAL 81 2HG2 VAL 81 67.359 29.478 6.055 672 H HIS 82 H HIS 82 68.333 25.908 9.530 673 HA HIS 82 HA HIS 82 65.908 25.733 10.921 674 HB2 HIS 82 1HB HIS 82 67.624 23.886 10.194 675 HB3 HIS 82 2HB HIS 82 68.305 24.160 11.795 676 HD1 HIS 82 HD1 HIS 82 67.609 21.939 12.798 677 HD2 HIS 82 HD2 HIS 82 64.428 24.069 11.185 678 HE1 HIS 82 HE1 HIS 82 65.539 20.729 13.554 679 H THR 83 H THR 83 69.170 26.536 12.053 680 HA THR 83 HA THR 83 68.463 26.794 14.787 681 HB THR 83 HB THR 83 70.787 28.080 13.341 682 HG1 THR 83 HG1 THR 83 70.647 25.732 13.191 683 HG21 THR 83 3HG2 THR 83 70.190 27.582 16.249 684 HG22 THR 83 1HG2 THR 83 70.571 29.112 15.460 685 HG23 THR 83 2HG2 THR 83 71.822 27.883 15.654 686 H ALA 84 H ALA 84 68.373 28.966 12.058 687 HA ALA 84 HA ALA 84 67.982 31.332 13.659 688 HB1 ALA 84 1HB ALA 84 67.926 32.528 11.654 689 HB2 ALA 84 2HB ALA 84 69.051 31.207 11.334 690 HB3 ALA 84 3HB ALA 84 67.398 31.125 10.724 691 H SER 85 H SER 85 66.032 28.772 12.698 692 HA SER 85 HA SER 85 63.585 30.390 12.732 693 HB2 SER 85 1HB SER 85 64.098 28.614 10.916 694 HB3 SER 85 2HB SER 85 63.680 27.437 12.162 695 HG SER 85 HG SER 85 61.808 27.880 11.097 696 H ILE 86 H ILE 86 65.459 28.279 14.650 697 HA ILE 86 HA ILE 86 63.235 27.559 16.392 698 HB ILE 86 HB ILE 86 64.781 26.161 17.584 699 HG12 ILE 86 1HG1 ILE 86 66.937 27.402 15.862 700 HG13 ILE 86 2HG1 ILE 86 66.712 27.673 17.586 701 HG21 ILE 86 1HG2 ILE 86 64.270 25.928 14.802 702 HG22 ILE 86 2HG2 ILE 86 65.887 25.302 15.119 703 HG23 ILE 86 3HG2 ILE 86 64.502 24.645 15.990 704 HD11 ILE 86 3HD1 ILE 86 68.491 26.132 17.323 705 HD12 ILE 86 1HD1 ILE 86 67.103 25.229 17.928 706 HD13 ILE 86 2HD1 ILE 86 67.545 25.130 16.223 707 H ALA 87 H ALA 87 64.286 27.538 18.864 708 HA ALA 87 HA ALA 87 64.662 30.396 19.420 709 HB1 ALA 87 1HB ALA 87 63.298 28.187 20.814 710 HB2 ALA 87 2HB ALA 87 64.144 29.343 21.843 711 HB3 ALA 87 3HB ALA 87 62.894 29.902 20.730 712 HA PRO 88 HA PRO 88 68.732 29.913 20.987 713 HB2 PRO 88 1HB PRO 88 68.724 31.557 23.147 714 HB3 PRO 88 2HB PRO 88 68.704 32.156 21.484 715 HG2 PRO 88 1HG PRO 88 66.435 31.834 23.410 716 HG3 PRO 88 2HG PRO 88 66.784 33.178 22.307 717 HD2 PRO 88 1HD PRO 88 64.942 31.275 21.746 718 HD3 PRO 88 2HD PRO 88 65.898 32.079 20.485 719 H GLN 89 H GLN 89 66.114 29.486 23.306 720 HA GLN 89 HA GLN 89 67.671 28.290 25.349 721 HB2 GLN 89 1HB GLN 89 65.454 27.464 26.191 722 HB3 GLN 89 2HB GLN 89 65.543 29.201 25.935 723 HG2 GLN 89 1HG GLN 89 64.108 29.156 24.155 724 HG3 GLN 89 2HG GLN 89 64.504 27.489 23.739 725 HE21 GLN 89 2HE2 GLN 89 61.962 27.951 23.664 726 HE22 GLN 89 1HE2 GLN 89 61.126 27.363 25.057 727 H GLN 90 H GLN 90 66.708 27.173 22.318 728 HA GLN 90 HA GLN 90 66.925 24.360 23.141 729 HB2 GLN 90 1HB GLN 90 65.869 25.559 20.574 730 HB3 GLN 90 2HB GLN 90 65.955 23.838 20.925 731 HG2 GLN 90 1HG GLN 90 64.430 25.731 22.678 732 HG3 GLN 90 2HG GLN 90 63.715 25.009 21.237 733 HE21 GLN 90 2HE2 GLN 90 62.427 24.447 23.426 734 HE22 GLN 90 1HE2 GLN 90 62.748 22.848 23.996 735 H ARG 91 H ARG 91 68.304 26.818 21.057 736 HA ARG 91 HA ARG 91 70.839 25.617 20.986 737 HB2 ARG 91 1HB ARG 91 68.962 24.709 18.951 738 HB3 ARG 91 2HB ARG 91 70.413 25.415 18.253 739 HG2 ARG 91 1HG ARG 91 71.573 23.853 20.061 740 HG3 ARG 91 2HG ARG 91 70.078 22.942 19.841 741 HD2 ARG 91 1HD ARG 91 71.552 22.032 18.268 742 HD3 ARG 91 2HD ARG 91 70.542 23.135 17.335 743 HE ARG 91 HE ARG 91 72.417 24.329 16.839 744 HH11 ARG 91 1HH1 ARG 91 73.028 22.454 19.708 745 HH12 ARG 91 2HH1 ARG 91 74.697 22.909 19.807 746 HH21 ARG 91 1HH2 ARG 91 74.612 24.936 16.959 747 HH22 ARG 91 2HH2 ARG 91 75.597 24.322 18.244 748 H ARG 92 H ARG 92 72.046 27.387 20.966 749 HA ARG 92 HA ARG 92 71.125 29.832 19.761 750 HB2 ARG 92 1HB ARG 92 72.494 29.594 21.917 751 HB3 ARG 92 2HB ARG 92 73.882 29.343 20.867 752 HG2 ARG 92 1HG ARG 92 73.703 31.518 19.955 753 HG3 ARG 92 2HG ARG 92 72.114 31.764 20.681 754 HD2 ARG 92 1HD ARG 92 73.885 32.958 21.896 755 HD3 ARG 92 2HD ARG 92 73.092 31.745 22.898 756 HE ARG 92 HE ARG 92 75.079 30.618 23.047 757 HH11 ARG 92 1HH1 ARG 92 75.266 32.929 20.449 758 HH12 ARG 92 2HH1 ARG 92 76.962 32.691 20.186 759 HH21 ARG 92 1HH2 ARG 92 77.312 30.297 22.710 760 HH22 ARG 92 2HH2 ARG 92 78.124 31.194 21.472 761 H GLY 93 H GLY 93 72.590 31.113 18.318 762 HA2 GLY 93 1HA GLY 93 73.924 29.330 16.373 763 HA3 GLY 93 2HA GLY 93 72.920 30.686 15.881 764 H ALA 94 H ALA 94 75.443 30.516 14.903 765 HA ALA 94 HA ALA 94 77.526 31.656 16.313 766 HB1 ALA 94 1HB ALA 94 77.633 32.697 13.681 767 HB2 ALA 94 2HB ALA 94 78.514 31.325 14.356 768 HB3 ALA 94 3HB ALA 94 76.944 31.076 13.591 769 HA PRO 95 HA PRO 95 76.608 35.890 17.008 770 HB2 PRO 95 1HB PRO 95 78.994 37.091 16.524 771 HB3 PRO 95 2HB PRO 95 78.694 36.089 17.949 772 HG2 PRO 95 1HG PRO 95 80.063 35.374 15.384 773 HG3 PRO 95 2HG PRO 95 80.527 34.976 17.049 774 HD2 PRO 95 1HD PRO 95 79.274 33.210 15.424 775 HD3 PRO 95 2HD PRO 95 79.029 33.230 17.183 776 H VAL 96 H VAL 96 75.228 35.753 14.971 777 HA VAL 96 HA VAL 96 76.313 37.591 12.936 778 HB VAL 96 HB VAL 96 74.612 36.499 11.375 779 HG11 VAL 96 1HG1 VAL 96 76.225 34.365 11.265 780 HG12 VAL 96 2HG1 VAL 96 76.712 35.967 10.710 781 HG13 VAL 96 3HG1 VAL 96 77.195 35.403 12.310 782 HG21 VAL 96 3HG2 VAL 96 74.796 34.238 13.358 783 HG22 VAL 96 1HG2 VAL 96 73.414 35.328 13.243 784 HG23 VAL 96 2HG2 VAL 96 73.842 34.299 11.876 785 HA PRO 97 HA PRO 97 72.957 40.309 13.726 786 HB2 PRO 97 1HB PRO 97 72.502 41.332 11.253 787 HB3 PRO 97 2HB PRO 97 73.921 41.751 12.220 788 HG2 PRO 97 1HG PRO 97 73.670 39.784 9.977 789 HG3 PRO 97 2HG PRO 97 74.960 40.958 10.296 790 HD2 PRO 97 1HD PRO 97 75.193 38.332 10.917 791 HD3 PRO 97 2HD PRO 97 75.966 39.612 11.874 792 H GLN 98 H GLN 98 70.701 40.724 13.296 793 HA GLN 98 HA GLN 98 69.184 38.390 12.899 794 HB2 GLN 98 1HB GLN 98 67.248 39.779 13.141 795 HB3 GLN 98 2HB GLN 98 68.480 40.379 14.243 796 HG2 GLN 98 1HG GLN 98 69.036 42.148 12.641 797 HG3 GLN 98 2HG GLN 98 67.771 41.556 11.565 798 HE21 GLN 98 2HE2 GLN 98 65.833 42.428 11.758 799 HE22 GLN 98 1HE2 GLN 98 65.264 43.344 13.107 800 H GLU 99 H GLU 99 70.199 40.927 10.728 801 HA GLU 99 HA GLU 99 68.414 40.610 8.634 802 HB2 GLU 99 1HB GLU 99 70.246 41.435 7.173 803 HB3 GLU 99 2HB GLU 99 70.027 42.401 8.625 804 HG2 GLU 99 1HG GLU 99 71.894 40.662 9.486 805 HG3 GLU 99 2HG GLU 99 72.304 40.749 7.774 806 H LEU 100 H LEU 100 71.384 38.802 9.319 807 HA LEU 100 HA LEU 100 71.449 37.226 7.021 808 HB2 LEU 100 1HB LEU 100 72.596 37.108 9.720 809 HB3 LEU 100 2HB LEU 100 72.435 35.546 8.921 810 HG LEU 100 HG LEU 100 74.655 36.441 8.576 811 HD11 LEU 100 1HD1 LEU 100 73.740 36.939 5.877 812 HD12 LEU 100 2HD1 LEU 100 72.948 35.535 6.591 813 HD13 LEU 100 3HD1 LEU 100 74.708 35.610 6.516 814 HD21 LEU 100 3HD2 LEU 100 73.154 38.892 7.984 815 HD22 LEU 100 1HD2 LEU 100 74.491 38.558 6.883 816 HD23 LEU 100 2HD2 LEU 100 74.787 38.682 8.618 817 H LEU 101 H LEU 101 69.741 36.742 10.077 818 HA LEU 101 HA LEU 101 68.724 34.166 9.354 819 HB2 LEU 101 1HB LEU 101 67.812 36.083 11.495 820 HB3 LEU 101 2HB LEU 101 67.330 34.393 11.354 821 HG LEU 101 HG LEU 101 68.941 34.088 12.895 822 HD11 LEU 101 1HD1 LEU 101 69.775 33.138 10.682 823 HD12 LEU 101 2HD1 LEU 101 70.958 33.334 11.974 824 HD13 LEU 101 3HD1 LEU 101 70.894 34.501 10.653 825 HD21 LEU 101 3HD2 LEU 101 71.040 35.725 12.790 826 HD22 LEU 101 1HD2 LEU 101 69.543 36.153 13.620 827 HD23 LEU 101 2HD2 LEU 101 69.852 36.759 11.993 828 H ASP 102 H ASP 102 67.699 37.452 8.921 829 HA ASP 102 HA ASP 102 64.959 36.850 8.344 830 HB2 ASP 102 1HB ASP 102 65.931 39.094 9.129 831 HB3 ASP 102 2HB ASP 102 66.426 39.327 7.455 832 H ARG 103 H ARG 103 67.873 37.404 6.423 833 HA ARG 103 HA ARG 103 66.561 37.308 3.901 834 HB2 ARG 103 1HB ARG 103 68.847 37.054 2.981 835 HB3 ARG 103 2HB ARG 103 68.712 38.395 4.110 836 HG2 ARG 103 1HG ARG 103 69.668 36.925 5.874 837 HG3 ARG 103 2HG ARG 103 69.932 35.696 4.635 838 HD2 ARG 103 1HD ARG 103 71.141 38.453 4.762 839 HD3 ARG 103 2HD ARG 103 71.976 36.913 4.960 840 HE ARG 103 HE ARG 103 71.877 36.581 2.655 841 HH11 ARG 103 1HH1 ARG 103 70.239 39.505 3.594 842 HH12 ARG 103 2HH1 ARG 103 70.165 40.137 1.983 843 HH21 ARG 103 1HH2 ARG 103 71.786 37.401 0.528 844 HH22 ARG 103 2HH2 ARG 103 71.044 38.938 0.239 845 H VAL 104 H VAL 104 68.348 34.919 5.820 846 HA VAL 104 HA VAL 104 68.170 32.817 3.938 847 HB VAL 104 HB VAL 104 68.768 31.326 5.779 848 HG11 VAL 104 1HG1 VAL 104 70.645 33.199 6.657 849 HG12 VAL 104 2HG1 VAL 104 70.817 32.058 5.322 850 HG13 VAL 104 3HG1 VAL 104 70.224 33.691 5.017 851 HG21 VAL 104 3HG2 VAL 104 67.567 31.982 7.643 852 HG22 VAL 104 1HG2 VAL 104 69.190 32.549 8.038 853 HG23 VAL 104 2HG2 VAL 104 67.980 33.684 7.440 854 H LEU 105 H LEU 105 66.122 33.787 6.651 855 HA LEU 105 HA LEU 105 64.381 31.555 6.536 856 HB2 LEU 105 1HB LEU 105 64.230 34.284 7.747 857 HB3 LEU 105 2HB LEU 105 62.802 33.251 7.719 858 HG LEU 105 HG LEU 105 65.430 32.530 9.015 859 HD11 LEU 105 1HD1 LEU 105 63.983 34.447 10.000 860 HD12 LEU 105 2HD1 LEU 105 64.576 33.169 11.061 861 HD13 LEU 105 3HD1 LEU 105 62.907 33.139 10.493 862 HD21 LEU 105 3HD2 LEU 105 63.309 30.916 8.174 863 HD22 LEU 105 1HD2 LEU 105 63.102 31.099 9.916 864 HD23 LEU 105 2HD2 LEU 105 64.621 30.477 9.269 865 H ALA 106 H ALA 106 64.037 34.888 5.324 866 HA ALA 106 HA ALA 106 61.547 34.648 4.135 867 HB1 ALA 106 1HB ALA 106 63.928 36.342 3.441 868 HB2 ALA 106 2HB ALA 106 62.403 36.461 2.564 869 HB3 ALA 106 3HB ALA 106 62.455 36.807 4.292 870 H ALA 107 H ALA 107 64.741 34.074 2.669 871 HA ALA 107 HA ALA 107 63.846 33.362 0.118 872 HB1 ALA 107 1HB ALA 107 66.096 33.710 0.114 873 HB2 ALA 107 2HB ALA 107 66.335 32.919 1.672 874 HB3 ALA 107 3HB ALA 107 66.086 31.950 0.220 875 H GLN 108 H GLN 108 64.461 31.352 2.977 876 HA GLN 108 HA GLN 108 64.063 28.847 1.869 877 HB2 GLN 108 1HB GLN 108 64.770 29.503 4.260 878 HB3 GLN 108 2HB GLN 108 63.047 29.555 4.610 879 HG2 GLN 108 1HG GLN 108 64.514 27.158 3.533 880 HG3 GLN 108 2HG GLN 108 64.105 27.420 5.227 881 HE21 GLN 108 2HE2 GLN 108 61.586 28.360 5.128 882 HE22 GLN 108 1HE2 GLN 108 60.523 27.183 4.442 883 H ALA 109 H ALA 109 61.643 31.017 3.313 884 HA ALA 109 HA ALA 109 59.435 29.310 2.804 885 HB1 ALA 109 1HB ALA 109 58.065 31.094 3.527 886 HB2 ALA 109 2HB ALA 109 59.542 31.192 4.488 887 HB3 ALA 109 3HB ALA 109 59.295 32.296 3.135 888 H TYR 110 H TYR 110 60.846 32.042 1.051 889 HA TYR 110 HA TYR 110 58.937 32.440 -0.896 890 HB2 TYR 110 1HB TYR 110 61.909 32.756 -0.834 891 HB3 TYR 110 2HB TYR 110 61.069 32.946 -2.369 892 HD1 TYR 110 HD2 TYR 110 58.639 34.332 -1.719 893 HD2 TYR 110 HD1 TYR 110 62.522 34.842 -0.056 894 HE1 TYR 110 HE2 TYR 110 58.074 36.652 -1.128 895 HE2 TYR 110 HE1 TYR 110 61.968 37.163 0.541 896 HH TYR 110 HH TYR 110 58.818 38.573 -0.296 897 H TRP 111 H TRP 111 61.542 30.043 -0.836 898 HA TRP 111 HA TRP 111 60.634 28.903 -3.355 899 HB2 TRP 111 1HB TRP 111 62.814 27.761 -1.626 900 HB3 TRP 111 2HB TRP 111 62.619 27.648 -3.373 901 HD1 TRP 111 HD1 TRP 111 65.062 28.993 -1.366 902 HE1 TRP 111 HE1 TRP 111 66.017 31.236 -2.190 903 HE3 TRP 111 HE3 TRP 111 61.307 30.351 -4.559 904 HZ2 TRP 111 HZ2 TRP 111 65.277 33.308 -3.959 905 HZ3 TRP 111 HZ3 TRP 111 61.508 32.478 -5.779 906 HH2 TRP 111 HH2 TRP 111 63.452 33.925 -5.483 907 H SER 112 H SER 112 60.267 28.405 0.023 908 HA SER 112 HA SER 112 59.294 26.768 1.281 909 HB2 SER 112 1HB SER 112 57.324 27.580 0.080 910 HB3 SER 112 2HB SER 112 57.659 26.475 -1.252 911 HG SER 112 HG SER 112 57.051 24.793 -0.036 912 H VAL 113 H VAL 113 61.655 25.932 0.019 913 HA VAL 113 HA VAL 113 61.584 23.580 -1.425 914 HB VAL 113 HB VAL 113 63.675 24.718 -1.010 915 HG11 VAL 113 1HG1 VAL 113 64.768 24.563 1.219 916 HG12 VAL 113 2HG1 VAL 113 63.312 25.561 1.209 917 HG13 VAL 113 3HG1 VAL 113 63.258 23.925 1.868 918 HG21 VAL 113 3HG2 VAL 113 65.090 22.805 -0.438 919 HG22 VAL 113 1HG2 VAL 113 63.685 21.957 0.207 920 HG23 VAL 113 2HG2 VAL 113 63.776 22.331 -1.514 921 H ASP 114 H ASP 114 60.960 24.103 1.967 922 HA ASP 114 HA ASP 114 60.060 21.336 2.199 923 HB2 ASP 114 1HB ASP 114 62.444 21.491 3.031 924 HB3 ASP 114 2HB ASP 114 61.852 22.563 4.298 925 H SER 115 H SER 115 57.965 21.692 2.595 926 HA SER 115 HA SER 115 56.922 23.944 3.929 927 HB2 SER 115 1HB SER 115 54.810 22.542 4.055 928 HB3 SER 115 2HB SER 115 55.482 22.759 2.439 929 HG SER 115 HG SER 115 56.132 20.517 4.030 930 H SER 116 H SER 116 57.447 24.389 5.975 931 HA SER 116 HA SER 116 56.593 22.626 8.070 932 HB2 SER 116 1HB SER 116 58.667 22.133 9.085 933 HB3 SER 116 2HB SER 116 58.929 21.810 7.371 934 HG SER 116 HG SER 116 60.392 23.307 7.361 935 H GLY 117 H GLY 117 56.816 23.612 10.213 936 HA2 GLY 117 1HA GLY 117 57.718 26.302 10.497 937 HA3 GLY 117 2HA GLY 117 55.972 26.237 10.314 938 H ARG 118 H ARG 118 58.655 24.969 12.251 939 HA ARG 118 HA ARG 118 57.049 23.913 14.323 940 HB2 ARG 118 1HB ARG 118 59.931 24.823 14.319 941 HB3 ARG 118 2HB ARG 118 59.168 23.972 15.656 942 HG2 ARG 118 1HG ARG 118 58.750 22.055 14.201 943 HG3 ARG 118 2HG ARG 118 59.515 22.909 12.860 944 HD2 ARG 118 1HD ARG 118 61.620 22.667 13.725 945 HD3 ARG 118 2HD ARG 118 61.044 22.612 15.391 946 HE ARG 118 HE ARG 118 61.365 20.389 13.587 947 HH11 ARG 118 1HH1 ARG 118 59.778 21.569 16.453 948 HH12 ARG 118 2HH1 ARG 118 59.492 19.988 17.103 949 HH21 ARG 118 1HH2 ARG 118 60.994 18.303 14.432 950 HH22 ARG 118 2HH2 ARG 118 60.185 18.132 15.953 951 H ILE 119 H ILE 119 57.685 24.827 16.691 952 HA ILE 119 HA ILE 119 56.136 27.106 17.071 953 HB ILE 119 HB ILE 119 57.219 27.221 19.346 954 HG12 ILE 119 1HG1 ILE 119 58.627 24.712 18.414 955 HG13 ILE 119 2HG1 ILE 119 59.412 26.279 18.580 956 HG21 ILE 119 1HG2 ILE 119 55.507 25.897 19.834 957 HG22 ILE 119 2HG2 ILE 119 55.526 25.228 18.203 958 HG23 ILE 119 3HG2 ILE 119 56.511 24.494 19.468 959 HD11 ILE 119 3HD1 ILE 119 59.698 25.987 20.756 960 HD12 ILE 119 1HD1 ILE 119 58.009 25.538 20.991 961 HD13 ILE 119 2HD1 ILE 119 59.189 24.316 20.514 962 H VAL 120 H VAL 120 56.532 29.252 17.168 963 HA VAL 120 HA VAL 120 59.318 30.151 16.838 964 HB VAL 120 HB VAL 120 56.936 31.417 15.481 965 HG11 VAL 120 1HG1 VAL 120 59.411 32.072 14.271 966 HG12 VAL 120 2HG1 VAL 120 58.290 33.138 15.121 967 HG13 VAL 120 3HG1 VAL 120 59.580 32.325 16.007 968 HG21 VAL 120 3HG2 VAL 120 58.881 29.348 14.556 969 HG22 VAL 120 1HG2 VAL 120 57.143 29.461 14.280 970 HG23 VAL 120 2HG2 VAL 120 58.245 30.523 13.404 971 H THR 121 H THR 121 56.022 31.189 17.686 972 HA THR 121 HA THR 121 56.812 33.549 19.029 973 HB THR 121 HB THR 121 54.303 32.039 19.712 974 HG1 THR 121 HG1 THR 121 53.719 32.187 17.691 975 HG21 THR 121 3HG2 THR 121 53.627 34.639 19.410 976 HG22 THR 121 1HG2 THR 121 55.305 34.806 19.924 977 HG23 THR 121 2HG2 THR 121 54.154 33.935 20.938 978 H LEU 122 H LEU 122 56.690 30.222 19.980 979 HA LEU 122 HA LEU 122 56.477 30.463 22.752 980 HB2 LEU 122 1HB LEU 122 57.596 28.450 20.883 981 HB3 LEU 122 2HB LEU 122 58.059 28.327 22.579 982 HG LEU 122 HG LEU 122 56.143 26.881 21.944 983 HD11 LEU 122 1HD1 LEU 122 54.689 27.580 23.840 984 HD12 LEU 122 2HD1 LEU 122 55.654 29.050 23.976 985 HD13 LEU 122 3HD1 LEU 122 56.403 27.476 24.245 986 HD21 LEU 122 3HD2 LEU 122 54.532 29.409 21.748 987 HD22 LEU 122 1HD2 LEU 122 54.047 27.761 21.349 988 HD23 LEU 122 2HD2 LEU 122 55.209 28.611 20.328 Start of MODEL 7 1 H1 GLY 1 H GLY 1 81.520 -58.302 21.331 2 HA2 GLY 1 1HA GLY 1 79.602 -56.950 22.674 3 HA3 GLY 1 2HA GLY 1 80.852 -57.142 23.894 4 H SER 2 H SER 2 80.434 -56.053 20.531 5 HA SER 2 HA SER 2 81.836 -53.603 21.108 6 HB2 SER 2 1HB SER 2 83.638 -55.349 20.634 7 HB3 SER 2 2HB SER 2 83.028 -55.382 18.980 8 HG SER 2 HG SER 2 84.532 -53.847 18.877 9 HA PRO 3 HA PRO 3 78.539 -53.422 17.837 10 HB2 PRO 3 1HB PRO 3 77.210 -51.338 18.959 11 HB3 PRO 3 2HB PRO 3 76.900 -53.022 19.397 12 HG2 PRO 3 1HG PRO 3 78.563 -50.973 20.810 13 HG3 PRO 3 2HG PRO 3 77.422 -52.149 21.488 14 HD2 PRO 3 1HD PRO 3 80.102 -52.533 21.520 15 HD3 PRO 3 2HD PRO 3 78.947 -53.875 21.386 16 H PHE 4 H PHE 4 79.985 -52.659 16.289 17 HA PHE 4 HA PHE 4 81.063 -49.984 16.487 18 HB2 PHE 4 1HB PHE 4 82.262 -51.970 15.439 19 HB3 PHE 4 2HB PHE 4 81.159 -51.798 14.078 20 HD1 PHE 4 HD2 PHE 4 83.351 -49.601 16.156 21 HD2 PHE 4 HD1 PHE 4 81.969 -50.656 12.272 22 HE1 PHE 4 HE2 PHE 4 84.840 -47.909 15.171 23 HE2 PHE 4 HE1 PHE 4 83.456 -48.966 11.279 24 HZ PHE 4 HZ PHE 4 84.893 -47.589 12.729 25 H ALA 5 H ALA 5 78.552 -49.450 16.671 26 HA ALA 5 HA ALA 5 77.525 -48.863 13.978 27 HB1 ALA 5 1HB ALA 5 75.588 -48.265 15.962 28 HB2 ALA 5 2HB ALA 5 75.558 -49.541 14.743 29 HB3 ALA 5 3HB ALA 5 76.272 -49.850 16.326 30 H ASP 6 H ASP 6 77.310 -46.816 13.292 31 HA ASP 6 HA ASP 6 77.961 -44.671 15.202 32 HB2 ASP 6 1HB ASP 6 78.166 -44.213 12.266 33 HB3 ASP 6 2HB ASP 6 79.149 -43.566 13.576 34 HA PRO 7 HA PRO 7 74.046 -42.785 14.604 35 HB2 PRO 7 1HB PRO 7 74.684 -40.148 14.706 36 HB3 PRO 7 2HB PRO 7 74.702 -41.197 16.129 37 HG2 PRO 7 1HG PRO 7 76.982 -40.298 14.410 38 HG3 PRO 7 2HG PRO 7 76.890 -40.411 16.177 39 HD2 PRO 7 1HD PRO 7 78.114 -42.290 14.659 40 HD3 PRO 7 2HD PRO 7 77.284 -42.682 16.179 41 H ASN 8 H ASN 8 73.562 -43.414 12.468 42 HA ASN 8 HA ASN 8 74.574 -41.959 10.213 43 HB2 ASN 8 1HB ASN 8 73.930 -44.323 10.023 44 HB3 ASN 8 2HB ASN 8 72.262 -43.904 10.403 45 HD21 ASN 8 2HD2 ASN 8 70.943 -43.412 8.789 46 HD22 ASN 8 1HD2 ASN 8 71.425 -43.112 7.157 47 H SER 9 H SER 9 74.027 -39.859 10.105 48 HA SER 9 HA SER 9 71.369 -39.131 9.436 49 HB2 SER 9 1HB SER 9 71.126 -39.343 11.910 50 HB3 SER 9 2HB SER 9 72.357 -38.095 12.104 51 HG SER 9 HG SER 9 69.730 -37.881 11.152 52 H LEU 10 H LEU 10 71.543 -37.504 8.048 53 HA LEU 10 HA LEU 10 73.595 -35.459 8.464 54 HB2 LEU 10 1HB LEU 10 74.432 -37.257 6.908 55 HB3 LEU 10 2HB LEU 10 73.161 -36.768 5.788 56 HG LEU 10 HG LEU 10 75.081 -34.703 6.749 57 HD11 LEU 10 1HD1 LEU 10 76.150 -37.003 5.855 58 HD12 LEU 10 2HD1 LEU 10 76.864 -35.416 5.571 59 HD13 LEU 10 3HD1 LEU 10 75.874 -36.174 4.323 60 HD21 LEU 10 3HD2 LEU 10 74.006 -33.532 5.204 61 HD22 LEU 10 1HD2 LEU 10 73.033 -34.943 4.788 62 HD23 LEU 10 2HD2 LEU 10 74.567 -34.656 3.965 63 H ALA 11 H ALA 11 72.405 -33.676 8.670 64 HA ALA 11 HA ALA 11 70.214 -33.232 6.748 65 HB1 ALA 11 1HB ALA 11 70.017 -33.299 9.475 66 HB2 ALA 11 2HB ALA 11 70.175 -31.572 9.151 67 HB3 ALA 11 3HB ALA 11 68.882 -32.497 8.388 68 H LEU 12 H LEU 12 71.196 -32.084 5.158 69 HA LEU 12 HA LEU 12 72.388 -29.511 5.943 70 HB2 LEU 12 1HB LEU 12 73.451 -31.619 4.146 71 HB3 LEU 12 2HB LEU 12 73.703 -29.941 3.672 72 HG LEU 12 HG LEU 12 74.521 -30.962 6.377 73 HD11 LEU 12 1HD1 LEU 12 75.543 -32.299 4.486 74 HD12 LEU 12 2HD1 LEU 12 76.672 -31.496 5.576 75 HD13 LEU 12 3HD1 LEU 12 76.339 -30.806 3.988 76 HD21 LEU 12 3HD2 LEU 12 74.595 -28.658 6.424 77 HD22 LEU 12 1HD2 LEU 12 75.034 -28.530 4.721 78 HD23 LEU 12 2HD2 LEU 12 76.233 -29.056 5.903 79 H ALA 13 H ALA 13 70.360 -28.532 5.539 80 HA ALA 13 HA ALA 13 69.781 -28.209 2.671 81 HB1 ALA 13 1HB ALA 13 67.366 -28.004 3.278 82 HB2 ALA 13 2HB ALA 13 68.043 -29.617 3.503 83 HB3 ALA 13 3HB ALA 13 67.783 -28.569 4.897 84 H ASN 14 H ASN 14 70.530 -26.208 2.287 85 HA ASN 14 HA ASN 14 69.922 -24.074 4.208 86 HB2 ASN 14 1HB ASN 14 71.998 -24.409 2.069 87 HB3 ASN 14 2HB ASN 14 71.556 -22.794 2.613 88 HD21 ASN 14 2HD2 ASN 14 73.123 -22.103 3.877 89 HD22 ASN 14 1HD2 ASN 14 73.839 -22.986 5.179 90 H VAL 15 H VAL 15 68.715 -22.312 3.671 91 HA VAL 15 HA VAL 15 67.408 -22.382 1.031 92 HB VAL 15 HB VAL 15 65.599 -21.014 2.183 93 HG11 VAL 15 1HG1 VAL 15 65.342 -23.380 1.592 94 HG12 VAL 15 2HG1 VAL 15 66.042 -23.839 3.145 95 HG13 VAL 15 3HG1 VAL 15 64.499 -22.986 3.090 96 HG21 VAL 15 3HG2 VAL 15 66.485 -22.182 4.763 97 HG22 VAL 15 1HG2 VAL 15 67.301 -20.723 4.201 98 HG23 VAL 15 2HG2 VAL 15 65.554 -20.719 4.441 99 HA PRO 16 HA PRO 16 69.002 -18.413 0.038 100 HB2 PRO 16 1HB PRO 16 66.957 -17.370 -1.412 101 HB3 PRO 16 2HB PRO 16 68.005 -18.658 -2.018 102 HG2 PRO 16 1HG PRO 16 65.271 -18.849 -0.815 103 HG3 PRO 16 2HG PRO 16 65.932 -19.689 -2.230 104 HD2 PRO 16 1HD PRO 16 65.724 -20.868 0.199 105 HD3 PRO 16 2HD PRO 16 67.026 -21.259 -0.944 106 H LEU 17 H LEU 17 68.803 -16.158 0.447 107 HA LEU 17 HA LEU 17 66.549 -15.065 1.815 108 HB2 LEU 17 1HB LEU 17 67.367 -14.820 3.974 109 HB3 LEU 17 2HB LEU 17 67.787 -16.478 3.550 110 HG LEU 17 HG LEU 17 69.706 -14.152 3.453 111 HD11 LEU 17 1HD1 LEU 17 70.638 -14.987 5.502 112 HD12 LEU 17 2HD1 LEU 17 69.492 -16.327 5.528 113 HD13 LEU 17 3HD1 LEU 17 68.919 -14.673 5.746 114 HD21 LEU 17 3HD2 LEU 17 70.353 -15.889 1.934 115 HD22 LEU 17 1HD2 LEU 17 70.067 -17.130 3.155 116 HD23 LEU 17 2HD2 LEU 17 71.391 -15.982 3.358 117 H SER 18 H SER 18 66.575 -12.855 1.806 118 HA SER 18 HA SER 18 68.965 -11.603 0.624 119 HB2 SER 18 1HB SER 18 66.041 -11.166 0.227 120 HB3 SER 18 2HB SER 18 67.110 -9.770 0.091 121 HG SER 18 HG SER 18 68.023 -10.611 -1.657 122 H ARG 19 H ARG 19 69.908 -9.901 1.613 123 HA ARG 19 HA ARG 19 68.562 -8.377 3.649 124 HB2 ARG 19 1HB ARG 19 69.240 -10.382 4.914 125 HB3 ARG 19 2HB ARG 19 70.909 -10.118 4.426 126 HG2 ARG 19 1HG ARG 19 70.815 -7.908 5.587 127 HG3 ARG 19 2HG ARG 19 69.228 -8.371 6.206 128 HD2 ARG 19 1HD ARG 19 70.101 -10.062 7.535 129 HD3 ARG 19 2HD ARG 19 71.586 -10.172 6.591 130 HE ARG 19 HE ARG 19 71.592 -7.653 7.696 131 HH11 ARG 19 1HH1 ARG 19 71.487 -10.926 8.877 132 HH12 ARG 19 2HH1 ARG 19 72.309 -10.557 10.357 133 HH21 ARG 19 1HH2 ARG 19 72.674 -7.154 9.641 134 HH22 ARG 19 2HH2 ARG 19 72.983 -8.411 10.791 135 H SER 20 H SER 20 69.346 -6.361 3.686 136 HA SER 20 HA SER 20 72.086 -5.710 3.305 137 HB2 SER 20 1HB SER 20 71.222 -6.278 0.940 138 HB3 SER 20 2HB SER 20 70.323 -4.765 1.052 139 HG SER 20 HG SER 20 73.134 -5.060 1.331 140 H LYS 21 H LYS 21 72.205 -4.176 4.801 141 HA LYS 21 HA LYS 21 70.538 -1.808 4.536 142 HB2 LYS 21 1HB LYS 21 69.910 -1.799 6.910 143 HB3 LYS 21 2HB LYS 21 69.250 -3.197 6.073 144 HG2 LYS 21 1HG LYS 21 71.028 -4.594 6.995 145 HG3 LYS 21 2HG LYS 21 71.695 -3.190 7.833 146 HD2 LYS 21 1HD LYS 21 69.874 -3.050 9.291 147 HD3 LYS 21 2HD LYS 21 68.847 -4.039 8.251 148 HE2 LYS 21 1HE LYS 21 70.239 -5.994 8.748 149 HE3 LYS 21 2HE LYS 21 71.258 -5.002 9.790 150 HZ1 LYS 21 3HZ LYS 21 69.160 -4.520 11.077 151 HZ2 LYS 21 1HZ LYS 21 69.763 -6.096 11.204 152 HZ3 LYS 21 2HZ LYS 21 68.433 -5.777 10.210 153 H ARG 22 H ARG 22 71.484 0.052 5.338 154 HA ARG 22 HA ARG 22 74.257 -0.262 6.282 155 HB2 ARG 22 1HB ARG 22 72.966 1.655 4.404 156 HB3 ARG 22 2HB ARG 22 74.285 2.250 5.402 157 HG2 ARG 22 1HG ARG 22 75.389 1.579 3.502 158 HG3 ARG 22 2HG ARG 22 75.543 0.152 4.529 159 HD2 ARG 22 1HD ARG 22 74.917 -0.599 2.359 160 HD3 ARG 22 2HD ARG 22 73.506 -0.769 3.403 161 HE ARG 22 HE ARG 22 72.406 0.718 2.070 162 HH11 ARG 22 1HH1 ARG 22 75.830 1.075 1.550 163 HH12 ARG 22 2HH1 ARG 22 75.647 2.205 0.249 164 HH21 ARG 22 1HH2 ARG 22 72.152 2.206 0.359 165 HH22 ARG 22 2HH2 ARG 22 73.555 2.849 -0.426 166 HA PRO 23 HA PRO 23 73.386 1.897 9.999 167 HB2 PRO 23 1HB PRO 23 75.595 3.445 10.312 168 HB3 PRO 23 2HB PRO 23 75.612 1.691 10.531 169 HG2 PRO 23 1HG PRO 23 76.463 3.313 8.163 170 HG3 PRO 23 2HG PRO 23 77.259 1.913 8.905 171 HD2 PRO 23 1HD PRO 23 75.757 1.715 6.661 172 HD3 PRO 23 2HD PRO 23 75.866 0.406 7.855 173 H ASP 24 H ASP 24 73.119 4.054 10.992 174 HA ASP 24 HA ASP 24 71.999 5.907 9.055 175 HB2 ASP 24 1HB ASP 24 70.567 5.554 10.889 176 HB3 ASP 24 2HB ASP 24 71.882 5.685 12.054 177 H PHE 25 H PHE 25 73.626 7.016 8.077 178 HA PHE 25 HA PHE 25 75.730 8.220 9.688 179 HB2 PHE 25 1HB PHE 25 75.967 7.097 7.328 180 HB3 PHE 25 2HB PHE 25 75.438 8.670 6.740 181 HD1 PHE 25 HD1 PHE 25 78.034 6.964 8.748 182 HD2 PHE 25 HD2 PHE 25 76.924 10.478 6.619 183 HE1 PHE 25 HE1 PHE 25 80.340 7.803 8.938 184 HE2 PHE 25 HE2 PHE 25 79.228 11.322 6.804 185 HZ PHE 25 HZ PHE 25 80.939 9.984 7.963 186 H GLY 26 H GLY 26 73.345 9.281 10.415 187 HA2 GLY 26 1HA GLY 26 73.222 11.886 9.035 188 HA3 GLY 26 2HA GLY 26 71.904 11.177 9.957 189 H GLN 27 H GLN 27 75.338 11.576 10.776 190 HA GLN 27 HA GLN 27 74.506 13.287 13.025 191 HB2 GLN 27 1HB GLN 27 75.303 10.808 13.467 192 HB3 GLN 27 2HB GLN 27 76.900 11.519 13.277 193 HG2 GLN 27 1HG GLN 27 76.306 13.166 15.043 194 HG3 GLN 27 2HG GLN 27 74.803 12.280 15.293 195 HE21 GLN 27 2HE2 GLN 27 75.151 9.867 15.640 196 HE22 GLN 27 1HE2 GLN 27 76.428 9.432 16.719 197 H ARG 28 H ARG 28 75.559 13.905 10.312 198 HA ARG 28 HA ARG 28 78.225 14.937 10.834 199 HB2 ARG 28 1HB ARG 28 77.411 13.896 8.620 200 HB3 ARG 28 2HB ARG 28 76.606 15.436 8.349 201 HG2 ARG 28 1HG ARG 28 78.619 16.600 8.194 202 HG3 ARG 28 2HG ARG 28 79.531 15.307 8.975 203 HD2 ARG 28 1HD ARG 28 80.029 15.303 6.623 204 HD3 ARG 28 2HD ARG 28 79.081 13.868 7.009 205 HE ARG 28 HE ARG 28 77.495 16.089 6.109 206 HH11 ARG 28 1HH1 ARG 28 79.387 13.337 5.124 207 HH12 ARG 28 2HH1 ARG 28 78.582 13.165 3.599 208 HH21 ARG 28 1HH2 ARG 28 76.428 15.873 4.105 209 HH22 ARG 28 2HH2 ARG 28 76.900 14.609 3.020 210 H ARG 29 H ARG 29 77.000 16.225 12.628 211 HA ARG 29 HA ARG 29 75.809 18.681 11.595 212 HB2 ARG 29 1HB ARG 29 75.287 19.176 13.938 213 HB3 ARG 29 2HB ARG 29 74.703 17.583 13.478 214 HG2 ARG 29 1HG ARG 29 76.418 16.498 14.680 215 HG3 ARG 29 2HG ARG 29 77.320 18.000 14.888 216 HD2 ARG 29 1HD ARG 29 75.829 18.818 16.479 217 HD3 ARG 29 2HD ARG 29 74.549 17.711 15.985 218 HE ARG 29 HE ARG 29 76.790 16.295 16.998 219 HH11 ARG 29 1HH1 ARG 29 74.046 18.199 17.979 220 HH12 ARG 29 2HH1 ARG 29 73.920 17.453 19.537 221 HH21 ARG 29 1HH2 ARG 29 76.635 15.305 19.047 222 HH22 ARG 29 2HH2 ARG 29 75.394 15.807 20.144 223 H ILE 30 H ILE 30 78.481 18.405 10.925 224 HA ILE 30 HA ILE 30 80.129 19.825 12.811 225 HB ILE 30 HB ILE 30 80.560 18.821 10.016 226 HG12 ILE 30 1HG1 ILE 30 82.428 17.608 11.188 227 HG13 ILE 30 2HG1 ILE 30 81.825 18.266 12.705 228 HG21 ILE 30 1HG2 ILE 30 82.966 19.674 10.396 229 HG22 ILE 30 2HG2 ILE 30 81.739 20.814 9.846 230 HG23 ILE 30 3HG2 ILE 30 82.222 20.788 11.542 231 HD11 ILE 30 3HD1 ILE 30 81.116 15.929 12.199 232 HD12 ILE 30 1HD1 ILE 30 79.796 17.053 12.514 233 HD13 ILE 30 2HD1 ILE 30 80.169 16.573 10.858 234 H ARG 31 H ARG 31 79.592 21.898 13.168 235 HA ARG 31 HA ARG 31 79.144 23.630 10.828 236 HB2 ARG 31 1HB ARG 31 78.246 24.030 13.688 237 HB3 ARG 31 2HB ARG 31 77.950 25.145 12.360 238 HG2 ARG 31 1HG ARG 31 76.324 23.846 11.443 239 HG3 ARG 31 2HG ARG 31 77.037 22.343 12.034 240 HD2 ARG 31 1HD ARG 31 75.773 24.370 13.861 241 HD3 ARG 31 2HD ARG 31 74.853 23.070 13.105 242 HE ARG 31 HE ARG 31 76.952 21.809 14.309 243 HH11 ARG 31 1HH1 ARG 31 74.446 23.978 15.374 244 HH12 ARG 31 2HH1 ARG 31 74.387 23.330 16.980 245 HH21 ARG 31 1HH2 ARG 31 76.883 20.947 16.419 246 HH22 ARG 31 2HH2 ARG 31 75.775 21.606 17.573 247 H ARG 32 H ARG 32 81.380 23.972 10.490 248 HA ARG 32 HA ARG 32 83.157 24.878 12.486 249 HB2 ARG 32 1HB ARG 32 83.167 24.717 9.525 250 HB3 ARG 32 2HB ARG 32 84.287 25.860 10.253 251 HG2 ARG 32 1HG ARG 32 84.787 23.708 11.775 252 HG3 ARG 32 2HG ARG 32 84.299 22.915 10.276 253 HD2 ARG 32 1HD ARG 32 86.074 23.758 9.091 254 HD3 ARG 32 2HD ARG 32 86.234 25.173 10.132 255 HE ARG 32 HE ARG 32 86.932 23.163 11.777 256 HH11 ARG 32 1HH1 ARG 32 87.931 24.015 8.553 257 HH12 ARG 32 2HH1 ARG 32 89.527 23.366 8.735 258 HH21 ARG 32 1HH2 ARG 32 89.030 22.304 12.029 259 HH22 ARG 32 2HH2 ARG 32 90.150 22.392 10.713 260 HA PRO 33 HA PRO 33 82.298 29.157 12.928 261 HB2 PRO 33 1HB PRO 33 84.782 30.244 13.065 262 HB3 PRO 33 2HB PRO 33 84.086 29.271 14.367 263 HG2 PRO 33 1HG PRO 33 86.024 28.468 12.231 264 HG3 PRO 33 2HG PRO 33 86.033 28.068 13.958 265 HD2 PRO 33 1HD PRO 33 85.150 26.342 12.067 266 HD3 PRO 33 2HD PRO 33 84.471 26.392 13.707 267 H PHE 34 H PHE 34 81.491 30.436 11.397 268 HA PHE 34 HA PHE 34 83.129 30.980 9.009 269 HB2 PHE 34 1HB PHE 34 80.757 31.555 8.032 270 HB3 PHE 34 2HB PHE 34 81.302 29.883 8.113 271 HD1 PHE 34 HD1 PHE 34 79.731 32.264 10.524 272 HD2 PHE 34 HD2 PHE 34 79.614 28.440 8.659 273 HE1 PHE 34 HE1 PHE 34 77.738 31.684 11.846 274 HE2 PHE 34 HE2 PHE 34 77.621 27.854 9.976 275 HZ PHE 34 HZ PHE 34 76.680 29.477 11.572 276 H THR 35 H THR 35 82.679 33.101 7.972 277 HA THR 35 HA THR 35 82.379 35.161 10.043 278 HB THR 35 HB THR 35 83.454 35.734 7.305 279 HG1 THR 35 HG1 THR 35 85.226 34.648 7.699 280 HG21 THR 35 3HG2 THR 35 83.736 36.899 10.056 281 HG22 THR 35 1HG2 THR 35 83.211 37.686 8.569 282 HG23 THR 35 2HG2 THR 35 84.908 37.260 8.790 283 H VAL 36 H VAL 36 81.225 37.114 9.548 284 HA VAL 36 HA VAL 36 78.675 36.766 8.561 285 HB VAL 36 HB VAL 36 79.224 38.660 9.962 286 HG11 VAL 36 1HG1 VAL 36 80.551 40.513 9.233 287 HG12 VAL 36 2HG1 VAL 36 81.489 39.040 8.983 288 HG13 VAL 36 3HG1 VAL 36 80.707 39.832 7.615 289 HG21 VAL 36 3HG2 VAL 36 77.650 38.780 7.624 290 HG22 VAL 36 1HG2 VAL 36 77.466 39.714 9.109 291 HG23 VAL 36 2HG2 VAL 36 78.449 40.344 7.787 292 H ALA 37 H ALA 37 81.566 37.855 6.861 293 HA ALA 37 HA ALA 37 80.238 38.538 4.439 294 HB1 ALA 37 1HB ALA 37 82.350 38.937 3.544 295 HB2 ALA 37 2HB ALA 37 82.560 39.274 5.263 296 HB3 ALA 37 3HB ALA 37 83.123 37.745 4.589 297 H GLU 38 H GLU 38 82.126 35.695 5.449 298 HA GLU 38 HA GLU 38 81.908 34.256 3.061 299 HB2 GLU 38 1HB GLU 38 83.461 33.678 4.894 300 HB3 GLU 38 2HB GLU 38 82.096 33.165 5.875 301 HG2 GLU 38 1HG GLU 38 81.631 31.614 3.793 302 HG3 GLU 38 2HG GLU 38 83.360 31.844 3.538 303 H VAL 39 H VAL 39 79.818 34.305 5.920 304 HA VAL 39 HA VAL 39 78.037 32.291 5.045 305 HB VAL 39 HB VAL 39 77.540 34.569 6.966 306 HG11 VAL 39 1HG1 VAL 39 75.416 33.913 6.948 307 HG12 VAL 39 2HG1 VAL 39 75.787 32.549 5.891 308 HG13 VAL 39 3HG1 VAL 39 75.949 32.380 7.639 309 HG21 VAL 39 3HG2 VAL 39 79.418 32.929 7.472 310 HG22 VAL 39 1HG2 VAL 39 78.173 33.116 8.707 311 HG23 VAL 39 2HG2 VAL 39 78.159 31.707 7.646 312 H GLU 40 H GLU 40 78.032 35.811 4.708 313 HA GLU 40 HA GLU 40 75.482 36.141 3.633 314 HB2 GLU 40 1HB GLU 40 78.037 37.681 3.447 315 HB3 GLU 40 2HB GLU 40 76.696 38.132 2.403 316 HG2 GLU 40 1HG GLU 40 75.310 38.648 4.238 317 HG3 GLU 40 2HG GLU 40 76.407 37.872 5.379 318 H LEU 41 H LEU 41 78.575 35.711 1.917 319 HA LEU 41 HA LEU 41 77.504 35.678 -0.674 320 HB2 LEU 41 1HB LEU 41 79.966 34.249 0.318 321 HB3 LEU 41 2HB LEU 41 79.601 34.666 -1.355 322 HG LEU 41 HG LEU 41 79.903 36.789 0.745 323 HD11 LEU 41 1HD1 LEU 41 81.996 35.974 1.025 324 HD12 LEU 41 2HD1 LEU 41 82.281 36.879 -0.461 325 HD13 LEU 41 3HD1 LEU 41 82.002 35.139 -0.528 326 HD21 LEU 41 3HD2 LEU 41 79.261 36.752 -2.003 327 HD22 LEU 41 1HD2 LEU 41 80.881 37.434 -1.857 328 HD23 LEU 41 2HD2 LEU 41 79.539 38.152 -0.966 329 H LEU 42 H LEU 42 78.279 33.003 1.535 330 HA LEU 42 HA LEU 42 77.612 30.880 -0.125 331 HB2 LEU 42 1HB LEU 42 78.645 30.227 1.818 332 HB3 LEU 42 2HB LEU 42 77.662 31.290 2.823 333 HG LEU 42 HG LEU 42 75.769 29.752 2.591 334 HD11 LEU 42 1HD1 LEU 42 75.880 27.715 1.442 335 HD12 LEU 42 2HD1 LEU 42 77.631 27.815 1.254 336 HD13 LEU 42 3HD1 LEU 42 76.583 28.893 0.333 337 HD21 LEU 42 3HD2 LEU 42 76.496 28.656 4.385 338 HD22 LEU 42 1HD2 LEU 42 78.073 29.393 4.100 339 HD23 LEU 42 2HD2 LEU 42 77.717 27.794 3.447 340 H VAL 43 H VAL 43 75.521 32.258 2.420 341 HA VAL 43 HA VAL 43 73.190 30.924 1.743 342 HB VAL 43 HB VAL 43 73.338 33.740 2.825 343 HG11 VAL 43 1HG1 VAL 43 71.150 33.561 3.421 344 HG12 VAL 43 2HG1 VAL 43 71.124 32.512 2.002 345 HG13 VAL 43 3HG1 VAL 43 71.231 31.811 3.617 346 HG21 VAL 43 3HG2 VAL 43 74.322 31.324 3.945 347 HG22 VAL 43 1HG2 VAL 43 74.244 32.926 4.680 348 HG23 VAL 43 2HG2 VAL 43 72.893 31.807 4.859 349 H GLU 44 H GLU 44 74.321 34.100 0.613 350 HA GLU 44 HA GLU 44 72.110 34.701 -1.002 351 HB2 GLU 44 1HB GLU 44 73.962 36.272 -0.286 352 HB3 GLU 44 2HB GLU 44 74.954 35.552 -1.547 353 HG2 GLU 44 1HG GLU 44 73.479 36.327 -3.252 354 HG3 GLU 44 2HG GLU 44 72.297 36.862 -2.059 355 H ALA 45 H ALA 45 74.815 32.594 -1.498 356 HA ALA 45 HA ALA 45 74.576 32.427 -4.348 357 HB1 ALA 45 1HB ALA 45 76.338 31.413 -2.325 358 HB2 ALA 45 2HB ALA 45 75.851 30.111 -3.411 359 HB3 ALA 45 3HB ALA 45 76.602 31.567 -4.062 360 H VAL 46 H VAL 46 73.634 30.310 -1.647 361 HA VAL 46 HA VAL 46 72.355 28.389 -3.328 362 HB VAL 46 HB VAL 46 73.170 27.647 -1.201 363 HG11 VAL 46 1HG1 VAL 46 73.118 29.659 0.079 364 HG12 VAL 46 2HG1 VAL 46 71.359 29.750 -0.028 365 HG13 VAL 46 3HG1 VAL 46 72.122 28.471 0.918 366 HG21 VAL 46 3HG2 VAL 46 70.370 27.484 -0.427 367 HG22 VAL 46 1HG2 VAL 46 70.629 27.133 -2.135 368 HG23 VAL 46 2HG2 VAL 46 71.487 26.207 -0.904 369 H GLU 47 H GLU 47 71.313 31.244 -1.582 370 HA GLU 47 HA GLU 47 68.519 30.761 -1.822 371 HB2 GLU 47 1HB GLU 47 68.217 32.811 -0.809 372 HB3 GLU 47 2HB GLU 47 69.833 32.395 -0.255 373 HG2 GLU 47 1HG GLU 47 70.140 34.564 -0.893 374 HG3 GLU 47 2HG GLU 47 70.585 33.719 -2.375 375 H HIS 48 H HIS 48 70.931 32.215 -3.871 376 HA HIS 48 HA HIS 48 69.145 33.577 -5.614 377 HB2 HIS 48 1HB HIS 48 71.591 34.072 -5.395 378 HB3 HIS 48 2HB HIS 48 71.924 32.565 -6.243 379 HD1 HIS 48 HD1 HIS 48 70.803 32.460 -8.746 380 HD2 HIS 48 HD2 HIS 48 71.310 36.212 -7.034 381 HE1 HIS 48 HE1 HIS 48 70.680 34.093 -10.655 382 H LEU 49 H LEU 49 70.326 30.307 -5.413 383 HA LEU 49 HA LEU 49 69.013 29.657 -7.962 384 HB2 LEU 49 1HB LEU 49 70.846 27.863 -6.398 385 HB3 LEU 49 2HB LEU 49 70.357 27.716 -8.084 386 HG LEU 49 HG LEU 49 71.967 30.075 -7.190 387 HD11 LEU 49 1HD1 LEU 49 73.515 28.612 -6.441 388 HD12 LEU 49 2HD1 LEU 49 73.878 28.467 -8.161 389 HD13 LEU 49 3HD1 LEU 49 72.856 27.266 -7.371 390 HD21 LEU 49 3HD2 LEU 49 71.338 28.666 -9.742 391 HD22 LEU 49 1HD2 LEU 49 72.854 29.556 -9.598 392 HD23 LEU 49 2HD2 LEU 49 71.317 30.391 -9.371 393 H GLY 50 H GLY 50 68.334 29.729 -4.766 394 HA2 GLY 50 1HA GLY 50 66.810 28.671 -3.410 395 HA3 GLY 50 2HA GLY 50 65.956 28.323 -4.906 396 H THR 51 H THR 51 65.756 26.262 -5.511 397 HA THR 51 HA THR 51 67.216 24.246 -3.956 398 HB THR 51 HB THR 51 64.963 23.504 -5.768 399 HG1 THR 51 HG1 THR 51 63.469 24.382 -4.492 400 HG21 THR 51 3HG2 THR 51 66.015 22.569 -3.105 401 HG22 THR 51 1HG2 THR 51 65.996 21.695 -4.636 402 HG23 THR 51 2HG2 THR 51 64.487 22.004 -3.779 403 H GLY 52 H GLY 52 68.815 25.369 -5.816 404 HA2 GLY 52 1HA GLY 52 68.709 23.853 -8.286 405 HA3 GLY 52 2HA GLY 52 69.916 25.052 -7.846 406 H ARG 53 H ARG 53 71.832 24.082 -8.009 407 HA ARG 53 HA ARG 53 72.152 21.443 -6.736 408 HB2 ARG 53 1HB ARG 53 73.156 22.542 -9.299 409 HB3 ARG 53 2HB ARG 53 74.280 21.549 -8.382 410 HG2 ARG 53 1HG ARG 53 73.204 20.081 -9.857 411 HG3 ARG 53 2HG ARG 53 72.442 19.806 -8.289 412 HD2 ARG 53 1HD ARG 53 70.496 20.950 -8.906 413 HD3 ARG 53 2HD ARG 53 71.287 21.738 -10.270 414 HE ARG 53 HE ARG 53 70.791 19.915 -11.553 415 HH11 ARG 53 1HH1 ARG 53 70.524 19.035 -8.195 416 HH12 ARG 53 2HH1 ARG 53 69.873 17.463 -8.524 417 HH21 ARG 53 1HH2 ARG 53 69.935 17.848 -11.999 418 HH22 ARG 53 2HH2 ARG 53 69.540 16.789 -10.688 419 H TRP 54 H TRP 54 73.886 21.109 -5.387 420 HA TRP 54 HA TRP 54 74.841 23.209 -3.865 421 HB2 TRP 54 1HB TRP 54 76.740 21.502 -3.301 422 HB3 TRP 54 2HB TRP 54 75.077 21.138 -2.849 423 HD1 TRP 54 HD1 TRP 54 77.497 20.339 -5.780 424 HE1 TRP 54 HE1 TRP 54 76.976 17.956 -6.604 425 HE3 TRP 54 HE3 TRP 54 73.524 19.280 -2.743 426 HZ2 TRP 54 HZ2 TRP 54 75.125 15.901 -6.041 427 HZ3 TRP 54 HZ3 TRP 54 72.434 17.084 -2.949 428 HH2 TRP 54 HH2 TRP 54 73.219 15.431 -4.565 429 H ARG 55 H ARG 55 76.198 21.775 -6.774 430 HA ARG 55 HA ARG 55 78.698 23.124 -6.644 431 HB2 ARG 55 1HB ARG 55 79.091 22.297 -8.835 432 HB3 ARG 55 2HB ARG 55 78.181 21.049 -7.994 433 HG2 ARG 55 1HG ARG 55 76.113 21.955 -9.080 434 HG3 ARG 55 2HG ARG 55 77.163 22.990 -10.051 435 HD2 ARG 55 1HD ARG 55 76.864 21.167 -11.438 436 HD3 ARG 55 2HD ARG 55 78.380 20.771 -10.629 437 HE ARG 55 HE ARG 55 76.065 19.716 -9.298 438 HH11 ARG 55 1HH1 ARG 55 78.400 19.177 -11.824 439 HH12 ARG 55 2HH1 ARG 55 78.211 17.455 -11.810 440 HH21 ARG 55 1HH2 ARG 55 75.807 17.450 -9.271 441 HH22 ARG 55 2HH2 ARG 55 76.735 16.474 -10.359 442 H ASP 56 H ASP 56 75.539 23.973 -7.817 443 HA ASP 56 HA ASP 56 76.346 26.145 -9.472 444 HB2 ASP 56 1HB ASP 56 73.681 25.601 -8.145 445 HB3 ASP 56 2HB ASP 56 73.964 26.787 -9.416 446 H VAL 57 H VAL 57 75.308 25.866 -6.105 447 HA VAL 57 HA VAL 57 75.330 28.680 -5.610 448 HB VAL 57 HB VAL 57 74.692 28.202 -3.461 449 HG11 VAL 57 1HG1 VAL 57 73.252 27.002 -5.173 450 HG12 VAL 57 2HG1 VAL 57 74.056 25.518 -4.656 451 HG13 VAL 57 3HG1 VAL 57 73.110 26.458 -3.502 452 HG21 VAL 57 3HG2 VAL 57 76.567 27.183 -2.534 453 HG22 VAL 57 1HG2 VAL 57 75.323 25.942 -2.383 454 HG23 VAL 57 2HG2 VAL 57 76.521 25.838 -3.673 455 H LYS 58 H LYS 58 77.693 26.131 -5.477 456 HA LYS 58 HA LYS 58 79.587 27.504 -3.846 457 HB2 LYS 58 1HB LYS 58 79.635 25.074 -4.068 458 HB3 LYS 58 2HB LYS 58 79.951 25.217 -5.792 459 HG2 LYS 58 1HG LYS 58 81.841 26.537 -3.924 460 HG3 LYS 58 2HG LYS 58 81.879 24.776 -4.040 461 HD2 LYS 58 1HD LYS 58 81.980 25.133 -6.575 462 HD3 LYS 58 2HD LYS 58 82.370 26.812 -6.195 463 HE2 LYS 58 1HE LYS 58 83.897 24.425 -5.165 464 HE3 LYS 58 2HE LYS 58 84.362 25.372 -6.577 465 HZ1 LYS 58 3HZ LYS 58 84.933 25.887 -3.890 466 HZ2 LYS 58 1HZ LYS 58 83.920 27.126 -4.439 467 HZ3 LYS 58 2HZ LYS 58 85.371 26.801 -5.245 468 H PHE 59 H PHE 59 79.266 27.014 -7.351 469 HA PHE 59 HA PHE 59 81.559 28.593 -7.986 470 HB2 PHE 59 1HB PHE 59 80.760 26.830 -9.493 471 HB3 PHE 59 2HB PHE 59 79.255 27.709 -9.736 472 HD1 PHE 59 HD2 PHE 59 82.892 27.783 -10.345 473 HD2 PHE 59 HD1 PHE 59 79.103 29.474 -11.295 474 HE1 PHE 59 HE2 PHE 59 83.908 28.988 -12.234 475 HE2 PHE 59 HE1 PHE 59 80.113 30.681 -13.187 476 HZ PHE 59 HZ PHE 59 82.518 30.440 -13.657 477 H ARG 60 H ARG 60 78.060 29.164 -8.053 478 HA ARG 60 HA ARG 60 78.090 31.730 -9.146 479 HB2 ARG 60 1HB ARG 60 76.035 30.444 -8.885 480 HB3 ARG 60 2HB ARG 60 76.175 30.538 -7.134 481 HG2 ARG 60 1HG ARG 60 75.398 32.656 -7.046 482 HG3 ARG 60 2HG ARG 60 76.139 33.108 -8.582 483 HD2 ARG 60 1HD ARG 60 74.248 31.240 -9.312 484 HD3 ARG 60 2HD ARG 60 73.456 32.131 -8.013 485 HE ARG 60 HE ARG 60 73.355 33.978 -9.375 486 HH11 ARG 60 1HH1 ARG 60 75.480 31.605 -10.780 487 HH12 ARG 60 2HH1 ARG 60 75.621 32.436 -12.293 488 HH21 ARG 60 1HH2 ARG 60 73.532 35.081 -11.364 489 HH22 ARG 60 2HH2 ARG 60 74.513 34.414 -12.624 490 H ALA 61 H ALA 61 78.562 30.640 -5.834 491 HA ALA 61 HA ALA 61 78.403 33.119 -4.539 492 HB1 ALA 61 1HB ALA 61 79.396 30.446 -3.901 493 HB2 ALA 61 2HB ALA 61 80.240 31.743 -3.054 494 HB3 ALA 61 3HB ALA 61 78.490 31.589 -2.909 495 H PHE 62 H PHE 62 81.423 31.341 -5.204 496 HA PHE 62 HA PHE 62 82.722 33.497 -6.480 497 HB2 PHE 62 1HB PHE 62 82.753 33.510 -3.567 498 HB3 PHE 62 2HB PHE 62 84.376 33.459 -4.248 499 HD1 PHE 62 HD2 PHE 62 84.616 35.130 -6.370 500 HD2 PHE 62 HD1 PHE 62 81.931 35.588 -3.099 501 HE1 PHE 62 HE2 PHE 62 84.512 37.550 -6.799 502 HE2 PHE 62 HE1 PHE 62 81.822 38.009 -3.524 503 HZ PHE 62 HZ PHE 62 83.114 38.993 -5.375 504 H GLU 63 H GLU 63 83.482 31.963 -7.884 505 HA GLU 63 HA GLU 63 84.615 29.500 -7.186 506 HB2 GLU 63 1HB GLU 63 83.893 29.883 -9.442 507 HB3 GLU 63 2HB GLU 63 84.998 31.238 -9.624 508 HG2 GLU 63 1HG GLU 63 86.309 28.727 -8.913 509 HG3 GLU 63 2HG GLU 63 85.469 28.691 -10.462 510 H ASN 64 H ASN 64 85.884 32.687 -7.029 511 HA ASN 64 HA ASN 64 88.640 32.126 -7.246 512 HB2 ASN 64 1HB ASN 64 87.582 34.406 -7.354 513 HB3 ASN 64 2HB ASN 64 87.375 34.328 -5.607 514 HD21 ASN 64 2HD2 ASN 64 89.089 34.685 -4.289 515 HD22 ASN 64 1HD2 ASN 64 90.653 35.154 -4.854 516 H VAL 65 H VAL 65 86.352 31.676 -4.691 517 HA VAL 65 HA VAL 65 88.108 31.614 -2.489 518 HB VAL 65 HB VAL 65 85.550 30.041 -2.816 519 HG11 VAL 65 1HG1 VAL 65 85.719 29.463 -0.664 520 HG12 VAL 65 2HG1 VAL 65 87.416 29.927 -0.799 521 HG13 VAL 65 3HG1 VAL 65 86.233 31.080 -0.181 522 HG21 VAL 65 3HG2 VAL 65 84.477 31.987 -2.866 523 HG22 VAL 65 1HG2 VAL 65 85.115 32.336 -1.260 524 HG23 VAL 65 2HG2 VAL 65 85.992 32.874 -2.692 525 H HIS 66 H HIS 66 86.592 28.831 -4.133 526 HA HIS 66 HA HIS 66 87.251 26.663 -4.358 527 HB2 HIS 66 1HB HIS 66 88.994 27.993 -5.721 528 HB3 HIS 66 2HB HIS 66 90.092 27.656 -4.386 529 HD1 HIS 66 HD1 HIS 66 87.782 25.621 -6.634 530 HD2 HIS 66 HD2 HIS 66 91.501 25.395 -4.796 531 HE1 HIS 66 HE1 HIS 66 88.763 23.425 -7.368 532 H HIS 67 H HIS 67 87.097 27.810 -1.648 533 HA HIS 67 HA HIS 67 88.841 25.867 -0.286 534 HB2 HIS 67 1HB HIS 67 89.338 28.434 -0.020 535 HB3 HIS 67 2HB HIS 67 87.976 28.380 1.095 536 HD1 HIS 67 HD1 HIS 67 91.515 27.261 0.701 537 HD2 HIS 67 HD2 HIS 67 88.453 27.009 3.498 538 HE1 HIS 67 HE1 HIS 67 92.600 26.434 2.813 539 H ARG 68 H ARG 68 86.204 25.377 -1.204 540 HA ARG 68 HA ARG 68 85.015 24.481 1.247 541 HB2 ARG 68 1HB ARG 68 84.280 26.951 0.841 542 HB3 ARG 68 2HB ARG 68 83.243 26.256 -0.397 543 HG2 ARG 68 1HG ARG 68 81.932 26.462 1.555 544 HG3 ARG 68 2HG ARG 68 82.308 24.747 1.380 545 HD2 ARG 68 1HD ARG 68 82.546 25.516 3.701 546 HD3 ARG 68 2HD ARG 68 84.070 24.934 3.033 547 HE ARG 68 HE ARG 68 83.693 27.777 2.789 548 HH11 ARG 68 1HH1 ARG 68 84.844 25.193 4.819 549 HH12 ARG 68 2HH1 ARG 68 85.921 26.207 5.721 550 HH21 ARG 68 1HH2 ARG 68 85.108 29.122 3.969 551 HH22 ARG 68 2HH2 ARG 68 86.070 28.441 5.237 552 H THR 69 H THR 69 83.322 22.966 0.914 553 HA THR 69 HA THR 69 83.391 21.772 -1.756 554 HB THR 69 HB THR 69 82.046 20.467 0.579 555 HG1 THR 69 HG1 THR 69 83.962 19.865 1.438 556 HG21 THR 69 3HG2 THR 69 83.603 19.488 -1.813 557 HG22 THR 69 1HG2 THR 69 81.869 19.336 -1.532 558 HG23 THR 69 2HG2 THR 69 83.008 18.439 -0.526 559 H TYR 70 H TYR 70 81.520 21.206 -2.889 560 HA TYR 70 HA TYR 70 79.458 23.019 -2.979 561 HB2 TYR 70 1HB TYR 70 79.065 20.122 -3.709 562 HB3 TYR 70 2HB TYR 70 78.342 21.541 -4.457 563 HD1 TYR 70 HD2 TYR 70 80.836 23.219 -4.713 564 HD2 TYR 70 HD1 TYR 70 80.100 19.117 -5.573 565 HE1 TYR 70 HE2 TYR 70 82.634 23.254 -6.391 566 HE2 TYR 70 HE1 TYR 70 81.897 19.141 -7.253 567 HH TYR 70 HH TYR 70 83.001 21.346 -8.734 568 H VAL 71 H VAL 71 79.206 19.731 -1.610 569 HA VAL 71 HA VAL 71 76.673 19.974 -0.511 570 HB VAL 71 HB VAL 71 77.819 17.829 -0.649 571 HG11 VAL 71 1HG1 VAL 71 79.598 17.235 0.918 572 HG12 VAL 71 2HG1 VAL 71 80.078 18.588 -0.108 573 HG13 VAL 71 3HG1 VAL 71 79.586 18.877 1.561 574 HG21 VAL 71 3HG2 VAL 71 76.321 18.769 1.551 575 HG22 VAL 71 1HG2 VAL 71 76.452 17.117 0.949 576 HG23 VAL 71 2HG2 VAL 71 77.562 17.693 2.193 577 H ASP 72 H ASP 72 79.766 21.056 0.730 578 HA ASP 72 HA ASP 72 79.029 21.552 3.389 579 HB2 ASP 72 1HB ASP 72 81.328 21.846 1.886 580 HB3 ASP 72 2HB ASP 72 80.903 23.508 2.284 581 H LEU 73 H LEU 73 78.838 23.599 0.505 582 HA LEU 73 HA LEU 73 77.932 25.926 1.818 583 HB2 LEU 73 1HB LEU 73 77.695 24.963 -1.019 584 HB3 LEU 73 2HB LEU 73 77.058 26.519 -0.493 585 HG LEU 73 HG LEU 73 79.670 26.589 0.380 586 HD11 LEU 73 1HD1 LEU 73 79.494 24.616 -1.684 587 HD12 LEU 73 2HD1 LEU 73 80.909 25.175 -0.793 588 HD13 LEU 73 3HD1 LEU 73 80.412 26.005 -2.268 589 HD21 LEU 73 3HD2 LEU 73 78.464 28.428 -0.633 590 HD22 LEU 73 1HD2 LEU 73 78.478 27.611 -2.196 591 HD23 LEU 73 2HD2 LEU 73 79.990 28.171 -1.480 592 H LYS 74 H LYS 74 76.112 23.523 -0.091 593 HA LYS 74 HA LYS 74 73.564 24.528 0.434 594 HB2 LYS 74 1HB LYS 74 74.306 22.710 -1.236 595 HB3 LYS 74 2HB LYS 74 74.125 21.590 0.107 596 HG2 LYS 74 1HG LYS 74 71.855 23.401 -0.496 597 HG3 LYS 74 2HG LYS 74 72.168 22.063 -1.603 598 HD2 LYS 74 1HD LYS 74 72.061 21.573 1.346 599 HD3 LYS 74 2HD LYS 74 70.565 21.719 0.420 600 HE2 LYS 74 1HE LYS 74 71.767 19.997 -1.163 601 HE3 LYS 74 2HE LYS 74 72.692 19.633 0.293 602 HZ1 LYS 74 3HZ LYS 74 70.964 18.586 1.207 603 HZ2 LYS 74 1HZ LYS 74 70.299 18.553 -0.349 604 HZ3 LYS 74 2HZ LYS 74 69.854 19.772 0.736 605 H ASP 75 H ASP 75 75.418 22.037 2.156 606 HA ASP 75 HA ASP 75 73.438 21.452 4.078 607 HB2 ASP 75 1HB ASP 75 75.557 20.118 3.492 608 HB3 ASP 75 2HB ASP 75 76.398 21.217 4.582 609 H LYS 76 H LYS 76 76.049 23.814 3.989 610 HA LYS 76 HA LYS 76 75.953 24.659 6.654 611 HB2 LYS 76 1HB LYS 76 76.936 25.796 4.096 612 HB3 LYS 76 2HB LYS 76 76.669 26.935 5.409 613 HG2 LYS 76 1HG LYS 76 78.263 24.447 5.864 614 HG3 LYS 76 2HG LYS 76 78.998 25.866 5.116 615 HD2 LYS 76 1HD LYS 76 78.079 27.173 7.111 616 HD3 LYS 76 2HD LYS 76 77.805 25.599 7.862 617 HE2 LYS 76 1HE LYS 76 80.361 25.318 7.028 618 HE3 LYS 76 2HE LYS 76 80.317 27.051 7.351 619 HZ1 LYS 76 3HZ LYS 76 80.034 26.727 9.562 620 HZ2 LYS 76 1HZ LYS 76 80.868 25.295 9.220 621 HZ3 LYS 76 2HZ LYS 76 79.184 25.277 9.375 622 H TRP 77 H TRP 77 74.156 25.781 3.814 623 HA TRP 77 HA TRP 77 72.791 27.881 5.120 624 HB2 TRP 77 1HB TRP 77 72.876 27.911 2.736 625 HB3 TRP 77 2HB TRP 77 72.170 26.300 2.624 626 HD1 TRP 77 HD1 TRP 77 71.107 29.832 3.842 627 HE1 TRP 77 HE1 TRP 77 68.599 30.118 3.334 628 HE3 TRP 77 HE3 TRP 77 70.123 25.180 1.962 629 HZ2 TRP 77 HZ2 TRP 77 66.485 28.576 2.277 630 HZ3 TRP 77 HZ3 TRP 77 67.832 24.666 1.226 631 HH2 TRP 77 HH2 TRP 77 66.052 26.330 1.381 632 H LYS 78 H LYS 78 71.815 24.545 4.364 633 HA LYS 78 HA LYS 78 69.249 24.648 5.459 634 HB2 LYS 78 1HB LYS 78 69.901 22.797 4.069 635 HB3 LYS 78 2HB LYS 78 71.181 22.342 5.187 636 HG2 LYS 78 1HG LYS 78 69.748 21.340 6.642 637 HG3 LYS 78 2HG LYS 78 68.400 22.399 6.219 638 HD2 LYS 78 1HD LYS 78 67.717 20.430 5.254 639 HD3 LYS 78 2HD LYS 78 68.576 21.175 3.903 640 HE2 LYS 78 1HE LYS 78 70.536 19.853 4.362 641 HE3 LYS 78 2HE LYS 78 69.802 19.202 5.827 642 HZ1 LYS 78 3HZ LYS 78 68.284 18.807 3.388 643 HZ2 LYS 78 1HZ LYS 78 68.581 17.738 4.666 644 HZ3 LYS 78 2HZ LYS 78 69.751 17.968 3.466 645 H THR 79 H THR 79 72.344 23.795 6.961 646 HA THR 79 HA THR 79 71.302 23.105 9.490 647 HB THR 79 HB THR 79 74.051 24.240 8.961 648 HG1 THR 79 HG1 THR 79 73.100 21.562 8.713 649 HG21 THR 79 3HG2 THR 79 74.526 22.500 10.837 650 HG22 THR 79 1HG2 THR 79 72.800 22.646 11.166 651 HG23 THR 79 2HG2 THR 79 73.840 24.067 11.265 652 H LEU 80 H LEU 80 72.810 26.126 8.346 653 HA LEU 80 HA LEU 80 72.510 27.583 10.710 654 HB2 LEU 80 1HB LEU 80 73.385 29.283 9.544 655 HB3 LEU 80 2HB LEU 80 73.635 28.060 8.301 656 HG LEU 80 HG LEU 80 71.268 28.826 7.488 657 HD11 LEU 80 1HD1 LEU 80 70.374 30.498 8.640 658 HD12 LEU 80 2HD1 LEU 80 71.669 31.531 8.037 659 HD13 LEU 80 3HD1 LEU 80 71.847 30.710 9.587 660 HD21 LEU 80 3HD2 LEU 80 73.712 29.167 6.540 661 HD22 LEU 80 1HD2 LEU 80 73.378 30.849 6.954 662 HD23 LEU 80 2HD2 LEU 80 72.321 29.991 5.833 663 H VAL 81 H VAL 81 70.251 26.889 8.137 664 HA VAL 81 HA VAL 81 68.313 28.849 8.806 665 HB VAL 81 HB VAL 81 68.168 26.278 7.252 666 HG11 VAL 81 1HG1 VAL 81 65.924 28.160 7.947 667 HG12 VAL 81 2HG1 VAL 81 65.860 27.037 6.588 668 HG13 VAL 81 3HG1 VAL 81 66.012 26.423 8.235 669 HG21 VAL 81 3HG2 VAL 81 67.468 28.917 6.112 670 HG22 VAL 81 1HG2 VAL 81 69.163 28.648 6.520 671 HG23 VAL 81 2HG2 VAL 81 68.345 27.566 5.393 672 H HIS 82 H HIS 82 68.689 25.430 9.676 673 HA HIS 82 HA HIS 82 66.310 25.203 11.166 674 HB2 HIS 82 1HB HIS 82 67.706 23.292 10.336 675 HB3 HIS 82 2HB HIS 82 68.872 23.659 11.604 676 HD1 HIS 82 HD1 HIS 82 65.129 22.949 11.443 677 HD2 HIS 82 HD2 HIS 82 68.459 22.143 13.792 678 HE1 HIS 82 HE1 HIS 82 64.304 21.454 13.289 679 H THR 83 H THR 83 69.561 26.232 12.033 680 HA THR 83 HA THR 83 69.054 26.350 14.845 681 HB THR 83 HB THR 83 71.243 27.655 13.215 682 HG1 THR 83 HG1 THR 83 71.449 25.357 14.868 683 HG21 THR 83 3HG2 THR 83 70.717 27.488 16.155 684 HG22 THR 83 1HG2 THR 83 71.290 28.852 15.197 685 HG23 THR 83 2HG2 THR 83 72.377 27.512 15.562 686 H ALA 84 H ALA 84 68.641 28.525 12.163 687 HA ALA 84 HA ALA 84 68.129 30.787 13.943 688 HB1 ALA 84 1HB ALA 84 68.110 32.155 11.965 689 HB2 ALA 84 2HB ALA 84 69.530 31.109 11.924 690 HB3 ALA 84 3HB ALA 84 68.124 30.728 10.929 691 H SER 85 H SER 85 66.429 28.235 12.789 692 HA SER 85 HA SER 85 63.921 29.776 12.628 693 HB2 SER 85 1HB SER 85 63.024 28.151 11.151 694 HB3 SER 85 2HB SER 85 64.659 28.458 10.565 695 HG SER 85 HG SER 85 65.075 26.555 12.159 696 H ILE 86 H ILE 86 65.660 27.272 14.232 697 HA ILE 86 HA ILE 86 63.860 25.612 15.352 698 HB ILE 86 HB ILE 86 65.257 26.086 17.584 699 HG12 ILE 86 1HG1 ILE 86 67.313 26.872 15.572 700 HG13 ILE 86 2HG1 ILE 86 66.231 28.122 16.176 701 HG21 ILE 86 1HG2 ILE 86 65.313 24.252 15.541 702 HG22 ILE 86 2HG2 ILE 86 66.976 24.835 15.593 703 HG23 ILE 86 3HG2 ILE 86 66.236 24.153 17.041 704 HD11 ILE 86 3HD1 ILE 86 68.570 27.119 17.365 705 HD12 ILE 86 1HD1 ILE 86 67.447 28.317 18.007 706 HD13 ILE 86 2HD1 ILE 86 67.219 26.607 18.377 707 H ALA 87 H ALA 87 64.854 28.321 17.400 708 HA ALA 87 HA ALA 87 62.185 29.324 17.717 709 HB1 ALA 87 1HB ALA 87 62.635 28.755 20.360 710 HB2 ALA 87 2HB ALA 87 61.545 27.871 19.291 711 HB3 ALA 87 3HB ALA 87 63.189 27.288 19.550 712 HA PRO 88 HA PRO 88 64.307 32.934 19.025 713 HB2 PRO 88 1HB PRO 88 62.567 34.022 20.803 714 HB3 PRO 88 2HB PRO 88 62.273 34.001 19.061 715 HG2 PRO 88 1HG PRO 88 61.206 32.180 21.183 716 HG3 PRO 88 2HG PRO 88 60.359 32.912 19.808 717 HD2 PRO 88 1HD PRO 88 61.223 30.345 19.789 718 HD3 PRO 88 2HD PRO 88 61.155 31.341 18.320 719 H GLN 89 H GLN 89 62.956 31.025 21.698 720 HA GLN 89 HA GLN 89 64.617 32.134 23.707 721 HB2 GLN 89 1HB GLN 89 63.847 30.312 25.107 722 HB3 GLN 89 2HB GLN 89 62.497 30.954 24.182 723 HG2 GLN 89 1HG GLN 89 63.295 28.991 22.531 724 HG3 GLN 89 2HG GLN 89 63.776 28.306 24.083 725 HE21 GLN 89 2HE2 GLN 89 62.292 27.224 25.162 726 HE22 GLN 89 1HE2 GLN 89 60.584 27.326 24.922 727 H GLN 90 H GLN 90 65.059 29.617 21.361 728 HA GLN 90 HA GLN 90 67.312 28.407 22.665 729 HB2 GLN 90 1HB GLN 90 66.298 28.176 19.827 730 HB3 GLN 90 2HB GLN 90 67.590 27.198 20.511 731 HG2 GLN 90 1HG GLN 90 64.756 27.267 21.520 732 HG3 GLN 90 2HG GLN 90 65.429 26.033 20.456 733 HE21 GLN 90 2HE2 GLN 90 66.706 24.450 21.290 734 HE22 GLN 90 1HE2 GLN 90 66.992 24.241 22.981 735 H ARG 91 H ARG 91 67.226 29.842 19.413 736 HA ARG 91 HA ARG 91 68.933 30.832 18.230 737 HB2 ARG 91 1HB ARG 91 69.509 33.029 19.113 738 HB3 ARG 91 2HB ARG 91 67.796 32.705 19.345 739 HG2 ARG 91 1HG ARG 91 68.039 32.413 21.645 740 HG3 ARG 91 2HG ARG 91 69.784 32.179 21.522 741 HD2 ARG 91 1HD ARG 91 69.804 34.601 20.616 742 HD3 ARG 91 2HD ARG 91 68.198 34.712 21.333 743 HE ARG 91 HE ARG 91 70.721 34.624 22.721 744 HH11 ARG 91 1HH1 ARG 91 67.287 34.100 22.949 745 HH12 ARG 91 2HH1 ARG 91 67.238 34.300 24.669 746 HH21 ARG 91 1HH2 ARG 91 70.670 34.890 24.986 747 HH22 ARG 91 2HH2 ARG 91 69.164 34.750 25.826 748 H ARG 92 H ARG 92 69.924 28.602 19.560 749 HA ARG 92 HA ARG 92 72.367 29.352 20.922 750 HB2 ARG 92 1HB ARG 92 71.253 26.664 20.105 751 HB3 ARG 92 2HB ARG 92 72.756 26.881 20.991 752 HG2 ARG 92 1HG ARG 92 70.204 28.025 22.044 753 HG3 ARG 92 2HG ARG 92 70.593 26.320 22.282 754 HD2 ARG 92 1HD ARG 92 72.633 26.894 23.422 755 HD3 ARG 92 2HD ARG 92 72.399 28.604 23.061 756 HE ARG 92 HE ARG 92 70.175 27.980 24.450 757 HH11 ARG 92 1HH1 ARG 92 73.565 27.467 25.055 758 HH12 ARG 92 2HH1 ARG 92 73.403 27.545 26.778 759 HH21 ARG 92 1HH2 ARG 92 69.948 28.084 26.717 760 HH22 ARG 92 2HH2 ARG 92 71.345 27.895 27.722 761 H GLY 93 H GLY 93 74.152 29.895 19.867 762 HA2 GLY 93 1HA GLY 93 75.537 28.439 18.030 763 HA3 GLY 93 2HA GLY 93 74.434 29.390 17.046 764 H ALA 94 H ALA 94 77.035 29.770 16.596 765 HA ALA 94 HA ALA 94 78.463 31.576 18.125 766 HB1 ALA 94 1HB ALA 94 79.811 30.929 16.453 767 HB2 ALA 94 2HB ALA 94 78.475 30.727 15.319 768 HB3 ALA 94 3HB ALA 94 79.153 32.329 15.605 769 HA PRO 95 HA PRO 95 76.514 35.497 17.849 770 HB2 PRO 95 1HB PRO 95 78.623 37.183 17.565 771 HB3 PRO 95 2HB PRO 95 78.259 36.346 19.079 772 HG2 PRO 95 1HG PRO 95 80.260 35.650 16.964 773 HG3 PRO 95 2HG PRO 95 80.440 35.619 18.728 774 HD2 PRO 95 1HD PRO 95 79.978 33.384 17.270 775 HD3 PRO 95 2HD PRO 95 79.371 33.587 18.926 776 H VAL 96 H VAL 96 75.349 35.386 15.918 777 HA VAL 96 HA VAL 96 76.689 36.577 13.576 778 HB VAL 96 HB VAL 96 74.847 35.379 12.248 779 HG11 VAL 96 1HG1 VAL 96 76.634 34.212 11.638 780 HG12 VAL 96 2HG1 VAL 96 77.406 34.513 13.196 781 HG13 VAL 96 3HG1 VAL 96 76.346 33.118 12.990 782 HG21 VAL 96 3HG2 VAL 96 74.783 33.255 14.268 783 HG22 VAL 96 1HG2 VAL 96 73.900 34.716 14.711 784 HG23 VAL 96 2HG2 VAL 96 73.503 33.864 13.219 785 HA PRO 97 HA PRO 97 73.712 39.802 13.573 786 HB2 PRO 97 1HB PRO 97 73.400 40.253 10.914 787 HB3 PRO 97 2HB PRO 97 74.860 40.708 11.801 788 HG2 PRO 97 1HG PRO 97 74.358 38.309 10.081 789 HG3 PRO 97 2HG PRO 97 75.790 39.352 10.156 790 HD2 PRO 97 1HD PRO 97 75.676 36.944 11.389 791 HD3 PRO 97 2HD PRO 97 76.608 38.307 12.041 792 H GLN 98 H GLN 98 71.528 40.147 13.495 793 HA GLN 98 HA GLN 98 69.815 37.934 13.199 794 HB2 GLN 98 1HB GLN 98 67.987 39.553 13.499 795 HB3 GLN 98 2HB GLN 98 69.271 39.791 14.677 796 HG2 GLN 98 1HG GLN 98 70.157 41.610 13.200 797 HG3 GLN 98 2HG GLN 98 68.690 41.445 12.237 798 HE21 GLN 98 2HE2 GLN 98 66.632 41.634 13.478 799 HE22 GLN 98 1HE2 GLN 98 66.563 42.826 14.727 800 H GLU 99 H GLU 99 70.668 40.572 11.037 801 HA GLU 99 HA GLU 99 68.700 40.295 9.104 802 HB2 GLU 99 1HB GLU 99 70.421 41.201 7.513 803 HB3 GLU 99 2HB GLU 99 70.201 42.145 8.979 804 HG2 GLU 99 1HG GLU 99 72.239 41.471 9.870 805 HG3 GLU 99 2HG GLU 99 72.358 40.081 8.792 806 H LEU 100 H LEU 100 71.560 38.364 9.687 807 HA LEU 100 HA LEU 100 71.570 36.954 7.237 808 HB2 LEU 100 1HB LEU 100 72.900 36.770 9.831 809 HB3 LEU 100 2HB LEU 100 72.646 35.207 9.057 810 HG LEU 100 HG LEU 100 73.954 35.848 7.167 811 HD11 LEU 100 1HD1 LEU 100 73.553 38.570 8.250 812 HD12 LEU 100 2HD1 LEU 100 73.598 38.005 6.580 813 HD13 LEU 100 3HD1 LEU 100 75.101 38.235 7.473 814 HD21 LEU 100 3HD2 LEU 100 75.765 35.319 8.331 815 HD22 LEU 100 1HD2 LEU 100 74.973 35.830 9.822 816 HD23 LEU 100 2HD2 LEU 100 75.903 36.992 8.875 817 H LEU 101 H LEU 101 70.000 36.371 10.341 818 HA LEU 101 HA LEU 101 68.975 33.802 9.603 819 HB2 LEU 101 1HB LEU 101 68.171 35.681 11.819 820 HB3 LEU 101 2HB LEU 101 67.620 34.015 11.652 821 HG LEU 101 HG LEU 101 69.280 33.544 13.074 822 HD11 LEU 101 1HD1 LEU 101 71.313 32.919 12.064 823 HD12 LEU 101 2HD1 LEU 101 71.170 34.161 10.821 824 HD13 LEU 101 3HD1 LEU 101 70.089 32.768 10.803 825 HD21 LEU 101 3HD2 LEU 101 71.319 35.123 13.262 826 HD22 LEU 101 1HD2 LEU 101 69.758 35.666 13.876 827 HD23 LEU 101 2HD2 LEU 101 70.338 36.239 12.312 828 H ASP 102 H ASP 102 67.927 37.084 9.242 829 HA ASP 102 HA ASP 102 65.167 36.479 8.763 830 HB2 ASP 102 1HB ASP 102 65.723 38.678 9.566 831 HB3 ASP 102 2HB ASP 102 66.828 38.944 8.221 832 H ARG 103 H ARG 103 68.031 36.949 6.773 833 HA ARG 103 HA ARG 103 66.621 36.916 4.287 834 HB2 ARG 103 1HB ARG 103 68.883 36.666 3.290 835 HB3 ARG 103 2HB ARG 103 68.763 38.018 4.408 836 HG2 ARG 103 1HG ARG 103 69.829 36.657 6.149 837 HG3 ARG 103 2HG ARG 103 69.981 35.328 4.998 838 HD2 ARG 103 1HD ARG 103 71.309 38.027 4.902 839 HD3 ARG 103 2HD ARG 103 72.076 36.446 5.050 840 HE ARG 103 HE ARG 103 70.784 36.280 2.683 841 HH11 ARG 103 1HH1 ARG 103 72.999 38.599 4.036 842 HH12 ARG 103 2HH1 ARG 103 73.671 39.048 2.503 843 HH21 ARG 103 1HH2 ARG 103 71.660 36.861 0.659 844 HH22 ARG 103 2HH2 ARG 103 72.908 38.059 0.583 845 H VAL 104 H VAL 104 68.447 34.523 6.153 846 HA VAL 104 HA VAL 104 68.223 32.432 4.252 847 HB VAL 104 HB VAL 104 68.920 30.936 6.043 848 HG11 VAL 104 1HG1 VAL 104 70.958 31.693 5.594 849 HG12 VAL 104 2HG1 VAL 104 70.316 33.295 5.224 850 HG13 VAL 104 3HG1 VAL 104 70.770 32.887 6.879 851 HG21 VAL 104 3HG2 VAL 104 67.840 31.482 7.986 852 HG22 VAL 104 1HG2 VAL 104 69.414 32.214 8.297 853 HG23 VAL 104 2HG2 VAL 104 68.067 33.216 7.756 854 H LEU 105 H LEU 105 66.277 33.395 7.037 855 HA LEU 105 HA LEU 105 64.549 31.150 7.002 856 HB2 LEU 105 1HB LEU 105 64.418 33.887 8.200 857 HB3 LEU 105 2HB LEU 105 63.005 32.834 8.240 858 HG LEU 105 HG LEU 105 65.691 32.111 9.406 859 HD11 LEU 105 1HD1 LEU 105 63.493 33.735 10.452 860 HD12 LEU 105 2HD1 LEU 105 65.169 33.609 10.985 861 HD13 LEU 105 3HD1 LEU 105 63.985 32.411 11.508 862 HD21 LEU 105 3HD2 LEU 105 63.874 30.593 10.678 863 HD22 LEU 105 1HD2 LEU 105 64.727 30.078 9.222 864 HD23 LEU 105 2HD2 LEU 105 63.096 30.739 9.101 865 H ALA 106 H ALA 106 64.123 34.477 5.799 866 HA ALA 106 HA ALA 106 61.594 34.177 4.690 867 HB1 ALA 106 1HB ALA 106 63.828 35.913 3.646 868 HB2 ALA 106 2HB ALA 106 62.103 36.123 3.339 869 HB3 ALA 106 3HB ALA 106 62.741 36.336 4.969 870 H ALA 107 H ALA 107 64.765 33.729 3.135 871 HA ALA 107 HA ALA 107 63.831 33.039 0.593 872 HB1 ALA 107 1HB ALA 107 66.073 31.817 0.427 873 HB2 ALA 107 2HB ALA 107 66.107 33.551 0.751 874 HB3 ALA 107 3HB ALA 107 66.368 32.403 2.064 875 H GLN 108 H GLN 108 64.522 31.011 3.417 876 HA GLN 108 HA GLN 108 64.173 28.511 2.257 877 HB2 GLN 108 1HB GLN 108 64.872 29.250 4.688 878 HB3 GLN 108 2HB GLN 108 63.163 29.011 5.025 879 HG2 GLN 108 1HG GLN 108 65.213 27.005 4.186 880 HG3 GLN 108 2HG GLN 108 64.135 26.980 5.580 881 HE21 GLN 108 2HE2 GLN 108 61.813 26.765 5.100 882 HE22 GLN 108 1HE2 GLN 108 61.341 25.766 3.772 883 H ALA 109 H ALA 109 61.756 30.607 3.806 884 HA ALA 109 HA ALA 109 59.571 28.852 3.335 885 HB1 ALA 109 1HB ALA 109 59.947 31.081 4.861 886 HB2 ALA 109 2HB ALA 109 58.915 31.694 3.568 887 HB3 ALA 109 3HB ALA 109 58.387 30.322 4.541 888 H TYR 110 H TYR 110 60.904 31.618 1.590 889 HA TYR 110 HA TYR 110 58.902 32.022 -0.281 890 HB2 TYR 110 1HB TYR 110 61.856 32.461 -0.274 891 HB3 TYR 110 2HB TYR 110 60.984 32.643 -1.792 892 HD1 TYR 110 HD2 TYR 110 58.519 33.923 -1.109 893 HD2 TYR 110 HD1 TYR 110 62.381 34.545 0.565 894 HE1 TYR 110 HE2 TYR 110 57.866 36.205 -0.464 895 HE2 TYR 110 HE1 TYR 110 61.738 36.828 1.215 896 HH TYR 110 HH TYR 110 60.013 38.263 1.437 897 H TRP 111 H TRP 111 61.604 29.734 -0.362 898 HA TRP 111 HA TRP 111 60.771 28.662 -2.916 899 HB2 TRP 111 1HB TRP 111 62.892 27.650 -1.010 900 HB3 TRP 111 2HB TRP 111 62.678 27.162 -2.689 901 HD1 TRP 111 HD1 TRP 111 65.005 29.080 -0.881 902 HE1 TRP 111 HE1 TRP 111 66.011 31.016 -2.245 903 HE3 TRP 111 HE3 TRP 111 61.554 29.299 -4.647 904 HZ2 TRP 111 HZ2 TRP 111 65.421 32.448 -4.605 905 HZ3 TRP 111 HZ3 TRP 111 61.848 30.981 -6.419 906 HH2 TRP 111 HH2 TRP 111 63.742 32.522 -6.396 907 H SER 112 H SER 112 60.113 28.089 0.387 908 HA SER 112 HA SER 112 59.491 25.314 0.219 909 HB2 SER 112 1HB SER 112 60.016 26.553 2.346 910 HB3 SER 112 2HB SER 112 58.427 27.310 2.228 911 HG SER 112 HG SER 112 59.103 24.809 3.068 912 H VAL 113 H VAL 113 57.744 24.354 -0.580 913 HA VAL 113 HA VAL 113 55.786 25.629 -2.052 914 HB VAL 113 HB VAL 113 56.238 23.224 -2.224 915 HG11 VAL 113 1HG1 VAL 113 54.649 22.851 0.301 916 HG12 VAL 113 2HG1 VAL 113 55.573 21.648 -0.600 917 HG13 VAL 113 3HG1 VAL 113 56.411 22.920 0.290 918 HG21 VAL 113 3HG2 VAL 113 54.054 22.568 -2.751 919 HG22 VAL 113 1HG2 VAL 113 53.354 23.539 -1.457 920 HG23 VAL 113 2HG2 VAL 113 54.020 24.326 -2.888 921 H ASP 114 H ASP 114 55.906 24.989 1.376 922 HA ASP 114 HA ASP 114 53.616 26.724 1.781 923 HB2 ASP 114 1HB ASP 114 52.750 24.342 1.552 924 HB3 ASP 114 2HB ASP 114 53.604 23.987 3.051 925 H SER 115 H SER 115 53.772 27.889 3.621 926 HA SER 115 HA SER 115 55.428 27.006 5.822 927 HB2 SER 115 1HB SER 115 56.736 29.223 5.727 928 HB3 SER 115 2HB SER 115 57.206 27.954 4.597 929 HG SER 115 HG SER 115 55.660 29.084 3.120 930 H SER 116 H SER 116 55.182 28.301 7.716 931 HA SER 116 HA SER 116 52.566 29.406 7.977 932 HB2 SER 116 1HB SER 116 53.111 29.710 10.305 933 HB3 SER 116 2HB SER 116 53.782 28.163 9.789 934 HG SER 116 HG SER 116 55.075 30.516 10.516 935 H GLY 117 H GLY 117 52.638 31.561 9.528 936 HA2 GLY 117 1HA GLY 117 52.989 33.700 7.797 937 HA3 GLY 117 2HA GLY 117 52.886 33.843 9.546 938 H ARG 118 H ARG 118 54.434 35.569 8.027 939 HA ARG 118 HA ARG 118 57.187 34.673 8.156 940 HB2 ARG 118 1HB ARG 118 56.120 36.253 6.390 941 HB3 ARG 118 2HB ARG 118 56.333 37.499 7.612 942 HG2 ARG 118 1HG ARG 118 58.689 37.237 7.597 943 HG3 ARG 118 2HG ARG 118 58.581 35.765 6.629 944 HD2 ARG 118 1HD ARG 118 57.834 38.548 5.739 945 HD3 ARG 118 2HD ARG 118 59.275 37.653 5.259 946 HE ARG 118 HE ARG 118 57.179 36.043 4.550 947 HH11 ARG 118 1HH1 ARG 118 58.153 39.309 3.838 948 HH12 ARG 118 2HH1 ARG 118 57.436 39.317 2.260 949 HH21 ARG 118 1HH2 ARG 118 56.232 36.041 2.475 950 HH22 ARG 118 2HH2 ARG 118 56.343 37.458 1.487 951 H ILE 119 H ILE 119 58.818 36.145 9.214 952 HA ILE 119 HA ILE 119 58.330 36.282 11.974 953 HB ILE 119 HB ILE 119 60.486 37.696 10.400 954 HG12 ILE 119 1HG1 ILE 119 60.481 35.265 10.035 955 HG13 ILE 119 2HG1 ILE 119 61.884 35.764 10.973 956 HG21 ILE 119 1HG2 ILE 119 61.715 37.542 12.597 957 HG22 ILE 119 2HG2 ILE 119 60.375 38.686 12.547 958 HG23 ILE 119 3HG2 ILE 119 60.170 37.122 13.336 959 HD11 ILE 119 3HD1 ILE 119 59.380 34.491 12.048 960 HD12 ILE 119 1HD1 ILE 119 60.957 33.724 11.862 961 HD13 ILE 119 2HD1 ILE 119 60.745 35.037 13.021 962 H VAL 120 H VAL 120 56.973 37.635 12.941 963 HA VAL 120 HA VAL 120 56.724 40.379 11.910 964 HB VAL 120 HB VAL 120 54.624 40.440 13.320 965 HG11 VAL 120 1HG1 VAL 120 54.083 38.277 11.434 966 HG12 VAL 120 2HG1 VAL 120 53.473 39.932 11.469 967 HG13 VAL 120 3HG1 VAL 120 55.047 39.586 10.753 968 HG21 VAL 120 3HG2 VAL 120 53.912 38.671 14.506 969 HG22 VAL 120 1HG2 VAL 120 54.401 37.519 13.264 970 HG23 VAL 120 2HG2 VAL 120 55.590 38.137 14.411 971 H THR 121 H THR 121 58.879 40.593 13.107 972 HA THR 121 HA THR 121 58.545 40.941 15.991 973 HB THR 121 HB THR 121 60.555 39.748 15.201 974 HG1 THR 121 HG1 THR 121 61.729 40.672 16.741 975 HG21 THR 121 3HG2 THR 121 61.997 40.548 13.659 976 HG22 THR 121 1HG2 THR 121 61.869 42.205 14.249 977 HG23 THR 121 2HG2 THR 121 60.631 41.553 13.176 978 H LEU 122 H LEU 122 57.170 42.748 14.262 979 HA LEU 122 HA LEU 122 58.698 45.231 14.400 980 HB2 LEU 122 1HB LEU 122 57.408 44.648 12.364 981 HB3 LEU 122 2HB LEU 122 55.928 44.740 13.315 982 HG LEU 122 HG LEU 122 57.718 47.125 13.184 983 HD11 LEU 122 1HD1 LEU 122 56.501 47.879 11.171 984 HD12 LEU 122 2HD1 LEU 122 55.802 46.267 11.022 985 HD13 LEU 122 3HD1 LEU 122 57.544 46.489 10.868 986 HD21 LEU 122 3HD2 LEU 122 54.983 46.465 13.971 987 HD22 LEU 122 1HD2 LEU 122 55.107 47.911 12.968 988 HD23 LEU 122 2HD2 LEU 122 56.020 47.801 14.473 Start of MODEL 8 1 H1 GLY 1 H GLY 1 130.789 59.042 17.315 2 HA2 GLY 1 1HA GLY 1 129.189 57.306 18.044 3 HA3 GLY 1 2HA GLY 1 129.703 57.655 19.688 4 H SER 2 H SER 2 128.592 59.583 16.898 5 HA SER 2 HA SER 2 126.571 60.786 18.669 6 HB2 SER 2 1HB SER 2 128.328 62.427 18.394 7 HB3 SER 2 2HB SER 2 128.320 62.203 16.645 8 HG SER 2 HG SER 2 127.088 63.971 16.974 9 HA PRO 3 HA PRO 3 124.667 59.014 14.797 10 HB2 PRO 3 1HB PRO 3 122.725 57.626 16.090 11 HB3 PRO 3 2HB PRO 3 124.332 56.961 15.773 12 HG2 PRO 3 1HG PRO 3 123.249 58.184 18.282 13 HG3 PRO 3 2HG PRO 3 124.247 56.732 18.085 14 HD2 PRO 3 1HD PRO 3 125.279 59.116 18.849 15 HD3 PRO 3 2HD PRO 3 126.195 57.946 17.879 16 H PHE 4 H PHE 4 122.249 59.098 14.239 17 HA PHE 4 HA PHE 4 121.252 61.705 15.087 18 HB2 PHE 4 1HB PHE 4 121.469 61.092 12.651 19 HB3 PHE 4 2HB PHE 4 120.172 59.927 12.896 20 HD1 PHE 4 HD2 PHE 4 120.913 63.540 13.442 21 HD2 PHE 4 HD1 PHE 4 118.013 60.582 12.463 22 HE1 PHE 4 HE2 PHE 4 119.254 65.308 13.028 23 HE2 PHE 4 HE1 PHE 4 116.349 62.346 12.047 24 HZ PHE 4 HZ PHE 4 116.968 64.712 12.331 25 H ALA 5 H ALA 5 119.419 62.018 16.223 26 HA ALA 5 HA ALA 5 118.199 59.718 17.475 27 HB1 ALA 5 1HB ALA 5 118.729 61.743 18.767 28 HB2 ALA 5 2HB ALA 5 117.555 62.645 17.809 29 HB3 ALA 5 3HB ALA 5 117.017 61.326 18.849 30 H ASP 6 H ASP 6 116.400 58.738 16.832 31 HA ASP 6 HA ASP 6 114.966 59.684 14.532 32 HB2 ASP 6 1HB ASP 6 114.920 57.245 16.237 33 HB3 ASP 6 2HB ASP 6 113.464 57.619 15.320 34 HA PRO 7 HA PRO 7 111.605 61.804 16.386 35 HB2 PRO 7 1HB PRO 7 109.495 60.994 14.882 36 HB3 PRO 7 2HB PRO 7 110.742 62.090 14.275 37 HG2 PRO 7 1HG PRO 7 110.446 59.141 13.855 38 HG3 PRO 7 2HG PRO 7 110.880 60.400 12.684 39 HD2 PRO 7 1HD PRO 7 112.723 58.790 13.843 40 HD3 PRO 7 2HD PRO 7 113.076 60.468 13.382 41 H ASN 8 H ASN 8 111.468 60.906 18.452 42 HA ASN 8 HA ASN 8 109.771 58.540 18.786 43 HB2 ASN 8 1HB ASN 8 112.046 58.699 19.902 44 HB3 ASN 8 2HB ASN 8 111.361 59.956 20.928 45 HD21 ASN 8 2HD2 ASN 8 111.512 58.850 22.823 46 HD22 ASN 8 1HD2 ASN 8 110.586 57.435 23.179 47 H SER 9 H SER 9 108.097 60.302 18.025 48 HA SER 9 HA SER 9 106.586 60.996 20.388 49 HB2 SER 9 1HB SER 9 107.335 63.179 18.430 50 HB3 SER 9 2HB SER 9 106.338 63.354 19.874 51 HG SER 9 HG SER 9 108.208 63.875 20.720 52 H LEU 10 H LEU 10 104.390 61.714 19.862 53 HA LEU 10 HA LEU 10 103.515 61.266 17.121 54 HB2 LEU 10 1HB LEU 10 102.484 59.667 19.459 55 HB3 LEU 10 2HB LEU 10 101.758 59.687 17.854 56 HG LEU 10 HG LEU 10 104.571 58.749 18.392 57 HD11 LEU 10 1HD1 LEU 10 102.776 57.418 19.577 58 HD12 LEU 10 2HD1 LEU 10 103.798 56.523 18.453 59 HD13 LEU 10 3HD1 LEU 10 102.167 56.993 17.977 60 HD21 LEU 10 3HD2 LEU 10 104.425 57.783 16.197 61 HD22 LEU 10 1HD2 LEU 10 104.009 59.494 16.091 62 HD23 LEU 10 2HD2 LEU 10 102.737 58.273 16.046 63 H ALA 11 H ALA 11 101.286 61.922 16.758 64 HA ALA 11 HA ALA 11 100.520 64.086 18.583 65 HB1 ALA 11 1HB ALA 11 98.925 64.465 16.451 66 HB2 ALA 11 2HB ALA 11 100.553 65.131 16.583 67 HB3 ALA 11 3HB ALA 11 100.280 63.642 15.679 68 H LEU 12 H LEU 12 98.778 61.785 16.481 69 HA LEU 12 HA LEU 12 97.245 60.668 18.574 70 HB2 LEU 12 1HB LEU 12 96.329 63.056 18.323 71 HB3 LEU 12 2HB LEU 12 95.634 62.482 16.809 72 HG LEU 12 HG LEU 12 95.057 61.096 19.408 73 HD11 LEU 12 1HD1 LEU 12 93.539 63.427 18.245 74 HD12 LEU 12 2HD1 LEU 12 94.508 63.461 19.718 75 HD13 LEU 12 3HD1 LEU 12 93.058 62.460 19.640 76 HD21 LEU 12 3HD2 LEU 12 92.868 61.131 17.655 77 HD22 LEU 12 1HD2 LEU 12 93.915 59.767 18.046 78 HD23 LEU 12 2HD2 LEU 12 94.285 60.793 16.660 79 H ALA 13 H ALA 13 96.758 58.703 17.875 80 HA ALA 13 HA ALA 13 95.491 58.193 15.384 81 HB1 ALA 13 1HB ALA 13 97.620 56.587 14.844 82 HB2 ALA 13 2HB ALA 13 97.330 58.162 14.103 83 HB3 ALA 13 3HB ALA 13 98.414 58.025 15.488 84 H ASN 14 H ASN 14 94.152 56.593 15.869 85 HA ASN 14 HA ASN 14 94.760 54.789 18.061 86 HB2 ASN 14 1HB ASN 14 92.484 55.916 17.615 87 HB3 ASN 14 2HB ASN 14 92.279 54.701 16.356 88 HD21 ASN 14 2HD2 ASN 14 90.428 54.061 17.635 89 HD22 ASN 14 1HD2 ASN 14 90.654 52.991 18.972 90 H VAL 15 H VAL 15 94.581 52.479 17.869 91 HA VAL 15 HA VAL 15 95.850 51.493 15.474 92 HB VAL 15 HB VAL 15 94.930 49.982 17.924 93 HG11 VAL 15 1HG1 VAL 15 96.372 48.199 17.164 94 HG12 VAL 15 2HG1 VAL 15 95.202 48.588 15.902 95 HG13 VAL 15 3HG1 VAL 15 96.868 49.153 15.766 96 HG21 VAL 15 3HG2 VAL 15 97.668 51.030 17.206 97 HG22 VAL 15 1HG2 VAL 15 96.600 51.701 18.439 98 HG23 VAL 15 2HG2 VAL 15 97.260 50.077 18.633 99 HA PRO 16 HA PRO 16 92.118 50.284 13.430 100 HB2 PRO 16 1HB PRO 16 93.253 48.689 11.549 101 HB3 PRO 16 2HB PRO 16 93.324 50.453 11.482 102 HG2 PRO 16 1HG PRO 16 95.390 48.510 12.438 103 HG3 PRO 16 2HG PRO 16 95.594 49.954 11.429 104 HD2 PRO 16 1HD PRO 16 96.150 49.937 14.079 105 HD3 PRO 16 2HD PRO 16 95.544 51.379 13.240 106 H LEU 17 H LEU 17 91.320 48.053 12.436 107 HA LEU 17 HA LEU 17 91.869 45.931 14.402 108 HB2 LEU 17 1HB LEU 17 89.268 47.042 13.447 109 HB3 LEU 17 2HB LEU 17 89.367 45.342 13.905 110 HG LEU 17 HG LEU 17 88.508 46.696 15.734 111 HD11 LEU 17 1HD1 LEU 17 90.955 46.210 17.074 112 HD12 LEU 17 2HD1 LEU 17 90.747 44.953 15.855 113 HD13 LEU 17 3HD1 LEU 17 89.492 45.225 17.063 114 HD21 LEU 17 3HD2 LEU 17 90.084 48.679 14.875 115 HD22 LEU 17 1HD2 LEU 17 91.099 48.052 16.175 116 HD23 LEU 17 2HD2 LEU 17 89.457 48.596 16.522 117 H SER 18 H SER 18 93.155 44.689 13.103 118 HA SER 18 HA SER 18 92.636 44.148 10.375 119 HB2 SER 18 1HB SER 18 94.469 43.044 12.454 120 HB3 SER 18 2HB SER 18 94.212 42.095 10.990 121 HG SER 18 HG SER 18 95.031 44.813 11.059 122 H ARG 19 H ARG 19 92.593 41.640 9.757 123 HA ARG 19 HA ARG 19 90.457 40.335 11.296 124 HB2 ARG 19 1HB ARG 19 89.365 39.683 9.165 125 HB3 ARG 19 2HB ARG 19 89.351 41.419 9.443 126 HG2 ARG 19 1HG ARG 19 91.605 40.341 7.863 127 HG3 ARG 19 2HG ARG 19 90.011 40.327 7.106 128 HD2 ARG 19 1HD ARG 19 90.372 42.455 6.560 129 HD3 ARG 19 2HD ARG 19 90.190 42.836 8.271 130 HE ARG 19 HE ARG 19 92.843 42.030 7.730 131 HH11 ARG 19 1HH1 ARG 19 90.648 44.691 7.257 132 HH12 ARG 19 2HH1 ARG 19 91.901 45.886 7.207 133 HH21 ARG 19 1HH2 ARG 19 94.502 43.594 7.666 134 HH22 ARG 19 2HH2 ARG 19 94.093 45.261 7.439 135 H SER 20 H SER 20 93.362 39.898 11.093 136 HA SER 20 HA SER 20 93.550 37.366 9.651 137 HB2 SER 20 1HB SER 20 95.877 37.562 9.811 138 HB3 SER 20 2HB SER 20 95.352 39.239 9.657 139 HG SER 20 HG SER 20 96.917 38.595 11.419 140 H LYS 21 H LYS 21 94.633 35.525 10.758 141 HA LYS 21 HA LYS 21 94.490 35.390 13.627 142 HB2 LYS 21 1HB LYS 21 92.832 33.554 13.692 143 HB3 LYS 21 2HB LYS 21 92.138 35.073 13.138 144 HG2 LYS 21 1HG LYS 21 92.270 34.297 10.828 145 HG3 LYS 21 2HG LYS 21 92.974 32.775 11.379 146 HD2 LYS 21 1HD LYS 21 90.720 32.258 11.104 147 HD3 LYS 21 2HD LYS 21 90.855 32.577 12.835 148 HE2 LYS 21 1HE LYS 21 88.928 33.730 12.166 149 HE3 LYS 21 2HE LYS 21 90.176 34.971 12.271 150 HZ1 LYS 21 3HZ LYS 21 88.670 34.946 10.226 151 HZ2 LYS 21 1HZ LYS 21 89.588 33.621 9.712 152 HZ3 LYS 21 2HZ LYS 21 90.334 35.116 9.974 153 H ARG 22 H ARG 22 95.828 33.851 14.411 154 HA ARG 22 HA ARG 22 96.902 31.886 12.496 155 HB2 ARG 22 1HB ARG 22 98.318 33.660 14.452 156 HB3 ARG 22 2HB ARG 22 99.017 32.105 14.022 157 HG2 ARG 22 1HG ARG 22 98.789 32.848 11.601 158 HG3 ARG 22 2HG ARG 22 98.481 34.461 12.247 159 HD2 ARG 22 1HD ARG 22 100.624 34.460 13.367 160 HD3 ARG 22 2HD ARG 22 100.923 32.800 12.854 161 HE ARG 22 HE ARG 22 100.526 34.182 10.531 162 HH11 ARG 22 1HH1 ARG 22 102.682 34.482 13.248 163 HH12 ARG 22 2HH1 ARG 22 103.966 35.181 12.318 164 HH21 ARG 22 1HH2 ARG 22 102.210 35.101 9.296 165 HH22 ARG 22 2HH2 ARG 22 103.696 35.533 10.070 166 HA PRO 23 HA PRO 23 95.105 29.704 16.186 167 HB2 PRO 23 1HB PRO 23 93.799 27.820 14.731 168 HB3 PRO 23 2HB PRO 23 93.093 29.393 15.122 169 HG2 PRO 23 1HG PRO 23 94.420 28.486 12.596 170 HG3 PRO 23 2HG PRO 23 92.942 29.445 12.802 171 HD2 PRO 23 1HD PRO 23 95.330 30.563 12.185 172 HD3 PRO 23 2HD PRO 23 94.111 31.398 13.167 173 H ASP 24 H ASP 24 95.838 27.799 17.084 174 HA ASP 24 HA ASP 24 97.802 26.288 15.488 175 HB2 ASP 24 1HB ASP 24 98.734 27.702 17.370 176 HB3 ASP 24 2HB ASP 24 97.876 26.643 18.486 177 H PHE 25 H PHE 25 95.714 25.109 14.954 178 HA PHE 25 HA PHE 25 95.671 22.658 16.384 179 HB2 PHE 25 1HB PHE 25 93.196 22.812 16.984 180 HB3 PHE 25 2HB PHE 25 94.309 23.716 18.006 181 HD1 PHE 25 HD1 PHE 25 92.251 24.198 14.932 182 HD2 PHE 25 HD2 PHE 25 93.762 25.878 18.539 183 HE1 PHE 25 HE1 PHE 25 90.960 26.250 14.513 184 HE2 PHE 25 HE2 PHE 25 92.473 27.932 18.126 185 HZ PHE 25 HZ PHE 25 91.069 28.120 16.112 186 H GLY 26 H GLY 26 94.392 21.040 15.347 187 HA2 GLY 26 1HA GLY 26 93.572 21.823 12.619 188 HA3 GLY 26 2HA GLY 26 94.279 20.266 13.026 189 H GLN 27 H GLN 27 91.399 22.221 13.089 190 HA GLN 27 HA GLN 27 89.853 19.840 13.879 191 HB2 GLN 27 1HB GLN 27 89.861 22.004 15.354 192 HB3 GLN 27 2HB GLN 27 88.760 22.618 14.127 193 HG2 GLN 27 1HG GLN 27 87.527 21.703 15.990 194 HG3 GLN 27 2HG GLN 27 87.253 20.739 14.540 195 HE21 GLN 27 2HE2 GLN 27 86.518 19.305 16.402 196 HE22 GLN 27 1HE2 GLN 27 87.698 18.208 17.027 197 H ARG 28 H ARG 28 88.892 18.949 12.183 198 HA ARG 28 HA ARG 28 88.154 20.617 9.897 199 HB2 ARG 28 1HB ARG 28 88.524 17.662 10.293 200 HB3 ARG 28 2HB ARG 28 87.642 18.276 8.901 201 HG2 ARG 28 1HG ARG 28 90.433 19.152 9.587 202 HG3 ARG 28 2HG ARG 28 90.077 17.783 8.532 203 HD2 ARG 28 1HD ARG 28 89.090 19.146 6.906 204 HD3 ARG 28 2HD ARG 28 88.893 20.492 8.027 205 HE ARG 28 HE ARG 28 91.634 19.759 7.529 206 HH11 ARG 28 1HH1 ARG 28 88.933 21.694 6.488 207 HH12 ARG 28 2HH1 ARG 28 89.918 22.864 5.673 208 HH21 ARG 28 1HH2 ARG 28 92.941 21.292 6.459 209 HH22 ARG 28 2HH2 ARG 28 92.197 22.633 5.656 210 H ARG 29 H ARG 29 86.660 20.537 12.476 211 HA ARG 29 HA ARG 29 84.023 20.158 11.310 212 HB2 ARG 29 1HB ARG 29 85.147 18.488 13.489 213 HB3 ARG 29 2HB ARG 29 83.491 19.043 13.695 214 HG2 ARG 29 1HG ARG 29 84.244 17.811 11.100 215 HG3 ARG 29 2HG ARG 29 84.051 16.762 12.506 216 HD2 ARG 29 1HD ARG 29 81.906 16.749 11.733 217 HD3 ARG 29 2HD ARG 29 81.824 18.159 12.788 218 HE ARG 29 HE ARG 29 81.467 19.452 10.944 219 HH11 ARG 29 1HH1 ARG 29 82.874 16.432 9.934 220 HH12 ARG 29 2HH1 ARG 29 82.707 16.770 8.243 221 HH21 ARG 29 1HH2 ARG 29 81.242 19.909 8.720 222 HH22 ARG 29 2HH2 ARG 29 81.779 18.748 7.554 223 H ILE 30 H ILE 30 83.102 22.071 11.616 224 HA ILE 30 HA ILE 30 83.541 23.448 14.185 225 HB ILE 30 HB ILE 30 82.886 24.643 11.490 226 HG12 ILE 30 1HG1 ILE 30 85.372 24.636 13.203 227 HG13 ILE 30 2HG1 ILE 30 85.195 24.043 11.555 228 HG21 ILE 30 1HG2 ILE 30 83.064 26.812 12.598 229 HG22 ILE 30 2HG2 ILE 30 81.766 25.843 13.295 230 HG23 ILE 30 3HG2 ILE 30 83.301 26.005 14.148 231 HD11 ILE 30 3HD1 ILE 30 85.128 26.908 12.464 232 HD12 ILE 30 1HD1 ILE 30 86.390 26.114 11.523 233 HD13 ILE 30 2HD1 ILE 30 84.793 26.371 10.818 234 H ARG 31 H ARG 31 81.793 24.336 15.264 235 HA ARG 31 HA ARG 31 79.164 23.373 14.361 236 HB2 ARG 31 1HB ARG 31 79.649 22.402 16.458 237 HB3 ARG 31 2HB ARG 31 80.293 23.908 17.098 238 HG2 ARG 31 1HG ARG 31 78.236 24.747 17.584 239 HG3 ARG 31 2HG ARG 31 77.446 23.870 16.271 240 HD2 ARG 31 1HD ARG 31 78.484 22.629 18.816 241 HD3 ARG 31 2HD ARG 31 76.799 23.042 18.504 242 HE ARG 31 HE ARG 31 78.256 20.781 17.471 243 HH11 ARG 31 1HH1 ARG 31 75.513 22.882 17.046 244 HH12 ARG 31 2HH1 ARG 31 74.610 21.731 16.118 245 HH21 ARG 31 1HH2 ARG 31 77.078 19.257 16.250 246 HH22 ARG 31 2HH2 ARG 31 75.501 19.669 15.666 247 H ARG 32 H ARG 32 81.024 26.172 15.067 248 HA ARG 32 HA ARG 32 78.766 27.928 15.443 249 HB2 ARG 32 1HB ARG 32 81.716 28.185 15.458 250 HB3 ARG 32 2HB ARG 32 80.818 29.618 14.973 251 HG2 ARG 32 1HG ARG 32 79.669 29.706 17.046 252 HG3 ARG 32 2HG ARG 32 80.263 28.111 17.513 253 HD2 ARG 32 1HD ARG 32 81.462 29.939 18.650 254 HD3 ARG 32 2HD ARG 32 82.524 28.951 17.648 255 HE ARG 32 HE ARG 32 81.530 31.254 16.271 256 HH11 ARG 32 1HH1 ARG 32 83.956 30.110 18.491 257 HH12 ARG 32 2HH1 ARG 32 85.088 31.364 18.104 258 HH21 ARG 32 1HH2 ARG 32 83.012 32.910 15.753 259 HH22 ARG 32 2HH2 ARG 32 84.549 32.956 16.547 260 HA PRO 33 HA PRO 33 77.969 29.095 11.290 261 HB2 PRO 33 1HB PRO 33 77.536 31.766 11.503 262 HB3 PRO 33 2HB PRO 33 76.394 30.557 12.102 263 HG2 PRO 33 1HG PRO 33 78.444 32.135 13.607 264 HG3 PRO 33 2HG PRO 33 76.769 31.762 14.055 265 HD2 PRO 33 1HD PRO 33 78.884 30.405 15.064 266 HD3 PRO 33 2HD PRO 33 77.305 29.643 14.787 267 H PHE 34 H PHE 34 78.504 31.182 9.768 268 HA PHE 34 HA PHE 34 81.442 31.369 9.779 269 HB2 PHE 34 1HB PHE 34 79.474 30.858 7.660 270 HB3 PHE 34 2HB PHE 34 80.687 32.062 7.235 271 HD1 PHE 34 HD1 PHE 34 81.255 29.195 9.482 272 HD2 PHE 34 HD2 PHE 34 81.847 30.819 5.592 273 HE1 PHE 34 HE1 PHE 34 82.856 27.396 8.978 274 HE2 PHE 34 HE2 PHE 34 83.448 29.022 5.082 275 HZ PHE 34 HZ PHE 34 83.954 27.307 6.775 276 H THR 35 H THR 35 82.321 33.356 8.725 277 HA THR 35 HA THR 35 81.557 35.651 10.058 278 HB THR 35 HB THR 35 82.818 35.869 7.347 279 HG1 THR 35 HG1 THR 35 83.905 34.659 9.668 280 HG21 THR 35 3HG2 THR 35 84.321 37.377 8.908 281 HG22 THR 35 1HG2 THR 35 82.891 37.340 9.938 282 HG23 THR 35 2HG2 THR 35 82.775 37.961 8.291 283 H VAL 36 H VAL 36 80.577 37.619 9.327 284 HA VAL 36 HA VAL 36 78.070 37.340 8.190 285 HB VAL 36 HB VAL 36 78.593 39.289 9.501 286 HG11 VAL 36 1HG1 VAL 36 80.405 40.200 7.272 287 HG12 VAL 36 2HG1 VAL 36 80.127 40.997 8.822 288 HG13 VAL 36 3HG1 VAL 36 80.971 39.449 8.763 289 HG21 VAL 36 3HG2 VAL 36 77.310 40.785 8.343 290 HG22 VAL 36 1HG2 VAL 36 78.181 40.528 6.831 291 HG23 VAL 36 2HG2 VAL 36 77.006 39.336 7.385 292 H ALA 37 H ALA 37 81.121 38.254 6.650 293 HA ALA 37 HA ALA 37 79.974 38.757 4.089 294 HB1 ALA 37 1HB ALA 37 82.102 39.751 4.804 295 HB2 ALA 37 2HB ALA 37 82.842 38.150 4.796 296 HB3 ALA 37 3HB ALA 37 82.263 38.861 3.290 297 H GLU 38 H GLU 38 81.682 35.999 5.527 298 HA GLU 38 HA GLU 38 81.770 34.386 3.238 299 HB2 GLU 38 1HB GLU 38 82.401 34.126 6.004 300 HB3 GLU 38 2HB GLU 38 81.431 32.736 5.538 301 HG2 GLU 38 1HG GLU 38 83.866 33.632 4.024 302 HG3 GLU 38 2HG GLU 38 83.909 32.448 5.328 303 H VAL 39 H VAL 39 79.387 34.482 5.878 304 HA VAL 39 HA VAL 39 77.685 32.510 4.749 305 HB VAL 39 HB VAL 39 77.246 34.603 6.868 306 HG11 VAL 39 1HG1 VAL 39 75.282 32.645 5.709 307 HG12 VAL 39 2HG1 VAL 39 75.107 33.311 7.334 308 HG13 VAL 39 3HG1 VAL 39 75.095 34.384 5.934 309 HG21 VAL 39 3HG2 VAL 39 77.843 31.684 6.807 310 HG22 VAL 39 1HG2 VAL 39 78.521 32.954 7.826 311 HG23 VAL 39 2HG2 VAL 39 76.902 32.334 8.150 312 H GLU 40 H GLU 40 77.926 35.984 4.419 313 HA GLU 40 HA GLU 40 75.413 36.518 3.307 314 HB2 GLU 40 1HB GLU 40 78.030 37.869 3.412 315 HB3 GLU 40 2HB GLU 40 77.015 38.329 2.053 316 HG2 GLU 40 1HG GLU 40 75.232 38.966 3.551 317 HG3 GLU 40 2HG GLU 40 76.166 38.411 4.939 318 H LEU 41 H LEU 41 78.509 35.873 1.665 319 HA LEU 41 HA LEU 41 77.405 35.850 -0.941 320 HB2 LEU 41 1HB LEU 41 79.925 34.518 0.040 321 HB3 LEU 41 2HB LEU 41 79.524 34.889 -1.636 322 HG LEU 41 HG LEU 41 79.545 37.213 0.161 323 HD11 LEU 41 1HD1 LEU 41 81.401 35.843 1.080 324 HD12 LEU 41 2HD1 LEU 41 81.928 37.364 0.362 325 HD13 LEU 41 3HD1 LEU 41 82.145 35.852 -0.519 326 HD21 LEU 41 3HD2 LEU 41 80.695 36.549 -2.543 327 HD22 LEU 41 1HD2 LEU 41 80.880 38.115 -1.753 328 HD23 LEU 41 2HD2 LEU 41 79.274 37.532 -2.187 329 H LEU 42 H LEU 42 77.995 33.337 1.453 330 HA LEU 42 HA LEU 42 77.527 31.100 -0.170 331 HB2 LEU 42 1HB LEU 42 78.508 31.011 2.085 332 HB3 LEU 42 2HB LEU 42 76.940 31.434 2.769 333 HG LEU 42 HG LEU 42 77.240 28.969 1.096 334 HD11 LEU 42 1HD1 LEU 42 77.397 28.437 3.925 335 HD12 LEU 42 2HD1 LEU 42 78.763 29.411 3.383 336 HD13 LEU 42 3HD1 LEU 42 78.424 27.862 2.612 337 HD21 LEU 42 3HD2 LEU 42 75.283 30.129 2.983 338 HD22 LEU 42 1HD2 LEU 42 75.509 28.381 3.052 339 HD23 LEU 42 2HD2 LEU 42 75.028 29.149 1.539 340 H VAL 43 H VAL 43 75.265 32.404 2.261 341 HA VAL 43 HA VAL 43 73.010 31.047 1.401 342 HB VAL 43 HB VAL 43 73.102 33.799 2.646 343 HG11 VAL 43 1HG1 VAL 43 70.922 32.339 1.626 344 HG12 VAL 43 2HG1 VAL 43 70.826 32.234 3.385 345 HG13 VAL 43 3HG1 VAL 43 70.883 33.811 2.597 346 HG21 VAL 43 3HG2 VAL 43 72.645 31.207 4.086 347 HG22 VAL 43 1HG2 VAL 43 74.267 31.849 3.831 348 HG23 VAL 43 2HG2 VAL 43 73.086 32.779 4.752 349 H GLU 44 H GLU 44 74.229 34.212 0.375 350 HA GLU 44 HA GLU 44 72.077 34.907 -1.289 351 HB2 GLU 44 1HB GLU 44 73.737 36.543 -0.592 352 HB3 GLU 44 2HB GLU 44 74.993 35.681 -1.469 353 HG2 GLU 44 1HG GLU 44 74.228 36.378 -3.525 354 HG3 GLU 44 2HG GLU 44 72.597 36.685 -2.931 355 H ALA 45 H ALA 45 74.809 32.804 -1.774 356 HA ALA 45 HA ALA 45 74.583 32.661 -4.624 357 HB1 ALA 45 1HB ALA 45 76.003 30.887 -2.643 358 HB2 ALA 45 2HB ALA 45 76.123 30.725 -4.396 359 HB3 ALA 45 3HB ALA 45 76.705 32.190 -3.604 360 H VAL 46 H VAL 46 73.704 30.450 -1.971 361 HA VAL 46 HA VAL 46 72.432 28.560 -3.678 362 HB VAL 46 HB VAL 46 73.212 27.732 -1.601 363 HG11 VAL 46 1HG1 VAL 46 73.387 29.592 -0.207 364 HG12 VAL 46 2HG1 VAL 46 71.687 30.021 -0.408 365 HG13 VAL 46 3HG1 VAL 46 72.134 28.615 0.559 366 HG21 VAL 46 3HG2 VAL 46 70.240 27.933 -1.186 367 HG22 VAL 46 1HG2 VAL 46 70.959 26.928 -2.445 368 HG23 VAL 46 2HG2 VAL 46 71.319 26.608 -0.748 369 H GLU 47 H GLU 47 71.376 31.420 -1.979 370 HA GLU 47 HA GLU 47 68.582 30.906 -2.153 371 HB2 GLU 47 1HB GLU 47 69.324 32.465 -0.507 372 HB3 GLU 47 2HB GLU 47 70.173 33.429 -1.708 373 HG2 GLU 47 1HG GLU 47 67.227 33.072 -1.949 374 HG3 GLU 47 2HG GLU 47 67.870 34.202 -0.758 375 H HIS 48 H HIS 48 70.869 32.739 -4.139 376 HA HIS 48 HA HIS 48 69.078 33.897 -5.923 377 HB2 HIS 48 1HB HIS 48 71.566 34.329 -5.746 378 HB3 HIS 48 2HB HIS 48 71.810 32.853 -6.675 379 HD1 HIS 48 HD1 HIS 48 71.066 36.422 -7.030 380 HD2 HIS 48 HD2 HIS 48 70.761 33.003 -9.370 381 HE1 HIS 48 HE1 HIS 48 70.768 37.245 -9.387 382 H LEU 49 H LEU 49 70.132 30.614 -5.638 383 HA LEU 49 HA LEU 49 68.843 29.937 -8.192 384 HB2 LEU 49 1HB LEU 49 70.635 28.199 -6.508 385 HB3 LEU 49 2HB LEU 49 70.065 27.871 -8.143 386 HG LEU 49 HG LEU 49 71.656 30.337 -7.783 387 HD11 LEU 49 1HD1 LEU 49 73.765 28.969 -7.955 388 HD12 LEU 49 2HD1 LEU 49 72.806 27.578 -7.450 389 HD13 LEU 49 3HD1 LEU 49 72.976 28.968 -6.377 390 HD21 LEU 49 3HD2 LEU 49 72.507 29.724 -9.937 391 HD22 LEU 49 1HD2 LEU 49 70.755 29.518 -9.955 392 HD23 LEU 49 2HD2 LEU 49 71.807 28.110 -9.808 393 H GLY 50 H GLY 50 68.450 29.808 -4.821 394 HA2 GLY 50 1HA GLY 50 66.245 29.249 -3.979 395 HA3 GLY 50 2HA GLY 50 66.178 27.959 -5.169 396 H THR 51 H THR 51 66.919 25.970 -4.647 397 HA THR 51 HA THR 51 68.358 25.674 -2.097 398 HB THR 51 HB THR 51 66.134 23.837 -3.001 399 HG1 THR 51 HG1 THR 51 66.163 26.036 -1.210 400 HG21 THR 51 3HG2 THR 51 66.325 23.175 -0.522 401 HG22 THR 51 1HG2 THR 51 67.900 23.966 -0.574 402 HG23 THR 51 2HG2 THR 51 67.567 22.593 -1.630 403 H GLY 52 H GLY 52 67.521 24.274 -5.231 404 HA2 GLY 52 1HA GLY 52 69.512 22.186 -4.984 405 HA3 GLY 52 2HA GLY 52 68.492 22.498 -6.380 406 H ARG 53 H ARG 53 70.424 22.130 -7.647 407 HA ARG 53 HA ARG 53 72.167 22.843 -8.922 408 HB2 ARG 53 1HB ARG 53 71.582 25.644 -7.984 409 HB3 ARG 53 2HB ARG 53 72.262 25.128 -9.522 410 HG2 ARG 53 1HG ARG 53 69.859 23.883 -9.584 411 HG3 ARG 53 2HG ARG 53 69.465 25.338 -8.667 412 HD2 ARG 53 1HD ARG 53 70.737 26.586 -10.531 413 HD3 ARG 53 2HD ARG 53 70.542 25.096 -11.454 414 HE ARG 53 HE ARG 53 68.033 25.704 -10.529 415 HH11 ARG 53 1HH1 ARG 53 70.437 27.305 -12.471 416 HH12 ARG 53 2HH1 ARG 53 69.280 28.201 -13.398 417 HH21 ARG 53 1HH2 ARG 53 66.499 26.878 -11.742 418 HH22 ARG 53 2HH2 ARG 53 67.040 27.958 -12.982 419 H TRP 54 H TRP 54 72.974 21.826 -6.587 420 HA TRP 54 HA TRP 54 74.424 23.355 -4.811 421 HB2 TRP 54 1HB TRP 54 75.915 21.258 -4.635 422 HB3 TRP 54 2HB TRP 54 74.201 21.085 -4.267 423 HD1 TRP 54 HD1 TRP 54 72.768 19.518 -5.821 424 HE1 TRP 54 HE1 TRP 54 73.372 17.869 -7.702 425 HE3 TRP 54 HE3 TRP 54 77.620 20.924 -6.606 426 HZ2 TRP 54 HZ2 TRP 54 75.609 17.246 -9.307 427 HZ3 TRP 54 HZ3 TRP 54 78.923 19.750 -8.332 428 HH2 TRP 54 HH2 TRP 54 77.937 17.949 -9.653 429 H ARG 55 H ARG 55 75.224 22.445 -8.080 430 HA ARG 55 HA ARG 55 77.992 23.169 -7.900 431 HB2 ARG 55 1HB ARG 55 77.533 21.594 -9.573 432 HB3 ARG 55 2HB ARG 55 76.134 22.485 -10.157 433 HG2 ARG 55 1HG ARG 55 77.378 23.868 -11.453 434 HG3 ARG 55 2HG ARG 55 78.765 23.822 -10.363 435 HD2 ARG 55 1HD ARG 55 79.385 21.643 -11.147 436 HD3 ARG 55 2HD ARG 55 77.904 21.512 -12.095 437 HE ARG 55 HE ARG 55 80.319 22.785 -12.880 438 HH11 ARG 55 1HH1 ARG 55 76.855 22.998 -13.157 439 HH12 ARG 55 2HH1 ARG 55 76.896 23.824 -14.679 440 HH21 ARG 55 1HH2 ARG 55 80.387 23.874 -14.884 441 HH22 ARG 55 2HH2 ARG 55 78.906 24.322 -15.661 442 H ASP 56 H ASP 56 75.067 24.702 -9.190 443 HA ASP 56 HA ASP 56 76.239 26.985 -10.275 444 HB2 ASP 56 1HB ASP 56 73.513 26.595 -9.029 445 HB3 ASP 56 2HB ASP 56 73.987 28.045 -9.909 446 H VAL 57 H VAL 57 74.945 26.458 -7.005 447 HA VAL 57 HA VAL 57 75.592 29.048 -6.048 448 HB VAL 57 HB VAL 57 73.951 27.946 -4.800 449 HG11 VAL 57 1HG1 VAL 57 73.868 25.725 -5.020 450 HG12 VAL 57 2HG1 VAL 57 75.608 25.601 -5.286 451 HG13 VAL 57 3HG1 VAL 57 74.968 25.666 -3.643 452 HG21 VAL 57 3HG2 VAL 57 74.696 28.350 -2.708 453 HG22 VAL 57 1HG2 VAL 57 76.090 27.284 -2.886 454 HG23 VAL 57 2HG2 VAL 57 76.138 28.917 -3.550 455 H LYS 58 H LYS 58 77.318 25.992 -6.133 456 HA LYS 58 HA LYS 58 79.378 26.553 -4.341 457 HB2 LYS 58 1HB LYS 58 78.982 24.330 -5.323 458 HB3 LYS 58 2HB LYS 58 79.513 24.928 -6.889 459 HG2 LYS 58 1HG LYS 58 81.695 25.538 -5.585 460 HG3 LYS 58 2HG LYS 58 81.110 24.318 -4.451 461 HD2 LYS 58 1HD LYS 58 80.804 22.873 -6.602 462 HD3 LYS 58 2HD LYS 58 81.958 24.011 -7.302 463 HE2 LYS 