NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588807 | 2rv6 | 11488 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 20.198 30.451 12.160 2 H2 GLY 1 2H GLY 1 19.080 29.376 12.684 3 H3 GLY 1 3H GLY 1 18.748 30.982 12.713 4 HA2 GLY 1 1HA GLY 1 17.591 29.943 10.880 5 HA3 GLY 1 2HA GLY 1 18.798 31.112 10.316 6 H SER 2 H SER 2 17.923 29.228 8.566 7 HA SER 2 HA SER 2 19.389 26.777 8.506 8 HB2 SER 2 1HB SER 2 18.130 28.316 6.204 9 HB3 SER 2 2HB SER 2 18.607 26.606 6.193 10 HG SER 2 HG SER 2 16.362 26.894 6.647 11 H SER 3 H SER 3 21.194 26.107 7.394 12 HA SER 3 HA SER 3 23.257 28.081 6.815 13 HB2 SER 3 1HB SER 3 23.278 25.057 6.508 14 HB3 SER 3 2HB SER 3 24.688 26.131 6.411 15 HG SER 3 HG SER 3 24.442 25.200 8.503 16 H GLY 4 H GLY 4 24.366 28.408 4.881 17 HA2 GLY 4 1HA GLY 4 24.791 28.472 2.613 18 HA3 GLY 4 2HA GLY 4 23.677 27.136 2.363 19 H SER 5 H SER 5 23.707 28.911 0.441 20 HA SER 5 HA SER 5 21.687 31.028 0.822 21 HB2 SER 5 1HB SER 5 22.381 31.700 -1.458 22 HB3 SER 5 2HB SER 5 23.718 31.631 -0.299 23 HG SER 5 HG SER 5 24.250 30.637 -2.308 24 H SER 6 H SER 6 21.663 27.779 -0.320 25 HA SER 6 HA SER 6 18.877 28.043 -1.246 26 HB2 SER 6 1HB SER 6 19.319 26.874 -3.368 27 HB3 SER 6 2HB SER 6 20.121 28.448 -3.294 28 HG SER 6 HG SER 6 21.509 26.816 -4.113 29 H GLY 7 H GLY 7 17.771 26.032 -1.517 30 HA2 GLY 7 1HA GLY 7 18.591 23.887 0.335 31 HA3 GLY 7 2HA GLY 7 17.062 24.038 -0.523 32 H LYS 8 H LYS 8 17.585 21.653 -0.681 33 HA LYS 8 HA LYS 8 18.878 21.084 -3.306 34 HB2 LYS 8 1HB LYS 8 20.371 20.409 -1.419 35 HB3 LYS 8 2HB LYS 8 19.117 19.305 -0.840 36 HG2 LYS 8 1HG LYS 8 19.266 17.992 -2.911 37 HG3 LYS 8 2HG LYS 8 20.375 19.182 -3.622 38 HD2 LYS 8 1HD LYS 8 22.047 18.671 -1.856 39 HD3 LYS 8 2HD LYS 8 20.941 17.459 -1.168 40 HE2 LYS 8 1HE LYS 8 20.980 16.203 -3.301 41 HE3 LYS 8 2HE LYS 8 22.026 17.430 -4.023 42 HZ1 LYS 8 3HZ LYS 8 23.316 15.531 -3.229 43 HZ2 LYS 8 1HZ LYS 8 22.777 15.733 -1.698 44 HZ3 LYS 8 2HZ LYS 8 23.734 16.862 -2.388 45 H ILE 9 H ILE 9 17.980 19.557 -4.563 46 HA ILE 9 HA ILE 9 15.260 18.521 -3.916 47 HB ILE 9 HB ILE 9 16.044 20.159 -6.367 48 HG12 ILE 9 1HG1 ILE 9 14.148 20.848 -4.070 49 HG13 ILE 9 2HG1 ILE 9 15.729 21.576 -4.356 50 HG21 ILE 9 1HG2 ILE 9 14.453 18.393 -6.970 51 HG22 ILE 9 2HG2 ILE 9 13.378 18.873 -5.630 52 HG23 ILE 9 3HG2 ILE 9 13.659 19.945 -7.021 53 HD11 ILE 9 3HD1 ILE 9 14.916 22.457 -6.548 54 HD12 ILE 9 1HD1 ILE 9 13.273 21.934 -6.085 55 HD13 ILE 9 2HD1 ILE 9 14.130 23.133 -5.109 56 H PHE 10 H PHE 10 14.699 16.627 -5.037 57 HA PHE 10 HA PHE 10 16.953 15.217 -6.420 58 HB2 PHE 10 1HB PHE 10 14.874 14.058 -4.534 59 HB3 PHE 10 2HB PHE 10 16.211 13.199 -5.283 60 HD1 PHE 10 1HD PHE 10 15.273 15.691 -2.708 61 HD2 PHE 10 2HD PHE 10 18.519 13.436 -4.435 62 HE1 PHE 10 1HE PHE 10 16.739 16.357 -0.819 63 HE2 PHE 10 2HE PHE 10 19.985 14.117 -2.556 64 HZ PHE 10 HZ PHE 10 19.096 15.562 -0.736 65 H THR 11 H THR 11 16.496 14.165 -8.346 66 HA THR 11 HA THR 11 13.681 14.283 -9.347 67 HB THR 11 HB THR 11 16.166 15.123 -10.878 68 HG1 THR 11 1HG THR 11 15.757 16.677 -9.373 69 HG21 THR 11 3HG2 THR 11 14.527 16.121 -12.443 70 HG22 THR 11 1HG2 THR 11 13.200 15.400 -11.504 71 HG23 THR 11 2HG2 THR 11 14.367 14.362 -12.358 72 H CYS 12 H CYS 12 12.982 12.638 -10.563 73 HA CYS 12 HA CYS 12 14.501 10.176 -10.805 74 HB2 CYS 12 1HB CYS 12 12.115 10.255 -10.305 75 HB3 CYS 12 2HB CYS 12 11.794 11.071 -11.851 76 H GLU 13 H GLU 13 15.567 9.371 -12.503 77 HA GLU 13 HA GLU 13 16.030 11.081 -14.864 78 HB2 GLU 13 1HB GLU 13 17.865 9.642 -15.371 79 HB3 GLU 13 2HB GLU 13 17.928 10.087 -13.668 80 HG2 GLU 13 1HG GLU 13 16.939 7.862 -13.073 81 HG3 GLU 13 2HG GLU 13 16.941 7.424 -14.785 82 H TYR 14 H TYR 14 13.791 8.676 -14.135 83 HA TYR 14 HA TYR 14 13.681 7.603 -16.922 84 HB2 TYR 14 1HB TYR 14 12.418 6.645 -14.349 85 HB3 TYR 14 2HB TYR 14 12.232 5.874 -15.912 86 HD1 TYR 14 2HD TYR 14 14.231 4.836 -17.057 87 HD2 TYR 14 1HD TYR 14 14.354 6.241 -12.980 88 HE1 TYR 14 2HE TYR 14 16.257 3.442 -16.634 89 HE2 TYR 14 1HE TYR 14 16.378 4.847 -12.562 90 HH TYR 14 HH TYR 14 17.885 3.362 -13.442 91 H CYS 15 H CYS 15 11.722 9.463 -14.621 92 HA CYS 15 HA CYS 15 9.746 9.969 -16.785 93 HB2 CYS 15 1HB CYS 15 7.884 9.653 -15.321 94 HB3 CYS 15 2HB CYS 15 8.857 8.185 -15.380 95 H ASN 16 H ASN 16 11.943 11.479 -14.995 96 HA ASN 16 HA ASN 16 12.385 13.561 -14.327 97 HB2 ASN 16 1HB ASN 16 10.261 14.310 -16.354 98 HB3 ASN 16 2HB ASN 16 11.462 15.402 -15.680 99 HD21 ASN 16 1HD2 ASN 16 11.315 15.172 -18.386 100 HD22 ASN 16 2HD2 ASN 16 12.739 14.317 -18.961 101 H LYS 17 H LYS 17 9.998 12.186 -12.856 102 HA LYS 17 HA LYS 17 8.577 14.354 -11.580 103 HB2 LYS 17 1HB LYS 17 9.218 11.513 -10.713 104 HB3 LYS 17 2HB LYS 17 8.314 12.644 -9.692 105 HG2 LYS 17 1HG LYS 17 6.609 12.916 -11.473 106 HG3 LYS 17 2HG LYS 17 7.487 11.738 -12.466 107 HD2 LYS 17 1HD LYS 17 7.296 10.133 -10.455 108 HD3 LYS 17 2HD LYS 17 6.160 11.278 -9.748 109 HE2 LYS 17 1HE LYS 17 5.876 9.850 -12.428 110 HE3 LYS 17 2HE LYS 17 5.089 9.374 -10.916 111 HZ1 LYS 17 3HZ LYS 17 3.582 10.675 -12.296 112 HZ2 LYS 17 1HZ LYS 17 4.611 11.936 -12.351 113 HZ3 LYS 17 2HZ LYS 17 3.906 11.515 -10.936 114 H VAL 18 H VAL 18 8.824 15.206 -9.575 115 HA VAL 18 HA VAL 18 11.652 15.521 -8.624 116 HB VAL 18 HB VAL 18 9.473 17.635 -8.776 117 HG11 VAL 18 1HG1 VAL 18 11.330 19.194 -8.164 118 HG12 VAL 18 2HG1 VAL 18 10.957 18.063 -6.863 119 HG13 VAL 18 3HG1 VAL 18 12.380 17.783 -7.897 120 HG21 VAL 18 3HG2 VAL 18 10.407 17.131 -11.013 121 HG22 VAL 18 1HG2 VAL 18 10.969 18.702 -10.446 122 HG23 VAL 18 2HG2 VAL 18 12.056 17.299 -10.371 123 H PHE 19 H PHE 19 12.085 15.436 -6.522 124 HA PHE 19 HA PHE 19 9.908 14.944 -4.545 125 HB2 PHE 19 1HB PHE 19 12.446 13.312 -4.944 126 HB3 PHE 19 2HB PHE 19 11.239 13.061 -3.693 127 HD1 PHE 19 2HD PHE 19 8.985 12.138 -4.256 128 HD2 PHE 19 1HD PHE 19 12.048 12.606 -7.255 129 HE1 PHE 19 2HE PHE 19 7.662 10.743 -5.827 130 HE2 PHE 19 1HE PHE 19 10.727 11.204 -8.816 131 HZ PHE 19 HZ PHE 19 8.507 10.305 -8.127 132 H LYS 20 H LYS 20 10.314 15.516 -2.446 133 HA LYS 20 HA LYS 20 12.164 17.711 -2.045 134 HB2 LYS 20 1HB LYS 20 9.797 17.513 -1.192 135 HB3 LYS 20 2HB LYS 20 10.363 16.322 -0.012 136 HG2 LYS 20 1HG LYS 20 11.838 18.014 1.010 137 HG3 LYS 20 2HG LYS 20 11.404 19.183 -0.255 138 HD2 LYS 20 1HD LYS 20 9.012 19.035 0.496 139 HD3 LYS 20 2HD LYS 20 9.514 17.995 1.834 140 HE2 LYS 20 1HE LYS 20 10.523 20.836 1.324 141 HE3 LYS 20 2HE LYS 20 9.199 20.430 2.417 142 HZ1 LYS 20 3HZ LYS 20 10.749 19.128 3.747 143 HZ2 LYS 20 1HZ LYS 20 11.290 20.659 3.616 144 HZ3 LYS 20 2HZ LYS 20 11.994 19.477 2.738 145 H PHE 21 H PHE 21 12.332 14.323 -1.281 146 HA PHE 21 HA PHE 21 14.961 14.701 0.075 147 HB2 PHE 21 1HB PHE 21 12.731 12.860 1.013 148 HB3 PHE 21 2HB PHE 21 14.349 12.954 1.688 149 HD1 PHE 21 2HD PHE 21 15.124 15.153 2.773 150 HD2 PHE 21 1HD PHE 21 11.001 14.278 1.851 151 HE1 PHE 21 2HE PHE 21 14.391 16.826 4.455 152 HE2 PHE 21 1HE PHE 21 10.271 15.948 3.538 153 HZ PHE 21 HZ PHE 21 11.967 17.208 4.861 154 H LYS 22 H LYS 22 16.424 12.988 -0.125 155 HA LYS 22 HA LYS 22 16.356 11.523 -2.560 156 HB2 LYS 22 1HB LYS 22 18.385 12.273 -1.262 157 HB3 LYS 22 2HB LYS 22 18.101 10.949 -0.130 158 HG2 LYS 22 1HG LYS 22 18.462 9.295 -1.874 159 HG3 LYS 22 2HG LYS 22 18.403 10.526 -3.140 160 HD2 LYS 22 1HD LYS 22 20.695 9.759 -2.727 161 HD3 LYS 22 2HD LYS 22 20.512 11.488 -2.400 162 HE2 LYS 22 1HE LYS 22 20.394 11.067 0.011 163 HE3 LYS 22 2HE LYS 22 20.436 9.317 -0.259 164 HZ1 LYS 22 3HZ LYS 22 22.675 9.580 -1.187 165 HZ2 LYS 22 1HZ LYS 22 22.632 10.176 0.330 166 HZ3 LYS 22 2HZ LYS 22 22.638 11.196 -0.943 167 H HIS 23 H HIS 23 15.428 10.489 0.728 168 HA HIS 23 HA HIS 23 15.159 7.710 0.086 169 HB2 HIS 23 1HB HIS 23 13.846 7.551 2.147 170 HB3 HIS 23 2HB HIS 23 15.373 8.388 2.357 171 HD1 HIS 23 1HD HIS 23 15.213 10.652 3.632 172 HD2 HIS 23 2HD HIS 23 11.561 9.259 2.069 173 HE1 HIS 23 1HE HIS 23 13.408 12.211 4.530 174 H SER 24 H SER 24 12.877 10.423 -0.335 175 HA SER 24 HA SER 24 10.618 8.809 -1.113 176 HB2 SER 24 1HB SER 24 11.300 11.671 -1.875 177 HB3 SER 24 2HB SER 24 9.720 10.880 -2.042 178 HG SER 24 HG SER 24 9.775 12.067 -0.117 179 H LEU 25 H LEU 25 13.289 10.325 -2.986 180 HA LEU 25 HA LEU 25 12.380 9.368 -5.542 181 HB2 LEU 25 1HB LEU 25 13.930 11.218 -5.379 182 HB3 LEU 25 2HB LEU 25 15.118 10.220 -4.539 183 HG LEU 25 HG LEU 25 15.445 8.837 -6.548 184 HD11 LEU 25 1HD1 LEU 25 13.202 9.051 -7.609 185 HD12 LEU 25 2HD1 LEU 25 14.502 9.482 -8.710 186 HD13 LEU 25 3HD1 LEU 25 13.536 10.763 -7.946 187 HD21 LEU 25 3HD2 LEU 25 16.823 10.855 -6.213 188 HD22 LEU 25 1HD2 LEU 25 15.643 11.805 -7.149 189 HD23 LEU 25 2HD2 LEU 25 16.565 10.507 -7.931 190 H GLN 26 H GLN 26 14.699 7.954 -3.156 191 HA GLN 26 HA GLN 26 15.355 5.634 -4.664 192 HB2 GLN 26 1HB GLN 26 15.268 6.232 -1.689 193 HB3 GLN 26 2HB GLN 26 15.755 4.654 -2.278 194 HG2 GLN 26 1HG GLN 26 17.093 7.274 -3.116 195 HG3 GLN 26 2HG GLN 26 17.660 6.245 -1.806 196 HE21 GLN 26 1HE2 GLN 26 19.480 6.783 -3.751 197 HE22 GLN 26 2HE2 GLN 26 19.701 5.365 -4.767 198 H ALA 27 H ALA 27 12.606 6.126 -2.399 199 HA ALA 27 HA ALA 27 11.580 3.452 -2.763 200 HB1 ALA 27 1HB ALA 27 11.122 4.840 -0.799 201 HB2 ALA 27 2HB ALA 27 10.230 6.004 -1.813 202 HB3 ALA 27 3HB ALA 27 9.616 4.345 -1.609 203 H HIS 28 H HIS 28 11.002 6.529 -4.510 204 HA HIS 28 HA HIS 28 8.881 5.545 -6.189 205 HB2 HIS 28 1HB HIS 28 9.202 7.908 -5.970 206 HB3 HIS 28 2HB HIS 28 10.893 7.805 -6.456 207 HD1 HIS 28 1HD HIS 28 7.425 7.212 -8.085 208 HD2 HIS 28 2HD HIS 28 11.447 8.041 -8.984 209 HE1 HIS 28 1HE HIS 28 7.512 7.567 -10.593 210 H LEU 29 H LEU 29 12.449 5.586 -6.644 211 HA LEU 29 HA LEU 29 12.532 4.671 -9.295 212 HB2 LEU 29 1HB LEU 29 14.440 4.415 -6.954 213 HB3 LEU 29 2HB LEU 29 14.861 3.771 -8.534 214 HG LEU 29 HG LEU 29 14.080 6.689 -8.153 215 HD11 LEU 29 1HD1 LEU 29 16.071 6.205 -6.784 216 HD12 LEU 29 2HD1 LEU 29 16.500 7.178 -8.197 217 HD13 LEU 29 3HD1 LEU 29 16.858 5.434 -8.177 218 HD21 LEU 29 3HD2 LEU 29 13.944 5.887 -10.474 219 HD22 LEU 29 1HD2 LEU 29 15.594 5.238 -10.355 220 HD23 LEU 29 2HD2 LEU 29 15.302 6.990 -10.272 221 H ARG 30 H ARG 30 11.671 2.771 -6.526 222 HA ARG 30 HA ARG 30 12.231 0.127 -7.424 223 HB2 ARG 30 1HB ARG 30 9.856 1.174 -5.820 224 HB3 ARG 30 2HB ARG 30 10.331 -0.522 -5.952 225 HG2 ARG 30 1HG ARG 30 12.478 -0.068 -4.852 226 HG3 ARG 30 2HG ARG 30 12.104 1.662 -4.768 227 HD2 ARG 30 1HD ARG 30 10.108 1.160 -3.386 228 HD3 ARG 30 2HD ARG 30 10.553 -0.559 -3.387 229 HE ARG 30 HE ARG 30 12.841 0.632 -2.472 230 HH11 ARG 30 2HH1 ARG 30 9.532 0.869 -1.340 231 HH12 ARG 30 1HH1 ARG 30 10.023 1.241 0.290 232 HH21 ARG 30 2HH2 ARG 30 13.393 1.096 -0.372 233 HH22 ARG 30 1HH2 ARG 30 12.153 1.359 0.816 234 H ILE 31 H ILE 31 9.656 2.334 -8.550 235 HA ILE 31 HA ILE 31 8.208 0.224 -9.919 236 HB ILE 31 HB ILE 31 6.833 1.798 -10.816 237 HG12 ILE 31 1HG1 ILE 31 8.821 4.025 -10.276 238 HG13 ILE 31 2HG1 ILE 31 8.355 3.368 -11.840 239 HG21 ILE 31 1HG2 ILE 31 6.732 1.451 -8.328 240 HG22 ILE 31 2HG2 ILE 31 7.570 3.007 -8.129 241 HG23 ILE 31 3HG2 ILE 31 5.971 2.937 -8.894 242 HD11 ILE 31 3HD1 ILE 31 6.579 4.943 -9.964 243 HD12 ILE 31 1HD1 ILE 31 7.169 5.399 -11.576 244 HD13 ILE 31 2HD1 ILE 31 5.994 4.080 -11.410 245 H HIS 32 H HIS 32 10.940 2.200 -10.757 246 HA HIS 32 HA HIS 32 10.803 1.559 -13.633 247 HB2 HIS 32 1HB HIS 32 12.836 3.146 -12.029 248 HB3 HIS 32 2HB HIS 32 12.803 2.983 -13.782 249 HD1 HIS 32 1HD HIS 32 10.129 3.817 -14.780 250 HD2 HIS 32 2HD HIS 32 11.821 5.400 -11.282 251 HE1 HIS 32 1HE HIS 32 8.980 6.050 -14.409 252 H THR 33 H THR 33 12.677 0.496 -10.762 253 HA THR 33 HA THR 33 14.352 -1.309 -12.359 254 HB THR 33 HB THR 33 15.025 -2.312 -10.259 255 HG1 THR 33 1HG THR 33 14.207 -1.689 -8.360 256 HG21 THR 33 3HG2 THR 33 14.988 0.728 -10.019 257 HG22 THR 33 1HG2 THR 33 16.142 -0.216 -10.988 258 HG23 THR 33 2HG2 THR 33 16.115 -0.392 -9.225 259 H ASN 34 H ASN 34 11.354 -1.637 -10.460 260 HA ASN 34 HA ASN 34 9.836 -3.273 -10.226 261 HB2 ASN 34 1HB ASN 34 9.460 -2.329 -12.544 262 HB3 ASN 34 2HB ASN 34 10.283 -3.746 -13.193 263 HD21 ASN 34 1HD2 ASN 34 8.034 -3.785 -14.281 264 HD22 ASN 34 2HD2 ASN 34 6.771 -4.643 -13.412 265 H GLU 35 H GLU 35 12.140 -4.109 -9.253 266 HA GLU 35 HA GLU 35 13.097 -6.588 -10.387 267 HB2 GLU 35 1HB GLU 35 14.843 -6.403 -8.724 268 HB3 GLU 35 2HB GLU 35 14.563 -4.853 -9.510 269 HG2 GLU 35 1HG GLU 35 13.144 -4.171 -7.513 270 HG3 GLU 35 2HG GLU 35 13.624 -5.674 -6.726 271 H LYS 36 H LYS 36 10.511 -6.173 -8.268 272 HA LYS 36 HA LYS 36 10.905 -8.393 -6.468 273 HB2 LYS 36 1HB LYS 36 8.435 -6.916 -7.420 274 HB3 LYS 36 2HB LYS 36 8.358 -8.271 -6.287 275 HG2 LYS 36 1HG LYS 36 9.872 -7.060 -4.727 276 HG3 LYS 36 2HG LYS 36 9.883 -5.671 -5.835 277 HD2 LYS 36 1HD LYS 36 7.419 -5.466 -5.603 278 HD3 LYS 36 2HD LYS 36 7.409 -6.865 -4.505 279 HE2 LYS 36 1HE LYS 36 8.866 -5.639 -2.922 280 HE3 LYS 36 2HE LYS 36 8.889 -4.245 -4.010 281 HZ1 LYS 36 3HZ LYS 36 6.483 -4.044 -3.707 282 HZ2 LYS 36 1HZ LYS 36 7.216 -3.998 -2.251 283 HZ3 LYS 36 2HZ LYS 36 6.440 -5.351 -2.730 284 HA PRO 37 HA PRO 37 10.629 -11.422 -9.691 285 HB2 PRO 37 1HB PRO 37 10.682 -13.768 -8.212 286 HB3 PRO 37 2HB PRO 37 12.085 -12.714 -8.531 287 HG2 PRO 37 1HG PRO 37 10.316 -12.749 -6.075 288 HG3 PRO 37 2HG PRO 37 12.106 -12.741 -6.149 289 HD2 PRO 37 1HD PRO 37 10.699 -10.464 -5.743 290 HD3 PRO 37 2HD PRO 37 12.145 -10.462 -6.791 291 H TYR 38 H TYR 38 8.296 -11.858 -7.005 292 HA TYR 38 HA TYR 38 6.643 -13.636 -8.686 293 HB2 TYR 38 1HB TYR 38 6.415 -12.880 -5.766 294 HB3 TYR 38 2HB TYR 38 5.394 -14.038 -6.598 295 HD1 TYR 38 1HD TYR 38 6.527 -16.050 -7.775 296 HD2 TYR 38 2HD TYR 38 8.467 -13.571 -4.850 297 HE1 TYR 38 1HE TYR 38 8.189 -17.861 -7.347 298 HE2 TYR 38 2HE TYR 38 10.141 -15.366 -4.409 299 HH TYR 38 HH TYR 38 10.055 -18.498 -6.167 300 H LYS 39 H LYS 39 5.858 -12.256 -10.219 301 HA LYS 39 HA LYS 39 4.231 -9.895 -9.459 302 HB2 LYS 39 1HB LYS 39 5.262 -10.933 -12.113 303 HB3 LYS 39 2HB LYS 39 4.193 -9.529 -11.957 304 HG2 LYS 39 1HG LYS 39 5.801 -8.341 -10.606 305 HG3 LYS 39 2HG LYS 39 6.846 -9.758 -10.482 306 HD2 LYS 39 1HD LYS 39 7.264 -9.651 -12.931 307 HD3 LYS 39 2HD LYS 39 6.270 -8.172 -13.019 308 HE2 LYS 39 1HE LYS 39 7.769 -7.072 -11.368 309 HE3 LYS 39 2HE LYS 39 8.726 -8.547 -11.246 310 HZ1 LYS 39 3HZ LYS 39 9.367 -8.282 -13.562 311 HZ2 LYS 39 1HZ LYS 39 9.766 -6.951 -12.693 312 HZ3 LYS 39 2HZ LYS 39 8.473 -6.914 -13.705 313 H CYS 40 H CYS 40 2.115 -9.610 -9.801 314 HA CYS 40 HA CYS 40 0.392 -11.919 -9.871 315 HB2 CYS 40 1HB CYS 40 -0.027 -9.933 -8.532 316 HB3 CYS 40 2HB CYS 40 -0.182 -8.946 -9.999 317 HA PRO 41 HA PRO 41 -0.181 -11.817 -14.391 318 HB2 PRO 41 1HB PRO 41 -1.982 -13.828 -14.673 319 HB3 PRO 41 2HB PRO 41 -0.278 -14.135 -14.221 320 HG2 PRO 41 1HG PRO 41 -2.692 -13.978 -12.397 321 HG3 PRO 41 2HG PRO 41 -1.394 -15.210 -12.415 322 HD2 PRO 41 1HD PRO 41 -1.427 -13.017 -10.720 323 HD3 PRO 41 2HD PRO 41 0.085 -13.800 -11.279 324 H GLN 42 H GLN 42 -2.503 -11.032 -11.931 325 HA GLN 42 HA GLN 42 -4.594 -10.272 -13.917 326 HB2 GLN 42 1HB GLN 42 -4.806 -10.474 -10.907 327 HB3 GLN 42 2HB GLN 42 -6.119 -10.190 -12.039 328 HG2 GLN 42 1HG GLN 42 -4.498 -12.742 -11.692 329 HG3 GLN 42 2HG GLN 42 -6.182 -12.481 -11.271 330 HE21 GLN 42 1HE2 GLN 42 -7.680 -11.869 -13.220 331 HE22 GLN 42 2HE2 GLN 42 -7.323 -12.717 -14.718 332 H CYS 43 H CYS 43 -2.418 -8.732 -11.473 333 HA CYS 43 HA CYS 43 -3.273 -6.109 -12.548 334 HB2 CYS 43 1HB CYS 43 -3.704 -5.203 -10.371 335 HB3 CYS 43 2HB CYS 43 -4.721 -6.614 -10.611 336 H SER 44 H SER 44 -1.895 -4.373 -11.173 337 HA SER 44 HA SER 44 0.815 -4.707 -12.085 338 HB2 SER 44 1HB SER 44 -0.340 -2.537 -10.298 339 HB3 SER 44 2HB SER 44 1.145 -2.437 -11.259 340 HG SER 44 HG SER 44 -0.118 -2.591 -13.147 341 H TYR 45 H TYR 45 -0.468 -6.027 -9.336 342 HA TYR 45 HA TYR 45 1.333 -5.369 -7.258 343 HB2 TYR 45 1HB TYR 45 -0.873 -6.351 -6.958 344 HB3 TYR 45 2HB TYR 45 -0.387 -7.811 -7.811 345 HD1 TYR 45 1HD TYR 45 1.140 -9.459 -6.653 346 HD2 TYR 45 2HD TYR 45 -0.186 -5.851 -4.691 347 HE1 TYR 45 1HE TYR 45 1.853 -10.391 -4.463 348 HE2 TYR 45 2HE TYR 45 0.539 -6.787 -2.495 349 HH TYR 45 HH TYR 45 1.937 -10.060 -2.189 350 H ALA 46 H ALA 46 3.118 -6.314 -6.444 351 HA ALA 46 HA ALA 46 4.189 -8.793 -7.561 352 HB1 ALA 46 1HB ALA 46 5.953 -6.317 -7.471 353 HB2 ALA 46 2HB ALA 46 6.381 -7.943 -8.071 354 HB3 ALA 46 3HB ALA 46 5.200 -6.951 -8.943 355 H SER 47 H SER 47 5.691 -9.863 -6.275 356 HA SER 47 HA SER 47 6.039 -8.992 -3.434 357 HB2 SER 47 1HB SER 47 4.075 -10.453 -3.625 358 HB3 SER 47 2HB SER 47 5.042 -11.663 -4.485 359 HG SER 47 HG SER 47 5.170 -12.384 -2.514 360 H ALA 48 H ALA 48 7.702 -10.076 -2.291 361 HA ALA 48 HA ALA 48 9.937 -11.179 -3.916 362 HB1 ALA 48 1HB ALA 48 10.438 -9.306 -2.399 363 HB2 ALA 48 2HB ALA 48 9.854 -10.268 -1.018 364 HB3 ALA 48 3HB ALA 48 11.291 -10.788 -1.927 365 H ILE 49 H ILE 49 7.253 -12.391 -2.370 366 HA ILE 49 HA ILE 49 8.530 -15.044 -1.881 367 HB ILE 49 HB ILE 49 6.356 -13.970 -0.072 368 HG12 ILE 49 1HG1 ILE 49 9.335 -13.649 0.391 369 HG13 ILE 49 2HG1 ILE 49 8.122 -12.368 0.210 370 HG21 ILE 49 1HG2 ILE 49 6.744 -16.427 -0.198 371 HG22 ILE 49 2HG2 ILE 49 8.422 -16.166 0.325 372 HG23 ILE 49 3HG2 ILE 49 7.059 -15.780 1.398 373 HD11 ILE 49 3HD1 ILE 49 8.366 -14.292 2.545 374 HD12 ILE 49 1HD1 ILE 49 8.643 -12.545 2.532 375 HD13 ILE 49 2HD1 ILE 49 6.998 -13.174 2.296 376 H LYS 50 H LYS 50 7.467 -16.699 -2.795 377 HA LYS 50 HA LYS 50 5.207 -16.315 -4.503 378 HB2 LYS 50 1HB LYS 50 7.099 -18.075 -4.598 379 HB3 LYS 50 2HB LYS 50 6.160 -18.999 -3.426 380 HG2 LYS 50 1HG LYS 50 4.233 -19.014 -5.023 381 HG3 LYS 50 2HG LYS 50 5.192 -18.065 -6.174 382 HD2 LYS 50 1HD LYS 50 6.861 -19.906 -6.294 383 HD3 LYS 50 2HD LYS 50 5.889 -20.854 -5.144 384 HE2 LYS 50 1HE LYS 50 3.972 -20.800 -6.731 385 HE3 LYS 50 2HE LYS 50 4.942 -19.862 -7.874 386 HZ1 LYS 50 3HZ LYS 50 4.971 -22.229 -8.421 387 HZ2 LYS 50 1HZ LYS 50 5.582 -22.619 -6.961 388 HZ3 LYS 50 2HZ LYS 50 6.477 -21.754 -8.019 389 H ALA 51 H ALA 51 5.404 -17.641 -1.205 390 HA ALA 51 HA ALA 51 2.650 -18.352 -0.923 391 HB1 ALA 51 1HB ALA 51 4.682 -17.471 1.179 392 HB2 ALA 51 2HB ALA 51 3.154 -18.321 1.489 393 HB3 ALA 51 3HB ALA 51 4.444 -19.131 0.581 394 H ASN 52 H ASN 52 4.335 -15.225 -0.325 395 HA ASN 52 HA ASN 52 1.954 -13.869 0.610 396 HB2 ASN 52 1HB ASN 52 4.228 -13.128 1.179 397 HB3 ASN 52 2HB ASN 52 4.555 -12.797 -0.521 398 HD21 ASN 52 1HD2 ASN 52 4.432 -10.668 -1.017 399 HD22 ASN 52 2HD2 ASN 52 3.309 -9.541 -0.258 400 H LEU 53 H LEU 53 3.354 -14.370 -2.683 401 HA LEU 53 HA LEU 53 1.368 -12.757 -3.990 402 HB2 LEU 53 1HB LEU 53 3.433 -13.458 -5.120 403 HB3 LEU 53 2HB LEU 53 2.937 -15.149 -5.020 404 HG LEU 53 HG LEU 53 0.963 -14.657 -6.463 405 HD11 LEU 53 1HD1 LEU 53 0.909 -12.517 -7.725 406 HD12 LEU 53 2HD1 LEU 53 2.227 -11.893 -6.705 407 HD13 LEU 53 3HD1 LEU 53 0.635 -12.265 -6.003 408 HD21 LEU 53 3HD2 LEU 53 3.525 -13.722 -7.767 409 HD22 LEU 53 1HD2 LEU 53 2.133 -14.495 -8.537 410 HD23 LEU 53 2HD2 LEU 53 3.142 -15.426 -7.412 411 H ASN 54 H ASN 54 1.304 -16.223 -2.957 412 HA ASN 54 HA ASN 54 -1.289 -16.761 -4.052 413 HB2 ASN 54 1HB ASN 54 0.290 -18.501 -3.321 414 HB3 ASN 54 2HB ASN 54 0.100 -18.002 -1.643 415 HD21 ASN 54 1HD2 ASN 54 -1.639 -18.853 -0.464 416 HD22 ASN 54 2HD2 ASN 54 -2.884 -19.842 -1.210 417 H VAL 55 H VAL 55 -0.374 -15.407 -0.869 418 HA VAL 55 HA VAL 55 -3.037 -15.087 0.171 419 HB VAL 55 HB VAL 55 -0.444 -13.618 0.766 420 HG11 VAL 55 1HG1 VAL 55 -2.233 -12.140 1.531 421 HG12 VAL 55 2HG1 VAL 55 -3.077 -13.506 2.300 422 HG13 VAL 55 3HG1 VAL 55 -1.508 -12.945 2.920 423 HG21 VAL 55 3HG2 VAL 55 -0.534 -16.060 1.301 424 HG22 VAL 55 1HG2 VAL 55 -0.404 -15.054 2.745 425 HG23 VAL 55 2HG2 VAL 55 -1.970 -15.772 2.295 426 H HIS 56 H HIS 56 -1.213 -13.163 -2.126 427 HA HIS 56 HA HIS 56 -3.243 -11.036 -2.243 428 HB2 HIS 56 1HB HIS 56 -0.989 -10.424 -2.732 429 HB3 HIS 56 2HB HIS 56 -0.822 -11.687 -3.951 430 HD1 HIS 56 1HD HIS 56 -2.895 -8.457 -3.434 431 HD2 HIS 56 2HD HIS 56 -1.596 -11.143 -6.395 432 HE1 HIS 56 1HE HIS 56 -3.776 -7.544 -5.616 433 H LEU 57 H LEU 57 -2.434 -13.855 -4.350 434 HA LEU 57 HA LEU 57 -4.266 -13.285 -6.417 435 HB2 LEU 57 1HB LEU 57 -3.084 -15.840 -5.343 436 HB3 LEU 57 2HB LEU 57 -4.155 -15.874 -6.730 437 HG LEU 57 HG LEU 57 -1.621 -14.180 -6.699 438 HD11 LEU 57 1HD1 LEU 57 -0.597 -16.020 -7.995 439 HD12 LEU 57 2HD1 LEU 57 -2.052 -17.012 -7.743 440 HD13 LEU 57 3HD1 LEU 57 -1.035 -16.548 -6.363 441 HD21 LEU 57 3HD2 LEU 57 -3.438 -15.209 -8.925 442 HD22 LEU 57 1HD2 LEU 57 -1.886 -14.385 -9.157 443 HD23 LEU 57 2HD2 LEU 57 -3.235 -13.515 -8.417 444 H ARG 58 H ARG 58 -4.850 -15.079 -3.398 445 HA ARG 58 HA ARG 58 -7.520 -15.902 -3.968 446 HB2 ARG 58 1HB ARG 58 -7.795 -16.251 -1.608 447 HB3 ARG 58 2HB ARG 58 -6.216 -16.825 -2.156 448 HG2 ARG 58 1HG ARG 58 -5.149 -14.796 -1.274 449 HG3 ARG 58 2HG ARG 58 -6.703 -14.183 -0.693 450 HD2 ARG 58 1HD ARG 58 -5.424 -16.814 0.151 451 HD3 ARG 58 2HD ARG 58 -5.257 -15.313 1.057 452 HE ARG 58 HE ARG 58 -7.588 -17.080 0.951 453 HH11 ARG 58 2HH1 ARG 58 -6.605 -13.816 1.779 454 HH12 ARG 58 1HH1 ARG 58 -7.993 -13.566 2.802 455 HH21 ARG 58 2HH2 ARG 58 -9.333 -16.682 2.256 456 HH22 ARG 58 1HH2 ARG 58 -9.494 -15.148 3.057 457 H LYS 59 H LYS 59 -6.408 -12.676 -3.294 458 HA LYS 59 HA LYS 59 -8.993 -11.624 -2.438 459 HB2 LYS 59 1HB LYS 59 -6.628 -10.083 -3.586 460 HB3 LYS 59 2HB LYS 59 -7.988 -9.436 -2.664 461 HG2 LYS 59 1HG LYS 59 -7.257 -10.870 -0.707 462 HG3 LYS 59 2HG LYS 59 -5.812 -11.300 -1.643 463 HD2 LYS 59 1HD LYS 59 -5.164 -8.919 -1.767 464 HD3 LYS 59 2HD LYS 59 -6.599 -8.483 -0.810 465 HE2 LYS 59 1HE LYS 59 -5.792 -9.951 1.040 466 HE3 LYS 59 2HE LYS 59 -4.355 -10.351 0.094 467 HZ1 LYS 59 3HZ LYS 59 -5.072 -7.621 1.041 468 HZ2 LYS 59 1HZ LYS 59 -3.736 -7.984 0.172 469 HZ3 LYS 59 2HZ LYS 59 -3.910 -8.565 1.686 470 H HIS 60 H HIS 60 -7.480 -12.166 -5.574 471 HA HIS 60 HA HIS 60 -9.407 -10.640 -7.112 472 HB2 HIS 60 1HB HIS 60 -7.482 -12.872 -7.866 473 HB3 HIS 60 2HB HIS 60 -8.517 -12.052 -9.017 474 HD1 HIS 60 1HD HIS 60 -8.186 -9.208 -8.967 475 HD2 HIS 60 2HD HIS 60 -5.097 -11.756 -7.677 476 HE1 HIS 60 1HE HIS 60 -6.069 -7.826 -9.091 477 H THR 61 H THR 61 -9.777 -13.558 -5.386 478 HA THR 61 HA THR 61 -12.432 -13.980 -6.678 479 HB THR 61 HB THR 61 -10.887 -15.798 -7.228 480 HG1 THR 61 1HG THR 61 -13.027 -16.459 -5.514 481 HG21 THR 61 3HG2 THR 61 -9.458 -15.917 -5.280 482 HG22 THR 61 1HG2 THR 61 -10.269 -17.470 -5.515 483 HG23 THR 61 2HG2 THR 61 -10.824 -16.366 -4.236 484 H GLY 62 H GLY 62 -11.389 -12.350 -4.277 485 HA2 GLY 62 1HA GLY 62 -12.730 -13.519 -1.942 486 HA3 GLY 62 2HA GLY 62 -11.910 -11.968 -2.044 487 H GLU 63 H GLU 63 -13.992 -11.702 -0.633 488 HA GLU 63 HA GLU 63 -15.996 -10.288 -2.302 489 HB2 GLU 63 1HB GLU 63 -16.903 -12.535 -1.810 490 HB3 GLU 63 2HB GLU 63 -16.708 -12.243 -0.079 491 HG2 GLU 63 1HG GLU 63 -18.340 -10.423 -0.155 492 HG3 GLU 63 2HG GLU 63 -18.410 -10.507 -1.917 493 H LYS 64 H LYS 64 -16.678 -8.383 -1.462 494 HA LYS 64 HA LYS 64 -15.247 -7.350 0.908 495 HB2 LYS 64 1HB LYS 64 -16.873 -5.990 -1.267 496 HB3 LYS 64 2HB LYS 64 -16.210 -5.149 0.140 497 HG2 LYS 64 1HG LYS 64 -13.927 -5.852 -0.471 498 HG3 LYS 64 2HG LYS 64 -14.558 -6.692 -1.903 499 HD2 LYS 64 1HD LYS 64 -15.397 -4.530 -2.804 500 HD3 LYS 64 2HD LYS 64 -14.850 -3.708 -1.339 501 HE2 LYS 64 1HE LYS 64 -13.180 -3.273 -2.947 502 HE3 LYS 64 2HE LYS 64 -12.500 -4.466 -1.835 503 HZ1 LYS 64 3HZ LYS 64 -13.653 -5.079 -4.512 504 HZ2 LYS 64 1HZ LYS 64 -12.997 -6.187 -3.503 505 HZ3 LYS 64 2HZ LYS 64 -12.062 -5.027 -4.168 506 H PHE 65 H PHE 65 -16.117 -6.389 2.620 507 HA PHE 65 HA PHE 65 -19.047 -6.608 3.171 508 HB2 PHE 65 1HB PHE 65 -16.734 -6.708 5.149 509 HB3 PHE 65 2HB PHE 65 -18.447 -6.790 5.538 510 HD1 PHE 65 1HD PHE 65 -15.606 -8.616 4.006 511 HD2 PHE 65 2HD PHE 65 -19.731 -8.847 5.224 512 HE1 PHE 65 1HE PHE 65 -15.532 -11.089 3.772 513 HE2 PHE 65 2HE PHE 65 -19.664 -11.317 4.973 514 HZ PHE 65 HZ PHE 65 -17.561 -12.445 4.263 515 H ALA 66 H ALA 66 -20.048 -4.716 3.762 516 HA ALA 66 HA ALA 66 -18.406 -2.231 3.576 517 HB1 ALA 66 1HB ALA 66 -19.855 -2.722 1.626 518 HB2 ALA 66 2HB ALA 66 -21.273 -2.729 2.697 519 HB3 ALA 66 3HB ALA 66 -20.335 -1.238 2.473 520 H CYS 67 H CYS 67 -18.699 -0.554 4.906 521 HA CYS 67 HA CYS 67 -19.710 -0.984 7.536 522 HB2 CYS 67 1HB CYS 67 -17.767 0.377 6.848 523 HB3 CYS 67 2HB CYS 67 -18.858 1.557 6.107 524 H ASP 68 H ASP 68 -21.370 -0.120 8.646 525 HA ASP 68 HA ASP 68 -23.825 0.586 7.137 526 HB2 ASP 68 1HB ASP 68 -23.785 -1.213 8.896 527 HB3 ASP 68 2HB ASP 68 -23.447 0.030 10.100 528 H TYR 69 H TYR 69 -21.272 2.205 8.643 529 HA TYR 69 HA TYR 69 -22.917 4.582 9.435 530 HB2 TYR 69 1HB TYR 69 -20.230 3.641 10.424 531 HB3 TYR 69 2HB TYR 69 -21.114 5.035 11.022 532 HD1 TYR 69 1HD TYR 69 -23.170 4.727 12.396 533 HD2 TYR 69 2HD TYR 69 -20.780 1.383 11.088 534 HE1 TYR 69 1HE TYR 69 -24.279 3.270 14.083 535 HE2 TYR 69 2HE TYR 69 -21.890 -0.073 12.772 536 HH TYR 69 HH TYR 69 -23.490 -0.215 14.404 537 H CYS 70 H CYS 70 -20.297 3.548 7.339 538 HA CYS 70 HA CYS 70 -20.171 6.209 6.128 539 HB2 CYS 70 1HB CYS 70 -17.810 6.480 6.241 540 HB3 CYS 70 2HB CYS 70 -18.431 6.286 7.867 541 H SER 71 H SER 71 -18.198 5.868 4.309 542 HA SER 71 HA SER 71 -19.361 3.951 2.426 543 HB2 SER 71 1HB SER 71 -17.093 5.933 2.044 544 HB3 SER 71 2HB SER 71 -17.960 5.059 0.767 545 HG SER 71 HG SER 71 -18.771 7.188 1.062 546 H PHE 72 H PHE 72 -17.083 3.399 4.747 547 HA PHE 72 HA PHE 72 -14.863 2.301 3.383 548 HB2 PHE 72 1HB PHE 72 -14.849 2.975 5.716 549 HB3 PHE 72 2HB PHE 72 -16.030 1.737 6.118 550 HD1 PHE 72 1HD PHE 72 -12.493 2.307 5.097 551 HD2 PHE 72 2HD PHE 72 -15.387 -0.526 6.584 552 HE1 PHE 72 1HE PHE 72 -10.657 0.745 5.709 553 HE2 PHE 72 2HE PHE 72 -13.550 -2.071 7.212 554 HZ PHE 72 HZ PHE 72 -11.183 -1.437 6.777 555 H THR 73 H THR 73 -14.208 0.299 2.794 556 HA THR 73 HA THR 73 -15.929 -2.063 3.229 557 HB THR 73 HB THR 73 -15.229 -2.939 0.950 558 HG1 THR 73 1HG THR 73 -13.674 -1.292 0.512 559 HG21 THR 73 3HG2 THR 73 -17.027 -1.804 -0.279 560 HG22 THR 73 1HG2 THR 73 -17.114 -0.545 0.974 561 HG23 THR 73 2HG2 THR 73 -17.529 -2.232 1.364 562 H CYS 74 H CYS 74 -14.870 -3.980 3.522 563 HA CYS 74 HA CYS 74 -11.986 -4.207 2.996 564 HB2 CYS 74 1HB CYS 74 -11.444 -4.967 5.274 565 HB3 CYS 74 2HB CYS 74 -12.053 -3.309 5.287 566 HG CYS 74 HG CYS 74 -14.567 -3.974 5.810 567 H LEU 75 H LEU 75 -11.264 -6.554 3.547 568 HA LEU 75 HA LEU 75 -13.218 -8.245 2.144 569 HB2 LEU 75 1HB LEU 75 -10.574 -7.698 1.662 570 HB3 LEU 75 2HB LEU 75 -10.434 -9.203 2.558 571 HG LEU 75 HG LEU 75 -12.119 -10.205 0.885 572 HD11 LEU 75 1HD1 LEU 75 -13.062 -8.061 0.012 573 HD12 LEU 75 2HD1 LEU 75 -12.349 -9.027 -1.283 574 HD13 LEU 75 3HD1 LEU 75 -11.472 -7.625 -0.628 575 HD21 LEU 75 3HD2 LEU 75 -9.698 -10.613 0.711 576 HD22 LEU 75 1HD2 LEU 75 -9.493 -9.104 -0.208 577 HD23 LEU 75 2HD2 LEU 75 -10.425 -10.453 -0.896 578 H SER 76 H SER 76 -13.131 -7.823 5.230 579 HA SER 76 HA SER 76 -13.974 -10.583 5.822 580 HB2 SER 76 1HB SER 76 -11.670 -10.763 6.463 581 HB3 SER 76 2HB SER 76 -11.716 -9.210 7.317 582 HG SER 76 HG SER 76 -11.927 -11.199 8.632 583 H LYS 77 H LYS 77 -15.717 -10.613 7.133 584 HA LYS 77 HA LYS 77 -16.938 -8.233 8.187 585 HB2 LYS 77 1HB LYS 77 -18.515 -9.731 9.274 586 HB3 LYS 77 2HB LYS 77 -18.246 -10.177 7.592 587 HG2 LYS 77 1HG LYS 77 -16.764 -12.045 8.309 588 HG3 LYS 77 2HG LYS 77 -16.967 -11.561 9.997 589 HD2 LYS 77 1HD LYS 77 -18.383 -13.446 9.557 590 HD3 LYS 77 2HD LYS 77 -19.396 -12.027 9.856 591 HE2 LYS 77 1HE LYS 77 -19.741 -11.750 7.414 592 HE3 LYS 77 2HE LYS 77 -18.673 -13.126 7.097 593 HZ1 LYS 77 3HZ LYS 77 -21.246 -13.272 8.584 594 HZ2 LYS 77 1HZ LYS 77 -20.262 -14.543 8.289 595 HZ3 LYS 77 2HZ LYS 77 -21.011 -13.789 7.054 596 H GLY 78 H GLY 78 -14.539 -10.386 9.564 597 HA2 GLY 78 1HA GLY 78 -14.750 -9.493 12.326 598 HA3 GLY 78 2HA GLY 78 -13.378 -10.316 11.566 599 H HIS 79 H HIS 79 -12.683 -8.550 9.524 600 HA HIS 79 HA HIS 79 -11.320 -6.412 10.893 601 HB2 HIS 79 1HB HIS 79 -10.590 -7.536 8.759 602 HB3 HIS 79 2HB HIS 79 -11.863 -6.660 7.910 603 HD1 HIS 79 1HD HIS 79 -8.334 -6.267 9.084 604 HD2 HIS 79 2HD HIS 79 -11.592 -3.805 8.067 605 HE1 HIS 79 1HE HIS 79 -7.379 -3.935 8.700 606 H LEU 80 H LEU 80 -14.386 -6.512 9.021 607 HA LEU 80 HA LEU 80 -14.883 -3.728 9.138 608 HB2 LEU 80 1HB LEU 80 -16.078 -5.347 7.647 609 HB3 LEU 80 2HB LEU 80 -16.911 -5.996 9.058 610 HG LEU 80 HG LEU 80 -17.970 -3.790 9.470 611 HD11 LEU 80 1HD1 LEU 80 -16.316 -2.253 8.504 612 HD12 LEU 80 2HD1 LEU 80 -17.855 -2.050 7.696 613 HD13 LEU 80 3HD1 LEU 80 -16.566 -2.961 6.887 614 HD21 LEU 80 3HD2 LEU 80 -19.047 -5.517 8.025 615 HD22 LEU 80 1HD2 LEU 80 -18.355 -4.697 6.605 616 HD23 LEU 80 2HD2 LEU 80 -19.524 -3.857 7.646 617 H LYS 81 H LYS 81 -15.875 -6.306 11.453 618 HA LYS 81 HA LYS 81 -17.242 -4.615 13.293 619 HB2 LYS 81 1HB LYS 81 -17.185 -7.155 13.245 620 HB3 LYS 81 2HB LYS 81 -15.561 -7.086 13.916 621 HG2 LYS 81 1HG LYS 81 -17.098 -7.553 15.683 622 HG3 LYS 81 2HG LYS 81 -16.475 -5.922 15.937 623 HD2 LYS 81 1HD LYS 81 -18.577 -4.941 15.106 624 HD3 LYS 81 2HD LYS 81 -19.134 -6.532 14.575 625 HE2 LYS 81 1HE LYS 81 -20.301 -6.106 16.579 626 HE3 LYS 81 2HE LYS 81 -19.068 -7.307 16.973 627 HZ1 LYS 81 3HZ LYS 81 -19.152 -5.569 18.648 628 HZ2 LYS 81 1HZ LYS 81 -18.885 -4.396 17.547 629 HZ3 LYS 81 2HZ LYS 81 -17.702 -5.472 17.904 630 H VAL 82 H VAL 82 -13.779 -5.381 13.041 631 HA VAL 82 HA VAL 82 -12.964 -3.726 15.274 632 HB VAL 82 HB VAL 82 -11.442 -4.972 12.957 633 HG11 VAL 82 1HG1 VAL 82 -10.059 -3.135 13.663 634 HG12 VAL 82 2HG1 VAL 82 -10.334 -3.506 15.385 635 HG13 VAL 82 3HG1 VAL 82 -9.390 -4.605 14.352 636 HG21 VAL 82 3HG2 VAL 82 -12.449 -6.541 14.628 637 HG22 VAL 82 1HG2 VAL 82 -10.686 -6.555 14.673 638 HG23 VAL 82 2HG2 VAL 82 -11.598 -5.679 15.922 639 H HIS 83 H HIS 83 -13.432 -2.951 11.799 640 HA HIS 83 HA HIS 83 -12.414 -0.239 11.986 641 HB2 HIS 83 1HB HIS 83 -12.731 -1.099 9.803 642 HB3 HIS 83 2HB HIS 83 -14.361 -1.648 10.141 643 HD1 HIS 83 1HD HIS 83 -12.504 1.598 9.299 644 HD2 HIS 83 2HD HIS 83 -16.370 0.066 9.868 645 HE1 HIS 83 1HE HIS 83 -14.088 3.425 8.538 646 H ILE 84 H ILE 84 -15.711 -1.612 12.431 647 HA ILE 84 HA ILE 84 -16.973 0.853 13.079 648 HB ILE 84 HB ILE 84 -17.692 -2.016 13.755 649 HG12 ILE 84 1HG1 ILE 84 -18.912 -0.112 11.697 650 HG13 ILE 84 2HG1 ILE 84 -17.620 -1.228 11.306 651 HG21 ILE 84 1HG2 ILE 84 -18.815 -0.573 15.394 652 HG22 ILE 84 2HG2 ILE 84 -19.393 0.501 14.093 653 HG23 ILE 84 3HG2 ILE 84 -19.991 -1.165 14.241 654 HD11 ILE 84 3HD1 ILE 84 -19.045 -3.152 11.971 655 HD12 ILE 84 1HD1 ILE 84 -20.401 -2.026 12.223 656 HD13 ILE 84 2HD1 ILE 84 -19.690 -2.208 10.615 657 H GLU 85 H GLU 85 -15.541 -1.581 15.292 658 HA GLU 85 HA GLU 85 -16.125 -0.204 17.695 659 HB2 GLU 85 1HB GLU 85 -13.982 -2.206 16.906 660 HB3 GLU 85 2HB GLU 85 -14.099 -1.570 18.554 661 HG2 GLU 85 1HG GLU 85 -16.365 -2.376 18.801 662 HG3 GLU 85 2HG GLU 85 -16.426 -2.919 17.133 663 H ARG 86 H ARG 86 -13.449 0.400 15.445 664 HA ARG 86 HA ARG 86 -12.071 2.216 17.344 665 HB2 ARG 86 1HB ARG 86 -11.476 1.331 14.512 666 HB3 ARG 86 2HB ARG 86 -10.484 2.473 15.426 667 HG2 ARG 86 1HG ARG 86 -10.068 0.799 17.180 668 HG3 ARG 86 2HG ARG 86 -11.053 -0.394 16.328 669 HD2 ARG 86 1HD ARG 86 -8.570 0.971 15.242 670 HD3 ARG 86 2HD ARG 86 -8.621 -0.671 15.923 671 HE ARG 86 HE ARG 86 -10.524 -0.825 13.992 672 HH11 ARG 86 2HH1 ARG 86 -7.180 0.216 13.782 673 HH12 ARG 86 1HH1 ARG 86 -7.041 -0.227 12.104 674 HH21 ARG 86 2HH2 ARG 86 -10.262 -1.391 11.829 675 HH22 ARG 86 1HH2 ARG 86 -8.742 -1.118 11.042 676 H VAL 87 H VAL 87 -13.908 2.507 14.314 677 HA VAL 87 HA VAL 87 -13.344 5.409 14.207 678 HB VAL 87 HB VAL 87 -14.707 3.597 12.184 679 HG11 VAL 87 1HG1 VAL 87 -14.170 5.406 10.570 680 HG12 VAL 87 2HG1 VAL 87 -15.301 5.958 11.803 681 HG13 VAL 87 3HG1 VAL 87 -13.589 6.424 11.905 682 HG21 VAL 87 3HG2 VAL 87 -11.831 4.620 12.373 683 HG22 VAL 87 1HG2 VAL 87 -12.353 2.927 12.506 684 HG23 VAL 87 2HG2 VAL 87 -12.520 3.777 10.971 685 H HIS 88 H HIS 88 -16.165 3.306 14.727 686 HA HIS 88 HA HIS 88 -17.913 5.742 14.836 687 HB2 HIS 88 1HB HIS 88 -18.657 2.886 14.155 688 HB3 HIS 88 2HB HIS 88 -19.721 4.293 14.118 689 HD1 HIS 88 1HD HIS 88 -18.578 6.348 12.326 690 HD2 HIS 88 2HD HIS 88 -17.741 2.268 11.816 691 HE1 HIS 88 1HE HIS 88 -17.794 6.096 9.922 692 H LYS 89 H LYS 89 -16.873 2.965 16.684 693 HA LYS 89 HA LYS 89 -18.569 3.843 19.001 694 HB2 LYS 89 1HB LYS 89 -17.071 1.236 18.830 695 HB3 LYS 89 2HB LYS 89 -18.349 1.675 19.939 696 HG2 LYS 89 1HG LYS 89 -18.701 1.149 16.959 697 HG3 LYS 89 2HG LYS 89 -19.109 0.048 18.272 698 HD2 LYS 89 1HD LYS 89 -20.818 1.574 19.101 699 HD3 LYS 89 2HD LYS 89 -20.368 2.794 17.890 700 HE2 LYS 89 1HE LYS 89 -20.957 1.219 16.068 701 HE3 LYS 89 2HE LYS 89 -21.447 0.013 17.265 702 HZ1 LYS 89 3HZ LYS 89 -23.190 1.519 18.006 703 HZ2 LYS 89 1HZ LYS 89 -23.330 1.316 16.386 704 HZ3 LYS 89 2HZ LYS 89 -22.697 2.697 16.982 705 H LYS 90 H LYS 90 -17.359 3.285 21.140 706 HA LYS 90 HA LYS 90 -14.677 4.583 21.149 707 HB2 LYS 90 1HB LYS 90 -16.434 3.652 23.456 708 HB3 LYS 90 2HB LYS 90 -14.902 4.501 23.613 709 HG2 LYS 90 1HG LYS 90 -17.450 5.632 22.370 710 HG3 LYS 90 2HG LYS 90 -16.807 5.992 23.973 711 HD2 LYS 90 1HD LYS 90 -14.751 6.960 22.913 712 HD3 LYS 90 2HD LYS 90 -15.485 6.693 21.313 713 HE2 LYS 90 1HE LYS 90 -17.410 8.117 21.953 714 HE3 LYS 90 2HE LYS 90 -16.692 8.383 23.546 715 HZ1 LYS 90 3HZ LYS 90 -14.807 9.467 22.443 716 HZ2 LYS 90 1HZ LYS 90 -16.195 10.217 22.036 717 HZ3 LYS 90 2HZ LYS 90 -15.469 9.222 20.969 718 H ILE 91 H ILE 91 -12.820 3.571 21.795 719 HA ILE 91 HA ILE 91 -12.677 0.702 21.297 720 HB ILE 91 HB ILE 91 -10.532 2.726 22.037 721 HG12 ILE 91 1HG1 ILE 91 -11.244 1.409 19.371 722 HG13 ILE 91 2HG1 ILE 91 -11.657 3.064 19.812 723 HG21 ILE 91 1HG2 ILE 91 -10.229 -0.170 21.096 724 HG22 ILE 91 2HG2 ILE 91 -8.903 0.984 21.357 725 HG23 ILE 91 3HG2 ILE 91 -9.848 0.436 22.724 726 HD11 ILE 91 3HD1 ILE 91 -9.213 3.593 20.025 727 HD12 ILE 91 1HD1 ILE 91 -8.862 1.983 19.342 728 HD13 ILE 91 2HD1 ILE 91 -9.758 3.172 18.389 729 H LYS 92 H LYS 92 -12.563 -0.882 22.706 730 HA LYS 92 HA LYS 92 -13.062 -0.385 25.570 731 HB2 LYS 92 1HB LYS 92 -13.084 -2.936 23.909 732 HB3 LYS 92 2HB LYS 92 -13.456 -2.841 25.634 733 HG2 LYS 92 1HG LYS 92 -15.359 -1.314 25.161 734 HG3 LYS 92 2HG LYS 92 -14.980 -1.359 23.440 735 HD2 LYS 92 1HD LYS 92 -16.837 -2.850 23.872 736 HD3 LYS 92 2HD LYS 92 -15.432 -3.766 23.346 737 HE2 LYS 92 1HE LYS 92 -16.504 -4.991 25.103 738 HE3 LYS 92 2HE LYS 92 -14.957 -4.405 25.711 739 HZ1 LYS 92 3HZ LYS 92 -16.170 -2.620 26.861 740 HZ2 LYS 92 1HZ LYS 92 -16.758 -4.069 27.316 741 HZ3 LYS 92 2HZ LYS 92 -17.599 -3.149 26.266 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 21.939 29.964 16.465 2 H2 GLY 1 2H GLY 1 22.978 29.924 15.199 3 H3 GLY 1 3H GLY 1 23.216 28.936 16.482 4 HA2 GLY 1 1HA GLY 1 21.179 27.733 16.017 5 HA3 GLY 1 2HA GLY 1 20.938 28.794 14.617 6 H SER 2 H SER 2 20.975 27.047 13.152 7 HA SER 2 HA SER 2 23.025 25.073 12.987 8 HB2 SER 2 1HB SER 2 21.180 26.096 10.798 9 HB3 SER 2 2HB SER 2 22.073 24.563 10.795 10 HG SER 2 HG SER 2 19.885 24.316 11.490 11 H SER 3 H SER 3 24.627 24.728 11.419 12 HA SER 3 HA SER 3 25.947 27.171 10.292 13 HB2 SER 3 1HB SER 3 27.166 25.868 12.055 14 HB3 SER 3 2HB SER 3 27.163 24.468 10.966 15 HG SER 3 HG SER 3 29.093 25.730 10.812 16 H GLY 4 H GLY 4 27.269 26.663 8.285 17 HA2 GLY 4 1HA GLY 4 25.689 25.545 6.137 18 HA3 GLY 4 2HA GLY 4 27.389 26.024 6.065 19 H SER 5 H SER 5 27.900 24.082 8.416 20 HA SER 5 HA SER 5 28.231 21.585 6.880 21 HB2 SER 5 1HB SER 5 29.637 20.925 8.801 22 HB3 SER 5 2HB SER 5 30.150 22.450 8.062 23 HG SER 5 HG SER 5 30.085 22.566 10.364 24 H SER 6 H SER 6 25.790 22.800 8.919 25 HA SER 6 HA SER 6 25.193 20.385 10.416 26 HB2 SER 6 1HB SER 6 23.452 22.807 9.833 27 HB3 SER 6 2HB SER 6 23.114 21.548 11.027 28 HG SER 6 HG SER 6 25.016 22.143 12.137 29 H GLY 7 H GLY 7 23.327 19.053 10.221 30 HA2 GLY 7 1HA GLY 7 21.672 17.834 9.140 31 HA3 GLY 7 2HA GLY 7 21.656 19.017 7.839 32 H LYS 8 H LYS 8 21.339 17.045 6.558 33 HA LYS 8 HA LYS 8 23.880 15.922 5.524 34 HB2 LYS 8 1HB LYS 8 23.006 14.417 7.331 35 HB3 LYS 8 2HB LYS 8 21.517 14.190 6.414 36 HG2 LYS 8 1HG LYS 8 22.686 13.032 4.648 37 HG3 LYS 8 2HG LYS 8 24.270 13.473 5.305 38 HD2 LYS 8 1HD LYS 8 22.250 11.702 6.751 39 HD3 LYS 8 2HD LYS 8 23.537 11.091 5.699 40 HE2 LYS 8 1HE LYS 8 25.241 12.192 7.146 41 HE3 LYS 8 2HE LYS 8 23.958 12.750 8.226 42 HZ1 LYS 8 3HZ LYS 8 23.399 10.418 8.661 43 HZ2 LYS 8 1HZ LYS 8 24.961 10.696 9.037 44 HZ3 LYS 8 2HZ LYS 8 24.587 9.900 7.664 45 H ILE 9 H ILE 9 23.661 14.821 3.514 46 HA ILE 9 HA ILE 9 21.368 15.549 1.776 47 HB ILE 9 HB ILE 9 24.289 16.103 1.085 48 HG12 ILE 9 1HG1 ILE 9 22.057 18.110 1.661 49 HG13 ILE 9 2HG1 ILE 9 23.409 17.757 2.739 50 HG21 ILE 9 1HG2 ILE 9 22.987 15.439 -0.872 51 HG22 ILE 9 2HG2 ILE 9 21.726 16.632 -0.476 52 HG23 ILE 9 3HG2 ILE 9 23.357 17.139 -0.970 53 HD11 ILE 9 3HD1 ILE 9 25.009 18.530 1.006 54 HD12 ILE 9 1HD1 ILE 9 23.620 19.109 0.044 55 HD13 ILE 9 2HD1 ILE 9 23.928 19.776 1.653 56 H PHE 10 H PHE 10 21.015 14.024 0.137 57 HA PHE 10 HA PHE 10 22.659 11.518 0.264 58 HB2 PHE 10 1HB PHE 10 19.652 11.858 -0.034 59 HB3 PHE 10 2HB PHE 10 20.522 10.335 -0.101 60 HD1 PHE 10 1HD PHE 10 19.452 13.098 2.129 61 HD2 PHE 10 2HD PHE 10 21.392 9.255 1.907 62 HE1 PHE 10 1HE PHE 10 19.297 12.881 4.599 63 HE2 PHE 10 2HE PHE 10 21.237 9.039 4.375 64 HZ PHE 10 HZ PHE 10 20.176 10.836 5.722 65 H THR 11 H THR 11 23.321 10.626 -1.667 66 HA THR 11 HA THR 11 22.440 11.961 -4.194 67 HB THR 11 HB THR 11 25.294 11.318 -3.392 68 HG1 THR 11 1HG THR 11 25.508 13.531 -3.154 69 HG21 THR 11 3HG2 THR 11 25.863 12.782 -5.318 70 HG22 THR 11 1HG2 THR 11 24.136 12.903 -5.724 71 HG23 THR 11 2HG2 THR 11 24.978 11.340 -5.829 72 H CYS 12 H CYS 12 22.149 10.720 -5.924 73 HA CYS 12 HA CYS 12 22.288 7.811 -5.761 74 HB2 CYS 12 1HB CYS 12 20.442 8.960 -6.827 75 HB3 CYS 12 2HB CYS 12 21.547 9.760 -7.967 76 H GLU 13 H GLU 13 23.916 6.555 -6.372 77 HA GLU 13 HA GLU 13 26.354 7.696 -7.545 78 HB2 GLU 13 1HB GLU 13 27.377 5.582 -7.090 79 HB3 GLU 13 2HB GLU 13 26.475 6.116 -5.675 80 HG2 GLU 13 1HG GLU 13 24.614 4.562 -6.297 81 HG3 GLU 13 2HG GLU 13 25.555 4.013 -7.688 82 H TYR 14 H TYR 14 23.520 6.491 -8.907 83 HA TYR 14 HA TYR 14 24.870 5.270 -11.269 84 HB2 TYR 14 1HB TYR 14 21.981 5.251 -10.385 85 HB3 TYR 14 2HB TYR 14 22.626 4.414 -11.786 86 HD1 TYR 14 2HD TYR 14 24.203 2.481 -11.491 87 HD2 TYR 14 1HD TYR 14 22.173 4.331 -8.164 88 HE1 TYR 14 2HE TYR 14 24.650 0.463 -10.091 89 HE2 TYR 14 1HE TYR 14 22.626 2.318 -6.768 90 HH TYR 14 HH TYR 14 23.564 0.229 -6.682 91 H CYS 15 H CYS 15 22.766 8.016 -10.435 92 HA CYS 15 HA CYS 15 23.193 9.077 -13.176 93 HB2 CYS 15 1HB CYS 15 20.936 9.767 -13.424 94 HB3 CYS 15 2HB CYS 15 21.015 8.025 -13.174 95 H ASN 16 H ASN 16 24.026 9.698 -10.178 96 HA ASN 16 HA ASN 16 24.744 11.448 -9.009 97 HB2 ASN 16 1HB ASN 16 26.006 11.600 -11.210 98 HB3 ASN 16 2HB ASN 16 24.933 12.933 -11.638 99 HD21 ASN 16 1HD2 ASN 16 26.783 14.355 -11.742 100 HD22 ASN 16 2HD2 ASN 16 27.567 14.897 -10.264 101 H LYS 17 H LYS 17 21.766 11.393 -9.474 102 HA LYS 17 HA LYS 17 20.864 14.145 -9.078 103 HB2 LYS 17 1HB LYS 17 19.579 11.418 -8.720 104 HB3 LYS 17 2HB LYS 17 18.744 12.928 -8.289 105 HG2 LYS 17 1HG LYS 17 18.924 13.740 -10.597 106 HG3 LYS 17 2HG LYS 17 19.860 12.298 -11.037 107 HD2 LYS 17 1HD LYS 17 17.868 10.899 -10.244 108 HD3 LYS 17 2HD LYS 17 16.966 12.398 -10.049 109 HE2 LYS 17 1HE LYS 17 16.420 11.250 -12.126 110 HE3 LYS 17 2HE LYS 17 17.102 12.851 -12.440 111 HZ1 LYS 17 3HZ LYS 17 18.775 10.392 -12.507 112 HZ2 LYS 17 1HZ LYS 17 19.157 11.858 -13.087 113 HZ3 LYS 17 2HZ LYS 17 18.018 10.974 -13.854 114 H VAL 18 H VAL 18 20.037 15.028 -7.222 115 HA VAL 18 HA VAL 18 21.184 14.016 -4.643 116 HB VAL 18 HB VAL 18 20.941 16.912 -5.522 117 HG11 VAL 18 1HG1 VAL 18 20.698 16.703 -3.081 118 HG12 VAL 18 2HG1 VAL 18 22.120 15.634 -3.020 119 HG13 VAL 18 3HG1 VAL 18 22.295 17.346 -3.460 120 HG21 VAL 18 3HG2 VAL 18 22.797 15.774 -6.704 121 HG22 VAL 18 1HG2 VAL 18 23.422 16.889 -5.488 122 HG23 VAL 18 2HG2 VAL 18 23.401 15.144 -5.155 123 H PHE 19 H PHE 19 19.962 14.008 -2.890 124 HA PHE 19 HA PHE 19 17.115 14.879 -2.988 125 HB2 PHE 19 1HB PHE 19 18.179 12.178 -2.067 126 HB3 PHE 19 2HB PHE 19 16.505 12.702 -2.032 127 HD1 PHE 19 2HD PHE 19 15.195 12.940 -4.151 128 HD2 PHE 19 1HD PHE 19 19.229 11.426 -4.135 129 HE1 PHE 19 2HE PHE 19 14.904 12.139 -6.486 130 HE2 PHE 19 1HE PHE 19 18.934 10.622 -6.466 131 HZ PHE 19 HZ PHE 19 16.783 11.011 -7.665 132 H LYS 20 H LYS 20 16.160 15.326 -0.979 133 HA LYS 20 HA LYS 20 18.020 16.342 1.003 134 HB2 LYS 20 1HB LYS 20 15.991 17.547 0.210 135 HB3 LYS 20 2HB LYS 20 14.981 16.320 0.955 136 HG2 LYS 20 1HG LYS 20 15.004 18.297 2.298 137 HG3 LYS 20 2HG LYS 20 15.767 17.007 3.204 138 HD2 LYS 20 1HD LYS 20 17.429 19.029 1.646 139 HD3 LYS 20 2HD LYS 20 16.764 19.416 3.238 140 HE2 LYS 20 1HE LYS 20 17.897 17.442 4.225 141 HE3 LYS 20 2HE LYS 20 18.617 17.068 2.666 142 HZ1 LYS 20 3HZ LYS 20 19.144 19.502 4.263 143 HZ2 LYS 20 1HZ LYS 20 19.718 19.268 2.746 144 HZ3 LYS 20 2HZ LYS 20 20.175 18.257 3.952 145 H PHE 21 H PHE 21 16.033 13.460 0.834 146 HA PHE 21 HA PHE 21 16.788 12.761 3.644 147 HB2 PHE 21 1HB PHE 21 14.118 12.195 2.325 148 HB3 PHE 21 2HB PHE 21 14.587 11.822 3.975 149 HD1 PHE 21 2HD PHE 21 15.153 13.789 5.566 150 HD2 PHE 21 1HD PHE 21 13.103 14.285 1.804 151 HE1 PHE 21 2HE PHE 21 14.277 15.986 6.331 152 HE2 PHE 21 1HE PHE 21 12.227 16.479 2.572 153 HZ PHE 21 HZ PHE 21 12.810 17.330 4.836 154 H LYS 22 H LYS 22 16.958 10.594 4.182 155 HA LYS 22 HA LYS 22 18.206 8.870 2.316 156 HB2 LYS 22 1HB LYS 22 18.359 8.901 4.871 157 HB3 LYS 22 2HB LYS 22 16.824 8.034 4.908 158 HG2 LYS 22 1HG LYS 22 17.852 6.175 3.608 159 HG3 LYS 22 2HG LYS 22 19.374 7.087 3.513 160 HD2 LYS 22 1HD LYS 22 19.508 7.068 6.016 161 HD3 LYS 22 2HD LYS 22 18.025 6.090 6.066 162 HE2 LYS 22 1HE LYS 22 19.166 4.334 4.706 163 HE3 LYS 22 2HE LYS 22 20.639 5.316 4.692 164 HZ1 LYS 22 3HZ LYS 22 20.716 3.626 6.438 165 HZ2 LYS 22 1HZ LYS 22 19.357 4.201 7.134 166 HZ3 LYS 22 2HZ LYS 22 20.717 5.107 7.122 167 H HIS 23 H HIS 23 14.820 8.882 3.460 168 HA HIS 23 HA HIS 23 14.023 6.546 2.006 169 HB2 HIS 23 1HB HIS 23 11.740 7.263 2.487 170 HB3 HIS 23 2HB HIS 23 12.772 7.298 3.905 171 HD1 HIS 23 1HD HIS 23 12.790 9.564 5.238 172 HD2 HIS 23 2HD HIS 23 11.083 9.766 1.397 173 HE1 HIS 23 1HE HIS 23 11.737 11.875 5.044 174 H SER 24 H SER 24 14.176 9.975 1.009 175 HA SER 24 HA SER 24 12.772 9.676 -1.474 176 HB2 SER 24 1HB SER 24 15.009 11.613 -0.780 177 HB3 SER 24 2HB SER 24 13.854 11.775 -2.111 178 HG SER 24 HG SER 24 12.193 11.996 -0.584 179 H LEU 25 H LEU 25 16.303 9.483 -0.700 180 HA LEU 25 HA LEU 25 17.056 8.708 -3.360 181 HB2 LEU 25 1HB LEU 25 18.683 9.638 -1.817 182 HB3 LEU 25 2HB LEU 25 18.431 8.311 -0.678 183 HG LEU 25 HG LEU 25 19.363 6.702 -2.317 184 HD11 LEU 25 1HD1 LEU 25 20.534 7.486 -4.329 185 HD12 LEU 25 2HD1 LEU 25 19.975 9.146 -4.036 186 HD13 LEU 25 3HD1 LEU 25 18.818 7.861 -4.448 187 HD21 LEU 25 3HD2 LEU 25 20.852 7.809 -0.683 188 HD22 LEU 25 1HD2 LEU 25 21.207 9.064 -1.897 189 HD23 LEU 25 2HD2 LEU 25 21.682 7.384 -2.191 190 H GLN 26 H GLN 26 16.271 6.683 -0.454 191 HA GLN 26 HA GLN 26 16.791 4.179 -1.703 192 HB2 GLN 26 1HB GLN 26 14.975 5.036 0.569 193 HB3 GLN 26 2HB GLN 26 15.038 3.362 0.050 194 HG2 GLN 26 1HG GLN 26 17.482 4.978 0.928 195 HG3 GLN 26 2HG GLN 26 16.564 3.910 1.983 196 HE21 GLN 26 1HE2 GLN 26 19.325 3.519 1.604 197 HE22 GLN 26 2HE2 GLN 26 19.534 2.025 0.703 198 H ALA 27 H ALA 27 13.742 6.088 -1.709 199 HA ALA 27 HA ALA 27 12.304 4.128 -3.270 200 HB1 ALA 27 1HB ALA 27 11.230 5.757 -1.794 201 HB2 ALA 27 2HB ALA 27 11.805 7.091 -2.827 202 HB3 ALA 27 3HB ALA 27 10.640 5.905 -3.466 203 H HIS 28 H HIS 28 14.367 6.911 -4.175 204 HA HIS 28 HA HIS 28 13.808 6.782 -7.006 205 HB2 HIS 28 1HB HIS 28 14.794 8.770 -6.097 206 HB3 HIS 28 2HB HIS 28 16.130 7.872 -5.377 207 HD1 HIS 28 1HD HIS 28 14.823 8.660 -8.943 208 HD2 HIS 28 2HD HIS 28 18.264 7.499 -6.824 209 HE1 HIS 28 1HE HIS 28 16.686 8.566 -10.654 210 H LEU 29 H LEU 29 16.318 5.226 -4.963 211 HA LEU 29 HA LEU 29 17.844 4.058 -6.995 212 HB2 LEU 29 1HB LEU 29 17.319 3.325 -4.103 213 HB3 LEU 29 2HB LEU 29 18.375 2.329 -5.087 214 HG LEU 29 HG LEU 29 18.853 5.311 -4.704 215 HD11 LEU 29 1HD1 LEU 29 20.076 2.933 -3.237 216 HD12 LEU 29 2HD1 LEU 29 18.981 4.141 -2.534 217 HD13 LEU 29 3HD1 LEU 29 20.590 4.628 -3.083 218 HD21 LEU 29 3HD2 LEU 29 21.156 4.724 -5.409 219 HD22 LEU 29 1HD2 LEU 29 19.984 4.392 -6.680 220 HD23 LEU 29 2HD2 LEU 29 20.629 3.052 -5.709 221 H ARG 30 H ARG 30 14.691 2.981 -5.963 222 HA ARG 30 HA ARG 30 14.682 0.265 -6.734 223 HB2 ARG 30 1HB ARG 30 12.524 2.381 -7.127 224 HB3 ARG 30 2HB ARG 30 12.262 0.638 -7.250 225 HG2 ARG 30 1HG ARG 30 12.944 0.338 -4.888 226 HG3 ARG 30 2HG ARG 30 13.167 2.084 -4.719 227 HD2 ARG 30 1HD