58 1HE LYS 58 82.560 22.743 -4.667 464 HE3 LYS 58 2HE LYS 58 82.783 21.808 -6.145 465 HZ1 LYS 58 3HZ LYS 58 84.013 24.463 -5.639 466 HZ2 LYS 58 1HZ LYS 58 84.301 23.451 -6.964 467 HZ3 LYS 58 2HZ LYS 58 84.804 22.984 -5.418 468 H PHE 59 H PHE 59 79.121 27.262 -7.805 469 HA PHE 59 HA PHE 59 81.689 28.603 -7.816 470 HB2 PHE 59 1HB PHE 59 80.934 27.264 -9.764 471 HB3 PHE 59 2HB PHE 59 79.612 28.401 -10.006 472 HD1 PHE 59 HD1 PHE 59 80.134 30.768 -10.615 473 HD2 PHE 59 HD2 PHE 59 83.092 27.708 -10.582 474 HE1 PHE 59 HE1 PHE 59 81.591 32.166 -12.020 475 HE2 PHE 59 HE2 PHE 59 84.554 29.102 -11.986 476 HZ PHE 59 HZ PHE 59 83.805 31.334 -12.706 477 H ARG 60 H ARG 60 78.270 29.474 -8.171 478 HA ARG 60 HA ARG 60 78.505 32.171 -8.697 479 HB2 ARG 60 1HB ARG 60 76.371 30.924 -8.680 480 HB3 ARG 60 2HB ARG 60 76.440 30.855 -6.924 481 HG2 ARG 60 1HG ARG 60 75.074 32.646 -7.152 482 HG3 ARG 60 2HG ARG 60 76.626 33.485 -7.207 483 HD2 ARG 60 1HD ARG 60 75.263 32.496 -9.694 484 HD3 ARG 60 2HD ARG 60 74.893 34.072 -8.995 485 HE ARG 60 HE ARG 60 77.584 34.121 -9.206 486 HH11 ARG 60 1HH1 ARG 60 75.034 33.365 -11.453 487 HH12 ARG 60 2HH1 ARG 60 75.916 33.912 -12.840 488 HH21 ARG 60 1HH2 ARG 60 78.755 34.845 -11.025 489 HH22 ARG 60 2HH2 ARG 60 78.033 34.753 -12.595 490 H ALA 61 H ALA 61 78.697 30.502 -5.594 491 HA ALA 61 HA ALA 61 78.762 32.816 -3.969 492 HB1 ALA 61 1HB ALA 61 78.314 31.027 -2.659 493 HB2 ALA 61 2HB ALA 61 79.332 29.939 -3.604 494 HB3 ALA 61 3HB ALA 61 80.065 31.046 -2.443 495 H PHE 62 H PHE 62 81.471 30.576 -4.567 496 HA PHE 62 HA PHE 62 83.278 32.532 -5.469 497 HB2 PHE 62 1HB PHE 62 82.956 32.334 -2.575 498 HB3 PHE 62 2HB PHE 62 84.618 32.064 -3.089 499 HD1 PHE 62 HD2 PHE 62 85.305 33.825 -5.068 500 HD2 PHE 62 HD1 PHE 62 82.480 34.477 -1.952 501 HE1 PHE 62 HE2 PHE 62 85.632 36.254 -5.284 502 HE2 PHE 62 HE1 PHE 62 82.802 36.907 -2.163 503 HZ PHE 62 HZ PHE 62 84.381 37.798 -3.830 504 H GLU 63 H GLU 63 84.089 31.079 -6.881 505 HA GLU 63 HA GLU 63 84.659 28.375 -6.242 506 HB2 GLU 63 1HB GLU 63 85.908 28.412 -8.433 507 HB3 GLU 63 2HB GLU 63 84.220 28.895 -8.520 508 HG2 GLU 63 1HG GLU 63 86.152 31.076 -8.111 509 HG3 GLU 63 2HG GLU 63 86.238 30.250 -9.666 510 H ASN 64 H ASN 64 86.251 31.217 -5.460 511 HA ASN 64 HA ASN 64 88.957 30.366 -5.639 512 HB2 ASN 64 1HB ASN 64 87.526 32.593 -4.234 513 HB3 ASN 64 2HB ASN 64 89.208 32.256 -3.836 514 HD21 ASN 64 2HD2 ASN 64 89.654 34.373 -4.648 515 HD22 ASN 64 1HD2 ASN 64 89.814 34.633 -6.349 516 H VAL 65 H VAL 65 86.751 30.670 -2.852 517 HA VAL 65 HA VAL 65 88.452 29.545 -0.943 518 HB VAL 65 HB VAL 65 86.287 28.958 0.274 519 HG11 VAL 65 1HG1 VAL 65 85.711 31.410 0.582 520 HG12 VAL 65 2HG1 VAL 65 87.391 30.955 0.870 521 HG13 VAL 65 3HG1 VAL 65 86.937 31.748 -0.640 522 HG21 VAL 65 3HG2 VAL 65 85.115 29.013 -2.117 523 HG22 VAL 65 1HG2 VAL 65 84.245 29.390 -0.630 524 HG23 VAL 65 2HG2 VAL 65 84.849 30.693 -1.653 525 H HIS 66 H HIS 66 89.475 27.686 -1.571 526 HA HIS 66 HA HIS 66 88.191 25.491 -2.816 527 HB2 HIS 66 1HB HIS 66 90.631 25.901 -2.931 528 HB3 HIS 66 2HB HIS 66 90.761 25.512 -1.218 529 HD1 HIS 66 HD1 HIS 66 88.857 23.615 -3.901 530 HD2 HIS 66 HD2 HIS 66 92.034 23.114 -1.271 531 HE1 HIS 66 HE1 HIS 66 89.541 21.205 -4.123 532 H HIS 67 H HIS 67 88.756 26.373 0.526 533 HA HIS 67 HA HIS 67 88.175 23.886 1.710 534 HB2 HIS 67 1HB HIS 67 87.829 25.152 3.775 535 HB3 HIS 67 2HB HIS 67 89.261 25.728 2.927 536 HD1 HIS 67 HD1 HIS 67 86.345 26.944 4.589 537 HD2 HIS 67 HD2 HIS 67 88.564 28.160 1.294 538 HE1 HIS 67 HE1 HIS 67 85.749 29.361 4.232 539 H ARG 68 H ARG 68 86.182 26.110 0.099 540 HA ARG 68 HA ARG 68 83.758 25.120 1.419 541 HB2 ARG 68 1HB ARG 68 84.516 27.632 0.283 542 HB3 ARG 68 2HB ARG 68 83.132 27.010 -0.606 543 HG2 ARG 68 1HG ARG 68 82.356 28.399 1.183 544 HG3 ARG 68 2HG ARG 68 81.935 26.722 1.539 545 HD2 ARG 68 1HD ARG 68 84.534 27.353 2.597 546 HD3 ARG 68 2HD ARG 68 83.341 28.520 3.167 547 HE ARG 68 HE ARG 68 83.576 25.795 3.956 548 HH11 ARG 68 1HH1 ARG 68 81.275 28.348 3.401 549 HH12 ARG 68 2HH1 ARG 68 80.104 27.710 4.507 550 HH21 ARG 68 1HH2 ARG 68 82.043 24.945 5.415 551 HH22 ARG 68 2HH2 ARG 68 80.542 25.775 5.653 552 H THR 69 H THR 69 82.559 23.594 0.503 553 HA THR 69 HA THR 69 82.960 23.032 -2.363 554 HB THR 69 HB THR 69 81.927 21.010 -0.388 555 HG1 THR 69 HG1 THR 69 84.644 21.521 -1.093 556 HG21 THR 69 3HG2 THR 69 81.649 19.936 -2.343 557 HG22 THR 69 1HG2 THR 69 83.399 19.719 -2.302 558 HG23 THR 69 2HG2 THR 69 82.697 21.056 -3.214 559 H TYR 70 H TYR 70 81.093 22.149 -3.511 560 HA TYR 70 HA TYR 70 78.856 23.735 -3.407 561 HB2 TYR 70 1HB TYR 70 77.727 21.988 -4.760 562 HB3 TYR 70 2HB TYR 70 79.349 22.353 -5.338 563 HD1 TYR 70 HD2 TYR 70 81.206 20.751 -4.876 564 HD2 TYR 70 HD1 TYR 70 77.149 19.810 -4.004 565 HE1 TYR 70 HE2 TYR 70 81.793 18.366 -4.747 566 HE2 TYR 70 HE1 TYR 70 77.725 17.422 -3.871 567 HH TYR 70 HH TYR 70 79.443 15.896 -4.667 568 H VAL 71 H VAL 71 79.297 20.545 -1.914 569 HA VAL 71 HA VAL 71 76.697 20.372 -0.813 570 HB VAL 71 HB VAL 71 78.086 18.388 -1.086 571 HG11 VAL 71 1HG1 VAL 71 80.087 17.993 0.027 572 HG12 VAL 71 2HG1 VAL 71 80.208 19.697 -0.414 573 HG13 VAL 71 3HG1 VAL 71 79.776 19.240 1.234 574 HG21 VAL 71 3HG2 VAL 71 77.980 18.131 1.757 575 HG22 VAL 71 1HG2 VAL 71 76.589 19.065 1.207 576 HG23 VAL 71 2HG2 VAL 71 76.893 17.460 0.542 577 H ASP 72 H ASP 72 79.688 21.801 0.309 578 HA ASP 72 HA ASP 72 78.965 22.134 3.020 579 HB2 ASP 72 1HB ASP 72 80.847 23.849 1.387 580 HB3 ASP 72 2HB ASP 72 80.812 23.706 3.142 581 H LEU 73 H LEU 73 78.596 24.204 0.175 582 HA LEU 73 HA LEU 73 77.555 26.443 1.557 583 HB2 LEU 73 1HB LEU 73 77.024 25.671 -1.305 584 HB3 LEU 73 2HB LEU 73 76.922 27.282 -0.597 585 HG LEU 73 HG LEU 73 79.329 25.711 -1.406 586 HD11 LEU 73 1HD1 LEU 73 78.127 27.546 -2.761 587 HD12 LEU 73 2HD1 LEU 73 79.883 27.611 -2.617 588 HD13 LEU 73 3HD1 LEU 73 78.878 28.663 -1.621 589 HD21 LEU 73 3HD2 LEU 73 79.939 26.167 0.818 590 HD22 LEU 73 1HD2 LEU 73 79.191 27.764 0.784 591 HD23 LEU 73 2HD2 LEU 73 80.667 27.463 -0.134 592 H LYS 74 H LYS 74 75.978 23.803 -0.228 593 HA LYS 74 HA LYS 74 73.333 24.674 0.242 594 HB2 LYS 74 1HB LYS 74 74.089 23.012 -1.503 595 HB3 LYS 74 2HB LYS 74 74.223 21.825 -0.212 596 HG2 LYS 74 1HG LYS 74 71.647 23.260 -0.464 597 HG3 LYS 74 2HG LYS 74 72.046 22.076 -1.711 598 HD2 LYS 74 1HD LYS 74 72.643 20.578 0.368 599 HD3 LYS 74 2HD LYS 74 71.548 21.682 1.203 600 HE2 LYS 74 1HE LYS 74 70.011 21.164 -0.882 601 HE3 LYS 74 2HE LYS 74 70.988 19.698 -0.944 602 HZ1 LYS 74 3HZ LYS 74 70.344 19.167 1.288 603 HZ2 LYS 74 1HZ LYS 74 68.944 19.455 0.383 604 HZ3 LYS 74 2HZ LYS 74 69.512 20.631 1.458 605 H ASP 75 H ASP 75 75.437 22.400 1.956 606 HA ASP 75 HA ASP 75 73.494 21.594 3.860 607 HB2 ASP 75 1HB ASP 75 75.658 20.391 3.262 608 HB3 ASP 75 2HB ASP 75 76.481 21.569 4.280 609 H LYS 76 H LYS 76 75.923 24.144 3.791 610 HA LYS 76 HA LYS 76 75.743 24.935 6.480 611 HB2 LYS 76 1HB LYS 76 76.687 26.203 3.954 612 HB3 LYS 76 2HB LYS 76 76.417 27.247 5.344 613 HG2 LYS 76 1HG LYS 76 78.153 24.793 5.431 614 HG3 LYS 76 2HG LYS 76 78.760 26.410 5.064 615 HD2 LYS 76 1HD LYS 76 77.137 25.974 7.533 616 HD3 LYS 76 2HD LYS 76 78.835 25.491 7.514 617 HE2 LYS 76 1HE LYS 76 79.587 27.651 7.320 618 HE3 LYS 76 2HE LYS 76 78.110 28.209 6.534 619 HZ1 LYS 76 3HZ LYS 76 78.338 27.480 9.405 620 HZ2 LYS 76 1HZ LYS 76 76.962 28.095 8.635 621 HZ3 LYS 76 2HZ LYS 76 78.341 29.060 8.801 622 H TRP 77 H TRP 77 74.063 26.161 3.594 623 HA TRP 77 HA TRP 77 72.538 28.118 4.901 624 HB2 TRP 77 1HB TRP 77 72.753 28.141 2.496 625 HB3 TRP 77 2HB TRP 77 71.983 26.562 2.369 626 HD1 TRP 77 HD1 TRP 77 71.121 30.217 3.259 627 HE1 TRP 77 HE1 TRP 77 68.609 30.577 2.827 628 HE3 TRP 77 HE3 TRP 77 69.800 25.416 2.101 629 HZ2 TRP 77 HZ2 TRP 77 66.365 29.030 2.093 630 HZ3 TRP 77 HZ3 TRP 77 67.450 24.940 1.546 631 HH2 TRP 77 HH2 TRP 77 65.770 26.711 1.543 632 H LYS 78 H LYS 78 71.761 24.749 4.082 633 HA LYS 78 HA LYS 78 69.145 24.759 5.122 634 HB2 LYS 78 1HB LYS 78 69.978 23.024 3.594 635 HB3 LYS 78 2HB LYS 78 71.077 22.449 4.841 636 HG2 LYS 78 1HG LYS 78 69.290 20.961 4.917 637 HG3 LYS 78 2HG LYS 78 68.984 22.068 6.257 638 HD2 LYS 78 1HD LYS 78 67.816 22.743 3.611 639 HD3 LYS 78 2HD LYS 78 67.095 21.405 4.509 640 HE2 LYS 78 1HE LYS 78 67.231 23.175 6.486 641 HE3 LYS 78 2HE LYS 78 67.165 24.307 5.136 642 HZ1 LYS 78 3HZ LYS 78 64.990 23.447 6.244 643 HZ2 LYS 78 1HZ LYS 78 65.227 22.105 5.240 644 HZ3 LYS 78 2HZ LYS 78 65.065 23.648 4.566 645 H THR 79 H THR 79 72.234 23.766 6.570 646 HA THR 79 HA THR 79 71.226 22.918 9.039 647 HB THR 79 HB THR 79 73.930 24.135 8.446 648 HG1 THR 79 HG1 THR 79 74.539 21.900 8.311 649 HG21 THR 79 3HG2 THR 79 74.536 22.626 10.458 650 HG22 THR 79 1HG2 THR 79 72.816 22.706 10.836 651 HG23 THR 79 2HG2 THR 79 73.774 24.185 10.771 652 H LEU 80 H LEU 80 72.577 26.080 8.109 653 HA LEU 80 HA LEU 80 72.193 27.341 10.584 654 HB2 LEU 80 1HB LEU 80 73.017 29.165 9.572 655 HB3 LEU 80 2HB LEU 80 73.375 28.036 8.266 656 HG LEU 80 HG LEU 80 71.000 28.749 7.411 657 HD11 LEU 80 1HD1 LEU 80 71.363 30.471 9.654 658 HD12 LEU 80 2HD1 LEU 80 69.998 30.367 8.543 659 HD13 LEU 80 3HD1 LEU 80 71.350 31.440 8.180 660 HD21 LEU 80 3HD2 LEU 80 73.570 29.360 6.723 661 HD22 LEU 80 1HD2 LEU 80 72.865 30.959 6.964 662 HD23 LEU 80 2HD2 LEU 80 72.134 29.837 5.815 663 H VAL 81 H VAL 81 70.023 26.751 7.913 664 HA VAL 81 HA VAL 81 68.002 28.596 8.643 665 HB VAL 81 HB VAL 81 68.380 26.659 6.602 666 HG11 VAL 81 1HG1 VAL 81 66.975 25.143 7.873 667 HG12 VAL 81 2HG1 VAL 81 65.733 26.387 8.024 668 HG13 VAL 81 3HG1 VAL 81 66.117 25.710 6.441 669 HG21 VAL 81 3HG2 VAL 81 67.451 28.324 5.458 670 HG22 VAL 81 1HG2 VAL 81 65.933 28.142 6.337 671 HG23 VAL 81 2HG2 VAL 81 67.207 29.175 6.983 672 H HIS 82 H HIS 82 68.633 25.236 9.505 673 HA HIS 82 HA HIS 82 66.181 24.816 10.880 674 HB2 HIS 82 1HB HIS 82 68.012 23.121 9.990 675 HB3 HIS 82 2HB HIS 82 68.645 23.301 11.623 676 HD1 HIS 82 HD1 HIS 82 65.167 22.706 10.172 677 HD2 HIS 82 HD2 HIS 82 67.676 21.336 13.186 678 HE1 HIS 82 HE1 HIS 82 63.873 20.904 11.356 679 H THR 83 H THR 83 69.427 25.777 11.909 680 HA THR 83 HA THR 83 68.754 25.868 14.690 681 HB THR 83 HB THR 83 71.106 27.106 13.246 682 HG1 THR 83 HG1 THR 83 72.155 25.220 13.720 683 HG21 THR 83 3HG2 THR 83 70.244 27.113 16.043 684 HG22 THR 83 1HG2 THR 83 71.416 28.139 15.217 685 HG23 THR 83 2HG2 THR 83 71.898 26.549 15.809 686 H ALA 84 H ALA 84 68.648 28.109 12.030 687 HA ALA 84 HA ALA 84 68.277 30.417 13.746 688 HB1 ALA 84 1HB ALA 84 68.104 31.686 11.680 689 HB2 ALA 84 2HB ALA 84 69.521 30.637 11.645 690 HB3 ALA 84 3HB ALA 84 68.071 30.190 10.746 691 H SER 85 H SER 85 66.347 27.947 12.571 692 HA SER 85 HA SER 85 63.927 29.607 12.535 693 HB2 SER 85 1HB SER 85 62.822 27.723 11.467 694 HB3 SER 85 2HB SER 85 64.320 28.082 10.607 695 HG SER 85 HG SER 85 65.148 26.386 12.247 696 H ILE 86 H ILE 86 65.460 26.918 14.186 697 HA ILE 86 HA ILE 86 63.365 25.959 15.716 698 HB ILE 86 HB ILE 86 65.129 25.404 17.443 699 HG12 ILE 86 1HG1 ILE 86 67.003 26.546 15.362 700 HG13 ILE 86 2HG1 ILE 86 66.592 27.359 16.867 701 HG21 ILE 86 1HG2 ILE 86 66.429 24.275 15.187 702 HG22 ILE 86 2HG2 ILE 86 65.245 23.532 16.261 703 HG23 ILE 86 3HG2 ILE 86 64.708 24.400 14.823 704 HD11 ILE 86 3HD1 ILE 86 67.441 25.215 18.002 705 HD12 ILE 86 1HD1 ILE 86 68.199 24.877 16.446 706 HD13 ILE 86 2HD1 ILE 86 68.617 26.345 17.331 707 H ALA 87 H ALA 87 63.327 26.226 18.217 708 HA ALA 87 HA ALA 87 62.244 28.686 18.850 709 HB1 ALA 87 1HB ALA 87 63.107 26.323 20.349 710 HB2 ALA 87 2HB ALA 87 63.102 27.818 21.285 711 HB3 ALA 87 3HB ALA 87 61.629 27.276 20.480 712 HA PRO 88 HA PRO 88 65.514 31.502 19.640 713 HB2 PRO 88 1HB PRO 88 64.599 32.858 21.806 714 HB3 PRO 88 2HB PRO 88 63.913 33.055 20.189 715 HG2 PRO 88 1HG PRO 88 62.916 31.409 22.482 716 HG3 PRO 88 2HG PRO 88 62.004 32.444 21.368 717 HD2 PRO 88 1HD PRO 88 62.108 29.752 21.100 718 HD3 PRO 88 2HD PRO 88 61.974 30.846 19.708 719 H GLN 89 H GLN 89 64.426 29.557 22.365 720 HA GLN 89 HA GLN 89 66.517 30.126 24.147 721 HB2 GLN 89 1HB GLN 89 65.896 28.029 25.263 722 HB3 GLN 89 2HB GLN 89 64.479 28.987 24.853 723 HG2 GLN 89 1HG GLN 89 64.515 27.487 22.688 724 HG3 GLN 89 2HG GLN 89 65.403 26.393 23.747 725 HE21 GLN 89 2HE2 GLN 89 63.441 25.084 23.228 726 HE22 GLN 89 1HE2 GLN 89 62.080 25.245 24.280 727 H GLN 90 H GLN 90 66.492 28.360 21.231 728 HA GLN 90 HA GLN 90 69.146 27.246 21.864 729 HB2 GLN 90 1HB GLN 90 67.295 26.087 19.793 730 HB3 GLN 90 2HB GLN 90 68.709 25.346 20.532 731 HG2 GLN 90 1HG GLN 90 66.111 25.950 21.927 732 HG3 GLN 90 2HG GLN 90 66.634 24.367 21.354 733 HE21 GLN 90 2HE2 GLN 90 66.030 24.289 23.840 734 HE22 GLN 90 1HE2 GLN 90 67.401 24.348 24.888 735 H ARG 91 H ARG 91 68.162 29.836 20.600 736 HA ARG 91 HA ARG 91 69.177 29.630 17.887 737 HB2 ARG 91 1HB ARG 91 68.384 31.819 17.556 738 HB3 ARG 91 2HB ARG 91 67.193 31.069 18.609 739 HG2 ARG 91 1HG ARG 91 67.415 32.916 19.841 740 HG3 ARG 91 2HG ARG 91 68.909 32.170 20.414 741 HD2 ARG 91 1HD ARG 91 70.230 33.561 19.198 742 HD3 ARG 91 2HD ARG 91 69.062 33.694 17.883 743 HE ARG 91 HE ARG 91 69.277 35.395 20.198 744 HH11 ARG 91 1HH1 ARG 91 67.203 34.248 17.647 745 HH12 ARG 91 2HH1 ARG 91 66.154 35.625 17.704 746 HH21 ARG 91 1HH2 ARG 91 67.902 37.213 20.282 747 HH22 ARG 91 2HH2 ARG 91 66.553 37.311 19.202 748 H ARG 92 H ARG 92 70.699 29.598 20.680 749 HA ARG 92 HA ARG 92 72.482 31.701 20.800 750 HB2 ARG 92 1HB ARG 92 73.900 30.294 22.095 751 HB3 ARG 92 2HB ARG 92 72.248 29.803 22.442 752 HG2 ARG 92 1HG ARG 92 72.512 27.940 20.832 753 HG3 ARG 92 2HG ARG 92 74.203 28.403 20.632 754 HD2 ARG 92 1HD ARG 92 73.883 26.549 22.238 755 HD3 ARG 92 2HD ARG 92 74.649 27.965 22.956 756 HE ARG 92 HE ARG 92 71.851 28.073 23.334 757 HH11 ARG 92 1HH1 ARG 92 74.695 26.402 24.448 758 HH12 ARG 92 2HH1 ARG 92 74.041 26.064 26.016 759 HH21 ARG 92 1HH2 ARG 92 70.979 27.633 25.395 760 HH22 ARG 92 2HH2 ARG 92 71.926 26.763 26.553 761 H GLY 93 H GLY 93 74.871 31.591 20.289 762 HA2 GLY 93 1HA GLY 93 76.249 30.144 18.539 763 HA3 GLY 93 2HA GLY 93 75.143 30.971 17.453 764 H ALA 94 H ALA 94 77.125 31.835 16.505 765 HA ALA 94 HA ALA 94 78.797 33.603 17.988 766 HB1 ALA 94 1HB ALA 94 80.059 33.676 16.132 767 HB2 ALA 94 2HB ALA 94 79.030 32.347 15.595 768 HB3 ALA 94 3HB ALA 94 78.678 33.998 15.082 769 HA PRO 95 HA PRO 95 76.610 37.405 17.854 770 HB2 PRO 95 1HB PRO 95 78.592 39.196 17.372 771 HB3 PRO 95 2HB PRO 95 78.406 38.363 18.920 772 HG2 PRO 95 1HG PRO 95 80.252 37.744 16.646 773 HG3 PRO 95 2HG PRO 95 80.584 37.747 18.388 774 HD2 PRO 95 1HD PRO 95 80.120 35.471 16.997 775 HD3 PRO 95 2HD PRO 95 79.648 35.664 18.698 776 H VAL 96 H VAL 96 75.518 36.696 15.825 777 HA VAL 96 HA VAL 96 76.418 38.295 13.516 778 HB VAL 96 HB VAL 96 75.027 36.679 12.143 779 HG11 VAL 96 1HG1 VAL 96 77.335 35.342 13.527 780 HG12 VAL 96 2HG1 VAL 96 76.825 35.193 11.844 781 HG13 VAL 96 3HG1 VAL 96 77.558 36.693 12.416 782 HG21 VAL 96 3HG2 VAL 96 75.347 34.491 14.000 783 HG22 VAL 96 1HG2 VAL 96 74.288 35.739 14.657 784 HG23 VAL 96 2HG2 VAL 96 73.920 35.000 13.099 785 HA PRO 97 HA PRO 97 72.685 40.603 13.768 786 HB2 PRO 97 1HB PRO 97 72.404 41.326 11.166 787 HB3 PRO 97 2HB PRO 97 73.627 42.028 12.232 788 HG2 PRO 97 1HG PRO 97 73.913 39.853 10.195 789 HG3 PRO 97 2HG PRO 97 74.988 41.224 10.527 790 HD2 PRO 97 1HD PRO 97 75.488 38.725 11.442 791 HD3 PRO 97 2HD PRO 97 75.963 40.183 12.337 792 H GLN 98 H GLN 98 70.540 40.212 13.692 793 HA GLN 98 HA GLN 98 69.495 37.751 13.013 794 HB2 GLN 98 1HB GLN 98 67.316 38.713 13.301 795 HB3 GLN 98 2HB GLN 98 68.400 39.469 14.461 796 HG2 GLN 98 1HG GLN 98 68.644 41.370 12.841 797 HG3 GLN 98 2HG GLN 98 67.344 40.636 11.902 798 HE21 GLN 98 2HE2 GLN 98 65.260 40.509 12.821 799 HE22 GLN 98 1HE2 GLN 98 64.782 41.569 14.099 800 H GLU 99 H GLU 99 70.088 40.509 10.989 801 HA GLU 99 HA GLU 99 68.384 40.100 8.865 802 HB2 GLU 99 1HB GLU 99 69.911 41.332 7.521 803 HB3 GLU 99 2HB GLU 99 70.044 41.975 9.152 804 HG2 GLU 99 1HG GLU 99 71.996 40.220 9.325 805 HG3 GLU 99 2HG GLU 99 71.995 40.391 7.570 806 H LEU 100 H LEU 100 71.279 38.330 9.729 807 HA LEU 100 HA LEU 100 71.652 36.942 7.309 808 HB2 LEU 100 1HB LEU 100 72.302 36.000 10.097 809 HB3 LEU 100 2HB LEU 100 73.000 35.395 8.595 810 HG LEU 100 HG LEU 100 73.528 37.972 10.025 811 HD11 LEU 100 1HD1 LEU 100 75.493 36.173 8.661 812 HD12 LEU 100 2HD1 LEU 100 74.864 35.778 10.260 813 HD13 LEU 100 3HD1 LEU 100 75.743 37.285 10.007 814 HD21 LEU 100 3HD2 LEU 100 74.762 38.724 8.007 815 HD22 LEU 100 1HD2 LEU 100 73.012 38.687 7.790 816 HD23 LEU 100 2HD2 LEU 100 74.013 37.408 7.103 817 H LEU 101 H LEU 101 69.864 36.079 10.254 818 HA LEU 101 HA LEU 101 68.959 33.575 9.217 819 HB2 LEU 101 1HB LEU 101 67.873 35.198 11.514 820 HB3 LEU 101 2HB LEU 101 67.533 33.500 11.187 821 HG LEU 101 HG LEU 101 69.102 33.237 12.804 822 HD11 LEU 101 1HD1 LEU 101 71.111 33.773 10.652 823 HD12 LEU 101 2HD1 LEU 101 69.975 32.432 10.514 824 HD13 LEU 101 3HD1 LEU 101 71.095 32.502 11.874 825 HD21 LEU 101 3HD2 LEU 101 70.735 35.588 11.911 826 HD22 LEU 101 1HD2 LEU 101 70.691 34.802 13.489 827 HD23 LEU 101 2HD2 LEU 101 69.328 35.787 12.956 828 H ASP 102 H ASP 102 67.846 36.844 9.048 829 HA ASP 102 HA ASP 102 65.123 36.301 8.439 830 HB2 ASP 102 1HB ASP 102 65.869 38.499 9.245 831 HB3 ASP 102 2HB ASP 102 66.806 38.726 7.771 832 H ARG 103 H ARG 103 68.025 36.765 6.483 833 HA ARG 103 HA ARG 103 66.622 36.643 3.986 834 HB2 ARG 103 1HB ARG 103 68.903 36.493 3.002 835 HB3 ARG 103 2HB ARG 103 68.698 37.862 4.087 836 HG2 ARG 103 1HG ARG 103 69.839 36.626 5.862 837 HG3 ARG 103 2HG ARG 103 70.050 35.259 4.766 838 HD2 ARG 103 1HD ARG 103 72.050 36.752 4.995 839 HD3 ARG 103 2HD ARG 103 71.481 36.518 3.343 840 HE ARG 103 HE ARG 103 70.419 38.860 4.643 841 HH11 ARG 103 1HH1 ARG 103 73.017 37.553 2.729 842 HH12 ARG 103 2HH1 ARG 103 73.476 39.087 2.069 843 HH21 ARG 103 1HH2 ARG 103 71.015 40.886 3.781 844 HH22 ARG 103 2HH2 ARG 103 72.338 40.983 2.669 845 H VAL 104 H VAL 104 68.555 34.383 5.908 846 HA VAL 104 HA VAL 104 68.505 32.252 4.053 847 HB VAL 104 HB VAL 104 68.760 32.086 7.059 848 HG11 VAL 104 1HG1 VAL 104 68.465 30.050 5.200 849 HG12 VAL 104 2HG1 VAL 104 70.204 30.124 5.493 850 HG13 VAL 104 3HG1 VAL 104 69.091 29.894 6.842 851 HG21 VAL 104 3HG2 VAL 104 70.840 32.871 6.905 852 HG22 VAL 104 1HG2 VAL 104 71.208 31.816 5.541 853 HG23 VAL 104 2HG2 VAL 104 70.442 33.380 5.265 854 H LEU 105 H LEU 105 66.458 33.013 6.853 855 HA LEU 105 HA LEU 105 64.807 30.723 6.620 856 HB2 LEU 105 1HB LEU 105 64.423 33.386 7.962 857 HB3 LEU 105 2HB LEU 105 63.218 32.103 8.032 858 HG LEU 105 HG LEU 105 66.037 31.920 9.094 859 HD11 LEU 105 1HD1 LEU 105 65.246 32.998 10.865 860 HD12 LEU 105 2HD1 LEU 105 64.190 31.616 11.153 861 HD13 LEU 105 3HD1 LEU 105 63.606 32.991 10.216 862 HD21 LEU 105 3HD2 LEU 105 65.297 29.756 8.399 863 HD22 LEU 105 1HD2 LEU 105 63.719 29.995 9.149 864 HD23 LEU 105 2HD2 LEU 105 65.159 29.837 10.156 865 H ALA 106 H ALA 106 64.321 34.110 5.634 866 HA ALA 106 HA ALA 106 61.803 33.919 4.534 867 HB1 ALA 106 1HB ALA 106 62.606 35.764 2.966 868 HB2 ALA 106 2HB ALA 106 62.732 36.065 4.699 869 HB3 ALA 106 3HB ALA 106 64.165 35.611 3.777 870 H ALA 107 H ALA 107 64.911 33.377 2.881 871 HA ALA 107 HA ALA 107 63.833 32.705 0.376 872 HB1 ALA 107 1HB ALA 107 66.138 33.282 0.527 873 HB2 ALA 107 2HB ALA 107 66.455 31.971 1.664 874 HB3 ALA 107 3HB ALA 107 66.051 31.605 -0.013 875 H GLN 108 H GLN 108 64.760 30.674 3.136 876 HA GLN 108 HA GLN 108 64.364 28.174 2.014 877 HB2 GLN 108 1HB GLN 108 65.295 28.711 4.305 878 HB3 GLN 108 2HB GLN 108 63.634 28.896 4.852 879 HG2 GLN 108 1HG GLN 108 64.489 26.380 3.493 880 HG3 GLN 108 2HG GLN 108 64.867 26.645 5.195 881 HE21 GLN 108 2HE2 GLN 108 62.929 27.411 6.506 882 HE22 GLN 108 1HE2 GLN 108 61.443 26.576 6.222 883 H ALA 109 H ALA 109 61.999 30.275 3.626 884 HA ALA 109 HA ALA 109 59.820 28.465 3.256 885 HB1 ALA 109 1HB ALA 109 60.203 30.562 4.888 886 HB2 ALA 109 2HB ALA 109 59.233 31.333 3.632 887 HB3 ALA 109 3HB ALA 109 58.609 29.922 4.486 888 H TYR 110 H TYR 110 60.808 31.486 1.657 889 HA TYR 110 HA TYR 110 58.733 31.718 -0.159 890 HB2 TYR 110 1HB TYR 110 61.595 32.579 -0.166 891 HB3 TYR 110 2HB TYR 110 60.658 32.750 -1.646 892 HD1 TYR 110 HD2 TYR 110 58.068 33.622 -0.839 893 HD2 TYR 110 HD1 TYR 110 61.837 34.629 0.860 894 HE1 TYR 110 HE2 TYR 110 57.120 35.729 0.002 895 HE2 TYR 110 HE1 TYR 110 60.898 36.739 1.706 896 HH TYR 110 HH TYR 110 59.132 38.171 1.528 897 H TRP 111 H TRP 111 61.737 29.864 -0.441 898 HA TRP 111 HA TRP 111 61.073 28.894 -3.071 899 HB2 TRP 111 1HB TRP 111 63.257 28.098 -1.135 900 HB3 TRP 111 2HB TRP 111 63.106 27.481 -2.777 901 HD1 TRP 111 HD1 TRP 111 65.178 29.779 -1.089 902 HE1 TRP 111 HE1 TRP 111 65.979 31.713 -2.586 903 HE3 TRP 111 HE3 TRP 111 61.792 29.318 -4.891 904 HZ2 TRP 111 HZ2 TRP 111 65.270 32.888 -5.052 905 HZ3 TRP 111 HZ3 TRP 111 61.921 30.888 -6.782 906 HH2 TRP 111 HH2 TRP 111 63.625 32.635 -6.859 907 H SER 112 H SER 112 60.377 27.979 0.146 908 HA SER 112 HA SER 112 60.186 25.217 0.007 909 HB2 SER 112 1HB SER 112 59.016 25.335 1.988 910 HB3 SER 112 2HB SER 112 59.719 26.953 1.963 911 HG SER 112 HG SER 112 57.414 26.860 2.400 912 H VAL 113 H VAL 113 58.929 23.847 -1.073 913 HA VAL 113 HA VAL 113 56.847 24.894 -2.800 914 HB VAL 113 HB VAL 113 57.884 22.073 -2.493 915 HG11 VAL 113 1HG1 VAL 113 55.904 23.314 -4.377 916 HG12 VAL 113 2HG1 VAL 113 56.791 21.847 -4.794 917 HG13 VAL 113 3HG1 VAL 113 55.728 21.866 -3.386 918 HG21 VAL 113 3HG2 VAL 113 58.726 24.398 -4.123 919 HG22 VAL 113 1HG2 VAL 113 59.680 23.071 -3.459 920 HG23 VAL 113 2HG2 VAL 113 58.718 22.823 -4.917 921 H ASP 114 H ASP 114 56.920 21.965 -0.775 922 HA ASP 114 HA ASP 114 54.202 22.640 0.141 923 HB2 ASP 114 1HB ASP 114 54.357 20.739 -1.550 924 HB3 ASP 114 2HB ASP 114 55.189 19.823 -0.296 925 H SER 115 H SER 115 53.652 22.049 2.259 926 HA SER 115 HA SER 115 55.947 21.840 4.040 927 HB2 SER 115 1HB SER 115 54.527 22.617 5.764 928 HB3 SER 115 2HB SER 115 54.027 23.519 4.334 929 HG SER 115 HG SER 115 52.127 22.783 4.888 930 H SER 116 H SER 116 56.612 19.925 4.719 931 HA SER 116 HA SER 116 54.638 17.750 4.964 932 HB2 SER 116 1HB SER 116 57.600 17.297 4.695 933 HB3 SER 116 2HB SER 116 56.276 16.190 4.335 934 HG SER 116 HG SER 116 57.487 17.982 2.723 935 H GLY 117 H GLY 117 54.791 16.333 6.750 936 HA2 GLY 117 1HA GLY 117 55.432 17.602 9.201 937 HA3 GLY 117 2HA GLY 117 54.972 15.918 9.003 938 H ARG 118 H ARG 118 56.898 16.828 10.849 939 HA ARG 118 HA ARG 118 59.490 16.158 9.702 940 HB2 ARG 118 1HB ARG 118 58.921 18.004 11.503 941 HB3 ARG 118 2HB ARG 118 59.085 16.656 12.620 942 HG2 ARG 118 1HG ARG 118 61.330 16.446 12.260 943 HG3 ARG 118 2HG ARG 118 61.241 17.104 10.625 944 HD2 ARG 118 1HD ARG 118 60.787 18.747 13.107 945 HD3 ARG 118 2HD ARG 118 62.360 18.578 12.329 946 HE ARG 118 HE ARG 118 60.659 19.392 10.339 947 HH11 ARG 118 1HH1 ARG 118 61.640 20.622 13.444 948 HH12 ARG 118 2HH1 ARG 118 61.433 22.283 12.997 949 HH21 ARG 118 1HH2 ARG 118 60.383 21.575 9.738 950 HH22 ARG 118 2HH2 ARG 118 60.717 22.824 10.889 951 H ILE 119 H ILE 119 60.905 14.665 11.050 952 HA ILE 119 HA ILE 119 59.776 12.093 11.072 953 HB ILE 119 HB ILE 119 62.294 12.965 12.491 954 HG12 ILE 119 1HG1 ILE 119 62.304 13.657 10.129 955 HG13 ILE 119 2HG1 ILE 119 63.470 12.372 10.427 956 HG21 ILE 119 1HG2 ILE 119 62.318 10.840 13.162 957 HG22 ILE 119 2HG2 ILE 119 60.983 10.409 12.094 958 HG23 ILE 119 3HG2 ILE 119 62.636 10.416 11.480 959 HD11 ILE 119 3HD1 ILE 119 60.758 12.071 9.161 960 HD12 ILE 119 1HD1 ILE 119 62.319 11.991 8.346 961 HD13 ILE 119 2HD1 ILE 119 61.869 10.747 9.514 962 H VAL 120 H VAL 120 59.975 14.547 13.505 963 HA VAL 120 HA VAL 120 59.321 14.645 15.688 964 HB VAL 120 HB VAL 120 57.444 12.382 15.034 965 HG11 VAL 120 1HG1 VAL 120 56.275 14.493 16.531 966 HG12 VAL 120 2HG1 VAL 120 56.591 12.831 17.033 967 HG13 VAL 120 3HG1 VAL 120 57.816 14.076 17.280 968 HG21 VAL 120 3HG2 VAL 120 56.759 13.645 13.304 969 HG22 VAL 120 1HG2 VAL 120 55.989 14.624 14.553 970 HG23 VAL 120 2HG2 VAL 120 57.563 15.092 13.911 971 H THR 121 H THR 121 61.620 13.287 15.532 972 HA THR 121 HA THR 121 61.345 10.738 16.911 973 HB THR 121 HB THR 121 63.024 10.917 15.132 974 HG1 THR 121 HG1 THR 121 63.346 9.630 17.159 975 HG21 THR 121 3HG2 THR 121 65.098 12.252 15.605 976 HG22 THR 121 1HG2 THR 121 64.220 13.030 16.922 977 HG23 THR 121 2HG2 THR 121 63.663 13.217 15.259 978 H LEU 122 H LEU 122 62.081 14.052 17.597 979 HA LEU 122 HA LEU 122 63.551 13.840 19.944 980 HB2 LEU 122 1HB LEU 122 63.169 15.954 18.823 981 HB3 LEU 122 2HB LEU 122 61.448 15.865 19.192 982 HG LEU 122 HG LEU 122 62.356 15.818 21.680 983 HD11 LEU 122 1HD1 LEU 122 64.740 16.006 20.446 984 HD12 LEU 122 2HD1 LEU 122 64.418 16.639 22.060 985 HD13 LEU 122 3HD1 LEU 122 64.365 17.716 20.664 986 HD21 LEU 122 3HD2 LEU 122 61.003 17.581 20.195 987 HD22 LEU 122 1HD2 LEU 122 62.478 18.510 20.463 988 HD23 LEU 122 2HD2 LEU 122 61.543 17.926 21.839 Start of MODEL 9 1 H1 GLY 1 H GLY 1 130.586 -23.883 -22.731 2 HA2 GLY 1 1HA GLY 1 129.441 -22.611 -24.710 3 HA3 GLY 1 2HA GLY 1 128.760 -24.205 -25.003 4 H SER 2 H SER 2 128.281 -21.285 -23.487 5 HA SER 2 HA SER 2 126.062 -22.400 -21.938 6 HB2 SER 2 1HB SER 2 128.365 -20.850 -20.858 7 HB3 SER 2 2HB SER 2 126.766 -20.489 -20.209 8 HG SER 2 HG SER 2 128.262 -22.855 -20.061 9 HA PRO 3 HA PRO 3 123.722 -19.030 -23.488 10 HB2 PRO 3 1HB PRO 3 122.114 -18.416 -21.388 11 HB3 PRO 3 2HB PRO 3 121.916 -19.884 -22.352 12 HG2 PRO 3 1HG PRO 3 123.251 -19.528 -19.697 13 HG3 PRO 3 2HG PRO 3 122.162 -20.819 -20.237 14 HD2 PRO 3 1HD PRO 3 124.851 -21.124 -20.150 15 HD3 PRO 3 2HD PRO 3 123.836 -21.935 -21.361 16 H PHE 4 H PHE 4 123.649 -16.808 -23.590 17 HA PHE 4 HA PHE 4 124.333 -15.073 -21.468 18 HB2 PHE 4 1HB PHE 4 126.517 -14.338 -22.090 19 HB3 PHE 4 2HB PHE 4 126.584 -16.095 -21.987 20 HD1 PHE 4 HD1 PHE 4 126.483 -17.433 -24.116 21 HD2 PHE 4 HD2 PHE 4 127.075 -13.219 -24.067 22 HE1 PHE 4 HE1 PHE 4 127.369 -17.534 -26.409 23 HE2 PHE 4 HE2 PHE 4 127.962 -13.313 -26.360 24 HZ PHE 4 HZ PHE 4 128.109 -15.472 -27.535 25 H ALA 5 H ALA 5 124.271 -12.841 -22.080 26 HA ALA 5 HA ALA 5 123.379 -11.078 -23.211 27 HB1 ALA 5 1HB ALA 5 125.336 -11.820 -24.715 28 HB2 ALA 5 2HB ALA 5 124.078 -12.438 -25.786 29 HB3 ALA 5 3HB ALA 5 124.127 -10.722 -25.382 30 H ASP 6 H ASP 6 121.562 -13.082 -22.468 31 HA ASP 6 HA ASP 6 119.811 -13.668 -24.673 32 HB2 ASP 6 1HB ASP 6 119.823 -14.197 -21.743 33 HB3 ASP 6 2HB ASP 6 118.268 -14.231 -22.570 34 HA PRO 7 HA PRO 7 117.190 -10.153 -24.651 35 HB2 PRO 7 1HB PRO 7 114.732 -11.248 -25.004 36 HB3 PRO 7 2HB PRO 7 115.948 -11.184 -26.285 37 HG2 PRO 7 1HG PRO 7 115.217 -13.457 -24.479 38 HG3 PRO 7 2HG PRO 7 115.547 -13.474 -26.221 39 HD2 PRO 7 1HD PRO 7 117.383 -14.238 -24.384 40 HD3 PRO 7 2HD PRO 7 117.831 -13.463 -25.917 41 H ASN 8 H ASN 8 115.255 -9.152 -23.605 42 HA ASN 8 HA ASN 8 114.386 -10.320 -21.101 43 HB2 ASN 8 1HB ASN 8 115.050 -8.194 -19.853 44 HB3 ASN 8 2HB ASN 8 116.352 -9.311 -20.252 45 HD21 ASN 8 2HD2 ASN 8 117.691 -8.812 -22.078 46 HD22 ASN 8 1HD2 ASN 8 117.926 -7.166 -22.549 47 H SER 9 H SER 9 112.398 -9.622 -20.500 48 HA SER 9 HA SER 9 111.286 -7.272 -21.871 49 HB2 SER 9 1HB SER 9 110.509 -9.273 -23.065 50 HB3 SER 9 2HB SER 9 109.895 -9.944 -21.553 51 HG SER 9 HG SER 9 108.144 -8.870 -21.938 52 H LEU 10 H LEU 10 110.416 -5.873 -20.499 53 HA LEU 10 HA LEU 10 108.799 -6.628 -18.290 54 HB2 LEU 10 1HB LEU 10 111.326 -6.964 -17.620 55 HB3 LEU 10 2HB LEU 10 111.263 -5.218 -17.390 56 HG LEU 10 HG LEU 10 110.920 -6.316 -15.278 57 HD11 LEU 10 1HD1 LEU 10 109.600 -4.262 -15.866 58 HD12 LEU 10 2HD1 LEU 10 108.911 -5.261 -14.587 59 HD13 LEU 10 3HD1 LEU 10 108.237 -5.326 -16.215 60 HD21 LEU 10 3HD2 LEU 10 108.364 -7.568 -16.079 61 HD22 LEU 10 1HD2 LEU 10 109.570 -8.093 -14.903 62 HD23 LEU 10 2HD2 LEU 10 109.842 -8.362 -16.625 63 H ALA 11 H ALA 11 107.285 -5.124 -18.516 64 HA ALA 11 HA ALA 11 107.933 -2.346 -18.175 65 HB1 ALA 11 1HB ALA 11 106.422 -2.078 -20.451 66 HB2 ALA 11 2HB ALA 11 108.171 -1.871 -20.345 67 HB3 ALA 11 3HB ALA 11 107.495 -3.420 -20.849 68 H LEU 12 H LEU 12 106.482 -1.882 -16.653 69 HA LEU 12 HA LEU 12 103.719 -2.835 -17.007 70 HB2 LEU 12 1HB LEU 12 105.027 -1.911 -14.457 71 HB3 LEU 12 2HB LEU 12 103.444 -2.668 -14.627 72 HG LEU 12 HG LEU 12 106.118 -3.994 -15.075 73 HD11 LEU 12 1HD1 LEU 12 104.576 -3.547 -12.729 74 HD12 LEU 12 2HD1 LEU 12 106.078 -4.453 -12.910 75 HD13 LEU 12 3HD1 LEU 12 104.527 -5.268 -13.113 76 HD21 LEU 12 3HD2 LEU 12 104.747 -5.108 -16.559 77 HD22 LEU 12 1HD2 LEU 12 103.305 -4.870 -15.572 78 HD23 LEU 12 2HD2 LEU 12 104.522 -6.051 -15.085 79 H ALA 13 H ALA 13 102.120 -1.397 -17.241 80 HA ALA 13 HA ALA 13 102.696 1.433 -16.659 81 HB1 ALA 13 1HB ALA 13 102.083 0.225 -19.191 82 HB2 ALA 13 2HB ALA 13 100.834 1.391 -18.750 83 HB3 ALA 13 3HB ALA 13 102.523 1.893 -18.823 84 H ASN 14 H ASN 14 101.248 2.407 -15.394 85 HA ASN 14 HA ASN 14 98.616 1.124 -15.054 86 HB2 ASN 14 1HB ASN 14 100.280 1.035 -13.091 87 HB3 ASN 14 2HB ASN 14 99.975 2.761 -12.922 88 HD21 ASN 14 2HD2 ASN 14 98.314 -0.353 -13.122 89 HD22 ASN 14 1HD2 ASN 14 97.030 0.065 -12.044 90 H VAL 15 H VAL 15 96.837 2.368 -15.246 91 HA VAL 15 HA VAL 15 97.258 5.201 -15.901 92 HB VAL 15 HB VAL 15 96.164 3.922 -17.656 93 HG11 VAL 15 1HG1 VAL 15 93.965 2.906 -17.312 94 HG12 VAL 15 2HG1 VAL 15 95.185 2.163 -16.276 95 HG13 VAL 15 3HG1 VAL 15 94.039 3.321 -15.600 96 HG21 VAL 15 3HG2 VAL 15 94.082 5.274 -17.867 97 HG22 VAL 15 1HG2 VAL 15 94.341 5.844 -16.218 98 HG23 VAL 15 2HG2 VAL 15 95.515 6.225 -17.477 99 HA PRO 16 HA PRO 16 95.363 6.333 -12.068 100 HB2 PRO 16 1HB PRO 16 94.943 8.952 -12.648 101 HB3 PRO 16 2HB PRO 16 96.538 8.298 -12.256 102 HG2 PRO 16 1HG PRO 16 95.347 8.908 -14.934 103 HG3 PRO 16 2HG PRO 16 96.984 9.235 -14.337 104 HD2 PRO 16 1HD PRO 16 96.413 7.134 -15.947 105 HD3 PRO 16 2HD PRO 16 97.690 7.074 -14.715 106 H LEU 17 H LEU 17 93.324 6.754 -11.235 107 HA LEU 17 HA LEU 17 91.147 7.091 -13.186 108 HB2 LEU 17 1HB LEU 17 91.492 4.728 -12.242 109 HB3 LEU 17 2HB LEU 17 90.878 5.391 -10.729 110 HG LEU 17 HG LEU 17 88.799 6.052 -12.004 111 HD11 LEU 17 1HD1 LEU 17 89.020 5.960 -14.229 112 HD12 LEU 17 2HD1 LEU 17 88.699 4.238 -14.031 113 HD13 LEU 17 3HD1 LEU 17 90.361 4.816 -14.150 114 HD21 LEU 17 3HD2 LEU 17 88.684 3.201 -12.309 115 HD22 LEU 17 1HD2 LEU 17 87.938 4.226 -11.083 116 HD23 LEU 17 2HD2 LEU 17 89.576 3.618 -10.845 117 H SER 18 H SER 18 89.362 8.274 -12.507 118 HA SER 18 HA SER 18 89.581 9.566 -9.873 119 HB2 SER 18 1HB SER 18 89.336 10.828 -12.570 120 HB3 SER 18 2HB SER 18 88.520 11.595 -11.208 121 HG SER 18 HG SER 18 90.406 12.421 -10.810 122 H ARG 19 H ARG 19 87.702 9.845 -8.768 123 HA ARG 19 HA ARG 19 85.150 9.458 -10.107 124 HB2 ARG 19 1HB ARG 19 86.354 7.518 -8.190 125 HB3 ARG 19 2HB ARG 19 84.626 7.823 -8.077 126 HG2 ARG 19 1HG ARG 19 84.471 7.280 -10.523 127 HG3 ARG 19 2HG ARG 19 86.152 6.749 -10.432 128 HD2 ARG 19 1HD ARG 19 85.102 4.758 -10.054 129 HD3 ARG 19 2HD ARG 19 85.227 5.345 -8.396 130 HE ARG 19 HE ARG 19 82.795 6.165 -9.635 131 HH11 ARG 19 1HH1 ARG 19 84.380 3.480 -8.086 132 HH12 ARG 19 2HH1 ARG 19 82.904 2.750 -7.548 133 HH21 ARG 19 1HH2 ARG 19 80.844 5.214 -8.932 134 HH22 ARG 19 2HH2 ARG 19 80.893 3.737 -8.030 135 H SER 20 H SER 20 83.810 10.962 -9.380 136 HA SER 20 HA SER 20 84.430 12.458 -6.998 137 HB2 SER 20 1HB SER 20 83.347 13.244 -9.290 138 HB3 SER 20 2HB SER 20 81.849 12.826 -8.457 139 HG SER 20 HG SER 20 82.056 14.548 -7.277 140 H LYS 21 H LYS 21 83.764 11.964 -5.027 141 HA LYS 21 HA LYS 21 81.201 10.562 -4.698 142 HB2 LYS 21 1HB LYS 21 82.215 9.240 -2.856 143 HB3 LYS 21 2HB LYS 21 82.913 8.880 -4.429 144 HG2 LYS 21 1HG LYS 21 84.803 9.014 -3.163 145 HG3 LYS 21 2HG LYS 21 84.673 10.690 -3.703 146 HD2 LYS 21 1HD LYS 21 83.941 11.435 -1.636 147 HD3 LYS 21 2HD LYS 21 83.366 9.838 -1.151 148 HE2 LYS 21 1HE LYS 21 85.284 10.086 0.121 149 HE3 LYS 21 2HE LYS 21 85.867 9.174 -1.271 150 HZ1 LYS 21 3HZ LYS 21 86.798 11.615 -0.332 151 HZ2 LYS 21 1HZ LYS 21 86.041 11.934 -1.810 152 HZ3 LYS 21 2HZ LYS 21 87.286 10.792 -1.727 153 H ARG 22 H ARG 22 80.303 10.765 -2.496 154 HA ARG 22 HA ARG 22 81.226 13.184 -1.102 155 HB2 ARG 22 1HB ARG 22 78.712 13.614 -0.688 156 HB3 ARG 22 2HB ARG 22 79.388 14.042 -2.254 157 HG2 ARG 22 1HG ARG 22 78.250 12.407 -3.352 158 HG3 ARG 22 2HG ARG 22 78.216 11.335 -1.950 159 HD2 ARG 22 1HD ARG 22 76.007 12.002 -2.121 160 HD3 ARG 22 2HD ARG 22 76.652 13.127 -0.927 161 HE ARG 22 HE ARG 22 76.954 14.336 -3.398 162 HH11 ARG 22 1HH1 ARG 22 74.346 13.189 -1.398 163 HH12 ARG 22 2HH1 ARG 22 73.206 14.350 -1.993 164 HH21 ARG 22 1HH2 ARG 22 75.462 15.869 -4.189 165 HH22 ARG 22 2HH2 ARG 22 73.842 15.874 -3.581 166 HA PRO 23 HA PRO 23 80.832 10.905 2.627 167 HB2 PRO 23 1HB PRO 23 80.013 12.820 4.368 168 HB3 PRO 23 2HB PRO 23 81.655 12.752 3.717 169 HG2 PRO 23 1HG PRO 23 79.346 14.452 2.858 170 HG3 PRO 23 2HG PRO 23 81.049 14.900 3.064 171 HD2 PRO 23 1HD PRO 23 79.963 14.383 0.639 172 HD3 PRO 23 2HD PRO 23 81.658 14.022 1.022 173 H ASP 24 H ASP 24 78.062 12.806 1.598 174 HA ASP 24 HA ASP 24 75.816 12.565 1.905 175 HB2 ASP 24 1HB ASP 24 76.797 9.722 1.858 176 HB3 ASP 24 2HB ASP 24 75.085 10.086 2.057 177 H PHE 25 H PHE 25 77.458 13.007 4.283 178 HA PHE 25 HA PHE 25 75.743 11.730 6.310 179 HB2 PHE 25 1HB PHE 25 78.270 11.263 6.331 180 HB3 PHE 25 2HB PHE 25 78.448 12.929 6.872 181 HD1 PHE 25 HD1 PHE 25 75.999 10.256 7.744 182 HD2 PHE 25 HD2 PHE 25 79.021 12.931 9.096 183 HE1 PHE 25 HE1 PHE 25 75.590 9.541 10.063 184 HE2 PHE 25 HE2 PHE 25 78.618 12.219 11.417 185 HZ PHE 25 HZ PHE 25 76.901 10.522 11.902 186 H GLY 26 H GLY 26 74.810 12.990 7.901 187 HA2 GLY 26 1HA GLY 26 75.140 15.909 7.592 188 HA3 GLY 26 2HA GLY 26 73.553 15.172 7.754 189 H GLN 27 H GLN 27 75.851 16.818 9.393 190 HA GLN 27 HA GLN 27 75.020 15.653 11.969 191 HB2 GLN 27 1HB GLN 27 77.181 16.396 12.896 192 HB3 GLN 27 2HB GLN 27 77.382 15.224 11.601 193 HG2 GLN 27 1HG GLN 27 77.588 17.412 10.137 194 HG3 GLN 27 2HG GLN 27 78.078 18.104 11.682 195 HE21 GLN 27 2HE2 GLN 27 79.624 16.457 12.887 196 HE22 GLN 27 1HE2 GLN 27 80.965 15.939 11.931 197 H ARG 28 H ARG 28 74.033 16.982 13.354 198 HA ARG 28 HA ARG 28 73.775 19.796 12.607 199 HB2 ARG 28 1HB ARG 28 71.841 19.864 13.995 200 HB3 ARG 28 2HB ARG 28 71.755 18.366 13.078 201 HG2 ARG 28 1HG ARG 28 72.651 17.161 15.046 202 HG3 ARG 28 2HG ARG 28 72.589 18.674 15.953 203 HD2 ARG 28 1HD ARG 28 70.170 18.795 15.564 204 HD3 ARG 28 2HD ARG 28 70.242 17.273 14.677 205 HE ARG 28 HE ARG 28 71.340 16.806 17.182 206 HH11 ARG 28 1HH1 ARG 28 68.271 17.746 15.833 207 HH12 ARG 28 2HH1 ARG 28 67.343 17.030 17.109 208 HH21 ARG 28 1HH2 ARG 28 70.130 15.860 18.868 209 HH22 ARG 28 2HH2 ARG 28 68.402 15.958 18.835 210 H ARG 29 H ARG 29 76.186 18.626 13.907 211 HA ARG 29 HA ARG 29 76.225 19.556 16.612 212 HB2 ARG 29 1HB ARG 29 78.416 18.715 14.713 213 HB3 ARG 29 2HB ARG 29 78.716 19.199 16.377 214 HG2 ARG 29 1HG ARG 29 77.224 17.374 17.131 215 HG3 ARG 29 2HG ARG 29 77.070 16.857 15.451 216 HD2 ARG 29 1HD ARG 29 79.331 16.247 15.316 217 HD3 ARG 29 2HD ARG 29 79.749 17.155 16.768 218 HE ARG 29 HE ARG 29 77.935 15.201 17.530 219 HH11 ARG 29 1HH1 ARG 29 81.136 15.370 16.172 220 HH12 ARG 29 2HH1 ARG 29 81.656 13.875 16.877 221 HH21 ARG 29 1HH2 ARG 29 78.607 13.232 18.464 222 HH22 ARG 29 2HH2 ARG 29 80.216 12.659 18.180 223 H ILE 30 H ILE 30 78.391 21.001 17.048 224 HA ILE 30 HA ILE 30 77.666 23.597 16.066 225 HB ILE 30 HB ILE 30 80.016 22.790 17.784 226 HG12 ILE 30 1HG1 ILE 30 77.828 22.230 18.787 227 HG13 ILE 30 2HG1 ILE 30 78.648 23.512 19.672 228 HG21 ILE 30 1HG2 ILE 30 78.824 25.474 17.122 229 HG22 ILE 30 2HG2 ILE 30 79.932 25.205 18.466 230 HG23 ILE 30 3HG2 ILE 30 80.467 24.913 16.812 231 HD11 ILE 30 3HD1 ILE 30 76.882 24.813 19.445 232 HD12 ILE 30 1HD1 ILE 30 76.997 24.699 17.689 233 HD13 ILE 30 2HD1 ILE 30 76.048 23.516 18.590 234 H ARG 31 H ARG 31 78.738 24.901 14.651 235 HA ARG 31 HA ARG 31 80.894 23.631 13.106 236 HB2 ARG 31 1HB ARG 31 78.670 25.480 12.403 237 HB3 ARG 31 2HB ARG 31 80.176 25.645 11.510 238 HG2 ARG 31 1HG ARG 31 78.961 22.943 11.807 239 HG3 ARG 31 2HG ARG 31 78.269 24.081 10.648 240 HD2 ARG 31 1HD ARG 31 79.858 22.785 9.460 241 HD3 ARG 31 2HD ARG 31 80.589 24.368 9.716 242 HE ARG 31 HE ARG 31 82.186 23.385 11.037 243 HH11 ARG 31 1HH1 ARG 31 79.579 21.140 10.507 244 HH12 ARG 31 2HH1 ARG 31 80.419 19.797 11.210 245 HH21 ARG 31 1HH2 ARG 31 83.302 21.626 11.964 246 HH22 ARG 31 2HH2 ARG 31 82.536 20.075 12.039 247 H ARG 32 H ARG 32 82.222 25.504 11.922 248 HA ARG 32 HA ARG 32 83.591 26.875 14.055 249 HB2 ARG 32 1HB ARG 32 84.089 26.332 11.179 250 HB3 ARG 32 2HB ARG 32 84.853 27.763 11.858 251 HG2 ARG 32 1HG ARG 32 85.599 26.094 13.736 252 HG3 ARG 32 2HG ARG 32 85.316 24.891 12.476 253 HD2 ARG 32 1HD ARG 32 86.818 26.161 10.979 254 HD3 ARG 32 2HD ARG 32 87.146 27.282 12.301 255 HE ARG 32 HE ARG 32 88.578 25.742 13.196 256 HH11 ARG 32 1HH1 ARG 32 86.525 24.161 10.871 257 HH12 ARG 32 2HH1 ARG 32 87.387 22.659 10.937 258 HH21 ARG 32 1HH2 ARG 32 89.720 23.769 13.292 259 HH22 ARG 32 2HH2 ARG 32 89.203 22.437 12.315 260 HA PRO 33 HA PRO 33 81.878 30.896 13.680 261 HB2 PRO 33 1HB PRO 33 84.059 32.491 13.947 262 HB3 PRO 33 2HB PRO 33 83.366 31.578 15.293 263 HG2 PRO 33 1HG PRO 33 85.729 30.922 13.576 264 HG3 PRO 33 2HG PRO 33 85.545 30.769 15.333 265 HD2 PRO 33 1HD PRO 33 85.311 28.657 13.655 266 HD3 PRO 33 2HD PRO 33 84.387 28.783 15.166 267 H PHE 34 H PHE 34 81.166 32.028 11.990 268 HA PHE 34 HA PHE 34 82.954 32.357 9.671 269 HB2 PHE 34 1HB PHE 34 80.629 32.626 8.465 270 HB3 PHE 34 2HB PHE 34 81.281 31.026 8.802 271 HD1 PHE 34 HD1 PHE 34 79.379 33.558 10.780 272 HD2 PHE 34 HD2 PHE 34 79.652 29.539 9.406 273 HE1 PHE 34 HE1 PHE 34 77.336 32.995 12.031 274 HE2 PHE 34 HE2 PHE 34 77.610 28.970 10.654 275 HZ PHE 34 HZ PHE 34 76.448 30.699 11.968 276 H THR 35 H THR 35 82.461 34.278 8.315 277 HA THR 35 HA THR 35 81.822 36.571 10.042 278 HB THR 35 HB THR 35 83.211 36.829 7.394 279 HG1 THR 35 HG1 THR 35 84.380 36.091 9.887 280 HG21 THR 35 3HG2 THR 35 84.363 38.640 8.931 281 HG22 THR 35 1HG2 THR 35 82.887 38.448 9.876 282 HG23 THR 35 2HG2 THR 35 82.794 38.943 8.186 283 H VAL 36 H VAL 36 80.644 38.360 9.134 284 HA VAL 36 HA VAL 36 78.253 37.704 7.930 285 HB VAL 36 HB VAL 36 78.551 39.815 9.086 286 HG11 VAL 36 1HG1 VAL 36 79.892 41.588 8.319 287 HG12 VAL 36 2HG1 VAL 36 80.903 40.149 8.172 288 HG13 VAL 36 3HG1 VAL 36 80.130 40.836 6.742 289 HG21 VAL 36 3HG2 VAL 36 76.834 40.602 7.917 290 HG22 VAL 36 1HG2 VAL 36 77.916 41.101 6.616 291 HG23 VAL 36 2HG2 VAL 36 77.227 39.477 6.617 292 H ALA 37 H ALA 37 81.296 38.618 6.430 293 HA ALA 37 HA ALA 37 80.269 38.950 3.800 294 HB1 ALA 37 1HB ALA 37 82.623 38.858 3.099 295 HB2 ALA 37 2HB ALA 37 82.375 39.957 4.455 296 HB3 ALA 37 3HB ALA 37 83.078 38.363 4.730 297 H GLU 38 H GLU 38 81.971 36.269 5.409 298 HA GLU 38 HA GLU 38 81.959 34.517 3.212 299 HB2 GLU 38 1HB GLU 38 82.206 34.130 6.178 300 HB3 GLU 38 2HB GLU 38 82.106 32.738 5.108 301 HG2 GLU 38 1HG GLU 38 84.411 33.274 5.617 302 HG3 GLU 38 2HG GLU 38 84.078 33.511 3.903 303 H VAL 39 H VAL 39 79.734 34.778 5.976 304 HA VAL 39 HA VAL 39 78.005 32.702 5.207 305 HB VAL 39 HB VAL 39 77.314 35.177 6.796 306 HG11 VAL 39 1HG1 VAL 39 75.992 32.468 6.779 307 HG12 VAL 39 2HG1 VAL 39 75.493 33.885 7.704 308 HG13 VAL 39 3HG1 VAL 39 75.375 33.893 5.944 309 HG21 VAL 39 3HG2 VAL 39 78.945 32.851 7.414 310 HG22 VAL 39 1HG2 VAL 39 78.771 34.374 8.284 311 HG23 VAL 39 2HG2 VAL 39 77.615 33.070 8.551 312 H GLU 40 H GLU 40 78.066 36.131 4.395 313 HA GLU 40 HA GLU 40 75.553 36.303 3.163 314 HB2 GLU 40 1HB GLU 40 78.069 37.878 3.086 315 HB3 GLU 40 2HB GLU 40 76.931 38.135 1.771 316 HG2 GLU 40 1HG GLU 40 75.201 38.753 3.324 317 HG3 GLU 40 2HG GLU 40 76.243 38.365 4.691 318 H LEU 41 H LEU 41 78.759 35.733 1.719 319 HA LEU 41 HA LEU 41 77.889 35.410 -0.921 320 HB2 LEU 41 1HB LEU 41 80.272 34.252 0.512 321 HB3 LEU 41 2HB LEU 41 80.024 34.149 -1.230 322 HG LEU 41 HG LEU 41 80.077 36.825 0.100 323 HD11 LEU 41 1HD1 LEU 41 82.359 34.968 -0.265 324 HD12 LEU 41 2HD1 LEU 41 82.096 36.219 0.949 325 HD13 LEU 41 3HD1 LEU 41 82.606 36.665 -0.679 326 HD21 LEU 41 3HD2 LEU 41 80.705 37.601 -2.028 327 HD22 LEU 41 1HD2 LEU 41 79.444 36.405 -2.327 328 HD23 LEU 41 2HD2 LEU 41 81.138 35.982 -2.582 329 H LEU 42 H LEU 42 78.277 33.061 1.694 330 HA LEU 42 HA LEU 42 77.748 30.748 0.184 331 HB2 LEU 42 1HB LEU 42 78.648 30.245 2.223 332 HB3 LEU 42 2HB LEU 42 77.698 31.467 3.065 333 HG LEU 42 HG LEU 42 75.746 30.031 3.009 334 HD11 LEU 42 1HD1 LEU 42 77.377 28.545 1.085 335 HD12 LEU 42 2HD1 LEU 42 75.625 28.646 1.254 336 HD13 LEU 42 3HD1 LEU 42 76.546 27.538 2.270 337 HD21 LEU 42 3HD2 LEU 42 77.723 29.783 4.707 338 HD22 LEU 42 1HD2 LEU 42 77.922 28.212 3.930 339 HD23 LEU 42 2HD2 LEU 42 76.393 28.624 4.706 340 H VAL 43 H VAL 43 75.563 32.489 2.407 341 HA VAL 43 HA VAL 43 73.237 31.107 1.786 342 HB VAL 43 HB VAL 43 73.493 34.011 2.583 343 HG11 VAL 43 1HG1 VAL 43 71.194 33.815 3.365 344 HG12 VAL 43 2HG1 VAL 43 71.295 33.487 1.634 345 HG13 VAL 43 3HG1 VAL 43 71.123 32.154 2.777 346 HG21 VAL 43 3HG2 VAL 43 73.972 33.323 4.645 347 HG22 VAL 43 1HG2 VAL 43 72.611 32.202 4.644 348 HG23 VAL 43 2HG2 VAL 43 74.171 31.696 3.995 349 H GLU 44 H GLU 44 74.637 33.966 0.241 350 HA GLU 44 HA GLU 44 72.499 34.491 -1.517 351 HB2 GLU 44 1HB GLU 44 74.337 36.086 -1.002 352 HB3 GLU 44 2HB GLU 44 75.433 35.083 -1.941 353 HG2 GLU 44 1HG GLU 44 74.418 35.633 -3.954 354 HG3 GLU 44 2HG GLU 44 72.935 36.175 -3.169 355 H ALA 45 H ALA 45 75.250 32.327 -1.709 356 HA ALA 45 HA ALA 45 75.118 31.724 -4.453 357 HB1 ALA 45 1HB ALA 45 75.987 29.754 -2.362 358 HB2 ALA 45 2HB ALA 45 76.588 29.958 -4.008 359 HB3 ALA 45 3HB ALA 45 76.964 31.162 -2.776 360 H VAL 46 H VAL 46 73.710 30.046 -1.645 361 HA VAL 46 HA VAL 46 72.298 28.161 -3.288 362 HB VAL 46 HB VAL 46 72.914 27.365 -1.147 363 HG11 VAL 46 1HG1 VAL 46 71.988 28.494 0.937 364 HG12 VAL 46 2HG1 VAL 46 73.303 29.322 0.100 365 HG13 VAL 46 3HG1 VAL 46 71.640 29.877 -0.100 366 HG21 VAL 46 3HG2 VAL 46 70.006 27.972 -0.735 367 HG22 VAL 46 1HG2 VAL 46 70.542 26.898 -2.026 368 HG23 VAL 46 2HG2 VAL 46 70.900 26.503 -0.345 369 H GLU 47 H GLU 47 71.598 31.240 -1.806 370 HA GLU 47 HA GLU 47 68.763 31.084 -2.028 371 HB2 GLU 47 1HB GLU 47 69.844 32.622 -0.463 372 HB3 GLU 47 2HB GLU 47 70.577 33.492 -1.804 373 HG2 GLU 47 1HG GLU 47 68.483 34.313 -2.536 374 HG3 GLU 47 2HG GLU 47 67.605 33.228 -1.460 375 H HIS 48 H HIS 48 71.262 32.703 -3.976 376 HA HIS 48 HA HIS 48 69.635 33.849 -5.900 377 HB2 HIS 48 1HB HIS 48 72.196 34.023 -5.562 378 HB3 HIS 48 2HB HIS 48 72.283 32.616 -6.618 379 HD1 HIS 48 HD1 HIS 48 73.666 34.600 -8.004 380 HD2 HIS 48 HD2 HIS 48 69.516 34.780 -7.929 381 HE1 HIS 48 HE1 HIS 48 73.022 36.075 -9.936 382 H LEU 49 H LEU 49 70.693 30.530 -5.563 383 HA LEU 49 HA LEU 49 69.303 29.833 -8.058 384 HB2 LEU 49 1HB LEU 49 71.133 28.058 -6.465 385 HB3 LEU 49 2HB LEU 49 70.577 27.833 -8.122 386 HG LEU 49 HG LEU 49 72.258 30.208 -7.447 387 HD11 LEU 49 1HD1 LEU 49 73.687 28.660 -6.520 388 HD12 LEU 49 2HD1 LEU 49 74.195 28.644 -8.208 389 HD13 LEU 49 3HD1 LEU 49 73.152 27.364 -7.590 390 HD21 LEU 49 3HD2 LEU 49 71.247 30.056 -9.655 391 HD22 LEU 49 1HD2 LEU 49 71.970 28.465 -9.891 392 HD23 LEU 49 2HD2 LEU 49 73.000 29.890 -9.760 393 H GLY 50 H GLY 50 68.539 30.157 -4.964 394 HA2 GLY 50 1HA GLY 50 66.983 29.228 -3.552 395 HA3 GLY 50 2HA GLY 50 66.201 28.676 -5.027 396 H THR 51 H THR 51 66.231 26.551 -5.528 397 HA THR 51 HA THR 51 67.991 24.782 -3.980 398 HB THR 51 HB THR 51 65.894 23.180 -4.013 399 HG1 THR 51 HG1 THR 51 64.755 25.793 -4.074 400 HG21 THR 51 3HG2 THR 51 65.186 24.571 -1.807 401 HG22 THR 51 1HG2 THR 51 66.788 25.244 -2.103 402 HG23 THR 51 2HG2 THR 51 66.589 23.505 -1.884 403 H GLY 52 H GLY 52 69.172 24.747 -6.016 404 HA2 GLY 52 1HA GLY 52 68.031 22.742 -7.840 405 HA3 GLY 52 2HA GLY 52 68.696 24.226 -8.505 406 H ARG 53 H ARG 53 70.465 23.547 -9.568 407 HA ARG 53 HA ARG 53 72.127 21.424 -8.828 408 HB2 ARG 53 1HB ARG 53 72.584 23.835 -10.577 409 HB3 ARG 53 2HB ARG 53 73.817 22.602 -10.346 410 HG2 ARG 53 1HG ARG 53 72.254 20.911 -11.216 411 HG3 ARG 53 2HG ARG 53 71.070 22.188 -11.506 412 HD2 ARG 53 1HD ARG 53 73.827 22.370 -12.660 413 HD3 ARG 53 2HD ARG 53 72.588 21.397 -13.451 414 HE ARG 53 HE ARG 53 72.776 24.248 -13.422 415 HH11 ARG 53 1HH1 ARG 53 70.558 21.571 -13.595 416 HH12 ARG 53 2HH1 ARG 53 69.335 22.469 -14.431 417 HH21 ARG 53 1HH2 ARG 53 71.174 25.441 -14.523 418 HH22 ARG 53 2HH2 ARG 53 69.687 24.670 -14.959 419 H TRP 54 H TRP 54 73.661 21.213 -7.336 420 HA TRP 54 HA TRP 54 74.221 23.325 -5.507 421 HB2 TRP 54 1HB TRP 54 75.802 20.769 -5.740 422 HB3 TRP 54 2HB TRP 54 75.509 21.746 -4.303 423 HD1 TRP 54 HD1 TRP 54 74.659 18.525 -5.233 424 HE1 TRP 54 HE1 TRP 54 72.304 17.795 -4.495 425 HE3 TRP 54 HE3 TRP 54 72.627 23.129 -4.331 426 HZ2 TRP 54 HZ2 TRP 54 69.903 19.009 -3.643 427 HZ3 TRP 54 HZ3 TRP 54 70.294 23.257 -3.558 428 HH2 TRP 54 HH2 TRP 54 68.962 21.239 -3.222 429 H ARG 55 H ARG 55 75.862 21.975 -8.288 430 HA ARG 55 HA ARG 55 78.426 22.980 -7.907 431 HB2 ARG 55 1HB ARG 55 78.018 21.438 -9.689 432 HB3 ARG 55 2HB ARG 55 76.846 22.517 -10.435 433 HG2 ARG 55 1HG ARG 55 78.477 23.930 -11.265 434 HG3 ARG 55 2HG ARG 55 79.685 23.383 -10.100 435 HD2 ARG 55 1HD ARG 55 78.554 21.565 -12.208 436 HD3 ARG 55 2HD ARG 55 79.945 22.604 -12.516 437 HE ARG 55 HE ARG 55 80.272 21.013 -10.166 438 HH11 ARG 55 1HH1 ARG 55 80.501 20.989 -13.640 439 HH12 ARG 55 2HH1 ARG 55 81.675 19.715 -13.684 440 HH21 ARG 55 1HH2 ARG 55 81.818 19.336 -10.211 441 HH22 ARG 55 2HH2 ARG 55 82.422 18.775 -11.733 442 H ASP 56 H ASP 56 75.623 24.511 -9.460 443 HA ASP 56 HA ASP 56 76.855 26.880 -10.262 444 HB2 ASP 56 1HB ASP 56 74.509 26.044 -10.825 445 HB3 ASP 56 2HB ASP 56 74.009 26.720 -9.277 446 H VAL 57 H VAL 57 75.648 25.881 -7.135 447 HA VAL 57 HA VAL 57 75.688 28.450 -5.917 448 HB VAL 57 HB VAL 57 75.861 25.717 -4.640 449 HG11 VAL 57 1HG1 VAL 57 74.816 28.097 -3.204 450 HG12 VAL 57 2HG1 VAL 57 75.639 26.668 -2.579 451 HG13 VAL 57 3HG1 VAL 57 76.563 27.938 -3.381 452 HG21 VAL 57 3HG2 VAL 57 73.442 27.492 -4.849 453 HG22 VAL 57 1HG2 VAL 57 73.827 26.267 -6.058 454 HG23 VAL 57 2HG2 VAL 57 73.517 25.791 -4.389 455 H LYS 58 H LYS 58 77.977 25.731 -5.920 456 HA LYS 58 HA LYS 58 79.907 26.951 -4.266 457 HB2 LYS 58 1HB LYS 58 79.682 24.480 -4.972 458 HB3 LYS 58 2HB LYS 58 80.568 24.953 -6.416 459 HG2 LYS 58 1HG LYS 58 82.235 25.965 -4.639 460 HG3 LYS 58 2HG LYS 58 81.490 24.746 -3.603 461 HD2 LYS 58 1HD LYS 58 83.337 23.658 -4.545 462 HD3 LYS 58 2HD LYS 58 81.966 23.103 -5.510 463 HE2 LYS 58 1HE LYS 58 82.576 24.378 -7.342 464 HE3 LYS 58 2HE LYS 58 83.522 25.506 -6.372 465 HZ1 LYS 58 3HZ LYS 58 85.337 24.301 -6.701 466 HZ2 LYS 58 1HZ LYS 58 84.472 23.361 -7.810 467 HZ3 LYS 58 2HZ LYS 58 84.579 22.877 -6.193 468 H PHE 59 H PHE 59 79.184 27.249 -7.647 469 HA PHE 59 HA PHE 59 81.701 28.547 -8.268 470 HB2 PHE 59 1HB PHE 59 80.782 27.185 -10.010 471 HB3 PHE 59 2HB PHE 59 79.221 27.991 -9.898 472 HD1 PHE 59 HD2 PHE 59 82.707 28.344 -11.010 473 HD2 PHE 59 HD1 PHE 59 78.810 30.053 -11.008 474 HE1 PHE 59 HE2 PHE 59 83.404 29.924 -12.762 475 HE2 PHE 59 HE1 PHE 59 79.499 31.636 -12.762 476 HZ PHE 59 HZ PHE 59 81.799 31.573 -13.640 477 H ARG 60 H ARG 60 78.277 29.443 -8.014 478 HA ARG 60 HA ARG 60 78.715 32.200 -8.586 479 HB2 ARG 60 1HB ARG 60 76.539 31.280 -8.997 480 HB3 ARG 60 2HB ARG 60 76.397 30.726 -7.333 481 HG2 ARG 60 1HG ARG 60 75.033 32.692 -7.706 482 HG3 ARG 60 2HG ARG 60 76.333 33.047 -6.567 483 HD2 ARG 60 1HD ARG 60 77.632 34.062 -8.385 484 HD3 ARG 60 2HD ARG 60 76.314 33.724 -9.506 485 HE ARG 60 HE ARG 60 75.478 35.269 -7.247 486 HH11 ARG 60 1HH1 ARG 60 76.983 35.425 -10.382 487 HH12 ARG 60 2HH1 ARG 60 76.533 37.075 -10.661 488 HH21 ARG 60 1HH2 ARG 60 74.879 37.441 -7.602 489 HH22 ARG 60 2HH2 ARG 60 75.337 38.221 -9.078 490 H ALA 61 H ALA 61 78.818 30.253 -5.710 491 HA ALA 61 HA ALA 61 78.420 32.100 -3.701 492 HB1 ALA 61 1HB ALA 61 78.730 30.104 -2.719 493 HB2 ALA 61 2HB ALA 61 79.867 29.558 -3.953 494 HB3 ALA 61 3HB ALA 61 80.421 30.603 -2.645 495 H PHE 62 H PHE 62 81.696 31.083 -4.658 496 HA PHE 62 HA PHE 62 82.556 33.864 -4.761 497 HB2 PHE 62 1HB PHE 62 84.594 32.981 -3.277 498 HB3 PHE 62 2HB PHE 62 83.154 33.695 -2.560 499 HD1 PHE 62 HD1 PHE 62 84.721 30.458 -3.453 500 HD2 PHE 62 HD2 PHE 62 81.836 32.481 -1.066 501 HE1 PHE 62 HE1 PHE 62 84.352 28.398 -2.158 502 HE2 PHE 62 HE2 PHE 62 81.464 30.426 0.233 503 HZ PHE 62 HZ PHE 62 82.723 28.381 -0.311 504 H GLU 63 H GLU 63 83.377 30.447 -5.080 505 HA GLU 63 HA GLU 63 84.868 29.342 -6.409 506 HB2 GLU 63 1HB GLU 63 83.177 30.320 -8.037 507 HB3 GLU 63 2HB GLU 63 84.364 31.572 -8.377 508 HG2 GLU 63 1HG GLU 63 85.891 29.403 -8.743 509 HG3 GLU 63 2HG GLU 63 84.318 28.734 -9.170 510 H ASN 64 H ASN 64 85.991 31.325 -4.615 511 HA ASN 64 HA ASN 64 88.513 31.797 -6.043 512 HB2 ASN 64 1HB ASN 64 86.936 33.881 -5.645 513 HB3 ASN 64 2HB ASN 64 87.611 33.805 -4.021 514 HD21 ASN 64 2HD2 ASN 64 88.573 33.829 -7.426 515 HD22 ASN 64 1HD2 ASN 64 90.018 34.747 -7.191 516 H VAL 65 H VAL 65 86.866 31.576 -2.916 517 HA VAL 65 HA VAL 65 89.393 30.990 -1.577 518 HB VAL 65 HB VAL 65 87.931 32.505 -0.402 519 HG11 VAL 65 1HG1 VAL 65 85.879 30.306 -0.603 520 HG12 VAL 65 2HG1 VAL 65 85.713 31.730 0.426 521 HG13 VAL 65 3HG1 VAL 65 85.800 31.912 -1.326 522 HG21 VAL 65 3HG2 VAL 65 89.260 30.739 0.845 523 HG22 VAL 65 1HG2 VAL 65 87.929 31.488 1.728 524 HG23 VAL 65 2HG2 VAL 65 87.736 29.874 1.044 525 H HIS 66 H HIS 66 89.984 29.022 -0.849 526 HA HIS 66 HA HIS 66 88.461 26.738 -1.761 527 HB2 HIS 66 1HB HIS 66 91.026 26.706 -0.168 528 HB3 HIS 66 2HB HIS 66 90.377 25.426 -1.189 529 HD1 HIS 66 HD1 HIS 66 93.165 27.238 -1.343 530 HD2 HIS 66 HD2 HIS 66 89.913 27.163 -3.928 531 HE1 HIS 66 HE1 HIS 66 94.038 28.077 -3.547 532 H HIS 67 H HIS 67 88.969 24.810 0.095 533 HA HIS 67 HA HIS 67 88.185 23.877 2.017 534 HB2 HIS 67 1HB HIS 67 89.588 25.910 2.916 535 HB3 HIS 67 2HB HIS 67 88.006 26.561 3.333 536 HD1 HIS 67 HD1 HIS 67 88.199 26.339 5.842 537 HD2 HIS 67 HD2 HIS 67 88.924 22.772 3.838 538 HE1 HIS 67 HE1 HIS 67 88.288 24.570 7.628 539 H ARG 68 H ARG 68 86.270 24.004 0.291 540 HA ARG 68 HA ARG 68 83.896 24.157 1.758 541 HB2 ARG 68 1HB ARG 68 84.695 26.685 1.080 542 HB3 ARG 68 2HB ARG 68 83.639 26.274 -0.264 543 HG2 ARG 68 1HG ARG 68 82.314 27.371 1.362 544 HG3 ARG 68 2HG ARG 68 81.888 25.659 1.417 545 HD2 ARG 68 1HD ARG 68 82.080 26.301 3.664 546 HD3 ARG 68 2HD ARG 68 83.590 25.466 3.302 547 HE ARG 68 HE ARG 68 84.110 28.111 2.817 548 HH11 ARG 68 1HH1 ARG 68 82.979 26.255 5.537 549 HH12 ARG 68 2HH1 ARG 68 83.669 27.320 6.717 550 HH21 ARG 68 1HH2 ARG 68 85.023 29.520 4.361 551 HH22 ARG 68 2HH2 ARG 68 84.831 29.177 6.047 552 H THR 69 H THR 69 82.408 22.933 0.767 553 HA THR 69 HA THR 69 82.744 22.427 -2.119 554 HB THR 69 HB THR 69 81.678 20.412 -0.141 555 HG1 THR 69 HG1 THR 69 83.797 20.627 0.428 556 HG21 THR 69 3HG2 THR 69 80.977 19.915 -2.358 557 HG22 THR 69 1HG2 THR 69 82.335 18.845 -2.013 558 HG23 THR 69 2HG2 THR 69 82.572 20.276 -3.016 559 H TYR 70 H TYR 70 80.832 21.948 -3.316 560 HA TYR 70 HA TYR 70 78.701 23.635 -2.925 561 HB2 TYR 70 1HB TYR 70 77.450 22.174 -4.511 562 HB3 TYR 70 2HB TYR 70 79.073 22.575 -5.062 563 HD1 TYR 70 HD2 TYR 70 80.850 20.863 -5.030 564 HD2 TYR 70 HD1 TYR 70 76.831 19.915 -4.004 565 HE1 TYR 70 HE2 TYR 70 81.348 18.471 -5.315 566 HE2 TYR 70 HE1 TYR 70 77.318 17.520 -4.284 567 HH TYR 70 HH TYR 70 79.535 16.271 -5.898 568 H VAL 71 H VAL 71 78.989 20.248 -1.922 569 HA VAL 71 HA VAL 71 76.388 19.973 -0.881 570 HB VAL 71 HB VAL 71 77.790 18.032 -1.338 571 HG11 VAL 71 1HG1 VAL 71 79.426 18.771 1.077 572 HG12 VAL 71 2HG1 VAL 71 79.718 17.468 -0.077 573 HG13 VAL 71 3HG1 VAL 71 79.917 19.149 -0.573 574 HG21 VAL 71 3HG2 VAL 71 77.612 17.418 1.432 575 HG22 VAL 71 1HG2 VAL 71 76.254 18.460 1.006 576 HG23 VAL 71 2HG2 VAL 71 76.519 16.953 0.128 577 H ASP 72 H ASP 72 79.373 21.196 0.505 578 HA ASP 72 HA ASP 72 78.485 21.276 3.199 579 HB2 ASP 72 1HB ASP 72 80.772 22.378 1.660 580 HB3 ASP 72 2HB ASP 72 80.373 23.190 3.171 581 H LEU 73 H LEU 73 78.347 23.560 0.523 582 HA LEU 73 HA LEU 73 77.479 25.797 2.014 583 HB2 LEU 73 1HB LEU 73 76.895 25.179 -0.877 584 HB3 LEU 73 2HB LEU 73 76.859 26.764 -0.105 585 HG LEU 73 HG LEU 73 79.261 25.079 -0.775 586 HD11 LEU 73 1HD1 LEU 73 78.488 27.896 -1.519 587 HD12 LEU 73 2HD1 LEU 73 78.320 26.482 -2.558 588 HD13 LEU 73 3HD1 LEU 73 79.923 27.023 -2.059 589 HD21 LEU 73 3HD2 LEU 73 78.971 27.344 1.154 590 HD22 LEU 73 1HD2 LEU 73 80.468 27.141 0.244 591 HD23 LEU 73 2HD2 LEU 73 79.900 25.852 1.306 592 H LYS 74 H LYS 74 75.700 23.335 0.173 593 HA LYS 74 HA LYS 74 73.127 24.374 0.638 594 HB2 LYS 74 1HB LYS 74 74.161 22.300 -0.831 595 HB3 LYS 74 2HB LYS 74 73.294 21.449 0.441 596 HG2 LYS 74 1HG LYS 74 72.150 23.487 -1.458 597 HG3 LYS 74 2HG LYS 74 71.863 21.745 -1.472 598 HD2 LYS 74 1HD LYS 74 71.098 23.640 0.750 599 HD3 LYS 74 2HD LYS 74 69.996 22.963 -0.452 600 HE2 LYS 74 1HE LYS 74 71.612 21.371 1.538 601 HE3 LYS 74 2HE LYS 74 69.900 21.760 1.692 602 HZ1 LYS 74 3HZ LYS 74 71.166 20.068 -0.391 603 HZ2 LYS 74 1HZ LYS 74 69.548 20.562 -0.434 604 HZ3 LYS 74 2HZ LYS 74 70.096 19.569 0.821 605 H ASP 75 H ASP 75 74.979 21.871 2.349 606 HA ASP 75 HA ASP 75 72.989 21.317 4.281 607 HB2 ASP 75 1HB ASP 75 75.651 20.439 3.689 608 HB3 ASP 75 2HB ASP 75 75.543 20.811 5.407 609 H LYS 76 H LYS 76 75.676 23.592 4.179 610 HA LYS 76 HA LYS 76 75.561 24.419 6.871 611 HB2 LYS 76 1HB LYS 76 77.475 24.877 5.387 612 HB3 LYS 76 2HB LYS 76 76.477 25.976 4.445 613 HG2 LYS 76 1HG LYS 76 77.875 27.242 5.927 614 HG3 LYS 76 2HG LYS 76 76.196 27.387 6.450 615 HD2 LYS 76 1HD LYS 76 76.527 26.026 8.307 616 HD3 LYS 76 2HD LYS 76 77.980 25.288 7.628 617 HE2 LYS 76 1HE LYS 76 77.767 28.170 8.490 618 HE3 LYS 76 2HE LYS 76 78.428 26.877 9.490 619 HZ1 LYS 76 3HZ LYS 76 80.368 27.324 8.540 620 HZ2 LYS 76 1HZ LYS 76 79.667 28.340 7.383 621 HZ3 LYS 76 2HZ LYS 76 79.757 26.675 7.102 622 H TRP 77 H TRP 77 73.865 25.489 3.979 623 HA TRP 77 HA TRP 77 72.675 27.787 5.145 624 HB2 TRP 77 1HB TRP 77 72.780 27.705 2.770 625 HB3 TRP 77 2HB TRP 77 71.991 26.131 2.718 626 HD1 TRP 77 HD1 TRP 77 71.008 29.661 4.038 627 HE1 TRP 77 HE1 TRP 77 68.564 30.096 3.359 628 HE3 TRP 77 HE3 TRP 77 70.023 25.237 1.672 629 HZ2 TRP 77 HZ2 TRP 77 66.492 28.743 2.000 630 HZ3 TRP 77 HZ3 TRP 77 67.785 24.887 0.710 631 HH2 TRP 77 HH2 TRP 77 66.058 26.605 0.873 632 H LYS 78 H LYS 78 71.412 24.523 4.486 633 HA LYS 78 HA LYS 78 68.865 24.861 5.542 634 HB2 LYS 78 1HB LYS 78 69.447 22.890 4.266 635 HB3 LYS 78 2HB LYS 78 70.617 22.398 5.484 636 HG2 LYS 78 1HG LYS 78 69.029 21.584 6.884 637 HG3 LYS 78 2HG LYS 78 67.814 22.757 6.369 638 HD2 LYS 78 1HD LYS 78 67.018 20.743 5.512 639 HD3 LYS 78 2HD LYS 78 67.841 21.475 4.133 640 HE2 LYS 78 1HE LYS 78 69.800 20.103 4.544 641 HE3 LYS 78 2HE LYS 78 69.045 19.418 5.982 642 HZ1 LYS 78 3HZ LYS 78 68.965 18.183 3.690 643 HZ2 LYS 78 1HZ LYS 78 67.627 19.185 3.430 644 HZ3 LYS 78 2HZ LYS 78 67.649 18.130 4.751 645 H THR 79 H THR 79 71.833 23.782 7.169 646 HA THR 79 HA THR 79 70.716 23.329 9.698 647 HB THR 79 HB THR 79 73.528 24.320 9.235 648 HG1 THR 79 HG1 THR 79 72.311 21.890 8.567 649 HG21 THR 79 3HG2 THR 79 73.949 22.698 11.140 650 HG22 THR 79 1HG2 THR 79 72.199 22.630 11.344 651 HG23 THR 79 2HG2 THR 79 73.053 24.160 11.550 652 H LEU 80 H LEU 80 72.412 26.209 8.457 653 HA LEU 80 HA LEU 80 72.147 27.797 10.731 654 HB2 LEU 80 1HB LEU 80 73.107 29.395 9.490 655 HB3 LEU 80 2HB LEU 80 73.306 28.102 8.309 656 HG LEU 80 HG LEU 80 70.979 28.938 7.446 657 HD11 LEU 80 1HD1 LEU 80 71.330 31.612 7.772 658 HD12 LEU 80 2HD1 LEU 80 71.782 31.003 9.364 659 HD13 LEU 80 3HD1 LEU 80 70.195 30.626 8.694 660 HD21 LEU 80 3HD2 LEU 80 73.146 30.853 6.803 661 HD22 LEU 80 1HD2 LEU 80 72.102 29.918 5.733 662 HD23 LEU 80 2HD2 LEU 80 73.471 29.141 6.528 663 H VAL 81 H VAL 81 69.873 27.072 8.182 664 HA VAL 81 HA VAL 81 68.023 29.149 8.714 665 HB VAL 81 HB VAL 81 67.680 26.459 7.395 666 HG11 VAL 81 1HG1 VAL 81 65.681 28.677 7.779 667 HG12 VAL 81 2HG1 VAL 81 65.510 27.416 6.556 668 HG13 VAL 81 3HG1 VAL 81 65.535 26.989 8.268 669 HG21 VAL 81 3HG2 VAL 81 67.331 28.980 5.911 670 HG22 VAL 81 1HG2 VAL 81 68.968 28.643 6.475 671 HG23 VAL 81 2HG2 VAL 81 68.137 27.484 5.437 672 H HIS 82 H HIS 82 68.158 25.751 9.753 673 HA HIS 82 HA HIS 82 65.798 25.743 11.260 674 HB2 HIS 82 1HB HIS 82 67.360 23.783 10.553 675 HB3 HIS 82 2HB HIS 82 68.197 24.125 12.064 676 HD1 HIS 82 HD1 HIS 82 67.092 21.451 12.082 677 HD2 HIS 82 HD2 HIS 82 64.704 24.722 13.010 678 HE1 HIS 82 HE1 HIS 82 65.163 20.523 13.403 679 H THR 83 H THR 83 69.136 26.472 12.205 680 HA THR 83 HA THR 83 68.564 26.893 14.951 681 HB THR 83 HB THR 83 70.863 28.095 13.406 682 HG1 THR 83 HG1 THR 83 71.414 26.075 13.091 683 HG21 THR 83 3HG2 THR 83 72.013 27.823 15.616 684 HG22 THR 83 1HG2 THR 83 70.451 27.395 16.312 685 HG23 THR 83 2HG2 THR 83 70.698 28.998 15.619 686 H ALA 84 H ALA 84 68.431 28.927 12.119 687 HA ALA 84 HA ALA 84 68.202 31.383 13.614 688 HB1 ALA 84 1HB ALA 84 69.179 31.121 11.271 689 HB2 ALA 84 2HB ALA 84 67.506 31.039 10.715 690 HB3 ALA 84 3HB ALA 84 68.089 32.480 11.548 691 H SER 85 H SER 85 66.120 28.859 12.879 692 HA SER 85 HA SER 85 63.738 30.574 12.916 693 HB2 SER 85 1HB SER 85 64.088 28.704 11.173 694 HB3 SER 85 2HB SER 85 63.725 27.591 12.492 695 HG SER 85 HG SER 85 61.703 28.472 12.671 696 H ILE 86 H ILE 86 65.552 28.336 14.811 697 HA ILE 86 HA ILE 86 63.406 27.802 16.677 698 HB ILE 86 HB ILE 86 65.007 26.502 17.924 699 HG12 ILE 86 1HG1 ILE 86 67.085 27.623 16.031 700 HG13 ILE 86 2HG1 ILE 86 66.929 28.014 17.740 701 HG21 ILE 86 1HG2 ILE 86 66.013 25.484 15.471 702 HG22 ILE 86 2HG2 ILE 86 64.685 24.873 16.455 703 HG23 ILE 86 3HG2 ILE 86 64.372 26.068 15.197 704 HD11 ILE 86 3HD1 ILE 86 68.706 26.461 17.500 705 HD12 ILE 86 1HD1 ILE 86 67.353 25.609 18.243 706 HD13 ILE 86 2HD1 ILE 86 67.708 25.377 16.531 707 H ALA 87 H ALA 87 64.474 27.935 19.125 708 HA ALA 87 HA ALA 87 64.825 30.820 19.518 709 HB1 ALA 87 1HB ALA 87 64.450 29.655 22.011 710 HB2 ALA 87 2HB ALA 87 63.239 30.497 21.043 711 HB3 ALA 87 3HB ALA 87 63.394 28.744 20.931 712 HA PRO 88 HA PRO 88 68.953 30.515 20.975 713 HB2 PRO 88 1HB PRO 88 68.971 32.271 23.046 714 HB3 PRO 88 2HB PRO 88 68.884 32.780 21.355 715 HG2 PRO 88 1HG PRO 88 66.684 32.509 23.367 716 HG3 PRO 88 2HG PRO 88 66.966 33.800 22.185 717 HD2 PRO 88 1HD PRO 88 65.155 31.827 21.784 718 HD3 PRO 88 2HD PRO 88 66.052 32.585 20.452 719 H GLN 89 H GLN 89 66.387 30.045 23.319 720 HA GLN 89 HA GLN 89 68.016 29.059 25.423 721 HB2 GLN 89 1HB GLN 89 65.898 28.215 26.374 722 HB3 GLN 89 2HB GLN 89 65.788 29.899 25.878 723 HG2 GLN 89 1HG GLN 89 64.472 29.385 24.015 724 HG3 GLN 89 2HG GLN 89 64.884 27.672 24.089 725 HE21 GLN 89 2HE2 GLN 89 62.341 29.421 24.284 726 HE22 GLN 89 1HE2 GLN 89 61.490 28.718 25.613 727 H GLN 90 H GLN 90 66.726 27.655 22.541 728 HA GLN 90 HA GLN 90 67.184 24.933 23.464 729 HB2 GLN 90 1HB GLN 90 66.376 25.792 20.690 730 HB3 GLN 90 2HB GLN 90 66.160 24.215 21.438 731 HG2 GLN 90 1HG GLN 90 64.591 25.265 23.053 732 HG3 GLN 90 2HG GLN 90 64.730 26.766 22.139 733 HE21 GLN 90 2HE2 GLN 90 63.816 23.372 21.870 734 HE22 GLN 90 1HE2 GLN 90 62.646 23.599 20.618 735 H ARG 91 H ARG 91 68.642 27.346 21.403 736 HA ARG 91 HA ARG 91 71.184 26.178 21.475 737 HB2 ARG 91 1HB ARG 91 69.658 24.725 19.790 738 HB3 ARG 91 2HB ARG 91 70.248 25.950 18.675 739 HG2 ARG 91 1HG ARG 91 71.792 24.224 18.489 740 HG3 ARG 91 2HG ARG 91 72.575 25.378 19.571 741 HD2 ARG 91 1HD ARG 91 72.935 23.435 20.724 742 HD3 ARG 91 2HD ARG 91 71.395 23.932 21.425 743 HE ARG 91 HE ARG 91 70.813 22.331 19.235 744 HH11 ARG 91 1HH1 ARG 91 72.410 22.027 22.313 745 HH12 ARG 91 2HH1 ARG 91 72.023 20.349 22.496 746 HH21 ARG 91 1HH2 ARG 91 70.296 20.121 19.464 747 HH22 ARG 91 2HH2 ARG 91 70.821 19.265 20.874 748 H ARG 92 H ARG 92 72.139 28.112 21.671 749 HA ARG 92 HA ARG 92 71.315 30.465 20.344 750 HB2 ARG 92 1HB ARG 92 73.751 29.676 21.903 751 HB3 ARG 92 2HB ARG 92 73.721 31.209 21.043 752 HG2 ARG 92 1HG ARG 92 71.416 30.588 22.795 753 HG3 ARG 92 2HG ARG 92 72.954 30.975 23.569 754 HD2 ARG 92 1HD ARG 92 72.987 32.996 21.959 755 HD3 ARG 92 2HD ARG 92 71.264 32.670 21.767 756 HE ARG 92 HE ARG 92 71.864 32.778 24.503 757 HH11 ARG 92 1HH1 ARG 92 71.699 34.864 21.721 758 HH12 ARG 92 2HH1 ARG 92 71.310 36.279 22.643 759 HH21 ARG 92 1HH2 ARG 92 71.353 34.634 25.727 760 HH22 ARG 92 2HH2 ARG 92 71.115 36.147 24.921 761 H GLY 93 H GLY 93 72.297 31.622 18.647 762 HA2 GLY 93 1HA GLY 93 73.806 29.900 16.786 763 HA3 GLY 93 2HA GLY 93 72.743 31.212 16.298 764 H ALA 94 H ALA 94 75.379 30.939 15.386 765 HA ALA 94 HA ALA 94 77.355 32.309 16.740 766 HB1 ALA 94 1HB ALA 94 77.944 33.048 14.242 767 HB2 ALA 94 2HB ALA 94 78.208 31.410 14.844 768 HB3 ALA 94 3HB ALA 94 76.771 31.778 13.889 769 HA PRO 95 HA PRO 95 76.281 36.561 16.895 770 HB2 PRO 95 1HB PRO 95 78.648 37.782 16.369 771 HB3 PRO 95 2HB PRO 95 78.317 36.942 17.889 772 HG2 PRO 95 1HG PRO 95 79.818 35.984 15.482 773 HG3 PRO 95 2HG PRO 95 80.221 35.798 17.199 774 HD2 PRO 95 1HD PRO 95 79.094 33.812 15.744 775 HD3 PRO 95 2HD PRO 95 78.773 34.027 17.477 776 H VAL 96 H VAL 96 74.966 36.219 14.873 777 HA VAL 96 HA VAL 96 76.111 37.777 12.647 778 HB VAL 96 HB VAL 96 74.408 36.513 11.212 779 HG11 VAL 96 1HG1 VAL 96 75.992 34.413 11.261 780 HG12 VAL 96 2HG1 VAL 96 76.578 35.979 10.697 781 HG13 VAL 96 3HG1 VAL 96 76.948 35.435 12.334 782 HG21 VAL 96 3HG2 VAL 96 73.223 35.579 13.241 783 HG22 VAL 96 1HG2 VAL 96 73.600 34.420 11.967 784 HG23 VAL 96 2HG2 VAL 96 74.590 34.480 13.425 785 HA PRO 97 HA PRO 97 72.778 40.609 13.017 786 HB2 PRO 97 1HB PRO 97 72.374 41.308 10.425 787 HB3 PRO 97 2HB PRO 97 73.784 41.833 11.353 788 HG2 PRO 97 1HG PRO 97 73.541 39.594 9.380 789 HG3 PRO 97 2HG PRO 97 74.842 40.785 9.566 790 HD2 PRO 97 1HD PRO 97 75.031 38.261 10.526 791 HD3 PRO 97 2HD PRO 97 75.806 39.645 11.322 792 H GLN 98 H GLN 98 70.535 40.953 12.580 793 HA GLN 98 HA GLN 98 69.014 38.594 12.396 794 HB2 GLN 98 1HB GLN 98 67.056 40.106 12.327 795 HB3 GLN 98 2HB GLN 98 68.186 40.516 13.611 796 HG2 GLN 98 1HG GLN 98 69.128 42.278 12.132 797 HG3 GLN 98 2HG GLN 98 67.847 41.922 10.974 798 HE21 GLN 98 2HE2 GLN 98 65.631 42.180 11.726 799 HE22 GLN 98 1HE2 GLN 98 65.280 43.410 12.887 800 H GLU 99 H GLU 99 69.997 40.952 10.012 801 HA GLU 99 HA GLU 99 68.203 40.418 7.964 802 HB2 GLU 99 1HB GLU 99 69.962 41.211 6.430 803 HB3 GLU 99 2HB GLU 99 69.794 42.250 7.838 804 HG2 GLU 99 1HG GLU 99 71.712 40.589 8.718 805 HG3 GLU 99 2HG GLU 99 72.046 40.558 6.987 806 H LEU 100 H LEU 100 71.199 38.740 8.817 807 HA LEU 100 HA LEU 100 71.338 36.996 6.646 808 HB2 LEU 100 1HB LEU 100 72.489 37.176 9.315 809 HB3 LEU 100 2HB LEU 100 72.286 35.514 8.766 810 HG LEU 100 HG LEU 100 74.516 36.268 8.259 811 HD11 LEU 100 1HD1 LEU 100 74.605 35.743 5.938 812 HD12 LEU 100 2HD1 LEU 100 72.934 36.253 5.697 813 HD13 LEU 100 3HD1 LEU 100 73.286 34.807 6.643 814 HD21 LEU 100 3HD2 LEU 100 74.783 38.466 7.960 815 HD22 LEU 100 1HD2 LEU 100 73.111 38.690 7.446 816 HD23 LEU 100 2HD2 LEU 100 74.328 38.163 6.283 817 H LEU 101 H LEU 101 69.688 36.621 9.764 818 HA LEU 101 HA LEU 101 68.693 34.011 9.172 819 HB2 LEU 101 1HB LEU 101 67.726 36.004 11.215 820 HB3 LEU 101 2HB LEU 101 67.345 34.284 11.178 821 HG LEU 101 HG LEU 101 68.978 34.198 12.733 822 HD11 LEU 101 1HD1 LEU 101 70.919 34.494 10.473 823 HD12 LEU 101 2HD1 LEU 101 69.806 33.128 10.543 824 HD13 LEU 101 3HD1 LEU 101 70.965 33.388 11.846 825 HD21 LEU 101 3HD2 LEU 101 69.652 36.245 13.339 826 HD22 LEU 101 1HD2 LEU 101 69.621 36.849 11.682 827 HD23 LEU 101 2HD2 LEU 101 71.023 35.952 12.267 828 H ASP 102 H ASP 102 67.623 37.241 8.540 829 HA ASP 102 HA ASP 102 64.881 36.568 8.042 830 HB2 ASP 102 1HB ASP 102 65.793 38.864 8.692 831 HB3 ASP 102 2HB ASP 102 66.320 39.012 7.018 832 H ARG 103 H ARG 103 67.778 36.994 6.078 833 HA ARG 103 HA ARG 103 66.438 36.750 3.573 834 HB2 ARG 103 1HB ARG 103 68.700 36.514 2.632 835 HB3 ARG 103 2HB ARG 103 68.590 37.879 3.734 836 HG2 ARG 103 1HG ARG 103 69.715 36.652 5.460 837 HG3 ARG 103 2HG ARG 103 69.691 35.182 4.485 838 HD2 ARG 103 1HD ARG 103 71.814 35.900 4.048 839 HD3 ARG 103 2HD ARG 103 70.947 36.727 2.755 840 HE ARG 103 HE ARG 103 72.144 37.935 5.111 841 HH11 ARG 103 1HH1 ARG 103 70.095 38.308 2.322 842 HH12 ARG 103 2HH1 ARG 103 70.219 40.036 2.299 843 HH21 ARG 103 1HH2 ARG 103 72.316 40.210 5.092 844 HH22 ARG 103 2HH2 ARG 103 71.484 41.116 3.875 845 H VAL 104 H VAL 104 68.094 34.507 5.730 846 HA VAL 104 HA VAL 104 67.970 32.285 3.937 847 HB VAL 104 HB VAL 104 68.668 30.926 5.825 848 HG11 VAL 104 1HG1 VAL 104 70.041 33.257 4.894 849 HG12 VAL 104 2HG1 VAL 104 70.472 32.951 6.577 850 HG13 VAL 104 3HG1 VAL 104 70.701 31.691 5.365 851 HG21 VAL 104 3HG2 VAL 104 67.379 31.714 7.629 852 HG22 VAL 104 1HG2 VAL 104 69.045 32.117 8.043 853 HG23 VAL 104 2HG2 VAL 104 67.962 33.367 7.431 854 H LEU 105 H LEU 105 65.980 33.451 6.608 855 HA LEU 105 HA LEU 105 64.250 31.186 6.661 856 HB2 LEU 105 1HB LEU 105 64.110 33.958 7.792 857 HB3 LEU 105 2HB LEU 105 62.736 32.860 7.906 858 HG LEU 105 HG LEU 105 65.481 32.318 9.037 859 HD11 LEU 105 1HD1 LEU 105 63.937 34.194 10.033 860 HD12 LEU 105 2HD1 LEU 105 64.776 33.055 11.086 861 HD13 LEU 105 3HD1 LEU 105 63.069 32.815 10.710 862 HD21 LEU 105 3HD2 LEU 105 63.272 30.819 10.135 863 HD22 LEU 105 1HD2 LEU 105 64.795 30.246 9.455 864 HD23 LEU 105 2HD2 LEU 105 63.420 30.559 8.396 865 H ALA 106 H ALA 106 63.940 34.466 5.320 866 HA ALA 106 HA ALA 106 61.370 34.143 4.236 867 HB1 ALA 106 1HB ALA 106 62.184 36.344 4.457 868 HB2 ALA 106 2HB ALA 106 63.639 35.983 3.526 869 HB3 ALA 106 3HB ALA 106 62.071 36.050 2.722 870 H ALA 107 H ALA 107 64.580 33.645 2.809 871 HA ALA 107 HA ALA 107 63.672 32.982 0.218 872 HB1 ALA 107 1HB ALA 107 65.997 33.659 0.795 873 HB2 ALA 107 2HB ALA 107 66.230 32.071 1.527 874 HB3 ALA 107 3HB ALA 107 65.900 32.206 -0.201 875 H GLN 108 H GLN 108 64.389 31.022 3.074 876 HA GLN 108 HA GLN 108 64.167 28.494 1.909 877 HB2 GLN 108 1HB GLN 108 65.020 28.969 4.207 878 HB3 GLN 108 2HB GLN 108 63.363 29.258 4.720 879 HG2 GLN 108 1HG GLN 108 63.677 27.086 5.373 880 HG3 GLN 108 2HG GLN 108 62.938 26.872 3.787 881 HE21 GLN 108 2HE2 GLN 108 63.859 25.353 2.632 882 HE22 GLN 108 1HE2 GLN 108 65.531 24.918 2.655 883 H ALA 109 H ALA 109 61.680 30.456 3.532 884 HA ALA 109 HA ALA 109 59.574 28.611 3.014 885 HB1 ALA 109 1HB ALA 109 58.299 29.979 4.267 886 HB2 ALA 109 2HB ALA 109 59.848 30.710 4.691 887 HB3 ALA 109 3HB ALA 109 58.848 31.432 3.430 888 H TYR 110 H TYR 110 60.867 31.406 1.331 889 HA TYR 110 HA TYR 110 58.742 31.758 -0.496 890 HB2 TYR 110 1HB TYR 110 61.560 32.666 -0.291 891 HB3 TYR 110 2HB TYR 110 60.830 32.717 -1.892 892 HD1 TYR 110 HD1 TYR 110 59.218 33.341 1.403 893 HD2 TYR 110 HD2 TYR 110 60.537 35.003 -2.285 894 HE1 TYR 110 HE1 TYR 110 58.124 35.468 1.977 895 HE2 TYR 110 HE2 TYR 110 59.447 37.135 -1.721 896 HH TYR 110 HH TYR 110 57.646 37.530 1.316 897 H TRP 111 H TRP 111 61.745 29.887 -0.656 898 HA TRP 111 HA TRP 111 61.223 28.941 -3.318 899 HB2 TRP 111 1HB TRP 111 63.249 28.122 -1.230 900 HB3 TRP 111 2HB TRP 111 63.175 27.422 -2.845 901 HD1 TRP 111 HD1 TRP 111 65.223 29.739 -1.158 902 HE1 TRP 111 HE1 TRP 111 66.175 31.566 -2.701 903 HE3 TRP 111 HE3 TRP 111 62.045 29.188 -5.124 904 HZ2 TRP 111 HZ2 TRP 111 65.648 32.633 -5.260 905 HZ3 TRP 111 HZ3 TRP 111 62.336 30.652 -7.080 906 HH2 TRP 111 HH2 TRP 111 64.101 32.338 -7.145 907 H SER 112 H SER 112 60.273 28.018 -0.168 908 HA SER 112 HA SER 112 59.857 25.235 -0.714 909 HB2 SER 112 1HB SER 112 60.231 25.955 1.575 910 HB3 SER 112 2HB SER 112 58.821 27.011 1.508 911 HG SER 112 HG SER 112 58.195 25.130 2.505 912 H VAL 113 H VAL 113 57.795 24.176 -0.820 913 HA VAL 113 HA VAL 113 56.058 25.185 -2.725 914 HB VAL 113 HB VAL 113 56.149 22.811 -2.187 915 HG11 VAL 113 1HG1 VAL 113 54.608 23.401 0.328 916 HG12 VAL 113 2HG1 VAL 113 55.327 21.872 -0.182 917 HG13 VAL 113 3HG1 VAL 113 56.362 23.215 0.306 918 HG21 VAL 113 3HG2 VAL 113 53.973 24.155 -2.974 919 HG22 VAL 113 1HG2 VAL 113 53.997 22.403 -2.772 920 HG23 VAL 113 2HG2 VAL 113 53.339 23.429 -1.498 921 H ASP 114 H ASP 114 55.957 25.478 0.773 922 HA ASP 114 HA ASP 114 53.919 27.551 0.503 923 HB2 ASP 114 1HB ASP 114 52.714 25.429 0.995 924 HB3 ASP 114 2HB ASP 114 53.647 25.279 2.482 925 H SER 115 H SER 115 54.050 29.162 2.025 926 HA SER 115 HA SER 115 56.521 29.594 3.274 927 HB2 SER 115 1HB SER 115 55.581 31.594 4.146 928 HB3 SER 115 2HB SER 115 54.776 31.331 2.599 929 HG SER 115 HG SER 115 53.523 31.807 4.704 930 H SER 116 H SER 116 56.775 30.071 5.651 931 HA SER 116 HA SER 116 55.438 27.971 7.230 932 HB2 SER 116 1HB SER 116 57.426 27.440 8.287 933 HB3 SER 116 2HB SER 116 58.020 27.881 6.685 934 HG SER 116 HG SER 116 59.197 29.268 7.728 935 H GLY 117 H GLY 117 56.206 28.625 9.742 936 HA2 GLY 117 1HA GLY 117 54.413 30.655 10.462 937 HA3 GLY 117 2HA GLY 117 55.638 29.965 11.516 938 H ARG 118 H ARG 118 54.812 32.685 11.512 939 HA ARG 118 HA ARG 118 56.510 34.381 10.062 940 HB2 ARG 118 1HB ARG 118 54.464 34.689 11.928 941 HB3 ARG 118 2HB ARG 118 55.868 35.411 12.702 942 HG2 ARG 118 1HG ARG 118 55.940 37.141 11.263 943 HG3 ARG 118 2HG ARG 118 55.431 36.159 9.888 944 HD2 ARG 118 1HD ARG 118 53.397 36.556 11.976 945 HD3 ARG 118 2HD ARG 118 53.876 38.013 11.106 946 HE ARG 118 HE ARG 118 52.276 35.885 10.111 947 HH11 ARG 118 1HH1 ARG 118 54.673 38.230 9.176 948 HH12 ARG 118 2HH1 ARG 118 54.160 38.288 7.522 949 HH21 ARG 118 1HH2 ARG 118 51.591 35.952 7.936 950 HH22 ARG 118 2HH2 ARG 118 52.407 36.993 6.818 951 H ILE 119 H ILE 119 57.785 36.019 11.858 952 HA ILE 119 HA ILE 119 60.002 34.300 12.718 953 HB ILE 119 HB ILE 119 60.862 35.910 11.267 954 HG12 ILE 119 1HG1 ILE 119 61.306 37.559 13.693 955 HG13 ILE 119 2HG1 ILE 119 61.736 35.857 13.814 956 HG21 ILE 119 1HG2 ILE 119 59.352 37.507 10.763 957 HG22 ILE 119 2HG2 ILE 119 58.765 37.625 12.421 958 HG23 ILE 119 3HG2 ILE 119 60.255 38.443 11.954 959 HD11 ILE 119 3HD1 ILE 119 62.701 37.256 11.413 960 HD12 ILE 119 1HD1 ILE 119 63.407 37.762 12.948 961 HD13 ILE 119 2HD1 ILE 119 63.505 36.074 12.446 962 H VAL 120 H VAL 120 59.549 33.662 14.765 963 HA VAL 120 HA VAL 120 58.970 35.772 16.741 964 HB VAL 120 HB VAL 120 58.175 33.815 18.181 965 HG11 VAL 120 1HG1 VAL 120 56.063 34.343 17.604 966 HG12 VAL 120 2HG1 VAL 120 56.851 35.510 16.539 967 HG13 VAL 120 3HG1 VAL 120 56.319 33.952 15.903 968 HG21 VAL 120 3HG2 VAL 120 57.923 31.735 17.331 969 HG22 VAL 120 1HG2 VAL 120 57.541 32.327 15.714 970 HG23 VAL 120 2HG2 VAL 120 59.219 32.254 16.254 971 H THR 121 H THR 121 61.047 36.332 17.297 972 HA THR 121 HA THR 121 63.002 34.311 17.967 973 HB THR 121 HB THR 121 63.186 37.305 18.346 974 HG1 THR 121 HG1 THR 121 63.901 37.409 16.307 975 HG21 THR 121 3HG2 THR 121 65.670 36.742 18.141 976 HG22 THR 121 1HG2 THR 121 65.197 35.069 18.433 977 HG23 THR 121 2HG2 THR 121 64.872 36.303 19.650 978 H LEU 122 H LEU 122 60.700 36.312 19.619 979 HA LEU 122 HA LEU 122 61.790 36.359 22.188 980 HB2 LEU 122 1HB LEU 122 59.893 37.717 21.606 981 HB3 LEU 122 2HB LEU 122 58.916 36.286 21.287 982 HG LEU 122 HG LEU 122 59.284 35.754 23.787 983 HD11 LEU 122 1HD1 LEU 122 59.338 38.225 24.876 984 HD12 LEU 122 2HD1 LEU 122 60.465 38.434 23.536 985 HD13 LEU 122 3HD1 LEU 122 60.746 37.173 24.736 986 HD21 LEU 122 3HD2 LEU 122 57.178 36.452 24.056 987 HD22 LEU 122 1HD2 LEU 122 57.287 37.004 22.384 988 HD23 LEU 122 2HD2 LEU 122 57.594 38.131 23.706 Start of MODEL 10 1 H1 GLY 1 H GLY 1 136.717 84.495 17.830 2 HA2 GLY 1 1HA GLY 1 137.917 82.150 18.572 3 HA3 GLY 1 2HA GLY 1 136.986 82.620 19.986 4 H SER 2 H SER 2 134.824 82.274 20.023 5 HA SER 2 HA SER 2 132.791 81.445 19.429 6 HB2 SER 2 1HB SER 2 133.216 83.283 17.594 7 HB3 SER 2 2HB SER 2 133.375 81.890 16.525 8 HG SER 2 HG SER 2 131.274 82.041 16.457 9 HA PRO 3 HA PRO 3 134.855 77.467 18.209 10 HB2 PRO 3 1HB PRO 3 133.990 76.082 20.378 11 HB3 PRO 3 2HB PRO 3 135.477 77.037 20.378 12 HG2 PRO 3 1HG PRO 3 132.768 77.749 21.434 13 HG3 PRO 3 2HG PRO 3 134.361 78.023 22.164 14 HD2 PRO 3 1HD PRO 3 132.997 79.971 20.868 15 HD3 PRO 3 2HD PRO 3 134.771 79.889 20.873 16 H PHE 4 H PHE 4 133.869 75.590 17.419 17 HA PHE 4 HA PHE 4 131.033 75.877 16.858 18 HB2 PHE 4 1HB PHE 4 132.989 73.790 15.873 19 HB3 PHE 4 2HB PHE 4 131.364 74.067 15.254 20 HD1 PHE 4 HD1 PHE 4 130.879 76.399 14.275 21 HD2 PHE 4 HD2 PHE 4 134.798 74.864 14.912 22 HE1 PHE 4 HE1 PHE 4 131.773 78.015 12.650 23 HE2 PHE 4 HE2 PHE 4 135.698 76.478 13.288 24 HZ PHE 4 HZ PHE 4 134.185 78.057 12.155 25 H ALA 5 H ALA 5 129.608 75.067 18.238 26 HA ALA 5 HA ALA 5 130.329 72.717 19.839 27 HB1 ALA 5 1HB ALA 5 127.941 73.517 20.841 28 HB2 ALA 5 2HB ALA 5 129.507 74.087 21.419 29 HB3 ALA 5 3HB ALA 5 128.594 75.049 20.257 30 H ASP 6 H ASP 6 128.094 73.842 17.407 31 HA ASP 6 HA ASP 6 126.784 71.204 17.412 32 HB2 ASP 6 1HB ASP 6 125.082 72.581 15.926 33 HB3 ASP 6 2HB ASP 6 125.009 72.641 17.685 34 HA PRO 7 HA PRO 7 128.338 70.257 13.422 35 HB2 PRO 7 1HB PRO 7 126.216 69.044 12.241 36 HB3 PRO 7 2HB PRO 7 127.157 68.290 13.533 37 HG2 PRO 7 1HG PRO 7 124.533 69.721 13.689 38 HG3 PRO 7 2HG PRO 7 125.035 68.216 14.481 39 HD2 PRO 7 1HD PRO 7 124.996 70.598 15.769 40 HD3 PRO 7 2HD PRO 7 126.176 69.327 16.148 41 H ASN 8 H ASN 8 128.061 70.607 11.089 42 HA ASN 8 HA ASN 8 126.738 73.168 10.588 43 HB2 ASN 8 1HB ASN 8 128.831 71.648 9.021 44 HB3 ASN 8 2HB ASN 8 128.117 73.169 8.494 45 HD21 ASN 8 2HD2 ASN 8 130.080 71.638 10.958 46 HD22 ASN 8 1HD2 ASN 8 130.871 73.078 11.491 47 H SER 9 H SER 9 125.054 70.938 10.804 48 HA SER 9 HA SER 9 124.270 70.407 8.019 49 HB2 SER 9 1HB SER 9 123.773 68.915 10.589 50 HB3 SER 9 2HB SER 9 122.801 68.614 9.148 51 HG SER 9 HG SER 9 124.398 67.243 8.813 52 H LEU 10 H LEU 10 122.657 71.582 7.250 53 HA LEU 10 HA LEU 10 121.063 73.283 8.850 54 HB2 LEU 10 1HB LEU 10 120.773 72.375 5.993 55 HB3 LEU 10 2HB LEU 10 119.747 73.597 6.741 56 HG LEU 10 HG LEU 10 122.716 73.963 6.693 57 HD11 LEU 10 1HD1 LEU 10 121.937 73.388 4.385 58 HD12 LEU 10 2HD1 LEU 10 122.636 74.998 4.553 59 HD13 LEU 10 3HD1 LEU 10 120.886 74.802 4.455 60 HD21 LEU 10 3HD2 LEU 10 120.497 75.980 6.462 61 HD22 LEU 10 1HD2 LEU 10 122.188 76.257 6.880 62 HD23 LEU 10 2HD2 LEU 10 121.126 75.421 8.013 63 H ALA 11 H ALA 11 119.831 70.736 6.688 64 HA ALA 11 HA ALA 11 118.395 69.359 8.702 65 HB1 ALA 11 1HB ALA 11 117.180 71.724 8.058 66 HB2 ALA 11 2HB ALA 11 116.355 70.576 7.002 67 HB3 ALA 11 3HB ALA 11 116.373 70.314 8.746 68 H LEU 12 H LEU 12 116.807 67.783 7.727 69 HA LEU 12 HA LEU 12 117.603 67.074 4.981 70 HB2 LEU 12 1HB LEU 12 118.465 65.678 7.042 71 HB3 LEU 12 2HB LEU 12 116.857 64.963 6.945 72 HG LEU 12 HG LEU 12 118.432 63.562 5.785 73 HD11 LEU 12 1HD1 LEU 12 116.898 65.010 3.649 74 HD12 LEU 12 2HD1 LEU 12 116.105 63.997 4.855 75 HD13 LEU 12 3HD1 LEU 12 117.290 63.293 3.754 76 HD21 LEU 12 3HD2 LEU 12 120.249 64.650 5.025 77 HD22 LEU 12 1HD2 LEU 12 119.356 66.137 4.707 78 HD23 LEU 12 2HD2 LEU 12 119.300 64.810 3.547 79 H ALA 13 H ALA 13 115.817 67.731 3.893 80 HA ALA 13 HA ALA 13 113.163 67.471 4.837 81 HB1 ALA 13 1HB ALA 13 114.454 68.237 2.289 82 HB2 ALA 13 2HB ALA 13 112.776 67.699 2.203 83 HB3 ALA 13 3HB ALA 13 113.212 69.065 3.229 84 H ASN 14 H ASN 14 112.012 65.677 5.054 85 HA ASN 14 HA ASN 14 112.802 63.266 3.621 86 HB2 ASN 14 1HB ASN 14 111.069 63.840 5.997 87 HB3 ASN 14 2HB ASN 14 110.867 62.323 5.126 88 HD21 ASN 14 2HD2 ASN 14 112.863 64.167 7.234 89 HD22 ASN 14 1HD2 ASN 14 114.025 62.933 7.568 90 H VAL 15 H VAL 15 111.682 62.370 1.994 91 HA VAL 15 HA VAL 15 109.151 63.663 1.215 92 HB VAL 15 HB VAL 15 109.672 62.690 -1.078 93 HG11 VAL 15 1HG1 VAL 15 111.659 64.727 -0.092 94 HG12 VAL 15 2HG1 VAL 15 110.982 64.571 -1.714 95 HG13 VAL 15 3HG1 VAL 15 109.956 65.087 -0.375 96 HG21 VAL 15 3HG2 VAL 15 111.490 61.179 -0.006 97 HG22 VAL 15 1HG2 VAL 15 111.782 61.887 -1.595 98 HG23 VAL 15 2HG2 VAL 15 112.520 62.602 -0.162 99 HA PRO 16 HA PRO 16 106.952 59.894 1.700 100 HB2 PRO 16 1HB PRO 16 105.128 60.086 -0.301 101 HB3 PRO 16 2HB PRO 16 105.053 61.072 1.164 102 HG2 PRO 16 1HG PRO 16 106.103 61.784 -1.548 103 HG3 PRO 16 2HG PRO 16 105.096 62.746 -0.450 104 HD2 PRO 16 1HD PRO 16 107.766 63.126 -0.685 105 HD3 PRO 16 2HD PRO 16 106.895 63.391 0.838 106 H LEU 17 H LEU 17 108.020 58.055 1.252 107 HA LEU 17 HA LEU 17 108.637 57.414 -1.545 108 HB2 LEU 17 1HB LEU 17 109.684 56.319 1.056 109 HB3 LEU 17 2HB LEU 17 110.056 55.607 -0.513 110 HG LEU 17 HG LEU 17 110.695 58.477 0.099 111 HD11 LEU 17 1HD1 LEU 17 111.824 56.203 1.378 112 HD12 LEU 17 2HD1 LEU 17 112.297 57.896 1.514 113 HD13 LEU 17 3HD1 LEU 17 113.023 56.875 0.272 114 HD21 LEU 17 3HD2 LEU 17 112.258 56.682 -1.689 115 HD22 LEU 17 1HD2 LEU 17 111.976 58.420 -1.796 116 HD23 LEU 17 2HD2 LEU 17 110.699 57.290 -2.250 117 H SER 18 H SER 18 107.327 55.894 1.397 118 HA SER 18 HA SER 18 106.237 53.695 -0.144 119 HB2 SER 18 1HB SER 18 105.529 54.114 2.726 120 HB3 SER 18 2HB SER 18 105.895 52.619 1.865 121 HG SER 18 HG SER 18 107.639 54.514 2.974 122 H ARG 19 H ARG 19 103.863 53.113 0.927 123 HA ARG 19 HA ARG 19 102.174 55.494 0.636 124 HB2 ARG 19 1HB ARG 19 101.746 52.879 -0.822 125 HB3 ARG 19 2HB ARG 19 100.628 54.237 -0.818 126 HG2 ARG 19 1HG ARG 19 102.724 55.546 -1.711 127 HG3 ARG 19 2HG ARG 19 103.240 53.931 -2.202 128 HD2 ARG 19 1HD ARG 19 100.509 54.994 -2.859 129 HD3 ARG 19 2HD ARG 19 101.905 55.322 -3.886 130 HE ARG 19 HE ARG 19 101.934 52.620 -3.579 131 HH11 ARG 19 1HH1 ARG 19 99.551 54.924 -4.643 132 HH12 ARG 19 2HH1 ARG 19 98.767 53.813 -5.718 133 HH21 ARG 19 1HH2 ARG 19 100.911 51.149 -4.990 134 HH22 ARG 19 2HH2 ARG 19 99.541 51.666 -5.914 135 H SER 20 H SER 20 101.775 51.972 1.057 136 HA SER 20 HA SER 20 100.804 52.258 3.734 137 HB2 SER 20 1HB SER 20 98.865 52.921 2.102 138 HB3 SER 20 2HB SER 20 98.739 51.181 1.843 139 HG SER 20 HG SER 20 97.416 51.593 3.532 140 H LYS 21 H LYS 21 99.626 50.016 4.313 141 HA LYS 21 HA LYS 21 100.872 47.779 2.930 142 HB2 LYS 21 1HB LYS 21 102.369 48.769 4.856 143 HB3 LYS 21 2HB LYS 21 101.251 47.896 5.896 144 HG2 LYS 21 1HG LYS 21 101.773 45.830 4.604 145 HG3 LYS 21 2HG LYS 21 103.016 46.746 3.747 146 HD2 LYS 21 1HD LYS 21 103.015 46.743 6.730 147 HD3 LYS 21 2HD LYS 21 103.615 45.322 5.873 148 HE2 LYS 21 1HE LYS 21 105.539 46.571 6.125 149 HE3 LYS 21 2HE LYS 21 105.001 47.059 4.519 150 HZ1 LYS 21 3HZ LYS 21 103.795 48.736 6.414 151 HZ2 LYS 21 1HZ LYS 21 104.915 49.143 5.214 152 HZ3 LYS 21 2HZ LYS 21 105.453 48.678 6.748 153 H ARG 22 H ARG 22 99.917 45.762 3.399 154 HA ARG 22 HA ARG 22 97.667 45.693 5.242 155 HB2 ARG 22 1HB ARG 22 97.359 45.181 2.278 156 HB3 ARG 22 2HB ARG 22 96.141 44.807 3.490 157 HG2 ARG 22 1HG ARG 22 96.046 47.205 4.079 158 HG3 ARG 22 2HG ARG 22 97.182 47.537 2.770 159 HD2 ARG 22 1HD ARG 22 95.637 46.899 1.122 160 HD3 ARG 22 2HD ARG 22 94.602 46.080 2.291 161 HE ARG 22 HE ARG 22 94.634 48.720 3.056 162 HH11 ARG 22 1HH1 ARG 22 93.740 46.935 0.204 163 HH12 ARG 22 2HH1 ARG 22 92.519 48.066 -0.280 164 HH21 ARG 22 1HH2 ARG 22 93.030 50.216 2.430 165 HH22 ARG 22 2HH2 ARG 22 92.117 49.932 0.986 166 HA PRO 23 HA PRO 23 100.182 41.782 4.948 167 HB2 PRO 23 1HB PRO 23 100.601 41.560 7.622 168 HB3 PRO 23 2HB PRO 23 101.660 42.494 6.557 169 HG2 PRO 23 1HG PRO 23 99.456 43.445 8.346 170 HG3 PRO 23 2HG PRO 23 101.065 44.143 8.086 171 HD2 PRO 23 1HD PRO 23 98.840 45.128 6.898 172 HD3 PRO 23 2HD PRO 23 100.437 45.176 6.124 173 H ASP 24 H ASP 24 99.826 39.800 6.559 174 HA ASP 24 HA ASP 24 97.222 39.560 7.706 175 HB2 ASP 24 1HB ASP 24 96.383 39.355 5.509 176 HB3 ASP 24 2HB ASP 24 97.749 38.370 4.991 177 H PHE 25 H PHE 25 97.108 37.851 9.084 178 HA PHE 25 HA PHE 25 99.348 35.938 9.024 179 HB2 PHE 25 1HB PHE 25 99.350 37.738 10.880 180 HB3 PHE 25 2HB PHE 25 98.019 36.818 11.575 181 HD1 PHE 25 HD1 PHE 25 101.278 35.907 9.997 182 HD2 PHE 25 HD2 PHE 25 98.701 35.570 13.367 183 HE1 PHE 25 HE1 PHE 25 102.894 34.398 11.077 184 HE2 PHE 25 HE2 PHE 25 100.313 34.062 14.453 185 HZ PHE 25 HZ PHE 25 102.413 33.475 13.309 186 H GLY 26 H GLY 26 98.882 33.887 10.197 187 HA2 GLY 26 1HA GLY 26 96.334 33.042 10.941 188 HA3 GLY 26 2HA GLY 26 96.492 32.726 9.219 189 H GLN 27 H GLN 27 96.674 31.262 12.081 190 HA GLN 27 HA GLN 27 98.501 29.224 11.056 191 HB2 GLN 27 1HB GLN 27 98.803 30.731 13.619 192 HB3 GLN 27 2HB GLN 27 99.275 29.038 13.568 193 HG2 GLN 27 1HG GLN 27 100.325 31.175 11.727 194 HG3 GLN 27 2HG GLN 27 101.148 30.582 13.169 195 HE21 GLN 27 2HE2 GLN 27 102.227 30.510 10.581 196 HE22 GLN 27 1HE2 GLN 27 102.423 28.857 10.121 197 H ARG 28 H ARG 28 98.456 27.313 12.802 198 HA ARG 28 HA ARG 28 95.712 26.459 12.857 199 HB2 ARG 28 1HB ARG 28 97.645 24.953 12.322 200 HB3 ARG 28 2HB ARG 28 98.130 25.062 14.009 201 HG2 ARG 28 1HG ARG 28 96.131 23.972 14.728 202 HG3 ARG 28 2HG ARG 28 95.451 24.039 13.100 203 HD2 ARG 28 1HD ARG 28 98.064 22.668 13.530 204 HD3 ARG 28 2HD ARG 28 96.578 21.846 14.006 205 HE ARG 28 HE ARG 28 96.361 22.854 11.368 206 HH11 ARG 28 1HH1 ARG 28 97.849 20.314 13.226 207 HH12 ARG 28 2HH1 ARG 28 97.917 19.204 11.897 208 HH21 ARG 28 1HH2 ARG 28 96.445 21.402 9.611 209 HH22 ARG 28 2HH2 ARG 28 97.119 19.824 9.841 210 H ARG 29 H ARG 29 95.140 28.313 14.334 211 HA ARG 29 HA ARG 29 94.826 27.298 16.996 212 HB2 ARG 29 1HB ARG 29 95.871 29.249 18.125 213 HB3 ARG 29 2HB ARG 29 97.033 28.229 17.287 214 HG2 ARG 29 1HG ARG 29 96.712 29.916 15.337 215 HG3 ARG 29 2HG ARG 29 96.089 30.974 16.605 216 HD2 ARG 29 1HD ARG 29 98.725 29.565 16.877 217 HD3 ARG 29 2HD ARG 29 98.586 31.112 16.043 218 HE ARG 29 HE ARG 29 98.500 30.664 18.867 219 HH11 ARG 29 1HH1 ARG 29 97.404 32.743 16.298 220 HH12 ARG 29 2HH1 ARG 29 97.206 34.124 17.325 221 HH21 ARG 29 1HH2 ARG 29 98.243 32.476 20.229 222 HH22 ARG 29 2HH2 ARG 29 97.684 33.972 19.560 223 H ILE 30 H ILE 30 93.390 28.626 18.295 224 HA ILE 30 HA ILE 30 91.367 29.673 18.490 225 HB ILE 30 HB ILE 30 92.934 31.720 16.925 226 HG12 ILE 30 1HG1 ILE 30 93.785 31.088 19.177 227 HG13 ILE 30 2HG1 ILE 30 93.277 32.771 19.081 228 HG21 ILE 30 1HG2 ILE 30 90.861 32.562 16.531 229 HG22 ILE 30 2HG2 ILE 30 90.148 31.760 17.930 230 HG23 ILE 30 3HG2 ILE 30 91.111 33.221 18.147 231 HD11 ILE 30 3HD1 ILE 30 91.793 32.495 20.702 232 HD12 ILE 30 1HD1 ILE 30 91.118 31.055 19.939 233 HD13 ILE 30 2HD1 ILE 30 92.529 30.918 20.988 234 H ARG 31 H ARG 31 90.096 28.230 17.283 235 HA ARG 31 HA ARG 31 89.691 28.770 14.452 236 HB2 ARG 31 1HB ARG 31 88.960 26.576 16.327 237 HB3 ARG 31 2HB ARG 31 87.930 26.825 14.923 238 HG2 ARG 31 1HG ARG 31 89.878 26.580 13.459 239 HG3 ARG 31 2HG ARG 31 90.896 26.305 14.874 240 HD2 ARG 31 1HD ARG 31 88.651 24.583 13.846 241 HD3 ARG 31 2HD ARG 31 90.363 24.174 13.957 242 HE ARG 31 HE ARG 31 88.409 24.028 16.053 243 HH11 ARG 31 1HH1 ARG 31 91.794 24.394 15.330 244 HH12 ARG 31 2HH1 ARG 31 92.321 23.785 16.864 245 HH21 ARG 31 1HH2 ARG 31 89.090 23.224 18.076 246 HH22 ARG 31 2HH2 ARG 31 90.782 23.119 18.425 247 H ARG 32 H ARG 32 88.650 30.761 14.443 248 HA ARG 32 HA ARG 32 86.285 31.217 16.012 249 HB2 ARG 32 1HB ARG 32 87.791 32.765 13.936 250 HB3 ARG 32 2HB ARG 32 86.162 33.261 14.376 251 HG2 ARG 32 1HG ARG 32 88.113 32.784 16.562 252 HG3 ARG 32 2HG ARG 32 88.289 34.241 15.582 253 HD2 ARG 32 1HD ARG 32 85.811 33.391 17.078 254 HD3 ARG 32 2HD ARG 32 86.929 34.666 17.564 255 HE ARG 32 HE ARG 32 86.134 35.404 15.070 256 HH11 ARG 32 1HH1 ARG 32 84.467 34.584 18.015 257 HH12 ARG 32 2HH1 ARG 32 83.114 35.617 17.690 258 HH21 ARG 32 1HH2 ARG 32 84.359 36.767 14.632 259 HH22 ARG 32 2HH2 ARG 32 83.053 36.858 15.765 260 HA PRO 33 HA PRO 33 83.171 29.754 13.290 261 HB2 PRO 33 1HB PRO 33 81.239 31.641 13.562 262 HB3 PRO 33 2HB PRO 33 81.626 30.474 14.831 263 HG2 PRO 33 1HG PRO 33 82.487 33.328 14.556 264 HG3 PRO 33 2HG PRO 33 81.934 32.460 16.000 265 HD2 PRO 33 1HD PRO 33 84.553 32.923 15.492 266 HD3 PRO 33 2HD PRO 33 83.988 31.473 16.348 267 H PHE 34 H PHE 34 81.589 30.577 11.514 268 HA PHE 34 HA PHE 34 83.107 31.552 9.375 269 HB2 PHE 34 1HB PHE 34 80.703 31.955 8.383 270 HB3 PHE 34 2HB PHE 34 81.287 30.319 8.668 271 HD1 PHE 34 HD1 PHE 34 79.830 32.904 10.926 272 HD2 PHE 34 HD2 PHE 34 79.527 28.986 9.293 273 HE1 PHE 34 HE1 PHE 34 77.878 32.462 12.358 274 HE2 PHE 34 HE2 PHE 34 77.574 28.538 10.720 275 HZ PHE 34 HZ PHE 34 76.747 30.277 12.255 276 H THR 35 H THR 35 82.560 33.500 8.056 277 HA THR 35 HA THR 35 82.416 35.829 9.820 278 HB THR 35 HB THR 35 83.046 35.982 6.889 279 HG1 THR 35 HG1 THR 35 84.902 35.350 8.962 280 HG21 THR 35 3HG2 THR 35 82.984 38.126 7.703 281 HG22 THR 35 1HG2 THR 35 84.673 37.732 8.022 282 HG23 THR 35 2HG2 THR 35 83.486 37.643 9.323 283 H VAL 36 H VAL 36 81.030 37.576 9.427 284 HA VAL 36 HA VAL 36 78.412 37.027 8.778 285 HB VAL 36 HB VAL 36 78.929 39.023 9.994 286 HG11 VAL 36 1HG1 VAL 36 80.218 40.150 7.516 287 HG12 VAL 36 2HG1 VAL 36 80.161 40.869 9.126 288 HG13 VAL 36 3HG1 VAL 36 81.121 39.416 8.841 289 HG21 VAL 36 3HG2 VAL 36 76.981 38.925 8.260 290 HG22 VAL 36 1HG2 VAL 36 77.374 40.447 9.059 291 HG23 VAL 36 2HG2 VAL 36 77.929 40.146 7.412 292 H ALA 37 H ALA 37 80.927 38.397 6.683 293 HA ALA 37 HA ALA 37 79.227 38.674 4.414 294 HB1 ALA 37 1HB ALA 37 82.020 38.404 3.732 295 HB2 ALA 37 2HB ALA 37 80.953 39.801 3.581 296 HB3 ALA 37 3HB ALA 37 81.795 39.494 5.100 297 H GLU 38 H GLU 38 81.585 36.233 5.439 298 HA GLU 38 HA GLU 38 81.539 34.638 3.148 299 HB2 GLU 38 1HB GLU 38 82.244 34.216 6.004 300 HB3 GLU 38 2HB GLU 38 81.977 32.779 5.026 301 HG2 GLU 38 1HG GLU 38 84.354 33.603 5.197 302 HG3 GLU 38 2HG GLU 38 83.740 33.306 3.572 303 H VAL 39 H VAL 39 79.446 34.624 5.997 304 HA VAL 39 HA VAL 39 77.948 32.331 5.198 305 HB VAL 39 HB VAL 39 77.272 34.509 7.179 306 HG11 VAL 39 1HG1 VAL 39 75.724 32.267 6.156 307 HG12 VAL 39 2HG1 VAL 39 75.894 32.241 7.912 308 HG13 VAL 39 3HG1 VAL 39 75.209 33.656 7.112 309 HG21 VAL 39 3HG2 VAL 39 78.958 33.514 8.291 310 HG22 VAL 39 1HG2 VAL 39 77.755 32.268 8.624 311 HG23 VAL 39 2HG2 VAL 39 78.895 32.060 7.294 312 H GLU 40 H GLU 40 77.553 35.812 4.822 313 HA GLU 40 HA GLU 40 74.914 35.782 3.836 314 HB2 GLU 40 1HB GLU 40 75.172 38.009 3.745 315 HB3 GLU 40 2HB GLU 40 76.750 37.729 4.469 316 HG2 GLU 40 1HG GLU 40 77.740 37.633 2.220 317 HG3 GLU 40 2HG GLU 40 76.158 37.990 1.530 318 H LEU 41 H LEU 41 78.037 35.388 2.273 319 HA LEU 41 HA LEU 41 76.977 35.471 -0.391 320 HB2 LEU 41 1HB LEU 41 79.621 34.378 0.555 321 HB3 LEU 41 2HB LEU 41 79.193 34.822 -1.096 322 HG LEU 41 HG LEU 41 79.008 36.966 0.934 323 HD11 LEU 41 1HD1 LEU 41 81.077 35.755 1.562 324 HD12 LEU 41 2HD1 LEU 41 81.371 37.389 0.969 325 HD13 LEU 41 3HD1 LEU 41 81.678 36.003 -0.077 326 HD21 LEU 41 3HD2 LEU 41 78.511 37.559 -1.296 327 HD22 LEU 41 1HD2 LEU 41 79.927 36.711 -1.918 328 HD23 LEU 41 2HD2 LEU 41 80.128 38.190 -0.978 329 H LEU 42 H LEU 42 77.859 32.951 1.911 330 HA LEU 42 HA LEU 42 77.630 30.747 0.185 331 HB2 LEU 42 1HB LEU 42 78.589 30.029 2.086 332 HB3 LEU 42 2HB LEU 42 77.733 31.206 3.080 333 HG LEU 42 HG LEU 42 75.738 29.743 3.028 334 HD11 LEU 42 1HD1 LEU 42 77.220 28.436 0.978 335 HD12 LEU 42 2HD1 LEU 42 75.574 28.123 1.528 336 HD13 LEU 42 3HD1 LEU 42 76.931 27.292 2.289 337 HD21 LEU 42 3HD2 LEU 42 77.857 29.593 4.651 338 HD22 LEU 42 1HD2 LEU 42 77.894 27.959 3.987 339 HD23 LEU 42 2HD2 LEU 42 76.449 28.542 4.813 340 H VAL 43 H VAL 43 75.246 32.437 2.169 341 HA VAL 43 HA VAL 43 73.119 30.613 1.594 342 HB VAL 43 HB VAL 43 71.648 32.333 2.583 343 HG11 VAL 43 1HG1 VAL 43 73.343 32.524 4.743 344 HG12 VAL 43 2HG1 VAL 43 72.261 31.174 4.392 345 HG13 VAL 43 3HG1 VAL 43 73.949 31.110 3.881 346 HG21 VAL 43 3HG2 VAL 43 72.704 34.361 3.562 347 HG22 VAL 43 1HG2 VAL 43 74.184 33.960 2.690 348 HG23 VAL 43 2HG2 VAL 43 72.711 34.342 1.798 349 H GLU 44 H GLU 44 74.210 33.691 0.261 350 HA GLU 44 HA GLU 44 72.001 34.179 -1.412 351 HB2 GLU 44 1HB GLU 44 73.147 36.013 -2.029 352 HB3 GLU 44 2HB GLU 44 74.285 35.539 -0.776 353 HG2 GLU 44 1HG GLU 44 75.548 34.268 -2.511 354 HG3 GLU 44 2HG GLU 44 74.479 34.973 -3.722 355 H ALA 45 H ALA 45 74.863 32.203 -1.799 356 HA ALA 45 HA ALA 45 74.678 31.783 -4.585 357 HB1 ALA 45 1HB ALA 45 75.890 30.018 -2.460 358 HB2 ALA 45 2HB ALA 45 76.155 29.865 -4.197 359 HB3 ALA 45 3HB ALA 45 76.713 31.304 -3.344 360 H VAL 46 H VAL 46 73.521 29.852 -1.829 361 HA VAL 46 HA VAL 46 72.226 27.921 -3.511 362 HB VAL 46 HB VAL 46 72.975 27.134 -1.395 363 HG11 VAL 46 1HG1 VAL 46 73.121 29.116 -0.108 364 HG12 VAL 46 2HG1 VAL 46 71.386 29.413 -0.238 365 HG13 VAL 46 3HG1 VAL 46 71.981 28.064 0.731 366 HG21 VAL 46 3HG2 VAL 46 69.977 27.418 -1.228 367 HG22 VAL 46 1HG2 VAL 46 70.829 26.226 -2.209 368 HG23 VAL 46 2HG2 VAL 46 70.963 26.180 -0.451 369 H GLU 47 H GLU 47 71.277 30.837 -1.819 370 HA GLU 47 HA GLU 47 68.467 30.444 -2.069 371 HB2 GLU 47 1HB GLU 47 70.208 32.804 -1.426 372 HB3 GLU 47 2HB GLU 47 68.482 33.013 -1.685 373 HG2 GLU 47 1HG GLU 47 68.052 31.367 0.105 374 HG3 GLU 47 2HG GLU 47 69.788 31.283 0.402 375 H HIS 48 H HIS 48 70.854 32.312 -3.915 376 HA HIS 48 HA HIS 48 69.207 33.583 -5.717 377 HB2 HIS 48 1HB HIS 48 71.662 33.904 -5.570 378 HB3 HIS 48 2HB HIS 48 71.894 32.338 -6.341 379 HD1 HIS 48 HD1 HIS 48 73.001 33.211 -8.449 380 HD2 HIS 48 HD2 HIS 48 69.299 34.946 -7.710 381 HE1 HIS 48 HE1 HIS 48 72.431 34.492 -10.536 382 H LEU 49 H LEU 49 70.133 30.219 -5.600 383 HA LEU 49 HA LEU 49 68.739 29.716 -8.134 384 HB2 LEU 49 1HB LEU 49 70.247 27.630 -6.620 385 HB3 LEU 49 2HB LEU 49 69.938 27.748 -8.351 386 HG LEU 49 HG LEU 49 71.833 29.540 -6.835 387 HD11 LEU 49 1HD1 LEU 49 72.636 27.333 -8.696 388 HD12 LEU 49 2HD1 LEU 49 72.409 27.042 -6.972 389 HD13 LEU 49 3HD1 LEU 49 73.615 28.206 -7.518 390 HD21 LEU 49 3HD2 LEU 49 70.795 30.402 -8.958 391 HD22 LEU 49 1HD2 LEU 49 71.595 29.075 -9.800 392 HD23 LEU 49 2HD2 LEU 49 72.557 30.296 -8.967 393 H GLY 50 H GLY 50 68.365 29.489 -4.766 394 HA2 GLY 50 1HA GLY 50 66.575 28.766 -3.510 395 HA3 GLY 50 2HA GLY 50 65.740 28.403 -5.013 396 H THR 51 H THR 51 66.205 26.362 -6.063 397 HA THR 51 HA THR 51 67.537 24.335 -4.454 398 HB THR 51 HB THR 51 65.297 24.221 -3.553 399 HG1 THR 51 HG1 THR 51 65.431 22.116 -3.654 400 HG21 THR 51 3HG2 THR 51 63.640 23.341 -5.572 401 HG22 THR 51 1HG2 THR 51 64.548 24.642 -6.340 402 HG23 THR 51 2HG2 THR 51 63.635 24.956 -4.865 403 H GLY 52 H GLY 52 68.626 25.116 -6.696 404 HA2 GLY 52 1HA GLY 52 67.733 23.210 -8.769 405 HA3 GLY 52 2HA GLY 52 68.583 24.711 -9.107 406 H ARG 53 H ARG 53 70.550 24.288 -9.840 407 HA ARG 53 HA ARG 53 71.939 21.871 -9.053 408 HB2 ARG 53 1HB ARG 53 72.854 24.095 -10.885 409 HB3 ARG 53 2HB ARG 53 73.590 22.506 -10.723 410 HG2 ARG 53 1HG ARG 53 71.868 21.448 -11.847 411 HG3 ARG 53 2HG ARG 53 70.728 22.759 -11.541 412 HD2 ARG 53 1HD ARG 53 73.168 23.244 -13.201 413 HD3 ARG 53 2HD ARG 53 71.756 22.464 -13.913 414 HE ARG 53 HE ARG 53 70.945 24.798 -12.576 415 HH11 ARG 53 1HH1 ARG 53 72.726 23.795 -15.394 416 HH12 ARG 53 2HH1 ARG 53 72.349 25.223 -16.301 417 HH21 ARG 53 1HH2 ARG 53 70.442 26.682 -13.759 418 HH22 ARG 53 2HH2 ARG 53 71.050 26.864 -15.369 419 H TRP 54 H TRP 54 73.550 21.724 -7.616 420 HA TRP 54 HA TRP 54 74.130 23.931 -5.908 421 HB2 TRP 54 1HB TRP 54 75.678 21.345 -6.028 422 HB3 TRP 54 2HB TRP 54 75.456 22.414 -4.647 423 HD1 TRP 54 HD1 TRP 54 72.496 22.692 -4.234 424 HE1 TRP 54 HE1 TRP 54 70.937 20.690 -3.802 425 HE3 TRP 54 HE3 TRP 54 75.394 18.967 -6.198 426 HZ2 TRP 54 HZ2 TRP 54 70.936 17.901 -4.236 427 HZ3 TRP 54 HZ3 TRP 54 74.541 16.659 -6.150 428 HH2 TRP 54 HH2 TRP 54 72.358 16.139 -5.188 429 H ARG 55 H ARG 55 75.572 22.642 -8.766 430 HA ARG 55 HA ARG 55 78.217 23.459 -8.498 431 HB2 ARG 55 1HB ARG 55 78.268 23.516 -10.968 432 HB3 ARG 55 2HB ARG 55 77.494 22.065 -10.346 433 HG2 ARG 55 1HG ARG 55 75.310 23.503 -10.654 434 HG3 ARG 55 2HG ARG 55 76.321 24.362 -11.818 435 HD2 ARG 55 1HD ARG 55 75.744 21.401 -11.795 436 HD3 ARG 55 2HD ARG 55 75.061 22.586 -12.908 437 HE ARG 55 HE ARG 55 77.898 22.621 -12.994 438 HH11 ARG 55 1HH1 ARG 55 75.121 20.800 -14.041 439 HH12 ARG 55 2HH1 ARG 55 75.918 20.134 -15.428 440 HH21 ARG 55 1HH2 ARG 55 78.957 21.751 -14.818 441 HH22 ARG 55 2HH2 ARG 55 78.100 20.676 -15.868 442 H ASP 56 H ASP 56 75.391 25.274 -9.620 443 HA ASP 56 HA ASP 56 76.788 27.630 -10.318 444 HB2 ASP 56 1HB ASP 56 73.999 26.789 -10.054 445 HB3 ASP 56 2HB ASP 56 74.254 28.477 -9.620 446 H VAL 57 H VAL 57 75.645 26.360 -7.298 447 HA VAL 57 HA VAL 57 75.635 28.786 -5.825 448 HB VAL 57 HB VAL 57 75.978 25.946 -4.853 449 HG11 VAL 57 1HG1 VAL 57 74.973 28.185 -3.155 450 HG12 VAL 57 2HG1 VAL 57 75.736 26.667 -2.679 451 HG13 VAL 57 3HG1 VAL 57 76.709 27.967 -3.369 452 HG21 VAL 57 3HG2 VAL 57 73.548 26.307 -4.184 453 HG22 VAL 57 1HG2 VAL 57 73.575 27.703 -5.261 454 HG23 VAL 57 2HG2 VAL 57 73.876 26.089 -5.903 455 H LYS 58 H LYS 58 78.029 26.164 -6.089 456 HA LYS 58 HA LYS 58 79.970 27.394 -4.446 457 HB2 LYS 58 1HB LYS 58 79.895 24.963 -5.054 458 HB3 LYS 58 2HB LYS 58 80.452 25.399 -6.665 459 HG2 LYS 58 1HG LYS 58 82.499 26.342 -5.679 460 HG3 LYS 58 2HG LYS 58 81.943 25.829 -4.083 461 HD2 LYS 58 1HD LYS 58 83.448 24.160 -4.833 462 HD3 LYS 58 2HD LYS 58 81.828 23.483 -5.015 463 HE2 LYS 58 1HE LYS 58 83.225 23.008 -6.966 464 HE3 LYS 58 2HE LYS 58 81.851 24.029 -7.388 465 HZ1 LYS 58 3HZ LYS 58 84.071 24.684 -8.346 466 HZ2 LYS 58 1HZ LYS 58 84.526 25.145 -6.782 467 HZ3 LYS 58 2HZ LYS 58 83.224 25.909 -7.545 468 H PHE 59 H PHE 59 79.263 27.592 -7.874 469 HA PHE 59 HA PHE 59 81.671 29.001 -8.540 470 HB2 PHE 59 1HB PHE 59 79.117 28.400 -10.011 471 HB3 PHE 59 2HB PHE 59 80.327 29.482 -10.694 472 HD1 PHE 59 HD1 PHE 59 82.839 28.239 -10.026 473 HD2 PHE 59 HD2 PHE 59 79.169 26.438 -11.209 474 HE1 PHE 59 HE1 PHE 59 84.077 26.303 -10.904 475 HE2 PHE 59 HE2 PHE 59 80.400 24.498 -12.088 476 HZ PHE 59 HZ PHE 59 82.857 24.428 -11.936 477 H ARG 60 H ARG 60 78.278 29.907 -8.040 478 HA ARG 60 HA ARG 60 78.652 32.668 -8.566 479 HB2 ARG 60 1HB ARG 60 76.454 31.496 -8.648 480 HB3 ARG 60 2HB ARG 60 76.498 31.361 -6.895 481 HG2 ARG 60 1HG ARG 60 75.193 33.218 -7.152 482 HG3 ARG 60 2HG ARG 60 76.788 33.960 -7.005 483 HD2 ARG 60 1HD ARG 60 75.910 33.207 -9.728 484 HD3 ARG 60 2HD ARG 60 75.064 34.554 -8.969 485 HE ARG 60 HE ARG 60 77.819 34.948 -8.663 486 HH11 ARG 60 1HH1 ARG 60 75.405 34.880 -11.171 487 HH12 ARG 60 2HH1 ARG 60 76.250 35.994 -12.195 488 HH21 ARG 60 1HH2 ARG 60 78.941 36.415 -10.002 489 HH22 ARG 60 2HH2 ARG 60 78.261 36.866 -11.529 490 H ALA 61 H ALA 61 78.697 30.729 -5.614 491 HA ALA 61 HA ALA 61 78.797 32.791 -3.737 492 HB1 ALA 61 1HB ALA 61 80.200 30.135 -3.505 493 HB2 ALA 61 2HB ALA 61 79.641 31.172 -2.192 494 HB3 ALA 61 3HB ALA 61 78.472 30.370 -3.240 495 H PHE 62 H PHE 62 81.621 30.814 -4.642 496 HA PHE 62 HA PHE 62 83.279 32.965 -5.368 497 HB2 PHE 62 1HB PHE 62 83.046 32.445 -2.503 498 HB3 PHE 62 2HB PHE 62 84.707 32.356 -3.078 499 HD1 PHE 62 HD2 PHE 62 85.202 34.362 -4.876 500 HD2 PHE 62 HD1 PHE 62 82.437 34.468 -1.642 501 HE1 PHE 62 HE2 PHE 62 85.345 36.818 -4.839 502 HE2 PHE 62 HE1 PHE 62 82.575 36.924 -1.600 503 HZ PHE 62 HZ PHE 62 84.031 38.102 -3.199 504 H GLU 63 H GLU 63 84.020 31.630 -6.963 505 HA GLU 63 HA GLU 63 84.683 28.970 -6.837 506 HB2 GLU 63 1HB GLU 63 84.653 30.072 -8.955 507 HB3 GLU 63 2HB GLU 63 85.914 31.193 -8.461 508 HG2 GLU 63 1HG GLU 63 87.530 29.381 -8.402 509 HG3 GLU 63 2HG GLU 63 86.271 28.229 -8.845 510 H ASN 64 H ASN 64 85.947 27.971 -5.421 511 HA ASN 64 HA ASN 64 87.778 27.381 -4.205 512 HB2 ASN 64 1HB ASN 64 89.326 29.548 -5.619 513 HB3 ASN 64 2HB ASN 64 89.938 28.050 -4.925 514 HD21 ASN 64 2HD2 ASN 64 90.366 28.989 -7.573 515 HD22 ASN 64 1HD2 ASN 64 89.666 27.836 -8.652 516 H VAL 65 H VAL 65 85.956 29.198 -3.115 517 HA VAL 65 HA VAL 65 86.914 31.536 -2.025 518 HB VAL 65 HB VAL 65 84.610 30.910 -1.724 519 HG11 VAL 65 1HG1 VAL 65 85.494 28.769 0.199 520 HG12 VAL 65 2HG1 VAL 65 83.864 29.085 -0.398 521 HG13 VAL 65 3HG1 VAL 65 85.097 28.453 -1.489 522 HG21 VAL 65 3HG2 VAL 65 85.961 32.264 0.060 523 HG22 VAL 65 1HG2 VAL 65 84.296 31.781 0.384 524 HG23 VAL 65 2HG2 VAL 65 85.632 30.863 1.080 525 H HIS 66 H HIS 66 87.290 28.240 -0.764 526 HA HIS 66 HA HIS 66 89.819 28.682 0.336 527 HB2 HIS 66 1HB HIS 66 88.049 30.003 1.875 528 HB3 HIS 66 2HB HIS 66 87.962 28.416 2.634 529 HD1 HIS 66 HD1 HIS 66 91.111 27.873 2.068 530 HD2 HIS 66 HD2 HIS 66 89.405 31.089 4.070 531 HE1 HIS 66 HE1 HIS 66 92.921 28.768 3.567 532 H HIS 67 H HIS 67 88.904 26.673 -1.165 533 HA HIS 67 HA HIS 67 88.874 24.404 -1.337 534 HB2 HIS 67 1HB HIS 67 90.240 24.911 1.222 535 HB3 HIS 67 2HB HIS 67 89.532 23.305 1.076 536 HD1 HIS 67 HD1 HIS 67 92.051 25.554 -0.615 537 HD2 HIS 67 HD2 HIS 67 90.924 21.557 -0.521 538 HE1 HIS 67 HE1 HIS 67 93.818 24.326 -1.916 539 H ARG 68 H ARG 68 86.495 24.882 -1.441 540 HA ARG 68 HA ARG 68 85.122 23.373 0.677 541 HB2 ARG 68 1HB ARG 68 84.834 26.081 0.361 542 HB3 ARG 68 2HB ARG 68 83.505 25.460 -0.609 543 HG2 ARG 68 1HG ARG 68 82.662 25.849 1.568 544 HG3 ARG 68 2HG ARG 68 82.812 24.101 1.379 545 HD2 ARG 68 1HD ARG 68 85.208 25.379 2.456 546 HD3 ARG 68 2HD ARG 68 83.784 25.572 3.478 547 HE ARG 68 HE ARG 68 84.194 22.876 2.579 548 HH11 ARG 68 1HH1 ARG 68 85.030 25.241 4.993 549 HH12 ARG 68 2HH1 ARG 68 85.444 24.062 6.192 550 HH21 ARG 68 1HH2 ARG 68 84.736 21.313 4.150 551 HH22 ARG 68 2HH2 ARG 68 85.277 21.828 5.712 552 H THR 69 H THR 69 82.763 22.888 -0.145 553 HA THR 69 HA THR 69 82.844 22.161 -2.991 554 HB THR 69 HB THR 69 81.751 20.255 -0.934 555 HG1 THR 69 HG1 THR 69 83.807 19.148 -1.207 556 HG21 THR 69 3HG2 THR 69 82.727 18.843 -3.084 557 HG22 THR 69 1HG2 THR 69 82.091 20.306 -3.834 558 HG23 THR 69 2HG2 THR 69 81.042 19.299 -2.836 559 H TYR 70 H TYR 70 80.843 22.040 -4.025 560 HA TYR 70 HA TYR 70 78.892 23.838 -3.299 561 HB2 TYR 70 1HB TYR 70 77.416 22.643 -4.919 562 HB3 TYR 70 2HB TYR 70 79.018 22.996 -5.556 563 HD1 TYR 70 HD2 TYR 70 80.627 21.200 -5.946 564 HD2 TYR 70 HD1 TYR 70 76.712 20.366 -4.505 565 HE1 TYR 70 HE2 TYR 70 80.927 18.827 -6.519 566 HE2 TYR 70 HE1 TYR 70 77.002 17.991 -5.073 567 HH TYR 70 HH TYR 70 78.661 16.737 -6.952 568 H VAL 71 H VAL 71 79.056 20.381 -2.586 569 HA VAL 71 HA VAL 71 76.501 20.116 -1.439 570 HB VAL 71 HB VAL 71 77.823 18.171 -2.089 571 HG11 VAL 71 1HG1 VAL 71 79.846 17.572 -1.189 572 HG12 VAL 71 2HG1 VAL 71 79.975 19.331 -1.127 573 HG13 VAL 71 3HG1 VAL 71 79.548 18.425 0.326 574 HG21 VAL 71 3HG2 VAL 71 76.544 17.060 -0.653 575 HG22 VAL 71 1HG2 VAL 71 77.740 17.340 0.613 576 HG23 VAL 71 2HG2 VAL 71 76.425 18.489 0.374 577 H ASP 72 H ASP 72 79.601 21.101 -0.098 578 HA ASP 72 HA ASP 72 78.825 21.048 2.625 579 HB2 ASP 72 1HB ASP 72 81.002 22.585 1.198 580 HB3 ASP 72 2HB ASP 72 80.810 22.556 2.949 581 H LEU 73 H LEU 73 78.674 23.513 0.117 582 HA LEU 73 HA LEU 73 77.959 25.674 1.790 583 HB2 LEU 73 1HB LEU 73 77.151 25.343 -1.087 584 HB3 LEU 73 2HB LEU 73 77.394 26.844 -0.196 585 HG LEU 73 HG LEU 73 79.470 24.940 -1.248 586 HD11 LEU 73 1HD1 LEU 73 80.151 26.688 -2.595 587 HD12 LEU 73 2HD1 LEU 73 79.408 27.911 -1.565 588 HD13 LEU 73 3HD1 LEU 73 78.398 26.886 -2.584 589 HD21 LEU 73 3HD2 LEU 73 80.406 25.359 0.816 590 HD22 LEU 73 1HD2 LEU 73 79.669 26.956 0.946 591 HD23 LEU 73 2HD2 LEU 73 81.037 26.703 -0.137 592 H LYS 74 H LYS 74 76.011 23.408 -0.128 593 HA LYS 74 HA LYS 74 73.500 24.507 0.477 594 HB2 LYS 74 1HB LYS 74 73.858 22.892 -1.337 595 HB3 LYS 74 2HB LYS 74 74.217 21.638 -0.158 596 HG2 LYS 74 1HG LYS 74 71.964 21.387 -0.982 597 HG3 LYS 74 2HG LYS 74 71.936 21.834 0.726 598 HD2 LYS 74 1HD LYS 74 71.413 24.121 0.164 599 HD3 LYS 74 2HD LYS 74 71.588 23.775 -1.558 600 HE2 LYS 74 1HE LYS 74 69.509 22.624 0.300 601 HE3 LYS 74 2HE LYS 74 69.240 23.851 -0.937 602 HZ1 LYS 74 3HZ LYS 74 68.747 22.146 -2.259 603 HZ2 LYS 74 1HZ LYS 74 69.405 21.001 -1.201 604 HZ3 LYS 74 2HZ LYS 74 70.405 21.810 -2.300 605 H ASP 75 H ASP 75 75.344 21.917 2.055 606 HA ASP 75 HA ASP 75 73.408 21.297 4.008 607 HB2 ASP 75 1HB ASP 75 75.619 20.058 3.276 608 HB3 ASP 75 2HB ASP 75 76.326 20.994 4.590 609 H LYS 76 H LYS 76 76.033 23.637 3.916 610 HA LYS 76 HA LYS 76 75.970 24.388 6.631 611 HB2 LYS 76 1HB LYS 76 76.948 25.694 4.117 612 HB3 LYS 76 2HB LYS 76 76.916 26.608 5.619 613 HG2 LYS 76 1HG LYS 76 78.189 23.931 5.667 614 HG3 LYS 76 2HG LYS 76 79.041 25.237 4.840 615 HD2 LYS 76 1HD LYS 76 79.858 25.453 6.983 616 HD3 LYS 76 2HD LYS 76 78.497 26.575 7.022 617 HE2 LYS 76 1HE LYS 76 77.197 25.157 8.305 618 HE3 LYS 76 2HE LYS 76 78.090 23.721 7.806 619 HZ1 LYS 76 3HZ LYS 76 79.415 23.921 9.553 620 HZ2 LYS 76 1HZ LYS 76 78.436 25.179 10.123 621 HZ3 LYS 76 2HZ LYS 76 79.792 25.526 9.173 622 H TRP 77 H TRP 77 74.217 25.575 3.802 623 HA TRP 77 HA TRP 77 72.964 27.755 5.102 624 HB2 TRP 77 1HB TRP 77 72.998 27.843 2.746 625 HB3 TRP 77 2HB TRP 77 72.354 26.211 2.590 626 HD1 TRP 77 HD1 TRP 77 71.239 29.802 3.364 627 HE1 TRP 77 HE1 TRP 77 68.694 29.958 3.017 628 HE3 TRP 77 HE3 TRP 77 70.225 24.855 2.565 629 HZ2 TRP 77 HZ2 TRP 77 66.541 28.214 2.477 630 HZ3 TRP 77 HZ3 TRP 77 67.897 24.182 2.141 631 HH2 TRP 77 HH2 TRP 77 66.094 25.828 2.099 632 H LYS 78 H LYS 78 71.952 24.414 4.494 633 HA LYS 78 HA LYS 78 69.348 24.622 5.513 634 HB2 LYS 78 1HB LYS 78 69.996 22.706 4.202 635 HB3 LYS 78 2HB LYS 78 71.231 22.264 5.374 636 HG2 LYS 78 1HG LYS 78 69.313 20.813 5.587 637 HG3 LYS 78 2HG LYS 78 69.480 21.813 7.032 638 HD2 LYS 78 1HD LYS 78 67.711 23.257 6.317 639 HD3 LYS 78 2HD LYS 78 67.642 22.476 4.736 640 HE2 LYS 78 1HE LYS 78 65.866 21.487 5.822 641 HE3 LYS 78 2HE LYS 78 67.158 20.328 6.129 642 HZ1 LYS 78 3HZ LYS 78 65.626 21.804 7.986 643 HZ2 LYS 78 1HZ LYS 78 67.263 22.189 8.176 644 HZ3 LYS 78 2HZ LYS 78 66.756 20.579 8.277 645 H THR 79 H THR 79 72.417 23.860 7.094 646 HA THR 79 HA THR 79 71.323 23.254 9.633 647 HB THR 79 HB THR 79 74.083 24.387 9.237 648 HG1 THR 79 HG1 THR 79 74.544 22.727 8.022 649 HG21 THR 79 3HG2 THR 79 73.472 23.975 11.527 650 HG22 THR 79 1HG2 THR 79 74.610 22.727 11.022 651 HG23 THR 79 2HG2 THR 79 72.888 22.360 11.128 652 H LEU 80 H LEU 80 72.877 26.209 8.385 653 HA LEU 80 HA LEU 80 72.570 27.768 10.680 654 HB2 LEU 80 1HB LEU 80 73.452 29.421 9.448 655 HB3 LEU 80 2HB LEU 80 73.727 28.135 8.275 656 HG LEU 80 HG LEU 80 71.366 28.856 7.388 657 HD11 LEU 80 1HD1 LEU 80 71.989 30.901 9.348 658 HD12 LEU 80 2HD1 LEU 80 70.480 30.567 8.501 659 HD13 LEU 80 3HD1 LEU 80 71.712 31.573 7.741 660 HD21 LEU 80 3HD2 LEU 80 72.527 29.656 5.655 661 HD22 LEU 80 1HD2 LEU 80 73.964 29.296 6.613 662 HD23 LEU 80 2HD2 LEU 80 73.279 30.921 6.628 663 H VAL 81 H VAL 81 70.324 26.991 8.117 664 HA VAL 81 HA VAL 81 68.397 28.990 8.712 665 HB VAL 81 HB VAL 81 68.261 26.392 7.206 666 HG11 VAL 81 1HG1 VAL 81 66.096 26.524 8.146 667 HG12 VAL 81 2HG1 VAL 81 66.006 28.267 7.879 668 HG13 VAL 81 3HG1 VAL 81 65.954 27.159 6.507 669 HG21 VAL 81 3HG2 VAL 81 69.352 28.553 6.327 670 HG22 VAL 81 1HG2 VAL 81 68.203 27.712 5.286 671 HG23 VAL 81 2HG2 VAL 81 67.700 29.151 6.173 672 H HIS 82 H HIS 82 68.672 25.560 9.604 673 HA HIS 82 HA HIS 82 66.297 25.383 11.079 674 HB2 HIS 82 1HB HIS 82 67.831 23.489 10.306 675 HB3 HIS 82 2HB HIS 82 68.807 23.843 11.728 676 HD1 HIS 82 HD1 HIS 82 65.056 23.370 11.218 677 HD2 HIS 82 HD2 HIS 82 68.168 22.054 13.636 678 HE1 HIS 82 HE1 HIS 82 64.004 21.789 12.866 679 H THR 83 H THR 83 69.547 26.382 12.012 680 HA THR 83 HA THR 83 68.955 26.596 14.800 681 HB THR 83 HB THR 83 71.206 27.941 13.298 682 HG1 THR 83 HG1 THR 83 71.705 25.894 12.925 683 HG21 THR 83 3HG2 THR 83 70.978 27.093 16.188 684 HG22 THR 83 1HG2 THR 83 70.801 28.746 15.600 685 HG23 THR 83 2HG2 THR 83 72.348 27.914 15.440 686 H ALA 84 H ALA 84 68.738 28.728 12.046 687 HA ALA 84 HA ALA 84 68.335 31.094 13.665 688 HB1 ALA 84 1HB ALA 84 67.630 31.892 11.196 689 HB2 ALA 84 2HB ALA 84 69.300 31.825 11.761 690 HB3 ALA 84 3HB ALA 84 68.644 30.506 10.793 691 H SER 85 H SER 85 66.444 28.508 12.758 692 HA SER 85 HA SER 85 63.972 30.098 12.717 693 HB2 SER 85 1HB SER 85 64.638 28.231 10.953 694 HB3 SER 85 2HB SER 85 63.967 27.159 12.182 695 HG SER 85 HG SER 85 62.441 27.959 10.578 696 H ILE 86 H ILE 86 65.622 27.475 14.380 697 HA ILE 86 HA ILE 86 63.626 26.545 16.042 698 HB ILE 86 HB ILE 86 65.463 26.069 17.702 699 HG12 ILE 86 1HG1 ILE 86 67.233 27.232 15.542 700 HG13 ILE 86 2HG1 ILE 86 66.853 28.050 17.053 701 HG21 ILE 86 1HG2 ILE 86 65.630 24.177 16.558 702 HG22 ILE 86 2HG2 ILE 86 64.969 24.988 15.139 703 HG23 ILE 86 3HG2 ILE 86 66.712 24.950 15.400 704 HD11 ILE 86 3HD1 ILE 86 67.811 25.971 18.194 705 HD12 ILE 86 1HD1 ILE 86 68.493 25.588 16.614 706 HD13 ILE 86 2HD1 ILE 86 68.935 27.091 17.425 707 H ALA 87 H ALA 87 63.625 26.904 18.508 708 HA ALA 87 HA ALA 87 62.596 29.422 19.068 709 HB1 ALA 87 1HB ALA 87 63.434 28.509 21.525 710 HB2 ALA 87 2HB ALA 87 61.894 28.135 20.749 711 HB3 ALA 87 3HB ALA 87 63.257 27.028 20.582 712 HA PRO 88 HA PRO 88 65.970 32.104 19.888 713 HB2 PRO 88 1HB PRO 88 65.090 33.511 22.038 714 HB3 PRO 88 2HB PRO 88 64.429 33.727 20.412 715 HG2 PRO 88 1HG PRO 88 63.340 32.138 22.704 716 HG3 PRO 88 2HG PRO 88 62.484 33.204 21.574 717 HD2 PRO 88 1HD PRO 88 62.478 30.508 21.322 718 HD3 PRO 88 2HD PRO 88 62.404 31.598 19.923 719 H GLN 89 H GLN 89 64.709 30.478 22.784 720 HA GLN 89 HA GLN 89 66.985 30.874 24.397 721 HB2 GLN 89 1HB GLN 89 66.065 29.012 25.765 722 HB3 GLN 89 2HB GLN 89 64.882 30.261 25.401 723 HG2 GLN 89 1HG GLN 89 63.862 28.892 23.722 724 HG3 GLN 89 2HG GLN 89 65.130 27.678 23.880 725 HE21 GLN 89 2HE2 GLN 89 65.098 26.267 25.595 726 HE22 GLN 89 1HE2 GLN 89 63.741 26.104 26.652 727 H GLN 90 H GLN 90 66.273 28.612 21.874 728 HA GLN 90 HA GLN 90 68.408 26.798 22.598 729 HB2 GLN 90 1HB GLN 90 66.730 26.897 20.085 730 HB3 GLN 90 2HB GLN 90 67.784 25.578 20.576 731 HG2 GLN 90 1HG GLN 90 66.306 25.521 22.702 732 HG3 GLN 90 2HG GLN 90 65.156 26.419 21.712 733 HE21 GLN 90 2HE2 GLN 90 63.766 24.579 21.989 734 HE22 GLN 90 1HE2 GLN 90 63.965 23.190 20.982 735 H ARG 91 H ARG 91 67.945 29.562 20.564 736 HA ARG 91 HA ARG 91 70.246 29.103 18.911 737 HB2 ARG 91 1HB ARG 91 68.160 30.507 18.355 738 HB3 ARG 91 2HB ARG 91 68.911 31.766 19.327 739 HG2 ARG 91 1HG ARG 91 70.969 31.249 17.745 740 HG3 ARG 91 2HG ARG 91 69.680 30.703 16.670 741 HD2 ARG 91 1HD ARG 91 69.948 33.425 17.938 742 HD3 ARG 91 2HD ARG 91 70.174 33.027 16.236 743 HE ARG 91 HE ARG 91 67.645 32.224 16.696 744 HH11 ARG 91 1HH1 ARG 91 69.336 35.194 17.361 745 HH12 ARG 91 2HH1 ARG 91 67.922 36.184 17.213 746 HH21 ARG 91 1HH2 ARG 91 65.777 33.518 16.498 747 HH22 ARG 91 2HH2 ARG 91 65.898 35.230 16.723 748 H ARG 92 H ARG 92 71.557 28.672 20.960 749 HA ARG 92 HA ARG 92 72.621 31.183 22.063 750 HB2 ARG 92 1HB ARG 92 72.726 28.353 23.115 751 HB3 ARG 92 2HB ARG 92 73.607 29.695 23.833 752 HG2 ARG 92 1HG ARG 92 70.659 29.914 23.449 753 HG3 ARG 92 2HG ARG 92 71.302 28.970 24.794 754 HD2 ARG 92 1HD ARG 92 72.779 31.167 25.096 755 HD3 ARG 92 2HD ARG 92 71.380 31.893 24.305 756 HE ARG 92 HE ARG 92 70.644 30.190 26.479 757 HH11 ARG 92 1HH1 ARG 92 71.781 33.375 25.652 758 HH12 ARG 92 2HH1 ARG 92 71.130 34.119 27.075 759 HH21 ARG 92 1HH2 ARG 92 69.782 31.158 28.356 760 HH22 ARG 92 2HH2 ARG 92 69.994 32.857 28.613 761 H GLY 93 H GLY 93 74.105 31.758 20.511 762 HA2 GLY 93 1HA GLY 93 76.508 30.094 20.420 763 HA3 GLY 93 2HA GLY 93 75.740 30.476 18.886 764 H ALA 94 H ALA 94 77.024 31.904 17.907 765 HA ALA 94 HA ALA 94 78.277 34.032 19.471 766 HB1 ALA 94 1HB ALA 94 79.958 33.388 18.131 767 HB2 ALA 94 2HB ALA 94 78.870 32.675 16.939 768 HB3 ALA 94 3HB ALA 94 79.166 34.413 16.934 769 HA PRO 95 HA PRO 95 75.626 37.260 18.128 770 HB2 PRO 95 1HB PRO 95 77.363 39.301 17.696 771 HB3 PRO 95 2HB PRO 95 76.954 38.714 19.312 772 HG2 PRO 95 1HG PRO 95 79.351 38.104 17.627 773 HG3 PRO 95 2HG PRO 95 79.265 38.459 19.362 774 HD2 PRO 95 1HD PRO 95 79.496 35.939 18.400 775 HD3 PRO 95 2HD PRO 95 78.617 36.313 19.897 776 H VAL 96 H VAL 96 74.707 36.759 16.185 777 HA VAL 96 HA VAL 96 76.221 37.497 13.764 778 HB VAL 96 HB VAL 96 74.526 35.936 12.602 779 HG11 VAL 96 1HG1 VAL 96 76.808 35.015 14.325 780 HG12 VAL 96 2HG1 VAL 96 75.946 33.916 13.245 781 HG13 VAL 96 3HG1 VAL 96 76.790 35.319 12.588 782 HG21 VAL 96 3HG2 VAL 96 74.415 34.646 15.314 783 HG22 VAL 96 1HG2 VAL 96 73.161 35.749 14.747 784 HG23 VAL 96 2HG2 VAL 96 73.483 34.254 13.869 785 HA PRO 97 HA PRO 97 73.156 40.470 12.745 786 HB2 PRO 97 1HB PRO 97 73.077 40.272 10.039 787 HB3 PRO 97 2HB PRO 97 74.434 40.996 10.910 788 HG2 PRO 97 1HG PRO 97 74.168 38.240 9.771 789 HG3 PRO 97 2HG PRO 97 75.554 39.345 9.715 790 HD2 PRO 97 1HD PRO 97 75.401 37.287 11.469 791 HD3 PRO 97 2HD PRO 97 76.226 38.811 11.854 792 H GLN 98 H GLN 98 71.019 40.383 12.981 793 HA GLN 98 HA GLN 98 69.497 38.051 12.647 794 HB2 GLN 98 1HB GLN 98 68.739 40.946 12.978 795 HB3 GLN 98 2HB GLN 98 67.526 39.682 12.823 796 HG2 GLN 98 1HG GLN 98 68.230 38.636 14.828 797 HG3 GLN 98 2HG GLN 98 69.677 39.638 14.918 798 HE21 GLN 98 2HE2 GLN 98 69.146 40.362 16.978 799 HE22 GLN 98 1HE2 GLN 98 67.881 41.506 17.252 800 H GLU 99 H GLU 99 70.198 40.702 10.483 801 HA GLU 99 HA GLU 99 68.172 40.326 8.595 802 HB2 GLU 99 1HB GLU 99 69.805 41.383 6.988 803 HB3 GLU 99 2HB GLU 99 69.489 42.299 8.455 804 HG2 GLU 99 1HG GLU 99 71.781 40.451 8.553 805 HG3 GLU 99 2HG GLU 99 71.943 41.842 7.482 806 H LEU 100 H LEU 100 71.197 38.639 9.099 807 HA LEU 100 HA LEU 100 71.253 37.262 6.622 808 HB2 LEU 100 1HB LEU 100 72.646 37.068 9.221 809 HB3 LEU 100 2HB LEU 100 72.631 35.612 8.228 810 HG LEU 100 HG LEU 100 74.671 36.981 7.945 811 HD11 LEU 100 1HD1 LEU 100 74.229 37.264 5.333 812 HD12 LEU 100 2HD1 LEU 100 72.827 36.276 5.742 813 HD13 LEU 100 3HD1 LEU 100 74.452 35.691 6.097 814 HD21 LEU 100 3HD2 LEU 100 73.275 39.157 8.192 815 HD22 LEU 100 1HD2 LEU 100 73.033 38.989 6.453 816 HD23 LEU 100 2HD2 LEU 100 74.665 39.135 7.107 817 H LEU 101 H LEU 101 69.935 36.475 9.805 818 HA LEU 101 HA LEU 101 69.116 33.836 9.071 819 HB2 LEU 101 1HB LEU 101 68.215 35.581 11.358 820 HB3 LEU 101 2HB LEU 101 67.897 33.855 11.194 821 HG LEU 101 HG LEU 101 69.666 33.675 12.572 822 HD11 LEU 101 1HD1 LEU 101 71.667 33.182 11.444 823 HD12 LEU 101 2HD1 LEU 101 71.333 34.350 10.166 824 HD13 LEU 101 3HD1 LEU 101 70.385 32.867 10.274 825 HD21 LEU 101 3HD2 LEU 101 70.181 36.457 11.720 826 HD22 LEU 101 1HD2 LEU 101 71.571 35.541 12.303 827 HD23 LEU 101 2HD2 LEU 101 70.156 35.747 13.335 828 H ASP 102 H ASP 102 67.737 37.003 8.823 829 HA ASP 102 HA ASP 102 65.024 36.142 8.493 830 HB2 ASP 102 1HB ASP 102 65.557 38.402 9.292 831 HB3 ASP 102 2HB ASP 102 66.344 38.764 7.758 832 H ARG 103 H ARG 103 67.666 37.032 6.318 833 HA ARG 103 HA ARG 103 66.145 36.853 3.929 834 HB2 ARG 103 1HB ARG 103 68.359 36.793 2.802 835 HB3 ARG 103 2HB ARG 103 68.200 38.115 3.951 836 HG2 ARG 103 1HG ARG 103 69.461 36.805 5.605 837 HG3 ARG 103 2HG ARG 103 69.657 35.521 4.410 838 HD2 ARG 103 1HD ARG 103 71.640 36.682 4.194 839 HD3 ARG 103 2HD ARG 103 70.650 37.413 2.931 840 HE ARG 103 HE ARG 103 70.517 38.784 5.456 841 HH11 ARG 103 1HH1 ARG 103 72.242 38.468 2.448 842 HH12 ARG 103 2HH1 ARG 103 72.902 40.069 2.509 843 HH21 ARG 103 1HH2 ARG 103 71.380 40.893 5.547 844 HH22 ARG 103 2HH2 ARG 103 72.412 41.447 4.272 845 H VAL 104 H VAL 104 68.268 34.583 5.632 846 HA VAL 104 HA VAL 104 68.088 32.510 3.709 847 HB VAL 104 HB VAL 104 68.979 31.040 5.455 848 HG11 VAL 104 1HG1 VAL 104 70.607 32.305 4.289 849 HG12 VAL 104 2HG1 VAL 104 70.240 33.762 5.215 850 HG13 VAL 104 3HG1 VAL 104 71.037 32.396 5.997 851 HG21 VAL 104 3HG2 VAL 104 67.927 31.614 7.440 852 HG22 VAL 104 1HG2 VAL 104 69.555 32.251 7.673 853 HG23 VAL 104 2HG2 VAL 104 68.238 33.336 7.226 854 H LEU 105 H LEU 105 66.249 33.267 6.629 855 HA LEU 105 HA LEU 105 64.685 30.892 6.597 856 HB2 LEU 105 1HB LEU 105 64.460 33.540 7.973 857 HB3 LEU 105 2HB LEU 105 63.145 32.371 8.064 858 HG LEU 105 HG LEU 105 65.971 31.807 8.955 859 HD11 LEU 105 1HD1 LEU 105 64.025 31.960 11.065 860 HD12 LEU 105 2HD1 LEU 105 64.106 33.485 10.184 861 HD13 LEU 105 3HD1 LEU 105 65.566 32.800 10.896 862 HD21 LEU 105 3HD2 LEU 105 65.285 29.739 9.506 863 HD22 LEU 105 1HD2 LEU 105 64.030 30.035 8.303 864 HD23 LEU 105 2HD2 LEU 105 63.687 30.290 10.014 865 H ALA 106 H ALA 106 63.962 34.250 5.651 866 HA ALA 106 HA ALA 106 61.376 33.818 4.701 867 HB1 ALA 106 1HB ALA 106 62.171 36.046 5.066 868 HB2 ALA 106 2HB ALA 106 63.435 35.847 3.852 869 HB3 ALA 106 3HB ALA 106 61.741 35.886 3.363 870 H ALA 107 H ALA 107 64.472 33.718 2.958 871 HA ALA 107 HA ALA 107 63.398 33.160 0.417 872 HB1 ALA 107 1HB ALA 107 66.101 32.231 1.343 873 HB2 ALA 107 2HB ALA 107 65.598 32.718 -0.276 874 HB3 ALA 107 3HB ALA 107 65.755 33.926 0.999 875 H GLN 108 H GLN 108 64.461 31.051 3.048 876 HA GLN 108 HA GLN 108 64.350 28.603 1.729 877 HB2 GLN 108 1HB GLN 108 65.254 28.999 4.028 878 HB3 GLN 108 2HB GLN 108 63.599 29.106 4.612 879 HG2 GLN 108 1HG GLN 108 64.604 26.690 3.152 880 HG3 GLN 108 2HG GLN 108 64.819 26.888 4.890 881 HE21 GLN 108 2HE2 GLN 108 62.597 27.801 5.864 882 HE22 GLN 108 1HE2 GLN 108 61.238 26.804 5.486 883 H ALA 109 H ALA 109 61.797 30.228 3.608 884 HA ALA 109 HA ALA 109 59.811 28.281 3.043 885 HB1 ALA 109 1HB ALA 109 59.955 30.177 4.878 886 HB2 ALA 109 2HB ALA 109 59.027 31.075 3.677 887 HB3 ALA 109 3HB ALA 109 58.406 29.552 4.312 888 H TYR 110 H TYR 110 60.946 31.120 1.379 889 HA TYR 110 HA TYR 110 58.723 31.572 -0.288 890 HB2 TYR 110 1HB TYR 110 61.552 32.399 -0.218 891 HB3 TYR 110 2HB TYR 110 60.816 32.406 -1.817 892 HD1 TYR 110 HD1 TYR 110 59.305 33.219 1.491 893 HD2 TYR 110 HD2 TYR 110 60.501 34.655 -2.331 894 HE1 TYR 110 HE1 TYR 110 58.262 35.390 1.987 895 HE2 TYR 110 HE2 TYR 110 59.462 36.830 -1.846 896 HH TYR 110 HH TYR 110 58.864 38.156 0.260 897 H TRP 111 H TRP 111 61.613 29.567 -0.694 898 HA TRP 111 HA TRP 111 60.713 28.628 -3.286 899 HB2 TRP 111 1HB TRP 111 63.058 27.585 -1.699 900 HB3 TRP 111 2HB TRP 111 62.798 27.488 -3.439 901 HD1 TRP 111 HD1 TRP 111 65.109 29.096 -1.405 902 HE1 TRP 111 HE1 TRP 111 65.811 31.424 -2.250 903 HE3 TRP 111 HE3 TRP 111 61.247 29.986 -4.635 904 HZ2 TRP 111 HZ2 TRP 111 64.854 33.379 -4.048 905 HZ3 TRP 111 HZ3 TRP 111 61.215 32.109 -5.878 906 HH2 TRP 111 HH2 TRP 111 62.982 33.769 -5.589 907 H SER 112 H SER 112 59.938 27.906 -0.169 908 HA SER 112 HA SER 112 59.703 25.025 -0.554 909 HB2 SER 112 1HB SER 112 60.457 26.120 1.637 910 HB3 SER 112 2HB SER 112 58.770 26.583 1.855 911 HG SER 112 HG SER 112 59.967 24.154 2.185 912 H VAL 113 H VAL 113 58.167 26.440 -2.348 913 HA VAL 113 HA VAL 113 55.650 25.276 -2.068 914 HB VAL 113 HB VAL 113 55.080 26.793 -0.343 915 HG11 VAL 113 1HG1 VAL 113 55.364 29.204 -0.496 916 HG12 VAL 113 2HG1 VAL 113 56.914 28.385 -0.693 917 HG13 VAL 113 3HG1 VAL 113 56.073 29.034 -2.101 918 HG21 VAL 113 3HG2 VAL 113 53.940 28.139 -2.773 919 HG22 VAL 113 1HG2 VAL 113 53.475 26.502 -2.310 920 HG23 VAL 113 2HG2 VAL 113 53.174 27.848 -1.211 921 H ASP 114 H ASP 114 55.170 24.932 -4.125 922 HA ASP 114 HA ASP 114 55.020 25.169 -6.386 923 HB2 ASP 114 1HB ASP 114 53.359 26.873 -5.590 924 HB3 ASP 114 2HB ASP 114 54.616 28.097 -5.749 925 H SER 115 H SER 115 57.635 25.142 -5.449 926 HA SER 115 HA SER 115 59.312 27.201 -6.214 927 HB2 SER 115 1HB SER 115 61.047 25.397 -6.538 928 HB3 SER 115 2HB SER 115 60.203 25.338 -4.990 929 HG SER 115 HG SER 115 60.456 23.373 -6.619 930 H SER 116 H SER 116 60.714 27.409 -8.088 931 HA SER 116 HA SER 116 59.341 27.580 -10.489 932 HB2 SER 116 1HB SER 116 61.301 28.893 -10.258 933 HB3 SER 116 2HB SER 116 62.294 27.486 -9.879 934 HG SER 116 HG SER 116 61.954 28.569 -12.224 935 H GLY 117 H GLY 117 61.727 25.116 -9.511 936 HA2 GLY 117 1HA GLY 117 61.989 22.934 -10.177 937 HA3 GLY 117 2HA GLY 117 60.332 22.997 -10.759 938 H ARG 118 H ARG 118 60.505 22.037 -12.710 939 HA ARG 118 HA ARG 118 61.043 21.718 -14.897 940 HB2 ARG 118 1HB ARG 118 60.306 24.153 -14.903 941 HB3 ARG 118 2HB ARG 118 62.014 24.573 -14.888 942 HG2 ARG 118 1HG ARG 118 62.372 23.679 -17.019 943 HG3 ARG 118 2HG ARG 118 60.858 22.773 -16.986 944 HD2 ARG 118 1HD ARG 118 60.878 25.768 -16.851 945 HD3 ARG 118 2HD ARG 118 60.981 24.927 -18.397 946 HE ARG 118 HE ARG 118 58.825 23.829 -17.075 947 HH11 ARG 118 1HH1 ARG 118 59.772 26.978 -18.219 948 HH12 ARG 118 2HH1 ARG 118 58.147 27.510 -18.497 949 HH21 ARG 118 1HH2 ARG 118 56.680 24.518 -17.436 950 HH22 ARG 118 2HH2 ARG 118 56.389 26.110 -18.050 951 H ILE 119 H ILE 119 62.950 20.820 -13.134 952 HA ILE 119 HA ILE 119 65.451 21.387 -14.587 953 HB ILE 119 HB ILE 119 66.638 20.744 -12.450 954 HG12 ILE 119 1HG1 ILE 119 63.885 21.218 -11.286 955 HG13 ILE 119 2HG1 ILE 119 64.732 19.676 -11.329 956 HG21 ILE 119 1HG2 ILE 119 66.906 22.928 -12.049 957 HG22 ILE 119 2HG2 ILE 119 65.759 23.166 -13.366 958 HG23 ILE 119 3HG2 ILE 119 65.195 23.168 -11.695 959 HD11 ILE 119 3HD1 ILE 119 65.058 20.435 -9.165 960 HD12 ILE 119 1HD1 ILE 119 66.556 20.876 -9.985 961 HD13 ILE 119 2HD1 ILE 119 65.321 22.100 -9.683 962 H VAL 120 H VAL 120 63.469 19.003 -12.926 963 HA VAL 120 HA VAL 120 65.162 16.779 -13.265 964 HB VAL 120 HB VAL 120 63.095 15.414 -12.980 965 HG11 VAL 120 1HG1 VAL 120 63.031 15.779 -10.729 966 HG12 VAL 120 2HG1 VAL 120 64.477 16.708 -11.127 967 HG13 VAL 120 3HG1 VAL 120 62.933 17.530 -10.903 968 HG21 VAL 120 3HG2 VAL 120 61.132 16.283 -13.554 969 HG22 VAL 120 1HG2 VAL 120 61.261 17.391 -12.189 970 HG23 VAL 120 2HG2 VAL 120 61.859 17.874 -13.776 971 H THR 121 H THR 121 65.141 15.108 -14.791 972 HA THR 121 HA THR 121 63.612 15.525 -17.248 973 HB THR 121 HB THR 121 66.549 14.922 -17.457 974 HG1 THR 121 HG1 THR 121 65.380 17.516 -17.626 975 HG21 THR 121 3HG2 THR 121 64.332 15.278 -19.272 976 HG22 THR 121 1HG2 THR 121 65.962 14.692 -19.598 977 HG23 THR 121 2HG2 THR 121 65.626 16.423 -19.626 978 H LEU 122 H LEU 122 62.554 13.651 -16.156 979 HA LEU 122 HA LEU 122 62.097 11.429 -16.006 980 HB2 LEU 122 1HB LEU 122 63.841 11.638 -18.406 981 HB3 LEU 122 2HB LEU 122 63.464 10.032 -17.785 982 HG LEU 122 HG LEU 122 61.965 10.636 -19.598 983 HD11 LEU 122 1HD1 LEU 122 60.228 10.849 -17.194 984 HD12 LEU 122 2HD1 LEU 122 61.242 9.420 -17.380 985 HD13 LEU 122 3HD1 LEU 122 60.062 9.831 -18.624 986 HD21 LEU 122 3HD2 LEU 122 60.512 12.696 -18.113 987 HD22 LEU 122 1HD2 LEU 122 60.950 12.619 -19.820 988 HD23 LEU 122 2HD2 LEU 122 62.126 13.184 -18.634 Start of MODEL 11 1 H1 GLY 1 H GLY 1 75.046 -39.076 15.888 2 HA2 GLY 1 1HA GLY 1 75.438 -37.163 14.093 3 HA3 GLY 1 2HA GLY 1 74.386 -38.230 13.175 4 H SER 2 H SER 2 73.242 -35.995 13.297 5 HA SER 2 HA SER 2 71.860 -35.408 15.738 6 HB2 SER 2 1HB SER 2 71.892 -34.305 12.972 7 HB3 SER 2 2HB SER 2 70.467 -33.981 13.959 8 HG SER 2 HG SER 2 72.330 -32.454 14.073 9 HA PRO 3 HA PRO 3 68.261 -37.889 15.376 10 HB2 PRO 3 1HB PRO 3 66.299 -36.202 16.201 11 HB3 PRO 3 2HB PRO 3 67.496 -36.896 17.301 12 HG2 PRO 3 1HG PRO 3 67.434 -34.184 16.034 13 HG3 PRO 3 2HG PRO 3 67.841 -34.631 17.702 14 HD2 PRO 3 1HD PRO 3 69.728 -34.090 15.837 15 HD3 PRO 3 2HD PRO 3 69.985 -35.266 17.141 16 H PHE 4 H PHE 4 67.376 -38.520 13.518 17 HA PHE 4 HA PHE 4 66.830 -36.749 11.364 18 HB2 PHE 4 1HB PHE 4 66.058 -39.641 11.799 19 HB3 PHE 4 2HB PHE 4 65.826 -38.768 10.288 20 HD1 PHE 4 HD1 PHE 4 67.956 -37.688 9.263 21 HD2 PHE 4 HD2 PHE 4 68.008 -40.819 12.146 22 HE1 PHE 4 HE1 PHE 4 70.238 -38.289 8.565 23 HE2 PHE 4 HE2 PHE 4 70.289 -41.424 11.454 24 HZ PHE 4 HZ PHE 4 71.408 -40.158 9.661 25 H ALA 5 H ALA 5 65.146 -35.446 11.167 26 HA ALA 5 HA ALA 5 62.589 -36.249 12.397 27 HB1 ALA 5 1HB ALA 5 64.025 -34.122 13.187 28 HB2 ALA 5 2HB ALA 5 63.058 -33.377 11.914 29 HB3 ALA 5 3HB ALA 5 62.264 -34.189 13.262 30 H ASP 6 H ASP 6 60.660 -35.292 11.343 31 HA ASP 6 HA ASP 6 60.948 -35.470 8.443 32 HB2 ASP 6 1HB ASP 6 58.723 -35.867 10.378 33 HB3 ASP 6 2HB ASP 6 58.298 -35.318 8.759 34 HA PRO 7 HA PRO 7 60.284 -31.221 7.585 35 HB2 PRO 7 1HB PRO 7 58.643 -31.307 5.424 36 HB3 PRO 7 2HB PRO 7 60.351 -31.758 5.352 37 HG2 PRO 7 1HG PRO 7 57.935 -33.513 5.567 38 HG3 PRO 7 2HG PRO 7 59.380 -33.717 4.559 39 HD2 PRO 7 1HD PRO 7 59.024 -35.058 6.884 40 HD3 PRO 7 2HD PRO 7 60.627 -34.568 6.300 41 H ASN 8 H ASN 8 59.141 -29.946 8.898 42 HA ASN 8 HA ASN 8 56.440 -30.544 9.657 43 HB2 ASN 8 1HB ASN 8 56.605 -28.383 10.916 44 HB3 ASN 8 2HB ASN 8 57.881 -29.535 11.301 45 HD21 ASN 8 2HD2 ASN 8 57.102 -26.581 9.610 46 HD22 ASN 8 1HD2 ASN 8 58.724 -26.001 9.477 47 H SER 9 H SER 9 54.689 -28.914 9.493 48 HA SER 9 HA SER 9 54.772 -26.893 7.496 49 HB2 SER 9 1HB SER 9 54.737 -29.057 6.136 50 HB3 SER 9 2HB SER 9 53.098 -29.290 6.744 51 HG SER 9 HG SER 9 53.986 -26.984 5.348 52 H LEU 10 H LEU 10 53.579 -25.450 8.552 53 HA LEU 10 HA LEU 10 50.956 -26.304 9.585 54 HB2 LEU 10 1HB LEU 10 52.726 -25.755 11.321 55 HB3 LEU 10 2HB LEU 10 52.611 -24.087 10.763 56 HG LEU 10 HG LEU 10 50.124 -24.255 11.337 57 HD11 LEU 10 1HD1 LEU 10 49.389 -26.264 11.939 58 HD12 LEU 10 2HD1 LEU 10 50.284 -26.055 13.444 59 HD13 LEU 10 3HD1 LEU 10 51.030 -26.896 12.085 60 HD21 LEU 10 3HD2 LEU 10 51.568 -22.898 12.655 61 HD22 LEU 10 1HD2 LEU 10 52.280 -24.308 13.439 62 HD23 LEU 10 2HD2 LEU 10 50.604 -23.869 13.768 63 H ALA 11 H ALA 11 49.253 -24.793 9.435 64 HA ALA 11 HA ALA 11 49.509 -22.997 7.173 65 HB1 ALA 11 1HB ALA 11 47.386 -23.535 6.829 66 HB2 ALA 11 2HB ALA 11 47.430 -24.548 8.273 67 HB3 ALA 11 3HB ALA 11 46.930 -22.861 8.394 68 H LEU 12 H LEU 12 50.136 -20.966 7.442 69 HA LEU 12 HA LEU 12 49.335 -19.560 9.905 70 HB2 LEU 12 1HB LEU 12 51.854 -19.252 8.281 71 HB3 LEU 12 2HB LEU 12 51.385 -18.186 9.604 72 HG LEU 12 HG LEU 12 51.729 -21.130 10.056 73 HD11 LEU 12 1HD1 LEU 12 53.837 -20.783 9.247 74 HD12 LEU 12 2HD1 LEU 12 54.065 -20.276 10.920 75 HD13 LEU 12 3HD1 LEU 12 53.835 -19.068 9.656 76 HD21 LEU 12 3HD2 LEU 12 51.004 -20.434 12.051 77 HD22 LEU 12 1HD2 LEU 12 51.270 -18.736 11.655 78 HD23 LEU 12 2HD2 LEU 12 52.608 -19.723 12.244 79 H ALA 13 H ALA 13 48.101 -17.823 9.629 80 HA ALA 13 HA ALA 13 47.967 -16.621 6.941 81 HB1 ALA 13 1HB ALA 13 45.837 -17.390 7.192 82 HB2 ALA 13 2HB ALA 13 45.874 -17.252 8.951 83 HB3 ALA 13 3HB ALA 13 45.660 -15.810 7.957 84 H ASN 14 H ASN 14 49.581 -15.083 7.289 85 HA ASN 14 HA ASN 14 48.900 -12.996 9.255 86 HB2 ASN 14 1HB ASN 14 51.659 -13.755 8.269 87 HB3 ASN 14 2HB ASN 14 51.290 -12.490 9.437 88 HD21 ASN 14 2HD2 ASN 14 51.614 -13.045 11.454 89 HD22 ASN 14 1HD2 ASN 14 51.486 -14.638 12.111 90 H VAL 15 H VAL 15 49.488 -10.806 8.655 91 HA VAL 15 HA VAL 15 49.378 -10.409 5.737 92 HB VAL 15 HB VAL 15 48.475 -8.113 6.354 93 HG11 VAL 15 1HG1 VAL 15 46.226 -8.894 6.498 94 HG12 VAL 15 2HG1 VAL 15 47.126 -10.048 5.511 95 HG13 VAL 15 3HG1 VAL 15 46.743 -10.431 7.190 96 HG21 VAL 15 3HG2 VAL 15 47.833 -9.398 8.995 97 HG22 VAL 15 1HG2 VAL 15 49.239 -8.358 8.767 98 HG23 VAL 15 2HG2 VAL 15 47.616 -7.716 8.512 99 HA PRO 16 HA PRO 16 53.226 -8.295 5.765 100 HB2 PRO 16 1HB PRO 16 52.819 -6.433 3.832 101 HB3 PRO 16 2HB PRO 16 53.028 -8.152 3.480 102 HG2 PRO 16 1HG PRO 16 50.507 -6.550 3.668 103 HG3 PRO 16 2HG PRO 16 50.964 -7.781 2.476 104 HD2 PRO 16 1HD PRO 16 49.311 -8.309 4.555 105 HD3 PRO 16 2HD PRO 16 50.414 -9.524 3.880 106 H LEU 17 H LEU 17 53.019 -7.380 7.894 107 HA LEU 17 HA LEU 17 52.738 -4.476 7.813 108 HB2 LEU 17 1HB LEU 17 51.082 -6.344 9.418 109 HB3 LEU 17 2HB LEU 17 51.607 -4.849 10.188 110 HG LEU 17 HG LEU 17 50.592 -3.728 8.060 111 HD11 LEU 17 1HD1 LEU 17 49.562 -5.061 6.623 112 HD12 LEU 17 2HD1 LEU 17 48.454 -5.570 7.896 113 HD13 LEU 17 3HD1 LEU 17 49.948 -6.464 7.618 114 HD21 LEU 17 3HD2 LEU 17 48.442 -3.550 9.201 115 HD22 LEU 17 1HD2 LEU 17 49.780 -3.420 10.343 116 HD23 LEU 17 2HD2 LEU 17 48.864 -4.923 10.226 117 H SER 18 H SER 18 54.787 -3.953 8.290 118 HA SER 18 HA SER 18 55.917 -5.044 10.781 119 HB2 SER 18 1HB SER 18 57.883 -4.202 8.762 120 HB3 SER 18 2HB SER 18 57.865 -5.633 9.792 121 HG SER 18 HG SER 18 56.988 -5.310 7.213 122 H ARG 19 H ARG 19 54.485 -2.484 9.841 123 HA ARG 19 HA ARG 19 56.504 -0.461 10.364 124 HB2 ARG 19 1HB ARG 19 54.513 -0.320 8.684 125 HB3 ARG 19 2HB ARG 19 53.571 0.106 10.106 126 HG2 ARG 19 1HG ARG 19 56.098 1.575 9.505 127 HG3 ARG 19 2HG ARG 19 54.613 1.970 8.637 128 HD2 ARG 19 1HD ARG 19 54.897 1.925 11.639 129 HD3 ARG 19 2HD ARG 19 54.988 3.377 10.643 130 HE ARG 19 HE ARG 19 52.581 2.000 10.122 131 HH11 ARG 19 1HH1 ARG 19 54.131 3.943 12.559 132 HH12 ARG 19 2HH1 ARG 19 52.644 4.561 13.198 133 HH21 ARG 19 1HH2 ARG 19 50.616 2.806 10.954 134 HH22 ARG 19 2HH2 ARG 19 50.645 3.912 12.285 135 H SER 20 H SER 20 57.098 -0.330 12.444 136 HA SER 20 HA SER 20 55.005 -0.378 14.508 137 HB2 SER 20 1HB SER 20 56.624 -2.025 15.019 138 HB3 SER 20 2HB SER 20 57.963 -0.956 14.601 139 HG SER 20 HG SER 20 56.628 -1.230 16.960 140 H LYS 21 H LYS 21 58.067 1.295 13.772 141 HA LYS 21 HA LYS 21 56.864 3.833 14.499 142 HB2 LYS 21 1HB LYS 21 58.835 4.350 16.023 143 HB3 LYS 21 2HB LYS 21 57.619 3.251 16.661 144 HG2 LYS 21 1HG LYS 21 59.058 1.347 16.052 145 HG3 LYS 21 2HG LYS 21 60.289 2.484 15.499 146 HD2 LYS 21 1HD LYS 21 59.195 2.703 18.273 147 HD3 LYS 21 2HD LYS 21 60.423 1.490 17.906 148 HE2 LYS 21 1HE LYS 21 61.683 3.492 16.819 149 HE3 LYS 21 2HE LYS 21 60.614 4.475 17.818 150 HZ1 LYS 21 3HZ LYS 21 62.615 4.092 19.020 151 HZ2 LYS 21 1HZ LYS 21 62.545 2.423 18.748 152 HZ3 LYS 21 2HZ LYS 21 61.406 3.165 19.755 153 H ARG 22 H ARG 22 57.326 5.018 12.768 154 HA ARG 22 HA ARG 22 59.484 4.525 11.018 155 HB2 ARG 22 1HB ARG 22 58.769 6.437 9.818 156 HB3 ARG 22 2HB ARG 22 57.309 5.717 10.483 157 HG2 ARG 22 1HG ARG 22 56.869 7.840 11.072 158 HG3 ARG 22 2HG ARG 22 57.898 7.444 12.450 159 HD2 ARG 22 1HD ARG 22 59.796 8.214 10.761 160 HD3 ARG 22 2HD ARG 22 58.459 9.135 10.075 161 HE ARG 22 HE ARG 22 59.799 9.623 12.566 162 HH11 ARG 22 1HH1 ARG 22 56.838 10.046 10.785 163 HH12 ARG 22 2HH1 ARG 22 56.335 11.432 11.696 164 HH21 ARG 22 1HH2 ARG 22 59.149 11.447 13.772 165 HH22 ARG 22 2HH2 ARG 22 57.651 12.229 13.394 166 HA PRO 23 HA PRO 23 62.868 6.637 12.850 167 HB2 PRO 23 1HB PRO 23 64.174 7.541 10.648 168 HB3 PRO 23 2HB PRO 23 64.148 5.837 11.118 169 HG2 PRO 23 1HG PRO 23 62.497 7.261 9.067 170 HG3 PRO 23 2HG PRO 23 63.286 5.677 8.964 171 HD2 PRO 23 1HD PRO 23 60.642 5.957 9.477 172 HD3 PRO 23 2HD PRO 23 61.608 4.624 10.143 173 H ASP 24 H ASP 24 62.614 8.480 13.942 174 HA ASP 24 HA ASP 24 61.397 10.800 12.710 175 HB2 ASP 24 1HB ASP 24 60.863 10.118 15.045 176 HB3 ASP 24 2HB ASP 24 62.523 10.491 15.500 177 H PHE 25 H PHE 25 62.565 12.159 11.537 178 HA PHE 25 HA PHE 25 65.322 12.224 11.328 179 HB2 PHE 25 1HB PHE 25 65.073 14.236 10.077 180 HB3 PHE 25 2HB PHE 25 63.631 13.276 9.763 181 HD1 PHE 25 HD1 PHE 25 64.960 16.247 11.443 182 HD2 PHE 25 HD2 PHE 25 61.471 13.986 10.531 183 HE1 PHE 25 HE1 PHE 25 63.554 18.141 12.143 184 HE2 PHE 25 HE2 PHE 25 60.060 15.877 11.229 185 HZ PHE 25 HZ PHE 25 61.101 17.958 12.036 186 H GLY 26 H GLY 26 66.957 13.237 12.368 187 HA2 GLY 26 1HA GLY 26 66.852 15.521 13.923 188 HA3 GLY 26 2HA GLY 26 66.504 14.189 15.015 189 H GLN 27 H GLN 27 68.920 16.041 13.627 190 HA GLN 27 HA GLN 27 70.958 14.205 14.656 191 HB2 GLN 27 1HB GLN 27 70.950 13.819 12.266 192 HB3 GLN 27 2HB GLN 27 71.031 15.547 11.950 193 HG2 GLN 27 1HG GLN 27 73.193 14.611 11.592 194 HG3 GLN 27 2HG GLN 27 73.249 15.593 13.055 195 HE21 GLN 27 2HE2 GLN 27 74.549 14.696 14.474 196 HE22 GLN 27 1HE2 GLN 27 74.646 13.013 14.851 197 H ARG 28 H ARG 28 72.208 15.217 16.070 198 HA ARG 28 HA ARG 28 72.189 18.124 16.180 199 HB2 ARG 28 1HB ARG 28 71.960 16.447 18.178 200 HB3 ARG 28 2HB ARG 28 73.715 16.389 18.087 201 HG2 ARG 28 1HG ARG 28 73.963 18.563 18.772 202 HG3 ARG 28 2HG ARG 28 72.362 19.039 18.199 203 HD2 ARG 28 1HD ARG 28 72.809 17.171 20.518 204 HD3 ARG 28 2HD ARG 28 72.634 18.916 20.700 205 HE ARG 28 HE ARG 28 70.441 18.146 19.264 206 HH11 ARG 28 1HH1 ARG 28 71.827 17.256 22.331 207 HH12 ARG 28 2HH1 ARG 28 70.303 16.859 23.052 208 HH21 ARG 28 1HH2 ARG 28 68.428 17.626 20.202 209 HH22 ARG 28 2HH2 ARG 28 68.370 17.069 21.840 210 H ARG 29 H ARG 29 73.437 17.766 13.977 211 HA ARG 29 HA ARG 29 76.202 17.127 14.132 212 HB2 ARG 29 1HB ARG 29 74.852 17.033 12.041 213 HB3 ARG 29 2HB ARG 29 74.775 18.790 12.049 214 HG2 ARG 29 1HG ARG 29 76.898 19.024 11.321 215 HG3 ARG 29 2HG ARG 29 77.471 17.603 12.197 216 HD2 ARG 29 1HD ARG 29 75.679 17.377 9.798 217 HD3 ARG 29 2HD ARG 29 77.432 17.488 9.643 218 HE ARG 29 HE ARG 29 75.935 15.198 10.402 219 HH11 ARG 29 1HH1 ARG 29 78.934 16.865 10.991 220 HH12 ARG 29 2HH1 ARG 29 79.790 15.432 11.456 221 HH21 ARG 29 1HH2 ARG 29 77.051 13.304 11.013 222 HH22 ARG 29 2HH2 ARG 29 78.718 13.407 11.467 223 H ILE 30 H ILE 30 77.988 18.597 13.817 224 HA ILE 30 HA ILE 30 77.518 21.180 15.145 225 HB ILE 30 HB ILE 30 80.103 19.637 14.885 226 HG12 ILE 30 1HG1 ILE 30 78.550 18.494 16.371 227 HG13 ILE 30 2HG1 ILE 30 79.834 19.241 17.315 228 HG21 ILE 30 1HG2 ILE 30 80.754 21.307 16.737 229 HG22 ILE 30 2HG2 ILE 30 80.731 21.868 15.066 230 HG23 ILE 30 3HG2 ILE 30 79.393 22.260 16.145 231 HD11 ILE 30 3HD1 ILE 30 77.808 19.614 18.469 232 HD12 ILE 30 1HD1 ILE 30 78.266 21.152 17.737 233 HD13 ILE 30 2HD1 ILE 30 76.996 20.170 17.005 234 H ARG 31 H ARG 31 77.708 22.976 13.991 235 HA ARG 31 HA ARG 31 78.878 22.830 11.319 236 HB2 ARG 31 1HB ARG 31 76.739 23.836 11.298 237 HB3 ARG 31 2HB ARG 31 77.105 24.831 12.701 238 HG2 ARG 31 1HG ARG 31 77.069 26.175 10.692 239 HG3 ARG 31 2HG ARG 31 78.700 26.119 11.363 240 HD2 ARG 31 1HD ARG 31 78.597 23.958 9.626 241 HD3 ARG 31 2HD ARG 31 77.720 25.234 8.782 242 HE ARG 31 HE ARG 31 80.002 26.437 9.691 243 HH11 ARG 31 1HH1 ARG 31 79.277 23.682 7.690 244 HH12 ARG 31 2HH1 ARG 31 80.721 23.825 6.743 245 HH21 ARG 31 1HH2 ARG 31 81.906 26.636 8.451 246 HH22 ARG 31 2HH2 ARG 31 82.216 25.506 7.178 247 H ARG 32 H ARG 32 80.707 23.852 10.724 248 HA ARG 32 HA ARG 32 82.500 24.768 12.726 249 HB2 ARG 32 1HB ARG 32 82.552 24.421 9.788 250 HB3 ARG 32 2HB ARG 32 83.664 25.617 10.439 251 HG2 ARG 32 1HG ARG 32 84.398 23.780 12.061 252 HG3 ARG 32 2HG ARG 32 83.556 22.673 10.975 253 HD2 ARG 32 1HD ARG 32 85.400 24.593 9.701 254 HD3 ARG 32 2HD ARG 32 86.148 23.354 10.709 255 HE ARG 32 HE ARG 32 84.223 22.333 8.829 256 HH11 ARG 32 1HH1 ARG 32 87.550 23.218 9.343 257 HH12 ARG 32 2HH1 ARG 32 88.153 22.192 8.083 258 HH21 ARG 32 1HH2 ARG 32 85.004 20.979 7.168 259 HH22 ARG 32 2HH2 ARG 32 86.704 20.920 6.846 260 HA PRO 33 HA PRO 33 81.739 29.083 12.938 261 HB2 PRO 33 1HB PRO 33 84.247 30.114 13.072 262 HB3 PRO 33 2HB PRO 33 83.500 29.226 14.406 263 HG2 PRO 33 1HG PRO 33 85.458 28.269 12.354 264 HG3 PRO 33 2HG PRO 33 85.424 27.955 14.099 265 HD2 PRO 33 1HD PRO 33 84.534 26.159 12.278 266 HD3 PRO 33 2HD PRO 33 83.824 26.308 13.899 267 H PHE 34 H PHE 34 81.054 30.405 11.386 268 HA PHE 34 HA PHE 34 82.703 30.707 8.963 269 HB2 PHE 34 1HB PHE 34 80.365 31.431 7.987 270 HB3 PHE 34 2HB PHE 34 80.789 29.728 8.121 271 HD1 PHE 34 HD1 PHE 34 79.476 32.264 10.525 272 HD2 PHE 34 HD2 PHE 34 78.962 28.465 8.675 273 HE1 PHE 34 HE1 PHE 34 77.465 31.876 11.888 274 HE2 PHE 34 HE2 PHE 34 76.949 28.071 10.034 275 HZ PHE 34 HZ PHE 34 76.198 29.778 11.643 276 H THR 35 H THR 35 82.395 32.809 7.829 277 HA THR 35 HA THR 35 82.368 34.974 9.804 278 HB THR 35 HB THR 35 83.272 35.248 6.946 279 HG1 THR 35 HG1 THR 35 85.011 34.620 9.096 280 HG21 THR 35 3HG2 THR 35 83.552 37.354 7.640 281 HG22 THR 35 1HG2 THR 35 84.865 36.755 8.653 282 HG23 THR 35 2HG2 THR 35 83.240 36.914 9.320 283 H VAL 36 H VAL 36 81.258 36.940 9.394 284 HA VAL 36 HA VAL 36 78.634 36.729 8.582 285 HB VAL 36 HB VAL 36 79.331 38.597 9.922 286 HG11 VAL 36 1HG1 VAL 36 80.844 39.638 7.532 287 HG12 VAL 36 2HG1 VAL 36 80.766 40.354 9.143 288 HG13 VAL 36 3HG1 VAL 36 81.591 38.814 8.899 289 HG21 VAL 36 3HG2 VAL 36 78.621 40.196 7.588 290 HG22 VAL 36 1HG2 VAL 36 77.597 38.776 7.801 291 HG23 VAL 36 2HG2 VAL 36 77.752 39.955 9.103 292 H ALA 37 H ALA 37 81.440 37.752 6.687 293 HA ALA 37 HA ALA 37 79.971 38.439 4.353 294 HB1 ALA 37 1HB ALA 37 82.493 38.903 5.148 295 HB2 ALA 37 2HB ALA 37 82.771 37.562 4.035 296 HB3 ALA 37 3HB ALA 37 81.965 39.026 3.469 297 H GLU 38 H GLU 38 81.846 35.554 5.261 298 HA GLU 38 HA GLU 38 81.456 34.108 2.903 299 HB2 GLU 38 1HB GLU 38 81.764 33.032 5.712 300 HB3 GLU 38 2HB GLU 38 82.008 32.118 4.229 301 HG2 GLU 38 1HG GLU 38 83.907 33.450 3.644 302 HG3 GLU 38 2HG GLU 38 83.609 34.547 4.991 303 H VAL 39 H VAL 39 79.467 34.379 5.800 304 HA VAL 39 HA VAL 39 77.582 32.382 4.992 305 HB VAL 39 HB VAL 39 77.315 34.568 7.061 306 HG11 VAL 39 1HG1 VAL 39 75.501 32.422 6.147 307 HG12 VAL 39 2HG1 VAL 39 75.634 32.654 7.891 308 HG13 VAL 39 3HG1 VAL 39 75.135 33.994 6.857 309 HG21 VAL 39 3HG2 VAL 39 78.717 32.029 7.032 310 HG22 VAL 39 1HG2 VAL 39 78.785 33.344 8.206 311 HG23 VAL 39 2HG2 VAL 39 77.527 32.115 8.331 312 H GLU 40 H GLU 40 77.887 35.842 4.585 313 HA GLU 40 HA GLU 40 75.211 36.311 3.740 314 HB2 GLU 40 1HB GLU 40 75.980 38.371 4.167 315 HB3 GLU 40 2HB GLU 40 77.654 37.845 4.048 316 HG2 GLU 40 1HG GLU 40 77.700 38.207 1.712 317 HG3 GLU 40 2HG GLU 40 75.951 38.412 1.641 318 H LEU 41 H LEU 41 78.271 35.867 1.988 319 HA LEU 41 HA LEU 41 77.108 36.071 -0.595 320 HB2 LEU 41 1HB LEU 41 79.653 34.622 0.082 321 HB3 LEU 41 2HB LEU 41 79.216 35.397 -1.440 322 HG LEU 41 HG LEU 41 79.337 37.198 0.883 323 HD11 LEU 41 1HD1 LEU 41 81.455 36.911 1.512 324 HD12 LEU 41 2HD1 LEU 41 82.010 36.707 -0.149 325 HD13 LEU 41 3HD1 LEU 41 81.354 35.330 0.737 326 HD21 LEU 41 3HD2 LEU 41 78.973 37.872 -1.494 327 HD22 LEU 41 1HD2 LEU 41 80.621 37.347 -1.839 328 HD23 LEU 41 2HD2 LEU 41 80.336 38.673 -0.711 329 H LEU 42 H LEU 42 78.054 33.314 1.430 330 HA LEU 42 HA LEU 42 77.469 31.266 -0.364 331 HB2 LEU 42 1HB LEU 42 78.660 30.807 1.656 332 HB3 LEU 42 2HB LEU 42 77.307 31.358 2.641 333 HG LEU 42 HG LEU 42 76.887 29.029 0.834 334 HD11 LEU 42 1HD1 LEU 42 77.619 27.711 3.012 335 HD12 LEU 42 2HD1 LEU 42 78.701 29.093 3.179 336 HD13 LEU 42 3HD1 LEU 42 78.761 28.098 1.724 337 HD21 LEU 42 3HD2 LEU 42 74.941 29.233 1.915 338 HD22 LEU 42 1HD2 LEU 42 75.636 30.281 3.152 339 HD23 LEU 42 2HD2 LEU 42 75.784 28.529 3.296 340 H VAL 43 H VAL 43 75.375 32.694 2.140 341 HA VAL 43 HA VAL 43 73.091 31.177 1.602 342 HB VAL 43 HB VAL 43 73.416 33.938 2.761 343 HG11 VAL 43 1HG1 VAL 43 71.042 33.734 3.486 344 HG12 VAL 43 2HG1 VAL 43 71.243 33.931 1.744 345 HG13 VAL 43 3HG1 VAL 43 70.882 32.341 2.417 346 HG21 VAL 43 3HG2 VAL 43 73.503 32.930 4.773 347 HG22 VAL 43 1HG2 VAL 43 72.293 31.724 4.336 348 HG23 VAL 43 2HG2 VAL 43 73.970 31.512 3.835 349 H GLU 44 H GLU 44 73.987 34.409 0.401 350 HA GLU 44 HA GLU 44 71.737 34.800 -1.221 351 HB2 GLU 44 1HB GLU 44 73.176 36.651 -0.670 352 HB3 GLU 44 2HB GLU 44 74.547 35.881 -1.457 353 HG2 GLU 44 1HG GLU 44 73.351 36.064 -3.616 354 HG3 GLU 44 2HG GLU 44 72.072 36.953 -2.790 355 H ALA 45 H ALA 45 74.566 32.870 -1.673 356 HA ALA 45 HA ALA 45 74.382 32.655 -4.521 357 HB1 ALA 45 1HB ALA 45 76.191 31.826 -2.494 358 HB2 ALA 45 2HB ALA 45 75.740 30.411 -3.447 359 HB3 ALA 45 3HB ALA 45 76.421 31.830 -4.243 360 H VAL 46 H VAL 46 73.475 30.542 -1.808 361 HA VAL 46 HA VAL 46 72.313 28.550 -3.506 362 HB VAL 46 HB VAL 46 73.175 27.843 -1.381 363 HG11 VAL 46 1HG1 VAL 46 72.999 29.839 -0.086 364 HG12 VAL 46 2HG1 VAL 46 71.238 29.824 -0.197 365 HG13 VAL 46 3HG1 VAL 46 72.074 28.585 0.740 366 HG21 VAL 46 3HG2 VAL 46 71.220 26.639 -2.239 367 HG22 VAL 46 1HG2 VAL 46 71.258 26.641 -0.476 368 HG23 VAL 46 2HG2 VAL 46 70.160 27.721 -1.336 369 H GLU 47 H GLU 47 71.144 31.347 -1.752 370 HA GLU 47 HA GLU 47 68.373 30.727 -1.982 371 HB2 GLU 47 1HB GLU 47 67.998 32.690 -0.876 372 HB3 GLU 47 2HB GLU 47 69.689 32.460 -0.455 373 HG2 GLU 47 1HG GLU 47 70.328 33.941 -2.315 374 HG3 GLU 47 2HG GLU 47 68.620 34.215 -2.652 375 H HIS 48 H HIS 48 70.704 32.341 -4.015 376 HA HIS 48 HA HIS 48 68.829 33.594 -5.753 377 HB2 HIS 48 1HB HIS 48 71.188 34.325 -5.541 378 HB3 HIS 48 2HB HIS 48 71.703 32.822 -6.301 379 HD1 HIS 48 HD1 HIS 48 71.564 32.678 -8.830 380 HD2 HIS 48 HD2 HIS 48 69.889 36.157 -7.296 381 HE1 HIS 48 HE1 HIS 48 71.133 34.152 -10.822 382 H LEU 49 H LEU 49 70.489 30.488 -5.747 383 HA LEU 49 HA LEU 49 69.145 29.749 -8.245 384 HB2 LEU 49 1HB LEU 49 71.215 28.173 -6.732 385 HB3 LEU 49 2HB LEU 49 70.670 27.919 -8.389 386 HG LEU 49 HG LEU 49 71.920 30.534 -7.774 387 HD11 LEU 49 1HD1 LEU 49 74.155 29.261 -8.326 388 HD12 LEU 49 2HD1 LEU 49 73.319 27.920 -7.545 389 HD13 LEU 49 3HD1 LEU 49 73.582 29.426 -6.666 390 HD21 LEU 49 3HD2 LEU 49 72.311 28.613 -10.062 391 HD22 LEU 49 1HD2 LEU 49 72.745 30.321 -10.003 392 HD23 LEU 49 2HD2 LEU 49 71.047 29.843 -10.014 393 H GLY 50 H GLY 50 68.345 29.759 -5.137 394 HA2 GLY 50 1HA GLY 50 66.935 28.530 -3.801 395 HA3 GLY 50 2HA GLY 50 66.218 28.002 -5.316 396 H THR 51 H THR 51 65.794 25.927 -4.560 397 HA THR 51 HA THR 51 68.019 24.294 -3.634 398 HB THR 51 HB THR 51 66.283 22.513 -3.370 399 HG1 THR 51 HG1 THR 51 64.563 22.891 -4.568 400 HG21 THR 51 3HG2 THR 51 66.758 24.754 -1.805 401 HG22 THR 51 1HG2 THR 51 65.930 23.281 -1.299 402 HG23 THR 51 2HG2 THR 51 64.999 24.657 -1.892 403 H GLY 52 H GLY 52 69.057 24.578 -5.814 404 HA2 GLY 52 1HA GLY 52 68.083 22.462 -7.630 405 HA3 GLY 52 2HA GLY 52 68.696 23.991 -8.242 406 H ARG 53 H ARG 53 70.754 24.027 -8.845 407 HA ARG 53 HA ARG 53 72.436 21.742 -8.302 408 HB2 ARG 53 1HB ARG 53 72.603 24.145 -10.070 409 HB3 ARG 53 2HB ARG 53 74.083 23.279 -9.680 410 HG2 ARG 53 1HG ARG 53 71.644 21.969 -10.854 411 HG3 ARG 53 2HG ARG 53 72.987 22.593 -11.813 412 HD2 ARG 53 1HD ARG 53 74.516 21.096 -10.581 413 HD3 ARG 53 2HD ARG 53 73.133 20.439 -9.708 414 HE ARG 53 HE ARG 53 72.536 20.135 -12.374 415 HH11 ARG 53 1HH1 ARG 53 75.067 19.091 -10.224 416 HH12 ARG 53 2HH1 ARG 53 75.379 17.624 -11.092 417 HH21 ARG 53 1HH2 ARG 53 72.937 18.207 -13.526 418 HH22 ARG 53 2HH2 ARG 53 74.167 17.123 -12.970 419 H TRP 54 H TRP 54 73.918 21.597 -6.753 420 HA TRP 54 HA TRP 54 74.282 23.698 -4.865 421 HB2 TRP 54 1HB TRP 54 75.958 21.199 -5.140 422 HB3 TRP 54 2HB TRP 54 75.725 22.179 -3.695 423 HD1 TRP 54 HD1 TRP 54 72.750 22.358 -3.262 424 HE1 TRP 54 HE1 TRP 54 71.255 20.291 -2.920 425 HE3 TRP 54 HE3 TRP 54 75.754 18.820 -5.406 426 HZ2 TRP 54 HZ2 TRP 54 71.339 17.526 -3.484 427 HZ3 TRP 54 HZ3 TRP 54 74.973 16.487 -5.463 428 HH2 TRP 54 HH2 TRP 54 72.811 15.856 -4.521 429 H ARG 55 H ARG 55 76.365 22.254 -7.351 430 HA ARG 55 HA ARG 55 78.688 23.690 -6.855 431 HB2 ARG 55 1HB ARG 55 79.268 23.253 -9.211 432 HB3 ARG 55 2HB ARG 55 78.630 21.824 -8.410 433 HG2 ARG 55 1HG ARG 55 76.359 22.708 -9.441 434 HG3 ARG 55 2HG ARG 55 77.467 23.460 -10.591 435 HD2 ARG 55 1HD ARG 55 77.388 20.528 -9.887 436 HD3 ARG 55 2HD ARG 55 76.707 21.249 -11.344 437 HE ARG 55 HE ARG 55 79.330 22.015 -11.354 438 HH11 ARG 55 1HH1 ARG 55 77.645 18.971 -11.213 439 HH12 ARG 55 2HH1 ARG 55 78.896 18.092 -12.026 440 HH21 ARG 55 1HH2 ARG 55 80.984 20.868 -12.426 441 HH22 ARG 55 2HH2 ARG 55 80.796 19.171 -12.715 442 H ASP 56 H ASP 56 75.724 24.686 -8.373 443 HA ASP 56 HA ASP 56 76.703 26.981 -9.710 444 HB2 ASP 56 1HB ASP 56 73.941 26.309 -8.680 445 HB3 ASP 56 2HB ASP 56 74.304 27.707 -9.689 446 H VAL 57 H VAL 57 75.407 26.449 -6.468 447 HA VAL 57 HA VAL 57 75.433 29.207 -5.729 448 HB VAL 57 HB VAL 57 74.595 28.559 -3.712 449 HG11 VAL 57 1HG1 VAL 57 73.357 27.408 -5.613 450 HG12 VAL 57 2HG1 VAL 57 74.158 25.924 -5.090 451 HG13 VAL 57 3HG1 VAL 57 73.079 26.782 -3.988 452 HG21 VAL 57 3HG2 VAL 57 76.513 26.264 -3.890 453 HG22 VAL 57 1HG2 VAL 57 76.422 27.549 -2.686 454 HG23 VAL 57 2HG2 VAL 57 75.211 26.267 -2.700 455 H LYS 58 H LYS 58 77.761 26.630 -5.688 456 HA LYS 58 HA LYS 58 79.551 27.800 -3.805 457 HB2 LYS 58 1HB LYS 58 79.621 25.413 -4.266 458 HB3 LYS 58 2HB LYS 58 80.009 25.722 -5.953 459 HG2 LYS 58 1HG LYS 58 81.973 27.072 -4.520 460 HG3 LYS 58 2HG LYS 58 81.752 25.544 -3.663 461 HD2 LYS 58 1HD LYS 58 81.894 25.417 -6.619 462 HD3 LYS 58 2HD LYS 58 83.387 25.810 -5.763 463 HE2 LYS 58 1HE LYS 58 82.702 23.767 -4.272 464 HE3 LYS 58 2HE LYS 58 81.742 23.320 -5.682 465 HZ1 LYS 58 3HZ LYS 58 83.586 22.922 -6.927 466 HZ2 LYS 58 1HZ LYS 58 84.220 22.541 -5.406 467 HZ3 LYS 58 2HZ LYS 58 84.545 24.046 -6.104 468 H PHE 59 H PHE 59 79.371 27.774 -7.344 469 HA PHE 59 HA PHE 59 81.727 29.398 -7.635 470 HB2 PHE 59 1HB PHE 59 79.834 28.023 -9.415 471 HB3 PHE 59 2HB PHE 59 80.458 29.539 -10.056 472 HD1 PHE 59 HD2 PHE 59 81.758 26.527 -8.272 473 HD2 PHE 59 HD1 PHE 59 82.332 29.401 -11.359 474 HE1 PHE 59 HE2 PHE 59 83.829 25.383 -8.947 475 HE2 PHE 59 HE1 PHE 59 84.404 28.262 -12.039 476 HZ PHE 59 HZ PHE 59 85.155 26.251 -10.832 477 H ARG 60 H ARG 60 78.232 29.898 -7.977 478 HA ARG 60 HA ARG 60 78.214 32.516 -8.857 479 HB2 ARG 60 1HB ARG 60 76.191 31.152 -8.685 480 HB3 ARG 60 2HB ARG 60 76.298 31.192 -6.930 481 HG2 ARG 60 1HG ARG 60 74.665 32.772 -7.482 482 HG3 ARG 60 2HG ARG 60 76.113 33.717 -7.128 483 HD2 ARG 60 1HD ARG 60 75.566 32.867 -9.936 484 HD3 ARG 60 2HD ARG 60 74.671 34.225 -9.255 485 HE ARG 60 HE ARG 60 77.305 34.752 -8.705 486 HH11 ARG 60 1HH1 ARG 60 75.420 34.160 -11.571 487 HH12 ARG 60 2HH1 ARG 60 76.420 35.142 -12.590 488 HH21 ARG 60 1HH2 ARG 60 78.630 36.048 -10.036 489 HH22 ARG 60 2HH2 ARG 60 78.246 36.214 -11.716 490 H ALA 61 H ALA 61 78.961 31.260 -5.706 491 HA ALA 61 HA ALA 61 78.939 33.941 -4.530 492 HB1 ALA 61 1HB ALA 61 79.713 32.341 -2.500 493 HB2 ALA 61 2HB ALA 61 78.029 32.685 -2.896 494 HB3 ALA 61 3HB ALA 61 78.784 31.199 -3.471 495 H PHE 62 H PHE 62 81.142 31.207 -3.993 496 HA PHE 62 HA PHE 62 83.409 32.601 -5.062 497 HB2 PHE 62 1HB PHE 62 82.817 32.693 -2.167 498 HB3 PHE 62 2HB PHE 62 84.474 32.273 -2.592 499 HD1 PHE 62 HD2 PHE 62 85.490 33.845 -4.504 500 HD2 PHE 62 HD1 PHE 62 82.349 34.906 -1.835 501 HE1 PHE 62 HE2 PHE 62 86.004 36.225 -4.852 502 HE2 PHE 62 HE1 PHE 62 82.857 37.289 -2.179 503 HZ PHE 62 HZ PHE 62 84.687 37.951 -3.689 504 H GLU 63 H GLU 63 84.144 30.891 -6.173 505 HA GLU 63 HA GLU 63 84.106 28.228 -5.067 506 HB2 GLU 63 1HB GLU 63 85.169 27.586 -7.213 507 HB3 GLU 63 2HB GLU 63 83.677 28.491 -7.429 508 HG2 GLU 63 1HG GLU 63 84.729 30.293 -8.322 509 HG3 GLU 63 2HG GLU 63 86.210 30.024 -7.405 510 H ASN 64 H ASN 64 86.045 30.782 -4.507 511 HA ASN 64 HA ASN 64 88.468 29.132 -4.220 512 HB2 ASN 64 1HB ASN 64 88.422 31.333 -5.644 513 HB3 ASN 64 2HB ASN 64 88.515 32.126 -4.075 514 HD21 ASN 64 2HD2 ASN 64 90.529 32.874 -4.010 515 HD22 ASN 64 1HD2 ASN 64 91.954 31.919 -4.216 516 H VAL 65 H VAL 65 86.368 28.976 -2.342 517 HA VAL 65 HA VAL 65 87.308 30.524 -0.040 518 HB VAL 65 HB VAL 65 85.300 29.551 1.111 519 HG11 VAL 65 1HG1 VAL 65 85.504 31.703 -0.547 520 HG12 VAL 65 2HG1 VAL 65 84.122 30.849 -1.236 521 HG13 VAL 65 3HG1 VAL 65 84.105 31.334 0.461 522 HG21 VAL 65 3HG2 VAL 65 85.279 27.880 -1.161 523 HG22 VAL 65 1HG2 VAL 65 84.145 27.894 0.189 524 HG23 VAL 65 2HG2 VAL 65 83.825 28.874 -1.242 525 H HIS 66 H HIS 66 86.904 29.066 2.093 526 HA HIS 66 HA HIS 66 89.069 27.312 2.232 527 HB2 HIS 66 1HB HIS 66 86.684 27.759 4.011 528 HB3 HIS 66 2HB HIS 66 87.885 26.528 4.394 529 HD1 HIS 66 HD1 HIS 66 88.614 27.808 6.519 530 HD2 HIS 66 HD2 HIS 66 89.135 29.937 2.990 531 HE1 HIS 66 HE1 HIS 66 90.071 29.766 7.125 532 H HIS 67 H HIS 67 85.759 26.221 2.909 533 HA HIS 67 HA HIS 67 86.274 23.534 2.310 534 HB2 HIS 67 1HB HIS 67 83.639 25.020 2.311 535 HB3 HIS 67 2HB HIS 67 83.809 23.267 2.303 536 HD1 HIS 67 HD1 HIS 67 84.586 26.247 4.507 537 HD2 HIS 67 HD2 HIS 67 84.077 22.132 4.772 538 HE1 HIS 67 HE1 HIS 67 84.604 25.724 6.967 539 H ARG 68 H ARG 68 84.987 26.153 0.323 540 HA ARG 68 HA ARG 68 84.344 26.203 -1.885 541 HB2 ARG 68 1HB ARG 68 86.171 25.634 -3.392 542 HB3 ARG 68 2HB ARG 68 86.789 26.447 -1.961 543 HG2 ARG 68 1HG ARG 68 87.715 24.484 -1.100 544 HG3 ARG 68 2HG ARG 68 86.748 23.458 -2.161 545 HD2 ARG 68 1HD ARG 68 88.031 24.035 -4.054 546 HD3 ARG 68 2HD ARG 68 88.789 25.392 -3.221 547 HE ARG 68 HE ARG 68 89.373 22.922 -1.936 548 HH11 ARG 68 1HH1 ARG 68 90.217 24.904 -4.672 549 HH12 ARG 68 2HH1 ARG 68 91.823 24.268 -4.802 550 HH21 ARG 68 1HH2 ARG 68 91.486 22.078 -2.097 551 HH22 ARG 68 2HH2 ARG 68 92.544 22.660 -3.337 552 H THR 69 H THR 69 83.031 24.120 -0.596 553 HA THR 69 HA THR 69 82.993 22.040 -2.687 554 HB THR 69 HB THR 69 81.742 20.974 -0.411 555 HG1 THR 69 HG1 THR 69 83.747 21.158 0.992 556 HG21 THR 69 3HG2 THR 69 82.866 19.425 -1.654 557 HG22 THR 69 1HG2 THR 69 84.077 19.693 -0.401 558 HG23 THR 69 2HG2 THR 69 84.229 20.499 -1.962 559 H TYR 70 H TYR 70 81.176 21.940 -3.823 560 HA TYR 70 HA TYR 70 79.037 23.637 -3.607 561 HB2 TYR 70 1HB TYR 70 77.778 22.003 -4.994 562 HB3 TYR 70 2HB TYR 70 79.402 22.312 -5.600 563 HD1 TYR 70 HD2 TYR 70 81.179 20.602 -5.287 564 HD2 TYR 70 HD1 TYR 70 77.120 19.829 -4.274 565 HE1 TYR 70 HE2 TYR 70 81.650 18.188 -5.268 566 HE2 TYR 70 HE1 TYR 70 77.579 17.413 -4.251 567 HH TYR 70 HH TYR 70 79.772 15.944 -5.626 568 H VAL 71 H VAL 71 79.325 20.377 -2.236 569 HA VAL 71 HA VAL 71 76.738 20.311 -1.089 570 HB VAL 71 HB VAL 71 77.996 18.261 -1.463 571 HG11 VAL 71 1HG1 VAL 71 79.921 17.669 -0.098 572 HG12 VAL 71 2HG1 VAL 71 80.237 19.149 -1.006 573 HG13 VAL 71 3HG1 VAL 71 79.846 19.234 0.712 574 HG21 VAL 71 3HG2 VAL 71 76.768 17.367 0.157 575 HG22 VAL 71 1HG2 VAL 71 77.955 17.878 1.356 576 HG23 VAL 71 2HG2 VAL 71 76.626 18.951 0.919 577 H ASP 72 H ASP 72 79.851 21.464 0.050 578 HA ASP 72 HA ASP 72 79.241 21.735 2.774 579 HB2 ASP 72 1HB ASP 72 81.527 21.906 1.875 580 HB3 ASP 72 2HB ASP 72 81.101 23.423 1.087 581 H LEU 73 H LEU 73 78.778 23.945 0.052 582 HA LEU 73 HA LEU 73 77.842 26.127 1.601 583 HB2 LEU 73 1HB LEU 73 77.545 25.414 -1.305 584 HB3 LEU 73 2HB LEU 73 76.892 26.899 -0.616 585 HG LEU 73 HG LEU 73 79.526 26.971 0.172 586 HD11 LEU 73 1HD1 LEU 73 79.286 25.301 -2.216 587 HD12 LEU 73 2HD1 LEU 73 80.634 25.500 -1.097 588 HD13 LEU 73 3HD1 LEU 73 80.390 26.665 -2.398 589 HD21 LEU 73 3HD2 LEU 73 78.193 28.830 -0.684 590 HD22 LEU 73 1HD2 LEU 73 78.281 28.152 -2.309 591 HD23 LEU 73 2HD2 LEU 73 79.747 28.724 -1.513 592 H LYS 74 H LYS 74 76.106 23.752 -0.412 593 HA LYS 74 HA LYS 74 73.517 24.581 0.142 594 HB2 LYS 74 1HB LYS 74 73.971 22.959 -1.592 595 HB3 LYS 74 2HB LYS 74 74.574 21.804 -0.411 596 HG2 LYS 74 1HG LYS 74 71.967 22.490 0.396 597 HG3 LYS 74 2HG LYS 74 71.907 22.204 -1.345 598 HD2 LYS 74 1HD LYS 74 73.051 20.042 -0.994 599 HD3 LYS 74 2HD LYS 74 73.007 20.327 0.747 600 HE2 LYS 74 1HE LYS 74 70.475 20.444 -0.832 601 HE3 LYS 74 2HE LYS 74 71.161 18.877 -0.408 602 HZ1 LYS 74 3HZ LYS 74 71.257 20.244 1.927 603 HZ2 LYS 74 1HZ LYS 74 70.057 19.132 1.494 604 HZ3 LYS 74 2HZ LYS 74 69.804 20.787 1.252 605 H ASP 75 H ASP 75 75.475 22.154 1.851 606 HA ASP 75 HA ASP 75 73.524 21.547 3.805 607 HB2 ASP 75 1HB ASP 75 75.858 20.406 3.104 608 HB3 ASP 75 2HB ASP 75 76.389 21.288 4.533 609 H LYS 76 H LYS 76 76.138 23.905 3.670 610 HA LYS 76 HA LYS 76 76.101 24.739 6.340 611 HB2 LYS 76 1HB LYS 76 77.042 25.870 3.769 612 HB3 LYS 76 2HB LYS 76 76.785 27.021 5.073 613 HG2 LYS 76 1HG LYS 76 78.329 25.839 6.489 614 HG3 LYS 76 2HG LYS 76 78.509 24.562 5.284 615 HD2 LYS 76 1HD LYS 76 80.393 25.874 4.935 616 HD3 LYS 76 2HD LYS 76 79.267 26.473 3.715 617 HE2 LYS 76 1HE LYS 76 78.678 28.345 5.136 618 HE3 LYS 76 2HE LYS 76 79.706 27.721 6.426 619 HZ1 LYS 76 3HZ LYS 76 81.448 28.725 5.530 620 HZ2 LYS 76 1HZ LYS 76 80.430 29.444 4.386 621 HZ3 LYS 76 2HZ LYS 76 81.192 27.975 4.036 622 H TRP 77 H TRP 77 74.182 25.781 3.563 623 HA TRP 77 HA TRP 77 72.865 27.910 4.903 624 HB2 TRP 77 1HB TRP 77 72.869 27.996 2.536 625 HB3 TRP 77 2HB TRP 77 72.249 26.353 2.397 626 HD1 TRP 77 HD1 TRP 77 71.034 29.835 3.592 627 HE1 TRP 77 HE1 TRP 77 68.501 29.981 3.160 628 HE3 TRP 77 HE3 TRP 77 70.227 25.084 1.885 629 HZ2 TRP 77 HZ2 TRP 77 66.434 28.304 2.220 630 HZ3 TRP 77 HZ3 TRP 77 67.942 24.434 1.241 631 HH2 TRP 77 HH2 TRP 77 66.087 26.012 1.406 632 H LYS 78 H LYS 78 71.832 24.599 4.091 633 HA LYS 78 HA LYS 78 69.304 24.644 5.205 634 HB2 LYS 78 1HB LYS 78 70.016 22.761 3.897 635 HB3 LYS 78 2HB LYS 78 71.308 22.391 5.032 636 HG2 LYS 78 1HG LYS 78 69.476 20.832 5.287 637 HG3 LYS 78 2HG LYS 78 69.645 21.826 6.736 638 HD2 LYS 78 1HD LYS 78 67.680 22.936 6.370 639 HD3 LYS 78 2HD LYS 78 67.784 22.763 4.616 640 HE2 LYS 78 1HE LYS 78 66.987 20.564 4.672 641 HE3 LYS 78 2HE LYS 78 67.323 20.391 6.394 642 HZ1 LYS 78 3HZ LYS 78 65.559 22.480 6.226 643 HZ2 LYS 78 1HZ LYS 78 65.202 20.901 6.717 644 HZ3 LYS 78 2HZ LYS 78 64.974 21.356 5.105 645 H THR 79 H THR 79 72.380 23.829 6.786 646 HA THR 79 HA THR 79 71.318 23.239 9.318 647 HB THR 79 HB THR 79 74.040 24.464 8.919 648 HG1 THR 79 HG1 THR 79 73.393 21.716 8.547 649 HG21 THR 79 3HG2 THR 79 74.572 22.701 10.680 650 HG22 THR 79 1HG2 THR 79 72.828 22.514 10.864 651 HG23 THR 79 2HG2 THR 79 73.589 24.069 11.202 652 H LEU 80 H LEU 80 72.804 26.251 8.119 653 HA LEU 80 HA LEU 80 72.443 27.783 10.414 654 HB2 LEU 80 1HB LEU 80 73.296 29.445 9.189 655 HB3 LEU 80 2HB LEU 80 73.526 28.202 7.960 656 HG LEU 80 HG LEU 80 71.140 28.931 7.186 657 HD11 LEU 80 1HD1 LEU 80 70.240 30.598 8.340 658 HD12 LEU 80 2HD1 LEU 80 71.504 31.647 7.700 659 HD13 LEU 80 3HD1 LEU 80 71.727 30.846 9.255 660 HD21 LEU 80 3HD2 LEU 80 72.150 30.067 5.493 661 HD22 LEU 80 1HD2 LEU 80 73.578 29.318 6.208 662 HD23 LEU 80 2HD2 LEU 80 73.182 30.996 6.581 663 H VAL 81 H VAL 81 70.199 26.935 7.875 664 HA VAL 81 HA VAL 81 68.209 28.862 8.461 665 HB VAL 81 HB VAL 81 68.040 26.172 7.107 666 HG11 VAL 81 1HG1 VAL 81 65.903 28.246 7.543 667 HG12 VAL 81 2HG1 VAL 81 65.805 27.004 6.294 668 HG13 VAL 81 3HG1 VAL 81 65.871 26.542 7.995 669 HG21 VAL 81 3HG2 VAL 81 68.713 27.253 5.285 670 HG22 VAL 81 1HG2 VAL 81 67.417 28.435 5.469 671 HG23 VAL 81 2HG2 VAL 81 68.968 28.695 6.268 672 H HIS 82 H HIS 82 68.606 25.469 9.447 673 HA HIS 82 HA HIS 82 66.269 25.269 10.979 674 HB2 HIS 82 1HB HIS 82 67.615 23.324 10.286 675 HB3 HIS 82 2HB HIS 82 68.900 23.827 11.380 676 HD1 HIS 82 HD1 HIS 82 65.241 22.810 11.575 677 HD2 HIS 82 HD2 HIS 82 68.718 22.724 13.847 678 HE1 HIS 82 HE1 HIS 82 64.653 21.525 13.655 679 H THR 83 H THR 83 69.497 26.415 11.797 680 HA THR 83 HA THR 83 69.002 26.663 14.595 681 HB THR 83 HB THR 83 71.091 28.150 12.999 682 HG1 THR 83 HG1 THR 83 71.507 26.045 12.548 683 HG21 THR 83 3HG2 THR 83 70.623 27.586 15.888 684 HG22 THR 83 1HG2 THR 83 71.216 29.052 15.108 685 HG23 THR 83 2HG2 THR 83 72.285 27.662 15.302 686 H ALA 84 H ALA 84 68.534 28.725 11.819 687 HA ALA 84 HA ALA 84 68.049 31.092 13.411 688 HB1 ALA 84 1HB ALA 84 68.168 30.460 10.516 689 HB2 ALA 84 2HB ALA 84 67.207 31.854 11.011 690 HB3 ALA 84 3HB ALA 84 68.920 31.772 11.423 691 H SER 85 H SER 85 66.282 28.374 12.582 692 HA SER 85 HA SER 85 63.715 29.798 12.654 693 HB2 SER 85 1HB SER 85 62.757 28.025 11.522 694 HB3 SER 85 2HB SER 85 64.402 27.952 10.892 695 HG SER 85 HG SER 85 63.844 25.903 11.537 696 H ILE 86 H ILE 86 65.601 27.320 14.291 697 HA ILE 86 HA ILE 86 63.737 26.324 16.072 698 HB ILE 86 HB ILE 86 65.672 25.957 17.635 699 HG12 ILE 86 1HG1 ILE 86 67.286 27.191 15.395 700 HG13 ILE 86 2HG1 ILE 86 66.920 28.008 16.911 701 HG21 ILE 86 1HG2 ILE 86 65.906 24.068 16.495 702 HG22 ILE 86 2HG2 ILE 86 65.120 24.825 15.111 703 HG23 ILE 86 3HG2 ILE 86 66.874 24.896 15.275 704 HD11 ILE 86 3HD1 ILE 86 68.006 25.860 17.953 705 HD12 ILE 86 1HD1 ILE 86 68.770 25.750 16.367 706 HD13 ILE 86 2HD1 ILE 86 68.999 27.191 17.359 707 H ALA 87 H ALA 87 63.893 26.737 18.540 708 HA ALA 87 HA ALA 87 62.707 29.153 19.145 709 HB1 ALA 87 1HB ALA 87 64.248 28.096 21.378 710 HB2 ALA 87 2HB ALA 87 62.504 28.286 21.192 711 HB3 ALA 87 3HB ALA 87 63.310 26.861 20.537 712 HA PRO 88 HA PRO 88 65.822 32.224 19.481 713 HB2 PRO 88 1HB PRO 88 65.032 33.622 21.671 714 HB3 PRO 88 2HB PRO 88 64.174 33.690 20.126 715 HG2 PRO 88 1HG PRO 88 63.535 32.097 22.579 716 HG3 PRO 88 2HG PRO 88 62.443 33.009 21.522 717 HD2 PRO 88 1HD PRO 88 62.717 30.320 21.361 718 HD3 PRO 88 2HD PRO 88 62.364 31.331 19.945 719 H GLN 89 H GLN 89 65.196 30.255 22.312 720 HA GLN 89 HA GLN 89 67.552 31.079 23.726 721 HB2 GLN 89 1HB GLN 89 66.036 28.531 24.234 722 HB3 GLN 89 2HB GLN 89 66.937 29.517 25.379 723 HG2 GLN 89 1HG GLN 89 65.142 31.323 24.741 724 HG3 GLN 89 2HG GLN 89 64.204 29.903 24.279 725 HE21 GLN 89 2HE2 GLN 89 66.300 30.943 26.952 726 HE22 GLN 89 1HE2 GLN 89 65.266 30.367 28.211 727 H GLN 90 H GLN 90 66.763 28.644 21.381 728 HA GLN 90 HA GLN 90 69.217 27.162 21.840 729 HB2 GLN 90 1HB GLN 90 67.073 26.817 19.737 730 HB3 GLN 90 2HB GLN 90 68.424 25.723 20.000 731 HG2 GLN 90 1HG GLN 90 66.408 26.349 22.134 732 HG3 GLN 90 2HG GLN 90 66.200 25.036 20.976 733 HE21 GLN 90 2HE2 GLN 90 66.452 24.883 23.850 734 HE22 GLN 90 1HE2 GLN 90 67.836 23.902 24.173 735 H ARG 91 H ARG 91 68.598 30.012 20.449 736 HA ARG 91 HA ARG 91 70.049 29.700 17.977 737 HB2 ARG 91 1HB ARG 91 68.733 31.958 19.417 738 HB3 ARG 91 2HB ARG 91 69.952 32.339 18.208 739 HG2 ARG 91 1HG ARG 91 68.683 31.082 16.536 740 HG3 ARG 91 2HG ARG 91 67.455 30.719 17.751 741 HD2 ARG 91 1HD ARG 91 66.937 32.644 16.207 742 HD3 ARG 91 2HD ARG 91 66.831 32.995 17.932 743 HE ARG 91 HE ARG 91 69.384 33.616 16.748 744 HH11 ARG 91 1HH1 ARG 91 66.183 34.775 17.477 745 HH12 ARG 91 2HH1 ARG 91 66.639 36.447 17.441 746 HH21 ARG 91 1HH2 ARG 91 69.996 35.812 16.697 747 HH22 ARG 91 2HH2 ARG 91 68.808 37.035 16.995 748 H ARG 92 H ARG 92 71.866 28.687 19.338 749 HA ARG 92 HA ARG 92 73.704 30.805 20.243 750 HB2 ARG 92 1HB ARG 92 72.954 29.045 21.925 751 HB3 ARG 92 2HB ARG 92 73.884 27.888 20.982 752 HG2 ARG 92 1HG ARG 92 75.912 29.196 21.377 753 HG3 ARG 92 2HG ARG 92 74.976 30.349 22.329 754 HD2 ARG 92 1HD ARG 92 75.253 27.413 22.960 755 HD3 ARG 92 2HD ARG 92 76.202 28.696 23.710 756 HE ARG 92 HE ARG 92 73.413 29.183 23.971 757 HH11 ARG 92 1HH1 ARG 92 76.034 27.282 25.252 758 HH12 ARG 92 2HH1 ARG 92 75.306 27.093 26.813 759 HH21 ARG 92 1HH2 ARG 92 72.445 28.941 26.022 760 HH22 ARG 92 2HH2 ARG 92 73.265 28.037 27.250 761 H GLY 93 H GLY 93 75.093 31.278 18.664 762 HA2 GLY 93 1HA GLY 93 76.914 29.335 17.677 763 HA3 GLY 93 2HA GLY 93 75.715 29.721 16.452 764 H ALA 94 H ALA 94 77.640 31.561 18.827 765 HA ALA 94 HA ALA 94 78.961 33.402 18.607 766 HB1 ALA 94 1HB ALA 94 79.318 31.937 16.114 767 HB2 ALA 94 2HB ALA 94 79.621 33.668 15.954 768 HB3 ALA 94 3HB ALA 94 80.510 32.724 17.149 769 HA PRO 95 HA PRO 95 76.424 36.779 17.418 770 HB2 PRO 95 1HB PRO 95 78.248 38.701 16.827 771 HB3 PRO 95 2HB PRO 95 77.926 38.157 18.478 772 HG2 PRO 95 1HG PRO 95 80.146 37.380 16.627 773 HG3 PRO 95 2HG PRO 95 80.213 37.757 18.358 774 HD2 PRO 95 1HD PRO 95 80.213 35.217 17.419 775 HD3 PRO 95 2HD PRO 95 79.475 35.661 18.971 776 H VAL 96 H VAL 96 75.336 36.299 15.555 777 HA VAL 96 HA VAL 96 76.701 36.931 13.018 778 HB VAL 96 HB VAL 96 74.876 35.448 11.991 779 HG11 VAL 96 1HG1 VAL 96 76.250 33.350 12.998 780 HG12 VAL 96 2HG1 VAL 96 76.863 34.415 11.732 781 HG13 VAL 96 3HG1 VAL 96 77.336 34.676 13.411 782 HG21 VAL 96 3HG2 VAL 96 73.647 35.404 14.261 783 HG22 VAL 96 1HG2 VAL 96 73.731 33.918 13.316 784 HG23 VAL 96 2HG2 VAL 96 74.810 34.150 14.691 785 HA PRO 97 HA PRO 97 73.732 40.059 12.200 786 HB2 PRO 97 1HB PRO 97 73.461 39.859 9.506 787 HB3 PRO 97 2HB PRO 97 74.909 40.515 10.280 788 HG2 PRO 97 1HG PRO 97 74.428 37.774 9.177 789 HG3 PRO 97 2HG PRO 97 75.861 38.807 9.022 790 HD2 PRO 97 1HD PRO 97 75.723 36.764 10.793 791 HD3 PRO 97 2HD PRO 97 76.648 38.245 11.114 792 H GLN 98 H GLN 98 71.599 40.135 12.497 793 HA GLN 98 HA GLN 98 69.939 37.877 12.340 794 HB2 GLN 98 1HB GLN 98 69.158 40.797 12.419 795 HB3 GLN 98 2HB GLN 98 68.085 39.444 12.754 796 HG2 GLN 98 1HG GLN 98 70.385 40.461 14.375 797 HG3 GLN 98 2HG GLN 98 68.703 40.235 14.852 798 HE21 GLN 98 2HE2 GLN 98 71.350 39.218 15.884 799 HE22 GLN 98 1HE2 GLN 98 71.122 37.512 16.028 800 H GLU 99 H GLU 99 70.658 40.414 10.046 801 HA GLU 99 HA GLU 99 68.526 40.108 8.279 802 HB2 GLU 99 1HB GLU 99 69.851 41.239 6.668 803 HB3 GLU 99 2HB GLU 99 70.316 41.893 8.232 804 HG2 GLU 99 1HG GLU 99 72.136 39.954 8.034 805 HG3 GLU 99 2HG GLU 99 71.863 40.260 6.320 806 H LEU 100 H LEU 100 71.443 38.212 8.688 807 HA LEU 100 HA LEU 100 71.242 36.731 6.280 808 HB2 LEU 100 1HB LEU 100 72.841 36.664 8.724 809 HB3 LEU 100 2HB LEU 100 72.543 35.070 8.033 810 HG LEU 100 HG LEU 100 74.654 35.905 7.239 811 HD11 LEU 100 1HD1 LEU 100 72.480 35.193 5.554 812 HD12 LEU 100 2HD1 LEU 100 74.202 34.899 5.319 813 HD13 LEU 100 3HD1 LEU 100 73.471 36.384 4.712 814 HD21 LEU 100 3HD2 LEU 100 73.634 38.119 5.646 815 HD22 LEU 100 1HD2 LEU 100 75.062 38.026 6.678 816 HD23 LEU 100 2HD2 LEU 100 73.487 38.392 7.383 817 H LEU 101 H LEU 101 70.054 36.195 9.563 818 HA LEU 101 HA LEU 101 68.992 33.597 8.991 819 HB2 LEU 101 1HB LEU 101 68.401 35.486 11.265 820 HB3 LEU 101 2HB LEU 101 67.924 33.791 11.189 821 HG LEU 101 HG LEU 101 69.764 33.494 12.447 822 HD11 LEU 101 1HD1 LEU 101 71.637 32.804 11.206 823 HD12 LEU 101 2HD1 LEU 101 71.307 33.955 9.912 824 HD13 LEU 101 3HD1 LEU 101 70.254 32.559 10.140 825 HD21 LEU 101 3HD2 LEU 101 70.476 36.189 11.451 826 HD22 LEU 101 1HD2 LEU 101 71.797 35.168 12.021 827 HD23 LEU 101 2HD2 LEU 101 70.454 35.554 13.097 828 H ASP 102 H ASP 102 67.853 36.857 8.718 829 HA ASP 102 HA ASP 102 65.065 36.181 8.576 830 HB2 ASP 102 1HB ASP 102 66.134 38.447 9.238 831 HB3 ASP 102 2HB ASP 102 66.256 38.724 7.503 832 H ARG 103 H ARG 103 67.680 36.693 6.288 833 HA ARG 103 HA ARG 103 66.001 36.675 3.971 834 HB2 ARG 103 1HB ARG 103 68.106 36.525 2.713 835 HB3 ARG 103 2HB ARG 103 68.167 37.793 3.929 836 HG2 ARG 103 1HG ARG 103 69.482 36.383 5.387 837 HG3 ARG 103 2HG ARG 103 69.353 35.044 4.245 838 HD2 ARG 103 1HD ARG 103 71.480 36.008 3.888 839 HD3 ARG 103 2HD ARG 103 70.466 36.548 2.550 840 HE ARG 103 HE ARG 103 70.549 38.378 4.768 841 HH11 ARG 103 1HH1 ARG 103 72.076 37.390 1.799 842 HH12 ARG 103 2HH1 ARG 103 72.823 38.928 1.519 843 HH21 ARG 103 1HH2 ARG 103 71.528 40.408 4.410 844 HH22 ARG 103 2HH2 ARG 103 72.511 40.643 3.005 845 H VAL 104 H VAL 104 67.963 34.282 5.672 846 HA VAL 104 HA VAL 104 67.594 32.202 3.766 847 HB VAL 104 HB VAL 104 68.419 30.694 5.533 848 HG11 VAL 104 1HG1 VAL 104 70.614 31.917 5.929 849 HG12 VAL 104 2HG1 VAL 104 70.110 31.712 4.251 850 HG13 VAL 104 3HG1 VAL 104 69.895 33.268 5.054 851 HG21 VAL 104 3HG2 VAL 104 67.772 33.027 7.223 852 HG22 VAL 104 1HG2 VAL 104 67.725 31.304 7.597 853 HG23 VAL 104 2HG2 VAL 104 69.262 32.169 7.614 854 H LEU 105 H LEU 105 65.909 33.157 6.716 855 HA LEU 105 HA LEU 105 64.198 30.894 6.831 856 HB2 LEU 105 1HB LEU 105 64.371 33.531 8.156 857 HB3 LEU 105 2HB LEU 105 62.788 32.756 8.152 858 HG LEU 105 HG LEU 105 64.334 32.402 10.177 859 HD11 LEU 105 1HD1 LEU 105 63.613 29.971 10.302 860 HD12 LEU 105 2HD1 LEU 105 62.923 30.203 8.696 861 HD13 LEU 105 3HD1 LEU 105 62.340 31.166 10.053 862 HD21 LEU 105 3HD2 LEU 105 65.896 30.538 9.964 863 HD22 LEU 105 1HD2 LEU 105 66.357 31.876 8.912 864 HD23 LEU 105 2HD2 LEU 105 65.569 30.452 8.233 865 H ALA 106 H ALA 106 63.653 34.237 5.725 866 HA ALA 106 HA ALA 106 61.024 33.906 4.850 867 HB1 ALA 106 1HB ALA 106 61.825 36.109 5.057 868 HB2 ALA 106 2HB ALA 106 63.197 35.797 3.993 869 HB3 ALA 106 3HB ALA 106 61.564 35.867 3.329 870 H ALA 107 H ALA 107 64.076 33.535 3.071 871 HA ALA 107 HA ALA 107 62.912 32.922 0.576 872 HB1 ALA 107 1HB ALA 107 65.137 32.048 -0.019 873 HB2 ALA 107 2HB ALA 107 65.217 33.637 0.744 874 HB3 ALA 107 3HB ALA 107 65.625 32.193 1.670 875 H GLN 108 H GLN 108 63.841 30.930 3.327 876 HA GLN 108 HA GLN 108 63.628 28.413 2.123 877 HB2 GLN 108 1HB GLN 108 64.608 28.847 4.367 878 HB3 GLN 108 2HB GLN 108 62.988 29.128 4.989 879 HG2 GLN 108 1HG GLN 108 63.715 26.551 3.650 880 HG3 GLN 108 2HG GLN 108 64.053 26.832 5.357 881 HE21 GLN 108 2HE2 GLN 108 61.934 25.449 3.341 882 HE22 GLN 108 1HE2 GLN 108 60.492 25.543 4.288 883 H ALA 109 H ALA 109 61.196 30.253 3.962 884 HA ALA 109 HA ALA 109 59.106 28.385 3.563 885 HB1 ALA 109 1HB ALA 109 59.409 30.485 5.198 886 HB2 ALA 109 2HB ALA 109 58.388 31.222 3.962 887 HB3 ALA 109 3HB ALA 109 57.839 29.778 4.814 888 H TYR 110 H TYR 110 60.252 31.145 1.731 889 HA TYR 110 HA TYR 110 58.005 31.360 0.009 890 HB2 TYR 110 1HB TYR 110 60.758 32.464 0.092 891 HB3 TYR 110 2HB TYR 110 59.965 32.442 -1.479 892 HD1 TYR 110 HD1 TYR 110 58.493 33.023 1.893 893 HD2 TYR 110 HD2 TYR 110 59.446 34.673 -1.911 894 HE1 TYR 110 HE1 TYR 110 57.276 35.076 2.485 895 HE2 TYR 110 HE2 TYR 110 58.232 36.731 -1.329 896 HH TYR 110 HH TYR 110 57.019 37.301 1.893 897 H TRP 111 H TRP 111 61.120 29.697 -0.246 898 HA TRP 111 HA TRP 111 60.702 28.741 -2.888 899 HB2 TRP 111 1HB TRP 111 62.591 27.967 -0.675 900 HB3 TRP 111 2HB TRP 111 62.550 27.085 -2.199 901 HD1 TRP 111 HD1 TRP 111 64.607 29.531 -0.704 902 HE1 TRP 111 HE1 TRP 111 65.685 31.128 -2.411 903 HE3 TRP 111 HE3 TRP 111 61.586 28.588 -4.719 904 HZ2 TRP 111 HZ2 TRP 111 65.305 31.887 -5.103 905 HZ3 TRP 111 HZ3 TRP 111 62.010 29.792 -6.823 906 HH2 TRP 111 HH2 TRP 111 63.831 31.407 -7.009 907 H SER 112 H SER 112 59.516 27.772 0.166 908 HA SER 112 HA SER 112 59.181 25.021 -0.178 909 HB2 SER 112 1HB SER 112 57.896 25.095 1.723 910 HB3 SER 112 2HB SER 112 58.669 26.675 1.854 911 HG SER 112 HG SER 112 56.096 26.161 1.731 912 H VAL 113 H VAL 113 56.687 24.208 -0.113 913 HA VAL 113 HA VAL 113 54.813 25.405 -1.806 914 HB VAL 113 HB VAL 113 56.306 25.119 -3.643 915 HG11 VAL 113 1HG1 VAL 113 56.714 22.370 -3.927 916 HG12 VAL 113 2HG1 VAL 113 57.917 23.592 -3.507 917 HG13 VAL 113 3HG1 VAL 113 57.060 22.722 -2.234 918 HG21 VAL 113 3HG2 VAL 113 55.038 23.655 -5.104 919 HG22 VAL 113 1HG2 VAL 113 54.311 22.856 -3.710 920 HG23 VAL 113 2HG2 VAL 113 53.944 24.548 -4.048 921 H ASP 114 H ASP 114 53.065 24.578 -0.876 922 HA ASP 114 HA ASP 114 52.261 21.928 -1.144 923 HB2 ASP 114 1HB ASP 114 54.192 21.983 0.755 924 HB3 ASP 114 2HB ASP 114 52.767 22.268 1.751 925 H SER 115 H SER 115 50.156 21.580 -0.400 926 HA SER 115 HA SER 115 48.468 23.759 -0.280 927 HB2 SER 115 1HB SER 115 47.390 21.758 -0.777 928 HB3 SER 115 2HB SER 115 48.168 20.892 0.548 929 HG SER 115 HG SER 115 46.780 21.800 1.972 930 H SER 116 H SER 116 50.039 22.030 2.352 931 HA SER 116 HA SER 116 48.842 23.899 4.279 932 HB2 SER 116 1HB SER 116 48.625 21.400 4.652 933 HB3 SER 116 2HB SER 116 50.368 21.370 4.920 934 HG SER 116 HG SER 116 49.134 21.587 6.867 935 H GLY 117 H GLY 117 50.244 24.713 6.012 936 HA2 GLY 117 1HA GLY 117 53.091 24.839 5.305 937 HA3 GLY 117 2HA GLY 117 52.196 26.344 5.458 938 H ARG 118 H ARG 118 53.339 27.138 7.193 939 HA ARG 118 HA ARG 118 53.939 25.638 9.518 940 HB2 ARG 118 1HB ARG 118 53.663 28.639 9.359 941 HB3 ARG 118 2HB ARG 118 54.638 27.709 10.489 942 HG2 ARG 118 1HG ARG 118 55.101 27.907 7.520 943 HG3 ARG 118 2HG ARG 118 56.004 28.767 8.768 944 HD2 ARG 118 1HD ARG 118 56.479 26.422 9.726 945 HD3 ARG 118 2HD ARG 118 55.971 25.835 8.143 946 HE ARG 118 HE ARG 118 57.982 26.512 7.313 947 HH11 ARG 118 1HH1 ARG 118 57.373 28.228 10.280 948 HH12 ARG 118 2HH1 ARG 118 58.926 28.995 10.308 949 HH21 ARG 118 1HH2 ARG 118 60.030 27.516 7.338 950 HH22 ARG 118 2HH2 ARG 118 60.437 28.590 8.633 951 H ILE 119 H ILE 119 53.160 26.605 11.737 952 HA ILE 119 HA ILE 119 50.513 25.841 12.111 953 HB ILE 119 HB ILE 119 50.673 26.968 14.330 954 HG12 ILE 119 1HG1 ILE 119 53.461 27.712 13.423 955 HG13 ILE 119 2HG1 ILE 119 52.121 28.849 13.524 956 HG21 ILE 119 1HG2 ILE 119 52.153 25.399 15.230 957 HG22 ILE 119 2HG2 ILE 119 51.595 24.656 13.732 958 HG23 ILE 119 3HG2 ILE 119 53.184 25.416 13.800 959 HD11 ILE 119 3HD1 ILE 119 52.305 27.515 16.010 960 HD12 ILE 119 1HD1 ILE 119 53.924 28.042 15.553 961 HD13 ILE 119 2HD1 ILE 119 52.608 29.213 15.645 962 H VAL 120 H VAL 120 51.836 28.881 11.128 963 HA VAL 120 HA VAL 120 49.826 30.652 11.880 964 HB VAL 120 HB VAL 120 50.565 32.094 10.073 965 HG11 VAL 120 1HG1 VAL 120 52.958 30.645 11.194 966 HG12 VAL 120 2HG1 VAL 120 52.860 32.334 10.692 967 HG13 VAL 120 3HG1 VAL 120 51.975 31.783 12.115 968 HG21 VAL 120 3HG2 VAL 120 51.032 31.125 8.116 969 HG22 VAL 120 1HG2 VAL 120 52.621 30.767 8.794 970 HG23 VAL 120 2HG2 VAL 120 51.336 29.561 8.872 971 H THR 121 H THR 121 48.507 31.832 10.016 972 HA THR 121 HA THR 121 47.042 29.765 8.511 973 HB THR 121 HB THR 121 45.712 32.176 9.743 974 HG1 THR 121 HG1 THR 121 44.947 30.571 11.312 975 HG21 THR 121 3HG2 THR 121 43.853 31.437 8.750 976 HG22 THR 121 1HG2 THR 121 44.115 29.795 9.335 977 HG23 THR 121 2HG2 THR 121 44.874 30.329 7.835 978 H LEU 122 H LEU 122 48.684 30.618 6.889 979 HA LEU 122 HA LEU 122 47.556 32.968 5.516 980 HB2 LEU 122 1HB LEU 122 49.771 33.445 6.406 981 HB3 LEU 122 2HB LEU 122 50.421 32.033 5.577 982 HG LEU 122 HG LEU 122 49.773 33.162 3.410 983 HD11 LEU 122 1HD1 LEU 122 49.266 35.417 5.329 984 HD12 LEU 122 2HD1 LEU 122 48.199 34.776 4.081 985 HD13 LEU 122 3HD1 LEU 122 49.640 35.685 3.626 986 HD21 LEU 122 3HD2 LEU 122 51.684 35.045 4.488 987 HD22 LEU 122 1HD2 LEU 122 51.910 33.768 3.292 988 HD23 LEU 122 2HD2 LEU 122 52.031 33.396 5.012 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -1.049 32.956 2.541 2 HA2 GLY 1 1HA GLY 1 1.876 33.175 2.279 3 HA3 GLY 1 2HA GLY 1 1.028 31.956 3.218 4 H SER 2 H SER 2 2.325 32.801 0.158 5 HA SER 2 HA SER 2 1.684 30.115 -0.828 6 HB2 SER 2 1HB SER 2 0.127 31.910 -1.796 7 HB3 SER 2 2HB SER 2 1.546 32.514 -2.652 8 HG SER 2 HG SER 2 0.220 30.951 -3.819 9 HA PRO 3 HA PRO 3 6.180 31.258 -1.250 10 HB2 PRO 3 1HB PRO 3 7.117 28.984 -0.100 11 HB3 PRO 3 2HB PRO 3 6.687 30.425 0.831 12 HG2 PRO 3 1HG PRO 3 5.101 27.930 0.362 13 HG3 PRO 3 2HG PRO 3 5.317 28.854 1.860 14 HD2 PRO 3 1HD PRO 3 3.096 29.065 0.325 15 HD3 PRO 3 2HD PRO 3 3.740 30.426 1.266 16 H PHE 4 H PHE 4 7.054 30.846 -3.171 17 HA PHE 4 HA PHE 4 6.097 28.965 -4.987 18 HB2 PHE 4 1HB PHE 4 8.063 29.489 -6.336 19 HB3 PHE 4 2HB PHE 4 7.400 30.959 -5.630 20 HD1 PHE 4 HD1 PHE 4 8.599 32.167 -3.914 21 HD2 PHE 4 HD2 PHE 4 10.200 28.615 -5.628 22 HE1 PHE 4 HE1 PHE 4 10.803 32.705 -2.962 23 HE2 PHE 4 HE2 PHE 4 12.406 29.147 -4.678 24 HZ PHE 4 HZ PHE 4 12.710 31.194 -3.342 25 H ALA 5 H ALA 5 6.900 26.991 -5.741 26 HA ALA 5 HA ALA 5 8.703 25.600 -3.867 27 HB1 ALA 5 1HB ALA 5 7.507 23.525 -4.455 28 HB2 ALA 5 2HB ALA 5 6.460 24.722 -3.693 29 HB3 ALA 5 3HB ALA 5 6.389 24.473 -5.437 30 H ASP 6 H ASP 6 10.422 26.449 -5.289 31 HA ASP 6 HA ASP 6 10.622 25.069 -7.869 32 HB2 ASP 6 1HB ASP 6 11.827 27.540 -6.722 33 HB3 ASP 6 2HB ASP 6 12.775 26.642 -7.904 34 HA PRO 7 HA PRO 7 13.695 22.231 -6.552 35 HB2 PRO 7 1HB PRO 7 15.399 22.187 -8.665 36 HB3 PRO 7 2HB PRO 7 13.785 21.468 -8.718 37 HG2 PRO 7 1HG PRO 7 14.713 24.120 -9.752 38 HG3 PRO 7 2HG PRO 7 13.634 22.937 -10.514 39 HD2 PRO 7 1HD PRO 7 12.712 25.150 -9.256 40 HD3 PRO 7 2HD PRO 7 11.808 23.623 -9.286 41 H ASN 8 H ASN 8 16.251 21.963 -6.631 42 HA ASN 8 HA ASN 8 18.199 22.629 -5.657 43 HB2 ASN 8 1HB ASN 8 17.719 25.313 -6.944 44 HB3 ASN 8 