ARG 30 10.552 0.693 -5.428 228 HD3 ARG 30 2HD ARG 30 10.989 1.315 -3.826 229 HE ARG 30 HE ARG 30 11.292 3.469 -5.608 230 HH11 ARG 30 2HH1 ARG 30 8.581 1.565 -4.456 231 HH12 ARG 30 1HH1 ARG 30 7.449 2.858 -4.739 232 HH21 ARG 30 2HH2 ARG 30 9.823 5.030 -5.980 233 HH22 ARG 30 1HH2 ARG 30 8.145 4.788 -5.579 234 H ILE 31 H ILE 31 14.798 3.068 -8.919 235 HA ILE 31 HA ILE 31 14.125 1.508 -11.278 236 HB ILE 31 HB ILE 31 14.556 3.367 -12.550 237 HG12 ILE 31 1HG1 ILE 31 16.069 4.656 -10.261 238 HG13 ILE 31 2HG1 ILE 31 16.714 4.101 -11.802 239 HG21 ILE 31 1HG2 ILE 31 12.530 3.370 -11.048 240 HG22 ILE 31 2HG2 ILE 31 13.397 4.494 -9.975 241 HG23 ILE 31 3HG2 ILE 31 13.009 4.960 -11.641 242 HD11 ILE 31 3HD1 ILE 31 16.515 6.462 -11.950 243 HD12 ILE 31 1HD1 ILE 31 15.252 5.756 -12.982 244 HD13 ILE 31 2HD1 ILE 31 14.831 6.436 -11.387 245 H HIS 32 H HIS 32 17.046 2.022 -9.523 246 HA HIS 32 HA HIS 32 18.803 1.164 -11.765 247 HB2 HIS 32 1HB HIS 32 19.487 2.252 -9.013 248 HB3 HIS 32 2HB HIS 32 20.619 1.927 -10.314 249 HD1 HIS 32 1HD HIS 32 19.865 3.517 -12.702 250 HD2 HIS 32 2HD HIS 32 19.034 4.754 -8.780 251 HE1 HIS 32 1HE HIS 32 19.678 6.051 -12.802 252 H THR 33 H THR 33 17.645 -0.000 -8.598 253 HA THR 33 HA THR 33 19.755 -1.963 -8.341 254 HB THR 33 HB THR 33 18.533 -2.688 -6.306 255 HG1 THR 33 1HG THR 33 16.850 -1.322 -5.621 256 HG21 THR 33 3HG2 THR 33 18.990 -0.628 -5.033 257 HG22 THR 33 1HG2 THR 33 19.093 0.302 -6.545 258 HG23 THR 33 2HG2 THR 33 20.285 -0.965 -6.194 259 H ASN 34 H ASN 34 16.354 -2.921 -7.905 260 HA ASN 34 HA ASN 34 16.511 -4.975 -9.998 261 HB2 ASN 34 1HB ASN 34 17.858 -5.816 -7.955 262 HB3 ASN 34 2HB ASN 34 16.329 -5.854 -7.081 263 HD21 ASN 34 1HD2 ASN 34 17.017 -8.193 -6.872 264 HD22 ASN 34 2HD2 ASN 34 16.569 -9.270 -8.187 265 H GLU 35 H GLU 35 14.567 -6.348 -10.055 266 HA GLU 35 HA GLU 35 12.074 -4.932 -9.186 267 HB2 GLU 35 1HB GLU 35 12.596 -6.925 -11.423 268 HB3 GLU 35 2HB GLU 35 10.991 -6.377 -10.927 269 HG2 GLU 35 1HG GLU 35 11.571 -4.047 -11.472 270 HG3 GLU 35 2HG GLU 35 13.205 -4.540 -11.934 271 H LYS 36 H LYS 36 10.299 -6.184 -8.413 272 HA LYS 36 HA LYS 36 10.985 -8.421 -6.649 273 HB2 LYS 36 1HB LYS 36 8.415 -6.946 -7.278 274 HB3 LYS 36 2HB LYS 36 8.485 -8.339 -6.194 275 HG2 LYS 36 1HG LYS 36 10.101 -7.161 -4.741 276 HG3 LYS 36 2HG LYS 36 10.062 -5.755 -5.823 277 HD2 LYS 36 1HD LYS 36 7.624 -5.496 -5.392 278 HD3 LYS 36 2HD LYS 36 7.684 -6.883 -4.285 279 HE2 LYS 36 1HE LYS 36 9.322 -5.688 -2.861 280 HE3 LYS 36 2HE LYS 36 9.283 -4.306 -3.964 281 HZ1 LYS 36 3HZ LYS 36 6.946 -5.312 -2.421 282 HZ2 LYS 36 1HZ LYS 36 6.919 -4.030 -3.436 283 HZ3 LYS 36 2HZ LYS 36 7.803 -3.968 -2.065 284 HA PRO 37 HA PRO 37 10.394 -11.330 -9.936 285 HB2 PRO 37 1HB PRO 37 10.576 -13.717 -8.570 286 HB3 PRO 37 2HB PRO 37 11.951 -12.626 -8.887 287 HG2 PRO 37 1HG PRO 37 10.269 -12.798 -6.373 288 HG3 PRO 37 2HG PRO 37 12.055 -12.792 -6.508 289 HD2 PRO 37 1HD PRO 37 10.681 -10.522 -5.954 290 HD3 PRO 37 2HD PRO 37 12.091 -10.489 -7.051 291 H TYR 38 H TYR 38 8.277 -11.867 -7.079 292 HA TYR 38 HA TYR 38 6.525 -13.619 -8.653 293 HB2 TYR 38 1HB TYR 38 6.396 -12.811 -5.737 294 HB3 TYR 38 2HB TYR 38 5.341 -13.968 -6.523 295 HD1 TYR 38 1HD TYR 38 6.468 -15.948 -7.812 296 HD2 TYR 38 2HD TYR 38 8.435 -13.573 -4.814 297 HE1 TYR 38 1HE TYR 38 8.148 -17.769 -7.468 298 HE2 TYR 38 2HE TYR 38 10.112 -15.381 -4.455 299 HH TYR 38 HH TYR 38 10.817 -17.474 -5.091 300 H LYS 39 H LYS 39 5.968 -12.073 -10.181 301 HA LYS 39 HA LYS 39 4.206 -9.811 -9.539 302 HB2 LYS 39 1HB LYS 39 5.171 -11.024 -12.146 303 HB3 LYS 39 2HB LYS 39 4.057 -9.650 -12.059 304 HG2 LYS 39 1HG LYS 39 5.674 -8.307 -10.852 305 HG3 LYS 39 2HG LYS 39 6.799 -9.670 -10.731 306 HD2 LYS 39 1HD LYS 39 7.025 -9.703 -13.193 307 HD3 LYS 39 2HD LYS 39 5.891 -8.339 -13.320 308 HE2 LYS 39 1HE LYS 39 7.427 -6.951 -11.930 309 HE3 LYS 39 2HE LYS 39 8.563 -8.302 -11.834 310 HZ1 LYS 39 3HZ LYS 39 9.168 -6.716 -13.591 311 HZ2 LYS 39 1HZ LYS 39 7.742 -6.946 -14.352 312 HZ3 LYS 39 2HZ LYS 39 8.821 -8.174 -14.251 313 H CYS 40 H CYS 40 2.087 -9.586 -9.900 314 HA CYS 40 HA CYS 40 0.405 -11.924 -9.798 315 HB2 CYS 40 1HB CYS 40 -0.065 -9.937 -8.549 316 HB3 CYS 40 2HB CYS 40 -0.175 -8.964 -10.031 317 HA PRO 41 HA PRO 41 -0.279 -12.173 -14.283 318 HB2 PRO 41 1HB PRO 41 -2.208 -14.095 -14.348 319 HB3 PRO 41 2HB PRO 41 -0.508 -14.456 -13.915 320 HG2 PRO 41 1HG PRO 41 -2.840 -13.966 -12.032 321 HG3 PRO 41 2HG PRO 41 -1.651 -15.306 -11.996 322 HD2 PRO 41 1HD PRO 41 -1.395 -13.046 -10.462 323 HD3 PRO 41 2HD PRO 41 0.025 -13.917 -11.114 324 H GLN 42 H GLN 42 -2.452 -10.923 -11.920 325 HA GLN 42 HA GLN 42 -4.478 -10.156 -13.994 326 HB2 GLN 42 1HB GLN 42 -4.796 -10.728 -11.034 327 HB3 GLN 42 2HB GLN 42 -6.052 -10.021 -12.054 328 HG2 GLN 42 1HG GLN 42 -5.994 -12.023 -13.523 329 HG3 GLN 42 2HG GLN 42 -4.768 -12.753 -12.483 330 HE21 GLN 42 1HE2 GLN 42 -8.184 -11.606 -12.529 331 HE22 GLN 42 2HE2 GLN 42 -8.675 -12.647 -11.200 332 H CYS 43 H CYS 43 -2.327 -8.724 -11.491 333 HA CYS 43 HA CYS 43 -3.139 -6.078 -12.531 334 HB2 CYS 43 1HB CYS 43 -3.613 -5.171 -10.362 335 HB3 CYS 43 2HB CYS 43 -4.644 -6.563 -10.633 336 H SER 44 H SER 44 -1.797 -4.384 -11.051 337 HA SER 44 HA SER 44 0.928 -4.696 -11.921 338 HB2 SER 44 1HB SER 44 -0.286 -2.556 -10.136 339 HB3 SER 44 2HB SER 44 1.246 -2.450 -11.025 340 HG SER 44 HG SER 44 -0.474 -1.424 -12.149 341 H TYR 45 H TYR 45 -0.417 -6.047 -9.196 342 HA TYR 45 HA TYR 45 1.407 -5.517 -7.097 343 HB2 TYR 45 1HB TYR 45 -0.739 -6.557 -6.754 344 HB3 TYR 45 2HB TYR 45 -0.332 -7.897 -7.809 345 HD1 TYR 45 1HD TYR 45 1.426 -9.610 -7.023 346 HD2 TYR 45 2HD TYR 45 -0.112 -6.515 -4.434 347 HE1 TYR 45 1HE TYR 45 2.254 -10.854 -5.040 348 HE2 TYR 45 2HE TYR 45 0.698 -7.782 -2.451 349 HH TYR 45 HH TYR 45 1.729 -9.684 -1.701 350 H ALA 46 H ALA 46 3.262 -6.393 -6.443 351 HA ALA 46 HA ALA 46 4.324 -8.847 -7.604 352 HB1 ALA 46 1HB ALA 46 6.483 -7.951 -8.221 353 HB2 ALA 46 2HB ALA 46 5.240 -7.001 -9.056 354 HB3 ALA 46 3HB ALA 46 6.037 -6.329 -7.623 355 H SER 47 H SER 47 5.758 -9.957 -6.249 356 HA SER 47 HA SER 47 6.459 -8.737 -3.615 357 HB2 SER 47 1HB SER 47 4.356 -10.140 -3.483 358 HB3 SER 47 2HB SER 47 5.355 -11.547 -3.895 359 HG SER 47 HG SER 47 5.445 -9.852 -1.624 360 H ALA 48 H ALA 48 8.058 -9.889 -2.409 361 HA ALA 48 HA ALA 48 10.149 -11.228 -4.033 362 HB1 ALA 48 1HB ALA 48 10.176 -10.201 -1.168 363 HB2 ALA 48 2HB ALA 48 11.562 -10.850 -2.071 364 HB3 ALA 48 3HB ALA 48 10.800 -9.337 -2.595 365 H ILE 49 H ILE 49 7.417 -12.170 -2.268 366 HA ILE 49 HA ILE 49 8.577 -14.857 -1.627 367 HB ILE 49 HB ILE 49 6.548 -13.310 0.019 368 HG12 ILE 49 1HG1 ILE 49 9.484 -13.910 0.593 369 HG13 ILE 49 2HG1 ILE 49 8.788 -12.322 0.258 370 HG21 ILE 49 1HG2 ILE 49 6.744 -15.171 1.629 371 HG22 ILE 49 2HG2 ILE 49 6.220 -15.789 0.083 372 HG23 ILE 49 3HG2 ILE 49 7.917 -15.988 0.573 373 HD11 ILE 49 3HD1 ILE 49 7.388 -12.529 2.331 374 HD12 ILE 49 1HD1 ILE 49 8.317 -13.997 2.739 375 HD13 ILE 49 2HD1 ILE 49 9.141 -12.441 2.598 376 H LYS 50 H LYS 50 7.568 -16.519 -2.536 377 HA LYS 50 HA LYS 50 5.420 -16.184 -4.387 378 HB2 LYS 50 1HB LYS 50 7.290 -17.916 -4.391 379 HB3 LYS 50 2HB LYS 50 6.382 -18.810 -3.172 380 HG2 LYS 50 1HG LYS 50 4.469 -19.009 -4.752 381 HG3 LYS 50 2HG LYS 50 5.356 -18.048 -5.950 382 HD2 LYS 50 1HD LYS 50 7.135 -19.788 -6.018 383 HD3 LYS 50 2HD LYS 50 6.232 -20.749 -4.827 384 HE2 LYS 50 1HE LYS 50 4.305 -20.869 -6.397 385 HE3 LYS 50 2HE LYS 50 5.208 -19.917 -7.581 386 HZ1 LYS 50 3HZ LYS 50 5.378 -22.296 -8.043 387 HZ2 LYS 50 1HZ LYS 50 6.019 -22.596 -6.574 388 HZ3 LYS 50 2HZ LYS 50 6.856 -21.716 -7.670 389 H ALA 51 H ALA 51 5.386 -17.465 -1.060 390 HA ALA 51 HA ALA 51 2.609 -18.171 -1.014 391 HB1 ALA 51 1HB ALA 51 4.286 -19.016 0.590 392 HB2 ALA 51 2HB ALA 51 4.486 -17.378 1.262 393 HB3 ALA 51 3HB ALA 51 2.936 -18.228 1.428 394 H ASN 52 H ASN 52 4.212 -15.014 -0.611 395 HA ASN 52 HA ASN 52 1.865 -13.683 0.480 396 HB2 ASN 52 1HB ASN 52 4.289 -12.968 0.723 397 HB3 ASN 52 2HB ASN 52 4.241 -12.455 -0.967 398 HD21 ASN 52 1HD2 ASN 52 4.943 -10.487 0.487 399 HD22 ASN 52 2HD2 ASN 52 3.620 -9.419 0.941 400 H LEU 53 H LEU 53 3.250 -14.060 -2.844 401 HA LEU 53 HA LEU 53 1.099 -12.792 -4.217 402 HB2 LEU 53 1HB LEU 53 3.194 -13.285 -5.328 403 HB3 LEU 53 2HB LEU 53 3.005 -15.012 -5.038 404 HG LEU 53 HG LEU 53 1.026 -15.067 -6.537 405 HD11 LEU 53 1HD1 LEU 53 0.517 -13.177 -7.994 406 HD12 LEU 53 2HD1 LEU 53 1.745 -12.175 -7.181 407 HD13 LEU 53 3HD1 LEU 53 0.282 -12.697 -6.314 408 HD21 LEU 53 3HD2 LEU 53 3.306 -15.524 -7.393 409 HD22 LEU 53 1HD2 LEU 53 3.444 -13.814 -7.863 410 HD23 LEU 53 2HD2 LEU 53 2.223 -14.846 -8.623 411 H ASN 54 H ASN 54 1.428 -16.194 -3.063 412 HA ASN 54 HA ASN 54 -1.004 -17.166 -4.146 413 HB2 ASN 54 1HB ASN 54 0.857 -18.499 -3.059 414 HB3 ASN 54 2HB ASN 54 0.239 -17.988 -1.487 415 HD21 ASN 54 1HD2 ASN 54 -0.208 -20.165 -4.144 416 HD22 ASN 54 2HD2 ASN 54 -1.623 -20.970 -3.485 417 H VAL 55 H VAL 55 -0.481 -15.516 -0.986 418 HA VAL 55 HA VAL 55 -3.277 -15.517 -0.243 419 HB VAL 55 HB VAL 55 -0.944 -13.832 0.691 420 HG11 VAL 55 1HG1 VAL 55 -3.760 -14.003 1.853 421 HG12 VAL 55 2HG1 VAL 55 -2.357 -13.282 2.674 422 HG13 VAL 55 3HG1 VAL 55 -2.973 -12.551 1.193 423 HG21 VAL 55 3HG2 VAL 55 -2.434 -16.161 1.983 424 HG22 VAL 55 1HG2 VAL 55 -0.839 -16.268 1.220 425 HG23 VAL 55 2HG2 VAL 55 -1.047 -15.285 2.671 426 H HIS 56 H HIS 56 -1.285 -13.179 -2.067 427 HA HIS 56 HA HIS 56 -3.308 -11.177 -2.333 428 HB2 HIS 56 1HB HIS 56 -1.007 -10.677 -2.825 429 HB3 HIS 56 2HB HIS 56 -0.940 -11.910 -4.085 430 HD1 HIS 56 1HD HIS 56 -2.828 -8.585 -3.449 431 HD2 HIS 56 2HD HIS 56 -1.678 -11.245 -6.494 432 HE1 HIS 56 1HE HIS 56 -3.658 -7.559 -5.605 433 H LEU 57 H LEU 57 -2.611 -14.005 -4.464 434 HA LEU 57 HA LEU 57 -4.568 -13.458 -6.455 435 HB2 LEU 57 1HB LEU 57 -3.342 -15.984 -5.370 436 HB3 LEU 57 2HB LEU 57 -4.475 -16.039 -6.709 437 HG LEU 57 HG LEU 57 -1.946 -14.339 -6.823 438 HD11 LEU 57 1HD1 LEU 57 -2.364 -17.214 -7.736 439 HD12 LEU 57 2HD1 LEU 57 -1.330 -16.677 -6.396 440 HD13 LEU 57 3HD1 LEU 57 -0.925 -16.213 -8.057 441 HD21 LEU 57 3HD2 LEU 57 -3.625 -13.767 -8.513 442 HD22 LEU 57 1HD2 LEU 57 -3.819 -15.483 -8.944 443 HD23 LEU 57 2HD2 LEU 57 -2.293 -14.648 -9.269 444 H ARG 58 H ARG 58 -4.960 -15.041 -3.304 445 HA ARG 58 HA ARG 58 -7.702 -15.862 -3.619 446 HB2 ARG 58 1HB ARG 58 -6.179 -15.060 -1.110 447 HB3 ARG 58 2HB ARG 58 -7.749 -15.852 -1.116 448 HG2 ARG 58 1HG ARG 58 -6.870 -17.868 -2.069 449 HG3 ARG 58 2HG ARG 58 -5.338 -17.105 -2.482 450 HD2 ARG 58 1HD ARG 58 -4.960 -16.711 0.004 451 HD3 ARG 58 2HD ARG 58 -6.361 -17.728 0.312 452 HE ARG 58 HE ARG 58 -3.778 -18.562 -0.996 453 HH11 ARG 58 2HH1 ARG 58 -6.717 -19.653 0.603 454 HH12 ARG 58 1HH1 ARG 58 -6.117 -21.283 0.734 455 HH21 ARG 58 2HH2 ARG 58 -3.103 -20.557 -0.784 456 HH22 ARG 58 1HH2 ARG 58 -4.097 -21.802 -0.043 457 H LYS 59 H LYS 59 -6.436 -12.633 -3.227 458 HA LYS 59 HA LYS 59 -8.973 -11.457 -2.331 459 HB2 LYS 59 1HB LYS 59 -6.575 -10.026 -3.543 460 HB3 LYS 59 2HB LYS 59 -7.905 -9.324 -2.626 461 HG2 LYS 59 1HG LYS 59 -7.189 -10.731 -0.641 462 HG3 LYS 59 2HG LYS 59 -5.751 -11.196 -1.574 463 HD2 LYS 59 1HD LYS 59 -5.082 -8.824 -1.755 464 HD3 LYS 59 2HD LYS 59 -6.525 -8.347 -0.829 465 HE2 LYS 59 1HE LYS 59 -5.742 -9.767 1.074 466 HE3 LYS 59 2HE LYS 59 -4.281 -10.168 0.164 467 HZ1 LYS 59 3HZ LYS 59 -3.708 -7.787 0.185 468 HZ2 LYS 59 1HZ LYS 59 -3.895 -8.331 1.712 469 HZ3 LYS 59 2HZ LYS 59 -5.064 -7.429 1.025 470 H HIS 60 H HIS 60 -7.640 -12.310 -5.443 471 HA HIS 60 HA HIS 60 -9.254 -10.472 -7.001 472 HB2 HIS 60 1HB HIS 60 -7.469 -12.829 -7.649 473 HB3 HIS 60 2HB HIS 60 -8.509 -12.119 -8.861 474 HD1 HIS 60 1HD HIS 60 -8.176 -9.285 -9.088 475 HD2 HIS 60 2HD HIS 60 -5.087 -11.686 -7.535 476 HE1 HIS 60 1HE HIS 60 -6.067 -7.901 -9.301 477 H THR 61 H THR 61 -10.307 -13.098 -5.292 478 HA THR 61 HA THR 61 -12.298 -14.320 -6.894 479 HB THR 61 HB THR 61 -11.601 -15.056 -4.670 480 HG1 THR 61 1HG THR 61 -13.636 -15.559 -3.898 481 HG21 THR 61 3HG2 THR 61 -11.420 -12.790 -3.599 482 HG22 THR 61 1HG2 THR 61 -12.307 -13.974 -2.632 483 HG23 THR 61 2HG2 THR 61 -13.191 -12.717 -3.532 484 H GLY 62 H GLY 62 -12.207 -11.049 -5.613 485 HA2 GLY 62 1HA GLY 62 -14.644 -10.384 -7.153 486 HA3 GLY 62 2HA GLY 62 -14.605 -9.901 -5.456 487 H GLU 63 H GLU 63 -14.896 -7.979 -7.353 488 HA GLU 63 HA GLU 63 -12.506 -6.316 -7.007 489 HB2 GLU 63 1HB GLU 63 -12.186 -5.787 -9.327 490 HB3 GLU 63 2HB GLU 63 -12.045 -7.530 -9.124 491 HG2 GLU 63 1HG GLU 63 -14.478 -7.710 -9.903 492 HG3 GLU 63 2HG GLU 63 -14.392 -5.996 -10.316 493 H LYS 64 H LYS 64 -12.814 -4.084 -7.572 494 HA LYS 64 HA LYS 64 -15.642 -3.190 -7.733 495 HB2 LYS 64 1HB LYS 64 -13.583 -2.094 -5.771 496 HB3 LYS 64 2HB LYS 64 -15.163 -1.388 -6.106 497 HG2 LYS 64 1HG LYS 64 -16.195 -3.613 -5.355 498 HG3 LYS 64 2HG LYS 64 -14.579 -4.070 -4.800 499 HD2 LYS 64 1HD LYS 64 -15.711 -3.213 -2.888 500 HD3 LYS 64 2HD LYS 64 -14.580 -1.936 -3.386 501 HE2 LYS 64 1HE LYS 64 -16.428 -0.781 -4.574 502 HE3 LYS 64 2HE LYS 64 -17.557 -2.044 -4.077 503 HZ1 LYS 64 3HZ LYS 64 -17.553 -0.006 -2.663 504 HZ2 LYS 64 1HZ LYS 64 -16.047 -0.350 -2.158 505 HZ3 LYS 64 2HZ LYS 64 -17.271 -1.375 -1.795 506 H PHE 65 H PHE 65 -15.989 -1.134 -8.488 507 HA PHE 65 HA PHE 65 -13.794 0.288 -9.932 508 HB2 PHE 65 1HB PHE 65 -16.699 0.007 -10.797 509 HB3 PHE 65 2HB PHE 65 -15.406 0.827 -11.663 510 HD1 PHE 65 2HD PHE 65 -13.660 -0.448 -12.871 511 HD2 PHE 65 1HD PHE 65 -16.853 -2.445 -10.776 512 HE1 PHE 65 2HE PHE 65 -13.119 -2.563 -14.056 513 HE2 PHE 65 1HE PHE 65 -16.307 -4.564 -11.959 514 HZ PHE 65 HZ PHE 65 -14.442 -4.621 -13.604 515 H ALA 66 H ALA 66 -14.098 2.645 -10.022 516 HA ALA 66 HA ALA 66 -15.907 3.743 -7.911 517 HB1 ALA 66 1HB ALA 66 -14.053 5.079 -7.057 518 HB2 ALA 66 2HB ALA 66 -13.651 3.353 -6.971 519 HB3 ALA 66 3HB ALA 66 -12.950 4.365 -8.253 520 H CYS 67 H CYS 67 -16.739 5.735 -8.206 521 HA CYS 67 HA CYS 67 -16.961 6.781 -10.861 522 HB2 CYS 67 1HB CYS 67 -18.707 6.770 -9.125 523 HB3 CYS 67 2HB CYS 67 -17.776 7.930 -8.166 524 H ASP 68 H ASP 68 -16.264 8.663 -11.745 525 HA ASP 68 HA ASP 68 -13.685 9.751 -10.767 526 HB2 ASP 68 1HB ASP 68 -14.020 8.945 -13.130 527 HB3 ASP 68 2HB ASP 68 -15.147 10.278 -13.377 528 H TYR 69 H TYR 69 -16.958 10.517 -10.477 529 HA TYR 69 HA TYR 69 -16.490 13.475 -10.277 530 HB2 TYR 69 1HB TYR 69 -18.977 11.938 -11.020 531 HB3 TYR 69 2HB TYR 69 -18.834 13.688 -10.963 532 HD1 TYR 69 1HD TYR 69 -17.412 14.884 -12.656 533 HD2 TYR 69 2HD TYR 69 -18.222 10.653 -12.905 534 HE1 TYR 69 1HE TYR 69 -16.723 14.889 -15.052 535 HE2 TYR 69 2HE TYR 69 -17.530 10.659 -15.296 536 HH TYR 69 HH TYR 69 -16.758 11.914 -17.055 537 H CYS 70 H CYS 70 -17.584 10.693 -8.463 538 HA CYS 70 HA CYS 70 -17.973 12.375 -6.102 539 HB2 CYS 70 1HB CYS 70 -20.134 11.575 -5.503 540 HB3 CYS 70 2HB CYS 70 -20.221 12.284 -7.103 541 H SER 71 H SER 71 -18.755 10.644 -4.248 542 HA SER 71 HA SER 71 -16.449 8.908 -3.877 543 HB2 SER 71 1HB SER 71 -18.871 9.312 -2.090 544 HB3 SER 71 2HB SER 71 -17.318 8.602 -1.621 545 HG SER 71 HG SER 71 -16.327 10.616 -2.007 546 H PHE 72 H PHE 72 -19.215 8.227 -5.580 547 HA PHE 72 HA PHE 72 -20.147 5.779 -4.489 548 HB2 PHE 72 1HB PHE 72 -21.414 7.105 -6.072 549 HB3 PHE 72 2HB PHE 72 -20.179 6.894 -7.300 550 HD1 PHE 72 1HD PHE 72 -22.557 4.859 -5.192 551 HD2 PHE 72 2HD PHE 72 -20.436 5.241 -8.926 552 HE1 PHE 72 1HE PHE 72 -23.731 2.851 -6.073 553 HE2 PHE 72 2HE PHE 72 -21.635 3.259 -9.812 554 HZ PHE 72 HZ PHE 72 -23.253 2.039 -8.381 555 H THR 73 H THR 73 -19.766 3.653 -4.872 556 HA THR 73 HA THR 73 -17.674 2.831 -6.791 557 HB THR 73 HB THR 73 -16.901 1.034 -5.309 558 HG1 THR 73 1HG THR 73 -18.246 2.487 -3.280 559 HG21 THR 73 3HG2 THR 73 -15.560 3.088 -5.463 560 HG22 THR 73 1HG2 THR 73 -15.423 2.294 -3.885 561 HG23 THR 73 2HG2 THR 73 -16.423 3.761 -4.064 562 H CYS 74 H CYS 74 -17.885 0.736 -7.613 563 HA CYS 74 HA CYS 74 -20.593 -0.505 -7.398 564 HB2 CYS 74 1HB CYS 74 -20.412 1.322 -9.173 565 HB3 CYS 74 2HB CYS 74 -19.217 0.307 -9.991 566 HG CYS 74 HG CYS 74 -21.164 -0.270 -11.357 567 H LEU 75 H LEU 75 -20.742 -2.618 -8.369 568 HA LEU 75 HA LEU 75 -18.228 -4.204 -8.310 569 HB2 LEU 75 1HB LEU 75 -21.125 -5.108 -8.483 570 HB3 LEU 75 2HB LEU 75 -19.717 -6.142 -8.254 571 HG LEU 75 HG LEU 75 -20.784 -4.090 -6.270 572 HD11 LEU 75 1HD1 LEU 75 -20.652 -7.130 -6.169 573 HD12 LEU 75 2HD1 LEU 75 -22.113 -6.160 -6.462 574 HD13 LEU 75 3HD1 LEU 75 -21.286 -6.057 -4.899 575 HD21 LEU 75 3HD2 LEU 75 -18.382 -5.953 -6.040 576 HD22 LEU 75 1HD2 LEU 75 -19.100 -5.034 -4.696 577 HD23 LEU 75 2HD2 LEU 75 -18.352 -4.176 -6.048 578 H SER 76 H SER 76 -19.939 -2.565 -10.675 579 HA SER 76 HA SER 76 -18.647 -4.145 -12.829 580 HB2 SER 76 1HB SER 76 -20.865 -5.075 -12.802 581 HB3 SER 76 2HB SER 76 -21.605 -3.465 -12.725 582 HG SER 76 HG SER 76 -21.481 -4.523 -14.870 583 H LYS 77 H LYS 77 -17.701 -2.891 -14.298 584 HA LYS 77 HA LYS 77 -17.802 -0.018 -14.255 585 HB2 LYS 77 1HB LYS 77 -16.415 -0.103 -16.235 586 HB3 LYS 77 2HB LYS 77 -15.834 -1.211 -15.000 587 HG2 LYS 77 1HG LYS 77 -16.864 -3.123 -16.236 588 HG3 LYS 77 2HG LYS 77 -17.414 -1.994 -17.491 589 HD2 LYS 77 1HD LYS 77 -15.049 -1.319 -17.897 590 HD3 LYS 77 2HD LYS 77 -14.504 -2.507 -16.710 591 HE2 LYS 77 1HE LYS 77 -16.094 -3.154 -19.240 592 HE3 LYS 77 2HE LYS 77 -14.334 -3.223 -19.126 593 HZ1 LYS 77 3HZ LYS 77 -16.199 -4.900 -17.534 594 HZ2 LYS 77 1HZ LYS 77 -14.566 -4.928 -17.401 595 HZ3 LYS 77 2HZ LYS 77 -15.285 -5.407 -18.783 596 H GLY 78 H GLY 78 -19.800 -2.366 -15.907 597 HA2 GLY 78 1HA GLY 78 -20.951 -0.585 -17.896 598 HA3 GLY 78 2HA GLY 78 -21.614 -2.126 -17.328 599 H HIS 79 H HIS 79 -22.045 -1.711 -14.640 600 HA HIS 79 HA HIS 79 -24.330 0.073 -14.604 601 HB2 HIS 79 1HB HIS 79 -24.270 -2.028 -13.356 602 HB3 HIS 79 2HB HIS 79 -22.950 -1.425 -12.359 603 HD1 HIS 79 1HD HIS 79 -23.751 -0.240 -10.163 604 HD2 HIS 79 2HD HIS 79 -26.648 -0.401 -13.209 605 HE1 HIS 79 1HE HIS 79 -25.889 0.744 -9.169 606 H LEU 80 H LEU 80 -20.940 0.426 -13.514 607 HA LEU 80 HA LEU 80 -21.298 2.975 -12.257 608 HB2 LEU 80 1HB LEU 80 -19.282 1.576 -11.990 609 HB3 LEU 80 2HB LEU 80 -18.894 1.804 -13.698 610 HG LEU 80 HG LEU 80 -18.561 4.221 -13.341 611 HD11 LEU 80 1HD1 LEU 80 -18.432 5.110 -11.029 612 HD12 LEU 80 2HD1 LEU 80 -19.096 3.586 -10.403 613 HD13 LEU 80 3HD1 LEU 80 -20.075 4.648 -11.449 614 HD21 LEU 80 3HD2 LEU 80 -17.023 2.569 -11.311 615 HD22 LEU 80 1HD2 LEU 80 -16.498 4.066 -12.116 616 HD23 LEU 80 2HD2 LEU 80 -16.694 2.588 -13.063 617 H LYS 81 H LYS 81 -20.680 2.119 -15.719 618 HA LYS 81 HA LYS 81 -20.660 4.826 -16.668 619 HB2 LYS 81 1HB LYS 81 -19.912 2.858 -17.987 620 HB3 LYS 81 2HB LYS 81 -21.595 2.326 -18.141 621 HG2 LYS 81 1HG LYS 81 -22.167 4.414 -19.334 622 HG3 LYS 81 2HG LYS 81 -20.506 5.005 -19.120 623 HD2 LYS 81 1HD LYS 81 -19.659 3.109 -20.477 624 HD3 LYS 81 2HD LYS 81 -21.322 2.506 -20.675 625 HE2 LYS 81 1HE LYS 81 -21.959 4.638 -21.784 626 HE3 LYS 81 2HE LYS 81 -20.310 5.241 -21.583 627 HZ1 LYS 81 3HZ LYS 81 -20.648 4.313 -23.802 628 HZ2 LYS 81 1HZ LYS 81 -21.065 2.859 -23.194 629 HZ3 LYS 81 2HZ LYS 81 -19.541 3.417 -23.009 630 H VAL 82 H VAL 82 -23.424 2.572 -16.186 631 HA VAL 82 HA VAL 82 -25.459 4.414 -16.998 632 HB VAL 82 HB VAL 82 -25.581 2.124 -15.001 633 HG11 VAL 82 1HG1 VAL 82 -27.467 3.605 -14.514 634 HG12 VAL 82 2HG1 VAL 82 -27.853 3.719 -16.249 635 HG13 VAL 82 3HG1 VAL 82 -28.044 2.180 -15.378 636 HG21 VAL 82 3HG2 VAL 82 -26.513 2.360 -17.898 637 HG22 VAL 82 1HG2 VAL 82 -25.062 1.493 -17.367 638 HG23 VAL 82 2HG2 VAL 82 -26.656 0.925 -16.859 639 H HIS 83 H HIS 83 -23.955 4.016 -13.735 640 HA HIS 83 HA HIS 83 -25.419 6.093 -12.441 641 HB2 HIS 83 1HB HIS 83 -24.112 4.635 -11.108 642 HB3 HIS 83 2HB HIS 83 -22.651 4.935 -12.026 643 HD1 HIS 83 1HD HIS 83 -24.727 6.534 -9.248 644 HD2 HIS 83 2HD HIS 83 -21.181 7.074 -11.431 645 HE1 HIS 83 1HE HIS 83 -23.435 8.345 -8.029 646 H ILE 84 H ILE 84 -22.302 6.361 -14.277 647 HA ILE 84 HA ILE 84 -22.079 9.191 -13.915 648 HB ILE 84 HB ILE 84 -20.898 7.342 -16.009 649 HG12 ILE 84 1HG1 ILE 84 -19.615 8.679 -13.574 650 HG13 ILE 84 2HG1 ILE 84 -20.264 7.049 -13.546 651 HG21 ILE 84 1HG2 ILE 84 -20.205 10.265 -15.434 652 HG22 ILE 84 2HG2 ILE 84 -19.294 9.183 -16.511 653 HG23 ILE 84 3HG2 ILE 84 -20.934 9.637 -16.930 654 HD11 ILE 84 3HD1 ILE 84 -18.671 6.371 -15.339 655 HD12 ILE 84 1HD1 ILE 84 -17.910 7.979 -15.219 656 HD13 ILE 84 2HD1 ILE 84 -17.901 6.890 -13.827 657 H GLU 85 H GLU 85 -23.489 7.369 -16.660 658 HA GLU 85 HA GLU 85 -24.164 9.689 -18.193 659 HB2 GLU 85 1HB GLU 85 -25.252 6.846 -18.194 660 HB3 GLU 85 2HB GLU 85 -25.667 8.028 -19.416 661 HG2 GLU 85 1HG GLU 85 -22.830 7.045 -18.868 662 HG3 GLU 85 2HG GLU 85 -23.899 6.398 -20.104 663 H ARG 86 H ARG 86 -25.879 8.255 -15.488 664 HA ARG 86 HA ARG 86 -28.333 9.861 -16.091 665 HB2 ARG 86 1HB ARG 86 -27.827 7.611 -14.116 666 HB3 ARG 86 2HB ARG 86 -29.333 8.527 -14.233 667 HG2 ARG 86 1HG ARG 86 -29.615 7.831 -16.592 668 HG3 ARG 86 2HG ARG 86 -28.128 6.866 -16.495 669 HD2 ARG 86 1HD ARG 86 -29.114 5.527 -14.669 670 HD3 ARG 86 2HD ARG 86 -30.602 6.496 -14.758 671 HE ARG 86 HE ARG 86 -30.135 5.487 -17.348 672 HH11 ARG 86 2HH1 ARG 86 -30.930 4.122 -14.221 673 HH12 ARG 86 1HH1 ARG 86 -31.720 2.737 -14.922 674 HH21 ARG 86 1HH2 ARG 86 -31.157 3.693 -18.179 675 HH22 ARG 86 2HH2 ARG 86 -31.843 2.509 -17.106 676 H VAL 87 H VAL 87 -25.799 9.652 -13.619 677 HA VAL 87 HA VAL 87 -27.220 11.652 -11.944 678 HB VAL 87 HB VAL 87 -24.729 10.028 -11.329 679 HG11 VAL 87 1HG1 VAL 87 -25.229 10.619 -8.973 680 HG12 VAL 87 2HG1 VAL 87 -24.815 12.035 -9.937 681 HG13 VAL 87 3HG1 VAL 87 -26.516 11.711 -9.529 682 HG21 VAL 87 3HG2 VAL 87 -26.707 8.556 -11.580 683 HG22 VAL 87 1HG2 VAL 87 -26.257 8.694 -9.881 684 HG23 VAL 87 2HG2 VAL 87 -27.643 9.614 -10.503 685 H HIS 88 H HIS 88 -24.127 11.342 -13.710 686 HA HIS 88 HA HIS 88 -23.445 14.149 -12.951 687 HB2 HIS 88 1HB HIS 88 -21.699 11.950 -14.090 688 HB3 HIS 88 2HB HIS 88 -21.170 13.560 -13.597 689 HD1 HIS 88 1HD HIS 88 -21.965 14.055 -10.799 690 HD2 HIS 88 2HD HIS 88 -21.338 10.163 -12.240 691 HE1 HIS 88 1HE HIS 88 -21.579 12.610 -8.746 692 H LYS 89 H LYS 89 -24.252 12.168 -15.717 693 HA LYS 89 HA LYS 89 -24.273 14.599 -17.466 694 HB2 LYS 89 1HB LYS 89 -24.394 11.734 -18.371 695 HB3 LYS 89 2HB LYS 89 -24.279 13.169 -19.378 696 HG2 LYS 89 1HG LYS 89 -22.012 13.653 -18.411 697 HG3 LYS 89 2HG LYS 89 -22.118 12.139 -17.483 698 HD2 LYS 89 1HD LYS 89 -22.504 10.919 -19.640 699 HD3 LYS 89 2HD LYS 89 -22.170 12.420 -20.518 700 HE2 LYS 89 1HE LYS 89 -19.893 12.489 -19.580 701 HE3 LYS 89 2HE LYS 89 -20.245 11.079 -18.569 702 HZ1 LYS 89 3HZ LYS 89 -20.167 11.088 -21.535 703 HZ2 LYS 89 1HZ LYS 89 -20.643 9.806 -20.638 704 HZ3 LYS 89 2HZ LYS 89 -19.093 10.351 -20.547 705 H LYS 90 H LYS 90 -26.118 14.642 -19.000 706 HA LYS 90 HA LYS 90 -28.352 15.011 -19.333 707 HB2 LYS 90 1HB LYS 90 -28.583 12.121 -18.421 708 HB3 LYS 90 2HB LYS 90 -29.737 13.010 -19.416 709 HG2 LYS 90 1HG LYS 90 -28.016 13.261 -21.200 710 HG3 LYS 90 2HG LYS 90 -26.863 12.358 -20.210 711 HD2 LYS 90 1HD LYS 90 -27.759 10.865 -21.845 712 HD3 LYS 90 2HD LYS 90 -28.365 10.377 -20.256 713 HE2 LYS 90 1HE LYS 90 -30.528 11.500 -20.730 714 HE3 LYS 90 2HE LYS 90 -29.908 12.059 -22.289 715 HZ1 LYS 90 3HZ LYS 90 -31.244 10.048 -22.536 716 HZ2 LYS 90 1HZ LYS 90 -30.275 9.209 -21.528 717 HZ3 LYS 90 2HZ LYS 90 -29.705 9.728 -22.970 718 H ILE 91 H ILE 91 -27.485 15.842 -16.725 719 HA ILE 91 HA ILE 91 -29.851 15.412 -14.998 720 HB ILE 91 HB ILE 91 -27.699 14.568 -14.180 721 HG12 ILE 91 1HG1 ILE 91 -27.640 15.608 -11.965 722 HG13 ILE 91 2HG1 ILE 91 -28.685 16.914 -12.509 723 HG21 ILE 91 1HG2 ILE 91 -25.881 16.052 -13.494 724 HG22 ILE 91 2HG2 ILE 91 -26.146 16.183 -15.231 725 HG23 ILE 91 3HG2 ILE 91 -26.738 17.461 -14.147 726 HD11 ILE 91 3HD1 ILE 91 -30.528 15.293 -12.881 727 HD12 ILE 91 1HD1 ILE 91 -29.435 13.949 -12.467 728 HD13 ILE 91 2HD1 ILE 91 -29.893 15.142 -11.236 729 H LYS 92 H LYS 92 -30.834 17.112 -13.938 730 HA LYS 92 HA LYS 92 -30.810 19.689 -15.372 731 HB2 LYS 92 1HB LYS 92 -32.907 18.420 -14.936 732 HB3 LYS 92 2HB LYS 92 -32.680 18.674 -13.198 733 HG2 LYS 92 1HG LYS 92 -32.752 21.144 -13.571 734 HG3 LYS 92 2HG LYS 92 -33.009 20.874 -15.298 735 HD2 LYS 92 1HD LYS 92 -34.874 19.963 -13.058 736 HD3 LYS 92 2HD LYS 92 -35.090 21.412 -14.052 737 HE2 LYS 92 1HE LYS 92 -35.215 19.988 -16.095 738 HE3 LYS 92 2HE LYS 92 -35.061 18.542 -15.088 739 HZ1 LYS 92 3HZ LYS 92 -37.385 19.026 -15.583 740 HZ2 LYS 92 1HZ LYS 92 -37.282 20.508 -14.915 741 HZ3 LYS 92 2HZ LYS 92 -37.138 19.177 -13.978 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -4.533 26.959 4.957 2 H2 GLY 1 2H GLY 1 -3.040 27.008 4.278 3 H3 GLY 1 3H GLY 1 -4.363 27.320 3.367 4 HA2 GLY 1 1HA GLY 1 -3.372 28.980 5.595 5 HA3 GLY 1 2HA GLY 1 -3.232 29.375 3.871 6 H SER 2 H SER 2 -4.606 30.810 6.113 7 HA SER 2 HA SER 2 -7.370 30.430 6.161 8 HB2 SER 2 1HB SER 2 -5.877 33.042 6.593 9 HB3 SER 2 2HB SER 2 -7.478 32.616 7.224 10 HG SER 2 HG SER 2 -5.820 32.282 8.781 11 H SER 3 H SER 3 -5.561 32.232 3.735 12 HA SER 3 HA SER 3 -7.886 33.559 2.573 13 HB2 SER 3 1HB SER 3 -5.104 33.145 1.422 14 HB3 SER 3 2HB SER 3 -6.330 34.292 0.850 15 HG SER 3 HG SER 3 -4.789 35.295 2.225 16 H GLY 4 H GLY 4 -7.116 30.343 2.555 17 HA2 GLY 4 1HA GLY 4 -8.081 28.612 1.296 18 HA3 GLY 4 2HA GLY 4 -8.453 29.717 -0.024 19 H SER 5 H SER 5 -6.904 27.080 0.262 20 HA SER 5 HA SER 5 -4.686 27.699 -1.563 21 HB2 SER 5 1HB SER 5 -3.013 26.523 -0.116 22 HB3 SER 5 2HB SER 5 -3.558 28.077 0.515 23 HG SER 5 HG SER 5 -4.386 25.484 1.370 24 H SER 6 H SER 6 -3.647 25.779 -2.439 25 HA SER 6 HA SER 6 -5.490 23.591 -2.976 26 HB2 SER 6 1HB SER 6 -3.609 22.774 -4.406 27 HB3 SER 6 2HB SER 6 -4.160 24.414 -4.774 28 HG SER 6 HG SER 6 -1.865 24.260 -4.696 29 H GLY 7 H GLY 7 -4.826 21.311 -2.835 30 HA2 GLY 7 1HA GLY 7 -4.109 20.520 -0.156 31 HA3 GLY 7 2HA GLY 7 -4.391 19.456 -1.528 32 H LYS 8 H LYS 8 -2.490 18.815 0.303 33 HA LYS 8 HA LYS 8 0.163 19.727 -0.347 34 HB2 LYS 8 1HB LYS 8 0.963 18.071 1.174 35 HB3 LYS 8 2HB LYS 8 -0.456 18.853 1.866 36 HG2 LYS 8 1HG LYS 8 -1.851 16.884 1.153 37 HG3 LYS 8 2HG LYS 8 -0.388 16.092 0.555 38 HD2 LYS 8 1HD LYS 8 -0.887 16.938 3.443 39 HD3 LYS 8 2HD LYS 8 -1.093 15.303 2.802 40 HE2 LYS 8 1HE LYS 8 1.321 15.232 2.191 41 HE3 LYS 8 2HE LYS 8 1.535 16.857 2.855 42 HZ1 LYS 8 3HZ LYS 8 2.158 15.159 4.471 43 HZ2 LYS 8 1HZ LYS 8 0.670 14.489 4.431 44 HZ3 LYS 8 2HZ LYS 8 0.877 15.995 5.032 45 H ILE 9 H ILE 9 1.936 18.440 -1.059 46 HA ILE 9 HA ILE 9 1.313 16.660 -3.385 47 HB ILE 9 HB ILE 9 3.192 19.052 -3.262 48 HG12 ILE 9 1HG1 ILE 9 0.703 18.504 -4.951 49 HG13 ILE 9 2HG1 ILE 9 0.799 19.624 -3.593 50 HG21 ILE 9 1HG2 ILE 9 4.280 17.263 -4.539 51 HG22 ILE 9 2HG2 ILE 9 2.806 17.039 -5.518 52 HG23 ILE 9 3HG2 ILE 9 3.764 18.536 -5.614 53 HD11 ILE 9 3HD1 ILE 9 2.164 19.948 -6.279 54 HD12 ILE 9 1HD1 ILE 9 0.884 20.933 -5.563 55 HD13 ILE 9 2HD1 ILE 9 2.511 20.963 -4.853 56 H PHE 10 H PHE 10 2.852 15.087 -3.885 57 HA PHE 10 HA PHE 10 4.796 14.428 -1.704 58 HB2 PHE 10 1HB PHE 10 3.053 12.584 -3.382 59 HB3 PHE 10 2HB PHE 10 4.224 12.077 -2.178 60 HD1 PHE 10 1HD PHE 10 0.945 13.757 -2.676 61 HD2 PHE 10 2HD PHE 10 3.748 12.193 0.203 62 HE1 PHE 10 1HE PHE 10 -0.782 13.935 -0.902 63 HE2 PHE 10 2HE PHE 10 2.016 12.359 1.976 64 HZ PHE 10 HZ PHE 10 -0.254 13.218 1.425 65 H THR 11 H THR 11 6.863 13.769 -2.298 66 HA THR 11 HA THR 11 7.522 13.731 -5.210 67 HB THR 11 HB THR 11 9.037 15.237 -3.055 68 HG1 THR 11 1HG THR 11 8.178 17.069 -4.005 69 HG21 THR 11 3HG2 THR 11 10.142 16.328 -4.991 70 HG22 THR 11 1HG2 THR 11 9.254 15.254 -6.096 71 HG23 THR 11 2HG2 THR 11 10.454 14.588 -4.961 72 H CYS 12 H CYS 12 9.016 12.304 -5.865 73 HA CYS 12 HA CYS 12 9.971 10.209 -4.109 74 HB2 CYS 12 1HB CYS 12 9.265 9.803 -6.385 75 HB3 CYS 12 2HB CYS 12 10.510 10.907 -7.012 76 H GLU 13 H GLU 13 11.875 9.964 -3.136 77 HA GLU 13 HA GLU 13 13.829 12.172 -3.166 78 HB2 GLU 13 1HB GLU 13 14.809 11.142 -1.249 79 HB3 GLU 13 2HB GLU 13 13.063 11.222 -1.036 80 HG2 GLU 13 1HG GLU 13 12.898 8.805 -1.686 81 HG3 GLU 13 2HG GLU 13 14.658 8.745 -1.832 82 H TYR 14 H TYR 14 13.451 9.354 -4.983 83 HA TYR 14 HA TYR 14 16.388 8.913 -5.331 84 HB2 TYR 14 1HB TYR 14 14.007 7.222 -6.102 85 HB3 TYR 14 2HB TYR 14 15.684 6.795 -6.380 86 HD1 TYR 14 2HD TYR 14 17.224 6.393 -4.407 87 HD2 TYR 14 1HD TYR 14 12.950 6.802 -3.990 88 HE1 TYR 14 2HE TYR 14 17.329 5.264 -2.184 89 HE2 TYR 14 1HE TYR 14 13.058 5.670 -1.773 90 HH TYR 14 HH TYR 14 14.400 4.679 -0.201 91 H CYS 15 H CYS 15 13.494 9.851 -7.179 92 HA CYS 15 HA CYS 15 15.273 10.570 -9.446 93 HB2 CYS 15 1HB CYS 15 13.824 9.650 -11.081 94 HB3 CYS 15 2HB CYS 15 14.328 8.393 -9.957 95 H ASN 16 H ASN 16 13.396 11.934 -7.256 96 HA ASN 16 HA ASN 16 12.361 13.899 -6.998 97 HB2 ASN 16 1HB ASN 16 13.943 14.720 -9.448 98 HB3 ASN 16 2HB ASN 16 13.252 15.800 -8.243 99 HD21 ASN 16 1HD2 ASN 16 14.046 15.519 -5.936 100 HD22 ASN 16 2HD2 ASN 16 15.725 15.039 -5.750 101 H LYS 17 H LYS 17 11.008 11.956 -9.015 102 HA LYS 17 HA LYS 17 9.150 13.579 -10.516 103 HB2 LYS 17 1HB LYS 17 9.064 10.743 -9.433 104 HB3 LYS 17 2HB LYS 17 7.730 11.447 -10.372 105 HG2 LYS 17 1HG LYS 17 9.204 11.795 -12.298 106 HG3 LYS 17 2HG LYS 17 10.589 11.213 -11.353 107 HD2 LYS 17 1HD LYS 17 9.298 9.035 -11.001 108 HD3 LYS 17 2HD LYS 17 8.085 9.636 -12.125 109 HE2 LYS 17 1HE LYS 17 9.623 8.064 -13.164 110 HE3 LYS 17 2HE LYS 17 9.699 9.647 -13.946 111 HZ1 LYS 17 3HZ LYS 17 11.924 8.566 -13.439 112 HZ2 LYS 17 1HZ LYS 17 11.640 8.845 -11.836 113 HZ3 LYS 17 2HZ LYS 17 11.767 10.091 -12.872 114 H VAL 18 H VAL 18 7.018 13.995 -10.116 115 HA VAL 18 HA VAL 18 6.305 14.467 -7.244 116 HB VAL 18 HB VAL 18 5.687 16.212 -9.654 117 HG11 VAL 18 1HG1 VAL 18 4.907 17.838 -7.925 118 HG12 VAL 18 2HG1 VAL 18 3.906 16.387 -7.962 119 HG13 VAL 18 3HG1 VAL 18 5.133 16.585 -6.686 120 HG21 VAL 18 3HG2 VAL 18 7.589 16.643 -7.305 121 HG22 VAL 18 1HG2 VAL 18 8.067 16.390 -8.999 122 HG23 VAL 18 2HG2 VAL 18 7.188 17.851 -8.545 123 H PHE 19 H PHE 19 4.350 13.946 -6.524 124 HA PHE 19 HA PHE 19 2.339 12.695 -8.335 125 HB2 PHE 19 1HB PHE 19 3.425 11.549 -5.730 126 HB3 PHE 19 2HB PHE 19 2.156 10.850 -6.723 127 HD1 PHE 19 2HD PHE 19 2.682 9.864 -8.967 128 HD2 PHE 19 1HD PHE 19 5.770 11.305 -6.331 129 HE1 PHE 19 2HE PHE 19 4.401 8.729 -10.360 130 HE2 PHE 19 1HE PHE 19 7.482 10.160 -7.714 131 HZ PHE 19 HZ PHE 19 6.812 8.908 -9.765 132 H LYS 20 H LYS 20 0.215 12.717 -7.636 133 HA LYS 20 HA LYS 20 -0.511 15.040 -6.066 134 HB2 LYS 20 1HB LYS 20 -1.596 14.262 -8.189 135 HB3 LYS 20 2HB LYS 20 -2.297 12.903 -7.305 136 HG2 LYS 20 1HG LYS 20 -3.575 14.441 -5.883 137 HG3 LYS 20 2HG LYS 20 -2.754 15.841 -6.603 138 HD2 LYS 20 1HD LYS 20 -3.756 15.324 -8.797 139 HD3 LYS 20 2HD LYS 20 -4.546 13.886 -8.116 140 HE2 LYS 20 1HE LYS 20 -5.789 15.326 -6.517 141 HE3 LYS 20 2HE LYS 20 -4.995 16.759 -7.182 142 HZ1 LYS 20 3HZ LYS 20 -6.061 16.282 -9.320 143 HZ2 LYS 20 1HZ LYS 20 -7.194 16.434 -8.160 144 HZ3 LYS 20 2HZ LYS 20 -6.794 14.952 -8.714 145 H PHE 21 H PHE 21 -0.432 11.614 -5.315 146 HA PHE 21 HA PHE 21 -1.578 12.162 -2.610 147 HB2 PHE 21 1HB PHE 21 -2.203 9.744 -4.331 148 HB3 PHE 21 2HB PHE 21 -2.848 10.103 -2.741 149 HD1 PHE 21 2HD PHE 21 -4.278 12.270 -2.470 150 HD2 PHE 21 1HD PHE 21 -3.382 10.435 -6.268 151 HE1 PHE 21 2HE PHE 21 -6.247 13.397 -3.481 152 HE2 PHE 21 1HE PHE 21 -5.362 11.544 -7.271 153 HZ PHE 21 HZ PHE 21 -6.801 13.025 -5.879 154 H LYS 22 H LYS 22 -1.037 10.718 -0.959 155 HA LYS 22 HA LYS 22 1.651 9.857 -0.779 156 HB2 LYS 22 1HB LYS 22 0.047 10.451 1.080 157 HB3 LYS 22 2HB LYS 22 -0.741 8.892 0.860 158 HG2 LYS 22 1HG LYS 22 1.315 7.715 1.495 159 HG3 LYS 22 2HG LYS 22 2.216 9.246 1.535 160 HD2 LYS 22 1HD LYS 22 0.757 10.080 3.345 161 HD3 LYS 22 2HD LYS 22 -0.159 8.571 3.345 162 HE2 LYS 22 1HE LYS 22 2.844 8.741 3.877 163 HE3 LYS 22 2HE LYS 22 1.630 8.873 5.150 164 HZ1 LYS 22 3HZ LYS 22 0.836 6.654 4.580 165 HZ2 LYS 22 1HZ LYS 22 2.420 6.598 4.952 166 HZ3 LYS 22 2HZ LYS 22 1.949 6.498 3.393 167 H HIS 23 H HIS 23 -1.278 7.944 -1.513 168 HA HIS 23 HA HIS 23 0.079 5.420 -1.658 169 HB2 HIS 23 1HB HIS 23 -1.965 4.597 -2.697 170 HB3 HIS 23 2HB HIS 23 -2.281 5.528 -1.242 171 HD1 HIS 23 1HD HIS 23 -4.015 7.493 -1.506 172 HD2 HIS 23 2HD HIS 23 -2.607 5.851 -5.117 173 HE1 HIS 23 1HE HIS 23 -5.429 8.522 -3.360 174 H SER 24 H SER 24 -0.464 7.942 -4.132 175 HA SER 24 HA SER 24 0.421 6.414 -6.391 176 HB2 SER 24 1HB SER 24 0.655 9.408 -5.923 177 HB3 SER 24 2HB SER 24 0.736 8.578 -7.483 178 HG SER 24 HG SER 24 -1.432 7.964 -7.216 179 H LEU 25 H LEU 25 2.229 8.622 -4.164 180 HA LEU 25 HA LEU 25 4.791 8.054 -5.325 181 HB2 LEU 25 1HB LEU 25 4.449 10.030 -3.962 182 HB3 LEU 25 2HB LEU 25 3.999 9.049 -2.562 183 HG LEU 25 HG LEU 25 6.284 8.123 -2.436 184 HD11 LEU 25 1HD1 LEU 25 8.116 9.050 -3.760 185 HD12 LEU 25 2HD1 LEU 25 6.983 10.049 -4.695 186 HD13 LEU 25 3HD1 LEU 25 6.955 8.279 -4.833 187 HD21 LEU 25 3HD2 LEU 25 5.729 10.196 -1.209 188 HD22 LEU 25 1HD2 LEU 25 6.315 11.148 -2.595 189 HD23 LEU 25 2HD2 LEU 25 7.436 10.121 -1.684 190 H GLN 26 H GLN 26 3.108 6.512 -2.499 191 HA GLN 26 HA GLN 26 5.220 4.719 -1.865 192 HB2 GLN 26 1HB GLN 26 2.215 4.618 -1.473 193 HB3 GLN 26 2HB GLN 26 3.232 3.285 -0.955 194 HG2 GLN 26 1HG GLN 26 3.603 6.187 -0.064 195 HG3 GLN 26 2HG GLN 26 2.745 4.960 0.861 196 HE21 GLN 26 1HE2 GLN 26 5.077 6.452 1.789 197 HE22 GLN 26 2HE2 GLN 26 6.324 5.247 2.063 198 H ALA 27 H ALA 27 2.569 4.261 -4.249 199 HA ALA 27 HA ALA 27 3.438 1.608 -4.982 200 HB1 ALA 27 1HB ALA 27 1.851 1.887 -6.816 201 HB2 ALA 27 2HB ALA 27 1.152 2.428 -5.270 202 HB3 ALA 27 3HB ALA 27 1.719 3.629 -6.460 203 H HIS 28 H HIS 28 4.358 4.859 -6.143 204 HA HIS 28 HA HIS 28 5.948 3.944 -8.379 205 HB2 HIS 28 1HB HIS 28 5.239 6.222 -8.358 206 HB3 HIS 28 2HB HIS 28 5.886 6.501 -6.744 207 HD1 HIS 28 1HD HIS 28 7.266 5.736 -10.281 208 HD2 HIS 28 2HD HIS 28 8.371 7.279 -6.530 209 HE1 HIS 28 1HE HIS 28 9.649 6.553 -10.545 210 H LEU 29 H LEU 29 6.767 4.662 -4.949 211 HA LEU 29 HA LEU 29 9.552 4.355 -5.129 212 HB2 LEU 29 1HB LEU 29 7.590 3.887 -2.863 213 HB3 LEU 29 2HB LEU 29 9.324 3.734 -2.625 214 HG LEU 29 HG LEU 29 8.013 6.296 -3.624 215 HD11 LEU 29 1HD1 LEU 29 7.261 5.749 -1.338 216 HD12 LEU 29 2HD1 LEU 29 8.362 7.134 -1.334 217 HD13 LEU 29 3HD1 LEU 29 8.949 5.535 -0.828 218 HD21 LEU 29 3HD2 LEU 29 10.365 6.209 -4.233 219 HD22 LEU 29 1HD2 LEU 29 10.806 5.703 -2.585 220 HD23 LEU 29 2HD2 LEU 29 10.153 7.327 -2.895 221 H ARG 30 H ARG 30 7.217 1.809 -5.321 222 HA ARG 30 HA ARG 30 8.752 -0.450 -4.535 223 HB2 ARG 30 1HB ARG 30 6.724 -0.215 -6.796 224 HB3 ARG 30 2HB ARG 30 7.263 -1.722 -6.052 225 HG2 ARG 30 1HG ARG 30 6.342 -0.958 -3.853 226 HG3 ARG 30 2HG ARG 30 5.702 0.488 -4.642 227 HD2 ARG 30 1HD ARG 30 4.965 -2.388 -5.280 228 HD3 ARG 30 2HD ARG 30 3.963 -1.221 -4.400 229 HE ARG 30 HE ARG 30 4.479 0.049 -6.809 230 HH11 ARG 30 2HH1 ARG 30 2.922 -3.001 -6.002 231 HH12 ARG 30 1HH1 ARG 30 2.111 -3.055 -7.567 232 HH21 ARG 30 2HH2 ARG 30 3.357 -0.139 -8.739 233 HH22 ARG 30 1HH2 ARG 30 2.330 -1.536 -8.993 234 H ILE 31 H ILE 31 9.240 1.549 -7.414 235 HA ILE 31 HA ILE 31 10.824 -0.505 -8.761 236 HB ILE 31 HB ILE 31 11.271 1.010 -10.416 237 HG12 ILE 31 1HG1 ILE 31 10.324 3.324 -8.699 238 HG13 ILE 31 2HG1 ILE 31 11.973 2.982 -9.208 239 HG21 ILE 31 1HG2 ILE 31 8.939 0.087 -10.229 240 HG22 ILE 31 2HG2 ILE 31 8.422 1.660 -9.579 241 HG23 ILE 31 3HG2 ILE 31 9.072 1.538 -11.225 242 HD11 ILE 31 3HD1 ILE 31 9.680 3.796 -11.009 243 HD12 ILE 31 1HD1 ILE 31 11.165 4.694 -10.632 244 HD13 ILE 31 2HD1 ILE 31 11.257 3.208 -11.597 245 H HIS 32 H HIS 32 11.494 1.912 -6.383 246 HA HIS 32 HA HIS 32 14.411 1.914 -6.880 247 HB2 HIS 32 1HB HIS 32 12.718 3.466 -4.894 248 HB3 HIS 32 2HB HIS 32 14.438 3.694 -5.187 249 HD1 HIS 32 1HD HIS 32 14.882 4.268 -8.061 250 HD2 HIS 32 2HD HIS 32 11.317 5.265 -6.088 251 HE1 HIS 32 1HE HIS 32 13.846 6.147 -9.419 252 H THR 33 H THR 33 12.142 0.392 -4.678 253 HA THR 33 HA THR 33 14.218 -0.489 -2.782 254 HB THR 33 HB THR 33 12.392 -1.770 -1.740 255 HG1 THR 33 1HG THR 33 10.256 -1.117 -2.534 256 HG21 THR 33 3HG2 THR 33 12.796 0.610 -1.121 257 HG22 THR 33 1HG2 THR 33 11.111 0.110 -0.916 258 HG23 THR 33 2HG2 THR 33 11.574 1.109 -2.311 259 H ASN 34 H ASN 34 13.868 -3.074 -2.293 260 HA ASN 34 HA ASN 34 15.512 -4.385 -4.112 261 HB2 ASN 34 1HB ASN 34 14.977 -4.943 -1.686 262 HB3 ASN 34 2HB ASN 34 13.485 -5.699 -2.244 263 HD21 ASN 34 1HD2 ASN 34 13.741 -7.691 -3.701 264 HD22 ASN 34 2HD2 ASN 34 15.219 -8.606 -3.471 265 H GLU 35 H GLU 35 15.222 -6.100 -5.642 266 HA GLU 35 HA GLU 35 13.069 -5.846 -7.475 267 HB2 GLU 35 1HB GLU 35 14.001 -7.758 -8.611 268 HB3 GLU 35 2HB GLU 35 15.274 -6.647 -8.116 269 HG2 GLU 35 1HG GLU 35 15.797 -8.137 -6.173 270 HG3 GLU 35 2HG GLU 35 14.544 -9.258 -6.713 271 H LYS 36 H LYS 36 11.458 -7.312 -8.130 272 HA LYS 36 HA LYS 36 10.187 -8.909 -5.928 273 HB2 LYS 36 1HB LYS 36 8.910 -6.745 -7.633 274 HB3 LYS 36 2HB LYS 36 8.063 -7.809 -6.498 275 HG2 LYS 36 1HG LYS 36 9.338 -6.908 -4.613 276 HG3 LYS 36 2HG LYS 36 10.295 -5.917 -5.722 277 HD2 LYS 36 1HD LYS 36 8.227 -4.688 -6.406 278 HD3 LYS 36 2HD LYS 36 7.328 -5.610 -5.191 279 HE2 LYS 36 1HE LYS 36 7.919 -3.461 -4.240 280 HE3 LYS 36 2HE LYS 36 8.835 -4.723 -3.415 281 HZ1 LYS 36 3HZ LYS 36 10.265 -2.829 -3.984 282 HZ2 LYS 36 1HZ LYS 36 9.914 -2.951 -5.562 283 HZ3 LYS 36 2HZ LYS 36 10.767 -4.136 -4.816 284 HA PRO 37 HA PRO 37 10.419 -11.293 -9.896 285 HB2 PRO 37 1HB PRO 37 10.712 -13.808 -8.756 286 HB3 PRO 37 2HB PRO 37 12.031 -12.659 -9.078 287 HG2 PRO 37 1HG PRO 37 10.567 -13.099 -6.473 288 HG3 PRO 37 2HG PRO 37 12.336 -13.002 -6.745 289 HD2 PRO 37 1HD PRO 37 10.945 -10.862 -5.879 290 HD3 PRO 37 2HD PRO 37 12.239 -10.656 -7.084 291 H TYR 38 H TYR 38 8.409 -11.993 -7.063 292 HA TYR 38 HA TYR 38 6.623 -13.759 -8.574 293 HB2 TYR 38 1HB TYR 38 6.549 -12.805 -5.695 294 HB3 TYR 38 2HB TYR 38 5.409 -13.933 -6.400 295 HD1 TYR 38 1HD TYR 38 6.233 -16.126 -7.384 296 HD2 TYR 38 2HD TYR 38 8.696 -13.567 -4.959 297 HE1 TYR 38 1HE TYR 38 7.759 -18.049 -6.895 298 HE2 TYR 38 2HE TYR 38 10.231 -15.473 -4.477 299 HH TYR 38 HH TYR 38 10.674 -17.693 -4.840 300 H LYS 39 H LYS 39 5.711 -12.523 -10.143 301 HA LYS 39 HA LYS 39 4.248 -10.023 -9.470 302 HB2 LYS 39 1HB LYS 39 5.165 -11.246 -12.084 303 HB3 LYS 39 2HB LYS 39 4.180 -9.780 -11.979 304 HG2 LYS 39 1HG LYS 39 5.887 -8.599 -10.760 305 HG3 LYS 39 2HG LYS 39 6.857 -10.064 -10.552 306 HD2 LYS 39 1HD LYS 39 7.199 -10.181 -13.007 307 HD3 LYS 39 2HD LYS 39 6.261 -8.681 -13.202 308 HE2 LYS 39 1HE LYS 39 7.881 -7.482 -11.751 309 HE3 LYS 39 2HE LYS 39 8.798 -8.975 -11.522 310 HZ1 LYS 39 3HZ LYS 39 9.779 -7.588 -13.262 311 HZ2 LYS 39 1HZ LYS 39 8.401 -7.603 -14.133 312 HZ3 LYS 39 2HZ LYS 39 9.250 -8.983 -13.922 313 H CYS 40 H CYS 40 2.152 -9.645 -9.803 314 HA CYS 40 HA CYS 40 0.311 -11.869 -9.785 315 HB2 CYS 40 1HB CYS 40 -0.016 -9.881 -8.456 316 HB3 CYS 40 2HB CYS 40 -0.095 -8.876 -9.920 317 HA PRO 41 HA PRO 41 -0.346 -11.804 -14.283 318 HB2 PRO 41 1HB PRO 41 -2.128 -13.837 -14.508 319 HB3 PRO 41 2HB PRO 41 -0.414 -14.118 -14.081 320 HG2 PRO 41 1HG PRO 41 -2.798 -13.961 -12.216 321 HG3 PRO 41 2HG PRO 41 -1.490 -15.182 -12.242 322 HD2 PRO 41 1HD PRO 41 -1.504 -12.974 -10.569 323 HD3 PRO 41 2HD PRO 41 -0.001 -13.748 -11.158 324 H GLN 42 H GLN 42 -2.533 -10.829 -11.822 325 HA GLN 42 HA GLN 42 -4.689 -10.141 -13.781 326 HB2 GLN 42 1HB GLN 42 -4.828 -10.440 -10.771 327 HB3 GLN 42 2HB GLN 42 -6.176 -10.046 -11.824 328 HG2 GLN 42 1HG GLN 42 -4.607 -12.656 -11.819 329 HG3 GLN 42 2HG GLN 42 -6.190 -12.403 -11.114 330 HE21 GLN 42 1HE2 GLN 42 -5.772 -14.446 -13.005 331 HE22 GLN 42 2HE2 GLN 42 -6.656 -14.011 -14.460 332 H CYS 43 H CYS 43 -2.475 -8.587 -11.390 333 HA CYS 43 HA CYS 43 -3.381 -5.982 -12.443 334 HB2 CYS 43 1HB CYS 43 -3.886 -5.059 -10.302 335 HB3 CYS 43 2HB CYS 43 -4.862 -6.499 -10.526 336 H SER 44 H SER 44 -2.079 -4.198 -11.174 337 HA SER 44 HA SER 44 0.684 -4.564 -11.935 338 HB2 SER 44 1HB SER 44 -0.643 -2.181 -10.603 339 HB3 SER 44 2HB SER 44 0.909 -2.187 -11.459 340 HG SER 44 HG SER 44 -0.200 -2.690 -13.382 341 H TYR 45 H TYR 45 0.243 -6.353 -9.904 342 HA TYR 45 HA TYR 45 1.592 -5.276 -7.468 343 HB2 TYR 45 1HB TYR 45 -0.679 -6.133 -7.192 344 HB3 TYR 45 2HB TYR 45 -0.216 -7.679 -7.874 345 HD1 TYR 45 1HD TYR 45 1.266 -9.241 -6.478 346 HD2 TYR 45 2HD TYR 45 -0.066 -5.408 -4.990 347 HE1 TYR 45 1HE TYR 45 1.934 -9.899 -4.169 348 HE2 TYR 45 2HE TYR 45 0.593 -6.080 -2.685 349 HH TYR 45 HH TYR 45 2.094 -9.228 -1.938 350 H ALA 46 H ALA 46 3.389 -6.245 -6.616 351 HA ALA 46 HA ALA 46 4.352 -8.793 -7.656 352 HB1 ALA 46 1HB ALA 46 6.531 -8.009 -8.320 353 HB2 ALA 46 2HB ALA 46 5.327 -7.051 -9.193 354 HB3 ALA 46 3HB ALA 46 6.161 -6.347 -7.793 355 H SER 47 H SER 47 5.895 -9.818 -6.341 356 HA SER 47 HA SER 47 6.528 -8.653 -3.673 357 HB2 SER 47 1HB SER 47 4.374 -9.918 -3.577 358 HB3 SER 47 2HB SER 47 5.236 -11.377 -4.104 359 HG SER 47 HG SER 47 4.907 -10.661 -1.707 360 H ALA 48 H ALA 48 7.963 -10.082 -2.427 361 HA ALA 48 HA ALA 48 10.050 -11.417 -4.089 362 HB1 ALA 48 1HB ALA 48 10.796 -9.485 -2.759 363 HB2 ALA 48 2HB ALA 48 10.212 -10.276 -1.274 364 HB3 ALA 48 3HB ALA 48 11.549 -10.990 -2.203 365 H ILE 49 H ILE 49 7.328 -12.333 -2.405 366 HA ILE 49 HA ILE 49 8.505 -14.985 -1.679 367 HB ILE 49 HB ILE 49 6.427 -13.533 -0.009 368 HG12 ILE 49 1HG1 ILE 49 9.419 -13.774 0.508 369 HG13 ILE 49 2HG1 ILE 49 8.521 -12.287 0.180 370 HG21 ILE 49 1HG2 ILE 49 6.833 -15.327 1.616 371 HG22 ILE 49 2HG2 ILE 49 6.399 -16.045 0.085 372 HG23 ILE 49 3HG2 ILE 49 8.102 -16.018 0.584 373 HD11 ILE 49 3HD1 ILE 49 8.316 -13.985 2.680 374 HD12 ILE 49 1HD1 ILE 49 8.942 -12.342 2.512 375 HD13 ILE 49 2HD1 ILE 49 7.208 -12.644 2.285 376 H LYS 50 H LYS 50 7.464 -16.686 -2.491 377 HA LYS 50 HA LYS 50 5.260 -16.462 -4.285 378 HB2 LYS 50 1HB LYS 50 7.028 -18.227 -4.335 379 HB3 LYS 50 2HB LYS 50 6.386 -18.917 -2.862 380 HG2 LYS 50 1HG LYS 50 5.736 -20.188 -4.848 381 HG3 LYS 50 2HG LYS 50 4.340 -19.576 -3.975 382 HD2 LYS 50 1HD LYS 50 4.005 -17.804 -5.660 383 HD3 LYS 50 2HD LYS 50 5.468 -18.341 -6.517 384 HE2 LYS 50 1HE LYS 50 4.454 -20.574 -6.853 385 HE3 LYS 50 2HE LYS 50 2.991 -20.041 -6.015 386 HZ1 LYS 50 3HZ LYS 50 4.025 -18.880 -8.551 387 HZ2 LYS 50 1HZ LYS 50 2.664 -18.389 -7.781 388 HZ3 LYS 50 2HZ LYS 50 2.748 -19.884 -8.425 389 H ALA 51 H ALA 51 5.316 -17.569 -0.889 390 HA ALA 51 HA ALA 51 2.561 -18.259 -0.692 391 HB1 ALA 51 1HB ALA 51 4.490 -17.266 1.457 392 HB2 ALA 51 2HB ALA 51 2.960 -18.121 1.737 393 HB3 ALA 51 3HB ALA 51 4.295 -18.951 0.920 394 H ASN 52 H ASN 52 4.182 -15.087 -0.278 395 HA ASN 52 HA ASN 52 1.809 -13.673 0.576 396 HB2 ASN 52 1HB ASN 52 4.061 -12.798 0.994 397 HB3 ASN 52 2HB ASN 52 4.383 -12.727 -0.745 398 HD21 ASN 52 1HD2 ASN 52 2.364 -11.290 1.850 399 HD22 ASN 52 2HD2 ASN 52 2.032 -9.831 0.929 400 H LEU 53 H LEU 53 3.259 -14.251 -2.704 401 HA LEU 53 HA LEU 53 1.196 -12.851 -4.087 402 HB2 LEU 53 1HB LEU 53 3.332 -13.430 -5.126 403 HB3 LEU 53 2HB LEU 53 2.951 -15.153 -5.011 404 HG LEU 53 HG LEU 53 1.034 -14.851 -6.559 405 HD11 LEU 53 1HD1 LEU 53 0.809 -12.731 -7.828 406 HD12 LEU 53 2HD1 LEU 53 1.997 -11.959 -6.751 407 HD13 LEU 53 3HD1 LEU 53 0.421 -12.505 -6.129 408 HD21 LEU 53 3HD2 LEU 53 3.329 -15.362 -7.414 409 HD22 LEU 53 1HD2 LEU 53 3.543 -13.620 -7.710 410 HD23 LEU 53 2HD2 LEU 53 2.288 -14.517 -8.578 411 H ASN 54 H ASN 54 1.309 -16.267 -2.940 412 HA ASN 54 HA ASN 54 -1.172 -17.059 -4.117 413 HB2 ASN 54 1HB ASN 54 0.466 -18.630 -3.172 414 HB3 ASN 54 2HB ASN 54 0.166 -18.009 -1.551 415 HD21 ASN 54 1HD2 ASN 54 -1.504 -18.945 -0.363 416 HD22 ASN 54 2HD2 ASN 54 -2.654 -20.066 -1.073 417 H VAL 55 H VAL 55 -0.561 -15.505 -0.925 418 HA VAL 55 HA VAL 55 -3.351 -15.297 -0.186 419 HB VAL 55 HB VAL 55 -0.905 -13.752 0.704 420 HG11 VAL 55 1HG1 VAL 55 -3.709 -13.740 1.904 421 HG12 VAL 55 2HG1 VAL 55 -2.256 -13.096 2.698 422 HG13 VAL 55 3HG1 VAL 55 -2.845 -12.344 1.217 423 HG21 VAL 55 3HG2 VAL 55 -1.075 -15.171 2.705 424 HG22 VAL 55 1HG2 VAL 55 -2.510 -15.979 2.032 425 HG23 VAL 55 2HG2 VAL 55 -0.925 -16.175 1.262 426 H HIS 56 H HIS 56 -1.245 -13.178 -2.118 427 HA HIS 56 HA HIS 56 -3.208 -11.093 -2.459 428 HB2 HIS 56 1HB HIS 56 -0.844 -10.699 -2.846 429 HB3 HIS 56 2HB HIS 56 -0.817 -11.894 -4.144 430 HD1 HIS 56 1HD HIS 56 -2.239 -8.391 -3.427 431 HD2 HIS 56 2HD HIS 56 -1.740 -11.193 -6.521 432 HE1 HIS 56 1HE HIS 56 -3.024 -7.234 -5.539 433 H LEU 57 H LEU 57 -2.511 -14.013 -4.470 434 HA LEU 57 HA LEU 57 -4.494 -13.504 -6.482 435 HB2 LEU 57 1HB LEU 57 -3.208 -16.005 -5.390 436 HB3 LEU 57 2HB LEU 57 -4.341 -16.069 -6.730 437 HG LEU 57 HG LEU 57 -1.818 -14.356 -6.836 438 HD11 LEU 57 1HD1 LEU 57 -0.797 -16.218 -8.084 439 HD12 LEU 57 2HD1 LEU 57 -2.236 -17.224 -7.770 440 HD13 LEU 57 3HD1 LEU 57 -1.199 -16.696 -6.426 441 HD21 LEU 57 3HD2 LEU 57 -2.158 -14.641 -9.282 442 HD22 LEU 57 1HD2 LEU 57 -3.491 -13.766 -8.520 443 HD23 LEU 57 2HD2 LEU 57 -3.688 -15.478 -8.969 444 H ARG 58 H ARG 58 -4.763 -15.018 -3.293 445 HA ARG 58 HA ARG 58 -7.526 -15.799 -3.468 446 HB2 ARG 58 1HB ARG 58 -5.765 -15.078 -1.105 447 HB3 ARG 58 2HB ARG 58 -7.429 -15.626 -0.926 448 HG2 ARG 58 1HG ARG 58 -6.960 -17.760 -1.923 449 HG3 ARG 58 2HG ARG 58 -5.363 -17.252 -2.457 450 HD2 ARG 58 1HD ARG 58 -5.093 -18.656 -0.509 451 HD3 ARG 58 2HD ARG 58 -4.617 -17.015 -0.108 452 HE ARG 58 HE ARG 58 -6.382 -16.837 1.395 453 HH11 ARG 58 2HH1 ARG 58 -6.917 -19.780 -0.442 454 HH12 ARG 58 1HH1 ARG 58 -8.192 -20.310 0.620 455 HH21 ARG 58 2HH2 ARG 58 -8.016 -17.576 2.695 456 HH22 ARG 58 1HH2 ARG 58 -8.791 -19.091 2.343 457 H LYS 59 H LYS 59 -6.280 -12.595 -3.465 458 HA LYS 59 HA LYS 59 -8.816 -11.354 -2.576 459 HB2 LYS 59 1HB LYS 59 -6.458 -10.039 -3.978 460 HB3 LYS 59 2HB LYS 59 -7.781 -9.250 -3.128 461 HG2 LYS 59 1HG LYS 59 -7.018 -10.316 -0.994 462 HG3 LYS 59 2HG LYS 59 -5.619 -10.980 -1.866 463 HD2 LYS 59 1HD LYS 59 -4.902 -8.703 -2.489 464 HD3 LYS 59 2HD LYS 59 -6.250 -8.013 -1.577 465 HE2 LYS 59 1HE LYS 59 -4.050 -9.777 -0.390 466 HE3 LYS 59 2HE LYS 59 -4.027 -8.010 -0.378 467 HZ1 LYS 59 3HZ LYS 59 -4.897 -8.854 1.706 468 HZ2 LYS 59 1HZ LYS 59 -6.083 -9.687 0.961 469 HZ3 LYS 59 2HZ LYS 59 -6.085 -8.050 0.933 470 H HIS 60 H HIS 60 -7.500 -12.566 -5.567 471 HA HIS 60 HA HIS 60 -9.279 -10.929 -7.261 472 HB2 HIS 60 1HB HIS 60 -7.111 -12.976 -7.858 473 HB3 HIS 60 2HB HIS 60 -8.122 -12.244 -9.095 474 HD1 HIS 60 1HD HIS 60 -8.084 -9.348 -8.902 475 HD2 HIS 60 2HD HIS 60 -4.852 -11.669 -7.531 476 HE1 HIS 60 1HE HIS 60 -6.099 -7.780 -8.839 477 H THR 61 H THR 61 -9.267 -14.204 -5.964 478 HA THR 61 HA THR 61 -11.436 -15.139 -7.697 479 HB THR 61 HB THR 61 -9.804 -16.679 -6.690 480 HG1 THR 61 1HG THR 61 -11.353 -18.216 -6.211 481 HG21 THR 61 3HG2 THR 61 -11.306 -16.231 -4.072 482 HG22 THR 61 1HG2 THR 61 -9.653 -15.676 -4.408 483 HG23 THR 61 2HG2 THR 61 -10.010 -17.409 -4.382 484 H GLY 62 H GLY 62 -13.599 -15.755 -6.857 485 HA2 GLY 62 1HA GLY 62 -14.769 -14.448 -4.580 486 HA3 GLY 62 2HA GLY 62 -15.014 -13.466 -6.024 487 H GLU 63 H GLU 63 -17.263 -13.977 -5.141 488 HA GLU 63 HA GLU 63 -18.400 -16.608 -5.781 489 HB2 GLU 63 1HB GLU 63 -19.547 -14.053 -4.580 490 HB3 GLU 63 2HB GLU 63 -20.479 -15.521 -4.821 491 HG2 GLU 63 1HG GLU 63 -18.039 -15.237 -3.040 492 HG3 GLU 63 2HG GLU 63 -19.714 -15.327 -2.504 493 H LYS 64 H LYS 64 -20.536 -16.613 -6.721 494 HA LYS 64 HA LYS 64 -20.614 -15.459 -9.445 495 HB2 LYS 64 1HB LYS 64 -22.405 -17.397 -7.933 496 HB3 LYS 64 2HB LYS 64 -22.820 -16.748 -9.525 497 HG2 LYS 64 1HG LYS 64 -20.687 -17.640 -10.447 498 HG3 LYS 64 2HG LYS 64 -20.348 -18.401 -8.876 499 HD2 LYS 64 1HD LYS 64 -22.443 -19.729 -9.061 500 HD3 LYS 64 2HD LYS 64 -22.848 -18.891 -10.562 501 HE2 LYS 64 1HE LYS 64 -21.997 -20.985 -11.220 502 HE3 LYS 64 2HE LYS 64 -20.757 -19.786 -11.605 503 HZ1 LYS 64 3HZ LYS 64 -19.572 -20.476 -9.571 504 HZ2 LYS 64 1HZ LYS 64 -19.814 -21.770 -10.536 505 HZ3 LYS 64 2HZ LYS 64 -20.741 -21.563 -9.214 506 H PHE 65 H PHE 65 -22.323 -14.326 -10.284 507 HA PHE 65 HA PHE 65 -24.128 -12.801 -8.462 508 HB2 PHE 65 1HB PHE 65 -22.981 -11.891 -11.130 509 HB3 PHE 65 2HB PHE 65 -24.014 -10.967 -10.046 510 HD1 PHE 65 2HD PHE 65 -23.124 -10.056 -7.901 511 HD2 PHE 65 1HD PHE 65 -20.595 -12.160 -10.688 512 HE1 PHE 65 2HE PHE 65 -21.107 -9.203 -6.723 513 HE2 PHE 65 1HE PHE 65 -18.583 -11.311 -9.503 514 HZ PHE 65 HZ PHE 65 -18.838 -9.818 -7.531 515 H ALA 66 H ALA 66 -26.291 -12.510 -9.274 516 HA ALA 66 HA ALA 66 -27.103 -14.425 -11.422 517 HB1 ALA 66 1HB ALA 66 -28.430 -14.009 -8.717 518 HB2 ALA 66 2HB ALA 66 -28.957 -15.122 -9.998 519 HB3 ALA 66 3HB ALA 66 -27.413 -15.397 -9.164 520 H CYS 67 H CYS 67 -28.790 -13.924 -12.704 521 HA CYS 67 HA CYS 67 -29.409 -11.183 -13.184 522 HB2 CYS 67 1HB CYS 67 -29.212 -12.991 -14.846 523 HB3 CYS 67 2HB CYS 67 -30.684 -13.743 -14.218 524 H ASP 68 H ASP 68 -31.222 -10.005 -12.914 525 HA ASP 68 HA ASP 68 -33.052 -10.752 -10.706 526 HB2 ASP 68 1HB ASP 68 -31.854 -8.539 -10.806 527 HB3 ASP 68 2HB ASP 68 -32.811 -8.136 -12.230 528 H TYR 69 H TYR 69 -33.013 -11.033 -14.061 529 HA TYR 69 HA TYR 69 -35.982 -10.758 -14.372 530 HB2 TYR 69 1HB TYR 69 -33.766 -10.418 -16.387 531 HB3 TYR 69 2HB TYR 69 -35.481 -10.177 -16.692 532 HD1 TYR 69 1HD TYR 69 -36.666 -8.212 -15.701 533 HD2 TYR 69 2HD TYR 69 -32.405 -8.755 -15.294 534 HE1 TYR 69 1HE TYR 69 -36.418 -5.817 -15.066 535 HE2 TYR 69 2HE TYR 69 -32.159 -6.365 -14.650 536 HH TYR 69 HH TYR 69 -33.229 -4.376 -14.263 537 H CYS 70 H CYS 70 -33.319 -13.010 -14.720 538 HA CYS 70 HA CYS 70 -35.189 -15.141 -15.442 539 HB2 CYS 70 1HB CYS 70 -34.010 -15.973 -17.325 540 HB3 CYS 70 2HB CYS 70 -34.409 -14.294 -17.623 541 H SER 71 H SER 71 -33.384 -17.196 -15.835 542 HA SER 71 HA SER 71 -32.408 -17.673 -13.103 543 HB2 SER 71 1HB SER 71 -32.183 -20.008 -13.890 544 HB3 SER 71 2HB SER 71 -33.807 -19.345 -14.121 545 HG SER 71 HG SER 71 -33.046 -20.473 -15.982 546 H PHE 72 H PHE 72 -30.914 -16.272 -15.720 547 HA PHE 72 HA PHE 72 -28.485 -17.691 -16.008 548 HB2 PHE 72 1HB PHE 72 -29.326 -16.022 -17.578 549 HB3 PHE 72 2HB PHE 72 -29.134 -14.759 -16.376 550 HD1 PHE 72 1HD PHE 72 -27.221 -17.182 -18.496 551 HD2 PHE 72 2HD PHE 72 -27.089 -13.594 -16.113 552 HE1 PHE 72 1HE PHE 72 -24.931 -16.700 -19.338 553 HE2 PHE 72 2HE PHE 72 -24.805 -13.108 -16.962 554 HZ PHE 72 HZ PHE 72 -23.723 -14.665 -18.578 555 H THR 73 H THR 73 -26.435 -17.496 -15.202 556 HA THR 73 HA THR 73 -25.852 -15.617 -12.992 557 HB THR 73 HB THR 73 -24.559 -17.354 -11.796 558 HG1 THR 73 1HG THR 73 -25.069 -19.544 -12.287 559 HG21 THR 73 3HG2 THR 73 -26.391 -18.502 -10.711 560 HG22 THR 73 1HG2 THR 73 -27.482 -18.156 -12.074 561 HG23 THR 73 2HG2 THR 73 -26.871 -16.834 -11.058 562 H CYS 74 H CYS 74 -23.657 -15.078 -12.732 563 HA CYS 74 HA CYS 74 -21.689 -16.116 -14.673 564 HB2 CYS 74 1HB CYS 74 -22.886 -14.140 -15.739 565 HB3 CYS 74 2HB CYS 74 -22.228 -13.123 -14.442 566 HG CYS 74 HG CYS 74 -20.657 -15.008 -16.695 567 H LEU 75 H LEU 75 -19.482 -15.619 -14.097 568 HA LEU 75 HA LEU 75 -19.016 -15.267 -11.210 569 HB2 LEU 75 1HB LEU 75 -17.242 -15.940 -13.588 570 HB3 LEU 75 2HB LEU 75 -16.592 -15.558 -12.003 571 HG LEU 75 HG LEU 75 -17.906 -17.432 -10.997 572 HD11 LEU 75 1HD1 LEU 75 -18.434 -18.162 -13.913 573 HD12 LEU 75 2HD1 LEU 75 -19.654 -17.849 -12.655 574 HD13 LEU 75 3HD1 LEU 75 -18.621 -19.273 -12.543 575 HD21 LEU 75 3HD2 LEU 75 -15.520 -17.633 -11.596 576 HD22 LEU 75 1HD2 LEU 75 -15.968 -18.165 -13.232 577 HD23 LEU 75 2HD2 LEU 75 -16.367 -19.169 -11.819 578 H SER 76 H SER 76 -19.341 -13.107 -13.803 579 HA SER 76 HA SER 76 -17.834 -10.960 -12.348 580 HB2 SER 76 1HB SER 76 -17.992 -11.403 -15.354 581 HB3 SER 76 2HB SER 76 -17.336 -9.959 -14.564 582 HG SER 76 HG SER 76 -16.368 -12.632 -14.329 583 H LYS 77 H LYS 77 -19.073 -9.329 -11.733 584 HA LYS 77 HA LYS 77 -21.849 -9.142 -12.381 585 HB2 LYS 77 1HB LYS 77 -20.659 -8.431 -10.257 586 HB3 LYS 77 2HB LYS 77 -20.120 -6.981 -11.114 587 HG2 LYS 77 1HG LYS 77 -22.495 -6.344 -11.501 588 HG3 LYS 77 2HG LYS 77 -23.026 -7.840 -10.705 589 HD2 LYS 77 1HD LYS 77 -21.945 -7.100 -8.596 590 HD3 LYS 77 2HD LYS 77 -21.415 -5.604 -9.395 591 HE2 LYS 77 1HE LYS 77 -23.788 -5.014 -9.851 592 HE3 LYS 77 2HE LYS 77 -24.312 -6.500 -9.050 593 HZ1 LYS 77 3HZ LYS 77 -22.828 -4.287 -7.730 594 HZ2 LYS 77 1HZ LYS 77 -23.315 -5.660 -6.987 595 HZ3 LYS 77 2HZ LYS 77 -24.419 -4.598 -7.544 596 H GLY 78 H GLY 78 -19.060 -7.467 -13.779 597 HA2 GLY 78 1HA GLY 78 -20.471 -5.527 -15.353 598 HA3 GLY 78 2HA GLY 78 -18.869 -6.190 -15.704 599 H HIS 79 H HIS 79 -19.503 -8.921 -16.106 600 HA HIS 79 HA HIS 79 -20.645 -8.910 -18.763 601 HB2 HIS 79 1HB HIS 79 -18.856 -10.453 -17.973 602 HB3 HIS 79 2HB HIS 79 -20.032 -11.254 -16.935 603 HD1 HIS 79 1HD HIS 79 -18.891 -11.098 -20.551 604 HD2 HIS 79 2HD HIS 79 -22.035 -12.682 -18.245 605 HE1 HIS 79 1HE HIS 79 -20.088 -12.790 -22.038 606 H LEU 80 H LEU 80 -21.946 -9.798 -15.532 607 HA LEU 80 HA LEU 80 -24.507 -10.659 -16.464 608 HB2 LEU 80 1HB LEU 80 -23.697 -11.091 -14.192 609 HB3 LEU 80 2HB LEU 80 -23.678 -9.363 -13.843 610 HG LEU 80 HG LEU 80 -26.144 -9.257 -14.103 611 HD11 LEU 80 1HD1 LEU 80 -25.939 -12.287 -14.415 612 HD12 LEU 80 2HD1 LEU 80 -26.523 -11.141 -15.651 613 HD13 LEU 80 3HD1 LEU 80 -27.436 -11.364 -14.168 614 HD21 LEU 80 3HD2 LEU 80 -25.254 -11.430 -12.187 615 HD22 LEU 80 1HD2 LEU 80 -26.688 -10.385 -12.045 616 HD23 LEU 80 2HD2 LEU 80 -25.075 -9.679 -11.903 617 H LYS 81 H LYS 81 -23.336 -7.344 -15.623 618 HA LYS 81 HA LYS 81 -25.815 -6.032 -16.193 619 HB2 LYS 81 1HB LYS 81 -23.889 -5.035 -14.964 620 HB3 LYS 81 2HB LYS 81 -22.977 -4.950 -16.466 621 HG2 LYS 81 1HG LYS 81 -23.929 -2.793 -15.832 622 HG3 LYS 81 2HG LYS 81 -24.551 -3.327 -17.395 623 HD2 LYS 81 1HD LYS 81 -26.715 -3.809 -16.501 624 HD3 LYS 81 2HD LYS 81 -26.104 -3.853 -14.841 625 HE2 LYS 81 1HE LYS 81 -27.390 -1.835 -15.142 626 HE3 LYS 81 2HE LYS 81 -25.692 -1.437 -14.867 627 HZ1 LYS 81 3HZ LYS 81 -26.603 -0.107 -16.656 628 HZ2 LYS 81 1HZ LYS 81 -27.081 -1.406 -17.511 629 HZ3 LYS 81 2HZ LYS 81 -25.479 -1.099 -17.296 630 H VAL 82 H VAL 82 -23.096 -6.844 -18.385 631 HA VAL 82 HA VAL 82 -24.298 -5.798 -20.773 632 HB VAL 82 HB VAL 82 -22.276 -8.023 -20.354 633 HG11 VAL 82 1HG1 VAL 82 -23.321 -8.478 -22.512 634 HG12 VAL 82 2HG1 VAL 82 -23.193 -6.761 -22.971 635 HG13 VAL 82 3HG1 VAL 82 -21.733 -7.759 -22.774 636 HG21 VAL 82 3HG2 VAL 82 -21.566 -5.693 -19.768 637 HG22 VAL 82 1HG2 VAL 82 -20.686 -6.338 -21.157 638 HG23 VAL 82 2HG2 VAL 82 -22.002 -5.169 -21.403 639 H HIS 83 H HIS 83 -24.653 -9.081 -19.290 640 HA HIS 83 HA HIS 83 -26.483 -10.117 -21.214 641 HB2 HIS 83 1HB HIS 83 -25.567 -11.622 -19.639 642 HB3 HIS 83 2HB HIS 83 -26.034 -10.642 -18.266 643 HD1 HIS 83 1HD HIS 83 -27.487 -13.276 -20.587 644 HD2 HIS 83 2HD HIS 83 -28.572 -10.794 -17.376 645 HE1 HIS 83 1HE HIS 83 -29.724 -14.147 -19.769 646 H ILE 84 H ILE 84 -27.171 -8.114 -18.288 647 HA ILE 84 HA ILE 84 -30.009 -8.080 -18.687 648 HB ILE 84 HB ILE 84 -28.176 -6.198 -17.175 649 HG12 ILE 84 1HG1 ILE 84 -30.132 -8.317 -16.151 650 HG13 ILE 84 2HG1 ILE 84 -28.436 -8.652 -16.433 651 HG21 ILE 84 1HG2 ILE 84 -30.230 -4.970 -17.770 652 HG22 ILE 84 2HG2 ILE 84 -31.229 -6.317 -17.171 653 HG23 ILE 84 3HG2 ILE 84 -30.234 -5.349 -16.058 654 HD11 ILE 84 3HD1 ILE 84 -29.526 -6.683 -14.396 655 HD12 ILE 84 1HD1 ILE 84 -28.730 -8.233 -14.099 656 HD13 ILE 84 2HD1 ILE 84 -27.800 -6.889 -14.789 657 H GLU 85 H GLU 85 -27.517 -5.732 -19.812 658 HA GLU 85 HA GLU 85 -29.387 -4.017 -21.152 659 HB2 GLU 85 1HB GLU 85 -26.439 -4.575 -21.709 660 HB3 GLU 85 2HB GLU 85 -27.354 -3.292 -22.478 661 HG2 GLU 85 1HG GLU 85 -26.738 -3.517 -19.511 662 HG3 GLU 85 2HG GLU 85 -25.971 -2.436 -20.660 663 H ARG 86 H ARG 86 -27.767 -6.980 -22.313 664 HA ARG 86 HA ARG 86 -28.720 -6.589 -25.073 665 HB2 ARG 86 1HB ARG 86 -27.185 -8.817 -23.692 666 HB3 ARG 86 2HB ARG 86 -27.678 -8.875 -25.388 667 HG2 ARG 86 1HG ARG 86 -26.434 -6.797 -25.869 668 HG3 ARG 86 2HG ARG 86 -25.902 -6.706 -24.179 669 HD2 ARG 86 1HD ARG 86 -24.790 -8.902 -24.412 670 HD3 ARG 86 2HD ARG 86 -25.324 -8.995 -26.104 671 HE ARG 86 HE ARG 86 -23.930 -6.564 -25.841 672 HH11 ARG 86 2HH1 ARG 86 -23.106 -9.962 -25.631 673 HH12 ARG 86 1HH1 ARG 86 -21.452 -9.684 -26.097 674 HH21 ARG 86 1HH2 ARG 86 -21.806 -6.280 -26.431 675 HH22 ARG 86 2HH2 ARG 86 -20.742 -7.651 -26.541 676 H VAL 87 H VAL 87 -29.706 -8.668 -22.369 677 HA VAL 87 HA VAL 87 -31.666 -10.050 -24.124 678 HB VAL 87 HB VAL 87 -30.796 -10.722 -21.293 679 HG11 VAL 87 1HG1 VAL 87 -32.321 -12.354 -23.369 680 HG12 VAL 87 2HG1 VAL 87 -31.714 -12.964 -21.813 681 HG13 VAL 87 3HG1 VAL 87 -32.971 -11.730 -21.838 682 HG21 VAL 87 3HG2 VAL 87 -29.476 -12.536 -22.401 683 HG22 VAL 87 1HG2 VAL 87 -29.885 -11.847 -23.986 684 HG23 VAL 87 2HG2 VAL 87 -28.879 -10.936 -22.838 685 H HIS 88 H HIS 88 -31.667 -7.924 -21.266 686 HA HIS 88 HA HIS 88 -34.642 -8.192 -21.108 687 HB2 HIS 88 1HB HIS 88 -32.661 -7.523 -18.919 688 HB3 HIS 88 2HB HIS 88 -34.399 -7.751 -18.733 689 HD1 HIS 88 1HD HIS 88 -35.171 -10.421 -19.719 690 HD2 HIS 88 2HD HIS 88 -31.314 -9.627 -18.266 691 HE1 HIS 88 1HE HIS 88 -34.206 -12.673 -19.048 692 H LYS 89 H LYS 89 -32.358 -5.944 -22.082 693 HA LYS 89 HA LYS 89 -34.315 -3.708 -21.778 694 HB2 LYS 89 1HB LYS 89 -31.322 -3.494 -21.526 695 HB3 LYS 89 2HB LYS 89 -32.436 -2.131 -21.605 696 HG2 LYS 89 1HG LYS 89 -33.592 -2.929 -19.565 697 HG3 LYS 89 2HG LYS 89 -32.440 -4.269 -19.424 698 HD2 LYS 89 1HD LYS 89 -30.581 -2.706 -19.197 699 HD3 LYS 89 2HD LYS 89 -31.664 -1.318 -19.362 700 HE2 LYS 89 1HE LYS 89 -31.825 -3.421 -17.149 701 HE3 LYS 89 2HE LYS 89 -30.982 -1.878 -17.000 702 HZ1 LYS 89 3HZ LYS 89 -33.112 -0.748 -17.383 703 HZ2 LYS 89 1HZ LYS 89 -33.207 -1.723 -16.079 704 HZ3 LYS 89 2HZ LYS 89 -33.900 -2.180 -17.481 705 H LYS 90 H LYS 90 -34.038 -1.991 -23.375 706 HA LYS 90 HA LYS 90 -33.046 -2.836 -26.056 707 HB2 LYS 90 1HB LYS 90 -35.897 -1.931 -25.442 708 HB3 LYS 90 2HB LYS 90 -35.203 -2.038 -27.063 709 HG2 LYS 90 1HG LYS 90 -34.801 -4.479 -26.725 710 HG3 LYS 90 2HG LYS 90 -35.606 -4.368 -25.145 711 HD2 LYS 90 1HD LYS 90 -37.695 -3.607 -26.250 712 HD3 LYS 90 2HD LYS 90 -36.879 -3.636 -27.817 713 HE2 LYS 90 1HE LYS 90 -38.190 -5.619 -27.686 714 HE3 LYS 90 2HE LYS 90 -36.494 -6.092 -27.569 715 HZ1 LYS 90 3HZ LYS 90 -37.889 -7.240 -25.931 716 HZ2 LYS 90 1HZ LYS 90 -38.356 -5.830 -25.260 717 HZ3 LYS 90 2HZ LYS 90 -36.794 -6.312 -25.157 718 H ILE 91 H ILE 91 -32.887 -1.118 -27.584 719 HA ILE 91 HA ILE 91 -33.051 1.659 -26.645 720 HB ILE 91 HB ILE 91 -30.808 0.897 -25.986 721 HG12 ILE 91 1HG1 ILE 91 -30.663 2.899 -28.269 722 HG13 ILE 91 2HG1 ILE 91 -31.325 3.252 -26.668 723 HG21 ILE 91 1HG2 ILE 91 -29.081 0.299 -27.591 724 HG22 ILE 91 2HG2 ILE 91 -30.432 -0.811 -27.778 725 HG23 ILE 91 3HG2 ILE 91 -30.203 0.503 -28.951 726 HD11 ILE 91 3HD1 ILE 91 -29.111 2.683 -25.650 727 HD12 ILE 91 1HD1 ILE 91 -28.445 2.480 -27.290 728 HD13 ILE 91 2HD1 ILE 91 -29.052 4.059 -26.771 729 H LYS 92 H LYS 92 -33.227 3.177 -28.303 730 HA LYS 92 HA LYS 92 -33.257 2.330 -31.133 731 HB2 LYS 92 1HB LYS 92 -35.538 1.881 -30.223 732 HB3 LYS 92 2HB LYS 92 -35.682 3.588 -29.777 733 HG2 LYS 92 1HG LYS 92 -35.413 4.228 -32.170 734 HG3 LYS 92 2HG LYS 92 -35.267 2.523 -32.614 735 HD2 LYS 92 1HD LYS 92 -37.710 3.809 -31.310 736 HD3 LYS 92 2HD LYS 92 -37.521 3.493 -33.041 737 HE2 LYS 92 1HE LYS 92 -37.285 1.055 -32.566 738 HE3 LYS 92 2HE LYS 92 -37.541 1.374 -30.845 739 HZ1 LYS 92 3HZ LYS 92 -39.514 1.948 -32.992 740 HZ2 LYS 92 1HZ LYS 92 -39.748 2.246 -31.402 741 HZ3 LYS 92 2HZ LYS 92 -39.604 0.711 -31.933 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 0.509 22.137 -49.327 2 H2 GLY 1 2H GLY 1 1.971 21.905 -48.624 3 H3 GLY 1 3H GLY 1 0.995 23.108 -48.099 4 HA2 GLY 1 1HA GLY 1 -0.644 21.525 -47.314 5 HA3 GLY 1 2HA GLY 1 0.426 20.226 -47.870 6 H SER 2 H SER 2 0.431 19.420 -45.692 7 HA SER 2 HA SER 2 2.576 20.570 -44.030 8 HB2 SER 2 1HB SER 2 0.393 21.572 -43.224 9 HB3 SER 2 2HB SER 2 -0.131 19.931 -42.803 10 HG SER 2 HG SER 2 0.858 21.067 -41.039 11 H SER 3 H SER 3 3.338 19.058 -42.388 12 HA SER 3 HA SER 3 3.680 16.422 -43.468 13 HB2 SER 3 1HB SER 3 4.444 17.503 -40.731 14 HB3 SER 3 2HB SER 3 5.046 16.007 -41.474 15 HG SER 3 HG SER 3 6.487 17.781 -41.783 16 H GLY 4 H GLY 4 2.979 14.434 -42.832 17 HA2 GLY 4 1HA GLY 4 0.510 14.169 -41.273 18 HA3 GLY 4 2HA GLY 4 1.407 12.888 -42.080 19 H SER 5 H SER 5 0.453 12.129 -39.800 20 HA SER 5 HA SER 5 2.210 12.503 -37.503 21 HB2 SER 5 1HB SER 5 0.851 10.660 -36.530 22 HB3 SER 5 2HB SER 5 -0.105 12.034 -37.107 23 HG SER 5 HG SER 5 -1.003 10.018 -37.754 24 H SER 6 H SER 6 3.384 10.722 -36.465 25 HA SER 6 HA SER 6 5.222 9.470 -38.304 26 HB2 SER 6 1HB SER 6 5.902 10.291 -36.093 27 HB3 SER 6 2HB SER 6 4.914 9.034 -35.315 28 HG SER 6 HG SER 6 7.237 8.566 -35.683 29 H GLY 7 H GLY 7 5.508 7.385 -38.900 30 HA2 GLY 7 1HA GLY 7 3.196 5.574 -38.817 31 HA3 GLY 7 2HA GLY 7 4.674 5.388 -39.759 32 H LYS 8 H LYS 8 5.715 5.952 -36.627 33 HA LYS 8 HA LYS 8 6.607 3.229 -36.368 34 HB2 LYS 8 1HB LYS 8 7.885 3.928 -34.523 35 HB3 LYS 8 2HB LYS 8 7.931 5.233 -35.708 36 HG2 LYS 8 1HG LYS 8 6.117 6.407 -34.363 37 HG3 LYS 8 2HG LYS 8 6.279 5.148 -33.137 38 HD2 LYS 8 1HD LYS 8 8.494 7.030 -34.054 39 HD3 LYS 8 2HD LYS 8 7.548 7.191 -32.569 40 HE2 LYS 8 1HE LYS 8 8.416 4.997 -31.772 41 HE3 LYS 8 2HE LYS 8 9.372 4.839 -33.251 42 HZ1 LYS 8 3HZ LYS 8 10.594 6.842 -32.619 43 HZ2 LYS 8 1HZ LYS 8 10.710 5.729 -31.435 44 HZ3 LYS 8 2HZ LYS 8 9.715 7.012 -31.252 45 H ILE 9 H ILE 9 6.459 1.845 -34.577 46 HA ILE 9 HA ILE 9 3.834 1.766 -33.156 47 HB ILE 9 HB ILE 9 5.080 -0.459 -34.828 48 HG12 ILE 9 1HG1 ILE 9 2.474 1.100 -35.192 49 HG13 ILE 9 2HG1 ILE 9 3.918 1.246 -36.191 50 HG21 ILE 9 1HG2 ILE 9 2.564 -0.503 -33.100 51 HG22 ILE 9 2HG2 ILE 9 3.098 -1.807 -34.185 52 HG23 ILE 9 3HG2 ILE 9 4.073 -1.403 -32.798 53 HD11 ILE 9 3HD1 ILE 9 3.666 -1.153 -36.873 54 HD12 ILE 9 1HD1 ILE 9 2.077 -1.152 -36.063 55 HD13 ILE 9 2HD1 ILE 9 2.379 -0.058 -37.417 56 H PHE 10 H PHE 10 3.874 0.670 -31.167 57 HA PHE 10 HA PHE 10 6.597 0.191 -30.017 58 HB2 PHE 10 1HB PHE 10 4.075 1.285 -28.721 59 HB3 PHE 10 2HB PHE 10 5.587 0.959 -27.895 60 HD1 PHE 10 1HD PHE 10 3.917 3.167 -30.370 61 HD2 PHE 10 2HD PHE 10 7.513 2.436 -28.106 62 HE1 PHE 10 1HE PHE 10 4.742 5.438 -30.950 63 HE2 PHE 10 2HE PHE 10 8.334 4.707 -28.680 64 HZ PHE 10 HZ PHE 10 6.946 6.217 -30.087 65 H THR 11 H THR 11 6.982 -1.718 -28.921 66 HA THR 11 HA THR 11 4.729 -3.658 -28.636 67 HB THR 11 HB THR 11 7.463 -4.252 -29.815 68 HG1 THR 11 1HG THR 11 6.369 -4.411 -31.759 69 HG21 THR 11 3HG2 THR 11 6.390 -6.374 -30.524 70 HG22 THR 11 1HG2 THR 11 4.913 -5.914 -29.648 71 HG23 THR 11 2HG2 THR 11 6.427 -6.219 -28.763 72 H CYS 12 H CYS 12 4.733 -4.906 -26.876 73 HA CYS 12 HA CYS 12 6.601 -4.453 -24.693 74 HB2 CYS 12 1HB CYS 12 4.228 -4.741 -24.331 75 HB3 CYS 12 2HB CYS 12 4.262 -6.344 -25.102 76 H GLU 13 H GLU 13 8.381 -5.554 -24.219 77 HA GLU 13 HA GLU 13 9.247 -7.809 -25.891 78 HB2 GLU 13 1HB GLU 13 11.378 -7.579 -24.831 79 HB3 GLU 13 2HB GLU 13 10.794 -5.994 -25.327 80 HG2 GLU 13 1HG GLU 13 10.088 -5.534 -22.970 81 HG3 GLU 13 2HG GLU 13 10.718 -7.114 -22.488 82 H TYR 14 H TYR 14 7.368 -7.636 -23.107 83 HA TYR 14 HA TYR 14 8.401 -10.185 -21.948 84 HB2 TYR 14 1HB TYR 14 6.498 -8.120 -20.836 85 HB3 TYR 14 2HB TYR 14 7.064 -9.549 -19.992 86 HD1 TYR 14 2HD TYR 14 9.479 -9.750 -19.321 87 HD2 TYR 14 1HD TYR 14 7.830 -6.114 -20.959 88 HE1 TYR 14 2HE TYR 14 11.405 -8.465 -18.403 89 HE2 TYR 14 1HE TYR 14 9.765 -4.831 -20.038 90 HH TYR 14 HH TYR 14 12.390 -6.408 -18.182 91 H CYS 15 H CYS 15 5.453 -8.825 -23.410 92 HA CYS 15 HA CYS 15 4.330 -11.574 -23.511 93 HB2 CYS 15 1HB CYS 15 2.156 -10.872 -22.873 94 HB3 CYS 15 2HB CYS 15 3.316 -10.473 -21.608 95 H ASN 16 H ASN 16 5.476 -9.333 -25.458 96 HA ASN 16 HA ASN 16 5.323 -8.806 -27.614 97 HB2 ASN 16 1HB ASN 16 5.546 -11.337 -27.600 98 HB3 ASN 16 2HB ASN 16 3.827 -11.407 -27.991 99 HD21 ASN 16 1HD2 ASN 16 4.337 -12.460 -30.008 100 HD22 ASN 16 2HD2 ASN 16 5.047 -11.547 -31.332 101 H LYS 17 H LYS 17 2.949 -7.953 -25.932 102 HA LYS 17 HA LYS 17 0.776 -7.499 -27.822 103 HB2 LYS 17 1HB LYS 17 1.549 -6.277 -25.154 104 HB3 LYS 17 2HB LYS 17 0.156 -5.703 -26.097 105 HG2 LYS 17 1HG LYS 17 -0.882 -7.922 -26.001 106 HG3 LYS 17 2HG LYS 17 0.542 -8.559 -25.157 107 HD2 LYS 17 1HD LYS 17 0.132 -6.785 -23.359 108 HD3 LYS 17 2HD LYS 17 -1.374 -6.384 -24.176 109 HE2 LYS 17 1HE LYS 17 -1.714 -7.823 -22.242 110 HE3 LYS 17 2HE LYS 17 -2.273 -8.601 -23.729 111 HZ1 LYS 17 3HZ LYS 17 -0.895 -10.047 -22.183 112 HZ2 LYS 17 1HZ LYS 17 0.426 -9.143 -22.595 113 HZ3 LYS 17 2HZ LYS 17 -0.359 -10.001 -23.726 114 H VAL 18 H VAL 18 0.187 -5.586 -28.766 115 HA VAL 18 HA VAL 18 2.435 -3.754 -29.525 116 HB VAL 18 HB VAL 18 0.182 -4.782 -31.284 117 HG11 VAL 18 1HG1 VAL 18 2.546 -2.967 -31.884 118 HG12 VAL 18 2HG1 VAL 18 1.469 -3.669 -33.112 119 HG13 VAL 18 3HG1 VAL 18 0.826 -2.507 -31.954 120 HG21 VAL 18 3HG2 VAL 18 1.900 -6.521 -30.896 121 HG22 VAL 18 1HG2 VAL 18 2.005 -5.902 -32.542 122 HG23 VAL 18 2HG2 VAL 18 3.179 -5.362 -31.323 123 H PHE 19 H PHE 19 2.111 -1.632 -29.552 124 HA PHE 19 HA PHE 19 -0.520 -0.483 -28.753 125 HB2 PHE 19 1HB PHE 19 2.191 0.100 -27.495 126 HB3 PHE 19 2HB PHE 19 0.668 0.872 -27.087 127 HD1 PHE 19 2HD PHE 19 -1.144 -0.413 -25.910 128 HD2 PHE 19 1HD PHE 19 2.756 -2.098 -26.628 129 HE1 PHE 19 2HE PHE 19 -1.640 -2.246 -24.307 130 HE2 PHE 19 1HE PHE 19 2.259 -3.927 -25.026 131 HZ PHE 19 HZ PHE 19 0.041 -4.031 -23.886 132 H LYS 20 H LYS 20 -0.886 1.653 -29.329 133 HA LYS 20 HA LYS 20 0.365 2.469 -31.815 134 HB2 LYS 20 1HB LYS 20 -2.080 2.569 -31.270 135 HB3 LYS 20 2HB LYS 20 -1.753 3.892 -30.146 136 HG2 LYS 20 1HG LYS 20 -0.952 5.305 -31.983 137 HG3 LYS 20 2HG LYS 20 -1.070 3.950 -33.123 138 HD2 LYS 20 1HD LYS 20 -3.516 3.877 -32.814 139 HD3 LYS 20 2HD LYS 20 -3.420 5.197 -31.629 140 HE2 LYS 20 1HE LYS 20 -2.458 6.687 -33.366 141 HE3 LYS 20 2HE LYS 20 -2.533 5.373 -34.545 142 HZ1 LYS 20 3HZ LYS 20 -4.896 6.579 -33.200 143 HZ2 LYS 20 1HZ LYS 20 -4.958 5.367 -34.294 144 HZ3 LYS 20 2HZ LYS 20 -4.451 6.849 -34.747 145 H PHE 21 H PHE 21 0.739 3.547 -28.499 146 HA PHE 21 HA PHE 21 2.619 5.698 -29.379 147 HB2 PHE 21 1HB PHE 21 0.586 5.916 -27.138 148 HB3 PHE 21 2HB PHE 21 1.705 7.157 -27.668 149 HD1 PHE 21 2HD PHE 21 1.481 8.006 -30.139 150 HD2 PHE 21 1HD PHE 21 -1.605 5.855 -28.026 151 HE1 PHE 21 2HE PHE 21 -0.230 8.943 -31.678 152 HE2 PHE 21 1HE PHE 21 -3.314 6.809 -29.555 153 HZ PHE 21 HZ PHE 21 -2.630 8.358 -31.381 154 H LYS 22 H LYS 22 4.190 6.364 -27.887 155 HA LYS 22 HA LYS 22 5.529 4.352 -26.411 156 HB2 LYS 22 1HB LYS 22 6.444 6.523 -27.412 157 HB3 LYS 22 2HB LYS 22 5.789 7.370 -26.011 158 HG2 LYS 22 1HG LYS 22 7.210 5.973 -24.514 159 HG3 LYS 22 2HG LYS 22 7.816 5.084 -25.926 160 HD2 LYS 22 1HD LYS 22 8.728 7.225 -26.851 161 HD3 LYS 22 2HD LYS 22 8.171 8.070 -25.389 162 HE2 LYS 22 1HE LYS 22 9.596 6.560 -24.003 163 HE3 LYS 22 2HE LYS 22 10.158 5.754 -25.477 164 HZ1 LYS 22 3HZ LYS 22 11.111 7.884 -26.193 165 HZ2 LYS 22 1HZ LYS 22 11.728 7.460 -24.744 166 HZ3 LYS 22 2HZ LYS 22 10.591 8.627 -24.833 167 H HIS 23 H HIS 23 3.340 6.929 -25.245 168 HA HIS 23 HA HIS 23 3.636 6.313 -22.466 169 HB2 HIS 23 1HB HIS 23 1.673 7.715 -22.135 170 HB3 HIS 23 2HB HIS 23 2.862 8.467 -23.184 171 HD1 HIS 23 1HD HIS 23 1.947 9.335 -25.492 172 HD2 HIS 23 2HD HIS 23 -0.635 6.746 -23.406 173 HE1 HIS 23 1HE HIS 23 -0.266 9.360 -26.754 174 H SER 24 H SER 24 1.451 4.939 -24.935 175 HA SER 24 HA SER 24 -0.218 3.450 -23.138 176 HB2 SER 24 1HB SER 24 0.571 2.779 -25.993 177 HB3 SER 24 2HB SER 24 -0.823 2.139 -25.110 178 HG SER 24 HG SER 24 -1.696 4.235 -25.072 179 H LEU 25 H LEU 25 2.790 2.515 -24.918 180 HA LEU 25 HA LEU 25 2.971 -0.076 -23.693 181 HB2 LEU 25 1HB LEU 25 4.122 0.421 -25.767 182 HB3 LEU 25 2HB LEU 25 5.069 1.696 -24.993 183 HG LEU 25 HG LEU 25 6.220 0.033 -23.581 184 HD11 LEU 25 1HD1 LEU 25 4.668 -2.075 -25.149 185 HD12 LEU 25 2HD1 LEU 25 4.470 -1.723 -23.418 186 HD13 LEU 25 3HD1 LEU 25 5.997 -2.375 -24.005 187 HD21 LEU 25 3HD2 LEU 25 6.273 -0.771 -26.504 188 HD22 LEU 25 1HD2 LEU 25 7.551 -1.035 -25.305 189 HD23 LEU 25 2HD2 LEU 25 7.144 0.618 -25.802 190 H GLN 26 H GLN 26 4.434 3.093 -22.728 191 HA GLN 26 HA GLN 26 5.879 2.086 -20.486 192 HB2 GLN 26 1HB GLN 26 4.701 4.795 -21.171 193 HB3 GLN 26 2HB GLN 26 5.527 4.537 -19.648 194 HG2 GLN 26 1HG GLN 26 6.770 3.987 -22.388 195 HG3 GLN 26 2HG GLN 26 6.991 5.475 -21.478 196 HE21 GLN 26 1HE2 GLN 26 9.211 3.933 -22.279 197 HE22 GLN 26 2HE2 GLN 26 9.932 3.252 -20.829 198 H ALA 27 H ALA 27 2.463 3.201 -20.637 199 HA ALA 27 HA ALA 27 1.989 2.743 -17.826 200 HB1 ALA 27 1HB ALA 27 0.073 2.935 -20.177 201 HB2 ALA 27 2HB ALA 27 -0.356 3.057 -18.453 202 HB3 ALA 27 3HB ALA 27 0.685 4.293 -19.200 203 H HIS 28 H HIS 28 1.688 0.636 -20.713 204 HA HIS 28 HA HIS 28 0.508 -1.600 -19.334 205 HB2 HIS 28 1HB HIS 28 0.399 -1.472 -21.731 206 HB3 HIS 28 2HB HIS 28 2.152 -1.349 -21.876 207 HD1 HIS 28 1HD HIS 28 -0.395 -3.978 -20.584 208 HD2 HIS 28 2HD HIS 28 3.482 -3.561 -22.153 209 HE1 HIS 28 1HE HIS 28 0.510 -6.333 -20.821 210 H LEU 29 H LEU 29 3.937 -0.710 -19.933 211 HA LEU 29 HA LEU 29 5.146 -3.039 -18.912 212 HB2 LEU 29 1HB LEU 29 6.030 -0.153 -19.174 213 HB3 LEU 29 2HB LEU 29 7.108 -1.346 -18.475 214 HG LEU 29 HG LEU 29 5.883 -1.711 -21.239 215 HD11 LEU 29 1HD1 LEU 29 8.066 -0.946 -22.112 216 HD12 LEU 29 2HD1 LEU 29 8.595 -0.549 -20.462 217 HD13 LEU 29 3HD1 LEU 29 7.253 0.341 -21.211 218 HD21 LEU 29 3HD2 LEU 29 7.783 -3.265 -21.541 219 HD22 LEU 29 1HD2 LEU 29 6.744 -3.785 -20.215 220 HD23 LEU 29 2HD2 LEU 29 8.284 -2.978 -19.859 221 H ARG 30 H ARG 30 3.497 -0.666 -17.039 222 HA ARG 30 HA ARG 30 4.776 -0.890 -14.506 223 HB2 ARG 30 1HB ARG 30 1.826 -0.557 -15.203 224 HB3 ARG 30 2HB ARG 30 2.520 -0.305 -13.596 225 HG2 ARG 30 1HG ARG 30 3.943 1.515 -14.430 226 HG3 ARG 30 2HG ARG 30 3.339 1.270 -16.078 227 HD2 ARG 30 1HD ARG 30 1.039 1.780 -15.308 228 HD3 ARG 30 2HD ARG 30 1.666 2.110 -13.681 229 HE ARG 30 HE ARG 30 3.197 3.752 -15.255 230 HH11 ARG 30 2HH2 ARG 30 -0.278 3.455 -14.922 231 HH12 ARG 30 1HH2 ARG 30 -0.556 5.110 -15.389 232 HH21 ARG 30 2HH1 ARG 30 2.772 5.855 -15.835 233 HH22 ARG 30 1HH1 ARG 30 1.132 6.427 -15.887 234 H ILE 31 H ILE 31 2.848 -3.347 -16.163 235 HA ILE 31 HA ILE 31 2.545 -4.940 -13.723 236 HB ILE 31 HB ILE 31 1.412 -6.498 -14.951 237 HG12 ILE 31 1HG1 ILE 31 2.385 -5.264 -17.543 238 HG13 ILE 31 2HG1 ILE 31 2.809 -6.838 -16.878 239 HG21 ILE 31 1HG2 ILE 31 -0.464 -5.244 -15.764 240 HG22 ILE 31 2HG2 ILE 31 0.281 -4.288 -14.486 241 HG23 ILE 31 3HG2 ILE 31 0.557 -3.856 -16.188 242 HD11 ILE 31 3HD1 ILE 31 0.408 -7.522 -17.028 243 HD12 ILE 31 1HD1 ILE 31 0.089 -6.011 -17.920 244 HD13 ILE 31 2HD1 ILE 31 1.204 -7.219 -18.586 245 H HIS 32 H HIS 32 4.924 -4.716 -16.228 246 HA HIS 32 HA HIS 32 6.115 -7.367 -15.584 247 HB2 HIS 32 1HB HIS 32 6.789 -5.361 -17.762 248 HB3 HIS 32 2HB HIS 32 7.458 -6.978 -17.593 249 HD1 HIS 32 1HD HIS 32 5.266 -8.970 -17.633 250 HD2 HIS 32 2HD HIS 32 5.026 -5.275 -19.610 251 HE1 HIS 32 1HE HIS 32 3.591 -9.300 -19.516 252 H THR 33 H THR 33 6.788 -3.951 -15.181 253 HA THR 33 HA THR 33 9.631 -4.234 -14.608 254 HB THR 33 HB THR 33 9.446 -1.786 -14.035 255 HG1 THR 33 1HG THR 33 6.878 -1.958 -15.153 256 HG21 THR 33 3HG2 THR 33 10.088 -2.459 -16.266 257 HG22 THR 33 1HG2 THR 33 9.010 -1.057 -16.348 258 HG23 THR 33 2HG2 THR 33 8.398 -2.678 -16.747 259 H ASN 34 H ASN 34 10.132 -2.602 -12.512 260 HA ASN 34 HA ASN 34 10.661 -2.620 -10.366 261 HB2 ASN 34 1HB ASN 34 8.235 -2.351 -9.924 262 HB3 ASN 34 2HB ASN 34 8.082 -4.101 -9.757 263 HD21 ASN 34 1HD2 ASN 34 9.410 -1.173 -8.256 264 HD22 ASN 34 2HD2 ASN 34 9.751 -1.954 -6.721 265 H GLU 35 H GLU 35 11.762 -3.798 -8.775 266 HA GLU 35 HA GLU 35 13.094 -6.102 -9.912 267 HB2 GLU 35 1HB GLU 35 13.447 -4.649 -7.262 268 HB3 GLU 35 2HB GLU 35 14.525 -5.905 -7.884 269 HG2 GLU 35 1HG GLU 35 14.985 -4.510 -9.898 270 HG3 GLU 35 2HG GLU 35 13.984 -3.221 -9.224 271 H LYS 36 H LYS 36 10.445 -5.880 -7.657 272 HA LYS 36 HA LYS 36 10.867 -8.318 -6.188 273 HB2 LYS 36 1HB LYS 36 8.378 -6.723 -6.889 274 HB3 LYS 36 2HB LYS 36 8.344 -8.159 -5.869 275 HG2 LYS 36 1HG LYS 36 9.888 -7.125 -4.261 276 HG3 LYS 36 2HG LYS 36 10.015 -5.679 -5.277 277 HD2 LYS 36 1HD LYS 36 7.562 -5.298 -5.017 278 HD3 LYS 36 2HD LYS 36 7.478 -6.711 -3.940 279 HE2 LYS 36 1HE LYS 36 9.089 -5.635 -2.393 280 HE3 LYS 36 2HE LYS 36 9.191 -4.232 -3.466 281 HZ1 LYS 36 3HZ LYS 36 7.623 -3.846 -1.653 282 HZ2 LYS 36 1HZ LYS 36 6.717 -5.135 -2.084 283 HZ3 LYS 36 2HZ LYS 36 6.819 -3.837 -3.072 284 HA PRO 37 HA PRO 37 10.391 -10.826 -9.815 285 HB2 PRO 37 1HB PRO 37 10.716 -13.362 -8.772 286 HB3 PRO 37 2HB PRO 37 12.027 -12.160 -8.911 287 HG2 PRO 37 1HG PRO 37 10.330 -12.748 -6.473 288 HG3 PRO 37 2HG PRO 37 12.118 -12.660 -6.577 289 HD2 PRO 37 1HD PRO 37 10.665 -10.526 -5.757 290 HD3 PRO 37 2HD PRO 37 12.075 -10.307 -6.826 291 H TYR 38 H TYR 38 8.294 -11.731 -7.068 292 HA TYR 38 HA TYR 38 6.669 -13.476 -8.761 293 HB2 TYR 38 1HB TYR 38 6.363 -12.683 -5.849 294 HB3 TYR 38 2HB TYR 38 5.364 -13.853 -6.687 295 HD1 TYR 38 1HD TYR 38 6.532 -15.836 -7.877 296 HD2 TYR 38 2HD TYR 38 8.390 -13.410 -4.849 297 HE1 TYR 38 1HE TYR 38 8.175 -17.664 -7.415 298 HE2 TYR 38 2HE TYR 38 10.039 -15.221 -4.385 299 HH TYR 38 HH TYR 38 10.750 -17.333 -4.944 300 H LYS 39 H LYS 39 5.991 -12.022 -10.333 301 HA LYS 39 HA LYS 39 4.236 -9.748 -9.768 302 HB2 LYS 39 1HB LYS 39 5.114 -11.198 -12.284 303 HB3 LYS 39 2HB LYS 39 3.731 -10.115 -12.320 304 HG2 LYS 39 1HG LYS 39 5.551 -8.856 -13.041 305 HG3 LYS 39 2HG LYS 39 5.109 -8.259 -11.446 306 HD2 LYS 39 1HD LYS 39 7.063 -9.466 -10.477 307 HD3 LYS 39 2HD LYS 39 7.455 -10.106 -12.096 308 HE2 LYS 39 1HE LYS 39 7.583 -7.722 -12.927 309 HE3 LYS 39 2HE LYS 39 7.342 -7.173 -11.264 310 HZ1 LYS 39 3HZ LYS 39 9.658 -7.170 -11.743 311 HZ2 LYS 39 1HZ LYS 39 9.655 -8.738 -12.251 312 HZ3 LYS 39 2HZ LYS 39 9.371 -8.354 -10.668 313 H CYS 40 H CYS 40 2.096 -9.559 -9.854 314 HA CYS 40 HA CYS 40 0.363 -11.861 -9.637 315 HB2 CYS 40 1HB CYS 40 0.024 -9.839 -8.375 316 HB3 CYS 40 2HB CYS 40 -0.119 -8.880 -9.865 317 HA PRO 41 HA PRO 41 -0.474 -12.015 -14.107 318 HB2 PRO 41 1HB PRO 41 -2.343 -13.986 -14.159 319 HB3 PRO 41 2HB PRO 41 -0.625 -14.309 -13.780 320 HG2 PRO 41 1HG PRO 41 -2.922 -13.946 -11.834 321 HG3 PRO 41 2HG PRO 41 -1.676 -15.232 -11.849 322 HD2 PRO 41 1HD PRO 41 -1.504 -12.958 -10.289 323 HD3 PRO 41 2HD PRO 41 -0.064 -13.805 -10.928 324 H GLN 42 H GLN 42 -2.577 -10.870 -11.631 325 HA GLN 42 HA GLN 42 -4.727 -10.147 -13.585 326 HB2 GLN 42 1HB GLN 42 -4.815 -10.470 -10.574 327 HB3 GLN 42 2HB GLN 42 -6.166 -9.930 -11.560 328 HG2 GLN 42 1HG GLN 42 -4.800 -12.649 -11.786 329 HG3 GLN 42 2HG GLN 42 -6.286 -12.330 -10.917 330 HE21 GLN 42 1HE2 GLN 42 -6.313 -14.288 -12.866 331 HE22 GLN 42 2HE2 GLN 42 -7.244 -13.704 -14.239 332 H CYS 43 H CYS 43 -2.416 -8.629 -11.264 333 HA CYS 43 HA CYS 43 -3.250 -6.027 -12.403 334 HB2 CYS 43 1HB CYS 43 -3.478 -4.997 -10.244 335 HB3 CYS 43 2HB CYS 43 -4.592 -6.348 -10.376 336 H SER 44 H SER 44 -1.688 -4.286 -11.168 337 HA SER 44 HA SER 44 0.941 -4.858 -12.253 338 HB2 SER 44 1HB SER 44 1.435 -2.522 -11.556 339 HB3 SER 44 2HB SER 44 -0.015 -2.673 -12.560 340 HG SER 44 HG SER 44 -0.354 -1.318 -10.720 341 H TYR 45 H TYR 45 -0.292 -5.853 -9.378 342 HA TYR 45 HA TYR 45 1.665 -5.211 -7.442 343 HB2 TYR 45 1HB TYR 45 -0.605 -6.075 -7.033 344 HB3 TYR 45 2HB TYR 45 -0.169 -7.622 -7.746 345 HD1 TYR 45 2HD TYR 45 0.305 -5.266 -4.922 346 HD2 TYR 45 1HD TYR 45 1.167 -9.243 -6.363 347 HE1 TYR 45 2HE TYR 45 1.044 -5.936 -2.641 348 HE2 TYR 45 1HE TYR 45 1.893 -9.913 -4.076 349 HH TYR 45 HH TYR 45 2.220 -9.214 -1.864 350 H ALA 46 H ALA 46 3.437 -6.231 -6.691 351 HA ALA 46 HA ALA 46 4.255 -8.840 -7.691 352 HB1 ALA 46 1HB ALA 46 6.130 -6.454 -7.975 353 HB2 ALA 46 2HB ALA 46 6.543 -8.157 -8.285 354 HB3 ALA 46 3HB ALA 46 5.355 -7.336 -9.311 355 H SER 47 H SER 47 5.671 -9.959 -6.315 356 HA SER 47 HA SER 47 6.260 -8.734 -3.647 357 HB2 SER 47 1HB SER 47 4.189 -10.120 -3.626 358 HB3 SER 47 2HB SER 47 5.166 -11.532 -4.085 359 HG SER 47 HG SER 47 4.715 -10.738 -1.710 360 H ALA 48 H ALA 48 7.790 -9.902 -2.355 361 HA ALA 48 HA ALA 48 10.022 -11.138 -3.884 362 HB1 ALA 48 1HB ALA 48 10.539 -9.220 -2.425 363 HB2 ALA 48 2HB ALA 48 9.885 -10.108 -1.025 364 HB3 ALA 48 3HB ALA 48 11.334 -10.704 -1.866 365 H ILE 49 H ILE 49 7.256 -12.208 -2.271 366 HA ILE 49 HA ILE 49 8.517 -14.849 -1.651 367 HB ILE 49 HB ILE 49 6.368 -13.549 0.048 368 HG12 ILE 49 1HG1 ILE 49 9.366 -13.651 0.564 369 HG13 ILE 49 2HG1 ILE 49 8.379 -12.206 0.309 370 HG21 ILE 49 1HG2 ILE 49 6.834 -15.383 1.605 371 HG22 ILE 49 2HG2 ILE 49 6.464 -16.061 0.037 372 HG23 ILE 49 3HG2 ILE 49 8.154 -15.969 0.570 373 HD11 ILE 49 3HD1 ILE 49 8.816 -12.352 2.637 374 HD12 ILE 49 1HD1 ILE 49 7.100 -12.743 2.396 375 HD13 ILE 49 2HD1 ILE 49 8.285 -14.037 2.720 376 H LYS 50 H LYS 50 7.551 -16.534 -2.576 377 HA LYS 50 HA LYS 50 5.328 -16.239 -4.361 378 HB2 LYS 50 1HB LYS 50 7.269 -17.914 -4.441 379 HB3 LYS 50 2HB LYS 50 6.393 -18.865 -3.240 380 HG2 LYS 50 1HG LYS 50 4.459 -19.030 -4.811 381 HG3 LYS 50 2HG LYS 50 5.335 -18.033 -5.987 382 HD2 LYS 50 1HD LYS 50 7.121 -19.759 -6.112 383 HD3 LYS 50 2HD LYS 50 6.233 -20.757 -4.940 384 HE2 LYS 50 1HE LYS 50 4.293 -20.848 -6.499 385 HE3 LYS 50 2HE LYS 50 5.183 -19.861 -7.666 386 HZ1 LYS 50 3HZ LYS 50 6.840 -21.648 -7.811 387 HZ2 LYS 50 1HZ LYS 50 5.363 -22.227 -8.188 388 HZ3 LYS 50 2HZ LYS 50 6.016 -22.560 -6.733 389 H ALA 51 H ALA 51 5.496 -17.563 -1.061 390 HA ALA 51 HA ALA 51 2.769 -18.376 -0.844 391 HB1 ALA 51 1HB ALA 51 4.575 -19.105 0.675 392 HB2 ALA 51 2HB ALA 51 4.720 -17.449 1.313 393 HB3 ALA 51 3HB ALA 51 3.230 -18.378 1.573 394 H ASN 52 H ASN 52 4.257 -15.149 -0.451 395 HA ASN 52 HA ASN 52 1.846 -13.902 0.608 396 HB2 ASN 52 1HB ASN 52 4.025 -12.895 1.015 397 HB3 ASN 52 2HB ASN 52 4.336 -12.773 -0.722 398 HD21 ASN 52 1HD2 ASN 52 2.270 -11.483 1.907 399 HD22 ASN 52 2HD2 ASN 52 1.855 -10.031 1.009 400 H LEU 53 H LEU 53 3.232 -14.245 -2.731 401 HA LEU 53 HA LEU 53 1.070 -12.938 -4.032 402 HB2 LEU 53 1HB LEU 53 3.172 -13.394 -5.155 403 HB3 LEU 53 2HB LEU 53 2.925 -15.134 -5.003 404 HG LEU 53 HG LEU 53 0.974 -15.032 -6.507 405 HD11 LEU 53 1HD1 LEU 53 0.158 -12.740 -6.069 406 HD12 LEU 53 2HD1 LEU 53 0.475 -12.981 -7.779 407 HD13 LEU 53 3HD1 LEU 53 1.639 -12.065 -6.791 408 HD21 LEU 53 3HD2 LEU 53 3.278 -15.333 -7.417 409 HD22 LEU 53 1HD2 LEU 53 3.342 -13.577 -7.716 410 HD23 LEU 53 2HD2 LEU 53 2.152 -14.580 -8.563 411 H ASN 54 H ASN 54 1.400 -16.352 -2.990 412 HA ASN 54 HA ASN 54 -0.997 -17.356 -4.092 413 HB2 ASN 54 1HB ASN 54 0.979 -18.553 -2.951 414 HB3 ASN 54 2HB ASN 54 0.207 -18.162 -1.415 415 HD21 ASN 54 1HD2 ASN 54 0.258 -20.538 -1.142 416 HD22 ASN 54 2HD2 ASN 54 -1.002 -21.490 -1.905 417 H VAL 55 H VAL 55 -0.570 -15.422 -1.133 418 HA VAL 55 HA VAL 55 -3.437 -15.569 -0.420 419 HB VAL 55 HB VAL 55 -1.152 -13.978 0.770 420 HG11 VAL 55 1HG1 VAL 55 -4.010 -14.342 1.770 421 HG12 VAL 55 2HG1 VAL 55 -2.677 -13.650 2.718 422 HG13 VAL 55 3HG1 VAL 55 -3.249 -12.811 1.278 423 HG21 VAL 55 3HG2 VAL 55 -1.329 -15.604 2.621 424 HG22 VAL 55 1HG2 VAL 55 -2.606 -16.476 1.743 425 HG23 VAL 55 2HG2 VAL 55 -0.950 -16.424 1.106 426 H HIS 56 H HIS 56 -1.280 -13.270 -2.087 427 HA HIS 56 HA HIS 56 -3.231 -11.167 -2.352 428 HB2 HIS 56 1HB HIS 56 -0.849 -10.798 -2.737 429 HB3 HIS 56 2HB HIS 56 -0.858 -11.945 -4.078 430 HD1 HIS 56 1HD HIS 56 -2.166 -8.423 -3.245 431 HD2 HIS 56 2HD HIS 56 -1.754 -11.139 -6.426 432 HE1 HIS 56 1HE HIS 56 -2.897 -7.168 -5.320 433 H LEU 57 H LEU 57 -2.595 -14.033 -4.429 434 HA LEU 57 HA LEU 57 -4.541 -13.460 -6.449 435 HB2 LEU 57 1HB LEU 57 -3.418 -16.007 -5.298 436 HB3 LEU 57 2HB LEU 57 -4.501 -16.018 -6.685 437 HG LEU 57 HG LEU 57 -1.863 -14.482 -6.679 438 HD11 LEU 57 1HD1 LEU 57 -0.950 -16.395 -7.915 439 HD12 LEU 57 2HD1 LEU 57 -2.486 -17.276 -7.706 440 HD13 LEU 57 3HD1 LEU 57 -1.482 -16.879 -6.294 441 HD21 LEU 57 3HD2 LEU 57 -3.769 -15.368 -8.884 442 HD22 LEU 57 1HD2 LEU 57 -2.138 -14.726 -9.145 443 HD23 LEU 57 2HD2 LEU 57 -3.371 -13.695 -8.408 444 H ARG 58 H ARG 58 -4.937 -14.877 -3.232 445 HA ARG 58 HA ARG 58 -7.728 -15.584 -3.517 446 HB2 ARG 58 1HB ARG 58 -6.015 -15.049 -1.071 447 HB3 ARG 58 2HB ARG 58 -7.711 -15.509 -0.971 448 HG2 ARG 58 1HG ARG 58 -7.349 -17.608 -2.024 449 HG3 ARG 58 2HG ARG 58 -5.714 -17.175 -2.540 450 HD2 ARG 58 1HD ARG 58 -4.884 -17.216 -0.261 451 HD3 ARG 58 2HD ARG 58 -6.522 -17.328 0.386 452 HE ARG 58 HE ARG 58 -6.462 -19.597 0.130 453 HH11 ARG 58 2HH1 ARG 58 -4.025 -18.361 -2.089 454 HH12 ARG 58 1HH1 ARG 58 -3.523 -19.946 -2.569 455 HH21 ARG 58 2HH2 ARG 58 -5.770 -21.602 -0.529 456 HH22 ARG 58 1HH2 ARG 58 -4.508 -21.738 -1.718 457 H LYS 59 H LYS 59 -6.362 -12.457 -3.455 458 HA LYS 59 HA LYS 59 -8.870 -11.124 -2.603 459 HB2 LYS 59 1HB LYS 59 -6.427 -9.900 -3.947 460 HB3 LYS 59 2HB LYS 59 -7.745 -9.056 -3.143 461 HG2 LYS 59 1HG LYS 59 -7.104 -10.116 -0.979 462 HG3 LYS 59 2HG LYS 59 -5.719 -10.888 -1.783 463 HD2 LYS 59 1HD LYS 59 -4.837 -8.671 -2.425 464 HD3 LYS 59 2HD LYS 59 -6.172 -7.877 -1.581 465 HE2 LYS 59 1HE LYS 59 -4.131 -9.742 -0.271 466 HE3 LYS 59 2HE LYS 59 -3.999 -7.981 -0.298 467 HZ1 LYS 59 3HZ LYS 59 -4.994 -8.719 1.768 468 HZ2 LYS 59 1HZ LYS 59 -6.204 -9.494 0.998 469 HZ3 LYS 59 2HZ LYS 59 -6.100 -7.862 0.933 470 H HIS 60 H HIS 60 -7.575 -12.462 -5.505 471 HA HIS 60 HA HIS 60 -9.343 -10.898 -7.289 472 HB2 HIS 60 1HB HIS 60 -7.076 -12.840 -7.859 473 HB3 HIS 60 2HB HIS 60 -8.038 -12.034 -9.090 474 HD1 HIS 60 1HD HIS 60 -8.039 -9.155 -8.686 475 HD2 HIS 60 2HD HIS 60 -4.819 -11.577 -7.462 476 HE1 HIS 60 1HE HIS 60 -6.037 -7.608 -8.556 477 H THR 61 H THR 61 -10.228 -13.249 -5.389 478 HA THR 61 HA THR 61 -11.312 -15.269 -7.167 479 HB THR 61 HB THR 61 -12.640 -15.917 -5.131 480 HG1 THR 61 1HG THR 61 -12.084 -14.828 -3.213 481 HG21 THR 61 3HG2 THR 61 -10.696 -16.627 -3.787 482 HG22 THR 61 1HG2 THR 61 -9.652 -15.505 -4.690 483 HG23 THR 61 2HG2 THR 61 -10.408 -16.880 -5.518 484 H GLY 62 H GLY 62 -12.292 -12.075 -6.594 485 HA2 GLY 62 1HA GLY 62 -14.691 -12.404 -8.229 486 HA3 GLY 62 2HA GLY 62 -15.008 -11.842 -6.583 487 H GLU 63 H GLU 63 -15.855 -10.034 -8.075 488 HA GLU 63 HA GLU 63 -13.769 -7.917 -8.358 489 HB2 GLU 63 1HB GLU 63 -14.321 -8.858 -10.573 490 HB3 GLU 63 2HB GLU 63 -16.030 -8.480 -10.316 491 HG2 GLU 63 1HG GLU 63 -15.520 -6.078 -10.237 492 HG3 GLU 63 2HG GLU 63 -13.788 -6.413 -10.309 493 H LYS 64 H LYS 64 -14.308 -5.946 -7.565 494 HA LYS 64 HA LYS 64 -16.720 -5.808 -5.895 495 HB2 LYS 64 1HB LYS 64 -14.193 -4.144 -6.096 496 HB3 LYS 64 2HB LYS 64 -15.617 -3.547 -5.238 497 HG2 LYS 64 1HG LYS 64 -15.647 -5.587 -3.830 498 HG3 LYS 64 2HG LYS 64 -14.135 -6.131 -4.592 499 HD2 LYS 64 1HD LYS 64 -12.927 -4.219 -3.710 500 HD3 LYS 64 2HD LYS 64 -14.431 -3.433 -3.214 501 HE2 LYS 64 1HE LYS 64 -14.833 -5.513 -1.722 502 HE3 LYS 64 2HE LYS 64 -13.127 -5.895 -2.001 503 HZ1 LYS 64 3HZ LYS 64 -12.599 -3.671 -1.077 504 HZ2 LYS 64 1HZ LYS 64 -13.432 -4.562 0.014 505 HZ3 LYS 64 2HZ LYS 64 -14.197 -3.380 -0.821 506 H PHE 65 H PHE 65 -18.223 -4.353 -5.841 507 HA PHE 65 HA PHE 65 -18.577 -2.345 -8.025 508 HB2 PHE 65 1HB PHE 65 -20.724 -3.799 -6.421 509 HB3 PHE 65 2HB PHE 65 -20.985 -2.591 -7.670 510 HD1 PHE 65 1HD PHE 65 -19.872 -6.086 -7.050 511 HD2 PHE 65 2HD PHE 65 -20.938 -3.146 -10.019 512 HE1 PHE 65 1HE PHE 65 -20.016 -7.874 -8.768 513 HE2 PHE 65 2HE PHE 65 -21.097 -4.939 -11.731 514 HZ PHE 65 HZ PHE 65 -20.655 -7.302 -11.106 515 H ALA 66 H ALA 66 -19.103 -0.239 -7.288 516 HA ALA 66 HA ALA 66 -18.693 0.216 -4.360 517 HB1 ALA 66 1HB ALA 66 -16.684 0.651 -5.743 518 HB2 ALA 66 2HB ALA 66 -17.612 1.824 -6.703 519 HB3 ALA 66 3HB ALA 66 -17.312 2.125 -4.977 520 H CYS 67 H CYS 67 -19.750 1.785 -3.308 521 HA CYS 67 HA CYS 67 -22.287 2.706 -4.277 522 HB2 CYS 67 1HB CYS 67 -21.711 2.069 -1.967 523 HB3 CYS 67 2HB CYS 67 -20.655 3.485 -1.836 524 H ASP 68 H ASP 68 -23.004 4.673 -4.830 525 HA ASP 68 HA ASP 68 -21.055 6.630 -5.915 526 HB2 ASP 68 1HB ASP 68 -22.981 5.732 -7.270 527 HB3 ASP 68 2HB ASP 68 -24.081 6.553 -6.164 528 H TYR 69 H TYR 69 -22.738 6.144 -3.037 529 HA TYR 69 HA TYR 69 -23.039 9.061 -2.423 530 HB2 TYR 69 1HB TYR 69 -24.539 6.674 -1.347 531 HB3 TYR 69 2HB TYR 69 -24.860 8.357 -0.957 532 HD1 TYR 69 1HD TYR 69 -25.798 9.889 -2.726 533 HD2 TYR 69 2HD TYR 69 -25.390 5.637 -3.328 534 HE1 TYR 69 1HE TYR 69 -27.415 10.002 -4.612 535 HE2 TYR 69 2HE TYR 69 -27.007 5.754 -5.224 536 HH TYR 69 HH TYR 69 -28.547 8.829 -6.230 537 H CYS 70 H CYS 70 -21.435 6.140 -1.364 538 HA CYS 70 HA CYS 70 -20.028 7.641 0.705 539 HB2 CYS 70 1HB CYS 70 -20.452 6.195 2.534 540 HB3 CYS 70 2HB CYS 70 -21.996 6.734 1.903 541 H SER 71 H SER 71 -18.587 5.654 1.881 542 HA SER 71 HA SER 71 -16.711 4.875 -0.224 543 HB2 SER 71 1HB SER 71 -16.556 4.465 2.781 544 HB3 SER 71 2HB SER 71 -15.229 4.278 1.619 545 HG SER 71 HG SER 71 -15.196 6.331 2.653 546 H PHE 72 H PHE 72 -19.428 3.265 0.809 547 HA PHE 72 HA PHE 72 -18.520 0.664 1.466 548 HB2 PHE 72 1HB PHE 72 -20.764 1.458 1.921 549 HB3 PHE 72 2HB PHE 72 -21.090 1.638 0.206 550 HD1 PHE 72 1HD PHE 72 -20.692 -0.815 2.958 551 HD2 PHE 72 2HD PHE 72 -21.692 -0.247 -1.197 552 HE1 PHE 72 1HE PHE 72 -21.659 -3.102 2.874 553 HE2 PHE 72 2HE PHE 72 -22.659 -2.533 -1.278 554 HZ PHE 72 HZ PHE 72 -22.647 -3.961 0.761 555 H THR 73 H THR 73 -18.206 -1.213 0.389 556 HA THR 73 HA THR 73 -18.636 -1.397 -2.514 557 HB THR 73 HB THR 73 -16.527 -2.632 -2.869 558 HG1 THR 73 1HG THR 73 -15.825 -1.568 -0.336 559 HG21 THR 73 3HG2 THR 73 -14.989 -0.748 -2.982 560 HG22 THR 73 1HG2 THR 73 -16.017 0.207 -1.890 561 HG23 THR 73 2HG2 THR 73 -16.607 -0.255 -3.501 562 H CYS 74 H CYS 74 -19.015 -3.499 -3.282 563 HA CYS 74 HA CYS 74 -18.874 -5.764 -1.405 564 HB2 CYS 74 1HB CYS 74 -21.176 -4.621 -1.187 565 HB3 CYS 74 2HB CYS 74 -21.507 -5.208 -2.829 566 HG CYS 74 HG CYS 74 -20.668 -6.861 -0.057 567 H LEU 75 H LEU 75 -19.340 -7.860 -2.530 568 HA LEU 75 HA LEU 75 -18.020 -7.872 -5.168 569 HB2 LEU 75 1HB LEU 75 -18.722 -10.098 -3.225 570 HB3 LEU 75 2HB LEU 75 -17.869 -10.340 -4.746 571 HG LEU 75 HG LEU 75 -16.823 -8.641 -2.441 572 HD11 LEU 75 1HD1 LEU 75 -16.006 -11.413 -3.408 573 HD12 LEU 75 2HD1 LEU 75 -16.888 -11.048 -1.907 574 HD13 LEU 75 3HD1 LEU 75 -15.226 -10.477 -2.112 575 HD21 LEU 75 3HD2 LEU 75 -14.679 -8.714 -3.684 576 HD22 LEU 75 1HD2 LEU 75 -15.927 -7.882 -4.614 577 HD23 LEU 75 2HD2 LEU 75 -15.485 -9.549 -5.031 578 H SER 76 H SER 76 -21.176 -7.458 -4.466 579 HA SER 76 HA SER 76 -21.846 -8.468 -7.147 580 HB2 SER 76 1HB SER 76 -23.827 -9.573 -6.610 581 HB3 SER 76 2HB SER 76 -22.630 -10.199 -5.468 582 HG SER 76 HG SER 76 -24.495 -9.735 -4.352 583 H LYS 77 H LYS 77 -23.340 -7.331 -8.275 584 HA LYS 77 HA LYS 77 -23.856 -4.596 -7.530 585 HB2 LYS 77 1HB LYS 77 -23.528 -5.410 -9.855 586 HB3 LYS 77 2HB LYS 77 -25.027 -6.325 -9.754 587 HG2 LYS 77 1HG LYS 77 -25.319 -4.290 -11.029 588 HG3 LYS 77 2HG LYS 77 -26.326 -4.245 -9.582 589 HD2 LYS 77 1HD LYS 77 -24.705 -2.750 -8.468 590 HD3 LYS 77 2HD LYS 77 -23.629 -2.824 -9.869 591 HE2 LYS 77 1HE LYS 77 -26.491 -1.749 -9.891 592 HE3 LYS 77 2HE LYS 77 -25.053 -0.747 -9.686 593 HZ1 LYS 77 3HZ LYS 77 -25.651 -2.375 -12.100 594 HZ2 LYS 77 1HZ LYS 77 -24.299 -1.474 -11.890 595 HZ3 LYS 77 2HZ LYS 77 -25.758 -0.754 -11.991 596 H GLY 78 H GLY 78 -25.748 -7.557 -7.217 597 HA2 GLY 78 1HA GLY 78 -28.298 -6.418 -6.594 598 HA3 GLY 78 2HA GLY 78 -27.716 -8.015 -6.104 599 H HIS 79 H HIS 79 -25.590 -7.440 -4.388 600 HA HIS 79 HA HIS 79 -26.934 -6.537 -2.005 601 HB2 HIS 79 1HB HIS 79 -25.060 -8.214 -2.184 602 HB3 HIS 79 2HB HIS 79 -23.953 -6.869 -2.439 603 HD1 HIS 79 1HD HIS 79 -25.400 -5.010 -0.056 604 HD2 HIS 79 2HD HIS 79 -24.098 -9.002 0.123 605 HE1 HIS 79 1HE HIS 79 -24.965 -5.508 2.413 606 H LEU 80 H LEU 80 -24.737 -4.888 -4.312 607 HA LEU 80 HA LEU 80 -24.527 -2.462 -2.795 608 HB2 LEU 80 1HB LEU 80 -22.979 -3.028 -4.619 609 HB3 LEU 80 2HB LEU 80 -24.302 -2.960 -5.787 610 HG LEU 80 HG LEU 80 -24.617 -0.537 -5.307 611 HD11 LEU 80 1HD1 LEU 80 -23.762 -0.415 -2.989 612 HD12 LEU 80 2HD1 LEU 80 -22.877 0.672 -4.041 613 HD13 LEU 80 3HD1 LEU 80 -22.134 -0.867 -3.560 614 HD21 LEU 80 3HD2 LEU 80 -21.745 -1.200 -5.979 615 HD22 LEU 80 1HD2 LEU 80 -22.657 0.250 -6.448 616 HD23 LEU 80 2HD2 LEU 80 -23.106 -1.322 -7.122 617 H LYS 81 H LYS 81 -26.899 -3.481 -5.309 618 HA LYS 81 HA LYS 81 -28.441 -1.078 -5.320 619 HB2 LYS 81 1HB LYS 81 -28.609 -2.906 -6.985 620 HB3 LYS 81 2HB LYS 81 -29.362 -3.953 -5.776 621 HG2 LYS 81 1HG LYS 81 -31.275 -2.405 -5.594 622 HG3 LYS 81 2HG LYS 81 -30.498 -1.286 -6.734 623 HD2 LYS 81 1HD LYS 81 -30.546 -3.041 -8.486 624 HD3 LYS 81 2HD LYS 81 -31.344 -4.157 -7.374 625 HE2 LYS 81 1HE LYS 81 -32.478 -1.452 -8.232 626 HE3 LYS 81 2HE LYS 81 -32.845 -2.975 -9.043 627 HZ1 LYS 81 3HZ LYS 81 -33.790 -3.802 -6.958 628 HZ2 LYS 81 1HZ LYS 81 -34.554 -2.442 -7.430 629 HZ3 LYS 81 2HZ LYS 81 -33.481 -2.383 -6.203 630 H VAL 82 H VAL 82 -28.777 -3.984 -3.233 631 HA VAL 82 HA VAL 82 -30.915 -2.936 -1.621 632 HB VAL 82 HB VAL 82 -28.753 -4.974 -0.957 633 HG11 VAL 82 1HG1 VAL 82 -30.277 -5.714 0.872 634 HG12 VAL 82 2HG1 VAL 82 -29.627 -4.103 1.170 635 HG13 VAL 82 3HG1 VAL 82 -31.298 -4.286 0.586 636 HG21 VAL 82 3HG2 VAL 82 -30.553 -6.607 -1.337 637 HG22 VAL 82 1HG2 VAL 82 -31.702 -5.297 -1.691 638 HG23 VAL 82 2HG2 VAL 82 -30.343 -5.616 -2.783 639 H HIS 83 H HIS 83 -27.326 -2.658 -1.134 640 HA HIS 83 HA HIS 83 -27.439 -1.117 1.244 641 HB2 HIS 83 1HB HIS 83 -25.340 -1.983 0.505 642 HB3 HIS 83 2HB HIS 83 -25.456 -1.176 -1.052 643 HD1 HIS 83 1HD HIS 83 -24.674 -0.336 2.612 644 HD2 HIS 83 2HD HIS 83 -24.690 1.356 -1.232 645 HE1 HIS 83 1HE HIS 83 -23.532 1.919 2.844 646 H ILE 84 H ILE 84 -27.503 0.083 -2.166 647 HA ILE 84 HA ILE 84 -27.712 2.841 -1.413 648 HB ILE 84 HB ILE 84 -28.356 1.385 -3.990 649 HG12 ILE 84 1HG1 ILE 84 -26.040 3.226 -3.201 650 