2HB ASN 8 19.258 24.524 -6.615 45 HD21 ASN 8 2HD2 ASN 8 19.658 22.488 -7.793 46 HD22 ASN 8 1HD2 ASN 8 19.092 22.370 -9.421 47 H SER 9 H SER 9 16.172 22.741 -3.882 48 HA SER 9 HA SER 9 15.920 25.301 -2.631 49 HB2 SER 9 1HB SER 9 14.608 24.193 -0.980 50 HB3 SER 9 2HB SER 9 14.235 23.399 -2.509 51 HG SER 9 HG SER 9 15.162 22.302 -0.284 52 H LEU 10 H LEU 10 18.047 22.559 -2.292 53 HA LEU 10 HA LEU 10 19.102 23.214 0.256 54 HB2 LEU 10 1HB LEU 10 19.328 20.990 -0.659 55 HB3 LEU 10 2HB LEU 10 20.261 21.612 -2.018 56 HG LEU 10 HG LEU 10 22.028 22.295 -0.369 57 HD11 LEU 10 1HD1 LEU 10 20.169 21.964 1.527 58 HD12 LEU 10 2HD1 LEU 10 21.900 21.838 1.840 59 HD13 LEU 10 3HD1 LEU 10 20.940 20.379 1.598 60 HD21 LEU 10 3HD2 LEU 10 22.911 20.436 -1.210 61 HD22 LEU 10 1HD2 LEU 10 21.330 19.663 -1.326 62 HD23 LEU 10 2HD2 LEU 10 22.247 19.573 0.178 63 H ALA 11 H ALA 11 20.315 24.896 0.780 64 HA ALA 11 HA ALA 11 22.172 25.983 -1.232 65 HB1 ALA 11 1HB ALA 11 20.211 27.435 0.495 66 HB2 ALA 11 2HB ALA 11 21.701 28.229 -0.016 67 HB3 ALA 11 3HB ALA 11 20.558 27.638 -1.222 68 H LEU 12 H LEU 12 21.388 26.175 2.247 69 HA LEU 12 HA LEU 12 24.100 26.739 2.968 70 HB2 LEU 12 1HB LEU 12 21.887 27.347 4.186 71 HB3 LEU 12 2HB LEU 12 22.040 25.740 4.892 72 HG LEU 12 HG LEU 12 24.331 27.645 5.088 73 HD11 LEU 12 1HD1 LEU 12 23.459 28.808 6.892 74 HD12 LEU 12 2HD1 LEU 12 22.165 27.639 7.152 75 HD13 LEU 12 3HD1 LEU 12 22.096 28.739 5.776 76 HD21 LEU 12 3HD2 LEU 12 24.618 26.442 7.239 77 HD22 LEU 12 1HD2 LEU 12 24.695 25.387 5.828 78 HD23 LEU 12 2HD2 LEU 12 23.235 25.431 6.817 79 H ALA 13 H ALA 13 25.573 25.190 2.605 80 HA ALA 13 HA ALA 13 25.174 22.610 3.935 81 HB1 ALA 13 1HB ALA 13 26.084 21.400 2.003 82 HB2 ALA 13 2HB ALA 13 24.569 22.217 1.617 83 HB3 ALA 13 3HB ALA 13 26.102 22.904 1.081 84 H ASN 14 H ASN 14 26.979 21.787 4.879 85 HA ASN 14 HA ASN 14 29.199 23.516 5.270 86 HB2 ASN 14 1HB ASN 14 30.084 21.788 6.694 87 HB3 ASN 14 2HB ASN 14 28.346 21.877 6.961 88 HD21 ASN 14 2HD2 ASN 14 30.832 19.812 6.609 89 HD22 ASN 14 1HD2 ASN 14 29.993 18.423 6.019 90 H VAL 15 H VAL 15 31.141 23.592 4.302 91 HA VAL 15 HA VAL 15 31.710 21.574 2.229 92 HB VAL 15 HB VAL 15 33.101 23.413 1.158 93 HG11 VAL 15 1HG1 VAL 15 30.201 23.060 1.179 94 HG12 VAL 15 2HG1 VAL 15 30.723 24.633 0.573 95 HG13 VAL 15 3HG1 VAL 15 31.323 23.154 -0.178 96 HG21 VAL 15 3HG2 VAL 15 33.139 25.501 1.971 97 HG22 VAL 15 1HG2 VAL 15 31.414 25.487 2.339 98 HG23 VAL 15 2HG2 VAL 15 32.564 24.774 3.471 99 HA PRO 16 HA PRO 16 35.508 20.615 4.212 100 HB2 PRO 16 1HB PRO 16 37.090 20.052 2.079 101 HB3 PRO 16 2HB PRO 16 35.790 18.983 2.620 102 HG2 PRO 16 1HG PRO 16 35.797 20.979 0.388 103 HG3 PRO 16 2HG PRO 16 35.137 19.333 0.415 104 HD2 PRO 16 1HD PRO 16 33.583 21.531 0.711 105 HD3 PRO 16 2HD PRO 16 33.215 19.987 1.507 106 H LEU 17 H LEU 17 36.075 22.623 5.121 107 HA LEU 17 HA LEU 17 38.240 23.989 3.700 108 HB2 LEU 17 1HB LEU 17 36.063 25.230 3.426 109 HB3 LEU 17 2HB LEU 17 36.084 25.492 5.169 110 HG LEU 17 HG LEU 17 38.438 26.545 4.662 111 HD11 LEU 17 1HD1 LEU 17 38.978 26.741 2.523 112 HD12 LEU 17 2HD1 LEU 17 37.547 27.738 2.264 113 HD13 LEU 17 3HD1 LEU 17 37.455 25.991 2.045 114 HD21 LEU 17 3HD2 LEU 17 37.435 28.508 5.095 115 HD22 LEU 17 1HD2 LEU 17 35.979 27.526 5.259 116 HD23 LEU 17 2HD2 LEU 17 36.318 28.354 3.738 117 H SER 18 H SER 18 39.926 23.574 4.975 118 HA SER 18 HA SER 18 40.059 24.655 7.604 119 HB2 SER 18 1HB SER 18 40.702 22.241 8.522 120 HB3 SER 18 2HB SER 18 39.039 22.826 8.556 121 HG SER 18 HG SER 18 40.169 21.231 6.497 122 H ARG 19 H ARG 19 42.196 24.143 8.649 123 HA ARG 19 HA ARG 19 44.266 23.170 6.866 124 HB2 ARG 19 1HB ARG 19 44.214 26.033 7.837 125 HB3 ARG 19 2HB ARG 19 45.608 25.257 7.097 126 HG2 ARG 19 1HG ARG 19 44.247 24.877 5.057 127 HG3 ARG 19 2HG ARG 19 42.945 25.804 5.807 128 HD2 ARG 19 1HD ARG 19 44.578 27.700 6.047 129 HD3 ARG 19 2HD ARG 19 45.696 26.768 5.052 130 HE ARG 19 HE ARG 19 43.408 28.237 4.160 131 HH11 ARG 19 1HH1 ARG 19 45.463 25.511 3.478 132 HH12 ARG 19 2HH1 ARG 19 45.125 25.515 1.779 133 HH21 ARG 19 1HH2 ARG 19 42.954 28.252 1.924 134 HH22 ARG 19 2HH2 ARG 19 43.698 27.075 0.896 135 H SER 20 H SER 20 45.948 22.302 7.954 136 HA SER 20 HA SER 20 46.584 23.071 10.655 137 HB2 SER 20 1HB SER 20 44.612 21.486 10.868 138 HB3 SER 20 2HB SER 20 45.661 20.227 10.218 139 HG SER 20 HG SER 20 46.215 21.769 12.536 140 H LYS 21 H LYS 21 48.616 22.407 11.287 141 HA LYS 21 HA LYS 21 50.093 20.354 10.017 142 HB2 LYS 21 1HB LYS 21 51.695 21.662 8.762 143 HB3 LYS 21 2HB LYS 21 50.076 22.000 8.164 144 HG2 LYS 21 1HG LYS 21 50.748 24.134 8.302 145 HG3 LYS 21 2HG LYS 21 50.328 23.953 10.007 146 HD2 LYS 21 1HD LYS 21 52.948 22.963 9.715 147 HD3 LYS 21 2HD LYS 21 52.882 24.480 8.815 148 HE2 LYS 21 1HE LYS 21 51.699 24.355 11.550 149 HE3 LYS 21 2HE LYS 21 53.450 24.456 11.378 150 HZ1 LYS 21 3HZ LYS 21 53.288 26.511 10.297 151 HZ2 LYS 21 1HZ LYS 21 52.198 26.624 11.586 152 HZ3 LYS 21 2HZ LYS 21 51.627 26.349 10.018 153 H ARG 22 H ARG 22 52.511 20.572 10.593 154 HA ARG 22 HA ARG 22 53.061 22.199 12.923 155 HB2 ARG 22 1HB ARG 22 53.804 20.069 14.184 156 HB3 ARG 22 2HB ARG 22 52.093 20.474 14.158 157 HG2 ARG 22 1HG ARG 22 53.101 18.685 12.024 158 HG3 ARG 22 2HG ARG 22 52.986 18.030 13.659 159 HD2 ARG 22 1HD ARG 22 50.599 19.113 13.586 160 HD3 ARG 22 2HD ARG 22 50.831 19.005 11.842 161 HE ARG 22 HE ARG 22 50.303 16.849 13.645 162 HH11 ARG 22 1HH1 ARG 22 51.834 17.709 10.639 163 HH12 ARG 22 2HH1 ARG 22 51.717 16.114 9.973 164 HH21 ARG 22 1HH2 ARG 22 50.143 14.745 12.779 165 HH22 ARG 22 2HH2 ARG 22 50.754 14.429 11.190 166 HA PRO 23 HA PRO 23 57.180 22.013 11.423 167 HB2 PRO 23 1HB PRO 23 58.619 22.181 13.719 168 HB3 PRO 23 2HB PRO 23 57.726 23.548 13.043 169 HG2 PRO 23 1HG PRO 23 56.951 21.685 15.255 170 HG3 PRO 23 2HG PRO 23 56.772 23.447 15.162 171 HD2 PRO 23 1HD PRO 23 54.718 21.748 14.689 172 HD3 PRO 23 2HD PRO 23 54.872 23.312 13.864 173 H ASP 24 H ASP 24 58.728 20.545 10.905 174 HA ASP 24 HA ASP 24 59.588 18.429 12.555 175 HB2 ASP 24 1HB ASP 24 58.607 16.566 11.094 176 HB3 ASP 24 2HB ASP 24 57.521 17.337 12.247 177 H PHE 25 H PHE 25 60.632 16.624 11.011 178 HA PHE 25 HA PHE 25 62.343 16.184 9.578 179 HB2 PHE 25 1HB PHE 25 60.653 18.083 7.981 180 HB3 PHE 25 2HB PHE 25 62.183 17.500 7.333 181 HD1 PHE 25 HD2 PHE 25 62.462 14.833 7.641 182 HD2 PHE 25 HD1 PHE 25 58.779 16.946 7.341 183 HE1 PHE 25 HE2 PHE 25 61.351 12.779 6.866 184 HE2 PHE 25 HE1 PHE 25 57.661 14.895 6.567 185 HZ PHE 25 HZ PHE 25 58.948 12.808 6.327 186 H GLY 26 H GLY 26 63.191 17.714 11.571 187 HA2 GLY 26 1HA GLY 26 65.187 19.405 10.268 188 HA3 GLY 26 2HA GLY 26 64.167 20.167 11.479 189 H GLN 27 H GLN 27 67.116 19.531 11.331 190 HA GLN 27 HA GLN 27 67.312 18.496 14.049 191 HB2 GLN 27 1HB GLN 27 68.748 17.301 11.679 192 HB3 GLN 27 2HB GLN 27 69.252 17.036 13.343 193 HG2 GLN 27 1HG GLN 27 66.551 16.319 12.227 194 HG3 GLN 27 2HG GLN 27 67.895 15.197 12.435 195 HE21 GLN 27 2HE2 GLN 27 65.702 14.452 13.633 196 HE22 GLN 27 1HE2 GLN 27 65.753 14.726 15.338 197 H ARG 28 H ARG 28 68.907 19.429 15.226 198 HA ARG 28 HA ARG 28 70.398 21.575 13.926 199 HB2 ARG 28 1HB ARG 28 70.837 22.392 16.177 200 HB3 ARG 28 2HB ARG 28 69.117 22.092 15.963 201 HG2 ARG 28 1HG ARG 28 69.548 19.830 17.056 202 HG3 ARG 28 2HG ARG 28 71.111 20.496 17.532 203 HD2 ARG 28 1HD ARG 28 69.803 20.981 19.372 204 HD3 ARG 28 2HD ARG 28 69.696 22.475 18.441 205 HE ARG 28 HE ARG 28 67.564 21.030 17.584 206 HH11 ARG 28 1HH1 ARG 28 68.720 22.011 20.718 207 HH12 ARG 28 2HH1 ARG 28 67.139 22.085 21.423 208 HH21 ARG 28 1HH2 ARG 28 65.478 21.123 18.500 209 HH22 ARG 28 2HH2 ARG 28 65.295 21.578 20.161 210 H ARG 29 H ARG 29 72.602 21.706 13.859 211 HA ARG 29 HA ARG 29 74.375 20.087 15.332 212 HB2 ARG 29 1HB ARG 29 75.206 18.735 13.328 213 HB3 ARG 29 2HB ARG 29 73.711 18.205 14.086 214 HG2 ARG 29 1HG ARG 29 72.400 18.973 12.321 215 HG3 ARG 29 2HG ARG 29 73.679 20.023 11.708 216 HD2 ARG 29 1HD ARG 29 74.986 17.826 11.342 217 HD3 ARG 29 2HD ARG 29 73.413 17.046 11.498 218 HE ARG 29 HE ARG 29 73.253 19.149 9.629 219 HH11 ARG 29 1HH1 ARG 29 74.578 15.952 10.009 220 HH12 ARG 29 2HH1 ARG 29 74.522 15.586 8.316 221 HH21 ARG 29 1HH2 ARG 29 73.174 18.679 7.398 222 HH22 ARG 29 2HH2 ARG 29 73.724 17.138 6.832 223 H ILE 30 H ILE 30 76.089 21.359 15.478 224 HA ILE 30 HA ILE 30 77.026 22.758 13.067 225 HB ILE 30 HB ILE 30 77.039 23.988 15.822 226 HG12 ILE 30 1HG1 ILE 30 74.733 23.738 14.972 227 HG13 ILE 30 2HG1 ILE 30 75.224 25.426 15.053 228 HG21 ILE 30 1HG2 ILE 30 77.314 26.041 14.131 229 HG22 ILE 30 2HG2 ILE 30 78.684 25.137 14.774 230 HG23 ILE 30 3HG2 ILE 30 78.065 24.772 13.163 231 HD11 ILE 30 3HD1 ILE 30 75.834 24.328 12.472 232 HD12 ILE 30 1HD1 ILE 30 74.136 24.076 12.875 233 HD13 ILE 30 2HD1 ILE 30 74.816 25.703 12.899 234 H ARG 31 H ARG 31 78.918 21.844 12.601 235 HA ARG 31 HA ARG 31 80.647 20.853 14.717 236 HB2 ARG 31 1HB ARG 31 80.466 19.386 12.862 237 HB3 ARG 31 2HB ARG 31 80.737 20.688 11.711 238 HG2 ARG 31 1HG ARG 31 82.690 19.272 11.866 239 HG3 ARG 31 2HG ARG 31 83.051 20.885 12.486 240 HD2 ARG 31 1HD ARG 31 83.110 20.161 14.692 241 HD3 ARG 31 2HD ARG 31 82.171 18.710 14.343 242 HE ARG 31 HE ARG 31 84.123 17.625 13.884 243 HH11 ARG 31 1HH1 ARG 31 84.676 21.055 13.653 244 HH12 ARG 31 2HH1 ARG 31 86.384 20.895 13.410 245 HH21 ARG 31 1HH2 ARG 31 86.370 17.402 13.565 246 HH22 ARG 31 2HH2 ARG 31 87.346 18.817 13.359 247 H ARG 32 H ARG 32 81.437 22.664 11.756 248 HA ARG 32 HA ARG 32 83.444 24.153 13.284 249 HB2 ARG 32 1HB ARG 32 84.226 23.016 11.264 250 HB3 ARG 32 2HB ARG 32 83.040 23.885 10.300 251 HG2 ARG 32 1HG ARG 32 84.820 25.206 9.883 252 HG3 ARG 32 2HG ARG 32 84.297 25.971 11.385 253 HD2 ARG 32 1HD ARG 32 86.552 25.665 11.767 254 HD3 ARG 32 2HD ARG 32 85.858 24.224 12.509 255 HE ARG 32 HE ARG 32 86.526 23.730 9.802 256 HH11 ARG 32 1HH1 ARG 32 87.948 24.140 12.953 257 HH12 ARG 32 2HH1 ARG 32 89.335 23.165 12.598 258 HH21 ARG 32 1HH2 ARG 32 88.348 22.444 9.322 259 HH22 ARG 32 2HH2 ARG 32 89.562 22.201 10.532 260 HA PRO 33 HA PRO 33 80.910 27.769 13.311 261 HB2 PRO 33 1HB PRO 33 82.846 29.576 13.909 262 HB3 PRO 33 2HB PRO 33 82.182 28.450 15.099 263 HG2 PRO 33 1HG PRO 33 84.724 28.265 13.528 264 HG3 PRO 33 2HG PRO 33 84.439 27.906 15.242 265 HD2 PRO 33 1HD PRO 33 84.592 25.971 13.354 266 HD3 PRO 33 2HD PRO 33 83.557 25.825 14.789 267 H PHE 34 H PHE 34 80.495 29.636 12.087 268 HA PHE 34 HA PHE 34 82.107 29.880 9.633 269 HB2 PHE 34 1HB PHE 34 79.845 30.876 8.745 270 HB3 PHE 34 2HB PHE 34 80.076 29.132 8.819 271 HD1 PHE 34 HD1 PHE 34 79.109 31.725 11.324 272 HD2 PHE 34 HD2 PHE 34 78.131 28.066 9.384 273 HE1 PHE 34 HE1 PHE 34 77.096 31.524 12.725 274 HE2 PHE 34 HE2 PHE 34 76.116 27.859 10.781 275 HZ PHE 34 HZ PHE 34 75.596 29.590 12.454 276 H THR 35 H THR 35 81.972 32.056 8.596 277 HA THR 35 HA THR 35 82.284 34.109 10.657 278 HB THR 35 HB THR 35 82.925 34.667 7.800 279 HG1 THR 35 HG1 THR 35 84.956 33.592 8.096 280 HG21 THR 35 3HG2 THR 35 83.585 36.478 8.990 281 HG22 THR 35 1HG2 THR 35 85.027 35.503 9.267 282 HG23 THR 35 2HG2 THR 35 83.757 35.565 10.489 283 H VAL 36 H VAL 36 81.583 36.355 10.051 284 HA VAL 36 HA VAL 36 78.810 36.435 9.644 285 HB VAL 36 HB VAL 36 80.689 38.760 9.236 286 HG11 VAL 36 1HG1 VAL 36 78.625 39.566 8.660 287 HG12 VAL 36 2HG1 VAL 36 77.769 38.447 9.723 288 HG13 VAL 36 3HG1 VAL 36 78.594 39.852 10.400 289 HG21 VAL 36 3HG2 VAL 36 79.934 37.289 11.689 290 HG22 VAL 36 1HG2 VAL 36 81.396 38.202 11.317 291 HG23 VAL 36 2HG2 VAL 36 79.922 39.050 11.783 292 H ALA 37 H ALA 37 81.464 37.394 7.471 293 HA ALA 37 HA ALA 37 79.707 37.959 5.284 294 HB1 ALA 37 1HB ALA 37 82.236 38.695 5.862 295 HB2 ALA 37 2HB ALA 37 82.538 37.412 4.689 296 HB3 ALA 37 3HB ALA 37 81.528 38.789 4.249 297 H GLU 38 H GLU 38 81.602 35.194 6.326 298 HA GLU 38 HA GLU 38 81.552 33.681 3.982 299 HB2 GLU 38 1HB GLU 38 81.696 32.960 6.892 300 HB3 GLU 38 2HB GLU 38 81.603 31.703 5.667 301 HG2 GLU 38 1HG GLU 38 83.610 32.789 4.585 302 HG3 GLU 38 2HG GLU 38 83.758 33.755 6.052 303 H VAL 39 H VAL 39 79.195 33.906 6.613 304 HA VAL 39 HA VAL 39 77.431 31.952 5.475 305 HB VAL 39 HB VAL 39 76.966 33.989 7.657 306 HG11 VAL 39 1HG1 VAL 39 75.242 31.734 6.652 307 HG12 VAL 39 2HG1 VAL 39 75.022 32.496 8.229 308 HG13 VAL 39 3HG1 VAL 39 74.837 33.447 6.755 309 HG21 VAL 39 3HG2 VAL 39 78.180 32.600 8.902 310 HG22 VAL 39 1HG2 VAL 39 76.919 31.387 8.676 311 HG23 VAL 39 2HG2 VAL 39 78.301 31.437 7.581 312 H GLU 40 H GLU 40 77.511 35.492 5.629 313 HA GLU 40 HA GLU 40 75.040 36.014 4.447 314 HB2 GLU 40 1HB GLU 40 75.677 38.173 4.553 315 HB3 GLU 40 2HB GLU 40 77.071 37.547 5.422 316 HG2 GLU 40 1HG GLU 40 78.316 37.447 3.300 317 HG3 GLU 40 2HG GLU 40 76.927 38.157 2.479 318 H LEU 41 H LEU 41 78.170 35.305 2.995 319 HA LEU 41 HA LEU 41 77.286 35.806 0.312 320 HB2 LEU 41 1HB LEU 41 79.710 34.319 1.313 321 HB3 LEU 41 2HB LEU 41 79.435 34.844 -0.347 322 HG LEU 41 HG LEU 41 79.455 36.905 1.802 323 HD11 LEU 41 1HD1 LEU 41 81.586 35.089 1.483 324 HD12 LEU 41 2HD1 LEU 41 81.557 36.582 2.420 325 HD13 LEU 41 3HD1 LEU 41 82.085 36.607 0.738 326 HD21 LEU 41 3HD2 LEU 41 80.236 38.312 0.067 327 HD22 LEU 41 1HD2 LEU 41 78.943 37.337 -0.631 328 HD23 LEU 41 2HD2 LEU 41 80.628 36.939 -0.969 329 H LEU 42 H LEU 42 77.994 32.883 2.211 330 HA LEU 42 HA LEU 42 77.372 31.009 0.230 331 HB2 LEU 42 1HB LEU 42 78.445 30.046 1.997 332 HB3 LEU 42 2HB LEU 42 77.552 30.985 3.192 333 HG LEU 42 HG LEU 42 75.590 29.530 2.818 334 HD11 LEU 42 1HD1 LEU 42 77.349 27.629 1.331 335 HD12 LEU 42 2HD1 LEU 42 76.485 28.897 0.461 336 HD13 LEU 42 3HD1 LEU 42 75.588 27.708 1.406 337 HD21 LEU 42 3HD2 LEU 42 77.493 29.114 4.514 338 HD22 LEU 42 1HD2 LEU 42 77.933 27.777 3.451 339 HD23 LEU 42 2HD2 LEU 42 76.336 27.820 4.199 340 H VAL 43 H VAL 43 75.333 32.790 2.452 341 HA VAL 43 HA VAL 43 72.972 31.248 1.973 342 HB VAL 43 HB VAL 43 73.408 33.965 3.203 343 HG11 VAL 43 1HG1 VAL 43 71.240 34.042 2.170 344 HG12 VAL 43 2HG1 VAL 43 70.822 32.459 2.830 345 HG13 VAL 43 3HG1 VAL 43 71.029 33.840 3.909 346 HG21 VAL 43 3HG2 VAL 43 72.213 31.733 4.713 347 HG22 VAL 43 1HG2 VAL 43 73.900 31.525 4.240 348 HG23 VAL 43 2HG2 VAL 43 73.420 32.921 5.205 349 H GLU 44 H GLU 44 74.141 34.405 0.828 350 HA GLU 44 HA GLU 44 71.914 34.933 -0.837 351 HB2 GLU 44 1HB GLU 44 73.360 36.733 -0.111 352 HB3 GLU 44 2HB GLU 44 74.741 35.998 -0.913 353 HG2 GLU 44 1HG GLU 44 73.603 36.325 -3.082 354 HG3 GLU 44 2HG GLU 44 72.304 37.164 -2.237 355 H ALA 45 H ALA 45 74.732 32.981 -1.221 356 HA ALA 45 HA ALA 45 74.699 32.901 -4.085 357 HB1 ALA 45 1HB ALA 45 76.636 32.374 -2.409 358 HB2 ALA 45 2HB ALA 45 75.953 30.747 -2.445 359 HB3 ALA 45 3HB ALA 45 76.516 31.501 -3.937 360 H VAL 46 H VAL 46 73.720 30.615 -1.533 361 HA VAL 46 HA VAL 46 72.584 28.758 -3.393 362 HB VAL 46 HB VAL 46 73.412 27.899 -1.308 363 HG11 VAL 46 1HG1 VAL 46 71.414 28.894 0.512 364 HG12 VAL 46 2HG1 VAL 46 73.173 28.937 0.644 365 HG13 VAL 46 3HG1 VAL 46 72.320 30.223 -0.211 366 HG21 VAL 46 3HG2 VAL 46 70.401 27.754 -1.243 367 HG22 VAL 46 1HG2 VAL 46 71.425 26.816 -2.330 368 HG23 VAL 46 2HG2 VAL 46 71.537 26.575 -0.587 369 H GLU 47 H GLU 47 71.402 31.455 -1.514 370 HA GLU 47 HA GLU 47 68.632 30.856 -1.776 371 HB2 GLU 47 1HB GLU 47 69.366 32.319 -0.006 372 HB3 GLU 47 2HB GLU 47 70.080 33.434 -1.162 373 HG2 GLU 47 1HG GLU 47 67.990 34.183 -1.903 374 HG3 GLU 47 2HG GLU 47 67.147 32.822 -1.165 375 H HIS 48 H HIS 48 70.878 32.922 -3.572 376 HA HIS 48 HA HIS 48 69.060 34.129 -5.302 377 HB2 HIS 48 1HB HIS 48 71.476 34.737 -5.051 378 HB3 HIS 48 2HB HIS 48 71.887 33.306 -5.990 379 HD1 HIS 48 HD1 HIS 48 72.995 35.196 -7.590 380 HD2 HIS 48 HD2 HIS 48 68.845 35.050 -7.465 381 HE1 HIS 48 HE1 HIS 48 72.217 36.453 -9.624 382 H LEU 49 H LEU 49 70.450 30.928 -5.341 383 HA LEU 49 HA LEU 49 69.130 30.374 -7.909 384 HB2 LEU 49 1HB LEU 49 71.113 28.605 -6.507 385 HB3 LEU 49 2HB LEU 49 70.596 28.539 -8.190 386 HG LEU 49 HG LEU 49 72.004 30.985 -7.243 387 HD11 LEU 49 1HD1 LEU 49 74.091 29.542 -8.123 388 HD12 LEU 49 2HD1 LEU 49 73.163 28.275 -7.320 389 HD13 LEU 49 3HD1 LEU 49 73.667 29.705 -6.419 390 HD21 LEU 49 3HD2 LEU 49 73.018 30.545 -9.603 391 HD22 LEU 49 1HD2 LEU 49 71.378 31.178 -9.453 392 HD23 LEU 49 2HD2 LEU 49 71.635 29.466 -9.789 393 H GLY 50 H GLY 50 68.473 30.200 -4.727 394 HA2 GLY 50 1HA GLY 50 67.045 28.954 -3.429 395 HA3 GLY 50 2HA GLY 50 66.213 28.620 -4.940 396 H THR 51 H THR 51 65.971 26.543 -5.374 397 HA THR 51 HA THR 51 67.961 24.648 -4.307 398 HB THR 51 HB THR 51 65.741 24.368 -3.286 399 HG1 THR 51 HG1 THR 51 65.528 22.104 -3.880 400 HG21 THR 51 3HG2 THR 51 63.791 24.025 -4.457 401 HG22 THR 51 1HG2 THR 51 64.626 23.403 -5.880 402 HG23 THR 51 2HG2 THR 51 64.624 25.135 -5.544 403 H GLY 52 H GLY 52 68.432 25.899 -6.750 404 HA2 GLY 52 1HA GLY 52 67.552 24.132 -8.874 405 HA3 GLY 52 2HA GLY 52 68.601 25.531 -9.046 406 H ARG 53 H ARG 53 70.843 25.280 -8.219 407 HA ARG 53 HA ARG 53 71.789 22.506 -8.245 408 HB2 ARG 53 1HB ARG 53 72.760 24.722 -10.050 409 HB3 ARG 53 2HB ARG 53 73.682 23.254 -9.752 410 HG2 ARG 53 1HG ARG 53 72.057 21.902 -10.799 411 HG3 ARG 53 2HG ARG 53 70.874 23.211 -10.814 412 HD2 ARG 53 1HD ARG 53 72.463 24.470 -12.312 413 HD3 ARG 53 2HD ARG 53 73.399 22.981 -12.436 414 HE ARG 53 HE ARG 53 70.755 22.384 -13.086 415 HH11 ARG 53 1HH1 ARG 53 73.401 24.276 -14.325 416 HH12 ARG 53 2HH1 ARG 53 72.902 24.130 -15.978 417 HH21 ARG 53 1HH2 ARG 53 70.087 22.186 -15.258 418 HH22 ARG 53 2HH2 ARG 53 71.016 22.942 -16.507 419 H TRP 54 H TRP 54 73.491 22.112 -6.919 420 HA TRP 54 HA TRP 54 74.152 24.076 -4.965 421 HB2 TRP 54 1HB TRP 54 75.616 21.478 -5.424 422 HB3 TRP 54 2HB TRP 54 75.455 22.381 -3.920 423 HD1 TRP 54 HD1 TRP 54 72.507 22.709 -3.431 424 HE1 TRP 54 HE1 TRP 54 70.888 20.720 -3.202 425 HE3 TRP 54 HE3 TRP 54 75.256 19.142 -5.850 426 HZ2 TRP 54 HZ2 TRP 54 70.791 18.000 -3.948 427 HZ3 TRP 54 HZ3 TRP 54 74.329 16.872 -6.049 428 HH2 TRP 54 HH2 TRP 54 72.142 16.314 -5.117 429 H ARG 55 H ARG 55 75.966 22.554 -7.614 430 HA ARG 55 HA ARG 55 78.424 23.782 -7.188 431 HB2 ARG 55 1HB ARG 55 78.920 23.282 -9.511 432 HB3 ARG 55 2HB ARG 55 78.046 21.939 -8.787 433 HG2 ARG 55 1HG ARG 55 75.949 23.016 -9.797 434 HG3 ARG 55 2HG ARG 55 77.078 23.952 -10.779 435 HD2 ARG 55 1HD ARG 55 78.093 21.827 -11.552 436 HD3 ARG 55 2HD ARG 55 76.860 20.947 -10.649 437 HE ARG 55 HE ARG 55 75.576 22.749 -12.358 438 HH11 ARG 55 1HH1 ARG 55 77.534 19.875 -12.528 439 HH12 ARG 55 2HH1 ARG 55 76.839 19.333 -14.020 440 HH21 ARG 55 1HH2 ARG 55 74.653 22.045 -14.321 441 HH22 ARG 55 2HH2 ARG 55 75.201 20.568 -15.039 442 H ASP 56 H ASP 56 75.474 25.075 -8.439 443 HA ASP 56 HA ASP 56 76.625 27.329 -9.771 444 HB2 ASP 56 1HB ASP 56 74.325 26.318 -10.203 445 HB3 ASP 56 2HB ASP 56 73.800 27.130 -8.731 446 H VAL 57 H VAL 57 75.453 26.665 -6.536 447 HA VAL 57 HA VAL 57 75.471 29.390 -5.665 448 HB VAL 57 HB VAL 57 74.710 28.635 -3.662 449 HG11 VAL 57 1HG1 VAL 57 73.426 27.521 -5.544 450 HG12 VAL 57 2HG1 VAL 57 74.303 26.045 -5.135 451 HG13 VAL 57 3HG1 VAL 57 73.249 26.805 -3.943 452 HG21 VAL 57 3HG2 VAL 57 75.433 26.434 -2.659 453 HG22 VAL 57 1HG2 VAL 57 76.589 26.306 -3.985 454 HG23 VAL 57 2HG2 VAL 57 76.703 27.644 -2.842 455 H LYS 58 H LYS 58 77.766 26.731 -5.617 456 HA LYS 58 HA LYS 58 79.652 28.061 -3.917 457 HB2 LYS 58 1HB LYS 58 81.046 26.190 -4.239 458 HB3 LYS 58 2HB LYS 58 79.411 25.543 -4.264 459 HG2 LYS 58 1HG LYS 58 79.450 25.363 -6.650 460 HG3 LYS 58 2HG LYS 58 80.999 26.206 -6.733 461 HD2 LYS 58 1HD LYS 58 82.119 24.389 -5.645 462 HD3 LYS 58 2HD LYS 58 80.586 23.585 -5.299 463 HE2 LYS 58 1HE LYS 58 81.077 22.417 -7.162 464 HE3 LYS 58 2HE LYS 58 80.413 23.829 -7.981 465 HZ1 LYS 58 3HZ LYS 58 82.891 24.634 -7.756 466 HZ2 LYS 58 1HZ LYS 58 82.397 23.654 -9.043 467 HZ3 LYS 58 2HZ LYS 58 83.196 22.971 -7.718 468 H PHE 59 H PHE 59 79.128 27.783 -7.370 469 HA PHE 59 HA PHE 59 81.643 29.027 -8.047 470 HB2 PHE 59 1HB PHE 59 80.738 27.402 -9.589 471 HB3 PHE 59 2HB PHE 59 79.229 28.301 -9.717 472 HD1 PHE 59 HD2 PHE 59 82.839 29.219 -9.986 473 HD2 PHE 59 HD1 PHE 59 78.983 29.239 -11.789 474 HE1 PHE 59 HE2 PHE 59 83.747 30.461 -11.906 475 HE2 PHE 59 HE1 PHE 59 79.885 30.480 -13.712 476 HZ PHE 59 HZ PHE 59 82.270 31.093 -13.772 477 H ARG 60 H ARG 60 78.364 30.012 -7.474 478 HA ARG 60 HA ARG 60 78.840 32.675 -8.566 479 HB2 ARG 60 1HB ARG 60 76.665 31.382 -8.890 480 HB3 ARG 60 2HB ARG 60 76.338 31.707 -7.193 481 HG2 ARG 60 1HG ARG 60 75.448 33.644 -7.776 482 HG3 ARG 60 2HG ARG 60 77.031 34.170 -8.350 483 HD2 ARG 60 1HD ARG 60 76.019 34.357 -10.342 484 HD3 ARG 60 2HD ARG 60 76.191 32.604 -10.412 485 HE ARG 60 HE ARG 60 73.834 32.960 -9.120 486 HH11 ARG 60 1HH1 ARG 60 75.138 34.127 -12.130 487 HH12 ARG 60 2HH1 ARG 60 73.594 34.226 -12.911 488 HH21 ARG 60 1HH2 ARG 60 71.796 33.086 -10.137 489 HH22 ARG 60 2HH2 ARG 60 71.694 33.635 -11.776 490 H ALA 61 H ALA 61 80.270 31.698 -6.188 491 HA ALA 61 HA ALA 61 79.656 33.955 -4.450 492 HB1 ALA 61 1HB ALA 61 78.476 32.575 -3.106 493 HB2 ALA 61 2HB ALA 61 79.282 31.123 -3.702 494 HB3 ALA 61 3HB ALA 61 80.083 32.152 -2.514 495 H PHE 62 H PHE 62 81.644 31.045 -3.995 496 HA PHE 62 HA PHE 62 84.082 32.471 -4.576 497 HB2 PHE 62 1HB PHE 62 83.167 31.994 -1.797 498 HB3 PHE 62 2HB PHE 62 84.856 31.632 -2.135 499 HD1 PHE 62 HD2 PHE 62 86.167 33.505 -3.406 500 HD2 PHE 62 HD1 PHE 62 82.575 34.138 -1.213 501 HE1 PHE 62 HE2 PHE 62 86.721 35.893 -3.194 502 HE2 PHE 62 HE1 PHE 62 83.123 36.527 -0.997 503 HZ PHE 62 HZ PHE 62 85.199 37.407 -1.987 504 H GLU 63 H GLU 63 84.814 30.952 -5.952 505 HA GLU 63 HA GLU 63 84.623 28.134 -5.304 506 HB2 GLU 63 1HB GLU 63 85.706 27.809 -7.515 507 HB3 GLU 63 2HB GLU 63 84.237 28.771 -7.599 508 HG2 GLU 63 1HG GLU 63 85.437 30.766 -7.927 509 HG3 GLU 63 2HG GLU 63 86.961 30.018 -7.454 510 H ASN 64 H ASN 64 86.559 30.421 -4.176 511 HA ASN 64 HA ASN 64 88.957 28.708 -4.191 512 HB2 ASN 64 1HB ASN 64 89.147 31.007 -5.266 513 HB3 ASN 64 2HB ASN 64 88.934 31.678 -3.652 514 HD21 ASN 64 2HD2 ASN 64 91.083 30.205 -5.856 515 HD22 ASN 64 1HD2 ASN 64 92.482 30.199 -4.842 516 H VAL 65 H VAL 65 86.703 30.547 -2.265 517 HA VAL 65 HA VAL 65 87.956 30.661 0.186 518 HB VAL 65 HB VAL 65 85.714 31.623 -0.337 519 HG11 VAL 65 1HG1 VAL 65 84.992 29.226 -1.215 520 HG12 VAL 65 2HG1 VAL 65 84.413 29.073 0.445 521 HG13 VAL 65 3HG1 VAL 65 83.821 30.381 -0.580 522 HG21 VAL 65 3HG2 VAL 65 85.092 31.694 1.869 523 HG22 VAL 65 1HG2 VAL 65 85.366 29.969 2.114 524 HG23 VAL 65 2HG2 VAL 65 86.736 31.075 2.028 525 H HIS 66 H HIS 66 87.919 29.327 2.047 526 HA HIS 66 HA HIS 66 88.635 26.688 1.687 527 HB2 HIS 66 1HB HIS 66 88.496 26.432 4.056 528 HB3 HIS 66 2HB HIS 66 88.983 28.097 3.754 529 HD1 HIS 66 HD1 HIS 66 86.008 26.062 4.851 530 HD2 HIS 66 HD2 HIS 66 87.256 30.022 4.711 531 HE1 HIS 66 HE1 HIS 66 84.307 27.350 6.182 532 H HIS 67 H HIS 67 87.581 24.695 2.147 533 HA HIS 67 HA HIS 67 85.911 23.186 1.784 534 HB2 HIS 67 1HB HIS 67 84.584 25.268 3.501 535 HB3 HIS 67 2HB HIS 67 83.700 23.845 2.959 536 HD1 HIS 67 HD1 HIS 67 83.555 23.271 5.561 537 HD2 HIS 67 HD2 HIS 67 87.347 23.089 3.874 538 HE1 HIS 67 HE1 HIS 67 84.957 21.973 7.197 539 H ARG 68 H ARG 68 86.313 24.513 -0.475 540 HA ARG 68 HA ARG 68 83.924 25.785 -1.454 541 HB2 ARG 68 1HB ARG 68 85.134 25.758 -3.642 542 HB3 ARG 68 2HB ARG 68 86.022 26.539 -2.341 543 HG2 ARG 68 1HG ARG 68 87.702 25.078 -2.459 544 HG3 ARG 68 2HG ARG 68 86.612 23.697 -2.595 545 HD2 ARG 68 1HD ARG 68 86.546 23.802 -4.887 546 HD3 ARG 68 2HD ARG 68 86.895 25.530 -4.923 547 HE ARG 68 HE ARG 68 89.141 25.050 -4.937 548 HH11 ARG 68 1HH1 ARG 68 87.340 22.180 -4.138 549 HH12 ARG 68 2HH1 ARG 68 88.710 21.128 -4.265 550 HH21 ARG 68 1HH2 ARG 68 90.952 23.675 -5.106 551 HH22 ARG 68 2HH2 ARG 68 90.765 21.979 -4.814 552 H THR 69 H THR 69 82.871 23.597 -0.605 553 HA THR 69 HA THR 69 82.701 21.740 -2.886 554 HB THR 69 HB THR 69 81.470 20.831 -0.391 555 HG1 THR 69 HG1 THR 69 83.108 21.568 0.781 556 HG21 THR 69 3HG2 THR 69 83.635 19.601 -2.095 557 HG22 THR 69 1HG2 THR 69 81.910 19.455 -2.430 558 HG23 THR 69 2HG2 THR 69 82.581 18.776 -0.947 559 H TYR 70 H TYR 70 80.893 21.769 -4.039 560 HA TYR 70 HA TYR 70 78.797 23.505 -3.723 561 HB2 TYR 70 1HB TYR 70 77.511 22.018 -5.233 562 HB3 TYR 70 2HB TYR 70 79.155 22.296 -5.796 563 HD1 TYR 70 HD2 TYR 70 80.864 20.496 -5.533 564 HD2 TYR 70 HD1 TYR 70 76.745 19.832 -4.700 565 HE1 TYR 70 HE2 TYR 70 81.235 18.068 -5.663 566 HE2 TYR 70 HE1 TYR 70 77.104 17.402 -4.826 567 HH TYR 70 HH TYR 70 78.812 15.785 -4.704 568 H VAL 71 H VAL 71 78.985 20.150 -2.579 569 HA VAL 71 HA VAL 71 76.387 20.098 -1.442 570 HB VAL 71 HB VAL 71 77.581 18.038 -1.996 571 HG11 VAL 71 1HG1 VAL 71 79.794 19.147 -1.025 572 HG12 VAL 71 2HG1 VAL 71 79.314 18.227 0.403 573 HG13 VAL 71 3HG1 VAL 71 79.585 17.399 -1.131 574 HG21 VAL 71 3HG2 VAL 71 76.173 18.571 0.403 575 HG22 VAL 71 1HG2 VAL 71 76.276 17.056 -0.494 576 HG23 VAL 71 2HG2 VAL 71 77.446 17.409 0.777 577 H ASP 72 H ASP 72 79.528 21.086 -0.257 578 HA ASP 72 HA ASP 72 78.902 21.155 2.496 579 HB2 ASP 72 1HB ASP 72 81.213 21.219 1.590 580 HB3 ASP 72 2HB ASP 72 80.909 22.849 0.995 581 H LEU 73 H LEU 73 78.637 23.561 -0.078 582 HA LEU 73 HA LEU 73 77.863 25.713 1.594 583 HB2 LEU 73 1HB LEU 73 77.574 25.175 -1.345 584 HB3 LEU 73 2HB LEU 73 76.936 26.639 -0.600 585 HG LEU 73 HG LEU 73 79.550 26.607 0.257 586 HD11 LEU 73 1HD1 LEU 73 79.328 25.127 -2.274 587 HD12 LEU 73 2HD1 LEU 73 80.603 25.118 -1.057 588 HD13 LEU 73 3HD1 LEU 73 80.531 26.416 -2.249 589 HD21 LEU 73 3HD2 LEU 73 79.823 28.502 -1.146 590 HD22 LEU 73 1HD2 LEU 73 78.133 28.481 -0.641 591 HD23 LEU 73 2HD2 LEU 73 78.576 27.941 -2.260 592 H LYS 74 H LYS 74 75.972 23.526 -0.485 593 HA LYS 74 HA LYS 74 73.445 24.545 0.146 594 HB2 LYS 74 1HB LYS 74 73.740 23.066 -1.736 595 HB3 LYS 74 2HB LYS 74 74.290 21.766 -0.687 596 HG2 LYS 74 1HG LYS 74 72.058 21.275 -1.302 597 HG3 LYS 74 2HG LYS 74 72.025 21.797 0.384 598 HD2 LYS 74 1HD LYS 74 71.326 24.034 -0.322 599 HD3 LYS 74 2HD LYS 74 71.365 23.515 -2.009 600 HE2 LYS 74 1HE LYS 74 69.760 21.621 -0.992 601 HE3 LYS 74 2HE LYS 74 69.391 22.941 0.116 602 HZ1 LYS 74 3HZ LYS 74 67.874 23.099 -1.664 603 HZ2 LYS 74 1HZ LYS 74 69.086 22.913 -2.831 604 HZ3 LYS 74 2HZ LYS 74 69.005 24.333 -1.916 605 H ASP 75 H ASP 75 75.268 21.873 1.615 606 HA ASP 75 HA ASP 75 73.306 21.165 3.512 607 HB2 ASP 75 1HB ASP 75 75.411 19.865 2.773 608 HB3 ASP 75 2HB ASP 75 76.260 20.830 3.977 609 H LYS 76 H LYS 76 75.988 23.453 3.603 610 HA LYS 76 HA LYS 76 75.815 24.077 6.353 611 HB2 LYS 76 1HB LYS 76 77.756 24.598 4.857 612 HB3 LYS 76 2HB LYS 76 76.790 25.874 4.127 613 HG2 LYS 76 1HG LYS 76 76.845 27.185 6.037 614 HG3 LYS 76 2HG LYS 76 77.251 25.821 7.081 615 HD2 LYS 76 1HD LYS 76 79.433 25.718 5.693 616 HD3 LYS 76 2HD LYS 76 79.013 27.363 5.210 617 HE2 LYS 76 1HE LYS 76 80.512 27.377 7.129 618 HE3 LYS 76 2HE LYS 76 78.933 28.031 7.562 619 HZ1 LYS 76 3HZ LYS 76 78.405 26.166 8.793 620 HZ2 LYS 76 1HZ LYS 76 80.054 26.349 9.125 621 HZ3 LYS 76 2HZ LYS 76 79.541 25.182 8.014 622 H TRP 77 H TRP 77 74.138 25.271 3.520 623 HA TRP 77 HA TRP 77 72.994 27.563 4.742 624 HB2 TRP 77 1HB TRP 77 73.035 27.571 2.382 625 HB3 TRP 77 2HB TRP 77 72.316 25.966 2.281 626 HD1 TRP 77 HD1 TRP 77 71.160 29.369 3.783 627 HE1 TRP 77 HE1 TRP 77 68.705 29.731 3.099 628 HE3 TRP 77 HE3 TRP 77 70.417 25.068 1.121 629 HZ2 TRP 77 HZ2 TRP 77 66.717 28.373 1.627 630 HZ3 TRP 77 HZ3 TRP 77 68.209 24.676 0.107 631 HH2 TRP 77 HH2 TRP 77 66.399 26.294 0.357 632 H LYS 78 H LYS 78 71.682 24.326 4.043 633 HA LYS 78 HA LYS 78 69.155 24.688 5.153 634 HB2 LYS 78 1HB LYS 78 69.367 22.733 3.924 635 HB3 LYS 78 2HB LYS 78 70.896 22.302 4.677 636 HG2 LYS 78 1HG LYS 78 68.513 22.362 6.427 637 HG3 LYS 78 2HG LYS 78 68.608 21.064 5.235 638 HD2 LYS 78 1HD LYS 78 71.085 20.900 6.187 639 HD3 LYS 78 2HD LYS 78 70.310 21.602 7.609 640 HE2 LYS 78 1HE LYS 78 69.458 19.081 6.186 641 HE3 LYS 78 2HE LYS 78 70.332 19.159 7.715 642 HZ1 LYS 78 3HZ LYS 78 67.534 19.903 7.150 643 HZ2 LYS 78 1HZ LYS 78 68.343 20.549 8.489 644 HZ3 LYS 78 2HZ LYS 78 68.139 18.876 8.351 645 H THR 79 H THR 79 72.140 23.522 6.681 646 HA THR 79 HA THR 79 71.078 22.990 9.216 647 HB THR 79 HB THR 79 73.878 23.881 8.497 648 HG1 THR 79 HG1 THR 79 72.803 21.275 8.933 649 HG21 THR 79 3HG2 THR 79 74.518 22.799 10.629 650 HG22 THR 79 1HG2 THR 79 72.809 22.578 11.004 651 HG23 THR 79 2HG2 THR 79 73.479 24.204 10.867 652 H LEU 80 H LEU 80 72.734 25.915 8.031 653 HA LEU 80 HA LEU 80 72.545 27.430 10.355 654 HB2 LEU 80 1HB LEU 80 73.403 29.097 9.123 655 HB3 LEU 80 2HB LEU 80 73.606 27.830 7.915 656 HG LEU 80 HG LEU 80 71.230 28.611 7.134 657 HD11 LEU 80 1HD1 LEU 80 70.395 30.372 8.186 658 HD12 LEU 80 2HD1 LEU 80 71.757 31.332 7.609 659 HD13 LEU 80 3HD1 LEU 80 71.850 30.519 9.172 660 HD21 LEU 80 3HD2 LEU 80 73.371 30.565 6.475 661 HD22 LEU 80 1HD2 LEU 80 72.264 29.696 5.413 662 HD23 LEU 80 2HD2 LEU 80 73.652 28.862 6.111 663 H VAL 81 H VAL 81 70.163 26.767 7.887 664 HA VAL 81 HA VAL 81 68.318 28.800 8.585 665 HB VAL 81 HB VAL 81 67.881 26.147 7.211 666 HG11 VAL 81 1HG1 VAL 81 65.998 28.256 8.048 667 HG12 VAL 81 2HG1 VAL 81 65.814 27.664 6.396 668 HG13 VAL 81 3HG1 VAL 81 65.724 26.539 7.752 669 HG21 VAL 81 3HG2 VAL 81 69.213 28.367 6.314 670 HG22 VAL 81 1HG2 VAL 81 68.458 27.144 5.292 671 HG23 VAL 81 2HG2 VAL 81 67.583 28.623 5.690 672 H HIS 82 H HIS 82 68.614 25.393 9.533 673 HA HIS 82 HA HIS 82 66.297 25.275 11.120 674 HB2 HIS 82 1HB HIS 82 67.481 23.267 10.367 675 HB3 HIS 82 2HB HIS 82 68.866 23.694 11.367 676 HD1 HIS 82 HD1 HIS 82 65.342 22.418 11.606 677 HD2 HIS 82 HD2 HIS 82 68.642 23.038 14.054 678 HE1 HIS 82 HE1 HIS 82 64.797 21.266 13.774 679 H THR 83 H THR 83 69.625 26.178 11.875 680 HA THR 83 HA THR 83 69.202 26.434 14.683 681 HB THR 83 HB THR 83 71.369 27.739 13.028 682 HG1 THR 83 HG1 THR 83 72.542 25.857 13.392 683 HG21 THR 83 3HG2 THR 83 71.535 28.707 15.122 684 HG22 THR 83 1HG2 THR 83 72.586 27.302 15.299 685 HG23 THR 83 2HG2 THR 83 70.947 27.266 15.951 686 H ALA 84 H ALA 84 68.836 28.558 11.939 687 HA ALA 84 HA ALA 84 68.558 30.933 13.570 688 HB1 ALA 84 1HB ALA 84 69.560 30.916 11.259 689 HB2 ALA 84 2HB ALA 84 67.927 30.662 10.640 690 HB3 ALA 84 3HB ALA 84 68.311 32.130 11.538 691 H SER 85 H SER 85 66.582 28.368 12.738 692 HA SER 85 HA SER 85 64.131 29.980 12.856 693 HB2 SER 85 1HB SER 85 64.634 28.133 11.054 694 HB3 SER 85 2HB SER 85 64.123 27.029 12.331 695 HG SER 85 HG SER 85 62.123 27.785 12.214 696 H ILE 86 H ILE 86 65.874 27.391 14.464 697 HA ILE 86 HA ILE 86 63.944 26.515 16.257 698 HB ILE 86 HB ILE 86 65.864 25.949 17.772 699 HG12 ILE 86 1HG1 ILE 86 67.543 27.088 15.530 700 HG13 ILE 86 2HG1 ILE 86 67.277 27.894 17.072 701 HG21 ILE 86 1HG2 ILE 86 66.937 24.832 15.379 702 HG22 ILE 86 2HG2 ILE 86 65.913 24.070 16.595 703 HG23 ILE 86 3HG2 ILE 86 65.182 24.920 15.234 704 HD11 ILE 86 3HD1 ILE 86 68.923 25.511 16.432 705 HD12 ILE 86 1HD1 ILE 86 69.278 26.890 17.473 706 HD13 ILE 86 2HD1 ILE 86 68.186 25.622 18.031 707 H ALA 87 H ALA 87 64.362 26.873 18.766 708 HA ALA 87 HA ALA 87 63.300 29.319 19.463 709 HB1 ALA 87 1HB ALA 87 64.927 28.361 21.619 710 HB2 ALA 87 2HB ALA 87 63.171 28.341 21.450 711 HB3 ALA 87 3HB ALA 87 64.134 27.006 20.817 712 HA PRO 88 HA PRO 88 66.510 32.310 19.502 713 HB2 PRO 88 1HB PRO 88 65.948 33.740 21.740 714 HB3 PRO 88 2HB PRO 88 64.962 33.821 20.275 715 HG2 PRO 88 1HG PRO 88 64.497 32.260 22.786 716 HG3 PRO 88 2HG PRO 88 63.341 33.194 21.820 717 HD2 PRO 88 1HD PRO 88 63.531 30.498 21.657 718 HD3 PRO 88 2HD PRO 88 63.083 31.509 20.268 719 H GLN 89 H GLN 89 66.062 30.436 22.442 720 HA GLN 89 HA GLN 89 68.610 31.171 23.556 721 HB2 GLN 89 1HB GLN 89 68.097 29.480 25.269 722 HB3 GLN 89 2HB GLN 89 66.764 30.603 25.037 723 HG2 GLN 89 1HG GLN 89 65.579 28.961 23.705 724 HG3 GLN 89 2HG GLN 89 66.931 27.840 23.855 725 HE21 GLN 89 2HE2 GLN 89 67.416 26.990 25.946 726 HE22 GLN 89 1HE2 GLN 89 66.176 26.860 27.142 727 H GLN 90 H GLN 90 67.778 29.263 21.017 728 HA GLN 90 HA GLN 90 70.081 27.471 21.430 729 HB2 GLN 90 1HB GLN 90 67.734 26.934 19.610 730 HB3 GLN 90 2HB GLN 90 69.006 25.813 20.078 731 HG2 GLN 90 1HG GLN 90 68.192 25.770 22.347 732 HG3 GLN 90 2HG GLN 90 66.980 26.991 21.964 733 HE21 GLN 90 2HE2 GLN 90 66.470 24.426 23.055 734 HE22 GLN 90 1HE2 GLN 90 65.512 23.551 21.914 735 H ARG 91 H ARG 91 68.461 29.697 19.294 736 HA ARG 91 HA ARG 91 69.994 29.209 16.970 737 HB2 ARG 91 1HB ARG 91 69.047 31.199 16.096 738 HB3 ARG 91 2HB ARG 91 67.808 30.480 17.116 739 HG2 ARG 91 1HG ARG 91 68.400 32.037 18.916 740 HG3 ARG 91 2HG ARG 91 69.611 32.772 17.864 741 HD2 ARG 91 1HD ARG 91 67.727 33.214 16.232 742 HD3 ARG 91 2HD ARG 91 66.622 32.757 17.528 743 HE ARG 91 HE ARG 91 68.434 34.745 18.413 744 HH11 ARG 91 1HH1 ARG 91 65.604 34.286 16.439 745 HH12 ARG 91 2HH1 ARG 91 65.028 35.905 16.660 746 HH21 ARG 91 1HH2 ARG 91 67.686 36.879 18.712 747 HH22 ARG 91 2HH2 ARG 91 66.213 37.379 17.952 748 H ARG 92 H ARG 92 70.623 30.959 19.885 749 HA ARG 92 HA ARG 92 72.504 32.821 19.109 750 HB2 ARG 92 1HB ARG 92 71.755 32.766 21.381 751 HB3 ARG 92 2HB ARG 92 72.358 31.129 21.603 752 HG2 ARG 92 1HG ARG 92 74.656 31.961 21.346 753 HG3 ARG 92 2HG ARG 92 74.025 33.602 21.189 754 HD2 ARG 92 1HD ARG 92 73.083 33.477 23.424 755 HD3 ARG 92 2HD ARG 92 73.626 31.807 23.580 756 HE ARG 92 HE ARG 92 75.904 33.204 23.053 757 HH11 ARG 92 1HH1 ARG 92 73.381 33.446 25.440 758 HH12 ARG 92 2HH1 ARG 92 74.420 34.099 26.662 759 HH21 ARG 92 1HH2 ARG 92 77.283 34.063 24.655 760 HH22 ARG 92 2HH2 ARG 92 76.639 34.450 26.214 761 H GLY 93 H GLY 93 74.431 32.704 18.166 762 HA2 GLY 93 1HA GLY 93 76.177 30.427 18.670 763 HA3 GLY 93 2HA GLY 93 75.640 30.631 17.009 764 H ALA 94 H ALA 94 76.504 32.247 15.753 765 HA ALA 94 HA ALA 94 78.834 33.613 16.916 766 HB1 ALA 94 1HB ALA 94 79.863 32.684 15.168 767 HB2 ALA 94 2HB ALA 94 78.339 32.298 14.368 768 HB3 ALA 94 3HB ALA 94 79.047 33.903 14.189 769 HA PRO 95 HA PRO 95 77.133 37.615 16.335 770 HB2 PRO 95 1HB PRO 95 79.272 39.038 15.458 771 HB3 PRO 95 2HB PRO 95 79.115 38.468 17.123 772 HG2 PRO 95 1HG PRO 95 80.676 37.289 14.857 773 HG3 PRO 95 2HG PRO 95 81.150 37.498 16.553 774 HD2 PRO 95 1HD PRO 95 80.297 35.128 15.560 775 HD3 PRO 95 2HD PRO 95 79.996 35.625 17.238 776 H VAL 96 H VAL 96 75.754 36.884 14.544 777 HA VAL 96 HA VAL 96 76.658 37.974 11.957 778 HB VAL 96 HB VAL 96 74.919 36.368 10.968 779 HG11 VAL 96 1HG1 VAL 96 77.648 36.100 11.547 780 HG12 VAL 96 2HG1 VAL 96 76.918 34.533 11.904 781 HG13 VAL 96 3HG1 VAL 96 76.723 35.254 10.306 782 HG21 VAL 96 3HG2 VAL 96 74.148 34.566 12.196 783 HG22 VAL 96 1HG2 VAL 96 75.415 34.722 13.413 784 HG23 VAL 96 2HG2 VAL 96 74.078 35.871 13.379 785 HA PRO 97 HA PRO 97 73.212 40.694 11.971 786 HB2 PRO 97 1HB PRO 97 72.584 40.788 9.332 787 HB3 PRO 97 2HB PRO 97 74.028 41.555 10.004 788 HG2 PRO 97 1HG PRO 97 73.762 38.929 8.591 789 HG3 PRO 97 2HG PRO 97 75.007 40.178 8.406 790 HD2 PRO 97 1HD PRO 97 75.399 37.935 9.872 791 HD3 PRO 97 2HD PRO 97 76.156 39.489 10.282 792 H GLN 98 H GLN 98 71.019 40.665 12.159 793 HA GLN 98 HA GLN 98 69.672 38.189 12.205 794 HB2 GLN 98 1HB GLN 98 67.638 39.546 12.614 795 HB3 GLN 98 2HB GLN 98 68.981 39.993 13.658 796 HG2 GLN 98 1HG GLN 98 69.459 41.914 12.242 797 HG3 GLN 98 2HG GLN 98 68.133 41.462 11.172 798 HE21 GLN 98 2HE2 GLN 98 67.267 43.561 11.590 799 HE22 GLN 98 1HE2 GLN 98 66.378 43.863 13.040 800 H GLU 99 H GLU 99 69.949 40.692 9.782 801 HA GLU 99 HA GLU 99 67.801 40.064 8.135 802 HB2 GLU 99 1HB GLU 99 69.140 41.053 6.301 803 HB3 GLU 99 2HB GLU 99 69.141 42.042 7.755 804 HG2 GLU 99 1HG GLU 99 71.349 41.754 8.121 805 HG3 GLU 99 2HG GLU 99 71.353 40.109 7.487 806 H LEU 100 H LEU 100 70.814 38.403 8.620 807 HA LEU 100 HA LEU 100 70.749 36.824 6.256 808 HB2 LEU 100 1HB LEU 100 72.349 36.999 8.685 809 HB3 LEU 100 2HB LEU 100 72.153 35.346 8.107 810 HG LEU 100 HG LEU 100 73.164 35.905 5.999 811 HD11 LEU 100 1HD1 LEU 100 74.205 38.378 6.058 812 HD12 LEU 100 2HD1 LEU 100 72.699 38.665 6.927 813 HD13 LEU 100 3HD1 LEU 100 72.662 37.989 5.299 814 HD21 LEU 100 3HD2 LEU 100 75.395 36.873 6.905 815 HD22 LEU 100 1HD2 LEU 100 74.832 35.305 7.484 816 HD23 LEU 100 2HD2 LEU 100 74.609 36.744 8.479 817 H LEU 101 H LEU 101 69.558 36.366 9.546 818 HA LEU 101 HA LEU 101 68.718 33.665 9.118 819 HB2 LEU 101 1HB LEU 101 67.953 35.652 11.253 820 HB3 LEU 101 2HB LEU 101 67.549 33.936 11.272 821 HG LEU 101 HG LEU 101 69.373 33.748 12.558 822 HD11 LEU 101 1HD1 LEU 101 71.351 33.199 11.393 823 HD12 LEU 101 2HD1 LEU 101 70.955 34.279 10.057 824 HD13 LEU 101 3HD1 LEU 101 70.020 32.805 10.305 825 HD21 LEU 101 3HD2 LEU 101 69.479 36.263 12.687 826 HD22 LEU 101 1HD2 LEU 101 70.633 36.203 11.355 827 HD23 LEU 101 2HD2 LEU 101 71.017 35.423 12.890 828 H ASP 102 H ASP 102 67.308 36.805 8.659 829 HA ASP 102 HA ASP 102 64.595 35.903 8.494 830 HB2 ASP 102 1HB ASP 102 65.070 38.211 9.095 831 HB3 ASP 102 2HB ASP 102 65.899 38.468 7.562 832 H ARG 103 H ARG 103 67.174 36.565 6.180 833 HA ARG 103 HA ARG 103 65.562 36.207 3.860 834 HB2 ARG 103 1HB ARG 103 67.725 36.089 2.659 835 HB3 ARG 103 2HB ARG 103 67.612 37.484 3.724 836 HG2 ARG 103 1HG ARG 103 68.945 36.280 5.405 837 HG3 ARG 103 2HG ARG 103 69.099 34.927 4.283 838 HD2 ARG 103 1HD ARG 103 71.072 36.408 4.272 839 HD3 ARG 103 2HD ARG 103 70.276 36.317 2.702 840 HE ARG 103 HE ARG 103 69.409 38.530 4.321 841 HH11 ARG 103 1HH1 ARG 103 71.764 37.412 2.013 842 HH12 ARG 103 2HH1 ARG 103 72.154 39.002 1.445 843 HH21 ARG 103 1HH2 ARG 103 69.914 40.628 3.581 844 HH22 ARG 103 2HH2 ARG 103 71.102 40.831 2.339 845 H VAL 104 H VAL 104 67.739 34.101 5.693 846 HA VAL 104 HA VAL 104 67.564 31.876 3.956 847 HB VAL 104 HB VAL 104 68.466 30.559 5.807 848 HG11 VAL 104 1HG1 VAL 104 70.186 31.619 4.696 849 HG12 VAL 104 2HG1 VAL 104 69.651 33.229 5.182 850 HG13 VAL 104 3HG1 VAL 104 70.442 32.171 6.351 851 HG21 VAL 104 3HG2 VAL 104 68.949 31.738 7.974 852 HG22 VAL 104 1HG2 VAL 104 67.867 33.021 7.433 853 HG23 VAL 104 2HG2 VAL 104 67.247 31.388 7.675 854 H LEU 105 H LEU 105 65.701 32.868 6.786 855 HA LEU 105 HA LEU 105 64.156 30.488 6.960 856 HB2 LEU 105 1HB LEU 105 63.837 33.262 8.057 857 HB3 LEU 105 2HB LEU 105 62.600 32.030 8.297 858 HG LEU 105 HG LEU 105 65.465 31.782 9.209 859 HD11 LEU 105 1HD1 LEU 105 64.718 33.389 10.647 860 HD12 LEU 105 2HD1 LEU 105 64.154 31.946 11.489 861 HD13 LEU 105 3HD1 LEU 105 63.032 32.891 10.509 862 HD21 LEU 105 3HD2 LEU 105 63.599 29.812 8.764 863 HD22 LEU 105 1HD2 LEU 105 63.416 30.153 10.484 864 HD23 LEU 105 2HD2 LEU 105 64.992 29.694 9.840 865 H ALA 106 H ALA 106 63.406 33.738 5.705 866 HA ALA 106 HA ALA 106 60.839 33.149 4.755 867 HB1 ALA 106 1HB ALA 106 61.265 35.128 3.211 868 HB2 ALA 106 2HB ALA 106 61.403 35.420 4.945 869 HB3 ALA 106 3HB ALA 106 62.856 35.229 3.965 870 H ALA 107 H ALA 107 63.995 32.969 3.150 871 HA ALA 107 HA ALA 107 62.988 32.232 0.605 872 HB1 ALA 107 1HB ALA 107 65.224 33.183 0.931 873 HB2 ALA 107 2HB ALA 107 65.720 31.716 1.775 874 HB3 ALA 107 3HB ALA 107 65.284 31.646 0.068 875 H GLN 108 H GLN 108 63.937 30.407 3.453 876 HA GLN 108 HA GLN 108 64.044 27.852 2.299 877 HB2 GLN 108 1HB GLN 108 64.902 28.353 4.545 878 HB3 GLN 108 2HB GLN 108 63.261 28.625 5.115 879 HG2 GLN 108 1HG GLN 108 64.033 26.007 3.900 880 HG3 GLN 108 2HG GLN 108 64.403 26.365 5.586 881 HE21 GLN 108 2HE2 GLN 108 62.537 27.113 6.906 882 HE22 GLN 108 1HE2 GLN 108 61.008 26.360 6.628 883 H ALA 109 H ALA 109 61.365 29.485 3.985 884 HA ALA 109 HA ALA 109 59.495 27.398 3.459 885 HB1 ALA 109 1HB ALA 109 58.627 30.191 4.052 886 HB2 ALA 109 2HB ALA 109 57.961 28.659 4.621 887 HB3 ALA 109 3HB ALA 109 59.478 29.262 5.288 888 H TYR 110 H TYR 110 60.503 30.273 1.769 889 HA TYR 110 HA TYR 110 58.266 30.425 0.007 890 HB2 TYR 110 1HB TYR 110 60.937 31.718 0.202 891 HB3 TYR 110 2HB TYR 110 60.151 31.734 -1.373 892 HD1 TYR 110 HD1 TYR 110 58.570 31.975 1.984 893 HD2 TYR 110 HD2 TYR 110 59.542 33.978 -1.641 894 HE1 TYR 110 HE1 TYR 110 57.210 33.899 2.690 895 HE2 TYR 110 HE2 TYR 110 58.186 35.908 -0.946 896 HH TYR 110 HH TYR 110 57.392 36.894 1.282 897 H TRP 111 H TRP 111 61.513 29.030 -0.239 898 HA TRP 111 HA TRP 111 61.205 28.153 -2.930 899 HB2 TRP 111 1HB TRP 111 63.159 27.487 -0.737 900 HB3 TRP 111 2HB TRP 111 63.209 26.668 -2.296 901 HD1 TRP 111 HD1 TRP 111 65.033 29.221 -0.705 902 HE1 TRP 111 HE1 TRP 111 65.938 30.995 -2.336 903 HE3 TRP 111 HE3 TRP 111 62.067 28.200 -4.742 904 HZ2 TRP 111 HZ2 TRP 111 65.458 31.848 -4.983 905 HZ3 TRP 111 HZ3 TRP 111 62.353 29.542 -6.785 906 HH2 TRP 111 HH2 TRP 111 64.014 31.328 -6.901 907 H SER 112 H SER 112 60.116 26.958 0.080 908 HA SER 112 HA SER 112 60.053 24.199 -0.395 909 HB2 SER 112 1HB SER 112 59.457 25.656 1.740 910 HB3 SER 112 2HB SER 112 57.817 25.480 1.115 911 HG SER 112 HG SER 112 58.019 23.265 1.263 912 H VAL 113 H VAL 113 59.234 23.345 -2.200 913 HA VAL 113 HA VAL 113 56.596 24.287 -3.119 914 HB VAL 113 HB VAL 113 58.284 24.650 -4.811 915 HG11 VAL 113 1HG1 VAL 113 59.888 22.954 -3.999 916 HG12 VAL 113 2HG1 VAL 113 58.857 21.692 -4.676 917 HG13 VAL 113 3HG1 VAL 113 59.625 22.870 -5.740 918 HG21 VAL 113 3HG2 VAL 113 57.314 23.361 -6.653 919 HG22 VAL 113 1HG2 VAL 113 56.555 22.273 -5.492 920 HG23 VAL 113 2HG2 VAL 113 56.065 23.966 -5.565 921 H ASP 114 H ASP 114 58.586 21.453 -2.464 922 HA ASP 114 HA ASP 114 56.276 19.895 -1.799 923 HB2 ASP 114 1HB ASP 114 56.263 18.320 -3.513 924 HB3 ASP 114 2HB ASP 114 56.552 19.821 -4.388 925 H SER 115 H SER 115 56.826 17.824 -0.881 926 HA SER 115 HA SER 115 59.388 17.909 0.456 927 HB2 SER 115 1HB SER 115 58.529 16.032 1.775 928 HB3 SER 115 2HB SER 115 57.334 17.328 1.701 929 HG SER 115 HG SER 115 56.999 14.814 1.028 930 H SER 116 H SER 116 60.850 17.490 -1.227 931 HA SER 116 HA SER 116 61.051 14.654 -1.919 932 HB2 SER 116 1HB SER 116 60.888 16.936 -3.863 933 HB3 SER 116 2HB SER 116 61.830 15.501 -4.268 934 HG SER 116 HG SER 116 59.408 15.673 -4.779 935 H GLY 117 H GLY 117 63.106 13.880 -1.942 936 HA2 GLY 117 1HA GLY 117 65.492 14.519 -2.501 937 HA3 GLY 117 2HA GLY 117 65.236 15.846 -1.378 938 H ARG 118 H ARG 118 67.277 13.875 -1.171 939 HA ARG 118 HA ARG 118 67.016 13.179 1.549 940 HB2 ARG 118 1HB ARG 118 65.564 11.442 0.179 941 HB3 ARG 118 2HB ARG 118 67.132 10.700 -0.111 942 HG2 ARG 118 1HG ARG 118 67.405 10.090 2.072 943 HG3 ARG 118 2HG ARG 118 66.402 11.409 2.681 944 HD2 ARG 118 1HD ARG 118 64.406 10.294 2.080 945 HD3 ARG 118 2HD ARG 118 65.275 9.114 1.100 946 HE ARG 118 HE ARG 118 66.027 9.062 3.867 947 HH11 ARG 118 1HH1 ARG 118 63.725 7.920 1.519 948 HH12 ARG 118 2HH1 ARG 118 63.295 6.512 2.433 949 HH21 ARG 118 1HH2 ARG 118 65.469 7.213 5.080 950 HH22 ARG 118 2HH2 ARG 118 64.287 6.111 4.459 951 H ILE 119 H ILE 119 68.870 11.750 2.271 952 HA ILE 119 HA ILE 119 71.292 12.801 1.346 953 HB ILE 119 HB ILE 119 70.894 10.238 2.893 954 HG12 ILE 119 1HG1 ILE 119 69.810 12.166 3.975 955 HG13 ILE 119 2HG1 ILE 119 71.205 11.613 4.894 956 HG21 ILE 119 1HG2 ILE 119 73.234 11.543 1.880 957 HG22 ILE 119 2HG2 ILE 119 73.260 11.553 3.642 958 HG23 ILE 119 3HG2 ILE 119 73.101 10.028 2.772 959 HD11 ILE 119 3HD1 ILE 119 72.534 13.433 3.878 960 HD12 ILE 119 1HD1 ILE 119 71.067 14.017 3.093 961 HD13 ILE 119 2HD1 ILE 119 71.180 14.005 4.854 962 H VAL 120 H VAL 120 71.701 12.528 -0.804 963 HA VAL 120 HA VAL 120 72.585 9.891 -1.619 964 HB VAL 120 HB VAL 120 70.190 9.907 -2.252 965 HG11 VAL 120 1HG1 VAL 120 69.194 11.556 -3.410 966 HG12 VAL 120 2HG1 VAL 120 70.551 12.530 -2.842 967 HG13 VAL 120 3HG1 VAL 120 70.594 11.810 -4.451 968 HG21 VAL 120 3HG2 VAL 120 70.514 8.954 -4.358 969 HG22 VAL 120 1HG2 VAL 120 71.828 10.060 -4.759 970 HG23 VAL 120 2HG2 VAL 120 72.085 8.778 -3.576 971 H THR 121 H THR 121 74.309 10.006 -2.935 972 HA THR 121 HA THR 121 75.028 12.660 -3.989 973 HB THR 121 HB THR 121 77.030 10.454 -3.668 974 HG1 THR 121 HG1 THR 121 77.408 11.385 -1.522 975 HG21 THR 121 3HG2 THR 121 77.018 13.355 -4.121 976 HG22 THR 121 1HG2 THR 121 78.218 12.144 -4.568 977 HG23 THR 121 2HG2 THR 121 78.199 12.804 -2.933 978 H LEU 122 H LEU 122 75.180 9.187 -4.728 979 HA LEU 122 HA LEU 122 75.292 9.893 -7.587 980 HB2 LEU 122 1HB LEU 122 77.252 8.629 -6.388 981 HB3 LEU 122 2HB LEU 122 76.191 7.235 -6.577 982 HG LEU 122 HG LEU 122 77.847 7.346 -8.362 983 HD11 LEU 122 1HD1 LEU 122 75.131 8.025 -9.465 984 HD12 LEU 122 2HD1 LEU 122 75.534 6.463 -8.753 985 HD13 LEU 122 3HD1 LEU 122 76.377 7.017 -10.200 986 HD21 LEU 122 3HD2 LEU 122 78.484 9.315 -9.163 987 HD22 LEU 122 1HD2 LEU 122 77.157 10.127 -8.333 988 HD23 LEU 122 2HD2 LEU 122 76.912 9.466 -9.950 Start of MODEL 13 1 H1 GLY 1 H GLY 1 26.664 28.564 10.955 2 HA2 GLY 1 1HA GLY 1 28.507 30.041 9.510 3 HA3 GLY 1 2HA GLY 1 29.035 30.121 11.184 4 H SER 2 H SER 2 28.171 27.501 11.935 5 HA SER 2 HA SER 2 29.279 25.539 10.203 6 HB2 SER 2 1HB SER 2 31.409 26.492 10.797 7 HB3 SER 2 2HB SER 2 30.987 26.497 12.509 8 HG SER 2 HG SER 2 32.355 24.720 11.803 9 HA PRO 3 HA PRO 3 26.470 24.125 13.634 10 HB2 PRO 3 1HB PRO 3 24.699 22.880 11.995 11 HB3 PRO 3 2HB PRO 3 24.585 24.595 12.407 12 HG2 PRO 3 1HG PRO 3 25.706 23.308 9.948 13 HG3 PRO 3 2HG PRO 3 24.669 24.739 10.088 14 HD2 PRO 3 1HD PRO 3 27.344 24.910 9.708 15 HD3 PRO 3 2HD PRO 3 26.432 26.119 10.635 16 H PHE 4 H PHE 4 26.012 21.938 14.287 17 HA PHE 4 HA PHE 4 27.736 19.953 12.955 18 HB2 PHE 4 1HB PHE 4 28.204 18.966 15.093 19 HB3 PHE 4 2HB PHE 4 28.501 20.696 15.228 20 HD1 PHE 4 HD1 PHE 4 26.936 22.129 16.465 21 HD2 PHE 4 HD2 PHE 4 26.483 17.899 16.344 22 HE1 PHE 4 HE1 PHE 4 25.414 22.240 18.395 23 HE2 PHE 4 HE2 PHE 4 24.960 18.003 18.273 24 HZ PHE 4 HZ PHE 4 24.424 20.175 19.301 25 H ALA 5 H ALA 5 27.049 17.703 13.169 26 HA ALA 5 HA ALA 5 24.124 17.440 13.417 27 HB1 ALA 5 1HB ALA 5 25.950 16.586 11.249 28 HB2 ALA 5 2HB ALA 5 24.641 15.485 11.679 29 HB3 ALA 5 3HB ALA 5 24.276 17.135 11.175 30 H ASP 6 H ASP 6 23.500 15.036 13.622 31 HA ASP 6 HA ASP 6 24.856 14.010 15.937 32 HB2 ASP 6 1HB ASP 6 22.383 13.336 14.423 33 HB3 ASP 6 2HB ASP 6 23.102 12.066 15.409 34 HA PRO 7 HA PRO 7 27.509 11.010 14.152 35 HB2 PRO 7 1HB PRO 7 27.243 8.905 15.846 36 HB3 PRO 7 2HB PRO 7 28.093 10.391 16.287 37 HG2 PRO 7 1HG PRO 7 25.299 9.541 16.945 38 HG3 PRO 7 2HG PRO 7 26.509 10.311 17.987 39 HD2 PRO 7 1HD PRO 7 24.487 11.695 16.834 40 HD3 PRO 7 2HD PRO 7 26.080 12.413 17.145 41 H ASN 8 H ASN 8 27.616 8.663 13.420 42 HA ASN 8 HA ASN 8 25.060 7.444 12.791 43 HB2 ASN 8 1HB ASN 8 25.738 9.207 10.983 44 HB3 ASN 8 2HB ASN 8 26.887 7.974 10.472 45 HD21 ASN 8 2HD2 ASN 8 25.858 7.695 8.503 46 HD22 ASN 8 1HD2 ASN 8 24.340 6.881 8.363 47 H SER 9 H SER 9 25.260 5.286 11.962 48 HA SER 9 HA SER 9 27.685 3.988 12.910 49 HB2 SER 9 1HB SER 9 25.232 3.236 13.372 50 HB3 SER 9 2HB SER 9 25.324 2.528 11.760 51 HG SER 9 HG SER 9 26.872 1.156 12.433 52 H LEU 10 H LEU 10 29.180 4.510 11.303 53 HA LEU 10 HA LEU 10 28.885 2.943 8.851 54 HB2 LEU 10 1HB LEU 10 29.403 4.679 7.401 55 HB3 LEU 10 2HB LEU 10 28.258 5.403 8.527 56 HG LEU 10 HG LEU 10 31.252 5.746 8.666 57 HD11 LEU 10 1HD1 LEU 10 29.255 7.813 7.802 58 HD12 LEU 10 2HD1 LEU 10 30.061 6.748 6.650 59 HD13 LEU 10 3HD1 LEU 10 31.012 7.844 7.652 60 HD21 LEU 10 3HD2 LEU 10 30.338 6.036 10.827 61 HD22 LEU 10 1HD2 LEU 10 28.953 6.931 10.202 62 HD23 LEU 10 2HD2 LEU 10 30.560 7.657 10.168 63 H ALA 11 H ALA 11 30.969 2.673 7.700 64 HA ALA 11 HA ALA 11 33.089 2.210 9.630 65 HB1 ALA 11 1HB ALA 11 32.207 0.894 7.323 66 HB2 ALA 11 2HB ALA 11 33.810 1.522 6.935 67 HB3 ALA 11 3HB ALA 11 33.589 0.476 8.337 68 H LEU 12 H LEU 12 34.113 4.094 10.104 69 HA LEU 12 HA LEU 12 34.624 6.218 8.386 70 HB2 LEU 12 1HB LEU 12 35.793 5.257 10.942 71 HB3 LEU 12 2HB LEU 12 36.677 6.490 10.044 72 HG LEU 12 HG LEU 12 34.574 7.879 10.103 73 HD11 LEU 12 1HD1 LEU 12 32.984 6.101 10.562 74 HD12 LEU 12 2HD1 LEU 12 32.929 7.325 11.829 75 HD13 LEU 12 3HD1 LEU 12 33.752 5.793 12.119 76 HD21 LEU 12 3HD2 LEU 12 36.579 7.465 12.040 77 HD22 LEU 12 1HD2 LEU 12 35.062 7.694 12.912 78 HD23 LEU 12 2HD2 LEU 12 35.613 8.916 11.766 79 H ALA 13 H ALA 13 36.347 6.809 7.099 80 HA ALA 13 HA ALA 13 37.899 4.614 6.020 81 HB1 ALA 13 1HB ALA 13 36.767 6.813 4.883 82 HB2 ALA 13 2HB ALA 13 38.458 7.303 5.002 83 HB3 ALA 13 3HB ALA 13 38.026 5.826 4.139 84 H ASN 14 H ASN 14 40.253 5.479 5.293 85 HA ASN 14 HA ASN 14 41.651 5.874 7.809 86 HB2 ASN 14 1HB ASN 14 42.454 4.114 6.333 87 HB3 ASN 14 2HB ASN 14 42.672 5.273 5.025 88 HD21 ASN 14 2HD2 ASN 14 43.903 4.080 8.036 89 HD22 ASN 14 1HD2 ASN 14 45.434 4.878 7.963 90 H VAL 15 H VAL 15 43.221 7.496 8.154 91 HA VAL 15 HA VAL 15 42.522 10.038 7.001 92 HB VAL 15 HB VAL 15 43.060 9.916 9.369 93 HG11 VAL 15 1HG1 VAL 15 45.939 9.609 9.094 94 HG12 VAL 15 2HG1 VAL 15 44.819 8.835 10.217 95 HG13 VAL 15 3HG1 VAL 15 45.049 8.169 8.600 96 HG21 VAL 15 3HG2 VAL 15 45.052 11.484 7.737 97 HG22 VAL 15 1HG2 VAL 15 43.475 12.027 8.309 98 HG23 VAL 15 2HG2 VAL 15 44.774 11.723 9.462 99 HA PRO 16 HA PRO 16 45.510 9.961 3.740 100 HB2 PRO 16 1HB PRO 16 45.406 12.600 3.112 101 HB3 PRO 16 2HB PRO 16 44.135 11.455 2.666 102 HG2 PRO 16 1HG PRO 16 44.230 13.386 4.952 103 HG3 PRO 16 2HG PRO 16 42.883 13.007 3.863 104 HD2 PRO 16 1HD PRO 16 43.077 11.969 6.356 105 HD3 PRO 16 2HD PRO 16 42.332 11.085 5.009 106 H LEU 17 H LEU 17 45.697 12.671 6.053 107 HA LEU 17 HA LEU 17 48.503 12.118 6.507 108 HB2 LEU 17 1HB LEU 17 47.532 14.657 5.227 109 HB3 LEU 17 2HB LEU 17 49.065 14.562 6.091 110 HG LEU 17 HG LEU 17 48.340 12.948 3.646 111 HD11 LEU 17 1HD1 LEU 17 49.511 14.435 2.348 112 HD12 LEU 17 2HD1 LEU 17 50.434 15.069 3.710 113 HD13 LEU 17 3HD1 LEU 17 48.744 15.526 3.502 114 HD21 LEU 17 3HD2 LEU 17 50.719 13.033 5.449 115 HD22 LEU 17 1HD2 LEU 17 50.931 12.675 3.735 116 HD23 LEU 17 2HD2 LEU 17 49.901 11.645 4.731 117 H SER 18 H SER 18 49.268 12.933 8.447 118 HA SER 18 HA SER 18 47.312 14.394 10.096 119 HB2 SER 18 1HB SER 18 49.204 12.433 11.342 120 HB3 SER 18 2HB SER 18 47.633 12.989 11.917 121 HG SER 18 HG SER 18 47.424 10.897 11.144 122 H ARG 19 H ARG 19 48.438 15.301 12.128 123 HA ARG 19 HA ARG 19 51.195 16.112 11.638 124 HB2 ARG 19 1HB ARG 19 48.854 17.866 11.356 125 HB3 ARG 19 2HB ARG 19 50.115 18.508 12.400 126 HG2 ARG 19 1HG ARG 19 51.656 18.632 10.690 127 HG3 ARG 19 2HG ARG 19 50.826 17.418 9.715 128 HD2 ARG 19 1HD ARG 19 49.479 18.936 8.757 129 HD3 ARG 19 2HD ARG 19 49.230 19.808 10.269 130 HE ARG 19 HE ARG 19 51.038 20.496 8.201 131 HH11 ARG 19 1HH1 ARG 19 50.711 20.459 11.667 132 HH12 ARG 19 2HH1 ARG 19 51.801 21.783 11.915 133 HH21 ARG 19 1HH2 ARG 19 52.475 22.239 8.514 134 HH22 ARG 19 2HH2 ARG 19 52.804 22.795 10.120 135 H SER 20 H SER 20 52.153 15.511 13.466 136 HA SER 20 HA SER 20 51.569 16.730 15.940 137 HB2 SER 20 1HB SER 20 51.043 14.426 17.084 138 HB3 SER 20 2HB SER 20 49.742 15.353 16.338 139 HG SER 20 HG SER 20 50.963 12.987 15.493 140 H LYS 21 H LYS 21 53.519 16.938 16.790 141 HA LYS 21 HA LYS 21 55.248 14.677 17.169 142 HB2 LYS 21 1HB LYS 21 55.594 15.698 14.754 143 HB3 LYS 21 2HB LYS 21 56.536 16.893 15.636 144 HG2 LYS 21 1HG LYS 21 58.152 15.371 15.076 145 HG3 LYS 21 2HG LYS 21 57.688 14.798 16.680 146 HD2 LYS 21 1HD LYS 21 56.219 13.132 15.670 147 HD3 LYS 21 2HD LYS 21 56.641 13.721 14.060 148 HE2 LYS 21 1HE LYS 21 57.927 11.747 14.522 149 HE3 LYS 21 2HE LYS 21 59.008 13.140 14.527 150 HZ1 LYS 21 3HZ LYS 21 58.341 11.330 16.661 151 HZ2 LYS 21 1HZ LYS 21 58.251 12.958 17.113 152 HZ3 LYS 21 2HZ LYS 21 59.689 12.335 16.477 153 H ARG 22 H ARG 22 56.548 14.964 18.902 154 HA ARG 22 HA ARG 22 56.800 17.694 19.979 155 HB2 ARG 22 1HB ARG 22 55.883 15.188 21.297 156 HB3 ARG 22 2HB ARG 22 56.872 16.290 22.245 157 HG2 ARG 22 1HG ARG 22 55.154 18.072 21.360 158 HG3 ARG 22 2HG ARG 22 54.126 16.649 21.169 159 HD2 ARG 22 1HD ARG 22 53.658 17.471 23.322 160 HD3 ARG 22 2HD ARG 22 54.720 16.086 23.573 161 HE ARG 22 HE ARG 22 56.365 18.295 23.439 162 HH11 ARG 22 1HH1 ARG 22 53.733 17.202 25.439 163 HH12 ARG 22 2HH1 ARG 22 54.296 18.026 26.856 164 HH21 ARG 22 1HH2 ARG 22 57.116 19.384 25.297 165 HH22 ARG 22 2HH2 ARG 22 56.220 19.267 26.774 166 HA PRO 23 HA PRO 23 60.976 15.692 19.440 167 HB2 PRO 23 1HB PRO 23 62.099 17.808 18.162 168 HB3 PRO 23 2HB PRO 23 61.218 16.531 17.315 169 HG2 PRO 23 1HG PRO 23 60.282 19.252 18.141 170 HG3 PRO 23 2HG PRO 23 60.011 18.391 16.614 171 HD2 PRO 23 1HD PRO 23 58.139 18.519 18.567 172 HD3 PRO 23 2HD PRO 23 58.303 17.116 17.491 173 H ASP 24 H ASP 24 61.837 15.766 21.435 174 HA ASP 24 HA ASP 24 62.720 18.383 22.440 175 HB2 ASP 24 1HB ASP 24 61.268 16.227 23.968 176 HB3 ASP 24 2HB ASP 24 62.238 17.456 24.776 177 H PHE 25 H PHE 25 64.523 17.129 21.089 178 HA PHE 25 HA PHE 25 66.547 16.473 22.952 179 HB2 PHE 25 1HB PHE 25 66.932 14.113 22.069 180 HB3 PHE 25 2HB PHE 25 65.577 14.324 23.173 181 HD1 PHE 25 HD2 PHE 25 63.274 14.263 22.337 182 HD2 PHE 25 HD1 PHE 25 66.597 13.496 19.789 183 HE1 PHE 25 HE2 PHE 25 61.764 13.257 20.675 184 HE2 PHE 25 HE1 PHE 25 65.092 12.490 18.123 185 HZ PHE 25 HZ PHE 25 62.672 12.368 18.565 186 H GLY 26 H GLY 26 68.571 16.589 22.043 187 HA2 GLY 26 1HA GLY 26 69.312 16.122 19.424 188 HA3 GLY 26 2HA GLY 26 68.745 17.785 19.460 189 H GLN 27 H GLN 27 71.129 15.542 20.749 190 HA GLN 27 HA GLN 27 72.900 17.836 21.238 191 HB2 GLN 27 1HB GLN 27 73.829 16.477 23.191 192 HB3 GLN 27 2HB GLN 27 72.267 17.249 23.426 193 HG2 GLN 27 1HG GLN 27 71.124 15.263 23.412 194 HG3 GLN 27 2HG GLN 27 72.353 14.439 22.454 195 HE21 GLN 27 2HE2 GLN 27 70.970 14.229 25.269 196 HE22 GLN 27 1HE2 GLN 27 72.289 13.764 26.284 197 H ARG 28 H ARG 28 74.094 17.521 19.393 198 HA ARG 28 HA ARG 28 75.709 15.064 19.343 199 HB2 ARG 28 1HB ARG 28 74.406 16.442 16.992 200 HB3 ARG 28 2HB ARG 28 75.664 15.224 16.831 201 HG2 ARG 28 1HG ARG 28 74.276 13.539 17.751 202 HG3 ARG 28 2HG ARG 28 73.073 14.722 18.267 203 HD2 ARG 28 1HD ARG 28 73.009 15.294 15.704 204 HD3 ARG 28 2HD ARG 28 73.655 13.661 15.542 205 HE ARG 28 HE ARG 28 70.979 14.391 16.227 206 HH11 ARG 28 1HH1 ARG 28 73.435 11.961 16.662 207 HH12 ARG 28 2HH1 ARG 28 72.303 10.686 16.970 208 HH21 ARG 28 1HH2 ARG 28 69.479 12.721 16.631 209 HH22 ARG 28 2HH2 ARG 28 70.053 11.119 16.951 210 H ARG 29 H ARG 29 77.652 15.389 17.806 211 HA ARG 29 HA ARG 29 79.108 17.655 18.770 212 HB2 ARG 29 1HB ARG 29 79.921 15.660 16.649 213 HB3 ARG 29 2HB ARG 29 80.988 16.734 17.545 214 HG2 ARG 29 1HG ARG 29 79.312 14.605 18.848 215 HG3 ARG 29 2HG ARG 29 80.971 14.348 18.304 216 HD2 ARG 29 1HD ARG 29 81.811 15.961 19.830 217 HD3 ARG 29 2HD ARG 29 80.191 16.545 20.205 218 HE ARG 29 HE ARG 29 80.335 13.831 20.875 219 HH11 ARG 29 1HH1 ARG 29 81.643 16.894 21.890 220 HH12 ARG 29 2HH1 ARG 29 81.844 16.409 23.541 221 HH21 ARG 29 1HH2 ARG 29 80.595 13.180 23.046 222 HH22 ARG 29 2HH2 ARG 29 81.248 14.296 24.197 223 H ILE 30 H ILE 30 78.339 19.559 17.975 224 HA ILE 30 HA ILE 30 78.486 19.909 15.052 225 HB ILE 30 HB ILE 30 76.599 21.372 16.899 226 HG12 ILE 30 1HG1 ILE 30 75.994 18.990 16.677 227 HG13 ILE 30 2HG1 ILE 30 74.817 20.037 15.891 228 HG21 ILE 30 1HG2 ILE 30 77.006 22.787 15.097 229 HG22 ILE 30 2HG2 ILE 30 77.114 21.453 13.950 230 HG23 ILE 30 3HG2 ILE 30 75.548 21.921 14.612 231 HD11 ILE 30 3HD1 ILE 30 75.735 19.514 13.729 232 HD12 ILE 30 1HD1 ILE 30 77.021 18.562 14.472 233 HD13 ILE 30 2HD1 ILE 30 75.345 18.023 14.587 234 H ARG 31 H ARG 31 79.488 21.728 14.286 235 HA ARG 31 HA ARG 31 81.038 23.240 16.255 236 HB2 ARG 31 1HB ARG 31 81.332 23.226 13.248 237 HB3 ARG 31 2HB ARG 31 82.469 23.879 14.419 238 HG2 ARG 31 1HG ARG 31 82.773 21.570 15.306 239 HG3 ARG 31 2HG ARG 31 81.776 20.987 13.971 240 HD2 ARG 31 1HD ARG 31 84.149 20.776 13.451 241 HD3 ARG 31 2HD ARG 31 83.363 21.926 12.370 242 HE ARG 31 HE ARG 31 84.496 23.257 14.600 243 HH11 ARG 31 1HH1 ARG 31 85.338 21.707 11.599 244 HH12 ARG 31 2HH1 ARG 31 86.780 22.641 11.370 245 HH21 ARG 31 1HH2 ARG 31 86.391 24.492 14.310 246 HH22 ARG 31 2HH2 ARG 31 87.378 24.224 12.914 247 H ARG 32 H ARG 32 81.584 25.548 14.927 248 HA ARG 32 HA ARG 32 79.008 26.921 15.070 249 HB2 ARG 32 1HB ARG 32 81.846 27.704 15.464 250 HB3 ARG 32 2HB ARG 32 80.759 28.938 14.841 251 HG2 ARG 32 1HG ARG 32 79.346 28.757 16.761 252 HG3 ARG 32 2HG ARG 32 80.246 27.358 17.349 253 HD2 ARG 32 1HD ARG 32 80.971 29.244 18.605 254 HD3 ARG 32 2HD ARG 32 82.268 28.832 17.483 255 HE ARG 32 HE ARG 32 80.535 30.797 16.383 256 HH11 ARG 32 1HH1 ARG 32 83.129 30.345 18.661 257 HH12 ARG 32 2HH1 ARG 32 83.708 31.972 18.523 258 HH21 ARG 32 1HH2 ARG 32 81.288 32.942 16.193 259 HH22 ARG 32 2HH2 ARG 32 82.660 33.449 17.120 260 HA PRO 33 HA PRO 33 78.682 27.815 10.788 261 HB2 PRO 33 1HB PRO 33 77.790 30.380 10.789 262 HB3 PRO 33 2HB PRO 33 76.783 29.012 11.278 263 HG2 PRO 33 1HG PRO 33 78.290 30.959 12.980 264 HG3 PRO 33 2HG PRO 33 76.650 30.319 13.196 265 HD2 PRO 33 1HD PRO 33 78.777 29.371 14.578 266 HD3 PRO 33 2HD PRO 33 77.405 28.344 14.114 267 H PHE 34 H PHE 34 79.246 29.575 9.101 268 HA PHE 34 HA PHE 34 82.065 30.136 9.387 269 HB2 PHE 34 1HB PHE 34 80.293 30.870 7.056 270 HB3 PHE 34 2HB PHE 34 82.041 30.658 7.057 271 HD1 PHE 34 HD1 PHE 34 82.006 28.100 8.759 272 HD2 PHE 34 HD2 PHE 34 79.827 29.322 5.313 273 HE1 PHE 34 HE1 PHE 34 81.720 25.744 8.108 274 HE2 PHE 34 HE2 PHE 34 79.537 26.968 4.657 275 HZ PHE 34 HZ PHE 34 80.483 25.176 6.056 276 H THR 35 H THR 35 82.938 32.278 8.713 277 HA THR 35 HA THR 35 82.154 34.307 10.400 278 HB THR 35 HB THR 35 83.327 35.157 7.806 279 HG1 THR 35 HG1 THR 35 84.873 33.640 9.644 280 HG21 THR 35 3HG2 THR 35 83.572 36.866 9.279 281 HG22 THR 35 1HG2 THR 35 85.022 35.970 9.727 282 HG23 THR 35 2HG2 THR 35 83.550 35.802 10.684 283 H VAL 36 H VAL 36 81.196 36.398 9.971 284 HA VAL 36 HA VAL 36 78.651 36.321 8.935 285 HB VAL 36 HB VAL 36 79.279 38.124 10.379 286 HG11 VAL 36 1HG1 VAL 36 80.863 39.834 9.801 287 HG12 VAL 36 2HG1 VAL 36 81.641 38.261 9.615 288 HG13 VAL 36 3HG1 VAL 36 81.086 39.145 8.193 289 HG21 VAL 36 3HG2 VAL 36 77.794 38.452 8.088 290 HG22 VAL 36 1HG2 VAL 36 77.855 39.573 9.447 291 HG23 VAL 36 2HG2 VAL 36 78.895 39.829 8.046 292 H ALA 37 H ALA 37 81.635 37.301 7.305 293 HA ALA 37 HA ALA 37 80.352 38.063 4.873 294 HB1 ALA 37 1HB ALA 37 83.099 37.307 4.490 295 HB2 ALA 37 2HB ALA 37 82.353 38.903 4.405 296 HB3 ALA 37 3HB ALA 37 82.923 38.277 5.952 297 H GLU 38 H GLU 38 82.102 35.161 5.933 298 HA GLU 38 HA GLU 38 82.032 33.759 3.520 299 HB2 GLU 38 1HB GLU 38 82.270 32.975 6.391 300 HB3 GLU 38 2HB GLU 38 81.990 31.715 5.198 301 HG2 GLU 38 1HG GLU 38 84.386 32.134 5.790 302 HG3 GLU 38 2HG GLU 38 84.006 32.198 4.070 303 H VAL 39 H VAL 39 79.761 33.637 6.259 304 HA VAL 39 HA VAL 39 77.960 31.835 5.018 305 HB VAL 39 HB VAL 39 77.765 33.668 7.380 306 HG11 VAL 39 1HG1 VAL 39 75.582 33.878 6.494 307 HG12 VAL 39 2HG1 VAL 39 75.508 32.165 6.077 308 HG13 VAL 39 3HG1 VAL 39 75.478 32.664 7.769 309 HG21 VAL 39 3HG2 VAL 39 78.820 31.732 8.027 310 HG22 VAL 39 1HG2 VAL 39 77.138 31.313 8.350 311 HG23 VAL 39 2HG2 VAL 39 77.925 30.732 6.883 312 H GLU 40 H GLU 40 78.300 35.312 4.980 313 HA GLU 40 HA GLU 40 75.755 36.005 4.026 314 HB2 GLU 40 1HB GLU 40 76.764 37.949 4.540 315 HB3 GLU 40 2HB GLU 40 78.371 37.289 4.266 316 HG2 GLU 40 1HG GLU 40 78.315 37.793 1.983 317 HG3 GLU 40 2HG GLU 40 76.568 38.033 1.991 318 H LEU 41 H LEU 41 78.779 35.432 2.232 319 HA LEU 41 HA LEU 41 77.646 35.726 -0.332 320 HB2 LEU 41 1HB LEU 41 80.016 33.995 0.310 321 HB3 LEU 41 2HB LEU 41 79.676 34.868 -1.183 322 HG LEU 41 HG LEU 41 79.943 36.614 1.143 323 HD11 LEU 41 1HD1 LEU 41 82.506 35.411 0.211 324 HD12 LEU 41 2HD1 LEU 41 81.585 34.609 1.482 325 HD13 LEU 41 3HD1 LEU 41 82.141 36.267 1.709 326 HD21 LEU 41 3HD2 LEU 41 81.649 37.610 -0.531 327 HD22 LEU 41 1HD2 LEU 41 79.928 37.683 -0.911 328 HD23 LEU 41 2HD2 LEU 41 80.947 36.461 -1.672 329 H LEU 42 H LEU 42 78.334 32.836 1.618 330 HA LEU 42 HA LEU 42 77.537 30.894 -0.196 331 HB2 LEU 42 1HB LEU 42 78.453 29.875 1.589 332 HB3 LEU 42 2HB LEU 42 77.839 31.079 2.720 333 HG LEU 42 HG LEU 42 75.653 29.972 2.706 334 HD11 LEU 42 1HD1 LEU 42 75.096 28.664 1.006 335 HD12 LEU 42 2HD1 LEU 42 76.247 27.467 1.598 336 HD13 LEU 42 3HD1 LEU 42 76.754 28.662 0.405 337 HD21 LEU 42 3HD2 LEU 42 77.565 27.760 3.234 338 HD22 LEU 42 1HD2 LEU 42 76.244 28.378 4.226 339 HD23 LEU 42 2HD2 LEU 42 77.765 29.266 4.131 340 H VAL 43 H VAL 43 75.566 32.441 2.341 341 HA VAL 43 HA VAL 43 73.150 31.201 1.801 342 HB VAL 43 HB VAL 43 73.697 33.991 2.807 343 HG11 VAL 43 1HG1 VAL 43 71.497 34.020 1.841 344 HG12 VAL 43 2HG1 VAL 43 71.077 32.506 2.645 345 HG13 VAL 43 3HG1 VAL 43 71.342 33.968 3.596 346 HG21 VAL 43 3HG2 VAL 43 74.252 31.705 4.048 347 HG22 VAL 43 1HG2 VAL 43 73.666 33.126 4.912 348 HG23 VAL 43 2HG2 VAL 43 72.548 31.831 4.485 349 H GLU 44 H GLU 44 74.431 34.219 0.424 350 HA GLU 44 HA GLU 44 72.212 34.749 -1.237 351 HB2 GLU 44 1HB GLU 44 73.940 36.423 -0.605 352 HB3 GLU 44 2HB GLU 44 75.085 35.594 -1.651 353 HG2 GLU 44 1HG GLU 44 73.586 36.043 -3.569 354 HG3 GLU 44 2HG GLU 44 72.552 36.981 -2.493 355 H ALA 45 H ALA 45 74.883 32.587 -1.532 356 HA ALA 45 HA ALA 45 74.779 32.290 -4.377 357 HB1 ALA 45 1HB ALA 45 76.690 31.210 -4.055 358 HB2 ALA 45 2HB ALA 45 76.495 31.466 -2.320 359 HB3 ALA 45 3HB ALA 45 75.886 29.989 -3.067 360 H VAL 46 H VAL 46 73.656 30.300 -1.645 361 HA VAL 46 HA VAL 46 72.341 28.407 -3.351 362 HB VAL 46 HB VAL 46 73.139 27.613 -1.238 363 HG11 VAL 46 1HG1 VAL 46 71.424 29.779 -0.043 364 HG12 VAL 46 2HG1 VAL 46 72.107 28.450 0.895 365 HG13 VAL 46 3HG1 VAL 46 73.173 29.594 0.078 366 HG21 VAL 46 3HG2 VAL 46 70.211 27.684 -0.706 367 HG22 VAL 46 1HG2 VAL 46 70.782 26.949 -2.204 368 HG23 VAL 46 2HG2 VAL 46 71.336 26.327 -0.649 369 H GLU 47 H GLU 47 71.420 31.307 -1.630 370 HA GLU 47 HA GLU 47 68.605 30.915 -1.817 371 HB2 GLU 47 1HB GLU 47 69.630 32.421 -0.159 372 HB3 GLU 47 2HB GLU 47 70.175 33.474 -1.456 373 HG2 GLU 47 1HG GLU 47 67.276 32.846 -1.235 374 HG3 GLU 47 2HG GLU 47 67.993 34.001 -0.113 375 H HIS 48 H HIS 48 70.994 32.628 -3.780 376 HA HIS 48 HA HIS 48 69.282 33.937 -5.538 377 HB2 HIS 48 1HB HIS 48 71.717 34.319 -5.445 378 HB3 HIS 48 2HB HIS 48 71.987 32.732 -6.159 379 HD1 HIS 48 HD1 HIS 48 70.606 36.134 -7.016 380 HD2 HIS 48 HD2 HIS 48 71.791 32.628 -8.903 381 HE1 HIS 48 HE1 HIS 48 70.620 36.666 -9.474 382 H LEU 49 H LEU 49 70.431 30.610 -5.543 383 HA LEU 49 HA LEU 49 68.853 30.070 -7.959 384 HB2 LEU 49 1HB LEU 49 70.766 28.188 -6.607 385 HB3 LEU 49 2HB LEU 49 70.125 28.094 -8.246 386 HG LEU 49 HG LEU 49 71.754 30.479 -7.600 387 HD11 LEU 49 1HD1 LEU 49 73.784 28.955 -8.243 388 HD12 LEU 49 2HD1 LEU 49 72.795 27.688 -7.517 389 HD13 LEU 49 3HD1 LEU 49 73.262 29.096 -6.564 390 HD21 LEU 49 3HD2 LEU 49 72.052 30.539 -9.827 391 HD22 LEU 49 1HD2 LEU 49 70.660 29.456 -9.857 392 HD23 LEU 49 2HD2 LEU 49 72.293 28.796 -9.948 393 H GLY 50 H GLY 50 68.379 30.108 -4.751 394 HA2 GLY 50 1HA GLY 50 66.944 29.048 -3.303 395 HA3 GLY 50 2HA GLY 50 65.988 28.725 -4.742 396 H THR 51 H THR 51 65.841 26.684 -5.493 397 HA THR 51 HA THR 51 67.350 24.630 -4.022 398 HB THR 51 HB THR 51 65.530 23.072 -4.862 399 HG1 THR 51 HG1 THR 51 63.857 23.902 -5.914 400 HG21 THR 51 3HG2 THR 51 64.538 25.313 -3.105 401 HG22 THR 51 1HG2 THR 51 65.652 24.063 -2.554 402 HG23 THR 51 2HG2 THR 51 64.030 23.624 -3.088 403 H GLY 52 H GLY 52 68.492 26.021 -6.253 404 HA2 GLY 52 1HA GLY 52 68.257 24.519 -8.649 405 HA3 GLY 52 2HA GLY 52 69.563 25.625 -8.248 406 H ARG 53 H ARG 53 71.504 24.733 -8.151 407 HA ARG 53 HA ARG 53 71.736 21.954 -7.220 408 HB2 ARG 53 1HB ARG 53 72.928 23.188 -9.692 409 HB3 ARG 53 2HB ARG 53 73.644 21.771 -8.937 410 HG2 ARG 53 1HG ARG 53 71.497 20.583 -9.206 411 HG3 ARG 53 2HG ARG 53 70.857 21.994 -10.051 412 HD2 ARG 53 1HD ARG 53 73.391 20.695 -10.970 413 HD3 ARG 53 2HD ARG 53 71.827 20.016 -11.421 414 HE ARG 53 HE ARG 53 73.054 22.339 -12.509 415 HH11 ARG 53 1HH1 ARG 53 69.970 20.957 -11.673 416 HH12 ARG 53 2HH1 ARG 53 69.091 21.878 -12.847 417 HH21 ARG 53 1HH2 ARG 53 71.908 23.558 -14.060 418 HH22 ARG 53 2HH2 ARG 53 70.195 23.357 -14.205 419 H TRP 54 H TRP 54 73.507 21.488 -5.971 420 HA TRP 54 HA TRP 54 74.655 23.472 -4.430 421 HB2 TRP 54 1HB TRP 54 76.500 21.634 -4.067 422 HB3 TRP 54 2HB TRP 54 74.857 21.371 -3.489 423 HD1 TRP 54 HD1 TRP 54 73.461 19.435 -4.606 424 HE1 TRP 54 HE1 TRP 54 74.073 17.534 -6.231 425 HE3 TRP 54 HE3 TRP 54 78.057 21.098 -6.106 426 HZ2 TRP 54 HZ2 TRP 54 76.220 16.833 -7.923 427 HZ3 TRP 54 HZ3 TRP 54 79.325 19.753 -7.730 428 HH2 TRP 54 HH2 TRP 54 78.425 17.665 -8.618 429 H ARG 55 H ARG 55 75.758 22.109 -7.473 430 HA ARG 55 HA ARG 55 78.339 23.299 -7.434 431 HB2 ARG 55 1HB ARG 55 78.583 22.511 -9.632 432 HB3 ARG 55 2HB ARG 55 77.524 21.336 -8.865 433 HG2 ARG 55 1HG ARG 55 75.628 22.838 -9.853 434 HG3 ARG 55 2HG ARG 55 76.905 23.371 -10.948 435 HD2 ARG 55 1HD ARG 55 75.990 20.532 -10.504 436 HD3 ARG 55 2HD ARG 55 75.666 21.526 -11.924 437 HE ARG 55 HE ARG 55 78.452 21.316 -11.478 438 HH11 ARG 55 1HH1 ARG 55 75.714 19.496 -12.623 439 HH12 ARG 55 2HH1 ARG 55 76.658 18.482 -13.664 440 HH21 ARG 55 1HH2 ARG 55 79.705 19.989 -12.845 441 HH22 ARG 55 2HH2 ARG 55 78.928 18.763 -13.789 442 H ASP 56 H ASP 56 75.175 24.396 -8.368 443 HA ASP 56 HA ASP 56 76.041 26.619 -9.935 444 HB2 ASP 56 1HB ASP 56 73.397 26.090 -8.563 445 HB3 ASP 56 2HB ASP 56 73.690 27.381 -9.724 446 H VAL 57 H VAL 57 75.031 26.204 -6.567 447 HA VAL 57 HA VAL 57 75.204 28.958 -5.886 448 HB VAL 57 HB VAL 57 74.629 28.355 -3.761 449 HG11 VAL 57 1HG1 VAL 57 73.051 26.616 -3.825 450 HG12 VAL 57 2HG1 VAL 57 73.143 27.207 -5.485 451 HG13 VAL 57 3HG1 VAL 57 73.968 25.715 -5.033 452 HG21 VAL 57 3HG2 VAL 57 75.331 26.132 -2.748 453 HG22 VAL 57 1HG2 VAL 57 76.394 25.952 -4.144 454 HG23 VAL 57 2HG2 VAL 57 76.613 27.308 -3.037 455 H LYS 58 H LYS 58 77.494 26.325 -5.968 456 HA LYS 58 HA LYS 58 79.506 27.620 -4.406 457 HB2 LYS 58 1HB LYS 58 79.573 25.237 -4.532 458 HB3 LYS 58 2HB LYS 58 79.567 25.265 -6.291 459 HG2 LYS 58 1HG LYS 58 81.769 24.716 -5.337 460 HG3 LYS 58 2HG LYS 58 81.795 26.172 -6.336 461 HD2 LYS 58 1HD LYS 58 81.945 27.583 -4.464 462 HD3 LYS 58 2HD LYS 58 81.449 26.303 -3.354 463 HE2 LYS 58 1HE LYS 58 83.820 26.698 -3.126 464 HE3 LYS 58 2HE LYS 58 83.554 25.110 -3.842 465 HZ1 LYS 58 3HZ LYS 58 84.738 27.500 -5.013 466 HZ2 LYS 58 1HZ LYS 58 83.776 26.556 -6.036 467 HZ3 LYS 58 2HZ LYS 58 85.115 25.870 -5.264 468 H PHE 59 H PHE 59 78.977 27.171 -7.887 469 HA PHE 59 HA PHE 59 81.310 28.629 -8.648 470 HB2 PHE 59 1HB PHE 59 79.720 26.894 -9.958 471 HB3 PHE 59 2HB PHE 59 79.054 28.408 -10.560 472 HD1 PHE 59 HD1 PHE 59 80.771 30.120 -11.484 473 HD2 PHE 59 HD2 PHE 59 81.567 25.969 -10.983 474 HE1 PHE 59 HE1 PHE 59 82.604 30.278 -13.117 475 HE2 PHE 59 HE2 PHE 59 83.402 26.121 -12.615 476 HZ PHE 59 HZ PHE 59 83.924 28.278 -13.683 477 H ARG 60 H ARG 60 77.845 29.397 -8.548 478 HA ARG 60 HA ARG 60 77.924 31.954 -9.610 479 HB2 ARG 60 1HB ARG 60 75.816 30.882 -9.191 480 HB3 ARG 60 2HB ARG 60 76.144 30.795 -7.465 481 HG2 ARG 60 1HG ARG 60 76.113 33.479 -8.723 482 HG3 ARG 60 2HG ARG 60 74.572 32.645 -8.514 483 HD2 ARG 60 1HD ARG 60 74.615 32.856 -6.270 484 HD3 ARG 60 2HD ARG 60 76.356 32.597 -6.177 485 HE ARG 60 HE ARG 60 75.562 35.147 -7.278 486 HH11 ARG 60 1HH1 ARG 60 76.404 33.357 -4.413 487 HH12 ARG 60 2HH1 ARG 60 76.864 34.763 -3.512 488 HH21 ARG 60 1HH2 ARG 60 76.164 37.006 -6.101 489 HH22 ARG 60 2HH2 ARG 60 76.726 36.838 -4.472 490 H ALA 61 H ALA 61 78.530 30.887 -6.297 491 HA ALA 61 HA ALA 61 78.831 33.524 -5.240 492 HB1 ALA 61 1HB ALA 61 80.112 31.992 -3.433 493 HB2 ALA 61 2HB ALA 61 78.358 32.173 -3.498 494 HB3 ALA 61 3HB ALA 61 79.128 30.769 -4.239 495 H PHE 62 H PHE 62 81.317 30.988 -5.206 496 HA PHE 62 HA PHE 62 83.209 32.600 -6.647 497 HB2 PHE 62 1HB PHE 62 83.065 32.829 -3.782 498 HB3 PHE 62 2HB PHE 62 84.605 32.113 -4.245 499 HD1 PHE 62 HD2 PHE 62 85.885 33.334 -6.159 500 HD2 PHE 62 HD1 PHE 62 82.831 35.119 -3.792 501 HE1 PHE 62 HE2 PHE 62 86.748 35.565 -6.735 502 HE2 PHE 62 HE1 PHE 62 83.688 37.353 -4.365 503 HZ PHE 62 HZ PHE 62 85.650 37.578 -5.837 504 H GLU 63 H GLU 63 83.804 30.974 -7.960 505 HA GLU 63 HA GLU 63 84.264 28.308 -6.936 506 HB2 GLU 63 1HB GLU 63 84.515 27.634 -9.194 507 HB3 GLU 63 2HB GLU 63 83.219 28.821 -9.185 508 HG2 GLU 63 1HG GLU 63 84.369 29.616 -10.952 509 HG3 GLU 63 2HG GLU 63 85.257 30.457 -9.683 510 H ASN 64 H ASN 64 86.027 31.003 -6.751 511 HA ASN 64 HA ASN 64 88.598 29.807 -7.455 512 HB2 ASN 64 1HB ASN 64 88.465 32.035 -8.212 513 HB3 ASN 64 2HB ASN 64 87.736 32.594 -6.709 514 HD21 ASN 64 2HD2 ASN 64 90.613 32.091 -8.431 515 HD22 ASN 64 1HD2 ASN 64 91.720 32.554 -7.187 516 H VAL 65 H VAL 65 86.736 30.858 -4.675 517 HA VAL 65 HA VAL 65 88.642 30.882 -2.684 518 HB VAL 65 HB VAL 65 86.850 30.243 -1.113 519 HG11 VAL 65 1HG1 VAL 65 85.186 32.057 -1.912 520 HG12 VAL 65 2HG1 VAL 65 86.850 32.522 -1.553 521 HG13 VAL 65 3HG1 VAL 65 86.336 32.300 -3.226 522 HG21 VAL 65 3HG2 VAL 65 85.688 29.146 -3.536 523 HG22 VAL 65 1HG2 VAL 65 85.312 28.805 -1.847 524 HG23 VAL 65 2HG2 VAL 65 84.557 30.176 -2.659 525 H HIS 66 H HIS 66 89.934 29.414 -1.790 526 HA HIS 66 HA HIS 66 90.195 26.810 -2.764 527 HB2 HIS 66 1HB HIS 66 91.205 28.181 -0.286 528 HB3 HIS 66 2HB HIS 66 91.538 26.476 -0.575 529 HD1 HIS 66 HD1 HIS 66 92.199 26.511 -3.549 530 HD2 HIS 66 HD2 HIS 66 93.585 29.352 -0.854 531 HE1 HIS 66 HE1 HIS 66 94.268 27.480 -4.599 532 H HIS 67 H HIS 67 89.394 27.505 0.630 533 HA HIS 67 HA HIS 67 88.197 24.990 1.065 534 HB2 HIS 67 1HB HIS 67 89.017 27.075 2.665 535 HB3 HIS 67 2HB HIS 67 87.265 27.134 2.835 536 HD1 HIS 67 HD1 HIS 67 89.826 24.305 2.842 537 HD2 HIS 67 HD2 HIS 67 86.535 25.676 4.975 538 HE1 HIS 67 HE1 HIS 67 89.505 22.657 4.714 539 H ARG 68 H ARG 68 85.831 25.375 2.347 540 HA ARG 68 HA ARG 68 83.585 25.527 2.020 541 HB2 ARG 68 1HB ARG 68 84.130 27.684 -0.012 542 HB3 ARG 68 2HB ARG 68 82.700 27.470 0.988 543 HG2 ARG 68 1HG ARG 68 85.439 28.245 1.970 544 HG3 ARG 68 2HG ARG 68 84.060 29.328 1.768 545 HD2 ARG 68 1HD ARG 68 82.806 28.008 3.420 546 HD3 ARG 68 2HD ARG 68 84.211 26.966 3.638 547 HE ARG 68 HE ARG 68 84.733 29.760 4.096 548 HH11 ARG 68 1HH1 ARG 68 83.678 26.758 5.508 549 HH12 ARG 68 2HH1 ARG 68 84.100 27.219 7.124 550 HH21 ARG 68 1HH2 ARG 68 85.292 30.379 6.219 551 HH22 ARG 68 2HH2 ARG 68 85.017 29.279 7.528 552 H THR 69 H THR 69 82.971 23.669 1.075 553 HA THR 69 HA THR 69 83.350 23.357 -1.819 554 HB THR 69 HB THR 69 82.330 21.190 -0.004 555 HG1 THR 69 HG1 THR 69 84.934 22.221 -0.213 556 HG21 THR 69 3HG2 THR 69 82.269 20.903 -2.473 557 HG22 THR 69 1HG2 THR 69 83.298 19.724 -1.661 558 HG23 THR 69 2HG2 THR 69 84.021 21.094 -2.504 559 H TYR 70 H TYR 70 81.620 22.721 -3.166 560 HA TYR 70 HA TYR 70 79.265 24.089 -2.937 561 HB2 TYR 70 1HB TYR 70 78.347 22.194 -4.486 562 HB3 TYR 70 2HB TYR 70 79.646 23.234 -5.058 563 HD1 TYR 70 HD1 TYR 70 78.862 19.884 -3.716 564 HD2 TYR 70 HD2 TYR 70 81.803 22.353 -5.549 565 HE1 TYR 70 HE1 TYR 70 80.250 17.900 -4.145 566 HE2 TYR 70 HE2 TYR 70 83.200 20.375 -5.984 567 HH TYR 70 HH TYR 70 82.735 17.437 -4.509 568 H VAL 71 H VAL 71 79.920 20.776 -1.871 569 HA VAL 71 HA VAL 71 77.290 20.188 -1.018 570 HB VAL 71 HB VAL 71 78.895 18.408 -1.405 571 HG11 VAL 71 1HG1 VAL 71 80.366 19.390 1.037 572 HG12 VAL 71 2HG1 VAL 71 80.802 18.026 0.006 573 HG13 VAL 71 3HG1 VAL 71 80.888 19.672 -0.623 574 HG21 VAL 71 3HG2 VAL 71 78.694 17.755 1.352 575 HG22 VAL 71 1HG2 VAL 71 77.252 18.661 0.896 576 HG23 VAL 71 2HG2 VAL 71 77.689 17.198 0.014 577 H ASP 72 H ASP 72 80.095 21.563 0.629 578 HA ASP 72 HA ASP 72 78.955 21.570 3.225 579 HB2 ASP 72 1HB ASP 72 81.258 23.027 1.954 580 HB3 ASP 72 2HB ASP 72 80.753 23.395 3.601 581 H LEU 73 H LEU 73 78.655 23.660 0.484 582 HA LEU 73 HA LEU 73 77.725 25.962 1.885 583 HB2 LEU 73 1HB LEU 73 77.453 25.112 -0.991 584 HB3 LEU 73 2HB LEU 73 76.917 26.673 -0.372 585 HG LEU 73 HG LEU 73 79.744 25.649 -0.570 586 HD11 LEU 73 1HD1 LEU 73 78.470 26.651 -2.572 587 HD12 LEU 73 2HD1 LEU 73 80.073 27.279 -2.191 588 HD13 LEU 73 3HD1 LEU 73 78.636 28.184 -1.715 589 HD21 LEU 73 3HD2 LEU 73 79.879 28.281 0.209 590 HD22 LEU 73 1HD2 LEU 73 80.171 26.881 1.242 591 HD23 LEU 73 2HD2 LEU 73 78.577 27.637 1.211 592 H LYS 74 H LYS 74 76.030 23.540 -0.111 593 HA LYS 74 HA LYS 74 73.435 24.437 0.450 594 HB2 LYS 74 1HB LYS 74 74.643 21.960 -0.646 595 HB3 LYS 74 2HB LYS 74 73.002 21.823 -0.027 596 HG2 LYS 74 1HG LYS 74 73.813 23.920 -2.018 597 HG3 LYS 74 2HG LYS 74 73.238 22.319 -2.489 598 HD2 LYS 74 1HD LYS 74 71.598 23.851 -0.546 599 HD3 LYS 74 2HD LYS 74 71.601 24.402 -2.223 600 HE2 LYS 74 1HE LYS 74 69.888 22.912 -2.348 601 HE3 LYS 74 2HE LYS 74 71.227 21.810 -2.667 602 HZ1 LYS 74 3HZ LYS 74 70.621 20.646 -0.902 603 HZ2 LYS 74 1HZ LYS 74 69.367 21.731 -0.569 604 HZ3 LYS 74 2HZ LYS 74 70.900 21.981 0.099 605 H ASP 75 H ASP 75 75.426 21.967 2.032 606 HA ASP 75 HA ASP 75 73.474 21.117 3.882 607 HB2 ASP 75 1HB ASP 75 75.668 19.959 3.262 608 HB3 ASP 75 2HB ASP 75 76.447 21.074 4.381 609 H LYS 76 H LYS 76 75.912 23.659 3.987 610 HA LYS 76 HA LYS 76 75.605 24.325 6.715 611 HB2 LYS 76 1HB LYS 76 77.557 25.042 5.465 612 HB3 LYS 76 2HB LYS 76 76.551 25.989 4.375 613 HG2 LYS 76 1HG LYS 76 77.528 27.524 5.864 614 HG3 LYS 76 2HG LYS 76 75.853 27.338 6.391 615 HD2 LYS 76 1HD LYS 76 77.901 25.556 7.602 616 HD3 LYS 76 2HD LYS 76 77.881 27.249 8.099 617 HE2 LYS 76 1HE LYS 76 75.284 26.759 8.320 618 HE3 LYS 76 2HE LYS 76 75.865 25.108 8.532 619 HZ1 LYS 76 3HZ LYS 76 75.902 25.852 10.672 620 HZ2 LYS 76 1HZ LYS 76 76.256 27.451 10.248 621 HZ3 LYS 76 2HZ LYS 76 77.472 26.277 10.209 622 H TRP 77 H TRP 77 74.068 25.544 3.769 623 HA TRP 77 HA TRP 77 72.618 27.640 4.929 624 HB2 TRP 77 1HB TRP 77 72.777 27.568 2.556 625 HB3 TRP 77 2HB TRP 77 72.103 25.942 2.489 626 HD1 TRP 77 HD1 TRP 77 70.911 29.476 3.586 627 HE1 TRP 77 HE1 TRP 77 68.431 29.705 2.939 628 HE3 TRP 77 HE3 TRP 77 70.134 24.794 1.688 629 HZ2 TRP 77 HZ2 TRP 77 66.411 28.110 1.778 630 HZ3 TRP 77 HZ3 TRP 77 67.899 24.225 0.830 631 HH2 TRP 77 HH2 TRP 77 66.077 25.850 0.875 632 H LYS 78 H LYS 78 71.656 24.274 4.294 633 HA LYS 78 HA LYS 78 69.058 24.450 5.320 634 HB2 LYS 78 1HB LYS 78 69.703 22.553 3.992 635 HB3 LYS 78 2HB LYS 78 70.959 22.110 5.140 636 HG2 LYS 78 1HG LYS 78 69.506 21.118 6.561 637 HG3 LYS 78 2HG LYS 78 68.197 22.239 6.181 638 HD2 LYS 78 1HD LYS 78 67.703 21.099 4.150 639 HD3 LYS 78 2HD LYS 78 69.171 20.126 4.267 640 HE2 LYS 78 1HE LYS 78 67.194 18.834 4.891 641 HE3 LYS 78 2HE LYS 78 68.293 19.024 6.257 642 HZ1 LYS 78 3HZ LYS 78 66.339 21.112 6.117 643 HZ2 LYS 78 1HZ LYS 78 66.750 20.104 7.413 644 HZ3 LYS 78 2HZ LYS 78 65.629 19.583 6.258 645 H THR 79 H THR 79 72.110 23.591 6.904 646 HA THR 79 HA THR 79 70.998 22.993 9.430 647 HB THR 79 HB THR 79 73.787 24.054 8.979 648 HG1 THR 79 HG1 THR 79 73.172 21.304 8.913 649 HG21 THR 79 3HG2 THR 79 73.150 23.800 11.308 650 HG22 THR 79 1HG2 THR 79 74.317 22.554 10.870 651 HG23 THR 79 2HG2 THR 79 72.606 22.150 11.006 652 H LEU 80 H LEU 80 72.631 25.931 8.240 653 HA LEU 80 HA LEU 80 72.322 27.464 10.553 654 HB2 LEU 80 1HB LEU 80 73.289 29.093 9.362 655 HB3 LEU 80 2HB LEU 80 73.511 27.834 8.150 656 HG LEU 80 HG LEU 80 71.187 28.674 7.284 657 HD11 LEU 80 1HD1 LEU 80 71.890 30.641 9.305 658 HD12 LEU 80 2HD1 LEU 80 70.358 30.363 8.478 659 HD13 LEU 80 3HD1 LEU 80 71.600 31.359 7.720 660 HD21 LEU 80 3HD2 LEU 80 73.376 30.602 6.729 661 HD22 LEU 80 1HD2 LEU 80 72.313 29.741 5.616 662 HD23 LEU 80 2HD2 LEU 80 73.664 28.897 6.373 663 H VAL 81 H VAL 81 70.098 26.756 7.957 664 HA VAL 81 HA VAL 81 68.212 28.800 8.513 665 HB VAL 81 HB VAL 81 68.068 26.206 7.012 666 HG11 VAL 81 1HG1 VAL 81 65.785 28.020 7.742 667 HG12 VAL 81 2HG1 VAL 81 65.739 26.957 6.334 668 HG13 VAL 81 3HG1 VAL 81 65.909 26.273 7.952 669 HG21 VAL 81 3HG2 VAL 81 68.156 27.492 5.129 670 HG22 VAL 81 1HG2 VAL 81 67.333 28.855 5.889 671 HG23 VAL 81 2HG2 VAL 81 69.035 28.549 6.234 672 H HIS 82 H HIS 82 68.412 25.385 9.471 673 HA HIS 82 HA HIS 82 66.011 25.299 10.927 674 HB2 HIS 82 1HB HIS 82 67.335 23.308 10.195 675 HB3 HIS 82 2HB HIS 82 68.511 23.680 11.452 676 HD1 HIS 82 HD1 HIS 82 64.811 23.949 12.042 677 HD2 HIS 82 HD2 HIS 82 67.972 21.412 12.953 678 HE1 HIS 82 HE1 HIS 82 63.910 22.341 13.753 679 H THR 83 H THR 83 69.314 26.105 11.895 680 HA THR 83 HA THR 83 68.690 26.405 14.666 681 HB THR 83 HB THR 83 71.056 27.452 13.099 682 HG1 THR 83 HG1 THR 83 70.615 25.070 14.595 683 HG21 THR 83 3HG2 THR 83 72.157 27.582 15.307 684 HG22 THR 83 1HG2 THR 83 70.624 27.174 16.076 685 HG23 THR 83 2HG2 THR 83 70.785 28.681 15.175 686 H ALA 84 H ALA 84 68.648 28.504 11.882 687 HA ALA 84 HA ALA 84 68.364 30.910 13.475 688 HB1 ALA 84 1HB ALA 84 69.574 30.790 11.252 689 HB2 ALA 84 2HB ALA 84 67.981 30.681 10.502 690 HB3 ALA 84 3HB ALA 84 68.416 32.107 11.444 691 H SER 85 H SER 85 66.342 28.444 12.547 692 HA SER 85 HA SER 85 63.981 30.190 12.407 693 HB2 SER 85 1HB SER 85 62.847 28.487 11.253 694 HB3 SER 85 2HB SER 85 64.485 28.405 10.603 695 HG SER 85 HG SER 85 64.891 26.666 11.999 696 H ILE 86 H ILE 86 65.454 27.546 14.171 697 HA ILE 86 HA ILE 86 63.336 26.718 15.755 698 HB ILE 86 HB ILE 86 65.097 26.169 17.484 699 HG12 ILE 86 1HG1 ILE 86 66.990 27.165 15.346 700 HG13 ILE 86 2HG1 ILE 86 66.620 28.049 16.823 701 HG21 ILE 86 1HG2 ILE 86 65.173 24.246 16.382 702 HG22 ILE 86 2HG2 ILE 86 64.595 25.066 14.933 703 HG23 ILE 86 3HG2 ILE 86 66.326 24.926 15.235 704 HD11 ILE 86 3HD1 ILE 86 67.979 25.377 16.597 705 HD12 ILE 86 1HD1 ILE 86 68.696 26.907 17.104 706 HD13 ILE 86 2HD1 ILE 86 67.487 26.120 18.119 707 H ALA 87 H ALA 87 63.432 27.086 18.275 708 HA ALA 87 HA ALA 87 62.528 29.714 18.743 709 HB1 ALA 87 1HB ALA 87 62.248 27.353 20.039 710 HB2 ALA 87 2HB ALA 87 63.382 28.187 21.103 711 HB3 ALA 87 3HB ALA 87 61.824 28.922 20.725 712 HA PRO 88 HA PRO 88 66.117 31.998 19.820 713 HB2 PRO 88 1HB PRO 88 65.232 33.518 21.888 714 HB3 PRO 88 2HB PRO 88 64.736 33.792 20.213 715 HG2 PRO 88 1HG PRO 88 63.288 32.363 22.409 716 HG3 PRO 88 2HG PRO 88 62.655 33.508 21.212 717 HD2 PRO 88 1HD PRO 88 62.359 30.828 20.963 718 HD3 PRO 88 2HD PRO 88 62.526 31.904 19.561 719 H GLN 89 H GLN 89 64.544 30.140 22.327 720 HA GLN 89 HA GLN 89 66.694 30.413 24.218 721 HB2 GLN 89 1HB GLN 89 65.450 28.897 25.602 722 HB3 GLN 89 2HB GLN 89 64.316 30.032 24.881 723 HG2 GLN 89 1HG GLN 89 63.970 28.216 23.092 724 HG3 GLN 89 2HG GLN 89 64.734 27.137 24.258 725 HE21 GLN 89 2HE2 GLN 89 62.391 29.793 24.506 726 HE22 GLN 89 1HE2 GLN 89 61.205 28.891 25.381 727 H GLN 90 H GLN 90 66.467 28.806 21.373 728 HA GLN 90 HA GLN 90 68.419 26.786 22.245 729 HB2 GLN 90 1HB GLN 90 67.443 25.328 20.382 730 HB3 GLN 90 2HB GLN 90 66.503 25.481 21.860 731 HG2 GLN 90 1HG GLN 90 65.158 27.252 20.736 732 HG3 GLN 90 2HG GLN 90 66.022 26.883 19.244 733 HE21 GLN 90 2HE2 GLN 90 63.428 26.082 21.250 734 HE22 GLN 90 1HE2 GLN 90 62.908 24.656 20.425 735 H ARG 91 H ARG 91 68.272 29.529 20.747 736 HA ARG 91 HA ARG 91 69.851 28.713 18.401 737 HB2 ARG 91 1HB ARG 91 69.186 30.675 17.303 738 HB3 ARG 91 2HB ARG 91 67.731 30.133 18.127 739 HG2 ARG 91 1HG ARG 91 68.082 31.759 19.886 740 HG3 ARG 91 2HG ARG 91 69.598 32.267 19.138 741 HD2 ARG 91 1HD ARG 91 67.526 33.700 18.707 742 HD3 ARG 91 2HD ARG 91 68.504 33.240 17.314 743 HE ARG 91 HE ARG 91 66.316 31.450 17.864 744 HH11 ARG 91 1HH1 ARG 91 67.325 34.342 16.210 745 HH12 ARG 91 2HH1 ARG 91 66.067 34.258 15.021 746 HH21 ARG 91 1HH2 ARG 91 64.655 31.328 16.305 747 HH22 ARG 91 2HH2 ARG 91 64.549 32.544 15.077 748 H ARG 92 H ARG 92 70.542 29.274 21.380 749 HA ARG 92 HA ARG 92 72.205 31.544 21.460 750 HB2 ARG 92 1HB ARG 92 71.305 29.940 23.357 751 HB3 ARG 92 2HB ARG 92 72.845 29.131 23.100 752 HG2 ARG 92 1HG ARG 92 73.179 30.649 24.868 753 HG3 ARG 92 2HG ARG 92 73.947 31.369 23.451 754 HD2 ARG 92 1HD ARG 92 71.697 32.583 23.125 755 HD3 ARG 92 2HD ARG 92 71.380 32.132 24.799 756 HE ARG 92 HE ARG 92 73.223 34.134 23.857 757 HH11 ARG 92 1HH1 ARG 92 72.378 32.004 26.477 758 HH12 ARG 92 2HH1 ARG 92 73.182 32.954 27.682 759 HH21 ARG 92 1HH2 ARG 92 74.285 35.394 25.434 760 HH22 ARG 92 2HH2 ARG 92 74.266 34.883 27.088 761 H GLY 93 H GLY 93 74.557 31.590 21.591 762 HA2 GLY 93 1HA GLY 93 76.403 29.714 21.026 763 HA3 GLY 93 2HA GLY 93 75.725 30.043 19.438 764 H ALA 94 H ALA 94 75.414 32.647 19.252 765 HA ALA 94 HA ALA 94 77.357 34.314 20.384 766 HB1 ALA 94 1HB ALA 94 79.193 33.485 19.383 767 HB2 ALA 94 2HB ALA 94 78.268 32.691 18.108 768 HB3 ALA 94 3HB ALA 94 78.622 34.415 17.997 769 HA PRO 95 HA PRO 95 74.989 37.378 18.323 770 HB2 PRO 95 1HB PRO 95 76.810 39.352 17.924 771 HB3 PRO 95 2HB PRO 95 76.161 38.952 19.518 772 HG2 PRO 95 1HG PRO 95 78.763 38.148 18.276 773 HG3 PRO 95 2HG PRO 95 78.435 38.696 19.930 774 HD2 PRO 95 1HD PRO 95 78.753 36.083 19.297 775 HD3 PRO 95 2HD PRO 95 77.676 36.626 20.600 776 H VAL 96 H VAL 96 74.313 36.786 16.327 777 HA VAL 96 HA VAL 96 76.201 37.142 14.090 778 HB VAL 96 HB VAL 96 74.483 35.585 12.885 779 HG11 VAL 96 1HG1 VAL 96 76.520 34.627 14.890 780 HG12 VAL 96 2HG1 VAL 96 75.773 33.594 13.669 781 HG13 VAL 96 3HG1 VAL 96 76.773 34.961 13.177 782 HG21 VAL 96 3HG2 VAL 96 74.149 34.396 15.600 783 HG22 VAL 96 1HG2 VAL 96 73.065 35.689 15.087 784 HG23 VAL 96 2HG2 VAL 96 73.161 34.195 14.154 785 HA PRO 97 HA PRO 97 73.558 40.158 12.308 786 HB2 PRO 97 1HB PRO 97 73.786 39.613 9.658 787 HB3 PRO 97 2HB PRO 97 75.089 40.342 10.605 788 HG2 PRO 97 1HG PRO 97 74.713 37.488 9.783 789 HG3 PRO 97 2HG PRO 97 76.190 38.469 9.774 790 HD2 PRO 97 1HD PRO 97 75.643 36.677 11.729 791 HD3 PRO 97 2HD PRO 97 76.550 38.173 12.031 792 H GLN 98 H GLN 98 71.429 39.955 12.708 793 HA GLN 98 HA GLN 98 69.814 37.760 12.183 794 HB2 GLN 98 1HB GLN 98 69.096 40.683 12.424 795 HB3 GLN 98 2HB GLN 98 67.905 39.390 12.361 796 HG2 GLN 98 1HG GLN 98 68.809 38.429 14.399 797 HG3 GLN 98 2HG GLN 98 70.049 39.681 14.453 798 HE21 GLN 98 2HE2 GLN 98 68.536 39.400 16.621 799 HE22 GLN 98 1HE2 GLN 98 67.397 40.692 16.765 800 H GLU 99 H GLU 99 70.798 40.370 10.094 801 HA GLU 99 HA GLU 99 68.877 40.243 8.101 802 HB2 GLU 99 1HB GLU 99 70.680 41.050 6.571 803 HB3 GLU 99 2HB GLU 99 70.538 41.973 8.061 804 HG2 GLU 99 1HG GLU 99 72.474 40.947 8.978 805 HG3 GLU 99 2HG GLU 99 72.540 39.766 7.671 806 H LEU 100 H LEU 100 71.601 38.125 8.729 807 HA LEU 100 HA LEU 100 71.405 36.693 6.261 808 HB2 LEU 100 1HB LEU 100 72.748 35.988 8.865 809 HB3 LEU 100 2HB LEU 100 72.916 35.072 7.369 810 HG LEU 100 HG LEU 100 73.958 37.822 7.997 811 HD11 LEU 100 1HD1 LEU 100 75.959 36.848 8.133 812 HD12 LEU 100 2HD1 LEU 100 75.678 35.866 6.697 813 HD13 LEU 100 3HD1 LEU 100 75.075 35.327 8.264 814 HD21 LEU 100 3HD2 LEU 100 74.817 37.658 5.574 815 HD22 LEU 100 1HD2 LEU 100 73.150 38.166 5.844 816 HD23 LEU 100 2HD2 LEU 100 73.496 36.511 5.343 817 H LEU 101 H LEU 101 70.198 36.214 9.541 818 HA LEU 101 HA LEU 101 69.116 33.621 9.043 819 HB2 LEU 101 1HB LEU 101 68.526 35.639 11.202 820 HB3 LEU 101 2HB LEU 101 67.912 33.987 11.181 821 HG LEU 101 HG LEU 101 69.676 33.535 12.479 822 HD11 LEU 101 1HD1 LEU 101 70.274 32.571 10.242 823 HD12 LEU 101 2HD1 LEU 101 71.635 32.840 11.330 824 HD13 LEU 101 3HD1 LEU 101 71.333 33.961 10.003 825 HD21 LEU 101 3HD2 LEU 101 70.749 36.145 11.477 826 HD22 LEU 101 1HD2 LEU 101 71.765 35.050 12.414 827 HD23 LEU 101 2HD2 LEU 101 70.276 35.686 13.113 828 H ASP 102 H ASP 102 67.977 36.881 8.640 829 HA ASP 102 HA ASP 102 65.204 36.194 8.393 830 HB2 ASP 102 1HB ASP 102 66.179 38.474 9.039 831 HB3 ASP 102 2HB ASP 102 66.497 38.698 7.321 832 H ARG 103 H ARG 103 67.843 36.877 6.131 833 HA ARG 103 HA ARG 103 66.278 36.697 3.780 834 HB2 ARG 103 1HB ARG 103 68.440 36.483 2.610 835 HB3 ARG 103 2HB ARG 103 68.440 37.806 3.769 836 HG2 ARG 103 1HG ARG 103 69.630 36.366 5.374 837 HG3 ARG 103 2HG ARG 103 69.681 35.090 4.156 838 HD2 ARG 103 1HD ARG 103 71.003 37.793 4.066 839 HD3 ARG 103 2HD ARG 103 71.778 36.209 4.091 840 HE ARG 103 HE ARG 103 71.276 35.944 1.831 841 HH11 ARG 103 1HH1 ARG 103 69.969 38.916 3.088 842 HH12 ARG 103 2HH1 ARG 103 69.655 39.591 1.524 843 HH21 ARG 103 1HH2 ARG 103 70.867 36.822 -0.234 844 HH22 ARG 103 2HH2 ARG 103 70.165 38.400 -0.365 845 H VAL 104 H VAL 104 68.209 34.339 5.576 846 HA VAL 104 HA VAL 104 67.877 32.216 3.721 847 HB VAL 104 HB VAL 104 68.670 30.749 5.514 848 HG11 VAL 104 1HG1 VAL 104 70.791 32.136 6.080 849 HG12 VAL 104 2HG1 VAL 104 70.455 31.715 4.400 850 HG13 VAL 104 3HG1 VAL 104 70.084 33.333 4.996 851 HG21 VAL 104 3HG2 VAL 104 67.579 31.572 7.441 852 HG22 VAL 104 1HG2 VAL 104 69.299 31.854 7.707 853 HG23 VAL 104 2HG2 VAL 104 68.251 33.188 7.225 854 H LEU 105 H LEU 105 66.123 33.213 6.621 855 HA LEU 105 HA LEU 105 64.401 30.969 6.735 856 HB2 LEU 105 1HB LEU 105 64.337 33.728 7.889 857 HB3 LEU 105 2HB LEU 105 62.937 32.670 8.043 858 HG LEU 105 HG LEU 105 65.700 31.996 9.046 859 HD11 LEU 105 1HD1 LEU 105 65.252 32.965 11.017 860 HD12 LEU 105 2HD1 LEU 105 63.552 32.501 10.974 861 HD13 LEU 105 3HD1 LEU 105 64.099 33.926 10.091 862 HD21 LEU 105 3HD2 LEU 105 64.907 29.957 9.407 863 HD22 LEU 105 1HD2 LEU 105 63.419 30.408 8.576 864 HD23 LEU 105 2HD2 LEU 105 63.550 30.614 10.322 865 H ALA 106 H ALA 106 63.883 34.275 5.508 866 HA ALA 106 HA ALA 106 61.287 33.908 4.556 867 HB1 ALA 106 1HB ALA 106 63.094 35.688 3.020 868 HB2 ALA 106 2HB ALA 106 61.476 35.987 3.656 869 HB3 ALA 106 3HB ALA 106 62.870 36.034 4.735 870 H ALA 107 H ALA 107 64.402 33.389 2.951 871 HA ALA 107 HA ALA 107 63.355 32.748 0.408 872 HB1 ALA 107 1HB ALA 107 65.592 33.274 0.328 873 HB2 ALA 107 2HB ALA 107 65.978 32.327 1.766 874 HB3 ALA 107 3HB ALA 107 65.651 31.514 0.236 875 H GLN 108 H GLN 108 64.110 30.792 3.247 876 HA GLN 108 HA GLN 108 63.825 28.259 2.092 877 HB2 GLN 108 1HB GLN 108 64.612 29.026 4.487 878 HB3 GLN 108 2HB GLN 108 62.925 28.751 4.900 879 HG2 GLN 108 1HG GLN 108 64.982 26.787 3.977 880 HG3 GLN 108 2HG GLN 108 63.971 26.746 5.421 881 HE21 GLN 108 2HE2 GLN 108 61.720 26.283 5.162 882 HE22 GLN 108 1HE2 GLN 108 61.176 25.341 3.820 883 H ALA 109 H ALA 109 61.428 30.311 3.728 884 HA ALA 109 HA ALA 109 59.270 28.494 3.341 885 HB1 ALA 109 1HB ALA 109 58.729 31.389 3.697 886 HB2 ALA 109 2HB ALA 109 57.993 29.992 4.484 887 HB3 ALA 109 3HB ALA 109 59.588 30.548 4.988 888 H TYR 110 H TYR 110 60.643 31.101 1.469 889 HA TYR 110 HA TYR 110 58.439 31.413 -0.313 890 HB2 TYR 110 1HB TYR 110 60.447 33.017 0.182 891 HB3 TYR 110 2HB TYR 110 61.258 32.093 -1.078 892 HD1 TYR 110 HD1 TYR 110 57.850 33.575 -0.610 893 HD2 TYR 110 HD2 TYR 110 61.250 33.131 -3.129 894 HE1 TYR 110 HE1 TYR 110 56.755 34.961 -2.322 895 HE2 TYR 110 HE2 TYR 110 60.166 34.517 -4.847 896 HH TYR 110 HH TYR 110 57.190 36.222 -4.225 897 H TRP 111 H TRP 111 61.488 29.616 -0.444 898 HA TRP 111 HA TRP 111 61.007 28.590 -3.074 899 HB2 TRP 111 1HB TRP 111 62.985 27.819 -0.923 900 HB3 TRP 111 2HB TRP 111 62.943 27.074 -2.519 901 HD1 TRP 111 HD1 TRP 111 64.969 29.425 -0.858 902 HE1 TRP 111 HE1 TRP 111 65.955 31.210 -2.429 903 HE3 TRP 111 HE3 TRP 111 61.855 28.790 -4.863 904 HZ2 TRP 111 HZ2 TRP 111 65.475 32.216 -5.022 905 HZ3 TRP 111 HZ3 TRP 111 62.185 30.205 -6.849 906 HH2 TRP 111 HH2 TRP 111 63.958 31.882 -6.925 907 H SER 112 H SER 112 59.980 27.737 0.070 908 HA SER 112 HA SER 112 59.710 24.980 -0.069 909 HB2 SER 112 1HB SER 112 59.273 26.261 1.977 910 HB3 SER 112 2HB SER 112 57.835 26.967 1.240 911 HG SER 112 HG SER 112 58.287 24.251 1.914 912 H VAL 113 H VAL 113 58.829 23.856 -1.671 913 HA VAL 113 HA VAL 113 56.311 24.833 -2.854 914 HB VAL 113 HB VAL 113 56.909 23.490 -4.862 915 HG11 VAL 113 1HG1 VAL 113 57.601 26.005 -4.271 916 HG12 VAL 113 2HG1 VAL 113 59.208 25.320 -4.523 917 HG13 VAL 113 3HG1 VAL 113 58.001 25.237 -5.807 918 HG21 VAL 113 3HG2 VAL 113 58.956 22.530 -3.131 919 HG22 VAL 113 1HG2 VAL 113 58.561 22.010 -4.769 920 HG23 VAL 113 2HG2 VAL 113 59.715 23.319 -4.513 921 H ASP 114 H ASP 114 58.001 22.136 -1.437 922 HA ASP 114 HA ASP 114 55.460 20.712 -1.197 923 HB2 ASP 114 1HB ASP 114 56.773 19.851 -3.203 924 HB3 ASP 114 2HB ASP 114 57.965 19.261 -2.048 925 H SER 115 H SER 115 55.541 18.979 0.428 926 HA SER 115 HA SER 115 57.449 19.659 2.563 927 HB2 SER 115 1HB SER 115 55.390 20.063 3.524 928 HB3 SER 115 2HB SER 115 54.583 18.818 2.571 929 HG SER 115 HG SER 115 54.759 18.103 4.683 930 H SER 116 H SER 116 55.428 16.801 1.936 931 HA SER 116 HA SER 116 57.862 15.150 1.962 932 HB2 SER 116 1HB SER 116 56.893 14.957 4.177 933 HB3 SER 116 2HB SER 116 55.304 14.615 3.491 934 HG SER 116 HG SER 116 57.624 12.997 3.438 935 H GLY 117 H GLY 117 57.486 12.941 1.082 936 HA2 GLY 117 1HA GLY 117 55.250 12.114 -0.316 937 HA3 GLY 117 2HA GLY 117 56.158 13.122 -1.434 938 H ARG 118 H ARG 118 56.427 10.285 0.671 939 HA ARG 118 HA ARG 118 58.788 9.377 -0.764 940 HB2 ARG 118 1HB ARG 118 58.988 7.694 0.899 941 HB3 ARG 118 2HB ARG 118 58.517 9.164 1.741 942 HG2 ARG 118 1HG ARG 118 56.157 8.337 1.685 943 HG3 ARG 118 2HG ARG 118 56.778 6.808 1.059 944 HD2 ARG 118 1HD ARG 118 57.469 8.091 3.700 945 HD3 ARG 118 2HD ARG 118 56.471 6.658 3.456 946 HE ARG 118 HE ARG 118 59.077 6.341 2.347 947 HH11 ARG 118 1HH1 ARG 118 57.272 6.258 5.322 948 HH12 ARG 118 2HH1 ARG 118 58.365 5.166 6.107 949 HH21 ARG 118 1HH2 ARG 118 60.524 4.904 3.369 950 HH22 ARG 118 2HH2 ARG 118 60.214 4.397 4.995 951 H ILE 119 H ILE 119 58.679 6.793 -1.049 952 HA ILE 119 HA ILE 119 56.707 6.400 -3.121 953 HB ILE 119 HB ILE 119 58.774 4.445 -2.111 954 HG12 ILE 119 1HG1 ILE 119 59.839 6.519 -2.868 955 HG13 ILE 119 2HG1 ILE 119 60.157 5.207 -3.998 956 HG21 ILE 119 1HG2 ILE 119 56.732 4.367 -4.194 957 HG22 ILE 119 2HG2 ILE 119 58.344 3.949 -4.771 958 HG23 ILE 119 3HG2 ILE 119 57.627 3.052 -3.432 959 HD11 ILE 119 3HD1 ILE 119 58.556 6.067 -5.544 960 HD12 ILE 119 1HD1 ILE 119 58.014 7.279 -4.384 961 HD13 ILE 119 2HD1 ILE 119 59.636 7.378 -5.071 962 H VAL 120 H VAL 120 54.711 6.164 -2.185 963 HA VAL 120 HA VAL 120 54.381 3.977 -0.244 964 HB VAL 120 HB VAL 120 52.101 5.006 0.134 965 HG11 VAL 120 1HG1 VAL 120 54.246 6.990 0.777 966 HG12 VAL 120 2HG1 VAL 120 52.903 6.432 1.775 967 HG13 VAL 120 3HG1 VAL 120 54.284 5.375 1.482 968 HG21 VAL 120 3HG2 VAL 120 52.949 7.628 -0.795 969 HG22 VAL 120 1HG2 VAL 120 52.731 6.476 -2.112 970 HG23 VAL 120 2HG2 VAL 120 51.404 6.801 -0.997 971 H THR 121 H THR 121 54.678 2.647 -2.313 972 HA THR 121 HA THR 121 52.622 2.558 -4.252 973 HB THR 121 HB THR 121 54.386 0.239 -3.464 974 HG1 THR 121 HG1 THR 121 54.976 2.298 -5.344 975 HG21 THR 121 3HG2 THR 121 53.989 0.513 -6.262 976 HG22 THR 121 1HG2 THR 121 52.414 0.629 -5.479 977 HG23 THR 121 2HG2 THR 121 53.436 -0.781 -5.199 978 H LEU 122 H LEU 122 53.118 0.867 -1.197 979 HA LEU 122 HA LEU 122 50.639 -0.632 -1.566 980 HB2 LEU 122 1HB LEU 122 52.713 -1.724 -0.702 981 HB3 LEU 122 2HB LEU 122 52.573 -0.724 0.742 982 HG LEU 122 HG LEU 122 50.192 -1.842 0.883 983 HD11 LEU 122 1HD1 LEU 122 50.034 -4.013 -0.005 984 HD12 LEU 122 2HD1 LEU 122 51.735 -4.037 -0.467 985 HD13 LEU 122 3HD1 LEU 122 50.601 -3.003 -1.335 986 HD21 LEU 122 3HD2 LEU 122 51.678 -3.898 1.908 987 HD22 LEU 122 1HD2 LEU 122 51.322 -2.382 2.736 988 HD23 LEU 122 2HD2 LEU 122 52.844 -2.575 1.866 Start of MODEL 14 1 H1 GLY 1 H GLY 1 141.627 38.516 -1.633 2 HA2 GLY 1 1HA GLY 1 140.519 36.648 -3.170 3 HA3 GLY 1 2HA GLY 1 139.747 36.289 -1.633 4 H SER 2 H SER 2 137.797 36.763 -2.957 5 HA SER 2 HA SER 2 137.132 39.607 -2.704 6 HB2 SER 2 1HB SER 2 135.720 39.093 -4.912 7 HB3 SER 2 2HB SER 2 137.382 39.679 -4.984 8 HG SER 2 HG SER 2 136.344 37.199 -5.626 9 HA PRO 3 HA PRO 3 133.353 38.266 -0.928 10 HB2 PRO 3 1HB PRO 3 131.578 40.086 -1.881 11 HB3 PRO 3 2HB PRO 3 132.799 40.481 -0.665 12 HG2 PRO 3 1HG PRO 3 132.835 40.976 -3.617 13 HG3 PRO 3 2HG PRO 3 133.328 42.051 -2.296 14 HD2 PRO 3 1HD PRO 3 135.110 40.641 -3.769 15 HD3 PRO 3 2HD PRO 3 135.377 41.023 -2.056 16 H PHE 4 H PHE 4 132.444 36.405 -1.546 17 HA PHE 4 HA PHE 4 131.679 35.900 -4.269 18 HB2 PHE 4 1HB PHE 4 131.696 34.338 -1.726 19 HB3 PHE 4 2HB PHE 4 130.663 33.781 -3.039 20 HD1 PHE 4 HD2 PHE 4 134.163 34.970 -2.523 21 HD2 PHE 4 HD1 PHE 4 131.548 32.251 -4.494 22 HE1 PHE 4 HE2 PHE 4 136.099 33.875 -3.575 23 HE2 PHE 4 HE1 PHE 4 133.480 31.151 -5.548 24 HZ PHE 4 HZ PHE 4 135.759 31.964 -5.090 25 H ALA 5 H ALA 5 129.608 35.591 -5.084 26 HA ALA 5 HA ALA 5 127.344 36.267 -3.356 27 HB1 ALA 5 1HB ALA 5 127.411 37.552 -6.037 28 HB2 ALA 5 2HB ALA 5 126.620 38.076 -4.550 29 HB3 ALA 5 3HB ALA 5 128.363 38.269 -4.737 30 H ASP 6 H ASP 6 125.241 35.812 -4.414 31 HA ASP 6 HA ASP 6 125.494 33.530 -6.260 32 HB2 ASP 6 1HB ASP 6 123.084 33.077 -5.266 33 HB3 ASP 6 2HB ASP 6 124.534 32.563 -4.408 34 HA PRO 7 HA PRO 7 123.044 35.532 -9.297 35 HB2 PRO 7 1HB PRO 7 121.506 33.502 -10.237 36 HB3 PRO 7 2HB PRO 7 123.237 33.628 -10.570 37 HG2 PRO 7 1HG PRO 7 121.817 31.962 -8.528 38 HG3 PRO 7 2HG PRO 7 123.165 31.519 -9.592 39 HD2 PRO 7 1HD PRO 7 123.519 32.178 -6.990 40 HD3 PRO 7 2HD PRO 7 124.732 32.531 -8.237 41 H ASN 8 H ASN 8 121.168 36.655 -9.495 42 HA ASN 8 HA ASN 8 119.300 36.561 -7.326 43 HB2 ASN 8 1HB ASN 8 120.050 38.647 -8.574 44 HB3 ASN 8 2HB ASN 8 118.995 38.130 -9.887 45 HD21 ASN 8 2HD2 ASN 8 118.779 40.536 -8.391 46 HD22 ASN 8 1HD2 ASN 8 117.258 40.503 -7.573 47 H SER 9 H SER 9 117.470 35.444 -7.194 48 HA SER 9 HA SER 9 116.138 34.570 -9.656 49 HB2 SER 9 1HB SER 9 117.641 32.750 -8.638 50 HB3 SER 9 2HB SER 9 116.468 32.689 -7.323 51 HG SER 9 HG SER 9 116.105 32.065 -10.050 52 H LEU 10 H LEU 10 113.940 33.546 -9.068 53 HA LEU 10 HA LEU 10 112.739 34.682 -6.672 54 HB2 LEU 10 1HB LEU 10 112.646 36.308 -8.691 55 HB3 LEU 10 2HB LEU 10 111.409 35.211 -9.301 56 HG LEU 10 HG LEU 10 110.049 35.643 -7.310 57 HD11 LEU 10 1HD1 LEU 10 111.124 37.931 -6.199 58 HD12 LEU 10 2HD1 LEU 10 112.514 36.863 -6.387 59 HD13 LEU 10 3HD1 LEU 10 111.105 36.324 -5.473 60 HD21 LEU 10 3HD2 LEU 10 109.833 38.224 -7.769 61 HD22 LEU 10 1HD2 LEU 10 109.367 37.040 -8.990 62 HD23 LEU 10 2HD2 LEU 10 110.929 37.853 -9.101 63 H ALA 11 H ALA 11 110.485 33.933 -6.368 64 HA ALA 11 HA ALA 11 110.100 31.277 -7.587 65 HB1 ALA 11 1HB ALA 11 108.713 30.915 -5.414 66 HB2 ALA 11 2HB ALA 11 110.472 30.800 -5.362 67 HB3 ALA 11 3HB ALA 11 109.668 32.266 -4.802 68 H LEU 12 H LEU 12 107.922 30.581 -7.958 69 HA LEU 12 HA LEU 12 105.692 32.306 -7.649 70 HB2 LEU 12 1HB LEU 12 107.174 33.224 -9.626 71 HB3 LEU 12 2HB LEU 12 106.368 31.940 -10.525 72 HG LEU 12 HG LEU 12 105.222 34.029 -10.884 73 HD11 LEU 12 1HD1 LEU 12 103.072 33.272 -10.571 74 HD12 LEU 12 2HD1 LEU 12 103.425 32.591 -8.984 75 HD13 LEU 12 3HD1 LEU 12 103.993 31.774 -10.440 76 HD21 LEU 12 3HD2 LEU 12 104.499 35.471 -9.239 77 HD22 LEU 12 1HD2 LEU 12 106.014 34.887 -8.550 78 HD23 LEU 12 2HD2 LEU 12 104.479 34.217 -7.998 79 H ALA 13 H ALA 13 103.926 31.074 -7.600 80 HA ALA 13 HA ALA 13 103.632 28.789 -9.349 81 HB1 ALA 13 1HB ALA 13 104.876 27.716 -7.625 82 HB2 ALA 13 2HB ALA 13 103.878 28.447 -6.368 83 HB3 ALA 13 3HB ALA 13 103.191 27.229 -7.441 84 H ASN 14 H ASN 14 101.498 27.563 -8.571 85 HA ASN 14 HA ASN 14 99.518 29.541 -7.692 86 HB2 ASN 14 1HB ASN 14 97.978 28.816 -9.485 87 HB3 ASN 14 2HB ASN 14 99.439 29.559 -10.129 88 HD21 ASN 14 2HD2 ASN 14 100.615 28.463 -11.555 89 HD22 ASN 14 1HD2 ASN 14 100.372 26.807 -11.984 90 H VAL 15 H VAL 15 97.530 28.617 -6.908 91 HA VAL 15 HA VAL 15 97.978 26.039 -5.630 92 HB VAL 15 HB VAL 15 95.713 28.005 -5.261 93 HG11 VAL 15 1HG1 VAL 15 96.510 25.643 -3.563 94 HG12 VAL 15 2HG1 VAL 15 95.155 26.738 -3.281 95 HG13 VAL 15 3HG1 VAL 15 95.150 25.669 -4.684 96 HG21 VAL 15 3HG2 VAL 15 97.503 29.160 -4.401 97 HG22 VAL 15 1HG2 VAL 15 97.006 28.230 -2.987 98 HG23 VAL 15 2HG2 VAL 15 98.377 27.694 -3.958 99 HA PRO 16 HA PRO 16 95.495 23.861 -8.572 100 HB2 PRO 16 1HB PRO 16 95.178 21.578 -7.138 101 HB3 PRO 16 2HB PRO 16 96.689 21.998 -7.954 102 HG2 PRO 16 1HG PRO 16 95.942 22.314 -5.073 103 HG3 PRO 16 2HG PRO 16 97.464 21.737 -5.778 104 HD2 PRO 16 1HD PRO 16 97.155 24.260 -4.846 105 HD3 PRO 16 2HD PRO 16 98.217 23.871 -6.214 106 H LEU 17 H LEU 17 93.459 22.307 -8.318 107 HA LEU 17 HA LEU 17 91.538 23.681 -6.556 108 HB2 LEU 17 1HB LEU 17 90.935 22.461 -9.242 109 HB3 LEU 17 2HB LEU 17 89.843 23.406 -8.232 110 HG LEU 17 HG LEU 17 92.355 24.575 -9.399 111 HD11 LEU 17 1HD1 LEU 17 91.376 24.145 -11.393 112 HD12 LEU 17 2HD1 LEU 17 90.459 25.593 -10.979 113 HD13 LEU 17 3HD1 LEU 17 89.762 23.998 -10.697 114 HD21 LEU 17 3HD2 LEU 17 89.934 25.593 -7.996 115 HD22 LEU 17 1HD2 LEU 17 90.715 26.618 -9.200 116 HD23 LEU 17 2HD2 LEU 17 91.628 26.048 -7.802 117 H SER 18 H SER 18 89.364 22.158 -6.729 118 HA SER 18 HA SER 18 89.979 19.352 -6.489 119 HB2 SER 18 1HB SER 18 89.614 21.087 -4.096 120 HB3 SER 18 2HB SER 18 88.846 19.500 -4.072 121 HG SER 18 HG SER 18 91.587 19.947 -4.655 122 H ARG 19 H ARG 19 88.064 18.041 -6.146 123 HA ARG 19 HA ARG 19 85.464 19.105 -5.987 124 HB2 ARG 19 1HB ARG 19 84.696 18.790 -8.281 125 HB3 ARG 19 2HB ARG 19 85.984 19.985 -8.220 126 HG2 ARG 19 1HG ARG 19 86.715 17.160 -8.774 127 HG3 ARG 19 2HG ARG 19 85.935 18.097 -10.051 128 HD2 ARG 19 1HD ARG 19 87.719 19.891 -9.461 129 HD3 ARG 19 2HD ARG 19 88.573 18.543 -8.711 130 HE ARG 19 HE ARG 19 87.902 17.692 -11.242 131 HH11 ARG 19 1HH1 ARG 19 89.769 20.282 -9.853 132 HH12 ARG 19 2HH1 ARG 19 90.866 20.383 -11.190 133 HH21 ARG 19 1HH2 ARG 19 89.340 17.816 -13.009 134 HH22 ARG 19 2HH2 ARG 19 90.620 18.981 -12.985 135 H SER 20 H SER 20 83.788 17.453 -6.403 136 HA SER 20 HA SER 20 84.587 14.730 -6.820 137 HB2 SER 20 1HB SER 20 83.856 15.670 -4.043 138 HB3 SER 20 2HB SER 20 83.764 13.980 -4.538 139 HG SER 20 HG SER 20 86.052 15.639 -4.391 140 H LYS 21 H LYS 21 82.567 13.293 -5.949 141 HA LYS 21 HA LYS 21 80.042 14.648 -6.424 142 HB2 LYS 21 1HB LYS 21 81.328 12.796 -8.364 143 HB3 LYS 21 2HB LYS 21 79.596 12.622 -8.113 144 HG2 LYS 21 1HG LYS 21 79.340 15.040 -8.632 145 HG3 LYS 21 2HG LYS 21 81.058 15.085 -9.036 146 HD2 LYS 21 1HD LYS 21 80.080 14.757 -11.107 147 HD3 LYS 21 2HD LYS 21 80.468 13.106 -10.616 148 HE2 LYS 21 1HE LYS 21 78.057 13.158 -9.606 149 HE3 LYS 21 2HE LYS 21 77.819 14.479 -10.749 150 HZ1 LYS 21 3HZ LYS 21 78.821 11.794 -11.518 151 HZ2 LYS 21 1HZ LYS 21 78.356 13.048 -12.554 152 HZ3 LYS 21 2HZ LYS 21 77.196 12.255 -11.612 153 H ARG 22 H ARG 22 79.153 14.035 -4.528 154 HA ARG 22 HA ARG 22 78.162 11.412 -4.232 155 HB2 ARG 22 1HB ARG 22 80.408 10.808 -3.598 156 HB3 ARG 22 2HB ARG 22 80.501 12.156 -2.473 157 HG2 ARG 22 1HG ARG 22 78.631 11.087 -1.187 158 HG3 ARG 22 2HG ARG 22 78.820 9.677 -2.232 159 HD2 ARG 22 1HD ARG 22 80.165 9.080 -0.475 160 HD3 ARG 22 2HD ARG 22 81.336 9.883 -1.520 161 HE ARG 22 HE ARG 22 80.294 11.820 0.170 162 HH11 ARG 22 1HH1 ARG 22 82.147 8.885 0.427 163 HH12 ARG 22 2HH1 ARG 22 82.987 9.386 1.858 164 HH21 ARG 22 1HH2 ARG 22 81.392 12.492 2.053 165 HH22 ARG 22 2HH2 ARG 22 82.556 11.438 2.782 166 HA PRO 23 HA PRO 23 75.390 13.821 -1.786 167 HB2 PRO 23 1HB PRO 23 73.943 11.783 -0.728 168 HB3 PRO 23 2HB PRO 23 73.779 12.306 -2.408 169 HG2 PRO 23 1HG PRO 23 75.325 10.002 -1.284 170 HG3 PRO 23 2HG PRO 23 74.302 10.064 -2.732 171 HD2 PRO 23 1HD PRO 23 77.003 10.207 -2.850 172 HD3 PRO 23 2HD PRO 23 75.951 11.044 -4.009 173 H ASP 24 H ASP 24 74.610 13.975 0.486 174 HA ASP 24 HA ASP 24 75.781 12.562 2.608 175 HB2 ASP 24 1HB ASP 24 77.891 13.490 2.133 176 HB3 ASP 24 2HB ASP 24 77.208 15.068 1.750 177 H PHE 25 H PHE 25 74.896 13.135 4.566 178 HA PHE 25 HA PHE 25 72.970 15.362 4.481 179 HB2 PHE 25 1HB PHE 25 72.276 12.820 4.796 180 HB3 PHE 25 2HB PHE 25 72.702 13.154 6.471 181 HD1 PHE 25 HD1 PHE 25 70.635 14.479 3.676 182 HD2 PHE 25 HD2 PHE 25 71.134 14.091 7.885 183 HE1 PHE 25 HE1 PHE 25 68.423 15.496 4.029 184 HE2 PHE 25 HE2 PHE 25 68.923 15.106 8.244 185 HZ PHE 25 HZ PHE 25 67.563 15.810 6.315 186 H GLY 26 H GLY 26 72.409 16.158 6.775 187 HA2 GLY 26 1HA GLY 26 74.650 16.074 8.631 188 HA3 GLY 26 2HA GLY 26 74.331 17.634 7.886 189 H GLN 27 H GLN 27 74.217 17.136 10.663 190 HA GLN 27 HA GLN 27 71.596 16.669 11.593 191 HB2 GLN 27 1HB GLN 27 73.827 18.253 12.877 192 HB3 GLN 27 2HB GLN 27 72.376 17.691 13.697 193 HG2 GLN 27 1HG GLN 27 74.547 15.985 12.501 194 HG3 GLN 27 2HG GLN 27 74.217 16.237 14.214 195 HE21 GLN 27 2HE2 GLN 27 74.215 13.833 12.391 196 HE22 GLN 27 1HE2 GLN 27 72.698 13.066 12.701 197 H ARG 28 H ARG 28 70.766 18.657 13.160 198 HA ARG 28 HA ARG 28 70.414 20.969 11.369 199 HB2 ARG 28 1HB ARG 28 68.081 21.138 12.192 200 HB3 ARG 28 2HB ARG 28 68.387 19.655 11.297 201 HG2 ARG 28 1HG ARG 28 67.328 18.692 13.020 202 HG3 ARG 28 2HG ARG 28 68.899 18.823 13.813 203 HD2 ARG 28 1HD ARG 28 68.253 20.639 15.085 204 HD3 ARG 28 2HD ARG 28 66.974 21.100 13.962 205 HE ARG 28 HE ARG 28 66.358 18.598 15.078 206 HH11 ARG 28 1HH1 ARG 28 66.594 21.953 15.979 207 HH12 ARG 28 2HH1 ARG 28 65.407 21.834 17.236 208 HH21 ARG 28 1HH2 ARG 28 64.793 18.429 16.730 209 HH22 ARG 28 2HH2 ARG 28 64.384 19.829 17.662 210 H ARG 29 H ARG 29 72.219 20.497 13.674 211 HA ARG 29 HA ARG 29 71.601 22.949 15.094 212 HB2 ARG 29 1HB ARG 29 72.051 21.778 17.318 213 HB3 ARG 29 2HB ARG 29 70.479 21.506 16.579 214 HG2 ARG 29 1HG ARG 29 71.313 19.360 15.683 215 HG3 ARG 29 2HG ARG 29 72.831 19.629 16.542 216 HD2 ARG 29 1HD ARG 29 71.720 18.331 18.066 217 HD3 ARG 29 2HD ARG 29 71.234 19.938 18.604 218 HE ARG 29 HE ARG 29 69.358 19.036 16.740 219 HH11 ARG 29 1HH1 ARG 29 70.483 18.267 19.944 220 HH12 ARG 29 2HH1 ARG 29 68.962 17.622 20.465 221 HH21 ARG 29 1HH2 ARG 29 67.350 18.190 17.414 222 HH22 ARG 29 2HH2 ARG 29 67.180 17.578 19.025 223 H ILE 30 H ILE 30 73.554 22.955 13.418 224 HA ILE 30 HA ILE 30 76.013 22.382 14.938 225 HB ILE 30 HB ILE 30 75.785 22.728 11.949 226 HG12 ILE 30 1HG1 ILE 30 74.598 20.709 12.630 227 HG13 ILE 30 2HG1 ILE 30 76.105 20.279 11.830 228 HG21 ILE 30 1HG2 ILE 30 78.016 22.211 13.840 229 HG22 ILE 30 2HG2 ILE 30 78.065 21.425 12.263 230 HG23 ILE 30 3HG2 ILE 30 77.980 23.183 12.369 231 HD11 ILE 30 3HD1 ILE 30 76.668 20.477 14.580 232 HD12 ILE 30 1HD1 ILE 30 75.174 19.554 14.419 233 HD13 ILE 30 2HD1 ILE 30 76.630 19.031 13.572 234 H ARG 31 H ARG 31 77.624 23.949 15.051 235 HA ARG 31 HA ARG 31 76.873 26.634 14.104 236 HB2 ARG 31 1HB ARG 31 78.062 27.464 16.213 237 HB3 ARG 31 2HB ARG 31 76.466 26.754 16.416 238 HG2 ARG 31 1HG ARG 31 77.271 24.900 17.484 239 HG3 ARG 31 2HG ARG 31 78.848 24.998 16.697 240 HD2 ARG 31 1HD ARG 31 77.835 26.885 18.821 241 HD3 ARG 31 2HD ARG 31 78.949 25.547 19.097 242 HE ARG 31 HE ARG 31 80.102 27.088 17.130 243 HH11 ARG 31 1HH1 ARG 31 79.060 27.550 20.419 244 HH12 ARG 31 2HH1 ARG 31 80.246 28.765 20.762 245 HH21 ARG 31 1HH2 ARG 31 81.669 28.686 17.569 246 HH22 ARG 31 2HH2 ARG 31 81.730 29.411 19.140 247 H ARG 32 H ARG 32 78.264 27.048 12.505 248 HA ARG 32 HA ARG 32 81.082 26.292 12.847 249 HB2 ARG 32 1HB ARG 32 80.115 25.414 10.823 250 HB3 ARG 32 2HB ARG 32 79.490 26.997 10.380 251 HG2 ARG 32 1HG ARG 32 81.866 27.791 10.248 252 HG3 ARG 32 2HG ARG 32 82.359 26.107 10.440 253 HD2 ARG 32 1HD ARG 32 80.557 27.147 8.257 254 HD3 ARG 32 2HD ARG 32 82.284 26.836 8.078 255 HE ARG 32 HE ARG 32 80.188 24.914 8.001 256 HH11 ARG 32 1HH1 ARG 32 83.499 25.386 8.969 257 HH12 ARG 32 2HH1 ARG 32 83.923 23.714 8.802 258 HH21 ARG 32 1HH2 ARG 32 80.734 22.710 7.778 259 HH22 ARG 32 2HH2 ARG 32 82.349 22.193 8.124 260 HA PRO 33 HA PRO 33 82.148 30.518 13.533 261 HB2 PRO 33 1HB PRO 33 84.804 30.334 13.002 262 HB3 PRO 33 2HB PRO 33 84.075 29.710 14.487 263 HG2 PRO 33 1HG PRO 33 84.850 28.242 11.995 264 HG3 PRO 33 2HG PRO 33 85.089 27.775 13.689 265 HD2 PRO 33 1HD PRO 33 83.087 26.769 12.170 266 HD3 PRO 33 2HD PRO 33 82.923 27.022 13.919 267 H PHE 34 H PHE 34 80.931 31.277 11.668 268 HA PHE 34 HA PHE 34 82.648 31.843 9.341 269 HB2 PHE 34 1HB PHE 34 80.282 32.227 8.243 270 HB3 PHE 34 2HB PHE 34 80.951 30.605 8.387 271 HD1 PHE 34 HD1 PHE 34 79.108 32.899 10.686 272 HD2 PHE 34 HD2 PHE 34 79.346 29.053 8.880 273 HE1 PHE 34 HE1 PHE 34 77.110 32.193 11.936 274 HE2 PHE 34 HE2 PHE 34 77.348 28.340 10.126 275 HZ PHE 34 HZ PHE 34 76.226 29.911 11.655 276 H THR 35 H THR 35 82.119 33.890 8.203 277 HA THR 35 HA THR 35 81.539 35.995 10.172 278 HB THR 35 HB THR 35 82.874 36.439 7.509 279 HG1 THR 35 HG1 THR 35 84.636 35.565 8.276 280 HG21 THR 35 3HG2 THR 35 83.956 38.210 9.219 281 HG22 THR 35 1HG2 THR 35 82.374 38.004 9.968 282 HG23 THR 35 2HG2 THR 35 82.493 38.535 8.290 283 H VAL 36 H VAL 36 80.367 37.892 9.450 284 HA VAL 36 HA VAL 36 77.915 37.351 8.298 285 HB VAL 36 HB VAL 36 78.253 39.345 9.622 286 HG11 VAL 36 1HG1 VAL 36 79.555 41.218 8.908 287 HG12 VAL 36 2HG1 VAL 36 80.576 39.781 8.811 288 HG13 VAL 36 3HG1 VAL 36 79.874 40.467 7.344 289 HG21 VAL 36 3HG2 VAL 36 77.603 40.837 7.256 290 HG22 VAL 36 1HG2 VAL 36 76.853 39.242 7.196 291 HG23 VAL 36 2HG2 VAL 36 76.549 40.309 8.568 292 H ALA 37 H ALA 37 80.882 38.484 6.768 293 HA ALA 37 HA ALA 37 79.758 39.018 4.223 294 HB1 ALA 37 1HB ALA 37 82.501 38.711 5.313 295 HB2 ALA 37 2HB ALA 37 82.288 38.582 3.566 296 HB3 ALA 37 3HB ALA 37 81.781 40.045 4.410 297 H GLU 38 H GLU 38 81.528 36.208 5.506 298 HA GLU 38 HA GLU 38 81.432 34.667 3.160 299 HB2 GLU 38 1HB GLU 38 81.636 33.845 6.058 300 HB3 GLU 38 2HB GLU 38 81.810 32.725 4.714 301 HG2 GLU 38 1HG GLU 38 83.652 34.320 3.898 302 HG3 GLU 38 2HG GLU 38 83.609 34.968 5.536 303 H VAL 39 H VAL 39 79.312 34.666 6.015 304 HA VAL 39 HA VAL 39 77.557 32.661 5.122 305 HB VAL 39 HB VAL 39 76.979 34.969 6.984 306 HG11 VAL 39 1HG1 VAL 39 75.155 33.572 7.829 307 HG12 VAL 39 2HG1 VAL 39 74.933 33.959 6.121 308 HG13 VAL 39 3HG1 VAL 39 75.511 32.362 6.597 309 HG21 VAL 39 3HG2 VAL 39 77.220 32.678 8.488 310 HG22 VAL 39 1HG2 VAL 39 78.491 32.497 7.279 311 HG23 VAL 39 2HG2 VAL 39 78.450 33.929 8.309 312 H GLU 40 H GLU 40 77.668 36.117 4.536 313 HA GLU 40 HA GLU 40 75.075 36.369 3.423 314 HB2 GLU 40 1HB GLU 40 77.545 38.026 3.484 315 HB3 GLU 40 2HB GLU 40 76.351 38.402 2.250 316 HG2 GLU 40 1HG GLU 40 74.681 38.840 3.879 317 HG3 GLU 40 2HG GLU 40 75.692 38.201 5.174 318 H LEU 41 H LEU 41 78.281 36.091 1.894 319 HA LEU 41 HA LEU 41 77.341 36.006 -0.756 320 HB2 LEU 41 1HB LEU 41 79.863 34.862 0.433 321 HB3 LEU 41 2HB LEU 41 79.554 35.052 -1.291 322 HG LEU 41 HG LEU 41 79.427 37.461 0.459 323 HD11 LEU 41 1HD1 LEU 41 82.020 36.375 -0.612 324 HD12 LEU 41 2HD1 LEU 41 81.505 36.195 1.064 325 HD13 LEU 41 3HD1 LEU 41 81.776 37.803 0.394 326 HD21 LEU 41 3HD2 LEU 41 80.351 38.501 -1.589 327 HD22 LEU 41 1HD2 LEU 41 78.805 37.694 -1.855 328 HD23 LEU 41 2HD2 LEU 41 80.303 36.922 -2.376 329 H LEU 42 H LEU 42 77.864 33.493 1.647 330 HA LEU 42 HA LEU 42 77.526 31.289 -0.105 331 HB2 LEU 42 1HB LEU 42 78.592 30.772 1.889 332 HB3 LEU 42 2HB LEU 42 77.423 31.665 2.859 333 HG LEU 42 HG LEU 42 75.755 29.888 2.401 334 HD11 LEU 42 1HD1 LEU 42 78.099 28.468 1.144 335 HD12 LEU 42 2HD1 LEU 42 76.668 29.060 0.302 336 HD13 LEU 42 3HD1 LEU 42 76.520 27.757 1.482 337 HD21 LEU 42 3HD2 LEU 42 77.389 28.074 3.613 338 HD22 LEU 42 1HD2 LEU 42 76.543 29.383 4.437 339 HD23 LEU 42 2HD2 LEU 42 78.224 29.591 3.947 340 H VAL 43 H VAL 43 75.316 32.501 2.424 341 HA VAL 43 HA VAL 43 73.083 31.036 1.691 342 HB VAL 43 HB VAL 43 73.179 33.801 2.904 343 HG11 VAL 43 1HG1 VAL 43 70.906 33.347 3.690 344 HG12 VAL 43 2HG1 VAL 43 70.989 33.355 1.927 345 HG13 VAL 43 3HG1 VAL 43 70.902 31.825 2.800 346 HG21 VAL 43 3HG2 VAL 43 72.987 32.696 5.024 347 HG22 VAL 43 1HG2 VAL 43 72.809 31.125 4.242 348 HG23 VAL 43 2HG2 VAL 43 74.346 31.987 4.152 349 H GLU 44 H GLU 44 74.359 33.991 0.320 350 HA GLU 44 HA GLU 44 72.028 34.593 -1.235 351 HB2 GLU 44 1HB GLU 44 73.566 36.366 -0.580 352 HB3 GLU 44 2HB GLU 44 74.873 35.588 -1.460 353 HG2 GLU 44 1HG GLU 44 73.813 36.018 -3.555 354 HG3 GLU 44 2HG GLU 44 72.355 36.601 -2.753 355 H ALA 45 H ALA 45 75.008 32.818 -1.741 356 HA ALA 45 HA ALA 45 74.799 32.563 -4.556 357 HB1 ALA 45 1HB ALA 45 76.250 30.868 -2.528 358 HB2 ALA 45 2HB ALA 45 76.429 30.714 -4.276 359 HB3 ALA 45 3HB ALA 45 76.914 32.205 -3.469 360 H VAL 46 H VAL 46 73.854 30.425 -1.878 361 HA VAL 46 HA VAL 46 72.767 28.412 -3.589 362 HB VAL 46 HB VAL 46 73.492 27.687 -1.450 363 HG11 VAL 46 1HG1 VAL 46 71.724 28.831 0.409 364 HG12 VAL 46 2HG1 VAL 46 73.465 29.089 0.273 365 HG13 VAL 46 3HG1 VAL 46 72.344 30.161 -0.568 366 HG21 VAL 46 3HG2 VAL 46 70.640 27.591 -0.773 367 HG22 VAL 46 1HG2 VAL 46 71.022 27.091 -2.420 368 HG23 VAL 46 2HG2 VAL 46 71.785 26.280 -1.053 369 H GLU 47 H GLU 47 71.490 31.226 -1.935 370 HA GLU 47 HA GLU 47 68.739 30.571 -2.352 371 HB2 GLU 47 1HB GLU 47 69.249 32.039 -0.543 372 HB3 GLU 47 2HB GLU 47 70.150 33.125 -1.592 373 HG2 GLU 47 1HG GLU 47 67.260 32.656 -2.130 374 HG3 GLU 47 2HG GLU 47 67.733 33.719 -0.806 375 H HIS 48 H HIS 48 70.981 32.861 -3.899 376 HA HIS 48 HA HIS 48 69.250 33.905 -5.803 377 HB2 HIS 48 1HB HIS 48 71.617 34.659 -5.258 378 HB3 HIS 48 2HB HIS 48 72.176 33.361 -6.309 379 HD1 HIS 48 HD1 HIS 48 70.173 36.564 -6.443 380 HD2 HIS 48 HD2 HIS 48 72.156 33.945 -8.987 381 HE1 HIS 48 HE1 HIS 48 70.183 37.689 -8.692 382 H LEU 49 H LEU 49 70.796 30.808 -5.663 383 HA LEU 49 HA LEU 49 69.998 30.213 -8.423 384 HB2 LEU 49 1HB LEU 49 71.709 28.598 -6.540 385 HB3 LEU 49 2HB LEU 49 71.410 28.246 -8.241 386 HG LEU 49 HG LEU 49 72.722 30.815 -7.438 387 HD11 LEU 49 1HD1 LEU 49 74.659 28.871 -8.217 388 HD12 LEU 49 2HD1 LEU 49 73.761 28.267 -6.824 389 HD13 LEU 49 3HD1 LEU 49 74.577 29.828 -6.738 390 HD21 LEU 49 3HD2 LEU 49 72.325 29.214 -9.891 391 HD22 LEU 49 1HD2 LEU 49 73.882 30.025 -9.718 392 HD23 LEU 49 2HD2 LEU 49 72.389 30.963 -9.672 393 H GLY 50 H GLY 50 69.154 29.632 -5.151 394 HA2 GLY 50 1HA GLY 50 67.649 28.199 -4.148 395 HA3 GLY 50 2HA GLY 50 66.687 28.560 -5.573 396 H THR 51 H THR 51 65.772 26.468 -5.495 397 HA THR 51 HA THR 51 65.650 24.204 -5.837 398 HB THR 51 HB THR 51 65.978 25.143 -8.136 399 HG1 THR 51 HG1 THR 51 67.174 22.580 -7.797 400 HG21 THR 51 3HG2 THR 51 68.840 24.478 -7.500 401 HG22 THR 51 1HG2 THR 51 68.175 25.979 -8.140 402 HG23 THR 51 2HG2 THR 51 68.248 24.542 -9.160 403 H GLY 52 H GLY 52 67.682 25.053 -3.894 404 HA2 GLY 52 1HA GLY 52 69.586 24.270 -2.833 405 HA3 GLY 52 2HA GLY 52 68.790 22.725 -3.096 406 H ARG 53 H ARG 53 70.168 24.876 -5.540 407 HA ARG 53 HA ARG 53 71.578 22.721 -6.768 408 HB2 ARG 53 1HB ARG 53 71.017 25.524 -7.345 409 HB3 ARG 53 2HB ARG 53 72.646 25.055 -7.814 410 HG2 ARG 53 1HG ARG 53 71.849 23.386 -9.280 411 HG3 ARG 53 2HG ARG 53 70.214 23.489 -8.622 412 HD2 ARG 53 1HD ARG 53 70.162 25.872 -9.447 413 HD3 ARG 53 2HD ARG 53 71.666 25.525 -10.299 414 HE ARG 53 HE ARG 53 69.659 23.613 -10.926 415 HH11 ARG 53 1HH1 ARG 53 70.691 26.872 -11.587 416 HH12 ARG 53 2HH1 ARG 53 69.965 26.921 -13.159 417 HH21 ARG 53 1HH2 ARG 53 68.700 23.666 -12.995 418 HH22 ARG 53 2HH2 ARG 53 68.832 25.097 -13.959 419 H TRP 54 H TRP 54 72.815 22.060 -4.858 420 HA TRP 54 HA TRP 54 74.726 23.609 -3.568 421 HB2 TRP 54 1HB TRP 54 75.919 21.291 -3.319 422 HB3 TRP 54 2HB TRP 54 74.359 21.561 -2.548 423 HD1 TRP 54 HD1 TRP 54 72.329 20.107 -3.360 424 HE1 TRP 54 HE1 TRP 54 72.114 18.102 -4.959 425 HE3 TRP 54 HE3 TRP 54 76.945 20.316 -5.546 426 HZ2 TRP 54 HZ2 TRP 54 73.694 16.783 -6.891 427 HZ3 TRP 54 HZ3 TRP 54 77.515 18.645 -7.260 428 HH2 TRP 54 HH2 TRP 54 75.922 16.916 -7.917 429 H ARG 55 H ARG 55 74.808 22.091 -6.702 430 HA ARG 55 HA ARG 55 77.638 22.317 -7.066 431 HB2 ARG 55 1HB ARG 55 76.549 20.640 -8.342 432 HB3 ARG 55 2HB ARG 55 75.344 21.772 -8.940 433 HG2 ARG 55 1HG ARG 55 76.952 21.193 -10.669 434 HG3 ARG 55 2HG ARG 55 77.047 22.907 -10.259 435 HD2 ARG 55 1HD ARG 55 79.061 22.640 -9.104 436 HD3 ARG 55 2HD ARG 55 78.847 20.896 -8.955 437 HE ARG 55 HE ARG 55 79.985 22.321 -11.176 438 HH11 ARG 55 1HH1 ARG 55 78.386 19.398 -10.165 439 HH12 ARG 55 2HH1 ARG 55 79.010 18.449 -11.473 440 HH21 ARG 55 1HH2 ARG 55 80.812 21.082 -12.904 441 HH22 ARG 55 2HH2 ARG 55 80.390 19.407 -13.030 442 H ASP 56 H ASP 56 74.835 24.119 -8.316 443 HA ASP 56 HA ASP 56 76.253 26.018 -9.794 444 HB2 ASP 56 1HB ASP 56 73.669 25.513 -9.576 445 HB3 ASP 56 2HB ASP 56 73.739 26.809 -8.385 446 H VAL 57 H VAL 57 75.089 26.164 -6.437 447 HA VAL 57 HA VAL 57 76.026 28.740 -5.852 448 HB VAL 57 HB VAL 57 74.470 27.746 -4.349 449 HG11 VAL 57 1HG1 VAL 57 76.252 25.726 -3.192 450 HG12 VAL 57 2HG1 VAL 57 74.533 25.637 -3.582 451 HG13 VAL 57 3HG1 VAL 57 75.740 25.390 -4.845 452 HG21 VAL 57 3HG2 VAL 57 75.354 28.741 -2.561 453 HG22 VAL 57 1HG2 VAL 57 76.633 27.534 -2.435 454 HG23 VAL 57 2HG2 VAL 57 76.834 28.924 -3.501 455 H LYS 58 H LYS 58 77.554 25.567 -5.383 456 HA LYS 58 HA LYS 58 79.868 26.356 -4.092 457 HB2 LYS 58 1HB LYS 58 79.107 23.997 -4.596 458 HB3 LYS 58 2HB LYS 58 79.756 24.214 -6.217 459 HG2 LYS 58 1HG LYS 58 81.559 24.792 -3.939 460 HG3 LYS 58 2HG LYS 58 81.155 23.104 -4.260 461 HD2 LYS 58 1HD LYS 58 82.206 25.011 -6.345 462 HD3 LYS 58 2HD LYS 58 83.226 23.920 -5.405 463 HE2 LYS 58 1HE LYS 58 81.811 22.028 -6.260 464 HE3 LYS 58 2HE LYS 58 81.039 23.185 -7.343 465 HZ1 LYS 58 3HZ LYS 58 83.028 23.527 -8.500 466 HZ2 LYS 58 1HZ LYS 58 82.958 21.852 -8.271 467 HZ3 LYS 58 2HZ LYS 58 83.971 22.797 -7.301 468 H PHE 59 H PHE 59 79.163 26.323 -7.559 469 HA PHE 59 HA PHE 59 81.791 27.315 -8.236 470 HB2 PHE 59 1HB PHE 59 80.504 25.760 -9.716 471 HB3 PHE 59 2HB PHE 59 79.355 27.061 -10.010 472 HD1 PHE 59 HD2 PHE 59 83.061 27.206 -9.795 473 HD2 PHE 59 HD1 PHE 59 79.609 27.563 -12.259 474 HE1 PHE 59 HE2 PHE 59 84.467 28.023 -11.641 475 HE2 PHE 59 HE1 PHE 59 81.010 28.380 -14.110 476 HZ PHE 59 HZ PHE 59 83.442 28.612 -13.802 477 H ARG 60 H ARG 60 78.720 28.625 -7.436 478 HA ARG 60 HA ARG 60 79.599 31.289 -8.340 479 HB2 ARG 60 1HB ARG 60 77.444 30.240 -9.308 480 HB3 ARG 60 2HB ARG 60 76.743 30.575 -7.731 481 HG2 ARG 60 1HG ARG 60 77.012 32.904 -7.995 482 HG3 ARG 60 2HG ARG 60 78.064 32.695 -9.397 483 HD2 ARG 60 1HD ARG 60 75.219 31.731 -9.384 484 HD3 ARG 60 2HD ARG 60 75.639 33.386 -9.824 485 HE ARG 60 HE ARG 60 77.164 31.469 -11.286 486 HH11 ARG 60 1HH1 ARG 60 74.067 33.052 -11.117 487 HH12 ARG 60 2HH1 ARG 60 73.734 32.865 -12.807 488 HH21 ARG 60 1HH2 ARG 60 76.736 31.217 -13.512 489 HH22 ARG 60 2HH2 ARG 60 75.252 31.821 -14.168 490 H ALA 61 H ALA 61 80.770 30.759 -6.108 491 HA ALA 61 HA ALA 61 79.580 32.530 -4.206 492 HB1 ALA 61 1HB ALA 61 79.117 31.087 -2.430 493 HB2 ALA 61 2HB ALA 61 78.433 30.268 -3.835 494 HB3 ALA 61 3HB ALA 61 79.982 29.743 -3.175 495 H PHE 62 H PHE 62 81.867 29.787 -4.211 496 HA PHE 62 HA PHE 62 83.989 31.669 -3.436 497 HB2 PHE 62 1HB PHE 62 83.035 29.281 -1.998 498 HB3 PHE 62 2HB PHE 62 84.782 29.373 -2.193 499 HD1 PHE 62 HD1 PHE 62 82.061 31.815 -1.429 500 HD2 PHE 62 HD2 PHE 62 85.845 30.196 -0.345 501 HE1 PHE 62 HE1 PHE 62 82.184 33.381 0.465 502 HE2 PHE 62 HE2 PHE 62 85.974 31.758 1.551 503 HZ PHE 62 HZ PHE 62 84.141 33.353 1.959 504 H GLU 63 H GLU 63 83.239 30.470 -6.012 505 HA GLU 63 HA GLU 63 84.821 28.324 -6.769 506 HB2 GLU 63 1HB GLU 63 84.779 29.444 -9.072 507 HB3 GLU 63 2HB GLU 63 83.232 29.048 -8.337 508 HG2 GLU 63 1HG GLU 63 82.829 31.304 -7.749 509 HG3 GLU 63 2HG GLU 63 84.483 31.771 -8.141 510 H ASN 64 H ASN 64 85.640 31.756 -6.577 511 HA ASN 64 HA ASN 64 88.463 31.029 -7.016 512 HB2 ASN 64 1HB ASN 64 87.164 32.602 -8.690 513 HB3 ASN 64 2HB ASN 64 87.487 33.822 -7.461 514 HD21 ASN 64 2HD2 ASN 64 88.986 35.034 -8.437 515 HD22 ASN 64 1HD2 ASN 64 90.515 34.452 -8.994 516 H VAL 65 H VAL 65 86.976 31.037 -4.500 517 HA VAL 65 HA VAL 65 88.655 32.966 -3.052 518 HB VAL 65 HB VAL 65 85.857 32.368 -2.132 519 HG11 VAL 65 1HG1 VAL 65 87.231 34.933 -1.606 520 HG12 VAL 65 2HG1 VAL 65 86.207 33.955 -0.553 521 HG13 VAL 65 3HG1 VAL 65 87.892 33.503 -0.815 522 HG21 VAL 65 3HG2 VAL 65 85.614 33.308 -4.351 523 HG22 VAL 65 1HG2 VAL 65 85.159 34.509 -3.141 524 HG23 VAL 65 2HG2 VAL 65 86.724 34.618 -3.947 525 H HIS 66 H HIS 66 88.939 30.104 -3.575 526 HA HIS 66 HA HIS 66 89.558 28.207 -2.482 527 HB2 HIS 66 1HB HIS 66 89.889 30.329 -0.421 528 HB3 HIS 66 2HB HIS 66 89.944 28.654 0.121 529 HD1 HIS 66 HD1 HIS 66 92.487 29.959 0.563 530 HD2 HIS 66 HD2 HIS 66 91.536 28.416 -3.175 531 HE1 HIS 66 HE1 HIS 66 94.689 29.618 -0.603 532 H HIS 67 H HIS 67 87.233 27.665 -3.003 533 HA HIS 67 HA HIS 67 85.301 27.704 -0.905 534 HB2 HIS 67 1HB HIS 67 84.017 26.176 -2.408 535 HB3 HIS 67 2HB HIS 67 84.539 27.664 -3.192 536 HD1 HIS 67 HD1 HIS 67 84.190 26.264 -5.444 537 HD2 HIS 67 HD2 HIS 67 87.318 25.032 -3.002 538 HE1 HIS 67 HE1 HIS 67 85.641 24.808 -6.893 539 H ARG 68 H ARG 68 84.180 25.422 -0.476 540 HA ARG 68 HA ARG 68 86.316 23.617 0.455 541 HB2 ARG 68 1HB ARG 68 83.717 24.419 1.750 542 HB3 ARG 68 2HB ARG 68 84.587 22.969 2.235 543 HG2 ARG 68 1HG ARG 68 85.765 25.738 2.265 544 HG3 ARG 68 2HG ARG 68 85.031 24.948 3.661 545 HD2 ARG 68 1HD ARG 68 86.691 23.044 3.199 546 HD3 ARG 68 2HD ARG 68 87.534 24.210 2.180 547 HE ARG 68 HE ARG 68 88.293 25.256 4.068 548 HH11 ARG 68 1HH1 ARG 68 85.658 23.145 4.916 549 HH12 ARG 68 2HH1 ARG 68 85.869 23.352 6.623 550 HH21 ARG 68 1HH2 ARG 68 88.581 25.538 6.313 551 HH22 ARG 68 2HH2 ARG 68 87.532 24.714 7.416 552 H THR 69 H THR 69 82.780 23.316 0.254 553 HA THR 69 HA THR 69 82.947 21.342 -1.846 554 HB THR 69 HB THR 69 81.773 20.417 0.770 555 HG1 THR 69 HG1 THR 69 84.408 20.009 -0.241 556 HG21 THR 69 3HG2 THR 69 81.693 18.294 -0.221 557 HG22 THR 69 1HG2 THR 69 82.823 18.747 -1.497 558 HG23 THR 69 2HG2 THR 69 81.179 19.386 -1.507 559 H TYR 70 H TYR 70 81.093 21.236 -2.992 560 HA TYR 70 HA TYR 70 79.140 23.160 -2.811 561 HB2 TYR 70 1HB TYR 70 77.720 21.470 -4.155 562 HB3 TYR 70 2HB TYR 70 79.242 22.016 -4.849 563 HD1 TYR 70 HD1 TYR 70 77.569 19.203 -3.140 564 HD2 TYR 70 HD2 TYR 70 81.025 20.492 -5.260 565 HE1 TYR 70 HE1 TYR 70 78.299 16.864 -3.360 566 HE2 TYR 70 HE2 TYR 70 81.764 18.157 -5.488 567 HH TYR 70 HH TYR 70 81.295 15.932 -4.060 568 H VAL 71 H VAL 71 79.151 19.926 -1.388 569 HA VAL 71 HA VAL 71 76.505 19.967 -0.408 570 HB VAL 71 HB VAL 71 77.784 17.890 -0.595 571 HG11 VAL 71 1HG1 VAL 71 79.786 17.527 0.346 572 HG12 VAL 71 2HG1 VAL 71 79.843 19.280 0.539 573 HG13 VAL 71 3HG1 VAL 71 79.306 18.262 1.876 574 HG21 VAL 71 3HG2 VAL 71 77.449 17.590 2.203 575 HG22 VAL 71 1HG2 VAL 71 76.207 18.703 1.628 576 HG23 VAL 71 2HG2 VAL 71 76.355 17.099 0.910 577 H ASP 72 H ASP 72 79.539 21.167 0.872 578 HA ASP 72 HA ASP 72 78.669 21.607 3.529 579 HB2 ASP 72 1HB ASP 72 81.074 21.599 2.542 580 HB3 ASP 72 2HB ASP 72 80.762 23.297 2.193 581 H LEU 73 H LEU 73 78.709 23.650 0.641 582 HA LEU 73 HA LEU 73 77.832 26.019 1.896 583 HB2 LEU 73 1HB LEU 73 77.674 25.045 -0.943 584 HB3 LEU 73 2HB LEU 73 77.092 26.634 -0.451 585 HG LEU 73 HG LEU 73 79.614 26.713 0.522 586 HD11 LEU 73 1HD1 LEU 73 80.593 25.776 -1.933 587 HD12 LEU 73 2HD1 LEU 73 79.561 24.497 -1.295 588 HD13 LEU 73 3HD1 LEU 73 80.897 25.117 -0.326 589 HD21 LEU 73 3HD2 LEU 73 78.626 27.436 -2.232 590 HD22 LEU 73 1HD2 LEU 73 80.162 27.980 -1.556 591 HD23 LEU 73 2HD2 LEU 73 78.644 28.458 -0.794 592 H LYS 74 H LYS 74 76.052 23.504 0.120 593 HA LYS 74 HA LYS 74 73.498 24.671 0.492 594 HB2 LYS 74 1HB LYS 74 73.875 23.059 -1.278 595 HB3 LYS 74 2HB LYS 74 74.307 21.820 -0.106 596 HG2 LYS 74 1HG LYS 74 71.630 23.067 0.144 597 HG3 LYS 74 2HG LYS 74 71.902 21.960 -1.204 598 HD2 LYS 74 1HD LYS 74 72.882 20.384 0.598 599 HD3 LYS 74 2HD LYS 74 72.028 21.421 1.743 600 HE2 LYS 74 1HE LYS 74 69.935 20.863 0.860 601 HE3 LYS 74 2HE LYS 74 70.631 20.242 -0.636 602 HZ1 LYS 74 3HZ LYS 74 69.946 18.403 0.679 603 HZ2 LYS 74 1HZ LYS 74 70.747 18.988 2.050 604 HZ3 LYS 74 2HZ LYS 74 71.637 18.438 0.722 605 H ASP 75 H ASP 75 75.251 22.124 2.231 606 HA ASP 75 HA ASP 75 73.200 21.519 4.068 607 HB2 ASP 75 1HB ASP 75 75.239 20.116 3.594 608 HB3 ASP 75 2HB ASP 75 76.171 21.260 4.555 609 H LYS 76 H LYS 76 75.832 23.863 4.127 610 HA LYS 76 HA LYS 76 75.546 24.676 6.809 611 HB2 LYS 76 1HB LYS 76 77.522 25.199 5.433 612 HB3 LYS 76 2HB LYS 76 76.542 26.270 4.439 613 HG2 LYS 76 1HG LYS 76 76.690 27.946 5.903 614 HG3 LYS 76 2HG LYS 76 76.403 26.886 7.285 615 HD2 LYS 76 1HD LYS 76 78.597 27.811 7.510 616 HD3 LYS 76 2HD LYS 76 78.771 26.108 7.077 617 HE2 LYS 76 1HE LYS 76 78.816 27.107 4.631 618 HE3 LYS 76 2HE LYS 76 79.356 28.552 5.483 619 HZ1 LYS 76 3HZ LYS 76 81.078 26.829 4.651 620 HZ2 LYS 76 1HZ LYS 76 80.648 25.971 6.045 621 HZ3 LYS 76 2HZ LYS 76 81.279 27.535 6.175 622 H TRP 77 H TRP 77 74.182 25.991 3.803 623 HA TRP 77 HA TRP 77 72.811 28.150 4.922 624 HB2 TRP 77 1HB TRP 77 72.991 28.140 2.576 625 HB3 TRP 77 2HB TRP 77 72.358 26.501 2.447 626 HD1 TRP 77 HD1 TRP 77 71.038 29.984 3.561 627 HE1 TRP 77 HE1 TRP 77 68.584 30.172 2.808 628 HE3 TRP 77 HE3 TRP 77 70.453 25.328 1.535 629 HZ2 TRP 77 HZ2 TRP 77 66.655 28.559 1.525 630 HZ3 TRP 77 HZ3 TRP 77 68.272 24.729 0.565 631 HH2 TRP 77 HH2 TRP 77 66.414 26.312 0.562 632 H LYS 78 H LYS 78 71.603 24.884 4.168 633 HA LYS 78 HA LYS 78 69.021 25.249 5.196 634 HB2 LYS 78 1HB LYS 78 69.535 23.378 3.750 635 HB3 LYS 78 2HB LYS 78 70.682 22.739 4.920 636 HG2 LYS 78 1HG LYS 78 69.047 21.919 6.288 637 HG3 LYS 78 2HG LYS 78 67.858 23.116 5.769 638 HD2 LYS 78 1HD LYS 78 67.552 21.980 3.670 639 HD3 LYS 78 2HD LYS 78 68.868 20.862 4.037 640 HE2 LYS 78 1HE LYS 78 66.876 19.680 4.481 641 HE3 LYS 78 2HE LYS 78 67.516 20.148 6.055 642 HZ1 LYS 78 3HZ LYS 78 65.225 20.612 6.104 643 HZ2 LYS 78 1HZ LYS 78 65.247 21.357 4.585 644 HZ3 LYS 78 2HZ LYS 78 65.979 22.114 5.909 645 H THR 79 H THR 79 71.936 23.902 6.718 646 HA THR 79 HA THR 79 70.815 23.258 9.192 647 HB THR 79 HB THR 79 73.643 24.145 8.590 648 HG1 THR 79 HG1 THR 79 74.037 21.952 8.373 649 HG21 THR 79 3HG2 THR 79 73.699 22.399 10.733 650 HG22 THR 79 1HG2 THR 79 72.311 23.430 11.077 651 HG23 THR 79 2HG2 THR 79 73.900 24.149 10.814 652 H LEU 80 H LEU 80 72.546 26.221 8.225 653 HA LEU 80 HA LEU 80 72.280 27.588 10.645 654 HB2 LEU 80 1HB LEU 80 73.252 29.310 9.577 655 HB3 LEU 80 2HB LEU 80 73.526 28.099 8.326 656 HG LEU 80 HG LEU 80 71.232 28.975 7.406 657 HD11 LEU 80 1HD1 LEU 80 71.709 30.751 9.582 658 HD12 LEU 80 2HD1 LEU 80 70.360 30.724 8.447 659 HD13 LEU 80 3HD1 LEU 80 71.808 31.657 8.072 660 HD21 LEU 80 3HD2 LEU 80 73.305 30.988 6.909 661 HD22 LEU 80 1HD2 LEU 80 72.466 29.917 5.786 662 HD23 LEU 80 2HD2 LEU 80 73.840 29.318 6.716 663 H VAL 81 H VAL 81 70.047 27.162 7.992 664 HA VAL 81 HA VAL 81 68.224 29.212 8.707 665 HB VAL 81 HB VAL 81 67.927 26.715 7.053 666 HG11 VAL 81 1HG1 VAL 81 65.745 28.173 6.395 667 HG12 VAL 81 2HG1 VAL 81 65.731 26.830 7.540 668 HG13 VAL 81 3HG1 VAL 81 65.842 28.489 8.127 669 HG21 VAL 81 3HG2 VAL 81 68.262 28.043 5.240 670 HG22 VAL 81 1HG2 VAL 81 67.509 29.449 5.993 671 HG23 VAL 81 2HG2 VAL 81 69.159 28.996 6.422 672 H HIS 82 H HIS 82 68.354 25.742 9.433 673 HA HIS 82 HA HIS 82 65.930 25.594 10.849 674 HB2 HIS 82 1HB HIS 82 67.649 23.741 9.998 675 HB3 HIS 82 2HB HIS 82 68.201 23.847 11.667 676 HD1 HIS 82 HD1 HIS 82 66.071 23.620 13.463 677 HD2 HIS 82 HD2 HIS 82 65.653 21.955 9.679 678 HE1 HIS 82 HE1 HIS 82 64.213 21.938 13.669 679 H THR 83 H THR 83 69.227 26.313 11.893 680 HA THR 83 HA THR 83 68.608 26.404 14.675 681 HB THR 83 HB THR 83 70.938 27.738 13.288 682 HG1 THR 83 HG1 THR 83 71.876 25.817 13.184 683 HG21 THR 83 3HG2 THR 83 72.039 27.270 15.501 684 HG22 THR 83 1HG2 THR 83 70.449 26.832 16.123 685 HG23 THR 83 2HG2 THR 83 70.751 28.473 15.552 686 H ALA 84 H ALA 84 68.523 28.714 12.062 687 HA ALA 84 HA ALA 84 68.201 30.983 13.836 688 HB1 ALA 84 1HB ALA 84 69.425 31.166 11.687 689 HB2 ALA 84 2HB ALA 84 67.905 30.881 10.838 690 HB3 ALA 84 3HB ALA 84 68.099 32.319 11.840 691 H SER 85 H SER 85 66.217 28.566 12.677 692 HA SER 85 HA SER 85 63.826 30.273 12.692 693 HB2 SER 85 1HB SER 85 64.414 28.558 10.794 694 HB3 SER 85 2HB SER 85 63.768 27.374 11.930 695 HG SER 85 HG SER 85 62.210 28.298 10.435 696 H ILE 86 H ILE 86 65.348 27.535 14.260 697 HA ILE 86 HA ILE 86 63.237 26.577 15.790 698 HB ILE 86 HB ILE 86 65.005 25.882 17.447 699 HG12 ILE 86 1HG1 ILE 86 66.893 27.075 15.408 700 HG13 ILE 86 2HG1 ILE 86 66.520 27.820 16.958 701 HG21 ILE 86 1HG2 ILE 86 64.505 25.006 14.810 702 HG22 ILE 86 2HG2 ILE 86 66.239 24.855 15.091 703 HG23 ILE 86 3HG2 ILE 86 65.098 24.065 16.179 704 HD11 ILE 86 3HD1 ILE 86 67.944 25.226 16.454 705 HD12 ILE 86 1HD1 ILE 86 68.578 26.691 17.204 706 HD13 ILE 86 2HD1 ILE 86 67.367 25.723 18.045 707 H ALA 87 H ALA 87 63.400 26.748 18.342 708 HA ALA 87 HA ALA 87 62.353 29.201 19.089 709 HB1 ALA 87 1HB ALA 87 63.376 26.835 20.535 710 HB2 ALA 87 2HB ALA 87 63.216 28.326 21.464 711 HB3 ALA 87 3HB ALA 87 61.813 27.645 20.641 712 HA PRO 88 HA PRO 88 65.686 31.966 19.794 713 HB2 PRO 88 1HB PRO 88 64.917 33.245 22.061 714 HB3 PRO 88 2HB PRO 88 64.135 33.508 20.498 715 HG2 PRO 88 1HG PRO 88 63.266 31.783 22.785 716 HG3 PRO 88 2HG PRO 88 62.296 32.865 21.768 717 HD2 PRO 88 1HD PRO 88 62.361 30.184 21.395 718 HD3 PRO 88 2HD PRO 88 62.151 31.330 20.055 719 H GLN 89 H GLN 89 64.767 29.878 22.464 720 HA GLN 89 HA GLN 89 67.167 30.365 23.970 721 HB2 GLN 89 1HB GLN 89 65.354 27.999 24.349 722 HB3 GLN 89 2HB GLN 89 66.323 28.843 25.549 723 HG2 GLN 89 1HG GLN 89 64.818 30.839 25.159 724 HG3 GLN 89 2HG GLN 89 63.768 29.744 24.261 725 HE21 GLN 89 2HE2 GLN 89 62.580 30.883 26.269 726 HE22 GLN 89 1HE2 GLN 89 62.419 29.836 27.633 727 H GLN 90 H GLN 90 66.137 28.144 21.509 728 HA GLN 90 HA GLN 90 68.421 26.389 21.937 729 HB2 GLN 90 1HB GLN 90 66.270 26.266 19.817 730 HB3 GLN 90 2HB GLN 90 67.459 25.018 20.164 731 HG2 GLN 90 1HG GLN 90 65.388 25.972 22.125 732 HG3 GLN 90 2HG GLN 90 65.198 24.566 21.079 733 HE21 GLN 90 2HE2 GLN 90 66.890 22.888 21.280 734 HE22 GLN 90 1HE2 GLN 90 67.526 22.565 22.853 735 H ARG 91 H ARG 91 68.103 29.305 20.619 736 HA ARG 91 HA ARG 91 69.375 28.935 18.076 737 HB2 ARG 91 1HB ARG 91 68.567 31.275 19.744 738 HB3 ARG 91 2HB ARG 91 69.748 31.527 18.466 739 HG2 ARG 91 1HG ARG 91 67.863 30.138 17.123 740 HG3 ARG 91 2HG ARG 91 66.866 30.995 18.301 741 HD2 ARG 91 1HD ARG 91 68.803 32.802 17.251 742 HD3 ARG 91 2HD ARG 91 68.008 31.985 15.907 743 HE ARG 91 HE ARG 91 66.088 33.130 16.393 744 HH11 ARG 91 1HH1 ARG 91 68.259 33.340 19.106 745 HH12 ARG 91 2HH1 ARG 91 67.287 34.493 19.961 746 HH21 ARG 91 1HH2 ARG 91 64.800 34.647 17.508 747 HH22 ARG 91 2HH2 ARG 91 65.320 35.235 19.051 748 H ARG 92 H ARG 92 71.087 27.543 19.176 749 HA ARG 92 HA ARG 92 73.199 29.085 20.464 750 HB2 ARG 92 1HB ARG 92 72.420 26.748 21.204 751 HB3 ARG 92 2HB ARG 92 73.304 26.150 19.806 752 HG2 ARG 92 1HG ARG 92 75.342 27.271 20.710 753 HG3 ARG 92 2HG ARG 92 74.420 27.637 22.170 754 HD2 ARG 92 1HD ARG 92 73.970 25.179 22.385 755 HD3 ARG 92 2HD ARG 92 75.109 24.921 21.064 756 HE ARG 92 HE ARG 92 76.804 25.194 22.561 757 HH11 ARG 92 1HH1 ARG 92 73.939 26.693 23.852 758 HH12 ARG 92 2HH1 ARG 92 74.672 27.085 25.372 759 HH21 ARG 92 1HH2 ARG 92 77.779 25.705 24.558 760 HH22 ARG 92 2HH2 ARG 92 76.856 26.524 25.772 761 H GLY 93 H GLY 93 72.892 29.994 17.948 762 HA2 GLY 93 1HA GLY 93 74.848 28.616 16.256 763 HA3 GLY 93 2HA GLY 93 73.771 29.909 15.749 764 H ALA 94 H ALA 94 75.925 30.572 14.779 765 HA ALA 94 HA ALA 94 77.936 31.623 16.509 766 HB1 ALA 94 1HB ALA 94 77.897 32.792 13.853 767 HB2 ALA 94 2HB ALA 94 79.129 31.800 14.635 768 HB3 ALA 94 3HB ALA 94 77.769 31.033 13.815 769 HA PRO 95 HA PRO 95 76.456 35.652 17.418 770 HB2 PRO 95 1HB PRO 95 78.698 37.166 17.189 771 HB3 PRO 95 2HB PRO 95 78.437 36.030 18.518 772 HG2 PRO 95 1HG PRO 95 80.044 35.682 16.016 773 HG3 PRO 95 2HG PRO 95 80.448 35.218 17.679 774 HD2 PRO 95 1HD PRO 95 79.531 33.441 15.853 775 HD3 PRO 95 2HD PRO 95 79.176 33.298 17.586 776 H VAL 96 H VAL 96 75.170 35.626 15.376 777 HA VAL 96 HA VAL 96 76.212 37.610 13.459 778 HB VAL 96 HB VAL 96 74.547 36.541 11.835 779 HG11 VAL 96 1HG1 VAL 96 76.157 34.856 11.132 780 HG12 VAL 96 2HG1 VAL 96 76.982 36.330 11.641 781 HG13 VAL 96 3HG1 VAL 96 76.941 34.928 12.710 782 HG21 VAL 96 3HG2 VAL 96 73.753 34.376 12.226 783 HG22 VAL 96 1HG2 VAL 96 74.851 34.121 13.581 784 HG23 VAL 96 2HG2 VAL 96 73.478 35.214 13.753 785 HA PRO 97 HA PRO 97 72.768 40.187 14.333 786 HB2 PRO 97 1HB PRO 97 72.297 41.302 11.903 787 HB3 PRO 97 2HB PRO 97 73.697 41.722 12.898 788 HG2 PRO 97 1HG PRO 97 73.520 39.847 10.570 789 HG3 PRO 97 2HG PRO 97 74.772 41.044 10.950 790 HD2 PRO 97 1HD PRO 97 75.081 38.403 11.459 791 HD3 PRO 97 2HD PRO 97 75.808 39.663 12.476 792 H GLN 98 H GLN 98 70.502 40.566 13.883 793 HA GLN 98 HA GLN 98 69.056 38.205 13.391 794 HB2 GLN 98 1HB GLN 98 68.222 41.094 13.583 795 HB3 GLN 98 2HB GLN 98 67.062 39.799 13.321 796 HG2 GLN 98 1HG GLN 98 67.939 38.734 15.421 797 HG3 GLN 98 2HG GLN 98 68.839 40.223 15.704 798 HE21 GLN 98 2HE2 GLN 98 67.695 40.599 17.615 799 HE22 GLN 98 1HE2 GLN 98 66.063 41.164 17.602 800 H GLU 99 H GLU 99 69.996 40.861 11.323 801 HA GLU 99 HA GLU 99 68.247 40.530 9.197 802 HB2 GLU 99 1HB GLU 99 70.044 41.514 7.792 803 HB3 GLU 99 2HB GLU 99 69.759 42.408 9.278 804 HG2 GLU 99 1HG GLU 99 71.711 40.742 10.092 805 HG3 GLU 99 2HG GLU 99 72.130 40.916 8.388 806 H LEU 100 H LEU 100 71.303 38.863 9.858 807 HA LEU 100 HA LEU 100 71.508 37.389 7.508 808 HB2 LEU 100 1HB LEU 100 72.582 37.221 10.228 809 HB3 LEU 100 2HB LEU 100 72.496 35.673 9.390 810 HG LEU 100 HG LEU 100 74.695 36.693 9.149 811 HD11 LEU 100 1HD1 LEU 100 74.887 36.545 6.737 812 HD12 LEU 100 2HD1 LEU 100 73.142 36.733 6.565 813 HD13 LEU 100 3HD1 LEU 100 73.801 35.294 7.341 814 HD21 LEU 100 3HD2 LEU 100 74.301 38.779 7.353 815 HD22 LEU 100 1HD2 LEU 100 74.829 38.910 9.031 816 HD23 LEU 100 2HD2 LEU 100 73.117 39.058 8.631 817 H LEU 101 H LEU 101 69.740 36.674 10.486 818 HA LEU 101 HA LEU 101 68.864 34.095 9.612 819 HB2 LEU 101 1HB LEU 101 67.783 35.865 11.799 820 HB3 LEU 101 2HB LEU 101 67.404 34.159 11.570 821 HG LEU 101 HG LEU 101 68.979 33.868 13.147 822 HD11 LEU 101 1HD1 LEU 101 71.064 33.280 12.268 823 HD12 LEU 101 2HD1 LEU 101 70.988 34.519 11.016 824 HD13 LEU 101 3HD1 LEU 101 69.949 33.098 10.913 825 HD21 LEU 101 3HD2 LEU 101 69.759 36.631 12.413 826 HD22 LEU 101 1HD2 LEU 101 70.970 35.631 13.215 827 HD23 LEU 101 2HD2 LEU 101 69.416 35.929 13.995 828 H ASP 102 H ASP 102 67.744 37.338 9.211 829 HA ASP 102 HA ASP 102 65.033 36.675 8.569 830 HB2 ASP 102 1HB ASP 102 65.796 38.918 9.407 831 HB3 ASP 102 2HB ASP 102 66.547 39.187 7.836 832 H ARG 103 H ARG 103 68.002 37.173 6.749 833 HA ARG 103 HA ARG 103 66.722 37.075 4.185 834 HB2 ARG 103 1HB ARG 103 69.068 36.881 3.329 835 HB3 ARG 103 2HB ARG 103 68.782 38.283 4.352 836 HG2 ARG 103 1HG ARG 103 69.857 37.198 6.217 837 HG3 ARG 103 2HG ARG 103 70.045 35.713 5.281 838 HD2 ARG 103 1HD ARG 103 72.092 36.544 4.848 839 HD3 ARG 103 2HD ARG 103 71.235 37.489 3.631 840 HE ARG 103 HE ARG 103 72.344 38.453 6.132 841 HH11 ARG 103 1HH1 ARG 103 70.284 39.079 3.397 842 HH12 ARG 103 2HH1 ARG 103 70.332 40.801 3.589 843 HH21 ARG 103 1HH2 ARG 103 72.415 40.718 6.396 844 HH22 ARG 103 2HH2 ARG 103 71.545 41.732 5.295 845 H VAL 104 H VAL 104 68.547 34.793 6.184 846 HA VAL 104 HA VAL 104 68.548 32.674 4.306 847 HB VAL 104 HB VAL 104 69.218 31.238 6.134 848 HG11 VAL 104 1HG1 VAL 104 70.884 33.189 7.184 849 HG12 VAL 104 2HG1 VAL 104 71.197 32.193 5.760 850 HG13 VAL 104 3HG1 VAL 104 70.471 33.791 5.579 851 HG21 VAL 104 3HG2 VAL 104 67.901 31.681 7.963 852 HG22 VAL 104 1HG2 VAL 104 69.405 32.467 8.445 853 HG23 VAL 104 2HG2 VAL 104 68.073 33.428 7.802 854 H LEU 105 H LEU 105 66.352 33.595 6.909 855 HA LEU 105 HA LEU 105 64.731 31.259 6.741 856 HB2 LEU 105 1HB LEU 105 64.390 33.962 7.987 857 HB3 LEU 105 2HB LEU 105 63.062 32.805 7.956 858 HG LEU 105 HG LEU 105 65.747 32.257 9.213 859 HD11 LEU 105 1HD1 LEU 105 64.107 32.428 11.304 860 HD12 LEU 105 2HD1 LEU 105 63.323 33.602 10.247 861 HD13 LEU 105 3HD1 LEU 105 65.016 33.810 10.692 862 HD21 LEU 105 3HD2 LEU 105 65.008 30.192 9.603 863 HD22 LEU 105 1HD2 LEU 105 63.733 30.529 8.432 864 HD23 LEU 105 2HD2 LEU 105 63.437 30.776 10.153 865 H ALA 106 H ALA 106 64.326 34.588 5.551 866 HA ALA 106 HA ALA 106 61.852 34.265 4.313 867 HB1 ALA 106 1HB ALA 106 62.370 36.248 3.051 868 HB2 ALA 106 2HB ALA 106 62.982 36.434 4.695 869 HB3 ALA 106 3HB ALA 106 64.092 36.052 3.379 870 H ALA 107 H ALA 107 65.111 33.647 3.086 871 HA ALA 107 HA ALA 107 64.323 33.044 0.428 872 HB1 ALA 107 1HB ALA 107 66.562 32.152 0.156 873 HB2 ALA 107 2HB ALA 107 66.617 33.678 1.038 874 HB3 ALA 107 3HB ALA 107 66.797 32.153 1.904 875 H GLN 108 H GLN 108 64.983 31.021 3.269 876 HA GLN 108 HA GLN 108 64.746 28.518 2.109 877 HB2 GLN 108 1HB GLN 108 65.458 28.961 4.450 878 HB3 GLN 108 2HB GLN 108 63.784 29.307 4.864 879 HG2 GLN 108 1HG GLN 108 64.302 27.079 5.548 880 HG3 GLN 108 2HG GLN 108 63.185 27.007 4.186 881 HE21 GLN 108 2HE2 GLN 108 66.281 26.175 5.374 882 HE22 GLN 108 1HE2 GLN 108 66.841 25.328 3.977 883 H ALA 109 H ALA 109 62.175 30.482 3.596 884 HA ALA 109 HA ALA 109 60.077 28.686 3.009 885 HB1 ALA 109 1HB ALA 109 59.447 31.570 3.169 886 HB2 ALA 109 2HB ALA 109 58.717 30.198 4.004 887 HB3 ALA 109 3HB ALA 109 60.255 30.854 4.564 888 H TYR 110 H TYR 110 61.392 31.472 1.274 889 HA TYR 110 HA TYR 110 59.472 31.713 -0.721 890 HB2 TYR 110 1HB TYR 110 61.582 33.156 -0.191 891 HB3 TYR 110 2HB TYR 110 62.384 32.090 -1.338 892 HD1 TYR 110 HD1 TYR 110 59.748 34.632 -0.939 893 HD2 TYR 110 HD2 TYR 110 61.959 32.255 -3.690 894 HE1 TYR 110 HE1 TYR 110 58.900 36.004 -2.796 895 HE2 TYR 110 HE2 TYR 110 61.118 33.621 -5.554 896 HH TYR 110 HH TYR 110 60.156 35.718 -6.014 897 H TRP 111 H TRP 111 62.221 29.527 -0.470 898 HA TRP 111 HA TRP 111 61.574 28.347 -3.066 899 HB2 TRP 111 1HB TRP 111 63.890 27.892 -1.176 900 HB3 TRP 111 2HB TRP 111 63.668 27.028 -2.695 901 HD1 TRP 111 HD1 TRP 111 65.739 29.622 -1.497 902 HE1 TRP 111 HE1 TRP 111 66.384 31.324 -3.317 903 HE3 TRP 111 HE3 TRP 111 62.178 28.473 -4.981 904 HZ2 TRP 111 HZ2 TRP 111 65.500 32.080 -5.889 905 HZ3 TRP 111 HZ3 TRP 111 62.146 29.734 -7.094 906 HH2 TRP 111 HH2 TRP 111 63.773 31.500 -7.537 907 H SER 112 H SER 112 60.329 28.043 -0.148 908 HA SER 112 HA SER 112 60.061 25.113 -0.328 909 HB2 SER 112 1HB SER 112 61.206 25.638 1.718 910 HB3 SER 112 2HB SER 112 60.040 26.901 2.111 911 HG SER 112 HG SER 112 59.494 25.090 3.278 912 H VAL 113 H VAL 113 58.000 24.217 0.180 913 HA VAL 113 HA VAL 113 55.822 25.735 -0.853 914 HB VAL 113 HB VAL 113 56.045 23.270 -1.132 915 HG11 VAL 113 1HG1 VAL 113 56.599 23.149 1.480 916 HG12 VAL 113 2HG1 VAL 113 54.871 22.792 1.542 917 HG13 VAL 113 3HG1 VAL 113 55.948 21.782 0.576 918 HG21 VAL 113 3HG2 VAL 113 53.778 22.944 -1.275 919 HG22 VAL 113 1HG2 VAL 113 53.459 23.719 0.277 920 HG23 VAL 113 2HG2 VAL 113 53.838 24.701 -1.139 921 H ASP 114 H ASP 114 56.961 24.942 2.350 922 HA ASP 114 HA ASP 114 55.472 26.989 3.581 923 HB2 ASP 114 1HB ASP 114 53.731 25.095 3.086 924 HB3 ASP 114 2HB ASP 114 54.472 24.309 4.477 925 H SER 115 H SER 115 56.458 27.533 5.429 926 HA SER 115 HA SER 115 58.433 25.649 6.513 927 HB2 SER 115 1HB SER 115 59.370 27.775 5.779 928 HB3 SER 115 2HB SER 115 58.227 28.658 6.790 929 HG SER 115 HG SER 115 60.312 26.936 7.648 930 H SER 116 H SER 116 58.336 24.936 8.568 931 HA SER 116 HA SER 116 55.905 25.401 10.045 932 HB2 SER 116 1HB SER 116 56.946 23.768 11.672 933 HB3 SER 116 2HB SER 116 56.728 23.153 10.033 934 HG SER 116 HG SER 116 58.777 22.711 10.167 935 H GLY 117 H GLY 117 56.120 25.705 12.501 936 HA2 GLY 117 1HA GLY 117 58.207 26.925 13.792 937 HA3 GLY 117 2HA GLY 117 57.405 28.231 12.932 938 H ARG 118 H ARG 118 57.696 27.598 15.845 939 HA ARG 118 HA ARG 118 54.828 27.557 16.525 940 HB2 ARG 118 1HB ARG 118 55.402 26.582 18.664 941 HB3 ARG 118 2HB ARG 118 56.077 25.595 17.375 942 HG2 ARG 118 1HG ARG 118 58.255 26.795 17.740 943 HG3 ARG 118 2HG ARG 118 57.530 27.505 19.183 944 HD2 ARG 118 1HD ARG 118 56.960 24.998 19.732 945 HD3 ARG 118 2HD ARG 118 58.301 24.679 18.632 946 HE ARG 118 HE ARG 118 59.239 26.562 20.396 947 HH11 ARG 118 1HH1 ARG 118 57.909 23.352 20.624 948 HH12 ARG 118 2HH1 ARG 118 58.802 22.942 22.051 949 HH21 ARG 118 1HH2 ARG 118 60.420 26.034 22.275 950 HH22 ARG 118 2HH2 ARG 118 60.229 24.469 22.990 951 H ILE 119 H ILE 119 54.631 28.541 18.911 952 HA ILE 119 HA ILE 119 55.044 31.298 18.649 953 HB ILE 119 HB ILE 119 54.555 29.741 21.191 954 HG12 ILE 119 1HG1 ILE 119 52.825 29.295 19.539 955 HG13 ILE 119 2HG1 ILE 119 52.180 30.333 20.806 956 HG21 ILE 119 1HG2 ILE 119 55.113 32.482 20.777 957 HG22 ILE 119 2HG2 ILE 119 53.405 32.346 21.192 958 HG23 ILE 119 3HG2 ILE 119 54.629 31.678 22.270 959 HD11 ILE 119 3HD1 ILE 119 52.929 32.221 19.103 960 HD12 ILE 119 1HD1 ILE 119 52.687 30.908 17.951 961 HD13 ILE 119 2HD1 ILE 119 51.362 31.418 18.998 962 H VAL 120 H VAL 120 57.137 31.917 18.316 963 HA VAL 120 HA VAL 120 59.233 31.027 20.121 964 HB VAL 120 HB VAL 120 60.717 32.452 18.718 965 HG11 VAL 120 1HG1 VAL 120 59.116 30.180 17.727 966 HG12 VAL 120 2HG1 VAL 120 60.041 31.070 16.516 967 HG13 VAL 120 3HG1 VAL 120 60.863 30.350 17.901 968 HG21 VAL 120 3HG2 VAL 120 59.978 33.744 16.980 969 HG22 VAL 120 1HG2 VAL 120 58.529 32.771 16.729 970 HG23 VAL 120 2HG2 VAL 120 58.607 33.906 18.077 971 H THR 121 H THR 121 60.424 32.372 21.481 972 HA THR 121 HA THR 121 58.961 34.717 22.421 973 HB THR 121 HB THR 121 61.421 33.566 23.720 974 HG1 THR 121 HG1 THR 121 59.703 31.949 23.349 975 HG21 THR 121 3HG2 THR 121 59.954 34.376 25.746 976 HG22 THR 121 1HG2 THR 121 59.186 35.378 24.516 977 HG23 THR 121 2HG2 THR 121 60.917 35.526 24.819 978 H LEU 122 H LEU 122 60.240 35.073 19.963 979 HA LEU 122 HA LEU 122 62.731 36.479 20.473 980 HB2 LEU 122 1HB LEU 122 62.752 35.242 18.478 981 HB3 LEU 122 2HB LEU 122 61.158 35.826 18.003 982 HG LEU 122 HG LEU 122 62.158 38.076 17.640 983 HD11 LEU 122 1HD1 LEU 122 64.254 37.127 19.115 984 HD12 LEU 122 2HD1 LEU 122 64.286 38.572 18.106 985 HD13 LEU 122 3HD1 LEU 122 64.883 37.040 17.470 986 HD21 LEU 122 3HD2 LEU 122 61.823 36.772 15.709 987 HD22 LEU 122 1HD2 LEU 122 63.173 35.705 16.097 988 HD23 LEU 122 2HD2 LEU 122 63.480 37.366 15.591 Start of MODEL 15 1 H1 GLY 1 H GLY 1 147.183 27.994 -20.316 2 HA2 GLY 1 1HA GLY 1 145.758 29.267 -19.030 3 HA3 GLY 1 2HA GLY 1 145.093 29.740 -20.586 4 H SER 2 H SER 2 144.783 27.515 -17.889 5 HA SER 2 HA SER 2 141.927 27.329 -18.405 6 HB2 SER 2 1HB SER 2 141.940 24.850 -18.186 7 HB3 SER 2 2HB SER 2 142.769 25.410 -19.638 8 HG SER 2 HG SER 2 144.122 24.836 -17.218 9 HA PRO 3 HA PRO 3 143.172 27.717 -13.934 10 HB2 PRO 3 1HB PRO 3 141.540 29.822 -13.410 11 HB3 PRO 3 2HB PRO 3 143.182 30.012 -14.036 12 HG2 PRO 3 1HG PRO 3 140.575 30.089 -15.505 13 HG3 PRO 3 2HG PRO 3 141.989 31.145 -15.679 14 HD2 PRO 3 1HD PRO 3 141.469 29.112 -17.391 15 HD3 PRO 3 2HD PRO 3 143.121 29.623 -16.989 16 H PHE 4 H PHE 4 141.534 27.949 -12.032 17 HA PHE 4 HA PHE 4 138.948 26.744 -12.670 18 HB2 PHE 4 1HB PHE 4 139.200 24.935 -11.132 19 HB3 PHE 4 2HB PHE 4 140.623 24.921 -12.168 20 HD1 PHE 4 HD1 PHE 4 142.784 25.788 -11.295 21 HD2 PHE 4 HD2 PHE 4 139.378 25.244 -8.801 22 HE1 PHE 4 HE1 PHE 4 144.232 25.861 -9.308 23 HE2 PHE 4 HE2 PHE 4 140.821 25.317 -6.809 24 HZ PHE 4 HZ PHE 4 143.251 25.627 -7.061 25 H ALA 5 H ALA 5 137.318 27.318 -11.303 26 HA ALA 5 HA ALA 5 138.033 28.903 -8.929 27 HB1 ALA 5 1HB ALA 5 137.126 30.085 -11.167 28 HB2 ALA 5 2HB ALA 5 135.595 29.722 -10.370 29 HB3 ALA 5 3HB ALA 5 136.810 30.697 -9.543 30 H ASP 6 H ASP 6 136.048 29.239 -7.496 31 HA ASP 6 HA ASP 6 134.553 26.704 -7.372 32 HB2 ASP 6 1HB ASP 6 134.286 27.541 -4.876 33 HB3 ASP 6 2HB ASP 6 135.734 26.683 -5.398 34 HA PRO 7 HA PRO 7 130.705 28.784 -7.688 35 HB2 PRO 7 1HB PRO 7 129.160 27.425 -5.917 36 HB3 PRO 7 2HB PRO 7 129.688 26.736 -7.457 37 HG2 PRO 7 1HG PRO 7 130.821 26.337 -4.715 38 HG3 PRO 7 2HG PRO 7 130.527 25.139 -5.989 39 HD2 PRO 7 1HD PRO 7 132.982 26.172 -5.498 40 HD3 PRO 7 2HD PRO 7 132.456 25.687 -7.124 41 H ASN 8 H ASN 8 131.485 30.806 -6.794 42 HA ASN 8 HA ASN 8 130.768 31.249 -3.978 43 HB2 ASN 8 1HB ASN 8 133.102 31.825 -4.846 44 HB3 ASN 8 2HB ASN 8 132.334 33.141 -5.730 45 HD21 ASN 8 2HD2 ASN 8 134.310 33.367 -3.687 46 HD22 ASN 8 1HD2 ASN 8 133.604 34.259 -2.387 47 H SER 9 H SER 9 129.123 32.550 -3.432 48 HA SER 9 HA SER 9 127.628 33.823 -5.613 49 HB2 SER 9 1HB SER 9 126.706 33.244 -2.789 50 HB3 SER 9 2HB SER 9 125.703 33.777 -4.138 51 HG SER 9 HG SER 9 126.474 31.760 -5.185 52 H LEU 10 H LEU 10 127.680 35.953 -5.839 53 HA LEU 10 HA LEU 10 128.491 37.590 -3.527 54 HB2 LEU 10 1HB LEU 10 128.983 38.018 -6.467 55 HB3 LEU 10 2HB LEU 10 129.311 39.227 -5.228 56 HG LEU 10 HG LEU 10 130.604 36.514 -5.183 57 HD11 LEU 10 1HD1 LEU 10 132.426 37.303 -6.434 58 HD12 LEU 10 2HD1 LEU 10 131.854 38.970 -6.376 59 HD13 LEU 10 3HD1 LEU 10 130.999 37.778 -7.354 60 HD21 LEU 10 3HD2 LEU 10 132.292 38.454 -4.153 61 HD22 LEU 10 1HD2 LEU 10 131.320 37.308 -3.231 62 HD23 LEU 10 2HD2 LEU 10 130.693 38.921 -3.573 63 H ALA 11 H ALA 11 125.850 36.962 -3.737 64 HA ALA 11 HA ALA 11 124.640 39.526 -3.871 65 HB1 ALA 11 1HB ALA 11 123.241 37.847 -5.823 66 HB2 ALA 11 2HB ALA 11 123.604 39.573 -5.860 67 HB3 ALA 11 3HB ALA 11 124.833 38.403 -6.341 68 H LEU 12 H LEU 12 123.186 39.489 -2.297 69 HA LEU 12 HA LEU 12 121.328 37.285 -2.038 70 HB2 LEU 12 1HB LEU 12 123.282 36.558 -0.727 71 HB3 LEU 12 2HB LEU 12 123.162 38.029 0.237 72 HG LEU 12 HG LEU 12 120.867 37.232 0.938 73 HD11 LEU 12 1HD1 LEU 12 121.035 35.468 -1.055 74 HD12 LEU 12 2HD1 LEU 12 120.068 35.184 0.392 75 HD13 LEU 12 3HD1 LEU 12 121.674 34.470 0.251 76 HD21 LEU 12 3HD2 LEU 12 121.738 36.143 2.759 77 HD22 LEU 12 1HD2 LEU 12 123.183 36.939 2.135 78 HD23 LEU 12 2HD2 LEU 12 122.902 35.231 1.797 79 H ALA 13 H ALA 13 119.395 37.942 -1.276 80 HA ALA 13 HA ALA 13 119.115 40.253 0.412 81 HB1 ALA 13 1HB ALA 13 119.283 41.557 -1.508 82 HB2 ALA 13 2HB ALA 13 118.398 40.392 -2.494 83 HB3 ALA 13 3HB ALA 13 117.542 41.364 -1.297 84 H ASN 14 H ASN 14 117.206 40.244 1.513 85 HA ASN 14 HA ASN 14 115.175 38.282 0.681 86 HB2 ASN 14 1HB ASN 14 116.368 38.695 3.420 87 HB3 ASN 14 2HB ASN 14 114.817 37.894 3.184 88 HD21 ASN 14 2HD2 ASN 14 114.832 36.034 1.675 89 HD22 ASN 14 1HD2 ASN 14 116.211 34.994 1.696 90 H VAL 15 H VAL 15 113.158 39.045 0.610 91 HA VAL 15 HA VAL 15 112.628 41.658 1.866 92 HB VAL 15 HB VAL 15 110.769 41.822 0.140 93 HG11 VAL 15 1HG1 VAL 15 112.143 42.951 -1.319 94 HG12 VAL 15 2HG1 VAL 15 113.179 42.843 0.106 95 HG13 VAL 15 3HG1 VAL 15 113.411 41.728 -1.241 96 HG21 VAL 15 3HG2 VAL 15 112.344 39.580 -1.122 97 HG22 VAL 15 1HG2 VAL 15 110.697 39.473 -0.501 98 HG23 VAL 15 2HG2 VAL 15 111.048 40.490 -1.899 99 HA PRO 16 HA PRO 16 109.441 39.906 4.326 100 HB2 PRO 16 1HB PRO 16 107.667 41.958 4.432 101 HB3 PRO 16 2HB PRO 16 109.212 41.978 5.292 102 HG2 PRO 16 1HG PRO 16 108.478 43.256 2.686 103 HG3 PRO 16 2HG PRO 16 109.425 43.920 4.030 104 HD2 PRO 16 1HD PRO 16 110.575 42.921 1.792 105 HD3 PRO 16 2HD PRO 16 111.344 42.817 3.388 106 H LEU 17 H LEU 17 107.553 38.773 4.148 107 HA LEU 17 HA LEU 17 105.839 39.241 1.823 108 HB2 LEU 17 1HB LEU 17 105.758 36.803 1.383 109 HB3 LEU 17 2HB LEU 17 107.323 37.542 1.050 110 HG LEU 17 HG LEU 17 107.879 36.684 3.475 111 HD11 LEU 17 1HD1 LEU 17 106.421 34.279 3.026 112 HD12 LEU 17 2HD1 LEU 17 105.289 35.630 3.086 113 HD13 LEU 17 3HD1 LEU 17 106.395 35.347 4.430 114 HD21 LEU 17 3HD2 LEU 17 108.933 36.027 1.304 115 HD22 LEU 17 1HD2 LEU 17 107.727 34.746 1.174 116 HD23 LEU 17 2HD2 LEU 17 108.876 34.742 2.512 117 H SER 18 H SER 18 103.699 38.561 2.071 118 HA SER 18 HA SER 18 102.928 37.345 4.611 119 HB2 SER 18 1HB SER 18 102.214 40.119 3.732 120 HB3 SER 18 2HB SER 18 101.051 39.186 4.673 121 HG SER 18 HG SER 18 103.273 40.461 5.502 122 H ARG 19 H ARG 19 101.085 36.136 4.504 123 HA ARG 19 HA ARG 19 99.176 36.385 2.395 124 HB2 ARG 19 1HB ARG 19 99.583 34.181 1.359 125 HB3 ARG 19 2HB ARG 19 100.921 35.294 1.107 126 HG2 ARG 19 1HG ARG 19 102.075 33.417 1.667 127 HG3 ARG 19 2HG ARG 19 101.859 34.120 3.271 128 HD2 ARG 19 1HD ARG 19 100.232 32.591 3.866 129 HD3 ARG 19 2HD ARG 19 99.805 32.241 2.192 130 HE ARG 19 HE ARG 19 101.373 30.587 2.195 131 HH11 ARG 19 1HH1 ARG 19 102.078 32.794 4.793 132 HH12 ARG 19 2HH1 ARG 19 103.367 31.831 5.436 133 HH21 ARG 19 1HH2 ARG 19 103.068 29.310 3.031 134 HH22 ARG 19 2HH2 ARG 19 103.930 29.850 4.432 135 H SER 20 H SER 20 97.516 34.634 2.507 136 HA SER 20 HA SER 20 97.117 33.885 5.308 137 HB2 SER 20 1HB SER 20 95.283 34.294 2.969 138 HB3 SER 20 2HB SER 20 94.751 33.314 4.335 139 HG SER 20 HG SER 20 95.038 35.077 5.680 140 H LYS 21 H LYS 21 95.894 31.772 5.635 141 HA LYS 21 HA LYS 21 96.510 29.683 3.721 142 HB2 LYS 21 1HB LYS 21 97.757 28.316 5.330 143 HB3 LYS 21 2HB LYS 21 98.588 29.830 5.000 144 HG2 LYS 21 1HG LYS 21 97.335 30.659 7.130 145 HG3 LYS 21 2HG LYS 21 97.196 28.934 7.479 146 HD2 LYS 21 1HD LYS 21 99.860 29.990 6.685 147 HD3 LYS 21 2HD LYS 21 99.267 30.367 8.304 148 HE2 LYS 21 1HE LYS 21 100.524 28.376 8.511 149 HE3 LYS 21 2HE LYS 21 98.829 27.895 8.583 150 HZ1 LYS 21 3HZ LYS 21 99.077 26.637 6.789 151 HZ2 LYS 21 1HZ LYS 21 100.746 26.888 6.902 152 HZ3 LYS 21 2HZ LYS 21 99.807 27.883 5.908 153 H ARG 22 H ARG 22 94.969 28.167 3.726 154 HA ARG 22 HA ARG 22 93.323 27.831 6.136 155 HB2 ARG 22 1HB ARG 22 92.434 28.544 3.378 156 HB3 ARG 22 2HB ARG 22 91.413 27.480 4.335 157 HG2 ARG 22 1HG ARG 22 92.382 30.030 5.532 158 HG3 ARG 22 2HG ARG 22 91.050 30.061 4.375 159 HD2 ARG 22 1HD ARG 22 89.984 29.877 6.439 160 HD3 ARG 22 2HD ARG 22 90.009 28.222 5.831 161 HE ARG 22 HE ARG 22 91.380 27.642 7.570 162 HH11 ARG 22 1HH1 ARG 22 91.335 31.109 7.259 163 HH12 ARG 22 2HH1 ARG 22 92.219 31.383 8.724 164 HH21 ARG 22 1HH2 ARG 22 92.544 27.989 9.500 165 HH22 ARG 22 2HH2 ARG 22 92.907 29.607 9.997 166 HA PRO 23 HA PRO 23 94.829 23.792 4.351 167 HB2 PRO 23 1HB PRO 23 95.803 22.832 6.696 168 HB3 PRO 23 2HB PRO 23 96.758 23.836 5.598 169 HG2 PRO 23 1HG PRO 23 95.288 24.619 8.085 170 HG3 PRO 23 2HG PRO 23 96.902 25.108 7.540 171 HD2 PRO 23 1HD PRO 23 94.725 26.691 7.247 172 HD3 PRO 23 2HD PRO 23 96.069 26.693 6.088 173 H ASP 24 H ASP 24 93.145 22.474 4.081 174 HA ASP 24 HA ASP 24 91.213 22.102 6.234 175 HB2 ASP 24 1HB ASP 24 89.878 20.918 4.505 176 HB3 ASP 24 2HB ASP 24 90.297 22.564 4.038 177 H PHE 25 H PHE 25 90.261 19.705 6.150 178 HA PHE 25 HA PHE 25 92.068 17.574 5.736 179 HB2 PHE 25 1HB PHE 25 92.954 18.891 7.838 180 HB3 PHE 25 2HB PHE 25 91.660 18.029 8.665 181 HD1 PHE 25 HD1 PHE 25 94.255 17.177 6.117 182 HD2 PHE 25 HD2 PHE 25 92.366 16.174 9.797 183 HE1 PHE 25 HE1 PHE 25 95.710 15.203 6.322 184 HE2 PHE 25 HE2 PHE 25 93.818 14.199 10.008 185 HZ PHE 25 HZ PHE 25 95.494 13.712 8.270 186 H GLY 26 H GLY 26 91.262 15.522 6.856 187 HA2 GLY 26 1HA GLY 26 88.311 15.632 6.929 188 HA3 GLY 26 2HA GLY 26 89.238 14.257 6.346 189 H GLN 27 H GLN 27 88.837 16.228 9.287 190 HA GLN 27 HA GLN 27 89.006 13.732 10.843 191 HB2 GLN 27 1HB GLN 27 90.276 16.391 11.281 192 HB3 GLN 27 2HB GLN 27 89.753 15.486 12.695 193 HG2 GLN 27 1HG GLN 27 91.150 13.623 12.073 194 HG3 GLN 27 2HG GLN 27 91.605 14.429 10.572 195 HE21 GLN 27 2HE2 GLN 27 93.497 13.532 12.349 196 HE22 GLN 27 1HE2 GLN 27 94.298 14.883 13.068 197 H ARG 28 H ARG 28 87.907 13.875 12.987 198 HA ARG 28 HA ARG 28 85.329 15.218 12.644 199 HB2 ARG 28 1HB ARG 28 84.530 13.695 14.404 200 HB3 ARG 28 2HB ARG 28 85.245 12.820 13.056 201 HG2 ARG 28 1HG ARG 28 87.334 12.600 14.365 202 HG3 ARG 28 2HG ARG 28 86.517 13.367 15.728 203 HD2 ARG 28 1HD ARG 28 86.306 11.088 16.168 204 HD3 ARG 28 2HD ARG 28 84.755 11.521 15.450 205 HE ARG 28 HE ARG 28 86.650 10.586 13.519 206 HH11 ARG 28 1HH1 ARG 28 84.309 9.597 15.899 207 HH12 ARG 28 2HH1 ARG 28 84.001 8.066 15.150 208 HH21 ARG 28 1HH2 ARG 28 86.253 8.572 12.524 209 HH22 ARG 28 2HH2 ARG 28 85.108 7.483 13.230 210 H ARG 29 H ARG 29 87.774 16.619 13.503 211 HA ARG 29 HA ARG 29 87.626 17.126 16.297 212 HB2 ARG 29 1HB ARG 29 89.540 17.585 14.540 213 HB3 ARG 29 2HB ARG 29 88.737 19.142 14.391 214 HG2 ARG 29 1HG ARG 29 89.317 19.803 16.497 215 HG3 ARG 29 2HG ARG 29 89.385 18.151 17.115 216 HD2 ARG 29 1HD ARG 29 91.434 17.816 15.701 217 HD3 ARG 29 2HD ARG 29 91.401 19.547 15.365 218 HE ARG 29 HE ARG 29 92.250 19.927 17.453 219 HH11 ARG 29 1HH1 ARG 29 90.989 16.685 17.317 220 HH12 ARG 29 2HH1 ARG 29 91.606 16.240 18.873 221 HH21 ARG 29 1HH2 ARG 29 93.068 19.353 19.504 222 HH22 ARG 29 2HH2 ARG 29 92.788 17.759 20.117 223 H ILE 30 H ILE 30 87.247 19.407 17.130 224 HA ILE 30 HA ILE 30 84.578 20.103 16.838 225 HB ILE 30 HB ILE 30 86.814 21.929 17.727 226 HG12 ILE 30 1HG1 ILE 30 86.773 19.808 18.980 227 HG13 ILE 30 2HG1 ILE 30 86.291 21.165 19.993 228 HG21 ILE 30 1HG2 ILE 30 85.235 23.471 17.952 229 HG22 ILE 30 2HG2 ILE 30 83.997 22.333 17.424 230 HG23 ILE 30 3HG2 ILE 30 84.432 22.433 19.130 231 HD11 ILE 30 3HD1 ILE 30 84.933 19.121 20.315 232 HD12 ILE 30 1HD1 ILE 30 83.991 20.535 19.843 233 HD13 ILE 30 2HD1 ILE 30 84.363 19.286 18.654 234 H ARG 31 H ARG 31 83.449 21.433 15.534 235 HA ARG 31 HA ARG 31 84.841 22.534 13.223 236 HB2 ARG 31 1HB ARG 31 82.576 22.870 12.302 237 HB3 ARG 31 2HB ARG 31 82.857 21.203 12.789 238 HG2 ARG 31 1HG ARG 31 81.613 21.602 14.858 239 HG3 ARG 31 2HG ARG 31 81.320 23.267 14.353 240 HD2 ARG 31 1HD ARG 31 80.285 22.232 12.244 241 HD3 ARG 31 2HD ARG 31 80.265 20.724 13.158 242 HE ARG 31 HE ARG 31 79.079 22.730 14.713 243 HH11 ARG 31 1HH1 ARG 31 78.486 20.914 11.802 244 HH12 ARG 31 2HH1 ARG 31 76.761 21.007 11.940 245 HH21 ARG 31 1HH2 ARG 31 76.810 22.859 14.906 246 HH22 ARG 31 2HH2 ARG 31 75.809 22.114 13.706 247 H ARG 32 H ARG 32 84.957 24.674 12.716 248 HA ARG 32 HA ARG 32 84.461 26.540 14.875 249 HB2 ARG 32 1HB ARG 32 85.998 26.563 12.333 250 HB3 ARG 32 2HB ARG 32 85.413 28.113 12.924 251 HG2 ARG 32 1HG ARG 32 86.499 27.504 15.139 252 HG3 ARG 32 2HG ARG 32 87.303 26.204 14.258 253 HD2 ARG 32 1HD ARG 32 88.872 27.862 14.070 254 HD3 ARG 32 2HD ARG 32 87.930 28.149 12.608 255 HE ARG 32 HE ARG 32 87.342 30.178 13.459 256 HH11 ARG 32 1HH1 ARG 32 88.350 28.127 16.085 257 HH12 ARG 32 2HH1 ARG 32 88.235 29.377 17.278 258 HH21 ARG 32 1HH2 ARG 32 87.188 31.833 15.021 259 HH22 ARG 32 2HH2 ARG 32 87.573 31.485 16.672 260 HA PRO 33 HA PRO 33 80.754 28.367 13.404 261 HB2 PRO 33 1HB PRO 33 81.169 31.007 13.883 262 HB3 PRO 33 2HB PRO 33 80.884 29.830 15.171 263 HG2 PRO 33 1HG PRO 33 83.469 30.983 14.197 264 HG3 PRO 33 2HG PRO 33 82.927 30.699 15.861 265 HD2 PRO 33 1HD PRO 33 84.626 29.027 14.577 266 HD3 PRO 33 2HD PRO 33 83.456 28.457 15.784 267 H PHE 34 H PHE 34 80.057 30.531 12.125 268 HA PHE 34 HA PHE 34 81.676 30.550 9.664 269 HB2 PHE 34 1HB PHE 34 78.704 31.052 9.897 270 HB3 PHE 34 2HB PHE 34 79.637 30.917 8.410 271 HD1 PHE 34 HD2 PHE 34 81.302 28.563 8.973 272 HD2 PHE 34 HD1 PHE 34 77.195 29.298 9.811 273 HE1 PHE 34 HE2 PHE 34 80.862 26.144 8.917 274 HE2 PHE 34 HE1 PHE 34 76.747 26.879 9.758 275 HZ PHE 34 HZ PHE 34 78.582 25.299 9.309 276 H THR 35 H THR 35 81.500 32.555 8.365 277 HA THR 35 HA THR 35 81.521 34.895 10.141 278 HB THR 35 HB THR 35 82.624 34.992 7.364 279 HG1 THR 35 HG1 THR 35 83.641 33.168 8.112 280 HG21 THR 35 3HG2 THR 35 83.131 37.022 8.158 281 HG22 THR 35 1HG2 THR 35 84.348 36.219 9.148 282 HG23 THR 35 2HG2 THR 35 82.750 36.553 9.814 283 H VAL 36 H VAL 36 80.547 36.854 9.486 284 HA VAL 36 HA VAL 36 78.006 36.663 8.390 285 HB VAL 36 HB VAL 36 78.627 38.550 9.769 286 HG11 VAL 36 1HG1 VAL 36 80.350 39.501 7.485 287 HG12 VAL 36 2HG1 VAL 36 80.138 40.274 9.057 288 HG13 VAL 36 3HG1 VAL 36 80.967 38.721 8.941 289 HG21 VAL 36 3HG2 VAL 36 77.176 38.709 7.375 290 HG22 VAL 36 1HG2 VAL 36 77.045 39.762 8.784 291 HG23 VAL 36 2HG2 VAL 36 78.130 40.190 7.461 292 H ALA 37 H ALA 37 81.072 37.447 6.837 293 HA ALA 37 HA ALA 37 79.927 38.140 4.316 294 HB1 ALA 37 1HB ALA 37 82.093 38.439 3.559 295 HB2 ALA 37 2HB ALA 37 82.251 38.747 5.289 296 HB3 ALA 37 3HB ALA 37 82.747 37.192 4.622 297 H GLU 38 H GLU 38 81.589 35.239 5.538 298 HA GLU 38 HA GLU 38 81.444 33.725 3.193 299 HB2 GLU 38 1HB GLU 38 81.759 33.091 6.090 300 HB3 GLU 38 2HB GLU 38 81.395 31.770 4.988 301 HG2 GLU 38 1HG GLU 38 83.765 31.915 5.288 302 HG3 GLU 38 2HG GLU 38 83.364 32.395 3.640 303 H VAL 39 H VAL 39 79.228 33.815 5.975 304 HA VAL 39 HA VAL 39 77.382 31.945 4.964 305 HB VAL 39 HB VAL 39 76.910 34.213 6.904 306 HG11 VAL 39 1HG1 VAL 39 74.961 32.927 7.635 307 HG12 VAL 39 2HG1 VAL 39 74.822 33.400 5.941 308 HG13 VAL 39 3HG1 VAL 39 75.263 31.744 6.362 309 HG21 VAL 39 3HG2 VAL 39 78.294 31.690 7.132 310 HG22 VAL 39 1HG2 VAL 39 78.180 33.019 8.286 311 HG23 VAL 39 2HG2 VAL 39 76.932 31.774 8.249 312 H GLU 40 H GLU 40 77.532 35.476 4.734 313 HA GLU 40 HA GLU 40 75.066 35.930 3.521 314 HB2 GLU 40 1HB GLU 40 77.660 37.381 3.625 315 HB3 GLU 40 2HB GLU 40 76.501 37.887 2.404 316 HG2 GLU 40 1HG GLU 40 74.880 38.436 4.036 317 HG3 GLU 40 2HG GLU 40 75.800 37.643 5.314 318 H LEU 41 H LEU 41 78.240 35.436 1.979 319 HA LEU 41 HA LEU 41 77.349 35.537 -0.671 320 HB2 LEU 41 1HB LEU 41 79.679 34.078 0.559 321 HB3 LEU 41 2HB LEU 41 79.423 34.235 -1.178 322 HG LEU 41 HG LEU 41 79.583 36.700 0.498 323 HD11 LEU 41 1HD1 LEU 41 81.871 36.700 0.668 324 HD12 LEU 41 2HD1 LEU 41 82.080 35.532 -0.635 325 HD13 LEU 41 3HD1 LEU 41 81.517 34.995 0.947 326 HD21 LEU 41 3HD2 LEU 41 78.983 36.654 -1.959 327 HD22 LEU 41 1HD2 LEU 41 80.643 36.139 -2.260 328 HD23 LEU 41 2HD2 LEU 41 80.328 37.703 -1.507 329 H LEU 42 H LEU 42 77.818 32.744 1.478 330 HA LEU 42 HA LEU 42 77.097 30.747 -0.335 331 HB2 LEU 42 1HB LEU 42 78.143 30.138 1.705 332 HB3 LEU 42 2HB LEU 42 76.878 30.910 2.659 333 HG LEU 42 HG LEU 42 76.974 28.316 2.465 334 HD11 LEU 42 1HD1 LEU 42 75.065 30.077 3.203 335 HD12 LEU 42 2HD1 LEU 42 74.878 28.325 3.276 336 HD13 LEU 42 3HD1 LEU 42 74.234 29.223 1.902 337 HD21 LEU 42 3HD2 LEU 42 76.146 27.306 0.596 338 HD22 LEU 42 1HD2 LEU 42 76.923 28.700 -0.153 339 HD23 LEU 42 2HD2 LEU 42 75.182 28.707 0.128 340 H VAL 43 H VAL 43 75.063 32.254 2.181 341 HA VAL 43 HA VAL 43 72.660 31.048 1.538 342 HB VAL 43 HB VAL 43 73.088 33.863 2.550 343 HG11 VAL 43 1HG1 VAL 43 70.671 32.750 3.496 344 HG12 VAL 43 2HG1 VAL 43 70.889 34.138 2.428 345 HG13 VAL 43 3HG1 VAL 43 70.702 32.520 1.749 346 HG21 VAL 43 3HG2 VAL 43 73.114 33.024 4.700 347 HG22 VAL 43 1HG2 VAL 43 72.296 31.531 4.240 348 HG23 VAL 43 2HG2 VAL 43 73.992 31.773 3.821 349 H GLU 44 H GLU 44 74.141 33.935 0.134 350 HA GLU 44 HA GLU 44 71.917 34.567 -1.538 351 HB2 GLU 44 1HB GLU 44 73.445 36.322 -0.941 352 HB3 GLU 44 2HB GLU 44 74.809 35.430 -1.601 353 HG2 GLU 44 1HG GLU 44 73.924 35.684 -3.843 354 HG3 GLU 44 2HG GLU 44 72.507 36.517 -3.206 355 H ALA 45 H ALA 45 74.697 32.501 -1.823 356 HA ALA 45 HA ALA 45 74.581 32.206 -4.668 357 HB1 ALA 45 1HB ALA 45 75.843 29.959 -3.473 358 HB2 ALA 45 2HB ALA 45 76.583 31.318 -4.321 359 HB3 ALA 45 3HB ALA 45 76.321 31.403 -2.579 360 H VAL 46 H VAL 46 73.600 30.148 -1.932 361 HA VAL 46 HA VAL 46 72.433 28.138 -3.579 362 HB VAL 46 HB VAL 46 73.122 27.447 -1.422 363 HG11 VAL 46 1HG1 VAL 46 73.180 28.932 0.230 364 HG12 VAL 46 2HG1 VAL 46 72.045 29.990 -0.610 365 HG13 VAL 46 3HG1 VAL 46 71.444 28.697 0.429 366 HG21 VAL 46 3HG2 VAL 46 71.344 26.151 -0.916 367 HG22 VAL 46 1HG2 VAL 46 70.247 27.525 -0.782 368 HG23 VAL 46 2HG2 VAL 46 70.661 26.880 -2.370 369 H GLU 47 H GLU 47 71.263 31.073 -2.087 370 HA GLU 47 HA GLU 47 68.486 30.501 -2.408 371 HB2 GLU 47 1HB GLU 47 69.119 32.107 -0.750 372 HB3 GLU 47 2HB GLU 47 69.998 33.068 -1.931 373 HG2 GLU 47 1HG GLU 47 67.869 33.575 -3.061 374 HG3 GLU 47 2HG GLU 47 67.017 32.678 -1.806 375 H HIS 48 H HIS 48 70.838 32.417 -4.249 376 HA HIS 48 HA HIS 48 69.199 33.514 -6.167 377 HB2 HIS 48 1HB HIS 48 71.662 33.915 -5.906 378 HB3 HIS 48 2HB HIS 48 71.946 32.374 -6.711 379 HD1 HIS 48 HD1 HIS 48 70.134 35.640 -7.454 380 HD2 HIS 48 HD2 HIS 48 72.235 32.621 -9.386 381 HE1 HIS 48 HE1 HIS 48 70.299 36.366 -9.856 382 H LEU 49 H LEU 49 70.251 30.211 -5.834 383 HA LEU 49 HA LEU 49 68.961 29.525 -8.386 384 HB2 LEU 49 1HB LEU 49 70.726 27.750 -6.719 385 HB3 LEU 49 2HB LEU 49 70.221 27.508 -8.390 386 HG LEU 49 HG LEU 49 71.862 29.906 -7.727 387 HD11 LEU 49 1HD1 LEU 49 73.332 28.510 -6.699 388 HD12 LEU 49 2HD1 LEU 49 73.820 28.239 -8.372 389 HD13 LEU 49 3HD1 LEU 49 72.759 27.084 -7.565 390 HD21 LEU 49 3HD2 LEU 49 71.505 28.079 -10.089 391 HD22 LEU 49 1HD2 LEU 49 72.799 29.274 -9.996 392 HD23 LEU 49 2HD2 LEU 49 71.114 29.795 -9.961 393 H GLY 50 H GLY 50 68.539 29.430 -5.029 394 HA2 GLY 50 1HA GLY 50 66.844 28.579 -3.731 395 HA3 GLY 50 2HA GLY 50 66.002 28.188 -5.223 396 H THR 51 H THR 51 65.733 26.107 -5.702 397 HA THR 51 HA THR 51 67.366 24.140 -4.236 398 HB THR 51 HB THR 51 65.128 23.908 -3.480 399 HG1 THR 51 HG1 THR 51 64.583 21.811 -4.398 400 HG21 THR 51 3HG2 THR 51 63.532 23.266 -5.652 401 HG22 THR 51 1HG2 THR 51 64.477 24.644 -6.214 402 HG23 THR 51 2HG2 THR 51 63.506 24.780 -4.749 403 H GLY 52 H GLY 52 68.894 24.424 -6.070 404 HA2 GLY 52 1HA GLY 52 68.086 22.694 -8.325 405 HA3 GLY 52 2HA GLY 52 69.042 24.148 -8.572 406 H ARG 53 H ARG 53 71.029 23.555 -9.127 407 HA ARG 53 HA ARG 53 72.207 21.133 -8.043 408 HB2 ARG 53 1HB ARG 53 72.455 22.545 -10.453 409 HB3 ARG 53 2HB ARG 53 74.007 22.727 -9.647 410 HG2 ARG 53 1HG ARG 53 73.838 20.159 -9.304 411 HG3 ARG 53 2HG ARG 53 72.656 20.248 -10.612 412 HD2 ARG 53 1HD ARG 53 74.786 21.798 -11.492 413 HD3 ARG 53 2HD ARG 53 75.546 20.414 -10.708 414 HE ARG 53 HE ARG 53 74.859 19.118 -12.454 415 HH11 ARG 53 1HH1 ARG 53 72.926 22.013 -12.387 416 HH12 ARG 53 2HH1 ARG 53 72.103 21.654 -13.869 417 HH21 ARG 53 1HH2 ARG 53 73.783 18.634 -14.406 418 HH22 ARG 53 2HH2 ARG 53 72.591 19.731 -15.016 419 H TRP 54 H TRP 54 73.997 21.029 -6.728 420 HA TRP 54 HA TRP 54 74.401 23.217 -4.949 421 HB2 TRP 54 1HB TRP 54 76.202 20.811 -5.153 422 HB3 TRP 54 2HB TRP 54 75.822 21.777 -3.730 423 HD1 TRP 54 HD1 TRP 54 72.853 21.687 -3.370 424 HE1 TRP 54 HE1 TRP 54 71.522 19.502 -3.091 425 HE3 TRP 54 HE3 TRP 54 76.185 18.433 -5.479 426 HZ2 TRP 54 HZ2 TRP 54 71.843 16.761 -3.686 427 HZ3 TRP 54 HZ3 TRP 54 75.596 16.046 -5.585 428 HH2 TRP 54 HH2 TRP 54 73.470 15.229 -4.706 429 H ARG 55 H ARG 55 76.405 21.700 -7.459 430 HA ARG 55 HA ARG 55 78.713 23.206 -7.136 431 HB2 ARG 55 1HB ARG 55 78.685 21.287 -8.594 432 HB3 ARG 55 2HB ARG 55 77.495 22.045 -9.643 433 HG2 ARG 55 1HG ARG 55 79.560 22.228 -10.754 434 HG3 ARG 55 2HG ARG 55 79.217 23.832 -10.101 435 HD2 ARG 55 1HD ARG 55 80.601 22.912 -8.053 436 HD3 ARG 55 2HD ARG 55 81.270 21.838 -9.281 437 HE ARG 55 HE ARG 55 81.744 24.661 -8.999 438 HH11 ARG 55 1HH1 ARG 55 81.755 21.952 -11.186 439 HH12 ARG 55 2HH1 ARG 55 82.896 22.669 -12.275 440 HH21 ARG 55 1HH2 ARG 55 83.247 25.616 -10.425 441 HH22 ARG 55 2HH2 ARG 55 83.744 24.753 -11.841 442 H ASP 56 H ASP 56 75.655 24.086 -8.512 443 HA ASP 56 HA ASP 56 76.553 26.352 -9.984 444 HB2 ASP 56 1HB ASP 56 74.347 25.089 -10.265 445 HB3 ASP 56 2HB ASP 56 73.780 25.986 -8.859 446 H VAL 57 H VAL 57 75.511 25.819 -6.681 447 HA VAL 57 HA VAL 57 75.281 28.587 -6.004 448 HB VAL 57 HB VAL 57 74.644 27.909 -3.932 449 HG11 VAL 57 1HG1 VAL 57 73.353 25.950 -4.047 450 HG12 VAL 57 2HG1 VAL 57 73.457 26.524 -5.713 451 HG13 VAL 57 3HG1 VAL 57 74.467 25.181 -5.176 452 HG21 VAL 57 3HG2 VAL 57 76.743 25.762 -4.143 453 HG22 VAL 57 1HG2 VAL 57 76.741 27.184 -3.101 454 HG23 VAL 57 2HG2 VAL 57 75.607 25.868 -2.798 455 H LYS 58 H LYS 58 77.833 26.180 -5.845 456 HA LYS 58 HA LYS 58 79.614 27.798 -4.291 457 HB2 LYS 58 1HB LYS 58 81.126 26.042 -4.448 458 HB3 LYS 58 2HB LYS 58 79.579 25.216 -4.584 459 HG2 LYS 58 1HG LYS 58 79.848 24.812 -6.851 460 HG3 LYS 58 2HG LYS 58 81.056 26.086 -7.035 461 HD2 LYS 58 1HD LYS 58 82.089 23.879 -7.149 462 HD3 LYS 58 2HD LYS 58 82.649 24.764 -5.729 463 HE2 LYS 58 1HE LYS 58 81.693 23.314 -4.292 464 HE3 LYS 58 2HE LYS 58 80.266 23.094 -5.304 465 HZ1 LYS 58 3HZ LYS 58 82.712 21.969 -6.369 466 HZ2 LYS 58 1HZ LYS 58 81.153 21.314 -6.310 467 HZ3 LYS 58 2HZ LYS 58 82.155 21.237 -4.949 468 H PHE 59 H PHE 59 78.936 27.377 -7.678 469 HA PHE 59 HA PHE 59 81.330 28.760 -8.532 470 HB2 PHE 59 1HB PHE 59 80.542 27.035 -9.993 471 HB3 PHE 59 2HB PHE 59 78.919 27.717 -10.021 472 HD1 PHE 59 HD2 PHE 59 82.422 28.732 -10.810 473 HD2 PHE 59 HD1 PHE 59 78.305 28.917 -11.873 474 HE1 PHE 59 HE2 PHE 59 83.004 30.021 -12.824 475 HE2 PHE 59 HE1 PHE 59 78.880 30.205 -13.889 476 HZ PHE 59 HZ PHE 59 81.232 30.760 -14.366 477 H ARG 60 H ARG 60 77.847 29.410 -8.397 478 HA ARG 60 HA ARG 60 77.913 31.961 -9.564 479 HB2 ARG 60 1HB ARG 60 75.842 30.678 -9.245 480 HB3 ARG 60 2HB ARG 60 75.989 30.869 -7.503 481 HG2 ARG 60 1HG ARG 60 74.381 32.438 -8.282 482 HG3 ARG 60 2HG ARG 60 75.833 33.334 -7.830 483 HD2 ARG 60 1HD ARG 60 75.461 32.434 -10.654 484 HD3 ARG 60 2HD ARG 60 74.604 33.861 -10.073 485 HE ARG 60 HE ARG 60 77.206 34.263 -9.337 486 HH11 ARG 60 1HH1 ARG 60 75.548 33.637 -12.333 487 HH12 ARG 60 2HH1 ARG 60 76.689 34.512 -13.299 488 HH21 ARG 60 1HH2 ARG 60 78.716 35.418 -10.597 489 HH22 ARG 60 2HH2 ARG 60 78.491 35.524 -12.311 490 H ALA 61 H ALA 61 78.789 30.857 -6.411 491 HA ALA 61 HA ALA 61 78.735 33.526 -5.256 492 HB1 ALA 61 1HB ALA 61 78.230 32.216 -3.509 493 HB2 ALA 61 2HB ALA 61 78.968 30.789 -4.237 494 HB3 ALA 61 3HB ALA 61 79.974 31.970 -3.398 495 H PHE 62 H PHE 62 81.284 31.067 -5.029 496 HA PHE 62 HA PHE 62 83.231 32.530 -6.467 497 HB2 PHE 62 1HB PHE 62 82.879 33.197 -3.637 498 HB3 PHE 62 2HB PHE 62 84.527 32.730 -4.042 499 HD1 PHE 62 HD2 PHE 62 85.349 33.840 -6.363 500 HD2 PHE 62 HD1 PHE 62 82.407 35.430 -3.730 501 HE1 PHE 62 HE2 PHE 62 85.767 36.091 -7.261 502 HE2 PHE 62 HE1 PHE 62 82.820 37.684 -4.625 503 HZ PHE 62 HZ PHE 62 84.502 38.018 -6.392 504 H GLU 63 H GLU 63 84.223 30.823 -7.319 505 HA GLU 63 HA GLU 63 84.499 28.338 -5.917 506 HB2 GLU 63 1HB GLU 63 85.528 27.510 -7.917 507 HB3 GLU 63 2HB GLU 63 84.172 28.525 -8.388 508 HG2 GLU 63 1HG GLU 63 85.746 29.260 -9.853 509 HG3 GLU 63 2HG GLU 63 86.025 30.380 -8.520 510 H ASN 64 H ASN 64 86.154 31.178 -5.692 511 HA ASN 64 HA ASN 64 88.689 29.835 -5.025 512 HB2 ASN 64 1HB ASN 64 88.581 31.708 -6.825 513 HB3 ASN 64 2HB ASN 64 88.434 32.799 -5.451 514 HD21 ASN 64 2HD2 ASN 64 90.194 33.256 -4.236 515 HD22 ASN 64 1HD2 ASN 64 91.782 32.667 -4.578 516 H VAL 65 H VAL 65 86.006 31.502 -3.770 517 HA VAL 65 HA VAL 65 87.419 32.218 -1.301 518 HB VAL 65 HB VAL 65 84.569 32.871 -2.051 519 HG11 VAL 65 1HG1 VAL 65 85.724 34.747 -0.278 520 HG12 VAL 65 2HG1 VAL 65 84.403 33.619 0.032 521 HG13 VAL 65 3HG1 VAL 65 86.069 33.138 0.357 522 HG21 VAL 65 3HG2 VAL 65 86.124 33.859 -3.662 523 HG22 VAL 65 1HG2 VAL 65 85.381 35.094 -2.646 524 HG23 VAL 65 2HG2 VAL 65 87.040 34.580 -2.339 525 H HIS 66 H HIS 66 87.475 30.690 0.205 526 HA HIS 66 HA HIS 66 86.920 28.886 1.486 527 HB2 HIS 66 1HB HIS 66 84.373 30.459 1.294 528 HB3 HIS 66 2HB HIS 66 84.397 28.930 2.167 529 HD1 HIS 66 HD1 HIS 66 85.230 28.992 4.520 530 HD2 HIS 66 HD2 HIS 66 86.207 32.432 2.406 531 HE1 HIS 66 HE1 HIS 66 86.217 30.565 6.216 532 H HIS 67 H HIS 67 87.090 28.256 -1.213 533 HA HIS 67 HA HIS 67 84.803 26.773 -2.082 534 HB2 HIS 67 1HB HIS 67 86.374 27.718 -3.700 535 HB3 HIS 67 2HB HIS 67 87.669 26.715 -3.051 536 HD1 HIS 67 HD1 HIS 67 84.445 24.984 -3.360 537 HD2 HIS 67 HD2 HIS 67 87.802 25.629 -5.721 538 HE1 HIS 67 HE1 HIS 67 84.287 23.305 -5.226 539 H ARG 68 H ARG 68 84.576 25.571 -0.018 540 HA ARG 68 HA ARG 68 86.501 23.501 0.546 541 HB2 ARG 68 1HB ARG 68 85.359 24.448 2.423 542 HB3 ARG 68 2HB ARG 68 83.787 24.150 1.692 543 HG2 ARG 68 1HG ARG 68 84.275 22.574 3.492 544 HG3 ARG 68 2HG ARG 68 84.096 21.759 1.938 545 HD2 ARG 68 1HD ARG 68 86.224 21.045 1.933 546 HD3 ARG 68 2HD ARG 68 86.837 22.578 2.552 547 HE ARG 68 HE ARG 68 86.287 20.229 4.059 548 HH11 ARG 68 1HH1 ARG 68 86.242 23.706 4.208 549 HH12 ARG 68 2HH1 ARG 68 86.449 23.765 5.927 550 HH21 ARG 68 1HH2 ARG 68 86.561 20.293 6.323 551 HH22 ARG 68 2HH2 ARG 68 86.631 21.823 7.129 552 H THR 69 H THR 69 82.990 23.148 0.132 553 HA THR 69 HA THR 69 83.272 21.312 -2.061 554 HB THR 69 HB THR 69 82.226 20.182 0.539 555 HG1 THR 69 HG1 THR 69 84.683 19.551 -0.754 556 HG21 THR 69 3HG2 THR 69 82.259 18.060 -0.646 557 HG22 THR 69 1HG2 THR 69 82.902 18.848 -2.086 558 HG23 THR 69 2HG2 THR 69 81.272 19.226 -1.527 559 H TYR 70 H TYR 70 81.334 20.905 -3.108 560 HA TYR 70 HA TYR 70 79.346 22.793 -3.029 561 HB2 TYR 70 1HB TYR 70 77.955 21.186 -4.298 562 HB3 TYR 70 2HB TYR 70 79.605 21.268 -4.905 563 HD1 TYR 70 HD2 TYR 70 81.200 19.419 -4.375 564 HD2 TYR 70 HD1 TYR 70 77.055 19.158 -3.451 565 HE1 TYR 70 HE2 TYR 70 81.412 16.980 -4.143 566 HE2 TYR 70 HE1 TYR 70 77.255 16.718 -3.216 567 HH TYR 70 HH TYR 70 78.975 15.048 -2.758 568 H VAL 71 H VAL 71 79.377 19.637 -1.405 569 HA VAL 71 HA VAL 71 76.808 19.780 -0.286 570 HB VAL 71 HB VAL 71 78.046 17.689 -0.343 571 HG11 VAL 71 1HG1 VAL 71 80.220 19.083 0.380 572 HG12 VAL 71 2HG1 VAL 71 79.778 18.394 1.943 573 HG13 VAL 71 3HG1 VAL 71 80.086 17.335 0.567 574 HG21 VAL 71 3HG2 VAL 71 76.747 17.054 1.342 575 HG22 VAL 71 1HG2 VAL 71 77.944 17.657 2.489 576 HG23 VAL 71 2HG2 VAL 71 76.659 18.720 1.916 577 H ASP 72 H ASP 72 79.929 20.944 0.869 578 HA ASP 72 HA ASP 72 79.189 21.626 3.479 579 HB2 ASP 72 1HB ASP 72 81.431 22.089 1.729 580 HB3 ASP 72 2HB ASP 72 81.046 23.561 2.617 581 H LEU 73 H LEU 73 79.016 23.492 0.473 582 HA LEU 73 HA LEU 73 78.161 25.917 1.593 583 HB2 LEU 73 1HB LEU 73 77.776 24.692 -1.124 584 HB3 LEU 73 2HB LEU 73 77.173 26.298 -0.721 585 HG LEU 73 HG LEU 73 79.793 26.494 0.013 586 HD11 LEU 73 1HD1 LEU 73 80.457 25.474 -2.537 587 HD12 LEU 73 2HD1 LEU 73 79.617 24.198 -1.658 588 HD13 LEU 73 3HD1 LEU 73 81.050 24.953 -0.960 589 HD21 LEU 73 3HD2 LEU 73 78.436 28.079 -1.315 590 HD22 LEU 73 1HD2 LEU 73 78.675 27.054 -2.731 591 HD23 LEU 73 2HD2 LEU 73 80.058 27.841 -1.969 592 H LYS 74 H LYS 74 76.195 23.432 -0.052 593 HA LYS 74 HA LYS 74 73.704 24.527 0.572 594 HB2 LYS 74 1HB LYS 74 73.650 22.890 -1.081 595 HB3 LYS 74 2HB LYS 74 74.643 21.775 -0.151 596 HG2 LYS 74 1HG LYS 74 72.878 20.954 1.016 597 HG3 LYS 74 2HG LYS 74 71.985 22.476 0.953 598 HD2 LYS 74 1HD LYS 74 71.645 22.038 -1.508 599 HD3 LYS 74 2HD LYS 74 72.296 20.421 -1.228 600 HE2 LYS 74 1HE LYS 74 70.117 21.329 0.561 601 HE3 LYS 74 2HE LYS 74 69.685 20.978 -1.112 602 HZ1 LYS 74 3HZ LYS 74 69.410 18.965 -0.018 603 HZ2 LYS 74 1HZ LYS 74 70.803 19.154 0.923 604 HZ3 LYS 74 2HZ LYS 74 70.937 18.802 -0.726 605 H ASP 75 H ASP 75 75.768 22.324 2.381 606 HA ASP 75 HA ASP 75 73.874 21.690 4.395 607 HB2 ASP 75 1HB ASP 75 76.849 21.440 4.135 608 HB3 ASP 75 2HB ASP 75 76.091 21.174 5.703 609 H LYS 76 H LYS 76 76.312 24.209 4.056 610 HA LYS 76 HA LYS 76 76.235 25.222 6.667 611 HB2 LYS 76 1HB LYS 76 77.430 25.934 4.194 612 HB3 LYS 76 2HB LYS 76 76.602 27.362 4.800 613 HG2 LYS 76 1HG LYS 76 78.769 27.508 5.658 614 HG3 LYS 76 2HG LYS 76 77.790 26.923 7.005 615 HD2 LYS 76 1HD LYS 76 78.925 25.000 7.121 616 HD3 LYS 76 2HD LYS 76 78.858 24.763 5.373 617 HE2 LYS 76 1HE LYS 76 80.813 25.977 5.013 618 HE3 LYS 76 2HE LYS 76 80.714 26.783 6.578 619 HZ1 LYS 76 3HZ LYS 76 81.079 24.503 7.565 620 HZ2 LYS 76 1HZ LYS 76 82.408 25.200 6.785 621 HZ3 LYS 76 2HZ LYS 76 81.513 23.991 6.012 622 H TRP 77 H TRP 77 74.356 26.127 3.792 623 HA TRP 77 HA TRP 77 72.874 28.183 5.029 624 HB2 TRP 77 1HB TRP 77 72.459 28.443 2.836 625 HB3 TRP 77 2HB