HG13 ILE 84 2HG1 ILE 84 -25.956 1.473 -3.164 651 HG21 ILE 84 1HG2 ILE 84 -28.309 4.393 -3.450 652 HG22 ILE 84 2HG2 ILE 84 -28.372 3.650 -5.065 653 HG23 ILE 84 3HG2 ILE 84 -29.710 3.417 -3.966 654 HD11 ILE 84 3HD1 ILE 84 -24.888 2.197 -5.161 655 HD12 ILE 84 1HD1 ILE 84 -26.409 1.409 -5.624 656 HD13 ILE 84 2HD1 ILE 84 -26.269 3.186 -5.647 657 H GLU 85 H GLU 85 -30.297 0.493 -2.246 658 HA GLU 85 HA GLU 85 -32.412 2.413 -1.887 659 HB2 GLU 85 1HB GLU 85 -32.361 -0.634 -1.930 660 HB3 GLU 85 2HB GLU 85 -33.845 0.297 -1.860 661 HG2 GLU 85 1HG GLU 85 -31.800 0.427 -4.119 662 HG3 GLU 85 2HG GLU 85 -33.320 -0.453 -4.151 663 H ARG 86 H ARG 86 -30.768 0.363 0.482 664 HA ARG 86 HA ARG 86 -32.824 0.967 2.553 665 HB2 ARG 86 1HB ARG 86 -30.318 -0.756 2.614 666 HB3 ARG 86 2HB ARG 86 -31.408 -0.544 3.970 667 HG2 ARG 86 1HG ARG 86 -32.177 -1.779 1.287 668 HG3 ARG 86 2HG ARG 86 -31.795 -2.669 2.753 669 HD2 ARG 86 1HD ARG 86 -34.145 -0.769 2.377 670 HD3 ARG 86 2HD ARG 86 -34.206 -2.535 2.331 671 HE ARG 86 HE ARG 86 -33.056 -1.870 4.808 672 HH11 ARG 86 2HH1 ARG 86 -36.183 -1.424 3.292 673 HH12 ARG 86 1HH1 ARG 86 -37.021 -1.403 4.821 674 HH21 ARG 86 2HH2 ARG 86 -34.182 -1.811 6.720 675 HH22 ARG 86 1HH2 ARG 86 -35.909 -1.612 6.706 676 H VAL 87 H VAL 87 -29.475 1.907 1.853 677 HA VAL 87 HA VAL 87 -29.337 3.379 4.430 678 HB VAL 87 HB VAL 87 -27.160 2.904 2.367 679 HG11 VAL 87 1HG1 VAL 87 -25.626 3.490 4.223 680 HG12 VAL 87 2HG1 VAL 87 -26.641 4.851 3.753 681 HG13 VAL 87 3HG1 VAL 87 -27.023 3.935 5.229 682 HG21 VAL 87 3HG2 VAL 87 -26.314 1.243 4.031 683 HG22 VAL 87 1HG2 VAL 87 -27.779 1.484 5.004 684 HG23 VAL 87 2HG2 VAL 87 -27.882 0.765 3.382 685 H HIS 88 H HIS 88 -29.272 4.110 0.919 686 HA HIS 88 HA HIS 88 -28.961 6.999 1.593 687 HB2 HIS 88 1HB HIS 88 -28.415 5.523 -0.991 688 HB3 HIS 88 2HB HIS 88 -28.147 7.241 -0.695 689 HD1 HIS 88 1HD HIS 88 -26.391 7.645 1.604 690 HD2 HIS 88 2HD HIS 88 -26.298 4.066 -0.585 691 HE1 HIS 88 1HE HIS 88 -24.144 6.576 2.118 692 H LYS 89 H LYS 89 -31.309 4.825 0.139 693 HA LYS 89 HA LYS 89 -33.058 7.140 -0.541 694 HB2 LYS 89 1HB LYS 89 -33.260 4.214 -1.203 695 HB3 LYS 89 2HB LYS 89 -34.659 5.264 -1.249 696 HG2 LYS 89 1HG LYS 89 -33.877 5.188 -3.440 697 HG3 LYS 89 2HG LYS 89 -33.471 6.793 -2.837 698 HD2 LYS 89 1HD LYS 89 -31.114 6.085 -2.514 699 HD3 LYS 89 2HD LYS 89 -31.529 4.451 -3.035 700 HE2 LYS 89 1HE LYS 89 -31.634 6.994 -4.722 701 HE3 LYS 89 2HE LYS 89 -30.402 5.733 -4.798 702 HZ1 LYS 89 3HZ LYS 89 -31.914 5.259 -6.535 703 HZ2 LYS 89 1HZ LYS 89 -33.236 5.491 -5.606 704 HZ3 LYS 89 2HZ LYS 89 -32.317 4.172 -5.360 705 H LYS 90 H LYS 90 -35.110 7.332 0.324 706 HA LYS 90 HA LYS 90 -35.332 6.694 3.193 707 HB2 LYS 90 1HB LYS 90 -37.138 8.282 1.319 708 HB3 LYS 90 2HB LYS 90 -37.416 8.072 3.052 709 HG2 LYS 90 1HG LYS 90 -35.229 9.144 3.547 710 HG3 LYS 90 2HG LYS 90 -34.973 9.407 1.811 711 HD2 LYS 90 1HD LYS 90 -37.015 10.823 1.717 712 HD3 LYS 90 2HD LYS 90 -37.317 10.502 3.428 713 HE2 LYS 90 1HE LYS 90 -36.339 12.670 3.295 714 HE3 LYS 90 2HE LYS 90 -35.143 11.587 4.009 715 HZ1 LYS 90 3HZ LYS 90 -34.173 13.037 2.307 716 HZ2 LYS 90 1HZ LYS 90 -35.175 12.454 1.161 717 HZ3 LYS 90 2HZ LYS 90 -34.039 11.484 1.833 718 H ILE 91 H ILE 91 -37.126 5.688 4.178 719 HA ILE 91 HA ILE 91 -38.072 3.311 2.821 720 HB ILE 91 HB ILE 91 -37.346 3.325 5.167 721 HG12 ILE 91 1HG1 ILE 91 -40.251 2.462 4.873 722 HG13 ILE 91 2HG1 ILE 91 -38.871 1.594 4.194 723 HG21 ILE 91 1HG2 ILE 91 -39.941 4.790 5.824 724 HG22 ILE 91 2HG2 ILE 91 -38.703 4.230 6.965 725 HG23 ILE 91 3HG2 ILE 91 -38.332 5.540 5.847 726 HD11 ILE 91 3HD1 ILE 91 -39.423 2.058 7.153 727 HD12 ILE 91 1HD1 ILE 91 -39.520 0.533 6.261 728 HD13 ILE 91 2HD1 ILE 91 -37.943 1.309 6.501 729 H LYS 92 H LYS 92 -40.108 2.767 2.284 730 HA LYS 92 HA LYS 92 -42.349 4.706 2.357 731 HB2 LYS 92 1HB LYS 92 -41.059 5.129 0.262 732 HB3 LYS 92 2HB LYS 92 -41.334 3.452 -0.230 733 HG2 LYS 92 1HG LYS 92 -43.794 3.853 -0.194 734 HG3 LYS 92 2HG LYS 92 -43.517 5.528 0.297 735 HD2 LYS 92 1HD LYS 92 -42.559 4.267 -2.315 736 HD3 LYS 92 2HD LYS 92 -44.016 5.254 -2.127 737 HE2 LYS 92 1HE LYS 92 -42.613 7.169 -1.357 738 HE3 LYS 92 2HE LYS 92 -41.159 6.195 -1.608 739 HZ1 LYS 92 3HZ LYS 92 -41.609 7.615 -3.521 740 HZ2 LYS 92 1HZ LYS 92 -43.086 6.957 -3.739 741 HZ3 LYS 92 2HZ LYS 92 -41.744 6.053 -3.972 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -4.012 41.472 -8.007 2 H2 GLY 1 2H GLY 1 -5.060 41.692 -9.248 3 H3 GLY 1 3H GLY 1 -3.584 41.040 -9.529 4 HA2 GLY 1 1HA GLY 1 -4.130 39.080 -8.246 5 HA3 GLY 1 2HA GLY 1 -5.723 39.790 -7.925 6 H SER 2 H SER 2 -4.709 37.317 -9.441 7 HA SER 2 HA SER 2 -6.319 37.655 -11.938 8 HB2 SER 2 1HB SER 2 -3.566 36.363 -11.764 9 HB3 SER 2 2HB SER 2 -4.618 36.393 -13.191 10 HG SER 2 HG SER 2 -3.026 38.052 -13.242 11 H SER 3 H SER 3 -7.173 35.727 -12.803 12 HA SER 3 HA SER 3 -7.991 33.783 -10.820 13 HB2 SER 3 1HB SER 3 -8.654 33.947 -13.778 14 HB3 SER 3 2HB SER 3 -9.490 32.965 -12.557 15 HG SER 3 HG SER 3 -10.565 34.958 -12.954 16 H GLY 4 H GLY 4 -5.420 33.308 -10.812 17 HA2 GLY 4 1HA GLY 4 -4.423 31.337 -12.688 18 HA3 GLY 4 2HA GLY 4 -3.703 31.785 -11.147 19 H SER 5 H SER 5 -3.534 29.232 -11.923 20 HA SER 5 HA SER 5 -5.098 27.755 -9.892 21 HB2 SER 5 1HB SER 5 -6.418 27.494 -11.944 22 HB3 SER 5 2HB SER 5 -4.979 26.942 -12.823 23 HG SER 5 HG SER 5 -6.385 25.240 -12.002 24 H SER 6 H SER 6 -4.091 25.899 -9.137 25 HA SER 6 HA SER 6 -1.197 25.661 -9.474 26 HB2 SER 6 1HB SER 6 -3.149 23.908 -7.937 27 HB3 SER 6 2HB SER 6 -1.380 23.896 -7.793 28 HG SER 6 HG SER 6 -2.385 25.157 -6.149 29 H GLY 7 H GLY 7 -3.842 24.352 -11.219 30 HA2 GLY 7 1HA GLY 7 -3.980 22.727 -12.867 31 HA3 GLY 7 2HA GLY 7 -2.219 22.617 -12.848 32 H LYS 8 H LYS 8 -1.958 20.430 -12.854 33 HA LYS 8 HA LYS 8 -2.776 18.939 -10.408 34 HB2 LYS 8 1HB LYS 8 -4.213 18.289 -12.354 35 HB3 LYS 8 2HB LYS 8 -2.766 17.733 -13.208 36 HG2 LYS 8 1HG LYS 8 -2.351 16.041 -11.476 37 HG3 LYS 8 2HG LYS 8 -3.667 16.693 -10.481 38 HD2 LYS 8 1HD LYS 8 -5.304 16.090 -12.241 39 HD3 LYS 8 2HD LYS 8 -3.991 15.422 -13.237 40 HE2 LYS 8 1HE LYS 8 -3.457 13.790 -11.452 41 HE3 LYS 8 2HE LYS 8 -4.717 14.482 -10.423 42 HZ1 LYS 8 3HZ LYS 8 -5.218 13.167 -13.043 43 HZ2 LYS 8 1HZ LYS 8 -6.368 13.799 -12.070 44 HZ3 LYS 8 2HZ LYS 8 -5.513 12.500 -11.583 45 H ILE 9 H ILE 9 -1.328 17.559 -9.567 46 HA ILE 9 HA ILE 9 1.481 17.610 -10.580 47 HB ILE 9 HB ILE 9 0.538 18.261 -7.755 48 HG12 ILE 9 1HG1 ILE 9 1.855 20.051 -9.855 49 HG13 ILE 9 2HG1 ILE 9 0.170 20.138 -9.349 50 HG21 ILE 9 1HG2 ILE 9 3.356 18.115 -8.909 51 HG22 ILE 9 2HG2 ILE 9 2.937 18.675 -7.275 52 HG23 ILE 9 3HG2 ILE 9 2.643 17.010 -7.705 53 HD11 ILE 9 3HD1 ILE 9 2.569 20.848 -7.649 54 HD12 ILE 9 1HD1 ILE 9 1.292 21.905 -8.260 55 HD13 ILE 9 2HD1 ILE 9 0.905 20.691 -7.025 56 H PHE 10 H PHE 10 2.708 15.797 -10.078 57 HA PHE 10 HA PHE 10 1.177 13.421 -9.082 58 HB2 PHE 10 1HB PHE 10 3.182 13.552 -11.361 59 HB3 PHE 10 2HB PHE 10 2.239 12.158 -10.861 60 HD1 PHE 10 1HD PHE 10 2.109 15.460 -12.536 61 HD2 PHE 10 2HD PHE 10 -0.137 11.934 -11.482 62 HE1 PHE 10 1HE PHE 10 0.276 16.180 -14.046 63 HE2 PHE 10 2HE PHE 10 -1.964 12.651 -13.001 64 HZ PHE 10 HZ PHE 10 -1.762 14.773 -14.286 65 H THR 11 H THR 11 2.152 12.222 -7.501 66 HA THR 11 HA THR 11 4.981 12.881 -6.778 67 HB THR 11 HB THR 11 2.621 12.553 -4.903 68 HG1 THR 11 1HG THR 11 2.810 14.763 -4.643 69 HG21 THR 11 3HG2 THR 11 4.158 13.531 -3.214 70 HG22 THR 11 1HG2 THR 11 5.486 13.465 -4.394 71 HG23 THR 11 2HG2 THR 11 4.735 11.966 -3.797 72 H CYS 12 H CYS 12 6.296 11.289 -6.149 73 HA CYS 12 HA CYS 12 5.578 8.502 -6.497 74 HB2 CYS 12 1HB CYS 12 7.739 9.414 -7.127 75 HB3 CYS 12 2HB CYS 12 8.060 9.898 -5.447 76 H GLU 13 H GLU 13 4.933 7.057 -5.046 77 HA GLU 13 HA GLU 13 4.434 7.875 -2.263 78 HB2 GLU 13 1HB GLU 13 3.140 5.880 -2.060 79 HB3 GLU 13 2HB GLU 13 2.706 6.708 -3.553 80 HG2 GLU 13 1HG GLU 13 4.141 5.101 -4.835 81 HG3 GLU 13 2HG GLU 13 4.511 4.259 -3.325 82 H TYR 14 H TYR 14 7.092 6.524 -3.812 83 HA TYR 14 HA TYR 14 7.918 4.870 -1.462 84 HB2 TYR 14 1HB TYR 14 8.967 4.979 -4.290 85 HB3 TYR 14 2HB TYR 14 9.557 3.915 -3.028 86 HD1 TYR 14 2HD TYR 14 8.110 2.066 -2.144 87 HD2 TYR 14 1HD TYR 14 6.982 4.453 -5.555 88 HE1 TYR 14 2HE TYR 14 6.489 0.304 -2.846 89 HE2 TYR 14 1HE TYR 14 5.365 2.689 -6.255 90 HH TYR 14 HH TYR 14 4.451 0.645 -5.773 91 H CYS 15 H CYS 15 8.968 7.695 -3.370 92 HA CYS 15 HA CYS 15 11.014 8.234 -1.286 93 HB2 CYS 15 1HB CYS 15 12.674 8.856 -2.864 94 HB3 CYS 15 2HB CYS 15 12.168 7.191 -3.138 95 H ASN 16 H ASN 16 8.262 9.414 -2.412 96 HA ASN 16 HA ASN 16 7.187 11.361 -2.362 97 HB2 ASN 16 1HB ASN 16 8.048 11.078 -0.020 98 HB3 ASN 16 2HB ASN 16 9.306 12.257 -0.394 99 HD21 ASN 16 1HD2 ASN 16 5.705 11.894 -0.608 100 HD22 ASN 16 2HD2 ASN 16 5.396 13.541 -0.085 101 H LYS 17 H LYS 17 9.581 11.235 -4.322 102 HA LYS 17 HA LYS 17 10.165 13.968 -5.037 103 HB2 LYS 17 1HB LYS 17 10.106 11.354 -6.583 104 HB3 LYS 17 2HB LYS 17 10.526 12.901 -7.351 105 HG2 LYS 17 1HG LYS 17 12.422 13.201 -5.834 106 HG3 LYS 17 2HG LYS 17 11.962 11.729 -4.954 107 HD2 LYS 17 1HD LYS 17 12.184 10.466 -7.168 108 HD3 LYS 17 2HD LYS 17 12.822 11.942 -7.884 109 HE2 LYS 17 1HE LYS 17 14.570 10.354 -7.291 110 HE3 LYS 17 2HE LYS 17 14.763 11.881 -6.420 111 HZ1 LYS 17 3HZ LYS 17 13.960 10.866 -4.434 112 HZ2 LYS 17 1HZ LYS 17 15.022 9.782 -5.036 113 HZ3 LYS 17 2HZ LYS 17 13.395 9.543 -5.187 114 H VAL 18 H VAL 18 9.318 15.244 -6.592 115 HA VAL 18 HA VAL 18 6.414 14.851 -7.233 116 HB VAL 18 HB VAL 18 7.834 17.463 -6.602 117 HG11 VAL 18 1HG1 VAL 18 5.944 17.798 -8.146 118 HG12 VAL 18 2HG1 VAL 18 4.907 16.794 -7.103 119 HG13 VAL 18 3HG1 VAL 18 5.506 18.368 -6.536 120 HG21 VAL 18 3HG2 VAL 18 5.850 15.837 -4.949 121 HG22 VAL 18 1HG2 VAL 18 7.559 16.115 -4.547 122 HG23 VAL 18 2HG2 VAL 18 6.429 17.468 -4.554 123 H PHE 19 H PHE 19 5.730 15.157 -9.235 124 HA PHE 19 HA PHE 19 7.600 16.055 -11.377 125 HB2 PHE 19 1HB PHE 19 5.762 13.628 -11.423 126 HB3 PHE 19 2HB PHE 19 6.804 14.170 -12.727 127 HD1 PHE 19 1HD PHE 19 6.688 12.494 -9.438 128 HD2 PHE 19 2HD PHE 19 9.260 13.814 -12.634 129 HE1 PHE 19 1HE PHE 19 8.549 11.151 -8.495 130 HE2 PHE 19 2HE PHE 19 11.126 12.481 -11.680 131 HZ PHE 19 HZ PHE 19 10.795 11.176 -9.587 132 H LYS 20 H LYS 20 6.685 17.087 -13.126 133 HA LYS 20 HA LYS 20 4.131 18.431 -12.655 134 HB2 LYS 20 1HB LYS 20 6.122 18.601 -14.952 135 HB3 LYS 20 2HB LYS 20 4.702 19.638 -14.763 136 HG2 LYS 20 1HG LYS 20 5.576 20.384 -12.531 137 HG3 LYS 20 2HG LYS 20 7.066 19.485 -12.838 138 HD2 LYS 20 1HD LYS 20 5.982 21.770 -14.547 139 HD3 LYS 20 2HD LYS 20 7.270 21.901 -13.341 140 HE2 LYS 20 1HE LYS 20 8.642 20.267 -14.635 141 HE3 LYS 20 2HE LYS 20 7.374 20.189 -15.866 142 HZ1 LYS 20 3HZ LYS 20 9.110 21.766 -16.487 143 HZ2 LYS 20 1HZ LYS 20 8.884 22.641 -15.131 144 HZ3 LYS 20 2HZ LYS 20 7.710 22.574 -16.264 145 H PHE 21 H PHE 21 4.958 15.587 -14.380 146 HA PHE 21 HA PHE 21 2.261 15.477 -15.637 147 HB2 PHE 21 1HB PHE 21 4.854 14.738 -17.043 148 HB3 PHE 21 2HB PHE 21 3.229 14.599 -17.691 149 HD1 PHE 21 2HD PHE 21 1.843 16.766 -18.012 150 HD2 PHE 21 1HD PHE 21 6.101 16.749 -17.323 151 HE1 PHE 21 2HE PHE 21 2.000 19.078 -18.909 152 HE2 PHE 21 1HE PHE 21 6.253 19.061 -18.222 153 HZ PHE 21 HZ PHE 21 4.204 20.229 -19.010 154 H LYS 22 H LYS 22 1.378 13.422 -15.851 155 HA LYS 22 HA LYS 22 2.189 11.490 -13.925 156 HB2 LYS 22 1HB LYS 22 -0.146 11.908 -14.917 157 HB3 LYS 22 2HB LYS 22 0.364 10.925 -16.289 158 HG2 LYS 22 1HG LYS 22 0.765 9.005 -14.803 159 HG3 LYS 22 2HG LYS 22 0.494 9.996 -13.374 160 HD2 LYS 22 1HD LYS 22 -1.422 8.545 -13.862 161 HD3 LYS 22 2HD LYS 22 -1.867 10.258 -13.927 162 HE2 LYS 22 1HE LYS 22 -1.790 10.248 -16.361 163 HE3 LYS 22 2HE LYS 22 -1.162 8.591 -16.380 164 HZ1 LYS 22 3HZ LYS 22 -3.556 8.641 -16.804 165 HZ2 LYS 22 1HZ LYS 22 -3.851 9.384 -15.383 166 HZ3 LYS 22 2HZ LYS 22 -3.273 7.855 -15.404 167 H HIS 23 H HIS 23 2.835 11.593 -17.441 168 HA HIS 23 HA HIS 23 3.927 8.967 -17.618 169 HB2 HIS 23 1HB HIS 23 4.960 9.742 -19.711 170 HB3 HIS 23 2HB HIS 23 3.249 10.104 -19.588 171 HD1 HIS 23 1HD HIS 23 2.599 12.568 -20.133 172 HD2 HIS 23 2HD HIS 23 6.681 11.975 -19.288 173 HE1 HIS 23 1HE HIS 23 3.763 14.779 -20.637 174 H SER 24 H SER 24 5.481 12.017 -16.602 175 HA SER 24 HA SER 24 8.163 10.984 -16.442 176 HB2 SER 24 1HB SER 24 6.858 13.219 -14.846 177 HB3 SER 24 2HB SER 24 8.598 12.906 -15.000 178 HG SER 24 HG SER 24 7.972 14.487 -16.492 179 H LEU 25 H LEU 25 5.469 11.116 -14.058 180 HA LEU 25 HA LEU 25 6.973 9.832 -11.960 181 HB2 LEU 25 1HB LEU 25 5.000 11.156 -11.447 182 HB3 LEU 25 2HB LEU 25 3.980 10.097 -12.426 183 HG LEU 25 HG LEU 25 4.413 8.212 -10.881 184 HD11 LEU 25 1HD1 LEU 25 5.875 10.253 -9.149 185 HD12 LEU 25 2HD1 LEU 25 6.642 8.885 -9.986 186 HD13 LEU 25 3HD1 LEU 25 5.471 8.580 -8.708 187 HD21 LEU 25 3HD2 LEU 25 3.460 10.703 -9.454 188 HD22 LEU 25 1HD2 LEU 25 3.110 9.027 -8.992 189 HD23 LEU 25 2HD2 LEU 25 2.470 9.671 -10.514 190 H GLN 26 H GLN 26 4.729 8.503 -14.462 191 HA GLN 26 HA GLN 26 4.797 5.796 -13.633 192 HB2 GLN 26 1HB GLN 26 4.475 7.088 -16.368 193 HB3 GLN 26 2HB GLN 26 4.353 5.348 -16.128 194 HG2 GLN 26 1HG GLN 26 2.467 5.613 -14.601 195 HG3 GLN 26 2HG GLN 26 2.605 7.365 -14.647 196 HE21 GLN 26 1HE2 GLN 26 1.744 4.489 -16.618 197 HE22 GLN 26 2HE2 GLN 26 0.852 5.415 -17.817 198 H ALA 27 H ALA 27 7.069 7.492 -15.860 199 HA ALA 27 HA ALA 27 8.709 5.149 -16.274 200 HB1 ALA 27 1HB ALA 27 9.307 8.103 -16.657 201 HB2 ALA 27 2HB ALA 27 10.239 6.738 -17.319 202 HB3 ALA 27 3HB ALA 27 8.567 7.011 -17.858 203 H HIS 28 H HIS 28 8.785 7.758 -13.828 204 HA HIS 28 HA HIS 28 11.328 7.007 -12.675 205 HB2 HIS 28 1HB HIS 28 10.462 9.196 -12.227 206 HB3 HIS 28 2HB HIS 28 8.925 8.556 -11.644 207 HD1 HIS 28 1HD HIS 28 12.645 8.444 -10.552 208 HD2 HIS 28 2HD HIS 28 8.722 7.976 -9.112 209 HE1 HIS 28 1HE HIS 28 12.869 8.024 -8.066 210 H LEU 29 H LEU 29 7.943 6.078 -11.906 211 HA LEU 29 HA LEU 29 8.439 4.616 -9.574 212 HB2 LEU 29 1HB LEU 29 6.298 4.424 -11.709 213 HB3 LEU 29 2HB LEU 29 6.270 3.362 -10.312 214 HG LEU 29 HG LEU 29 6.277 6.396 -10.063 215 HD11 LEU 29 1HD1 LEU 29 4.246 5.623 -11.228 216 HD12 LEU 29 2HD1 LEU 29 3.864 6.156 -9.584 217 HD13 LEU 29 3HD1 LEU 29 3.958 4.420 -9.951 218 HD21 LEU 29 3HD2 LEU 29 5.660 4.185 -8.070 219 HD22 LEU 29 1HD2 LEU 29 5.423 5.923 -7.786 220 HD23 LEU 29 2HD2 LEU 29 7.049 5.294 -8.020 221 H ARG 30 H ARG 30 9.146 3.563 -12.835 222 HA ARG 30 HA ARG 30 9.182 0.759 -12.596 223 HB2 ARG 30 1HB ARG 30 11.205 2.573 -13.980 224 HB3 ARG 30 2HB ARG 30 11.054 0.836 -14.252 225 HG2 ARG 30 1HG ARG 30 8.737 1.135 -15.075 226 HG3 ARG 30 2HG ARG 30 8.872 2.884 -14.854 227 HD2 ARG 30 1HD ARG 30 10.617 1.192 -16.690 228 HD3 ARG 30 2HD ARG 30 9.247 2.195 -17.203 229 HE ARG 30 HE ARG 30 10.956 3.902 -15.768 230 HH11 ARG 30 2HH1 ARG 30 11.203 2.111 -18.774 231 HH12 ARG 30 1HH1 ARG 30 12.379 3.218 -19.431 232 HH21 ARG 30 2HH2 ARG 30 12.457 5.224 -16.628 233 HH22 ARG 30 1HH2 ARG 30 13.066 4.954 -18.238 234 H ILE 31 H ILE 31 11.576 3.023 -11.215 235 HA ILE 31 HA ILE 31 13.499 0.983 -10.563 236 HB ILE 31 HB ILE 31 14.681 2.555 -9.372 237 HG12 ILE 31 1HG1 ILE 31 12.229 4.334 -9.188 238 HG13 ILE 31 2HG1 ILE 31 13.046 3.490 -7.877 239 HG21 ILE 31 1HG2 ILE 31 13.392 4.165 -11.606 240 HG22 ILE 31 2HG2 ILE 31 15.060 4.257 -11.015 241 HG23 ILE 31 3HG2 ILE 31 14.520 2.815 -11.876 242 HD11 ILE 31 3HD1 ILE 31 13.726 5.757 -7.757 243 HD12 ILE 31 1HD1 ILE 31 15.114 4.818 -8.345 244 HD13 ILE 31 2HD1 ILE 31 14.156 5.805 -9.479 245 H HIS 32 H HIS 32 10.606 2.026 -8.975 246 HA HIS 32 HA HIS 32 11.290 0.692 -6.409 247 HB2 HIS 32 1HB HIS 32 8.830 2.292 -7.185 248 HB3 HIS 32 2HB HIS 32 9.273 1.743 -5.576 249 HD1 HIS 32 1HD HIS 32 11.849 2.910 -4.769 250 HD2 HIS 32 2HD HIS 32 9.313 4.765 -7.551 251 HE1 HIS 32 1HE HIS 32 12.425 5.385 -4.686 252 H THR 33 H THR 33 8.919 0.418 -9.117 253 HA THR 33 HA THR 33 7.427 -1.685 -7.771 254 HB THR 33 HB THR 33 6.112 -1.758 -9.858 255 HG1 THR 33 1HG THR 33 6.608 -0.271 -11.477 256 HG21 THR 33 3HG2 THR 33 5.560 -0.090 -8.109 257 HG22 THR 33 1HG2 THR 33 5.185 0.502 -9.736 258 HG23 THR 33 2HG2 THR 33 6.632 1.091 -8.891 259 H ASN 34 H ASN 34 9.917 -1.701 -10.303 260 HA ASN 34 HA ASN 34 9.341 -4.459 -11.039 261 HB2 ASN 34 1HB ASN 34 10.038 -2.481 -12.548 262 HB3 ASN 34 2HB ASN 34 11.679 -2.759 -11.965 263 HD21 ASN 34 1HD2 ASN 34 11.853 -3.024 -14.446 264 HD22 ASN 34 2HD2 ASN 34 11.613 -4.660 -15.046 265 H GLU 35 H GLU 35 11.499 -5.792 -11.492 266 HA GLU 35 HA GLU 35 13.045 -7.200 -10.740 267 HB2 GLU 35 1HB GLU 35 13.949 -5.031 -8.834 268 HB3 GLU 35 2HB GLU 35 14.851 -6.469 -9.309 269 HG2 GLU 35 1HG GLU 35 14.744 -5.706 -11.701 270 HG3 GLU 35 2HG GLU 35 14.004 -4.199 -11.157 271 H LYS 36 H LYS 36 10.398 -6.798 -9.025 272 HA LYS 36 HA LYS 36 11.108 -8.719 -6.864 273 HB2 LYS 36 1HB LYS 36 8.732 -6.983 -7.417 274 HB3 LYS 36 2HB LYS 36 8.423 -8.555 -6.698 275 HG2 LYS 36 1HG LYS 36 8.649 -6.998 -4.902 276 HG3 LYS 36 2HG LYS 36 10.017 -8.104 -4.880 277 HD2 LYS 36 1HD LYS 36 10.874 -5.934 -4.391 278 HD3 LYS 36 2HD LYS 36 11.401 -6.311 -6.032 279 HE2 LYS 36 1HE LYS 36 9.345 -4.992 -6.854 280 HE3 LYS 36 2HE LYS 36 9.089 -4.514 -5.170 281 HZ1 LYS 36 3HZ LYS 36 11.442 -3.617 -5.274 282 HZ2 LYS 36 1HZ LYS 36 10.358 -2.819 -6.209 283 HZ3 LYS 36 2HZ LYS 36 11.394 -3.869 -6.910 284 HA PRO 37 HA PRO 37 10.530 -11.881 -9.874 285 HB2 PRO 37 1HB PRO 37 10.507 -14.143 -8.268 286 HB3 PRO 37 2HB PRO 37 11.954 -13.187 -8.682 287 HG2 PRO 37 1HG PRO 37 10.257 -12.995 -6.183 288 HG3 PRO 37 2HG PRO 37 12.042 -13.088 -6.302 289 HD2 PRO 37 1HD PRO 37 10.771 -10.719 -5.985 290 HD3 PRO 37 2HD PRO 37 12.183 -10.851 -7.071 291 H TYR 38 H TYR 38 8.281 -12.035 -7.085 292 HA TYR 38 HA TYR 38 6.459 -13.774 -8.620 293 HB2 TYR 38 1HB TYR 38 6.349 -12.862 -5.735 294 HB3 TYR 38 2HB TYR 38 5.280 -14.033 -6.489 295 HD1 TYR 38 1HD TYR 38 6.395 -16.117 -7.646 296 HD2 TYR 38 2HD TYR 38 8.353 -13.613 -4.743 297 HE1 TYR 38 1HE TYR 38 8.089 -17.902 -7.244 298 HE2 TYR 38 2HE TYR 38 10.035 -15.402 -4.318 299 HH TYR 38 HH TYR 38 10.760 -17.506 -4.888 300 H LYS 39 H LYS 39 5.630 -12.462 -10.186 301 HA LYS 39 HA LYS 39 4.171 -9.988 -9.447 302 HB2 LYS 39 1HB LYS 39 5.100 -11.129 -12.089 303 HB3 LYS 39 2HB LYS 39 4.043 -9.714 -11.962 304 HG2 LYS 39 1HG LYS 39 5.699 -8.502 -10.679 305 HG3 LYS 39 2HG LYS 39 6.765 -9.914 -10.605 306 HD2 LYS 39 1HD LYS 39 7.048 -9.836 -13.054 307 HD3 LYS 39 2HD LYS 39 5.951 -8.438 -13.147 308 HE2 LYS 39 1HE LYS 39 7.489 -7.143 -11.679 309 HE3 LYS 39 2HE LYS 39 8.585 -8.529 -11.599 310 HZ1 LYS 39 3HZ LYS 39 8.935 -8.326 -13.991 311 HZ2 LYS 39 1HZ LYS 39 9.272 -6.886 -13.290 312 HZ3 LYS 39 2HZ LYS 39 7.872 -7.089 -14.103 313 H CYS 40 H CYS 40 2.100 -9.656 -9.617 314 HA CYS 40 HA CYS 40 0.188 -11.826 -9.828 315 HB2 CYS 40 1HB CYS 40 -0.060 -10.035 -8.211 316 HB3 CYS 40 2HB CYS 40 -0.071 -8.827 -9.518 317 HA PRO 41 HA PRO 41 -0.340 -11.039 -14.280 318 HB2 PRO 41 1HB PRO 41 -2.092 -13.032 -14.881 319 HB3 PRO 41 2HB PRO 41 -0.376 -13.348 -14.484 320 HG2 PRO 41 1HG PRO 41 -2.779 -13.550 -12.644 321 HG3 PRO 41 2HG PRO 41 -1.456 -14.732 -12.873 322 HD2 PRO 41 1HD PRO 41 -1.500 -12.878 -10.835 323 HD3 PRO 41 2HD PRO 41 0.021 -13.473 -11.567 324 H GLN 42 H GLN 42 -2.579 -10.470 -11.763 325 HA GLN 42 HA GLN 42 -4.748 -9.616 -13.636 326 HB2 GLN 42 1HB GLN 42 -4.819 -10.630 -10.783 327 HB3 GLN 42 2HB GLN 42 -6.208 -9.892 -11.594 328 HG2 GLN 42 1HG GLN 42 -6.113 -11.578 -13.389 329 HG3 GLN 42 2HG GLN 42 -4.710 -12.334 -12.639 330 HE21 GLN 42 1HE2 GLN 42 -5.009 -13.429 -10.518 331 HE22 GLN 42 2HE2 GLN 42 -6.622 -13.998 -10.112 332 H CYS 43 H CYS 43 -2.604 -8.219 -11.130 333 HA CYS 43 HA CYS 43 -3.785 -5.611 -11.927 334 HB2 CYS 43 1HB CYS 43 -3.921 -4.848 -9.643 335 HB3 CYS 43 2HB CYS 43 -4.924 -6.277 -9.882 336 H SER 44 H SER 44 -1.093 -7.209 -12.215 337 HA SER 44 HA SER 44 1.098 -6.807 -12.398 338 HB2 SER 44 1HB SER 44 0.353 -3.879 -12.601 339 HB3 SER 44 2HB SER 44 1.871 -4.625 -13.124 340 HG SER 44 HG SER 44 0.369 -4.379 -14.853 341 H TYR 45 H TYR 45 -0.173 -6.490 -9.586 342 HA TYR 45 HA TYR 45 1.708 -5.189 -7.885 343 HB2 TYR 45 1HB TYR 45 -0.444 -5.899 -7.099 344 HB3 TYR 45 2HB TYR 45 -0.205 -7.542 -7.660 345 HD1 TYR 45 2HD TYR 45 0.643 -5.045 -5.063 346 HD2 TYR 45 1HD TYR 45 1.105 -9.157 -6.295 347 HE1 TYR 45 2HE TYR 45 1.477 -5.641 -2.791 348 HE2 TYR 45 1HE TYR 45 1.927 -9.751 -4.024 349 HH TYR 45 HH TYR 45 2.433 -8.963 -1.885 350 H ALA 46 H ALA 46 3.445 -6.152 -6.695 351 HA ALA 46 HA ALA 46 4.461 -8.764 -7.595 352 HB1 ALA 46 1HB ALA 46 5.460 -6.982 -9.102 353 HB2 ALA 46 2HB ALA 46 6.316 -6.366 -7.679 354 HB3 ALA 46 3HB ALA 46 6.612 -8.032 -8.258 355 H SER 47 H SER 47 5.816 -9.844 -6.235 356 HA SER 47 HA SER 47 6.560 -8.630 -3.615 357 HB2 SER 47 1HB SER 47 4.402 -9.860 -3.419 358 HB3 SER 47 2HB SER 47 5.225 -11.344 -3.941 359 HG SER 47 HG SER 47 5.005 -10.584 -1.547 360 H ALA 48 H ALA 48 8.119 -9.809 -2.425 361 HA ALA 48 HA ALA 48 10.145 -11.249 -4.041 362 HB1 ALA 48 1HB ALA 48 10.260 -10.122 -1.215 363 HB2 ALA 48 2HB ALA 48 11.614 -10.824 -2.126 364 HB3 ALA 48 3HB ALA 48 10.864 -9.320 -2.685 365 H ILE 49 H ILE 49 7.436 -12.109 -2.236 366 HA ILE 49 HA ILE 49 8.605 -14.762 -1.472 367 HB ILE 49 HB ILE 49 6.484 -13.225 0.062 368 HG12 ILE 49 1HG1 ILE 49 9.439 -13.604 0.702 369 HG13 ILE 49 2HG1 ILE 49 8.635 -12.083 0.300 370 HG21 ILE 49 1HG2 ILE 49 8.003 -15.779 0.774 371 HG22 ILE 49 2HG2 ILE 49 6.741 -14.998 1.749 372 HG23 ILE 49 3HG2 ILE 49 6.318 -15.725 0.219 373 HD11 ILE 49 3HD1 ILE 49 8.244 -13.700 2.834 374 HD12 ILE 49 1HD1 ILE 49 8.965 -12.096 2.650 375 HD13 ILE 49 2HD1 ILE 49 7.225 -12.314 2.362 376 H LYS 50 H LYS 50 7.644 -16.480 -2.324 377 HA LYS 50 HA LYS 50 5.546 -16.278 -4.246 378 HB2 LYS 50 1HB LYS 50 7.404 -18.004 -4.110 379 HB3 LYS 50 2HB LYS 50 6.498 -18.807 -2.829 380 HG2 LYS 50 1HG LYS 50 4.596 -19.162 -4.378 381 HG3 LYS 50 2HG LYS 50 5.452 -18.264 -5.649 382 HD2 LYS 50 1HD LYS 50 7.269 -19.962 -5.619 383 HD3 LYS 50 2HD LYS 50 6.399 -20.864 -4.357 384 HE2 LYS 50 1HE LYS 50 4.464 -21.137 -5.893 385 HE3 LYS 50 2HE LYS 50 5.327 -20.240 -7.148 386 HZ1 LYS 50 3HZ LYS 50 7.025 -21.995 -7.141 387 HZ2 LYS 50 1HZ LYS 50 5.559 -22.637 -7.459 388 HZ3 LYS 50 2HZ LYS 50 6.225 -22.825 -5.982 389 H ALA 51 H ALA 51 5.442 -17.484 -0.888 390 HA ALA 51 HA ALA 51 2.687 -18.205 -0.872 391 HB1 ALA 51 1HB ALA 51 4.350 -18.987 0.776 392 HB2 ALA 51 2HB ALA 51 4.508 -17.336 1.422 393 HB3 ALA 51 3HB ALA 51 2.972 -18.213 1.581 394 H ASN 52 H ASN 52 4.232 -15.020 -0.363 395 HA ASN 52 HA ASN 52 1.846 -13.700 0.607 396 HB2 ASN 52 1HB ASN 52 4.074 -12.758 0.986 397 HB3 ASN 52 2HB ASN 52 4.357 -12.647 -0.757 398 HD21 ASN 52 1HD2 ASN 52 2.333 -11.325 1.895 399 HD22 ASN 52 2HD2 ASN 52 1.958 -9.850 1.016 400 H LEU 53 H LEU 53 3.231 -14.117 -2.727 401 HA LEU 53 HA LEU 53 1.038 -12.821 -4.024 402 HB2 LEU 53 1HB LEU 53 3.166 -13.231 -5.147 403 HB3 LEU 53 2HB LEU 53 2.924 -14.977 -5.032 404 HG LEU 53 HG LEU 53 0.936 -14.820 -6.509 405 HD11 LEU 53 1HD1 LEU 53 1.663 -11.862 -6.718 406 HD12 LEU 53 2HD1 LEU 53 0.164 -12.533 -6.034 407 HD13 LEU 53 3HD1 LEU 53 0.494 -12.719 -7.752 408 HD21 LEU 53 3HD2 LEU 53 3.204 -15.172 -7.458 409 HD22 LEU 53 1HD2 LEU 53 3.335 -13.412 -7.697 410 HD23 LEU 53 2HD2 LEU 53 2.104 -14.338 -8.573 411 H ASN 54 H ASN 54 1.516 -16.223 -3.005 412 HA ASN 54 HA ASN 54 -0.830 -17.322 -4.120 413 HB2 ASN 54 1HB ASN 54 1.215 -18.429 -2.951 414 HB3 ASN 54 2HB ASN 54 0.340 -18.165 -1.441 415 HD21 ASN 54 1HD2 ASN 54 0.303 -19.849 -4.558 416 HD22 ASN 54 2HD2 ASN 54 -0.867 -21.062 -4.055 417 H VAL 55 H VAL 55 -0.463 -15.584 -1.005 418 HA VAL 55 HA VAL 55 -3.304 -15.786 -0.324 419 HB VAL 55 HB VAL 55 -1.079 -14.066 0.795 420 HG11 VAL 55 1HG1 VAL 55 -3.915 -14.473 1.840 421 HG12 VAL 55 2HG1 VAL 55 -2.589 -13.718 2.749 422 HG13 VAL 55 3HG1 VAL 55 -3.199 -12.939 1.291 423 HG21 VAL 55 3HG2 VAL 55 -0.832 -16.512 1.196 424 HG22 VAL 55 1HG2 VAL 55 -1.170 -15.634 2.688 425 HG23 VAL 55 2HG2 VAL 55 -2.464 -16.556 1.888 426 H HIS 56 H HIS 56 -1.294 -13.311 -1.954 427 HA HIS 56 HA HIS 56 -3.335 -11.316 -2.177 428 HB2 HIS 56 1HB HIS 56 -0.977 -10.834 -2.555 429 HB3 HIS 56 2HB HIS 56 -0.921 -11.977 -3.897 430 HD1 HIS 56 1HD HIS 56 -2.295 -8.489 -3.098 431 HD2 HIS 56 2HD HIS 56 -1.855 -11.227 -6.257 432 HE1 HIS 56 1HE HIS 56 -3.023 -7.255 -5.185 433 H LEU 57 H LEU 57 -2.628 -14.077 -4.371 434 HA LEU 57 HA LEU 57 -4.522 -13.371 -6.388 435 HB2 LEU 57 1HB LEU 57 -3.424 -16.008 -5.431 436 HB3 LEU 57 2HB LEU 57 -4.445 -15.890 -6.856 437 HG LEU 57 HG LEU 57 -1.854 -14.301 -6.625 438 HD11 LEU 57 1HD1 LEU 57 -1.379 -16.681 -6.315 439 HD12 LEU 57 2HD1 LEU 57 -0.800 -16.126 -7.899 440 HD13 LEU 57 3HD1 LEU 57 -2.304 -17.080 -7.778 441 HD21 LEU 57 3HD2 LEU 57 -3.515 -15.207 -9.012 442 HD22 LEU 57 1HD2 LEU 57 -1.973 -14.327 -9.079 443 HD23 LEU 57 2HD2 LEU 57 -3.397 -13.543 -8.385 444 H ARG 58 H ARG 58 -5.040 -14.990 -3.286 445 HA ARG 58 HA ARG 58 -7.786 -15.774 -3.689 446 HB2 ARG 58 1HB ARG 58 -6.367 -14.942 -1.128 447 HB3 ARG 58 2HB ARG 58 -7.962 -15.654 -1.198 448 HG2 ARG 58 1HG ARG 58 -7.143 -17.734 -2.062 449 HG3 ARG 58 2HG ARG 58 -5.506 -17.086 -2.277 450 HD2 ARG 58 1HD ARG 58 -5.182 -16.847 0.110 451 HD3 ARG 58 2HD ARG 58 -6.893 -17.118 0.428 452 HE ARG 58 HE ARG 58 -6.560 -19.373 0.432 453 HH11 ARG 58 2HH1 ARG 58 -3.822 -18.089 -1.381 454 HH12 ARG 58 1HH1 ARG 58 -2.944 -19.582 -1.242 455 HH21 ARG 58 2HH2 ARG 58 -5.390 -21.265 0.467 456 HH22 ARG 58 1HH2 ARG 58 -3.820 -21.321 -0.286 457 H LYS 59 H LYS 59 -6.492 -12.552 -3.368 458 HA LYS 59 HA LYS 59 -9.059 -11.313 -2.633 459 HB2 LYS 59 1HB LYS 59 -6.601 -10.001 -3.868 460 HB3 LYS 59 2HB LYS 59 -7.974 -9.205 -3.107 461 HG2 LYS 59 1HG LYS 59 -7.390 -10.403 -0.948 462 HG3 LYS 59 2HG LYS 59 -5.898 -10.962 -1.734 463 HD2 LYS 59 1HD LYS 59 -5.201 -8.621 -2.111 464 HD3 LYS 59 2HD LYS 59 -6.709 -8.047 -1.360 465 HE2 LYS 59 1HE LYS 59 -6.084 -9.262 0.743 466 HE3 LYS 59 2HE LYS 59 -4.546 -9.721 0.002 467 HZ1 LYS 59 3HZ LYS 59 -4.314 -7.728 1.373 468 HZ2 LYS 59 1HZ LYS 59 -5.439 -6.928 0.510 469 HZ3 LYS 59 2HZ LYS 59 -4.016 -7.335 -0.181 470 H HIS 60 H HIS 60 -7.578 -12.405 -5.577 471 HA HIS 60 HA HIS 60 -9.438 -10.896 -7.319 472 HB2 HIS 60 1HB HIS 60 -7.164 -12.802 -7.962 473 HB3 HIS 60 2HB HIS 60 -8.156 -11.945 -9.141 474 HD1 HIS 60 1HD HIS 60 -8.108 -9.070 -8.600 475 HD2 HIS 60 2HD HIS 60 -4.907 -11.590 -7.542 476 HE1 HIS 60 1HE HIS 60 -6.093 -7.554 -8.379 477 H THR 61 H THR 61 -11.323 -11.946 -6.301 478 HA THR 61 HA THR 61 -12.028 -14.497 -7.699 479 HB THR 61 HB THR 61 -13.531 -15.009 -5.779 480 HG1 THR 61 1HG THR 61 -13.082 -13.974 -3.820 481 HG21 THR 61 3HG2 THR 61 -10.574 -14.815 -5.061 482 HG22 THR 61 1HG2 THR 61 -11.334 -16.118 -5.999 483 HG23 THR 61 2HG2 THR 61 -11.778 -15.877 -4.300 484 H GLY 62 H GLY 62 -14.158 -14.780 -8.369 485 HA2 GLY 62 1HA GLY 62 -16.431 -13.336 -8.113 486 HA3 GLY 62 2HA GLY 62 -15.516 -12.321 -9.229 487 H GLU 63 H GLU 63 -17.857 -13.229 -10.127 488 HA GLU 63 HA GLU 63 -17.722 -15.704 -11.607 489 HB2 GLU 63 1HB GLU 63 -19.578 -13.294 -11.721 490 HB3 GLU 63 2HB GLU 63 -19.774 -14.709 -12.750 491 HG2 GLU 63 1HG GLU 63 -19.816 -14.760 -9.712 492 HG3 GLU 63 2HG GLU 63 -21.238 -14.744 -10.752 493 H LYS 64 H LYS 64 -17.958 -15.811 -13.845 494 HA LYS 64 HA LYS 64 -15.849 -14.172 -15.199 495 HB2 LYS 64 1HB LYS 64 -16.588 -17.074 -15.719 496 HB3 LYS 64 2HB LYS 64 -15.283 -16.179 -16.490 497 HG2 LYS 64 1HG LYS 64 -15.458 -16.961 -13.563 498 HG3 LYS 64 2HG LYS 64 -14.404 -17.656 -14.799 499 HD2 LYS 64 1HD LYS 64 -13.294 -15.416 -15.068 500 HD3 LYS 64 2HD LYS 64 -14.249 -14.809 -13.708 501 HE2 LYS 64 1HE LYS 64 -12.264 -17.118 -13.635 502 HE3 LYS 64 2HE LYS 64 -11.978 -15.485 -13.026 503 HZ1 LYS 64 3HZ LYS 64 -13.929 -17.440 -11.937 504 HZ2 LYS 64 1HZ LYS 64 -13.892 -15.884 -11.453 505 HZ3 LYS 64 2HZ LYS 64 -12.602 -16.867 -11.187 506 H PHE 65 H PHE 65 -15.821 -13.711 -17.251 507 HA PHE 65 HA PHE 65 -18.194 -14.170 -19.005 508 HB2 PHE 65 1HB PHE 65 -16.344 -11.750 -19.008 509 HB3 PHE 65 2HB PHE 65 -17.748 -12.017 -20.030 510 HD1 PHE 65 2HD PHE 65 -20.070 -11.935 -19.049 511 HD2 PHE 65 1HD PHE 65 -16.568 -10.903 -16.759 512 HE1 PHE 65 2HE PHE 65 -21.501 -10.790 -17.372 513 HE2 PHE 65 1HE PHE 65 -17.998 -9.731 -15.097 514 HZ PHE 65 HZ PHE 65 -20.467 -9.672 -15.403 515 H ALA 66 H ALA 66 -17.618 -14.860 -21.143 516 HA ALA 66 HA ALA 66 -14.746 -15.645 -21.471 517 HB1 ALA 66 1HB ALA 66 -16.171 -17.520 -20.767 518 HB2 ALA 66 2HB ALA 66 -17.229 -17.244 -22.171 519 HB3 ALA 66 3HB ALA 66 -15.541 -17.745 -22.411 520 H CYS 67 H CYS 67 -13.785 -15.548 -23.408 521 HA CYS 67 HA CYS 67 -14.697 -13.667 -25.342 522 HB2 CYS 67 1HB CYS 67 -12.374 -14.126 -24.691 523 HB3 CYS 67 2HB CYS 67 -12.462 -15.726 -25.434 524 H ASP 68 H ASP 68 -15.336 -13.876 -27.428 525 HA ASP 68 HA ASP 68 -16.871 -16.308 -28.134 526 HB2 ASP 68 1HB ASP 68 -17.843 -13.986 -28.240 527 HB3 ASP 68 2HB ASP 68 -16.723 -13.625 -29.551 528 H TYR 69 H TYR 69 -13.761 -15.130 -28.690 529 HA TYR 69 HA TYR 69 -13.478 -16.471 -31.363 530 HB2 TYR 69 1HB TYR 69 -12.052 -14.092 -30.184 531 HB3 TYR 69 2HB TYR 69 -11.693 -14.807 -31.748 532 HD1 TYR 69 1HD TYR 69 -13.233 -14.536 -33.655 533 HD2 TYR 69 2HD TYR 69 -14.006 -12.674 -29.840 534 HE1 TYR 69 1HE TYR 69 -14.885 -13.011 -34.729 535 HE2 TYR 69 2HE TYR 69 -15.673 -11.166 -30.914 536 HH TYR 69 HH TYR 69 -16.705 -10.548 -32.861 537 H CYS 70 H CYS 70 -12.196 -16.388 -28.089 538 HA CYS 70 HA CYS 70 -10.388 -18.605 -28.750 539 HB2 CYS 70 1HB CYS 70 -8.440 -17.695 -27.756 540 HB3 CYS 70 2HB CYS 70 -8.996 -16.600 -29.005 541 H SER 71 H SER 71 -9.168 -19.008 -26.361 542 HA SER 71 HA SER 71 -11.347 -20.042 -24.696 543 HB2 SER 71 1HB SER 71 -9.515 -21.254 -23.549 544 HB3 SER 71 2HB SER 71 -9.549 -21.524 -25.296 545 HG SER 71 HG SER 71 -7.423 -21.098 -24.516 546 H PHE 72 H PHE 72 -9.925 -17.058 -24.672 547 HA PHE 72 HA PHE 72 -9.073 -16.659 -22.009 548 HB2 PHE 72 1HB PHE 72 -8.538 -15.151 -23.822 549 HB3 PHE 72 2HB PHE 72 -10.234 -14.781 -24.075 550 HD1 PHE 72 1HD PHE 72 -7.564 -14.506 -21.424 551 HD2 PHE 72 2HD PHE 72 -11.160 -12.858 -23.138 552 HE1 PHE 72 1HE PHE 72 -7.396 -12.543 -19.908 553 HE2 PHE 72 2HE PHE 72 -10.964 -10.881 -21.654 554 HZ PHE 72 HZ PHE 72 -9.109 -10.735 -20.012 555 H THR 73 H THR 73 -9.979 -16.067 -20.136 556 HA THR 73 HA THR 73 -12.870 -15.390 -19.983 557 HB THR 73 HB THR 73 -12.830 -16.304 -17.635 558 HG1 THR 73 1HG THR 73 -11.285 -17.936 -17.248 559 HG21 THR 73 3HG2 THR 73 -13.961 -17.498 -19.466 560 HG22 THR 73 1HG2 THR 73 -13.264 -18.603 -18.269 561 HG23 THR 73 2HG2 THR 73 -12.452 -18.364 -19.840 562 H CYS 74 H CYS 74 -13.466 -13.824 -18.550 563 HA CYS 74 HA CYS 74 -11.321 -12.150 -17.308 564 HB2 CYS 74 1HB CYS 74 -12.047 -11.442 -19.653 565 HB3 CYS 74 2HB CYS 74 -13.655 -11.140 -18.981 566 HG CYS 74 HG CYS 74 -12.858 -8.836 -18.928 567 H LEU 75 H LEU 75 -11.999 -10.784 -15.623 568 HA LEU 75 HA LEU 75 -14.350 -11.645 -14.058 569 HB2 LEU 75 1HB LEU 75 -11.959 -9.833 -13.561 570 HB3 LEU 75 2HB LEU 75 -13.322 -9.839 -12.472 571 HG LEU 75 HG LEU 75 -11.477 -11.176 -11.644 572 HD11 LEU 75 1HD1 LEU 75 -13.904 -12.897 -12.263 573 HD12 LEU 75 2HD1 LEU 75 -13.779 -11.705 -10.955 574 HD13 LEU 75 3HD1 LEU 75 -12.734 -13.133 -10.949 575 HD21 LEU 75 3HD2 LEU 75 -10.840 -13.312 -12.546 576 HD22 LEU 75 1HD2 LEU 75 -10.601 -12.075 -13.787 577 HD23 LEU 75 2HD2 LEU 75 -12.006 -13.166 -13.879 578 H SER 76 H SER 76 -13.865 -9.358 -16.500 579 HA SER 76 HA SER 76 -16.342 -7.892 -15.753 580 HB2 SER 76 1HB SER 76 -14.616 -6.426 -14.966 581 HB3 SER 76 2HB SER 76 -13.685 -6.612 -16.462 582 HG SER 76 HG SER 76 -15.061 -4.659 -16.244 583 H LYS 77 H LYS 77 -17.701 -7.654 -17.395 584 HA LYS 77 HA LYS 77 -17.158 -8.586 -20.060 585 HB2 LYS 77 1HB LYS 77 -19.374 -7.763 -20.612 586 HB3 LYS 77 2HB LYS 77 -19.375 -8.685 -19.110 587 HG2 LYS 77 1HG LYS 77 -19.493 -6.585 -17.791 588 HG3 LYS 77 2HG LYS 77 -19.388 -5.634 -19.277 589 HD2 LYS 77 1HD LYS 77 -21.674 -5.684 -18.545 590 HD3 LYS 77 2HD LYS 77 -21.534 -6.585 -20.060 591 HE2 LYS 77 1HE LYS 77 -21.539 -8.721 -18.797 592 HE3 LYS 77 2HE LYS 77 -21.610 -7.831 -17.270 593 HZ1 LYS 77 3HZ LYS 77 -23.708 -7.767 -19.379 594 HZ2 LYS 77 1HZ LYS 77 -23.775 -6.945 -17.969 595 HZ3 LYS 77 2HZ LYS 77 -23.818 -8.574 -17.966 596 H GLY 78 H GLY 78 -16.739 -5.443 -18.572 597 HA2 GLY 78 1HA GLY 78 -16.548 -3.870 -21.011 598 HA3 GLY 78 2HA GLY 78 -15.969 -3.422 -19.399 599 H HIS 79 H HIS 79 -14.100 -5.354 -18.808 600 HA HIS 79 HA HIS 79 -11.870 -4.681 -20.532 601 HB2 HIS 79 1HB HIS 79 -11.636 -5.026 -18.119 602 HB3 HIS 79 2HB HIS 79 -12.100 -6.716 -18.293 603 HD1 HIS 79 1HD HIS 79 -10.070 -8.334 -18.641 604 HD2 HIS 79 2HD HIS 79 -9.292 -4.325 -19.652 605 HE1 HIS 79 1HE HIS 79 -7.596 -8.221 -19.266 606 H LEU 80 H LEU 80 -14.048 -7.521 -20.364 607 HA LEU 80 HA LEU 80 -12.635 -9.091 -22.293 608 HB2 LEU 80 1HB LEU 80 -14.427 -9.974 -20.842 609 HB3 LEU 80 2HB LEU 80 -15.604 -8.953 -21.668 610 HG LEU 80 HG LEU 80 -15.215 -10.176 -23.791 611 HD11 LEU 80 1HD1 LEU 80 -13.956 -12.318 -23.729 612 HD12 LEU 80 2HD1 LEU 80 -13.381 -11.934 -22.095 613 HD13 LEU 80 3HD1 LEU 80 -12.895 -10.938 -23.494 614 HD21 LEU 80 3HD2 LEU 80 -16.338 -12.208 -23.162 615 HD22 LEU 80 1HD2 LEU 80 -16.958 -10.891 -22.161 616 HD23 LEU 80 2HD2 LEU 80 -15.788 -12.048 -21.478 617 H LYS 81 H LYS 81 -15.133 -6.517 -22.743 618 HA LYS 81 HA LYS 81 -15.215 -6.683 -25.601 619 HB2 LYS 81 1HB LYS 81 -16.835 -5.459 -24.151 620 HB3 LYS 81 2HB LYS 81 -15.614 -4.211 -23.863 621 HG2 LYS 81 1HG LYS 81 -15.517 -3.742 -26.303 622 HG3 LYS 81 2HG LYS 81 -16.736 -4.987 -26.597 623 HD2 LYS 81 1HD LYS 81 -17.144 -2.468 -24.920 624 HD3 LYS 81 2HD LYS 81 -17.636 -2.667 -26.608 625 HE2 LYS 81 1HE LYS 81 -19.108 -4.574 -25.945 626 HE3 LYS 81 2HE LYS 81 -18.666 -4.313 -24.252 627 HZ1 LYS 81 3HZ LYS 81 -19.638 -2.079 -24.415 628 HZ2 LYS 81 1HZ LYS 81 -20.755 -3.204 -24.799 629 HZ3 LYS 81 2HZ LYS 81 -20.050 -2.325 -25.977 630 H VAL 82 H VAL 82 -13.019 -4.829 -23.466 631 HA VAL 82 HA VAL 82 -11.460 -3.652 -25.576 632 HB VAL 82 HB VAL 82 -10.705 -4.321 -22.707 633 HG11 VAL 82 1HG1 VAL 82 -9.224 -2.625 -24.757 634 HG12 VAL 82 2HG1 VAL 82 -8.872 -2.660 -23.014 635 HG13 VAL 82 3HG1 VAL 82 -8.625 -4.114 -23.981 636 HG21 VAL 82 3HG2 VAL 82 -11.038 -1.910 -22.347 637 HG22 VAL 82 1HG2 VAL 82 -11.471 -1.692 -24.058 638 HG23 VAL 82 2HG2 VAL 82 -12.521 -2.627 -22.981 639 H HIS 83 H HIS 83 -10.995 -6.802 -23.852 640 HA HIS 83 HA HIS 83 -8.726 -7.673 -25.335 641 HB2 HIS 83 1HB HIS 83 -9.386 -8.916 -23.412 642 HB3 HIS 83 2HB HIS 83 -11.016 -9.162 -24.011 643 HD1 HIS 83 1HD HIS 83 -7.515 -10.624 -24.407 644 HD2 HIS 83 2HD HIS 83 -11.447 -11.120 -25.793 645 HE1 HIS 83 1HE HIS 83 -7.539 -12.844 -25.634 646 H ILE 84 H ILE 84 -12.230 -8.108 -26.135 647 HA ILE 84 HA ILE 84 -11.731 -9.494 -28.579 648 HB ILE 84 HB ILE 84 -14.141 -7.952 -27.588 649 HG12 ILE 84 1HG1 ILE 84 -13.599 -10.943 -27.976 650 HG13 ILE 84 2HG1 ILE 84 -13.427 -10.100 -26.445 651 HG21 ILE 84 1HG2 ILE 84 -14.225 -7.860 -30.046 652 HG22 ILE 84 2HG2 ILE 84 -13.873 -9.600 -30.149 653 HG23 ILE 84 3HG2 ILE 84 -15.409 -9.012 -29.469 654 HD11 ILE 84 3HD1 ILE 84 -15.856 -9.505 -26.511 655 HD12 ILE 84 1HD1 ILE 84 -16.020 -10.547 -27.951 656 HD13 ILE 84 2HD1 ILE 84 -15.512 -11.244 -26.409 657 H GLU 85 H GLU 85 -12.371 -5.985 -28.097 658 HA GLU 85 HA GLU 85 -12.136 -5.229 -30.819 659 HB2 GLU 85 1HB GLU 85 -11.579 -3.753 -28.219 660 HB3 GLU 85 2HB GLU 85 -11.487 -2.963 -29.788 661 HG2 GLU 85 1HG GLU 85 -13.997 -4.386 -28.809 662 HG3 GLU 85 2HG GLU 85 -13.666 -2.682 -28.526 663 H ARG 86 H ARG 86 -9.527 -5.555 -28.369 664 HA ARG 86 HA ARG 86 -7.501 -4.523 -30.235 665 HB2 ARG 86 1HB ARG 86 -7.319 -5.631 -27.410 666 HB3 ARG 86 2HB ARG 86 -5.941 -5.028 -28.337 667 HG2 ARG 86 1HG ARG 86 -7.026 -2.811 -28.568 668 HG3 ARG 86 2HG ARG 86 -8.398 -3.376 -27.597 669 HD2 ARG 86 1HD ARG 86 -6.876 -3.829 -25.705 670 HD3 ARG 86 2HD ARG 86 -5.498 -3.268 -26.676 671 HE ARG 86 HE ARG 86 -7.377 -1.178 -26.700 672 HH11 ARG 86 2HH1 ARG 86 -5.418 -2.746 -24.256 673 HH12 ARG 86 1HH1 ARG 86 -5.377 -1.327 -23.245 674 HH21 ARG 86 2HH2 ARG 86 -7.287 0.596 -25.363 675 HH22 ARG 86 1HH2 ARG 86 -6.410 0.514 -23.866 676 H VAL 87 H VAL 87 -8.354 -7.772 -29.044 677 HA VAL 87 HA VAL 87 -5.954 -8.900 -30.364 678 HB VAL 87 HB VAL 87 -8.042 -10.282 -28.647 679 HG11 VAL 87 1HG1 VAL 87 -6.827 -11.900 -30.036 680 HG12 VAL 87 2HG1 VAL 87 -5.276 -11.184 -29.551 681 HG13 VAL 87 3HG1 VAL 87 -6.299 -12.018 -28.361 682 HG21 VAL 87 3HG2 VAL 87 -6.809 -8.563 -27.344 683 HG22 VAL 87 1HG2 VAL 87 -6.286 -10.180 -26.879 684 HG23 VAL 87 2HG2 VAL 87 -5.267 -9.197 -27.953 685 H HIS 88 H HIS 88 -9.487 -8.977 -30.834 686 HA HIS 88 HA HIS 88 -9.089 -10.862 -33.141 687 HB2 HIS 88 1HB HIS 88 -11.527 -10.507 -31.375 688 HB3 HIS 88 2HB HIS 88 -11.295 -11.711 -32.637 689 HD1 HIS 88 1HD HIS 88 -9.007 -13.421 -32.044 690 HD2 HIS 88 2HD HIS 88 -11.065 -11.388 -29.005 691 HE1 HIS 88 1HE HIS 88 -8.513 -14.694 -29.897 692 H LYS 89 H LYS 89 -10.970 -7.998 -32.115 693 HA LYS 89 HA LYS 89 -12.134 -7.727 -34.794 694 HB2 LYS 89 1HB LYS 89 -12.814 -6.862 -32.071 695 HB3 LYS 89 2HB LYS 89 -13.061 -5.573 -33.240 696 HG2 LYS 89 1HG LYS 89 -14.126 -8.399 -33.580 697 HG3 LYS 89 2HG LYS 89 -15.039 -7.102 -32.804 698 HD2 LYS 89 1HD LYS 89 -15.047 -5.761 -34.821 699 HD3 LYS 89 2HD LYS 89 -13.973 -6.892 -35.659 700 HE2 LYS 89 1HE LYS 89 -15.663 -8.673 -35.504 701 HE3 LYS 89 2HE LYS 89 -16.759 -7.589 -34.637 702 HZ1 LYS 89 3HZ LYS 89 -15.739 -7.048 -37.386 703 HZ2 LYS 89 1HZ LYS 89 -16.884 -6.196 -36.592 704 HZ3 LYS 89 2HZ LYS 89 -17.201 -7.726 -37.070 705 H LYS 90 H LYS 90 -9.201 -6.877 -33.894 706 HA LYS 90 HA LYS 90 -8.787 -4.228 -34.812 707 HB2 LYS 90 1HB LYS 90 -7.154 -5.754 -33.676 708 HB3 LYS 90 2HB LYS 90 -6.973 -6.654 -35.188 709 HG2 LYS 90 1HG LYS 90 -6.135 -4.580 -36.299 710 HG3 LYS 90 2HG LYS 90 -6.316 -3.696 -34.779 711 HD2 LYS 90 1HD LYS 90 -4.478 -6.088 -35.254 712 HD3 LYS 90 2HD LYS 90 -3.981 -4.389 -35.257 713 HE2 LYS 90 1HE LYS 90 -4.734 -4.174 -32.885 714 HE3 LYS 90 2HE LYS 90 -5.170 -5.887 -32.882 715 HZ1 LYS 90 3HZ LYS 90 -2.833 -6.419 -33.319 716 HZ2 LYS 90 1HZ LYS 90 -2.970 -5.555 -31.943 717 HZ3 LYS 90 2HZ LYS 90 -2.426 -4.835 -33.304 718 H ILE 91 H ILE 91 -9.438 -7.117 -36.670 719 HA ILE 91 HA ILE 91 -8.839 -5.959 -39.250 720 HB ILE 91 HB ILE 91 -8.650 -8.378 -38.630 721 HG12 ILE 91 1HG1 ILE 91 -9.408 -9.382 -40.689 722 HG13 ILE 91 2HG1 ILE 91 -10.441 -8.011 -41.059 723 HG21 ILE 91 1HG2 ILE 91 -10.615 -9.823 -38.619 724 HG22 ILE 91 2HG2 ILE 91 -10.780 -8.596 -37.361 725 HG23 ILE 91 3HG2 ILE 91 -11.689 -8.437 -38.877 726 HD11 ILE 91 3HD1 ILE 91 -8.294 -8.026 -42.332 727 HD12 ILE 91 1HD1 ILE 91 -8.467 -6.564 -41.352 728 HD13 ILE 91 2HD1 ILE 91 -7.399 -7.884 -40.806 729 H LYS 92 H LYS 92 -11.384 -5.421 -37.220 730 HA LYS 92 HA LYS 92 -13.497 -4.632 -37.300 731 HB2 LYS 92 1HB LYS 92 -12.404 -3.164 -39.713 732 HB3 LYS 92 2HB LYS 92 -13.886 -2.748 -38.842 733 HG2 LYS 92 1HG LYS 92 -12.571 -2.437 -36.748 734 HG3 LYS 92 2HG LYS 92 -11.077 -2.748 -37.640 735 HD2 LYS 92 1HD LYS 92 -13.027 -0.473 -38.209 736 HD3 LYS 92 2HD LYS 92 -11.523 -0.336 -37.285 737 HE2 LYS 92 1HE LYS 92 -10.227 -1.077 -39.281 738 HE3 LYS 92 2HE LYS 92 -11.725 -1.165 -40.215 739 HZ1 LYS 92 3HZ LYS 92 -10.633 1.311 -38.989 740 HZ2 LYS 92 1HZ LYS 92 -12.021 1.227 -39.849 741 HZ3 LYS 92 2HZ LYS 92 -10.588 0.944 -40.577 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -4.802 33.042 -13.214 2 H2 GLY 1 2H GLY 1 -5.268 32.663 -14.739 3 H3 GLY 1 3H GLY 1 -4.755 31.486 -13.721 4 HA2 GLY 1 1HA GLY 1 -7.205 33.096 -13.392 5 HA3 GLY 1 2HA GLY 1 -7.148 31.405 -13.921 6 H SER 2 H SER 2 -8.428 30.703 -12.168 7 HA SER 2 HA SER 2 -7.649 31.152 -9.394 8 HB2 SER 2 1HB SER 2 -9.540 29.605 -8.925 9 HB3 SER 2 2HB SER 2 -9.976 31.001 -9.921 10 HG SER 2 HG SER 2 -10.849 29.029 -10.736 11 H SER 3 H SER 3 -7.319 29.374 -7.862 12 HA SER 3 HA SER 3 -5.067 27.770 -8.522 13 HB2 SER 3 1HB SER 3 -6.940 27.537 -6.137 14 HB3 SER 3 2HB SER 3 -5.300 26.869 -6.260 15 HG SER 3 HG SER 3 -5.335 28.891 -5.160 16 H GLY 4 H GLY 4 -4.769 25.503 -8.510 17 HA2 GLY 4 1HA GLY 4 -6.909 23.565 -8.549 18 HA3 GLY 4 2HA GLY 4 -6.396 23.979 -10.185 19 H SER 5 H SER 5 -5.868 21.642 -10.206 20 HA SER 5 HA SER 5 -3.700 20.570 -8.633 21 HB2 SER 5 1HB SER 5 -3.822 18.636 -10.054 22 HB3 SER 5 2HB SER 5 -5.458 19.149 -9.623 23 HG SER 5 HG SER 5 -5.778 19.899 -11.669 24 H SER 6 H SER 6 -1.632 19.822 -9.371 25 HA SER 6 HA SER 6 -0.096 21.818 -10.679 26 HB2 SER 6 1HB SER 6 0.666 18.937 -10.074 27 HB3 SER 6 2HB SER 6 1.780 20.276 -10.417 28 HG SER 6 HG SER 6 1.511 19.905 -8.151 29 H GLY 7 H GLY 7 0.784 22.018 -12.678 30 HA2 GLY 7 1HA GLY 7 -0.335 20.525 -14.920 31 HA3 GLY 7 2HA GLY 7 0.775 21.896 -14.992 32 H LYS 8 H LYS 8 1.500 18.980 -13.147 33 HA LYS 8 HA LYS 8 4.055 18.657 -14.545 34 HB2 LYS 8 1HB LYS 8 2.734 17.229 -12.195 35 HB3 LYS 8 2HB LYS 8 4.312 16.760 -12.852 36 HG2 LYS 8 1HG LYS 8 5.220 18.985 -12.412 37 HG3 LYS 8 2HG LYS 8 3.662 19.515 -11.743 38 HD2 LYS 8 1HD LYS 8 3.847 17.792 -9.961 39 HD3 LYS 8 2HD LYS 8 5.405 17.266 -10.639 40 HE2 LYS 8 1HE LYS 8 6.325 19.550 -10.280 41 HE3 LYS 8 2HE LYS 8 4.782 20.065 -9.587 42 HZ1 LYS 8 3HZ LYS 8 6.366 19.455 -7.854 43 HZ2 LYS 8 1HZ LYS 8 6.542 17.950 -8.455 44 HZ3 LYS 8 2HZ LYS 8 5.111 18.416 -7.813 45 H ILE 9 H ILE 9 4.888 16.697 -15.272 46 HA ILE 9 HA ILE 9 3.002 14.748 -16.455 47 HB ILE 9 HB ILE 9 5.173 16.039 -18.142 48 HG12 ILE 9 1HG1 ILE 9 2.188 16.699 -18.175 49 HG13 ILE 9 2HG1 ILE 9 3.472 17.787 -17.631 50 HG21 ILE 9 1HG2 ILE 9 2.800 14.282 -18.838 51 HG22 ILE 9 2HG2 ILE 9 4.015 14.896 -19.984 52 HG23 ILE 9 3HG2 ILE 9 4.502 13.755 -18.753 53 HD11 ILE 9 3HD1 ILE 9 3.025 16.840 -20.460 54 HD12 ILE 9 1HD1 ILE 9 2.881 18.477 -19.795 55 HD13 ILE 9 2HD1 ILE 9 4.481 17.712 -19.901 56 H PHE 10 H PHE 10 3.768 12.757 -16.450 57 HA PHE 10 HA PHE 10 6.612 12.157 -15.725 58 HB2 PHE 10 1HB PHE 10 4.051 11.091 -14.459 59 HB3 PHE 10 2HB PHE 10 5.641 10.408 -14.195 60 HD1 PHE 10 1HD PHE 10 3.456 13.321 -13.471 61 HD2 PHE 10 2HD PHE 10 7.323 11.521 -12.820 62 HE1 PHE 10 1HE PHE 10 3.833 14.827 -11.542 63 HE2 PHE 10 2HE PHE 10 7.722 13.073 -10.927 64 HZ PHE 10 HZ PHE 10 5.977 14.720 -10.277 65 H THR 11 H THR 11 7.487 10.493 -16.939 66 HA THR 11 HA THR 11 5.651 9.037 -18.799 67 HB THR 11 HB THR 11 8.359 10.234 -19.440 68 HG1 THR 11 1HG THR 11 7.170 11.736 -20.586 69 HG21 THR 11 3HG2 THR 11 7.876 8.327 -20.892 70 HG22 THR 11 1HG2 THR 11 7.660 9.824 -21.802 71 HG23 THR 11 2HG2 THR 11 6.237 8.940 -21.208 72 H CYS 12 H CYS 12 5.954 6.941 -19.153 73 HA CYS 12 HA CYS 12 7.837 5.371 -17.586 74 HB2 CYS 12 1HB CYS 12 5.540 4.666 -18.043 75 HB3 CYS 12 2HB CYS 12 5.873 4.656 -19.788 76 H GLU 13 H GLU 13 9.802 4.696 -18.154 77 HA GLU 13 HA GLU 13 10.947 5.469 -20.740 78 HB2 GLU 13 1HB GLU 13 13.061 4.816 -19.828 79 HB3 GLU 13 2HB GLU 13 12.189 5.794 -18.651 80 HG2 GLU 13 1HG GLU 13 11.536 3.711 -17.428 81 HG3 GLU 13 2HG GLU 13 12.453 2.755 -18.598 82 H TYR 14 H TYR 14 9.233 2.741 -19.749 83 HA TYR 14 HA TYR 14 10.744 0.852 -21.495 84 HB2 TYR 14 1HB TYR 14 8.580 0.391 -19.442 85 HB3 TYR 14 2HB TYR 14 9.407 -0.862 -20.345 86 HD1 TYR 14 2HD TYR 14 11.828 -1.340 -19.936 87 HD2 TYR 14 1HD TYR 14 9.581 1.418 -17.493 88 HE1 TYR 14 2HE TYR 14 13.547 -1.527 -18.137 89 HE2 TYR 14 1HE TYR 14 11.302 1.228 -15.700 90 HH TYR 14 HH TYR 14 13.278 0.273 -15.049 91 H CYS 15 H CYS 15 7.535 2.369 -21.254 92 HA CYS 15 HA CYS 15 6.854 1.238 -23.921 93 HB2 CYS 15 1HB CYS 15 4.614 0.736 -23.251 94 HB3 CYS 15 2HB CYS 15 5.764 -0.137 -22.237 95 H ASN 16 H ASN 16 7.442 4.052 -22.411 96 HA ASN 16 HA ASN 16 7.055 6.202 -22.773 97 HB2 ASN 16 1HB ASN 16 7.791 5.371 -25.031 98 HB3 ASN 16 2HB ASN 16 6.101 5.423 -25.538 99 HD21 ASN 16 1HD2 ASN 16 8.585 7.542 -23.960 100 HD22 ASN 16 2HD2 ASN 16 8.094 8.973 -24.855 101 H LYS 17 H LYS 17 4.633 4.574 -21.766 102 HA LYS 17 HA LYS 17 2.330 6.244 -22.289 103 HB2 LYS 17 1HB LYS 17 3.119 4.432 -19.979 104 HB3 LYS 17 2HB LYS 17 1.648 5.415 -19.938 105 HG2 LYS 17 1HG LYS 17 0.854 4.350 -22.030 106 HG3 LYS 17 2HG LYS 17 2.292 3.312 -22.026 107 HD2 LYS 17 1HD LYS 17 1.613 2.567 -19.681 108 HD3 LYS 17 2HD LYS 17 0.100 3.451 -19.887 109 HE2 LYS 17 1HE LYS 17 1.096 1.136 -21.609 110 HE3 LYS 17 2HE LYS 17 -0.090 1.020 -20.302 111 HZ1 LYS 17 3HZ LYS 17 -0.469 2.577 -22.806 112 HZ2 LYS 17 1HZ LYS 17 -1.554 2.499 -21.583 113 HZ3 LYS 17 2HZ LYS 17 -1.197 1.165 -22.449 114 H VAL 18 H VAL 18 1.447 7.847 -21.080 115 HA VAL 18 HA VAL 18 3.323 9.497 -19.424 116 HB VAL 18 HB VAL 18 1.360 10.568 -21.476 117 HG11 VAL 18 1HG1 VAL 18 2.563 12.726 -21.036 118 HG12 VAL 18 2HG1 VAL 18 1.689 12.152 -19.619 119 HG13 VAL 18 3HG1 VAL 18 3.451 11.932 -19.723 120 HG21 VAL 18 3HG2 VAL 18 4.405 10.433 -21.546 121 HG22 VAL 18 1HG2 VAL 18 3.296 9.539 -22.610 122 HG23 VAL 18 2HG2 VAL 18 3.383 11.296 -22.712 123 H PHE 19 H PHE 19 2.589 10.428 -17.654 124 