TRP 77 72.852 26.762 2.485 626 HD1 TRP 77 HD1 TRP 77 69.848 28.692 4.032 627 HE1 TRP 77 HE1 TRP 77 67.685 27.574 3.197 628 HE3 TRP 77 HE3 TRP 77 71.901 24.902 1.283 629 HZ2 TRP 77 HZ2 TRP 77 66.947 25.376 1.587 630 HZ3 TRP 77 HZ3 TRP 77 70.397 23.335 0.127 631 HH2 TRP 77 HH2 TRP 77 67.972 23.568 0.278 632 H LYS 78 H LYS 78 72.150 24.749 4.486 633 HA LYS 78 HA LYS 78 69.568 24.761 5.588 634 HB2 LYS 78 1HB LYS 78 70.340 22.908 4.235 635 HB3 LYS 78 2HB LYS 78 71.608 22.539 5.396 636 HG2 LYS 78 1HG LYS 78 69.842 20.956 5.666 637 HG3 LYS 78 2HG LYS 78 69.853 22.023 7.071 638 HD2 LYS 78 1HD LYS 78 67.934 23.163 6.364 639 HD3 LYS 78 2HD LYS 78 68.084 22.569 4.708 640 HE2 LYS 78 1HE LYS 78 67.598 20.286 5.527 641 HE3 LYS 78 2HE LYS 78 67.357 20.945 7.144 642 HZ1 LYS 78 3HZ LYS 78 65.310 20.577 5.710 643 HZ2 LYS 78 1HZ LYS 78 65.809 21.932 4.829 644 HZ3 LYS 78 2HZ LYS 78 65.451 22.079 6.475 645 H THR 79 H THR 79 72.713 24.010 7.062 646 HA THR 79 HA THR 79 71.760 23.385 9.624 647 HB THR 79 HB THR 79 74.434 24.631 8.962 648 HG1 THR 79 HG1 THR 79 74.944 22.209 9.086 649 HG21 THR 79 3HG2 THR 79 73.256 23.847 11.416 650 HG22 THR 79 1HG2 THR 79 74.909 24.385 11.123 651 HG23 THR 79 2HG2 THR 79 74.511 22.670 11.032 652 H LEU 80 H LEU 80 73.083 26.452 8.380 653 HA LEU 80 HA LEU 80 72.718 27.948 10.716 654 HB2 LEU 80 1HB LEU 80 73.489 29.677 9.510 655 HB3 LEU 80 2HB LEU 80 73.845 28.426 8.320 656 HG LEU 80 HG LEU 80 71.463 29.002 7.419 657 HD11 LEU 80 1HD1 LEU 80 70.431 30.818 8.184 658 HD12 LEU 80 2HD1 LEU 80 71.911 31.775 8.138 659 HD13 LEU 80 3HD1 LEU 80 71.555 30.769 9.542 660 HD21 LEU 80 3HD2 LEU 80 73.989 29.606 6.641 661 HD22 LEU 80 1HD2 LEU 80 73.290 31.218 6.799 662 HD23 LEU 80 2HD2 LEU 80 72.537 30.031 5.734 663 H VAL 81 H VAL 81 70.515 27.147 8.111 664 HA VAL 81 HA VAL 81 68.481 29.005 8.771 665 HB VAL 81 HB VAL 81 68.568 26.497 7.142 666 HG11 VAL 81 1HG1 VAL 81 66.092 27.939 8.052 667 HG12 VAL 81 2HG1 VAL 81 66.135 26.955 6.587 668 HG13 VAL 81 3HG1 VAL 81 66.457 26.217 8.157 669 HG21 VAL 81 3HG2 VAL 81 68.048 27.962 5.332 670 HG22 VAL 81 1HG2 VAL 81 67.656 29.280 6.437 671 HG23 VAL 81 2HG2 VAL 81 69.324 28.728 6.279 672 H HIS 82 H HIS 82 68.977 25.590 9.611 673 HA HIS 82 HA HIS 82 66.610 25.228 11.068 674 HB2 HIS 82 1HB HIS 82 68.234 23.440 10.282 675 HB3 HIS 82 2HB HIS 82 69.234 23.861 11.669 676 HD1 HIS 82 HD1 HIS 82 68.865 21.443 12.595 677 HD2 HIS 82 HD2 HIS 82 65.414 23.737 12.290 678 HE1 HIS 82 HE1 HIS 82 67.128 20.228 13.948 679 H THR 83 H THR 83 69.777 26.442 12.029 680 HA THR 83 HA THR 83 69.179 26.564 14.817 681 HB THR 83 HB THR 83 71.289 28.158 13.358 682 HG1 THR 83 HG1 THR 83 71.130 25.442 13.999 683 HG21 THR 83 3HG2 THR 83 72.411 28.266 15.446 684 HG22 THR 83 1HG2 THR 83 71.324 27.082 16.172 685 HG23 THR 83 2HG2 THR 83 70.731 28.694 15.769 686 H ALA 84 H ALA 84 68.769 28.726 12.108 687 HA ALA 84 HA ALA 84 68.146 31.003 13.789 688 HB1 ALA 84 1HB ALA 84 69.278 30.991 11.437 689 HB2 ALA 84 2HB ALA 84 67.614 30.951 10.853 690 HB3 ALA 84 3HB ALA 84 68.157 32.281 11.875 691 H SER 85 H SER 85 66.508 28.290 12.782 692 HA SER 85 HA SER 85 63.906 29.657 12.735 693 HB2 SER 85 1HB SER 85 64.681 27.993 10.884 694 HB3 SER 85 2HB SER 85 64.287 26.750 12.071 695 HG SER 85 HG SER 85 62.178 27.459 12.090 696 H ILE 86 H ILE 86 65.782 27.193 14.382 697 HA ILE 86 HA ILE 86 63.845 26.013 15.967 698 HB ILE 86 HB ILE 86 65.697 25.687 17.658 699 HG12 ILE 86 1HG1 ILE 86 67.380 27.020 15.528 700 HG13 ILE 86 2HG1 ILE 86 66.908 27.793 17.037 701 HG21 ILE 86 1HG2 ILE 86 66.041 23.830 16.495 702 HG22 ILE 86 2HG2 ILE 86 65.323 24.596 15.079 703 HG23 ILE 86 3HG2 ILE 86 67.060 24.709 15.356 704 HD11 ILE 86 3HD1 ILE 86 68.223 26.340 18.317 705 HD12 ILE 86 1HD1 ILE 86 68.416 25.204 16.982 706 HD13 ILE 86 2HD1 ILE 86 69.223 26.772 16.930 707 H ALA 87 H ALA 87 63.866 26.307 18.478 708 HA ALA 87 HA ALA 87 62.486 28.603 19.124 709 HB1 ALA 87 1HB ALA 87 63.654 27.881 21.517 710 HB2 ALA 87 2HB ALA 87 62.146 27.245 20.858 711 HB3 ALA 87 3HB ALA 87 63.661 26.384 20.583 712 HA PRO 88 HA PRO 88 65.347 31.875 19.723 713 HB2 PRO 88 1HB PRO 88 64.361 33.119 21.925 714 HB3 PRO 88 2HB PRO 88 63.569 33.189 20.347 715 HG2 PRO 88 1HG PRO 88 62.944 31.453 22.704 716 HG3 PRO 88 2HG PRO 88 61.834 32.328 21.633 717 HD2 PRO 88 1HD PRO 88 62.313 29.675 21.381 718 HD3 PRO 88 2HD PRO 88 61.948 30.715 19.990 719 H GLN 89 H GLN 89 64.754 29.737 22.432 720 HA GLN 89 HA GLN 89 67.050 30.664 23.920 721 HB2 GLN 89 1HB GLN 89 66.490 28.765 25.442 722 HB3 GLN 89 2HB GLN 89 65.166 29.895 25.194 723 HG2 GLN 89 1HG GLN 89 64.048 28.393 23.734 724 HG3 GLN 89 2HG GLN 89 65.444 27.319 23.673 725 HE21 GLN 89 2HE2 GLN 89 62.584 26.991 24.550 726 HE22 GLN 89 1HE2 GLN 89 62.696 26.279 26.120 727 H GLN 90 H GLN 90 66.365 28.291 21.520 728 HA GLN 90 HA GLN 90 68.826 26.818 22.072 729 HB2 GLN 90 1HB GLN 90 66.581 26.349 20.108 730 HB3 GLN 90 2HB GLN 90 68.029 25.354 20.187 731 HG2 GLN 90 1HG GLN 90 66.262 25.775 22.571 732 HG3 GLN 90 2HG GLN 90 65.950 24.511 21.383 733 HE21 GLN 90 2HE2 GLN 90 67.674 25.391 24.146 734 HE22 GLN 90 1HE2 GLN 90 68.708 24.011 24.244 735 H ARG 91 H ARG 91 67.373 28.898 19.628 736 HA ARG 91 HA ARG 91 69.250 28.655 17.600 737 HB2 ARG 91 1HB ARG 91 68.444 30.733 16.757 738 HB3 ARG 91 2HB ARG 91 67.077 29.925 17.513 739 HG2 ARG 91 1HG ARG 91 67.255 31.335 19.456 740 HG3 ARG 91 2HG ARG 91 68.723 32.079 18.820 741 HD2 ARG 91 1HD ARG 91 66.606 33.415 18.531 742 HD3 ARG 91 2HD ARG 91 67.538 33.131 17.061 743 HE ARG 91 HE ARG 91 65.535 31.143 17.437 744 HH11 ARG 91 1HH1 ARG 91 66.049 34.419 16.377 745 HH12 ARG 91 2HH1 ARG 91 64.673 34.432 15.325 746 HH21 ARG 91 1HH2 ARG 91 63.721 31.148 16.055 747 HH22 ARG 91 2HH2 ARG 91 63.348 32.572 15.143 748 H ARG 92 H ARG 92 69.483 30.262 20.664 749 HA ARG 92 HA ARG 92 71.486 32.116 20.217 750 HB2 ARG 92 1HB ARG 92 70.317 31.924 22.350 751 HB3 ARG 92 2HB ARG 92 71.068 30.361 22.643 752 HG2 ARG 92 1HG ARG 92 73.189 31.321 22.967 753 HG3 ARG 92 2HG ARG 92 72.679 32.866 22.282 754 HD2 ARG 92 1HD ARG 92 72.646 33.315 24.546 755 HD3 ARG 92 2HD ARG 92 70.969 32.866 24.239 756 HE ARG 92 HE ARG 92 72.242 30.533 24.945 757 HH11 ARG 92 1HH1 ARG 92 71.694 33.647 26.402 758 HH12 ARG 92 2HH1 ARG 92 71.693 33.034 28.022 759 HH21 ARG 92 1HH2 ARG 92 72.243 29.714 27.073 760 HH22 ARG 92 2HH2 ARG 92 72.006 30.797 28.403 761 H GLY 93 H GLY 93 73.205 31.637 18.963 762 HA2 GLY 93 1HA GLY 93 74.911 29.397 19.854 763 HA3 GLY 93 2HA GLY 93 74.629 29.717 18.150 764 H ALA 94 H ALA 94 75.866 31.191 17.111 765 HA ALA 94 HA ALA 94 78.038 32.391 18.665 766 HB1 ALA 94 1HB ALA 94 78.377 32.811 15.873 767 HB2 ALA 94 2HB ALA 94 79.318 31.786 16.959 768 HB3 ALA 94 3HB ALA 94 77.904 31.131 16.133 769 HA PRO 95 HA PRO 95 76.654 36.532 18.236 770 HB2 PRO 95 1HB PRO 95 78.967 37.871 17.755 771 HB3 PRO 95 2HB PRO 95 78.566 37.183 19.333 772 HG2 PRO 95 1HG PRO 95 80.332 36.084 17.180 773 HG3 PRO 95 2HG PRO 95 80.597 36.124 18.933 774 HD2 PRO 95 1HD PRO 95 79.743 33.904 17.639 775 HD3 PRO 95 2HD PRO 95 79.259 34.285 19.304 776 H VAL 96 H VAL 96 75.480 36.029 16.228 777 HA VAL 96 HA VAL 96 76.780 37.222 13.865 778 HB VAL 96 HB VAL 96 75.057 35.881 12.547 779 HG11 VAL 96 1HG1 VAL 96 76.473 33.963 12.422 780 HG12 VAL 96 2HG1 VAL 96 77.499 35.365 12.734 781 HG13 VAL 96 3HG1 VAL 96 77.102 34.253 14.044 782 HG21 VAL 96 3HG2 VAL 96 73.820 35.366 14.786 783 HG22 VAL 96 1HG2 VAL 96 73.890 34.144 13.516 784 HG23 VAL 96 2HG2 VAL 96 74.979 34.042 14.900 785 HA PRO 97 HA PRO 97 73.650 40.296 13.720 786 HB2 PRO 97 1HB PRO 97 73.388 40.664 11.043 787 HB3 PRO 97 2HB PRO 97 74.799 41.215 11.955 788 HG2 PRO 97 1HG PRO 97 74.466 38.752 10.286 789 HG3 PRO 97 2HG PRO 97 75.841 39.869 10.371 790 HD2 PRO 97 1HD PRO 97 75.815 37.490 11.663 791 HD3 PRO 97 2HD PRO 97 76.659 38.915 12.303 792 H GLN 98 H GLN 98 71.455 40.519 13.587 793 HA GLN 98 HA GLN 98 69.867 38.215 13.297 794 HB2 GLN 98 1HB GLN 98 67.957 39.711 13.561 795 HB3 GLN 98 2HB GLN 98 69.223 40.113 14.713 796 HG2 GLN 98 1HG GLN 98 69.931 41.815 12.840 797 HG3 GLN 98 2HG GLN 98 68.245 41.635 12.357 798 HE21 GLN 98 2HE2 GLN 98 67.312 43.462 12.992 799 HE22 GLN 98 1HE2 GLN 98 67.359 44.106 14.594 800 H GLU 99 H GLU 99 70.764 40.753 11.069 801 HA GLU 99 HA GLU 99 68.834 40.432 9.099 802 HB2 GLU 99 1HB GLU 99 70.388 41.453 7.577 803 HB3 GLU 99 2HB GLU 99 70.578 42.213 9.151 804 HG2 GLU 99 1HG GLU 99 72.429 40.268 9.337 805 HG3 GLU 99 2HG GLU 99 72.460 40.572 7.601 806 H LEU 100 H LEU 100 71.696 38.522 9.788 807 HA LEU 100 HA LEU 100 71.794 37.021 7.423 808 HB2 LEU 100 1HB LEU 100 72.923 36.866 10.107 809 HB3 LEU 100 2HB LEU 100 72.652 35.285 9.377 810 HG LEU 100 HG LEU 100 74.119 35.784 7.566 811 HD11 LEU 100 1HD1 LEU 100 75.299 38.220 8.050 812 HD12 LEU 100 2HD1 LEU 100 73.590 38.534 8.352 813 HD13 LEU 100 3HD1 LEU 100 74.104 37.876 6.799 814 HD21 LEU 100 3HD2 LEU 100 75.894 36.979 9.503 815 HD22 LEU 100 1HD2 LEU 100 75.923 35.364 8.796 816 HD23 LEU 100 2HD2 LEU 100 74.940 35.682 10.225 817 H LEU 101 H LEU 101 70.023 36.501 10.440 818 HA LEU 101 HA LEU 101 68.934 33.984 9.619 819 HB2 LEU 101 1HB LEU 101 68.026 35.850 11.807 820 HB3 LEU 101 2HB LEU 101 67.544 34.166 11.612 821 HG LEU 101 HG LEU 101 69.133 33.817 13.166 822 HD11 LEU 101 1HD1 LEU 101 71.139 33.055 12.251 823 HD12 LEU 101 2HD1 LEU 101 71.137 34.284 10.986 824 HD13 LEU 101 3HD1 LEU 101 69.992 32.945 10.915 825 HD21 LEU 101 3HD2 LEU 101 69.438 36.283 13.451 826 HD22 LEU 101 1HD2 LEU 101 70.709 36.208 12.231 827 HD23 LEU 101 2HD2 LEU 101 70.889 35.324 13.747 828 H ASP 102 H ASP 102 68.040 37.309 9.250 829 HA ASP 102 HA ASP 102 65.281 36.831 8.645 830 HB2 ASP 102 1HB ASP 102 66.008 39.001 9.499 831 HB3 ASP 102 2HB ASP 102 67.035 39.232 8.087 832 H ARG 103 H ARG 103 68.241 37.222 6.773 833 HA ARG 103 HA ARG 103 66.937 37.244 4.233 834 HB2 ARG 103 1HB ARG 103 69.220 36.925 3.323 835 HB3 ARG 103 2HB ARG 103 69.119 38.258 4.466 836 HG2 ARG 103 1HG ARG 103 70.045 36.789 6.216 837 HG3 ARG 103 2HG ARG 103 70.214 35.508 5.014 838 HD2 ARG 103 1HD ARG 103 71.470 38.222 4.688 839 HD3 ARG 103 2HD ARG 103 72.285 36.890 5.507 840 HE ARG 103 HE ARG 103 72.528 35.803 3.466 841 HH11 ARG 103 1HH1 ARG 103 70.667 38.725 3.121 842 HH12 ARG 103 2HH1 ARG 103 70.789 38.754 1.393 843 HH21 ARG 103 1HH2 ARG 103 72.695 35.829 1.192 844 HH22 ARG 103 2HH2 ARG 103 71.942 37.105 0.297 845 H VAL 104 H VAL 104 68.639 34.772 6.124 846 HA VAL 104 HA VAL 104 68.435 32.700 4.226 847 HB VAL 104 HB VAL 104 68.905 31.167 6.069 848 HG11 VAL 104 1HG1 VAL 104 70.803 33.002 7.029 849 HG12 VAL 104 2HG1 VAL 104 71.005 31.813 5.740 850 HG13 VAL 104 3HG1 VAL 104 70.481 33.452 5.355 851 HG21 VAL 104 3HG2 VAL 104 67.714 31.797 7.923 852 HG22 VAL 104 1HG2 VAL 104 69.306 32.425 8.348 853 HG23 VAL 104 2HG2 VAL 104 68.072 33.510 7.707 854 H LEU 105 H LEU 105 66.325 33.696 6.883 855 HA LEU 105 HA LEU 105 64.511 31.535 6.675 856 HB2 LEU 105 1HB LEU 105 64.382 34.269 7.884 857 HB3 LEU 105 2HB LEU 105 62.943 33.255 7.815 858 HG LEU 105 HG LEU 105 65.521 32.584 9.233 859 HD11 LEU 105 1HD1 LEU 105 64.495 33.126 11.224 860 HD12 LEU 105 2HD1 LEU 105 62.872 32.989 10.549 861 HD13 LEU 105 3HD1 LEU 105 63.878 34.381 10.149 862 HD21 LEU 105 3HD2 LEU 105 64.843 30.472 9.084 863 HD22 LEU 105 1HD2 LEU 105 63.314 30.947 8.346 864 HD23 LEU 105 2HD2 LEU 105 63.472 30.914 10.102 865 H ALA 106 H ALA 106 64.305 34.890 5.490 866 HA ALA 106 HA ALA 106 61.866 34.736 4.196 867 HB1 ALA 106 1HB ALA 106 62.861 36.859 4.419 868 HB2 ALA 106 2HB ALA 106 64.325 36.350 3.577 869 HB3 ALA 106 3HB ALA 106 62.815 36.537 2.685 870 H ALA 107 H ALA 107 65.076 33.846 2.996 871 HA ALA 107 HA ALA 107 64.273 33.247 0.352 872 HB1 ALA 107 1HB ALA 107 66.605 32.003 1.788 873 HB2 ALA 107 2HB ALA 107 66.420 32.301 0.059 874 HB3 ALA 107 3HB ALA 107 66.627 33.655 1.170 875 H GLN 108 H GLN 108 64.551 31.287 3.281 876 HA GLN 108 HA GLN 108 64.187 28.761 2.209 877 HB2 GLN 108 1HB GLN 108 64.708 29.336 4.606 878 HB3 GLN 108 2HB GLN 108 63.003 29.707 4.820 879 HG2 GLN 108 1HG GLN 108 63.607 27.461 5.612 880 HG3 GLN 108 2HG GLN 108 62.394 27.436 4.333 881 HE21 GLN 108 2HE2 GLN 108 62.706 25.996 2.804 882 HE22 GLN 108 1HE2 GLN 108 64.222 25.308 2.342 883 H ALA 109 H ALA 109 61.709 31.065 3.300 884 HA ALA 109 HA ALA 109 59.535 29.382 2.497 885 HB1 ALA 109 1HB ALA 109 58.238 30.842 3.597 886 HB2 ALA 109 2HB ALA 109 59.762 31.504 4.188 887 HB3 ALA 109 3HB ALA 109 58.961 32.238 2.799 888 H TYR 110 H TYR 110 61.442 31.874 0.997 889 HA TYR 110 HA TYR 110 59.711 32.651 -1.060 890 HB2 TYR 110 1HB TYR 110 62.008 33.624 -0.354 891 HB3 TYR 110 2HB TYR 110 62.682 32.430 -1.458 892 HD1 TYR 110 HD1 TYR 110 60.096 35.125 -1.375 893 HD2 TYR 110 HD2 TYR 110 62.995 33.023 -3.672 894 HE1 TYR 110 HE1 TYR 110 59.706 36.658 -3.259 895 HE2 TYR 110 HE2 TYR 110 62.614 34.550 -5.562 896 HH TYR 110 HH TYR 110 60.818 37.448 -5.250 897 H TRP 111 H TRP 111 62.095 30.031 -0.917 898 HA TRP 111 HA TRP 111 61.694 29.151 -3.584 899 HB2 TRP 111 1HB TRP 111 62.671 27.430 -1.307 900 HB3 TRP 111 2HB TRP 111 63.058 27.289 -3.020 901 HD1 TRP 111 HD1 TRP 111 63.955 30.240 -3.644 902 HE1 TRP 111 HE1 TRP 111 66.141 31.164 -2.646 903 HE3 TRP 111 HE3 TRP 111 64.474 27.022 0.294 904 HZ2 TRP 111 HZ2 TRP 111 67.857 30.602 -0.477 905 HZ3 TRP 111 HZ3 TRP 111 66.416 27.282 1.783 906 HH2 TRP 111 HH2 TRP 111 68.072 29.036 1.403 907 H SER 112 H SER 112 59.898 28.758 -0.698 908 HA SER 112 HA SER 112 58.683 26.272 -1.122 909 HB2 SER 112 1HB SER 112 58.569 27.990 0.895 910 HB3 SER 112 2HB SER 112 57.094 28.502 0.075 911 HG SER 112 HG SER 112 57.698 26.068 1.314 912 H VAL 113 H VAL 113 57.613 25.657 -2.874 913 HA VAL 113 HA VAL 113 55.944 27.630 -4.285 914 HB VAL 113 HB VAL 113 56.189 26.377 -6.276 915 HG11 VAL 113 1HG1 VAL 113 58.928 26.079 -5.108 916 HG12 VAL 113 2HG1 VAL 113 58.452 26.623 -6.718 917 HG13 VAL 113 3HG1 VAL 113 58.216 27.678 -5.324 918 HG21 VAL 113 3HG2 VAL 113 55.867 24.149 -5.418 919 HG22 VAL 113 1HG2 VAL 113 57.369 24.198 -6.340 920 HG23 VAL 113 2HG2 VAL 113 57.416 24.208 -4.577 921 H ASP 114 H ASP 114 55.949 24.564 -2.649 922 HA ASP 114 HA ASP 114 54.254 23.253 -1.877 923 HB2 ASP 114 1HB ASP 114 53.163 25.802 -1.921 924 HB3 ASP 114 2HB ASP 114 51.991 24.837 -2.814 925 H SER 115 H SER 115 54.184 21.451 -3.059 926 HA SER 115 HA SER 115 52.287 21.240 -5.211 927 HB2 SER 115 1HB SER 115 54.009 20.319 -6.823 928 HB3 SER 115 2HB SER 115 54.091 22.059 -6.551 929 HG SER 115 HG SER 115 56.156 21.266 -6.397 930 H SER 116 H SER 116 51.472 19.226 -5.332 931 HA SER 116 HA SER 116 52.287 17.301 -3.378 932 HB2 SER 116 1HB SER 116 50.500 15.884 -4.613 933 HB3 SER 116 2HB SER 116 49.973 17.330 -3.751 934 HG SER 116 HG SER 116 49.218 16.976 -6.020 935 H GLY 117 H GLY 117 53.358 15.392 -3.639 936 HA2 GLY 117 1HA GLY 117 54.056 13.577 -5.135 937 HA3 GLY 117 2HA GLY 117 54.370 14.805 -6.352 938 H ARG 118 H ARG 118 55.245 15.528 -3.101 939 HA ARG 118 HA ARG 118 58.067 15.384 -3.862 940 HB2 ARG 118 1HB ARG 118 56.492 16.980 -1.905 941 HB3 ARG 118 2HB ARG 118 58.165 16.623 -1.499 942 HG2 ARG 118 1HG ARG 118 57.305 17.905 -4.081 943 HG3 ARG 118 2HG ARG 118 57.810 18.804 -2.648 944 HD2 ARG 118 1HD ARG 118 59.465 16.829 -4.214 945 HD3 ARG 118 2HD ARG 118 59.667 18.580 -4.185 946 HE ARG 118 HE ARG 118 59.931 17.921 -1.590 947 HH11 ARG 118 1HH1 ARG 118 61.392 16.677 -4.495 948 HH12 ARG 118 2HH1 ARG 118 62.871 16.225 -3.713 949 HH21 ARG 118 1HH2 ARG 118 61.873 17.331 -0.550 950 HH22 ARG 118 2HH2 ARG 118 63.143 16.597 -1.469 951 H ILE 119 H ILE 119 58.047 13.029 -3.641 952 HA ILE 119 HA ILE 119 58.183 11.043 -2.472 953 HB ILE 119 HB ILE 119 60.026 11.059 -0.838 954 HG12 ILE 119 1HG1 ILE 119 60.158 14.043 -1.288 955 HG13 ILE 119 2HG1 ILE 119 59.390 13.319 0.120 956 HG21 ILE 119 1HG2 ILE 119 61.149 10.855 -2.754 957 HG22 ILE 119 2HG2 ILE 119 60.160 12.073 -3.557 958 HG23 ILE 119 3HG2 ILE 119 61.542 12.566 -2.579 959 HD11 ILE 119 3HD1 ILE 119 61.879 12.125 0.032 960 HD12 ILE 119 1HD1 ILE 119 62.185 13.801 -0.423 961 HD13 ILE 119 2HD1 ILE 119 61.373 13.434 1.099 962 H VAL 120 H VAL 120 55.860 12.288 -1.683 963 HA VAL 120 HA VAL 120 55.711 12.517 1.173 964 HB VAL 120 HB VAL 120 53.415 12.191 -0.760 965 HG11 VAL 120 1HG1 VAL 120 52.479 13.777 1.173 966 HG12 VAL 120 2HG1 VAL 120 52.389 12.017 1.257 967 HG13 VAL 120 3HG1 VAL 120 53.672 12.877 2.108 968 HG21 VAL 120 3HG2 VAL 120 55.213 14.467 -0.248 969 HG22 VAL 120 1HG2 VAL 120 54.225 14.093 -1.660 970 HG23 VAL 120 2HG2 VAL 120 53.490 14.840 -0.241 971 H THR 121 H THR 121 54.639 11.124 2.612 972 HA THR 121 HA THR 121 54.438 8.339 1.669 973 HB THR 121 HB THR 121 54.984 9.191 4.512 974 HG1 THR 121 HG1 THR 121 56.746 8.683 2.356 975 HG21 THR 121 3HG2 THR 121 54.072 6.946 4.261 976 HG22 THR 121 1HG2 THR 121 55.767 6.867 4.741 977 HG23 THR 121 2HG2 THR 121 55.309 6.559 3.066 978 H LEU 122 H LEU 122 52.990 10.828 3.696 979 HA LEU 122 HA LEU 122 50.786 9.146 4.492 980 HB2 LEU 122 1HB LEU 122 51.797 11.035 5.851 981 HB3 LEU 122 2HB LEU 122 50.966 12.136 4.754 982 HG LEU 122 HG LEU 122 49.441 10.045 6.266 983 HD11 LEU 122 1HD1 LEU 122 49.884 12.816 7.324 984 HD12 LEU 122 2HD1 LEU 122 50.919 11.467 7.792 985 HD13 LEU 122 3HD1 LEU 122 49.191 11.415 8.141 986 HD21 LEU 122 3HD2 LEU 122 48.858 12.528 4.745 987 HD22 LEU 122 1HD2 LEU 122 47.826 12.138 6.122 988 HD23 LEU 122 2HD2 LEU 122 47.988 10.993 4.789 Start of MODEL 16 1 H1 GLY 1 H GLY 1 17.385 19.796 84.846 2 HA2 GLY 1 1HA GLY 1 17.405 18.975 82.169 3 HA3 GLY 1 2HA GLY 1 16.197 20.241 82.330 4 H SER 2 H SER 2 19.556 19.492 82.210 5 HA SER 2 HA SER 2 20.160 22.352 82.055 6 HB2 SER 2 1HB SER 2 20.668 21.501 84.380 7 HB3 SER 2 2HB SER 2 21.882 20.449 83.653 8 HG SER 2 HG SER 2 23.096 22.164 83.146 9 HA PRO 3 HA PRO 3 22.062 19.773 78.667 10 HB2 PRO 3 1HB PRO 3 21.127 21.309 76.633 11 HB3 PRO 3 2HB PRO 3 20.205 19.971 77.328 12 HG2 PRO 3 1HG PRO 3 19.974 22.908 77.859 13 HG3 PRO 3 2HG PRO 3 18.689 21.708 77.629 14 HD2 PRO 3 1HD PRO 3 19.438 22.588 80.077 15 HD3 PRO 3 2HD PRO 3 18.846 20.938 79.796 16 H PHE 4 H PHE 4 23.942 20.256 77.592 17 HA PHE 4 HA PHE 4 24.888 23.040 77.735 18 HB2 PHE 4 1HB PHE 4 26.322 20.508 78.497 19 HB3 PHE 4 2HB PHE 4 27.214 21.952 78.030 20 HD1 PHE 4 HD1 PHE 4 26.633 24.123 79.313 21 HD2 PHE 4 HD2 PHE 4 25.683 20.211 80.695 22 HE1 PHE 4 HE1 PHE 4 26.444 24.984 81.610 23 HE2 PHE 4 HE2 PHE 4 25.491 21.066 82.994 24 HZ PHE 4 HZ PHE 4 25.871 23.456 83.454 25 H ALA 5 H ALA 5 25.922 23.827 75.966 26 HA ALA 5 HA ALA 5 27.013 22.159 73.919 27 HB1 ALA 5 1HB ALA 5 25.007 21.732 72.961 28 HB2 ALA 5 2HB ALA 5 24.249 23.173 73.641 29 HB3 ALA 5 3HB ALA 5 25.295 23.310 72.228 30 H ASP 6 H ASP 6 28.691 23.263 73.176 31 HA ASP 6 HA ASP 6 28.626 26.197 73.303 32 HB2 ASP 6 1HB ASP 6 30.790 24.157 73.500 33 HB3 ASP 6 2HB ASP 6 31.201 25.727 72.814 34 HA PRO 7 HA PRO 7 28.705 26.720 68.950 35 HB2 PRO 7 1HB PRO 7 30.453 28.773 68.635 36 HB3 PRO 7 2HB PRO 7 28.836 28.984 69.318 37 HG2 PRO 7 1HG PRO 7 31.468 28.736 70.722 38 HG3 PRO 7 2HG PRO 7 30.124 29.845 71.052 39 HD2 PRO 7 1HD PRO 7 30.549 27.599 72.503 40 HD3 PRO 7 2HD PRO 7 28.924 28.249 72.203 41 H ASN 8 H ASN 8 29.687 25.816 67.231 42 HA ASN 8 HA ASN 8 32.543 25.131 67.479 43 HB2 ASN 8 1HB ASN 8 31.902 23.156 65.948 44 HB3 ASN 8 2HB ASN 8 31.453 23.058 67.648 45 HD21 ASN 8 2HD2 ASN 8 29.446 22.502 68.067 46 HD22 ASN 8 1HD2 ASN 8 28.105 22.638 66.986 47 H SER 9 H SER 9 33.843 25.459 65.724 48 HA SER 9 HA SER 9 32.727 26.132 63.145 49 HB2 SER 9 1HB SER 9 33.950 28.342 63.077 50 HB3 SER 9 2HB SER 9 32.545 28.304 64.143 51 HG SER 9 HG SER 9 33.847 28.294 65.885 52 H LEU 10 H LEU 10 34.611 26.836 61.633 53 HA LEU 10 HA LEU 10 37.176 25.686 62.362 54 HB2 LEU 10 1HB LEU 10 35.544 24.621 60.062 55 HB3 LEU 10 2HB LEU 10 37.225 24.210 60.394 56 HG LEU 10 HG LEU 10 34.967 23.614 62.298 57 HD11 LEU 10 1HD1 LEU 10 36.078 22.021 60.017 58 HD12 LEU 10 2HD1 LEU 10 34.395 22.322 60.451 59 HD13 LEU 10 3HD1 LEU 10 35.376 21.231 61.430 60 HD21 LEU 10 3HD2 LEU 10 36.525 22.789 63.660 61 HD22 LEU 10 1HD2 LEU 10 37.710 23.625 62.656 62 HD23 LEU 10 2HD2 LEU 10 37.330 21.931 62.345 63 H ALA 11 H ALA 11 38.880 26.417 61.102 64 HA ALA 11 HA ALA 11 38.246 28.217 58.876 65 HB1 ALA 11 1HB ALA 11 40.097 29.743 59.853 66 HB2 ALA 11 2HB ALA 11 38.468 29.828 60.523 67 HB3 ALA 11 3HB ALA 11 39.725 28.932 61.375 68 H LEU 12 H LEU 12 39.643 28.098 57.205 69 HA LEU 12 HA LEU 12 42.319 27.057 57.555 70 HB2 LEU 12 1HB LEU 12 40.726 25.085 57.316 71 HB3 LEU 12 2HB LEU 12 40.482 25.626 55.657 72 HG LEU 12 HG LEU 12 42.983 25.376 55.348 73 HD11 LEU 12 1HD1 LEU 12 42.676 24.018 58.016 74 HD12 LEU 12 2HD1 LEU 12 43.746 25.356 57.599 75 HD13 LEU 12 3HD1 LEU 12 44.042 23.750 56.932 76 HD21 LEU 12 3HD2 LEU 12 41.209 23.756 54.590 77 HD22 LEU 12 1HD2 LEU 12 41.553 22.821 56.045 78 HD23 LEU 12 2HD2 LEU 12 42.814 23.067 54.837 79 H ALA 13 H ALA 13 43.703 27.765 56.003 80 HA ALA 13 HA ALA 13 42.804 28.660 53.429 81 HB1 ALA 13 1HB ALA 13 44.063 30.858 54.983 82 HB2 ALA 13 2HB ALA 13 42.933 30.930 53.630 83 HB3 ALA 13 3HB ALA 13 42.351 30.526 55.245 84 H ASN 14 H ASN 14 44.482 28.918 51.973 85 HA ASN 14 HA ASN 14 47.216 28.649 53.006 86 HB2 ASN 14 1HB ASN 14 46.013 26.979 50.787 87 HB3 ASN 14 2HB ASN 14 47.716 26.987 51.235 88 HD21 ASN 14 2HD2 ASN 14 44.487 26.424 52.558 89 HD22 ASN 14 1HD2 ASN 14 44.965 25.185 53.663 90 H VAL 15 H VAL 15 48.557 30.081 52.131 91 HA VAL 15 HA VAL 15 47.691 31.927 50.161 92 HB VAL 15 HB VAL 15 50.089 32.695 50.180 93 HG11 VAL 15 1HG1 VAL 15 49.572 32.703 53.011 94 HG12 VAL 15 2HG1 VAL 15 49.457 34.023 51.846 95 HG13 VAL 15 3HG1 VAL 15 48.080 32.952 52.106 96 HG21 VAL 15 3HG2 VAL 15 50.782 30.259 50.914 97 HG22 VAL 15 1HG2 VAL 15 51.716 31.667 51.420 98 HG23 VAL 15 2HG2 VAL 15 50.561 30.929 52.530 99 HA PRO 16 HA PRO 16 48.830 30.007 46.380 100 HB2 PRO 16 1HB PRO 16 49.593 32.157 44.910 101 HB3 PRO 16 2HB PRO 16 47.907 31.823 45.319 102 HG2 PRO 16 1HG PRO 16 49.829 33.720 46.611 103 HG3 PRO 16 2HG PRO 16 48.122 33.964 46.201 104 HD2 PRO 16 1HD PRO 16 48.948 33.375 48.712 105 HD3 PRO 16 2HD PRO 16 47.382 32.838 48.071 106 H LEU 17 H LEU 17 50.647 29.927 44.726 107 HA LEU 17 HA LEU 17 53.219 30.062 46.146 108 HB2 LEU 17 1HB LEU 17 53.991 28.332 44.624 109 HB3 LEU 17 2HB LEU 17 52.536 27.824 45.480 110 HG LEU 17 HG LEU 17 51.347 28.668 43.288 111 HD11 LEU 17 1HD1 LEU 17 53.109 29.570 42.058 112 HD12 LEU 17 2HD1 LEU 17 52.864 27.978 41.340 113 HD13 LEU 17 3HD1 LEU 17 54.197 28.242 42.463 114 HD21 LEU 17 3HD2 LEU 17 52.816 26.069 43.662 115 HD22 LEU 17 1HD2 LEU 17 51.684 26.353 42.340 116 HD23 LEU 17 2HD2 LEU 17 51.124 26.426 44.011 117 H SER 18 H SER 18 55.144 30.370 44.673 118 HA SER 18 HA SER 18 54.631 31.984 42.309 119 HB2 SER 18 1HB SER 18 56.472 33.192 44.335 120 HB3 SER 18 2HB SER 18 55.541 33.976 43.059 121 HG SER 18 HG SER 18 53.660 33.580 44.299 122 H ARG 19 H ARG 19 56.659 32.528 41.154 123 HA ARG 19 HA ARG 19 58.995 30.951 41.861 124 HB2 ARG 19 1HB ARG 19 57.294 30.419 39.439 125 HB3 ARG 19 2HB ARG 19 59.010 30.036 39.446 126 HG2 ARG 19 1HG ARG 19 58.719 28.508 41.275 127 HG3 ARG 19 2HG ARG 19 57.026 28.979 41.447 128 HD2 ARG 19 1HD ARG 19 56.667 28.169 39.098 129 HD3 ARG 19 2HD ARG 19 58.305 27.519 39.143 130 HE ARG 19 HE ARG 19 55.971 26.433 40.424 131 HH11 ARG 19 1HH1 ARG 19 59.449 26.596 40.465 132 HH12 ARG 19 2HH1 ARG 19 59.639 25.092 41.305 133 HH21 ARG 19 1HH2 ARG 19 56.209 24.451 41.529 134 HH22 ARG 19 2HH2 ARG 19 57.796 23.873 41.908 135 H SER 20 H SER 20 60.873 31.801 41.094 136 HA SER 20 HA SER 20 60.685 34.011 39.163 137 HB2 SER 20 1HB SER 20 62.430 35.216 40.519 138 HB3 SER 20 2HB SER 20 60.860 35.082 41.310 139 HG SER 20 HG SER 20 63.268 33.762 41.887 140 H LYS 21 H LYS 21 61.701 33.208 37.435 141 HA LYS 21 HA LYS 21 64.221 31.745 37.829 142 HB2 LYS 21 1HB LYS 21 62.239 30.759 36.499 143 HB3 LYS 21 2HB LYS 21 62.694 31.900 35.241 144 HG2 LYS 21 1HG LYS 21 64.980 30.900 35.265 145 HG3 LYS 21 2HG LYS 21 64.366 29.668 36.370 146 HD2 LYS 21 1HD LYS 21 62.957 30.179 33.783 147 HD3 LYS 21 2HD LYS 21 64.430 29.206 33.802 148 HE2 LYS 21 1HE LYS 21 62.792 27.600 34.057 149 HE3 LYS 21 2HE LYS 21 63.242 27.928 35.730 150 HZ1 LYS 21 3HZ LYS 21 61.181 29.681 34.867 151 HZ2 LYS 21 1HZ LYS 21 61.194 28.606 36.173 152 HZ3 LYS 21 2HZ LYS 21 60.721 28.069 34.641 153 H ARG 22 H ARG 22 66.049 32.798 37.460 154 HA ARG 22 HA ARG 22 65.975 35.234 35.823 155 HB2 ARG 22 1HB ARG 22 66.822 35.601 38.050 156 HB3 ARG 22 2HB ARG 22 67.958 34.268 37.886 157 HG2 ARG 22 1HG ARG 22 69.050 35.555 36.031 158 HG3 ARG 22 2HG ARG 22 68.020 36.919 36.472 159 HD2 ARG 22 1HD ARG 22 70.111 35.562 38.160 160 HD3 ARG 22 2HD ARG 22 70.120 37.219 37.559 161 HE ARG 22 HE ARG 22 68.772 36.232 39.891 162 HH11 ARG 22 1HH1 ARG 22 68.778 38.695 37.431 163 HH12 ARG 22 2HH1 ARG 22 67.918 39.847 38.398 164 HH21 ARG 22 1HH2 ARG 22 67.640 37.740 41.175 165 HH22 ARG 22 2HH2 ARG 22 67.272 39.303 40.528 166 HA PRO 23 HA PRO 23 68.153 33.183 32.581 167 HB2 PRO 23 1HB PRO 23 69.053 35.384 31.271 168 HB3 PRO 23 2HB PRO 23 67.368 34.853 31.213 169 HG2 PRO 23 1HG PRO 23 68.623 36.994 32.888 170 HG3 PRO 23 2HG PRO 23 67.083 37.020 32.009 171 HD2 PRO 23 1HD PRO 23 67.230 36.581 34.677 172 HD3 PRO 23 2HD PRO 23 65.979 35.845 33.656 173 H ASP 24 H ASP 24 70.361 33.332 31.486 174 HA ASP 24 HA ASP 24 72.427 34.084 33.446 175 HB2 ASP 24 1HB ASP 24 72.037 31.517 31.961 176 HB3 ASP 24 2HB ASP 24 73.677 32.049 32.323 177 H PHE 25 H PHE 25 74.318 34.948 32.650 178 HA PHE 25 HA PHE 25 74.253 35.683 29.802 179 HB2 PHE 25 1HB PHE 25 75.418 37.050 32.220 180 HB3 PHE 25 2HB PHE 25 75.913 37.485 30.587 181 HD1 PHE 25 HD1 PHE 25 72.728 36.880 32.441 182 HD2 PHE 25 HD2 PHE 25 74.871 39.303 29.676 183 HE1 PHE 25 HE1 PHE 25 70.787 38.381 32.258 184 HE2 PHE 25 HE2 PHE 25 72.934 40.809 29.489 185 HZ PHE 25 HZ PHE 25 70.889 40.349 30.782 186 H GLY 26 H GLY 26 76.469 36.042 28.825 187 HA2 GLY 26 1HA GLY 26 78.831 34.976 29.747 188 HA3 GLY 26 2HA GLY 26 77.959 33.612 29.063 189 H GLN 27 H GLN 27 79.935 33.626 27.666 190 HA GLN 27 HA GLN 27 79.808 35.637 25.537 191 HB2 GLN 27 1HB GLN 27 81.925 33.560 26.123 192 HB3 GLN 27 2HB GLN 27 82.011 34.777 24.857 193 HG2 GLN 27 1HG GLN 27 82.143 36.539 26.446 194 HG3 GLN 27 2HG GLN 27 81.771 35.445 27.777 195 HE21 GLN 27 2HE2 GLN 27 83.923 36.946 28.088 196 HE22 GLN 27 1HE2 GLN 27 85.375 36.033 27.880 197 H ARG 28 H ARG 28 80.238 34.804 23.289 198 HA ARG 28 HA ARG 28 78.557 32.440 22.832 199 HB2 ARG 28 1HB ARG 28 78.850 35.012 21.509 200 HB3 ARG 28 2HB ARG 28 78.995 33.676 20.375 201 HG2 ARG 28 1HG ARG 28 76.704 34.438 20.505 202 HG3 ARG 28 2HG ARG 28 76.842 32.798 21.142 203 HD2 ARG 28 1HD ARG 28 76.259 33.423 23.224 204 HD3 ARG 28 2HD ARG 28 77.172 34.929 23.134 205 HE ARG 28 HE ARG 28 74.390 34.597 22.664 206 HH11 ARG 28 1HH1 ARG 28 77.180 36.404 21.629 207 HH12 ARG 28 2HH1 ARG 28 76.260 37.776 21.106 208 HH21 ARG 28 1HH2 ARG 28 73.168 36.397 21.980 209 HH22 ARG 28 2HH2 ARG 28 73.978 37.771 21.307 210 H ARG 29 H ARG 29 79.564 30.609 22.367 211 HA ARG 29 HA ARG 29 82.319 30.422 21.809 212 HB2 ARG 29 1HB ARG 29 80.019 28.514 21.767 213 HB3 ARG 29 2HB ARG 29 81.542 28.021 21.037 214 HG2 ARG 29 1HG ARG 29 82.407 28.980 23.415 215 HG3 ARG 29 2HG ARG 29 80.818 28.354 23.859 216 HD2 ARG 29 1HD ARG 29 82.692 26.703 22.212 217 HD3 ARG 29 2HD ARG 29 82.886 26.789 23.963 218 HE ARG 29 HE ARG 29 80.214 26.143 23.116 219 HH11 ARG 29 1HH1 ARG 29 83.364 24.878 23.889 220 HH12 ARG 29 2HH1 ARG 29 82.776 23.296 24.282 221 HH21 ARG 29 1HH2 ARG 29 79.428 24.064 23.631 222 HH22 ARG 29 2HH2 ARG 29 80.537 22.834 24.134 223 H ILE 30 H ILE 30 83.341 29.578 19.884 224 HA ILE 30 HA ILE 30 81.902 30.302 17.415 225 HB ILE 30 HB ILE 30 84.880 30.555 17.819 226 HG12 ILE 30 1HG1 ILE 30 83.672 32.110 19.308 227 HG13 ILE 30 2HG1 ILE 30 84.531 32.964 18.030 228 HG21 ILE 30 1HG2 ILE 30 84.132 32.248 15.805 229 HG22 ILE 30 2HG2 ILE 30 84.796 30.629 15.585 230 HG23 ILE 30 3HG2 ILE 30 83.050 30.876 15.566 231 HD11 ILE 30 3HD1 ILE 30 81.582 32.379 18.128 232 HD12 ILE 30 1HD1 ILE 30 82.360 33.944 18.367 233 HD13 ILE 30 2HD1 ILE 30 82.418 33.161 16.787 234 H ARG 31 H ARG 31 81.610 28.663 16.069 235 HA ARG 31 HA ARG 31 83.047 26.179 16.465 236 HB2 ARG 31 1HB ARG 31 80.802 26.963 14.603 237 HB3 ARG 31 2HB ARG 31 81.521 25.358 14.636 238 HG2 ARG 31 1HG ARG 31 80.442 26.551 17.150 239 HG3 ARG 31 2HG ARG 31 79.345 25.837 15.966 240 HD2 ARG 31 1HD ARG 31 81.753 24.363 16.988 241 HD3 ARG 31 2HD ARG 31 80.215 24.335 17.848 242 HE ARG 31 HE ARG 31 79.908 23.653 15.098 243 HH11 ARG 31 1HH1 ARG 31 80.889 22.409 18.198 244 HH12 ARG 31 2HH1 ARG 31 80.514 20.764 17.802 245 HH21 ARG 31 1HH2 ARG 31 79.410 21.492 14.565 246 HH22 ARG 31 2HH2 ARG 31 79.674 20.244 15.735 247 H ARG 32 H ARG 32 82.181 27.784 13.414 248 HA ARG 32 HA ARG 32 84.926 27.267 12.475 249 HB2 ARG 32 1HB ARG 32 82.271 26.950 11.163 250 HB3 ARG 32 2HB ARG 32 83.622 27.463 10.161 251 HG2 ARG 32 1HG ARG 32 84.741 25.472 10.409 252 HG3 ARG 32 2HG ARG 32 83.947 25.094 11.939 253 HD2 ARG 32 1HD ARG 32 81.795 24.954 10.511 254 HD3 ARG 32 2HD ARG 32 82.902 24.817 9.146 255 HE ARG 32 HE ARG 32 83.429 22.688 9.821 256 HH11 ARG 32 1HH1 ARG 32 81.698 24.318 12.363 257 HH12 ARG 32 2HH1 ARG 32 81.499 22.889 13.322 258 HH21 ARG 32 1HH2 ARG 32 83.175 20.799 11.075 259 HH22 ARG 32 2HH2 ARG 32 82.341 20.888 12.589 260 HA PRO 33 HA PRO 33 85.505 31.525 11.591 261 HB2 PRO 33 1HB PRO 33 86.868 31.456 9.244 262 HB3 PRO 33 2HB PRO 33 87.586 30.978 10.787 263 HG2 PRO 33 1HG PRO 33 86.441 29.261 8.618 264 HG3 PRO 33 2HG PRO 33 87.925 29.031 9.561 265 HD2 PRO 33 1HD PRO 33 85.628 27.705 10.110 266 HD3 PRO 33 2HD PRO 33 86.789 28.167 11.372 267 H PHE 34 H PHE 34 83.065 31.598 11.226 268 HA PHE 34 HA PHE 34 82.502 32.276 8.414 269 HB2 PHE 34 1HB PHE 34 81.115 30.543 10.212 270 HB3 PHE 34 2HB PHE 34 80.074 31.917 9.854 271 HD1 PHE 34 HD1 PHE 34 82.572 30.345 7.616 272 HD2 PHE 34 HD2 PHE 34 78.449 30.952 8.482 273 HE1 PHE 34 HE1 PHE 34 81.972 29.324 5.459 274 HE2 PHE 34 HE2 PHE 34 77.842 29.931 6.328 275 HZ PHE 34 HZ PHE 34 79.605 29.115 4.813 276 H THR 35 H THR 35 82.030 34.328 7.992 277 HA THR 35 HA THR 35 81.226 36.067 10.233 278 HB THR 35 HB THR 35 83.462 36.657 9.497 279 HG1 THR 35 HG1 THR 35 81.855 38.650 8.321 280 HG21 THR 35 3HG2 THR 35 82.611 35.879 6.990 281 HG22 THR 35 1HG2 THR 35 84.139 36.675 7.362 282 HG23 THR 35 2HG2 THR 35 82.750 37.631 6.846 283 H VAL 36 H VAL 36 80.031 38.050 9.519 284 HA VAL 36 HA VAL 36 77.650 37.444 8.289 285 HB VAL 36 HB VAL 36 77.840 39.444 9.599 286 HG11 VAL 36 1HG1 VAL 36 79.149 41.353 8.970 287 HG12 VAL 36 2HG1 VAL 36 80.200 39.935 8.975 288 HG13 VAL 36 3HG1 VAL 36 79.611 40.593 7.447 289 HG21 VAL 36 3HG2 VAL 36 76.584 39.325 7.112 290 HG22 VAL 36 1HG2 VAL 36 76.218 40.430 8.437 291 HG23 VAL 36 2HG2 VAL 36 77.341 40.916 7.167 292 H ALA 37 H ALA 37 80.619 38.643 6.822 293 HA ALA 37 HA ALA 37 79.532 39.140 4.249 294 HB1 ALA 37 1HB ALA 37 81.627 39.763 3.655 295 HB2 ALA 37 2HB ALA 37 81.851 39.792 5.405 296 HB3 ALA 37 3HB ALA 37 82.386 38.395 4.470 297 H GLU 38 H GLU 38 81.421 36.412 5.550 298 HA GLU 38 HA GLU 38 81.387 34.859 3.213 299 HB2 GLU 38 1HB GLU 38 81.619 34.044 6.112 300 HB3 GLU 38 2HB GLU 38 81.863 32.943 4.764 301 HG2 GLU 38 1HG GLU 38 83.767 34.158 4.015 302 HG3 GLU 38 2HG GLU 38 83.452 35.464 5.155 303 H VAL 39 H VAL 39 79.281 34.745 6.079 304 HA VAL 39 HA VAL 39 77.619 32.665 5.220 305 HB VAL 39 HB VAL 39 76.745 34.989 6.934 306 HG11 VAL 39 1HG1 VAL 39 74.966 33.473 6.195 307 HG12 VAL 39 2HG1 VAL 39 75.857 32.107 6.870 308 HG13 VAL 39 3HG1 VAL 39 75.233 33.367 7.935 309 HG21 VAL 39 3HG2 VAL 39 77.513 32.798 8.534 310 HG22 VAL 39 1HG2 VAL 39 78.835 33.099 7.406 311 HG23 VAL 39 2HG2 VAL 39 78.255 34.396 8.451 312 H GLU 40 H GLU 40 77.512 36.126 4.593 313 HA GLU 40 HA GLU 40 74.948 36.261 3.464 314 HB2 GLU 40 1HB GLU 40 77.389 37.943 3.411 315 HB3 GLU 40 2HB GLU 40 76.226 38.212 2.121 316 HG2 GLU 40 1HG GLU 40 74.496 38.710 3.699 317 HG3 GLU 40 2HG GLU 40 75.538 38.261 5.048 318 H LEU 41 H LEU 41 78.119 35.904 1.879 319 HA LEU 41 HA LEU 41 77.170 35.687 -0.742 320 HB2 LEU 41 1HB LEU 41 79.624 34.418 0.465 321 HB3 LEU 41 2HB LEU 41 79.324 34.652 -1.256 322 HG LEU 41 HG LEU 41 79.411 37.008 0.589 323 HD11 LEU 41 1HD1 LEU 41 81.842 37.193 -0.023 324 HD12 LEU 41 2HD1 LEU 41 81.761 35.511 -0.545 325 HD13 LEU 41 3HD1 LEU 41 81.446 35.927 1.140 326 HD21 LEU 41 3HD2 LEU 41 78.651 37.512 -1.593 327 HD22 LEU 41 1HD2 LEU 41 79.908 36.524 -2.339 328 HD23 LEU 41 2HD2 LEU 41 80.336 38.031 -1.528 329 H LEU 42 H LEU 42 77.681 33.231 1.743 330 HA LEU 42 HA LEU 42 77.286 30.948 0.196 331 HB2 LEU 42 1HB LEU 42 78.006 30.379 2.269 332 HB3 LEU 42 2HB LEU 42 77.061 31.639 3.060 333 HG LEU 42 HG LEU 42 75.048 30.252 2.845 334 HD11 LEU 42 1HD1 LEU 42 76.560 28.886 0.927 335 HD12 LEU 42 2HD1 LEU 42 74.931 28.505 1.485 336 HD13 LEU 42 3HD1 LEU 42 76.326 27.749 2.255 337 HD21 LEU 42 3HD2 LEU 42 76.363 30.101 4.877 338 HD22 LEU 42 1HD2 LEU 42 77.391 28.868 4.147 339 HD23 LEU 42 2HD2 LEU 42 75.692 28.521 4.468 340 H VAL 43 H VAL 43 74.887 32.737 2.135 341 HA VAL 43 HA VAL 43 72.644 31.252 1.450 342 HB VAL 43 HB VAL 43 72.775 34.220 2.006 343 HG11 VAL 43 1HG1 VAL 43 70.385 33.679 2.857 344 HG12 VAL 43 2HG1 VAL 43 70.653 33.918 1.130 345 HG13 VAL 43 3HG1 VAL 43 70.504 32.286 1.783 346 HG21 VAL 43 3HG2 VAL 43 72.050 32.066 3.966 347 HG22 VAL 43 1HG2 VAL 43 73.723 32.568 3.722 348 HG23 VAL 43 2HG2 VAL 43 72.524 33.735 4.281 349 H GLU 44 H GLU 44 74.057 34.065 -0.185 350 HA GLU 44 HA GLU 44 72.079 34.351 -2.160 351 HB2 GLU 44 1HB GLU 44 73.651 36.129 -1.763 352 HB3 GLU 44 2HB GLU 44 75.007 35.087 -2.166 353 HG2 GLU 44 1HG GLU 44 74.611 36.556 -4.000 354 HG3 GLU 44 2HG GLU 44 74.134 34.928 -4.480 355 H ALA 45 H ALA 45 74.863 32.252 -1.918 356 HA ALA 45 HA ALA 45 75.040 31.449 -4.606 357 HB1 ALA 45 1HB ALA 45 76.449 29.723 -3.870 358 HB2 ALA 45 2HB ALA 45 76.702 31.037 -2.720 359 HB3 ALA 45 3HB ALA 45 75.688 29.664 -2.280 360 H VAL 46 H VAL 46 73.360 29.931 -1.855 361 HA VAL 46 HA VAL 46 72.134 27.937 -3.523 362 HB VAL 46 HB VAL 46 72.584 27.303 -1.268 363 HG11 VAL 46 1HG1 VAL 46 71.370 28.468 0.625 364 HG12 VAL 46 2HG1 VAL 46 72.692 29.366 -0.122 365 HG13 VAL 46 3HG1 VAL 46 71.020 29.760 -0.522 366 HG21 VAL 46 3HG2 VAL 46 70.529 26.369 -0.648 367 HG22 VAL 46 1HG2 VAL 46 69.616 27.741 -1.274 368 HG23 VAL 46 2HG2 VAL 46 70.386 26.612 -2.388 369 H GLU 47 H GLU 47 71.265 31.075 -2.272 370 HA GLU 47 HA GLU 47 68.466 30.868 -2.742 371 HB2 GLU 47 1HB GLU 47 69.401 32.511 -1.182 372 HB3 GLU 47 2HB GLU 47 70.225 33.316 -2.510 373 HG2 GLU 47 1HG GLU 47 67.864 33.591 -3.508 374 HG3 GLU 47 2HG GLU 47 67.306 33.238 -1.874 375 H HIS 48 H HIS 48 71.149 32.295 -4.579 376 HA HIS 48 HA HIS 48 69.758 33.406 -6.684 377 HB2 HIS 48 1HB HIS 48 72.252 33.509 -6.256 378 HB3 HIS 48 2HB HIS 48 72.368 31.918 -7.002 379 HD1 HIS 48 HD1 HIS 48 71.548 31.819 -9.574 380 HD2 HIS 48 HD2 HIS 48 72.292 35.595 -8.008 381 HE1 HIS 48 HE1 HIS 48 71.785 33.338 -11.565 382 H LEU 49 H LEU 49 70.308 30.060 -5.966 383 HA LEU 49 HA LEU 49 69.177 29.282 -8.566 384 HB2 LEU 49 1HB LEU 49 70.486 27.461 -6.564 385 HB3 LEU 49 2HB LEU 49 70.134 27.134 -8.260 386 HG LEU 49 HG LEU 49 71.994 29.368 -7.693 387 HD11 LEU 49 1HD1 LEU 49 73.888 27.814 -7.444 388 HD12 LEU 49 2HD1 LEU 49 72.749 26.477 -7.299 389 HD13 LEU 49 3HD1 LEU 49 72.774 27.749 -6.078 390 HD21 LEU 49 3HD2 LEU 49 72.034 27.095 -9.675 391 HD22 LEU 49 1HD2 LEU 49 73.083 28.513 -9.679 392 HD23 LEU 49 2HD2 LEU 49 71.354 28.695 -9.972 393 H GLY 50 H GLY 50 68.459 29.574 -5.261 394 HA2 GLY 50 1HA GLY 50 66.662 28.936 -3.982 395 HA3 GLY 50 2HA GLY 50 65.778 28.905 -5.500 396 H THR 51 H THR 51 67.706 26.991 -3.268 397 HA THR 51 HA THR 51 67.936 24.734 -2.981 398 HB THR 51 HB THR 51 65.862 23.469 -2.905 399 HG1 THR 51 HG1 THR 51 64.020 24.191 -3.863 400 HG21 THR 51 3HG2 THR 51 66.424 25.629 -1.376 401 HG22 THR 51 1HG2 THR 51 65.040 24.570 -1.108 402 HG23 THR 51 2HG2 THR 51 64.837 26.080 -1.996 403 H GLY 52 H GLY 52 69.324 24.847 -4.999 404 HA2 GLY 52 1HA GLY 52 68.177 23.028 -7.023 405 HA3 GLY 52 2HA GLY 52 69.160 24.408 -7.487 406 H ARG 53 H ARG 53 70.670 23.074 -8.530 407 HA ARG 53 HA ARG 53 71.972 20.909 -7.238 408 HB2 ARG 53 1HB ARG 53 73.103 22.525 -9.519 409 HB3 ARG 53 2HB ARG 53 73.410 20.837 -9.131 410 HG2 ARG 53 1HG ARG 53 70.809 20.635 -9.525 411 HG3 ARG 53 2HG ARG 53 71.089 22.081 -10.498 412 HD2 ARG 53 1HD ARG 53 72.793 20.898 -11.780 413 HD3 ARG 53 2HD ARG 53 72.550 19.459 -10.791 414 HE ARG 53 HE ARG 53 70.145 20.364 -12.055 415 HH11 ARG 53 1HH1 ARG 53 73.055 18.504 -12.497 416 HH12 ARG 53 2HH1 ARG 53 72.384 17.508 -13.745 417 HH21 ARG 53 1HH2 ARG 53 69.251 19.058 -13.698 418 HH22 ARG 53 2HH2 ARG 53 70.221 17.824 -14.429 419 H TRP 54 H TRP 54 73.728 20.845 -5.963 420 HA TRP 54 HA TRP 54 74.637 23.162 -4.658 421 HB2 TRP 54 1HB TRP 54 76.149 20.553 -4.799 422 HB3 TRP 54 2HB TRP 54 76.166 21.746 -3.502 423 HD1 TRP 54 HD1 TRP 54 72.906 22.026 -3.374 424 HE1 TRP 54 HE1 TRP 54 71.591 20.138 -2.221 425 HE3 TRP 54 HE3 TRP 54 76.398 18.304 -3.673 426 HZ2 TRP 54 HZ2 TRP 54 71.981 17.430 -1.529 427 HZ3 TRP 54 HZ3 TRP 54 75.848 16.094 -2.740 428 HH2 TRP 54 HH2 TRP 54 73.686 15.668 -1.691 429 H ARG 55 H ARG 55 75.866 21.384 -7.422 430 HA ARG 55 HA ARG 55 78.428 22.441 -7.604 431 HB2 ARG 55 1HB ARG 55 78.216 22.003 -10.061 432 HB3 ARG 55 2HB ARG 55 77.781 20.638 -9.041 433 HG2 ARG 55 1HG ARG 55 75.380 21.354 -9.309 434 HG3 ARG 55 2HG ARG 55 75.945 22.477 -10.547 435 HD2 ARG 55 1HD ARG 55 76.591 19.546 -10.643 436 HD3 ARG 55 2HD ARG 55 75.095 20.192 -11.317 437 HE ARG 55 HE ARG 55 77.736 20.425 -12.421 438 HH11 ARG 55 1HH1 ARG 55 74.561 21.847 -12.284 439 HH12 ARG 55 2HH1 ARG 55 74.712 22.648 -13.813 440 HH21 ARG 55 1HH2 ARG 55 77.946 21.474 -14.435 441 HH22 ARG 55 2HH2 ARG 55 76.637 22.434 -15.036 442 H ASP 56 H ASP 56 75.379 23.723 -8.888 443 HA ASP 56 HA ASP 56 76.524 25.986 -10.145 444 HB2 ASP 56 1HB ASP 56 74.083 24.853 -10.236 445 HB3 ASP 56 2HB ASP 56 73.743 26.183 -9.132 446 H VAL 57 H VAL 57 75.440 25.341 -6.888 447 HA VAL 57 HA VAL 57 75.219 27.969 -5.940 448 HB VAL 57 HB VAL 57 76.099 25.523 -4.399 449 HG11 VAL 57 1HG1 VAL 57 76.501 27.796 -3.356 450 HG12 VAL 57 2HG1 VAL 57 74.747 27.984 -3.321 451 HG13 VAL 57 3HG1 VAL 57 75.512 26.673 -2.423 452 HG21 VAL 57 3HG2 VAL 57 73.887 24.974 -4.049 453 HG22 VAL 57 1HG2 VAL 57 73.318 26.608 -4.391 454 HG23 VAL 57 2HG2 VAL 57 73.839 25.562 -5.711 455 H LYS 58 H LYS 58 77.987 25.730 -5.801 456 HA LYS 58 HA LYS 58 79.766 27.594 -4.631 457 HB2 LYS 58 1HB LYS 58 79.863 24.942 -4.987 458 HB3 LYS 58 2HB LYS 58 80.847 25.431 -6.361 459 HG2 LYS 58 1HG LYS 58 81.378 26.371 -3.557 460 HG3 LYS 58 2HG LYS 58 82.089 24.906 -4.236 461 HD2 LYS 58 1HD LYS 58 83.666 26.107 -5.242 462 HD3 LYS 58 2HD LYS 58 82.439 27.056 -6.085 463 HE2 LYS 58 1HE LYS 58 83.568 27.586 -3.339 464 HE3 LYS 58 2HE LYS 58 83.869 28.523 -4.802 465 HZ1 LYS 58 3HZ LYS 58 81.413 28.366 -3.181 466 HZ2 LYS 58 1HZ LYS 58 81.330 28.817 -4.809 467 HZ3 LYS 58 2HZ LYS 58 82.246 29.735 -3.724 468 H PHE 59 H PHE 59 79.162 26.622 -7.982 469 HA PHE 59 HA PHE 59 81.226 28.112 -9.168 470 HB2 PHE 59 1HB PHE 59 80.121 26.401 -10.442 471 HB3 PHE 59 2HB PHE 59 78.560 27.193 -10.252 472 HD1 PHE 59 HD1 PHE 59 78.023 29.204 -11.522 473 HD2 PHE 59 HD2 PHE 59 81.710 27.150 -12.070 474 HE1 PHE 59 HE1 PHE 59 78.382 30.418 -13.632 475 HE2 PHE 59 HE2 PHE 59 82.076 28.362 -14.180 476 HZ PHE 59 HZ PHE 59 80.411 29.999 -14.963 477 H ARG 60 H ARG 60 77.847 28.932 -8.483 478 HA ARG 60 HA ARG 60 78.035 31.551 -9.620 479 HB2 ARG 60 1HB ARG 60 75.893 30.381 -9.502 480 HB3 ARG 60 2HB ARG 60 75.984 30.358 -7.746 481 HG2 ARG 60 1HG ARG 60 74.478 32.088 -8.412 482 HG3 ARG 60 2HG ARG 60 75.938 32.838 -7.764 483 HD2 ARG 60 1HD ARG 60 75.888 32.334 -10.676 484 HD3 ARG 60 2HD ARG 60 74.797 33.581 -10.074 485 HE ARG 60 HE ARG 60 77.661 33.715 -10.236 486 HH11 ARG 60 1HH1 ARG 60 74.830 34.926 -8.611 487 HH12 ARG 60 2HH1 ARG 60 75.580 36.414 -8.134 488 HH21 ARG 60 1HH2 ARG 60 78.659 35.669 -9.615 489 HH22 ARG 60 2HH2 ARG 60 77.758 36.836 -8.707 490 H ALA 61 H ALA 61 78.359 30.184 -6.398 491 HA ALA 61 HA ALA 61 78.244 32.444 -4.822 492 HB1 ALA 61 1HB ALA 61 80.263 31.010 -3.646 493 HB2 ALA 61 2HB ALA 61 78.536 30.742 -3.404 494 HB3 ALA 61 3HB ALA 61 79.419 29.785 -4.593 495 H PHE 62 H PHE 62 81.389 30.989 -5.601 496 HA PHE 62 HA PHE 62 82.412 33.589 -6.439 497 HB2 PHE 62 1HB PHE 62 82.816 32.609 -3.826 498 HB3 PHE 62 2HB PHE 62 84.341 32.379 -4.675 499 HD1 PHE 62 HD1 PHE 62 81.744 34.935 -3.951 500 HD2 PHE 62 HD2 PHE 62 85.811 34.154 -4.935 501 HE1 PHE 62 HE1 PHE 62 82.277 37.315 -3.623 502 HE2 PHE 62 HE2 PHE 62 86.351 36.532 -4.608 503 HZ PHE 62 HZ PHE 62 84.583 38.116 -3.950 504 H GLU 63 H GLU 63 83.046 30.150 -5.916 505 HA GLU 63 HA GLU 63 84.322 28.636 -7.040 506 HB2 GLU 63 1HB GLU 63 82.684 29.432 -8.823 507 HB3 GLU 63 2HB GLU 63 83.991 30.436 -9.436 508 HG2 GLU 63 1HG GLU 63 85.311 28.174 -9.439 509 HG3 GLU 63 2HG GLU 63 83.693 27.477 -9.477 510 H ASN 64 H ASN 64 85.785 30.545 -5.626 511 HA ASN 64 HA ASN 64 88.299 30.403 -7.051 512 HB2 ASN 64 1HB ASN 64 86.954 32.685 -7.471 513 HB3 ASN 64 2HB ASN 64 87.735 33.105 -5.950 514 HD21 ASN 64 2HD2 ASN 64 88.513 31.601 -9.067 515 HD22 ASN 64 1HD2 ASN 64 90.046 32.376 -9.251 516 H VAL 65 H VAL 65 86.540 31.471 -4.180 517 HA VAL 65 HA VAL 65 88.609 31.831 -2.395 518 HB VAL 65 HB VAL 65 87.059 31.342 -0.610 519 HG11 VAL 65 1HG1 VAL 65 86.173 33.323 -1.076 520 HG12 VAL 65 2HG1 VAL 65 86.471 33.090 -2.800 521 HG13 VAL 65 3HG1 VAL 65 84.968 32.515 -2.079 522 HG21 VAL 65 3HG2 VAL 65 84.693 30.547 -1.431 523 HG22 VAL 65 1HG2 VAL 65 85.629 29.832 -2.744 524 HG23 VAL 65 2HG2 VAL 65 85.963 29.378 -1.073 525 H HIS 66 H HIS 66 89.083 30.335 -0.484 526 HA HIS 66 HA HIS 66 89.575 27.614 -1.503 527 HB2 HIS 66 1HB HIS 66 91.283 29.421 0.194 528 HB3 HIS 66 2HB HIS 66 91.532 27.678 0.174 529 HD1 HIS 66 HD1 HIS 66 92.124 26.649 -2.247 530 HD2 HIS 66 HD2 HIS 66 92.472 30.770 -1.855 531 HE1 HIS 66 HE1 HIS 66 93.533 27.393 -4.193 532 H HIS 67 H HIS 67 89.755 25.934 0.179 533 HA HIS 67 HA HIS 67 88.831 24.732 1.877 534 HB2 HIS 67 1HB HIS 67 89.128 27.442 3.152 535 HB3 HIS 67 2HB HIS 67 88.442 26.085 4.041 536 HD1 HIS 67 HD1 HIS 67 91.561 27.701 3.443 537 HD2 HIS 67 HD2 HIS 67 90.362 23.757 3.962 538 HE1 HIS 67 HE1 HIS 67 93.645 26.442 4.073 539 H ARG 68 H ARG 68 86.956 24.616 0.354 540 HA ARG 68 HA ARG 68 84.539 24.954 1.755 541 HB2 ARG 68 1HB ARG 68 83.483 26.744 0.707 542 HB3 ARG 68 2HB ARG 68 85.117 27.346 0.946 543 HG2 ARG 68 1HG ARG 68 84.021 26.200 -1.614 544 HG3 ARG 68 2HG ARG 68 84.268 27.912 -1.264 545 HD2 ARG 68 1HD ARG 68 86.681 27.463 -0.966 546 HD3 ARG 68 2HD ARG 68 86.398 25.783 -1.420 547 HE ARG 68 HE ARG 68 86.494 28.070 -3.176 548 HH11 ARG 68 1HH1 ARG 68 85.426 24.782 -2.765 549 HH12 ARG 68 2HH1 ARG 68 85.343 24.459 -4.465 550 HH21 ARG 68 1HH2 ARG 68 86.388 27.657 -5.416 551 HH22 ARG 68 2HH2 ARG 68 85.891 26.094 -5.972 552 H THR 69 H THR 69 82.679 24.187 0.542 553 HA THR 69 HA THR 69 83.182 22.992 -2.057 554 HB THR 69 HB THR 69 82.278 21.230 0.224 555 HG1 THR 69 HG1 THR 69 84.495 20.291 -0.313 556 HG21 THR 69 3HG2 THR 69 82.670 19.417 -1.367 557 HG22 THR 69 1HG2 THR 69 83.160 20.586 -2.593 558 HG23 THR 69 2HG2 THR 69 81.497 20.568 -2.007 559 H TYR 70 H TYR 70 81.306 22.486 -3.202 560 HA TYR 70 HA TYR 70 79.093 24.064 -2.862 561 HB2 TYR 70 1HB TYR 70 77.894 22.359 -4.313 562 HB3 TYR 70 2HB TYR 70 79.402 22.996 -4.960 563 HD1 TYR 70 HD1 TYR 70 77.737 20.047 -3.557 564 HD2 TYR 70 HD2 TYR 70 81.359 21.583 -5.180 565 HE1 TYR 70 HE1 TYR 70 78.582 17.753 -3.826 566 HE2 TYR 70 HE2 TYR 70 82.213 19.293 -5.455 567 HH TYR 70 HH TYR 70 80.198 16.515 -5.030 568 H VAL 71 H VAL 71 79.594 20.772 -1.662 569 HA VAL 71 HA VAL 71 77.008 20.400 -0.599 570 HB VAL 71 HB VAL 71 78.501 18.514 -0.965 571 HG11 VAL 71 1HG1 VAL 71 80.135 19.074 1.433 572 HG12 VAL 71 2HG1 VAL 71 80.571 18.275 -0.079 573 HG13 VAL 71 3HG1 VAL 71 80.486 20.036 -0.003 574 HG21 VAL 71 3HG2 VAL 71 78.411 18.021 1.824 575 HG22 VAL 71 1HG2 VAL 71 77.006 19.002 1.406 576 HG23 VAL 71 2HG2 VAL 71 77.291 17.471 0.578 577 H ASP 72 H ASP 72 79.967 21.761 0.749 578 HA ASP 72 HA ASP 72 79.111 21.951 3.424 579 HB2 ASP 72 1HB ASP 72 81.095 23.661 1.908 580 HB3 ASP 72 2HB ASP 72 80.908 23.642 3.660 581 H LEU 73 H LEU 73 78.649 24.036 0.641 582 HA LEU 73 HA LEU 73 77.652 26.277 2.071 583 HB2 LEU 73 1HB LEU 73 77.035 25.529 -0.779 584 HB3 LEU 73 2HB LEU 73 76.972 27.134 -0.054 585 HG LEU 73 HG LEU 73 79.422 25.510 -0.717 586 HD11 LEU 73 1HD1 LEU 73 79.828 27.848 -1.879 587 HD12 LEU 73 2HD1 LEU 73 78.066 27.896 -1.852 588 HD13 LEU 73 3HD1 LEU 73 78.899 26.571 -2.664 589 HD21 LEU 73 3HD2 LEU 73 79.034 27.746 1.174 590 HD22 LEU 73 1HD2 LEU 73 80.417 27.866 0.086 591 HD23 LEU 73 2HD2 LEU 73 80.253 26.471 1.153 592 H LYS 74 H LYS 74 75.991 23.772 0.151 593 HA LYS 74 HA LYS 74 73.380 24.580 0.776 594 HB2 LYS 74 1HB LYS 74 74.017 23.015 -1.063 595 HB3 LYS 74 2HB LYS 74 74.314 21.775 0.148 596 HG2 LYS 74 1HG LYS 74 72.196 21.221 -0.457 597 HG3 LYS 74 2HG LYS 74 71.838 22.355 0.848 598 HD2 LYS 74 1HD LYS 74 71.330 24.092 -0.667 599 HD3 LYS 74 2HD LYS 74 72.052 23.224 -2.024 600 HE2 LYS 74 1HE LYS 74 69.711 23.029 -2.286 601 HE3 LYS 74 2HE LYS 74 70.270 21.468 -1.687 602 HZ1 LYS 74 3HZ LYS 74 68.889 23.598 -0.158 603 HZ2 LYS 74 1HZ LYS 74 69.642 22.275 0.580 604 HZ3 LYS 74 2HZ LYS 74 68.341 22.028 -0.472 605 H ASP 75 H ASP 75 75.486 22.168 2.305 606 HA ASP 75 HA ASP 75 73.634 21.273 4.224 607 HB2 ASP 75 1HB ASP 75 75.861 20.208 3.559 608 HB3 ASP 75 2HB ASP 75 76.617 21.368 4.647 609 H LYS 76 H LYS 76 75.945 23.931 4.234 610 HA LYS 76 HA LYS 76 75.709 24.610 6.960 611 HB2 LYS 76 1HB LYS 76 76.715 25.954 4.505 612 HB3 LYS 76 2HB LYS 76 76.355 26.975 5.891 613 HG2 LYS 76 1HG LYS 76 78.222 24.612 5.902 614 HG3 LYS 76 2HG LYS 76 78.706 26.307 5.821 615 HD2 LYS 76 1HD LYS 76 76.897 25.813 8.029 616 HD3 LYS 76 2HD LYS 76 78.332 24.787 8.119 617 HE2 LYS 76 1HE LYS 76 78.342 27.786 7.783 618 HE3 LYS 76 2HE LYS 76 78.628 26.929 9.297 619 HZ1 LYS 76 3HZ LYS 76 80.558 25.868 8.261 620 HZ2 LYS 76 1HZ LYS 76 80.707 27.553 8.284 621 HZ3 LYS 76 2HZ LYS 76 80.298 26.759 6.847 622 H TRP 77 H TRP 77 73.911 25.607 4.093 623 HA TRP 77 HA TRP 77 72.397 27.648 5.307 624 HB2 TRP 77 1HB TRP 77 72.248 27.765 3.016 625 HB3 TRP 77 2HB TRP 77 72.163 26.016 2.825 626 HD1 TRP 77 HD1 TRP 77 69.958 29.071 3.459 627 HE1 TRP 77 HE1 TRP 77 67.499 28.406 3.087 628 HE3 TRP 77 HE3 TRP 77 70.556 24.023 2.913 629 HZ2 TRP 77 HZ2 TRP 77 66.010 26.053 2.625 630 HZ3 TRP 77 HZ3 TRP 77 68.564 22.637 2.509 631 HH2 TRP 77 HH2 TRP 77 66.339 23.632 2.369 632 H LYS 78 H LYS 78 71.744 24.195 4.830 633 HA LYS 78 HA LYS 78 69.147 24.178 5.903 634 HB2 LYS 78 1HB LYS 78 69.936 22.307 4.606 635 HB3 LYS 78 2HB LYS 78 71.241 22.006 5.746 636 HG2 LYS 78 1HG LYS 78 69.499 20.379 6.059 637 HG3 LYS 78 2HG LYS 78 69.572 21.441 7.467 638 HD2 LYS 78 1HD LYS 78 67.669 22.705 6.641 639 HD3 LYS 78 2HD LYS 78 67.623 21.718 5.179 640 HE2 LYS 78 1HE LYS 78 66.029 20.642 6.403 641 HE3 LYS 78 2HE LYS 78 67.453 19.758 6.950 642 HZ1 LYS 78 3HZ LYS 78 67.562 21.338 8.846 643 HZ2 LYS 78 1HZ LYS 78 66.182 20.359 8.848 644 HZ3 LYS 78 2HZ LYS 78 66.072 21.973 8.358 645 H THR 79 H THR 79 72.315 23.777 7.411 646 HA THR 79 HA THR 79 71.304 23.144 9.998 647 HB THR 79 HB THR 79 74.002 24.385 9.575 648 HG1 THR 79 HG1 THR 79 73.557 21.623 9.160 649 HG21 THR 79 3HG2 THR 79 72.926 22.209 11.369 650 HG22 THR 79 1HG2 THR 79 73.415 23.834 11.847 651 HG23 THR 79 2HG2 THR 79 74.623 22.680 11.281 652 H LEU 80 H LEU 80 72.714 26.111 8.616 653 HA LEU 80 HA LEU 80 72.386 27.725 10.880 654 HB2 LEU 80 1HB LEU 80 73.220 29.366 9.599 655 HB3 LEU 80 2HB LEU 80 73.529 28.055 8.462 656 HG LEU 80 HG LEU 80 71.168 28.674 7.538 657 HD11 LEU 80 1HD1 LEU 80 71.370 30.552 9.583 658 HD12 LEU 80 2HD1 LEU 80 70.182 30.518 8.281 659 HD13 LEU 80 3HD1 LEU 80 71.663 31.458 8.098 660 HD21 LEU 80 3HD2 LEU 80 73.597 29.032 6.605 661 HD22 LEU 80 1HD2 LEU 80 73.241 30.727 6.937 662 HD23 LEU 80 2HD2 LEU 80 72.209 29.809 5.840 663 H VAL 81 H VAL 81 70.177 26.889 8.284 664 HA VAL 81 HA VAL 81 68.192 28.824 8.874 665 HB VAL 81 HB VAL 81 68.202 26.260 7.325 666 HG11 VAL 81 1HG1 VAL 81 65.772 27.070 6.711 667 HG12 VAL 81 2HG1 VAL 81 66.058 26.007 8.090 668 HG13 VAL 81 3HG1 VAL 81 65.827 27.737 8.343 669 HG21 VAL 81 3HG2 VAL 81 68.376 27.595 5.535 670 HG22 VAL 81 1HG2 VAL 81 67.144 28.707 6.132 671 HG23 VAL 81 2HG2 VAL 81 68.811 28.855 6.688 672 H HIS 82 H HIS 82 68.564 25.411 9.789 673 HA HIS 82 HA HIS 82 66.181 25.163 11.239 674 HB2 HIS 82 1HB HIS 82 67.594 23.252 10.541 675 HB3 HIS 82 2HB HIS 82 68.801 23.731 11.730 676 HD1 HIS 82 HD1 HIS 82 68.644 21.721 13.243 677 HD2 HIS 82 HD2 HIS 82 64.960 23.513 12.553 678 HE1 HIS 82 HE1 HIS 82 67.048 20.611 14.838 679 H THR 83 H THR 83 69.369 26.319 12.184 680 HA THR 83 HA THR 83 68.768 26.511 14.970 681 HB THR 83 HB THR 83 70.951 27.859 13.368 682 HG1 THR 83 HG1 THR 83 71.413 25.734 13.308 683 HG21 THR 83 3HG2 THR 83 72.063 28.201 15.510 684 HG22 THR 83 1HG2 THR 83 70.698 27.472 16.354 685 HG23 THR 83 2HG2 THR 83 70.492 29.002 15.500 686 H ALA 84 H ALA 84 68.416 28.619 12.212 687 HA ALA 84 HA ALA 84 67.844 30.946 13.847 688 HB1 ALA 84 1HB ALA 84 67.931 32.191 11.919 689 HB2 ALA 84 2HB ALA 84 68.995 30.849 11.498 690 HB3 ALA 84 3HB ALA 84 67.333 30.873 10.911 691 H SER 85 H SER 85 66.148 28.258 12.893 692 HA SER 85 HA SER 85 63.583 29.691 12.783 693 HB2 SER 85 1HB SER 85 64.046 28.180 10.887 694 HB3 SER 85 2HB SER 85 64.212 26.831 12.010 695 HG SER 85 HG SER 85 61.949 28.049 11.046 696 H ILE 86 H ILE 86 65.380 27.215 14.495 697 HA ILE 86 HA ILE 86 63.420 26.082 16.070 698 HB ILE 86 HB ILE 86 65.238 25.829 17.823 699 HG12 ILE 86 1HG1 ILE 86 66.983 27.037 15.671 700 HG13 ILE 86 2HG1 ILE 86 66.447 27.923 17.095 701 HG21 ILE 86 1HG2 ILE 86 64.903 24.632 15.286 702 HG22 ILE 86 2HG2 ILE 86 66.636 24.761 15.581 703 HG23 ILE 86 3HG2 ILE 86 65.604 23.927 16.742 704 HD11 ILE 86 3HD1 ILE 86 68.590 27.190 17.626 705 HD12 ILE 86 1HD1 ILE 86 67.526 26.045 18.443 706 HD13 ILE 86 2HD1 ILE 86 68.316 25.592 16.932 707 H ALA 87 H ALA 87 63.246 26.430 18.522 708 HA ALA 87 HA ALA 87 62.066 28.951 18.980 709 HB1 ALA 87 1HB ALA 87 61.118 27.352 20.306 710 HB2 ALA 87 2HB ALA 87 62.658 26.561 20.646 711 HB3 ALA 87 3HB ALA 87 62.243 28.069 21.460 712 HA PRO 88 HA PRO 88 65.329 31.502 20.429 713 HB2 PRO 88 1HB PRO 88 64.139 32.863 22.454 714 HB3 PRO 88 2HB PRO 88 63.763 33.152 20.752 715 HG2 PRO 88 1HG PRO 88 62.271 31.522 22.772 716 HG3 PRO 88 2HG PRO 88 61.640 32.649 21.557 717 HD2 PRO 88 1HD PRO 88 61.610 29.964 21.207 718 HD3 PRO 88 2HD PRO 88 61.796 31.101 19.856 719 H GLN 89 H GLN 89 63.711 29.450 22.757 720 HA GLN 89 HA GLN 89 65.270 29.834 25.012 721 HB2 GLN 89 1HB GLN 89 64.542 27.675 25.748 722 HB3 GLN 89 2HB GLN 89 63.218 28.407 24.850 723 HG2 GLN 89 1HG GLN 89 63.733 27.057 22.916 724 HG3 GLN 89 2HG GLN 89 65.141 26.380 23.732 725 HE21 GLN 89 2HE2 GLN 89 61.648 26.506 23.679 726 HE22 GLN 89 1HE2 GLN 89 61.388 25.051 24.574 727 H GLN 90 H GLN 90 66.047 28.230 22.035 728 HA GLN 90 HA GLN 90 68.442 27.006 23.149 729 HB2 GLN 90 1HB GLN 90 67.526 27.019 20.272 730 HB3 GLN 90 2HB GLN 90 68.715 25.951 21.007 731 HG2 GLN 90 1HG GLN 90 65.827 26.014 21.833 732 HG3 GLN 90 2HG GLN 90 66.456 24.949 20.576 733 HE21 GLN 90 2HE2 GLN 90 68.166 23.459 21.199 734 HE22 GLN 90 1HE2 GLN 90 68.180 22.824 22.806 735 H ARG 91 H ARG 91 67.731 29.157 20.390 736 HA ARG 91 HA ARG 91 69.136 30.572 19.238 737 HB2 ARG 91 1HB ARG 91 69.855 32.457 20.608 738 HB3 ARG 91 2HB ARG 91 68.233 31.951 21.060 739 HG2 ARG 91 1HG ARG 91 68.949 31.029 23.075 740 HG3 ARG 91 2HG ARG 91 70.633 30.964 22.552 741 HD2 ARG 91 1HD ARG 91 70.980 33.204 22.935 742 HD3 ARG 91 2HD ARG 91 69.279 33.612 22.719 743 HE ARG 91 HE ARG 91 69.316 32.097 24.980 744 HH11 ARG 91 1HH1 ARG 91 70.980 34.972 23.938 745 HH12 ARG 91 2HH1 ARG 91 71.134 35.620 25.538 746 HH21 ARG 91 1HH2 ARG 91 69.513 32.939 27.091 747 HH22 ARG 91 2HH2 ARG 91 70.300 34.463 27.330 748 H ARG 92 H ARG 92 70.423 28.141 19.607 749 HA ARG 92 HA ARG 92 73.106 28.706 20.578 750 HB2 ARG 92 1HB ARG 92 71.673 26.463 20.734 751 HB3 ARG 92 2HB ARG 92 72.449 26.157 19.186 752 HG2 ARG 92 1HG ARG 92 74.525 25.951 20.107 753 HG3 ARG 92 2HG ARG 92 74.152 27.020 21.461 754 HD2 ARG 92 1HD ARG 92 74.302 24.884 22.413 755 HD3 ARG 92 2HD ARG 92 72.572 25.184 22.255 756 HE ARG 92 HE ARG 92 73.251 23.880 19.956 757 HH11 ARG 92 1HH1 ARG 92 73.582 23.210 23.357 758 HH12 ARG 92 2HH1 ARG 92 73.483 21.492 23.161 759 HH21 ARG 92 1HH2 ARG 92 73.119 21.619 19.685 760 HH22 ARG 92 2HH2 ARG 92 73.220 20.588 21.072 761 H GLY 93 H GLY 93 73.957 30.173 19.119 762 HA2 GLY 93 1HA GLY 93 74.945 29.026 16.662 763 HA3 GLY 93 2HA GLY 93 73.782 30.321 16.417 764 H ALA 94 H ALA 94 76.476 30.388 15.555 765 HA ALA 94 HA ALA 94 78.248 31.705 17.247 766 HB1 ALA 94 1HB ALA 94 79.556 31.610 15.456 767 HB2 ALA 94 2HB ALA 94 78.187 30.965 14.550 768 HB3 ALA 94 3HB ALA 94 78.497 32.702 14.563 769 HA PRO 95 HA PRO 95 76.823 35.827 17.729 770 HB2 PRO 95 1HB PRO 95 79.108 37.275 17.502 771 HB3 PRO 95 2HB PRO 95 78.750 36.259 18.904 772 HG2 PRO 95 1HG PRO 95 80.483 35.675 16.533 773 HG3 PRO 95 2HG PRO 95 80.785 35.344 18.249 774 HD2 PRO 95 1HD PRO 95 79.930 33.438 16.527 775 HD3 PRO 95 2HD PRO 95 79.477 33.447 18.244 776 H VAL 96 H VAL 96 75.663 35.627 15.611 777 HA VAL 96 HA VAL 96 76.848 37.432 13.603 778 HB VAL 96 HB VAL 96 75.206 36.248 12.005 779 HG11 VAL 96 1HG1 VAL 96 77.656 34.853 13.075 780 HG12 VAL 96 2HG1 VAL 96 76.860 34.458 11.550 781 HG13 VAL 96 3HG1 VAL 96 77.596 36.045 11.777 782 HG21 VAL 96 3HG2 VAL 96 74.150 34.362 12.625 783 HG22 VAL 96 1HG2 VAL 96 75.517 33.794 13.584 784 HG23 VAL 96 2HG2 VAL 96 74.391 34.970 14.262 785 HA PRO 97 HA PRO 97 73.419 40.136 14.046 786 HB2 PRO 97 1HB PRO 97 73.087 41.020 11.500 787 HB3 PRO 97 2HB PRO 97 74.447 41.510 12.517 788 HG2 PRO 97 1HG PRO 97 74.340 39.423 10.373 789 HG3 PRO 97 2HG PRO 97 75.598 40.630 10.698 790 HD2 PRO 97 1HD PRO 97 75.826 38.045 11.470 791 HD3 PRO 97 2HD PRO 97 76.532 39.385 12.397 792 H GLN 98 H GLN 98 71.190 40.320 13.751 793 HA GLN 98 HA GLN 98 69.760 37.981 13.253 794 HB2 GLN 98 1HB GLN 98 68.711 40.812 13.112 795 HB3 GLN 98 2HB GLN 98 67.755 39.358 13.367 796 HG2 GLN 98 1HG GLN 98 69.186 39.003 15.454 797 HG3 GLN 98 2HG GLN 98 69.686 40.680 15.235 798 HE21 GLN 98 2HE2 GLN 98 68.271 42.313 15.685 799 HE22 GLN 98 1HE2 GLN 98 66.735 42.061 16.434 800 H GLU 99 H GLU 99 70.806 40.497 11.098 801 HA GLU 99 HA GLU 99 69.068 40.246 8.973 802 HB2 GLU 99 1HB GLU 99 70.960 40.951 7.536 803 HB3 GLU 99 2HB GLU 99 70.801 41.930 8.988 804 HG2 GLU 99 1HG GLU 99 72.538 40.068 9.859 805 HG3 GLU 99 2HG GLU 99 72.961 40.122 8.149 806 H LEU 100 H LEU 100 71.891 38.250 9.743 807 HA LEU 100 HA LEU 100 71.935 36.659 7.463 808 HB2 LEU 100 1HB LEU 100 72.589 35.839 10.289 809 HB3 LEU 100 2HB LEU 100 73.103 35.004 8.825 810 HG LEU 100 HG LEU 100 74.107 37.550 10.013 811 HD11 LEU 100 1HD1 LEU 100 76.173 36.539 9.882 812 HD12 LEU 100 2HD1 LEU 100 75.691 35.481 8.556 813 HD13 LEU 100 3HD1 LEU 100 75.119 35.160 10.192 814 HD21 LEU 100 3HD2 LEU 100 74.241 36.819 7.091 815 HD22 LEU 100 1HD2 LEU 100 75.231 38.056 7.865 816 HD23 LEU 100 2HD2 LEU 100 73.479 38.246 7.796 817 H LEU 101 H LEU 101 70.096 36.260 10.464 818 HA LEU 101 HA LEU 101 68.901 33.790 9.666 819 HB2 LEU 101 1HB LEU 101 68.050 35.753 11.789 820 HB3 LEU 101 2HB LEU 101 67.456 34.103 11.614 821 HG LEU 101 HG LEU 101 68.981 33.656 13.200 822 HD11 LEU 101 1HD1 LEU 101 69.859 32.713 10.998 823 HD12 LEU 101 2HD1 LEU 101 70.986 32.800 12.351 824 HD13 LEU 101 3HD1 LEU 101 71.060 34.003 11.064 825 HD21 LEU 101 3HD2 LEU 101 69.422 36.055 13.570 826 HD22 LEU 101 1HD2 LEU 101 70.645 36.005 12.299 827 HD23 LEU 101 2HD2 LEU 101 70.865 35.059 13.771 828 H ASP 102 H ASP 102 68.163 37.143 9.203 829 HA ASP 102 HA ASP 102 65.404 36.759 8.523 830 HB2 ASP 102 1HB ASP 102 66.503 38.915 9.370 831 HB3 ASP 102 2HB ASP 102 67.094 39.122 7.723 832 H ARG 103 H ARG 103 68.423 37.120 6.720 833 HA ARG 103 HA ARG 103 67.221 37.149 4.149 834 HB2 ARG 103 1HB ARG 103 69.517 36.684 3.327 835 HB3 ARG 103 2HB ARG 103 69.446 38.036 4.449 836 HG2 ARG 103 1HG ARG 103 70.209 36.527 6.253 837 HG3 ARG 103 2HG ARG 103 70.376 35.239 5.058 838 HD2 ARG 103 1HD ARG 103 71.828 37.883 5.022 839 HD3 ARG 103 2HD ARG 103 72.517 36.337 5.514 840 HE ARG 103 HE ARG 103 72.580 35.672 3.283 841 HH11 ARG 103 1HH1 ARG 103 71.083 38.796 3.635 842 HH12 ARG 103 2HH1 ARG 103 71.177 39.176 1.948 843 HH21 ARG 103 1HH2 ARG 103 72.710 36.162 1.058 844 HH22 ARG 103 2HH2 ARG 103 72.102 37.677 0.483 845 H VAL 104 H VAL 104 68.696 34.588 6.110 846 HA VAL 104 HA VAL 104 68.406 32.531 4.190 847 HB VAL 104 HB VAL 104 68.764 30.973 6.060 848 HG11 VAL 104 1HG1 VAL 104 70.799 32.790 6.891 849 HG12 VAL 104 2HG1 VAL 104 70.925 31.409 5.800 850 HG13 VAL 104 3HG1 VAL 104 70.513 33.003 5.164 851 HG21 VAL 104 3HG2 VAL 104 69.340 32.316 8.286 852 HG22 VAL 104 1HG2 VAL 104 68.098 33.389 7.642 853 HG23 VAL 104 2HG2 VAL 104 67.725 31.693 7.951 854 H LEU 105 H LEU 105 66.354 33.658 6.837 855 HA LEU 105 HA LEU 105 64.423 31.591 6.620 856 HB2 LEU 105 1HB LEU 105 64.478 34.298 7.889 857 HB3 LEU 105 2HB LEU 105 62.967 33.395 7.795 858 HG LEU 105 HG LEU 105 65.486 32.490 9.190 859 HD11 LEU 105 1HD1 LEU 105 62.988 32.911 10.683 860 HD12 LEU 105 2HD1 LEU 105 63.763 34.373 10.073 861 HD13 LEU 105 3HD1 LEU 105 64.656 33.276 11.125 862 HD21 LEU 105 3HD2 LEU 105 63.267 30.996 10.014 863 HD22 LEU 105 1HD2 LEU 105 64.636 30.444 9.048 864 HD23 LEU 105 2HD2 LEU 105 63.183 31.048 8.252 865 H ALA 106 H ALA 106 64.391 34.980 5.514 866 HA ALA 106 HA ALA 106 61.939 34.933 4.204 867 HB1 ALA 106 1HB ALA 106 62.621 36.917 3.093 868 HB2 ALA 106 2HB ALA 106 63.360 36.948 4.694 869 HB3 ALA 106 3HB ALA 106 64.328 36.517 3.285 870 H ALA 107 H ALA 107 65.172 34.169 2.953 871 HA ALA 107 HA ALA 107 64.404 33.694 0.289 872 HB1 ALA 107 1HB ALA 107 66.549 32.879 -0.055 873 HB2 ALA 107 2HB ALA 107 66.759 33.977 1.309 874 HB3 ALA 107 3HB ALA 107 66.677 32.237 1.583 875 H GLN 108 H GLN 108 64.655 31.537 3.085 876 HA GLN 108 HA GLN 108 64.243 29.099 1.838 877 HB2 GLN 108 1HB GLN 108 64.687 29.724 4.348 878 HB3 GLN 108 2HB GLN 108 62.934 29.665 4.469 879 HG2 GLN 108 1HG GLN 108 64.634 27.410 3.436 880 HG3 GLN 108 2HG GLN 108 64.078 27.558 5.102 881 HE21 GLN 108 2HE2 GLN 108 63.540 25.684 2.738 882 HE22 GLN 108 1HE2 GLN 108 61.819 25.542 2.724 883 H ALA 109 H ALA 109 61.815 31.366 3.102 884 HA ALA 109 HA ALA 109 59.603 29.776 2.217 885 HB1 ALA 109 1HB ALA 109 59.043 32.600 2.685 886 HB2 ALA 109 2HB ALA 109 58.366 31.165 3.456 887 HB3 ALA 109 3HB ALA 109 59.904 31.824 4.014 888 H TYR 110 H TYR 110 61.535 32.335 0.862 889 HA TYR 110 HA TYR 110 59.790 33.244 -1.135 890 HB2 TYR 110 1HB TYR 110 62.723 33.320 -0.678 891 HB3 TYR 110 2HB TYR 110 62.171 33.610 -2.324 892 HD1 TYR 110 HD2 TYR 110 59.669 35.086 -1.875 893 HD2 TYR 110 HD1 TYR 110 63.420 35.395 0.110 894 HE1 TYR 110 HE2 TYR 110 59.164 37.423 -1.296 895 HE2 TYR 110 HE1 TYR 110 62.925 37.733 0.695 896 HH TYR 110 HH TYR 110 59.958 39.317 -0.425 897 H TRP 111 H TRP 111 62.193 30.637 -1.165 898 HA TRP 111 HA TRP 111 61.786 29.925 -3.882 899 HB2 TRP 111 1HB TRP 111 62.790 28.069 -1.727 900 HB3 TRP 111 2HB TRP 111 63.172 28.047 -3.446 901 HD1 TRP 111 HD1 TRP 111 64.031 31.051 -3.864 902 HE1 TRP 111 HE1 TRP 111 66.213 31.924 -2.815 903 HE3 TRP 111 HE3 TRP 111 64.613 27.560 -0.174 904 HZ2 TRP 111 HZ2 TRP 111 67.952 31.225 -0.704 905 HZ3 TRP 111 HZ3 TRP 111 66.562 27.733 1.316 906 HH2 TRP 111 HH2 TRP 111 68.197 29.528 1.055 907 H SER 112 H SER 112 60.008 29.335 -1.020 908 HA SER 112 HA SER 112 58.760 26.896 -1.832 909 HB2 SER 112 1HB SER 112 58.984 27.970 0.555 910 HB3 SER 112 2HB SER 112 57.484 28.786 0.115 911 HG SER 112 HG SER 112 56.437 26.916 0.132 912 H VAL 113 H VAL 113 57.357 26.711 -3.436 913 HA VAL 113 HA VAL 113 55.747 29.043 -4.207 914 HB VAL 113 HB VAL 113 56.547 26.560 -5.710 915 HG11 VAL 113 1HG1 VAL 113 55.191 27.490 -7.599 916 HG12 VAL 113 2HG1 VAL 113 54.242 26.859 -6.251 917 HG13 VAL 113 3HG1 VAL 113 54.454 28.600 -6.443 918 HG21 VAL 113 3HG2 VAL 113 57.570 28.108 -7.243 919 HG22 VAL 113 1HG2 VAL 113 56.885 29.482 -6.374 920 HG23 VAL 113 2HG2 VAL 113 58.119 28.480 -5.609 921 H ASP 114 H ASP 114 55.543 25.770 -3.041 922 HA ASP 114 HA ASP 114 53.813 24.573 -2.169 923 HB2 ASP 114 1HB ASP 114 53.236 26.876 -1.201 924 HB3 ASP 114 2HB ASP 114 52.051 26.996 -2.499 925 H SER 115 H SER 115 54.300 24.066 -4.729 926 HA SER 115 HA SER 115 52.223 24.492 -6.566 927 HB2 SER 115 1HB SER 115 54.266 23.759 -7.481 928 HB3 SER 115 2HB SER 115 54.386 22.406 -6.356 929 HG SER 115 HG SER 115 53.740 21.701 -8.419 930 H SER 116 H SER 116 52.981 21.418 -4.921 931 HA SER 116 HA SER 116 50.210 20.990 -4.250 932 HB2 SER 116 1HB SER 116 51.540 19.483 -6.482 933 HB3 SER 116 2HB SER 116 50.304 18.699 -5.499 934 HG SER 116 HG SER 116 50.022 20.528 -7.473 935 H GLY 117 H GLY 117 49.929 18.780 -3.201 936 HA2 GLY 117 1HA GLY 117 52.334 17.544 -2.175 937 HA3 GLY 117 2HA GLY 117 51.441 18.475 -0.982 938 H ARG 118 H ARG 118 50.901 15.968 -3.455 939 HA ARG 118 HA ARG 118 48.505 14.993 -2.349 940 HB2 ARG 118 1HB ARG 118 49.745 14.552 -4.666 941 HB3 ARG 118 2HB ARG 118 50.315 13.129 -3.804 942 HG2 ARG 118 1HG ARG 118 48.283 12.145 -3.802 943 HG3 ARG 118 2HG ARG 118 47.420 13.677 -3.653 944 HD2 ARG 118 1HD ARG 118 47.669 14.140 -5.968 945 HD3 ARG 118 2HD ARG 118 48.826 12.825 -6.173 946 HE ARG 118 HE ARG 118 46.249 11.949 -5.260 947 HH11 ARG 118 1HH1 ARG 118 48.166 12.764 -8.050 948 HH12 ARG 118 2HH1 ARG 118 47.227 11.798 -9.140 949 HH21 ARG 118 1HH2 ARG 118 45.005 10.674 -6.685 950 HH22 ARG 118 2HH2 ARG 118 45.429 10.610 -8.362 951 H ILE 119 H ILE 119 48.372 12.576 -1.657 952 HA ILE 119 HA ILE 119 49.988 12.338 0.740 953 HB ILE 119 HB ILE 119 48.522 10.388 1.245 954 HG12 ILE 119 1HG1 ILE 119 46.726 11.205 -0.998 955 HG13 ILE 119 2HG1 ILE 119 48.080 10.138 -1.356 956 HG21 ILE 119 1HG2 ILE 119 47.085 11.791 2.221 957 HG22 ILE 119 2HG2 ILE 119 47.976 13.076 1.408 958 HG23 ILE 119 3HG2 ILE 119 46.513 12.417 0.675 959 HD11 ILE 119 3HD1 ILE 119 46.750 8.463 -0.786 960 HD12 ILE 119 1HD1 ILE 119 46.910 9.012 0.882 961 HD13 ILE 119 2HD1 ILE 119 45.548 9.556 -0.100 962 H VAL 120 H VAL 120 51.766 12.047 -1.142 963 HA VAL 120 HA VAL 120 52.145 9.653 -2.453 964 HB VAL 120 HB VAL 120 54.317 11.270 -1.115 965 HG11 VAL 120 1HG1 VAL 120 55.460 10.347 -3.334 966 HG12 VAL 120 2HG1 VAL 120 55.471 9.440 -1.819 967 HG13 VAL 120 3HG1 VAL 120 54.297 9.047 -3.076 968 HG21 VAL 120 3HG2 VAL 120 53.112 12.794 -2.449 969 HG22 VAL 120 1HG2 VAL 120 54.491 12.301 -3.431 970 HG23 VAL 120 2HG2 VAL 120 52.897 11.615 -3.743 971 H THR 121 H THR 121 52.188 7.637 -1.738 972 HA THR 121 HA THR 121 53.728 6.952 0.625 973 HB THR 121 HB THR 121 50.883 5.979 0.506 974 HG1 THR 121 HG1 THR 121 51.915 8.325 1.739 975 HG21 THR 121 3HG2 THR 121 51.668 4.684 2.150 976 HG22 THR 121 1HG2 THR 121 51.776 6.145 3.131 977 HG23 THR 121 2HG2 THR 121 53.183 5.583 2.228 978 H LEU 122 H LEU 122 54.916 6.042 -1.250 979 HA LEU 122 HA LEU 122 53.951 4.041 -2.918 980 HB2 LEU 122 1HB LEU 122 56.241 5.286 -2.836 981 HB3 LEU 122 2HB LEU 122 56.735 3.920 -1.837 982 HG LEU 122 HG LEU 122 55.516 3.443 -4.528 983 HD11 LEU 122 1HD1 LEU 122 57.776 5.028 -4.197 984 HD12 LEU 122 2HD1 LEU 122 57.261 4.207 -5.670 985 HD13 LEU 122 3HD1 LEU 122 58.401 3.423 -4.577 986 HD21 LEU 122 3HD2 LEU 122 55.785 1.417 -3.515 987 HD22 LEU 122 1HD2 LEU 122 57.155 1.957 -2.545 988 HD23 LEU 122 2HD2 LEU 122 57.378 1.585 -4.254 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.520 -4.753 18.129 2 HA2 GLY 1 1HA GLY 1 1.080 -1.939 17.480 3 HA3 GLY 1 2HA GLY 1 2.179 -2.564 18.699 4 H SER 2 H SER 2 4.245 -2.273 18.242 5 HA SER 2 HA SER 2 5.507 -3.076 15.887 6 HB2 SER 2 1HB SER 2 4.223 -0.522 15.658 7 HB3 SER 2 2HB SER 2 5.970 -0.295 15.586 8 HG SER 2 HG SER 2 6.047 -1.354 13.745 9 HA PRO 3 HA PRO 3 8.593 -0.382 18.436 10 HB2 PRO 3 1HB PRO 3 7.579 1.115 20.461 11 HB3 PRO 3 2HB PRO 3 7.728 1.714 18.804 12 HG2 PRO 3 1HG PRO 3 5.325 0.617 20.214 13 HG3 PRO 3 2HG PRO 3 5.449 2.027 19.146 14 HD2 PRO 3 1HD PRO 3 4.497 -0.362 18.299 15 HD3 PRO 3 2HD PRO 3 5.390 0.742 17.234 16 H PHE 4 H PHE 4 9.627 -1.897 19.570 17 HA PHE 4 HA PHE 4 8.257 -3.445 21.596 18 HB2 PHE 4 1HB PHE 4 9.745 -4.647 20.132 19 HB3 PHE 4 2HB PHE 4 11.075 -3.557 20.510 20 HD1 PHE 4 HD2 PHE 4 8.694 -5.836 22.259 21 HD2 PHE 4 HD1 PHE 4 12.645 -4.270 22.020 22 HE1 PHE 4 HE2 PHE 4 9.394 -7.332 24.082 23 HE2 PHE 4 HE1 PHE 4 13.351 -5.764 23.843 24 HZ PHE 4 HZ PHE 4 11.725 -7.297 24.877 25 H ALA 5 H ALA 5 11.337 -1.641 21.558 26 HA ALA 5 HA ALA 5 10.783 -0.824 24.333 27 HB1 ALA 5 1HB ALA 5 13.337 -0.920 24.608 28 HB2 ALA 5 2HB ALA 5 12.438 -2.437 24.631 29 HB3 ALA 5 3HB ALA 5 13.309 -1.950 23.177 30 H ASP 6 H ASP 6 12.557 0.954 24.922 31 HA ASP 6 HA ASP 6 12.432 2.951 22.760 32 HB2 ASP 6 1HB ASP 6 12.760 4.533 24.856 33 HB3 ASP 6 2HB ASP 6 11.166 3.928 24.414 34 HA PRO 7 HA PRO 7 16.796 3.378 22.698 35 HB2 PRO 7 1HB PRO 7 17.117 6.056 22.390 36 HB3 PRO 7 2HB PRO 7 16.518 5.005 21.100 37 HG2 PRO 7 1HG PRO 7 14.985 6.767 22.973 38 HG3 PRO 7 2HG PRO 7 14.765 6.527 21.230 39 HD2 PRO 7 1HD PRO 7 13.202 5.311 23.077 40 HD3 PRO 7 2HD PRO 7 13.603 4.558 21.520 41 H ASN 8 H ASN 8 18.422 3.488 24.137 42 HA ASN 8 HA ASN 8 18.225 5.343 26.393 43 HB2 ASN 8 1HB ASN 8 17.367 2.910 26.882 44 HB3 ASN 8 2HB ASN 8 19.085 2.525 26.937 45 HD21 ASN 8 2HD2 ASN 8 19.418 2.193 29.041 46 HD22 ASN 8 1HD2 ASN 8 19.099 3.344 30.289 47 H SER 9 H SER 9 20.043 6.466 26.489 48 HA SER 9 HA SER 9 22.576 5.121 25.833 49 HB2 SER 9 1HB SER 9 23.230 7.535 24.995 50 HB3 SER 9 2HB SER 9 22.369 6.423 23.930 51 HG SER 9 HG SER 9 21.583 8.743 24.316 52 H LEU 10 H LEU 10 23.689 5.019 27.666 53 HA LEU 10 HA LEU 10 24.143 7.459 29.184 54 HB2 LEU 10 1HB LEU 10 22.162 5.988 30.092 55 HB3 LEU 10 2HB LEU 10 23.475 5.014 30.752 56 HG LEU 10 HG LEU 10 22.635 6.539 32.430 57 HD11 LEU 10 1HD1 LEU 10 25.330 7.435 31.419 58 HD12 LEU 10 2HD1 LEU 10 25.032 6.009 32.413 59 HD13 LEU 10 3HD1 LEU 10 24.712 7.618 33.061 60 HD21 LEU 10 3HD2 LEU 10 22.190 8.273 30.367 61 HD22 LEU 10 1HD2 LEU 10 23.595 8.989 31.155 62 HD23 LEU 10 2HD2 LEU 10 22.123 8.690 32.080 63 H ALA 11 H ALA 11 26.285 7.604 29.143 64 HA ALA 11 HA ALA 11 27.890 5.475 30.252 65 HB1 ALA 11 1HB ALA 11 27.538 5.213 27.628 66 HB2 ALA 11 2HB ALA 11 28.874 6.364 27.602 67 HB3 ALA 11 3HB ALA 11 29.062 4.814 28.422 68 H LEU 12 H LEU 12 30.273 6.148 30.250 69 HA LEU 12 HA LEU 12 30.414 9.048 30.744 70 HB2 LEU 12 1HB LEU 12 32.065 6.847 31.976 71 HB3 LEU 12 2HB LEU 12 32.179 8.564 32.353 72 HG LEU 12 HG LEU 12 29.717 6.899 32.857 73 HD11 LEU 12 1HD1 LEU 12 31.895 7.682 34.789 74 HD12 LEU 12 2HD1 LEU 12 31.606 6.056 34.170 75 HD13 LEU 12 3HD1 LEU 12 30.397 6.840 35.188 76 HD21 LEU 12 3HD2 LEU 12 30.389 9.427 34.274 77 HD22 LEU 12 1HD2 LEU 12 28.816 8.733 33.879 78 HD23 LEU 12 2HD2 LEU 12 29.770 9.525 32.625 79 H ALA 13 H ALA 13 32.452 10.105 30.304 80 HA ALA 13 HA ALA 13 34.056 8.740 28.243 81 HB1 ALA 13 1HB ALA 13 33.380 10.239 26.754 82 HB2 ALA 13 2HB ALA 13 32.470 11.115 27.985 83 HB3 ALA 13 3HB ALA 13 34.171 11.492 27.711 84 H ASN 14 H ASN 14 36.231 8.932 28.396 85 HA ASN 14 HA ASN 14 37.322 10.809 30.377 86 HB2 ASN 14 1HB ASN 14 38.387 8.005 30.083 87 HB3 ASN 14 2HB ASN 14 38.697 9.162 31.374 88 HD21 ASN 14 2HD2 ASN 14 36.937 9.677 32.811 89 HD22 ASN 14 1HD2 ASN 14 35.722 8.490 33.128 90 H VAL 15 H VAL 15 39.576 11.332 30.069 91 HA VAL 15 HA VAL 15 40.403 11.040 27.257 92 HB VAL 15 HB VAL 15 41.821 13.094 27.743 93 HG11 VAL 15 1HG1 VAL 15 38.978 13.871 28.063 94 HG12 VAL 15 2HG1 VAL 15 40.185 14.433 26.904 95 HG13 VAL 15 3HG1 VAL 15 39.397 12.871 26.672 96 HG21 VAL 15 3HG2 VAL 15 39.916 13.648 29.977 97 HG22 VAL 15 1HG2 VAL 15 41.395 12.740 30.288 98 HG23 VAL 15 2HG2 VAL 15 41.485 14.376 29.635 99 HA PRO 16 HA PRO 16 44.063 8.917 28.428 100 HB2 PRO 16 1HB PRO 16 45.819 9.825 26.567 101 HB3 PRO 16 2HB PRO 16 44.511 8.698 26.185 102 HG2 PRO 16 1HG PRO 16 44.634 11.662 25.786 103 HG3 PRO 16 2HG PRO 16 44.019 10.411 24.691 104 HD2 PRO 16 1HD PRO 16 42.387 11.936 26.221 105 HD3 PRO 16 2HD PRO 16 42.002 10.256 25.796 106 H LEU 17 H LEU 17 44.460 9.882 30.466 107 HA LEU 17 HA LEU 17 45.977 12.340 30.615 108 HB2 LEU 17 1HB LEU 17 44.193 11.571 32.261 109 HB3 LEU 17 2HB LEU 17 45.400 10.444 32.875 110 HG LEU 17 HG LEU 17 46.848 12.585 33.193 111 HD11 LEU 17 1HD1 LEU 17 44.170 13.883 33.493 112 HD12 LEU 17 2HD1 LEU 17 45.024 13.929 31.951 113 HD13 LEU 17 3HD1 LEU 17 45.768 14.623 33.392 114 HD21 LEU 17 3HD2 LEU 17 45.253 11.059 34.841 115 HD22 LEU 17 1HD2 LEU 17 44.735 12.709 35.189 116 HD23 LEU 17 2HD2 LEU 17 46.433 12.264 35.362 117 H SER 18 H SER 18 47.605 11.045 29.166 118 HA SER 18 HA SER 18 49.543 9.680 30.913 119 HB2 SER 18 1HB SER 18 48.814 9.351 28.038 120 HB3 SER 18 2HB SER 18 50.483 9.036 28.512 121 HG SER 18 HG SER 18 49.443 7.127 28.768 122 H ARG 19 H ARG 19 51.873 9.930 29.952 123 HA ARG 19 HA ARG 19 52.353 12.645 28.987 124 HB2 ARG 19 1HB ARG 19 53.363 11.527 31.595 125 HB3 ARG 19 2HB ARG 19 54.191 12.839 30.767 126 HG2 ARG 19 1HG ARG 19 51.275 13.032 31.404 127 HG3 ARG 19 2HG ARG 19 52.500 13.406 32.618 128 HD2 ARG 19 1HD ARG 19 53.444 15.114 31.205 129 HD3 ARG 19 2HD ARG 19 52.359 14.675 29.887 130 HE ARG 19 HE ARG 19 50.753 15.971 30.855 131 HH11 ARG 19 1HH1 ARG 19 53.129 15.160 33.267 132 HH12 ARG 19 2HH1 ARG 19 52.423 16.165 34.489 133 HH21 ARG 19 1HH2 ARG 19 49.814 17.298 32.455 134 HH22 ARG 19 2HH2 ARG 19 50.536 17.380 34.026 135 H SER 20 H SER 20 54.339 12.927 27.946 136 HA SER 20 HA SER 20 56.138 10.643 27.743 137 HB2 SER 20 1HB SER 20 56.097 10.825 25.220 138 HB3 SER 20 2HB SER 20 54.637 10.149 25.943 139 HG SER 20 HG SER 20 53.652 12.179 25.710 140 H LYS 21 H LYS 21 58.094 11.434 28.088 141 HA LYS 21 HA LYS 21 58.881 13.923 26.757 142 HB2 LYS 21 1HB LYS 21 58.207 14.137 29.290 143 HB3 LYS 21 2HB LYS 21 59.798 13.441 29.564 144 HG2 LYS 21 1HG LYS 21 60.728 15.290 28.128 145 HG3 LYS 21 2HG LYS 21 59.127 16.030 28.197 146 HD2 LYS 21 1HD LYS 21 60.635 15.251 30.678 147 HD3 LYS 21 2HD LYS 21 60.856 16.820 29.901 148 HE2 LYS 21 1HE LYS 21 59.217 17.331 31.420 149 HE3 LYS 21 2HE LYS 21 58.235 16.892 30.023 150 HZ1 LYS 21 3HZ LYS 21 58.906 14.659 31.708 151 HZ2 LYS 21 1HZ LYS 21 57.407 15.126 31.076 152 HZ3 LYS 21 2HZ LYS 21 57.984 15.838 32.497 153 H ARG 22 H ARG 22 60.436 13.258 25.421 154 HA ARG 22 HA ARG 22 62.806 12.023 26.520 155 HB2 ARG 22 1HB ARG 22 62.790 10.226 24.735 156 HB3 ARG 22 2HB ARG 22 61.650 10.007 26.056 157 HG2 ARG 22 1HG ARG 22 60.705 11.404 23.612 158 HG3 ARG 22 2HG ARG 22 60.951 9.657 23.540 159 HD2 ARG 22 1HD ARG 22 59.586 9.709 25.790 160 HD3 ARG 22 2HD ARG 22 59.005 11.244 25.144 161 HE ARG 22 HE ARG 22 58.365 8.601 24.192 162 HH11 ARG 22 1HH1 ARG 22 58.511 11.990 23.407 163 HH12 ARG 22 2HH1 ARG 22 57.335 11.881 22.139 164 HH21 ARG 22 1HH2 ARG 22 56.815 8.445 22.526 165 HH22 ARG 22 2HH2 ARG 22 56.370 9.864 21.640 166 HA PRO 23 HA PRO 23 63.423 15.094 23.068 167 HB2 PRO 23 1HB PRO 23 65.163 16.661 24.442 168 HB3 PRO 23 2HB PRO 23 63.410 16.878 24.515 169 HG2 PRO 23 1HG PRO 23 65.230 15.493 26.447 170 HG3 PRO 23 2HG PRO 23 63.879 16.593 26.775 171 HD2 PRO 23 1HD PRO 23 63.651 13.902 26.983 172 HD3 PRO 23 2HD PRO 23 62.299 14.939 26.486 173 H ASP 24 H ASP 24 65.652 15.881 22.256 174 HA ASP 24 HA ASP 24 67.790 13.973 22.833 175 HB2 ASP 24 1HB ASP 24 66.318 14.220 20.258 176 HB3 ASP 24 2HB ASP 24 68.063 13.992 20.176 177 H PHE 25 H PHE 25 69.837 14.770 22.530 178 HA PHE 25 HA PHE 25 70.346 17.185 21.076 179 HB2 PHE 25 1HB PHE 25 71.209 18.424 23.111 180 HB3 PHE 25 2HB PHE 25 69.458 18.296 22.985 181 HD1 PHE 25 HD1 PHE 25 72.354 16.496 24.494 182 HD2 PHE 25 HD2 PHE 25 68.272 17.651 24.843 183 HE1 PHE 25 HE1 PHE 25 72.270 15.506 26.745 184 HE2 PHE 25 HE2 PHE 25 68.182 16.664 27.095 185 HZ PHE 25 HZ PHE 25 70.183 15.591 28.049 186 H GLY 26 H GLY 26 72.576 17.639 20.856 187 HA2 GLY 26 1HA GLY 26 74.858 17.127 21.735 188 HA3 GLY 26 2HA GLY 26 74.321 15.455 21.817 189 H GLN 27 H GLN 27 75.882 17.769 19.948 190 HA GLN 27 HA GLN 27 75.566 16.149 17.510 191 HB2 GLN 27 1HB GLN 27 76.100 19.067 17.941 192 HB3 GLN 27 2HB GLN 27 76.611 18.291 16.448 193 HG2 GLN 27 1HG GLN 27 73.802 17.953 17.374 194 HG3 GLN 27 2HG GLN 27 74.290 19.469 16.617 195 HE21 GLN 27 2HE2 GLN 27 73.457 16.199 16.139 196 HE22 GLN 27 1HE2 GLN 27 73.644 16.160 14.422 197 H ARG 28 H ARG 28 77.511 16.010 16.118 198 HA ARG 28 HA ARG 28 79.907 15.660 17.785 199 HB2 ARG 28 1HB ARG 28 79.106 14.357 15.178 200 HB3 ARG 28 2HB ARG 28 80.660 14.118 15.965 201 HG2 ARG 28 1HG ARG 28 79.255 13.379 18.001 202 HG3 ARG 28 2HG ARG 28 77.950 13.202 16.827 203 HD2 ARG 28 1HD ARG 28 80.645 11.952 16.398 204 HD3 ARG 28 2HD ARG 28 79.389 11.146 17.337 205 HE ARG 28 HE ARG 28 78.477 12.011 14.764 206 HH11 ARG 28 1HH1 ARG 28 80.154 9.488 16.478 207 HH12 ARG 28 2HH1 ARG 28 79.776 8.264 15.310 208 HH21 ARG 28 1HH2 ARG 28 77.973 10.410 13.220 209 HH22 ARG 28 2HH2 ARG 28 78.536 8.790 13.457 210 H ARG 29 H ARG 29 81.915 16.401 17.084 211 HA ARG 29 HA ARG 29 83.364 17.886 16.152 212 HB2 ARG 29 1HB ARG 29 81.644 17.264 13.751 213 HB3 ARG 29 2HB ARG 29 83.084 18.269 13.662 214 HG2 ARG 29 1HG ARG 29 84.508 16.498 14.079 215 HG3 ARG 29 2HG ARG 29 83.243 15.528 14.836 216 HD2 ARG 29 1HD ARG 29 82.182 15.176 12.691 217 HD3 ARG 29 2HD ARG 29 83.349 16.241 11.908 218 HE ARG 29 HE ARG 29 84.821 14.498 11.840 219 HH11 ARG 29 1HH1 ARG 29 82.358 13.794 14.198 220 HH12 ARG 29 2HH1 ARG 29 82.911 12.178 14.485 221 HH21 ARG 29 1HH2 ARG 29 85.559 12.372 12.210 222 HH22 ARG 29 2HH2 ARG 29 84.733 11.370 13.355 223 H ILE 30 H ILE 30 81.555 19.125 17.686 224 HA ILE 30 HA ILE 30 79.899 21.053 16.597 225 HB ILE 30 HB ILE 30 81.581 21.349 19.088 226 HG12 ILE 30 1HG1 ILE 30 80.222 19.296 19.101 227 HG13 ILE 30 2HG1 ILE 30 79.633 20.463 20.279 228 HG21 ILE 30 1HG2 ILE 30 79.218 22.658 19.520 229 HG22 ILE 30 2HG2 ILE 30 80.740 23.421 19.061 230 HG23 ILE 30 3HG2 ILE 30 79.547 23.020 17.826 231 HD11 ILE 30 3HD1 ILE 30 77.621 20.218 19.404 232 HD12 ILE 30 1HD1 ILE 30 78.216 20.991 17.934 233 HD13 ILE 30 2HD1 ILE 30 78.259 19.234 18.087 234 H ARG 31 H ARG 31 80.415 22.460 15.055 235 HA ARG 31 HA ARG 31 82.962 23.923 15.298 236 HB2 ARG 31 1HB ARG 31 81.573 22.749 12.941 237 HB3 ARG 31 2HB ARG 31 82.432 24.265 12.709 238 HG2 ARG 31 1HG ARG 31 83.830 22.020 14.073 239 HG3 ARG 31 2HG ARG 31 83.618 21.965 12.322 240 HD2 ARG 31 1HD ARG 31 84.898 24.218 13.866 241 HD3 ARG 31 2HD ARG 31 85.764 22.974 12.966 242 HE ARG 31 HE ARG 31 84.483 25.299 11.897 243 HH11 ARG 31 1HH1 ARG 31 85.426 22.019 11.209 244 HH12 ARG 31 2HH1 ARG 31 85.507 22.263 9.496 245 HH21 ARG 31 1HH2 ARG 31 84.587 25.633 9.643 246 HH22 ARG 31 2HH2 ARG 31 85.031 24.320 8.606 247 H ARG 32 H ARG 32 82.951 26.133 15.006 248 HA ARG 32 HA ARG 32 80.495 27.469 15.581 249 HB2 ARG 32 1HB ARG 32 83.341 28.238 15.264 250 HB3 ARG 32 2HB ARG 32 82.153 29.502 14.975 251 HG2 ARG 32 1HG ARG 32 81.168 28.929 17.222 252 HG3 ARG 32 2HG ARG 32 82.591 27.920 17.490 253 HD2 ARG 32 1HD ARG 32 82.556 30.888 16.959 254 HD3 ARG 32 2HD ARG 32 82.922 30.097 18.492 255 HE ARG 32 HE ARG 32 84.711 30.521 16.321 256 HH11 ARG 32 1HH1 ARG 32 83.923 28.307 18.890 257 HH12 ARG 32 2HH1 ARG 32 85.532 27.677 19.017 258 HH21 ARG 32 1HH2 ARG 32 86.833 29.699 16.478 259 HH22 ARG 32 2HH2 ARG 32 87.187 28.470 17.645 260 HA PRO 33 HA PRO 33 79.033 28.590 11.600 261 HB2 PRO 33 1HB PRO 33 78.194 31.144 11.978 262 HB3 PRO 33 2HB PRO 33 77.345 29.745 12.648 263 HG2 PRO 33 1HG PRO 33 79.271 31.609 13.982 264 HG3 PRO 33 2HG PRO 33 77.745 30.948 14.597 265 HD2 PRO 33 1HD PRO 33 80.159 29.942 15.302 266 HD3 PRO 33 2HD PRO 33 78.705 28.932 15.171 267 H PHE 34 H PHE 34 79.212 30.255 9.836 268 HA PHE 34 HA PHE 34 81.996 30.971 9.512 269 HB2 PHE 34 1HB PHE 34 79.644 30.662 7.750 270 HB3 PHE 34 2HB PHE 34 80.805 31.889 7.255 271 HD1 PHE 34 HD1 PHE 34 81.742 28.830 9.059 272 HD2 PHE 34 HD2 PHE 34 81.533 30.774 5.279 273 HE1 PHE 34 HE1 PHE 34 83.170 27.079 8.084 274 HE2 PHE 34 HE2 PHE 34 82.960 29.027 4.297 275 HZ PHE 34 HZ PHE 34 83.780 27.176 5.700 276 H THR 35 H THR 35 82.600 33.114 8.639 277 HA THR 35 HA THR 35 81.789 35.179 10.365 278 HB THR 35 HB THR 35 83.041 35.850 7.737 279 HG1 THR 35 HG1 THR 35 84.557 34.417 8.056 280 HG21 THR 35 3HG2 THR 35 82.965 37.721 9.081 281 HG22 THR 35 1HG2 THR 35 84.552 37.077 9.501 282 HG23 THR 35 2HG2 THR 35 83.175 36.794 10.567 283 H VAL 36 H VAL 36 80.923 37.307 9.669 284 HA VAL 36 HA VAL 36 78.363 37.081 8.597 285 HB VAL 36 HB VAL 36 78.933 38.947 10.016 286 HG11 VAL 36 1HG1 VAL 36 80.654 40.012 7.784 287 HG12 VAL 36 2HG1 VAL 36 80.447 40.687 9.402 288 HG13 VAL 36 3HG1 VAL 36 81.287 39.151 9.187 289 HG21 VAL 36 3HG2 VAL 36 78.444 40.651 7.765 290 HG22 VAL 36 1HG2 VAL 36 77.530 39.152 7.588 291 HG23 VAL 36 2HG2 VAL 36 77.334 40.140 9.037 292 H ALA 37 H ALA 37 81.405 38.005 7.061 293 HA ALA 37 HA ALA 37 80.227 38.698 4.555 294 HB1 ALA 37 1HB ALA 37 83.075 37.863 4.730 295 HB2 ALA 37 2HB ALA 37 82.342 39.209 3.857 296 HB3 ALA 37 3HB ALA 37 82.568 39.308 5.603 297 H GLU 38 H GLU 38 82.026 35.855 5.716 298 HA GLU 38 HA GLU 38 81.948 34.384 3.341 299 HB2 GLU 38 1HB GLU 38 81.894 33.269 6.150 300 HB3 GLU 38 2HB GLU 38 82.444 32.439 4.700 301 HG2 GLU 38 1HG GLU 38 83.731 34.929 5.786 302 HG3 GLU 38 2HG GLU 38 84.257 33.295 6.185 303 H VAL 39 H VAL 39 79.711 34.380 6.102 304 HA VAL 39 HA VAL 39 77.961 32.416 5.090 305 HB VAL 39 HB VAL 39 77.537 34.630 7.090 306 HG11 VAL 39 1HG1 VAL 39 75.601 32.694 5.931 307 HG12 VAL 39 2HG1 VAL 39 75.494 33.056 7.655 308 HG13 VAL 39 3HG1 VAL 39 75.355 34.355 6.469 309 HG21 VAL 39 3HG2 VAL 39 77.438 32.652 8.650 310 HG22 VAL 39 1HG2 VAL 39 77.992 31.662 7.299 311 HG23 VAL 39 2HG2 VAL 39 79.011 32.963 7.915 312 H GLU 40 H GLU 40 77.852 35.965 4.943 313 HA GLU 40 HA GLU 40 75.414 36.289 3.676 314 HB2 GLU 40 1HB GLU 40 77.942 37.871 3.750 315 HB3 GLU 40 2HB GLU 40 76.709 38.330 2.584 316 HG2 GLU 40 1HG GLU 40 75.122 38.746 4.295 317 HG3 GLU 40 2HG GLU 40 76.158 38.015 5.520 318 H LEU 41 H LEU 41 78.595 35.673 2.243 319 HA LEU 41 HA LEU 41 77.760 35.841 -0.451 320 HB2 LEU 41 1HB LEU 41 80.081 34.398 0.816 321 HB3 LEU 41 2HB LEU 41 79.857 34.578 -0.923 322 HG LEU 41 HG LEU 41 80.013 36.991 0.846 323 HD11 LEU 41 1HD1 LEU 41 81.967 35.614 1.382 324 HD12 LEU 41 2HD1 LEU 41 82.415 37.072 0.498 325 HD13 LEU 41 3HD1 LEU 41 82.365 35.518 -0.333 326 HD21 LEU 41 3HD2 LEU 41 81.278 37.514 -1.514 327 HD22 LEU 41 1HD2 LEU 41 79.584 37.866 -1.171 328 HD23 LEU 41 2HD2 LEU 41 80.022 36.381 -2.017 329 H LEU 42 H LEU 42 78.202 33.072 1.730 330 HA LEU 42 HA LEU 42 77.562 31.044 -0.074 331 HB2 LEU 42 1HB LEU 42 78.535 30.557 2.071 332 HB3 LEU 42 2HB LEU 42 77.126 31.213 2.903 333 HG LEU 42 HG LEU 42 77.448 28.641 2.723 334 HD11 LEU 42 1HD1 LEU 42 74.721 29.405 1.872 335 HD12 LEU 42 2HD1 LEU 42 75.358 30.190 3.316 336 HD13 LEU 42 3HD1 LEU 42 75.254 28.431 3.242 337 HD21 LEU 42 3HD2 LEU 42 77.815 28.651 0.281 338 HD22 LEU 42 1HD2 LEU 42 76.160 29.219 0.057 339 HD23 LEU 42 2HD2 LEU 42 76.459 27.631 0.764 340 H VAL 43 H VAL 43 75.393 32.399 2.419 341 HA VAL 43 HA VAL 43 73.047 31.213 1.564 342 HB VAL 43 HB VAL 43 73.289 33.975 2.766 343 HG11 VAL 43 1HG1 VAL 43 71.064 33.048 1.733 344 HG12 VAL 43 2HG1 VAL 43 70.999 32.124 3.236 345 HG13 VAL 43 3HG1 VAL 43 71.054 33.887 3.284 346 HG21 VAL 43 3HG2 VAL 43 73.122 31.268 4.088 347 HG22 VAL 43 1HG2 VAL 43 74.486 32.386 4.132 348 HG23 VAL 43 2HG2 VAL 43 72.971 32.811 4.929 349 H GLU 44 H GLU 44 74.580 34.180 0.431 350 HA GLU 44 HA GLU 44 72.444 35.054 -1.206 351 HB2 GLU 44 1HB GLU 44 74.264 36.540 -0.485 352 HB3 GLU 44 2HB GLU 44 75.404 35.616 -1.453 353 HG2 GLU 44 1HG GLU 44 74.666 36.492 -3.420 354 HG3 GLU 44 2HG GLU 44 73.032 36.760 -2.816 355 H ALA 45 H ALA 45 75.054 32.789 -1.680 356 HA ALA 45 HA ALA 45 74.792 32.625 -4.525 357 HB1 ALA 45 1HB ALA 45 76.009 30.495 -2.799 358 HB2 ALA 45 2HB ALA 45 76.428 30.959 -4.448 359 HB3 ALA 45 3HB ALA 45 76.834 32.024 -3.102 360 H VAL 46 H VAL 46 73.826 30.496 -1.836 361 HA VAL 46 HA VAL 46 72.449 28.645 -3.501 362 HB VAL 46 HB VAL 46 73.079 27.697 -1.487 363 HG11 VAL 46 1HG1 VAL 46 72.464 30.356 -0.395 364 HG12 VAL 46 2HG1 VAL 46 72.136 29.003 0.689 365 HG13 VAL 46 3HG1 VAL 46 73.753 29.227 0.020 366 HG21 VAL 46 3HG2 VAL 46 71.128 26.897 -0.530 367 HG22 VAL 46 1HG2 VAL 46 70.309 28.454 -0.651 368 HG23 VAL 46 2HG2 VAL 46 70.565 27.477 -2.097 369 H GLU 47 H GLU 47 71.548 31.593 -1.867 370 HA GLU 47 HA GLU 47 68.729 31.214 -2.033 371 HB2 GLU 47 1HB GLU 47 69.636 32.752 -0.406 372 HB3 GLU 47 2HB GLU 47 70.398 33.706 -1.671 373 HG2 GLU 47 1HG GLU 47 67.449 33.340 -1.744 374 HG3 GLU 47 2HG GLU 47 68.140 34.453 -0.565 375 H HIS 48 H HIS 48 71.047 33.111 -3.953 376 HA HIS 48 HA HIS 48 69.262 34.195 -5.787 377 HB2 HIS 48 1HB HIS 48 71.800 34.622 -5.462 378 HB3 HIS 48 2HB HIS 48 72.012 33.302 -6.608 379 HD1 HIS 48 HD1 HIS 48 69.161 34.611 -7.962 380 HD2 HIS 48 HD2 HIS 48 73.013 36.138 -7.654 381 HE1 HIS 48 HE1 HIS 48 69.339 36.356 -9.764 382 H LEU 49 H LEU 49 70.477 30.967 -5.502 383 HA LEU 49 HA LEU 49 69.321 30.257 -8.110 384 HB2 LEU 49 1HB LEU 49 71.173 28.653 -6.355 385 HB3 LEU 49 2HB LEU 49 70.617 28.207 -7.967 386 HG LEU 49 HG LEU 49 72.381 30.572 -7.333 387 HD11 LEU 49 1HD1 LEU 49 73.163 28.002 -7.196 388 HD12 LEU 49 2HD1 LEU 49 74.208 29.318 -7.731 389 HD13 LEU 49 3HD1 LEU 49 73.389 28.304 -8.919 390 HD21 LEU 49 3HD2 LEU 49 72.564 29.836 -10.024 391 HD22 LEU 49 1HD2 LEU 49 71.806 31.282 -9.357 392 HD23 LEU 49 2HD2 LEU 49 70.840 29.835 -9.648 393 H GLY 50 H GLY 50 68.616 30.251 -4.853 394 HA2 GLY 50 1HA GLY 50 66.899 29.317 -3.647 395 HA3 GLY 50 2HA GLY 50 66.216 28.798 -5.181 396 H THR 51 H THR 51 65.874 26.691 -5.247 397 HA THR 51 HA THR 51 67.720 24.920 -3.786 398 HB THR 51 HB THR 51 64.871 24.302 -4.582 399 HG1 THR 51 HG1 THR 51 64.263 25.080 -2.683 400 HG21 THR 51 3HG2 THR 51 66.805 22.905 -2.731 401 HG22 THR 51 1HG2 THR 51 66.263 22.324 -4.304 402 HG23 THR 51 2HG2 THR 51 65.117 22.454 -2.970 403 H GLY 52 H GLY 52 69.059 25.149 -5.793 404 HA2 GLY 52 1HA GLY 52 68.076 23.373 -7.938 405 HA3 GLY 52 2HA GLY 52 69.262 24.649 -8.170 406 H ARG 53 H ARG 53 70.992 23.526 -8.883 407 HA ARG 53 HA ARG 53 71.805 21.083 -7.535 408 HB2 ARG 53 1HB ARG 53 72.805 22.541 -9.974 409 HB3 ARG 53 2HB ARG 53 73.669 21.173 -9.285 410 HG2 ARG 53 1HG ARG 53 71.886 19.693 -9.745 411 HG3 ARG 53 2HG ARG 53 70.788 21.023 -10.119 412 HD2 ARG 53 1HD ARG 53 72.080 21.574 -12.092 413 HD3 ARG 53 2HD ARG 53 73.263 20.329 -11.695 414 HE ARG 53 HE ARG 53 70.702 19.953 -12.942 415 HH11 ARG 53 1HH1 ARG 53 73.213 18.456 -11.051 416 HH12 ARG 53 2HH1 ARG 53 72.805 16.846 -11.546 417 HH21 ARG 53 1HH2 ARG 53 70.156 17.838 -13.601 418 HH22 ARG 53 2HH2 ARG 53 71.067 16.496 -12.997 419 H TRP 54 H TRP 54 73.424 20.912 -6.104 420 HA TRP 54 HA TRP 54 74.429 23.088 -4.723 421 HB2 TRP 54 1HB TRP 54 76.250 21.427 -3.978 422 HB3 TRP 54 2HB TRP 54 74.573 21.013 -3.633 423 HD1 TRP 54 HD1 TRP 54 77.146 20.260 -6.453 424 HE1 TRP 54 HE1 TRP 54 76.806 17.819 -7.193 425 HE3 TRP 54 HE3 TRP 54 73.198 19.042 -3.442 426 HZ2 TRP 54 HZ2 TRP 54 75.090 15.662 -6.582 427 HZ3 TRP 54 HZ3 TRP 54 72.266 16.769 -3.581 428 HH2 TRP 54 HH2 TRP 54 73.194 15.116 -5.120 429 H ARG 55 H ARG 55 75.558 21.628 -7.666 430 HA ARG 55 HA ARG 55 78.181 22.722 -7.641 431 HB2 ARG 55 1HB ARG 55 77.667 20.820 -9.048 432 HB3 ARG 55 2HB ARG 55 76.451 21.746 -9.918 433 HG2 ARG 55 1HG ARG 55 78.053 23.037 -11.022 434 HG3 ARG 55 2HG ARG 55 79.325 22.590 -9.883 435 HD2 ARG 55 1HD ARG 55 79.211 20.270 -10.717 436 HD3 ARG 55 2HD ARG 55 78.001 20.775 -11.895 437 HE ARG 55 HE ARG 55 80.400 22.314 -12.073 438 HH11 ARG 55 1HH1 ARG 55 78.914 19.300 -12.982 439 HH12 ARG 55 2HH1 ARG 55 79.916 19.077 -14.378 440 HH21 ARG 55 1HH2 ARG 55 81.725 22.031 -13.908 441 HH22 ARG 55 2HH2 ARG 55 81.515 20.630 -14.903 442 H ASP 56 H ASP 56 75.061 23.881 -8.728 443 HA ASP 56 HA ASP 56 76.002 26.074 -10.255 444 HB2 ASP 56 1HB ASP 56 73.587 24.931 -9.972 445 HB3 ASP 56 2HB ASP 56 73.378 26.299 -8.883 446 H VAL 57 H VAL 57 74.908 25.783 -6.891 447 HA VAL 57 HA VAL 57 75.264 28.531 -6.262 448 HB VAL 57 HB VAL 57 73.785 27.239 -4.892 449 HG11 VAL 57 1HG1 VAL 57 74.707 25.438 -3.397 450 HG12 VAL 57 2HG1 VAL 57 74.655 25.039 -5.115 451 HG13 VAL 57 3HG1 VAL 57 76.182 25.497 -4.361 452 HG21 VAL 57 3HG2 VAL 57 76.241 27.861 -3.257 453 HG22 VAL 57 1HG2 VAL 57 75.074 29.061 -3.812 454 HG23 VAL 57 2HG2 VAL 57 74.574 27.799 -2.685 455 H LYS 58 H LYS 58 77.358 25.739 -6.232 456 HA LYS 58 HA LYS 58 79.404 26.812 -4.593 457 HB2 LYS 58 1HB LYS 58 79.252 24.423 -5.010 458 HB3 LYS 58 2HB LYS 58 79.507 24.677 -6.731 459 HG2 LYS 58 1HG LYS 58 81.563 23.929 -5.883 460 HG3 LYS 58 2HG LYS 58 81.752 25.668 -6.119 461 HD2 LYS 58 1HD LYS 58 80.779 24.815 -3.465 462 HD3 LYS 58 2HD LYS 58 82.445 24.383 -3.855 463 HE2 LYS 58 1HE LYS 58 83.000 26.679 -4.281 464 HE3 LYS 58 2HE LYS 58 81.314 27.165 -4.118 465 HZ1 LYS 58 3HZ LYS 58 81.618 27.416 -1.954 466 HZ2 LYS 58 1HZ LYS 58 83.250 27.001 -2.121 467 HZ3 LYS 58 2HZ LYS 58 82.102 25.804 -1.790 468 H PHE 59 H PHE 59 78.935 26.729 -8.108 469 HA PHE 59 HA PHE 59 81.355 28.220 -8.596 470 HB2 PHE 59 1HB PHE 59 80.748 26.625 -10.268 471 HB3 PHE 59 2HB PHE 59 79.119 27.280 -10.393 472 HD1 PHE 59 HD2 PHE 59 82.625 27.736 -11.314 473 HD2 PHE 59 HD1 PHE 59 78.681 29.303 -11.635 474 HE1 PHE 59 HE2 PHE 59 83.360 29.198 -13.150 475 HE2 PHE 59 HE1 PHE 59 79.409 30.768 -13.473 476 HZ PHE 59 HZ PHE 59 81.752 30.717 -14.232 477 H ARG 60 H ARG 60 78.072 28.929 -7.932 478 HA ARG 60 HA ARG 60 78.215 31.603 -9.083 479 HB2 ARG 60 1HB ARG 60 76.130 30.370 -9.348 480 HB3 ARG 60 2HB ARG 60 75.992 30.185 -7.604 481 HG2 ARG 60 1HG ARG 60 74.516 31.932 -8.473 482 HG3 ARG 60 2HG ARG 60 75.708 32.573 -7.341 483 HD2 ARG 60 1HD ARG 60 76.778 32.647 -9.992 484 HD3 ARG 60 2HD ARG 60 75.188 33.409 -9.983 485 HE ARG 60 HE ARG 60 76.876 34.287 -7.838 486 HH11 ARG 60 1HH1 ARG 60 76.046 34.758 -11.186 487 HH12 ARG 60 2HH1 ARG 60 76.588 36.403 -11.224 488 HH21 ARG 60 1HH2 ARG 60 77.593 36.452 -7.875 489 HH22 ARG 60 2HH2 ARG 60 77.469 37.366 -9.340 490 H ALA 61 H ALA 61 78.955 30.064 -6.180 491 HA ALA 61 HA ALA 61 78.321 32.243 -4.410 492 HB1 ALA 61 1HB ALA 61 79.948 29.737 -4.019 493 HB2 ALA 61 2HB ALA 61 79.615 30.912 -2.745 494 HB3 ALA 61 3HB ALA 61 78.288 30.030 -3.501 495 H PHE 62 H PHE 62 81.495 30.704 -4.715 496 HA PHE 62 HA PHE 62 82.708 33.292 -5.336 497 HB2 PHE 62 1HB PHE 62 84.464 32.207 -3.476 498 HB3 PHE 62 2HB PHE 62 83.382 33.571 -3.215 499 HD1 PHE 62 HD1 PHE 62 83.877 29.979 -2.679 500 HD2 PHE 62 HD2 PHE 62 81.389 33.344 -1.904 501 HE1 PHE 62 HE1 PHE 62 82.701 28.703 -0.934 502 HE2 PHE 62 HE2 PHE 62 80.210 32.074 -0.157 503 HZ PHE 62 HZ PHE 62 80.866 29.751 0.330 504 H GLU 63 H GLU 63 82.977 29.806 -5.078 505 HA GLU 63 HA GLU 63 84.475 28.310 -5.968 506 HB2 GLU 63 1HB GLU 63 84.600 28.419 -8.377 507 HB3 GLU 63 2HB GLU 63 82.991 28.907 -7.863 508 HG2 GLU 63 1HG GLU 63 83.364 31.140 -8.385 509 HG3 GLU 63 2HG GLU 63 85.116 30.945 -8.388 510 H ASN 64 H ASN 64 85.784 30.341 -4.495 511 HA ASN 64 HA ASN 64 88.380 30.292 -5.838 512 HB2 ASN 64 1HB ASN 64 87.294 32.522 -6.260 513 HB3 ASN 64 2HB ASN 64 87.316 32.796 -4.521 514 HD21 ASN 64 2HD2 ASN 64 89.310 32.299 -7.358 515 HD22 ASN 64 1HD2 ASN 64 90.734 33.041 -6.719 516 H VAL 65 H VAL 65 86.554 30.947 -2.881 517 HA VAL 65 HA VAL 65 88.579 31.101 -1.025 518 HB VAL 65 HB VAL 65 87.015 30.347 0.648 519 HG11 VAL 65 1HG1 VAL 65 84.918 31.630 -0.750 520 HG12 VAL 65 2HG1 VAL 65 86.028 32.324 0.432 521 HG13 VAL 65 3HG1 VAL 65 86.432 32.358 -1.285 522 HG21 VAL 65 3HG2 VAL 65 85.453 29.257 -1.685 523 HG22 VAL 65 1HG2 VAL 65 86.129 28.367 -0.320 524 HG23 VAL 65 2HG2 VAL 65 84.771 29.464 -0.072 525 H HIS 66 H HIS 66 89.518 29.560 0.416 526 HA HIS 66 HA HIS 66 90.703 27.372 -0.775 527 HB2 HIS 66 1HB HIS 66 90.163 27.946 2.139 528 HB3 HIS 66 2HB HIS 66 91.143 26.587 1.598 529 HD1 HIS 66 HD1 HIS 66 91.531 29.887 2.783 530 HD2 HIS 66 HD2 HIS 66 93.332 27.678 -0.241 531 HE1 HIS 66 HE1 HIS 66 93.709 31.050 2.306 532 H HIS 67 H HIS 67 88.449 26.902 1.928 533 HA HIS 67 HA HIS 67 87.756 24.283 1.032 534 HB2 HIS 67 1HB HIS 67 86.953 26.051 3.297 535 HB3 HIS 67 2HB HIS 67 85.905 24.695 2.892 536 HD1 HIS 67 HD1 HIS 67 88.879 25.542 4.780 537 HD2 HIS 67 HD2 HIS 67 87.343 22.126 2.983 538 HE1 HIS 67 HE1 HIS 67 90.125 23.620 5.816 539 H ARG 68 H ARG 68 86.734 24.248 -0.911 540 HA ARG 68 HA ARG 68 84.141 25.639 -1.053 541 HB2 ARG 68 1HB ARG 68 84.563 25.652 -3.583 542 HB3 ARG 68 2HB ARG 68 85.455 26.810 -2.604 543 HG2 ARG 68 1HG ARG 68 87.454 25.812 -2.992 544 HG3 ARG 68 2HG ARG 68 86.749 24.199 -3.121 545 HD2 ARG 68 1HD ARG 68 85.745 24.944 -5.312 546 HD3 ARG 68 2HD ARG 68 86.747 26.389 -5.186 547 HE ARG 68 HE ARG 68 88.586 25.132 -5.745 548 HH11 ARG 68 1HH1 ARG 68 85.923 23.025 -4.975 549 HH12 ARG 68 2HH1 ARG 68 86.725 21.594 -5.532 550 HH21 ARG 68 1HH2 ARG 68 89.651 23.255 -6.481 551 HH22 ARG 68 2HH2 ARG 68 88.846 21.725 -6.388 552 H THR 69 H THR 69 82.786 23.986 -0.597 553 HA THR 69 HA THR 69 82.902 21.645 -2.382 554 HB THR 69 HB THR 69 81.585 20.895 0.023 555 HG1 THR 69 HG1 THR 69 84.239 21.746 0.550 556 HG21 THR 69 3HG2 THR 69 82.584 19.204 -1.219 557 HG22 THR 69 1HG2 THR 69 83.695 19.384 0.138 558 HG23 THR 69 2HG2 THR 69 84.086 20.104 -1.424 559 H TYR 70 H TYR 70 81.075 21.217 -3.452 560 HA TYR 70 HA TYR 70 78.937 22.935 -3.604 561 HB2 TYR 70 1HB TYR 70 78.445 20.020 -4.051 562 HB3 TYR 70 2HB TYR 70 77.941 21.400 -5.020 563 HD1 TYR 70 HD2 TYR 70 79.699 22.606 -6.399 564 HD2 TYR 70 HD1 TYR 70 80.395 18.821 -4.585 565 HE1 TYR 70 HE2 TYR 70 81.587 22.226 -7.929 566 HE2 TYR 70 HE1 TYR 70 82.286 18.431 -6.109 567 HH TYR 70 HH TYR 70 83.160 20.812 -8.597 568 H VAL 71 H VAL 71 78.849 19.758 -1.978 569 HA VAL 71 HA VAL 71 76.361 20.087 -0.760 570 HB VAL 71 HB VAL 71 77.439 17.910 -0.897 571 HG11 VAL 71 1HG1 VAL 71 79.751 18.790 -0.468 572 HG12 VAL 71 2HG1 VAL 71 79.340 18.835 1.247 573 HG13 VAL 71 3HG1 VAL 71 79.349 17.298 0.381 574 HG21 VAL 71 3HG2 VAL 71 77.379 17.891 1.963 575 HG22 VAL 71 1HG2 VAL 71 76.113 18.959 1.356 576 HG23 VAL 71 2HG2 VAL 71 76.181 17.279 0.822 577 H ASP 72 H ASP 72 79.565 21.092 0.262 578 HA ASP 72 HA ASP 72 79.016 21.704 2.935 579 HB2 ASP 72 1HB ASP 72 81.287 21.638 1.865 580 HB3 ASP 72 2HB ASP 72 80.925 23.195 1.126 581 H LEU 73 H LEU 73 78.473 23.535 -0.015 582 HA LEU 73 HA LEU 73 77.756 25.964 1.305 583 HB2 LEU 73 1HB LEU 73 77.178 25.015 -1.497 584 HB3 LEU 73 2HB LEU 73 76.931 26.657 -0.907 585 HG LEU 73 HG LEU 73 79.393 25.308 -1.789 586 HD11 LEU 73 1HD1 LEU 73 78.097 27.316 -2.790 587 HD12 LEU 73 2HD1 LEU 73 79.859 27.361 -2.740 588 HD13 LEU 73 3HD1 LEU 73 78.920 28.249 -1.540 589 HD21 LEU 73 3HD2 LEU 73 80.750 26.866 -0.312 590 HD22 LEU 73 1HD2 LEU 73 80.066 25.436 0.462 591 HD23 LEU 73 2HD2 LEU 73 79.303 27.011 0.687 592 H LYS 74 H LYS 74 75.824 23.553 -0.480 593 HA LYS 74 HA LYS 74 73.314 24.588 0.131 594 HB2 LYS 74 1HB LYS 74 73.622 22.886 -1.575 595 HB3 LYS 74 2HB LYS 74 74.137 21.721 -0.362 596 HG2 LYS 74 1HG LYS 74 71.885 21.229 -0.964 597 HG3 LYS 74 2HG LYS 74 71.881 21.894 0.671 598 HD2 LYS 74 1HD LYS 74 71.479 24.162 -0.564 599 HD3 LYS 74 2HD LYS 74 70.933 23.123 -1.883 600 HE2 LYS 74 1HE LYS 74 69.860 23.158 0.936 601 HE3 LYS 74 2HE LYS 74 69.056 23.798 -0.496 602 HZ1 LYS 74 3HZ LYS 74 68.900 21.596 -1.398 603 HZ2 LYS 74 1HZ LYS 74 68.248 21.586 0.164 604 HZ3 LYS 74 2HZ LYS 74 69.789 20.947 -0.113 605 H ASP 75 H ASP 75 75.327 22.298 1.916 606 HA ASP 75 HA ASP 75 73.387 21.745 3.926 607 HB2 ASP 75 1HB ASP 75 75.500 20.390 3.267 608 HB3 ASP 75 2HB ASP 75 76.351 21.486 4.351 609 H LYS 76 H LYS 76 76.021 24.062 3.612 610 HA LYS 76 HA LYS 76 76.079 25.010 6.242 611 HB2 LYS 76 1HB LYS 76 76.966 25.991 3.601 612 HB3 LYS 76 2HB LYS 76 76.715 27.233 4.821 613 HG2 LYS 76 1HG LYS 76 78.363 24.804 5.408 614 HG3 LYS 76 2HG LYS 76 79.051 26.203 4.581 615 HD2 LYS 76 1HD LYS 76 78.891 27.546 6.431 616 HD3 LYS 76 2HD LYS 76 77.514 26.659 7.089 617 HE2 LYS 76 1HE LYS 76 79.011 24.790 7.648 618 HE3 LYS 76 2HE LYS 76 80.379 25.713 7.026 619 HZ1 LYS 76 3HZ LYS 76 78.758 27.042 9.036 620 HZ2 LYS 76 1HZ LYS 76 80.439 27.017 8.841 621 HZ3 LYS 76 2HZ LYS 76 79.653 25.713 9.579 622 H TRP 77 H TRP 77 74.148 26.063 3.461 623 HA TRP 77 HA TRP 77 72.857 28.193 4.825 624 HB2 TRP 77 1HB TRP 77 72.905 28.264 2.438 625 HB3 TRP 77 2HB TRP 77 72.171 26.668 2.311 626 HD1 TRP 77 HD1 TRP 77 71.104 30.051 3.920 627 HE1 TRP 77 HE1 TRP 77 68.626 30.443 3.344 628 HE3 TRP 77 HE3 TRP 77 70.211 25.792 1.238 629 HZ2 TRP 77 HZ2 TRP 77 66.566 29.121 1.939 630 HZ3 TRP 77 HZ3 TRP 77 67.960 25.431 0.312 631 HH2 TRP 77 HH2 TRP 77 66.176 27.062 0.657 632 H LYS 78 H LYS 78 71.821 24.888 4.009 633 HA LYS 78 HA LYS 78 69.277 24.985 5.137 634 HB2 LYS 78 1HB LYS 78 69.980 23.146 3.716 635 HB3 LYS 78 2HB LYS 78 71.184 22.651 4.898 636 HG2 LYS 78 1HG LYS 78 69.309 21.178 5.048 637 HG3 LYS 78 2HG LYS 78 69.350 22.183 6.498 638 HD2 LYS 78 1HD LYS 78 67.720 23.717 5.229 639 HD3 LYS 78 2HD LYS 78 67.488 22.340 4.149 640 HE2 LYS 78 1HE LYS 78 67.142 22.203 7.139 641 HE3 LYS 78 2HE LYS 78 65.821 22.524 6.016 642 HZ1 LYS 78 3HZ LYS 78 65.832 20.212 6.519 643 HZ2 LYS 78 1HZ LYS 78 67.481 20.070 6.168 644 HZ3 LYS 78 2HZ LYS 78 66.376 20.382 4.926 645 H THR 79 H THR 79 72.356 24.002 6.614 646 HA THR 79 HA THR 79 71.343 23.325 9.137 647 HB THR 79 HB THR 79 74.080 24.468 8.549 648 HG1 THR 79 HG1 THR 79 74.560 22.101 8.501 649 HG21 THR 79 3HG2 THR 79 72.808 23.258 10.912 650 HG22 THR 79 1HG2 THR 79 74.189 24.348 10.802 651 HG23 THR 79 2HG2 THR 79 74.403 22.621 10.510 652 H LEU 80 H LEU 80 72.828 26.375 8.041 653 HA LEU 80 HA LEU 80 72.530 27.798 10.419 654 HB2 LEU 80 1HB LEU 80 73.366 29.524 9.263 655 HB3 LEU 80 2HB LEU 80 73.608 28.323 7.995 656 HG LEU 80 HG LEU 80 71.217 29.073 7.239 657 HD11 LEU 80 1HD1 LEU 80 71.566 31.769 7.807 658 HD12 LEU 80 2HD1 LEU 80 71.834 30.949 9.345 659 HD13 LEU 80 3HD1 LEU 80 70.328 30.698 8.464 660 HD21 LEU 80 3HD2 LEU 80 73.186 31.184 6.645 661 HD22 LEU 80 1HD2 LEU 80 72.258 30.153 5.556 662 HD23 LEU 80 2HD2 LEU 80 73.713 29.529 6.334 663 H VAL 81 H VAL 81 70.237 27.088 7.885 664 HA VAL 81 HA VAL 81 68.283 29.016 8.592 665 HB VAL 81 HB VAL 81 68.106 26.423 7.070 666 HG11 VAL 81 1HG1 VAL 81 65.820 27.227 6.395 667 HG12 VAL 81 2HG1 VAL 81 65.958 26.656 8.060 668 HG13 VAL 81 3HG1 VAL 81 65.919 28.387 7.719 669 HG21 VAL 81 3HG2 VAL 81 69.087 28.863 6.336 670 HG22 VAL 81 1HG2 VAL 81 68.456 27.647 5.225 671 HG23 VAL 81 2HG2 VAL 81 67.416 28.959 5.780 672 H HIS 82 H HIS 82 68.701 25.593 9.435 673 HA HIS 82 HA HIS 82 66.364 25.330 10.972 674 HB2 HIS 82 1HB HIS 82 67.704 23.417 10.154 675 HB3 HIS 82 2HB HIS 82 68.981 23.844 11.289 676 HD1 HIS 82 HD1 HIS 82 68.725 21.535 12.455 677 HD2 HIS 82 HD2 HIS 82 65.330 23.924 12.610 678 HE1 HIS 82 HE1 HIS 82 67.233 20.472 14.178 679 H THR 83 H THR 83 69.643 26.320 11.833 680 HA THR 83 HA THR 83 69.138 26.481 14.635 681 HB THR 83 HB THR 83 71.317 27.874 13.070 682 HG1 THR 83 HG1 THR 83 71.374 25.325 14.347 683 HG21 THR 83 3HG2 THR 83 71.141 28.766 15.290 684 HG22 THR 83 1HG2 THR 83 72.535 27.687 15.248 685 HG23 THR 83 2HG2 THR 83 71.026 27.149 15.984 686 H ALA 84 H ALA 84 68.788 28.669 11.942 687 HA ALA 84 HA ALA 84 68.391 30.985 13.640 688 HB1 ALA 84 1HB ALA 84 67.900 30.801 10.676 689 HB2 ALA 84 2HB ALA 84 68.202 32.247 11.641 690 HB3 ALA 84 3HB ALA 84 69.495 31.076 11.378 691 H SER 85 H SER 85 66.526 28.398 12.676 692 HA SER 85 HA SER 85 64.029 29.946 12.735 693 HB2 SER 85 1HB SER 85 64.634 28.222 10.861 694 HB3 SER 85 2HB SER 85 64.150 27.024 12.061 695 HG SER 85 HG SER 85 62.163 27.486 11.608 696 H ILE 86 H ILE 86 65.766 27.318 14.288 697 HA ILE 86 HA ILE 86 63.827 26.266 15.940 698 HB ILE 86 HB ILE 86 65.707 25.837 17.579 699 HG12 ILE 86 1HG1 ILE 86 67.401 27.067 15.398 700 HG13 ILE 86 2HG1 ILE 86 67.012 27.875 16.912 701 HG21 ILE 86 1HG2 ILE 86 66.941 24.788 15.233 702 HG22 ILE 86 2HG2 ILE 86 65.921 23.965 16.412 703 HG23 ILE 86 3HG2 ILE 86 65.191 24.764 15.020 704 HD11 ILE 86 3HD1 ILE 86 69.213 26.907 17.025 705 HD12 ILE 86 1HD1 ILE 86 68.133 26.065 18.136 706 HD13 ILE 86 2HD1 ILE 86 68.570 25.322 16.596 707 H ALA 87 H ALA 87 63.784 26.554 18.399 708 HA ALA 87 HA ALA 87 62.648 28.979 19.060 709 HB1 ALA 87 1HB ALA 87 62.161 27.861 20.911 710 HB2 ALA 87 2HB ALA 87 63.247 26.570 20.395 711 HB3 ALA 87 3HB ALA 87 63.854 27.883 21.404 712 HA PRO 88 HA PRO 88 65.844 31.886 19.827 713 HB2 PRO 88 1HB PRO 88 64.937 33.185 22.032 714 HB3 PRO 88 2HB PRO 88 64.208 33.382 20.434 715 HG2 PRO 88 1HG PRO 88 63.315 31.675 22.726 716 HG3 PRO 88 2HG PRO 88 62.346 32.696 21.647 717 HD2 PRO 88 1HD PRO 88 62.528 30.012 21.339 718 HD3 PRO 88 2HD PRO 88 62.328 31.119 19.966 719 H GLN 89 H GLN 89 64.932 29.756 22.449 720 HA GLN 89 HA GLN 89 67.304 30.372 23.998 721 HB2 GLN 89 1HB GLN 89 66.439 28.885 25.645 722 HB3 GLN 89 2HB GLN 89 65.077 29.814 25.033 723 HG2 GLN 89 1HG GLN 89 65.090 27.616 23.396 724 HG3 GLN 89 2HG GLN 89 65.579 26.950 24.953 725 HE21 GLN 89 2HE2 GLN 89 63.903 26.106 25.945 726 HE22 GLN 89 1HE2 GLN 89 62.315 26.781 26.024 727 H GLN 90 H GLN 90 66.436 28.277 21.471 728 HA GLN 90 HA GLN 90 68.607 26.406 22.099 729 HB2 GLN 90 1HB GLN 90 66.586 26.158 19.874 730 HB3 GLN 90 2HB GLN 90 67.630 24.901 20.524 731 HG2 GLN 90 1HG GLN 90 66.369 25.314 22.734 732 HG3 GLN 90 2HG GLN 90 65.172 26.112 21.716 733 HE21 GLN 90 2HE2 GLN 90 63.567 24.629 22.034 734 HE22 GLN 90 1HE2 GLN 90 63.636 23.010 21.436 735 H ARG 91 H ARG 91 68.002 29.166 20.310 736 HA ARG 91 HA ARG 91 69.865 28.488 18.166 737 HB2 ARG 91 1HB ARG 91 69.148 30.465 17.072 738 HB3 ARG 91 2HB ARG 91 67.698 29.732 17.746 739 HG2 ARG 91 1HG ARG 91 67.735 31.302 19.596 740 HG3 ARG 91 2HG ARG 91 69.227 32.014 18.979 741 HD2 ARG 91 1HD ARG 91 67.285 33.365 18.377 742 HD3 ARG 91 2HD ARG 91 68.071 32.700 16.946 743 HE ARG 91 HE ARG 91 66.108 30.899 17.561 744 HH11 ARG 91 1HH1 ARG 91 66.213 34.313 16.888 745 HH12 ARG 91 2HH1 ARG 91 64.624 34.359 16.198 746 HH21 ARG 91 1HH2 ARG 91 64.015 30.946 16.656 747 HH22 ARG 91 2HH2 ARG 91 63.375 32.443 16.068 748 H ARG 92 H ARG 92 70.577 28.929 21.076 749 HA ARG 92 HA ARG 92 72.035 31.362 21.241 750 HB2 ARG 92 1HB ARG 92 73.120 30.261 23.223 751 HB3 ARG 92 2HB ARG 92 71.363 30.319 23.279 752 HG2 ARG 92 1HG ARG 92 71.178 28.018 22.755 753 HG3 ARG 92 2HG ARG 92 72.888 27.910 22.332 754 HD2 ARG 92 1HD ARG 92 73.572 27.985 24.542 755 HD3 ARG 92 2HD ARG 92 72.083 28.761 25.081 756 HE ARG 92 HE ARG 92 71.224 26.347 24.249 757 HH11 ARG 92 1HH1 ARG 92 73.794 27.336 26.380 758 HH12 ARG 92 2HH1 ARG 92 73.710 25.907 27.357 759 HH21 ARG 92 1HH2 ARG 92 71.104 24.462 25.528 760 HH22 ARG 92 2HH2 ARG 92 72.180 24.273 26.871 761 H GLY 93 H GLY 93 74.017 31.867 20.540 762 HA2 GLY 93 1HA GLY 93 76.117 29.964 20.238 763 HA3 GLY 93 2HA GLY 93 75.411 30.370 18.681 764 H ALA 94 H ALA 94 76.708 31.739 17.662 765 HA ALA 94 HA ALA 94 78.226 33.713 19.188 766 HB1 ALA 94 1HB ALA 94 78.576 32.328 16.650 767 HB2 ALA 94 2HB ALA 94 78.925 34.054 16.552 768 HB3 ALA 94 3HB ALA 94 79.775 33.048 17.725 769 HA PRO 95 HA PRO 95 75.799 37.200 18.094 770 HB2 PRO 95 1HB PRO 95 77.683 39.091 17.599 771 HB3 PRO 95 2HB PRO 95 77.323 38.496 19.224 772 HG2 PRO 95 1HG PRO 95 79.547 37.725 17.373 773 HG3 PRO 95 2HG PRO 95 79.600 38.036 19.118 774 HD2 PRO 95 1HD PRO 95 79.543 35.534 18.085 775 HD3 PRO 95 2HD PRO 95 78.796 35.941 19.643 776 H VAL 96 H VAL 96 74.750 36.727 16.188 777 HA VAL 96 HA VAL 96 76.135 37.529 13.710 778 HB VAL 96 HB VAL 96 74.431 35.994 12.568 779 HG11 VAL 96 1HG1 VAL 96 75.850 33.920 13.333 780 HG12 VAL 96 2HG1 VAL 96 76.587 35.226 12.402 781 HG13 VAL 96 3HG1 VAL 96 76.811 35.152 14.151 782 HG21 VAL 96 3HG2 VAL 96 73.143 35.783 14.800 783 HG22 VAL 96 1HG2 VAL 96 73.326 34.352 13.784 784 HG23 VAL 96 2HG2 VAL 96 74.355 34.566 15.200 785 HA PRO 97 HA PRO 97 73.004 40.519 12.983 786 HB2 PRO 97 1HB PRO 97 72.809 40.449 10.276 787 HB3 PRO 97 2HB PRO 97 74.196 41.147 11.121 788 HG2 PRO 97 1HG PRO 97 73.907 38.445 9.865 789 HG3 PRO 97 2HG PRO 97 75.278 39.567 9.802 790 HD2 PRO 97 1HD PRO 97 75.222 37.427 11.460 791 HD3 PRO 97 2HD PRO 97 76.048 38.941 11.882 792 H GLN 98 H GLN 98 70.834 40.581 13.027 793 HA GLN 98 HA GLN 98 69.296 38.232 12.863 794 HB2 GLN 98 1HB GLN 98 67.337 39.817 12.969 795 HB3 GLN 98 2HB GLN 98 68.514 39.989 14.264 796 HG2 GLN 98 1HG GLN 98 68.771 42.125 13.778 797 HG3 GLN 98 2HG GLN 98 69.268 41.713 12.137 798 HE21 GLN 98 2HE2 GLN 98 66.224 41.626 13.967 799 HE22 GLN 98 1HE2 GLN 98 65.292 42.473 12.784 800 H GLU 99 H GLU 99 69.952 40.792 10.550 801 HA GLU 99 HA GLU 99 67.988 40.285 8.659 802 HB2 GLU 99 1HB GLU 99 69.694 41.166 6.997 803 HB3 GLU 99 2HB GLU 99 69.327 42.212 8.361 804 HG2 GLU 99 1HG GLU 99 71.367 41.566 9.465 805 HG3 GLU 99 2HG GLU 99 71.719 40.394 8.197 806 H LEU 100 H LEU 100 71.121 38.714 9.118 807 HA LEU 100 HA LEU 100 71.166 37.141 6.821 808 HB2 LEU 100 1HB LEU 100 72.469 37.123 9.443 809 HB3 LEU 100 2HB LEU 100 72.344 35.534 8.690 810 HG LEU 100 HG LEU 100 73.581 36.315 6.759 811 HD11 LEU 100 1HD1 LEU 100 74.682 38.698 7.225 812 HD12 LEU 100 2HD1 LEU 100 73.129 38.951 8.021 813 HD13 LEU 100 3HD1 LEU 100 73.183 38.499 6.317 814 HD21 LEU 100 3HD2 LEU 100 75.256 35.578 8.045 815 HD22 LEU 100 1HD2 LEU 100 74.642 36.401 9.478 816 HD23 LEU 100 2HD2 LEU 100 75.622 37.284 8.306 817 H LEU 101 H LEU 101 69.641 36.558 9.953 818 HA LEU 101 HA LEU 101 68.763 33.916 9.280 819 HB2 LEU 101 1HB LEU 101 67.830 35.773 11.464 820 HB3 LEU 101 2HB LEU 101 67.460 34.054 11.346 821 HG LEU 101 HG LEU 101 69.164 33.850 12.796 822 HD11 LEU 101 1HD1 LEU 101 69.968 32.999 10.528 823 HD12 LEU 101 2HD1 LEU 101 71.185 33.260 11.777 824 HD13 LEU 101 3HD1 LEU 101 70.982 34.441 10.483 825 HD21 LEU 101 3HD2 LEU 101 71.119 35.642 12.640 826 HD22 LEU 101 1HD2 LEU 101 69.621 35.959 13.514 827 HD23 LEU 101 2HD2 LEU 101 69.839 36.591 11.882 828 H ASP 102 H ASP 102 67.514 37.126 8.885 829 HA ASP 102 HA ASP 102 64.791 36.347 8.449 830 HB2 ASP 102 1HB ASP 102 65.578 38.638 9.204 831 HB3 ASP 102 2HB ASP 102 66.103 38.911 7.545 832 H ARG 103 H ARG 103 67.609 36.908 6.429 833 HA ARG 103 HA ARG 103 66.165 36.762 3.956 834 HB2 ARG 103 1HB ARG 103 68.421 36.663 2.929 835 HB3 ARG 103 2HB ARG 103 68.229 38.014 4.038 836 HG2 ARG 103 1HG ARG 103 69.417 36.749 5.769 837 HG3 ARG 103 2HG ARG 103 69.633 35.417 4.631 838 HD2 ARG 103 1HD ARG 103 70.762 38.203 4.442 839 HD3 ARG 103 2HD ARG 103 71.651 36.696 4.660 840 HE ARG 103 HE ARG 103 70.317 36.373 2.299 841 HH11 ARG 103 1HH1 ARG 103 72.554 38.719 3.569 842 HH12 ARG 103 2HH1 ARG 103 73.236 39.099 2.023 843 HH21 ARG 103 1HH2 ARG 103 71.207 36.865 0.257 844 HH22 ARG 103 2HH2 ARG 103 72.468 38.045 0.139 845 H VAL 104 H VAL 104 68.162 34.536 5.851 846 HA VAL 104 HA VAL 104 68.070 32.400 3.986 847 HB VAL 104 HB VAL 104 68.895 30.991 5.789 848 HG11 VAL 104 1HG1 VAL 104 70.096 33.474 4.970 849 HG12 VAL 104 2HG1 VAL 104 70.626 33.034 6.594 850 HG13 VAL 104 3HG1 VAL 104 70.849 31.905 5.257 851 HG21 VAL 104 3HG2 VAL 104 69.310 32.348 8.021 852 HG22 VAL 104 1HG2 VAL 104 67.874 33.215 7.476 853 HG23 VAL 104 2HG2 VAL 104 67.805 31.472 7.739 854 H LEU 105 H LEU 105 66.074 33.302 6.751 855 HA LEU 105 HA LEU 105 64.499 30.927 6.734 856 HB2 LEU 105 1HB LEU 105 64.194 33.631 7.990 857 HB3 LEU 105 2HB LEU 105 62.908 32.430 8.088 858 HG LEU 105 HG LEU 105 65.714 32.003 9.109 859 HD11 LEU 105 1HD1 LEU 105 64.008 33.766 10.196 860 HD12 LEU 105 2HD1 LEU 105 65.130 32.789 11.142 861 HD13 LEU 105 3HD1 LEU 105 63.448 32.287 10.977 862 HD21 LEU 105 3HD2 LEU 105 65.118 29.888 9.408 863 HD22 LEU 105 1HD2 LEU 105 63.607 30.216 8.560 864 HD23 LEU 105 2HD2 LEU 105 63.688 30.385 10.314 865 H ALA 106 H ALA 106 63.868 34.255 5.630 866 HA ALA 106 HA ALA 106 61.326 33.825 4.573 867 HB1 ALA 106 1HB ALA 106 63.432 35.765 3.624 868 HB2 ALA 106 2HB ALA 106 61.710 35.846 3.248 869 HB3 ALA 106 3HB ALA 106 62.260 36.050 4.911 870 H ALA 107 H ALA 107 64.503 33.549 3.013 871 HA ALA 107 HA ALA 107 63.537 32.913 0.440 872 HB1 ALA 107 1HB ALA 107 65.764 33.655 0.577 873 HB2 ALA 107 2HB ALA 107 66.178 32.447 1.795 874 HB3 ALA 107 3HB ALA 107 65.869 31.952 0.131 875 H GLN 108 H GLN 108 64.558 30.879 3.161 876 HA GLN 108 HA GLN 108 64.403 28.392 1.946 877 HB2 GLN 108 1HB GLN 108 65.264 28.881 4.253 878 HB3 GLN 108 2HB GLN 108 63.595 28.996 4.793 879 HG2 GLN 108 1HG GLN 108 64.152 26.837 5.359 880 HG3 GLN 108 2HG GLN 108 63.358 26.624 3.799 881 HE21 GLN 108 2HE2 GLN 108 64.352 25.268 2.509 882 HE22 GLN 108 1HE2 GLN 108 66.052 24.968 2.449 883 H ALA 109 H ALA 109 61.842 30.174 3.655 884 HA ALA 109 HA ALA 109 59.834 28.220 3.143 885 HB1 ALA 109 1HB ALA 109 59.947 30.116 4.942 886 HB2 ALA 109 2HB ALA 109 59.148 31.070 3.692 887 HB3 ALA 109 3HB ALA 109 58.393 29.593 4.291 888 H TYR 110 H TYR 110 60.787 31.243 1.579 889 HA TYR 110 HA TYR 110 58.659 31.458 -0.224 890 HB2 TYR 110 1HB TYR 110 61.423 32.530 -0.065 891 HB3 TYR 110 2HB TYR 110 60.643 32.583 -1.642 892 HD1 TYR 110 HD1 TYR 110 59.110 33.018 1.721 893 HD2 TYR 110 HD2 TYR 110 60.188 34.852 -1.964 894 HE1 TYR 110 HE1 TYR 110 57.908 35.057 2.391 895 HE2 TYR 110 HE2 TYR 110 58.990 36.896 -1.304 896 HH TYR 110 HH TYR 110 57.742 37.339 1.909 897 H TRP 111 H TRP 111 61.753 29.762 -0.490 898 HA TRP 111 HA TRP 111 61.267 28.879 -3.174 899 HB2 TRP 111 1HB TRP 111 63.312 28.081 -1.098 900 HB3 TRP 111 2HB TRP 111 63.261 27.389 -2.717 901 HD1 TRP 111 HD1 TRP 111 65.225 29.768 -1.007 902 HE1 TRP 111 HE1 TRP 111 66.123 31.630 -2.539 903 HE3 TRP 111 HE3 TRP 111 62.091 29.121 -4.994 904 HZ2 TRP 111 HZ2 TRP 111 65.576 32.685 -5.100 905 HZ3 TRP 111 HZ3 TRP 111 62.344 30.598 -6.945 906 HH2 TRP 111 HH2 TRP 111 64.051 32.343 -6.995 907 H SER 112 H SER 112 60.330 27.812 -0.066 908 HA SER 112 HA SER 112 60.021 25.036 -0.693 909 HB2 SER 112 1HB SER 112 60.223 25.380 1.596 910 HB3 SER 112 2HB SER 112 59.192 26.810 1.576 911 HG SER 112 HG SER 112 57.454 25.583 1.696 912 H VAL 113 H VAL 113 58.079 23.895 -1.029 913 HA VAL 113 HA VAL 113 55.986 25.512 -2.307 914 HB VAL 113 HB VAL 113 55.263 23.325 -3.319 915 HG11 VAL 113 1HG1 VAL 113 56.662 24.992 -4.501 916 HG12 VAL 113 2HG1 VAL 113 58.100 24.137 -3.939 917 HG13 VAL 113 3HG1 VAL 113 56.964 23.336 -5.025 918 HG21 VAL 113 3HG2 VAL 113 56.685 21.421 -3.229 919 HG22 VAL 113 1HG2 VAL 113 57.935 22.318 -2.365 920 HG23 VAL 113 2HG2 VAL 113 56.411 21.935 -1.564 921 H ASP 114 H ASP 114 56.596 23.268 0.273 922 HA ASP 114 HA ASP 114 53.801 23.566 1.134 923 HB2 ASP 114 1HB ASP 114 54.336 21.278 0.108 924 HB3 ASP 114 2HB ASP 114 55.336 21.003 1.532 925 H SER 115 H SER 115 53.789 24.623 2.994 926 HA SER 115 HA SER 115 56.132 24.616 4.709 927 HB2 SER 115 1HB SER 115 54.770 26.697 4.132 928 HB3 SER 115 2HB SER 115 53.532 26.065 5.218 929 HG SER 115 HG SER 115 55.308 27.570 6.034 930 H SER 116 H SER 116 56.095 22.488 5.507 931 HA SER 116 HA SER 116 53.863 21.870 7.326 932 HB2 SER 116 1HB SER 116 54.218 20.237 5.486 933 HB3 SER 116 2HB SER 116 55.849 19.947 6.090 934 HG SER 116 HG SER 116 55.004 19.061 7.932 935 H GLY 117 H GLY 117 54.582 22.900 9.165 936 HA2 GLY 117 1HA GLY 117 55.650 22.200 11.268 937 HA3 GLY 117 2HA GLY 117 57.077 21.812 10.317 938 H ARG 118 H ARG 118 54.922 24.638 10.652 939 HA ARG 118 HA ARG 118 57.138 26.255 11.580 940 HB2 ARG 118 1HB ARG 118 56.802 26.156 8.884 941 HB3 ARG 118 2HB ARG 118 55.749 27.503 9.296 942 HG2 ARG 118 1HG ARG 118 58.394 27.583 10.558 943 HG3 ARG 118 2HG ARG 118 58.400 27.713 8.798 944 HD2 ARG 118 1HD ARG 118 56.490 29.448 9.217 945 HD3 ARG 118 2HD ARG 118 57.186 29.527 10.835 946 HE ARG 118 HE ARG 118 59.195 29.808 8.851 947 HH11 ARG 118 1HH1 ARG 118 56.605 31.524 10.421 948 HH12 ARG 118 2HH1 ARG 118 57.311 33.086 10.169 949 HH21 ARG 118 1HH2 ARG 118 60.135 31.858 8.512 950 HH22 ARG 118 2HH2 ARG 118 59.319 33.275 9.082 951 H ILE 119 H ILE 119 54.798 25.473 12.867 952 HA ILE 119 HA ILE 119 53.254 27.983 12.953 953 HB ILE 119 HB ILE 119 52.270 25.304 13.921 954 HG12 ILE 119 1HG1 ILE 119 50.815 25.710 11.700 955 HG13 ILE 119 2HG1 ILE 119 52.312 26.484 11.194 956 HG21 ILE 119 1HG2 ILE 119 50.087 26.759 13.281 957 HG22 ILE 119 2HG2 ILE 119 50.808 26.716 14.889 958 HG23 ILE 119 3HG2 ILE 119 51.191 28.037 13.786 959 HD11 ILE 119 3HD1 ILE 119 53.272 24.175 12.195 960 HD12 ILE 119 1HD1 ILE 119 51.694 23.646 11.612 961 HD13 ILE 119 2HD1 ILE 119 52.830 24.417 10.505 962 H VAL 120 H VAL 120 55.504 26.145 14.578 963 HA VAL 120 HA VAL 120 54.633 27.088 17.223 964 HB VAL 120 HB VAL 120 56.459 25.538 18.065 965 HG11 VAL 120 1HG1 VAL 120 54.252 24.183 16.525 966 HG12 VAL 120 2HG1 VAL 120 55.049 23.612 17.992 967 HG13 VAL 120 3HG1 VAL 120 54.008 25.034 18.049 968 HG21 VAL 120 3HG2 VAL 120 57.222 23.780 16.573 969 HG22 VAL 120 1HG2 VAL 120 56.314 24.492 15.239 970 HG23 VAL 120 2HG2 VAL 120 57.682 25.360 15.937 971 H THR 121 H THR 121 55.397 29.234 16.170 972 HA THR 121 HA THR 121 58.296 29.576 16.474 973 HB THR 121 HB THR 121 56.441 31.711 15.460 974 HG1 THR 121 HG1 THR 121 56.528 30.832 13.440 975 HG21 THR 121 3HG2 THR 121 58.357 32.808 15.176 976 HG22 THR 121 1HG2 THR 121 58.917 31.542 14.084 977 HG23 THR 121 2HG2 THR 121 59.253 31.428 15.812 978 H LEU 122 H LEU 122 56.340 29.321 18.706 979 HA LEU 122 HA LEU 122 56.379 31.982 19.898 980 HB2 LEU 122 1HB LEU 122 54.969 31.086 21.600 981 HB3 LEU 122 2HB LEU 122 54.359 30.550 20.036 982 HG LEU 122 HG LEU 122 55.903 28.435 20.709 983 HD11 LEU 122 1HD1 LEU 122 54.668 28.565 23.288 984 HD12 LEU 122 2HD1 LEU 122 55.759 29.934 23.079 985 HD13 LEU 122 3HD1 LEU 122 56.359 28.288 22.872 986 HD21 LEU 122 3HD2 LEU 122 53.740 27.423 21.550 987 HD22 LEU 122 1HD2 LEU 122 53.687 28.155 19.946 988 HD23 LEU 122 2HD2 LEU 122 53.018 29.018 21.331 Start of MODEL 18 1 H1 GLY 1 H GLY 1 36.371 75.527 -23.067 2 HA2 GLY 1 1HA GLY 1 34.343 75.538 -21.015 3 HA3 GLY 1 2HA GLY 1 34.208 74.184 -22.128 4 H SER 2 H SER 2 35.722 75.384 -19.350 5 HA SER 2 HA SER 2 37.145 72.900 -18.982 6 HB2 SER 2 1HB SER 2 38.651 75.521 -19.144 7 HB3 SER 2 2HB SER 2 39.330 74.016 -18.524 8 HG SER 2 HG SER 2 39.456 73.240 -20.501 9 HA PRO 3 HA PRO 3 35.368 74.909 -15.176 10 HB2 PRO 3 1HB PRO 3 33.969 72.723 -14.380 11 HB3 PRO 3 2HB PRO 3 33.317 73.925 -15.499 12 HG2 PRO 3 1HG PRO 3 34.543 71.258 -16.088 13 HG3 PRO 3 2HG PRO 3 33.098 72.006 -16.794 14 HD2 PRO 3 1HD PRO 3 35.495 71.994 -18.054 15 HD3 PRO 3 2HD PRO 3 34.327 73.319 -18.235 16 H PHE 4 H PHE 4 35.259 73.670 -12.906 17 HA PHE 4 HA PHE 4 37.825 72.249 -12.620 18 HB2 PHE 4 1HB PHE 4 36.486 74.268 -10.827 19 HB3 PHE 4 2HB PHE 4 37.758 73.201 -10.242 20 HD1 PHE 4 HD1 PHE 4 40.037 73.362 -11.191 21 HD2 PHE 4 HD2 PHE 4 36.977 76.153 -12.172 22 HE1 PHE 4 HE1 PHE 4 41.739 74.929 -12.028 23 HE2 PHE 4 HE2 PHE 4 38.674 77.724 -13.011 24 HZ PHE 4 HZ PHE 4 41.059 77.113 -12.941 25 H ALA 5 H ALA 5 37.960 70.598 -11.036 26 HA ALA 5 HA ALA 5 35.394 69.610 -10.000 27 HB1 ALA 5 1HB ALA 5 35.441 67.717 -11.168 28 HB2 ALA 5 2HB ALA 5 36.700 68.459 -12.156 29 HB3 ALA 5 3HB ALA 5 37.141 67.439 -10.786 30 H ASP 6 H ASP 6 35.528 68.344 -8.114 31 HA ASP 6 HA ASP 6 38.069 68.656 -6.663 32 HB2 ASP 6 1HB ASP 6 36.585 68.326 -4.613 33 HB3 ASP 6 2HB ASP 6 36.379 69.834 -5.500 34 HA PRO 7 HA PRO 7 38.031 64.158 -7.300 35 HB2 PRO 7 1HB PRO 7 40.704 63.876 -6.918 36 HB3 PRO 7 2HB PRO 7 40.002 64.379 -8.460 37 HG2 PRO 7 1HG PRO 7 41.235 66.051 -6.305 38 HG3 PRO 7 2HG PRO 7 41.434 66.168 -8.063 39 HD2 PRO 7 1HD PRO 7 39.788 67.807 -6.670 40 HD3 PRO 7 2HD PRO 7 39.446 67.303 -8.338 41 H ASN 8 H ASN 8 37.067 63.317 -5.518 42 HA ASN 8 HA ASN 8 37.930 63.813 -2.857 43 HB2 ASN 8 1HB ASN 8 35.599 63.135 -3.572 44 HB3 ASN 8 2HB ASN 8 36.223 61.503 -3.790 45 HD21 ASN 8 2HD2 ASN 8 35.197 60.448 -2.203 46 HD22 ASN 8 1HD2 ASN 8 35.338 60.822 -0.522 47 H SER 9 H SER 9 39.012 62.467 -1.412 48 HA SER 9 HA SER 9 40.565 60.297 -2.664 49 HB2 SER 9 1HB SER 9 42.324 60.818 -0.952 50 HB3 SER 9 2HB SER 9 42.044 62.119 -2.109 51 HG SER 9 HG SER 9 42.036 62.385 0.435 52 H LEU 10 H LEU 10 41.148 58.507 -1.291 53 HA LEU 10 HA LEU 10 39.191 58.070 0.867 54 HB2 LEU 10 1HB LEU 10 40.327 56.275 -1.225 55 HB3 LEU 10 2HB LEU 10 39.831 55.585 0.319 56 HG LEU 10 HG LEU 10 38.084 55.340 -1.357 57 HD11 LEU 10 1HD1 LEU 10 37.181 57.439 0.591 58 HD12 LEU 10 2HD1 LEU 10 37.593 55.800 1.094 59 HD13 LEU 10 3HD1 LEU 10 36.277 56.066 -0.048 60 HD21 LEU 10 3HD2 LEU 10 38.827 57.504 -2.551 61 HD22 LEU 10 1HD2 LEU 10 37.743 58.315 -1.420 62 HD23 LEU 10 2HD2 LEU 10 37.111 57.095 -2.526 63 H ALA 11 H ALA 11 39.903 57.562 2.852 64 HA ALA 11 HA ALA 11 42.806 57.340 3.228 65 HB1 ALA 11 1HB ALA 11 41.622 57.634 5.731 66 HB2 ALA 11 2HB ALA 11 42.446 58.879 4.791 67 HB3 ALA 11 3HB ALA 11 40.697 58.690 4.661 68 H LEU 12 H LEU 12 43.379 56.017 5.279 69 HA LEU 12 HA LEU 12 42.081 53.401 4.989 70 HB2 LEU 12 1HB LEU 12 44.790 54.208 6.022 71 HB3 LEU 12 2HB LEU 12 44.154 52.569 6.149 72 HG LEU 12 HG LEU 12 43.908 52.796 3.546 73 HD11 LEU 12 1HD1 LEU 12 45.487 55.141 4.299 74 HD12 LEU 12 2HD1 LEU 12 44.593 54.798 2.818 75 HD13 LEU 12 3HD1 LEU 12 46.218 54.147 3.038 76 HD21 LEU 12 3HD2 LEU 12 46.686 52.478 4.634 77 HD22 LEU 12 1HD2 LEU 12 45.913 51.619 3.302 78 HD23 LEU 12 2HD2 LEU 12 45.420 51.294 4.964 79 H ALA 13 H ALA 13 42.378 52.047 7.129 80 HA ALA 13 HA ALA 13 41.600 53.701 9.433 81 HB1 ALA 13 1HB ALA 13 40.165 51.283 9.621 82 HB2 ALA 13 2HB ALA 13 39.528 52.911 9.382 83 HB3 ALA 13 3HB ALA 13 39.915 51.902 7.988 84 H ASN 14 H ASN 14 42.203 50.283 8.583 85 HA ASN 14 HA ASN 14 44.155 50.170 10.776 86 HB2 ASN 14 1HB ASN 14 41.876 48.273 10.242 87 HB3 ASN 14 2HB ASN 14 43.296 47.778 11.158 88 HD21 ASN 14 2HD2 ASN 14 40.561 47.956 12.046 89 HD22 ASN 14 1HD2 ASN 14 40.538 49.076 13.361 90 H VAL 15 H VAL 15 45.760 48.499 10.558 91 HA VAL 15 HA VAL 15 46.168 47.692 7.752 92 HB VAL 15 HB VAL 15 48.618 47.557 8.415 93 HG11 VAL 15 1HG1 VAL 15 47.070 50.111 8.210 94 HG12 VAL 15 2HG1 VAL 15 48.827 50.131 8.371 95 HG13 VAL 15 3HG1 VAL 15 48.075 49.316 6.999 96 HG21 VAL 15 3HG2 VAL 15 47.702 49.276 10.717 97 HG22 VAL 15 1HG2 VAL 15 48.184 47.585 10.863 98 HG23 VAL 15 2HG2 VAL 15 49.356 48.795 10.339 99 HA PRO 16 HA PRO 16 46.189 43.455 8.904 100 HB2 PRO 16 1HB PRO 16 48.013 42.445 7.165 101 HB3 PRO 16 2HB PRO 16 46.401 42.972 6.668 102 HG2 PRO 16 1HG PRO 16 49.013 44.420 6.467 103 HG3 PRO 16 2HG PRO 16 47.708 44.295 5.273 104 HD2 PRO 16 1HD PRO 16 48.041 46.476 6.843 105 HD3 PRO 16 2HD PRO 16 46.444 45.927 6.297 106 H LEU 17 H LEU 17 47.691 41.624 9.510 107 HA LEU 17 HA LEU 17 50.205 42.576 10.687 108 HB2 LEU 17 1HB LEU 17 48.283 40.791 12.158 109 HB3 LEU 17 2HB LEU 17 49.760 41.526 12.777 110 HG LEU 17 HG LEU 17 47.379 43.157 11.928 111 HD11 LEU 17 1HD1 LEU 17 48.011 42.084 14.674 112 HD12 LEU 17 2HD1 LEU 17 46.643 41.621 13.663 113 HD13 LEU 17 3HD1 LEU 17 46.757 43.264 14.292 114 HD21 LEU 17 3HD2 LEU 17 49.073 44.152 14.056 115 HD22 LEU 17 1HD2 LEU 17 48.592 44.919 12.542 116 HD23 LEU 17 2HD2 LEU 17 49.985 43.838 12.579 117 H SER 18 H SER 18 51.603 40.737 11.412 118 HA SER 18 HA SER 18 51.190 38.360 9.720 119 HB2 SER 18 1HB SER 18 53.049 40.160 9.102 120 HB3 SER 18 2HB SER 18 53.966 39.275 10.321 121 HG SER 18 HG SER 18 52.872 38.319 7.897 122 H ARG 19 H ARG 19 52.455 36.452 10.448 123 HA ARG 19 HA ARG 19 53.567 36.283 13.030 124 HB2 ARG 19 1HB ARG 19 51.198 36.671 13.682 125 HB3 ARG 19 2HB ARG 19 50.750 35.208 12.815 126 HG2 ARG 19 1HG ARG 19 52.239 33.919 14.320 127 HG3 ARG 19 2HG ARG 19 52.528 35.401 15.235 128 HD2 ARG 19 1HD ARG 19 49.928 33.927 14.871 129 HD3 ARG 19 2HD ARG 19 50.823 34.184 16.368 130 HE ARG 19 HE ARG 19 50.250 36.698 15.462 131 HH11 ARG 19 1HH1 ARG 19 48.384 33.863 16.239 132 HH12 ARG 19 2HH1 ARG 19 46.983 34.759 16.725 133 HH21 ARG 19 1HH2 ARG 19 48.412 37.889 16.099 134 HH22 ARG 19 2HH2 ARG 19 47.000 37.049 16.645 135 H SER 20 H SER 20 54.516 34.301 13.394 136 HA SER 20 HA SER 20 53.800 31.957 11.917 137 HB2 SER 20 1HB SER 20 56.182 31.851 10.865 138 HB3 SER 20 2HB SER 20 54.939 32.813 10.066 139 HG SER 20 HG SER 20 56.167 34.480 10.345 140 H LYS 21 H LYS 21 54.747 30.107 12.735 141 HA LYS 21 HA LYS 21 56.808 30.411 14.792 142 HB2 LYS 21 1HB LYS 21 54.093 29.167 15.180 143 HB3 LYS 21 2HB LYS 21 55.461 28.738 16.198 144 HG2 LYS 21 1HG LYS 21 55.676 31.254 16.636 145 HG3 LYS 21 2HG LYS 21 54.047 31.368 15.964 146 HD2 LYS 21 1HD LYS 21 53.311 29.676 17.639 147 HD3 LYS 21 2HD LYS 21 54.920 29.754 18.359 148 HE2 LYS 21 1HE LYS 21 54.599 31.884 19.172 149 HE3 LYS 21 2HE LYS 21 53.385 32.279 17.956 150 HZ1 LYS 21 3HZ LYS 21 51.934 31.913 19.592 151 HZ2 LYS 21 1HZ LYS 21 53.058 31.093 20.555 152 HZ3 LYS 21 2HZ LYS 21 52.226 30.266 19.337 153 H ARG 22 H ARG 22 57.528 28.156 15.564 154 HA ARG 22 HA ARG 22 57.166 25.974 13.745 155 HB2 ARG 22 1HB ARG 22 59.694 25.911 13.222 156 HB3 ARG 22 2HB ARG 22 58.675 27.006 12.297 157 HG2 ARG 22 1HG ARG 22 59.958 28.066 14.750 158 HG3 ARG 22 2HG ARG 22 60.982 27.766 13.344 159 HD2 ARG 22 1HD ARG 22 59.023 29.050 12.108 160 HD3 ARG 22 2HD ARG 22 58.780 29.728 13.717 161 HE ARG 22 HE ARG 22 60.930 30.297 11.910 162 HH11 ARG 22 1HH1 ARG 22 59.985 30.188 15.258 163 HH12 ARG 22 2HH1 ARG 22 61.164 31.351 15.765 164 HH21 ARG 22 1HH2 ARG 22 62.487 31.830 12.564 165 HH22 ARG 22 2HH2 ARG 22 62.587 32.285 14.231 166 HA PRO 23 HA PRO 23 58.445 23.653 17.242 167 HB2 PRO 23 1HB PRO 23 59.575 21.474 16.083 168 HB3 PRO 23 2HB PRO 23 57.832 21.767 16.082 169 HG2 PRO 23 1HG PRO 23 59.842 22.283 13.924 170 HG3 PRO 23 2HG PRO 23 58.216 21.589 13.795 171 HD2 PRO 23 1HD PRO 23 58.749 24.173 13.188 172 HD3 PRO 23 2HD PRO 23 57.193 23.653 13.866 173 H ASP 24 H ASP 24 60.369 22.492 18.216 174 HA ASP 24 HA ASP 24 62.939 23.527 17.268 175 HB2 ASP 24 1HB ASP 24 62.317 23.676 20.197 176 HB3 ASP 24 2HB ASP 24 63.523 24.563 19.270 177 H PHE 25 H PHE 25 64.585 22.120 17.486 178 HA PHE 25 HA PHE 25 64.645 20.065 19.464 179 HB2 PHE 25 1HB PHE 25 64.644 18.176 17.763 180 HB3 PHE 25 2HB PHE 25 63.079 18.906 18.106 181 HD1 PHE 25 HD2 PHE 25 62.046 20.437 16.468 182 HD2 PHE 25 HD1 PHE 25 65.617 18.288 15.605 183 HE1 PHE 25 HE2 PHE 25 61.720 20.868 14.068 184 HE2 PHE 25 HE1 PHE 25 65.298 18.716 13.203 185 HZ PHE 25 HZ PHE 25 63.347 20.006 12.431 186 H GLY 26 H GLY 26 66.725 19.947 19.963 187 HA2 GLY 26 1HA GLY 26 68.707 19.739 17.826 188 HA3 GLY 26 2HA GLY 26 68.877 21.087 18.940 189 H GLN 27 H GLN 27 70.017 20.772 20.743 190 HA GLN 27 HA GLN 27 71.220 19.752 22.382 191 HB2 GLN 27 1HB GLN 27 69.525 17.302 21.924 192 HB3 GLN 27 2HB GLN 27 70.354 17.780 23.399 193 HG2 GLN 27 1HG GLN 27 67.981 19.150 22.154 194 HG3 GLN 27 2HG GLN 27 67.981 18.154 23.609 195 HE21 GLN 27 2HE2 GLN 27 66.965 20.661 23.716 196 HE22 GLN 27 1HE2 GLN 27 68.008 21.691 24.630 197 H ARG 28 H ARG 28 72.123 19.619 19.670 198 HA ARG 28 HA ARG 28 73.834 17.245 19.882 199 HB2 ARG 28 1HB ARG 28 72.052 18.006 17.632 200 HB3 ARG 28 2HB ARG 28 73.652 17.412 17.209 201 HG2 ARG 28 1HG ARG 28 72.585 15.428 17.242 202 HG3 ARG 28 2HG ARG 28 72.950 15.526 18.966 203 HD2 ARG 28 1HD ARG 28 70.789 15.902 19.539 204 HD3 ARG 28 2HD ARG 28 70.449 16.819 18.073 205 HE ARG 28 HE ARG 28 70.735 14.302 17.150 206 HH11 ARG 28 1HH1 ARG 28 68.843 15.681 19.726 207 HH12 ARG 28 2HH1 ARG 28 67.572 14.511 19.594 208 HH21 ARG 28 1HH2 ARG 28 69.068 12.756 16.966 209 HH22 ARG 28 2HH2 ARG 28 67.701 12.848 18.025 210 H ARG 29 H ARG 29 73.998 20.274 20.292 211 HA ARG 29 HA ARG 29 75.362 22.042 19.727 212 HB2 ARG 29 1HB ARG 29 77.749 21.447 19.917 213 HB3 ARG 29 2HB ARG 29 76.775 20.700 21.176 214 HG2 ARG 29 1HG ARG 29 76.884 18.578 20.125 215 HG3 ARG 29 2HG ARG 29 77.577 19.271 18.657 216 HD2 ARG 29 1HD ARG 29 79.373 18.267 19.813 217 HD3 ARG 29 2HD ARG 29 79.533 20.002 20.081 218 HE ARG 29 HE ARG 29 78.118 19.184 22.230 219 HH11 ARG 29 1HH1 ARG 29 81.088 18.091 20.780 220 HH12 ARG 29 2HH1 ARG 29 81.771 17.548 22.277 221 HH21 ARG 29 1HH2 ARG 29 79.006 18.473 24.207 222 HH22 ARG 29 2HH2 ARG 29 80.586 17.765 24.226 223 H ILE 30 H ILE 30 74.066 21.396 17.462 224 HA ILE 30 HA ILE 30 76.062 21.059 15.350 225 HB ILE 30 HB ILE 30 73.063 21.270 15.074 226 HG12 ILE 30 1HG1 ILE 30 73.743 19.311 16.427 227 HG13 ILE 30 2HG1 ILE 30 73.046 18.844 14.879 228 HG21 ILE 30 1HG2 ILE 30 73.755 21.675 12.953 229 HG22 ILE 30 2HG2 ILE 30 75.307 20.873 13.189 230 HG23 ILE 30 3HG2 ILE 30 73.853 19.915 12.916 231 HD11 ILE 30 3HD1 ILE 30 76.007 19.061 15.295 232 HD12 ILE 30 1HD1 ILE 30 75.105 17.588 15.651 233 HD13 ILE 30 2HD1 ILE 30 75.133 18.230 14.008 234 H ARG 31 H ARG 31 77.032 23.154 15.748 235 HA ARG 31 HA ARG 31 76.193 25.121 13.952 236 HB2 ARG 31 1HB ARG 31 75.601 26.922 15.621 237 HB3 ARG 31 2HB ARG 31 74.389 25.667 15.400 238 HG2 ARG 31 1HG ARG 31 76.287 25.096 17.543 239 HG3 ARG 31 2HG ARG 31 75.333 26.558 17.799 240 HD2 ARG 31 1HD ARG 31 73.421 24.844 16.937 241 HD3 ARG 31 2HD ARG 31 74.508 23.735 17.773 242 HE ARG 31 HE ARG 31 72.742 25.596 18.973 243 HH11 ARG 31 1HH1 ARG 31 75.908 24.190 19.324 244 HH12 ARG 31 2HH1 ARG 31 75.953 24.398 21.043 245 HH21 ARG 31 1HH2 ARG 31 72.789 25.874 21.237 246 HH22 ARG 31 2HH2 ARG 31 74.178 25.355 22.130 247 H ARG 32 H ARG 32 78.037 26.040 13.368 248 HA ARG 32 HA ARG 32 80.144 26.380 15.401 249 HB2 ARG 32 1HB ARG 32 80.254 25.546 12.531 250 HB3 ARG 32 2HB ARG 32 81.624 26.403 13.225 251 HG2 ARG 32 1HG ARG 32 80.605 24.132 14.798 252 HG3 ARG 32 2HG ARG 32 81.353 23.731 13.251 253 HD2 ARG 32 1HD ARG 32 83.254 25.297 14.027 254 HD3 ARG 32 2HD ARG 32 82.553 25.097 15.633 255 HE ARG 32 HE ARG 32 82.933 22.571 14.450 256 HH11 ARG 32 1HH1 ARG 32 84.739 25.218 15.811 257 HH12 ARG 32 2HH1 ARG 32 86.062 24.223 16.322 258 HH21 ARG 32 1HH2 ARG 32 84.669 21.251 15.118 259 HH22 ARG 32 2HH2 ARG 32 86.022 21.967 15.927 260 HA PRO 33 HA PRO 33 80.269 30.699 14.645 261 HB2 PRO 33 1HB PRO 33 82.928 31.232 14.775 262 HB3 PRO 33 2HB PRO 33 81.960 30.822 16.196 263 HG2 PRO 33 1HG PRO 33 83.762 29.075 14.564 264 HG3 PRO 33 2HG PRO 33 83.591 29.170 16.326 265 HD2 PRO 33 1HD PRO 33 82.426 27.220 14.851 266 HD3 PRO 33 2HD PRO 33 81.696 27.858 16.338 267 H PHE 34 H PHE 34 79.770 31.511 12.707 268 HA PHE 34 HA PHE 34 81.682 31.132 10.497 269 HB2 PHE 34 1HB PHE 34 78.696 31.591 10.315 270 HB3 PHE 34 2HB PHE 34 79.791 31.361 8.955 271 HD1 PHE 34 HD2 PHE 34 81.463 29.142 9.958 272 HD2 PHE 34 HD1 PHE 34 77.260 29.773 10.191 273 HE1 PHE 34 HE2 PHE 34 81.109 26.711 10.085 274 HE2 PHE 34 HE1 PHE 34 76.899 27.342 10.320 275 HZ PHE 34 HZ PHE 34 78.825 25.808 10.266 276 H THR 35 H THR 35 81.703 32.908 8.889 277 HA THR 35 HA THR 35 81.703 35.477 10.280 278 HB THR 35 HB THR 35 82.689 35.230 7.479 279 HG1 THR 35 HG1 THR 35 84.380 34.021 8.017 280 HG21 THR 35 3HG2 THR 35 82.839 37.111 9.572 281 HG22 THR 35 1HG2 THR 35 83.613 37.192 7.990 282 HG23 THR 35 2HG2 THR 35 84.468 36.471 9.354 283 H VAL 36 H VAL 36 80.483 37.209 9.690 284 HA VAL 36 HA VAL 36 78.009 36.887 8.527 285 HB VAL 36 HB VAL 36 78.548 38.846 9.857 286 HG11 VAL 36 1HG1 VAL 36 79.987 40.586 9.145 287 HG12 VAL 36 2HG1 VAL 36 80.875 39.081 8.904 288 HG13 VAL 36 3HG1 VAL 36 80.135 39.899 7.528 289 HG21 VAL 36 3HG2 VAL 36 77.081 38.848 7.456 290 HG22 VAL 36 1HG2 VAL 36 76.872 39.902 8.854 291 HG23 VAL 36 2HG2 VAL 36 77.927 40.394 7.529 292 H ALA 37 H ALA 37 81.058 37.755 6.988 293 HA ALA 37 HA ALA 37 79.912 38.312 4.431 294 HB1 ALA 37 1HB ALA 37 82.023 38.828 3.753 295 HB2 ALA 37 2HB ALA 37 82.249 38.965 5.497 296 HB3 ALA 37 3HB ALA 37 82.758 37.502 4.655 297 H GLU 38 H GLU 38 81.645 35.531 5.809 298 HA GLU 38 HA GLU 38 81.659 33.932 3.514 299 HB2 GLU 38 1HB GLU 38 81.889 33.419 6.441 300 HB3 GLU 38 2HB GLU 38 81.609 32.043 5.383 301 HG2 GLU 38 1HG GLU 38 83.994 32.448 5.880 302 HG3 GLU 38 2HG GLU 38 83.612 32.491 4.159 303 H VAL 39 H VAL 39 79.331 34.031 6.203 304 HA VAL 39 HA VAL 39 77.598 32.060 5.160 305 HB VAL 39 HB VAL 39 77.000 34.315 7.079 306 HG11 VAL 39 1HG1 VAL 39 75.056 32.979 7.747 307 HG12 VAL 39 2HG1 VAL 39 74.958 33.471 6.055 308 HG13 VAL 39 3HG1 VAL 39 75.419 31.819 6.469 309 HG21 VAL 39 3HG2 VAL 39 77.076 31.704 8.252 310 HG22 VAL 39 1HG2 VAL 39 78.577 32.004 7.376 311 HG23 VAL 39 2HG2 VAL 39 78.050 33.123 8.633 312 H GLU 40 H GLU 40 77.675 35.580 4.855 313 HA GLU 40 HA GLU 40 75.211 35.938 3.583 314 HB2 GLU 40 1HB GLU 40 77.742 37.486 3.769 315 HB3 GLU 40 2HB GLU 40 76.621 37.934 2.492 316 HG2 GLU 40 1HG GLU 40 74.922 38.472 4.028 317 HG3 GLU 40 2HG GLU 40 75.771 37.687 5.358 318 H LEU 41 H LEU 41 78.448 35.561 2.143 319 HA LEU 41 HA LEU 41 77.599 35.579 -0.534 320 HB2 LEU 41 1HB LEU 41 80.005 34.220 0.670 321 HB3 LEU 41 2HB LEU 41 79.770 34.574 -1.041 322 HG LEU 41 HG LEU 41 79.721 36.840 0.890 323 HD11 LEU 41 1HD1 LEU 41 82.169 35.299 0.082 324 HD12 LEU 41 2HD1 LEU 41 81.659 35.783 1.698 325 HD13 LEU 41 3HD1 LEU 41 82.230 36.997 0.554 326 HD21 LEU 41 3HD2 LEU 41 80.967 37.861 -1.085 327 HD22 LEU 41 1HD2 LEU 41 79.271 37.445 -1.331 328 HD23 LEU 41 2HD2 LEU 41 80.538 36.394 -1.966 329 H LEU 42 H LEU 42 78.262 32.867 1.668 330 HA LEU 42 HA LEU 42 77.749 30.783 -0.107 331 HB2 LEU 42 1HB LEU 42 78.650 29.966 1.801 332 HB3 LEU 42 2HB LEU 42 77.793 31.116 2.825 333 HG LEU 42 HG LEU 42 75.761 29.752 2.641 334 HD11 LEU 42 1HD1 LEU 42 76.778 27.308 1.705 335 HD12 LEU 42 2HD1 LEU 42 77.232 28.526 0.513 336 HD13 LEU 42 3HD1 LEU 42 75.539 28.322 0.964 337 HD21 LEU 42 3HD2 LEU 42 76.380 28.387 4.330 338 HD22 LEU 42 1HD2 LEU 42 77.872 29.325 4.244 339 HD23 LEU 42 2HD2 LEU 42 77.773 27.751 3.454 340 H VAL 43 H VAL 43 75.517 32.266 2.247 341 HA VAL 43 HA VAL 43 73.242 30.824 1.412 342 HB VAL 43 HB VAL 43 73.368 33.518 2.776 343 HG11 VAL 43 1HG1 VAL 43 71.101 31.532 2.631 344 HG12 VAL 43 2HG1 VAL 43 71.094 33.070 3.496 345 HG13 VAL 43 3HG1 VAL 43 71.189 33.048 1.735 346 HG21 VAL 43 3HG2 VAL 43 72.603 31.358 4.484 347 HG22 VAL 43 1HG2 VAL 43 74.128 30.962 3.692 348 HG23 VAL 43 2HG2 VAL 43 73.980 32.451 4.626 349 H GLU 44 H GLU 44 74.767 33.716 0.220 350 HA GLU 44 HA GLU 44 72.537 34.650 -1.301 351 HB2 GLU 44 1HB GLU 44 74.253 36.213 -0.638 352 HB3 GLU 44 2HB GLU 44 75.488 35.274 -1.466 353 HG2 GLU 44 1HG GLU 44 74.499 35.800 -3.609 354 HG3 GLU 44 2HG GLU 44 73.189 36.672 -2.814 355 H ALA 45 H ALA 45 75.114 32.383 -1.836 356 HA ALA 45 HA ALA 45 74.864 32.294 -4.688 357 HB1 ALA 45 1HB ALA 45 75.985 29.883 -3.642 358 HB2 ALA 45 2HB ALA 45 76.780 31.189 -4.521 359 HB3 ALA 45 3HB ALA 45 76.644 31.263 -2.764 360 H VAL 46 H VAL 46 73.812 30.163 -2.038 361 HA VAL 46 HA VAL 46 72.461 28.319 -3.719 362 HB VAL 46 HB VAL 46 73.123 27.573 -1.550 363 HG11 VAL 46 1HG1 VAL 46 72.219 30.135 -0.722 364 HG12 VAL 46 2HG1 VAL 46 71.351 28.915 0.212 365 HG13 VAL 46 3HG1 VAL 46 73.115 28.932 0.204 366 HG21 VAL 46 3HG2 VAL 46 70.921 26.780 -2.536 367 HG22 VAL 46 1HG2 VAL 46 71.151 26.515 -0.808 368 HG23 VAL 46 2HG2 VAL 46 70.133 27.841 -1.368 369 H GLU 47 H GLU 47 71.528 31.301 -2.152 370 HA GLU 47 HA GLU 47 68.716 30.965 -2.482 371 HB2 GLU 47 1HB GLU 47 70.534 33.177 -1.683 372 HB3 GLU 47 2HB GLU 47 68.938 33.624 -2.271 373 HG2 GLU 47 1HG GLU 47 69.395 33.187 0.279 374 HG3 GLU 47 2HG GLU 47 67.868 32.736 -0.476 375 H HIS 48 H HIS 48 71.194 32.775 -4.274 376 HA HIS 48 HA HIS 48 69.609 33.986 -6.179 377 HB2 HIS 48 1HB HIS 48 72.395 33.431 -5.836 378 HB3 HIS 48 2HB HIS 48 71.954 33.092 -7.507 379 HD1 HIS 48 HD1 HIS 48 73.643 35.587 -6.198 380 HD2 HIS 48 HD2 HIS 48 69.839 35.626 -7.870 381 HE1 HIS 48 HE1 HIS 48 73.246 37.966 -6.912 382 H LEU 49 H LEU 49 70.517 30.643 -5.890 383 HA LEU 49 HA LEU 49 69.284 30.057 -8.494 384 HB2 LEU 49 1HB LEU 49 70.902 28.172 -6.798 385 HB3 LEU 49 2HB LEU 49 70.451 27.987 -8.492 386 HG LEU 49 HG LEU 49 72.171 30.295 -7.727 387 HD11 LEU 49 1HD1 LEU 49 73.614 28.903 -6.711 388 HD12 LEU 49 2HD1 LEU 49 74.033 28.446 -8.361 389 HD13 LEU 49 3HD1 LEU 49 72.901 27.461 -7.435 390 HD21 LEU 49 3HD2 LEU 49 71.597 30.295 -9.983 391 HD22 LEU 49 1HD2 LEU 49 71.747 28.543 -10.121 392 HD23 LEU 49 2HD2 LEU 49 73.192 29.542 -9.967 393 H GLY 50 H GLY 50 68.689 29.992 -5.182 394 HA2 GLY 50 1HA GLY 50 66.960 29.148 -3.931 395 HA3 GLY 50 2HA GLY 50 66.117 28.898 -5.452 396 H THR 51 H THR 51 65.854 26.872 -6.200 397 HA THR 51 HA THR 51 67.061 24.710 -4.612 398 HB THR 51 HB THR 51 64.596 24.773 -4.600 399 HG1 THR 51 HG1 THR 51 66.000 22.733 -4.768 400 HG21 THR 51 3HG2 THR 51 64.843 25.453 -7.267 401 HG22 THR 51 1HG2 THR 51 63.346 25.027 -6.440 402 HG23 THR 51 2HG2 THR 51 64.249 23.794 -7.319 403 H GLY 52 H GLY 52 68.491 26.015 -6.744 404 HA2 GLY 52 1HA GLY 52 68.369 24.458 -9.126 405 HA3 GLY 52 2HA GLY 52 69.672 25.543 -8.662 406 H ARG 53 H ARG 53 71.575 24.648 -8.233 407 HA ARG 53 HA ARG 53 71.661 21.892 -7.235 408 HB2 ARG 53 1HB ARG 53 73.017 22.968 -9.692 409 HB3 ARG 53 2HB ARG 53 73.695 21.606 -8.811 410 HG2 ARG 53 1HG ARG 53 70.844 21.352 -9.437 411 HG3 ARG 53 2HG ARG 53 71.911 21.408 -10.841 412 HD2 ARG 53 1HD ARG 53 73.308 19.669 -9.482 413 HD3 ARG 53 2HD ARG 53 71.791 19.413 -8.622 414 HE ARG 53 HE ARG 53 70.993 18.302 -10.451 415 HH11 ARG 53 1HH1 ARG 53 73.752 20.201 -11.401 416 HH12 ARG 53 2HH1 ARG 53 73.815 19.547 -13.004 417 HH21 ARG 53 1HH2 ARG 53 71.065 17.433 -12.559 418 HH22 ARG 53 2HH2 ARG 53 72.286 17.973 -13.662 419 H TRP 54 H TRP 54 73.276 21.473 -5.798 420 HA TRP 54 HA TRP 54 74.408 23.525 -4.331 421 HB2 TRP 54 1HB TRP 54 76.086 21.651 -3.624 422 HB3 TRP 54 2HB TRP 54 74.379 21.486 -3.223 423 HD1 TRP 54 HD1 TRP 54 76.809 20.299 -6.011 424 HE1 TRP 54 HE1 TRP 54 76.060 17.953 -6.762 425 HE3 TRP 54 HE3 TRP 54 72.620 19.819 -3.120 426 HZ2 TRP 54 HZ2 TRP 54 73.970 16.140 -6.204 427 HZ3 TRP 54 HZ3 TRP 54 71.302 17.748 -3.288 428 HH2 TRP 54 HH2 TRP 54 71.964 15.948 -4.799 429 H ARG 55 H ARG 55 75.691 21.809 -7.120 430 HA ARG 55 HA ARG 55 78.322 22.854 -6.969 431 HB2 ARG 55 1HB ARG 55 77.753 20.842 -8.269 432 HB3 ARG 55 2HB ARG 55 76.801 21.827 -9.372 433 HG2 ARG 55 1HG ARG 55 78.800 23.017 -10.070 434 HG3 ARG 55 2HG ARG 55 79.768 22.082 -8.928 435 HD2 ARG 55 1HD ARG 55 79.186 20.027 -10.118 436 HD3 ARG 55 2HD ARG 55 78.208 20.957 -11.252 437 HE ARG 55 HE ARG 55 80.938 21.833 -11.111 438 HH11 ARG 55 1HH1 ARG 55 78.738 19.569 -12.579 439 HH12 ARG 55 2HH1 ARG 55 79.721 19.325 -13.985 440 HH21 ARG 55 1HH2 ARG 55 82.241 21.521 -12.957 441 HH22 ARG 55 2HH2 ARG 55 81.714 20.435 -14.198 442 H ASP 56 H ASP 56 75.323 24.088 -8.201 443 HA ASP 56 HA ASP 56 76.472 26.119 -9.858 444 HB2 ASP 56 1HB ASP 56 74.123 25.118 -10.045 445 HB3 ASP 56 2HB ASP 56 73.691 26.164 -8.696 446 H VAL 57 H VAL 57 75.397 25.908 -6.526 447 HA VAL 57 HA VAL 57 75.531 28.717 -6.009 448 HB VAL 57 HB VAL 57 74.809 28.245 -3.911 449 HG11 VAL 57 1HG1 VAL 57 73.479 26.886 -5.617 450 HG12 VAL 57 2HG1 VAL 57 74.314 25.476 -4.961 451 HG13 VAL 57 3HG1 VAL 57 73.290 26.461 -3.916 452 HG21 VAL 57 3HG2 VAL 57 76.819 27.334 -3.032 453 HG22 VAL 57 1HG2 VAL 57 75.530 26.198 -2.635 454 HG23 VAL 57 2HG2 VAL 57 76.633 25.849 -3.966 455 H LYS 58 H LYS 58 77.751 26.013 -5.708 456 HA LYS 58 HA LYS 58 79.735 27.469 -4.244 457 HB2 LYS 58 1HB LYS 58 81.044 25.532 -4.361 458 HB3 LYS 58 2HB LYS 58 79.395 24.921 -4.339 459 HG2 LYS 58 1HG LYS 58 79.441 24.458 -6.663 460 HG3 LYS 58 2HG LYS 58 80.957 25.338 -6.873 461 HD2 LYS 58 1HD LYS 58 80.967 23.101 -4.933 462 HD3 LYS 58 2HD LYS 58 80.836 22.673 -6.640 463 HE2 LYS 58 1HE LYS 58 82.946 24.529 -5.563 464 HE3 LYS 58 2HE LYS 58 83.178 22.788 -5.704 465 HZ1 LYS 58 3HZ LYS 58 83.083 24.821 -7.782 466 HZ2 LYS 58 1HZ LYS 58 82.340 23.347 -8.151 467 HZ3 LYS 58 2HZ LYS 58 83.973 23.384 -7.712 468 H PHE 59 H PHE 59 79.056 26.852 -7.621 469 HA PHE 59 HA PHE 59 81.580 27.930 -8.522 470 HB2 PHE 59 1HB PHE 59 80.636 26.198 -9.874 471 HB3 PHE 59 2HB PHE 59 79.090 27.034 -9.975 472 HD1 PHE 59 HD2 PHE 59 82.551 26.954 -11.177 473 HD2 PHE 59 HD1 PHE 59 78.749 28.838 -11.518 474 HE1 PHE 59 HE2 PHE 59 83.275 28.030 -13.267 475 HE2 PHE 59 HE1 PHE 59 79.468 29.916 -13.609 476 HZ PHE 59 HZ PHE 59 81.734 29.514 -14.486 477 H ARG 60 H ARG 60 78.344 29.063 -7.958 478 HA ARG 60 HA ARG 60 78.787 31.551 -9.393 479 HB2 ARG 60 1HB ARG 60 76.578 30.661 -9.572 480 HB3 ARG 60 2HB ARG 60 76.449 30.464 -7.829 481 HG2 ARG 60 1HG ARG 60 76.132 32.731 -7.465 482 HG3 ARG 60 2HG ARG 60 76.829 33.177 -9.023 483 HD2 ARG 60 1HD ARG 60 74.280 31.602 -8.788 484 HD3 ARG 60 2HD ARG 60 74.302 33.365 -8.789 485 HE ARG 60 HE ARG 60 75.722 32.270 -11.009 486 HH11 ARG 60 1HH1 ARG 60 72.544 33.030 -9.807 487 HH12 ARG 60 2HH1 ARG 60 71.848 33.208 -11.384 488 HH21 ARG 60 1HH2 ARG 60 74.817 32.501 -13.090 489 HH22 ARG 60 2HH2 ARG 60 73.142 32.906 -13.250 490 H ALA 61 H ALA 61 78.839 30.323 -6.136 491 HA ALA 61 HA ALA 61 78.552 32.609 -4.620 492 HB1 ALA 61 1HB ALA 61 80.106 30.091 -4.251 493 HB2 ALA 61 2HB ALA 61 80.314 31.411 -3.099 494 HB3 ALA 61 3HB ALA 61 78.718 30.702 -3.350 495 H PHE 62 H PHE 62 81.663 31.260 -5.744 496 HA PHE 62 HA PHE 62 82.685 33.838 -6.428 497 HB2 PHE 62 1HB PHE 62 83.085 32.882 -3.731 498 HB3 PHE 62 2HB PHE 62 84.628 33.045 -4.563 499 HD1 PHE 62 HD2 PHE 62 84.352 35.346 -6.226 500 HD2 PHE 62 HD1 PHE 62 82.783 34.670 -2.328 501 HE1 PHE 62 HE2 PHE 62 84.311 37.773 -5.825 502 HE2 PHE 62 HE1 PHE 62 82.739 37.096 -1.921 503 HZ PHE 62 HZ PHE 62 83.504 38.651 -3.670 504 H GLU 63 H GLU 63 83.348 30.459 -5.681 505 HA GLU 63 HA GLU 63 84.599 28.883 -6.743 506 HB2 GLU 63 1HB GLU 63 83.450 29.987 -8.760 507 HB3 GLU 63 2HB GLU 63 84.979 30.814 -9.020 508 HG2 GLU 63 1HG GLU 63 86.117 28.683 -9.258 509 HG3 GLU 63 2HG GLU 63 84.607 27.828 -8.943 510 H ASN 64 H ASN 64 85.757 31.402 -5.321 511 HA ASN 64 HA ASN 64 88.549 30.876 -6.099 512 HB2 ASN 64 1HB ASN 64 87.610 33.188 -6.696 513 HB3 ASN 64 2HB ASN 64 87.606 33.503 -4.963 514 HD21 ASN 64 2HD2 ASN 64 89.483 33.958 -3.940 515 HD22 ASN 64 1HD2 ASN 64 91.009 34.098 -4.737 516 H VAL 65 H VAL 65 86.231 31.388 -3.550 517 HA VAL 65 HA VAL 65 87.800 31.717 -1.320 518 HB VAL 65 HB VAL 65 85.231 31.527 -1.506 519 HG11 VAL 65 1HG1 VAL 65 85.346 29.167 -2.365 520 HG12 VAL 65 2HG1 VAL 65 85.813 28.675 -0.736 521 HG13 VAL 65 3HG1 VAL 65 84.240 29.423 -1.015 522 HG21 VAL 65 3HG2 VAL 65 85.129 31.572 0.763 523 HG22 VAL 65 1HG2 VAL 65 86.139 30.137 0.946 524 HG23 VAL 65 2HG2 VAL 65 86.879 31.697 0.587 525 H HIS 66 H HIS 66 88.323 30.092 0.386 526 HA HIS 66 HA HIS 66 90.129 28.180 -0.582 527 HB2 HIS 66 1HB HIS 66 89.570 29.305 1.877 528 HB3 HIS 66 2HB HIS 66 89.121 27.617 2.106 529 HD1 HIS 66 HD1 HIS 66 92.043 28.960 0.092 530 HD2 HIS 66 HD2 HIS 66 91.275 26.671 3.473 531 HE1 HIS 66 HE1 HIS 66 94.282 28.092 0.839 532 H HIS 67 H HIS 67 89.740 25.876 0.883 533 HA HIS 67 HA HIS 67 88.306 24.245 -0.783 534 HB2 HIS 67 1HB HIS 67 89.843 23.795 1.373 535 HB3 HIS 67 2HB HIS 67 88.263 23.497 2.091 536 HD1 HIS 67 HD1 HIS 67 88.633 20.979 2.335 537 HD2 HIS 67 HD2 HIS 67 89.001 22.342 -1.572 538 HE1 HIS 67 HE1 HIS 67 88.678 18.912 0.904 539 H ARG 68 H ARG 68 86.225 23.966 -1.226 540 HA ARG 68 HA ARG 68 84.203 24.241 0.822 541 HB2 ARG 68 1HB ARG 68 84.645 26.289 -1.263 542 HB3 ARG 68 2HB ARG 68 82.978 25.775 -1.042 543 HG2 ARG 68 1HG ARG 68 84.773 26.808 1.144 544 HG3 ARG 68 2HG ARG 68 83.552 27.755 0.292 545 HD2 ARG 68 1HD ARG 68 81.934 25.874 1.043 546 HD3 ARG 68 2HD ARG 68 83.192 25.493 2.218 547 HE ARG 68 HE ARG 68 81.360 27.661 2.331 548 HH11 ARG 68 1HH1 ARG 68 84.636 26.759 3.090 549 HH12 ARG 68 2HH1 ARG 68 84.792 27.908 4.377 550 HH21 ARG 68 1HH2 ARG 68 81.554 29.178 4.023 551 HH22 ARG 68 2HH2 ARG 68 83.038 29.284 4.907 552 H THR 69 H THR 69 83.153 22.386 0.549 553 HA THR 69 HA THR 69 82.889 21.178 -2.068 554 HB THR 69 HB THR 69 81.536 20.109 0.385 555 HG1 THR 69 HG1 THR 69 84.234 19.494 -0.189 556 HG21 THR 69 3HG2 THR 69 81.263 19.042 -1.861 557 HG22 THR 69 1HG2 THR 69 81.955 17.979 -0.637 558 HG23 THR 69 2HG2 THR 69 82.995 18.713 -1.857 559 H TYR 70 H TYR 70 81.097 21.104 -3.305 560 HA TYR 70 HA TYR 70 79.111 22.980 -3.172 561 HB2 TYR 70 1HB TYR 70 77.754 21.266 -4.567 562 HB3 TYR 70 2HB TYR 70 79.278 21.864 -5.214 563 HD1 TYR 70 HD1 TYR 70 77.601 18.976 -3.663 564 HD2 TYR 70 HD2 TYR 70 81.156 20.403 -5.513 565 HE1 TYR 70 HE1 TYR 70 78.403 16.663 -3.890 566 HE2 TYR 70 HE2 TYR 70 81.969 18.094 -5.747 567 HH TYR 70 HH TYR 70 80.156 15.484 -5.614 568 H VAL 71 H VAL 71 79.043 19.698 -1.841 569 HA VAL 71 HA VAL 71 76.378 19.760 -0.923 570 HB VAL 71 HB VAL 71 77.591 17.660 -1.135 571 HG11 VAL 71 1HG1 VAL 71 79.551 17.162 -0.126 572 HG12 VAL 71 2HG1 VAL 71 79.720 18.918 -0.084 573 HG13 VAL 71 3HG1 VAL 71 79.147 18.052 1.342 574 HG21 VAL 71 3HG2 VAL 71 77.268 17.284 1.648 575 HG22 VAL 71 1HG2 VAL 71 76.063 18.465 1.134 576 HG23 VAL 71 2HG2 VAL 71 76.138 16.884 0.355 577 H ASP 72 H ASP 72 79.426 20.731 0.555 578 HA ASP 72 HA ASP 72 78.468 21.149 3.168 579 HB2 ASP 72 1HB ASP 72 80.900 21.078 2.324 580 HB3 ASP 72 2HB ASP 72 80.671 22.777 1.919 581 H LEU 73 H LEU 73 78.632 23.270 0.348 582 HA LEU 73 HA LEU 73 77.854 25.651 1.615 583 HB2 LEU 73 1HB LEU 73 77.633 24.664 -1.209 584 HB3 LEU 73 2HB LEU 73 77.017 26.245 -0.735 585 HG LEU 73 HG LEU 73 79.576 26.326 0.222 586 HD11 LEU 73 1HD1 LEU 73 80.424 25.526 -2.350 587 HD12 LEU 73 2HD1 LEU 73 79.494 24.194 -1.664 588 HD13 LEU 73 3HD1 LEU 73 80.878 24.847 -0.787 589 HD21 LEU 73 3HD2 LEU 73 78.742 27.144 -2.555 590 HD22 LEU 73 1HD2 LEU 73 79.994 27.872 -1.549 591 HD23 LEU 73 2HD2 LEU 73 78.297 28.024 -1.092 592 H LYS 74 H LYS 74 75.877 23.360 -0.274 593 HA LYS 74 HA LYS 74 73.411 24.595 0.294 594 HB2 LYS 74 1HB LYS 74 73.585 23.098 -1.575 595 HB3 LYS 74 2HB LYS 74 74.091 21.773 -0.535 596 HG2 LYS 74 1HG LYS 74 71.961 21.431 0.292 597 HG3 LYS 74 2HG LYS 74 71.428 23.061 -0.125 598 HD2 LYS 74 1HD LYS 74 72.093 22.011 -2.569 599 HD3 LYS 74 2HD LYS 74 71.423 20.614 -1.725 600 HE2 LYS 74 1HE LYS 74 70.033 23.280 -1.811 601 HE3 LYS 74 2HE LYS 74 69.791 22.044 -3.044 602 HZ1 LYS 74 3HZ LYS 74 68.149 22.082 -1.149 603 HZ2 LYS 74 1HZ LYS 74 69.393 21.496 -0.163 604 HZ3 LYS 74 2HZ LYS 74 68.859 20.584 -1.483 605 H ASP 75 H ASP 75 75.208 22.031 1.912 606 HA ASP 75 HA ASP 75 73.181 21.291 3.738 607 HB2 ASP 75 1HB ASP 75 76.161 20.945 3.657 608 HB3 ASP 75 2HB ASP 75 75.260 20.498 5.104 609 H LYS 76 H LYS 76 75.748 23.703 3.849 610 HA LYS 76 HA LYS 76 75.434 24.415 6.567 611 HB2 LYS 76 1HB LYS 76 77.368 24.969 4.962 612 HB3 LYS 76 2HB LYS 76 76.363 26.304 4.414 613 HG2 LYS 76 1HG LYS 76 77.361 27.475 6.025 614 HG3 LYS 76 2HG LYS 76 76.289 26.609 7.128 615 HD2 LYS 76 1HD LYS 76 78.050 25.676 8.111 616 HD3 LYS 76 2HD LYS 76 78.524 24.942 6.577 617 HE2 LYS 76 1HE LYS 76 79.255 27.723 7.493 618 HE3 LYS 76 2HE LYS 76 80.317 26.317 7.547 619 HZ1 LYS 76 3HZ LYS 76 80.864 27.503 5.604 620 HZ2 LYS 76 1HZ LYS 76 79.245 27.688 5.149 621 HZ3 LYS 76 2HZ LYS 76 79.974 26.163 5.079 622 H TRP 77 H TRP 77 74.047 25.722 3.579 623 HA TRP 77 HA TRP 77 72.681 27.888 4.706 624 HB2 TRP 77 1HB TRP 77 72.857 27.869 2.356 625 HB3 TRP 77 2HB TRP 77 72.210 26.235 2.235 626 HD1 TRP 77 HD1 TRP 77 70.867 29.658 3.517 627 HE1 TRP 77 HE1 TRP 77 68.432 29.892 2.717 628 HE3 TRP 77 HE3 TRP 77 70.371 25.176 1.109 629 HZ2 TRP 77 HZ2 TRP 77 66.550 28.376 1.258 630 HZ3 TRP 77 HZ3 TRP 77 68.221 24.645 0.037 631 HH2 TRP 77 HH2 TRP 77 66.351 26.213 0.112 632 H LYS 78 H LYS 78 71.503 24.607 3.977 633 HA LYS 78 HA LYS 78 68.919 24.966 5.023 634 HB2 LYS 78 1HB LYS 78 69.338 23.109 3.575 635 HB3 LYS 78 2HB LYS 78 70.603 22.492 4.629 636 HG2 LYS 78 1HG LYS 78 69.120 21.593 6.117 637 HG3 LYS 78 2HG LYS 78 67.851 22.756 5.724 638 HD2 LYS 78 1HD LYS 78 67.047 20.804 4.773 639 HD3 LYS 78 2HD LYS 78 67.849 21.583 3.407 640 HE2 LYS 78 1HE LYS 78 69.850 20.209 3.836 641 HE3 LYS 78 2HE LYS 78 68.996 19.404 5.151 642 HZ1 LYS 78 3HZ LYS 78 67.288 19.115 3.090 643 HZ2 LYS 78 1HZ LYS 78 68.415 17.951 3.577 644 HZ3 LYS 78 2HZ LYS 78 68.783 19.004 2.306 645 H THR 79 H THR 79 71.892 23.727 6.503 646 HA THR 79 HA THR 79 70.791 23.019 8.987 647 HB THR 79 HB THR 79 73.608 23.926 8.361 648 HG1 THR 79 HG1 THR 79 72.774 21.257 8.762 649 HG21 THR 79 3HG2 THR 79 73.873 23.909 10.586 650 HG22 THR 79 1HG2 THR 79 73.710 22.157 10.476 651 HG23 THR 79 2HG2 THR 79 72.302 23.152 10.849 652 H LEU 80 H LEU 80 72.488 25.995 8.004 653 HA LEU 80 HA LEU 80 72.271 27.355 10.428 654 HB2 LEU 80 1HB LEU 80 73.174 29.103 9.335 655 HB3 LEU 80 2HB LEU 80 73.449 27.890 8.086 656 HG LEU 80 HG LEU 80 71.115 28.714 7.211 657 HD11 LEU 80 1HD1 LEU 80 71.808 30.667 9.268 658 HD12 LEU 80 2HD1 LEU 80 70.262 30.338 8.487 659 HD13 LEU 80 3HD1 LEU 80 71.443 31.382 7.697 660 HD21 LEU 80 3HD2 LEU 80 73.164 30.746 6.661 661 HD22 LEU 80 1HD2 LEU 80 72.286 29.686 5.558 662 HD23 LEU 80 2HD2 LEU 80 73.686 29.075 6.439 663 H VAL 81 H VAL 81 69.964 26.915 7.840 664 HA VAL 81 HA VAL 81 68.137 28.937 8.618 665 HB VAL 81 HB VAL 81 67.808 26.436 6.973 666 HG11 VAL 81 1HG1 VAL 81 65.606 27.817 6.345 667 HG12 VAL 81 2HG1 VAL 81 65.633 26.573 7.596 668 HG13 VAL 81 3HG1 VAL 81 65.753 28.276 8.041 669 HG21 VAL 81 3HG2 VAL 81 68.955 28.829 6.360 670 HG22 VAL 81 1HG2 VAL 81 68.235 27.727 5.187 671 HG23 VAL 81 2HG2 VAL 81 67.297 29.081 5.816 672 H HIS 82 H HIS 82 68.308 25.458 9.307 673 HA HIS 82 HA HIS 82 65.939 25.295 10.812 674 HB2 HIS 82 1HB HIS 82 66.970 23.283 9.989 675 HB3 HIS 82 2HB HIS 82 68.453 23.618 10.878 676 HD1 HIS 82 HD1 HIS 82 68.457 21.576 12.358 677 HD2 HIS 82 HD2 HIS 82 64.896 23.708 12.556 678 HE1 HIS 82 HE1 HIS 82 67.169 20.558 14.263 679 H THR 83 H THR 83 69.273 26.001 11.738 680 HA THR 83 HA THR 83 68.751 26.066 14.543 681 HB THR 83 HB THR 83 71.052 27.247 12.975 682 HG1 THR 83 HG1 THR 83 71.828 25.281 13.017 683 HG21 THR 83 3HG2 THR 83 70.352 27.311 15.818 684 HG22 THR 83 1HG2 THR 83 71.497 28.299 14.912 685 HG23 THR 83 2HG2 THR 83 71.976 26.705 15.495 686 H ALA 84 H ALA 84 68.584 28.390 11.952 687 HA ALA 84 HA ALA 84 68.379 30.661 13.736 688 HB1 ALA 84 1HB ALA 84 68.182 30.362 10.751 689 HB2 ALA 84 2HB ALA 84 67.879 31.890 11.578 690 HB3 ALA 84 3HB ALA 84 69.463 31.124 11.694 691 H SER 85 H SER 85 66.301 28.266 12.678 692 HA SER 85 HA SER 85 63.933 29.993 12.846 693 HB2 SER 85 1HB SER 85 64.461 28.160 10.968 694 HB3 SER 85 2HB SER 85 63.675 27.111 12.148 695 HG SER 85 HG SER 85 62.045 27.893 10.922 696 H ILE 86 H ILE 86 65.492 27.206 14.304 697 HA ILE 86 HA ILE 86 63.471 26.300 15.974 698 HB ILE 86 HB ILE 86 65.315 25.545 17.503 699 HG12 ILE 86 1HG1 ILE 86 67.113 26.752 15.392 700 HG13 ILE 86 2HG1 ILE 86 66.835 27.466 16.977 701 HG21 ILE 86 1HG2 ILE 86 66.409 24.547 15.064 702 HG22 ILE 86 2HG2 ILE 86 65.325 23.749 16.202 703 HG23 ILE 86 3HG2 ILE 86 64.663 24.719 14.887 704 HD11 ILE 86 3HD1 ILE 86 67.637 25.177 17.872 705 HD12 ILE 86 1HD1 ILE 86 68.319 24.982 16.258 706 HD13 ILE 86 2HD1 ILE 86 68.819 26.338 17.270 707 H ALA 87 H ALA 87 63.783 26.464 18.505 708 HA ALA 87 HA ALA 87 62.829 28.914 19.336 709 HB1 ALA 87 1HB ALA 87 63.561 26.461 20.563 710 HB2 ALA 87 2HB ALA 87 64.237 27.780 21.521 711 HB3 ALA 87 3HB ALA 87 62.506 27.731 21.183 712 HA PRO 88 HA PRO 88 66.198 31.694 19.740 713 HB2 PRO 88 1HB PRO 88 65.614 32.988 22.055 714 HB3 PRO 88 2HB PRO 88 64.704 33.236 20.559 715 HG2 PRO 88 1HG PRO 88 64.033 31.525 22.922 716 HG3 PRO 88 2HG PRO 88 62.979 32.596 21.981 717 HD2 PRO 88 1HD PRO 88 63.023 29.913 21.622 718 HD3 PRO 88 2HD PRO 88 62.699 31.048 20.297 719 H GLN 89 H GLN 89 65.441 30.105 22.842 720 HA GLN 89 HA GLN 89 67.935 30.473 24.046 721 HB2 GLN 89 1HB GLN 89 67.289 28.542 25.489 722 HB3 GLN 89 2HB GLN 89 66.051 29.786 25.368 723 HG2 GLN 89 1HG GLN 89 64.884 28.418 23.683 724 HG3 GLN 89 2HG GLN 89 66.096 27.157 23.905 725 HE21 GLN 89 2HE2 GLN 89 65.191 25.549 24.967 726 HE22 GLN 89 1HE2 GLN 89 64.207 25.690 26.380 727 H GLN 90 H GLN 90 66.939 28.313 21.556 728 HA GLN 90 HA GLN 90 69.165 26.496 21.921 729 HB2 GLN 90 1HB GLN 90 67.117 26.686 19.705 730 HB3 GLN 90 2HB GLN 90 68.299 25.397 19.887 731 HG2 GLN 90 1HG GLN 90 66.208 26.051 21.947 732 HG3 GLN 90 2HG GLN 90 66.001 24.844 20.679 733 HE21 GLN 90 2HE2 GLN 90 67.197 25.483 23.772 734 HE22 GLN 90 1HE2 GLN 90 67.993 23.974 24.045 735 H ARG 91 H ARG 91 68.347 29.278 19.989 736 HA ARG 91 HA ARG 91 70.777 28.950 18.383 737 HB2 ARG 91 1HB ARG 91 69.877 30.718 16.964 738 HB3 ARG 91 2HB ARG 91 68.697 29.431 17.170 739 HG2 ARG 91 1HG ARG 91 67.248 30.750 18.293 740 HG3 ARG 91 2HG ARG 91 68.529 31.680 19.073 741 HD2 ARG 91 1HD ARG 91 67.941 31.924 16.138 742 HD3 ARG 91 2HD ARG 91 67.082 32.881 17.344 743 HE ARG 91 HE ARG 91 69.746 33.292 16.405 744 HH11 ARG 91 1HH1 ARG 91 67.652 33.649 19.163 745 HH12 ARG 91 2HH1 ARG 91 68.560 34.956 19.848 746 HH21 ARG 91 1HH2 ARG 91 70.950 35.012 17.297 747 HH22 ARG 91 2HH2 ARG 91 70.436 35.731 18.785 748 H ARG 92 H ARG 92 71.321 29.499 20.996 749 HA ARG 92 HA ARG 92 71.897 32.377 21.097 750 HB2 ARG 92 1HB ARG 92 70.721 31.013 23.005 751 HB3 ARG 92 2HB ARG 92 72.362 30.520 23.398 752 HG2 ARG 92 1HG ARG 92 71.718 33.416 23.069 753 HG3 ARG 92 2HG ARG 92 71.316 32.580 24.570 754 HD2 ARG 92 1HD ARG 92 73.771 31.765 24.489 755 HD3 ARG 92 2HD ARG 92 74.002 33.089 23.349 756 HE ARG 92 HE ARG 92 72.746 34.222 25.502 757 HH11 ARG 92 1HH1 ARG 92 75.677 32.410 25.002 758 HH12 ARG 92 2HH1 ARG 92 76.526 33.175 26.305 759 HH21 ARG 92 1HH2 ARG 92 73.854 35.236 27.219 760 HH22 ARG 92 2HH2 ARG 92 75.488 34.781 27.565 761 H GLY 93 H GLY 93 73.613 32.036 19.489 762 HA2 GLY 93 1HA GLY 93 76.044 30.873 20.700 763 HA3 GLY 93 2HA GLY 93 75.737 30.926 18.971 764 H ALA 94 H ALA 94 77.438 32.124 18.290 765 HA ALA 94 HA ALA 94 78.464 34.385 19.638 766 HB1 ALA 94 1HB ALA 94 78.993 34.521 16.825 767 HB2 ALA 94 2HB ALA 94 80.093 34.145 18.151 768 HB3 ALA 94 3HB ALA 94 79.160 32.858 17.388 769 HA PRO 95 HA PRO 95 75.860 37.706 18.439 770 HB2 PRO 95 1HB PRO 95 77.639 39.699 17.955 771 HB3 PRO 95 2HB PRO 95 77.279 39.106 19.581 772 HG2 PRO 95 1HG PRO 95 79.585 38.444 17.790 773 HG3 PRO 95 2HG PRO 95 79.581 38.782 19.531 774 HD2 PRO 95 1HD PRO 95 79.697 36.267 18.535 775 HD3 PRO 95 2HD PRO 95 78.892 36.650 20.071 776 H VAL 96 H VAL 96 74.904 37.094 16.511 777 HA VAL 96 HA VAL 96 76.273 37.991 14.058 778 HB VAL 96 HB VAL 96 74.746 36.291 12.896 779 HG11 VAL 96 1HG1 VAL 96 76.904 35.629 12.728 780 HG12 VAL 96 2HG1 VAL 96 77.206 35.793 14.459 781 HG13 VAL 96 3HG1 VAL 96 76.358 34.375 13.841 782 HG21 VAL 96 3HG2 VAL 96 73.546 35.999 15.248 783 HG22 VAL 96 1HG2 VAL 96 73.645 34.684 14.076 784 HG23 VAL 96 2HG2 VAL 96 74.774 34.746 15.430 785 HA PRO 97 HA PRO 97 72.896 40.665 13.212 786 HB2 PRO 97 1HB PRO 97 72.773 40.542 10.503 787 HB3 PRO 97 2HB PRO 97 74.069 41.376 11.369 788 HG2 PRO 97 1HG PRO 97 74.061 38.644 10.147 789 HG3 PRO 97 2HG PRO 97 75.324 39.888 10.098 790 HD2 PRO 97 1HD PRO 97 75.427 37.774 11.787 791 HD3 PRO 97 2HD PRO 97 76.099 39.363 12.204 792 H GLN 98 H GLN 98 70.751 40.450 13.339 793 HA GLN 98 HA GLN 98 69.463 37.964 13.060 794 HB2 GLN 98 1HB GLN 98 68.501 40.781 13.429 795 HB3 GLN 98 2HB GLN 98 67.349 39.486 13.133 796 HG2 GLN 98 1HG GLN 98 67.862 38.406 15.131 797 HG3 GLN 98 2HG GLN 98 69.382 39.279 15.319 798 HE21 GLN 98 2HE2 GLN 98 68.956 41.781 15.298 799 HE22 GLN 98 1HE2 GLN 98 67.734 42.300 16.403 800 H GLU 99 H GLU 99 69.929 40.635 10.859 801 HA GLU 99 HA GLU 99 67.963 40.140 8.971 802 HB2 GLU 99 1HB GLU 99 69.273 41.389 7.434 803 HB3 GLU 99 2HB GLU 99 69.594 42.070 9.023 804 HG2 GLU 99 1HG GLU 99 71.583 40.299 8.925 805 HG3 GLU 99 2HG GLU 99 71.377 40.582 7.197 806 H LEU 100 H LEU 100 71.009 38.495 9.516 807 HA LEU 100 HA LEU 100 71.103 37.039 7.102 808 HB2 LEU 100 1HB LEU 100 72.451 36.982 9.703 809 HB3 LEU 100 2HB LEU 100 72.351 35.414 8.905 810 HG LEU 100 HG LEU 100 74.469 36.569 8.448 811 HD11 LEU 100 1HD1 LEU 100 72.545 35.915 6.273 812 HD12 LEU 100 2HD1 LEU 100 74.029 35.094 6.754 813 HD13 LEU 100 3HD1 LEU 100 74.112 36.605 5.848 814 HD21 LEU 100 3HD2 LEU 100 73.206 38.534 6.654 815 HD22 LEU 100 1HD2 LEU 100 74.641 38.676 7.670 816 HD23 LEU 100 2HD2 LEU 100 73.037 38.854 8.380 817 H LEU 101 H LEU 101 69.624 36.371 10.236 818 HA LEU 101 HA LEU 101 68.800 33.718 9.531 819 HB2 LEU 101 1HB LEU 101 67.888 35.533 11.759 820 HB3 LEU 101 2HB LEU 101 67.487 33.823 11.610 821 HG LEU 101 HG LEU 101 69.209 33.534 13.014 822 HD11 LEU 101 1HD1 LEU 101 70.984 34.229 10.692 823 HD12 LEU 101 2HD1 LEU 101 70.009 32.761 10.737 824 HD13 LEU 101 3HD1 LEU 101 71.251 33.031 11.959 825 HD21 LEU 101 3HD2 LEU 101 70.877 35.168 13.533 826 HD22 LEU 101 1HD2 LEU 101 69.328 35.997 13.387 827 HD23 LEU 101 2HD2 LEU 101 70.504 36.089 12.076 828 H ASP 102 H ASP 102 67.440 36.913 9.279 829 HA ASP 102 HA ASP 102 64.756 36.017 8.771 830 HB2 ASP 102 1HB ASP 102 65.422 38.280 9.733 831 HB3 ASP 102 2HB ASP 102 65.902 38.727 8.098 832 H ARG 103 H ARG 103 67.566 36.865 6.856 833 HA ARG 103 HA ARG 103 66.163 36.902 4.355 834 HB2 ARG 103 1HB ARG 103 68.237 37.328 3.355 835 HB3 ARG 103 2HB ARG 103 68.371 38.083 4.937 836 HG2 ARG 103 1HG ARG 103 70.342 37.006 4.974 837 HG3 ARG 103 2HG ARG 103 69.349 35.649 5.509 838 HD2 ARG 103 1HD ARG 103 70.893 35.012 3.708 839 HD3 ARG 103 2HD ARG 103 69.205 34.821 3.235 840 HE ARG 103 HE ARG 103 69.497 36.446 1.642 841 HH11 ARG 103 1HH1 ARG 103 72.197 36.478 3.840 842 HH12 ARG 103 2HH1 ARG 103 73.130 37.581 2.884 843 HH21 ARG 103 1HH2 ARG 103 70.717 37.898 0.374 844 HH22 ARG 103 2HH2 ARG 103 72.287 38.389 0.913 845 H VAL 104 H VAL 104 67.948 34.528 6.219 846 HA VAL 104 HA VAL 104 68.044 32.573 4.123 847 HB VAL 104 HB VAL 104 68.792 31.016 5.873 848 HG11 VAL 104 1HG1 VAL 104 70.052 33.535 5.201 849 HG12 VAL 104 2HG1 VAL 104 70.603 32.919 6.761 850 HG13 VAL 104 3HG1 VAL 104 70.750 31.920 5.314 851 HG21 VAL 104 3HG2 VAL 104 69.176 31.980 8.175 852 HG22 VAL 104 1HG2 VAL 104 68.108 33.303 7.705 853 HG23 VAL 104 2HG2 VAL 104 67.496 31.650 7.753 854 H LEU 105 H LEU 105 65.989 33.156 6.940 855 HA LEU 105 HA LEU 105 64.440 30.784 6.620 856 HB2 LEU 105 1HB LEU 105 63.959 33.336 8.140 857 HB3 LEU 105 2HB LEU 105 62.854 31.964 8.178 858 HG LEU 105 HG LEU 105 65.734 31.813 9.054 859 HD11 LEU 105 1HD1 LEU 105 65.201 32.763 10.982 860 HD12 LEU 105 2HD1 LEU 105 63.877 31.621 11.210 861 HD13 LEU 105 3HD1 LEU 105 63.599 33.131 10.342 862 HD21 LEU 105 3HD2 LEU 105 63.495 29.981 9.832 863 HD22 LEU 105 1HD2 LEU 105 65.236 29.695 9.867 864 HD23 LEU 105 2HD2 LEU 105 64.381 29.741 8.325 865 H ALA 106 H ALA 106 63.990 34.172 5.694 866 HA ALA 106 HA ALA 106 61.389 33.882 4.637 867 HB1 ALA 106 1HB ALA 106 62.251 36.060 5.206 868 HB2 ALA 106 2HB ALA 106 63.532 35.905 4.004 869 HB3 ALA 106 3HB ALA 106 61.850 36.022 3.489 870 H ALA 107 H ALA 107 64.592 33.785 3.104 871 HA ALA 107 HA ALA 107 63.631 33.378 0.471 872 HB1 ALA 107 1HB ALA 107 65.913 34.206 1.091 873 HB2 ALA 107 2HB ALA 107 66.323 32.549 1.538 874 HB3 ALA 107 3HB ALA 107 65.892 32.932 -0.129 875 H GLN 108 H GLN 108 64.513 31.197 3.088 876 HA GLN 108 HA GLN 108 64.553 28.802 1.622 877 HB2 GLN 108 1HB GLN 108 65.432 29.021 3.916 878 HB3 GLN 108 2HB GLN 108 63.792 29.219 4.519 879 HG2 GLN 108 1HG GLN 108 64.570 26.781 2.973 880 HG3 GLN 108 2HG GLN 108 64.920 26.916 4.696 881 HE21 GLN 108 2HE2 GLN 108 62.970 25.353 2.873 882 HE22 GLN 108 1HE2 GLN 108 61.471 25.470 3.723 883 H ALA 109 H ALA 109 61.929 30.277 3.527 884 HA ALA 109 HA ALA 109 60.000 28.321 2.784 885 HB1 ALA 109 1HB ALA 109 58.586 29.405 4.182 886 HB2 ALA 109 2HB ALA 109 60.094 30.117 4.758 887 HB3 ALA 109 3HB ALA 109 59.078 31.003 3.621 888 H TYR 110 H TYR 110 61.093 31.316 1.390 889 HA TYR 110 HA TYR 110 58.877 31.844 -0.275 890 HB2 TYR 110 1HB TYR 110 61.649 32.791 -0.028 891 HB3 TYR 110 2HB TYR 110 60.999 32.879 -1.661 892 HD1 TYR 110 HD1 TYR 110 59.317 33.394 1.628 893 HD2 TYR 110 HD2 TYR 110 60.557 35.125 -2.056 894 HE1 TYR 110 HE1 TYR 110 58.140 35.473 2.215 895 HE2 TYR 110 HE2 TYR 110 59.385 37.209 -1.478 896 HH TYR 110 HH TYR 110 57.814 38.109 -0.074 897 H TRP 111 H TRP 111 61.861 30.010 -0.797 898 HA TRP 111 HA TRP 111 61.224 29.358 -3.513 899 HB2 TRP 111 1HB TRP 111 63.321 28.415 -1.570 900 HB3 TRP 111 2HB TRP 111 63.125 27.653 -3.146 901 HD1 TRP 111 HD1 TRP 111 65.324 29.991 -1.678 902 HE1 TRP 111 HE1 TRP 111 66.231 31.719 -3.356 903 HE3 TRP 111 HE3 TRP 111 61.921 29.336 -5.436 904 HZ2 TRP 111 HZ2 TRP 111 65.588 32.678 -5.932 905 HZ3 TRP 111 HZ3 TRP 111 62.137 30.698 -7.473 906 HH2 TRP 111 HH2 TRP 111 63.932 32.334 -7.714 907 H SER 112 H SER 112 60.338 28.110 -0.458 908 HA SER 112 HA SER 112 59.972 25.400 -0.999 909 HB2 SER 112 1HB SER 112 59.706 26.718 1.226 910 HB3 SER 112 2HB SER 112 58.035 26.943 0.708 911 HG SER 112 HG SER 112 58.135 24.529 0.401 912 H VAL 113 H VAL 113 58.949 24.646 -2.739 913 HA VAL 113 HA VAL 113 56.317 25.794 -3.410 914 HB VAL 113 HB VAL 113 56.739 24.890 -5.731 915 HG11 VAL 113 1HG1 VAL 113 58.616 26.768 -6.086 916 HG12 VAL 113 2HG1 VAL 113 56.919 27.148 -5.786 917 HG13 VAL 113 3HG1 VAL 113 58.083 27.197 -4.461 918 HG21 VAL 113 3HG2 VAL 113 59.131 24.582 -6.346 919 HG22 VAL 113 1HG2 VAL 113 59.532 24.614 -4.628 920 HG23 VAL 113 2HG2 VAL 113 58.508 23.330 -5.271 921 H ASP 114 H ASP 114 58.244 22.858 -3.137 922 HA ASP 114 HA ASP 114 55.767 21.333 -2.788 923 HB2 ASP 114 1HB ASP 114 56.577 21.073 -5.153 924 HB3 ASP 114 2HB ASP 114 58.049 20.349 -4.510 925 H SER 115 H SER 115 55.989 19.433 -1.534 926 HA SER 115 HA SER 115 58.535 18.717 -0.402 927 HB2 SER 115 1HB SER 115 56.437 20.018 1.351 928 HB3 SER 115 2HB SER 115 57.872 19.185 1.948 929 HG SER 115 HG SER 115 59.130 20.729 0.804 930 H SER 116 H SER 116 58.533 16.668 0.394 931 HA SER 116 HA SER 116 55.928 15.315 0.628 932 HB2 SER 116 1HB SER 116 58.397 14.448 -0.853 933 HB3 SER 116 2HB SER 116 57.252 13.254 -0.241 934 HG SER 116 HG SER 116 55.670 14.781 -1.398 935 H GLY 117 H GLY 117 56.309 13.047 1.695 936 HA2 GLY 117 1HA GLY 117 57.991 13.527 4.075 937 HA3 GLY 117 2HA GLY 117 56.493 12.608 4.087 938 H ARG 118 H ARG 118 58.885 11.625 5.141 939 HA ARG 118 HA ARG 118 59.040 9.115 3.839 940 HB2 ARG 118 1HB ARG 118 60.524 10.802 2.454 941 HB3 ARG 118 2HB ARG 118 61.680 10.512 3.748 942 HG2 ARG 118 1HG ARG 118 61.791 8.197 3.251 943 HG3 ARG 118 2HG ARG 118 60.406 8.301 2.161 944 HD2 ARG 118 1HD ARG 118 62.995 9.771 1.709 945 HD3 ARG 118 2HD ARG 118 62.657 8.173 1.044 946 HE ARG 118 HE ARG 118 60.568 9.917 0.351 947 HH11 ARG 118 1HH1 ARG 118 63.931 9.349 -0.346 948 HH12 ARG 118 2HH1 ARG 118 63.844 10.000 -1.949 949 HH21 ARG 118 1HH2 ARG 118 60.440 10.778 -1.758 950 HH22 ARG 118 2HH2 ARG 118 61.858 10.814 -2.751 951 H ILE 119 H ILE 119 60.787 7.719 4.853 952 HA ILE 119 HA ILE 119 60.711 8.145 7.709 953 HB ILE 119 HB ILE 119 61.836 5.925 7.829 954 HG12 ILE 119 1HG1 ILE 119 61.347 5.598 4.894 955 HG13 ILE 119 2HG1 ILE 119 62.843 6.352 5.433 956 HG21 ILE 119 1HG2 ILE 119 59.906 4.641 7.023 957 HG22 ILE 119 2HG2 ILE 119 59.415 6.091 7.896 958 HG23 ILE 119 3HG2 ILE 119 59.346 6.057 6.134 959 HD11 ILE 119 3HD1 ILE 119 62.023 3.754 6.627 960 HD12 ILE 119 1HD1 ILE 119 62.715 3.782 5.005 961 HD13 ILE 119 2HD1 ILE 119 63.635 4.420 6.368 962 H VAL 120 H VAL 120 62.148 10.178 6.932 963 HA VAL 120 HA VAL 120 64.928 9.714 6.587 964 HB VAL 120 HB VAL 120 65.199 12.111 7.123 965 HG11 VAL 120 1HG1 VAL 120 64.061 10.997 4.913 966 HG12 VAL 120 2HG1 VAL 120 62.872 12.228 5.346 967 HG13 VAL 120 3HG1 VAL 120 64.550 12.686 5.054 968 HG21 VAL 120 3HG2 VAL 120 62.599 13.078 7.195 969 HG22 VAL 120 1HG2 VAL 120 62.588 11.711 8.310 970 HG23 VAL 120 2HG2 VAL 120 63.740 13.027 8.539 971 H THR 121 H THR 121 62.851 9.870 9.351 972 HA THR 121 HA THR 121 65.174 9.931 11.153 973 HB THR 121 HB THR 121 62.368 10.100 12.171 974 HG1 THR 121 HG1 THR 121 62.049 11.928 11.171 975 HG21 THR 121 3HG2 THR 121 64.861 10.220 13.336 976 HG22 THR 121 1HG2 THR 121 63.358 10.790 14.060 977 HG23 THR 121 2HG2 THR 121 64.405 11.918 13.198 978 H LEU 122 H LEU 122 64.797 7.569 9.789 979 HA LEU 122 HA LEU 122 64.626 5.322 10.088 980 HB2 LEU 122 1HB LEU 122 65.838 6.198 12.261 981 HB3 LEU 122 2HB LEU 122 64.346 5.663 13.032 982 HG LEU 122 HG LEU 122 64.795 3.405 11.906 983 HD11 LEU 122 1HD1 LEU 122 66.520 3.319 10.512 984 HD12 LEU 122 2HD1 LEU 122 67.577 3.495 11.912 985 HD13 LEU 122 3HD1 LEU 122 67.076 4.920 11.001 986 HD21 LEU 122 3HD2 LEU 122 66.209 2.691 13.731 987 HD22 LEU 122 1HD2 LEU 122 65.033 3.867 14.317 988 HD23 LEU 122 2HD2 LEU 122 66.704 4.356 14.038 Start of MODEL 19 1 H1 GLY 1 H GLY 1 130.350 63.982 47.381 2 HA2 GLY 1 1HA GLY 1 130.865 64.472 44.515 3 HA3 GLY 1 2HA GLY 1 131.178 62.903 45.242 4 H SER 2 H SER 2 128.794 65.043 43.968 5 HA SER 2 HA SER 2 126.897 62.870 43.798 6 HB2 SER 2 1HB SER 2 125.054 64.216 44.844 7 HB3 SER 2 2HB SER 2 126.294 63.692 45.983 8 HG SER 2 HG SER 2 126.264 66.240 44.739 9 HA PRO 3 HA PRO 3 126.961 65.910 40.268 10 HB2 PRO 3 1HB PRO 3 127.325 64.034 38.339 11 HB3 PRO 3 2HB PRO 3 128.666 64.793 39.207 12 HG2 PRO 3 1HG PRO 3 127.379 62.128 39.663 13 HG3 PRO 3 2HG PRO 3 129.100 62.554 39.665 14 HD2 PRO 3 1HD PRO 3 127.675 62.239 41.946 15 HD3 PRO 3 2HD PRO 3 129.020 63.390 41.811 16 H PHE 4 H PHE 4 125.703 65.441 38.050 17 HA PHE 4 HA PHE 4 123.185 64.064 38.683 18 HB2 PHE 4 1HB PHE 4 121.936 65.924 37.620 19 HB3 PHE 4 2HB PHE 4 122.791 66.428 39.074 20 HD1 PHE 4 HD1 PHE 4 124.888 67.743 38.872 21 HD2 PHE 4 HD2 PHE 4 122.418 66.878 35.516 22 HE1 PHE 4 HE1 PHE 4 125.987 69.543 37.603 23 HE2 PHE 4 HE2 PHE 4 123.513 68.676 34.242 24 HZ PHE 4 HZ PHE 4 125.300 70.011 35.285 25 H ALA 5 H ALA 5 121.776 63.987 36.597 26 HA ALA 5 HA ALA 5 123.221 63.876 34.114 27 HB1 ALA 5 1HB ALA 5 124.032 61.803 34.649 28 HB2 ALA 5 2HB ALA 5 122.641 61.395 35.654 29 HB3 ALA 5 3HB ALA 5 122.501 61.356 33.896 30 H ASP 6 H ASP 6 121.868 64.185 32.447 31 HA ASP 6 HA ASP 6 118.981 63.935 32.979 32 HB2 ASP 6 1HB ASP 6 120.459 65.809 31.122 33 HB3 ASP 6 2HB ASP 6 118.705 65.667 31.198 34 HA PRO 7 HA PRO 7 119.622 60.688 29.866 35 HB2 PRO 7 1HB PRO 7 117.366 59.329 30.523 36 HB3 PRO 7 2HB PRO 7 118.883 59.159 31.414 37 HG2 PRO 7 1HG PRO 7 116.470 60.802 32.078 38 HG3 PRO 7 2HG PRO 7 117.466 59.794 33.144 39 HD2 PRO 7 1HD PRO 7 117.726 62.486 33.023 40 HD3 PRO 7 2HD PRO 7 119.097 61.408 33.355 41 H ASN 8 H ASN 8 119.244 62.036 28.077 42 HA ASN 8 HA ASN 8 116.465 62.676 27.427 43 HB2 ASN 8 1HB ASN 8 117.877 64.550 27.118 44 HB3 ASN 8 2HB ASN 8 119.111 63.588 26.310 45 HD21 ASN 8 2HD2 ASN 8 116.403 65.557 25.926 46 HD22 ASN 8 1HD2 ASN 8 116.180 65.344 24.226 47 H SER 9 H SER 9 115.479 62.022 25.504 48 HA SER 9 HA SER 9 116.718 60.473 23.505 49 HB2 SER 9 1HB SER 9 115.586 58.281 24.046 50 HB3 SER 9 2HB SER 9 116.916 58.713 25.120 51 HG SER 9 HG SER 9 114.285 59.447 25.780 52 H LEU 10 H LEU 10 115.386 60.193 21.762 53 HA LEU 10 HA LEU 10 112.541 60.847 22.119 54 HB2 LEU 10 1HB LEU 10 114.161 61.788 19.771 55 HB3 LEU 10 2HB LEU 10 112.533 62.275 20.236 56 HG LEU 10 HG LEU 10 113.812 63.162 22.384 57 HD11 LEU 10 1HD1 LEU 10 115.924 62.558 20.467 58 HD12 LEU 10 2HD1 LEU 10 116.020 62.895 22.195 59 HD13 LEU 10 3HD1 LEU 10 115.949 64.226 21.040 60 HD21 LEU 10 3HD2 LEU 10 113.879 65.348 21.341 61 HD22 LEU 10 1HD2 LEU 10 112.435 64.477 20.824 62 HD23 LEU 10 2HD2 LEU 10 113.819 64.613 19.738 63 H ALA 11 H ALA 11 111.120 59.674 20.920 64 HA ALA 11 HA ALA 11 111.878 58.179 18.609 65 HB1 ALA 11 1HB ALA 11 112.767 56.445 19.732 66 HB2 ALA 11 2HB ALA 11 111.958 56.869 21.241 67 HB3 ALA 11 3HB ALA 11 111.080 55.995 19.985 68 H LEU 12 H LEU 12 110.121 57.619 17.417 69 HA LEU 12 HA LEU 12 107.519 57.276 18.577 70 HB2 LEU 12 1HB LEU 12 107.987 59.811 18.397 71 HB3 LEU 12 2HB LEU 12 107.767 59.569 16.665 72 HG LEU 12 HG LEU 12 105.654 58.725 18.619 73 HD11 LEU 12 1HD1 LEU 12 104.626 61.011 17.916 74 HD12 LEU 12 2HD1 LEU 12 106.308 61.478 17.667 75 HD13 LEU 12 3HD1 LEU 12 105.770 60.935 19.256 76 HD21 LEU 12 3HD2 LEU 12 104.523 59.703 16.298 77 HD22 LEU 12 1HD2 LEU 12 104.780 58.005 16.699 78 HD23 LEU 12 2HD2 LEU 12 105.975 58.874 15.735 79 H ALA 13 H ALA 13 107.025 55.477 17.491 80 HA ALA 13 HA ALA 13 106.435 55.585 14.715 81 HB1 ALA 13 1HB ALA 13 108.732 55.350 14.279 82 HB2 ALA 13 2HB ALA 13 108.937 54.147 15.553 83 HB3 ALA 13 3HB ALA 13 108.058 53.732 14.081 84 H ASN 14 H ASN 14 104.559 54.536 14.798 85 HA ASN 14 HA ASN 14 104.452 51.978 16.258 86 HB2 ASN 14 1HB ASN 14 102.414 54.168 15.967 87 HB3 ASN 14 2HB ASN 14 101.909 52.515 16.309 88 HD21 ASN 14 2HD2 ASN 14 103.861 55.192 17.470 89 HD22 ASN 14 1HD2 ASN 14 103.825 54.738 19.137 90 H VAL 15 H VAL 15 104.001 50.222 15.099 91 HA VAL 15 HA VAL 15 102.945 50.594 12.372 92 HB VAL 15 HB VAL 15 104.013 48.330 11.926 93 HG11 VAL 15 1HG1 VAL 15 105.926 50.554 12.617 94 HG12 VAL 15 2HG1 VAL 15 106.143 49.291 11.404 95 HG13 VAL 15 3HG1 VAL 15 104.912 50.533 11.174 96 HG21 VAL 15 3HG2 VAL 15 105.698 47.516 13.372 97 HG22 VAL 15 1HG2 VAL 15 105.654 48.974 14.364 98 HG23 VAL 15 2HG2 VAL 15 104.299 47.844 14.394 99 HA PRO 16 HA PRO 16 99.435 48.135 13.326 100 HB2 PRO 16 1HB PRO 16 99.012 46.877 10.957 101 HB3 PRO 16 2HB PRO 16 98.684 48.596 11.204 102 HG2 PRO 16 1HG PRO 16 101.057 47.284 9.937 103 HG3 PRO 16 2HG PRO 16 100.158 48.718 9.410 104 HD2 PRO 16 1HD PRO 16 102.517 48.881 10.729 105 HD3 PRO 16 2HD PRO 16 101.238 50.100 10.905 106 H LEU 17 H LEU 17 98.579 45.821 13.099 107 HA LEU 17 HA LEU 17 100.380 43.673 12.710 108 HB2 LEU 17 1HB LEU 17 100.472 42.923 15.089 109 HB3 LEU 17 2HB LEU 17 101.432 44.356 14.723 110 HG LEU 17 HG LEU 17 99.316 45.623 15.617 111 HD11 LEU 17 1HD1 LEU 17 98.911 43.613 17.616 112 HD12 LEU 17 2HD1 LEU 17 98.536 42.958 16.022 113 HD13 LEU 17 3HD1 LEU 17 97.728 44.420 16.587 114 HD21 LEU 17 3HD2 LEU 17 100.384 45.850 17.690 115 HD22 LEU 17 1HD2 LEU 17 101.682 45.457 16.562 116 HD23 LEU 17 2HD2 LEU 17 101.037 44.212 17.633 117 H SER 18 H SER 18 99.304 41.762 12.564 118 HA SER 18 HA SER 18 96.860 41.195 13.886 119 HB2 SER 18 1HB SER 18 96.296 42.916 11.977 120 HB3 SER 18 2HB SER 18 96.435 41.500 10.935 121 HG SER 18 HG SER 18 94.331 41.581 11.567 122 H ARG 19 H ARG 19 95.744 39.240 12.665 123 HA ARG 19 HA ARG 19 97.313 37.579 11.019 124 HB2 ARG 19 1HB ARG 19 98.580 37.555 13.267 125 HB3 ARG 19 2HB ARG 19 97.241 36.578 13.854 126 HG2 ARG 19 1HG ARG 19 97.702 35.015 11.923 127 HG3 ARG 19 2HG ARG 19 99.197 35.919 11.674 128 HD2 ARG 19 1HD ARG 19 98.415 34.589 14.264 129 HD3 ARG 19 2HD ARG 19 99.474 33.867 13.053 130 HE ARG 19 HE ARG 19 100.640 36.260 13.580 131 HH11 ARG 19 1HH1 ARG 19 99.593 33.591 15.554 132 HH12 ARG 19 2HH1 ARG 19 100.802 33.846 16.769 133 HH21 ARG 19 1HH2 ARG 19 102.236 36.606 15.172 134 HH22 ARG 19 2HH2 ARG 19 102.305 35.561 16.551 135 H SER 20 H SER 20 95.908 36.299 10.024 136 HA SER 20 HA SER 20 93.431 35.570 11.446 137 HB2 SER 20 1HB SER 20 93.393 37.125 9.335 138 HB3 SER 20 2HB SER 20 93.614 35.614 8.452 139 HG SER 20 HG SER 20 91.522 36.207 10.279 140 H LYS 21 H LYS 21 95.799 34.044 11.657 141 HA LYS 21 HA LYS 21 96.131 31.943 9.906 142 HB2 LYS 21 1HB LYS 21 97.129 30.723 11.721 143 HB3 LYS 21 2HB LYS 21 97.545 32.422 11.906 144 HG2 LYS 21 1HG LYS 21 95.183 31.285 13.340 145 HG3 LYS 21 2HG LYS 21 96.815 31.058 13.975 146 HD2 LYS 21 1HD LYS 21 96.546 33.045 14.963 147 HD3 LYS 21 2HD LYS 21 96.746 33.743 13.354 148 HE2 LYS 21 1HE LYS 21 94.627 34.425 13.309 149 HE3 LYS 21 2HE LYS 21 94.039 32.826 13.761 150 HZ1 LYS 21 3HZ LYS 21 93.542 33.636 15.744 151 HZ2 LYS 21 1HZ LYS 21 94.178 35.150 15.335 152 HZ3 LYS 21 2HZ LYS 21 95.175 33.973 16.030 153 H ARG 22 H ARG 22 95.510 29.632 10.240 154 HA ARG 22 HA ARG 22 93.033 29.090 11.599 155 HB2 ARG 22 1HB ARG 22 92.572 30.201 9.248 156 HB3 ARG 22 2HB ARG 22 92.918 28.581 8.658 157 HG2 ARG 22 1HG ARG 22 90.957 28.927 10.873 158 HG3 ARG 22 2HG ARG 22 90.474 29.308 9.219 159 HD2 ARG 22 1HD ARG 22 91.647 26.684 10.132 160 HD3 ARG 22 2HD ARG 22 89.933 26.990 9.857 161 HE ARG 22 HE ARG 22 91.582 27.574 7.580 162 HH11 ARG 22 1HH1 ARG 22 89.848 25.087 9.291 163 HH12 ARG 22 2HH1 ARG 22 89.652 24.081 7.894 164 HH21 ARG 22 1HH2 ARG 22 91.330 26.259 5.733 165 HH22 ARG 22 2HH2 ARG 22 90.496 24.748 5.871 166 HA PRO 23 HA PRO 23 96.005 25.545 10.971 167 HB2 PRO 23 1HB PRO 23 96.238 24.940 13.607 168 HB3 PRO 23 2HB PRO 23 97.268 26.128 12.800 169 HG2 PRO 23 1HG PRO 23 94.842 26.568 14.498 170 HG3 PRO 23 2HG PRO 23 96.382 27.447 14.497 171 HD2 PRO 23 1HD PRO 23 94.162 28.394 13.269 172 HD3 PRO 23 2HD PRO 23 95.800 28.717 12.664 173 H ASP 24 H ASP 24 93.032 26.036 12.723 174 HA ASP 24 HA ASP 24 92.389 23.418 13.422 175 HB2 ASP 24 1HB ASP 24 90.664 25.777 12.682 176 HB3 ASP 24 2HB ASP 24 89.978 24.237 13.192 177 H PHE 25 H PHE 25 90.803 21.975 12.424 178 HA PHE 25 HA PHE 25 90.658 22.175 9.503 179 HB2 PHE 25 1HB PHE 25 91.938 20.010 11.104 180 HB3 PHE 25 2HB PHE 25 91.043 19.549 9.659 181 HD1 PHE 25 HD1 PHE 25 93.917 21.451 10.935 182 HD2 PHE 25 HD2 PHE 25 91.881 20.023 7.480 183 HE1 PHE 25 HE1 PHE 25 95.871 22.020 9.552 184 HE2 PHE 25 HE2 PHE 25 93.832 20.589 6.092 185 HZ PHE 25 HZ PHE 25 95.831 21.588 7.128 186 H GLY 26 H GLY 26 89.097 20.565 8.577 187 HA2 GLY 26 1HA GLY 26 87.223 19.168 10.101 188 HA3 GLY 26 2HA GLY 26 86.601 20.798 9.884 189 H GLN 27 H GLN 27 87.011 17.721 8.481 190 HA GLN 27 HA GLN 27 85.926 18.725 5.932 191 HB2 GLN 27 1HB GLN 27 86.931 16.616 4.939 192 HB3 GLN 27 2HB GLN 27 88.071 17.861 5.434 193 HG2 GLN 27 1HG GLN 27 88.827 16.641 7.240 194 HG3 GLN 27 2HG GLN 27 87.370 15.652 7.313 195 HE21 GLN 27 2HE2 GLN 27 89.436 14.179 7.498 196 HE22 GLN 27 1HE2 GLN 27 89.888 13.412 6.018 197 H ARG 28 H ARG 28 84.309 18.112 8.154 198 HA ARG 28 HA ARG 28 82.885 15.748 7.129 199 HB2 ARG 28 1HB ARG 28 83.611 16.454 9.942 200 HB3 ARG 28 2HB ARG 28 82.102 15.602 9.643 201 HG2 ARG 28 1HG ARG 28 83.460 13.892 8.378 202 HG3 ARG 28 2HG ARG 28 84.895 14.686 9.031 203 HD2 ARG 28 1HD ARG 28 84.482 12.951 10.534 204 HD3 ARG 28 2HD ARG 28 83.788 14.368 11.321 205 HE ARG 28 HE ARG 28 81.816 13.066 9.783 206 HH11 ARG 28 1HH1 ARG 28 83.662 12.693 12.711 207 HH12 ARG 28 2HH1 ARG 28 82.453 11.741 13.507 208 HH21 ARG 28 1HH2 ARG 28 80.217 11.813 10.820 209 HH22 ARG 28 2HH2 ARG 28 80.494 11.240 12.430 210 H ARG 29 H ARG 29 80.550 15.742 8.043 211 HA ARG 29 HA ARG 29 79.388 18.298 7.324 212 HB2 ARG 29 1HB ARG 29 78.463 16.210 6.402 213 