HA PHE 19 HA PHE 19 -0.230 10.045 -16.754 125 HB2 PHE 19 1HB PHE 19 2.324 9.476 -15.192 126 HB3 PHE 19 2HB PHE 19 0.687 9.274 -14.604 127 HD1 PHE 19 2HD PHE 19 -0.745 7.392 -15.458 128 HD2 PHE 19 1HD PHE 19 3.367 7.839 -16.671 129 HE1 PHE 19 2HE PHE 19 -0.753 5.072 -16.345 130 HE2 PHE 19 1HE PHE 19 3.356 5.519 -17.556 131 HZ PHE 19 HZ PHE 19 1.285 4.136 -17.421 132 H LYS 20 H LYS 20 -0.968 11.549 -15.191 133 HA LYS 20 HA LYS 20 0.279 14.204 -15.261 134 HB2 LYS 20 1HB LYS 20 -2.139 13.863 -15.479 135 HB3 LYS 20 2HB LYS 20 -2.211 13.134 -13.872 136 HG2 LYS 20 1HG LYS 20 -1.614 15.253 -12.818 137 HG3 LYS 20 2HG LYS 20 -1.339 16.013 -14.401 138 HD2 LYS 20 1HD LYS 20 -3.694 15.846 -14.968 139 HD3 LYS 20 2HD LYS 20 -4.002 14.782 -13.596 140 HE2 LYS 20 1HE LYS 20 -4.880 16.911 -13.031 141 HE3 LYS 20 2HE LYS 20 -3.468 16.620 -12.019 142 HZ1 LYS 20 3HZ LYS 20 -3.634 18.875 -12.962 143 HZ2 LYS 20 1HZ LYS 20 -3.404 18.291 -14.473 144 HZ3 LYS 20 2HZ LYS 20 -2.211 18.172 -13.337 145 H PHE 21 H PHE 21 0.230 11.577 -12.958 146 HA PHE 21 HA PHE 21 1.615 13.275 -10.919 147 HB2 PHE 21 1HB PHE 21 -0.440 11.094 -10.433 148 HB3 PHE 21 2HB PHE 21 0.429 11.992 -9.201 149 HD1 PHE 21 2HD PHE 21 0.089 14.539 -9.043 150 HD2 PHE 21 1HD PHE 21 -2.508 11.934 -11.296 151 HE1 PHE 21 2HE PHE 21 -1.724 16.232 -8.914 152 HE2 PHE 21 1HE PHE 21 -4.322 13.623 -11.155 153 HZ PHE 21 HZ PHE 21 -3.940 15.766 -9.948 154 H LYS 22 H LYS 22 3.138 12.331 -9.611 155 HA LYS 22 HA LYS 22 4.831 10.362 -10.748 156 HB2 LYS 22 1HB LYS 22 5.410 12.218 -9.104 157 HB3 LYS 22 2HB LYS 22 4.737 11.216 -7.818 158 HG2 LYS 22 1HG LYS 22 6.398 9.441 -8.328 159 HG3 LYS 22 2HG LYS 22 7.022 10.409 -9.678 160 HD2 LYS 22 1HD LYS 22 7.655 12.212 -8.073 161 HD3 LYS 22 2HD LYS 22 7.057 11.209 -6.732 162 HE2 LYS 22 1HE LYS 22 8.694 9.432 -7.353 163 HE3 LYS 22 2HE LYS 22 9.289 10.449 -8.672 164 HZ1 LYS 22 3HZ LYS 22 10.683 10.659 -6.694 165 HZ2 LYS 22 1HZ LYS 22 9.424 11.156 -5.785 166 HZ3 LYS 22 2HZ LYS 22 9.974 12.095 -7.005 167 H HIS 23 H HIS 23 2.382 10.010 -8.160 168 HA HIS 23 HA HIS 23 3.037 7.320 -7.491 169 HB2 HIS 23 1HB HIS 23 0.826 7.265 -6.406 170 HB3 HIS 23 2HB HIS 23 1.804 8.653 -5.965 171 HD1 HIS 23 1HD HIS 23 0.605 10.961 -6.148 172 HD2 HIS 23 2HD HIS 23 -1.288 7.829 -8.226 173 HE1 HIS 23 1HE HIS 23 -1.619 11.892 -6.975 174 H SER 24 H SER 24 0.881 8.569 -10.049 175 HA SER 24 HA SER 24 -0.245 6.038 -10.802 176 HB2 SER 24 1HB SER 24 0.239 8.514 -12.499 177 HB3 SER 24 2HB SER 24 -0.831 7.154 -12.899 178 HG SER 24 HG SER 24 -2.038 8.823 -11.958 179 H LEU 25 H LEU 25 2.681 7.797 -11.958 180 HA LEU 25 HA LEU 25 3.451 5.722 -13.812 181 HB2 LEU 25 1HB LEU 25 4.271 7.988 -14.093 182 HB3 LEU 25 2HB LEU 25 5.020 7.968 -12.496 183 HG LEU 25 HG LEU 25 6.588 6.187 -13.241 184 HD11 LEU 25 1HD1 LEU 25 5.218 5.131 -15.034 185 HD12 LEU 25 2HD1 LEU 25 6.802 5.629 -15.619 186 HD13 LEU 25 3HD1 LEU 25 5.373 6.609 -16.009 187 HD21 LEU 25 3HD2 LEU 25 7.216 8.567 -13.452 188 HD22 LEU 25 1HD2 LEU 25 6.595 8.556 -15.123 189 HD23 LEU 25 2HD2 LEU 25 7.978 7.542 -14.680 190 H GLN 26 H GLN 26 4.425 6.383 -10.390 191 HA GLN 26 HA GLN 26 6.298 4.268 -10.160 192 HB2 GLN 26 1HB GLN 26 4.486 5.650 -8.149 193 HB3 GLN 26 2HB GLN 26 5.604 4.390 -7.658 194 HG2 GLN 26 1HG GLN 26 6.471 6.927 -9.123 195 HG3 GLN 26 2HG GLN 26 6.470 6.742 -7.372 196 HE21 GLN 26 1HE2 GLN 26 7.909 4.979 -6.440 197 HE22 GLN 26 2HE2 GLN 26 9.356 4.576 -7.353 198 H ALA 27 H ALA 27 2.739 4.141 -9.624 199 HA ALA 27 HA ALA 27 2.763 1.333 -8.936 200 HB1 ALA 27 1HB ALA 27 1.017 2.890 -8.216 201 HB2 ALA 27 2HB ALA 27 0.522 3.140 -9.912 202 HB3 ALA 27 3HB ALA 27 0.336 1.539 -9.154 203 H HIS 28 H HIS 28 2.455 3.069 -12.047 204 HA HIS 28 HA HIS 28 1.802 0.744 -13.626 205 HB2 HIS 28 1HB HIS 28 1.369 2.929 -14.514 206 HB3 HIS 28 2HB HIS 28 3.041 3.437 -14.285 207 HD1 HIS 28 1HD HIS 28 1.148 0.795 -16.409 208 HD2 HIS 28 2HD HIS 28 4.711 3.020 -16.233 209 HE1 HIS 28 1HE HIS 28 2.432 0.212 -18.515 210 H LEU 29 H LEU 29 4.943 2.273 -12.774 211 HA LEU 29 HA LEU 29 6.596 0.697 -14.405 212 HB2 LEU 29 1HB LEU 29 7.060 2.158 -11.790 213 HB3 LEU 29 2HB LEU 29 8.368 1.301 -12.590 214 HG LEU 29 HG LEU 29 6.769 3.502 -13.958 215 HD11 LEU 29 1HD1 LEU 29 7.987 4.390 -12.004 216 HD12 LEU 29 2HD1 LEU 29 8.737 4.928 -13.514 217 HD13 LEU 29 3HD1 LEU 29 9.482 3.617 -12.572 218 HD21 LEU 29 3HD2 LEU 29 9.407 2.161 -14.656 219 HD22 LEU 29 1HD2 LEU 29 8.718 3.572 -15.488 220 HD23 LEU 29 2HD2 LEU 29 7.884 2.027 -15.563 221 H ARG 30 H ARG 30 5.059 -0.331 -11.447 222 HA ARG 30 HA ARG 30 6.696 -2.454 -10.562 223 HB2 ARG 30 1HB ARG 30 3.663 -2.447 -10.833 224 HB3 ARG 30 2HB ARG 30 4.614 -3.513 -9.794 225 HG2 ARG 30 1HG ARG 30 5.285 -1.634 -8.378 226 HG3 ARG 30 2HG ARG 30 4.430 -0.495 -9.442 227 HD2 ARG 30 1HD ARG 30 2.318 -1.766 -9.064 228 HD3 ARG 30 2HD ARG 30 3.162 -2.801 -7.902 229 HE ARG 30 HE ARG 30 3.651 -0.401 -6.806 230 HH11 ARG 30 2HH1 ARG 30 0.584 -1.622 -8.053 231 HH12 ARG 30 1HH1 ARG 30 -0.335 -0.707 -6.891 232 HH21 ARG 30 2HH2 ARG 30 2.385 0.762 -5.392 233 HH22 ARG 30 1HH2 ARG 30 0.656 0.617 -5.448 234 H ILE 31 H ILE 31 4.673 -2.408 -13.498 235 HA ILE 31 HA ILE 31 4.821 -5.270 -13.898 236 HB ILE 31 HB ILE 31 3.775 -4.996 -15.920 237 HG12 ILE 31 1HG1 ILE 31 4.509 -2.050 -15.943 238 HG13 ILE 31 2HG1 ILE 31 5.083 -3.315 -17.027 239 HG21 ILE 31 1HG2 ILE 31 2.598 -2.792 -14.191 240 HG22 ILE 31 2HG2 ILE 31 1.750 -3.889 -15.295 241 HG23 ILE 31 3HG2 ILE 31 2.472 -4.528 -13.819 242 HD11 ILE 31 3HD1 ILE 31 3.434 -2.076 -18.209 243 HD12 ILE 31 1HD1 ILE 31 2.739 -3.665 -17.821 244 HD13 ILE 31 2HD1 ILE 31 2.261 -2.225 -16.885 245 H HIS 32 H HIS 32 6.885 -2.570 -14.832 246 HA HIS 32 HA HIS 32 8.462 -4.199 -16.722 247 HB2 HIS 32 1HB HIS 32 8.782 -1.304 -15.862 248 HB3 HIS 32 2HB HIS 32 9.591 -2.101 -17.202 249 HD1 HIS 32 1HD HIS 32 7.656 -3.037 -19.185 250 HD2 HIS 32 2HD HIS 32 6.842 0.167 -16.601 251 HE1 HIS 32 1HE HIS 32 5.905 -1.622 -20.368 252 H THR 33 H THR 33 8.890 -2.709 -13.472 253 HA THR 33 HA THR 33 11.740 -3.246 -13.392 254 HB THR 33 HB THR 33 11.592 -2.609 -11.012 255 HG1 THR 33 1HG THR 33 9.612 -1.825 -10.253 256 HG21 THR 33 3HG2 THR 33 10.967 -0.269 -11.373 257 HG22 THR 33 1HG2 THR 33 10.121 -0.692 -12.876 258 HG23 THR 33 2HG2 THR 33 11.884 -0.878 -12.760 259 H ASN 34 H ASN 34 12.889 -4.859 -12.406 260 HA ASN 34 HA ASN 34 11.335 -7.329 -11.758 261 HB2 ASN 34 1HB ASN 34 13.989 -6.913 -13.167 262 HB3 ASN 34 2HB ASN 34 13.400 -8.492 -12.659 263 HD21 ASN 34 1HD2 ASN 34 13.945 -7.731 -15.383 264 HD22 ASN 34 2HD2 ASN 34 12.408 -7.869 -16.224 265 H GLU 35 H GLU 35 12.506 -5.144 -9.877 266 HA GLU 35 HA GLU 35 14.292 -6.549 -8.096 267 HB2 GLU 35 1HB GLU 35 13.613 -4.802 -6.465 268 HB3 GLU 35 2HB GLU 35 14.191 -4.160 -8.000 269 HG2 GLU 35 1HG GLU 35 12.024 -3.488 -8.694 270 HG3 GLU 35 2HG GLU 35 11.215 -4.529 -7.532 271 H LYS 36 H LYS 36 10.887 -6.844 -8.603 272 HA LYS 36 HA LYS 36 10.596 -8.643 -6.224 273 HB2 LYS 36 1HB LYS 36 8.575 -6.704 -7.387 274 HB3 LYS 36 2HB LYS 36 8.199 -7.976 -6.219 275 HG2 LYS 36 1HG LYS 36 9.862 -6.972 -4.630 276 HG3 LYS 36 2HG LYS 36 10.111 -5.642 -5.774 277 HD2 LYS 36 1HD LYS 36 7.660 -5.084 -5.605 278 HD3 LYS 36 2HD LYS 36 7.486 -6.399 -4.440 279 HE2 LYS 36 1HE LYS 36 7.655 -4.542 -3.066 280 HE3 LYS 36 2HE LYS 36 9.281 -5.229 -3.024 281 HZ1 LYS 36 3HZ LYS 36 9.317 -2.817 -3.337 282 HZ2 LYS 36 1HZ LYS 36 8.430 -2.918 -4.700 283 HZ3 LYS 36 2HZ LYS 36 9.955 -3.504 -4.665 284 HA PRO 37 HA PRO 37 10.227 -11.145 -9.978 285 HB2 PRO 37 1HB PRO 37 10.541 -13.653 -8.866 286 HB3 PRO 37 2HB PRO 37 11.864 -12.497 -9.162 287 HG2 PRO 37 1HG PRO 37 10.366 -12.963 -6.576 288 HG3 PRO 37 2HG PRO 37 12.138 -12.892 -6.826 289 HD2 PRO 37 1HD PRO 37 10.763 -10.737 -5.957 290 HD3 PRO 37 2HD PRO 37 12.085 -10.542 -7.142 291 H TYR 38 H TYR 38 8.281 -11.877 -7.087 292 HA TYR 38 HA TYR 38 6.477 -13.612 -8.599 293 HB2 TYR 38 1HB TYR 38 6.417 -12.768 -5.689 294 HB3 TYR 38 2HB TYR 38 5.324 -13.917 -6.438 295 HD1 TYR 38 1HD TYR 38 6.375 -15.927 -7.733 296 HD2 TYR 38 2HD TYR 38 8.481 -13.556 -4.830 297 HE1 TYR 38 1HE TYR 38 8.032 -17.768 -7.437 298 HE2 TYR 38 2HE TYR 38 10.134 -15.404 -4.504 299 HH TYR 38 HH TYR 38 9.932 -18.468 -6.353 300 H LYS 39 H LYS 39 5.959 -12.049 -10.122 301 HA LYS 39 HA LYS 39 4.201 -9.775 -9.574 302 HB2 LYS 39 1HB LYS 39 5.099 -11.177 -12.109 303 HB3 LYS 39 2HB LYS 39 4.032 -9.767 -12.107 304 HG2 LYS 39 1HG LYS 39 5.695 -8.338 -11.184 305 HG3 LYS 39 2HG LYS 39 6.737 -9.692 -10.720 306 HD2 LYS 39 1HD LYS 39 7.120 -10.259 -13.078 307 HD3 LYS 39 2HD LYS 39 6.104 -8.908 -13.606 308 HE2 LYS 39 1HE LYS 39 8.454 -8.493 -11.722 309 HE3 LYS 39 2HE LYS 39 8.728 -8.642 -13.463 310 HZ1 LYS 39 3HZ LYS 39 8.473 -6.338 -12.730 311 HZ2 LYS 39 1HZ LYS 39 6.948 -6.588 -12.252 312 HZ3 LYS 39 2HZ LYS 39 7.341 -6.732 -13.849 313 H CYS 40 H CYS 40 2.049 -9.581 -9.885 314 HA CYS 40 HA CYS 40 0.364 -11.928 -9.814 315 HB2 CYS 40 1HB CYS 40 -0.117 -9.956 -8.545 316 HB3 CYS 40 2HB CYS 40 -0.200 -8.963 -10.015 317 HA PRO 41 HA PRO 41 -0.223 -12.082 -14.318 318 HB2 PRO 41 1HB PRO 41 -2.148 -14.007 -14.459 319 HB3 PRO 41 2HB PRO 41 -0.453 -14.369 -14.022 320 HG2 PRO 41 1HG PRO 41 -2.806 -13.960 -12.150 321 HG3 PRO 41 2HG PRO 41 -1.599 -15.281 -12.139 322 HD2 PRO 41 1HD PRO 41 -1.400 -13.055 -10.539 323 HD3 PRO 41 2HD PRO 41 0.041 -13.896 -11.187 324 H GLN 42 H GLN 42 -2.434 -10.881 -11.972 325 HA GLN 42 HA GLN 42 -4.450 -10.102 -14.046 326 HB2 GLN 42 1HB GLN 42 -4.761 -10.809 -11.112 327 HB3 GLN 42 2HB GLN 42 -6.041 -10.090 -12.097 328 HG2 GLN 42 1HG GLN 42 -5.956 -11.992 -13.659 329 HG3 GLN 42 2HG GLN 42 -4.663 -12.737 -12.723 330 HE21 GLN 42 1HE2 GLN 42 -5.159 -13.653 -10.604 331 HE22 GLN 42 2HE2 GLN 42 -6.835 -13.986 -10.186 332 H CYS 43 H CYS 43 -2.341 -8.679 -11.520 333 HA CYS 43 HA CYS 43 -3.211 -6.036 -12.514 334 HB2 CYS 43 1HB CYS 43 -3.651 -5.149 -10.322 335 HB3 CYS 43 2HB CYS 43 -4.689 -6.534 -10.609 336 H SER 44 H SER 44 -1.824 -4.373 -10.886 337 HA SER 44 HA SER 44 0.875 -4.699 -11.912 338 HB2 SER 44 1HB SER 44 1.267 -2.473 -11.084 339 HB3 SER 44 2HB SER 44 -0.302 -2.534 -11.895 340 HG SER 44 HG SER 44 -0.777 -1.522 -10.048 341 H TYR 45 H TYR 45 -0.486 -5.980 -9.133 342 HA TYR 45 HA TYR 45 1.383 -5.545 -7.087 343 HB2 TYR 45 1HB TYR 45 -0.749 -6.600 -6.728 344 HB3 TYR 45 2HB TYR 45 -0.360 -7.912 -7.822 345 HD1 TYR 45 1HD TYR 45 1.444 -9.629 -7.113 346 HD2 TYR 45 2HD TYR 45 -0.111 -6.634 -4.415 347 HE1 TYR 45 1HE TYR 45 2.315 -10.916 -5.178 348 HE2 TYR 45 2HE TYR 45 0.742 -7.947 -2.482 349 HH TYR 45 HH TYR 45 1.832 -9.839 -1.805 350 H ALA 46 H ALA 46 3.260 -6.385 -6.483 351 HA ALA 46 HA ALA 46 4.312 -8.854 -7.600 352 HB1 ALA 46 1HB ALA 46 5.975 -6.304 -7.782 353 HB2 ALA 46 2HB ALA 46 6.488 -7.946 -8.241 354 HB3 ALA 46 3HB ALA 46 5.216 -7.126 -9.161 355 H SER 47 H SER 47 5.825 -9.891 -6.218 356 HA SER 47 HA SER 47 6.697 -8.499 -3.751 357 HB2 SER 47 1HB SER 47 4.462 -9.625 -3.340 358 HB3 SER 47 2HB SER 47 5.280 -11.179 -3.582 359 HG SER 47 HG SER 47 5.918 -9.147 -1.660 360 H ALA 48 H ALA 48 8.066 -10.006 -2.382 361 HA ALA 48 HA ALA 48 10.069 -11.414 -4.077 362 HB1 ALA 48 1HB ALA 48 10.847 -9.465 -2.780 363 HB2 ALA 48 2HB ALA 48 10.302 -10.247 -1.278 364 HB3 ALA 48 3HB ALA 48 11.615 -10.966 -2.234 365 H ILE 49 H ILE 49 7.407 -12.279 -2.292 366 HA ILE 49 HA ILE 49 8.553 -14.960 -1.622 367 HB ILE 49 HB ILE 49 6.535 -13.416 0.045 368 HG12 ILE 49 1HG1 ILE 49 9.471 -14.032 0.610 369 HG13 ILE 49 2HG1 ILE 49 8.781 -12.438 0.293 370 HG21 ILE 49 1HG2 ILE 49 6.725 -15.295 1.632 371 HG22 ILE 49 2HG2 ILE 49 6.213 -15.901 0.077 372 HG23 ILE 49 3HG2 ILE 49 7.907 -16.100 0.574 373 HD11 ILE 49 3HD1 ILE 49 7.379 -12.663 2.361 374 HD12 ILE 49 1HD1 ILE 49 8.303 -14.138 2.754 375 HD13 ILE 49 2HD1 ILE 49 9.132 -12.582 2.631 376 H LYS 50 H LYS 50 7.522 -16.600 -2.548 377 HA LYS 50 HA LYS 50 5.362 -16.230 -4.383 378 HB2 LYS 50 1HB LYS 50 7.211 -17.977 -4.432 379 HB3 LYS 50 2HB LYS 50 6.325 -18.867 -3.193 380 HG2 LYS 50 1HG LYS 50 4.374 -19.048 -4.730 381 HG3 LYS 50 2HG LYS 50 5.249 -18.104 -5.952 382 HD2 LYS 50 1HD LYS 50 7.001 -19.868 -6.051 383 HD3 LYS 50 2HD LYS 50 6.117 -20.807 -4.826 384 HE2 LYS 50 1HE LYS 50 4.147 -20.918 -6.346 385 HE3 LYS 50 2HE LYS 50 5.034 -19.992 -7.564 386 HZ1 LYS 50 3HZ LYS 50 5.159 -22.379 -7.999 387 HZ2 LYS 50 1HZ LYS 50 5.832 -22.670 -6.544 388 HZ3 LYS 50 2HZ LYS 50 6.654 -21.817 -7.670 389 H ALA 51 H ALA 51 5.362 -17.534 -1.069 390 HA ALA 51 HA ALA 51 2.600 -18.234 -0.941 391 HB1 ALA 51 1HB ALA 51 4.482 -17.297 1.274 392 HB2 ALA 51 2HB ALA 51 2.949 -18.163 1.493 393 HB3 ALA 51 3HB ALA 51 4.307 -18.969 0.687 394 H ASN 52 H ASN 52 4.202 -15.054 -0.563 395 HA ASN 52 HA ASN 52 1.840 -13.713 0.431 396 HB2 ASN 52 1HB ASN 52 4.271 -12.970 0.681 397 HB3 ASN 52 2HB ASN 52 4.211 -12.466 -1.012 398 HD21 ASN 52 1HD2 ASN 52 4.557 -10.283 -0.464 399 HD22 ASN 52 2HD2 ASN 52 3.357 -9.334 0.412 400 H LEU 53 H LEU 53 3.228 -14.173 -2.872 401 HA LEU 53 HA LEU 53 1.149 -12.813 -4.270 402 HB2 LEU 53 1HB LEU 53 3.228 -13.385 -5.355 403 HB3 LEU 53 2HB LEU 53 2.975 -15.106 -5.064 404 HG LEU 53 HG LEU 53 1.015 -15.096 -6.588 405 HD11 LEU 53 1HD1 LEU 53 0.355 -12.696 -6.387 406 HD12 LEU 53 2HD1 LEU 53 0.591 -13.201 -8.059 407 HD13 LEU 53 3HD1 LEU 53 1.844 -12.236 -7.247 408 HD21 LEU 53 3HD2 LEU 53 2.254 -14.929 -8.655 409 HD22 LEU 53 1HD2 LEU 53 3.291 -15.640 -7.405 410 HD23 LEU 53 2HD2 LEU 53 3.500 -13.938 -7.881 411 H ASN 54 H ASN 54 1.278 -16.230 -3.086 412 HA ASN 54 HA ASN 54 -1.267 -16.971 -4.181 413 HB2 ASN 54 1HB ASN 54 0.380 -18.591 -3.341 414 HB3 ASN 54 2HB ASN 54 0.167 -17.999 -1.696 415 HD21 ASN 54 1HD2 ASN 54 -1.503 -18.889 -0.458 416 HD22 ASN 54 2HD2 ASN 54 -2.702 -19.976 -1.139 417 H VAL 55 H VAL 55 -0.479 -15.524 -0.990 418 HA VAL 55 HA VAL 55 -3.202 -15.299 -0.070 419 HB VAL 55 HB VAL 55 -0.630 -13.901 0.708 420 HG11 VAL 55 1HG1 VAL 55 -2.368 -12.385 1.448 421 HG12 VAL 55 2HG1 VAL 55 -3.333 -13.735 2.107 422 HG13 VAL 55 3HG1 VAL 55 -1.778 -13.282 2.841 423 HG21 VAL 55 3HG2 VAL 55 -2.289 -16.062 2.072 424 HG22 VAL 55 1HG2 VAL 55 -0.813 -16.348 1.135 425 HG23 VAL 55 2HG2 VAL 55 -0.727 -15.409 2.629 426 H HIS 56 H HIS 56 -1.321 -13.293 -2.207 427 HA HIS 56 HA HIS 56 -3.313 -11.150 -2.358 428 HB2 HIS 56 1HB HIS 56 -1.013 -10.633 -2.846 429 HB3 HIS 56 2HB HIS 56 -0.930 -11.875 -4.095 430 HD1 HIS 56 1HD HIS 56 -2.946 -8.618 -3.471 431 HD2 HIS 56 2HD HIS 56 -1.646 -11.219 -6.509 432 HE1 HIS 56 1HE HIS 56 -3.829 -7.647 -5.627 433 H LEU 57 H LEU 57 -2.595 -13.995 -4.468 434 HA LEU 57 HA LEU 57 -4.625 -13.480 -6.404 435 HB2 LEU 57 1HB LEU 57 -3.288 -15.979 -5.386 436 HB3 LEU 57 2HB LEU 57 -4.465 -16.054 -6.686 437 HG LEU 57 HG LEU 57 -1.996 -14.273 -6.865 438 HD11 LEU 57 1HD1 LEU 57 -2.359 -17.150 -7.799 439 HD12 LEU 57 2HD1 LEU 57 -1.292 -16.595 -6.490 440 HD13 LEU 57 3HD1 LEU 57 -0.964 -16.100 -8.160 441 HD21 LEU 57 3HD2 LEU 57 -2.423 -14.550 -9.301 442 HD22 LEU 57 1HD2 LEU 57 -3.759 -13.736 -8.479 443 HD23 LEU 57 2HD2 LEU 57 -3.903 -15.452 -8.937 444 H ARG 58 H ARG 58 -4.850 -15.061 -3.254 445 HA ARG 58 HA ARG 58 -7.591 -15.885 -3.319 446 HB2 ARG 58 1HB ARG 58 -5.809 -14.903 -1.057 447 HB3 ARG 58 2HB ARG 58 -7.451 -15.493 -0.792 448 HG2 ARG 58 1HG ARG 58 -6.901 -17.688 -1.693 449 HG3 ARG 58 2HG ARG 58 -5.289 -17.152 -2.145 450 HD2 ARG 58 1HD ARG 58 -5.057 -18.399 -0.137 451 HD3 ARG 58 2HD ARG 58 -4.780 -16.720 0.287 452 HE ARG 58 HE ARG 58 -7.159 -18.405 0.945 453 HH11 ARG 58 2HH1 ARG 58 -5.610 -15.295 1.460 454 HH12 ARG 58 1HH1 ARG 58 -6.630 -14.929 2.824 455 HH21 ARG 58 2HH2 ARG 58 -8.412 -17.856 2.672 456 HH22 ARG 58 1HH2 ARG 58 -8.173 -16.335 3.478 457 H LYS 59 H LYS 59 -6.421 -12.637 -3.425 458 HA LYS 59 HA LYS 59 -9.004 -11.469 -2.536 459 HB2 LYS 59 1HB LYS 59 -6.510 -10.031 -3.517 460 HB3 LYS 59 2HB LYS 59 -7.919 -9.330 -2.719 461 HG2 LYS 59 1HG LYS 59 -7.403 -10.780 -0.703 462 HG3 LYS 59 2HG LYS 59 -5.884 -11.236 -1.509 463 HD2 LYS 59 1HD LYS 59 -5.126 -8.904 -1.504 464 HD3 LYS 59 2HD LYS 59 -6.688 -8.375 -0.858 465 HE2 LYS 59 1HE LYS 59 -5.175 -8.425 0.988 466 HE3 LYS 59 2HE LYS 59 -6.313 -9.759 1.184 467 HZ1 LYS 59 3HZ LYS 59 -3.517 -9.978 0.202 468 HZ2 LYS 59 1HZ LYS 59 -4.554 -11.252 0.267 469 HZ3 LYS 59 2HZ LYS 59 -4.077 -10.498 1.641 470 H HIS 60 H HIS 60 -7.639 -12.536 -5.495 471 HA HIS 60 HA HIS 60 -9.257 -10.747 -7.186 472 HB2 HIS 60 1HB HIS 60 -7.344 -13.009 -7.786 473 HB3 HIS 60 2HB HIS 60 -8.404 -12.325 -9.016 474 HD1 HIS 60 1HD HIS 60 -8.166 -9.581 -9.403 475 HD2 HIS 60 2HD HIS 60 -5.070 -11.655 -7.448 476 HE1 HIS 60 1HE HIS 60 -6.147 -8.057 -9.520 477 H THR 61 H THR 61 -10.984 -11.549 -5.556 478 HA THR 61 HA THR 61 -12.695 -13.618 -6.880 479 HB THR 61 HB THR 61 -13.539 -14.162 -4.591 480 HG1 THR 61 1HG THR 61 -12.221 -13.467 -2.851 481 HG21 THR 61 3HG2 THR 61 -11.650 -15.507 -3.871 482 HG22 THR 61 1HG2 THR 61 -10.525 -14.542 -4.850 483 HG23 THR 61 2HG2 THR 61 -11.756 -15.550 -5.639 484 H GLY 62 H GLY 62 -12.509 -10.482 -6.820 485 HA2 GLY 62 1HA GLY 62 -14.821 -9.469 -5.508 486 HA3 GLY 62 2HA GLY 62 -13.883 -8.658 -6.761 487 H GLU 63 H GLU 63 -14.740 -11.267 -8.434 488 HA GLU 63 HA GLU 63 -17.567 -10.488 -8.988 489 HB2 GLU 63 1HB GLU 63 -16.046 -9.711 -10.819 490 HB3 GLU 63 2HB GLU 63 -15.564 -11.395 -11.094 491 HG2 GLU 63 1HG GLU 63 -17.868 -12.002 -11.672 492 HG3 GLU 63 2HG GLU 63 -18.436 -10.388 -11.238 493 H LYS 64 H LYS 64 -18.932 -12.041 -8.650 494 HA LYS 64 HA LYS 64 -18.237 -14.877 -9.170 495 HB2 LYS 64 1HB LYS 64 -19.649 -13.899 -6.651 496 HB3 LYS 64 2HB LYS 64 -19.483 -15.585 -7.159 497 HG2 LYS 64 1HG LYS 64 -16.956 -15.296 -7.014 498 HG3 LYS 64 2HG LYS 64 -17.250 -13.692 -6.334 499 HD2 LYS 64 1HD LYS 64 -16.920 -15.046 -4.446 500 HD3 LYS 64 2HD LYS 64 -18.676 -14.854 -4.536 501 HE2 LYS 64 1HE LYS 64 -18.714 -17.096 -5.799 502 HE3 LYS 64 2HE LYS 64 -16.999 -17.253 -5.402 503 HZ1 LYS 64 3HZ LYS 64 -18.337 -18.402 -3.770 504 HZ2 LYS 64 1HZ LYS 64 -19.242 -17.090 -3.469 505 HZ3 LYS 64 2HZ LYS 64 -17.656 -17.111 -3.022 506 H PHE 65 H PHE 65 -19.939 -16.123 -9.802 507 HA PHE 65 HA PHE 65 -22.339 -14.715 -10.852 508 HB2 PHE 65 1HB PHE 65 -21.218 -17.481 -11.451 509 HB3 PHE 65 2HB PHE 65 -22.593 -16.715 -12.245 510 HD1 PHE 65 1HD PHE 65 -18.904 -16.684 -11.898 511 HD2 PHE 65 2HD PHE 65 -22.304 -14.861 -13.827 512 HE1 PHE 65 1HE PHE 65 -17.379 -15.473 -13.445 513 HE2 PHE 65 2HE PHE 65 -20.778 -13.690 -15.401 514 HZ PHE 65 HZ PHE 65 -18.321 -14.001 -15.216 515 H ALA 66 H ALA 66 -24.330 -15.055 -9.982 516 HA ALA 66 HA ALA 66 -24.452 -16.760 -7.540 517 HB1 ALA 66 1HB ALA 66 -25.918 -14.179 -8.201 518 HB2 ALA 66 2HB ALA 66 -25.961 -15.063 -6.662 519 HB3 ALA 66 3HB ALA 66 -24.452 -14.302 -7.206 520 H CYS 67 H CYS 67 -26.112 -18.048 -7.067 521 HA CYS 67 HA CYS 67 -27.858 -19.031 -9.128 522 HB2 CYS 67 1HB CYS 67 -26.786 -20.317 -7.300 523 HB3 CYS 67 2HB CYS 67 -27.829 -19.496 -6.127 524 H ASP 68 H ASP 68 -30.003 -18.864 -9.389 525 HA ASP 68 HA ASP 68 -31.395 -16.499 -8.246 526 HB2 ASP 68 1HB ASP 68 -31.272 -16.913 -10.727 527 HB3 ASP 68 2HB ASP 68 -32.247 -18.362 -10.489 528 H TYR 69 H TYR 69 -31.083 -19.772 -7.557 529 HA TYR 69 HA TYR 69 -33.878 -20.106 -6.534 530 HB2 TYR 69 1HB TYR 69 -31.857 -22.166 -7.396 531 HB3 TYR 69 2HB TYR 69 -33.514 -22.484 -6.908 532 HD1 TYR 69 1HD TYR 69 -35.402 -21.882 -8.409 533 HD2 TYR 69 2HD TYR 69 -31.292 -21.313 -9.591 534 HE1 TYR 69 1HE TYR 69 -36.118 -21.605 -10.778 535 HE2 TYR 69 2HE TYR 69 -32.010 -21.016 -11.955 536 HH TYR 69 HH TYR 69 -33.777 -20.888 -13.403 537 H CYS 70 H CYS 70 -30.517 -20.084 -5.545 538 HA CYS 70 HA CYS 70 -31.306 -20.374 -2.745 539 HB2 CYS 70 1HB CYS 70 -29.780 -22.100 -2.164 540 HB3 CYS 70 2HB CYS 70 -30.824 -22.689 -3.442 541 H SER 71 H SER 71 -28.797 -20.431 -1.588 542 HA SER 71 HA SER 71 -27.857 -17.684 -2.037 543 HB2 SER 71 1HB SER 71 -26.643 -18.050 0.090 544 HB3 SER 71 2HB SER 71 -28.382 -18.358 0.213 545 HG SER 71 HG SER 71 -27.124 -20.007 1.221 546 H PHE 72 H PHE 72 -26.942 -20.519 -3.494 547 HA PHE 72 HA PHE 72 -24.134 -20.629 -3.178 548 HB2 PHE 72 1HB PHE 72 -25.475 -22.430 -4.103 549 HB3 PHE 72 2HB PHE 72 -25.927 -21.439 -5.479 550 HD1 PHE 72 1HD PHE 72 -23.122 -23.309 -3.907 551 HD2 PHE 72 2HD PHE 72 -24.505 -21.201 -7.406 552 HE1 PHE 72 1HE PHE 72 -21.232 -24.244 -5.223 553 HE2 PHE 72 2HE PHE 72 -22.620 -22.142 -8.720 554 HZ PHE 72 HZ PHE 72 -20.984 -23.669 -7.630 555 H THR 73 H THR 73 -22.403 -19.738 -4.134 556 HA THR 73 HA THR 73 -22.663 -18.065 -6.545 557 HB THR 73 HB THR 73 -21.121 -16.351 -5.644 558 HG1 THR 73 1HG THR 73 -21.787 -17.395 -3.101 559 HG21 THR 73 3HG2 THR 73 -23.542 -15.870 -5.637 560 HG22 THR 73 1HG2 THR 73 -22.695 -15.080 -4.301 561 HG23 THR 73 2HG2 THR 73 -23.676 -16.531 -3.997 562 H CYS 74 H CYS 74 -20.894 -18.164 -7.915 563 HA CYS 74 HA CYS 74 -18.490 -19.708 -7.033 564 HB2 CYS 74 1HB CYS 74 -20.294 -21.194 -7.981 565 HB3 CYS 74 2HB CYS 74 -20.102 -20.361 -9.536 566 HG CYS 74 HG CYS 74 -18.881 -22.771 -9.424 567 H LEU 75 H LEU 75 -16.677 -19.604 -8.503 568 HA LEU 75 HA LEU 75 -16.239 -16.952 -9.652 569 HB2 LEU 75 1HB LEU 75 -14.580 -19.479 -9.311 570 HB3 LEU 75 2HB LEU 75 -14.000 -18.166 -10.303 571 HG LEU 75 HG LEU 75 -13.006 -18.126 -8.101 572 HD11 LEU 75 1HD1 LEU 75 -13.279 -15.783 -7.604 573 HD12 LEU 75 2HD1 LEU 75 -14.823 -15.713 -8.470 574 HD13 LEU 75 3HD1 LEU 75 -13.310 -16.007 -9.358 575 HD21 LEU 75 3HD2 LEU 75 -14.901 -19.005 -6.758 576 HD22 LEU 75 1HD2 LEU 75 -15.741 -17.449 -6.980 577 HD23 LEU 75 2HD2 LEU 75 -14.207 -17.516 -6.092 578 H SER 76 H SER 76 -17.598 -19.802 -10.939 579 HA SER 76 HA SER 76 -17.049 -18.919 -13.747 580 HB2 SER 76 1HB SER 76 -15.791 -20.897 -13.418 581 HB3 SER 76 2HB SER 76 -17.132 -21.711 -12.597 582 HG SER 76 HG SER 76 -16.728 -22.178 -14.943 583 H LYS 77 H LYS 77 -18.708 -18.514 -14.967 584 HA LYS 77 HA LYS 77 -21.469 -18.804 -14.146 585 HB2 LYS 77 1HB LYS 77 -20.407 -17.041 -15.683 586 HB3 LYS 77 2HB LYS 77 -20.409 -18.270 -16.951 587 HG2 LYS 77 1HG LYS 77 -22.891 -18.472 -16.711 588 HG3 LYS 77 2HG LYS 77 -22.850 -17.246 -15.425 589 HD2 LYS 77 1HD LYS 77 -21.933 -15.591 -17.034 590 HD3 LYS 77 2HD LYS 77 -21.972 -16.820 -18.318 591 HE2 LYS 77 1HE LYS 77 -24.434 -17.035 -18.025 592 HE3 LYS 77 2HE LYS 77 -24.392 -15.807 -16.754 593 HZ1 LYS 77 3HZ LYS 77 -25.007 -14.841 -18.896 594 HZ2 LYS 77 1HZ LYS 77 -23.620 -15.347 -19.589 595 HZ3 LYS 77 2HZ LYS 77 -23.581 -14.212 -18.413 596 H GLY 78 H GLY 78 -19.265 -20.799 -16.048 597 HA2 GLY 78 1HA GLY 78 -21.227 -22.646 -17.132 598 HA3 GLY 78 2HA GLY 78 -19.486 -22.920 -16.949 599 H HIS 79 H HIS 79 -19.139 -22.668 -14.189 600 HA HIS 79 HA HIS 79 -20.150 -25.144 -13.133 601 HB2 HIS 79 1HB HIS 79 -18.040 -23.942 -12.484 602 HB3 HIS 79 2HB HIS 79 -19.029 -22.791 -11.585 603 HD1 HIS 79 1HD HIS 79 -20.981 -25.177 -10.302 604 HD2 HIS 79 2HD HIS 79 -16.784 -24.974 -10.432 605 HE1 HIS 79 1HE HIS 79 -20.136 -26.621 -8.370 606 H LEU 80 H LEU 80 -21.302 -21.758 -12.786 607 HA LEU 80 HA LEU 80 -23.428 -22.361 -10.962 608 HB2 LEU 80 1HB LEU 80 -22.639 -20.070 -11.338 609 HB3 LEU 80 2HB LEU 80 -23.141 -20.148 -13.027 610 HG LEU 80 HG LEU 80 -25.525 -20.423 -12.302 611 HD11 LEU 80 1HD1 LEU 80 -24.401 -19.842 -9.523 612 HD12 LEU 80 2HD1 LEU 80 -25.165 -21.369 -10.039 613 HD13 LEU 80 3HD1 LEU 80 -26.117 -19.896 -9.980 614 HD21 LEU 80 3HD2 LEU 80 -24.562 -18.211 -12.868 615 HD22 LEU 80 1HD2 LEU 80 -24.198 -17.973 -11.141 616 HD23 LEU 80 2HD2 LEU 80 -25.879 -18.134 -11.689 617 H LYS 81 H LYS 81 -23.390 -22.279 -14.571 618 HA LYS 81 HA LYS 81 -26.120 -22.950 -14.955 619 HB2 LYS 81 1HB LYS 81 -24.431 -22.157 -16.686 620 HB3 LYS 81 2HB LYS 81 -23.757 -23.783 -16.694 621 HG2 LYS 81 1HG LYS 81 -25.197 -23.571 -18.575 622 HG3 LYS 81 2HG LYS 81 -25.986 -24.666 -17.436 623 HD2 LYS 81 1HD LYS 81 -27.534 -22.875 -16.732 624 HD3 LYS 81 2HD LYS 81 -26.609 -21.687 -17.660 625 HE2 LYS 81 1HE LYS 81 -28.509 -22.151 -18.976 626 HE3 LYS 81 2HE LYS 81 -27.158 -22.970 -19.761 627 HZ1 LYS 81 3HZ LYS 81 -29.187 -24.271 -18.021 628 HZ2 LYS 81 1HZ LYS 81 -27.929 -25.067 -18.704 629 HZ3 LYS 81 2HZ LYS 81 -29.093 -24.411 -19.643 630 H VAL 82 H VAL 82 -23.316 -25.115 -14.539 631 HA VAL 82 HA VAL 82 -24.794 -27.586 -14.628 632 HB VAL 82 HB VAL 82 -22.117 -26.868 -13.367 633 HG11 VAL 82 1HG1 VAL 82 -22.903 -28.887 -12.232 634 HG12 VAL 82 2HG1 VAL 82 -23.348 -29.625 -13.793 635 HG13 VAL 82 3HG1 VAL 82 -21.643 -29.314 -13.387 636 HG21 VAL 82 3HG2 VAL 82 -21.186 -28.004 -15.336 637 HG22 VAL 82 1HG2 VAL 82 -22.821 -28.373 -15.930 638 HG23 VAL 82 2HG2 VAL 82 -22.250 -26.698 -15.861 639 H HIS 83 H HIS 83 -23.909 -25.492 -11.810 640 HA HIS 83 HA HIS 83 -25.100 -27.094 -9.786 641 HB2 HIS 83 1HB HIS 83 -23.722 -25.260 -9.143 642 HB3 HIS 83 2HB HIS 83 -24.663 -24.105 -10.070 643 HD1 HIS 83 1HD HIS 83 -24.791 -25.948 -6.723 644 HD2 HIS 83 2HD HIS 83 -26.887 -23.106 -8.995 645 HE1 HIS 83 1HE HIS 83 -26.526 -24.958 -5.161 646 H ILE 84 H ILE 84 -26.629 -24.529 -11.820 647 HA ILE 84 HA ILE 84 -29.231 -24.839 -10.657 648 HB ILE 84 HB ILE 84 -28.336 -23.683 -13.314 649 HG12 ILE 84 1HG1 ILE 84 -29.302 -22.353 -10.730 650 HG13 ILE 84 2HG1 ILE 84 -27.609 -22.565 -11.145 651 HG21 ILE 84 1HG2 ILE 84 -30.605 -22.654 -13.448 652 HG22 ILE 84 2HG2 ILE 84 -30.691 -24.403 -13.540 653 HG23 ILE 84 3HG2 ILE 84 -31.103 -23.581 -12.013 654 HD11 ILE 84 3HD1 ILE 84 -27.934 -21.175 -13.191 655 HD12 ILE 84 1HD1 ILE 84 -29.594 -20.826 -12.640 656 HD13 ILE 84 2HD1 ILE 84 -28.213 -20.319 -11.661 657 H GLU 85 H GLU 85 -27.859 -26.313 -13.632 658 HA GLU 85 HA GLU 85 -30.123 -27.860 -14.375 659 HB2 GLU 85 1HB GLU 85 -27.134 -28.203 -14.788 660 HB3 GLU 85 2HB GLU 85 -28.311 -29.354 -15.438 661 HG2 GLU 85 1HG GLU 85 -29.433 -27.629 -16.707 662 HG3 GLU 85 2HG GLU 85 -28.419 -26.370 -16.019 663 H ARG 86 H ARG 86 -27.605 -28.641 -11.970 664 HA ARG 86 HA ARG 86 -28.616 -31.406 -11.673 665 HB2 ARG 86 1HB ARG 86 -26.201 -29.979 -10.586 666 HB3 ARG 86 2HB ARG 86 -26.675 -31.618 -10.116 667 HG2 ARG 86 1HG ARG 86 -26.672 -32.340 -12.501 668 HG3 ARG 86 2HG ARG 86 -26.189 -30.708 -12.990 669 HD2 ARG 86 1HD ARG 86 -24.241 -32.020 -12.969 670 HD3 ARG 86 2HD ARG 86 -24.170 -30.928 -11.564 671 HE ARG 86 HE ARG 86 -25.305 -33.458 -10.800 672 HH11 ARG 86 2HH1 ARG 86 -22.166 -32.144 -11.630 673 HH12 ARG 86 1HH1 ARG 86 -21.315 -33.338 -10.689 674 HH21 ARG 86 2HH2 ARG 86 -24.158 -34.946 -9.612 675 HH22 ARG 86 1HH2 ARG 86 -22.422 -34.883 -9.582 676 H VAL 87 H VAL 87 -28.549 -28.456 -9.684 677 HA VAL 87 HA VAL 87 -29.579 -29.952 -7.341 678 HB VAL 87 HB VAL 87 -28.690 -27.055 -7.558 679 HG11 VAL 87 1HG1 VAL 87 -28.492 -27.189 -5.090 680 HG12 VAL 87 2HG1 VAL 87 -30.160 -27.375 -5.623 681 HG13 VAL 87 3HG1 VAL 87 -29.230 -28.807 -5.124 682 HG21 VAL 87 3HG2 VAL 87 -26.642 -27.872 -6.382 683 HG22 VAL 87 1HG2 VAL 87 -27.224 -29.541 -6.547 684 HG23 VAL 87 2HG2 VAL 87 -26.796 -28.590 -7.985 685 H HIS 88 H HIS 88 -30.716 -27.413 -9.568 686 HA HIS 88 HA HIS 88 -33.298 -27.278 -8.050 687 HB2 HIS 88 1HB HIS 88 -32.055 -25.246 -9.926 688 HB3 HIS 88 2HB HIS 88 -33.528 -25.045 -8.976 689 HD1 HIS 88 1HD HIS 88 -32.952 -25.448 -6.123 690 HD2 HIS 88 2HD HIS 88 -29.958 -24.227 -8.802 691 HE1 HIS 88 1HE HIS 88 -31.132 -24.401 -4.696 692 H LYS 89 H LYS 89 -31.959 -27.629 -11.308 693 HA LYS 89 HA LYS 89 -34.605 -28.409 -12.452 694 HB2 LYS 89 1HB LYS 89 -31.951 -27.540 -13.524 695 HB3 LYS 89 2HB LYS 89 -32.876 -28.656 -14.510 696 HG2 LYS 89 1HG LYS 89 -33.261 -26.366 -15.177 697 HG3 LYS 89 2HG LYS 89 -34.739 -27.126 -14.601 698 HD2 LYS 89 1HD LYS 89 -34.505 -25.930 -12.424 699 HD3 LYS 89 2HD LYS 89 -33.027 -25.158 -13.004 700 HE2 LYS 89 1HE LYS 89 -35.826 -24.870 -14.204 701 HE3 LYS 89 2HE LYS 89 -35.069 -23.719 -13.100 702 HZ1 LYS 89 3HZ LYS 89 -33.331 -23.355 -14.787 703 HZ2 LYS 89 1HZ LYS 89 -34.810 -22.981 -15.363 704 HZ3 LYS 89 2HZ LYS 89 -34.092 -24.367 -15.829 705 H LYS 90 H LYS 90 -34.388 -30.335 -13.991 706 HA LYS 90 HA LYS 90 -33.250 -32.665 -12.493 707 HB2 LYS 90 1HB LYS 90 -35.720 -32.517 -12.568 708 HB3 LYS 90 2HB LYS 90 -35.667 -32.555 -14.336 709 HG2 LYS 90 1HG LYS 90 -34.723 -34.822 -14.294 710 HG3 LYS 90 2HG LYS 90 -34.547 -34.751 -12.535 711 HD2 LYS 90 1HD LYS 90 -36.465 -36.107 -13.094 712 HD3 LYS 90 2HD LYS 90 -37.013 -34.629 -12.290 713 HE2 LYS 90 1HE LYS 90 -37.591 -33.643 -14.502 714 HE3 LYS 90 2HE LYS 90 -37.004 -35.103 -15.311 715 HZ1 LYS 90 3HZ LYS 90 -39.415 -35.154 -15.024 716 HZ2 LYS 90 1HZ LYS 90 -39.285 -35.010 -13.406 717 HZ3 LYS 90 2HZ LYS 90 -38.746 -36.359 -14.154 718 H ILE 91 H ILE 91 -32.108 -34.209 -13.541 719 HA ILE 91 HA ILE 91 -31.162 -33.628 -16.298 720 HB ILE 91 HB ILE 91 -29.187 -34.822 -15.856 721 HG12 ILE 91 1HG1 ILE 91 -29.844 -36.619 -14.396 722 HG13 ILE 91 2HG1 ILE 91 -28.471 -35.743 -13.756 723 HG21 ILE 91 1HG2 ILE 91 -29.248 -32.452 -15.266 724 HG22 ILE 91 2HG2 ILE 91 -29.665 -32.852 -13.592 725 HG23 ILE 91 3HG2 ILE 91 -28.100 -33.352 -14.264 726 HD11 ILE 91 3HD1 ILE 91 -31.325 -35.633 -12.705 727 HD12 ILE 91 1HD1 ILE 91 -29.909 -36.354 -11.936 728 HD13 ILE 91 2HD1 ILE 91 -30.002 -34.594 -12.113 729 H LYS 92 H LYS 92 -30.811 -35.327 -17.753 730 HA LYS 92 HA LYS 92 -32.209 -37.909 -17.351 731 HB2 LYS 92 1HB LYS 92 -33.888 -36.286 -18.235 732 HB3 LYS 92 2HB LYS 92 -32.849 -36.003 -19.640 733 HG2 LYS 92 1HG LYS 92 -33.082 -38.384 -20.300 734 HG3 LYS 92 2HG LYS 92 -34.009 -38.711 -18.829 735 HD2 LYS 92 1HD LYS 92 -35.526 -38.539 -20.697 736 HD3 LYS 92 2HD LYS 92 -35.795 -37.168 -19.611 737 HE2 LYS 92 1HE LYS 92 -34.449 -35.711 -21.107 738 HE3 LYS 92 2HE LYS 92 -34.123 -37.089 -22.167 739 HZ1 LYS 92 3HZ LYS 92 -36.818 -35.954 -21.631 740 HZ2 LYS 92 1HZ LYS 92 -36.516 -37.224 -22.614 741 HZ3 LYS 92 2HZ LYS 92 -35.962 -35.741 -23.003 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 1.885 40.483 -9.964 2 H2 GLY 1 2H GLY 1 0.549 40.098 -10.834 3 H3 GLY 1 3H GLY 1 1.884 40.673 -11.589 4 HA2 GLY 1 1HA GLY 1 1.705 38.093 -10.175 5 HA3 GLY 1 2HA GLY 1 1.684 38.297 -11.937 6 H SER 2 H SER 2 3.572 36.701 -10.518 7 HA SER 2 HA SER 2 6.114 38.114 -10.311 8 HB2 SER 2 1HB SER 2 7.024 35.823 -9.949 9 HB3 SER 2 2HB SER 2 5.729 36.284 -8.833 10 HG SER 2 HG SER 2 5.452 34.154 -9.661 11 H SER 3 H SER 3 8.001 37.672 -11.551 12 HA SER 3 HA SER 3 7.540 37.702 -14.409 13 HB2 SER 3 1HB SER 3 10.147 37.654 -12.849 14 HB3 SER 3 2HB SER 3 9.961 38.039 -14.570 15 HG SER 3 HG SER 3 10.051 39.928 -13.253 16 H GLY 4 H GLY 4 8.227 36.283 -15.998 17 HA2 GLY 4 1HA GLY 4 8.899 34.326 -17.020 18 HA3 GLY 4 2HA GLY 4 9.843 33.965 -15.581 19 H SER 5 H SER 5 9.376 31.773 -15.747 20 HA SER 5 HA SER 5 6.862 30.899 -14.499 21 HB2 SER 5 1HB SER 5 6.490 30.816 -17.001 22 HB3 SER 5 2HB SER 5 7.796 29.617 -17.095 23 HG SER 5 HG SER 5 5.677 28.681 -16.913 24 H SER 6 H SER 6 7.000 28.611 -13.807 25 HA SER 6 HA SER 6 9.785 27.714 -13.171 26 HB2 SER 6 1HB SER 6 7.522 28.084 -11.174 27 HB3 SER 6 2HB SER 6 9.094 27.342 -10.831 28 HG SER 6 HG SER 6 9.022 29.567 -10.242 29 H GLY 7 H GLY 7 10.067 25.558 -12.680 30 HA2 GLY 7 1HA GLY 7 9.616 23.297 -12.502 31 HA3 GLY 7 2HA GLY 7 7.890 23.615 -12.589 32 H LYS 8 H LYS 8 8.735 21.448 -13.780 33 HA LYS 8 HA LYS 8 8.132 21.805 -16.624 34 HB2 LYS 8 1HB LYS 8 10.074 20.689 -17.495 35 HB3 LYS 8 2HB LYS 8 10.634 22.047 -16.532 36 HG2 LYS 8 1HG LYS 8 11.116 20.502 -14.633 37 HG3 LYS 8 2HG LYS 8 10.587 19.132 -15.612 38 HD2 LYS 8 1HD LYS 8 12.912 20.980 -16.274 39 HD3 LYS 8 2HD LYS 8 13.067 19.403 -15.510 40 HE2 LYS 8 1HE LYS 8 11.931 19.888 -18.305 41 HE3 LYS 8 2HE LYS 8 13.587 19.409 -17.948 42 HZ1 LYS 8 3HZ LYS 8 11.163 17.774 -17.383 43 HZ2 LYS 8 1HZ LYS 8 12.680 17.372 -16.900 44 HZ3 LYS 8 2HZ LYS 8 12.317 17.467 -18.488 45 H ILE 9 H ILE 9 8.241 19.541 -17.690 46 HA ILE 9 HA ILE 9 6.659 17.651 -16.021 47 HB ILE 9 HB ILE 9 6.827 18.048 -19.034 48 HG12 ILE 9 1HG1 ILE 9 4.550 18.638 -17.075 49 HG13 ILE 9 2HG1 ILE 9 5.620 19.860 -17.746 50 HG21 ILE 9 1HG2 ILE 9 5.102 16.132 -17.412 51 HG22 ILE 9 2HG2 ILE 9 4.946 16.433 -19.155 52 HG23 ILE 9 3HG2 ILE 9 6.403 15.688 -18.545 53 HD11 ILE 9 3HD1 ILE 9 3.620 18.222 -19.320 54 HD12 ILE 9 1HD1 ILE 9 3.614 19.960 -18.982 55 HD13 ILE 9 2HD1 ILE 9 4.862 19.283 -20.045 56 H PHE 10 H PHE 10 7.153 15.454 -16.066 57 HA PHE 10 HA PHE 10 9.896 14.664 -16.979 58 HB2 PHE 10 1HB PHE 10 8.562 14.034 -14.318 59 HB3 PHE 10 2HB PHE 10 10.110 13.405 -14.863 60 HD1 PHE 10 1HD PHE 10 8.328 16.404 -13.637 61 HD2 PHE 10 2HD PHE 10 12.135 14.815 -14.897 62 HE1 PHE 10 1HE PHE 10 9.471 18.392 -12.691 63 HE2 PHE 10 2HE PHE 10 13.270 16.831 -13.993 64 HZ PHE 10 HZ PHE 10 11.945 18.609 -12.867 65 H THR 11 H THR 11 10.084 12.608 -17.881 66 HA THR 11 HA THR 11 7.574 11.008 -18.172 67 HB THR 11 HB THR 11 9.466 11.847 -20.391 68 HG1 THR 11 1HG THR 11 7.772 13.147 -21.042 69 HG21 THR 11 3HG2 THR 11 7.650 11.001 -21.879 70 HG22 THR 11 1HG2 THR 11 6.806 10.364 -20.450 71 HG23 THR 11 2HG2 THR 11 8.396 9.717 -20.920 72 H CYS 12 H CYS 12 7.753 8.857 -18.236 73 HA CYS 12 HA CYS 12 10.170 7.512 -17.434 74 HB2 CYS 12 1HB CYS 12 7.912 6.876 -16.743 75 HB3 CYS 12 2HB CYS 12 7.479 6.518 -18.428 76 H GLU 13 H GLU 13 11.667 6.464 -18.570 77 HA GLU 13 HA GLU 13 11.655 6.647 -21.513 78 HB2 GLU 13 1HB GLU 13 13.958 6.028 -21.423 79 HB3 GLU 13 2HB GLU 13 13.650 7.297 -20.241 80 HG2 GLU 13 1HG GLU 13 13.585 5.565 -18.430 81 HG3 GLU 13 2HG GLU 13 13.951 4.323 -19.632 82 H TYR 14 H TYR 14 10.548 4.347 -19.303 83 HA TYR 14 HA TYR 14 11.160 2.018 -21.071 84 HB2 TYR 14 1HB TYR 14 10.163 2.167 -18.223 85 HB3 TYR 14 2HB TYR 14 10.477 0.686 -19.108 86 HD1 TYR 14 2HD TYR 14 12.833 0.111 -19.814 87 HD2 TYR 14 1HD TYR 14 11.936 3.370 -17.134 88 HE1 TYR 14 2HE TYR 14 15.194 0.101 -19.007 89 HE2 TYR 14 1HE TYR 14 14.294 3.354 -16.326 90 HH TYR 14 HH TYR 14 16.364 2.387 -16.506 91 H CYS 15 H CYS 15 8.386 3.837 -19.788 92 HA CYS 15 HA CYS 15 6.609 2.296 -21.605 93 HB2 CYS 15 1HB CYS 15 4.919 2.022 -19.952 94 HB3 CYS 15 2HB CYS 15 6.426 1.310 -19.379 95 H ASN 16 H ASN 16 7.745 5.284 -21.068 96 HA ASN 16 HA ASN 16 7.185 7.358 -21.628 97 HB2 ASN 16 1HB ASN 16 6.855 6.057 -23.763 98 HB3 ASN 16 2HB ASN 16 5.117 6.156 -23.478 99 HD21 ASN 16 1HD2 ASN 16 8.031 8.303 -23.622 100 HD22 ASN 16 2HD2 ASN 16 7.184 9.585 -24.475 101 H LYS 17 H LYS 17 5.436 6.071 -19.397 102 HA LYS 17 HA LYS 17 3.135 7.793 -19.171 103 HB2 LYS 17 1HB LYS 17 4.825 6.236 -17.185 104 HB3 LYS 17 2HB LYS 17 3.585 7.372 -16.636 105 HG2 LYS 17 1HG LYS 17 1.850 6.217 -17.882 106 HG3 LYS 17 2HG LYS 17 3.030 5.049 -18.518 107 HD2 LYS 17 1HD LYS 17 3.391 4.077 -16.371 108 HD3 LYS 17 2HD LYS 17 2.703 5.467 -15.524 109 HE2 LYS 17 1HE LYS 17 1.156 3.644 -15.375 110 HE3 LYS 17 2HE LYS 17 0.468 4.943 -16.347 111 HZ1 LYS 17 3HZ LYS 17 0.063 2.811 -17.385 112 HZ2 LYS 17 1HZ LYS 17 1.661 2.438 -17.423 113 HZ3 LYS 17 2HZ LYS 17 1.073 3.655 -18.349 114 H VAL 18 H VAL 18 2.826 9.654 -18.076 115 HA VAL 18 HA VAL 18 5.190 11.482 -17.899 116 HB VAL 18 HB VAL 18 2.341 12.158 -18.711 117 HG11 VAL 18 1HG1 VAL 18 3.369 14.314 -19.435 118 HG12 VAL 18 2HG1 VAL 18 3.485 14.086 -17.692 119 HG13 VAL 18 3HG1 VAL 18 4.909 13.793 -18.721 120 HG21 VAL 18 3HG2 VAL 18 3.440 10.836 -20.485 121 HG22 VAL 18 1HG2 VAL 18 3.309 12.525 -20.971 122 HG23 VAL 18 2HG2 VAL 18 4.869 11.891 -20.402 123 H PHE 19 H PHE 19 5.459 12.772 -16.195 124 HA PHE 19 HA PHE 19 3.552 12.671 -13.905 125 HB2 PHE 19 1HB PHE 19 6.561 12.212 -13.836 126 HB3 PHE 19 2HB PHE 19 5.503 12.296 -12.435 127 HD1 PHE 19 2HD PHE 19 3.866 10.485 -11.949 128 HD2 PHE 19 1HD PHE 19 6.606 10.222 -15.267 129 HE1 PHE 19 2HE PHE 19 3.276 8.090 -12.249 130 HE2 PHE 19 1HE PHE 19 6.035 7.822 -15.548 131 HZ PHE 19 HZ PHE 19 4.318 6.767 -14.079 132 H LYS 20 H LYS 20 3.600 14.378 -12.481 133 HA LYS 20 HA LYS 20 4.214 16.990 -13.569 134 HB2 LYS 20 1HB LYS 20 3.443 16.119 -10.754 135 HB3 LYS 20 2HB LYS 20 3.436 17.786 -11.341 136 HG2 LYS 20 1HG LYS 20 1.650 17.187 -12.972 137 HG3 LYS 20 2HG LYS 20 1.647 15.528 -12.332 138 HD2 LYS 20 1HD LYS 20 1.180 16.484 -10.032 139 HD3 LYS 20 2HD LYS 20 1.002 18.083 -10.790 140 HE2 LYS 20 1HE LYS 20 -0.805 17.153 -12.238 141 HE3 LYS 20 2HE LYS 20 -0.610 15.582 -11.440 142 HZ1 LYS 20 3HZ LYS 20 -2.436 16.845 -10.454 143 HZ2 LYS 20 1HZ LYS 20 -1.443 18.088 -10.075 144 HZ3 LYS 20 2HZ LYS 20 -1.260 16.638 -9.343 145 H PHE 21 H PHE 21 5.956 14.875 -11.383 146 HA PHE 21 HA PHE 21 8.054 16.942 -10.916 147 HB2 PHE 21 1HB PHE 21 6.892 15.162 -8.754 148 HB3 PHE 21 2HB PHE 21 8.032 16.481 -8.560 149 HD1 PHE 21 2HD PHE 21 7.159 18.885 -9.291 150 HD2 PHE 21 1HD PHE 21 4.590 15.544 -8.358 151 HE1 PHE 21 2HE PHE 21 5.271 20.444 -8.875 152 HE2 PHE 21 1HE PHE 21 2.722 17.106 -7.912 153 HZ PHE 21 HZ PHE 21 3.046 19.556 -8.195 154 H LYS 22 H LYS 22 10.129 16.153 -10.389 155 HA LYS 22 HA LYS 22 10.863 13.706 -11.666 156 HB2 LYS 22 1HB LYS 22 12.280 15.747 -11.443 157 HB3 LYS 22 2HB LYS 22 12.520 15.378 -9.733 158 HG2 LYS 22 1HG LYS 22 13.717 13.352 -10.251 159 HG3 LYS 22 2HG LYS 22 13.181 13.374 -11.935 160 HD2 LYS 22 1HD LYS 22 15.552 14.009 -11.694 161 HD3 LYS 22 2HD LYS 22 14.579 15.279 -12.448 162 HE2 LYS 22 1HE LYS 22 14.470 16.513 -10.330 163 HE3 LYS 22 2HE LYS 22 15.345 15.218 -9.496 164 HZ1 LYS 22 3HZ LYS 22 17.265 15.692 -10.928 165 HZ2 LYS 22 1HZ LYS 22 16.832 17.039 -10.118 166 HZ3 LYS 22 2HZ LYS 22 16.455 16.884 -11.698 167 H HIS 23 H HIS 23 10.336 14.402 -8.203 168 HA HIS 23 HA HIS 23 11.245 11.830 -7.288 169 HB2 HIS 23 1HB HIS 23 10.142 12.345 -5.207 170 HB3 HIS 23 2HB HIS 23 11.047 13.734 -5.789 171 HD1 HIS 23 1HD HIS 23 7.407 12.602 -5.209 172 HD2 HIS 23 2HD HIS 23 9.660 15.949 -6.395 173 HE1 HIS 23 1HE HIS 23 5.803 14.584 -5.206 174 H SER 24 H SER 24 8.032 12.953 -8.413 175 HA SER 24 HA SER 24 6.612 10.515 -7.935 176 HB2 SER 24 1HB SER 24 6.173 12.534 -10.163 177 HB3 SER 24 2HB SER 24 5.012 11.327 -9.595 178 HG SER 24 HG SER 24 4.930 12.382 -7.603 179 H LEU 25 H LEU 25 8.492 11.584 -10.826 180 HA LEU 25 HA LEU 25 8.121 9.122 -12.262 181 HB2 LEU 25 1HB LEU 25 8.808 11.135 -13.419 182 HB3 LEU 25 2HB LEU 25 10.264 11.271 -12.430 183 HG LEU 25 HG LEU 25 11.173 9.201 -13.412 184 HD11 LEU 25 1HD1 LEU 25 8.749 9.229 -15.261 185 HD12 LEU 25 2HD1 LEU 25 9.033 8.029 -13.982 186 HD13 LEU 25 3HD1 LEU 25 10.146 8.134 -15.341 187 HD21 LEU 25 3HD2 LEU 25 11.662 11.373 -14.468 188 HD22 LEU 25 1HD2 LEU 25 10.249 11.159 -15.529 189 HD23 LEU 25 2HD2 LEU 25 11.626 10.049 -15.647 190 H GLN 26 H GLN 26 10.781 10.150 -10.027 191 HA GLN 26 HA GLN 26 12.349 7.795 -10.221 192 HB2 GLN 26 1HB GLN 26 11.886 9.810 -8.008 193 HB3 GLN 26 2HB GLN 26 12.985 8.451 -7.789 194 HG2 GLN 26 1HG GLN 26 14.373 9.149 -9.647 195 HG3 GLN 26 2HG GLN 26 13.249 10.417 -10.110 196 HE21 GLN 26 1HE2 GLN 26 15.867 11.144 -9.738 197 HE22 GLN 26 2HE2 GLN 26 16.018 12.044 -8.235 198 H ALA 27 H ALA 27 9.533 8.425 -8.077 199 HA ALA 27 HA ALA 27 9.632 5.846 -6.806 200 HB1 ALA 27 1HB ALA 27 7.424 6.486 -5.965 201 HB2 ALA 27 2HB ALA 27 8.579 7.831 -5.832 202 HB3 ALA 27 3HB ALA 27 7.353 7.833 -7.126 203 H HIS 28 H HIS 28 8.060 6.961 -9.821 204 HA HIS 28 HA HIS 28 6.626 4.484 -10.307 205 HB2 HIS 28 1HB HIS 28 5.886 6.446 -11.441 206 HB3 HIS 28 2HB HIS 28 7.492 6.799 -12.071 207 HD1 HIS 28 1HD HIS 28 4.753 4.103 -12.552 208 HD2 HIS 28 2HD HIS 28 8.187 5.726 -14.355 209 HE1 HIS 28 1HE HIS 28 4.936 2.984 -14.818 210 H LEU 29 H LEU 29 9.846 5.705 -11.333 211 HA LEU 29 HA LEU 29 10.550 3.596 -13.048 212 HB2 LEU 29 1HB LEU 29 12.201 5.489 -11.347 213 HB3 LEU 29 2HB LEU 29 12.957 4.328 -12.428 214 HG LEU 29 HG LEU 29 10.976 6.431 -13.397 215 HD11 LEU 29 1HD1 LEU 29 14.023 6.430 -13.449 216 HD12 LEU 29 2HD1 LEU 29 12.996 7.498 -12.466 217 HD13 LEU 29 3HD1 LEU 29 12.968 7.628 -14.230 218 HD21 LEU 29 3HD2 LEU 29 11.143 4.555 -14.945 219 HD22 LEU 29 1HD2 LEU 29 12.919 4.619 -14.871 220 HD23 LEU 29 2HD2 LEU 29 11.992 5.945 -15.608 221 H ARG 30 H ARG 30 10.391 3.416 -9.581 222 HA ARG 30 HA ARG 30 12.128 1.238 -9.026 223 HB2 ARG 30 1HB ARG 30 9.343 1.820 -7.929 224 HB3 ARG 30 2HB ARG 30 10.480 0.662 -7.233 225 HG2 ARG 30 1HG ARG 30 12.124 2.477 -6.834 226 HG3 ARG 30 2HG ARG 30 10.978 3.665 -7.469 227 HD2 ARG 30 1HD ARG 30 10.516 1.878 -5.045 228 HD3 ARG 30 2HD ARG 30 10.983 3.589 -4.998 229 HE ARG 30 HE ARG 30 8.647 3.432 -6.574 230 HH11 ARG 30 2HH1 ARG 30 9.430 2.916 -3.195 231 HH12 ARG 30 1HH1 ARG 30 7.804 3.280 -2.680 232 HH21 ARG 30 2HH2 ARG 30 6.629 3.835 -5.875 233 HH22 ARG 30 1HH2 ARG 30 6.250 3.798 -4.174 234 H ILE 31 H ILE 31 8.941 1.113 -10.698 235 HA ILE 31 HA ILE 31 8.771 -1.761 -10.533 236 HB ILE 31 HB ILE 31 6.967 -1.697 -11.942 237 HG12 ILE 31 1HG1 ILE 31 7.708 1.083 -12.905 238 HG13 ILE 31 2HG1 ILE 31 7.770 -0.417 -13.826 239 HG21 ILE 31 1HG2 ILE 31 6.768 0.916 -10.404 240 HG22 ILE 31 2HG2 ILE 31 5.468 -0.227 -10.788 241 HG23 ILE 31 3HG2 ILE 31 6.728 -0.693 -9.646 242 HD11 ILE 31 3HD1 ILE 31 5.270 0.958 -12.812 243 HD12 ILE 31 1HD1 ILE 31 5.794 0.714 -14.490 244 HD13 ILE 31 2HD1 ILE 31 5.301 -0.681 -13.512 245 H HIS 32 H HIS 32 10.475 0.339 -12.695 246 HA HIS 32 HA HIS 32 11.045 -1.814 -14.656 247 HB2 HIS 32 1HB HIS 32 11.854 1.113 -14.651 248 HB3 HIS 32 2HB HIS 32 12.023 -0.021 -15.983 249 HD1 HIS 32 1HD HIS 32 9.394 -1.049 -16.797 250 HD2 HIS 32 2HD HIS 32 9.840 2.671 -14.912 251 HE1 HIS 32 1HE HIS 32 7.351 0.311 -17.458 252 H THR 33 H THR 33 12.622 -0.102 -12.025 253 HA THR 33 HA THR 33 15.298 -1.223 -12.778 254 HB THR 33 HB THR 33 16.260 0.647 -11.559 255 HG1 THR 33 1HG THR 33 13.623 1.642 -11.321 256 HG21 THR 33 3HG2 THR 33 14.160 1.653 -13.532 257 HG22 THR 33 1HG2 THR 33 15.737 0.958 -13.967 258 HG23 THR 33 2HG2 THR 33 15.661 2.470 -13.045 259 H ASN 34 H ASN 34 12.944 -1.451 -10.245 260 HA ASN 34 HA ASN 34 14.833 -3.011 -8.572 261 HB2 ASN 34 1HB ASN 34 14.692 -0.594 -7.798 262 HB3 ASN 34 2HB ASN 34 12.974 -0.852 -7.489 263 HD21 ASN 34 1HD2 ASN 34 13.744 -0.155 -5.265 264 HD22 ASN 34 2HD2 ASN 34 14.368 -1.415 -4.211 265 H GLU 35 H GLU 35 13.179 -4.200 -10.290 266 HA GLU 35 HA GLU 35 10.513 -4.690 -9.364 267 HB2 GLU 35 1HB GLU 35 10.362 -6.253 -11.179 268 HB3 GLU 35 2HB GLU 35 11.203 -4.802 -11.717 269 HG2 GLU 35 1HG GLU 35 13.397 -6.015 -11.407 270 HG3 GLU 35 2HG GLU 35 12.485 -7.479 -11.018 271 H LYS 36 H LYS 36 9.562 -6.781 -8.902 272 HA LYS 36 HA LYS 36 11.206 -8.547 -7.111 273 HB2 LYS 36 1HB LYS 36 8.302 -7.763 -6.737 274 HB3 LYS 36 2HB LYS 36 9.288 -8.819 -5.714 275 HG2 LYS 36 1HG LYS 36 10.818 -6.913 -5.231 276 HG3 LYS 36 2HG LYS 36 9.746 -5.845 -6.160 277 HD2 LYS 36 1HD LYS 36 7.862 -6.471 -4.622 278 HD3 LYS 36 2HD LYS 36 9.009 -7.374 -3.624 279 HE2 LYS 36 1HE LYS 36 9.164 -4.390 -4.267 280 HE3 LYS 36 2HE LYS 36 8.493 -5.069 -2.783 281 HZ1 LYS 36 3HZ LYS 36 10.695 -6.006 -2.288 282 HZ2 LYS 36 1HZ LYS 36 10.781 -4.386 -2.448 283 HZ3 LYS 36 2HZ LYS 36 11.324 -5.344 -3.649 284 HA PRO 37 HA PRO 37 10.304 -11.665 -9.963 285 HB2 PRO 37 1HB PRO 37 10.454 -13.987 -8.452 286 HB3 PRO 37 2HB PRO 37 11.843 -12.970 -8.921 287 HG2 PRO 37 1HG PRO 37 10.303 -12.908 -6.312 288 HG3 PRO 37 2HG PRO 37 12.079 -12.969 -6.547 289 HD2 PRO 37 1HD PRO 37 10.826 -10.624 -6.079 290 HD3 PRO 37 2HD PRO 37 12.137 -10.712 -7.284 291 H TYR 38 H TYR 38 8.232 -12.060 -7.044 292 HA TYR 38 HA TYR 38 6.408 -13.805 -8.554 293 HB2 TYR 38 1HB TYR 38 6.341 -12.977 -5.646 294 HB3 TYR 38 2HB TYR 38 5.289 -14.153 -6.417 295 HD1 TYR 38 1HD TYR 38 6.384 -16.170 -7.632 296 HD2 TYR 38 2HD TYR 38 8.463 -13.646 -4.843 297 HE1 TYR 38 1HE TYR 38 8.124 -17.940 -7.322 298 HE2 TYR 38 2HE TYR 38 10.200 -15.400 -4.516 299 HH TYR 38 HH TYR 38 10.914 -17.502 -5.114 300 H LYS 39 H LYS 39 5.802 -12.349 -10.084 301 HA LYS 39 HA LYS 39 4.181 -9.971 -9.470 302 HB2 LYS 39 1HB LYS 39 4.971 -11.322 -12.072 303 HB3 LYS 39 2HB LYS 39 4.030 -9.826 -11.974 304 HG2 LYS 39 1HG LYS 39 5.842 -8.623 -10.944 305 HG3 LYS 39 2HG LYS 39 6.768 -10.108 -10.684 306 HD2 LYS 39 1HD LYS 39 6.919 -10.422 -13.156 307 HD3 LYS 39 2HD LYS 39 6.097 -8.859 -13.381 308 HE2 LYS 39 1HE LYS 39 7.916 -7.723 -12.138 309 HE3 LYS 39 2HE LYS 39 8.702 -9.278 -11.838 310 HZ1 LYS 39 3HZ LYS 39 8.976 -9.518 -14.258 311 HZ2 LYS 39 1HZ LYS 39 9.732 -8.180 -13.713 312 HZ3 LYS 39 2HZ LYS 39 8.306 -8.045 -14.513 313 H CYS 40 H CYS 40 2.072 -9.665 -9.812 314 HA CYS 40 HA CYS 40 0.279 -11.924 -9.704 315 HB2 CYS 40 1HB CYS 40 -0.070 -9.901 -8.453 316 HB3 CYS 40 2HB CYS 40 -0.177 -8.946 -9.945 317 HA PRO 41 HA PRO 41 -0.413 -12.115 -14.196 318 HB2 PRO 41 1HB PRO 41 -2.396 -13.974 -14.273 319 HB3 PRO 41 2HB PRO 41 -0.713 -14.398 -13.834 320 HG2 PRO 41 1HG PRO 41 -3.033 -13.827 -11.958 321 HG3 PRO 41 2HG PRO 41 -1.903 -15.216 -11.926 322 HD2 PRO 41 1HD PRO 41 -1.557 -12.977 -10.378 323 HD3 PRO 41 2HD PRO 41 -0.170 -13.903 -11.029 324 H GLN 42 H GLN 42 -2.598 -10.938 -11.766 325 HA GLN 42 HA GLN 42 -4.602 -10.069 -13.804 326 HB2 GLN 42 1HB GLN 42 -4.803 -10.664 -10.841 327 HB3 GLN 42 2HB GLN 42 -6.076 -9.824 -11.717 328 HG2 GLN 42 1HG GLN 42 -5.028 -12.587 -12.481 329 HG3 GLN 42 2HG GLN 42 -6.411 -12.302 -11.438 330 HE21 GLN 42 1HE2 GLN 42 -6.941 -13.826 -13.611 331 HE22 GLN 42 2HE2 GLN 42 -7.814 -12.883 -14.812 332 H CYS 43 H CYS 43 -2.366 -8.666 -11.351 333 HA CYS 43 HA CYS 43 -3.153 -6.019 -12.419 334 HB2 CYS 43 1HB CYS 43 -3.526 -5.068 -10.249 335 HB3 CYS 43 2HB CYS 43 -4.607 -6.431 -10.481 336 H SER 44 H SER 44 -1.702 -4.346 -10.935 337 HA SER 44 HA SER 44 0.983 -4.748 -11.961 338 HB2 SER 44 1HB SER 44 1.369 -2.475 -11.036 339 HB3 SER 44 2HB SER 44 -0.048 -2.576 -12.094 340 HG SER 44 HG SER 44 -0.474 -1.407 -10.147 341 H TYR 45 H TYR 45 -0.367 -5.941 -9.166 342 HA TYR 45 HA TYR 45 1.522 -5.446 -7.132 343 HB2 TYR 45 1HB TYR 45 -0.698 -6.359 -6.771 344 HB3 TYR 45 2HB TYR 45 -0.314 -7.791 -7.716 345 HD1 TYR 45 1HD TYR 45 1.233 -9.549 -6.750 346 HD2 TYR 45 2HD TYR 45 0.038 -6.075 -4.480 347 HE1 TYR 45 1HE TYR 45 1.957 -10.671 -4.660 348 HE2 TYR 45 2HE TYR 45 0.765 -7.211 -2.381 349 HH TYR 45 HH TYR 45 2.069 -10.538 -2.384 350 H ALA 46 H ALA 46 3.335 -6.390 -6.469 351 HA ALA 46 HA ALA 46 4.224 -8.968 -7.481 352 HB1 ALA 46 1HB ALA 46 6.076 -6.557 -7.734 353 HB2 ALA 46 2HB ALA 46 6.443 -8.244 -8.171 354 HB3 ALA 46 3HB ALA 46 5.235 -7.331 -9.093 355 H SER 47 H SER 47 5.648 -10.049 -6.067 356 HA SER 47 HA SER 47 6.587 -8.609 -3.635 357 HB2 SER 47 1HB SER 47 4.412 -9.860 -3.169 358 HB3 SER 47 2HB SER 47 5.322 -11.359 -3.443 359 HG SER 47 HG SER 47 5.783 -9.317 -1.499 360 H ALA 48 H ALA 48 8.257 -9.744 -2.450 361 HA ALA 48 HA ALA 48 10.177 -11.101 -4.227 362 HB1 ALA 48 1HB ALA 48 11.734 -10.779 -2.369 363 HB2 ALA 48 2HB ALA 48 10.924 -9.260 -2.795 364 HB3 ALA 48 3HB ALA 48 10.417 -10.164 -1.345 365 H ILE 49 H ILE 49 7.617 -12.120 -2.304 366 HA ILE 49 HA ILE 49 8.808 -14.800 -1.695 367 HB ILE 49 HB ILE 49 6.892 -13.105 -0.065 368 HG12 ILE 49 1HG1 ILE 49 9.745 -14.027 0.489 369 HG13 ILE 49 2HG1 ILE 49 9.231 -12.381 0.128 370 HG21 ILE 49 1HG2 ILE 49 6.214 -15.452 0.103 371 HG22 ILE 49 2HG2 ILE 49 7.883 -15.929 0.520 372 HG23 ILE 49 3HG2 ILE 49 6.901 -14.920 1.610 373 HD11 ILE 49 3HD1 ILE 49 7.867 -12.373 2.235 374 HD12 ILE 49 1HD1 ILE 49 8.626 -13.930 2.661 375 HD13 ILE 49 2HD1 ILE 49 9.623 -12.484 2.462 376 H LYS 50 H LYS 50 7.718 -16.526 -2.445 377 HA LYS 50 HA LYS 50 5.563 -16.229 -4.301 378 HB2 LYS 50 1HB LYS 50 7.378 -18.007 -4.244 379 HB3 LYS 50 2HB LYS 50 6.482 -18.802 -2.948 380 HG2 LYS 50 1HG LYS 50 4.529 -19.066 -4.457 381 HG3 LYS 50 2HG LYS 50 5.386 -18.184 -5.735 382 HD2 LYS 50 1HD LYS 50 7.139 -19.948 -5.771 383 HD3 LYS 50 2HD LYS 50 6.270 -20.832 -4.496 384 HE2 LYS 50 1HE LYS 50 4.285 -21.014 -5.987 385 HE3 LYS 50 2HE LYS 50 5.153 -20.137 -7.253 386 HZ1 LYS 50 3HZ LYS 50 6.777 -21.957 -7.305 387 HZ2 LYS 50 1HZ LYS 50 5.281 -22.539 -7.591 388 HZ3 LYS 50 2HZ LYS 50 5.974 -22.768 -6.133 389 H ALA 51 H ALA 51 5.543 -17.306 -0.911 390 HA ALA 51 HA ALA 51 2.808 -18.040 -0.741 391 HB1 ALA 51 1HB ALA 51 4.525 -18.608 0.939 392 HB2 ALA 51 2HB ALA 51 4.642 -16.895 1.412 393 HB3 ALA 51 3HB ALA 51 3.136 -17.794 1.683 394 H ASN 52 H ASN 52 4.306 -14.796 -0.547 395 HA ASN 52 HA ASN 52 1.934 -13.412 0.355 396 HB2 ASN 52 1HB ASN 52 4.415 -12.487 -1.168 397 HB3 ASN 52 2HB ASN 52 3.147 -11.408 -0.623 398 HD21 ASN 52 1HD2 ASN 52 5.567 -10.808 0.169 399 HD22 ASN 52 2HD2 ASN 52 5.734 -11.132 1.899 400 H LEU 53 H LEU 53 3.221 -14.122 -2.948 401 HA LEU 53 HA LEU 53 1.032 -12.897 -4.345 402 HB2 LEU 53 1HB LEU 53 3.136 -13.379 -5.446 403 HB3 LEU 53 2HB LEU 53 2.969 -15.105 -5.117 404 HG LEU 53 HG LEU 53 0.986 -15.219 -6.602 405 HD11 LEU 53 1HD1 LEU 53 1.626 -12.309 -7.263 406 HD12 LEU 53 2HD1 LEU 53 0.168 -12.882 -6.421 407 HD13 LEU 53 3HD1 LEU 53 0.446 -13.353 -8.092 408 HD21 LEU 53 3HD2 LEU 53 2.175 -14.978 -8.706 409 HD22 LEU 53 1HD2 LEU 53 3.255 -15.655 -7.472 410 HD23 LEU 53 2HD2 LEU 53 3.391 -13.943 -7.936 411 H ASN 54 H ASN 54 1.515 -16.259 -3.152 412 HA ASN 54 HA ASN 54 -0.889 -17.352 -4.168 413 HB2 ASN 54 1HB ASN 54 0.988 -18.655 -3.222 414 HB3 ASN 54 2HB ASN 54 0.606 -18.052 -1.608 415 HD21 ASN 54 1HD2 ASN 54 -0.973 -19.146 -0.407 416 HD22 ASN 54 2HD2 ASN 54 -1.938 -20.445 -1.088 417 H VAL 55 H VAL 55 -0.395 -15.557 -1.095 418 HA VAL 55 HA VAL 55 -3.192 -15.715 -0.294 419 HB VAL 55 HB VAL 55 -0.922 -13.908 0.587 420 HG11 VAL 55 1HG1 VAL 55 -3.714 -14.190 1.781 421 HG12 VAL 55 2HG1 VAL 55 -2.341 -13.385 2.570 422 HG13 VAL 55 3HG1 VAL 55 -3.005 -12.717 1.080 423 HG21 VAL 55 3HG2 VAL 55 -0.932 -15.316 2.600 424 HG22 VAL 55 1HG2 VAL 55 -2.284 -16.274 1.954 425 HG23 VAL 55 2HG2 VAL 55 -0.693 -16.327 1.174 426 H HIS 56 H HIS 56 -1.285 -13.257 -2.095 427 HA HIS 56 HA HIS 56 -3.343 -11.303 -2.293 428 HB2 HIS 56 1HB HIS 56 -1.023 -10.796 -2.760 429 HB3 HIS 56 2HB HIS 56 -0.972 -11.975 -4.073 430 HD1 HIS 56 1HD HIS 56 -2.552 -8.540 -3.314 431 HD2 HIS 56 2HD HIS 56 -1.816 -11.249 -6.443 432 HE1 HIS 56 1HE HIS 56 -3.300 -7.365 -5.430 433 H LEU 57 H LEU 57 -2.707 -14.087 -4.478 434 HA LEU 57 HA LEU 57 -4.633 -13.437 -6.471 435 HB2 LEU 57 1HB LEU 57 -3.587 -16.042 -5.386 436 HB3 LEU 57 2HB LEU 57 -4.657 -15.994 -6.778 437 HG LEU 57 HG LEU 57 -2.016 -14.467 -6.733 438 HD11 LEU 57 1HD1 LEU 57 -1.063 -16.380 -7.941 439 HD12 LEU 57 2HD1 LEU 57 -2.590 -17.279 -7.739 440 HD13 LEU 57 3HD1 LEU 57 -1.608 -16.852 -6.320 441 HD21 LEU 57 3HD2 LEU 57 -3.857 -15.420 -8.969 442 HD22 LEU 57 1HD2 LEU 57 -2.251 -14.707 -9.193 443 HD23 LEU 57 2HD2 LEU 57 -3.548 -13.734 -8.486 444 H ARG 58 H ARG 58 -5.132 -14.911 -3.294 445 HA ARG 58 HA ARG 58 -7.870 -15.728 -3.634 446 HB2 ARG 58 1HB ARG 58 -6.518 -14.774 -1.077 447 HB3 ARG 58 2HB ARG 58 -8.007 -15.695 -1.190 448 HG2 ARG 58 1HG ARG 58 -6.837 -17.635 -2.102 449 HG3 ARG 58 2HG ARG 58 -5.325 -16.733 -2.187 450 HD2 ARG 58 1HD ARG 58 -5.212 -18.126 -0.236 451 HD3 ARG 58 2HD ARG 58 -5.324 -16.447 0.272 452 HE ARG 58 HE ARG 58 -7.400 -16.848 1.240 453 HH11 ARG 58 2HH1 ARG 58 -6.616 -19.685 -0.671 454 HH12 ARG 58 1HH1 ARG 58 -7.934 -20.605 -0.001 455 HH21 ARG 58 2HH2 ARG 58 -9.057 -18.079 2.041 456 HH22 ARG 58 1HH2 ARG 58 -9.273 -19.714 1.492 457 H LYS 59 H LYS 59 -6.569 -12.513 -3.364 458 HA LYS 59 HA LYS 59 -9.077 -11.227 -2.545 459 HB2 LYS 59 1HB LYS 59 -6.624 -9.996 -3.872 460 HB3 LYS 59 2HB LYS 59 -7.941 -9.141 -3.073 461 HG2 LYS 59 1HG LYS 59 -7.350 -10.241 -0.918 462 HG3 LYS 59 2HG LYS 59 -5.967 -11.025 -1.709 463 HD2 LYS 59 1HD LYS 59 -5.033 -8.818 -2.301 464 HD3 LYS 59 2HD LYS 59 -6.372 -8.009 -1.478 465 HE2 LYS 59 1HE LYS 59 -4.395 -9.920 -0.141 466 HE3 LYS 59 2HE LYS 59 -4.228 -8.163 -0.152 467 HZ1 LYS 59 3HZ LYS 59 -6.355 -8.011 1.034 468 HZ2 LYS 59 1HZ LYS 59 -5.285 -8.895 1.887 469 HZ3 LYS 59 2HZ LYS 59 -6.492 -9.639 1.084 470 H HIS 60 H HIS 60 -7.694 -12.258 -5.587 471 HA HIS 60 HA HIS 60 -9.356 -10.554 -7.241 472 HB2 HIS 60 1HB HIS 60 -7.413 -12.789 -7.870 473 HB3 HIS 60 2HB HIS 60 -8.354 -11.977 -9.113 474 HD1 HIS 60 1HD HIS 60 -8.139 -9.120 -8.938 475 HD2 HIS 60 2HD HIS 60 -5.054 -11.639 -7.570 476 HE1 HIS 60 1HE HIS 60 -6.055 -7.679 -8.900 477 H THR 61 H THR 61 -10.848 -12.424 -5.406 478 HA THR 61 HA THR 61 -12.510 -14.011 -7.250 479 HB THR 61 HB THR 61 -13.962 -14.270 -5.223 480 HG1 THR 61 1HG THR 61 -13.082 -13.556 -3.260 481 HG21 THR 61 3HG2 THR 61 -12.420 -15.716 -3.983 482 HG22 THR 61 1HG2 THR 61 -11.022 -14.961 -4.778 483 HG23 THR 61 2HG2 THR 61 -12.182 -15.916 -5.726 484 H GLY 62 H GLY 62 -12.412 -10.721 -6.097 485 HA2 GLY 62 1HA GLY 62 -15.165 -9.999 -6.671 486 HA3 GLY 62 2HA GLY 62 -13.815 -8.900 -6.416 487 H GLU 63 H GLU 63 -15.551 -8.082 -8.222 488 HA GLU 63 HA GLU 63 -14.731 -8.887 -10.936 489 HB2 GLU 63 1HB GLU 63 -17.136 -8.824 -10.378 490 HB3 GLU 63 2HB GLU 63 -16.999 -7.119 -9.950 491 HG2 GLU 63 1HG GLU 63 -17.998 -7.374 -12.147 492 HG3 GLU 63 2HG GLU 63 -16.459 -6.547 -12.284 493 H LYS 64 H LYS 64 -14.019 -7.448 -12.420 494 HA LYS 64 HA LYS 64 -12.301 -5.276 -11.371 495 HB2 LYS 64 1HB LYS 64 -12.391 -6.847 -13.948 496 HB3 LYS 64 2HB LYS 64 -11.584 -5.278 -13.907 497 HG2 LYS 64 1HG LYS 64 -10.136 -5.982 -12.076 498 HG3 LYS 64 2HG LYS 64 -10.902 -7.587 -12.042 499 HD2 LYS 64 1HD LYS 64 -10.067 -8.145 -14.218 500 HD3 LYS 64 2HD LYS 64 -9.624 -6.459 -14.569 501 HE2 LYS 64 1HE LYS 64 -7.910 -6.489 -12.831 502 HE3 LYS 64 2HE LYS 64 -8.331 -8.149 -12.385 503 HZ1 LYS 64 3HZ LYS 64 -6.390 -7.852 -13.945 504 HZ2 LYS 64 1HZ LYS 64 -7.443 -7.444 -15.127 505 HZ3 LYS 64 2HZ LYS 64 -7.504 -8.941 -14.431 506 H PHE 65 H PHE 65 -12.278 -3.257 -11.848 507 HA PHE 65 HA PHE 65 -14.164 -2.025 -13.791 508 HB2 PHE 65 1HB PHE 65 -13.272 -0.841 -11.132 509 HB3 PHE 65 2HB PHE 65 -14.406 -0.153 -12.288 510 HD1 PHE 65 2HD PHE 65 -16.704 -1.089 -12.544 511 HD2 PHE 65 1HD PHE 65 -13.955 -2.604 -9.590 512 HE1 PHE 65 2HE PHE 65 -18.579 -2.238 -11.383 513 HE2 PHE 65 1HE PHE 65 -15.829 -3.747 -8.427 514 HZ PHE 65 HZ PHE 65 -18.146 -3.558 -9.319 515 H ALA 66 H ALA 66 -13.246 -0.082 -14.838 516 HA ALA 66 HA ALA 66 -10.263 0.086 -14.724 517 HB1 ALA 66 1HB ALA 66 -10.191 -0.001 -17.163 518 HB2 ALA 66 2HB ALA 66 -10.945 -1.472 -16.518 519 HB3 ALA 66 3HB ALA 66 -11.955 -0.199 -17.235 520 H CYS 67 H CYS 67 -9.324 2.013 -15.097 521 HA CYS 67 HA CYS 67 -10.854 4.435 -14.842 522 HB2 CYS 67 1HB CYS 67 -8.598 3.990 -13.918 523 HB3 CYS 67 2HB CYS 67 -7.936 3.974 -15.561 524 H ASP 68 H ASP 68 -11.300 6.001 -16.302 525 HA ASP 68 HA ASP 68 -11.293 5.285 -19.185 526 HB2 ASP 68 1HB ASP 68 -13.377 6.029 -17.984 527 HB3 ASP 68 2HB ASP 68 -12.634 7.614 -17.774 528 H TYR 69 H TYR 69 -9.268 6.902 -17.079 529 HA TYR 69 HA TYR 69 -8.394 8.973 -19.059 530 HB2 TYR 69 1HB TYR 69 -8.184 8.951 -16.057 531 HB3 TYR 69 2HB TYR 69 -7.746 10.280 -17.118 532 HD1 TYR 69 1HD TYR 69 -9.518 11.637 -18.221 533 HD2 TYR 69 2HD TYR 69 -10.479 8.449 -15.479 534 HE1 TYR 69 1HE TYR 69 -11.851 12.490 -18.038 535 HE2 TYR 69 2HE TYR 69 -12.813 9.288 -15.315 536 HH TYR 69 HH TYR 69 -14.331 10.818 -16.051 537 H CYS 70 H CYS 70 -7.270 6.217 -17.205 538 HA CYS 70 HA CYS 70 -4.643 6.390 -18.482 539 HB2 CYS 70 1HB CYS 70 -3.331 6.169 -16.509 540 HB3 CYS 70 2HB CYS 70 -4.329 7.601 -16.361 541 H SER 71 H SER 71 -3.376 4.274 -17.291 542 HA SER 71 HA SER 71 -4.837 1.983 -18.374 543 HB2 SER 71 1HB SER 71 -2.693 0.797 -18.048 544 HB3 SER 71 2HB SER 71 -2.533 2.289 -18.980 545 HG SER 71 HG SER 71 -1.874 1.892 -16.231 546 H PHE 72 H PHE 72 -5.008 3.335 -15.344 547 HA PHE 72 HA PHE 72 -4.556 1.156 -13.588 548 HB2 PHE 72 1HB PHE 72 -4.655 3.473 -12.872 549 HB3 PHE 72 2HB PHE 72 -6.339 3.588 -13.354 550 HD1 PHE 72 1HD PHE 72 -4.107 1.640 -11.019 551 HD2 PHE 72 2HD PHE 72 -8.015 3.304 -11.748 552 HE1 PHE 72 1HE PHE 72 -4.818 0.991 -8.728 553 HE2 PHE 72 2HE PHE 72 -8.710 2.689 -9.448 554 HZ PHE 72 HZ PHE 72 -7.124 1.508 -7.945 555 H THR 73 H THR 73 -5.780 -0.389 -12.664 556 HA THR 73 HA THR 73 -8.667 -0.610 -13.257 557 HB THR 73 HB THR 73 -8.523 -3.073 -13.396 558 HG1 THR 73 1HG THR 73 -5.763 -2.644 -13.881 559 HG21 THR 73 3HG2 THR 73 -6.971 -1.670 -15.614 560 HG22 THR 73 1HG2 THR 73 -8.739 -1.750 -15.461 561 HG23 THR 73 2HG2 THR 73 -7.811 -3.235 -15.722 562 H CYS 74 H CYS 74 -9.871 -1.719 -11.695 563 HA CYS 74 HA CYS 74 -8.631 -1.956 -8.991 564 HB2 CYS 74 1HB CYS 74 -9.458 0.405 -9.552 565 HB3 CYS 74 2HB CYS 74 -11.088 -0.278 -9.650 566 HG CYS 74 HG CYS 74 -11.250 0.618 -7.380 567 H LEU 75 H LEU 75 -10.027 -3.007 -7.429 568 HA LEU 75 HA LEU 75 -12.123 -4.752 -8.621 569 HB2 LEU 75 1HB LEU 75 -9.878 -5.439 -7.080 570 HB3 LEU 75 2HB LEU 75 -11.208 -5.489 -5.934 571 HG LEU 75 HG LEU 75 -12.458 -6.976 -7.596 572 HD11 LEU 75 1HD1 LEU 75 -11.092 -8.132 -9.314 573 HD12 LEU 75 2HD1 LEU 75 -9.707 -7.079 -8.934 574 HD13 LEU 75 3HD1 LEU 75 -11.175 -6.404 -9.656 575 HD21 LEU 75 3HD2 LEU 75 -11.134 -8.983 -7.062 576 HD22 LEU 75 1HD2 LEU 75 -11.276 -7.913 -5.659 577 HD23 LEU 75 2HD2 LEU 75 -9.759 -7.961 -6.582 578 H SER 76 H SER 76 -12.166 -1.878 -7.328 579 HA SER 76 HA SER 76 -14.913 -2.224 -6.286 580 HB2 SER 76 1HB SER 76 -13.689 -2.147 -4.234 581 HB3 SER 76 2HB SER 76 -12.682 -0.803 -4.799 582 HG SER 76 HG SER 76 -14.545 -0.288 -3.367 583 H LYS 77 H LYS 77 -16.231 -0.851 -7.263 584 HA LYS 77 HA LYS 77 -15.341 1.200 -9.078 585 HB2 LYS 77 1HB LYS 77 -17.466 -0.185 -9.188 586 HB3 LYS 77 2HB LYS 77 -18.130 0.834 -7.905 587 HG2 LYS 77 1HG LYS 77 -17.864 2.829 -9.363 588 HG3 LYS 77 2HG LYS 77 -17.117 1.818 -10.617 589 HD2 LYS 77 1HD LYS 77 -19.214 0.508 -10.813 590 HD3 LYS 77 2HD LYS 77 -19.962 1.516 -9.552 591 HE2 LYS 77 1HE LYS 77 -19.618 3.531 -10.973 592 HE3 LYS 77 2HE LYS 77 -18.880 2.524 -12.227 593 HZ1 LYS 77 3HZ LYS 77 -21.228 2.937 -12.691 594 HZ2 LYS 77 1HZ LYS 77 -21.687 2.274 -11.274 595 HZ3 LYS 77 2HZ LYS 77 -21.005 1.342 -12.434 596 H GLY 78 H GLY 78 -16.291 1.276 -5.679 597 HA2 GLY 78 1HA GLY 78 -16.541 4.142 -5.379 598 HA3 GLY 78 2HA GLY 78 -16.230 2.962 -4.096 599 H HIS 79 H HIS 79 -13.790 1.864 -4.818 600 HA HIS 79 HA HIS 79 -11.910 3.960 -4.166 601 HB2 HIS 79 1HB HIS 79 -11.641 1.620 -3.460 602 HB3 HIS 79 2HB HIS 79 -11.448 1.123 -5.141 603 HD1 HIS 79 1HD HIS 79 -8.949 0.965 -5.857 604 HD2 HIS 79 2HD HIS 79 -9.672 3.649 -2.699 605 HE1 HIS 79 1HE HIS 79 -6.669 1.878 -5.158 606 H LEU 80 H LEU 80 -12.811 2.402 -7.271 607 HA LEU 80 HA LEU 80 -10.869 3.773 -8.866 608 HB2 LEU 80 1HB LEU 80 -12.121 1.825 -9.670 609 HB3 LEU 80 2HB LEU 80 -13.634 2.724 -9.563 610 HG LEU 80 HG LEU 80 -12.858 4.291 -11.318 611 HD11 LEU 80 1HD1 LEU 80 -10.857 3.725 -12.660 612 HD12 LEU 80 2HD1 LEU 80 -10.428 2.450 -11.501 613 HD13 LEU 80 3HD1 LEU 80 -10.410 4.166 -11.018 614 HD21 LEU 80 3HD2 LEU 80 -14.122 2.227 -11.875 615 HD22 LEU 80 1HD2 LEU 80 -12.569 1.396 -12.161 616 HD23 LEU 80 2HD2 LEU 80 -13.056 2.776 -13.174 617 H LYS 81 H LYS 81 -14.210 4.756 -7.883 618 HA LYS 81 HA LYS 81 -14.229 7.248 -9.269 619 HB2 LYS 81 1HB LYS 81 -16.185 6.118 -8.123 620 HB3 LYS 81 2HB LYS 81 -15.523 6.667 -6.576 621 HG2 LYS 81 1HG LYS 81 -15.657 9.049 -7.448 622 HG3 LYS 81 2HG LYS 81 -16.386 8.416 -8.925 623 HD2 LYS 81 1HD LYS 81 -18.144 9.249 -7.534 624 HD3 LYS 81 2HD LYS 81 -18.270 7.483 -7.535 625 HE2 LYS 81 1HE LYS 81 -17.120 7.399 -5.331 626 HE3 LYS 81 2HE LYS 81 -16.915 9.155 -5.363 627 HZ1 LYS 81 3HZ LYS 81 -19.537 7.752 -5.300 628 HZ2 LYS 81 1HZ LYS 81 -19.340 9.375 -5.322 629 HZ3 LYS 81 2HZ LYS 81 -18.843 8.511 -4.033 630 H VAL 82 H VAL 82 -13.000 6.486 -5.987 631 HA VAL 82 HA VAL 82 -12.062 9.133 -5.399 632 HB VAL 82 HB VAL 82 -11.162 6.416 -4.359 633 HG11 VAL 82 1HG1 VAL 82 -9.317 7.967 -3.952 634 HG12 VAL 82 2HG1 VAL 82 -10.449 9.194 -3.331 635 HG13 VAL 82 3HG1 VAL 82 -10.180 7.676 -2.442 636 HG21 VAL 82 3HG2 VAL 82 -12.481 7.042 -2.381 637 HG22 VAL 82 1HG2 VAL 82 -12.903 8.600 -3.125 638 HG23 VAL 82 2HG2 VAL 82 -13.509 7.086 -3.815 639 H HIS 83 H HIS 83 -10.328 6.396 -7.019 640 HA HIS 83 HA HIS 83 -7.880 7.782 -7.494 641 HB2 HIS 83 1HB HIS 83 -7.964 5.445 -7.922 642 HB3 HIS 83 2HB HIS 83 -9.352 5.587 -8.984 643 HD1 HIS 83 1HD HIS 83 -5.561 5.977 -9.077 644 HD2 HIS 83 2HD HIS 83 -8.948 6.308 -11.533 645 HE1 HIS 83 1HE HIS 83 -4.679 6.151 -11.449 646 H ILE 84 H ILE 84 -10.878 7.723 -9.501 647 HA ILE 84 HA ILE 84 -9.869 9.477 -11.520 648 HB ILE 84 HB ILE 84 -12.683 8.732 -10.684 649 HG12 ILE 84 1HG1 ILE 84 -11.042 7.980 -13.154 650 HG13 ILE 84 2HG1 ILE 84 -11.110 6.992 -11.706 651 HG21 ILE 84 1HG2 ILE 84 -13.432 9.732 -12.849 652 HG22 ILE 84 2HG2 ILE 84 -12.829 10.937 -11.727 653 HG23 ILE 84 3HG2 ILE 84 -11.800 10.404 -13.081 654 HD11 ILE 84 3HD1 ILE 84 -12.624 6.063 -13.297 655 HD12 ILE 84 1HD1 ILE 84 -13.577 6.756 -11.971 656 HD13 ILE 84 2HD1 ILE 84 -13.455 7.606 -13.531 657 H GLU 85 H GLU 85 -11.750 10.263 -8.561 658 HA GLU 85 HA GLU 85 -11.838 13.073 -9.045 659 HB2 GLU 85 1HB GLU 85 -11.967 11.434 -6.481 660 HB3 GLU 85 2HB GLU 85 -12.166 13.188 -6.516 661 HG2 GLU 85 1HG GLU 85 -14.067 12.967 -8.076 662 HG3 GLU 85 2HG GLU 85 -13.941 11.218 -8.018 663 H ARG 86 H ARG 86 -9.402 11.148 -7.233 664 HA ARG 86 HA ARG 86 -7.926 13.544 -6.419 665 HB2 ARG 86 1HB ARG 86 -7.355 10.572 -6.120 666 HB3 ARG 86 2HB ARG 86 -6.313 11.851 -5.487 667 HG2 ARG 86 1HG ARG 86 -8.189 12.747 -4.134 668 HG3 ARG 86 2HG ARG 86 -9.236 11.435 -4.710 669 HD2 ARG 86 1HD ARG 86 -7.676 9.771 -3.753 670 HD3 ARG 86 2HD ARG 86 -6.629 11.084 -3.176 671 HE ARG 86 HE ARG 86 -9.181 11.611 -2.127 672 HH11 ARG 86 2HH1 ARG 86 -6.798 9.072 -1.726 673 HH12 ARG 86 1HH1 ARG 86 -7.342 8.690 -0.116 674 HH21 ARG 86 2HH2 ARG 86 -9.824 11.071 -0.069 675 HH22 ARG 86 1HH2 ARG 86 -9.010 9.799 0.791 676 H VAL 87 H VAL 87 -7.455 11.149 -8.991 677 HA VAL 87 HA VAL 87 -4.792 12.308 -9.609 678 HB VAL 87 HB VAL 87 -6.125 9.855 -10.796 679 HG11 VAL 87 1HG1 VAL 87 -4.334 10.729 -12.239 680 HG12 VAL 87 2HG1 VAL 87 -3.229 10.804 -10.850 681 HG13 VAL 87 3HG1 VAL 87 -3.819 9.239 -11.453 682 HG21 VAL 87 3HG2 VAL 87 -4.571 8.587 -9.312 683 HG22 VAL 87 1HG2 VAL 87 -4.069 10.109 -8.547 684 HG23 VAL 87 2HG2 VAL 87 -5.734 9.519 -8.371 685 H HIS 88 H HIS 88 -8.012 12.042 -11.153 686 HA HIS 88 HA HIS 88 -6.872 13.391 -13.571 687 HB2 HIS 88 1HB HIS 88 -9.280 11.573 -13.341 688 HB3 HIS 88 2HB HIS 88 -8.612 12.260 -14.820 689 HD1 HIS 88 1HD HIS 88 -5.751 11.516 -15.039 690 HD2 HIS 88 2HD HIS 88 -8.533 9.120 -13.007 691 HE1 HIS 88 1HE HIS 88 -4.749 9.183 -14.985 692 H LYS 89 H LYS 89 -9.801 13.513 -11.466 693 HA LYS 89 HA LYS 89 -10.718 15.949 -12.861 694 HB2 LYS 89 1HB LYS 89 -11.925 14.542 -10.470 695 HB3 LYS 89 2HB LYS 89 -12.642 15.873 -11.372 696 HG2 LYS 89 1HG LYS 89 -12.546 14.473 -13.443 697 HG3 LYS 89 2HG LYS 89 -12.040 13.092 -12.466 698 HD2 LYS 89 1HD LYS 89 -14.115 13.198 -11.163 699 HD3 LYS 89 2HD LYS 89 -14.631 14.657 -12.016 700 HE2 LYS 89 1HE LYS 89 -14.158 11.948 -13.344 701 HE3 LYS 89 2HE LYS 89 -15.732 12.535 -12.798 702 HZ1 LYS 89 3HZ LYS 89 -15.491 14.411 -14.353 703 HZ2 LYS 89 1HZ LYS 89 -15.438 12.987 -15.146 704 HZ3 LYS 89 2HZ LYS 89 -14.064 13.817 -14.898 705 H LYS 90 H LYS 90 -8.443 15.527 -10.516 706 HA LYS 90 HA LYS 90 -8.854 17.740 -8.765 707 HB2 LYS 90 1HB LYS 90 -7.284 15.818 -8.444 708 HB3 LYS 90 2HB LYS 90 -6.265 16.440 -9.731 709 HG2 LYS 90 1HG LYS 90 -5.339 16.953 -7.535 710 HG3 LYS 90 2HG LYS 90 -5.710 18.424 -8.418 711 HD2 LYS 90 1HD LYS 90 -6.289 18.628 -6.051 712 HD3 LYS 90 2HD LYS 90 -7.734 18.779 -7.052 713 HE2 LYS 90 1HE LYS 90 -8.323 16.410 -6.567 714 HE3 LYS 90 2HE LYS 90 -6.846 16.235 -5.608 715 HZ1 LYS 90 3HZ LYS 90 -9.072 18.104 -4.974 716 HZ2 LYS 90 1HZ LYS 90 -7.709 17.935 -4.089 717 HZ3 LYS 90 2HZ LYS 90 -8.771 16.703 -4.196 718 H ILE 91 H ILE 91 -7.672 17.654 -12.041 719 HA ILE 91 HA ILE 91 -7.179 20.608 -12.038 720 HB ILE 91 HB ILE 91 -5.974 18.489 -13.850 721 HG12 ILE 91 1HG1 ILE 91 -4.935 18.321 -11.653 722 HG13 ILE 91 2HG1 ILE 91 -3.818 18.961 -12.837 723 HG21 ILE 91 1HG2 ILE 91 -4.515 20.366 -14.654 724 HG22 ILE 91 2HG2 ILE 91 -6.209 20.532 -15.104 725 HG23 ILE 91 3HG2 ILE 91 -5.552 21.504 -13.769 726 HD11 ILE 91 3HD1 ILE 91 -5.279 20.628 -10.736 727 HD12 ILE 91 1HD1 ILE 91 -3.590 20.103 -10.676 728 HD13 ILE 91 2HD1 ILE 91 -4.107 21.247 -11.924 729 H LYS 92 H LYS 92 -8.217 21.828 -13.550 730 HA LYS 92 HA LYS 92 -9.840 20.603 -15.690 731 HB2 LYS 92 1HB LYS 92 -11.319 20.767 -13.671 732 HB3 LYS 92 2HB LYS 92 -11.046 22.516 -13.649 733 HG2 LYS 92 1HG LYS 92 -12.068 22.692 -15.919 734 HG3 LYS 92 2HG LYS 92 -12.250 20.935 -15.972 735 HD2 LYS 92 1HD LYS 92 -14.380 21.912 -15.445 736 HD3 LYS 92 2HD LYS 92 -13.795 21.047 -14.016 737 HE2 LYS 92 1HE LYS 92 -13.036 23.195 -13.023 738 HE3 LYS 92 2HE LYS 92 -13.551 24.059 -14.478 739 HZ1 LYS 92 3HZ LYS 92 -15.228 24.193 -12.729 740 HZ2 LYS 92 1HZ LYS 92 -15.366 22.571 -12.653 741 HZ3 LYS 92 2HZ LYS 92 -15.839 23.371 -13.997 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -3.320 17.229 -5.844 2 H2 GLY 1 2H GLY 1 -2.168 18.103 -5.073 3 H3 GLY 1 3H GLY 1 -1.743 17.028 -6.236 4 HA2 GLY 1 1HA GLY 1 -3.312 19.484 -6.677 5 HA3 GLY 1 2HA GLY 1 -1.598 19.280 -7.083 6 H SER 2 H SER 2 -3.770 19.960 -8.887 7 HA SER 2 HA SER 2 -4.250 17.596 -10.584 8 HB2 SER 2 1HB SER 2 -5.685 19.048 -11.846 9 HB3 SER 2 2HB SER 2 -6.010 19.300 -10.126 10 HG SER 2 HG SER 2 -5.829 21.302 -11.147 11 H SER 3 H SER 3 -4.077 18.202 -13.070 12 HA SER 3 HA SER 3 -1.307 18.625 -13.833 13 HB2 SER 3 1HB SER 3 -2.256 18.430 -16.120 14 HB3 SER 3 2HB SER 3 -2.802 17.114 -15.062 15 HG SER 3 HG SER 3 -4.520 18.115 -16.294 16 H GLY 4 H GLY 4 -3.781 20.847 -13.017 17 HA2 GLY 4 1HA GLY 4 -4.008 23.127 -13.308 18 HA3 GLY 4 2HA GLY 4 -2.496 23.170 -14.223 19 H SER 5 H SER 5 -4.630 20.837 -15.485 20 HA SER 5 HA SER 5 -5.793 22.642 -17.569 21 HB2 SER 5 1HB SER 5 -4.287 20.029 -18.003 22 HB3 SER 5 2HB SER 5 -5.204 20.897 -19.245 23 HG SER 5 HG SER 5 -2.922 21.842 -17.823 24 H SER 6 H SER 6 -7.466 21.440 -18.920 25 HA SER 6 HA SER 6 -9.437 20.129 -17.241 26 HB2 SER 6 1HB SER 6 -10.688 19.927 -19.393 27 HB3 SER 6 2HB SER 6 -10.170 21.577 -19.002 28 HG SER 6 HG SER 6 -9.747 21.028 -21.199 29 H GLY 7 H GLY 7 -7.101 18.997 -19.658 30 HA2 GLY 7 1HA GLY 7 -7.797 16.138 -19.215 31 HA3 GLY 7 2HA GLY 7 -6.670 16.772 -20.407 32 H LYS 8 H LYS 8 -6.052 14.611 -18.791 33 HA LYS 8 HA LYS 8 -3.622 15.598 -17.420 34 HB2 LYS 8 1HB LYS 8 -5.321 15.370 -15.651 35 HB3 LYS 8 2HB LYS 8 -5.625 13.694 -16.131 36 HG2 LYS 8 1HG LYS 8 -3.412 13.012 -15.405 37 HG3 LYS 8 2HG LYS 8 -2.892 14.690 -15.217 38 HD2 LYS 8 1HD LYS 8 -3.327 13.649 -13.046 39 HD3 LYS 8 2HD LYS 8 -4.412 15.017 -13.337 40 HE2 LYS 8 1HE LYS 8 -6.232 13.458 -13.973 41 HE3 LYS 8 2HE LYS 8 -5.148 12.081 -13.747 42 HZ1 LYS 8 3HZ LYS 8 -5.997 13.967 -11.607 43 HZ2 LYS 8 1HZ LYS 8 -4.981 12.707 -11.382 44 HZ3 LYS 8 2HZ LYS 8 -6.538 12.439 -11.789 45 H ILE 9 H ILE 9 -1.906 14.254 -17.504 46 HA ILE 9 HA ILE 9 -2.033 11.801 -19.196 47 HB ILE 9 HB ILE 9 -0.287 14.254 -19.687 48 HG12 ILE 9 1HG1 ILE 9 -2.560 13.080 -21.360 49 HG13 ILE 9 2HG1 ILE 9 -2.614 14.594 -20.456 50 HG21 ILE 9 1HG2 ILE 9 0.558 13.023 -21.667 51 HG22 ILE 9 2HG2 ILE 9 0.961 12.197 -20.187 52 HG23 ILE 9 3HG2 ILE 9 -0.389 11.598 -21.185 53 HD11 ILE 9 3HD1 ILE 9 -0.959 14.062 -22.929 54 HD12 ILE 9 1HD1 ILE 9 -2.311 15.180 -22.715 55 HD13 ILE 9 2HD1 ILE 9 -0.774 15.500 -21.889 56 H PHE 10 H PHE 10 -0.315 10.350 -18.869 57 HA PHE 10 HA PHE 10 1.384 10.831 -16.449 58 HB2 PHE 10 1HB PHE 10 -0.049 8.305 -17.346 59 HB3 PHE 10 2HB PHE 10 1.090 8.400 -16.013 60 HD1 PHE 10 1HD PHE 10 -2.293 9.398 -17.164 61 HD2 PHE 10 2HD PHE 10 0.508 9.447 -13.885 62 HE1 PHE 10 1HE PHE 10 -4.103 10.135 -15.630 63 HE2 PHE 10 2HE PHE 10 -1.302 10.185 -12.351 64 HZ PHE 10 HZ PHE 10 -3.604 10.530 -13.220 65 H THR 11 H THR 11 3.544 10.263 -16.562 66 HA THR 11 HA THR 11 4.568 9.244 -19.180 67 HB THR 11 HB THR 11 5.595 11.648 -17.638 68 HG1 THR 11 1HG THR 11 4.716 12.833 -19.316 69 HG21 THR 11 3HG2 THR 11 6.308 10.564 -20.395 70 HG22 THR 11 1HG2 THR 11 7.365 10.581 -18.963 71 HG23 THR 11 2HG2 THR 11 6.877 12.104 -19.712 72 H CYS 12 H CYS 12 6.264 7.909 -19.126 73 HA CYS 12 HA CYS 12 7.261 6.798 -16.631 74 HB2 CYS 12 1HB CYS 12 6.844 5.447 -18.612 75 HB3 CYS 12 2HB CYS 12 8.017 6.404 -19.546 76 H GLU 13 H GLU 13 9.017 7.368 -15.525 77 HA GLU 13 HA GLU 13 10.710 9.599 -16.445 78 HB2 GLU 13 1HB GLU 13 11.568 9.673 -14.213 79 HB3 GLU 13 2HB GLU 13 9.809 9.594 -14.166 80 HG2 GLU 13 1HG GLU 13 9.949 7.150 -13.647 81 HG3 GLU 13 2HG GLU 13 11.712 7.262 -13.662 82 H TYR 14 H TYR 14 10.849 6.288 -16.899 83 HA TYR 14 HA TYR 14 13.830 6.133 -16.753 84 HB2 TYR 14 1HB TYR 14 11.738 3.965 -16.967 85 HB3 TYR 14 2HB TYR 14 13.465 3.709 -16.820 86 HD1 TYR 14 2HD TYR 14 14.655 4.368 -14.685 87 HD2 TYR 14 1HD TYR 14 10.355 4.364 -15.046 88 HE1 TYR 14 2HE TYR 14 14.448 4.321 -12.204 89 HE2 TYR 14 1HE TYR 14 10.154 4.316 -12.559 90 HH TYR 14 HH TYR 14 13.020 4.280 -10.411 91 H CYS 15 H CYS 15 11.154 5.806 -19.074 92 HA CYS 15 HA CYS 15 13.154 5.778 -21.266 93 HB2 CYS 15 1HB CYS 15 12.019 4.093 -22.494 94 HB3 CYS 15 2HB CYS 15 12.489 3.476 -20.911 95 H ASN 16 H ASN 16 11.008 7.706 -20.025 96 HA ASN 16 HA ASN 16 9.785 9.460 -20.667 97 HB2 ASN 16 1HB ASN 16 11.512 9.290 -23.151 98 HB3 ASN 16 2HB ASN 16 10.575 10.693 -22.659 99 HD21 ASN 16 1HD2 ASN 16 13.243 11.020 -23.075 100 HD22 ASN 16 2HD2 ASN 16 14.032 11.280 -21.526 101 H LYS 17 H LYS 17 8.753 6.704 -21.690 102 HA LYS 17 HA LYS 17 6.949 7.316 -23.863 103 HB2 LYS 17 1HB LYS 17 7.022 5.167 -21.721 104 HB3 LYS 17 2HB LYS 17 5.721 5.257 -22.930 105 HG2 LYS 17 1HG LYS 17 7.341 5.016 -24.756 106 HG3 LYS 17 2HG LYS 17 8.673 5.025 -23.581 107 HD2 LYS 17 1HD LYS 17 7.560 3.010 -22.468 108 HD3 LYS 17 2HD LYS 17 6.413 2.974 -23.803 109 HE2 LYS 17 1HE LYS 17 8.187 1.328 -24.053 110 HE3 LYS 17 2HE LYS 17 8.191 2.484 -25.391 111 HZ1 LYS 17 3HZ LYS 17 10.092 3.563 -24.465 112 HZ2 LYS 17 1HZ LYS 17 10.447 1.970 -24.383 113 HZ3 LYS 17 2HZ LYS 17 9.982 2.802 -23.035 114 H VAL 18 H VAL 18 4.774 7.619 -23.846 115 HA VAL 18 HA VAL 18 3.646 9.040 -21.456 116 HB VAL 18 HB VAL 18 3.214 9.688 -24.394 117 HG11 VAL 18 1HG1 VAL 18 1.230 10.262 -23.052 118 HG12 VAL 18 2HG1 VAL 18 2.270 11.067 -21.851 119 HG13 VAL 18 3HG1 VAL 18 2.101 11.731 -23.491 120 HG21 VAL 18 3HG2 VAL 18 4.435 11.787 -23.866 121 HG22 VAL 18 1HG2 VAL 18 4.775 11.178 -22.233 122 HG23 VAL 18 2HG2 VAL 18 5.474 10.378 -23.658 123 H PHE 19 H PHE 19 1.660 8.579 -20.786 124 HA PHE 19 HA PHE 19 0.011 6.528 -22.188 125 HB2 PHE 19 1HB PHE 19 0.781 6.570 -19.243 126 HB3 PHE 19 2HB PHE 19 -0.279 5.408 -20.022 127 HD1 PHE 19 2HD PHE 19 0.640 3.693 -21.599 128 HD2 PHE 19 1HD PHE 19 3.210 6.423 -19.473 129 HE1 PHE 19 2HE PHE 19 2.614 2.318 -22.217 130 HE2 PHE 19 1HE PHE 19 5.178 5.043 -20.085 131 HZ PHE 19 HZ PHE 19 4.896 3.006 -21.499 132 H LYS 20 H LYS 20 -2.188 6.665 -21.893 133 HA LYS 20 HA LYS 20 -3.261 9.279 -21.291 134 HB2 LYS 20 1HB LYS 20 -4.034 7.720 -23.094 135 HB3 LYS 20 2HB LYS 20 -4.728 6.665 -21.857 136 HG2 LYS 20 1HG LYS 20 -6.281 8.437 -21.166 137 HG3 LYS 20 2HG LYS 20 -5.495 9.595 -22.258 138 HD2 LYS 20 1HD LYS 20 -6.190 8.254 -24.209 139 HD3 LYS 20 2HD LYS 20 -6.933 7.049 -23.137 140 HE2 LYS 20 1HE LYS 20 -8.466 8.789 -22.246 141 HE3 LYS 20 2HE LYS 20 -7.721 9.994 -23.303 142 HZ1 LYS 20 3HZ LYS 20 -8.489 8.699 -25.219 143 HZ2 LYS 20 1HZ LYS 20 -9.758 9.102 -24.280 144 HZ3 LYS 20 2HZ LYS 20 -9.176 7.579 -24.248 145 H PHE 21 H PHE 21 -3.040 6.348 -19.398 146 HA PHE 21 HA PHE 21 -4.554 7.620 -17.156 147 HB2 PHE 21 1HB PHE 21 -4.763 4.727 -18.063 148 HB3 PHE 21 2HB PHE 21 -5.589 5.455 -16.696 149 HD1 PHE 21 2HD PHE 21 -7.196 7.475 -17.207 150 HD2 PHE 21 1HD PHE 21 -5.857 4.629 -20.159 151 HE1 PHE 21 2HE PHE 21 -9.151 8.034 -18.635 152 HE2 PHE 21 1HE PHE 21 -7.822 5.176 -21.574 153 HZ PHE 21 HZ PHE 21 -9.473 6.878 -20.814 154 H LYS 22 H LYS 22 -4.030 6.951 -15.062 155 HA LYS 22 HA LYS 22 -1.272 6.471 -14.557 156 HB2 LYS 22 1HB LYS 22 -2.991 7.650 -13.095 157 HB3 LYS 22 2HB LYS 22 -3.558 6.064 -12.577 158 HG2 LYS 22 1HG LYS 22 -1.385 5.539 -11.606 159 HG3 LYS 22 2HG LYS 22 -0.649 6.967 -12.351 160 HD2 LYS 22 1HD LYS 22 -2.194 8.423 -10.974 161 HD3 LYS 22 2HD LYS 22 -2.832 6.964 -10.220 162 HE2 LYS 22 1HE LYS 22 -1.248 7.960 -8.730 163 HE3 LYS 22 2HE LYS 22 -0.581 6.433 -9.321 164 HZ1 LYS 22 3HZ LYS 22 0.808 7.738 -10.860 165 HZ2 LYS 22 1HZ LYS 22 1.073 8.212 -9.324 166 HZ3 LYS 22 2HZ LYS 22 0.166 9.142 -10.304 167 H HIS 23 H HIS 23 -4.018 4.183 -14.548 168 HA HIS 23 HA HIS 23 -2.540 1.966 -13.524 169 HB2 HIS 23 1HB HIS 23 -4.365 0.585 -14.408 170 HB3 HIS 23 2HB HIS 23 -4.918 1.950 -13.455 171 HD1 HIS 23 1HD HIS 23 -6.784 3.392 -14.570 172 HD2 HIS 23 2HD HIS 23 -4.666 0.901 -17.223 173 HE1 HIS 23 1HE HIS 23 -7.983 3.548 -16.814 174 H SER 24 H SER 24 -2.794 3.222 -16.854 175 HA SER 24 HA SER 24 -1.454 1.007 -18.122 176 HB2 SER 24 1HB SER 24 -1.621 3.914 -18.986 177 HB3 SER 24 2HB SER 24 -1.127 2.540 -19.995 178 HG SER 24 HG SER 24 -3.313 2.964 -20.344 179 H LEU 25 H LEU 25 -0.244 4.125 -16.763 180 HA LEU 25 HA LEU 25 2.522 3.547 -17.328 181 HB2 LEU 25 1HB LEU 25 1.776 5.820 -16.917 182 HB3 LEU 25 2HB LEU 25 1.219 5.394 -15.297 183 HG LEU 25 HG LEU 25 3.539 4.937 -14.584 184 HD11 LEU 25 1HD1 LEU 25 4.561 4.260 -16.740 185 HD12 LEU 25 2HD1 LEU 25 5.447 5.585 -15.992 186 HD13 LEU 25 3HD1 LEU 25 4.356 5.915 -17.356 187 HD21 LEU 25 3HD2 LEU 25 2.598 7.209 -14.341 188 HD22 LEU 25 1HD2 LEU 25 3.286 7.641 -15.928 189 HD23 LEU 25 2HD2 LEU 25 4.356 7.224 -14.577 190 H GLN 26 H GLN 26 0.497 2.931 -14.409 191 HA GLN 26 HA GLN 26 2.528 1.798 -12.775 192 HB2 GLN 26 1HB GLN 26 -0.473 1.403 -12.949 193 HB3 GLN 26 2HB GLN 26 0.497 0.559 -11.750 194 HG2 GLN 26 1HG GLN 26 1.288 2.661 -10.794 195 HG3 GLN 26 2HG GLN 26 0.488 3.604 -12.033 196 HE21 GLN 26 1HE2 GLN 26 0.109 3.777 -9.103 197 HE22 GLN 26 2HE2 GLN 26 -1.599 3.446 -8.854 198 H ALA 27 H ALA 27 0.445 0.178 -15.219 199 HA ALA 27 HA ALA 27 1.611 -2.427 -14.767 200 HB1 ALA 27 1HB ALA 27 0.064 -1.302 -17.126 201 HB2 ALA 27 2HB ALA 27 0.384 -3.022 -16.796 202 HB3 ALA 27 3HB ALA 27 -0.632 -2.077 -15.680 203 H HIS 28 H HIS 28 2.443 0.276 -16.960 204 HA HIS 28 HA HIS 28 4.463 -1.143 -18.454 205 HB2 HIS 28 1HB HIS 28 3.527 0.881 -19.347 206 HB3 HIS 28 2HB HIS 28 3.946 1.800 -17.902 207 HD1 HIS 28 1HD HIS 28 5.860 -0.090 -20.700 208 HD2 HIS 28 2HD HIS 28 6.257 2.982 -17.855 209 HE1 HIS 28 1HE HIS 28 8.173 0.879 -21.051 210 H LEU 29 H LEU 29 4.628 0.826 -15.461 211 HA LEU 29 HA LEU 29 7.421 0.878 -15.150 212 HB2 LEU 29 1HB LEU 29 5.085 1.036 -13.225 213 HB3 LEU 29 2HB LEU 29 6.731 1.114 -12.619 214 HG LEU 29 HG LEU 29 5.730 3.025 -14.766 215 HD11 LEU 29 1HD1 LEU 29 5.461 4.667 -12.936 216 HD12 LEU 29 2HD1 LEU 29 5.828 3.402 -11.740 217 HD13 LEU 29 3HD1 LEU 29 4.358 3.298 -12.736 218 HD21 LEU 29 3HD2 LEU 29 8.190 2.858 -14.583 219 HD22 LEU 29 1HD2 LEU 29 8.081 3.137 -12.833 220 HD23 LEU 29 2HD2 LEU 29 7.616 4.414 -13.981 221 H ARG 30 H ARG 30 5.439 -1.920 -14.786 222 HA ARG 30 HA ARG 30 6.961 -3.415 -12.876 223 HB2 ARG 30 1HB ARG 30 5.396 -4.452 -15.273 224 HB3 ARG 30 2HB ARG 30 5.852 -5.377 -13.836 225 HG2 ARG 30 1HG ARG 30 4.419 -3.881 -12.426 226 HG3 ARG 30 2HG ARG 30 3.961 -2.988 -13.875 227 HD2 ARG 30 1HD ARG 30 2.191 -4.403 -13.791 228 HD3 ARG 30 2HD ARG 30 3.268 -5.358 -14.810 229 HE ARG 30 HE ARG 30 3.412 -5.817 -11.880 230 HH11 ARG 30 1HH2 ARG 30 1.921 -6.999 -14.861 231 HH12 ARG 30 2HH2 ARG 30 1.301 -8.408 -14.027 232 HH21 ARG 30 2HH1 ARG 30 2.518 -7.653 -10.972 233 HH22 ARG 30 1HH1 ARG 30 1.583 -8.708 -12.005 234 H ILE 31 H ILE 31 7.873 -2.560 -16.129 235 HA ILE 31 HA ILE 31 9.940 -4.645 -16.289 236 HB ILE 31 HB ILE 31 10.472 -3.866 -18.371 237 HG12 ILE 31 1HG1 ILE 31 8.925 -1.301 -17.890 238 HG13 ILE 31 2HG1 ILE 31 10.668 -1.486 -18.062 239 HG21 ILE 31 1HG2 ILE 31 8.288 -5.085 -18.086 240 HG22 ILE 31 2HG2 ILE 31 7.457 -3.518 -18.245 241 HG23 ILE 31 3HG2 ILE 31 8.428 -4.163 -19.583 242 HD11 ILE 31 3HD1 ILE 31 10.321 -2.352 -20.383 243 HD12 ILE 31 1HD1 ILE 31 8.601 -1.904 -20.234 244 HD13 ILE 31 2HD1 ILE 31 9.858 -0.656 -20.131 245 H HIS 32 H HIS 32 9.732 -1.341 -15.201 246 HA HIS 32 HA HIS 32 12.678 -0.981 -15.108 247 HB2 HIS 32 1HB HIS 32 10.416 0.910 -14.365 248 HB3 HIS 32 2HB HIS 32 12.127 1.313 -14.455 249 HD1 HIS 32 1HD HIS 32 13.128 0.686 -17.186 250 HD2 HIS 32 2HD HIS 32 9.144 1.769 -16.420 251 HE1 HIS 32 1HE HIS 32 12.234 1.628 -19.373 252 H THR 33 H THR 33 9.914 -1.358 -12.931 253 HA THR 33 HA THR 33 11.556 -1.243 -10.482 254 HB THR 33 HB THR 33 9.435 -1.534 -9.286 255 HG1 THR 33 1HG THR 33 8.227 -1.408 -11.851 256 HG21 THR 33 3HG2 THR 33 10.163 0.744 -9.918 257 HG22 THR 33 1HG2 THR 33 8.398 0.590 -9.871 258 HG23 THR 33 2HG2 THR 33 9.244 0.625 -11.433 259 H ASN 34 H ASN 34 12.340 -3.263 -12.228 260 HA ASN 34 HA ASN 34 11.053 -5.764 -11.679 261 HB2 ASN 34 1HB ASN 34 12.059 -4.987 -13.868 262 HB3 ASN 34 2HB ASN 34 13.659 -5.231 -13.162 263 HD21 ASN 34 1HD2 ASN 34 14.198 -6.880 -14.707 264 HD22 ASN 34 2HD2 ASN 34 13.392 -8.441 -14.679 265 H GLU 35 H GLU 35 11.835 -4.869 -9.241 266 HA GLU 35 HA GLU 35 14.197 -6.473 -8.366 267 HB2 GLU 35 1HB GLU 35 12.508 -4.422 -6.884 268 HB3 GLU 35 2HB GLU 35 13.983 -5.197 -6.287 269 HG2 GLU 35 1HG GLU 35 15.247 -4.197 -8.210 270 HG3 GLU 35 2HG GLU 35 13.783 -3.342 -8.703 271 H LYS 36 H LYS 36 10.762 -6.654 -8.406 272 HA LYS 36 HA LYS 36 10.654 -8.741 -6.261 273 HB2 LYS 36 1HB LYS 36 8.617 -6.793 -7.345 274 HB3 LYS 36 2HB LYS 36 8.125 -8.297 -6.586 275 HG2 LYS 36 1HG LYS 36 8.006 -6.598 -4.953 276 HG3 LYS 36 2HG LYS 36 9.309 -7.699 -4.508 277 HD2 LYS 36 1HD LYS 36 10.992 -6.102 -5.238 278 HD3 LYS 36 2HD LYS 36 9.763 -5.013 -5.898 279 HE2 LYS 36 1HE LYS 36 10.005 -5.807 -2.956 280 HE3 LYS 36 2HE LYS 36 10.753 -4.369 -3.653 281 HZ1 LYS 36 3HZ LYS 36 8.630 -3.820 -2.647 282 HZ2 LYS 36 1HZ LYS 36 7.825 -4.880 -3.589 283 HZ3 LYS 36 2HZ LYS 36 8.536 -3.563 -4.254 284 HA PRO 37 HA PRO 37 10.389 -11.305 -9.992 285 HB2 PRO 37 1HB PRO 37 10.632 -13.787 -8.823 286 HB3 PRO 37 2HB PRO 37 11.984 -12.652 -9.069 287 HG2 PRO 37 1HG PRO 37 10.357 -13.054 -6.552 288 HG3 PRO 37 2HG PRO 37 12.141 -13.018 -6.721 289 HD2 PRO 37 1HD PRO 37 10.756 -10.825 -5.956 290 HD3 PRO 37 2HD PRO 37 12.146 -10.675 -7.065 291 H TYR 38 H TYR 38 8.344 -11.937 -7.133 292 HA TYR 38 HA TYR 38 6.569 -13.693 -8.659 293 HB2 TYR 38 1HB TYR 38 6.479 -12.788 -5.775 294 HB3 TYR 38 2HB TYR 38 5.379 -13.945 -6.496 295 HD1 TYR 38 1HD TYR 38 6.458 -16.011 -7.723 296 HD2 TYR 38 2HD TYR 38 8.477 -13.571 -4.809 297 HE1 TYR 38 1HE TYR 38 8.106 -17.844 -7.327 298 HE2 TYR 38 2HE TYR 38 10.118 -15.403 -4.393 299 HH TYR 38 HH TYR 38 10.785 -17.524 -4.966 300 H LYS 39 H LYS 39 5.896 -12.272 -10.240 301 HA LYS 39 HA LYS 39 4.242 -9.923 -9.586 302 HB2 LYS 39 1HB LYS 39 5.238 -11.135 -12.185 303 HB3 LYS 39 2HB LYS 39 4.167 -9.733 -12.128 304 HG2 LYS 39 1HG LYS 39 5.798 -8.477 -10.795 305 HG3 LYS 39 2HG LYS 39 6.862 -9.883 -10.727 306 HD2 LYS 39 1HD LYS 39 6.978 -9.764 -13.281 307 HD3 LYS 39 2HD LYS 39 6.138 -8.198 -13.161 308 HE2 LYS 39 1HE LYS 39 7.972 -7.405 -11.609 309 HE3 LYS 39 2HE LYS 39 8.771 -8.964 -11.815 310 HZ1 LYS 39 3HZ LYS 39 8.470 -6.815 -13.819 311 HZ2 LYS 39 1HZ LYS 39 8.727 -8.371 -14.303 312 HZ3 LYS 39 2HZ LYS 39 9.816 -7.619 -13.358 313 H CYS 40 H CYS 40 2.160 -9.677 -9.766 314 HA CYS 40 HA CYS 40 0.361 -11.912 -9.860 315 HB2 CYS 40 1HB CYS 40 -0.014 -9.954 -8.509 316 HB3 CYS 40 2HB CYS 40 -0.107 -8.920 -9.955 317 HA PRO 41 HA PRO 41 -0.327 -11.763 -14.358 318 HB2 PRO 41 1HB PRO 41 -2.146 -13.767 -14.607 319 HB3 PRO 41 2HB PRO 41 -0.433 -14.078 -14.194 320 HG2 PRO 41 1HG PRO 41 -2.801 -13.915 -12.308 321 HG3 PRO 41 2HG PRO 41 -1.517 -15.159 -12.370 322 HD2 PRO 41 1HD PRO 41 -1.476 -12.992 -10.653 323 HD3 PRO 41 2HD PRO 41 0.010 -13.767 -11.280 324 H GLN 42 H GLN 42 -2.527 -10.832 -11.883 325 HA GLN 42 HA GLN 42 -4.660 -10.063 -13.840 326 HB2 GLN 42 1HB GLN 42 -4.802 -10.879 -10.923 327 HB3 GLN 42 2HB GLN 42 -6.156 -10.171 -11.815 328 HG2 GLN 42 1HG GLN 42 -6.072 -12.002 -13.464 329 HG3 GLN 42 2HG GLN 42 -4.714 -12.734 -12.615 330 HE21 GLN 42 1HE2 GLN 42 -5.092 -13.596 -10.395 331 HE22 GLN 42 2HE2 GLN 42 -6.731 -14.085 -9.982 332 H CYS 43 H CYS 43 -2.467 -8.628 -11.426 333 HA CYS 43 HA CYS 43 -3.399 -6.011 -12.397 334 HB2 CYS 43 1HB CYS 43 -3.659 -5.056 -10.196 335 HB3 CYS 43 2HB CYS 43 -4.756 -6.416 -10.384 336 H SER 44 H SER 44 -1.843 -4.353 -10.883 337 HA SER 44 HA SER 44 0.740 -4.741 -12.111 338 HB2 SER 44 1HB SER 44 1.269 -2.548 -11.080 339 HB3 SER 44 2HB SER 44 -0.233 -2.544 -12.021 340 HG SER 44 HG SER 44 -0.481 -1.507 -9.973 341 H TYR 45 H TYR 45 -0.448 -5.845 -9.128 342 HA TYR 45 HA TYR 45 1.492 -5.461 -7.227 343 HB2 TYR 45 1HB TYR 45 -0.643 -6.484 -6.809 344 HB3 TYR 45 2HB TYR 45 -0.273 -7.847 -7.842 345 HD1 TYR 45 1HD TYR 45 1.538 -9.544 -7.041 346 HD2 TYR 45 2HD TYR 45 -0.045 -6.430 -4.499 347 HE1 TYR 45 1HE TYR 45 2.361 -10.760 -5.043 348 HE2 TYR 45 2HE TYR 45 0.741 -7.690 -2.496 349 HH TYR 45 HH TYR 45 2.423 -10.838 -2.783 350 H ALA 46 H ALA 46 3.347 -6.328 -6.560 351 HA ALA 46 HA ALA 46 4.377 -8.823 -7.663 352 HB1 ALA 46 1HB ALA 46 6.521 -7.971 -8.360 353 HB2 ALA 46 2HB ALA 46 5.279 -7.007 -9.181 354 HB3 ALA 46 3HB ALA 46 6.126 -6.333 -7.778 355 H SER 47 H SER 47 5.682 -9.955 -6.219 356 HA SER 47 HA SER 47 6.577 -8.591 -3.719 357 HB2 SER 47 1HB SER 47 5.737 -10.377 -2.353 358 HB3 SER 47 2HB SER 47 4.418 -9.728 -3.325 359 HG SER 47 HG SER 47 4.837 -12.182 -3.169 360 H ALA 48 H ALA 48 8.058 -9.919 -2.404 361 HA ALA 48 HA ALA 48 10.048 -11.363 -4.073 362 HB1 ALA 48 1HB ALA 48 10.287 -10.120 -1.307 363 HB2 ALA 48 2HB ALA 48 11.604 -10.827 -2.266 364 HB3 ALA 48 3HB ALA 48 10.789 -9.360 -2.838 365 H ILE 49 H ILE 49 7.425 -12.283 -2.330 366 HA ILE 49 HA ILE 49 8.617 -14.899 -1.550 367 HB ILE 49 HB ILE 49 6.675 -13.296 0.160 368 HG12 ILE 49 1HG1 ILE 49 9.628 -13.943 0.567 369 HG13 ILE 49 2HG1 ILE 49 8.921 -12.345 0.322 370 HG21 ILE 49 1HG2 ILE 49 6.282 -15.755 0.251 371 HG22 ILE 49 2HG2 ILE 49 7.991 -16.009 0.671 372 HG23 ILE 49 3HG2 ILE 49 6.887 -15.153 1.771 373 HD11 ILE 49 3HD1 ILE 49 7.659 -12.611 2.479 374 HD12 ILE 49 1HD1 ILE 49 8.611 -14.090 2.778 375 HD13 ILE 49 2HD1 ILE 49 9.427 -12.529 2.630 376 H LYS 50 H LYS 50 7.608 -16.494 -2.517 377 HA LYS 50 HA LYS 50 5.366 -16.171 -4.240 378 HB2 LYS 50 1HB LYS 50 7.243 -17.906 -4.321 379 HB3 LYS 50 2HB LYS 50 6.375 -18.804 -3.077 380 HG2 LYS 50 1HG LYS 50 4.405 -18.976 -4.597 381 HG3 LYS 50 2HG LYS 50 5.271 -18.028 -5.821 382 HD2 LYS 50 1HD LYS 50 7.022 -19.793 -5.937 383 HD3 LYS 50 2HD LYS 50 6.141 -20.739 -4.717 384 HE2 LYS 50 1HE LYS 50 4.168 -20.837 -6.230 385 HE3 LYS 50 2HE LYS 50 5.050 -19.902 -7.444 386 HZ1 LYS 50 3HZ LYS 50 5.852 -22.587 -6.449 387 HZ2 LYS 50 1HZ LYS 50 6.669 -21.724 -7.572 388 HZ3 LYS 50 2HZ LYS 50 5.173 -22.284 -7.900 389 H ALA 51 H ALA 51 5.509 -17.434 -0.922 390 HA ALA 51 HA ALA 51 2.791 -18.230 -0.679 391 HB1 ALA 51 1HB ALA 51 4.712 -17.206 1.457 392 HB2 ALA 51 2HB ALA 51 3.232 -18.146 1.733 393 HB3 ALA 51 3HB ALA 51 4.594 -18.884 0.873 394 H ASN 52 H ASN 52 4.209 -14.968 -0.579 395 HA ASN 52 HA ASN 52 1.796 -13.758 0.554 396 HB2 ASN 52 1HB ASN 52 4.182 -12.896 0.820 397 HB3 ASN 52 2HB ASN 52 4.109 -12.378 -0.866 398 HD21 ASN 52 1HD2 ASN 52 4.606 -10.273 0.355 399 HD22 ASN 52 2HD2 ASN 52 3.205 -9.354 0.879 400 H LEU 53 H LEU 53 3.207 -14.140 -2.756 401 HA LEU 53 HA LEU 53 1.064 -12.868 -4.155 402 HB2 LEU 53 1HB LEU 53 3.196 -13.363 -5.220 403 HB3 LEU 53 2HB LEU 53 2.962 -15.094 -4.976 404 HG LEU 53 HG LEU 53 1.012 -15.064 -6.514 405 HD11 LEU 53 1HD1 LEU 53 1.783 -12.158 -7.025 406 HD12 LEU 53 2HD1 LEU 53 0.281 -12.708 -6.247 407 HD13 LEU 53 3HD1 LEU 53 0.585 -13.104 -7.936 408 HD21 LEU 53 3HD2 LEU 53 3.465 -13.796 -7.764 409 HD22 LEU 53 1HD2 LEU 53 2.246 -14.797 -8.574 410 HD23 LEU 53 2HD2 LEU 53 3.308 -15.521 -7.350 411 H ASN 54 H ASN 54 1.455 -16.252 -3.038 412 HA ASN 54 HA ASN 54 -0.910 -17.359 -4.108 413 HB2 ASN 54 1HB ASN 54 0.959 -18.618 -3.118 414 HB3 ASN 54 2HB ASN 54 0.597 -17.956 -1.530 415 HD21 ASN 54 1HD2 ASN 54 -0.530 -19.310 -0.214 416 HD22 ASN 54 2HD2 ASN 54 -1.588 -20.582 -0.791 417 H VAL 55 H VAL 55 -0.552 -15.403 -1.138 418 HA VAL 55 HA VAL 55 -3.417 -15.644 -0.455 419 HB VAL 55 HB VAL 55 -1.189 -13.987 0.739 420 HG11 VAL 55 1HG1 VAL 55 -4.051 -14.376 1.717 421 HG12 VAL 55 2HG1 VAL 55 -2.735 -13.653 2.669 422 HG13 VAL 55 3HG1 VAL 55 -3.304 -12.841 1.212 423 HG21 VAL 55 3HG2 VAL 55 -0.965 -16.430 1.102 424 HG22 VAL 55 1HG2 VAL 55 -1.346 -15.588 2.604 425 HG23 VAL 55 2HG2 VAL 55 -2.618 -16.487 1.742 426 H HIS 56 H HIS 56 -1.317 -13.252 -2.075 427 HA HIS 56 HA HIS 56 -3.297 -11.206 -2.356 428 HB2 HIS 56 1HB HIS 56 -0.961 -10.755 -2.784 429 HB3 HIS 56 2HB HIS 56 -0.910 -11.962 -4.074 430 HD1 HIS 56 1HD HIS 56 -2.646 -8.571 -3.392 431 HD2 HIS 56 2HD HIS 56 -1.653 -11.254 -6.473 432 HE1 HIS 56 1HE HIS 56 -3.437 -7.481 -5.534 433 H LEU 57 H LEU 57 -2.609 -14.030 -4.484 434 HA LEU 57 HA LEU 57 -4.549 -13.449 -6.496 435 HB2 LEU 57 1HB LEU 57 -3.384 -16.010 -5.411 436 HB3 LEU 57 2HB LEU 57 -4.461 -16.003 -6.802 437 HG LEU 57 HG LEU 57 -1.880 -14.373 -6.753 438 HD11 LEU 57 1HD1 LEU 57 -1.376 -16.743 -6.381 439 HD12 LEU 57 2HD1 LEU 57 -0.872 -16.231 -8.004 440 HD13 LEU 57 3HD1 LEU 57 -2.360 -17.189 -7.793 441 HD21 LEU 57 3HD2 LEU 57 -2.117 -14.555 -9.212 442 HD22 LEU 57 1HD2 LEU 57 -3.463 -13.674 -8.480 443 HD23 LEU 57 2HD2 LEU 57 -3.681 -15.366 -9.003 444 H ARG 58 H ARG 58 -4.960 -14.962 -3.330 445 HA ARG 58 HA ARG 58 -7.747 -15.701 -3.667 446 HB2 ARG 58 1HB ARG 58 -6.046 -15.224 -1.192 447 HB3 ARG 58 2HB ARG 58 -7.719 -15.763 -1.123 448 HG2 ARG 58 1HG ARG 58 -7.264 -17.807 -2.222 449 HG3 ARG 58 2HG ARG 58 -5.666 -17.281 -2.767 450 HD2 ARG 58 1HD ARG 58 -4.760 -17.359 -0.528 451 HD3 ARG 58 2HD ARG 58 -6.368 -17.537 0.177 452 HE ARG 58 HE ARG 58 -6.244 -19.796 -0.124 453 HH11 ARG 58 2HH1 ARG 58 -3.928 -18.452 -2.399 454 HH12 ARG 58 1HH1 ARG 58 -3.368 -20.020 -2.884 455 HH21 ARG 58 2HH2 ARG 58 -5.516 -21.767 -0.841 456 HH22 ARG 58 1HH2 ARG 58 -4.319 -21.843 -2.102 457 H LYS 59 H LYS 59 -6.394 -12.567 -3.423 458 HA LYS 59 HA LYS 59 -8.918 -11.318 -2.493 459 HB2 LYS 59 1HB LYS 59 -6.451 -9.950 -3.632 460 HB3 LYS 59 2HB LYS 59 -7.803 -9.210 -2.779 461 HG2 LYS 59 1HG LYS 59 -7.195 -10.586 -0.743 462 HG3 LYS 59 2HG LYS 59 -5.734 -11.111 -1.605 463 HD2 LYS 59 1HD LYS 59 -4.995 -8.761 -1.814 464 HD3 LYS 59 2HD LYS 59 -6.460 -8.225 -0.959 465 HE2 LYS 59 1HE LYS 59 -5.794 -9.620 1.008 466 HE3 LYS 59 2HE LYS 59 -4.306 -10.075 0.168 467 HZ1 LYS 59 3HZ LYS 59 -5.057 -7.300 0.933 468 HZ2 LYS 59 1HZ LYS 59 -3.677 -7.709 0.159 469 HZ3 LYS 59 2HZ LYS 59 -3.940 -8.213 1.688 470 H HIS 60 H HIS 60 -7.654 -12.432 -5.494 471 HA HIS 60 HA HIS 60 -9.253 -10.610 -7.161 472 HB2 HIS 60 1HB HIS 60 -7.310 -12.851 -7.767 473 HB3 HIS 60 2HB HIS 60 -8.307 -12.123 -9.006 474 HD1 HIS 60 1HD HIS 60 -8.086 -9.294 -9.152 475 HD2 HIS 60 2HD HIS 60 -4.988 -11.624 -7.477 476 HE1 HIS 60 1HE HIS 60 -6.018 -7.835 -9.205 477 H THR 61 H THR 61 -11.057 -11.564 -5.572 478 HA THR 61 HA THR 61 -12.487 -13.844 -6.824 479 HB THR 61 HB THR 61 -14.194 -13.361 -5.027 480 HG1 THR 61 1HG THR 61 -13.622 -11.236 -4.519 481 HG21 THR 61 3HG2 THR 61 -12.856 -14.342 -3.220 482 HG22 THR 61 1HG2 THR 61 -11.356 -13.950 -4.088 483 HG23 THR 61 2HG2 THR 61 -12.498 -15.132 -4.765 484 H GLY 62 H GLY 62 -14.487 -13.679 -7.849 485 HA2 GLY 62 1HA GLY 62 -16.204 -12.740 -9.053 486 HA3 GLY 62 2HA GLY 62 -15.979 -11.244 -8.145 487 H GLU 63 H GLU 63 -13.219 -12.406 -9.959 488 HA GLU 63 HA GLU 63 -13.190 -10.080 -11.691 489 HB2 GLU 63 1HB GLU 63 -11.445 -12.567 -11.510 490 HB3 GLU 63 2HB GLU 63 -11.090 -11.209 -12.566 491 HG2 GLU 63 1HG GLU 63 -11.312 -10.955 -9.543 492 HG3 GLU 63 2HG GLU 63 -9.825 -11.325 -10.408 493 H LYS 64 H LYS 64 -12.655 -10.389 -13.957 494 HA LYS 64 HA LYS 64 -14.746 -11.968 -15.333 495 HB2 LYS 64 1HB LYS 64 -12.956 -9.696 -16.172 496 HB3 LYS 64 2HB LYS 64 -13.531 -10.815 -17.409 497 HG2 LYS 64 1HG LYS 64 -15.876 -10.480 -16.621 498 HG3 LYS 64 2HG LYS 64 -15.299 -9.207 -15.523 499 HD2 LYS 64 1HD LYS 64 -14.497 -7.885 -17.432 500 HD3 LYS 64 2HD LYS 64 -14.837 -9.224 -18.541 501 HE2 LYS 64 1HE LYS 64 -17.287 -9.058 -17.768 502 HE3 LYS 64 2HE LYS 64 -16.845 -7.514 -17.023 503 HZ1 LYS 64 3HZ LYS 64 -16.575 -8.224 -19.901 504 HZ2 LYS 64 1HZ LYS 64 -16.112 -6.781 -19.264 505 HZ3 LYS 64 2HZ LYS 64 -17.693 -7.203 -19.282 506 H PHE 65 H PHE 65 -14.542 -13.467 -16.790 507 HA PHE 65 HA PHE 65 -11.900 -14.679 -17.455 508 HB2 PHE 65 1HB PHE 65 -14.568 -16.111 -17.137 509 HB3 PHE 65 2HB PHE 65 -13.011 -16.839 -17.501 510 HD1 PHE 65 2HD PHE 65 -11.275 -17.086 -15.729 511 HD2 PHE 65 1HD PHE 65 -15.147 -15.398 -14.872 512 HE1 PHE 65 2HE PHE 65 -10.846 -17.332 -13.294 513 HE2 PHE 65 1HE PHE 65 -14.724 -15.654 -12.440 514 HZ PHE 65 HZ PHE 65 -12.567 -16.605 -11.646 515 H ALA 66 H ALA 66 -11.732 -15.405 -19.661 516 HA ALA 66 HA ALA 66 -13.687 -14.112 -21.520 517 HB1 ALA 66 1HB ALA 66 -11.775 -13.429 -22.867 518 HB2 ALA 66 2HB ALA 66 -11.600 -12.814 -21.210 519 HB3 ALA 66 3HB ALA 66 -10.656 -14.225 -21.739 520 H CYS 67 H CYS 67 -14.215 -15.053 -23.406 521 HA CYS 67 HA CYS 67 -14.061 -17.894 -23.666 522 HB2 CYS 67 1HB CYS 67 -15.922 -16.427 -24.349 523 HB3 CYS 67 2HB CYS 67 -14.914 -15.737 -25.628 524 H ASP 68 H ASP 68 -13.032 -19.183 -25.102 525 HA ASP 68 HA ASP 68 -10.419 -18.251 -26.143 526 HB2 ASP 68 1HB ASP 68 -10.681 -20.325 -24.730 527 HB3 ASP 68 2HB ASP 68 -11.577 -21.057 -26.060 528 H TYR 69 H TYR 69 -13.569 -18.567 -27.310 529 HA TYR 69 HA TYR 69 -12.713 -19.119 -30.131 530 HB2 TYR 69 1HB TYR 69 -15.316 -19.770 -28.744 531 HB3 TYR 69 2HB TYR 69 -14.881 -20.209 -30.389 532 HD1 TYR 69 1HD TYR 69 -12.866 -21.797 -30.721 533 HD2 TYR 69 2HD TYR 69 -14.807 -21.183 -26.918 534 HE1 TYR 69 1HE TYR 69 -11.906 -23.939 -29.888 535 HE2 TYR 69 2HE TYR 69 -13.862 -23.344 -26.092 536 HH TYR 69 HH TYR 69 -11.682 -25.349 -28.110 537 H CYS 70 H CYS 70 -14.296 -16.760 -28.135 538 HA CYS 70 HA CYS 70 -14.636 -15.035 -30.457 539 HB2 CYS 70 1HB CYS 70 -16.925 -14.474 -30.149 540 HB3 CYS 70 2HB CYS 70 -16.807 -16.212 -30.342 541 H SER 71 H SER 71 -15.851 -12.884 -29.376 542 HA SER 71 HA SER 71 -13.830 -11.810 -27.559 543 HB2 SER 71 1HB SER 71 -16.261 -10.466 -28.786 544 HB3 SER 71 2HB SER 71 -14.895 -9.661 -27.992 545 HG SER 71 HG SER 71 -14.681 -9.675 -30.279 546 H PHE 72 H PHE 72 -16.541 -13.555 -26.786 547 HA PHE 72 HA PHE 72 -17.918 -11.959 -24.890 548 HB2 PHE 72 1HB PHE 72 -18.812 -13.995 -25.883 549 HB3 PHE 72 2HB PHE 72 -17.563 -14.958 -25.110 550 HD1 PHE 72 1HD PHE 72 -20.659 -12.985 -24.492 551 HD2 PHE 72 2HD PHE 72 -17.743 -15.691 -22.832 552 HE1 PHE 72 1HE PHE 72 -22.152 -13.408 -22.550 553 HE2 PHE 72 2HE PHE 72 -19.243 -16.123 -20.898 554 HZ PHE 72 HZ PHE 72 -21.450 -14.980 -20.756 555 H THR 73 H THR 73 -17.865 -11.722 -22.702 556 HA THR 73 HA THR 73 -15.850 -13.128 -21.079 557 HB THR 73 HB THR 73 -15.251 -11.127 -19.808 558 HG1 THR 73 1HG THR 73 -16.535 -9.704 -21.896 559 HG21 THR 73 3HG2 THR 73 -13.753 -11.800 -21.652 560 HG22 THR 73 1HG2 THR 73 -13.732 -10.054 -21.361 561 HG23 THR 73 2HG2 THR 73 -14.617 -10.712 -22.755 562 H CYS 74 H CYS 74 -16.410 -13.408 -18.905 563 HA CYS 74 HA CYS 74 -18.927 -12.244 -17.898 564 HB2 CYS 74 1HB CYS 74 -19.499 -14.379 -19.132 565 HB3 CYS 74 2HB CYS 74 -18.552 -15.271 -17.923 566 HG CYS 74 HG CYS 74 -21.230 -15.368 -17.518 567 H LEU 75 H LEU 75 -19.216 -12.552 -15.579 568 HA LEU 75 HA LEU 75 -16.657 -12.424 -14.141 569 HB2 LEU 75 1HB LEU 75 -19.522 -11.768 -13.383 570 HB3 LEU 75 2HB LEU 75 -18.212 -11.795 -12.215 571 HG LEU 75 HG LEU 75 -16.964 -10.094 -13.584 572 HD11 LEU 75 1HD1 LEU 75 -18.097 -10.218 -15.758 573 HD12 LEU 75 2HD1 LEU 75 -18.346 -8.623 -15.059 574 HD13 LEU 75 3HD1 LEU 75 -19.657 -9.822 -15.002 575 HD21 LEU 75 3HD2 LEU 75 -18.320 -8.223 -12.727 576 HD22 LEU 75 1HD2 LEU 75 -18.232 -9.535 -11.545 577 HD23 LEU 75 2HD2 LEU 75 -19.710 -9.314 -12.509 578 H SER 76 H SER 76 -18.186 -15.056 -15.068 579 HA SER 76 HA SER 76 -17.274 -16.631 -12.726 580 HB2 SER 76 1HB SER 76 -19.608 -16.503 -12.269 581 HB3 SER 76 2HB SER 76 -20.037 -16.791 -13.964 582 HG SER 76 HG SER 76 -20.140 -18.642 -12.411 583 H LYS 77 H LYS 77 -16.075 -18.311 -13.318 584 HA LYS 77 HA LYS 77 -15.627 -19.004 -16.093 585 HB2 LYS 77 1HB LYS 77 -14.103 -20.656 -15.296 586 HB3 LYS 77 2HB LYS 77 -13.864 -19.159 -14.403 587 HG2 LYS 77 1HG LYS 77 -15.076 -20.117 -12.449 588 HG3 LYS 77 2HG LYS 77 -15.412 -21.584 -13.373 589 HD2 LYS 77 1HD LYS 77 -13.570 -22.093 -11.945 590 HD3 LYS 77 2HD LYS 77 -12.976 -22.013 -13.597 591 HE2 LYS 77 1HE LYS 77 -11.334 -20.938 -12.291 592 HE3 LYS 77 2HE LYS 77 -12.187 -19.636 -13.120 593 HZ1 LYS 77 3HZ LYS 77 -13.444 -19.257 -11.046 594 HZ2 LYS 77 1HZ LYS 77 -11.839 -19.165 -10.746 595 HZ3 LYS 77 2HZ LYS 77 -12.671 -20.494 -10.307 596 H GLY 78 H GLY 78 -17.874 -20.181 -13.692 597 HA2 GLY 78 1HA GLY 78 -18.628 -22.652 -15.041 598 HA3 GLY 78 2HA GLY 78 -19.542 -21.786 -13.796 599 H HIS 79 H HIS 79 -19.963 -19.301 -14.965 600 HA HIS 79 HA HIS 79 -22.023 -19.789 -16.923 601 HB2 HIS 79 1HB HIS 79 -21.894 -17.905 -15.256 602 HB3 HIS 79 2HB HIS 79 -20.658 -17.162 -16.270 603 HD1 HIS 79 1HD HIS 79 -22.281 -17.805 -19.105 604 HD2 HIS 79 2HD HIS 79 -23.746 -16.078 -15.562 605 HE1 HIS 79 1HE HIS 79 -24.299 -16.394 -19.781 606 H LEU 80 H LEU 80 -18.594 -18.747 -17.229 607 HA LEU 80 HA LEU 80 -18.649 -18.398 -20.063 608 HB2 LEU 80 1HB LEU 80 -16.852 -17.548 -18.601 609 HB3 LEU 80 2HB LEU 80 -16.373 -19.206 -18.219 610 HG LEU 80 HG LEU 80 -15.776 -19.602 -20.598 611 HD11 LEU 80 1HD1 LEU 80 -17.265 -17.993 -21.725 612 HD12 LEU 80 2HD1 LEU 80 -15.590 -17.655 -22.118 613 HD13 LEU 80 3HD1 LEU 80 -16.424 -16.635 -20.929 614 HD21 LEU 80 3HD2 LEU 80 -14.468 -17.113 -19.471 615 HD22 LEU 80 1HD2 LEU 80 -13.761 -18.293 -20.598 616 HD23 LEU 80 2HD2 LEU 80 -14.116 -18.775 -18.935 617 H LYS 81 H LYS 81 -17.960 -21.352 -18.096 618 HA LYS 81 HA LYS 81 -17.490 -23.115 -20.284 619 HB2 LYS 81 1HB LYS 81 -17.133 -23.580 -17.813 620 HB3 LYS 81 2HB LYS 81 -18.880 -23.815 -17.668 621 HG2 LYS 81 1HG LYS 81 -18.690 -25.639 -19.439 622 HG3 LYS 81 2HG LYS 81 -16.947 -25.392 -19.427 623 HD2 LYS 81 1HD LYS 81 -17.408 -27.297 -18.038 624 HD3 LYS 81 2HD LYS 81 -16.900 -25.972 -16.996 625 HE2 LYS 81 1HE LYS 81 -18.709 -27.019 -15.880 626 HE3 LYS 81 2HE LYS 81 -19.352 -25.502 -16.508 627 HZ1 LYS 81 3HZ LYS 81 -20.862 -27.357 -16.927 628 HZ2 LYS 81 1HZ LYS 81 -19.727 -28.177 -17.758 629 HZ3 LYS 81 2HZ LYS 81 -20.344 -26.794 -18.369 630 H VAL 82 H VAL 82 -20.592 -22.231 -18.712 631 HA VAL 82 HA VAL 82 -22.280 -23.748 -20.451 632 HB VAL 82 HB VAL 82 -22.812 -21.246 -18.814 633 HG11 VAL 82 1HG1 VAL 82 -24.819 -22.993 -20.300 634 HG12 VAL 82 2HG1 VAL 82 -25.233 -21.796 -19.052 635 HG13 VAL 82 3HG1 VAL 82 -24.510 -21.257 -20.568 636 HG21 VAL 82 3HG2 VAL 82 -23.952 -22.819 -17.311 637 HG22 VAL 82 1HG2 VAL 82 -23.599 -24.169 -18.415 638 HG23 VAL 82 2HG2 VAL 82 -22.284 -23.347 -17.557 639 H HIS 83 H HIS 83 -21.071 -20.360 -20.850 640 HA HIS 83 HA HIS 83 -22.368 -19.851 -23.346 641 HB2 HIS 83 1HB HIS 83 -21.336 -18.019 -22.250 642 HB3 HIS 83 2HB HIS 83 -19.794 -18.844 -22.101 643 HD1 HIS 83 1HD HIS 83 -21.851 -16.973 -24.742 644 HD2 HIS 83 2HD HIS 83 -18.107 -18.784 -24.161 645 HE1 HIS 83 1HE HIS 83 -20.454 -16.335 -26.760 646 H ILE 84 H ILE 84 -19.158 -21.381 -22.721 647 HA ILE 84 HA ILE 84 -18.565 -21.838 -25.482 648 HB ILE 84 HB ILE 84 -17.537 -23.161 -22.956 649 HG12 ILE 84 1HG1 ILE 84 -16.222 -21.150 -24.849 650 HG13 ILE 84 2HG1 ILE 84 -17.071 -20.685 -23.385 651 HG21 ILE 84 1HG2 ILE 84 -16.518 -23.468 -25.820 652 HG22 ILE 84 2HG2 ILE 84 -15.676 -24.048 -24.365 653 HG23 ILE 84 3HG2 ILE 84 -17.220 -24.750 -24.797 654 HD11 ILE 84 3HD1 ILE 84 -14.528 -22.334 -23.504 655 HD12 ILE 84 1HD1 ILE 84 -14.739 -20.687 -22.899 656 HD13 ILE 84 2HD1 ILE 84 -15.480 -22.042 -22.024 657 H GLU 85 H GLU 85 -20.097 -24.019 -23.089 658 HA GLU 85 HA GLU 85 -20.518 -26.208 -24.850 659 HB2 GLU 85 1HB GLU 85 -21.964 -25.256 -22.351 660 HB3 GLU 85 2HB GLU 85 -22.395 -26.751 -23.181 661 HG2 GLU 85 1HG GLU 85 -20.150 -27.649 -22.891 662 HG3 GLU 85 2HG GLU 85 -19.598 -26.170 -22.120 663 H ARG 86 H ARG 86 -22.564 -23.320 -24.331 664 HA ARG 86 HA ARG 86 -24.735 -24.373 -26.001 665 HB2 ARG 86 1HB ARG 86 -24.310 -21.766 -24.557 666 HB3 ARG 86 2HB ARG 86 -25.691 -22.072 -25.625 667 HG2 ARG 86 1HG ARG 86 -26.324 -24.080 -24.323 668 HG3 ARG 86 2HG ARG 86 -24.923 -23.856 -23.266 669 HD2 ARG 86 1HD ARG 86 -26.797 -23.008 -22.123 670 HD3 ARG 86 2HD ARG 86 -25.797 -21.627 -22.636 671 HE ARG 86 HE ARG 86 -27.832 -22.148 -24.595 672 HH11 ARG 86 2HH1 ARG 86 -27.608 -20.810 -21.367 673 HH12 ARG 86 1HH1 ARG 86 -29.021 -19.814 -21.582 674 HH21 ARG 86 2HH2 ARG 86 -29.624 -20.848 -24.807 675 HH22 ARG 86 1HH2 ARG 86 -30.130 -19.845 -23.481 676 H VAL 87 H VAL 87 -22.133 -22.008 -26.489 677 HA VAL 87 HA VAL 87 -23.260 -21.250 -29.133 678 HB VAL 87 HB VAL 87 -21.021 -19.969 -27.531 679 HG11 VAL 87 1HG1 VAL 87 -22.567 -18.972 -29.962 680 HG12 VAL 87 2HG1 VAL 87 -21.428 -18.010 -28.996 681 HG13 VAL 87 3HG1 VAL 87 -20.841 -19.394 -29.912 682 HG21 VAL 87 3HG2 VAL 87 -22.736 -18.211 -27.049 683 HG22 VAL 87 1HG2 VAL 87 -23.970 -19.218 -27.832 684 HG23 VAL 87 2HG2 VAL 87 -23.178 -19.761 -26.337 685 H HIS 88 H HIS 88 -20.310 -22.790 -27.832 686 HA HIS 88 HA HIS 88 -19.197 -22.879 -30.612 687 HB2 HIS 88 1HB HIS 88 -17.744 -22.894 -27.957 688 HB3 HIS 88 2HB HIS 88 -17.007 -22.879 -29.556 689 HD1 HIS 88 1HD HIS 88 -17.932 -20.537 -31.080 690 HD2 HIS 88 2HD HIS 88 -17.859 -20.547 -26.885 691 HE1 HIS 88 1HE HIS 88 -17.907 -18.094 -30.379 692 H LYS 89 H LYS 89 -20.151 -24.966 -27.971 693 HA LYS 89 HA LYS 89 -19.065 -27.354 -29.410 694 HB2 LYS 89 1HB LYS 89 -20.291 -27.286 -26.654 695 HB3 LYS 89 2HB LYS 89 -19.420 -28.612 -27.394 696 HG2 LYS 89 1HG LYS 89 -18.205 -25.951 -26.555 697 HG3 LYS 89 2HG LYS 89 -18.061 -27.479 -25.699 698 HD2 LYS 89 1HD LYS 89 -16.795 -28.456 -27.566 699 HD3 LYS 89 2HD LYS 89 -16.994 -26.963 -28.513 700 HE2 LYS 89 1HE LYS 89 -15.799 -25.675 -26.784 701 HE3 LYS 89 2HE LYS 89 -15.586 -27.138 -25.814 702 HZ1 LYS 89 3HZ LYS 89 -13.628 -26.578 -27.202 703 HZ2 LYS 89 1HZ LYS 89 -14.502 -26.787 -28.559 704 HZ3 LYS 89 2HZ LYS 89 -14.218 -28.062 -27.573 705 H LYS 90 H LYS 90 -20.507 -29.292 -29.273 706 HA LYS 90 HA LYS 90 -23.317 -28.640 -30.091 707 HB2 LYS 90 1HB LYS 90 -21.654 -31.107 -30.737 708 HB3 LYS 90 2HB LYS 90 -23.307 -30.811 -31.260 709 HG2 LYS 90 1HG LYS 90 -20.853 -29.198 -32.092 710 HG3 LYS 90 2HG LYS 90 -21.700 -30.407 -33.057 711 HD2 LYS 90 1HD LYS 90 -23.760 -28.985 -33.008 712 HD3 LYS 90 2HD LYS 90 -22.849 -27.735 -32.128 713 HE2 LYS 90 1HE LYS 90 -21.224 -27.599 -33.994 714 HE3 LYS 90 2HE LYS 90 -22.120 -28.843 -34.873 715 HZ1 LYS 90 3HZ LYS 90 -22.740 -26.619 -35.617 716 HZ2 LYS 90 1HZ LYS 90 -23.208 -26.182 -34.119 717 HZ3 LYS 90 2HZ LYS 90 -24.034 -27.334 -34.932 718 H ILE 91 H ILE 91 -25.017 -29.735 -29.238 719 HA ILE 91 HA ILE 91 -24.583 -31.378 -26.775 720 HB ILE 91 HB ILE 91 -26.513 -29.055 -27.129 721 HG12 ILE 91 1HG1 ILE 91 -24.230 -28.240 -26.720 722 HG13 ILE 91 2HG1 ILE 91 -25.321 -27.874 -25.407 723 HG21 ILE 91 1HG2 ILE 91 -27.616 -30.706 -25.767 724 HG22 ILE 91 2HG2 ILE 91 -26.162 -30.956 -24.777 725 HG23 ILE 91 3HG2 ILE 91 -27.053 -29.421 -24.704 726 HD11 ILE 91 3HD1 ILE 91 -23.071 -28.559 -24.628 727 HD12 ILE 91 1HD1 ILE 91 -24.338 -29.624 -24.003 728 HD13 ILE 91 2HD1 ILE 91 -23.299 -30.160 -25.342 729 H LYS 92 H LYS 92 -26.015 -33.009 -26.437 730 HA LYS 92 HA LYS 92 -28.373 -33.403 -28.183 731 HB2 LYS 92 1HB LYS 92 -26.431 -34.494 -29.308 732 HB3 LYS 92 2HB LYS 92 -26.175 -35.494 -27.870 733 HG2 LYS 92 1HG LYS 92 -28.465 -36.448 -28.142 734 HG3 LYS 92 2HG LYS 92 -28.706 -35.457 -29.587 735 HD2 LYS 92 1HD LYS 92 -26.561 -37.603 -29.247 736 HD3 LYS 92 2HD LYS 92 -28.109 -37.825 -30.074 737 HE2 LYS 92 1HE LYS 92 -27.495 -36.031 -31.696 738 HE3 LYS 92 2HE LYS 92 -25.923 -35.863 -30.903 739 HZ1 LYS 92 3HZ LYS 92 -25.452 -38.182 -31.490 740 HZ2 LYS 92 1HZ LYS 92 -25.780 -37.319 -32.836 741 HZ3 LYS 92 2HZ LYS 92 -26.902 -38.335 -32.229 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 7.621 39.098 13.497 2 H2 GLY 1 2H GLY 1 6.127 39.677 13.848 3 H3 GLY 1 3H GLY 1 6.450 39.087 12.353 4 HA2 GLY 1 1HA GLY 1 6.421 37.504 14.840 5 HA3 GLY 1 2HA GLY 1 5.140 37.504 13.611 6 H SER 2 H SER 2 6.970 35.366 14.642 7 HA SER 2 HA SER 2 8.158 33.575 13.992 8 HB2 SER 2 1HB SER 2 7.160 34.163 11.191 9 HB3 SER 2 2HB SER 2 7.855 32.641 11.763 10 HG SER 2 HG SER 2 5.553 32.633 11.812 11 H SER 3 H SER 3 9.941 32.650 12.578 12 HA SER 3 HA SER 3 11.804 34.606 11.416 13 HB2 SER 3 1HB SER 3 12.250 34.568 13.911 14 HB3 SER 3 2HB SER 3 12.701 32.861 13.739 15 HG SER 3 HG SER 3 14.508 34.303 13.595 16 H GLY 4 H GLY 4 13.540 33.613 10.251 17 HA2 GLY 4 1HA GLY 4 12.784 31.128 8.896 18 HA3 GLY 4 2HA GLY 4 14.144 32.174 8.513 19 H SER 5 H SER 5 14.471 29.504 8.357 20 HA SER 5 HA SER 5 16.646 29.037 10.274 21 HB2 SER 5 1HB SER 5 14.596 28.000 11.321 22 HB3 SER 5 2HB SER 5 14.490 26.920 9.916 23 HG SER 5 HG SER 5 15.663 26.008 11.700 24 H SER 6 H SER 6 18.202 27.549 9.517 25 HA SER 6 HA SER 6 18.462 27.458 6.626 26 HB2 SER 6 1HB SER 6 20.245 26.296 8.796 27 HB3 SER 6 2HB SER 6 20.661 26.469 7.079 28 HG SER 6 HG SER 6 21.459 28.214 8.354 29 H GLY 7 H GLY 7 18.633 25.687 5.252 30 HA2 GLY 7 1HA GLY 7 18.717 22.962 5.885 31 HA3 GLY 7 2HA GLY 7 17.004 23.377 5.799 32 H LYS 8 H LYS 8 17.463 21.601 4.114 33 HA LYS 8 HA LYS 8 17.385 22.859 1.438 34 HB2 LYS 8 1HB LYS 8 19.719 22.111 1.656 35 HB3 LYS 8 2HB LYS 8 19.195 20.496 2.153 36 HG2 LYS 8 1HG LYS 8 18.200 20.090 -0.017 37 HG3 LYS 8 2HG LYS 8 18.545 21.752 -0.548 38 HD2 LYS 8 1HD LYS 8 20.976 21.236 -0.400 39 HD3 LYS 8 2HD LYS 8 20.592 19.582 0.090 40 HE2 LYS 8 1HE LYS 8 19.852 20.931 -2.551 41 HE3 LYS 8 2HE LYS 8 21.101 19.707 -2.320 42 HZ1 LYS 8 3HZ LYS 8 18.168 19.277 -1.987 43 HZ2 LYS 8 1HZ LYS 8 19.307 18.152 -1.647 44 HZ3 LYS 8 2HZ LYS 8 19.110 18.683 -3.181 45 H ILE 9 H ILE 9 16.294 21.631 -0.124 46 HA ILE 9 HA ILE 9 14.320 19.666 0.947 47 HB ILE 9 HB ILE 9 14.053 21.536 -1.437 48 HG12 ILE 9 1HG1 ILE 9 12.725 21.742 1.313 49 HG13 ILE 9 2HG1 ILE 9 14.081 22.741 0.805 50 HG21 ILE 9 1HG2 ILE 9 12.056 19.702 -0.067 51 HG22 ILE 9 2HG2 ILE 9 11.671 20.842 -1.376 52 HG23 ILE 9 3HG2 ILE 9 12.739 19.495 -1.703 53 HD11 ILE 9 3HD1 ILE 9 12.734 23.650 -1.071 54 HD12 ILE 9 1HD1 ILE 9 11.308 22.811 -0.400 55 HD13 ILE 9 2HD1 ILE 9 12.140 24.051 0.552 56 H PHE 10 H PHE 10 13.966 17.780 -0.143 57 HA PHE 10 HA PHE 10 15.768 17.017 -2.411 58 HB2 PHE 10 1HB PHE 10 15.109 15.438 0.112 59 HB3 PHE 10 2HB PHE 10 15.980 14.808 -1.272 60 HD1 PHE 10 1HD PHE 10 16.165 17.222 1.554 61 HD2 PHE 10 2HD PHE 10 18.319 15.262 -1.627 62 HE1 PHE 10 1HE PHE 10 18.308 18.022 2.516 63 HE2 PHE 10 2HE PHE 10 20.467 16.047 -0.650 64 HZ PHE 10 HZ PHE 10 20.465 17.426 1.417 65 H THR 11 H THR 11 14.779 15.759 -4.030 66 HA THR 11 HA THR 11 11.875 15.142 -3.673 67 HB THR 11 HB THR 11 13.155 16.501 -6.065 68 HG1 THR 11 1HG THR 11 12.107 18.330 -5.322 69 HG21 THR 11 3HG2 THR 11 11.130 15.260 -6.678 70 HG22 THR 11 1HG2 THR 11 10.796 16.993 -6.688 71 HG23 THR 11 2HG2 THR 11 10.240 15.996 -5.325 72 H CYS 12 H CYS 12 11.121 13.328 -4.520 73 HA CYS 12 HA CYS 12 12.862 11.336 -5.780 74 HB2 CYS 12 1HB CYS 12 11.237 10.742 -4.064 75 HB3 CYS 12 2HB CYS 12 9.918 11.426 -5.031 76 H GLU 13 H GLU 13 13.160 11.136 -7.929 77 HA GLU 13 HA GLU 13 11.488 12.640 -9.830 78 HB2 GLU 13 1HB GLU 13 13.031 11.934 -11.523 79 HB3 GLU 13 2HB GLU 13 13.884 12.655 -10.172 80 HG2 GLU 13 1HG GLU 13 13.615 9.635 -10.324 81 HG3 GLU 13 2HG GLU 13 14.750 10.463 -11.373 82 H TYR 14 H TYR 14 11.100 9.634 -8.381 83 HA TYR 14 HA TYR 14 9.912 8.333 -10.780 84 HB2 TYR 14 1HB TYR 14 10.477 7.288 -8.003 85 HB3 TYR 14 2HB TYR 14 9.796 6.349 -9.316 86 HD1 TYR 14 2HD TYR 14 11.167 5.668 -11.253 87 HD2 TYR 14 1HD TYR 14 12.860 7.856 -7.941 88 HE1 TYR 14 2HE TYR 14 13.462 5.025 -11.994 89 HE2 TYR 14 1HE TYR 14 15.146 7.223 -8.689 90 HH TYR 14 HH TYR 14 16.401 6.081 -10.233 91 H CYS 15 H CYS 15 8.883 9.698 -7.662 92 HA CYS 15 HA CYS 15 6.070 9.446 -8.572 93 HB2 CYS 15 1HB CYS 15 5.284 8.673 -6.464 94 HB3 CYS 15 2HB CYS 15 6.476 7.555 -7.117 95 H ASN 16 H ASN 16 8.242 11.674 -8.002 96 HA ASN 16 HA ASN 16 8.272 13.846 -7.518 97 HB2 ASN 16 1HB ASN 16 6.463 13.635 -9.287 98 HB3 ASN 16 2HB ASN 16 5.287 13.849 -7.992 99 HD21 ASN 16 1HD2 ASN 16 4.559 15.795 -9.089 100 HD22 ASN 16 2HD2 ASN 16 5.524 17.261 -8.998 101 H LYS 17 H LYS 17 7.812 12.066 -5.180 102 HA LYS 17 HA LYS 17 6.487 13.757 -3.172 103 HB2 LYS 17 1HB LYS 17 8.181 11.242 -3.039 104 HB3 LYS 17 2HB LYS 17 7.644 12.107 -1.584 105 HG2 LYS 17 1HG LYS 17 5.291 11.801 -2.216 106 HG3 LYS 17 2HG LYS 17 5.797 11.016 -3.725 107 HD2 LYS 17 1HD LYS 17 7.061 9.319 -2.286 108 HD3 LYS 17 2HD LYS 17 6.323 10.054 -0.868 109 HE2 LYS 17 1HE LYS 17 5.194 8.008 -1.557 110 HE3 LYS 17 2HE LYS 17 4.101 9.397 -1.611 111 HZ1 LYS 17 3HZ LYS 17 4.256 9.441 -3.977 112 HZ2 LYS 17 1HZ LYS 17 4.025 7.864 -3.615 113 HZ3 LYS 17 2HZ LYS 17 5.520 8.425 -4.038 114 H VAL 18 H VAL 18 7.486 14.754 -1.454 115 HA VAL 18 HA VAL 18 10.272 15.740 -1.938 116 HB VAL 18 HB VAL 18 7.902 17.366 -0.958 117 HG11 VAL 18 1HG1 VAL 18 9.997 18.164 0.060 118 HG12 VAL 18 2HG1 VAL 18 10.793 18.131 -1.532 119 HG13 VAL 18 3HG1 VAL 18 9.488 19.288 -1.199 120 HG21 VAL 18 3HG2 VAL 18 7.768 16.957 -3.397 121 HG22 VAL 18 1HG2 VAL 18 8.202 18.634 -3.069 122 HG23 VAL 18 2HG2 VAL 18 9.455 17.486 -3.582 123 H PHE 19 H PHE 19 11.613 15.883 -0.278 124 HA PHE 19 HA PHE 19 10.784 14.960 2.433 125 HB2 PHE 19 1HB PHE 19 13.169 14.006 0.798 126 HB3 PHE 19 2HB PHE 19 12.775 13.511 2.437 127 HD1 PHE 19 2HD PHE 19 10.853 11.996 2.889 128 HD2 PHE 19 1HD PHE 19 11.936 13.124 -1.127 129 HE1 PHE 19 2HE PHE 19 9.341 10.243 1.987 130 HE2 PHE 19 1HE PHE 19 10.429 11.368 -2.025 131 HZ PHE 19 HZ PHE 19 9.085 9.951 -0.470 132 H LYS 20 H LYS 20 12.085 15.616 4.147 133 HA LYS 20 HA LYS 20 13.300 18.254 3.821 134 HB2 LYS 20 1HB LYS 20 11.671 17.582 5.604 135 HB3 LYS 20 2HB LYS 20 12.913 16.552 6.319 136 HG2 LYS 20 1HG LYS 20 14.315 18.515 6.789 137 HG3 LYS 20 2HG LYS 20 13.184 19.566 5.914 138 HD2 LYS 20 1HD LYS 20 11.423 19.066 7.573 139 HD3 LYS 20 2HD LYS 20 12.527 17.967 8.430 140 HE2 LYS 20 1HE LYS 20 14.087 19.854 8.840 141 HE3 LYS 20 2HE LYS 20 12.998 20.950 7.979 142 HZ1 LYS 20 3HZ LYS 20 12.662 21.076 10.382 143 HZ2 LYS 20 1HZ LYS 20 12.309 19.485 10.475 144 HZ3 LYS 20 2HZ LYS 20 11.308 20.503 9.677 145 H PHE 21 H PHE 21 14.613 15.068 3.954 146 HA PHE 21 HA PHE 21 17.368 16.142 4.313 147 HB2 PHE 21 1HB PHE 21 16.263 13.731 5.794 148 HB3 PHE 21 2HB PHE 21 17.894 14.369 5.895 149 HD1 PHE 21 2HD PHE 21 18.196 16.799 6.798 150 HD2 PHE 21 1HD PHE 21 14.615 14.459 7.340 151 HE1 PHE 21 2HE PHE 21 17.551 18.227 8.726 152 HE2 PHE 21 1HE PHE 21 13.978 15.881 9.273 153 HZ PHE 21 HZ PHE 21 15.445 17.768 9.969 154 H LYS 22 H LYS 22 19.043 14.876 3.510 155 HA LYS 22 HA LYS 22 18.589 13.531 1.060 156 HB2 LYS 22 1HB LYS 22 20.684 14.734 1.871 157 HB3 LYS 22 2HB LYS 22 21.065 13.308 2.834 158 HG2 LYS 22 1HG LYS 22 21.152 11.932 0.765 159 HG3 LYS 22 2HG LYS 22 20.682 13.347 -0.199 160 HD2 LYS 22 1HD LYS 22 22.750 14.528 0.559 161 HD3 LYS 22 2HD LYS 22 23.222 13.080 1.476 162 HE2 LYS 22 1HE LYS 22 23.223 11.761 -0.638 163 HE3 LYS 22 2HE LYS 22 22.763 13.213 -1.540 164 HZ1 LYS 22 3HZ LYS 22 25.290 12.891 -0.005 165 HZ2 LYS 22 1HZ LYS 22 24.867 14.232 -0.837 166 HZ3 LYS 22 2HZ LYS 22 25.163 12.839 -1.629 167 H HIS 23 H HIS 23 19.300 12.141 4.279 168 HA HIS 23 HA HIS 23 19.354 9.416 3.423 169 HB2 HIS 23 1HB HIS 23 19.191 8.839 5.762 170 HB3 HIS 23 2HB HIS 23 20.330 10.157 5.531 171 HD1 HIS 23 1HD HIS 23 16.846 9.491 7.063 172 HD2 HIS 23 2HD HIS 23 19.757 12.503 6.691 173 HE1 HIS 23 1HE HIS 23 16.159 11.348 8.663 174 H SER 24 H SER 24 16.614 11.451 4.518 175 HA SER 24 HA SER 24 14.632 9.411 4.542 176 HB2 SER 24 1HB SER 24 14.289 12.357 3.877 177 HB3 SER 24 2HB SER 24 12.999 11.217 4.313 178 HG SER 24 HG SER 24 13.615 12.296 6.169 179 H LEU 25 H LEU 25 15.645 11.559 1.809 180 HA LEU 25 HA LEU 25 13.919 10.268 -0.102 181 HB2 LEU 25 1HB LEU 25 14.808 12.487 -0.535 182 HB3 LEU 25 2HB LEU 25 16.467 11.890 -0.451 183 HG LEU 25 HG LEU 25 16.092 10.509 -2.481 184 HD11 LEU 25 1HD1 LEU 25 13.640 10.144 -2.328 185 HD12 LEU 25 2HD1 LEU 25 14.094 10.856 -3.874 186 HD13 LEU 25 3HD1 LEU 25 13.368 11.875 -2.615 187 HD21 LEU 25 3HD2 LEU 25 16.962 12.818 -2.674 188 HD22 LEU 25 1HD2 LEU 25 15.294 13.395 -2.922 189 HD23 LEU 25 2HD2 LEU 25 16.042 12.301 -4.097 190 H GLN 26 H GLN 26 17.396 9.666 0.739 191 HA GLN 26 HA GLN 26 17.809 7.633 -1.200 192 HB2 GLN 26 1HB GLN 26 19.080 8.232 1.488 193 HB3 GLN 26 2HB GLN 26 19.607 6.860 0.531 194 HG2 GLN 26 1HG GLN 26 19.566 9.747 -0.480 195 HG3 GLN 26 2HG GLN 26 20.979 8.950 0.198 196 HE21 GLN 26 1HE2 GLN 26 21.077 10.047 -2.387 197 HE22 GLN 26 2HE2 GLN 26 21.192 8.717 -3.530 198 H ALA 27 H ALA 27 16.538 7.284 2.137 199 HA ALA 27 HA ALA 27 16.263 4.413 1.948 200 HB1 ALA 27 1HB ALA 27 16.489 5.637 4.062 201 HB2 ALA 27 2HB ALA 27 14.928 6.446 3.773 202 HB3 ALA 27 3HB ALA 27 14.986 4.683 4.019 203 H HIS 28 H HIS 28 14.071 7.140 1.154 204 HA HIS 28 HA HIS 28 11.758 5.533 0.570 205 HB2 HIS 28 1HB HIS 28 11.493 7.888 0.909 206 HB3 HIS 28 2HB HIS 28 12.665 8.282 -0.346 207 HD1 HIS 28 1HD HIS 28 9.158 6.651 -0.124 208 HD2 HIS 28 2HD HIS 28 11.803 8.537 -2.793 209 HE1 HIS 28 1HE HIS 28 7.888 6.884 -2.304 210 H LEU 29 H LEU 29 14.464 6.653 -1.522 211 HA LEU 29 HA LEU 29 13.467 5.759 -3.981 212 HB2 LEU 29 1HB LEU 29 16.281 6.125 -2.909 213 HB3 LEU 29 2HB LEU 29 16.006 5.610 -4.567 214 HG LEU 29 HG LEU 29 14.844 8.189 -3.436 215 HD11 LEU 29 1HD1 LEU 29 16.646 9.318 -4.683 216 HD12 LEU 29 2HD1 LEU 29 17.343 7.741 -5.121 217 HD13 LEU 29 3HD1 LEU 29 17.310 8.267 -3.424 218 HD21 LEU 29 3HD2 LEU 29 14.620 8.781 -5.834 219 HD22 LEU 29 1HD2 LEU 29 13.615 7.410 -5.394 220 HD23 LEU 29 2HD2 LEU 29 15.136 7.139 -6.273 221 H ARG 30 H ARG 30 14.790 3.738 -1.457 222 HA ARG 30 HA ARG 30 15.534 1.414 -2.893 223 HB2 ARG 30 1HB ARG 30 14.134 1.651 -0.191 224 HB3 ARG 30 2HB ARG 30 14.905 0.188 -0.809 225 HG2 ARG 30 1HG ARG 30 17.091 1.352 -0.902 226 HG3 ARG 30 2HG ARG 30 16.345 2.820 -0.250 227 HD2 ARG 30 1HD ARG 30 15.698 1.626 1.797 228 HD3 ARG 30 2HD ARG 30 16.380 0.124 1.178 229 HE ARG 30 HE ARG 30 17.819 2.418 2.307 230 HH11 ARG 30 2HH1 ARG 30 18.261 -0.484 0.386 231 HH12 ARG 30 1HH1 ARG 30 19.968 -0.551 0.729 232 HH21 ARG 30 2HH2 ARG 30 19.997 2.269 2.693 233 HH22 ARG 30 1HH2 ARG 30 20.915 0.966 1.997 234 H ILE 31 H ILE 31 12.224 2.583 -2.265 235 HA ILE 31 HA ILE 31 10.977 0.083 -3.008 236 HB ILE 31 HB ILE 31 8.947 1.117 -2.931 237 HG12 ILE 31 1HG1 ILE 31 10.223 3.853 -3.200 238 HG13 ILE 31 2HG1 ILE 31 9.199 3.021 -4.364 239 HG21 ILE 31 1HG2 ILE 31 10.211 0.850 -0.774 240 HG22 ILE 31 2HG2 ILE 31 10.550 2.594 -0.818 241 HG23 ILE 31 3HG2 ILE 31 8.880 2.007 -0.708 242 HD11 ILE 31 3HD1 ILE 31 7.840 4.638 -3.285 243 HD12 ILE 31 1HD1 ILE 31 7.329 3.039 -2.703 244 HD13 ILE 31 2HD1 ILE 31 8.331 4.092 -1.669 245 H HIS 32 H HIS 32 12.219 2.741 -4.869 246 HA HIS 32 HA HIS 32 10.832 1.907 -7.353 247 HB2 HIS 32 1HB HIS 32 12.757 4.201 -6.834 248 HB3 HIS 32 2HB HIS 32 11.816 3.935 -8.296 249 HD1 HIS 32 1HD HIS 32 8.934 3.836 -7.599 250 HD2 HIS 32 2HD HIS 32 11.730 6.031 -5.371 251 HE1 HIS 32 1HE HIS 32 7.602 5.636 -6.404 252 H THR 33 H THR 33 14.151 1.964 -5.979 253 HA THR 33 HA THR 33 15.383 1.181 -8.493 254 HB THR 33 HB THR 33 17.457 1.023 -7.158 255 HG1 THR 33 1HG THR 33 17.374 1.608 -4.996 256 HG21 THR 33 3HG2 THR 33 15.861 3.561 -6.591 257 HG22 THR 33 1HG2 THR 33 16.745 3.206 -8.088 258 HG23 THR 33 2HG2 THR 33 17.628 3.388 -6.563 259 H ASN 34 H ASN 34 14.190 -0.667 -5.740 260 HA ASN 34 HA ASN 34 15.684 -3.065 -6.562 261 HB2 ASN 34 1HB ASN 34 15.389 -2.274 -4.156 262 HB3 ASN 34 2HB ASN 34 13.693 -2.744 -4.286 263 HD21 ASN 34 1HD2 ASN 34 14.259 -4.180 -2.437 264 HD22 ASN 34 2HD2 ASN 34 15.020 -5.723 -2.799 265 H GLU 35 H GLU 35 14.765 -5.099 -6.926 266 HA GLU 35 HA GLU 35 12.249 -5.014 -8.515 267 HB2 GLU 35 1HB GLU 35 14.865 -6.336 -8.844 268 HB3 GLU 35 2HB GLU 35 13.525 -7.449 -9.059 269 HG2 GLU 35 1HG GLU 35 13.583 -4.745 -10.443 270 HG3 GLU 35 2HG GLU 35 14.397 -6.159 -11.109 271 H LYS 36 H LYS 36 10.883 -6.821 -8.562 272 HA LYS 36 HA LYS 36 10.592 -8.347 -5.998 273 HB2 LYS 36 1HB LYS 36 8.331 -6.839 -7.362 274 HB3 LYS 36 2HB LYS 36 8.243 -7.839 -5.918 275 HG2 LYS 36 1HG LYS 36 8.322 -5.818 -4.895 276 HG3 LYS 36 2HG LYS 36 10.064 -6.103 -5.012 277 HD2 LYS 36 1HD LYS 36 10.063 -4.752 -7.162 278 HD3 LYS 36 2HD LYS 36 8.331 -4.481 -6.959 279 HE2 LYS 36 1HE LYS 36 8.697 -3.206 -4.934 280 HE3 LYS 36 2HE LYS 36 10.413 -3.644 -4.902 281 HZ1 LYS 36 3HZ LYS 36 10.775 -2.403 -6.905 282 HZ2 LYS 36 1HZ LYS 36 10.001 -1.403 -5.871 283 HZ3 LYS 36 2HZ LYS 36 9.173 -2.081 -7.103 284 HA PRO 37 HA PRO 37 10.550 -11.005 -9.649 285 HB2 PRO 37 1HB PRO 37 10.747 -13.495 -8.388 286 HB3 PRO 37 2HB PRO 37 12.091 -12.375 -8.715 287 HG2 PRO 37 1HG PRO 37 10.528 -12.697 -6.151 288 HG3 PRO 37 2HG PRO 37 12.304 -12.584 -6.359 289 HD2 PRO 37 1HD PRO 37 10.821 -10.430 -5.638 290 HD3 PRO 37 2HD PRO 37 12.184 -10.237 -6.767 291 H TYR 38 H TYR 38 8.329 -11.702 -6.973 292 HA TYR 38 HA TYR 38 6.673 -13.448 -8.652 293 HB2 TYR 38 1HB TYR 38 6.409 -12.611 -5.750 294 HB3 TYR 38 2HB TYR 38 5.346 -13.735 -6.570 295 HD1 TYR 38 1HD TYR 38 6.315 -15.822 -7.656 296 HD2 TYR 38 2HD TYR 38 8.517 -13.364 -4.905 297 HE1 TYR 38 1HE TYR 38 7.845 -17.743 -7.170 298 HE2 TYR 38 2HE TYR 38 10.087 -15.260 -4.448 299 HH TYR 38 HH TYR 38 9.722 -18.444 -6.051 300 H LYS 39 H LYS 39 6.029 -12.024 -10.242 301 HA LYS 39 HA LYS 39 4.271 -9.716 -9.712 302 HB2 LYS 39 1HB LYS 39 5.163 -11.156 -12.239 303 HB3 LYS 39 2HB LYS 39 3.830 -10.013 -12.255 304 HG2 LYS 39 1HG LYS 39 5.669 -8.786 -12.957 305 HG3 LYS 39 2HG LYS 39 5.327 -8.247 -11.316 306 HD2 LYS 39 1HD LYS 39 7.223 -9.631 -10.486 307 HD3 LYS 39 2HD LYS 39 7.538 -10.188 -12.144 308 HE2 LYS 39 1HE LYS 39 7.887 -7.793 -12.834 309 HE3 LYS 39 2HE LYS 39 7.633 -7.305 -11.149 310 HZ1 LYS 39 3HZ LYS 39 9.867 -8.979 -12.145 311 HZ2 LYS 39 1HZ LYS 39 9.531 -8.688 -10.554 312 HZ3 LYS 39 2HZ LYS 39 9.979 -7.465 -11.504 313 H CYS 40 H CYS 40 2.100 -9.567 -9.917 314 HA CYS 40 HA CYS 40 0.448 -11.941 -9.730 315 HB2 CYS 40 1HB CYS 40 -0.058 -9.959 -8.493 316 HB3 CYS 40 2HB CYS 40 -0.156 -8.986 -9.977 317 HA PRO 41 HA PRO 41 -0.236 -12.206 -14.214 318 HB2 PRO 41 1HB PRO 41 -2.138 -14.155 -14.275 319 HB3 PRO 41 2HB PRO 41 -0.433 -14.489 -13.846 320 HG2 PRO 41 1HG PRO 41 -2.770 -14.037 -11.960 321 HG3 PRO 41 2HG PRO 41 -1.558 -15.355 -11.924 322 HD2 PRO 41 1HD PRO 41 -1.340 -13.085 -10.392 323 HD3 PRO 41 2HD PRO 41 0.094 -13.936 -11.041 324 H GLN 42 H GLN 42 -2.427 -10.967 -11.861 325 HA GLN 42 HA GLN 42 -4.470 -10.258 -13.939 326 HB2 GLN 42 1HB GLN 42 -4.776 -10.817 -10.974 327 HB3 GLN 42 2HB GLN 42 -6.050 -10.153 -12.001 328 HG2 GLN 42 1HG GLN 42 -5.943 -12.161 -13.454 329 HG3 GLN 42 2HG GLN 42 -4.689 -12.849 -12.421 330 HE21 GLN 42 1HE2 GLN 42 -8.148 -11.879 -12.494 331 HE22 GLN 42 2HE2 GLN 42 -8.588 -12.907 -11.137 332 H CYS 43 H CYS 43 -2.327 -8.765 -11.486 333 HA CYS 43 HA CYS 43 -3.195 -6.144 -12.535 334 HB2 CYS 43 1HB CYS 43 -3.661 -5.210 -10.374 335 HB3 CYS 43 2HB CYS 43 -4.679 -6.619 -10.620 336 H SER 44 H SER 44 -1.867 -4.408 -11.102 337 HA SER 44 HA SER 44 0.849 -4.683 -11.992 338 HB2 SER 44 1HB SER 44 -0.374 -2.556 -10.198 339 HB3 SER 44 2HB SER 44 1.138 -2.426 -11.116 340 HG SER 44 HG SER 44 -0.619 -1.437 -12.214 341 H TYR 45 H TYR 45 -0.437 -6.024 -9.229 342 HA TYR 45 HA TYR 45 1.419 -5.464 -7.167 343 HB2 TYR 45 1HB TYR 45 -0.695 -6.534 -6.765 344 HB3 TYR 45 2HB TYR 45 -0.311 -7.856 -7.849 345 HD1 TYR 45 1HD TYR 45 1.526 -9.548 -7.148 346 HD2 TYR 45 2HD TYR 45 -0.074 -6.579 -4.450 347 HE1 TYR 45 1HE TYR 45 2.336 -10.870 -5.213 348 HE2 TYR 45 2HE TYR 45 0.732 -7.920 -2.515 349 HH TYR 45 HH TYR 45 1.786 -9.837 -1.839 350 H ALA 46 H ALA 46 3.319 -6.264 -6.580 351 HA ALA 46 HA ALA 46 4.344 -8.761 -7.639 352 HB1 ALA 46 1HB ALA 46 6.022 -6.241 -7.963 353 HB2 ALA 46 2HB ALA 46 6.495 -7.909 -8.386 354 HB3 ALA 46 3HB ALA 46 5.206 -7.098 -9.285 355 H SER 47 H SER 47 5.773 -9.803 -6.210 356 HA SER 47 HA SER 47 6.680 -8.359 -3.770 357 HB2 SER 47 1HB SER 47 4.391 -9.404 -3.405 358 HB3 SER 47 2HB SER 47 5.173 -10.987 -3.569 359 HG SER 47 HG SER 47 5.758 -8.917 -1.675 360 H ALA 48 H ALA 48 7.877 -10.008 -2.298 361 HA ALA 48 HA ALA 48 9.995 -11.305 -3.939 362 HB1 ALA 48 1HB ALA 48 10.653 -9.382 -2.541 363 HB2 ALA 48 2HB ALA 48 10.070 -10.238 -1.093 364 HB3 ALA 48 3HB ALA 48 11.446 -10.879 -2.018 365 H ILE 49 H ILE 49 7.291 -12.337 -2.331 366 HA ILE 49 HA ILE 49 8.509 -14.993 -1.708 367 HB ILE 49 HB ILE 49 6.432 -13.611 0.024 368 HG12 ILE 49 1HG1 ILE 49 9.415 -13.974 0.542 369 HG13 ILE 49 2HG1 ILE 49 8.569 -12.443 0.295 370 HG21 ILE 49 1HG2 ILE 49 8.030 -16.174 0.487 371 HG22 ILE 49 2HG2 ILE 49 6.778 -15.503 1.554 372 HG23 ILE 49 3HG2 ILE 49 6.330 -16.116 -0.016 373 HD11 ILE 49 3HD1 ILE 49 8.974 -12.642 2.620 374 HD12 ILE 49 1HD1 ILE 49 7.231 -12.879 2.371 375 HD13 ILE 49 2HD1 ILE 49 8.297 -14.273 2.693 376 H LYS 50 H LYS 50 7.500 -16.635 -2.656 377 HA LYS 50 HA LYS 50 5.299 -16.333 -4.436 378 HB2 LYS 50 1HB LYS 50 7.093 -18.064 -4.578 379 HB3 LYS 50 2HB LYS 50 6.450 -18.854 -3.156 380 HG2 LYS 50 1HG LYS 50 5.850 -20.002 -5.234 381 HG3 LYS 50 2HG LYS 50 4.438 -19.491 -4.326 382 HD2 LYS 50 1HD LYS 50 4.040 -17.630 -5.885 383 HD3 LYS 50 2HD LYS 50 5.527 -18.046 -6.771 384 HE2 LYS 50 1HE LYS 50 4.605 -20.288 -7.268 385 HE3 LYS 50 2HE LYS 50 3.120 -19.877 -6.402 386 HZ1 LYS 50 3HZ LYS 50 2.720 -18.127 -8.052 387 HZ2 LYS 50 1HZ LYS 50 2.881 -19.566 -8.800 388 HZ3 LYS 50 2HZ LYS 50 4.108 -18.495 -8.845 389 H ALA 51 H ALA 51 5.362 -17.558 -1.092 390 HA ALA 51 HA ALA 51 2.605 -18.265 -0.906 391 HB1 ALA 51 1HB ALA 51 4.528 -17.319 1.266 392 HB2 ALA 51 2HB ALA 51 3.003 -18.191 1.517 393 HB3 ALA 51 3HB ALA 51 4.348 -18.992 0.685 394 H ASN 52 H ASN 52 4.209 -15.076 -0.553 395 HA ASN 52 HA ASN 52 1.842 -13.753 0.469 396 HB2 ASN 52 1HB ASN 52 4.261 -12.978 0.719 397 HB3 ASN 52 2HB ASN 52 4.197 -12.477 -0.977 398 HD21 ASN 52 1HD2 ASN 52 4.448 -10.257 -0.508 399 HD22 ASN 52 2HD2 ASN 52 3.247 -9.350 0.407 400 H LEU 53 H LEU 53 3.235 -14.165 -2.835 401 HA LEU 53 HA LEU 53 1.125 -12.840 -4.225 402 HB2 LEU 53 1HB LEU 53 3.212 -13.347 -5.315 403 HB3 LEU 53 2HB LEU 53 3.019 -15.074 -5.021 404 HG LEU 53 HG LEU 53 1.086 -15.156 -6.555 405 HD11 LEU 53 1HD1 LEU 53 1.732 -12.246 -7.194 406 HD12 LEU 53 2HD1 LEU 53 0.279 -12.800 -6.333 407 HD13 LEU 53 3HD1 LEU 53 0.536 -13.284 -8.007 408 HD21 LEU 53 3HD2 LEU 53 2.309 -14.912 -8.616 409 HD22 LEU 53 1HD2 LEU 53 3.419 -15.517 -7.367 410 HD23 LEU 53 2HD2 LEU 53 3.468 -13.809 -7.859 411 H ASN 54 H ASN 54 1.372 -16.266 -3.103 412 HA ASN 54 HA ASN 54 -1.100 -17.131 -4.217 413 HB2 ASN 54 1HB ASN 54 0.638 -18.637 -3.330 414 HB3 ASN 54 2HB ASN 54 0.312 -18.075 -1.692 415 HD21 ASN 54 1HD2 ASN 54 -1.313 -19.118 -0.529 416 HD22 ASN 54 2HD2 ASN 54 -2.415 -20.271 -1.268 417 H VAL 55 H VAL 55 -0.497 -15.570 -1.029 418 HA VAL 55 HA VAL 55 -3.294 -15.531 -0.257 419 HB VAL 55 HB VAL 55 -0.917 -13.909 0.684 420 HG11 VAL 55 1HG1 VAL 55 -3.721 -14.056 1.875 421 HG12 VAL 55 2HG1 VAL 55 -2.299 -13.375 2.695 422 HG13 VAL 55 3HG1 VAL 55 -2.916 -12.605 1.235 423 HG21 VAL 55 3HG2 VAL 55 -1.019 -15.395 2.638 424 HG22 VAL 55 1HG2 VAL 55 -2.429 -16.235 1.952 425 HG23 VAL 55 2HG2 VAL 55 -0.843 -16.353 1.167 426 H HIS 56 H HIS 56 -1.269 -13.230 -2.088 427 HA HIS 56 HA HIS 56 -3.274 -11.192 -2.329 428 HB2 HIS 56 1HB HIS 56 -0.965 -10.711 -2.821 429 HB3 HIS 56 2HB HIS 56 -0.914 -11.933 -4.092 430 HD1 HIS 56 1HD HIS 56 -2.784 -8.604 -3.420 431 HD2 HIS 56 2HD HIS 56 -1.645 -11.238 -6.489 432 HE1 HIS 56 1HE HIS 56 -3.616 -7.555 -5.565 433 H LEU 57 H LEU 57 -2.617 -14.034 -4.452 434 HA LEU 57 HA LEU 57 -4.587 -13.459 -6.427 435 HB2 LEU 57 1HB LEU 57 -3.383 -16.009 -5.367 436 HB3 LEU 57 2HB LEU 57 -4.529 -16.035 -6.697 437 HG LEU 57 HG LEU 57 -1.976 -14.369 -6.813 438 HD11 LEU 57 1HD1 LEU 57 -0.996 -16.241 -8.082 439 HD12 LEU 57 2HD1 LEU 57 -2.448 -17.225 -7.762 440 HD13 LEU 57 3HD1 LEU 57 -1.393 -16.724 -6.424 441 HD21 LEU 57 3HD2 LEU 57 -3.894 -15.448 -8.928 442 HD22 LEU 57 1HD2 LEU 57 -2.351 -14.648 -9.262 443 HD23 LEU 57 2HD2 LEU 57 -3.652 -13.744 -8.480 444 H ARG 58 H ARG 58 -4.959 -15.044 -3.274 445 HA ARG 58 HA ARG 58 -7.728 -15.779 -3.525 446 HB2 ARG 58 1HB ARG 58 -6.110 -15.020 -1.060 447 HB3 ARG 58 2HB ARG 58 -7.731 -15.696 -1.012 448 HG2 ARG 58 1HG ARG 58 -7.006 -17.781 -2.004 449 HG3 ARG 58 2HG ARG 58 -5.411 -17.128 -2.365 450 HD2 ARG 58 1HD ARG 58 -5.199 -18.525 -0.436 451 HD3 ARG 58 2HD ARG 58 -4.968 -16.845 0.072 452 HE ARG 58 HE ARG 58 -7.727 -17.570 0.386 453 HH11 ARG 58 2HH1 ARG 58 -4.662 -18.296 1.920 454 HH12 ARG 58 1HH1 ARG 58 -5.407 -18.611 3.463 455 HH21 ARG 58 2HH2 ARG 58 -8.610 -17.986 2.381 456 HH22 ARG 58 1HH2 ARG 58 -7.583 -18.446 3.708 457 H LYS 59 H LYS 59 -6.393 -12.588 -3.296 458 HA LYS 59 HA LYS 59 -8.912 -11.343 -2.384 459 HB2 LYS 59 1HB LYS 59 -6.439 -9.963 -3.495 460 HB3 LYS 59 2HB LYS 59 -7.777 -9.242 -2.604 461 HG2 LYS 59 1HG LYS 59 -7.159 -10.701 -0.623 462 HG3 LYS 59 2HG LYS 59 -5.708 -11.191 -1.524 463 HD2 LYS 59 1HD LYS 59 -4.967 -8.835 -1.640 464 HD3 LYS 59 2HD LYS 59 -6.418 -8.336 -0.738 465 HE2 LYS 59 1HE LYS 59 -5.723 -9.821 1.149 466 HE3 LYS 59 2HE LYS 59 -4.256 -10.252 0.263 467 HZ1 LYS 59 3HZ LYS 59 -3.843 -8.464 1.861 468 HZ2 LYS 59 1HZ LYS 59 -4.965 -7.507 1.169 469 HZ3 LYS 59 2HZ LYS 59 -3.603 -7.894 0.351 470 H HIS 60 H HIS 60 -7.668 -12.388 -5.428 471 HA HIS 60 HA HIS 60 -9.323 -10.543 -7.021 472 HB2 HIS 60 1HB HIS 60 -7.485 -12.841 -7.750 473 HB3 HIS 60 2HB HIS 60 -8.531 -12.035 -8.910 474 HD1 HIS 60 1HD HIS 60 -8.155 -9.227 -9.019 475 HD2 HIS 60 2HD HIS 60 -5.096 -11.724 -7.568 476 HE1 HIS 60 1HE HIS 60 -6.030 -7.867 -9.193 477 H THR 61 H THR 61 -11.194 -11.194 -5.621 478 HA THR 61 HA THR 61 -12.450 -13.792 -6.104 479 HB THR 61 HB THR 61 -14.215 -12.897 -4.617 480 HG1 THR 61 1HG THR 61 -13.799 -10.817 -3.704 481 HG21 THR 61 3HG2 THR 61 -12.891 -12.682 -2.595 482 HG22 THR 61 1HG2 THR 61 -11.434 -12.273 -3.526 483 HG23 THR 61 2HG2 THR 61 -12.136 -13.900 -3.639 484 H GLY 62 H GLY 62 -12.604 -10.764 -7.738 485 HA2 GLY 62 1HA GLY 62 -13.882 -10.097 -9.566 486 HA3 GLY 62 2HA GLY 62 -14.821 -11.588 -9.473 487 H GLU 63 H GLU 63 -14.722 -9.964 -6.429 488 HA GLU 63 HA GLU 63 -17.492 -9.246 -6.458 489 HB2 GLU 63 1HB GLU 63 -16.201 -10.024 -4.475 490 HB3 GLU 63 2HB GLU 63 -15.274 -8.515 -4.501 491 HG2 GLU 63 1HG GLU 63 -17.311 -7.225 -4.044 492 HG3 GLU 63 2HG GLU 63 -18.307 -8.672 -4.215 493 H LYS 64 H LYS 64 -18.402 -7.285 -6.462 494 HA LYS 64 HA LYS 64 -17.299 -5.250 -8.182 495 HB2 LYS 64 1HB LYS 64 -19.822 -5.287 -6.483 496 HB3 LYS 64 2HB LYS 64 -19.363 -3.937 -7.527 497 HG2 LYS 64 1HG LYS 64 -19.296 -5.474 -9.487 498 HG3 LYS 64 2HG LYS 64 -19.894 -6.789 -8.451 499 HD2 LYS 64 1HD LYS 64 -21.949 -5.462 -7.963 500 HD3 LYS 64 2HD LYS 64 -21.309 -4.121 -8.915 501 HE2 LYS 64 1HE LYS 64 -22.860 -5.190 -10.322 502 HE3 LYS 64 2HE LYS 64 -21.259 -5.617 -10.933 503 HZ1 LYS 64 3HZ LYS 64 -21.498 -7.785 -9.802 504 HZ2 LYS 64 1HZ LYS 64 -22.744 -7.551 -10.831 505 HZ3 LYS 64 2HZ LYS 64 -22.970 -7.363 -9.230 506 H PHE 65 H PHE 65 -16.685 -3.248 -7.891 507 HA PHE 65 HA PHE 65 -16.165 -2.137 -5.167 508 HB2 PHE 65 1HB PHE 65 -14.729 -1.493 -7.772 509 HB3 PHE 65 2HB PHE 65 -14.348 -0.874 -6.169 510 HD1 PHE 65 2HD PHE 65 -13.225 -2.314 -4.481 511 HD2 PHE 65 1HD PHE 65 -14.064 -3.740 -8.464 512 HE1 PHE 65 2HE PHE 65 -11.648 -4.205 -4.140 513 HE2 PHE 65 1HE PHE 65 -12.500 -5.637 -8.113 514 HZ PHE 65 HZ PHE 65 -11.280 -5.864 -5.957 515 H ALA 66 H ALA 66 -16.725 0.113 -4.899 516 HA ALA 66 HA ALA 66 -18.733 1.126 -6.873 517 HB1 ALA 66 1HB ALA 66 -19.769 0.079 -4.884 518 HB2 ALA 66 2HB ALA 66 -18.875 1.202 -3.837 519 HB3 ALA 66 3HB ALA 66 -20.091 1.821 -4.973 520 H CYS 67 H CYS 67 -18.891 3.255 -7.283 521 HA CYS 67 HA CYS 67 -16.613 4.947 -6.943 522 HB2 CYS 67 1HB CYS 67 -18.146 4.911 -8.863 523 HB3 CYS 67 2HB CYS 67 -19.457 5.529 -7.849 524 H ASP 68 H ASP 68 -16.290 6.745 -5.736 525 HA ASP 68 HA ASP 68 -17.726 6.939 -3.154 526 HB2 ASP 68 1HB ASP 68 -15.214 6.829 -3.333 527 HB3 ASP 68 2HB ASP 68 -15.248 8.413 -4.106 528 H TYR 69 H TYR 69 -17.995 8.340 -6.199 529 HA TYR 69 HA TYR 69 -19.011 10.969 -5.163 530 HB2 TYR 69 1HB TYR 69 -17.655 10.295 -7.776 531 HB3 TYR 69 2HB TYR 69 -18.202 11.893 -7.287 532 HD1 TYR 69 1HD TYR 69 -17.048 13.088 -5.395 533 HD2 TYR 69 2HD TYR 69 -15.554 9.395 -7.051 534 HE1 TYR 69 1HE TYR 69 -14.815 13.531 -4.376 535 HE2 TYR 69 2HE TYR 69 -13.327 9.834 -6.025 536 HH TYR 69 HH TYR 69 -12.061 11.267 -4.761 537 H CYS 70 H CYS 70 -19.904 8.173 -7.056 538 HA CYS 70 HA CYS 70 -22.589 9.272 -7.394 539 HB2 CYS 70 1HB CYS 70 -22.814 8.911 -9.723 540 HB3 CYS 70 2HB CYS 70 -21.429 9.954 -9.467 541 H SER 71 H SER 71 -23.809 7.332 -8.809 542 HA SER 71 HA SER 71 -23.868 5.081 -6.953 543 HB2 SER 71 1HB SER 71 -25.529 5.601 -9.442 544 HB3 SER 71 2HB SER 71 -25.869 4.409 -8.173 545 HG SER 71 HG SER 71 -27.064 6.350 -7.881 546 H PHE 72 H PHE 72 -21.856 5.523 -9.561 547 HA PHE 72 HA PHE 72 -22.172 3.164 -11.105 548 HB2 PHE 72 1HB PHE 72 -20.952 5.147 -11.835 549 HB3 PHE 72 2HB PHE 72 -19.744 4.897 -10.584 550 HD1 PHE 72 1HD PHE 72 -21.157 3.417 -13.721 551 HD2 PHE 72 2HD PHE 72 -17.857 3.502 -10.948 552 HE1 PHE 72 1HE PHE 72 -19.790 2.066 -15.298 553 HE2 PHE 72 2HE PHE 72 -16.489 2.160 -12.531 554 HZ PHE 72 HZ PHE 72 -17.459 1.441 -14.709 555 H THR 73 H THR 73 -21.160 1.194 -11.177 556 HA THR 73 HA THR 73 -19.219 0.423 -9.099 557 HB THR 73 HB THR 73 -20.249 -1.768 -8.740 558 HG1 THR 73 1HG THR 73 -22.527 -0.696 -10.040 559 HG21 THR 73 3HG2 THR 73 -22.219 0.443 -8.033 560 HG22 THR 73 1HG2 THR 73 -20.768 0.004 -7.109 561 HG23 THR 73 2HG2 THR 73 -22.089 -1.163 -7.280 562 H CYS 74 H CYS 74 -17.850 -1.309 -9.670 563 HA CYS 74 HA CYS 74 -18.117 -2.526 -12.346 564 HB2 CYS 74 1HB CYS 74 -16.799 -0.373 -12.617 565 HB3 CYS 74 2HB CYS 74 -15.561 -1.061 -11.546 566 HG CYS 74 HG CYS 74 -16.748 -2.174 -14.455 567 H LEU 75 H LEU 75 -16.836 -4.452 -12.605 568 HA LEU 75 HA LEU 75 -16.193 -5.877 -10.116 569 HB2 LEU 75 1HB LEU 75 -16.135 -6.670 -13.055 570 HB3 LEU 75 2HB LEU 75 -15.563 -7.704 -11.757 571 HG LEU 75 HG LEU 75 -17.853 -7.562 -10.683 572 HD11 LEU 75 1HD1 LEU 75 -18.605 -6.428 -13.417 573 HD12 LEU 75 2HD1 LEU 75 -18.873 -5.653 -11.837 574 HD13 LEU 75 3HD1 LEU 75 -19.757 -7.118 -12.256 575 HD21 LEU 75 3HD2 LEU 75 -17.630 -8.785 -13.467 576 HD22 LEU 75 1HD2 LEU 75 -18.783 -9.269 -12.202 577 HD23 LEU 75 2HD2 LEU 75 -17.050 -9.516 -11.953 578 H SER 76 H SER 76 -14.452 -3.676 -11.940 579 HA SER 76 HA SER 76 -11.829 -4.761 -10.987 580 HB2 SER 76 1HB SER 76 -11.820 -4.942 -13.361 581 HB3 SER 76 2HB SER 76 -12.471 -3.308 -13.564 582 HG SER 76 HG SER 76 -10.079 -3.659 -13.780 583 H LYS 77 H LYS 77 -10.847 -3.560 -9.557 584 HA LYS 77 HA LYS 77 -11.645 -0.895 -8.783 585 HB2 LYS 77 1HB LYS 77 -10.620 -2.565 -7.261 586 HB3 LYS 77 2HB LYS 77 -9.124 -2.505 -8.188 587 HG2 LYS 77 1HG LYS 77 -8.915 -1.237 -6.139 588 HG3 LYS 77 2HG LYS 77 -8.774 -0.155 -7.521 589 HD2 LYS 77 1HD LYS 77 -11.083 0.644 -7.171 590 HD3 LYS 77 2HD LYS 77 -11.311 -0.540 -5.861 591 HE2 LYS 77 1HE LYS 77 -9.436 0.532 -4.607 592 HE3 LYS 77 2HE LYS 77 -9.255 1.721 -5.902 593 HZ1 LYS 77 3HZ LYS 77 -10.602 2.583 -4.075 594 HZ2 LYS 77 1HZ LYS 77 -11.691 1.382 -4.227 595 HZ3 LYS 77 2HZ LYS 77 -11.520 2.492 -5.419 596 H GLY 78 H GLY 78 -9.287 -2.133 -11.096 597 HA2 GLY 78 1HA GLY 78 -7.832 0.330 -11.560 598 HA3 GLY 78 2HA GLY 78 -7.926 -1.073 -12.635 599 H HIS 79 H HIS 79 -10.637 -1.228 -13.230 600 HA HIS 79 HA HIS 79 -11.042 0.955 -15.078 601 HB2 HIS 79 1HB HIS 79 -11.873 -1.384 -15.374 602 HB3 HIS 79 2HB HIS 79 -13.041 -1.097 -14.081 603 HD1 HIS 79 1HD HIS 79 -12.438 -0.326 -17.764 604 HD2 HIS 79 2HD HIS 79 -15.086 0.668 -14.649 605 HE1 HIS 79 1HE HIS 79 -14.437 0.817 -18.861 606 H LEU 80 H LEU 80 -12.375 0.278 -11.808 607 HA LEU 80 HA LEU 80 -14.091 2.554 -11.708 608 HB2 LEU 80 1HB LEU 80 -14.222 0.667 -10.133 609 HB3 LEU 80 2HB LEU 80 -12.634 1.084 -9.483 610 HG LEU 80 HG LEU 80 -13.521 3.257 -8.664 611 HD11 LEU 80 1HD1 LEU 80 -15.975 3.607 -8.614 612 HD12 LEU 80 2HD1 LEU 80 -16.203 2.193 -9.664 613 HD13 LEU 80 3HD1 LEU 80 -15.360 3.648 -10.259 614 HD21 LEU 80 3HD2 LEU 80 -15.227 0.915 -7.785 615 HD22 LEU 80 1HD2 LEU 80 -14.812 2.367 -6.845 616 HD23 LEU 80 2HD2 LEU 80 -13.550 1.200 -7.256 617 H LYS 81 H LYS 81 -10.581 2.260 -10.873 618 HA LYS 81 HA LYS 81 -10.263 5.000 -10.087 619 HB2 LYS 81 1HB LYS 81 -8.551 3.323 -9.640 620 HB3 LYS 81 2HB LYS 81 -8.236 3.121 -11.369 621 HG2 LYS 81 1HG LYS 81 -7.431 5.413 -11.562 622 HG3 LYS 81 2HG LYS 81 -7.914 5.771 -9.890 623 HD2 LYS 81 1HD LYS 81 -6.239 4.207 -9.029 624 HD3 LYS 81 2HD LYS 81 -5.862 3.657 -10.663 625 HE2 LYS 81 1HE LYS 81 -4.121 5.131 -9.907 626 HE3 LYS 81 2HE LYS 81 -4.973 5.877 -11.259 627 HZ1 LYS 81 3HZ LYS 81 -4.470 7.354 -9.297 628 HZ2 LYS 81 1HZ LYS 81 -5.602 6.557 -8.435 629 HZ3 LYS 81 2HZ LYS 81 -6.006 7.421 -9.783 630 H VAL 82 H VAL 82 -9.988 3.526 -13.382 631 HA VAL 82 HA VAL 82 -9.507 5.998 -14.733 632 HB VAL 82 HB VAL 82 -10.922 3.510 -15.757 633 HG11 VAL 82 1HG1 VAL 82 -11.529 5.388 -17.218 634 HG12 VAL 82 2HG1 VAL 82 -9.831 5.915 -17.292 635 HG13 VAL 82 3HG1 VAL 82 -10.333 4.374 -18.024 636 HG21 VAL 82 3HG2 VAL 82 -8.064 4.525 -16.120 637 HG22 VAL 82 1HG2 VAL 82 -8.542 3.175 -15.076 638 HG23 VAL 82 2HG2 VAL 82 -8.752 3.043 -16.823 639 H HIS 83 H HIS 83 -12.688 4.505 -13.877 640 HA HIS 83 HA HIS 83 -14.331 6.562 -14.941 641 HB2 HIS 83 1HB HIS 83 -15.323 4.532 -14.189 642 HB3 HIS 83 2HB HIS 83 -14.659 4.696 -12.573 643 HD1 HIS 83 1HD HIS 83 -17.540 6.042 -14.695 644 HD2 HIS 83 2HD HIS 83 -15.924 6.253 -10.822 645 HE1 HIS 83 1HE HIS 83 -19.294 7.205 -13.278 646 H ILE 84 H ILE 84 -12.808 6.433 -11.651 647 HA ILE 84 HA ILE 84 -13.866 8.996 -10.863 648 HB ILE 84 HB ILE 84 -11.540 7.372 -9.789 649 HG12 ILE 84 1HG1 ILE 84 -14.364 7.814 -8.686 650 HG13 ILE 84 2HG1 ILE 84 -13.903 6.411 -9.636 651 HG21 ILE 84 1HG2 ILE 84 -11.676 8.831 -7.774 652 HG22 ILE 84 2HG2 ILE 84 -11.214 9.758 -9.187 653 HG23 ILE 84 3HG2 ILE 84 -12.887 9.842 -8.592 654 HD11 ILE 84 3HD1 ILE 84 -12.827 7.117 -6.891 655 HD12 ILE 84 1HD1 ILE 84 -13.878 5.769 -7.343 656 HD13 ILE 84 2HD1 ILE 84 -12.199 5.802 -7.919 657 H GLU 85 H GLU 85 -10.663 8.121 -12.203 658 HA GLU 85 HA GLU 85 -9.478 10.695 -12.194 659 HB2 GLU 85 1HB GLU 85 -9.141 8.327 -14.070 660 HB3 GLU 85 2HB GLU 85 -8.082 9.716 -14.098 661 HG2 GLU 85 1HG GLU 85 -8.462 8.013 -11.598 662 HG3 GLU 85 2HG GLU 85 -7.301 7.605 -12.856 663 H ARG 86 H ARG 86 -11.654 9.234 -14.633 664 HA ARG 86 HA ARG 86 -11.360 11.572 -16.433 665 HB2 ARG 86 1HB ARG 86 -12.967 8.999 -16.686 666 HB3 ARG 86 2HB ARG 86 -12.858 10.239 -17.923 667 HG2 ARG 86 1HG ARG 86 -10.542 8.553 -16.879 668 HG3 ARG 86 2HG ARG 86 -11.368 8.352 -18.415 669 HD2 ARG 86 1HD ARG 86 -9.671 10.733 -17.565 670 HD3 ARG 86 2HD ARG 86 -9.195 9.439 -18.672 671 HE ARG 86 HE ARG 86 -11.513 10.480 -19.802 672 HH11 ARG 86 2HH2 ARG 86 -8.370 11.829 -19.036 673 HH12 ARG 86 1HH2 ARG 86 -8.479 13.031 -20.292 674 HH21 ARG 86 1HH1 ARG 86 -11.590 12.043 -21.378 675 HH22 ARG 86 2HH1 ARG 86 -10.255 13.138 -21.584 676 H VAL 87 H VAL 87 -13.918 10.281 -14.316 677 HA VAL 87 HA VAL 87 -15.809 12.301 -15.386 678 HB VAL 87 HB VAL 87 -16.326 10.014 -13.460 679 HG11 VAL 87 1HG1 VAL 87 -18.242 11.768 -15.049 680 HG12 VAL 87 2HG1 VAL 87 -18.692 10.309 -14.137 681 HG13 VAL 87 3HG1 VAL 87 -18.072 11.716 -13.280 682 HG21 VAL 87 3HG2 VAL 87 -15.609 9.159 -15.684 683 HG22 VAL 87 1HG2 VAL 87 -17.331 8.887 -15.436 684 HG23 VAL 87 2HG2 VAL 87 -16.789 10.222 -16.476 685 H HIS 88 H HIS 88 -14.178 11.598 -12.284 686 HA HIS 88 HA HIS 88 -15.721 13.851 -11.036 687 HB2 HIS 88 1HB HIS 88 -14.485 11.398 -9.760 688 HB3 HIS 88 2HB HIS 88 -15.411 12.649 -8.935 689 HD1 HIS 88 1HD HIS 88 -18.086 12.893 -10.084 690 HD2 HIS 88 2HD HIS 88 -15.894 9.324 -10.351 691 HE1 HIS 88 1HE HIS 88 -19.804 11.048 -10.428 692 H LYS 89 H LYS 89 -12.420 12.696 -11.534 693 HA LYS 89 HA LYS 89 -11.243 14.406 -9.528 694 HB2 LYS 89 1HB LYS 89 -10.479 12.117 -10.412 695 HB3 LYS 89 2HB LYS 89 -9.755 13.016 -11.752 696 HG2 LYS 89 1HG LYS 89 -8.452 14.349 -9.984 697 HG3 LYS 89 2HG LYS 89 -9.143 13.260 -8.765 698 HD2 LYS 89 1HD LYS 89 -8.172 11.316 -9.997 699 HD3 LYS 89 2HD LYS 89 -7.466 12.445 -11.175 700 HE2 LYS 89 1HE LYS 89 -6.183 13.516 -9.288 701 HE3 LYS 89 2HE LYS 89 -6.821 12.269 -8.201 702 HZ1 LYS 89 3HZ LYS 89 -5.125 11.792 -10.593 703 HZ2 LYS 89 1HZ LYS 89 -5.802 10.601 -9.742 704 HZ3 LYS 89 2HZ LYS 89 -4.668 11.572 -9.031 705 H LYS 90 H LYS 90 -12.726 16.114 -11.039 706 HA LYS 90 HA LYS 90 -11.114 17.558 -13.016 707 HB2 LYS 90 1HB LYS 90 -13.586 17.422 -13.135 708 HB3 LYS 90 2HB LYS 90 -13.713 18.352 -11.634 709 HG2 LYS 90 1HG LYS 90 -12.641 20.292 -12.711 710 HG3 LYS 90 2HG LYS 90 -12.363 19.346 -14.187 711 HD2 LYS 90 1HD LYS 90 -14.815 19.104 -14.487 712 HD3 LYS 90 2HD LYS 90 -15.089 20.060 -13.012 713 HE2 LYS 90 1HE LYS 90 -13.911 21.987 -14.031 714 HE3 LYS 90 2HE LYS 90 -13.587 21.037 -15.486 715 HZ1 LYS 90 3HZ LYS 90 -15.990 20.892 -15.856 716 HZ2 LYS 90 1HZ LYS 90 -15.536 22.456 -15.775 717 HZ3 LYS 90 2HZ LYS 90 -16.300 21.765 -14.510 718 H ILE 91 H ILE 91 -9.934 19.364 -12.762 719 HA ILE 91 HA ILE 91 -9.370 20.338 -9.993 720 HB ILE 91 HB ILE 91 -7.641 20.545 -12.475 721 HG12 ILE 91 1HG1 ILE 91 -7.728 18.204 -11.869 722 HG13 ILE 91 2HG1 ILE 91 -6.165 18.872 -11.461 723 HG21 ILE 91 1HG2 ILE 91 -5.848 21.158 -10.835 724 HG22 ILE 91 2HG2 ILE 91 -7.138 22.353 -10.950 725 HG23 ILE 91 3HG2 ILE 91 -7.082 21.245 -9.561 726 HD11 ILE 91 3HD1 ILE 91 -6.808 18.962 -9.058 727 HD12 ILE 91 1HD1 ILE 91 -8.403 18.287 -9.469 728 HD13 ILE 91 2HD1 ILE 91 -6.937 17.330 -9.729 729 H LYS 92 H LYS 92 -9.577 22.446 -9.485 730 HA LYS 92 HA LYS 92 -10.408 24.457 -11.522 731 HB2 LYS 92 1HB LYS 92 -11.884 23.829 -8.929 732 HB3 LYS 92 2HB LYS 92 -12.142 25.265 -9.926 733 HG2 LYS 92 1HG LYS 92 -12.828 23.817 -11.841 734 HG3 LYS 92 2HG LYS 92 -12.582 22.383 -10.837 735 HD2 LYS 92 1HD LYS 92 -14.929 22.873 -10.898 736 HD3 LYS 92 2HD LYS 92 -14.329 23.176 -9.261 737 HE2 LYS 92 1HE LYS 92 -14.240 25.616 -9.749 738 HE3 LYS 92 2HE LYS 92 -14.799 25.310 -11.400 739 HZ1 LYS 92 3HZ LYS 92 -16.874 24.440 -10.457 740 HZ2 LYS 92 1HZ LYS 92 -16.627 25.967 -9.945 741 HZ3 LYS 92 2HZ LYS 92 -16.352 24.719 -8.934 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 31.783 14.600 27.729 2 H2 GLY 1 2H GLY 1 33.132 14.292 26.852 3 H3 GLY 1 3H GLY 1 31.660 13.850 26.280 4 HA2 GLY 1 1HA GLY 1 32.572 16.622 26.697 5 HA3 GLY 1 2HA GLY 1 32.446 15.811 25.125 6 H SER 2 H SER 2 31.140 18.121 25.317 7 HA SER 2 HA SER 2 28.464 