HB3 ARG 29 2HB ARG 29 78.064 15.672 8.028 214 HG2 ARG 29 1HG ARG 29 76.343 17.205 8.254 215 HG3 ARG 29 2HG ARG 29 76.976 18.251 6.982 216 HD2 ARG 29 1HD ARG 29 75.810 17.182 5.415 217 HD3 ARG 29 2HD ARG 29 76.386 15.611 5.971 218 HE ARG 29 HE ARG 29 73.853 16.809 6.529 219 HH11 ARG 29 1HH1 ARG 29 76.285 14.652 7.776 220 HH12 ARG 29 2HH1 ARG 29 75.178 13.771 8.775 221 HH21 ARG 29 1HH2 ARG 29 72.385 15.656 7.841 222 HH22 ARG 29 2HH2 ARG 29 72.959 14.342 8.811 223 H ILE 30 H ILE 30 80.406 19.208 9.367 224 HA ILE 30 HA ILE 30 78.464 18.970 11.569 225 HB ILE 30 HB ILE 30 81.407 19.504 11.961 226 HG12 ILE 30 1HG1 ILE 30 81.038 17.219 11.091 227 HG13 ILE 30 2HG1 ILE 30 81.604 17.207 12.758 228 HG21 ILE 30 1HG2 ILE 30 80.144 20.413 13.745 229 HG22 ILE 30 2HG2 ILE 30 79.110 18.988 13.833 230 HG23 ILE 30 3HG2 ILE 30 80.799 18.884 14.331 231 HD11 ILE 30 3HD1 ILE 30 79.722 15.610 12.101 232 HD12 ILE 30 1HD1 ILE 30 79.533 16.551 13.581 233 HD13 ILE 30 2HD1 ILE 30 78.689 17.039 12.111 234 H ARG 31 H ARG 31 78.042 20.867 12.754 235 HA ARG 31 HA ARG 31 78.074 23.253 11.221 236 HB2 ARG 31 1HB ARG 31 76.515 22.380 13.219 237 HB3 ARG 31 2HB ARG 31 77.600 23.405 14.149 238 HG2 ARG 31 1HG ARG 31 77.028 25.130 12.226 239 HG3 ARG 31 2HG ARG 31 75.574 24.135 12.114 240 HD2 ARG 31 1HD ARG 31 76.601 25.677 14.483 241 HD3 ARG 31 2HD ARG 31 75.072 25.883 13.628 242 HE ARG 31 HE ARG 31 75.613 24.059 15.747 243 HH11 ARG 31 1HH1 ARG 31 73.758 24.478 12.830 244 HH12 ARG 31 2HH1 ARG 31 72.497 23.396 13.321 245 HH21 ARG 31 1HH2 ARG 31 73.959 22.633 16.405 246 HH22 ARG 31 2HH2 ARG 31 72.612 22.347 15.355 247 H ARG 32 H ARG 32 80.176 23.858 10.768 248 HA ARG 32 HA ARG 32 82.021 24.319 12.977 249 HB2 ARG 32 1HB ARG 32 82.251 24.148 10.015 250 HB3 ARG 32 2HB ARG 32 83.422 25.149 10.861 251 HG2 ARG 32 1HG ARG 32 84.220 23.310 12.122 252 HG3 ARG 32 2HG ARG 32 82.879 22.288 11.600 253 HD2 ARG 32 1HD ARG 32 84.884 21.692 10.388 254 HD3 ARG 32 2HD ARG 32 83.715 22.419 9.287 255 HE ARG 32 HE ARG 32 85.233 24.063 8.865 256 HH11 ARG 32 1HH1 ARG 32 86.021 22.589 11.919 257 HH12 ARG 32 2HH1 ARG 32 87.478 23.502 12.132 258 HH21 ARG 32 1HH2 ARG 32 87.149 25.270 9.133 259 HH22 ARG 32 2HH2 ARG 32 88.118 25.028 10.547 260 HA PRO 33 HA PRO 33 81.466 28.659 13.291 261 HB2 PRO 33 1HB PRO 33 84.010 29.555 13.606 262 HB3 PRO 33 2HB PRO 33 83.142 28.665 14.862 263 HG2 PRO 33 1HG PRO 33 85.170 27.674 12.896 264 HG3 PRO 33 2HG PRO 33 85.016 27.308 14.624 265 HD2 PRO 33 1HD PRO 33 84.149 25.618 12.694 266 HD3 PRO 33 2HD PRO 33 83.351 25.752 14.275 267 H PHE 34 H PHE 34 80.883 29.968 11.686 268 HA PHE 34 HA PHE 34 82.736 30.337 9.424 269 HB2 PHE 34 1HB PHE 34 80.487 31.079 8.268 270 HB3 PHE 34 2HB PHE 34 80.909 29.375 8.393 271 HD1 PHE 34 HD1 PHE 34 79.357 31.857 10.711 272 HD2 PHE 34 HD2 PHE 34 79.068 28.074 8.782 273 HE1 PHE 34 HE1 PHE 34 77.237 31.425 11.883 274 HE2 PHE 34 HE2 PHE 34 76.948 27.636 9.951 275 HZ PHE 34 HZ PHE 34 76.029 29.312 11.503 276 H THR 35 H THR 35 82.532 32.465 8.326 277 HA THR 35 HA THR 35 82.277 34.581 10.342 278 HB THR 35 HB THR 35 83.509 34.977 7.631 279 HG1 THR 35 HG1 THR 35 85.512 34.350 8.601 280 HG21 THR 35 3HG2 THR 35 83.928 36.228 10.346 281 HG22 THR 35 1HG2 THR 35 83.158 36.970 8.944 282 HG23 THR 35 2HG2 THR 35 84.884 36.607 8.914 283 H VAL 36 H VAL 36 81.230 36.561 9.836 284 HA VAL 36 HA VAL 36 78.725 36.373 8.704 285 HB VAL 36 HB VAL 36 79.301 38.214 10.165 286 HG11 VAL 36 1HG1 VAL 36 80.958 39.359 7.926 287 HG12 VAL 36 2HG1 VAL 36 80.779 39.985 9.566 288 HG13 VAL 36 3HG1 VAL 36 81.636 38.468 9.288 289 HG21 VAL 36 3HG2 VAL 36 78.743 39.750 7.713 290 HG22 VAL 36 1HG2 VAL 36 77.668 38.387 8.026 291 HG23 VAL 36 2HG2 VAL 36 77.846 39.664 9.229 292 H ALA 37 H ALA 37 81.761 37.319 7.179 293 HA ALA 37 HA ALA 37 80.607 38.116 4.703 294 HB1 ALA 37 1HB ALA 37 83.436 37.230 5.258 295 HB2 ALA 37 2HB ALA 37 82.874 38.147 3.859 296 HB3 ALA 37 3HB ALA 37 82.825 38.871 5.466 297 H GLU 38 H GLU 38 82.277 35.152 5.754 298 HA GLU 38 HA GLU 38 82.096 33.765 3.333 299 HB2 GLU 38 1HB GLU 38 82.496 33.002 6.181 300 HB3 GLU 38 2HB GLU 38 82.056 31.725 5.055 301 HG2 GLU 38 1HG GLU 38 84.516 32.060 5.446 302 HG3 GLU 38 2HG GLU 38 83.994 32.053 3.762 303 H VAL 39 H VAL 39 79.864 33.915 6.076 304 HA VAL 39 HA VAL 39 78.018 32.017 5.061 305 HB VAL 39 HB VAL 39 77.559 34.256 7.038 306 HG11 VAL 39 1HG1 VAL 39 75.475 33.430 6.053 307 HG12 VAL 39 2HG1 VAL 39 75.919 31.781 6.498 308 HG13 VAL 39 3HG1 VAL 39 75.609 32.982 7.753 309 HG21 VAL 39 3HG2 VAL 39 77.593 31.860 8.403 310 HG22 VAL 39 1HG2 VAL 39 78.893 31.679 7.225 311 HG23 VAL 39 2HG2 VAL 39 78.902 33.041 8.345 312 H GLU 40 H GLU 40 78.310 35.517 4.770 313 HA GLU 40 HA GLU 40 75.813 36.066 3.639 314 HB2 GLU 40 1HB GLU 40 78.476 37.410 3.610 315 HB3 GLU 40 2HB GLU 40 77.250 37.968 2.480 316 HG2 GLU 40 1HG GLU 40 75.833 38.685 4.169 317 HG3 GLU 40 2HG GLU 40 76.621 37.684 5.387 318 H LEU 41 H LEU 41 78.922 35.436 2.018 319 HA LEU 41 HA LEU 41 77.863 35.484 -0.602 320 HB2 LEU 41 1HB LEU 41 80.306 33.964 0.270 321 HB3 LEU 41 2HB LEU 41 79.964 34.650 -1.317 322 HG LEU 41 HG LEU 41 80.314 36.396 1.100 323 HD11 LEU 41 1HD1 LEU 41 82.686 36.606 -0.164 324 HD12 LEU 41 2HD1 LEU 41 82.355 34.890 -0.391 325 HD13 LEU 41 3HD1 LEU 41 82.402 35.570 1.235 326 HD21 LEU 41 3HD2 LEU 41 81.259 37.773 -0.992 327 HD22 LEU 41 1HD2 LEU 41 79.562 37.790 -0.515 328 HD23 LEU 41 2HD2 LEU 41 80.098 36.741 -1.827 329 H LEU 42 H LEU 42 78.347 32.907 1.748 330 HA LEU 42 HA LEU 42 77.837 30.725 0.051 331 HB2 LEU 42 1HB LEU 42 78.823 30.593 2.325 332 HB3 LEU 42 2HB LEU 42 77.231 30.945 2.995 333 HG LEU 42 HG LEU 42 77.666 28.559 1.231 334 HD11 LEU 42 1HD1 LEU 42 77.861 27.311 3.463 335 HD12 LEU 42 2HD1 LEU 42 78.346 28.868 4.133 336 HD13 LEU 42 3HD1 LEU 42 79.294 28.131 2.842 337 HD21 LEU 42 3HD2 LEU 42 75.839 27.852 3.054 338 HD22 LEU 42 1HD2 LEU 42 75.428 28.671 1.548 339 HD23 LEU 42 2HD2 LEU 42 75.572 29.596 3.042 340 H VAL 43 H VAL 43 75.625 32.051 2.518 341 HA VAL 43 HA VAL 43 73.329 30.760 1.666 342 HB VAL 43 HB VAL 43 72.055 32.377 2.903 343 HG11 VAL 43 1HG1 VAL 43 72.835 31.465 4.768 344 HG12 VAL 43 2HG1 VAL 43 74.338 31.053 3.940 345 HG13 VAL 43 3HG1 VAL 43 74.184 32.602 4.771 346 HG21 VAL 43 3HG2 VAL 43 73.301 34.406 3.847 347 HG22 VAL 43 1HG2 VAL 43 74.485 34.107 2.574 348 HG23 VAL 43 2HG2 VAL 43 72.810 34.464 2.154 349 H GLU 44 H GLU 44 74.721 33.808 0.561 350 HA GLU 44 HA GLU 44 72.565 34.656 -1.031 351 HB2 GLU 44 1HB GLU 44 74.381 36.159 -0.416 352 HB3 GLU 44 2HB GLU 44 75.524 35.191 -1.337 353 HG2 GLU 44 1HG GLU 44 74.194 35.723 -3.385 354 HG3 GLU 44 2HG GLU 44 73.256 36.848 -2.405 355 H ALA 45 H ALA 45 75.183 32.411 -1.622 356 HA ALA 45 HA ALA 45 74.877 32.228 -4.434 357 HB1 ALA 45 1HB ALA 45 76.352 30.393 -4.340 358 HB2 ALA 45 2HB ALA 45 76.868 31.483 -3.052 359 HB3 ALA 45 3HB ALA 45 75.932 30.040 -2.664 360 H VAL 46 H VAL 46 73.719 30.155 -1.778 361 HA VAL 46 HA VAL 46 72.188 28.481 -3.528 362 HB VAL 46 HB VAL 46 72.902 27.397 -1.579 363 HG11 VAL 46 1HG1 VAL 46 73.549 29.130 -0.147 364 HG12 VAL 46 2HG1 VAL 46 71.934 29.841 -0.130 365 HG13 VAL 46 3HG1 VAL 46 72.239 28.323 0.714 366 HG21 VAL 46 3HG2 VAL 46 70.153 28.018 -0.624 367 HG22 VAL 46 1HG2 VAL 46 70.344 27.309 -2.228 368 HG23 VAL 46 2HG2 VAL 46 70.961 26.461 -0.810 369 H GLU 47 H GLU 47 71.587 31.369 -1.677 370 HA GLU 47 HA GLU 47 68.746 31.208 -1.692 371 HB2 GLU 47 1HB GLU 47 69.685 32.614 -0.047 372 HB3 GLU 47 2HB GLU 47 70.699 33.446 -1.218 373 HG2 GLU 47 1HG GLU 47 69.121 34.940 -1.679 374 HG3 GLU 47 2HG GLU 47 67.872 33.704 -1.817 375 H HIS 48 H HIS 48 71.144 32.617 -3.845 376 HA HIS 48 HA HIS 48 69.282 34.015 -5.484 377 HB2 HIS 48 1HB HIS 48 71.843 34.359 -5.251 378 HB3 HIS 48 2HB HIS 48 71.968 33.069 -6.443 379 HD1 HIS 48 HD1 HIS 48 69.758 36.170 -6.248 380 HD2 HIS 48 HD2 HIS 48 72.357 34.229 -8.843 381 HE1 HIS 48 HE1 HIS 48 69.750 37.540 -8.358 382 H LEU 49 H LEU 49 70.852 30.852 -5.689 383 HA LEU 49 HA LEU 49 69.467 30.229 -8.165 384 HB2 LEU 49 1HB LEU 49 71.256 28.499 -6.463 385 HB3 LEU 49 2HB LEU 49 70.689 28.128 -8.090 386 HG LEU 49 HG LEU 49 72.501 30.440 -7.403 387 HD11 LEU 49 1HD1 LEU 49 73.191 27.794 -7.312 388 HD12 LEU 49 2HD1 LEU 49 74.296 29.131 -7.627 389 HD13 LEU 49 3HD1 LEU 49 73.592 28.235 -8.972 390 HD21 LEU 49 3HD2 LEU 49 70.994 29.735 -9.737 391 HD22 LEU 49 1HD2 LEU 49 72.720 29.648 -10.088 392 HD23 LEU 49 2HD2 LEU 49 72.024 31.140 -9.454 393 H GLY 50 H GLY 50 68.727 30.147 -4.924 394 HA2 GLY 50 1HA GLY 50 66.975 29.229 -3.758 395 HA3 GLY 50 2HA GLY 50 66.289 28.781 -5.313 396 H THR 51 H THR 51 66.290 26.690 -5.906 397 HA THR 51 HA THR 51 67.940 24.814 -4.350 398 HB THR 51 HB THR 51 66.011 23.188 -4.479 399 HG1 THR 51 HG1 THR 51 63.919 24.329 -4.680 400 HG21 THR 51 3HG2 THR 51 65.093 23.907 -2.461 401 HG22 THR 51 1HG2 THR 51 65.214 25.610 -2.900 402 HG23 THR 51 2HG2 THR 51 66.667 24.701 -2.485 403 H GLY 52 H GLY 52 69.400 24.605 -6.064 404 HA2 GLY 52 1HA GLY 52 68.353 23.025 -8.320 405 HA3 GLY 52 2HA GLY 52 69.414 24.392 -8.626 406 H ARG 53 H ARG 53 71.020 23.147 -9.580 407 HA ARG 53 HA ARG 53 72.113 20.816 -8.404 408 HB2 ARG 53 1HB ARG 53 73.225 22.725 -10.465 409 HB3 ARG 53 2HB ARG 53 74.009 21.220 -10.005 410 HG2 ARG 53 1HG ARG 53 71.196 21.315 -11.050 411 HG3 ARG 53 2HG ARG 53 72.603 21.181 -12.107 412 HD2 ARG 53 1HD ARG 53 73.282 19.167 -10.754 413 HD3 ARG 53 2HD ARG 53 71.703 19.255 -9.975 414 HE ARG 53 HE ARG 53 71.579 19.186 -12.847 415 HH11 ARG 53 1HH1 ARG 53 71.748 17.282 -9.937 416 HH12 ARG 53 2HH1 ARG 53 71.039 15.876 -10.660 417 HH21 ARG 53 1HH2 ARG 53 70.644 17.342 -13.810 418 HH22 ARG 53 2HH2 ARG 53 70.411 15.911 -12.863 419 H TRP 54 H TRP 54 73.566 20.567 -6.833 420 HA TRP 54 HA TRP 54 74.352 22.612 -5.138 421 HB2 TRP 54 1HB TRP 54 76.168 20.934 -4.413 422 HB3 TRP 54 2HB TRP 54 74.484 20.439 -4.261 423 HD1 TRP 54 HD1 TRP 54 77.355 20.035 -6.850 424 HE1 TRP 54 HE1 TRP 54 77.151 17.689 -7.890 425 HE3 TRP 54 HE3 TRP 54 73.109 18.462 -4.477 426 HZ2 TRP 54 HZ2 TRP 54 75.418 15.467 -7.726 427 HZ3 TRP 54 HZ3 TRP 54 72.244 16.213 -4.975 428 HH2 TRP 54 HH2 TRP 54 73.375 14.748 -6.566 429 H ARG 55 H ARG 55 75.851 21.442 -8.064 430 HA ARG 55 HA ARG 55 78.386 22.661 -7.683 431 HB2 ARG 55 1HB ARG 55 77.772 20.807 -9.329 432 HB3 ARG 55 2HB ARG 55 77.113 22.077 -10.351 433 HG2 ARG 55 1HG ARG 55 79.375 23.170 -10.270 434 HG3 ARG 55 2HG ARG 55 79.967 21.700 -9.494 435 HD2 ARG 55 1HD ARG 55 78.572 21.767 -12.164 436 HD3 ARG 55 2HD ARG 55 80.323 21.778 -11.962 437 HE ARG 55 HE ARG 55 79.237 19.593 -10.564 438 HH11 ARG 55 1HH1 ARG 55 79.793 20.704 -13.816 439 HH12 ARG 55 2HH1 ARG 55 79.923 19.108 -14.478 440 HH21 ARG 55 1HH2 ARG 55 79.406 17.487 -11.424 441 HH22 ARG 55 2HH2 ARG 55 79.702 17.279 -13.117 442 H ASP 56 H ASP 56 75.316 23.786 -8.887 443 HA ASP 56 HA ASP 56 76.240 26.104 -10.222 444 HB2 ASP 56 1HB ASP 56 73.838 24.865 -10.048 445 HB3 ASP 56 2HB ASP 56 73.571 26.218 -8.952 446 H VAL 57 H VAL 57 74.971 25.593 -6.941 447 HA VAL 57 HA VAL 57 75.244 28.291 -6.121 448 HB VAL 57 HB VAL 57 73.754 26.890 -4.888 449 HG11 VAL 57 1HG1 VAL 57 74.662 24.724 -5.239 450 HG12 VAL 57 2HG1 VAL 57 76.161 25.145 -4.408 451 HG13 VAL 57 3HG1 VAL 57 74.657 24.996 -3.497 452 HG21 VAL 57 3HG2 VAL 57 74.886 28.633 -3.602 453 HG22 VAL 57 1HG2 VAL 57 74.531 27.229 -2.595 454 HG23 VAL 57 2HG2 VAL 57 76.171 27.499 -3.185 455 H LYS 58 H LYS 58 77.414 25.552 -6.151 456 HA LYS 58 HA LYS 58 79.360 26.560 -4.371 457 HB2 LYS 58 1HB LYS 58 79.392 24.231 -4.915 458 HB3 LYS 58 2HB LYS 58 79.528 24.572 -6.635 459 HG2 LYS 58 1HG LYS 58 81.682 25.679 -4.975 460 HG3 LYS 58 2HG LYS 58 81.603 23.917 -5.036 461 HD2 LYS 58 1HD LYS 58 81.344 24.337 -7.617 462 HD3 LYS 58 2HD LYS 58 82.115 25.877 -7.226 463 HE2 LYS 58 1HE LYS 58 83.197 23.119 -6.661 464 HE3 LYS 58 2HE LYS 58 83.792 24.256 -7.870 465 HZ1 LYS 58 3HZ LYS 58 85.239 24.520 -6.096 466 HZ2 LYS 58 1HZ LYS 58 84.017 24.406 -4.932 467 HZ3 LYS 58 2HZ LYS 58 84.153 25.799 -5.880 468 H PHE 59 H PHE 59 79.094 26.702 -7.911 469 HA PHE 59 HA PHE 59 81.462 28.311 -8.173 470 HB2 PHE 59 1HB PHE 59 80.636 26.705 -9.926 471 HB3 PHE 59 2HB PHE 59 79.314 27.823 -10.242 472 HD1 PHE 59 HD1 PHE 59 79.815 30.094 -11.128 473 HD2 PHE 59 HD2 PHE 59 82.791 27.067 -10.810 474 HE1 PHE 59 HE1 PHE 59 81.240 31.334 -12.704 475 HE2 PHE 59 HE2 PHE 59 84.221 28.304 -12.385 476 HZ PHE 59 HZ PHE 59 83.447 30.440 -13.333 477 H ARG 60 H ARG 60 77.969 28.872 -8.394 478 HA ARG 60 HA ARG 60 77.942 31.512 -9.187 479 HB2 ARG 60 1HB ARG 60 75.909 30.182 -8.949 480 HB3 ARG 60 2HB ARG 60 76.112 30.150 -7.203 481 HG2 ARG 60 1HG ARG 60 74.419 31.759 -7.850 482 HG3 ARG 60 2HG ARG 60 75.805 32.571 -7.119 483 HD2 ARG 60 1HD ARG 60 76.654 33.037 -9.415 484 HD3 ARG 60 2HD ARG 60 75.154 32.366 -10.055 485 HE ARG 60 HE ARG 60 74.389 34.310 -8.269 486 HH11 ARG 60 1HH1 ARG 60 76.321 34.169 -11.162 487 HH12 ARG 60 2HH1 ARG 60 75.952 35.792 -11.643 488 HH21 ARG 60 1HH2 ARG 60 73.897 36.448 -8.892 489 HH22 ARG 60 2HH2 ARG 60 74.574 37.088 -10.351 490 H ALA 61 H ALA 61 78.730 30.164 -6.065 491 HA ALA 61 HA ALA 61 78.619 32.647 -4.642 492 HB1 ALA 61 1HB ALA 61 78.788 29.973 -3.936 493 HB2 ALA 61 2HB ALA 61 80.337 30.652 -3.435 494 HB3 ALA 61 3HB ALA 61 78.832 31.356 -2.842 495 H PHE 62 H PHE 62 81.459 30.545 -5.068 496 HA PHE 62 HA PHE 62 83.037 32.603 -6.270 497 HB2 PHE 62 1HB PHE 62 83.137 32.190 -3.334 498 HB3 PHE 62 2HB PHE 62 84.686 32.346 -4.158 499 HD1 PHE 62 HD2 PHE 62 84.159 34.302 -6.225 500 HD2 PHE 62 HD1 PHE 62 82.762 34.162 -2.207 501 HE1 PHE 62 HE2 PHE 62 83.909 36.750 -6.230 502 HE2 PHE 62 HE1 PHE 62 82.509 36.609 -2.206 503 HZ PHE 62 HZ PHE 62 83.083 37.907 -4.219 504 H GLU 63 H GLU 63 83.893 31.282 -7.759 505 HA GLU 63 HA GLU 63 84.564 28.573 -7.319 506 HB2 GLU 63 1HB GLU 63 84.065 29.362 -9.548 507 HB3 GLU 63 2HB GLU 63 85.407 30.496 -9.490 508 HG2 GLU 63 1HG GLU 63 86.551 28.013 -8.980 509 HG3 GLU 63 2HG GLU 63 85.374 27.721 -10.258 510 H ASN 64 H ASN 64 86.049 28.049 -5.832 511 HA ASN 64 HA ASN 64 87.985 28.034 -4.619 512 HB2 ASN 64 1HB ASN 64 88.908 28.400 -7.459 513 HB3 ASN 64 2HB ASN 64 90.067 28.266 -6.140 514 HD21 ASN 64 2HD2 ASN 64 89.846 26.345 -4.746 515 HD22 ASN 64 1HD2 ASN 64 89.381 24.855 -5.486 516 H VAL 65 H VAL 65 86.884 30.289 -3.981 517 HA VAL 65 HA VAL 65 89.064 32.262 -4.099 518 HB VAL 65 HB VAL 65 86.355 32.597 -5.045 519 HG11 VAL 65 1HG1 VAL 65 85.820 33.446 -2.868 520 HG12 VAL 65 2HG1 VAL 65 87.272 34.448 -2.849 521 HG13 VAL 65 3HG1 VAL 65 85.964 34.812 -3.975 522 HG21 VAL 65 3HG2 VAL 65 88.158 34.898 -5.112 523 HG22 VAL 65 1HG2 VAL 65 88.874 33.411 -5.734 524 HG23 VAL 65 2HG2 VAL 65 87.378 34.028 -6.433 525 H HIS 66 H HIS 66 86.238 31.045 -2.369 526 HA HIS 66 HA HIS 66 87.407 31.087 0.147 527 HB2 HIS 66 1HB HIS 66 86.432 33.686 -0.713 528 HB3 HIS 66 2HB HIS 66 85.627 33.143 0.757 529 HD1 HIS 66 HD1 HIS 66 88.399 35.071 -0.205 530 HD2 HIS 66 HD2 HIS 66 87.819 32.125 2.667 531 HE1 HIS 66 HE1 HIS 66 90.251 35.387 1.466 532 H HIS 67 H HIS 67 86.194 29.079 -0.273 533 HA HIS 67 HA HIS 67 83.772 29.035 1.199 534 HB2 HIS 67 1HB HIS 67 83.595 29.213 -1.734 535 HB3 HIS 67 2HB HIS 67 82.663 27.899 -1.023 536 HD1 HIS 67 HD1 HIS 67 81.993 31.035 -2.196 537 HD2 HIS 67 HD2 HIS 67 81.317 29.284 1.510 538 HE1 HIS 67 HE1 HIS 67 80.147 32.379 -1.145 539 H ARG 68 H ARG 68 82.680 26.734 0.819 540 HA ARG 68 HA ARG 68 84.893 24.791 0.799 541 HB2 ARG 68 1HB ARG 68 82.362 24.935 2.414 542 HB3 ARG 68 2HB ARG 68 83.207 23.409 2.194 543 HG2 ARG 68 1HG ARG 68 84.061 24.161 4.195 544 HG3 ARG 68 2HG ARG 68 85.276 24.716 3.041 545 HD2 ARG 68 1HD ARG 68 84.769 26.484 4.610 546 HD3 ARG 68 2HD ARG 68 84.194 26.928 3.004 547 HE ARG 68 HE ARG 68 82.086 25.710 4.366 548 HH11 ARG 68 1HH1 ARG 68 84.029 28.592 4.559 549 HH12 ARG 68 2HH1 ARG 68 82.780 29.543 5.292 550 HH21 ARG 68 1HH2 ARG 68 80.433 26.951 5.331 551 HH22 ARG 68 2HH2 ARG 68 80.735 28.608 5.731 552 H THR 69 H THR 69 83.659 22.441 0.620 553 HA THR 69 HA THR 69 83.155 22.057 -2.057 554 HB THR 69 HB THR 69 81.735 20.292 -0.109 555 HG1 THR 69 HG1 THR 69 83.517 19.815 0.925 556 HG21 THR 69 3HG2 THR 69 81.614 19.323 -2.174 557 HG22 THR 69 1HG2 THR 69 83.158 18.655 -1.646 558 HG23 THR 69 2HG2 THR 69 83.123 20.050 -2.725 559 H TYR 70 H TYR 70 81.243 21.605 -3.258 560 HA TYR 70 HA TYR 70 79.233 23.472 -3.098 561 HB2 TYR 70 1HB TYR 70 77.895 21.846 -4.523 562 HB3 TYR 70 2HB TYR 70 79.489 22.278 -5.132 563 HD1 TYR 70 HD1 TYR 70 77.445 19.606 -3.678 564 HD2 TYR 70 HD2 TYR 70 81.278 20.643 -5.205 565 HE1 TYR 70 HE1 TYR 70 78.030 17.221 -3.812 566 HE2 TYR 70 HE2 TYR 70 81.874 18.261 -5.344 567 HH TYR 70 HH TYR 70 80.681 16.072 -5.530 568 H VAL 71 H VAL 71 79.238 20.176 -1.791 569 HA VAL 71 HA VAL 71 76.596 20.221 -0.795 570 HB VAL 71 HB VAL 71 77.818 18.127 -1.096 571 HG11 VAL 71 1HG1 VAL 71 79.399 18.477 1.376 572 HG12 VAL 71 2HG1 VAL 71 79.783 17.596 -0.104 573 HG13 VAL 71 3HG1 VAL 71 79.959 19.350 -0.050 574 HG21 VAL 71 3HG2 VAL 71 76.254 18.847 1.142 575 HG22 VAL 71 1HG2 VAL 71 76.443 17.253 0.412 576 HG23 VAL 71 2HG2 VAL 71 77.515 17.757 1.718 577 H ASP 72 H ASP 72 79.647 21.337 0.498 578 HA ASP 72 HA ASP 72 78.865 21.615 3.195 579 HB2 ASP 72 1HB ASP 72 81.227 21.740 2.126 580 HB3 ASP 72 2HB ASP 72 80.852 23.442 1.874 581 H LEU 73 H LEU 73 78.761 23.849 0.449 582 HA LEU 73 HA LEU 73 77.834 26.090 1.892 583 HB2 LEU 73 1HB LEU 73 77.217 25.538 -0.994 584 HB3 LEU 73 2HB LEU 73 77.416 27.098 -0.198 585 HG LEU 73 HG LEU 73 79.528 25.141 -1.048 586 HD11 LEU 73 1HD1 LEU 73 79.550 28.098 -1.451 587 HD12 LEU 73 2HD1 LEU 73 78.540 27.080 -2.476 588 HD13 LEU 73 3HD1 LEU 73 80.284 26.824 -2.425 589 HD21 LEU 73 3HD2 LEU 73 80.924 27.153 0.122 590 HD22 LEU 73 1HD2 LEU 73 80.586 25.597 0.880 591 HD23 LEU 73 2HD2 LEU 73 79.563 26.990 1.232 592 H LYS 74 H LYS 74 76.093 23.700 -0.091 593 HA LYS 74 HA LYS 74 73.517 24.729 0.386 594 HB2 LYS 74 1HB LYS 74 74.631 22.166 -0.636 595 HB3 LYS 74 2HB LYS 74 72.953 22.165 -0.109 596 HG2 LYS 74 1HG LYS 74 73.142 24.429 -1.680 597 HG3 LYS 74 2HG LYS 74 74.144 23.243 -2.520 598 HD2 LYS 74 1HD LYS 74 71.293 22.810 -1.627 599 HD3 LYS 74 2HD LYS 74 71.804 23.182 -3.275 600 HE2 LYS 74 1HE LYS 74 72.076 21.008 -3.638 601 HE3 LYS 74 2HE LYS 74 73.362 20.997 -2.432 602 HZ1 LYS 74 3HZ LYS 74 70.980 19.652 -2.289 603 HZ2 LYS 74 1HZ LYS 74 70.783 20.949 -1.221 604 HZ3 LYS 74 2HZ LYS 74 72.080 19.882 -1.025 605 H ASP 75 H ASP 75 75.360 22.166 2.004 606 HA ASP 75 HA ASP 75 73.332 21.442 3.833 607 HB2 ASP 75 1HB ASP 75 75.418 20.113 3.237 608 HB3 ASP 75 2HB ASP 75 76.299 21.187 4.320 609 H LYS 76 H LYS 76 75.955 23.795 3.968 610 HA LYS 76 HA LYS 76 75.733 24.477 6.683 611 HB2 LYS 76 1HB LYS 76 76.859 25.790 4.254 612 HB3 LYS 76 2HB LYS 76 76.632 26.774 5.694 613 HG2 LYS 76 1HG LYS 76 78.148 24.180 5.709 614 HG3 LYS 76 2HG LYS 76 78.907 25.745 5.408 615 HD2 LYS 76 1HD LYS 76 78.308 26.538 7.574 616 HD3 LYS 76 2HD LYS 76 77.268 25.142 7.864 617 HE2 LYS 76 1HE LYS 76 79.169 24.592 9.058 618 HE3 LYS 76 2HE LYS 76 79.445 23.772 7.523 619 HZ1 LYS 76 3HZ LYS 76 80.491 26.488 8.045 620 HZ2 LYS 76 1HZ LYS 76 80.978 25.384 6.859 621 HZ3 LYS 76 2HZ LYS 76 81.357 25.103 8.483 622 H TRP 77 H TRP 77 74.232 25.920 3.802 623 HA TRP 77 HA TRP 77 72.840 27.965 5.111 624 HB2 TRP 77 1HB TRP 77 73.037 28.055 2.733 625 HB3 TRP 77 2HB TRP 77 72.272 26.480 2.545 626 HD1 TRP 77 HD1 TRP 77 71.317 30.040 3.756 627 HE1 TRP 77 HE1 TRP 77 68.843 30.437 3.170 628 HE3 TRP 77 HE3 TRP 77 70.188 25.436 1.844 629 HZ2 TRP 77 HZ2 TRP 77 66.696 28.989 2.047 630 HZ3 TRP 77 HZ3 TRP 77 67.901 25.023 1.036 631 HH2 TRP 77 HH2 TRP 77 66.192 26.764 1.137 632 H LYS 78 H LYS 78 71.697 24.738 4.121 633 HA LYS 78 HA LYS 78 69.120 24.905 5.142 634 HB2 LYS 78 1HB LYS 78 69.762 23.080 3.703 635 HB3 LYS 78 2HB LYS 78 70.949 22.516 4.872 636 HG2 LYS 78 1HG LYS 78 69.032 21.087 4.959 637 HG3 LYS 78 2HG LYS 78 69.102 22.033 6.448 638 HD2 LYS 78 1HD LYS 78 67.420 23.563 5.570 639 HD3 LYS 78 2HD LYS 78 67.373 22.660 4.054 640 HE2 LYS 78 1HE LYS 78 66.584 21.652 6.784 641 HE3 LYS 78 2HE LYS 78 65.500 22.024 5.445 642 HZ1 LYS 78 3HZ LYS 78 67.270 20.246 4.386 643 HZ2 LYS 78 1HZ LYS 78 65.702 19.889 4.912 644 HZ3 LYS 78 2HZ LYS 78 67.016 19.651 5.949 645 H THR 79 H THR 79 72.091 23.799 6.736 646 HA THR 79 HA THR 79 70.898 23.092 9.189 647 HB THR 79 HB THR 79 73.737 24.051 8.789 648 HG1 THR 79 HG1 THR 79 72.648 21.425 8.535 649 HG21 THR 79 3HG2 THR 79 73.945 23.642 10.968 650 HG22 THR 79 1HG2 THR 79 73.554 21.951 10.657 651 HG23 THR 79 2HG2 THR 79 72.272 23.093 11.062 652 H LEU 80 H LEU 80 72.657 26.044 8.239 653 HA LEU 80 HA LEU 80 72.343 27.430 10.642 654 HB2 LEU 80 1HB LEU 80 73.394 29.097 9.584 655 HB3 LEU 80 2HB LEU 80 73.591 27.919 8.287 656 HG LEU 80 HG LEU 80 71.321 28.902 7.440 657 HD11 LEU 80 1HD1 LEU 80 71.964 30.635 9.653 658 HD12 LEU 80 2HD1 LEU 80 70.504 30.561 8.668 659 HD13 LEU 80 3HD1 LEU 80 71.875 31.537 8.140 660 HD21 LEU 80 3HD2 LEU 80 73.372 30.912 6.958 661 HD22 LEU 80 1HD2 LEU 80 72.581 29.806 5.835 662 HD23 LEU 80 2HD2 LEU 80 73.966 29.260 6.782 663 H VAL 81 H VAL 81 70.155 26.966 7.963 664 HA VAL 81 HA VAL 81 68.322 29.031 8.618 665 HB VAL 81 HB VAL 81 68.065 26.521 6.978 666 HG11 VAL 81 1HG1 VAL 81 65.862 26.622 7.459 667 HG12 VAL 81 2HG1 VAL 81 65.945 28.303 7.990 668 HG13 VAL 81 3HG1 VAL 81 65.877 27.923 6.269 669 HG21 VAL 81 3HG2 VAL 81 69.089 29.067 6.462 670 HG22 VAL 81 1HG2 VAL 81 68.727 27.804 5.285 671 HG23 VAL 81 2HG2 VAL 81 67.516 29.029 5.665 672 H HIS 82 H HIS 82 68.395 25.554 9.342 673 HA HIS 82 HA HIS 82 65.960 25.438 10.733 674 HB2 HIS 82 1HB HIS 82 67.131 23.434 9.943 675 HB3 HIS 82 2HB HIS 82 68.436 23.734 11.087 676 HD1 HIS 82 HD1 HIS 82 68.146 22.847 13.420 677 HD2 HIS 82 HD2 HIS 82 64.644 22.667 11.191 678 HE1 HIS 82 HE1 HIS 82 66.529 21.519 14.814 679 H THR 83 H THR 83 69.248 26.125 11.823 680 HA THR 83 HA THR 83 68.564 26.250 14.595 681 HB THR 83 HB THR 83 70.978 27.493 13.270 682 HG1 THR 83 HG1 THR 83 70.605 24.836 14.242 683 HG21 THR 83 3HG2 THR 83 72.012 27.345 15.404 684 HG22 THR 83 1HG2 THR 83 70.697 26.365 16.051 685 HG23 THR 83 2HG2 THR 83 70.425 28.065 15.671 686 H ALA 84 H ALA 84 68.613 28.521 11.953 687 HA ALA 84 HA ALA 84 68.356 30.832 13.681 688 HB1 ALA 84 1HB ALA 84 69.585 30.876 11.499 689 HB2 ALA 84 2HB ALA 84 68.025 30.728 10.689 690 HB3 ALA 84 3HB ALA 84 68.368 32.139 11.690 691 H SER 85 H SER 85 66.291 28.464 12.575 692 HA SER 85 HA SER 85 63.963 30.258 12.546 693 HB2 SER 85 1HB SER 85 62.861 28.748 11.190 694 HB3 SER 85 2HB SER 85 64.527 28.460 10.688 695 HG SER 85 HG SER 85 64.582 26.640 11.962 696 H ILE 86 H ILE 86 65.332 27.420 14.105 697 HA ILE 86 HA ILE 86 63.216 26.550 15.639 698 HB ILE 86 HB ILE 86 64.950 25.875 17.346 699 HG12 ILE 86 1HG1 ILE 86 66.878 27.001 15.307 700 HG13 ILE 86 2HG1 ILE 86 66.494 27.783 16.836 701 HG21 ILE 86 1HG2 ILE 86 65.034 24.028 16.122 702 HG22 ILE 86 2HG2 ILE 86 64.476 24.945 14.723 703 HG23 ILE 86 3HG2 ILE 86 66.204 24.777 15.035 704 HD11 ILE 86 3HD1 ILE 86 68.498 26.664 17.224 705 HD12 ILE 86 1HD1 ILE 86 67.269 25.618 17.934 706 HD13 ILE 86 2HD1 ILE 86 67.965 25.220 16.363 707 H ALA 87 H ALA 87 63.064 26.792 18.091 708 HA ALA 87 HA ALA 87 62.177 29.317 18.762 709 HB1 ALA 87 1HB ALA 87 62.927 28.244 21.192 710 HB2 ALA 87 2HB ALA 87 61.381 28.002 20.376 711 HB3 ALA 87 3HB ALA 87 62.680 26.827 20.170 712 HA PRO 88 HA PRO 88 65.638 31.812 19.785 713 HB2 PRO 88 1HB PRO 88 64.757 33.163 21.968 714 HB3 PRO 88 2HB PRO 88 64.154 33.476 20.336 715 HG2 PRO 88 1HG PRO 88 62.932 31.842 22.527 716 HG3 PRO 88 2HG PRO 88 62.156 32.990 21.421 717 HD2 PRO 88 1HD PRO 88 62.042 30.310 21.053 718 HD3 PRO 88 2HD PRO 88 62.055 31.460 19.701 719 H GLN 89 H GLN 89 64.230 30.101 22.558 720 HA GLN 89 HA GLN 89 66.327 30.355 24.355 721 HB2 GLN 89 1HB GLN 89 65.473 28.237 25.361 722 HB3 GLN 89 2HB GLN 89 64.226 29.443 25.073 723 HG2 GLN 89 1HG GLN 89 63.304 28.254 23.308 724 HG3 GLN 89 2HG GLN 89 64.765 27.299 23.061 725 HE21 GLN 89 2HE2 GLN 89 62.808 25.728 23.069 726 HE22 GLN 89 1HE2 GLN 89 62.503 24.954 24.583 727 H GLN 90 H GLN 90 66.053 28.371 21.523 728 HA GLN 90 HA GLN 90 68.307 26.697 22.232 729 HB2 GLN 90 1HB GLN 90 66.718 26.908 19.669 730 HB3 GLN 90 2HB GLN 90 67.972 25.714 19.982 731 HG2 GLN 90 1HG GLN 90 65.382 26.003 21.487 732 HG3 GLN 90 2HG GLN 90 65.763 24.765 20.291 733 HE21 GLN 90 2HE2 GLN 90 68.181 23.896 20.921 734 HE22 GLN 90 1HE2 GLN 90 68.227 23.243 22.520 735 H ARG 91 H ARG 91 67.696 29.612 20.472 736 HA ARG 91 HA ARG 91 70.109 29.572 18.932 737 HB2 ARG 91 1HB ARG 91 68.106 30.843 18.237 738 HB3 ARG 91 2HB ARG 91 68.308 31.898 19.629 739 HG2 ARG 91 1HG ARG 91 69.187 33.049 17.765 740 HG3 ARG 91 2HG ARG 91 70.569 32.500 18.715 741 HD2 ARG 91 1HD ARG 91 69.526 30.807 16.484 742 HD3 ARG 91 2HD ARG 91 70.554 32.194 16.124 743 HE ARG 91 HE ARG 91 71.665 30.495 18.139 744 HH11 ARG 91 1HH1 ARG 91 71.274 30.926 14.706 745 HH12 ARG 91 2HH1 ARG 91 72.691 30.016 14.299 746 HH21 ARG 91 1HH2 ARG 91 73.532 29.294 17.615 747 HH22 ARG 91 2HH2 ARG 91 73.974 29.087 15.954 748 H ARG 92 H ARG 92 71.464 29.001 20.851 749 HA ARG 92 HA ARG 92 72.347 31.452 22.229 750 HB2 ARG 92 1HB ARG 92 71.208 29.473 23.565 751 HB3 ARG 92 2HB ARG 92 72.815 28.768 23.450 752 HG2 ARG 92 1HG ARG 92 73.779 30.431 24.744 753 HG3 ARG 92 2HG ARG 92 72.453 31.559 24.456 754 HD2 ARG 92 1HD ARG 92 72.426 30.653 26.741 755 HD3 ARG 92 2HD ARG 92 70.977 30.221 25.834 756 HE ARG 92 HE ARG 92 71.591 28.012 25.954 757 HH11 ARG 92 1HH1 ARG 92 74.267 30.021 26.915 758 HH12 ARG 92 2HH1 ARG 92 75.224 28.696 27.490 759 HH21 ARG 92 1HH2 ARG 92 72.842 26.260 26.708 760 HH22 ARG 92 2HH2 ARG 92 74.413 26.557 27.371 761 H GLY 93 H GLY 93 73.502 31.138 19.907 762 HA2 GLY 93 1HA GLY 93 76.016 29.669 20.384 763 HA3 GLY 93 2HA GLY 93 75.369 30.056 18.797 764 H ALA 94 H ALA 94 77.087 31.189 18.004 765 HA ALA 94 HA ALA 94 78.370 33.262 19.530 766 HB1 ALA 94 1HB ALA 94 79.005 33.500 16.777 767 HB2 ALA 94 2HB ALA 94 80.002 32.860 18.084 768 HB3 ALA 94 3HB ALA 94 78.942 31.783 17.174 769 HA PRO 95 HA PRO 95 75.993 36.768 18.384 770 HB2 PRO 95 1HB PRO 95 77.899 38.659 17.984 771 HB3 PRO 95 2HB PRO 95 77.475 38.047 19.587 772 HG2 PRO 95 1HG PRO 95 79.767 37.292 17.815 773 HG3 PRO 95 2HG PRO 95 79.753 37.582 19.564 774 HD2 PRO 95 1HD PRO 95 79.731 35.092 18.501 775 HD3 PRO 95 2HD PRO 95 78.925 35.483 20.033 776 H VAL 96 H VAL 96 75.005 36.365 16.439 777 HA VAL 96 HA VAL 96 76.496 37.159 14.022 778 HB VAL 96 HB VAL 96 74.780 35.674 12.812 779 HG11 VAL 96 1HG1 VAL 96 76.172 33.679 13.126 780 HG12 VAL 96 2HG1 VAL 96 77.150 35.139 12.961 781 HG13 VAL 96 3HG1 VAL 96 76.900 34.418 14.552 782 HG21 VAL 96 3HG2 VAL 96 73.622 34.041 13.980 783 HG22 VAL 96 1HG2 VAL 96 74.653 34.185 15.404 784 HG23 VAL 96 2HG2 VAL 96 73.471 35.442 15.040 785 HA PRO 97 HA PRO 97 73.456 40.218 13.205 786 HB2 PRO 97 1HB PRO 97 73.342 40.163 10.493 787 HB3 PRO 97 2HB PRO 97 74.718 40.825 11.384 788 HG2 PRO 97 1HG PRO 97 74.405 38.135 10.107 789 HG3 PRO 97 2HG PRO 97 75.804 39.226 10.090 790 HD2 PRO 97 1HD PRO 97 75.648 37.082 11.736 791 HD3 PRO 97 2HD PRO 97 76.496 38.574 12.190 792 H GLN 98 H GLN 98 71.297 40.267 13.289 793 HA GLN 98 HA GLN 98 69.725 37.957 12.988 794 HB2 GLN 98 1HB GLN 98 68.913 40.865 13.101 795 HB3 GLN 98 2HB GLN 98 67.791 39.516 13.211 796 HG2 GLN 98 1HG GLN 98 68.987 38.739 15.230 797 HG3 GLN 98 2HG GLN 98 70.002 40.178 15.141 798 HE21 GLN 98 2HE2 GLN 98 67.002 38.875 16.111 799 HE22 GLN 98 1HE2 GLN 98 66.317 40.325 16.753 800 H GLU 99 H GLU 99 70.485 40.585 10.799 801 HA GLU 99 HA GLU 99 68.518 40.224 8.870 802 HB2 GLU 99 1HB GLU 99 70.253 41.144 7.268 803 HB3 GLU 99 2HB GLU 99 69.913 42.128 8.684 804 HG2 GLU 99 1HG GLU 99 71.930 41.370 9.755 805 HG3 GLU 99 2HG GLU 99 72.251 40.251 8.431 806 H LEU 100 H LEU 100 71.589 38.538 9.312 807 HA LEU 100 HA LEU 100 71.606 37.070 6.933 808 HB2 LEU 100 1HB LEU 100 72.904 36.889 9.564 809 HB3 LEU 100 2HB LEU 100 72.789 35.367 8.682 810 HG LEU 100 HG LEU 100 74.941 36.528 8.347 811 HD11 LEU 100 1HD1 LEU 100 74.373 36.746 5.670 812 HD12 LEU 100 2HD1 LEU 100 73.109 35.664 6.255 813 HD13 LEU 100 3HD1 LEU 100 74.805 35.260 6.518 814 HD21 LEU 100 3HD2 LEU 100 73.599 38.560 6.638 815 HD22 LEU 100 1HD2 LEU 100 75.151 38.630 7.475 816 HD23 LEU 100 2HD2 LEU 100 73.651 38.828 8.381 817 H LEU 101 H LEU 101 70.070 36.414 10.041 818 HA LEU 101 HA LEU 101 69.166 33.801 9.316 819 HB2 LEU 101 1HB LEU 101 68.263 35.662 11.509 820 HB3 LEU 101 2HB LEU 101 67.780 33.974 11.352 821 HG LEU 101 HG LEU 101 69.440 33.618 12.818 822 HD11 LEU 101 1HD1 LEU 101 71.494 33.001 11.822 823 HD12 LEU 101 2HD1 LEU 101 71.287 34.157 10.507 824 HD13 LEU 101 3HD1 LEU 101 70.250 32.734 10.600 825 HD21 LEU 101 3HD2 LEU 101 70.306 36.336 12.001 826 HD22 LEU 101 1HD2 LEU 101 71.499 35.289 12.768 827 HD23 LEU 101 2HD2 LEU 101 69.999 35.678 13.609 828 H ASP 102 H ASP 102 67.941 37.030 8.959 829 HA ASP 102 HA ASP 102 65.227 36.279 8.447 830 HB2 ASP 102 1HB ASP 102 65.892 38.534 9.263 831 HB3 ASP 102 2HB ASP 102 66.654 38.841 7.704 832 H ARG 103 H ARG 103 68.038 37.051 6.444 833 HA ARG 103 HA ARG 103 66.672 36.905 3.962 834 HB2 ARG 103 1HB ARG 103 68.956 36.747 2.986 835 HB3 ARG 103 2HB ARG 103 68.764 38.092 4.103 836 HG2 ARG 103 1HG ARG 103 69.842 36.727 5.863 837 HG3 ARG 103 2HG ARG 103 70.123 35.465 4.661 838 HD2 ARG 103 1HD ARG 103 71.166 38.293 4.531 839 HD3 ARG 103 2HD ARG 103 72.103 36.872 4.990 840 HE ARG 103 HE ARG 103 72.135 36.191 2.763 841 HH11 ARG 103 1HH1 ARG 103 70.217 39.066 3.185 842 HH12 ARG 103 2HH1 ARG 103 70.158 39.432 1.492 843 HH21 ARG 103 1HH2 ARG 103 72.064 36.662 0.532 844 HH22 ARG 103 2HH2 ARG 103 71.208 38.064 -0.016 845 H VAL 104 H VAL 104 68.649 34.581 5.775 846 HA VAL 104 HA VAL 104 68.503 32.499 3.872 847 HB VAL 104 HB VAL 104 69.212 31.009 5.690 848 HG11 VAL 104 1HG1 VAL 104 71.280 32.319 6.362 849 HG12 VAL 104 2HG1 VAL 104 70.977 32.159 4.631 850 HG13 VAL 104 3HG1 VAL 104 70.594 33.669 5.459 851 HG21 VAL 104 3HG2 VAL 104 69.709 32.285 7.918 852 HG22 VAL 104 1HG2 VAL 104 68.409 33.343 7.369 853 HG23 VAL 104 2HG2 VAL 104 68.103 31.623 7.615 854 H LEU 105 H LEU 105 66.507 33.322 6.672 855 HA LEU 105 HA LEU 105 64.872 31.010 6.570 856 HB2 LEU 105 1HB LEU 105 64.632 33.703 7.846 857 HB3 LEU 105 2HB LEU 105 63.260 32.597 7.851 858 HG LEU 105 HG LEU 105 65.970 31.955 9.009 859 HD11 LEU 105 1HD1 LEU 105 65.416 33.137 10.798 860 HD12 LEU 105 2HD1 LEU 105 63.972 32.146 10.996 861 HD13 LEU 105 3HD1 LEU 105 63.902 33.622 10.034 862 HD21 LEU 105 3HD2 LEU 105 64.002 30.241 8.216 863 HD22 LEU 105 1HD2 LEU 105 63.588 30.512 9.909 864 HD23 LEU 105 2HD2 LEU 105 65.189 29.908 9.478 865 H ALA 106 H ALA 106 64.340 34.344 5.435 866 HA ALA 106 HA ALA 106 61.817 34.033 4.344 867 HB1 ALA 106 1HB ALA 106 62.422 35.922 2.848 868 HB2 ALA 106 2HB ALA 106 62.809 36.208 4.545 869 HB3 ALA 106 3HB ALA 106 64.088 35.779 3.408 870 H ALA 107 H ALA 107 64.969 33.489 2.794 871 HA ALA 107 HA ALA 107 63.989 32.796 0.255 872 HB1 ALA 107 1HB ALA 107 66.377 31.340 0.780 873 HB2 ALA 107 2HB ALA 107 66.162 32.799 -0.188 874 HB3 ALA 107 3HB ALA 107 66.510 32.928 1.536 875 H GLN 108 H GLN 108 64.816 30.776 3.058 876 HA GLN 108 HA GLN 108 64.417 28.274 1.946 877 HB2 GLN 108 1HB GLN 108 65.160 29.054 4.359 878 HB3 GLN 108 2HB GLN 108 63.462 28.784 4.729 879 HG2 GLN 108 1HG GLN 108 65.510 26.802 3.802 880 HG3 GLN 108 2HG GLN 108 64.552 26.788 5.282 881 HE21 GLN 108 2HE2 GLN 108 64.858 25.513 2.245 882 HE22 GLN 108 1HE2 GLN 108 63.262 24.881 2.046 883 H ALA 109 H ALA 109 62.034 30.432 3.447 884 HA ALA 109 HA ALA 109 59.845 28.638 3.032 885 HB1 ALA 109 1HB ALA 109 59.351 31.538 3.407 886 HB2 ALA 109 2HB ALA 109 58.576 30.147 4.167 887 HB3 ALA 109 3HB ALA 109 60.171 30.672 4.706 888 H TYR 110 H TYR 110 61.113 31.476 1.351 889 HA TYR 110 HA TYR 110 59.067 31.898 -0.473 890 HB2 TYR 110 1HB TYR 110 61.284 33.210 -0.050 891 HB3 TYR 110 2HB TYR 110 61.936 32.166 -1.308 892 HD1 TYR 110 HD1 TYR 110 59.458 34.796 -0.575 893 HD2 TYR 110 HD2 TYR 110 61.351 32.485 -3.606 894 HE1 TYR 110 HE1 TYR 110 58.537 36.300 -2.289 895 HE2 TYR 110 HE2 TYR 110 60.436 33.984 -5.328 896 HH TYR 110 HH TYR 110 59.589 36.703 -5.141 897 H TRP 111 H TRP 111 61.826 29.686 -0.671 898 HA TRP 111 HA TRP 111 60.970 28.676 -3.247 899 HB2 TRP 111 1HB TRP 111 63.150 27.598 -1.452 900 HB3 TRP 111 2HB TRP 111 62.942 27.296 -3.175 901 HD1 TRP 111 HD1 TRP 111 65.250 29.035 -1.197 902 HE1 TRP 111 HE1 TRP 111 66.183 31.153 -2.324 903 HE3 TRP 111 HE3 TRP 111 61.709 29.648 -4.833 904 HZ2 TRP 111 HZ2 TRP 111 65.507 32.858 -4.469 905 HZ3 TRP 111 HZ3 TRP 111 61.925 31.548 -6.382 906 HH2 TRP 111 HH2 TRP 111 63.785 33.119 -6.202 907 H SER 112 H SER 112 59.786 28.258 -0.274 908 HA SER 112 HA SER 112 59.446 25.363 -0.399 909 HB2 SER 112 1HB SER 112 59.008 25.433 1.831 910 HB3 SER 112 2HB SER 112 59.793 27.009 1.729 911 HG SER 112 HG SER 112 57.763 27.115 2.789 912 H VAL 113 H VAL 113 58.155 27.508 -2.195 913 HA VAL 113 HA VAL 113 55.506 26.283 -2.165 914 HB VAL 113 HB VAL 113 55.746 29.273 -2.416 915 HG11 VAL 113 1HG1 VAL 113 53.289 27.907 -1.493 916 HG12 VAL 113 2HG1 VAL 113 53.482 29.307 -2.551 917 HG13 VAL 113 3HG1 VAL 113 53.741 27.680 -3.182 918 HG21 VAL 113 3HG2 VAL 113 55.244 27.629 0.057 919 HG22 VAL 113 1HG2 VAL 113 56.500 28.839 -0.206 920 HG23 VAL 113 2HG2 VAL 113 54.813 29.334 -0.078 921 H ASP 114 H ASP 114 55.695 25.299 -4.104 922 HA ASP 114 HA ASP 114 55.735 25.040 -6.364 923 HB2 ASP 114 1HB ASP 114 54.201 27.133 -6.099 924 HB3 ASP 114 2HB ASP 114 55.589 28.015 -6.732 925 H SER 115 H SER 115 58.122 24.735 -5.436 926 HA SER 115 HA SER 115 60.040 26.626 -6.445 927 HB2 SER 115 1HB SER 115 60.203 24.921 -4.422 928 HB3 SER 115 2HB SER 115 60.827 23.849 -5.675 929 HG SER 115 HG SER 115 61.829 26.451 -5.150 930 H SER 116 H SER 116 61.699 26.097 -8.010 931 HA SER 116 HA SER 116 60.581 24.905 -10.364 932 HB2 SER 116 1HB SER 116 62.683 25.561 -11.442 933 HB3 SER 116 2HB SER 116 62.040 26.892 -10.480 934 HG SER 116 HG SER 116 64.205 26.716 -10.020 935 H GLY 117 H GLY 117 61.534 23.176 -11.590 936 HA2 GLY 117 1HA GLY 117 63.084 21.279 -9.940 937 HA3 GLY 117 2HA GLY 117 61.698 20.755 -10.885 938 H ARG 118 H ARG 118 63.531 19.275 -11.629 939 HA ARG 118 HA ARG 118 65.479 20.372 -13.413 940 HB2 ARG 118 1HB ARG 118 65.991 18.037 -13.955 941 HB3 ARG 118 2HB ARG 118 65.898 18.283 -12.217 942 HG2 ARG 118 1HG ARG 118 63.707 17.282 -12.146 943 HG3 ARG 118 2HG ARG 118 63.681 17.144 -13.905 944 HD2 ARG 118 1HD ARG 118 65.737 15.816 -12.149 945 HD3 ARG 118 2HD ARG 118 64.249 15.031 -12.678 946 HE ARG 118 HE ARG 118 65.828 16.104 -14.829 947 HH11 ARG 118 1HH1 ARG 118 65.293 13.361 -12.754 948 HH12 ARG 118 2HH1 ARG 118 65.992 12.224 -13.858 949 HH21 ARG 118 1HH2 ARG 118 66.750 14.617 -16.292 950 HH22 ARG 118 2HH2 ARG 118 66.821 12.939 -15.871 951 H ILE 119 H ILE 119 65.572 19.123 -15.681 952 HA ILE 119 HA ILE 119 63.402 20.198 -17.192 953 HB ILE 119 HB ILE 119 65.581 18.345 -18.157 954 HG12 ILE 119 1HG1 ILE 119 66.507 20.341 -17.037 955 HG13 ILE 119 2HG1 ILE 119 66.819 20.360 -18.769 956 HG21 ILE 119 1HG2 ILE 119 63.426 19.872 -19.461 957 HG22 ILE 119 2HG2 ILE 119 65.008 19.961 -20.233 958 HG23 ILE 119 3HG2 ILE 119 64.242 18.395 -19.971 959 HD11 ILE 119 3HD1 ILE 119 66.185 22.556 -17.960 960 HD12 ILE 119 1HD1 ILE 119 64.979 21.927 -19.082 961 HD13 ILE 119 2HD1 ILE 119 64.665 21.905 -17.347 962 H VAL 120 H VAL 120 61.488 19.183 -16.766 963 HA VAL 120 HA VAL 120 61.365 16.286 -17.292 964 HB VAL 120 HB VAL 120 59.278 17.867 -15.802 965 HG11 VAL 120 1HG1 VAL 120 58.216 15.917 -15.506 966 HG12 VAL 120 2HG1 VAL 120 59.206 15.345 -16.850 967 HG13 VAL 120 3HG1 VAL 120 59.714 15.041 -15.188 968 HG21 VAL 120 3HG2 VAL 120 60.415 16.664 -13.781 969 HG22 VAL 120 1HG2 VAL 120 61.836 16.678 -14.824 970 HG23 VAL 120 2HG2 VAL 120 61.058 18.195 -14.373 971 H THR 121 H THR 121 61.432 17.767 -19.522 972 HA THR 121 HA THR 121 58.779 18.514 -20.382 973 HB THR 121 HB THR 121 60.775 19.725 -21.205 974 HG1 THR 121 HG1 THR 121 58.692 19.246 -22.486 975 HG21 THR 121 3HG2 THR 121 61.439 17.608 -23.147 976 HG22 THR 121 1HG2 THR 121 61.944 17.305 -21.486 977 HG23 THR 121 2HG2 THR 121 62.489 18.759 -22.322 978 H LEU 122 H LEU 122 60.829 15.722 -20.546 979 HA LEU 122 HA LEU 122 59.333 14.456 -22.668 980 HB2 LEU 122 1HB LEU 122 61.821 14.147 -22.108 981 HB3 LEU 122 2HB LEU 122 61.258 13.081 -20.823 982 HG LEU 122 HG LEU 122 60.012 11.856 -22.757 983 HD11 LEU 122 1HD1 LEU 122 61.097 13.876 -24.245 984 HD12 LEU 122 2HD1 LEU 122 60.534 12.330 -24.877 985 HD13 LEU 122 3HD1 LEU 122 62.242 12.561 -24.506 986 HD21 LEU 122 3HD2 LEU 122 62.655 11.051 -23.253 987 HD22 LEU 122 1HD2 LEU 122 61.509 10.353 -22.109 988 HD23 LEU 122 2HD2 LEU 122 62.618 11.620 -21.584 Start of MODEL 20 1 H1 GLY 1 H GLY 1 18.752 24.760 69.899 2 HA2 GLY 1 1HA GLY 1 20.987 24.435 68.334 3 HA3 GLY 1 2HA GLY 1 20.579 22.812 68.871 4 H SER 2 H SER 2 19.816 25.379 66.730 5 HA SER 2 HA SER 2 17.453 23.923 65.751 6 HB2 SER 2 1HB SER 2 18.204 26.807 65.798 7 HB3 SER 2 2HB SER 2 17.241 26.234 64.436 8 HG SER 2 HG SER 2 15.876 25.260 66.185 9 HA PRO 3 HA PRO 3 19.399 22.855 61.969 10 HB2 PRO 3 1HB PRO 3 17.413 23.238 60.158 11 HB3 PRO 3 2HB PRO 3 17.409 21.907 61.321 12 HG2 PRO 3 1HG PRO 3 15.971 24.530 61.438 13 HG3 PRO 3 2HG PRO 3 15.377 22.909 61.844 14 HD2 PRO 3 1HD PRO 3 16.179 24.681 63.728 15 HD3 PRO 3 2HD PRO 3 16.374 22.927 63.922 16 H PHE 4 H PHE 4 20.590 23.731 60.334 17 HA PHE 4 HA PHE 4 20.023 26.492 59.518 18 HB2 PHE 4 1HB PHE 4 22.507 25.448 60.799 19 HB3 PHE 4 2HB PHE 4 22.674 26.661 59.534 20 HD1 PHE 4 HD1 PHE 4 21.142 28.770 59.809 21 HD2 PHE 4 HD2 PHE 4 22.224 26.137 62.973 22 HE1 PHE 4 HE1 PHE 4 20.661 30.544 61.445 23 HE2 PHE 4 HE2 PHE 4 21.744 27.906 64.614 24 HZ PHE 4 HZ PHE 4 20.961 30.113 63.851 25 H ALA 5 H ALA 5 21.369 27.120 57.579 26 HA ALA 5 HA ALA 5 21.636 24.796 55.785 27 HB1 ALA 5 1HB ALA 5 20.539 27.534 55.348 28 HB2 ALA 5 2HB ALA 5 21.276 26.674 53.996 29 HB3 ALA 5 3HB ALA 5 19.900 25.969 54.845 30 H ASP 6 H ASP 6 23.577 24.412 54.942 31 HA ASP 6 HA ASP 6 25.617 26.528 55.129 32 HB2 ASP 6 1HB ASP 6 27.160 24.394 54.870 33 HB3 ASP 6 2HB ASP 6 26.506 24.859 56.438 34 HA PRO 7 HA PRO 7 26.210 26.556 50.784 35 HB2 PRO 7 1HB PRO 7 28.905 26.800 50.563 36 HB3 PRO 7 2HB PRO 7 27.863 28.117 51.115 37 HG2 PRO 7 1HG PRO 7 29.521 26.212 52.723 38 HG3 PRO 7 2HG PRO 7 29.314 27.961 52.926 39 HD2 PRO 7 1HD PRO 7 27.997 26.152 54.450 40 HD3 PRO 7 2HD PRO 7 27.296 27.724 54.013 41 H ASN 8 H ASN 8 25.504 24.341 50.467 42 HA ASN 8 HA ASN 8 27.551 22.283 50.350 43 HB2 ASN 8 1HB ASN 8 25.045 22.035 51.099 44 HB3 ASN 8 2HB ASN 8 24.748 21.881 49.370 45 HD21 ASN 8 2HD2 ASN 8 25.761 20.326 52.197 46 HD22 ASN 8 1HD2 ASN 8 26.222 18.818 51.492 47 H SER 9 H SER 9 27.790 20.945 48.399 48 HA SER 9 HA SER 9 28.375 22.539 46.136 49 HB2 SER 9 1HB SER 9 28.139 19.529 46.139 50 HB3 SER 9 2HB SER 9 29.157 20.535 45.109 51 HG SER 9 HG SER 9 30.147 21.197 47.215 52 H LEU 10 H LEU 10 26.498 23.554 45.437 53 HA LEU 10 HA LEU 10 24.370 21.810 44.400 54 HB2 LEU 10 1HB LEU 10 23.928 23.729 46.067 55 HB3 LEU 10 2HB LEU 10 24.168 24.787 44.678 56 HG LEU 10 HG LEU 10 22.161 22.577 44.523 57 HD11 LEU 10 1HD1 LEU 10 21.522 25.292 45.646 58 HD12 LEU 10 2HD1 LEU 10 21.818 23.878 46.658 59 HD13 LEU 10 3HD1 LEU 10 20.467 23.883 45.524 60 HD21 LEU 10 3HD2 LEU 10 21.041 24.441 43.157 61 HD22 LEU 10 1HD2 LEU 10 22.457 23.644 42.473 62 HD23 LEU 10 2HD2 LEU 10 22.615 25.236 43.214 63 H ALA 11 H ALA 11 25.212 21.236 42.422 64 HA ALA 11 HA ALA 11 25.811 21.424 40.231 65 HB1 ALA 11 1HB ALA 11 24.166 23.946 40.396 66 HB2 ALA 11 2HB ALA 11 24.596 23.074 38.924 67 HB3 ALA 11 3HB ALA 11 23.533 22.324 40.116 68 H LEU 12 H LEU 12 27.872 22.156 41.771 69 HA LEU 12 HA LEU 12 28.888 24.743 41.466 70 HB2 LEU 12 1HB LEU 12 30.967 23.880 42.171 71 HB3 LEU 12 2HB LEU 12 29.728 22.943 43.004 72 HG LEU 12 HG LEU 12 30.135 21.308 40.943 73 HD11 LEU 12 1HD1 LEU 12 32.086 21.494 39.857 74 HD12 LEU 12 2HD1 LEU 12 32.957 22.012 41.300 75 HD13 LEU 12 3HD1 LEU 12 32.019 23.180 40.370 76 HD21 LEU 12 3HD2 LEU 12 30.936 19.943 42.524 77 HD22 LEU 12 1HD2 LEU 12 30.695 21.303 43.622 78 HD23 LEU 12 2HD2 LEU 12 32.281 21.019 42.905 79 H ALA 13 H ALA 13 30.230 25.701 39.973 80 HA ALA 13 HA ALA 13 30.878 24.184 37.546 81 HB1 ALA 13 1HB ALA 13 28.770 25.942 37.619 82 HB2 ALA 13 2HB ALA 13 30.083 26.928 36.973 83 HB3 ALA 13 3HB ALA 13 29.632 25.424 36.169 84 H ASN 14 H ASN 14 33.031 24.230 37.497 85 HA ASN 14 HA ASN 14 34.371 26.816 37.943 86 HB2 ASN 14 1HB ASN 14 36.369 25.295 38.621 87 HB3 ASN 14 2HB ASN 14 35.079 25.578 39.787 88 HD21 ASN 14 2HD2 ASN 14 34.925 23.776 40.926 89 HD22 ASN 14 1HD2 ASN 14 34.762 22.184 40.275 90 H VAL 15 H VAL 15 36.146 27.302 36.626 91 HA VAL 15 HA VAL 15 36.013 26.205 33.986 92 HB VAL 15 HB VAL 15 38.016 28.148 35.146 93 HG11 VAL 15 1HG1 VAL 15 38.768 27.011 33.086 94 HG12 VAL 15 2HG1 VAL 15 37.318 27.593 32.265 95 HG13 VAL 15 3HG1 VAL 15 38.517 28.742 32.859 96 HG21 VAL 15 3HG2 VAL 15 35.359 28.543 33.795 97 HG22 VAL 15 1HG2 VAL 15 35.898 29.154 35.359 98 HG23 VAL 15 2HG2 VAL 15 36.578 29.815 33.873 99 HA PRO 16 HA PRO 16 38.973 22.963 34.524 100 HB2 PRO 16 1HB PRO 16 39.390 22.433 31.894 101 HB3 PRO 16 2HB PRO 16 37.927 21.937 32.753 102 HG2 PRO 16 1HG PRO 16 38.364 24.295 30.961 103 HG3 PRO 16 2HG PRO 16 36.984 23.184 31.032 104 HD2 PRO 16 1HD PRO 16 36.940 25.638 32.177 105 HD3 PRO 16 2HD PRO 16 36.056 24.254 32.851 106 H LEU 17 H LEU 17 40.910 23.635 35.265 107 HA LEU 17 HA LEU 17 42.506 25.626 34.056 108 HB2 LEU 17 1HB LEU 17 44.194 25.021 35.645 109 HB3 LEU 17 2HB LEU 17 42.620 24.993 36.438 110 HG LEU 17 HG LEU 17 42.797 22.408 35.830 111 HD11 LEU 17 1HD1 LEU 17 44.786 21.795 35.069 112 HD12 LEU 17 2HD1 LEU 17 45.484 22.286 36.612 113 HD13 LEU 17 3HD1 LEU 17 45.419 23.428 35.270 114 HD21 LEU 17 3HD2 LEU 17 42.731 23.776 38.086 115 HD22 LEU 17 1HD2 LEU 17 44.417 23.266 38.171 116 HD23 LEU 17 2HD2 LEU 17 43.135 22.059 38.062 117 H SER 18 H SER 18 44.430 25.464 32.881 118 HA SER 18 HA SER 18 45.425 22.920 31.992 119 HB2 SER 18 1HB SER 18 44.353 24.715 29.823 120 HB3 SER 18 2HB SER 18 44.855 23.029 29.706 121 HG SER 18 HG SER 18 42.582 23.231 29.732 122 H ARG 19 H ARG 19 46.993 23.473 29.967 123 HA ARG 19 HA ARG 19 48.247 26.024 30.027 124 HB2 ARG 19 1HB ARG 19 50.456 25.107 30.938 125 HB3 ARG 19 2HB ARG 19 49.188 25.456 32.104 126 HG2 ARG 19 1HG ARG 19 48.586 23.052 32.096 127 HG3 ARG 19 2HG ARG 19 49.968 22.752 31.040 128 HD2 ARG 19 1HD ARG 19 50.422 22.310 33.445 129 HD3 ARG 19 2HD ARG 19 51.496 23.507 32.723 130 HE ARG 19 HE ARG 19 49.278 24.778 33.931 131 HH11 ARG 19 1HH1 ARG 19 52.247 23.135 34.708 132 HH12 ARG 19 2HH1 ARG 19 52.469 23.970 36.209 133 HH21 ARG 19 1HH2 ARG 19 49.559 25.884 35.906 134 HH22 ARG 19 2HH2 ARG 19 50.939 25.533 36.890 135 H SER 20 H SER 20 50.177 26.103 28.651 136 HA SER 20 HA SER 20 50.276 23.851 26.751 137 HB2 SER 20 1HB SER 20 50.933 25.799 25.099 138 HB3 SER 20 2HB SER 20 49.238 25.459 25.449 139 HG SER 20 HG SER 20 49.738 27.692 25.624 140 H LYS 21 H LYS 21 52.255 23.186 26.057 141 HA LYS 21 HA LYS 21 54.630 24.747 26.492 142 HB2 LYS 21 1HB LYS 21 55.730 23.217 28.019 143 HB3 LYS 21 2HB LYS 21 54.240 23.805 28.744 144 HG2 LYS 21 1HG LYS 21 54.030 21.608 29.247 145 HG3 LYS 21 2HG LYS 21 53.281 21.586 27.649 146 HD2 LYS 21 1HD LYS 21 55.150 20.631 26.649 147 HD3 LYS 21 2HD LYS 21 56.228 21.142 27.950 148 HE2 LYS 21 1HE LYS 21 54.017 19.163 28.411 149 HE3 LYS 21 2HE LYS 21 55.599 18.661 27.816 150 HZ1 LYS 21 3HZ LYS 21 56.210 18.585 29.935 151 HZ2 LYS 21 1HZ LYS 21 54.805 19.366 30.462 152 HZ3 LYS 21 2HZ LYS 21 56.140 20.275 29.959 153 H ARG 22 H ARG 22 56.416 23.963 25.362 154 HA ARG 22 HA ARG 22 56.331 21.384 24.078 155 HB2 ARG 22 1HB ARG 22 56.593 22.457 21.773 156 HB3 ARG 22 2HB ARG 22 54.977 22.433 22.465 157 HG2 ARG 22 1HG ARG 22 54.973 24.710 22.869 158 HG3 ARG 22 2HG ARG 22 56.734 24.819 22.839 159 HD2 ARG 22 1HD ARG 22 55.859 25.819 20.837 160 HD3 ARG 22 2HD ARG 22 56.675 24.314 20.413 161 HE ARG 22 HE ARG 22 53.867 23.968 20.841 162 HH11 ARG 22 1HH1 ARG 22 56.278 24.945 18.528 163 HH12 ARG 22 2HH1 ARG 22 55.297 24.569 17.151 164 HH21 ARG 22 1HH2 ARG 22 52.565 23.469 19.036 165 HH22 ARG 22 2HH2 ARG 22 53.185 23.730 17.440 166 HA PRO 23 HA PRO 23 60.534 23.147 25.023 167 HB2 PRO 23 1HB PRO 23 61.402 20.973 26.398 168 HB3 PRO 23 2HB PRO 23 60.511 22.297 27.157 169 HG2 PRO 23 1HG PRO 23 59.516 19.632 26.225 170 HG3 PRO 23 2HG PRO 23 59.137 20.507 27.720 171 HD2 PRO 23 1HD PRO 23 57.472 20.482 25.585 172 HD3 PRO 23 2HD PRO 23 57.600 21.874 26.680 173 H ASP 24 H ASP 24 62.596 22.384 24.273 174 HA ASP 24 HA ASP 24 62.865 19.923 22.861 175 HB2 ASP 24 1HB ASP 24 63.362 21.226 20.638 176 HB3 ASP 24 2HB ASP 24 61.710 20.768 21.043 177 H PHE 25 H PHE 25 64.968 20.083 21.418 178 HA PHE 25 HA PHE 25 66.924 21.936 22.501 179 HB2 PHE 25 1HB PHE 25 68.420 20.265 23.346 180 HB3 PHE 25 2HB PHE 25 66.846 19.979 24.080 181 HD1 PHE 25 HD2 PHE 25 65.325 18.261 22.810 182 HD2 PHE 25 HD1 PHE 25 69.558 18.494 22.426 183 HE1 PHE 25 HE2 PHE 25 65.377 15.933 22.017 184 HE2 PHE 25 HE1 PHE 25 69.617 16.166 21.632 185 HZ PHE 25 HZ PHE 25 67.525 14.882 21.427 186 H GLY 26 H GLY 26 68.855 22.053 21.276 187 HA2 GLY 26 1HA GLY 26 69.412 20.353 19.077 188 HA3 GLY 26 2HA GLY 26 68.560 21.787 18.523 189 H GLN 27 H GLN 27 71.552 20.476 19.524 190 HA GLN 27 HA GLN 27 72.788 23.144 19.543 191 HB2 GLN 27 1HB GLN 27 74.741 21.992 20.586 192 HB3 GLN 27 2HB GLN 27 73.274 21.924 21.554 193 HG2 GLN 27 1HG GLN 27 72.866 19.643 20.749 194 HG3 GLN 27 2HG GLN 27 74.366 19.715 19.825 195 HE21 GLN 27 2HE2 GLN 27 73.241 18.222 22.308 196 HE22 GLN 27 1HE2 GLN 27 74.570 18.267 23.410 197 H ARG 28 H ARG 28 74.163 23.732 17.975 198 HA ARG 28 HA ARG 28 75.099 21.660 16.104 199 HB2 ARG 28 1HB ARG 28 73.354 22.821 14.959 200 HB3 ARG 28 2HB ARG 28 73.968 24.385 15.479 201 HG2 ARG 28 1HG ARG 28 74.470 24.004 13.144 202 HG3 ARG 28 2HG ARG 28 75.957 24.063 14.092 203 HD2 ARG 28 1HD ARG 28 75.841 22.237 12.362 204 HD3 ARG 28 2HD ARG 28 76.212 21.709 14.003 205 HE ARG 28 HE ARG 28 73.413 21.602 13.334 206 HH11 ARG 28 1HH1 ARG 28 76.452 19.904 13.289 207 HH12 ARG 28 2HH1 ARG 28 75.722 18.333 13.229 208 HH21 ARG 28 1HH2 ARG 28 72.441 19.540 13.256 209 HH22 ARG 28 2HH2 ARG 28 73.441 18.127 13.210 210 H ARG 29 H ARG 29 77.156 21.535 16.942 211 HA ARG 29 HA ARG 29 78.719 23.901 17.443 212 HB2 ARG 29 1HB ARG 29 79.115 20.967 17.711 213 HB3 ARG 29 2HB ARG 29 80.557 21.957 17.532 214 HG2 ARG 29 1HG ARG 29 79.351 23.368 19.433 215 HG3 ARG 29 2HG ARG 29 78.631 21.792 19.771 216 HD2 ARG 29 1HD ARG 29 81.594 22.192 19.452 217 HD3 ARG 29 2HD ARG 29 80.776 22.353 21.005 218 HE ARG 29 HE ARG 29 79.994 19.911 20.062 219 HH11 ARG 29 1HH1 ARG 29 83.051 21.448 20.704 220 HH12 ARG 29 2HH1 ARG 29 83.863 19.967 21.091 221 HH21 ARG 29 1HH2 ARG 29 81.052 17.955 20.569 222 HH22 ARG 29 2HH2 ARG 29 82.725 17.981 21.013 223 H ILE 30 H ILE 30 80.467 24.657 16.267 224 HA ILE 30 HA ILE 30 80.731 23.566 13.541 225 HB ILE 30 HB ILE 30 81.156 26.451 14.309 226 HG12 ILE 30 1HG1 ILE 30 78.802 25.848 14.645 227 HG13 ILE 30 2HG1 ILE 30 78.985 26.907 13.252 228 HG21 ILE 30 1HG2 ILE 30 80.767 26.619 11.742 229 HG22 ILE 30 2HG2 ILE 30 82.340 26.113 12.358 230 HG23 ILE 30 3HG2 ILE 30 81.202 24.910 11.751 231 HD11 ILE 30 3HD1 ILE 30 79.168 24.337 12.216 232 HD12 ILE 30 1HD1 ILE 30 77.878 24.257 13.415 233 HD13 ILE 30 2HD1 ILE 30 77.794 25.437 12.106 234 H ARG 31 H ARG 31 82.799 23.605 12.586 235 HA ARG 31 HA ARG 31 84.946 23.213 14.450 236 HB2 ARG 31 1HB ARG 31 84.928 21.754 12.584 237 HB3 ARG 31 2HB ARG 31 84.748 23.084 11.448 238 HG2 ARG 31 1HG ARG 31 86.952 23.475 11.361 239 HG3 ARG 31 2HG ARG 31 87.172 23.202 13.091 240 HD2 ARG 31 1HD ARG 31 87.327 20.879 12.817 241 HD3 ARG 31 2HD ARG 31 86.634 20.937 11.197 242 HE ARG 31 HE ARG 31 89.380 21.248 11.896 243 HH11 ARG 31 1HH1 ARG 31 86.941 22.238 9.618 244 HH12 ARG 31 2HH1 ARG 31 88.074 22.562 8.347 245 HH21 ARG 31 1HH2 ARG 31 90.881 21.671 10.232 246 HH22 ARG 31 2HH2 ARG 31 90.315 22.238 8.697 247 H ARG 32 H ARG 32 85.031 25.141 11.465 248 HA ARG 32 HA ARG 32 86.700 27.102 12.867 249 HB2 ARG 32 1HB ARG 32 87.655 26.134 10.835 250 HB3 ARG 32 2HB ARG 32 86.254 26.659 9.910 251 HG2 ARG 32 1HG ARG 32 87.637 28.363 9.389 252 HG3 ARG 32 2HG ARG 32 87.004 29.019 10.900 253 HD2 ARG 32 1HD ARG 32 89.328 29.280 11.063 254 HD3 ARG 32 2HD ARG 32 88.967 27.852 12.033 255 HE ARG 32 HE ARG 32 89.619 27.153 9.354 256 HH11 ARG 32 1HH1 ARG 32 91.010 28.133 12.391 257 HH12 ARG 32 2HH1 ARG 32 92.535 27.369 12.088 258 HH21 ARG 32 1HH2 ARG 32 91.622 26.142 8.944 259 HH22 ARG 32 2HH2 ARG 32 92.882 26.237 10.127 260 HA PRO 33 HA PRO 33 83.364 29.992 12.950 261 HB2 PRO 33 1HB PRO 33 84.823 32.231 13.426 262 HB3 PRO 33 2HB PRO 33 84.503 31.012 14.665 263 HG2 PRO 33 1HG PRO 33 86.947 31.406 12.981 264 HG3 PRO 33 2HG PRO 33 86.828 31.038 14.712 265 HD2 PRO 33 1HD PRO 33 87.373 29.145 12.853 266 HD3 PRO 33 2HD PRO 33 86.464 28.793 14.337 267 H PHE 34 H PHE 34 82.389 31.508 11.633 268 HA PHE 34 HA PHE 34 83.851 32.196 9.168 269 HB2 PHE 34 1HB PHE 34 81.403 32.384 8.252 270 HB3 PHE 34 2HB PHE 34 82.168 30.805 8.393 271 HD1 PHE 34 HD1 PHE 34 80.351 33.078 10.734 272 HD2 PHE 34 HD2 PHE 34 80.709 29.179 9.065 273 HE1 PHE 34 HE1 PHE 34 78.488 32.307 12.145 274 HE2 PHE 34 HE2 PHE 34 78.846 28.402 10.473 275 HZ PHE 34 HZ PHE 34 77.733 29.967 12.014 276 H THR 35 H THR 35 83.056 34.190 8.082 277 HA THR 35 HA THR 35 82.441 36.245 10.099 278 HB THR 35 HB THR 35 83.578 36.907 7.407 279 HG1 THR 35 HG1 THR 35 85.180 36.234 9.660 280 HG21 THR 35 3HG2 THR 35 84.653 38.715 8.759 281 HG22 THR 35 1HG2 THR 35 83.753 38.133 10.160 282 HG23 THR 35 2HG2 THR 35 82.890 38.768 8.759 283 H VAL 36 H VAL 36 81.149 38.091 9.380 284 HA VAL 36 HA VAL 36 78.679 37.402 8.372 285 HB VAL 36 HB VAL 36 78.980 39.463 9.589 286 HG11 VAL 36 1HG1 VAL 36 80.439 40.580 7.204 287 HG12 VAL 36 2HG1 VAL 36 80.191 41.343 8.776 288 HG13 VAL 36 3HG1 VAL 36 81.253 39.942 8.632 289 HG21 VAL 36 3HG2 VAL 36 78.180 40.798 7.160 290 HG22 VAL 36 1HG2 VAL 36 77.463 39.191 7.268 291 HG23 VAL 36 2HG2 VAL 36 77.215 40.356 8.568 292 H ALA 37 H ALA 37 81.526 38.528 6.640 293 HA ALA 37 HA ALA 37 80.243 38.921 4.136 294 HB1 ALA 37 1HB ALA 37 82.637 39.634 5.091 295 HB2 ALA 37 2HB ALA 37 83.111 38.205 4.170 296 HB3 ALA 37 3HB ALA 37 82.281 39.537 3.366 297 H GLU 38 H GLU 38 82.184 36.247 5.456 298 HA GLU 38 HA GLU 38 82.055 34.594 3.192 299 HB2 GLU 38 1HB GLU 38 83.643 34.230 5.027 300 HB3 GLU 38 2HB GLU 38 82.316 33.813 6.101 301 HG2 GLU 38 1HG GLU 38 82.824 31.712 5.538 302 HG3 GLU 38 2HG GLU 38 81.895 32.066 4.082 303 H VAL 39 H VAL 39 80.040 34.650 6.123 304 HA VAL 39 HA VAL 39 78.328 32.546 5.385 305 HB VAL 39 HB VAL 39 77.741 34.913 7.169 306 HG11 VAL 39 1HG1 VAL 39 76.042 32.841 6.211 307 HG12 VAL 39 2HG1 VAL 39 76.314 32.591 7.936 308 HG13 VAL 39 3HG1 VAL 39 75.674 34.130 7.357 309 HG21 VAL 39 3HG2 VAL 39 78.244 32.299 8.380 310 HG22 VAL 39 1HG2 VAL 39 79.636 32.978 7.537 311 HG23 VAL 39 2HG2 VAL 39 78.854 33.892 8.826 312 H GLU 40 H GLU 40 78.230 36.004 4.725 313 HA GLU 40 HA GLU 40 75.612 36.098 3.675 314 HB2 GLU 40 1HB GLU 40 78.019 37.855 3.538 315 HB3 GLU 40 2HB GLU 40 76.713 38.147 2.399 316 HG2 GLU 40 1HG GLU 40 75.188 38.653 4.098 317 HG3 GLU 40 2HG GLU 40 76.210 37.942 5.345 318 H LEU 41 H LEU 41 78.777 35.728 2.104 319 HA LEU 41 HA LEU 41 77.868 35.648 -0.540 320 HB2 LEU 41 1HB LEU 41 80.257 34.318 0.726 321 HB3 LEU 41 2HB LEU 41 79.988 34.441 -1.011 322 HG LEU 41 HG LEU 41 80.135 36.901 0.696 323 HD11 LEU 41 1HD1 LEU 41 82.307 35.048 0.031 324 HD12 LEU 41 2HD1 LEU 41 82.221 36.306 1.263 325 HD13 LEU 41 3HD1 LEU 41 82.612 36.730 -0.403 326 HD21 LEU 41 3HD2 LEU 41 81.310 37.020 -1.924 327 HD22 LEU 41 1HD2 LEU 41 79.973 37.953 -1.252 328 HD23 LEU 41 2HD2 LEU 41 79.663 36.393 -2.015 329 H LEU 42 H LEU 42 78.464 32.998 1.753 330 HA LEU 42 HA LEU 42 77.844 30.864 0.081 331 HB2 LEU 42 1HB LEU 42 78.857 30.527 2.238 332 HB3 LEU 42 2HB LEU 42 77.436 31.180 3.050 333 HG LEU 42 HG LEU 42 77.100 28.758 1.352 334 HD11 LEU 42 1HD1 LEU 42 79.058 28.134 2.559 335 HD12 LEU 42 2HD1 LEU 42 77.680 27.357 3.337 336 HD13 LEU 42 3HD1 LEU 42 78.410 28.789 4.063 337 HD21 LEU 42 3HD2 LEU 42 75.074 29.192 2.231 338 HD22 LEU 42 1HD2 LEU 42 75.738 30.139 3.563 339 HD23 LEU 42 2HD2 LEU 42 75.731 28.378 3.652 340 H VAL 43 H VAL 43 75.689 32.577 2.346 341 HA VAL 43 HA VAL 43 73.343 31.209 1.793 342 HB VAL 43 HB VAL 43 73.634 34.140 2.472 343 HG11 VAL 43 1HG1 VAL 43 71.311 32.443 1.994 344 HG12 VAL 43 2HG1 VAL 43 71.274 33.255 3.560 345 HG13 VAL 43 3HG1 VAL 43 71.434 34.200 2.079 346 HG21 VAL 43 3HG2 VAL 43 72.789 32.304 4.572 347 HG22 VAL 43 1HG2 VAL 43 74.410 31.966 3.965 348 HG23 VAL 43 2HG2 VAL 43 74.021 33.565 4.599 349 H GLU 44 H GLU 44 74.763 33.987 0.122 350 HA GLU 44 HA GLU 44 72.607 34.456 -1.637 351 HB2 GLU 44 1HB GLU 44 74.573 35.995 -1.126 352 HB3 GLU 44 2HB GLU 44 75.505 35.017 -2.252 353 HG2 GLU 44 1HG GLU 44 73.669 35.523 -3.946 354 HG3 GLU 44 2HG GLU 44 73.138 36.766 -2.814 355 H ALA 45 H ALA 45 75.336 32.267 -1.745 356 HA ALA 45 HA ALA 45 75.186 31.572 -4.475 357 HB1 ALA 45 1HB ALA 45 76.485 29.581 -3.829 358 HB2 ALA 45 2HB ALA 45 77.152 31.069 -3.157 359 HB3 ALA 45 3HB ALA 45 76.219 29.980 -2.132 360 H VAL 46 H VAL 46 73.845 29.987 -1.581 361 HA VAL 46 HA VAL 46 72.439 28.011 -3.108 362 HB VAL 46 HB VAL 46 73.041 27.324 -0.938 363 HG11 VAL 46 1HG1 VAL 46 71.843 29.923 -0.023 364 HG12 VAL 46 2HG1 VAL 46 72.171 28.594 1.092 365 HG13 VAL 46 3HG1 VAL 46 73.492 29.336 0.189 366 HG21 VAL 46 3HG2 VAL 46 70.953 26.713 0.084 367 HG22 VAL 46 1HG2 VAL 46 70.118 28.034 -0.733 368 HG23 VAL 46 2HG2 VAL 46 70.752 26.680 -1.668 369 H GLU 47 H GLU 47 71.668 31.132 -1.715 370 HA GLU 47 HA GLU 47 68.844 30.919 -2.006 371 HB2 GLU 47 1HB GLU 47 69.644 32.510 -0.436 372 HB3 GLU 47 2HB GLU 47 70.706 33.256 -1.622 373 HG2 GLU 47 1HG GLU 47 68.594 34.511 -0.997 374 HG3 GLU 47 2HG GLU 47 68.936 34.315 -2.715 375 H HIS 48 H HIS 48 71.428 32.283 -3.996 376 HA HIS 48 HA HIS 48 69.878 33.518 -5.950 377 HB2 HIS 48 1HB HIS 48 72.334 33.760 -5.752 378 HB3 HIS 48 2HB HIS 48 72.529 32.111 -6.339 379 HD1 HIS 48 HD1 HIS 48 72.545 35.488 -7.498 380 HD2 HIS 48 HD2 HIS 48 71.299 31.851 -9.073 381 HE1 HIS 48 HE1 HIS 48 72.407 35.844 -9.984 382 H LEU 49 H LEU 49 70.800 30.147 -5.570 383 HA LEU 49 HA LEU 49 69.295 29.473 -8.003 384 HB2 LEU 49 1HB LEU 49 71.080 27.626 -6.443 385 HB3 LEU 49 2HB LEU 49 70.488 27.433 -8.092 386 HG LEU 49 HG LEU 49 72.199 29.790 -7.580 387 HD11 LEU 49 1HD1 LEU 49 73.212 26.961 -7.448 388 HD12 LEU 49 2HD1 LEU 49 73.458 28.264 -6.285 389 HD13 LEU 49 3HD1 LEU 49 74.237 28.335 -7.866 390 HD21 LEU 49 3HD2 LEU 49 72.377 27.724 -9.754 391 HD22 LEU 49 1HD2 LEU 49 72.913 29.405 -9.782 392 HD23 LEU 49 2HD2 LEU 49 71.189 29.028 -9.793 393 H GLY 50 H GLY 50 68.689 29.841 -4.858 394 HA2 GLY 50 1HA GLY 50 67.183 28.959 -3.360 395 HA3 GLY 50 2HA GLY 50 66.259 28.549 -4.798 396 H THR 51 H THR 51 66.041 26.457 -5.367 397 HA THR 51 HA THR 51 67.609 24.479 -3.841 398 HB THR 51 HB THR 51 65.664 22.987 -3.870 399 HG1 THR 51 HG1 THR 51 64.039 25.120 -4.747 400 HG21 THR 51 3HG2 THR 51 65.138 23.879 -1.900 401 HG22 THR 51 1HG2 THR 51 64.196 25.131 -2.708 402 HG23 THR 51 2HG2 THR 51 65.909 25.391 -2.379 403 H GLY 52 H GLY 52 68.716 25.218 -6.139 404 HA2 GLY 52 1HA GLY 52 67.810 23.347 -8.214 405 HA3 GLY 52 2HA GLY 52 68.923 24.685 -8.454 406 H ARG 53 H ARG 53 70.885 23.993 -8.948 407 HA ARG 53 HA ARG 53 71.784 21.393 -7.964 408 HB2 ARG 53 1HB ARG 53 73.024 23.242 -10.011 409 HB3 ARG 53 2HB ARG 53 73.593 21.626 -9.613 410 HG2 ARG 53 1HG ARG 53 72.383 21.201 -11.503 411 HG3 ARG 53 2HG ARG 53 71.153 20.937 -10.265 412 HD2 ARG 53 1HD ARG 53 70.042 22.887 -10.759 413 HD3 ARG 53 2HD ARG 53 71.484 23.668 -11.409 414 HE ARG 53 HE ARG 53 70.821 21.528 -13.079 415 HH11 ARG 53 1HH1 ARG 53 69.547 24.619 -12.109 416 HH12 ARG 53 2HH1 ARG 53 68.715 24.892 -13.604 417 HH21 ARG 53 1HH2 ARG 53 69.731 21.875 -15.052 418 HH22 ARG 53 2HH2 ARG 53 68.820 23.330 -15.277 419 H TRP 54 H TRP 54 73.540 21.103 -6.661 420 HA TRP 54 HA TRP 54 74.311 23.283 -4.995 421 HB2 TRP 54 1HB TRP 54 76.064 21.419 -4.259 422 HB3 TRP 54 2HB TRP 54 74.369 21.340 -3.784 423 HD1 TRP 54 HD1 TRP 54 72.985 19.292 -4.607 424 HE1 TRP 54 HE1 TRP 54 73.537 17.197 -5.997 425 HE3 TRP 54 HE3 TRP 54 77.614 20.641 -6.305 426 HZ2 TRP 54 HZ2 TRP 54 75.654 16.242 -7.600 427 HZ3 TRP 54 HZ3 TRP 54 78.837 19.080 -7.762 428 HH2 TRP 54 HH2 TRP 54 77.876 16.926 -8.395 429 H ARG 55 H ARG 55 75.697 21.710 -7.783 430 HA ARG 55 HA ARG 55 78.349 22.564 -7.550 431 HB2 ARG 55 1HB ARG 55 78.437 22.287 -10.025 432 HB3 ARG 55 2HB ARG 55 77.749 20.904 -9.184 433 HG2 ARG 55 1HG ARG 55 76.161 21.047 -10.756 434 HG3 ARG 55 2HG ARG 55 75.513 22.322 -9.723 435 HD2 ARG 55 1HD ARG 55 77.163 23.829 -11.106 436 HD3 ARG 55 2HD ARG 55 77.018 22.528 -12.287 437 HE ARG 55 HE ARG 55 74.464 23.368 -11.382 438 HH11 ARG 55 1HH1 ARG 55 77.098 24.289 -13.464 439 HH12 ARG 55 2HH1 ARG 55 76.099 25.214 -14.536 440 HH21 ARG 55 1HH2 ARG 55 73.139 24.582 -12.786 441 HH22 ARG 55 2HH2 ARG 55 73.848 25.381 -14.148 442 H ASP 56 H ASP 56 75.545 24.137 -9.040 443 HA ASP 56 HA ASP 56 76.930 26.384 -10.038 444 HB2 ASP 56 1HB ASP 56 74.567 25.567 -10.626 445 HB3 ASP 56 2HB ASP 56 74.044 26.421 -9.176 446 H VAL 57 H VAL 57 75.702 25.576 -6.893 447 HA VAL 57 HA VAL 57 75.617 28.191 -5.805 448 HB VAL 57 HB VAL 57 75.988 25.535 -4.414 449 HG11 VAL 57 1HG1 VAL 57 75.432 26.628 -2.368 450 HG12 VAL 57 2HG1 VAL 57 76.754 27.533 -3.109 451 HG13 VAL 57 3HG1 VAL 57 75.103 28.147 -3.202 452 HG21 VAL 57 3HG2 VAL 57 73.880 25.933 -5.777 453 HG22 VAL 57 1HG2 VAL 57 73.655 25.506 -4.080 454 HG23 VAL 57 2HG2 VAL 57 73.479 27.183 -4.599 455 H LYS 58 H LYS 58 78.071 25.619 -5.607 456 HA LYS 58 HA LYS 58 79.943 27.107 -4.119 457 HB2 LYS 58 1HB LYS 58 80.001 24.645 -4.353 458 HB3 LYS 58 2HB LYS 58 80.455 24.829 -6.042 459 HG2 LYS 58 1HG LYS 58 82.592 25.018 -5.501 460 HG3 LYS 58 2HG LYS 58 82.241 26.338 -4.382 461 HD2 LYS 58 1HD LYS 58 82.248 24.979 -2.572 462 HD3 LYS 58 2HD LYS 58 81.525 23.630 -3.452 463 HE2 LYS 58 1HE LYS 58 84.300 24.423 -4.156 464 HE3 LYS 58 2HE LYS 58 84.047 23.593 -2.621 465 HZ1 LYS 58 3HZ LYS 58 83.741 22.595 -5.346 466 HZ2 LYS 58 1HZ LYS 58 82.647 22.017 -4.192 467 HZ3 LYS 58 2HZ LYS 58 84.309 21.806 -3.962 468 H PHE 59 H PHE 59 79.363 26.800 -7.572 469 HA PHE 59 HA PHE 59 81.729 28.211 -8.350 470 HB2 PHE 59 1HB PHE 59 79.275 27.233 -9.759 471 HB3 PHE 59 2HB PHE 59 80.327 28.392 -10.566 472 HD1 PHE 59 HD2 PHE 59 80.932 25.386 -8.437 473 HD2 PHE 59 HD1 PHE 59 81.638 27.368 -12.136 474 HE1 PHE 59 HE2 PHE 59 82.412 23.549 -9.134 475 HE2 PHE 59 HE1 PHE 59 83.120 25.534 -12.840 476 HZ PHE 59 HZ PHE 59 83.510 23.622 -11.338 477 H ARG 60 H ARG 60 78.298 29.057 -8.051 478 HA ARG 60 HA ARG 60 78.653 31.758 -8.891 479 HB2 ARG 60 1HB ARG 60 76.489 30.738 -9.139 480 HB3 ARG 60 2HB ARG 60 76.407 30.377 -7.420 481 HG2 ARG 60 1HG ARG 60 75.682 32.429 -6.897 482 HG3 ARG 60 2HG ARG 60 76.769 33.215 -8.043 483 HD2 ARG 60 1HD ARG 60 74.177 31.825 -8.713 484 HD3 ARG 60 2HD ARG 60 74.436 33.568 -8.660 485 HE ARG 60 HE ARG 60 75.208 31.757 -10.763 486 HH11 ARG 60 1HH1 ARG 60 75.773 34.853 -9.275 487 HH12 ARG 60 2HH1 ARG 60 76.459 35.559 -10.701 488 HH21 ARG 60 1HH2 ARG 60 76.110 32.675 -12.646 489 HH22 ARG 60 2HH2 ARG 60 76.649 34.320 -12.618 490 H ALA 61 H ALA 61 78.925 30.083 -5.867 491 HA ALA 61 HA ALA 61 78.550 32.139 -4.038 492 HB1 ALA 61 1HB ALA 61 80.040 30.846 -2.545 493 HB2 ALA 61 2HB ALA 61 78.803 29.854 -3.319 494 HB3 ALA 61 3HB ALA 61 80.464 29.814 -3.911 495 H PHE 62 H PHE 62 81.652 31.052 -5.433 496 HA PHE 62 HA PHE 62 82.598 33.764 -5.618 497 HB2 PHE 62 1HB PHE 62 84.707 33.046 -4.224 498 HB3 PHE 62 2HB PHE 62 83.272 33.658 -3.409 499 HD1 PHE 62 HD2 PHE 62 81.790 32.139 -2.194 500 HD2 PHE 62 HD1 PHE 62 85.392 30.767 -4.001 501 HE1 PHE 62 HE2 PHE 62 81.674 30.080 -0.853 502 HE2 PHE 62 HE1 PHE 62 85.281 28.705 -2.663 503 HZ PHE 62 HZ PHE 62 83.422 28.359 -1.086 504 H GLU 63 H GLU 63 83.564 30.344 -5.599 505 HA GLU 63 HA GLU 63 84.998 29.161 -6.926 506 HB2 GLU 63 1HB GLU 63 83.033 29.702 -8.439 507 HB3 GLU 63 2HB GLU 63 84.021 30.987 -9.119 508 HG2 GLU 63 1HG GLU 63 85.722 28.921 -9.352 509 HG3 GLU 63 2HG GLU 63 84.183 28.073 -9.488 510 H ASN 64 H ASN 64 86.144 31.464 -5.619 511 HA ASN 64 HA ASN 64 88.483 31.781 -7.329 512 HB2 ASN 64 1HB ASN 64 86.879 33.749 -7.668 513 HB3 ASN 64 2HB ASN 64 87.270 34.209 -6.014 514 HD21 ASN 64 2HD2 ASN 64 88.416 33.954 -9.268 515 HD22 ASN 64 1HD2 ASN 64 89.876 34.851 -9.045 516 H VAL 65 H VAL 65 86.958 32.366 -4.194 517 HA VAL 65 HA VAL 65 89.560 32.489 -2.883 518 HB VAL 65 HB VAL 65 88.295 32.974 -0.833 519 HG11 VAL 65 1HG1 VAL 65 86.948 34.884 -2.541 520 HG12 VAL 65 2HG1 VAL 65 88.271 35.128 -1.399 521 HG13 VAL 65 3HG1 VAL 65 88.614 34.611 -3.050 522 HG21 VAL 65 3HG2 VAL 65 85.871 33.301 -0.924 523 HG22 VAL 65 1HG2 VAL 65 85.859 32.748 -2.599 524 HG23 VAL 65 2HG2 VAL 65 86.307 31.636 -1.306 525 H HIS 66 H HIS 66 89.300 31.334 -0.530 526 HA HIS 66 HA HIS 66 89.751 28.646 -0.928 527 HB2 HIS 66 1HB HIS 66 89.023 30.280 1.464 528 HB3 HIS 66 2HB HIS 66 89.012 28.525 1.611 529 HD1 HIS 66 HD1 HIS 66 91.037 30.411 3.101 530 HD2 HIS 66 HD2 HIS 66 91.806 28.331 -0.412 531 HE1 HIS 66 HE1 HIS 66 93.538 30.163 3.001 532 H HIS 67 H HIS 67 88.449 27.118 -1.671 533 HA HIS 67 HA HIS 67 85.568 27.313 -1.134 534 HB2 HIS 67 1HB HIS 67 85.224 25.900 -3.048 535 HB3 HIS 67 2HB HIS 67 86.342 27.179 -3.514 536 HD1 HIS 67 HD1 HIS 67 86.203 23.492 -2.827 537 HD2 HIS 67 HD2 HIS 67 88.884 26.331 -4.248 538 HE1 HIS 67 HE1 HIS 67 88.133 22.183 -3.769 539 H ARG 68 H ARG 68 84.406 25.561 -0.325 540 HA ARG 68 HA ARG 68 86.049 23.580 1.093 541 HB2 ARG 68 1HB ARG 68 83.566 25.029 1.727 542 HB3 ARG 68 2HB ARG 68 83.546 23.322 2.152 543 HG2 ARG 68 1HG ARG 68 85.975 24.760 2.949 544 HG3 ARG 68 2HG ARG 68 84.492 25.295 3.741 545 HD2 ARG 68 1HD ARG 68 84.260 22.573 3.854 546 HD3 ARG 68 2HD ARG 68 85.998 22.804 4.041 547 HE ARG 68 HE ARG 68 84.932 24.587 5.781 548 HH11 ARG 68 1HH1 ARG 68 84.502 21.172 5.265 549 HH12 ARG 68 2HH1 ARG 68 84.144 20.833 6.926 550 HH21 ARG 68 1HH2 ARG 68 84.463 24.154 7.971 551 HH22 ARG 68 2HH2 ARG 68 84.122 22.530 8.464 552 H THR 69 H THR 69 82.648 23.504 0.080 553 HA THR 69 HA THR 69 82.999 21.539 -1.932 554 HB THR 69 HB THR 69 81.448 20.063 -0.054 555 HG1 THR 69 HG1 THR 69 83.434 19.691 1.364 556 HG21 THR 69 3HG2 THR 69 83.084 19.474 -2.066 557 HG22 THR 69 1HG2 THR 69 82.730 18.317 -0.784 558 HG23 THR 69 2HG2 THR 69 84.224 19.253 -0.740 559 H TYR 70 H TYR 70 81.093 21.092 -3.038 560 HA TYR 70 HA TYR 70 79.122 23.008 -3.092 561 HB2 TYR 70 1HB TYR 70 78.484 20.167 -3.826 562 HB3 TYR 70 2HB TYR 70 77.980 21.654 -4.621 563 HD1 TYR 70 HD2 TYR 70 79.726 22.987 -5.893 564 HD2 TYR 70 HD1 TYR 70 80.404 19.012 -4.537 565 HE1 TYR 70 HE2 TYR 70 81.575 22.760 -7.500 566 HE2 TYR 70 HE1 TYR 70 82.255 18.774 -6.139 567 HH TYR 70 HH TYR 70 82.948 21.257 -8.526 568 H VAL 71 H VAL 71 78.644 19.705 -1.823 569 HA VAL 71 HA VAL 71 76.172 20.162 -0.630 570 HB VAL 71 HB VAL 71 77.147 17.916 -0.982 571 HG11 VAL 71 1HG1 VAL 71 79.419 18.713 -0.021 572 HG12 VAL 71 2HG1 VAL 71 78.725 18.255 1.536 573 HG13 VAL 71 3HG1 VAL 71 78.899 17.051 0.259 574 HG21 VAL 71 3HG2 VAL 71 75.616 17.221 0.470 575 HG22 VAL 71 1HG2 VAL 71 76.696 17.582 1.817 576 HG23 VAL 71 2HG2 VAL 71 75.607 18.825 1.203 577 H ASP 72 H ASP 72 79.387 20.906 0.485 578 HA ASP 72 HA ASP 72 78.885 21.221 3.223 579 HB2 ASP 72 1HB ASP 72 81.126 21.274 1.903 580 HB3 ASP 72 2HB ASP 72 80.800 22.998 1.741 581 H LEU 73 H LEU 73 78.661 23.548 0.554 582 HA LEU 73 HA LEU 73 77.891 25.741 2.184 583 HB2 LEU 73 1HB LEU 73 77.163 25.481 -0.709 584 HB3 LEU 73 2HB LEU 73 77.571 26.932 0.204 585 HG LEU 73 HG LEU 73 79.426 24.824 -0.871 586 HD11 LEU 73 1HD1 LEU 73 80.386 26.591 -2.106 587 HD12 LEU 73 2HD1 LEU 73 79.516 27.813 -1.179 588 HD13 LEU 73 3HD1 LEU 73 78.640 26.760 -2.290 589 HD21 LEU 73 3HD2 LEU 73 80.596 25.102 1.030 590 HD22 LEU 73 1HD2 LEU 73 79.751 26.590 1.457 591 HD23 LEU 73 2HD2 LEU 73 81.072 26.632 0.290 592 H LYS 74 H LYS 74 76.060 23.468 0.162 593 HA LYS 74 HA LYS 74 73.519 24.568 0.579 594 HB2 LYS 74 1HB LYS 74 74.260 22.744 -1.080 595 HB3 LYS 74 2HB LYS 74 74.013 21.617 0.247 596 HG2 LYS 74 1HG LYS 74 72.048 21.616 -1.091 597 HG3 LYS 74 2HG LYS 74 71.668 22.446 0.420 598 HD2 LYS 74 1HD LYS 74 71.909 24.600 -0.672 599 HD3 LYS 74 2HD LYS 74 72.388 23.809 -2.176 600 HE2 LYS 74 1HE LYS 74 69.716 23.538 -0.799 601 HE3 LYS 74 2HE LYS 74 70.045 24.501 -2.238 602 HZ1 LYS 74 3HZ LYS 74 69.842 21.595 -1.954 603 HZ2 LYS 74 1HZ LYS 74 70.913 22.203 -3.114 604 HZ3 LYS 74 2HZ LYS 74 69.271 22.602 -3.189 605 H ASP 75 H ASP 75 75.184 21.945 2.313 606 HA ASP 75 HA ASP 75 73.120 21.475 4.179 607 HB2 ASP 75 1HB ASP 75 75.330 20.125 3.565 608 HB3 ASP 75 2HB ASP 75 75.960 21.003 4.956 609 H LYS 76 H LYS 76 75.891 23.646 4.180 610 HA LYS 76 HA LYS 76 75.807 24.444 6.862 611 HB2 LYS 76 1HB LYS 76 77.664 24.954 5.308 612 HB3 LYS 76 2HB LYS 76 76.624 26.090 4.460 613 HG2 LYS 76 1HG LYS 76 76.815 27.674 6.059 614 HG3 LYS 76 2HG LYS 76 76.920 26.497 7.370 615 HD2 LYS 76 1HD LYS 76 79.233 25.997 6.053 616 HD3 LYS 76 2HD LYS 76 79.048 27.726 5.748 617 HE2 LYS 76 1HE LYS 76 79.172 28.266 7.993 618 HE3 LYS 76 2HE LYS 76 78.678 26.656 8.513 619 HZ1 LYS 76 3HZ LYS 76 80.847 26.373 8.901 620 HZ2 LYS 76 1HZ LYS 76 81.311 27.669 7.916 621 HZ3 LYS 76 2HZ LYS 76 80.988 26.158 7.229 622 H TRP 77 H TRP 77 74.104 25.683 4.021 623 HA TRP 77 HA TRP 77 72.886 27.879 5.331 624 HB2 TRP 77 1HB TRP 77 72.986 27.962 2.962 625 HB3 TRP 77 2HB TRP 77 72.233 26.378 2.799 626 HD1 TRP 77 HD1 TRP 77 71.244 29.900 4.109 627 HE1 TRP 77 HE1 TRP 77 68.763 30.283 3.540 628 HE3 TRP 77 HE3 TRP 77 70.181 25.358 2.017 629 HZ2 TRP 77 HZ2 TRP 77 66.637 28.849 2.361 630 HZ3 TRP 77 HZ3 TRP 77 67.899 24.944 1.194 631 HH2 TRP 77 HH2 TRP 77 66.165 26.655 1.363 632 H LYS 78 H LYS 78 71.660 24.646 4.483 633 HA LYS 78 HA LYS 78 69.101 24.891 5.527 634 HB2 LYS 78 1HB LYS 78 69.661 22.986 4.188 635 HB3 LYS 78 2HB LYS 78 70.914 22.487 5.316 636 HG2 LYS 78 1HG LYS 78 69.431 21.567 6.777 637 HG3 LYS 78 2HG LYS 78 68.134 22.681 6.334 638 HD2 LYS 78 1HD LYS 78 67.459 20.598 5.484 639 HD3 LYS 78 2HD LYS 78 68.091 21.472 4.087 640 HE2 LYS 78 1HE LYS 78 70.174 20.272 4.220 641 HE3 LYS 78 2HE LYS 78 69.677 19.496 5.723 642 HZ1 LYS 78 3HZ LYS 78 67.840 19.096 3.542 643 HZ2 LYS 78 1HZ LYS 78 68.494 17.973 4.626 644 HZ3 LYS 78 2HZ LYS 78 69.375 18.441 3.259 645 H THR 79 H THR 79 72.086 23.861 7.141 646 HA THR 79 HA THR 79 70.933 23.262 9.638 647 HB THR 79 HB THR 79 73.744 24.288 9.254 648 HG1 THR 79 HG1 THR 79 74.219 22.000 8.917 649 HG21 THR 79 3HG2 THR 79 73.028 23.982 11.568 650 HG22 THR 79 1HG2 THR 79 74.232 22.772 11.126 651 HG23 THR 79 2HG2 THR 79 72.526 22.331 11.207 652 H LEU 80 H LEU 80 72.613 26.200 8.521 653 HA LEU 80 HA LEU 80 72.322 27.697 10.855 654 HB2 LEU 80 1HB LEU 80 73.280 29.348 9.685 655 HB3 LEU 80 2HB LEU 80 73.499 28.103 8.456 656 HG LEU 80 HG LEU 80 71.174 28.954 7.604 657 HD11 LEU 80 1HD1 LEU 80 70.342 30.632 8.807 658 HD12 LEU 80 2HD1 LEU 80 71.600 31.636 8.087 659 HD13 LEU 80 3HD1 LEU 80 71.865 30.884 9.660 660 HD21 LEU 80 3HD2 LEU 80 73.372 30.885 7.080 661 HD22 LEU 80 1HD2 LEU 80 72.295 30.060 5.953 662 HD23 LEU 80 2HD2 LEU 80 73.641 29.187 6.685 663 H VAL 81 H VAL 81 70.072 27.050 8.265 664 HA VAL 81 HA VAL 81 68.203 29.093 8.877 665 HB VAL 81 HB VAL 81 67.888 26.473 7.416 666 HG11 VAL 81 1HG1 VAL 81 65.776 27.904 6.583 667 HG12 VAL 81 2HG1 VAL 81 65.697 26.745 7.911 668 HG13 VAL 81 3HG1 VAL 81 65.876 28.466 8.251 669 HG21 VAL 81 3HG2 VAL 81 67.462 28.844 5.860 670 HG22 VAL 81 1HG2 VAL 81 69.014 28.942 6.692 671 HG23 VAL 81 2HG2 VAL 81 68.661 27.569 5.643 672 H HIS 82 H HIS 82 68.393 25.659 9.764 673 HA HIS 82 HA HIS 82 66.003 25.556 11.237 674 HB2 HIS 82 1HB HIS 82 67.552 23.636 10.423 675 HB3 HIS 82 2HB HIS 82 68.403 23.893 11.943 676 HD1 HIS 82 HD1 HIS 82 65.443 24.559 13.310 677 HD2 HIS 82 HD2 HIS 82 66.777 21.089 11.455 678 HE1 HIS 82 HE1 HIS 82 63.994 22.714 14.215 679 H THR 83 H THR 83 69.309 26.362 12.178 680 HA THR 83 HA THR 83 68.740 26.577 14.965 681 HB THR 83 HB THR 83 71.045 27.702 13.363 682 HG1 THR 83 HG1 THR 83 72.013 25.811 14.667 683 HG21 THR 83 3HG2 THR 83 70.699 27.395 16.348 684 HG22 THR 83 1HG2 THR 83 70.783 28.914 15.457 685 HG23 THR 83 2HG2 THR 83 72.195 27.860 15.540 686 H ALA 84 H ALA 84 68.574 28.750 12.246 687 HA ALA 84 HA ALA 84 68.247 31.093 13.932 688 HB1 ALA 84 1HB ALA 84 69.498 31.190 11.784 689 HB2 ALA 84 2HB ALA 84 67.980 30.892 10.937 690 HB3 ALA 84 3HB ALA 84 68.181 32.358 11.897 691 H SER 85 H SER 85 66.297 28.613 12.924 692 HA SER 85 HA SER 85 63.893 30.302 12.805 693 HB2 SER 85 1HB SER 85 62.811 28.598 11.601 694 HB3 SER 85 2HB SER 85 64.453 28.582 10.958 695 HG SER 85 HG SER 85 63.119 26.690 12.463 696 H ILE 86 H ILE 86 65.438 27.681 14.531 697 HA ILE 86 HA ILE 86 63.364 26.694 16.058 698 HB ILE 86 HB ILE 86 65.114 26.291 17.845 699 HG12 ILE 86 1HG1 ILE 86 67.071 27.272 15.778 700 HG13 ILE 86 2HG1 ILE 86 66.462 28.338 17.039 701 HG21 ILE 86 1HG2 ILE 86 66.481 25.159 15.604 702 HG22 ILE 86 2HG2 ILE 86 65.401 24.379 16.758 703 HG23 ILE 86 3HG2 ILE 86 64.743 25.134 15.306 704 HD11 ILE 86 3HD1 ILE 86 68.316 26.037 17.224 705 HD12 ILE 86 1HD1 ILE 86 68.358 27.600 18.040 706 HD13 ILE 86 2HD1 ILE 86 67.243 26.347 18.589 707 H ALA 87 H ALA 87 63.170 27.047 18.511 708 HA ALA 87 HA ALA 87 62.117 29.603 18.973 709 HB1 ALA 87 1HB ALA 87 61.376 28.760 20.929 710 HB2 ALA 87 2HB ALA 87 61.872 27.227 20.211 711 HB3 ALA 87 3HB ALA 87 62.939 28.056 21.344 712 HA PRO 88 HA PRO 88 65.496 32.091 20.258 713 HB2 PRO 88 1HB PRO 88 64.366 33.590 22.219 714 HB3 PRO 88 2HB PRO 88 63.994 33.812 20.506 715 HG2 PRO 88 1HG PRO 88 62.450 32.337 22.604 716 HG3 PRO 88 2HG PRO 88 61.857 33.428 21.338 717 HD2 PRO 88 1HD PRO 88 61.725 30.733 21.116 718 HD3 PRO 88 2HD PRO 88 61.948 31.797 19.713 719 H GLN 89 H GLN 89 63.758 30.336 22.767 720 HA GLN 89 HA GLN 89 65.429 30.739 24.937 721 HB2 GLN 89 1HB GLN 89 64.477 28.794 25.898 722 HB3 GLN 89 2HB GLN 89 63.222 29.495 24.885 723 HG2 GLN 89 1HG GLN 89 63.908 27.874 23.094 724 HG3 GLN 89 2HG GLN 89 64.929 27.093 24.301 725 HE21 GLN 89 2HE2 GLN 89 61.761 27.494 23.085 726 HE22 GLN 89 1HE2 GLN 89 60.958 26.430 24.183 727 H GLN 90 H GLN 90 65.931 28.829 22.085 728 HA GLN 90 HA GLN 90 68.233 27.461 23.231 729 HB2 GLN 90 1HB GLN 90 67.134 27.327 20.419 730 HB3 GLN 90 2HB GLN 90 68.340 26.258 21.120 731 HG2 GLN 90 1HG GLN 90 65.484 26.506 22.036 732 HG3 GLN 90 2HG GLN 90 66.129 25.223 21.014 733 HE21 GLN 90 2HE2 GLN 90 64.850 25.018 23.604 734 HE22 GLN 90 1HE2 GLN 90 65.991 24.257 24.655 735 H ARG 91 H ARG 91 67.716 29.258 20.191 736 HA ARG 91 HA ARG 91 69.151 30.514 18.935 737 HB2 ARG 91 1HB ARG 91 69.545 31.505 21.738 738 HB3 ARG 91 2HB ARG 91 70.488 32.190 20.421 739 HG2 ARG 91 1HG ARG 91 68.521 32.953 19.311 740 HG3 ARG 91 2HG ARG 91 67.483 32.078 20.439 741 HD2 ARG 91 1HD ARG 91 68.260 33.499 22.265 742 HD3 ARG 91 2HD ARG 91 69.323 34.359 21.152 743 HE ARG 91 HE ARG 91 66.563 34.397 20.361 744 HH11 ARG 91 1HH1 ARG 91 68.995 35.936 22.319 745 HH12 ARG 91 2HH1 ARG 91 68.183 37.466 22.358 746 HH21 ARG 91 1HH2 ARG 91 65.483 36.406 20.404 747 HH22 ARG 91 2HH2 ARG 91 66.185 37.732 21.269 748 H ARG 92 H ARG 92 70.135 27.908 19.676 749 HA ARG 92 HA ARG 92 72.901 28.137 20.391 750 HB2 ARG 92 1HB ARG 92 71.242 26.115 20.646 751 HB3 ARG 92 2HB ARG 92 71.778 25.728 19.017 752 HG2 ARG 92 1HG ARG 92 73.725 24.929 19.739 753 HG3 ARG 92 2HG ARG 92 73.989 26.308 20.807 754 HD2 ARG 92 1HD ARG 92 72.065 24.095 21.469 755 HD3 ARG 92 2HD ARG 92 73.772 24.025 21.905 756 HE ARG 92 HE ARG 92 71.741 25.525 23.211 757 HH11 ARG 92 1HH1 ARG 92 75.115 25.572 22.354 758 HH12 ARG 92 2HH1 ARG 92 75.569 26.602 23.671 759 HH21 ARG 92 1HH2 ARG 92 72.327 26.881 24.950 760 HH22 ARG 92 2HH2 ARG 92 73.983 27.345 25.148 761 H GLY 93 H GLY 93 73.194 29.843 18.636 762 HA2 GLY 93 1HA GLY 93 74.188 28.477 16.222 763 HA3 GLY 93 2HA GLY 93 73.208 29.928 16.071 764 H ALA 94 H ALA 94 75.189 30.603 14.859 765 HA ALA 94 HA ALA 94 77.463 31.324 16.530 766 HB1 ALA 94 1HB ALA 94 76.945 31.168 13.617 767 HB2 ALA 94 2HB ALA 94 78.149 32.334 14.167 768 HB3 ALA 94 3HB ALA 94 78.336 30.623 14.554 769 HA PRO 95 HA PRO 95 76.430 35.541 17.160 770 HB2 PRO 95 1HB PRO 95 78.824 36.783 16.845 771 HB3 PRO 95 2HB PRO 95 78.442 35.773 18.245 772 HG2 PRO 95 1HG PRO 95 79.999 35.086 15.782 773 HG3 PRO 95 2HG PRO 95 80.352 34.693 17.474 774 HD2 PRO 95 1HD PRO 95 79.245 32.909 15.765 775 HD3 PRO 95 2HD PRO 95 78.878 32.922 17.502 776 H VAL 96 H VAL 96 75.162 35.475 15.089 777 HA VAL 96 HA VAL 96 76.391 37.255 13.085 778 HB VAL 96 HB VAL 96 74.696 36.207 11.477 779 HG11 VAL 96 1HG1 VAL 96 77.321 35.556 12.141 780 HG12 VAL 96 2HG1 VAL 96 76.493 34.005 11.986 781 HG13 VAL 96 3HG1 VAL 96 76.472 35.155 10.648 782 HG21 VAL 96 3HG2 VAL 96 74.815 33.800 13.234 783 HG22 VAL 96 1HG2 VAL 96 73.593 35.033 13.547 784 HG23 VAL 96 2HG2 VAL 96 73.648 34.223 11.981 785 HA PRO 97 HA PRO 97 73.108 40.102 13.714 786 HB2 PRO 97 1HB PRO 97 72.778 41.105 11.213 787 HB3 PRO 97 2HB PRO 97 74.177 41.486 12.224 788 HG2 PRO 97 1HG PRO 97 73.934 39.498 10.000 789 HG3 PRO 97 2HG PRO 97 75.254 40.629 10.350 790 HD2 PRO 97 1HD PRO 97 75.369 38.006 11.012 791 HD3 PRO 97 2HD PRO 97 76.154 39.271 11.980 792 H GLN 98 H GLN 98 70.890 40.352 13.531 793 HA GLN 98 HA GLN 98 69.341 38.126 12.950 794 HB2 GLN 98 1HB GLN 98 68.754 41.019 13.379 795 HB3 GLN 98 2HB GLN 98 67.467 39.992 12.761 796 HG2 GLN 98 1HG GLN 98 67.755 38.504 14.697 797 HG3 GLN 98 2HG GLN 98 68.989 39.594 15.326 798 HE21 GLN 98 2HE2 GLN 98 68.303 41.836 15.720 799 HE22 GLN 98 1HE2 GLN 98 66.697 42.112 16.294 800 H GLU 99 H GLU 99 70.382 40.737 10.878 801 HA GLU 99 HA GLU 99 68.594 40.511 8.773 802 HB2 GLU 99 1HB GLU 99 70.356 41.454 7.360 803 HB3 GLU 99 2HB GLU 99 70.280 42.278 8.911 804 HG2 GLU 99 1HG GLU 99 72.123 40.404 9.470 805 HG3 GLU 99 2HG GLU 99 72.415 40.624 7.746 806 H LEU 100 H LEU 100 71.461 38.586 9.496 807 HA LEU 100 HA LEU 100 71.490 37.106 7.088 808 HB2 LEU 100 1HB LEU 100 72.803 36.992 9.702 809 HB3 LEU 100 2HB LEU 100 72.592 35.419 8.935 810 HG LEU 100 HG LEU 100 74.780 36.289 8.421 811 HD11 LEU 100 1HD1 LEU 100 72.987 35.347 6.583 812 HD12 LEU 100 2HD1 LEU 100 74.716 35.557 6.311 813 HD13 LEU 100 3HD1 LEU 100 73.586 36.815 5.810 814 HD21 LEU 100 3HD2 LEU 100 74.346 38.450 6.723 815 HD22 LEU 100 1HD2 LEU 100 75.060 38.492 8.335 816 HD23 LEU 100 2HD2 LEU 100 73.330 38.770 8.130 817 H LEU 101 H LEU 101 69.919 36.589 10.204 818 HA LEU 101 HA LEU 101 68.923 33.990 9.525 819 HB2 LEU 101 1HB LEU 101 68.088 35.897 11.705 820 HB3 LEU 101 2HB LEU 101 67.594 34.210 11.577 821 HG LEU 101 HG LEU 101 69.270 33.861 13.028 822 HD11 LEU 101 1HD1 LEU 101 70.051 32.985 10.774 823 HD12 LEU 101 2HD1 LEU 101 71.281 33.189 12.020 824 HD13 LEU 101 3HD1 LEU 101 71.130 34.379 10.727 825 HD21 LEU 101 3HD2 LEU 101 71.310 35.491 13.036 826 HD22 LEU 101 1HD2 LEU 101 69.772 35.991 13.739 827 HD23 LEU 101 2HD2 LEU 101 70.224 36.542 12.126 828 H ASP 102 H ASP 102 67.839 37.255 9.111 829 HA ASP 102 HA ASP 102 65.083 36.614 8.659 830 HB2 ASP 102 1HB ASP 102 66.060 38.875 9.387 831 HB3 ASP 102 2HB ASP 102 66.474 39.104 7.690 832 H ARG 103 H ARG 103 67.939 37.021 6.655 833 HA ARG 103 HA ARG 103 66.507 36.934 4.173 834 HB2 ARG 103 1HB ARG 103 68.761 36.713 3.162 835 HB3 ARG 103 2HB ARG 103 68.633 38.077 4.264 836 HG2 ARG 103 1HG ARG 103 69.741 36.757 6.009 837 HG3 ARG 103 2HG ARG 103 69.896 35.413 4.875 838 HD2 ARG 103 1HD ARG 103 71.963 36.433 4.708 839 HD3 ARG 103 2HD ARG 103 71.080 37.160 3.366 840 HE ARG 103 HE ARG 103 70.947 38.652 5.829 841 HH11 ARG 103 1HH1 ARG 103 72.698 38.116 2.868 842 HH12 ARG 103 2HH1 ARG 103 73.438 39.682 2.869 843 HH21 ARG 103 1HH2 ARG 103 71.916 40.717 5.842 844 HH22 ARG 103 2HH2 ARG 103 72.994 41.161 4.562 845 H VAL 104 H VAL 104 68.380 34.618 6.088 846 HA VAL 104 HA VAL 104 68.188 32.480 4.236 847 HB VAL 104 HB VAL 104 68.934 31.041 6.043 848 HG11 VAL 104 1HG1 VAL 104 70.930 31.875 5.529 849 HG12 VAL 104 2HG1 VAL 104 70.252 33.482 5.262 850 HG13 VAL 104 3HG1 VAL 104 70.747 32.991 6.882 851 HG21 VAL 104 3HG2 VAL 104 67.798 31.594 7.963 852 HG22 VAL 104 1HG2 VAL 104 69.372 32.316 8.293 853 HG23 VAL 104 2HG2 VAL 104 68.038 33.326 7.737 854 H LEU 105 H LEU 105 66.232 33.480 6.999 855 HA LEU 105 HA LEU 105 64.534 31.196 6.980 856 HB2 LEU 105 1HB LEU 105 64.355 33.925 8.208 857 HB3 LEU 105 2HB LEU 105 63.008 32.792 8.304 858 HG LEU 105 HG LEU 105 65.780 32.279 9.380 859 HD11 LEU 105 1HD1 LEU 105 65.158 33.090 11.381 860 HD12 LEU 105 2HD1 LEU 105 63.495 32.531 11.210 861 HD13 LEU 105 3HD1 LEU 105 64.006 34.028 10.430 862 HD21 LEU 105 3HD2 LEU 105 63.764 30.650 10.533 863 HD22 LEU 105 1HD2 LEU 105 65.155 30.161 9.565 864 HD23 LEU 105 2HD2 LEU 105 63.621 30.537 8.778 865 H ALA 106 H ALA 106 64.066 34.544 5.851 866 HA ALA 106 HA ALA 106 61.520 34.252 4.782 867 HB1 ALA 106 1HB ALA 106 63.779 36.037 3.892 868 HB2 ALA 106 2HB ALA 106 62.113 36.184 3.331 869 HB3 ALA 106 3HB ALA 106 62.495 36.427 5.036 870 H ALA 107 H ALA 107 64.672 33.683 3.260 871 HA ALA 107 HA ALA 107 63.682 33.073 0.688 872 HB1 ALA 107 1HB ALA 107 65.982 31.738 0.671 873 HB2 ALA 107 2HB ALA 107 65.910 33.498 0.569 874 HB3 ALA 107 3HB ALA 107 66.256 32.717 2.112 875 H GLN 108 H GLN 108 64.512 31.020 3.461 876 HA GLN 108 HA GLN 108 64.157 28.529 2.305 877 HB2 GLN 108 1HB GLN 108 64.887 29.266 4.727 878 HB3 GLN 108 2HB GLN 108 63.187 29.000 5.093 879 HG2 GLN 108 1HG GLN 108 65.234 27.022 4.163 880 HG3 GLN 108 2HG GLN 108 64.247 26.989 5.623 881 HE21 GLN 108 2HE2 GLN 108 61.968 26.594 5.381 882 HE22 GLN 108 1HE2 GLN 108 61.398 25.647 4.054 883 H ALA 109 H ALA 109 61.739 30.628 3.834 884 HA ALA 109 HA ALA 109 59.574 28.816 3.373 885 HB1 ALA 109 1HB ALA 109 59.100 31.721 3.817 886 HB2 ALA 109 2HB ALA 109 58.252 30.323 4.479 887 HB3 ALA 109 3HB ALA 109 59.837 30.773 5.109 888 H TYR 110 H TYR 110 61.055 31.418 1.595 889 HA TYR 110 HA TYR 110 58.921 31.905 -0.210 890 HB2 TYR 110 1HB TYR 110 61.051 33.322 0.292 891 HB3 TYR 110 2HB TYR 110 61.802 32.320 -0.944 892 HD1 TYR 110 HD1 TYR 110 58.658 34.292 -0.464 893 HD2 TYR 110 HD2 TYR 110 61.800 33.146 -3.094 894 HE1 TYR 110 HE1 TYR 110 57.725 35.756 -2.206 895 HE2 TYR 110 HE2 TYR 110 60.877 34.608 -4.843 896 HH TYR 110 HH TYR 110 59.416 36.313 -5.236 897 H TRP 111 H TRP 111 61.785 29.826 -0.344 898 HA TRP 111 HA TRP 111 61.147 28.843 -2.974 899 HB2 TRP 111 1HB TRP 111 63.212 28.062 -0.917 900 HB3 TRP 111 2HB TRP 111 63.020 27.198 -2.440 901 HD1 TRP 111 HD1 TRP 111 65.275 29.553 -1.116 902 HE1 TRP 111 HE1 TRP 111 66.237 31.151 -2.890 903 HE3 TRP 111 HE3 TRP 111 61.858 28.784 -4.840 904 HZ2 TRP 111 HZ2 TRP 111 65.628 31.976 -5.520 905 HZ3 TRP 111 HZ3 TRP 111 62.119 30.017 -6.953 906 HH2 TRP 111 HH2 TRP 111 63.965 31.580 -7.284 907 H SER 112 H SER 112 60.247 28.067 0.230 908 HA SER 112 HA SER 112 59.701 25.292 -0.169 909 HB2 SER 112 1HB SER 112 60.087 26.367 2.070 910 HB3 SER 112 2HB SER 112 58.502 27.126 1.918 911 HG SER 112 HG SER 112 57.865 25.333 2.831 912 H VAL 113 H VAL 113 58.229 24.618 -1.580 913 HA VAL 113 HA VAL 113 55.771 26.188 -1.943 914 HB VAL 113 HB VAL 113 56.872 23.984 -3.692 915 HG11 VAL 113 1HG1 VAL 113 54.820 23.955 -4.554 916 HG12 VAL 113 2HG1 VAL 113 54.326 25.351 -3.594 917 HG13 VAL 113 3HG1 VAL 113 55.128 25.586 -5.148 918 HG21 VAL 113 3HG2 VAL 113 58.385 25.744 -3.949 919 HG22 VAL 113 1HG2 VAL 113 57.238 25.981 -5.268 920 HG23 VAL 113 2HG2 VAL 113 57.125 26.971 -3.812 921 H ASP 114 H ASP 114 56.579 22.725 -2.198 922 HA ASP 114 HA ASP 114 54.210 22.148 -0.542 923 HB2 ASP 114 1HB ASP 114 53.771 21.563 -2.878 924 HB3 ASP 114 2HB ASP 114 55.228 20.574 -2.917 925 H SER 115 H SER 115 54.346 20.422 0.898 926 HA SER 115 HA SER 115 56.936 19.933 1.968 927 HB2 SER 115 1HB SER 115 54.616 19.980 3.164 928 HB3 SER 115 2HB SER 115 54.535 18.282 2.694 929 HG SER 115 HG SER 115 55.467 18.485 4.743 930 H SER 116 H SER 116 58.100 18.963 0.262 931 HA SER 116 HA SER 116 57.239 16.285 -0.559 932 HB2 SER 116 1HB SER 116 57.988 18.089 -2.232 933 HB3 SER 116 2HB SER 116 59.623 17.776 -1.648 934 HG SER 116 HG SER 116 59.486 15.699 -2.389 935 H GLY 117 H GLY 117 59.034 14.642 -0.796 936 HA2 GLY 117 1HA GLY 117 61.133 13.780 -0.028 937 HA3 GLY 117 2HA GLY 117 61.073 14.921 1.306 938 H ARG 118 H ARG 118 61.421 11.958 1.219 939 HA ARG 118 HA ARG 118 59.062 11.136 2.767 940 HB2 ARG 118 1HB ARG 118 59.728 8.848 2.335 941 HB3 ARG 118 2HB ARG 118 59.664 9.734 0.817 942 HG2 ARG 118 1HG ARG 118 62.042 9.890 0.723 943 HG3 ARG 118 2HG ARG 118 62.200 9.240 2.356 944 HD2 ARG 118 1HD ARG 118 60.812 7.645 0.245 945 HD3 ARG 118 2HD ARG 118 62.574 7.695 0.288 946 HE ARG 118 HE ARG 118 61.876 7.076 2.840 947 HH11 ARG 118 1HH1 ARG 118 61.140 5.718 -0.280 948 HH12 ARG 118 2HH1 ARG 118 60.969 4.102 0.319 949 HH21 ARG 118 1HH2 ARG 118 61.653 4.951 3.641 950 HH22 ARG 118 2HH2 ARG 118 61.260 3.667 2.549 951 H ILE 119 H ILE 119 59.971 9.145 4.299 952 HA ILE 119 HA ILE 119 61.597 10.557 6.254 953 HB ILE 119 HB ILE 119 61.033 8.673 7.760 954 HG12 ILE 119 1HG1 ILE 119 59.075 7.691 5.716 955 HG13 ILE 119 2HG1 ILE 119 60.737 7.114 5.667 956 HG21 ILE 119 1HG2 ILE 119 59.012 10.384 6.437 957 HG22 ILE 119 2HG2 ILE 119 58.417 9.108 7.498 958 HG23 ILE 119 3HG2 ILE 119 59.524 10.330 8.123 959 HD11 ILE 119 3HD1 ILE 119 60.422 5.754 7.397 960 HD12 ILE 119 1HD1 ILE 119 59.560 6.982 8.323 961 HD13 ILE 119 2HD1 ILE 119 58.700 6.018 7.123 962 H VAL 120 H VAL 120 63.170 9.986 4.146 963 HA VAL 120 HA VAL 120 64.446 7.547 3.978 964 HB VAL 120 HB VAL 120 66.443 8.783 3.190 965 HG11 VAL 120 1HG1 VAL 120 64.131 10.179 1.943 966 HG12 VAL 120 2HG1 VAL 120 65.494 9.351 1.188 967 HG13 VAL 120 3HG1 VAL 120 64.175 8.417 1.895 968 HG21 VAL 120 3HG2 VAL 120 66.836 10.928 3.672 969 HG22 VAL 120 1HG2 VAL 120 65.196 11.407 3.236 970 HG23 VAL 120 2HG2 VAL 120 65.534 10.792 4.853 971 H THR 121 H THR 121 66.353 6.693 4.891 972 HA THR 121 HA THR 121 66.881 7.660 7.619 973 HB THR 121 HB THR 121 67.406 4.910 6.473 974 HG1 THR 121 HG1 THR 121 65.416 5.694 8.353 975 HG21 THR 121 3HG2 THR 121 67.577 5.956 9.302 976 HG22 THR 121 1HG2 THR 121 68.937 5.485 8.284 977 HG23 THR 121 2HG2 THR 121 67.775 4.272 8.820 978 H LEU 122 H LEU 122 68.434 6.516 4.658 979 HA LEU 122 HA LEU 122 70.901 7.853 5.525 980 HB2 LEU 122 1HB LEU 122 70.830 5.242 5.668 981 HB3 LEU 122 2HB LEU 122 71.045 5.338 3.921 982 HG LEU 122 HG LEU 122 73.122 6.695 4.363 983 HD11 LEU 122 1HD1 LEU 122 72.476 5.858 7.175 984 HD12 LEU 122 2HD1 LEU 122 72.809 7.477 6.561 985 HD13 LEU 122 3HD1 LEU 122 74.108 6.287 6.660 986 HD21 LEU 122 3HD2 LEU 122 74.468 4.794 4.602 987 HD22 LEU 122 1HD2 LEU 122 72.976 4.189 3.881 988 HD23 LEU 122 2HD2 LEU 122 73.276 3.965 5.605
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