18.040 26.320 8 HB2 SER 2 1HB SER 2 29.610 19.749 24.081 9 HB3 SER 2 2HB SER 2 28.133 20.078 25.003 10 HG SER 2 HG SER 2 29.399 20.326 26.874 11 H SER 3 H SER 3 26.469 17.848 25.283 12 HA SER 3 HA SER 3 26.321 15.923 23.096 13 HB2 SER 3 1HB SER 3 24.780 15.958 25.068 14 HB3 SER 3 2HB SER 3 24.063 17.452 24.430 15 HG SER 3 HG SER 3 22.929 15.537 23.781 16 H GLY 4 H GLY 4 25.250 16.213 21.093 17 HA2 GLY 4 1HA GLY 4 24.225 18.602 20.016 18 HA3 GLY 4 2HA GLY 4 25.938 18.553 19.588 19 H SER 5 H SER 5 23.927 18.552 17.672 20 HA SER 5 HA SER 5 24.477 16.079 16.186 21 HB2 SER 5 1HB SER 5 22.111 15.612 15.716 22 HB3 SER 5 2HB SER 5 22.470 15.455 17.439 23 HG SER 5 HG SER 5 20.527 16.617 17.073 24 H SER 6 H SER 6 23.651 16.184 13.947 25 HA SER 6 HA SER 6 23.288 18.941 12.850 26 HB2 SER 6 1HB SER 6 25.182 16.822 11.768 27 HB3 SER 6 2HB SER 6 24.791 18.362 10.985 28 HG SER 6 HG SER 6 26.748 18.461 12.199 29 H GLY 7 H GLY 7 21.954 19.108 11.085 30 HA2 GLY 7 1HA GLY 7 20.063 16.959 10.574 31 HA3 GLY 7 2HA GLY 7 20.087 18.548 9.816 32 H LYS 8 H LYS 8 19.581 15.981 8.593 33 HA LYS 8 HA LYS 8 21.358 16.244 6.264 34 HB2 LYS 8 1HB LYS 8 22.439 14.518 7.719 35 HB3 LYS 8 2HB LYS 8 20.966 13.543 7.648 36 HG2 LYS 8 1HG LYS 8 21.240 13.197 5.254 37 HG3 LYS 8 2HG LYS 8 22.560 14.382 5.185 38 HD2 LYS 8 1HD LYS 8 23.966 12.937 6.595 39 HD3 LYS 8 2HD LYS 8 22.644 11.759 6.739 40 HE2 LYS 8 1HE LYS 8 22.665 11.413 4.290 41 HE3 LYS 8 2HE LYS 8 23.931 12.633 4.111 42 HZ1 LYS 8 3HZ LYS 8 24.863 10.392 4.128 43 HZ2 LYS 8 1HZ LYS 8 24.248 10.084 5.609 44 HZ3 LYS 8 2HZ LYS 8 25.410 11.218 5.423 45 H ILE 9 H ILE 9 20.479 15.426 4.352 46 HA ILE 9 HA ILE 9 17.551 14.838 4.335 47 HB ILE 9 HB ILE 9 18.981 16.904 2.613 48 HG12 ILE 9 1HG1 ILE 9 16.908 17.299 4.825 49 HG13 ILE 9 2HG1 ILE 9 18.623 17.683 4.962 50 HG21 ILE 9 1HG2 ILE 9 16.055 16.065 2.693 51 HG22 ILE 9 2HG2 ILE 9 16.718 17.410 1.735 52 HG23 ILE 9 3HG2 ILE 9 17.204 15.775 1.362 53 HD11 ILE 9 3HD1 ILE 9 16.628 19.103 3.185 54 HD12 ILE 9 1HD1 ILE 9 17.502 19.724 4.591 55 HD13 ILE 9 2HD1 ILE 9 18.396 19.338 3.107 56 H PHE 10 H PHE 10 16.861 13.492 2.722 57 HA PHE 10 HA PHE 10 18.940 12.135 1.043 58 HB2 PHE 10 1HB PHE 10 16.590 10.952 2.575 59 HB3 PHE 10 2HB PHE 10 17.654 10.065 1.500 60 HD1 PHE 10 1HD PHE 10 17.462 11.832 4.765 61 HD2 PHE 10 2HD PHE 10 19.884 9.384 2.169 62 HE1 PHE 10 1HE PHE 10 19.034 11.402 6.640 63 HE2 PHE 10 2HE PHE 10 21.447 8.944 4.046 64 HZ PHE 10 HZ PHE 10 21.020 9.936 6.285 65 H THR 11 H THR 11 18.404 11.750 -1.112 66 HA THR 11 HA THR 11 15.716 12.673 -2.041 67 HB THR 11 HB THR 11 18.383 13.374 -3.309 68 HG1 THR 11 1HG THR 11 18.213 14.526 -1.439 69 HG21 THR 11 3HG2 THR 11 15.552 14.376 -3.809 70 HG22 THR 11 1HG2 THR 11 16.536 13.394 -4.920 71 HG23 THR 11 2HG2 THR 11 17.027 15.049 -4.534 72 H CYS 12 H CYS 12 14.767 11.554 -3.627 73 HA CYS 12 HA CYS 12 15.842 9.000 -4.518 74 HB2 CYS 12 1HB CYS 12 13.503 9.324 -3.935 75 HB3 CYS 12 2HB CYS 12 13.327 10.557 -5.203 76 H GLU 13 H GLU 13 16.865 8.530 -6.349 77 HA GLU 13 HA GLU 13 17.633 10.673 -8.202 78 HB2 GLU 13 1HB GLU 13 19.174 9.102 -9.138 79 HB3 GLU 13 2HB GLU 13 19.284 9.057 -7.381 80 HG2 GLU 13 1HG GLU 13 17.887 6.979 -7.364 81 HG3 GLU 13 2HG GLU 13 17.831 7.022 -9.130 82 H TYR 14 H TYR 14 15.000 8.544 -8.103 83 HA TYR 14 HA TYR 14 14.775 8.309 -11.066 84 HB2 TYR 14 1HB TYR 14 13.257 6.976 -8.821 85 HB3 TYR 14 2HB TYR 14 13.008 6.673 -10.531 86 HD1 TYR 14 2HD TYR 14 14.864 5.633 -11.907 87 HD2 TYR 14 1HD TYR 14 15.005 5.871 -7.601 88 HE1 TYR 14 2HE TYR 14 16.590 3.837 -11.865 89 HE2 TYR 14 1HE TYR 14 16.732 4.065 -7.565 90 HH TYR 14 HH TYR 14 17.948 2.531 -10.563 91 H CYS 15 H CYS 15 13.100 9.832 -8.334 92 HA CYS 15 HA CYS 15 11.308 11.220 -10.261 93 HB2 CYS 15 1HB CYS 15 9.385 10.877 -8.883 94 HB3 CYS 15 2HB CYS 15 10.086 9.327 -9.348 95 H ASN 16 H ASN 16 13.669 11.801 -8.113 96 HA ASN 16 HA ASN 16 14.425 13.535 -6.951 97 HB2 ASN 16 1HB ASN 16 13.993 14.510 -9.256 98 HB3 ASN 16 2HB ASN 16 12.562 15.279 -8.572 99 HD21 ASN 16 1HD2 ASN 16 13.446 17.381 -9.022 100 HD22 ASN 16 2HD2 ASN 16 14.789 18.007 -8.075 101 H LYS 17 H LYS 17 11.898 12.238 -5.836 102 HA LYS 17 HA LYS 17 10.767 14.239 -4.047 103 HB2 LYS 17 1HB LYS 17 10.873 11.202 -3.968 104 HB3 LYS 17 2HB LYS 17 10.150 12.171 -2.672 105 HG2 LYS 17 1HG LYS 17 8.575 13.196 -4.283 106 HG3 LYS 17 2HG LYS 17 9.265 12.193 -5.573 107 HD2 LYS 17 1HD LYS 17 8.727 10.164 -4.095 108 HD3 LYS 17 2HD LYS 17 7.811 11.248 -3.051 109 HE2 LYS 17 1HE LYS 17 7.309 10.720 -6.014 110 HE3 LYS 17 2HE LYS 17 6.424 9.985 -4.669 111 HZ1 LYS 17 3HZ LYS 17 6.453 12.891 -5.300 112 HZ2 LYS 17 1HZ LYS 17 5.660 12.219 -4.036 113 HZ3 LYS 17 2HZ LYS 17 5.207 11.876 -5.565 114 H VAL 18 H VAL 18 11.107 14.456 -1.874 115 HA VAL 18 HA VAL 18 13.916 13.973 -0.939 116 HB VAL 18 HB VAL 18 12.236 16.466 -0.497 117 HG11 VAL 18 1HG1 VAL 18 14.375 17.395 0.408 118 HG12 VAL 18 2HG1 VAL 18 13.762 16.070 1.396 119 HG13 VAL 18 3HG1 VAL 18 15.105 15.783 0.261 120 HG21 VAL 18 3HG2 VAL 18 14.710 16.017 -2.229 121 HG22 VAL 18 1HG2 VAL 18 13.071 16.364 -2.826 122 HG23 VAL 18 2HG2 VAL 18 13.945 17.586 -1.905 123 H PHE 19 H PHE 19 14.249 13.304 1.070 124 HA PHE 19 HA PHE 19 11.962 12.790 2.915 125 HB2 PHE 19 1HB PHE 19 14.126 10.817 2.074 126 HB3 PHE 19 2HB PHE 19 12.827 10.514 3.217 127 HD1 PHE 19 2HD PHE 19 10.460 10.285 2.430 128 HD2 PHE 19 1HD PHE 19 13.731 10.784 -0.333 129 HE1 PHE 19 2HE PHE 19 8.974 9.627 0.549 130 HE2 PHE 19 1HE PHE 19 12.248 10.120 -2.207 131 HZ PHE 19 HZ PHE 19 9.851 9.579 -1.779 132 H LYS 20 H LYS 20 12.473 12.633 5.104 133 HA LYS 20 HA LYS 20 14.783 14.215 5.931 134 HB2 LYS 20 1HB LYS 20 12.409 14.432 6.772 135 HB3 LYS 20 2HB LYS 20 12.638 12.928 7.667 136 HG2 LYS 20 1HG LYS 20 14.340 13.932 9.065 137 HG3 LYS 20 2HG LYS 20 14.499 15.322 7.981 138 HD2 LYS 20 1HD LYS 20 13.315 15.991 9.974 139 HD3 LYS 20 2HD LYS 20 12.232 16.085 8.578 140 HE2 LYS 20 1HE LYS 20 11.233 13.889 9.223 141 HE3 LYS 20 2HE LYS 20 12.330 13.809 10.610 142 HZ1 LYS 20 3HZ LYS 20 10.267 15.909 10.193 143 HZ2 LYS 20 1HZ LYS 20 11.278 15.831 11.474 144 HZ3 LYS 20 2HZ LYS 20 10.151 14.673 11.251 145 H PHE 21 H PHE 21 14.224 10.823 5.741 146 HA PHE 21 HA PHE 21 16.691 10.261 7.321 147 HB2 PHE 21 1HB PHE 21 14.089 8.710 7.535 148 HB3 PHE 21 2HB PHE 21 15.589 8.356 8.370 149 HD1 PHE 21 2HD PHE 21 16.516 10.110 10.036 150 HD2 PHE 21 1HD PHE 21 12.472 10.146 8.535 151 HE1 PHE 21 2HE PHE 21 15.801 11.475 11.985 152 HE2 PHE 21 1HE PHE 21 11.753 11.472 10.504 153 HZ PHE 21 HZ PHE 21 13.420 12.150 12.229 154 H LYS 22 H LYS 22 17.810 8.396 6.809 155 HA LYS 22 HA LYS 22 17.931 7.594 4.096 156 HB2 LYS 22 1HB LYS 22 19.727 7.483 5.921 157 HB3 LYS 22 2HB LYS 22 18.953 6.005 6.494 158 HG2 LYS 22 1HG LYS 22 19.340 4.950 4.269 159 HG3 LYS 22 2HG LYS 22 20.060 6.465 3.682 160 HD2 LYS 22 1HD LYS 22 21.817 6.285 5.461 161 HD3 LYS 22 2HD LYS 22 21.114 4.734 5.968 162 HE2 LYS 22 1HE LYS 22 21.510 3.835 3.671 163 HE3 LYS 22 2HE LYS 22 22.234 5.380 3.202 164 HZ1 LYS 22 3HZ LYS 22 23.288 3.576 5.320 165 HZ2 LYS 22 1HZ LYS 22 23.958 5.003 4.889 166 HZ3 LYS 22 2HZ LYS 22 23.932 3.760 3.834 167 H HIS 23 H HIS 23 16.367 5.962 6.865 168 HA HIS 23 HA HIS 23 15.561 3.636 5.410 169 HB2 HIS 23 1HB HIS 23 14.071 3.209 7.310 170 HB3 HIS 23 2HB HIS 23 15.722 3.566 7.783 171 HD1 HIS 23 1HD HIS 23 15.981 5.399 9.627 172 HD2 HIS 23 2HD HIS 23 12.221 5.320 7.735 173 HE1 HIS 23 1HE HIS 23 14.495 7.020 10.915 174 H SER 24 H SER 24 13.968 6.814 5.776 175 HA SER 24 HA SER 24 11.464 6.037 4.588 176 HB2 SER 24 1HB SER 24 12.802 8.763 4.687 177 HB3 SER 24 2HB SER 24 11.109 8.441 4.258 178 HG SER 24 HG SER 24 11.192 8.962 6.434 179 H LEU 25 H LEU 25 14.480 7.426 3.161 180 HA LEU 25 HA LEU 25 13.479 7.350 0.460 181 HB2 LEU 25 1HB LEU 25 15.373 8.753 1.031 182 HB3 LEU 25 2HB LEU 25 16.310 7.356 1.569 183 HG LEU 25 HG LEU 25 16.358 6.466 -0.737 184 HD11 LEU 25 1HD1 LEU 25 14.964 9.056 -1.541 185 HD12 LEU 25 2HD1 LEU 25 14.247 7.433 -1.636 186 HD13 LEU 25 3HD1 LEU 25 15.636 7.832 -2.639 187 HD21 LEU 25 3HD2 LEU 25 18.148 7.988 0.041 188 HD22 LEU 25 1HD2 LEU 25 17.245 9.360 -0.651 189 HD23 LEU 25 2HD2 LEU 25 17.871 8.085 -1.708 190 H GLN 26 H GLN 26 15.436 4.952 2.346 191 HA GLN 26 HA GLN 26 15.673 3.042 0.257 192 HB2 GLN 26 1HB GLN 26 15.650 2.827 3.282 193 HB3 GLN 26 2HB GLN 26 15.829 1.399 2.283 194 HG2 GLN 26 1HG GLN 26 17.656 3.845 2.124 195 HG3 GLN 26 2HG GLN 26 18.010 2.400 3.061 196 HE21 GLN 26 1HE2 GLN 26 19.801 3.304 1.081 197 HE22 GLN 26 2HE2 GLN 26 19.781 2.133 -0.228 198 H ALA 27 H ALA 27 12.993 3.425 2.620 199 HA ALA 27 HA ALA 27 11.511 1.173 1.583 200 HB1 ALA 27 1HB ALA 27 9.718 2.058 2.990 201 HB2 ALA 27 2HB ALA 27 11.269 2.034 3.860 202 HB3 ALA 27 3HB ALA 27 10.628 3.570 3.227 203 H HIS 28 H HIS 28 11.559 4.656 0.722 204 HA HIS 28 HA HIS 28 9.335 4.542 -1.108 205 HB2 HIS 28 1HB HIS 28 10.059 6.676 -0.315 206 HB3 HIS 28 2HB HIS 28 11.722 6.397 -0.833 207 HD1 HIS 28 1HD HIS 28 8.253 6.819 -2.521 208 HD2 HIS 28 2HD HIS 28 12.384 7.098 -3.252 209 HE1 HIS 28 1HE HIS 28 8.479 7.673 -4.897 210 H LEU 29 H LEU 29 12.864 4.070 -1.608 211 HA LEU 29 HA LEU 29 12.858 3.873 -4.407 212 HB2 LEU 29 1HB LEU 29 14.628 2.649 -2.268 213 HB3 LEU 29 2HB LEU 29 14.968 2.419 -3.976 214 HG LEU 29 HG LEU 29 14.753 5.182 -2.709 215 HD11 LEU 29 1HD1 LEU 29 17.224 3.509 -3.328 216 HD12 LEU 29 2HD1 LEU 29 16.620 3.917 -1.707 217 HD13 LEU 29 3HD1 LEU 29 17.218 5.197 -2.772 218 HD21 LEU 29 3HD2 LEU 29 15.877 4.232 -5.368 219 HD22 LEU 29 1HD2 LEU 29 16.015 5.882 -4.723 220 HD23 LEU 29 2HD2 LEU 29 14.430 5.238 -5.128 221 H ARG 30 H ARG 30 11.644 1.499 -2.190 222 HA ARG 30 HA ARG 30 11.820 -0.892 -3.678 223 HB2 ARG 30 1HB ARG 30 9.591 0.092 -1.841 224 HB3 ARG 30 2HB ARG 30 9.787 -1.577 -2.379 225 HG2 ARG 30 1HG ARG 30 11.981 -1.732 -1.271 226 HG3 ARG 30 2HG ARG 30 11.854 -0.044 -0.749 227 HD2 ARG 30 1HD ARG 30 9.804 -0.588 0.527 228 HD3 ARG 30 2HD ARG 30 9.981 -2.295 0.069 229 HE ARG 30 HE ARG 30 12.429 -1.649 1.191 230 HH11 ARG 30 2HH1 ARG 30 9.148 -1.537 2.421 231 HH12 ARG 30 1HH1 ARG 30 9.665 -1.735 4.073 232 HH21 ARG 30 2HH2 ARG 30 13.016 -1.917 3.318 233 HH22 ARG 30 1HH2 ARG 30 11.798 -1.950 4.559 234 H ILE 31 H ILE 31 9.689 1.858 -4.348 235 HA ILE 31 HA ILE 31 7.966 0.333 -6.135 236 HB ILE 31 HB ILE 31 6.879 2.286 -6.656 237 HG12 ILE 31 1HG1 ILE 31 9.174 3.931 -5.538 238 HG13 ILE 31 2HG1 ILE 31 8.674 3.798 -7.221 239 HG21 ILE 31 1HG2 ILE 31 6.601 1.344 -4.339 240 HG22 ILE 31 2HG2 ILE 31 7.653 2.648 -3.740 241 HG23 ILE 31 3HG2 ILE 31 6.104 3.025 -4.516 242 HD11 ILE 31 3HD1 ILE 31 7.835 5.865 -6.416 243 HD12 ILE 31 1HD1 ILE 31 6.450 4.769 -6.610 244 HD13 ILE 31 2HD1 ILE 31 7.105 5.106 -4.987 245 H HIS 32 H HIS 32 10.975 2.085 -6.507 246 HA HIS 32 HA HIS 32 10.848 2.111 -9.456 247 HB2 HIS 32 1HB HIS 32 13.052 2.980 -7.551 248 HB3 HIS 32 2HB HIS 32 12.998 3.268 -9.284 249 HD1 HIS 32 1HD HIS 32 10.544 4.773 -9.969 250 HD2 HIS 32 2HD HIS 32 12.380 5.061 -6.208 251 HE1 HIS 32 1HE HIS 32 9.798 7.002 -9.006 252 H THR 33 H THR 33 12.521 0.313 -6.854 253 HA THR 33 HA THR 33 14.018 -1.368 -8.735 254 HB THR 33 HB THR 33 14.738 -2.608 -6.760 255 HG1 THR 33 1HG THR 33 12.928 -2.401 -5.494 256 HG21 THR 33 3HG2 THR 33 15.956 -0.541 -7.411 257 HG22 THR 33 1HG2 THR 33 16.010 -0.847 -5.666 258 HG23 THR 33 2HG2 THR 33 14.927 0.403 -6.310 259 H ASN 34 H ASN 34 11.932 -1.742 -9.921 260 HA ASN 34 HA ASN 34 10.005 -3.546 -8.757 261 HB2 ASN 34 1HB ASN 34 9.632 -1.615 -10.439 262 HB3 ASN 34 2HB ASN 34 10.164 -2.746 -11.684 263 HD21 ASN 34 1HD2 ASN 34 7.733 -2.204 -9.110 264 HD22 ASN 34 2HD2 ASN 34 6.509 -3.220 -9.857 265 H GLU 35 H GLU 35 12.638 -4.669 -8.842 266 HA GLU 35 HA GLU 35 12.791 -6.694 -10.944 267 HB2 GLU 35 1HB GLU 35 14.499 -6.278 -8.460 268 HB3 GLU 35 2HB GLU 35 14.903 -7.273 -9.868 269 HG2 GLU 35 1HG GLU 35 14.830 -5.215 -11.301 270 HG3 GLU 35 2HG GLU 35 14.540 -4.240 -9.858 271 H LYS 36 H LYS 36 10.896 -6.575 -8.330 272 HA LYS 36 HA LYS 36 11.100 -8.992 -6.887 273 HB2 LYS 36 1HB LYS 36 8.733 -7.209 -7.569 274 HB3 LYS 36 2HB LYS 36 8.664 -8.518 -6.382 275 HG2 LYS 36 1HG LYS 36 10.324 -7.458 -4.979 276 HG3 LYS 36 2HG LYS 36 10.690 -6.246 -6.213 277 HD2 LYS 36 1HD LYS 36 8.376 -5.320 -5.995 278 HD3 LYS 36 2HD LYS 36 8.054 -6.508 -4.722 279 HE2 LYS 36 1HE LYS 36 8.641 -4.476 -3.604 280 HE3 LYS 36 2HE LYS 36 9.999 -5.586 -3.425 281 HZ1 LYS 36 3HZ LYS 36 11.013 -4.350 -5.401 282 HZ2 LYS 36 1HZ LYS 36 10.892 -3.491 -4.020 283 HZ3 LYS 36 2HZ LYS 36 9.841 -3.219 -5.224 284 HA PRO 37 HA PRO 37 10.260 -11.623 -10.365 285 HB2 PRO 37 1HB PRO 37 10.344 -14.103 -9.182 286 HB3 PRO 37 2HB PRO 37 11.776 -13.068 -9.433 287 HG2 PRO 37 1HG PRO 37 10.109 -13.327 -6.912 288 HG3 PRO 37 2HG PRO 37 11.892 -13.433 -7.075 289 HD2 PRO 37 1HD PRO 37 10.691 -11.119 -6.341 290 HD3 PRO 37 2HD PRO 37 12.087 -11.104 -7.457 291 H TYR 38 H TYR 38 8.230 -12.123 -7.465 292 HA TYR 38 HA TYR 38 6.317 -13.721 -9.012 293 HB2 TYR 38 1HB TYR 38 6.210 -13.003 -6.087 294 HB3 TYR 38 2HB TYR 38 5.346 -14.291 -6.912 295 HD1 TYR 38 1HD TYR 38 7.438 -15.603 -8.580 296 HD2 TYR 38 2HD TYR 38 7.605 -14.062 -4.564 297 HE1 TYR 38 1HE TYR 38 9.371 -17.081 -8.099 298 HE2 TYR 38 2HE TYR 38 9.497 -15.626 -4.054 299 HH TYR 38 HH TYR 38 10.997 -17.663 -6.583 300 H LYS 39 H LYS 39 5.855 -12.028 -10.435 301 HA LYS 39 HA LYS 39 4.211 -9.746 -9.650 302 HB2 LYS 39 1HB LYS 39 5.008 -10.878 -12.344 303 HB3 LYS 39 2HB LYS 39 4.006 -9.427 -12.133 304 HG2 LYS 39 1HG LYS 39 5.750 -8.313 -10.869 305 HG3 LYS 39 2HG LYS 39 6.749 -9.768 -10.866 306 HD2 LYS 39 1HD LYS 39 6.801 -9.595 -13.413 307 HD3 LYS 39 2HD LYS 39 6.097 -7.976 -13.239 308 HE2 LYS 39 1HE LYS 39 8.629 -8.967 -11.863 309 HE3 LYS 39 2HE LYS 39 8.639 -8.066 -13.392 310 HZ1 LYS 39 3HZ LYS 39 7.616 -6.184 -12.178 311 HZ2 LYS 39 1HZ LYS 39 9.045 -6.585 -11.522 312 HZ3 LYS 39 2HZ LYS 39 7.669 -7.042 -10.780 313 H CYS 40 H CYS 40 2.057 -9.458 -9.919 314 HA CYS 40 HA CYS 40 0.334 -11.770 -9.819 315 HB2 CYS 40 1HB CYS 40 -0.094 -9.835 -8.504 316 HB3 CYS 40 2HB CYS 40 -0.181 -8.796 -9.939 317 HA PRO 41 HA PRO 41 -0.464 -11.926 -14.281 318 HB2 PRO 41 1HB PRO 41 -2.411 -13.829 -14.342 319 HB3 PRO 41 2HB PRO 41 -0.706 -14.209 -13.954 320 HG2 PRO 41 1HG PRO 41 -2.997 -13.752 -12.016 321 HG3 PRO 41 2HG PRO 41 -1.805 -15.088 -12.025 322 HD2 PRO 41 1HD PRO 41 -1.532 -12.845 -10.460 323 HD3 PRO 41 2HD PRO 41 -0.122 -13.715 -11.136 324 H GLN 42 H GLN 42 -2.596 -10.708 -11.858 325 HA GLN 42 HA GLN 42 -4.638 -9.871 -13.883 326 HB2 GLN 42 1HB GLN 42 -4.870 -10.288 -10.891 327 HB3 GLN 42 2HB GLN 42 -6.158 -9.674 -11.915 328 HG2 GLN 42 1HG GLN 42 -4.867 -12.426 -12.178 329 HG3 GLN 42 2HG GLN 42 -6.373 -12.088 -11.352 330 HE21 GLN 42 1HE2 GLN 42 -6.389 -13.980 -13.364 331 HE22 GLN 42 2HE2 GLN 42 -7.248 -13.324 -14.751 332 H CYS 43 H CYS 43 -2.390 -8.505 -11.419 333 HA CYS 43 HA CYS 43 -3.121 -5.826 -12.440 334 HB2 CYS 43 1HB CYS 43 -3.540 -4.920 -10.267 335 HB3 CYS 43 2HB CYS 43 -4.614 -6.285 -10.528 336 H SER 44 H SER 44 -1.675 -4.216 -10.861 337 HA SER 44 HA SER 44 1.001 -4.609 -11.909 338 HB2 SER 44 1HB SER 44 1.398 -2.347 -10.966 339 HB3 SER 44 2HB SER 44 -0.026 -2.438 -12.014 340 HG SER 44 HG SER 44 -0.447 -1.284 -10.064 341 H TYR 45 H TYR 45 -0.304 -5.865 -9.136 342 HA TYR 45 HA TYR 45 1.587 -5.431 -7.092 343 HB2 TYR 45 1HB TYR 45 -0.580 -6.408 -6.717 344 HB3 TYR 45 2HB TYR 45 -0.246 -7.740 -7.805 345 HD1 TYR 45 1HD TYR 45 1.490 -9.518 -7.091 346 HD2 TYR 45 2HD TYR 45 0.066 -6.447 -4.409 347 HE1 TYR 45 1HE TYR 45 2.317 -10.828 -5.147 348 HE2 TYR 45 2HE TYR 45 0.873 -7.779 -2.469 349 HH TYR 45 HH TYR 45 1.887 -9.705 -1.786 350 H ALA 46 H ALA 46 3.409 -6.400 -6.453 351 HA ALA 46 HA ALA 46 4.377 -8.873 -7.653 352 HB1 ALA 46 1HB ALA 46 5.350 -7.025 -9.090 353 HB2 ALA 46 2HB ALA 46 6.203 -6.432 -7.655 354 HB3 ALA 46 3HB ALA 46 6.556 -8.061 -8.292 355 H SER 47 H SER 47 5.860 -10.021 -6.330 356 HA SER 47 HA SER 47 6.903 -8.718 -3.896 357 HB2 SER 47 1HB SER 47 4.650 -9.724 -3.319 358 HB3 SER 47 2HB SER 47 5.347 -11.319 -3.655 359 HG SER 47 HG SER 47 6.296 -9.382 -1.762 360 H ALA 48 H ALA 48 8.369 -10.132 -2.675 361 HA ALA 48 HA ALA 48 10.071 -11.843 -4.413 362 HB1 ALA 48 1HB ALA 48 11.124 -9.871 -3.343 363 HB2 ALA 48 2HB ALA 48 10.656 -10.503 -1.743 364 HB3 ALA 48 3HB ALA 48 11.814 -11.395 -2.751 365 H ILE 49 H ILE 49 7.524 -12.297 -2.329 366 HA ILE 49 HA ILE 49 8.535 -14.966 -1.407 367 HB ILE 49 HB ILE 49 6.590 -13.135 0.036 368 HG12 ILE 49 1HG1 ILE 49 9.486 -13.850 0.688 369 HG13 ILE 49 2HG1 ILE 49 8.890 -12.267 0.185 370 HG21 ILE 49 1HG2 ILE 49 7.805 -15.808 0.887 371 HG22 ILE 49 2HG2 ILE 49 6.665 -14.825 1.830 372 HG23 ILE 49 3HG2 ILE 49 6.126 -15.580 0.351 373 HD11 ILE 49 3HD1 ILE 49 7.469 -12.181 2.256 374 HD12 ILE 49 1HD1 ILE 49 8.308 -13.651 2.817 375 HD13 ILE 49 2HD1 ILE 49 9.224 -12.166 2.533 376 H LYS 50 H LYS 50 7.469 -16.653 -2.194 377 HA LYS 50 HA LYS 50 5.360 -16.391 -4.121 378 HB2 LYS 50 1HB LYS 50 6.399 -18.831 -2.617 379 HB3 LYS 50 2HB LYS 50 5.253 -18.891 -3.968 380 HG2 LYS 50 1HG LYS 50 6.980 -17.755 -5.404 381 HG3 LYS 50 2HG LYS 50 8.127 -17.926 -4.049 382 HD2 LYS 50 1HD LYS 50 7.779 -20.387 -4.084 383 HD3 LYS 50 2HD LYS 50 6.685 -20.199 -5.475 384 HE2 LYS 50 1HE LYS 50 8.539 -19.181 -6.778 385 HE3 LYS 50 2HE LYS 50 9.622 -19.398 -5.395 386 HZ1 LYS 50 3HZ LYS 50 8.281 -21.607 -6.864 387 HZ2 LYS 50 1HZ LYS 50 9.281 -21.803 -5.586 388 HZ3 LYS 50 2HZ LYS 50 9.858 -21.213 -6.991 389 H ALA 51 H ALA 51 5.221 -17.415 -0.710 390 HA ALA 51 HA ALA 51 2.431 -18.000 -0.633 391 HB1 ALA 51 1HB ALA 51 2.739 -17.833 1.814 392 HB2 ALA 51 2HB ALA 51 4.075 -18.731 1.066 393 HB3 ALA 51 3HB ALA 51 4.313 -17.043 1.580 394 H ASN 52 H ASN 52 4.127 -14.875 -0.472 395 HA ASN 52 HA ASN 52 1.850 -13.381 0.514 396 HB2 ASN 52 1HB ASN 52 4.323 -12.744 0.641 397 HB3 ASN 52 2HB ASN 52 4.227 -12.341 -1.078 398 HD21 ASN 52 1HD2 ASN 52 4.820 -10.192 -0.497 399 HD22 ASN 52 2HD2 ASN 52 3.664 -9.101 0.270 400 H LEU 53 H LEU 53 3.184 -14.012 -2.799 401 HA LEU 53 HA LEU 53 1.036 -12.753 -4.189 402 HB2 LEU 53 1HB LEU 53 3.146 -13.318 -5.286 403 HB3 LEU 53 2HB LEU 53 2.866 -15.038 -5.007 404 HG LEU 53 HG LEU 53 0.876 -14.970 -6.491 405 HD11 LEU 53 1HD1 LEU 53 1.727 -12.108 -7.115 406 HD12 LEU 53 2HD1 LEU 53 0.244 -12.572 -6.252 407 HD13 LEU 53 3HD1 LEU 53 0.455 -13.036 -7.937 408 HD21 LEU 53 3HD2 LEU 53 3.127 -15.517 -7.381 409 HD22 LEU 53 1HD2 LEU 53 3.320 -13.810 -7.846 410 HD23 LEU 53 2HD2 LEU 53 2.047 -14.793 -8.588 411 H ASN 54 H ASN 54 1.313 -16.081 -2.839 412 HA ASN 54 HA ASN 54 -1.104 -17.093 -3.930 413 HB2 ASN 54 1HB ASN 54 0.740 -18.356 -2.686 414 HB3 ASN 54 2HB ASN 54 0.019 -17.787 -1.180 415 HD21 ASN 54 1HD2 ASN 54 -0.283 -20.001 -3.850 416 HD22 ASN 54 2HD2 ASN 54 -1.701 -20.836 -3.234 417 H VAL 55 H VAL 55 -0.629 -15.390 -0.787 418 HA VAL 55 HA VAL 55 -3.427 -15.253 -0.101 419 HB VAL 55 HB VAL 55 -1.047 -13.594 0.771 420 HG11 VAL 55 1HG1 VAL 55 -3.861 -13.655 1.947 421 HG12 VAL 55 2HG1 VAL 55 -2.440 -12.938 2.735 422 HG13 VAL 55 3HG1 VAL 55 -3.042 -12.247 1.231 423 HG21 VAL 55 3HG2 VAL 55 -0.989 -16.006 1.393 424 HG22 VAL 55 1HG2 VAL 55 -1.181 -14.967 2.806 425 HG23 VAL 55 2HG2 VAL 55 -2.584 -15.841 2.148 426 H HIS 56 H HIS 56 -1.372 -13.098 -2.052 427 HA HIS 56 HA HIS 56 -3.370 -11.066 -2.426 428 HB2 HIS 56 1HB HIS 56 -1.000 -10.672 -2.826 429 HB3 HIS 56 2HB HIS 56 -0.983 -11.871 -4.122 430 HD1 HIS 56 1HD HIS 56 -2.699 -8.486 -3.370 431 HD2 HIS 56 2HD HIS 56 -1.685 -11.092 -6.510 432 HE1 HIS 56 1HE HIS 56 -3.451 -7.330 -5.489 433 H LEU 57 H LEU 57 -2.591 -13.957 -4.443 434 HA LEU 57 HA LEU 57 -4.618 -13.532 -6.434 435 HB2 LEU 57 1HB LEU 57 -3.177 -15.951 -5.361 436 HB3 LEU 57 2HB LEU 57 -4.323 -16.094 -6.684 437 HG LEU 57 HG LEU 57 -1.884 -14.266 -6.827 438 HD11 LEU 57 1HD1 LEU 57 -2.218 -17.145 -7.768 439 HD12 LEU 57 2HD1 LEU 57 -1.189 -16.592 -6.428 440 HD13 LEU 57 3HD1 LEU 57 -0.816 -16.093 -8.091 441 HD21 LEU 57 3HD2 LEU 57 -3.753 -15.447 -8.930 442 HD22 LEU 57 1HD2 LEU 57 -2.257 -14.562 -9.269 443 HD23 LEU 57 2HD2 LEU 57 -3.603 -13.729 -8.482 444 H ARG 58 H ARG 58 -4.770 -15.063 -3.236 445 HA ARG 58 HA ARG 58 -7.455 -16.053 -3.419 446 HB2 ARG 58 1HB ARG 58 -5.784 -15.183 -1.052 447 HB3 ARG 58 2HB ARG 58 -7.421 -15.815 -0.873 448 HG2 ARG 58 1HG ARG 58 -6.840 -17.929 -1.857 449 HG3 ARG 58 2HG ARG 58 -5.259 -17.345 -2.370 450 HD2 ARG 58 1HD ARG 58 -4.634 -17.000 0.036 451 HD3 ARG 58 2HD ARG 58 -6.169 -17.725 0.517 452 HE ARG 58 HE ARG 58 -3.797 -19.049 -0.679 453 HH11 ARG 58 2HH1 ARG 58 -7.136 -19.581 0.286 454 HH12 ARG 58 1HH1 ARG 58 -6.966 -21.318 0.205 455 HH21 ARG 58 2HH2 ARG 58 -3.628 -21.196 -0.664 456 HH22 ARG 58 1HH2 ARG 58 -4.995 -22.212 -0.279 457 H LYS 59 H LYS 59 -6.432 -12.744 -3.334 458 HA LYS 59 HA LYS 59 -9.111 -11.719 -2.619 459 HB2 LYS 59 1HB LYS 59 -6.793 -10.209 -3.898 460 HB3 LYS 59 2HB LYS 59 -8.236 -9.537 -3.143 461 HG2 LYS 59 1HG LYS 59 -7.496 -10.616 -0.960 462 HG3 LYS 59 2HG LYS 59 -5.961 -11.014 -1.764 463 HD2 LYS 59 1HD LYS 59 -5.555 -8.617 -2.207 464 HD3 LYS 59 2HD LYS 59 -7.098 -8.208 -1.422 465 HE2 LYS 59 1HE LYS 59 -6.280 -9.292 0.682 466 HE3 LYS 59 2HE LYS 59 -4.726 -9.606 -0.098 467 HZ1 LYS 59 3HZ LYS 59 -5.890 -6.907 0.378 468 HZ2 LYS 59 1HZ LYS 59 -4.452 -7.183 -0.348 469 HZ3 LYS 59 2HZ LYS 59 -4.661 -7.566 1.225 470 H HIS 60 H HIS 60 -7.320 -12.465 -5.574 471 HA HIS 60 HA HIS 60 -9.296 -11.282 -7.376 472 HB2 HIS 60 1HB HIS 60 -6.861 -13.061 -7.806 473 HB3 HIS 60 2HB HIS 60 -7.888 -12.481 -9.107 474 HD1 HIS 60 1HD HIS 60 -8.155 -9.572 -8.986 475 HD2 HIS 60 2HD HIS 60 -4.757 -11.567 -7.505 476 HE1 HIS 60 1HE HIS 60 -6.303 -7.841 -8.976 477 H THR 61 H THR 61 -8.607 -14.573 -6.200 478 HA THR 61 HA THR 61 -10.216 -15.916 -8.137 479 HB THR 61 HB THR 61 -8.292 -16.799 -6.751 480 HG1 THR 61 1HG THR 61 -9.072 -18.862 -6.890 481 HG21 THR 61 3HG2 THR 61 -9.379 -16.183 -4.510 482 HG22 THR 61 1HG2 THR 61 -8.679 -17.810 -4.641 483 HG23 THR 61 2HG2 THR 61 -10.441 -17.581 -4.746 484 H GLY 62 H GLY 62 -11.260 -14.233 -5.323 485 HA2 GLY 62 1HA GLY 62 -13.447 -13.768 -4.645 486 HA3 GLY 62 2HA GLY 62 -14.060 -14.948 -5.796 487 H GLU 63 H GLU 63 -15.499 -15.859 -4.298 488 HA GLU 63 HA GLU 63 -14.814 -16.611 -1.641 489 HB2 GLU 63 1HB GLU 63 -17.083 -16.013 -2.418 490 HB3 GLU 63 2HB GLU 63 -17.154 -17.502 -3.373 491 HG2 GLU 63 1HG GLU 63 -17.038 -18.863 -1.345 492 HG3 GLU 63 2HG GLU 63 -16.737 -17.431 -0.355 493 H LYS 64 H LYS 64 -14.018 -18.297 -0.806 494 HA LYS 64 HA LYS 64 -14.006 -20.947 -2.179 495 HB2 LYS 64 1HB LYS 64 -11.739 -19.862 -0.461 496 HB3 LYS 64 2HB LYS 64 -11.861 -21.492 -1.123 497 HG2 LYS 64 1HG LYS 64 -11.918 -20.364 -3.461 498 HG3 LYS 64 2HG LYS 64 -11.444 -18.885 -2.622 499 HD2 LYS 64 1HD LYS 64 -9.401 -19.794 -3.362 500 HD3 LYS 64 2HD LYS 64 -9.466 -20.236 -1.649 501 HE2 LYS 64 1HE LYS 64 -10.422 -22.491 -2.389 502 HE3 LYS 64 2HE LYS 64 -10.132 -21.992 -4.059 503 HZ1 LYS 64 3HZ LYS 64 -8.299 -23.325 -3.257 504 HZ2 LYS 64 1HZ LYS 64 -8.049 -22.364 -1.977 505 HZ3 LYS 64 2HZ LYS 64 -7.747 -21.802 -3.497 506 H PHE 65 H PHE 65 -14.249 -22.714 -0.906 507 HA PHE 65 HA PHE 65 -15.310 -22.362 1.862 508 HB2 PHE 65 1HB PHE 65 -15.514 -24.733 -0.034 509 HB3 PHE 65 2HB PHE 65 -16.239 -24.607 1.567 510 HD1 PHE 65 1HD PHE 65 -16.452 -23.465 -1.942 511 HD2 PHE 65 2HD PHE 65 -18.195 -23.177 1.991 512 HE1 PHE 65 1HE PHE 65 -18.452 -22.345 -2.909 513 HE2 PHE 65 2HE PHE 65 -20.200 -22.074 1.019 514 HZ PHE 65 HZ PHE 65 -20.332 -21.667 -1.430 515 H ALA 66 H ALA 66 -14.409 -23.652 3.560 516 HA ALA 66 HA ALA 66 -11.622 -24.607 3.040 517 HB1 ALA 66 1HB ALA 66 -11.679 -22.270 3.880 518 HB2 ALA 66 2HB ALA 66 -12.588 -22.818 5.306 519 HB3 ALA 66 3HB ALA 66 -10.926 -23.387 5.038 520 H CYS 67 H CYS 67 -10.864 -26.305 4.126 521 HA CYS 67 HA CYS 67 -12.672 -28.144 5.387 522 HB2 CYS 67 1HB CYS 67 -10.740 -28.666 3.924 523 HB3 CYS 67 2HB CYS 67 -9.641 -28.125 5.200 524 H ASP 68 H ASP 68 -12.804 -28.867 7.433 525 HA ASP 68 HA ASP 68 -12.003 -27.025 9.621 526 HB2 ASP 68 1HB ASP 68 -14.372 -27.829 9.337 527 HB3 ASP 68 2HB ASP 68 -13.814 -29.462 9.694 528 H TYR 69 H TYR 69 -10.794 -29.786 8.112 529 HA TYR 69 HA TYR 69 -9.525 -30.901 10.585 530 HB2 TYR 69 1HB TYR 69 -10.164 -32.238 7.965 531 HB3 TYR 69 2HB TYR 69 -9.537 -33.024 9.405 532 HD1 TYR 69 1HD TYR 69 -11.015 -33.315 11.410 533 HD2 TYR 69 2HD TYR 69 -12.495 -31.701 7.692 534 HE1 TYR 69 1HE TYR 69 -13.354 -33.725 12.158 535 HE2 TYR 69 2HE TYR 69 -14.831 -32.111 8.441 536 HH TYR 69 HH TYR 69 -16.185 -32.831 10.138 537 H CYS 70 H CYS 70 -8.804 -29.517 7.442 538 HA CYS 70 HA CYS 70 -5.937 -29.593 8.022 539 HB2 CYS 70 1HB CYS 70 -5.238 -30.542 5.954 540 HB3 CYS 70 2HB CYS 70 -6.319 -31.665 6.753 541 H SER 71 H SER 71 -4.885 -28.504 5.814 542 HA SER 71 HA SER 71 -5.867 -25.754 5.866 543 HB2 SER 71 1HB SER 71 -3.491 -26.947 4.399 544 HB3 SER 71 2HB SER 71 -3.807 -25.223 4.674 545 HG SER 71 HG SER 71 -2.337 -26.092 6.214 546 H PHE 72 H PHE 72 -6.957 -28.233 3.989 547 HA PHE 72 HA PHE 72 -6.752 -27.312 1.317 548 HB2 PHE 72 1HB PHE 72 -7.319 -29.583 1.929 549 HB3 PHE 72 2HB PHE 72 -8.791 -29.049 2.722 550 HD1 PHE 72 1HD PHE 72 -7.161 -29.535 -0.588 551 HD2 PHE 72 2HD PHE 72 -10.827 -28.675 1.514 552 HE1 PHE 72 1HE PHE 72 -8.462 -30.002 -2.654 553 HE2 PHE 72 2HE PHE 72 -12.123 -29.156 -0.546 554 HZ PHE 72 HZ PHE 72 -10.943 -29.833 -2.628 555 H THR 73 H THR 73 -7.917 -26.030 0.007 556 HA THR 73 HA THR 73 -10.517 -24.942 0.848 557 HB THR 73 HB THR 73 -9.953 -22.662 0.016 558 HG1 THR 73 1HG THR 73 -7.321 -23.701 0.148 559 HG21 THR 73 3HG2 THR 73 -8.210 -23.482 2.372 560 HG22 THR 73 1HG2 THR 73 -9.944 -23.118 2.451 561 HG23 THR 73 2HG2 THR 73 -8.802 -21.851 1.985 562 H CYS 74 H CYS 74 -11.966 -24.646 -0.809 563 HA CYS 74 HA CYS 74 -11.071 -24.961 -3.631 564 HB2 CYS 74 1HB CYS 74 -12.580 -26.831 -4.000 565 HB3 CYS 74 2HB CYS 74 -11.445 -27.232 -2.702 566 HG CYS 74 HG CYS 74 -13.871 -28.202 -2.181 567 H LEU 75 H LEU 75 -12.996 -24.786 -5.178 568 HA LEU 75 HA LEU 75 -14.408 -22.299 -4.483 569 HB2 LEU 75 1HB LEU 75 -13.782 -23.814 -7.020 570 HB3 LEU 75 2HB LEU 75 -15.105 -22.663 -7.015 571 HG LEU 75 HG LEU 75 -13.630 -20.847 -6.281 572 HD11 LEU 75 1HD1 LEU 75 -11.890 -22.068 -5.080 573 HD12 LEU 75 2HD1 LEU 75 -11.171 -21.121 -6.384 574 HD13 LEU 75 3HD1 LEU 75 -11.375 -22.880 -6.578 575 HD21 LEU 75 3HD2 LEU 75 -14.022 -21.263 -8.682 576 HD22 LEU 75 1HD2 LEU 75 -12.610 -22.344 -8.733 577 HD23 LEU 75 2HD2 LEU 75 -12.401 -20.609 -8.395 578 H SER 76 H SER 76 -15.320 -25.564 -4.251 579 HA SER 76 HA SER 76 -18.232 -24.866 -4.379 580 HB2 SER 76 1HB SER 76 -16.906 -27.302 -5.628 581 HB3 SER 76 2HB SER 76 -18.653 -27.023 -5.502 582 HG SER 76 HG SER 76 -17.814 -26.390 -7.547 583 H LYS 77 H LYS 77 -19.260 -25.385 -2.575 584 HA LYS 77 HA LYS 77 -18.098 -26.782 -0.406 585 HB2 LYS 77 1HB LYS 77 -19.970 -25.047 -0.429 586 HB3 LYS 77 2HB LYS 77 -21.080 -26.356 -0.850 587 HG2 LYS 77 1HG LYS 77 -20.456 -27.538 1.255 588 HG3 LYS 77 2HG LYS 77 -19.298 -26.245 1.632 589 HD2 LYS 77 1HD LYS 77 -21.161 -24.605 1.713 590 HD3 LYS 77 2HD LYS 77 -22.317 -25.901 1.334 591 HE2 LYS 77 1HE LYS 77 -21.629 -27.106 3.401 592 HE3 LYS 77 2HE LYS 77 -20.485 -25.812 3.777 593 HZ1 LYS 77 3HZ LYS 77 -23.434 -25.476 3.588 594 HZ2 LYS 77 1HZ LYS 77 -22.377 -24.278 3.936 595 HZ3 LYS 77 2HZ LYS 77 -22.578 -25.519 4.976 596 H GLY 78 H GLY 78 -20.121 -28.063 -3.013 597 HA2 GLY 78 1HA GLY 78 -20.600 -30.681 -1.947 598 HA3 GLY 78 2HA GLY 78 -20.548 -30.242 -3.659 599 H HIS 79 H HIS 79 -17.745 -29.311 -3.642 600 HA HIS 79 HA HIS 79 -16.394 -31.892 -3.785 601 HB2 HIS 79 1HB HIS 79 -15.997 -30.089 -5.439 602 HB3 HIS 79 2HB HIS 79 -15.241 -29.115 -4.172 603 HD1 HIS 79 1HD HIS 79 -12.675 -29.257 -4.673 604 HD2 HIS 79 2HD HIS 79 -14.716 -32.906 -5.113 605 HE1 HIS 79 1HE HIS 79 -10.896 -31.018 -5.150 606 H LEU 80 H LEU 80 -16.446 -29.137 -1.507 607 HA LEU 80 HA LEU 80 -14.369 -30.118 0.197 608 HB2 LEU 80 1HB LEU 80 -15.277 -27.804 0.286 609 HB3 LEU 80 2HB LEU 80 -16.800 -28.431 0.905 610 HG LEU 80 HG LEU 80 -15.642 -29.288 2.928 611 HD11 LEU 80 1HD1 LEU 80 -13.330 -28.522 3.394 612 HD12 LEU 80 2HD1 LEU 80 -13.193 -27.916 1.731 613 HD13 LEU 80 3HD1 LEU 80 -13.369 -29.660 2.061 614 HD21 LEU 80 3HD2 LEU 80 -15.014 -26.368 2.412 615 HD22 LEU 80 1HD2 LEU 80 -15.288 -27.157 3.980 616 HD23 LEU 80 2HD2 LEU 80 -16.628 -26.994 2.837 617 H LYS 81 H LYS 81 -17.912 -30.679 0.257 618 HA LYS 81 HA LYS 81 -18.075 -32.337 2.538 619 HB2 LYS 81 1HB LYS 81 -19.991 -31.371 1.381 620 HB3 LYS 81 2HB LYS 81 -19.664 -32.315 -0.063 621 HG2 LYS 81 1HG LYS 81 -21.575 -33.145 1.218 622 HG3 LYS 81 2HG LYS 81 -20.316 -34.366 1.017 623 HD2 LYS 81 1HD LYS 81 -19.645 -34.211 3.312 624 HD3 LYS 81 2HD LYS 81 -20.504 -32.682 3.543 625 HE2 LYS 81 1HE LYS 81 -21.633 -34.604 4.624 626 HE3 LYS 81 2HE LYS 81 -22.653 -33.748 3.466 627 HZ1 LYS 81 3HZ LYS 81 -22.756 -36.217 3.287 628 HZ2 LYS 81 1HZ LYS 81 -21.193 -36.261 2.794 629 HZ3 LYS 81 2HZ LYS 81 -22.318 -35.512 1.884 630 H VAL 82 H VAL 82 -17.424 -33.359 -0.842 631 HA VAL 82 HA VAL 82 -16.943 -36.103 0.022 632 HB VAL 82 HB VAL 82 -17.939 -35.408 -2.141 633 HG11 VAL 82 1HG1 VAL 82 -16.602 -34.941 -4.054 634 HG12 VAL 82 2HG1 VAL 82 -16.248 -33.739 -2.807 635 HG13 VAL 82 3HG1 VAL 82 -15.104 -35.059 -3.120 636 HG21 VAL 82 3HG2 VAL 82 -15.618 -37.366 -2.320 637 HG22 VAL 82 1HG2 VAL 82 -17.230 -37.727 -1.665 638 HG23 VAL 82 2HG2 VAL 82 -17.042 -37.306 -3.376 639 H HIS 83 H HIS 83 -14.817 -33.315 -0.404 640 HA HIS 83 HA HIS 83 -12.295 -34.743 -0.182 641 HB2 HIS 83 1HB HIS 83 -12.150 -32.431 -0.728 642 HB3 HIS 83 2HB HIS 83 -13.174 -31.955 0.612 643 HD1 HIS 83 1HD HIS 83 -9.538 -32.920 -0.063 644 HD2 HIS 83 2HD HIS 83 -12.087 -31.691 3.039 645 HE1 HIS 83 1HE HIS 83 -8.027 -32.378 1.899 646 H ILE 84 H ILE 84 -14.552 -33.509 2.336 647 HA ILE 84 HA ILE 84 -13.028 -34.451 4.552 648 HB ILE 84 HB ILE 84 -15.987 -33.866 4.259 649 HG12 ILE 84 1HG1 ILE 84 -13.810 -32.277 5.698 650 HG13 ILE 84 2HG1 ILE 84 -14.208 -31.998 4.013 651 HG21 ILE 84 1HG2 ILE 84 -15.734 -35.416 6.142 652 HG22 ILE 84 2HG2 ILE 84 -14.392 -34.444 6.801 653 HG23 ILE 84 3HG2 ILE 84 -16.052 -33.809 6.763 654 HD11 ILE 84 3HD1 ILE 84 -15.351 -30.365 5.348 655 HD12 ILE 84 1HD1 ILE 84 -16.549 -31.453 4.622 656 HD13 ILE 84 2HD1 ILE 84 -16.119 -31.611 6.342 657 H GLU 85 H GLU 85 -15.673 -36.109 2.770 658 HA GLU 85 HA GLU 85 -15.492 -38.503 4.320 659 HB2 GLU 85 1HB GLU 85 -16.595 -37.938 1.552 660 HB3 GLU 85 2HB GLU 85 -16.666 -39.537 2.312 661 HG2 GLU 85 1HG GLU 85 -17.870 -38.599 4.255 662 HG3 GLU 85 2HG GLU 85 -17.806 -36.989 3.539 663 H ARG 86 H ARG 86 -13.718 -37.585 1.356 664 HA ARG 86 HA ARG 86 -12.443 -40.174 0.966 665 HB2 ARG 86 1HB ARG 86 -11.875 -37.386 -0.057 666 HB3 ARG 86 2HB ARG 86 -10.876 -38.778 -0.478 667 HG2 ARG 86 1HG ARG 86 -12.760 -39.966 -1.452 668 HG3 ARG 86 2HG ARG 86 -13.881 -38.677 -1.011 669 HD2 ARG 86 1HD ARG 86 -11.474 -38.404 -2.847 670 HD3 ARG 86 2HD ARG 86 -13.158 -38.574 -3.387 671 HE ARG 86 HE ARG 86 -13.180 -36.395 -1.664 672 HH11 ARG 86 2HH1 ARG 86 -11.598 -37.060 -4.727 673 HH12 ARG 86 1HH1 ARG 86 -11.495 -35.369 -5.145 674 HH21 ARG 86 2HH2 ARG 86 -12.997 -34.213 -2.303 675 HH22 ARG 86 1HH2 ARG 86 -12.316 -33.842 -3.855 676 H VAL 87 H VAL 87 -11.368 -37.183 2.586 677 HA VAL 87 HA VAL 87 -8.716 -38.416 3.096 678 HB VAL 87 HB VAL 87 -9.586 -35.528 3.411 679 HG11 VAL 87 1HG1 VAL 87 -6.814 -36.796 3.254 680 HG12 VAL 87 2HG1 VAL 87 -7.157 -35.053 3.285 681 HG13 VAL 87 3HG1 VAL 87 -7.531 -36.045 4.691 682 HG21 VAL 87 3HG2 VAL 87 -9.774 -36.184 1.041 683 HG22 VAL 87 1HG2 VAL 87 -8.340 -35.188 1.262 684 HG23 VAL 87 2HG2 VAL 87 -8.172 -36.948 1.102 685 H HIS 88 H HIS 88 -11.472 -37.196 5.012 686 HA HIS 88 HA HIS 88 -9.840 -37.608 7.489 687 HB2 HIS 88 1HB HIS 88 -12.154 -35.714 7.012 688 HB3 HIS 88 2HB HIS 88 -11.156 -35.821 8.461 689 HD1 HIS 88 1HD HIS 88 -8.298 -35.485 7.669 690 HD2 HIS 88 2HD HIS 88 -11.452 -33.695 5.560 691 HE1 HIS 88 1HE HIS 88 -7.267 -33.547 6.390 692 H LYS 89 H LYS 89 -12.714 -38.831 5.978 693 HA LYS 89 HA LYS 89 -13.635 -39.988 8.586 694 HB2 LYS 89 1HB LYS 89 -15.211 -39.711 6.022 695 HB3 LYS 89 2HB LYS 89 -15.827 -40.241 7.575 696 HG2 LYS 89 1HG LYS 89 -14.766 -37.444 7.002 697 HG3 LYS 89 2HG LYS 89 -16.463 -37.915 7.071 698 HD2 LYS 89 1HD LYS 89 -16.230 -38.526 9.444 699 HD3 LYS 89 2HD LYS 89 -14.500 -38.123 9.397 700 HE2 LYS 89 1HE LYS 89 -15.038 -35.788 8.805 701 HE3 LYS 89 2HE LYS 89 -16.766 -36.161 8.862 702 HZ1 LYS 89 3HZ LYS 89 -16.539 -36.655 11.217 703 HZ2 LYS 89 1HZ LYS 89 -15.919 -35.163 10.940 704 HZ3 LYS 89 2HZ LYS 89 -14.918 -36.430 11.177 705 H LYS 90 H LYS 90 -11.562 -41.063 6.510 706 HA LYS 90 HA LYS 90 -12.267 -43.874 7.079 707 HB2 LYS 90 1HB LYS 90 -11.760 -44.681 4.867 708 HB3 LYS 90 2HB LYS 90 -13.099 -43.544 4.792 709 HG2 LYS 90 1HG LYS 90 -11.619 -41.773 3.953 710 HG3 LYS 90 2HG LYS 90 -10.209 -42.827 4.091 711 HD2 LYS 90 1HD LYS 90 -12.606 -43.380 2.290 712 HD3 LYS 90 2HD LYS 90 -11.096 -42.618 1.769 713 HE2 LYS 90 1HE LYS 90 -9.826 -44.643 2.496 714 HE3 LYS 90 2HE LYS 90 -11.350 -45.430 2.926 715 HZ1 LYS 90 3HZ LYS 90 -10.618 -44.522 0.194 716 HZ2 LYS 90 1HZ LYS 90 -12.030 -45.244 0.593 717 HZ3 LYS 90 2HZ LYS 90 -10.629 -46.071 0.704 718 H ILE 91 H ILE 91 -10.483 -45.359 6.827 719 HA ILE 91 HA ILE 91 -7.933 -44.213 7.758 720 HB ILE 91 HB ILE 91 -7.305 -46.504 8.274 721 HG12 ILE 91 1HG1 ILE 91 -10.097 -47.334 7.354 722 HG13 ILE 91 2HG1 ILE 91 -8.604 -47.657 6.469 723 HG21 ILE 91 1HG2 ILE 91 -10.045 -45.816 9.415 724 HG22 ILE 91 2HG2 ILE 91 -8.752 -46.746 10.195 725 HG23 ILE 91 3HG2 ILE 91 -8.525 -45.025 9.884 726 HD11 ILE 91 3HD1 ILE 91 -7.744 -48.946 8.431 727 HD12 ILE 91 1HD1 ILE 91 -9.332 -48.741 9.213 728 HD13 ILE 91 2HD1 ILE 91 -9.204 -49.637 7.691 729 H LYS 92 H LYS 92 -5.930 -45.093 6.969 730 HA LYS 92 HA LYS 92 -5.675 -44.975 4.048 731 HB2 LYS 92 1HB LYS 92 -4.101 -43.785 5.557 732 HB3 LYS 92 2HB LYS 92 -3.613 -45.318 6.265 733 HG2 LYS 92 1HG LYS 92 -1.943 -44.534 4.684 734 HG3 LYS 92 2HG LYS 92 -2.633 -46.060 4.153 735 HD2 LYS 92 1HD LYS 92 -2.282 -44.556 2.270 736 HD3 LYS 92 2HD LYS 92 -4.005 -44.883 2.465 737 HE2 LYS 92 1HE LYS 92 -4.299 -42.702 3.615 738 HE3 LYS 92 2HE LYS 92 -2.563 -42.394 3.489 739 HZ1 LYS 92 3HZ LYS 92 -2.802 -42.406 1.065 740 HZ2 LYS 92 1HZ LYS 92 -3.793 -41.285 1.712 741 HZ3 LYS 92 2HZ LYS 92 -4.406 -42.698 1.176 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -7.057 33.669 -15.900 2 H2 GLY 1 2H GLY 1 -6.708 34.460 -14.510 3 H3 GLY 1 3H GLY 1 -7.517 35.231 -15.708 4 HA2 GLY 1 1HA GLY 1 -9.035 34.630 -13.937 5 HA3 GLY 1 2HA GLY 1 -9.424 33.800 -15.455 6 H SER 2 H SER 2 -10.035 33.006 -12.691 7 HA SER 2 HA SER 2 -8.269 30.855 -11.905 8 HB2 SER 2 1HB SER 2 -11.002 31.607 -10.822 9 HB3 SER 2 2HB SER 2 -9.791 30.575 -10.035 10 HG SER 2 HG SER 2 -9.721 32.742 -9.265 11 H SER 3 H SER 3 -9.130 30.255 -14.486 12 HA SER 3 HA SER 3 -11.438 28.549 -14.580 13 HB2 SER 3 1HB SER 3 -9.142 28.765 -16.558 14 HB3 SER 3 2HB SER 3 -10.767 28.130 -16.878 15 HG SER 3 HG SER 3 -10.565 30.308 -17.556 16 H GLY 4 H GLY 4 -8.230 27.826 -13.550 17 HA2 GLY 4 1HA GLY 4 -8.805 25.140 -12.837 18 HA3 GLY 4 2HA GLY 4 -7.887 25.119 -14.346 19 H SER 5 H SER 5 -6.746 23.886 -12.284 20 HA SER 5 HA SER 5 -4.913 25.628 -10.793 21 HB2 SER 5 1HB SER 5 -4.097 23.484 -9.840 22 HB3 SER 5 2HB SER 5 -5.832 23.760 -9.623 23 HG SER 5 HG SER 5 -5.373 21.617 -10.318 24 H SER 6 H SER 6 -2.612 25.400 -10.818 25 HA SER 6 HA SER 6 -1.457 25.419 -13.452 26 HB2 SER 6 1HB SER 6 -0.090 25.408 -10.737 27 HB3 SER 6 2HB SER 6 0.658 25.831 -12.289 28 HG SER 6 HG SER 6 -0.040 27.690 -11.122 29 H GLY 7 H GLY 7 0.056 24.063 -14.412 30 HA2 GLY 7 1HA GLY 7 -0.077 21.219 -13.854 31 HA3 GLY 7 2HA GLY 7 0.919 22.012 -15.069 32 H LYS 8 H LYS 8 1.776 19.836 -13.557 33 HA LYS 8 HA LYS 8 4.216 20.912 -12.289 34 HB2 LYS 8 1HB LYS 8 2.605 20.626 -10.427 35 HB3 LYS 8 2HB LYS 8 2.342 18.940 -10.889 36 HG2 LYS 8 1HG LYS 8 4.626 18.356 -10.299 37 HG3 LYS 8 2HG LYS 8 5.050 20.064 -10.055 38 HD2 LYS 8 1HD LYS 8 3.561 20.195 -8.112 39 HD3 LYS 8 2HD LYS 8 2.941 18.573 -8.437 40 HE2 LYS 8 1HE LYS 8 4.507 18.400 -6.629 41 HE3 LYS 8 2HE LYS 8 5.201 17.614 -8.049 42 HZ1 LYS 8 3HZ LYS 8 5.890 20.358 -7.127 43 HZ2 LYS 8 1HZ LYS 8 6.576 19.589 -8.400 44 HZ3 LYS 8 2HZ LYS 8 6.811 19.035 -6.886 45 H ILE 9 H ILE 9 5.928 19.470 -12.192 46 HA ILE 9 HA ILE 9 5.792 17.120 -14.038 47 HB ILE 9 HB ILE 9 8.047 19.142 -13.735 48 HG12 ILE 9 1HG1 ILE 9 6.136 18.668 -16.075 49 HG13 ILE 9 2HG1 ILE 9 6.048 20.036 -14.971 50 HG21 ILE 9 1HG2 ILE 9 8.919 16.903 -14.198 51 HG22 ILE 9 2HG2 ILE 9 7.776 16.718 -15.556 52 HG23 ILE 9 3HG2 ILE 9 9.094 17.910 -15.614 53 HD11 ILE 9 3HD1 ILE 9 8.278 19.510 -16.948 54 HD12 ILE 9 1HD1 ILE 9 7.086 20.817 -16.942 55 HD13 ILE 9 2HD1 ILE 9 8.324 20.759 -15.674 56 H PHE 10 H PHE 10 6.884 15.298 -13.438 57 HA PHE 10 HA PHE 10 7.925 15.161 -10.632 58 HB2 PHE 10 1HB PHE 10 6.134 13.199 -12.118 59 HB3 PHE 10 2HB PHE 10 6.750 13.005 -10.488 60 HD1 PHE 10 1HD PHE 10 4.384 14.918 -12.614 61 HD2 PHE 10 2HD PHE 10 5.775 14.194 -8.598 62 HE1 PHE 10 1HE PHE 10 2.415 16.137 -11.715 63 HE2 PHE 10 2HE PHE 10 3.797 15.399 -7.699 64 HZ PHE 10 HZ PHE 10 2.111 16.362 -9.252 65 H THR 11 H THR 11 9.835 14.036 -10.348 66 HA THR 11 HA THR 11 11.047 12.753 -12.765 67 HB THR 11 HB THR 11 12.420 14.622 -10.811 68 HG1 THR 11 1HG THR 11 12.330 16.099 -12.489 69 HG21 THR 11 3HG2 THR 11 13.988 13.072 -11.906 70 HG22 THR 11 1HG2 THR 11 14.180 14.703 -12.561 71 HG23 THR 11 2HG2 THR 11 13.298 13.476 -13.496 72 H CYS 12 H CYS 12 12.146 10.921 -12.511 73 HA CYS 12 HA CYS 12 12.134 9.474 -9.990 74 HB2 CYS 12 1HB CYS 12 11.743 8.393 -12.127 75 HB3 CYS 12 2HB CYS 12 13.342 8.903 -12.716 76 H GLU 13 H GLU 13 13.667 9.384 -8.490 77 HA GLU 13 HA GLU 13 16.147 10.931 -8.783 78 HB2 GLU 13 1HB GLU 13 16.466 10.582 -6.440 79 HB3 GLU 13 2HB GLU 13 14.802 11.079 -6.737 80 HG2 GLU 13 1HG GLU 13 14.074 8.690 -6.529 81 HG3 GLU 13 2HG GLU 13 15.746 8.229 -6.184 82 H TYR 14 H TYR 14 15.327 7.761 -9.567 83 HA TYR 14 HA TYR 14 18.019 6.645 -8.911 84 HB2 TYR 14 1HB TYR 14 15.443 5.300 -9.734 85 HB3 TYR 14 2HB TYR 14 16.942 4.476 -9.348 86 HD1 TYR 14 2HD TYR 14 17.847 4.526 -7.000 87 HD2 TYR 14 1HD TYR 14 13.932 6.037 -8.010 88 HE1 TYR 14 2HE TYR 14 17.163 4.368 -4.605 89 HE2 TYR 14 1HE TYR 14 13.255 5.878 -5.616 90 HH TYR 14 HH TYR 14 13.888 5.304 -3.490 91 H CYS 15 H CYS 15 15.933 7.333 -11.716 92 HA CYS 15 HA CYS 15 18.242 6.722 -13.480 93 HB2 CYS 15 1HB CYS 15 16.912 5.570 -15.073 94 HB3 CYS 15 2HB CYS 15 16.812 4.771 -13.506 95 H ASN 16 H ASN 16 16.519 9.207 -12.490 96 HA ASN 16 HA ASN 16 16.071 11.269 -13.193 97 HB2 ASN 16 1HB ASN 16 18.559 10.980 -13.620 98 HB3 ASN 16 2HB ASN 16 18.163 10.831 -15.331 99 HD21 ASN 16 1HD2 ASN 16 19.417 12.747 -15.775 100 HD22 ASN 16 2HD2 ASN 16 18.805 14.332 -15.326 101 H LYS 17 H LYS 17 14.508 9.086 -14.605 102 HA LYS 17 HA LYS 17 13.553 10.276 -17.086 103 HB2 LYS 17 1HB LYS 17 12.457 8.181 -15.181 104 HB3 LYS 17 2HB LYS 17 11.554 8.729 -16.608 105 HG2 LYS 17 1HG LYS 17 13.359 7.998 -18.095 106 HG3 LYS 17 2HG LYS 17 14.343 7.544 -16.689 107 HD2 LYS 17 1HD LYS 17 12.436 5.983 -15.997 108 HD3 LYS 17 2HD LYS 17 11.650 6.355 -17.526 109 HE2 LYS 17 1HE LYS 17 12.822 4.220 -17.572 110 HE3 LYS 17 2HE LYS 17 13.472 5.340 -18.777 111 HZ1 LYS 17 3HZ LYS 17 15.377 5.715 -17.418 112 HZ2 LYS 17 1HZ LYS 17 15.183 4.093 -17.400 113 HZ3 LYS 17 2HZ LYS 17 14.736 5.013 -16.103 114 H VAL 18 H VAL 18 11.638 11.301 -17.457 115 HA VAL 18 HA VAL 18 10.516 12.904 -15.187 116 HB VAL 18 HB VAL 18 10.962 13.830 -18.046 117 HG11 VAL 18 1HG1 VAL 18 10.378 16.069 -17.095 118 HG12 VAL 18 2HG1 VAL 18 9.021 14.949 -17.019 119 HG13 VAL 18 3HG1 VAL 18 9.977 15.282 -15.555 120 HG21 VAL 18 3HG2 VAL 18 12.410 14.587 -15.467 121 HG22 VAL 18 1HG2 VAL 18 13.114 13.682 -16.827 122 HG23 VAL 18 2HG2 VAL 18 12.636 15.365 -17.047 123 H PHE 19 H PHE 19 8.400 13.065 -14.974 124 HA PHE 19 HA PHE 19 6.548 11.767 -16.918 125 HB2 PHE 19 1HB PHE 19 6.568 11.455 -13.888 126 HB3 PHE 19 2HB PHE 19 5.417 10.732 -14.999 127 HD1 PHE 19 2HD PHE 19 6.070 8.816 -16.448 128 HD2 PHE 19 1HD PHE 19 8.841 10.559 -13.645 129 HE1 PHE 19 2HE PHE 19 7.596 6.879 -16.750 130 HE2 PHE 19 1HE PHE 19 10.359 8.619 -13.940 131 HZ PHE 19 HZ PHE 19 9.765 6.789 -15.530 132 H LYS 20 H LYS 20 4.478 12.615 -17.026 133 HA LYS 20 HA LYS 20 4.212 15.432 -16.255 134 HB2 LYS 20 1HB LYS 20 2.464 13.559 -17.887 135 HB3 LYS 20 2HB LYS 20 2.083 15.257 -17.577 136 HG2 LYS 20 1HG LYS 20 4.225 15.955 -18.625 137 HG3 LYS 20 2HG LYS 20 4.622 14.262 -18.945 138 HD2 LYS 20 1HD LYS 20 3.790 15.241 -20.963 139 HD3 LYS 20 2HD LYS 20 2.605 14.061 -20.379 140 HE2 LYS 20 1HE LYS 20 1.225 15.898 -19.445 141 HE3 LYS 20 2HE LYS 20 2.437 17.082 -19.952 142 HZ1 LYS 20 3HZ LYS 20 0.880 15.346 -21.797 143 HZ2 LYS 20 1HZ LYS 20 1.995 16.444 -22.262 144 HZ3 LYS 20 2HZ LYS 20 0.614 16.937 -21.550 145 H PHE 21 H PHE 21 3.274 12.558 -14.695 146 HA PHE 21 HA PHE 21 1.365 14.019 -12.943 147 HB2 PHE 21 1HB PHE 21 0.789 11.296 -14.161 148 HB3 PHE 21 2HB PHE 21 -0.244 12.211 -13.075 149 HD1 PHE 21 2HD PHE 21 -1.221 14.450 -13.880 150 HD2 PHE 21 1HD PHE 21 0.660 11.611 -16.528 151 HE1 PHE 21 2HE PHE 21 -2.312 15.540 -15.829 152 HE2 PHE 21 1HE PHE 21 -0.431 12.705 -18.474 153 HZ PHE 21 HZ PHE 21 -1.916 14.672 -18.127 154 H LYS 22 H LYS 22 1.121 13.209 -10.872 155 HA LYS 22 HA LYS 22 3.422 12.085 -9.655 156 HB2 LYS 22 1HB LYS 22 1.632 13.618 -8.661 157 HB3 LYS 22 2HB LYS 22 0.615 12.193 -8.459 158 HG2 LYS 22 1HG LYS 22 2.344 11.169 -6.995 159 HG3 LYS 22 2HG LYS 22 3.405 12.567 -7.268 160 HD2 LYS 22 1HD LYS 22 1.665 14.055 -6.256 161 HD3 LYS 22 2HD LYS 22 0.660 12.625 -5.929 162 HE2 LYS 22 1HE LYS 22 2.498 11.678 -4.534 163 HE3 LYS 22 2HE LYS 22 3.477 13.117 -4.857 164 HZ1 LYS 22 3HZ LYS 22 1.765 14.448 -3.735 165 HZ2 LYS 22 1HZ LYS 22 2.320 13.293 -2.727 166 HZ3 LYS 22 2HZ LYS 22 0.863 13.118 -3.437 167 H HIS 23 H HIS 23 0.303 10.534 -10.435 168 HA HIS 23 HA HIS 23 0.914 7.996 -9.280 169 HB2 HIS 23 1HB HIS 23 -0.970 7.148 -10.519 170 HB3 HIS 23 2HB HIS 23 -1.364 8.708 -9.813 171 HD1 HIS 23 1HD HIS 23 -0.746 7.090 -13.265 172 HD2 HIS 23 2HD HIS 23 -1.944 10.714 -11.499 173 HE1 HIS 23 1HE HIS 23 -1.645 8.540 -15.154 174 H SER 24 H SER 24 1.584 9.273 -12.561 175 HA SER 24 HA SER 24 2.578 6.851 -13.685 176 HB2 SER 24 1HB SER 24 3.391 9.709 -14.322 177 HB3 SER 24 2HB SER 24 3.718 8.278 -15.318 178 HG SER 24 HG SER 24 1.850 9.252 -16.079 179 H LEU 25 H LEU 25 4.345 9.428 -11.864 180 HA LEU 25 HA LEU 25 6.863 8.017 -11.953 181 HB2 LEU 25 1HB LEU 25 6.804 10.406 -11.507 182 HB3 LEU 25 2HB LEU 25 5.811 10.161 -10.067 183 HG LEU 25 HG LEU 25 7.669 8.945 -8.966 184 HD11 LEU 25 1HD1 LEU 25 9.932 8.976 -9.912 185 HD12 LEU 25 2HD1 LEU 25 9.324 9.705 -11.413 186 HD13 LEU 25 3HD1 LEU 25 8.860 8.050 -10.956 187 HD21 LEU 25 3HD2 LEU 25 9.132 10.837 -8.576 188 HD22 LEU 25 1HD2 LEU 25 7.450 11.386 -8.679 189 HD23 LEU 25 2HD2 LEU 25 8.558 11.625 -10.055 190 H GLN 26 H GLN 26 4.232 8.070 -9.455 191 HA GLN 26 HA GLN 26 5.545 6.344 -7.614 192 HB2 GLN 26 1HB GLN 26 2.621 6.907 -8.202 193 HB3 GLN 26 2HB GLN 26 3.096 5.787 -6.939 194 HG2 GLN 26 1HG GLN 26 4.005 8.704 -7.090 195 HG3 GLN 26 2HG GLN 26 2.651 8.130 -6.126 196 HE21 GLN 26 1HE2 GLN 26 4.790 9.520 -4.926 197 HE22 GLN 26 2HE2 GLN 26 5.656 8.382 -3.904 198 H ALA 27 H ALA 27 3.481 5.459 -10.413 199 HA ALA 27 HA ALA 27 3.676 2.632 -9.904 200 HB1 ALA 27 1HB ALA 27 2.957 4.162 -12.425 201 HB2 ALA 27 2HB ALA 27 2.650 2.435 -12.114 202 HB3 ALA 27 3HB ALA 27 1.835 3.675 -11.129 203 H HIS 28 H HIS 28 5.735 4.899 -11.704 204 HA HIS 28 HA HIS 28 7.419 2.886 -12.933 205 HB2 HIS 28 1HB HIS 28 7.373 5.078 -13.885 206 HB3 HIS 28 2HB HIS 28 7.748 5.847 -12.347 207 HD1 HIS 28 1HD HIS 28 9.516 3.488 -14.860 208 HD2 HIS 28 2HD HIS 28 10.254 6.217 -11.749 209 HE1 HIS 28 1HE HIS 28 12.036 3.716 -14.727 210 H LEU 29 H LEU 29 7.649 4.759 -9.870 211 HA LEU 29 HA LEU 29 10.194 3.892 -9.055 212 HB2 LEU 29 1HB LEU 29 7.737 4.785 -7.514 213 HB3 LEU 29 2HB LEU 29 9.243 4.403 -6.693 214 HG LEU 29 HG LEU 29 9.064 6.515 -8.882 215 HD11 LEU 29 1HD1 LEU 29 9.012 6.835 -5.851 216 HD12 LEU 29 2HD1 LEU 29 7.656 7.147 -6.956 217 HD13 LEU 29 3HD1 LEU 29 9.109 8.155 -7.038 218 HD21 LEU 29 3HD2 LEU 29 11.186 5.909 -6.791 219 HD22 LEU 29 1HD2 LEU 29 11.185 7.314 -7.880 220 HD23 LEU 29 2HD2 LEU 29 11.346 5.694 -8.547 221 H ARG 30 H ARG 30 7.281 1.993 -9.025 222 HA ARG 30 HA ARG 30 7.816 -0.073 -7.187 223 HB2 ARG 30 1HB ARG 30 6.654 -0.079 -9.995 224 HB3 ARG 30 2HB ARG 30 6.681 -1.529 -8.995 225 HG2 ARG 30 1HG ARG 30 5.258 -0.592 -7.338 226 HG3 ARG 30 2HG ARG 30 5.392 1.035 -8.002 227 HD2 ARG 30 1HD ARG 30 3.208 -0.094 -8.461 228 HD3 ARG 30 2HD ARG 30 4.025 0.525 -9.878 229 HE ARG 30 HE ARG 30 3.588 -2.316 -9.177 230 HH11 ARG 30 2HH1 ARG 30 5.024 -0.093 -11.530 231 HH12 ARG 30 1HH1 ARG 30 5.047 -1.329 -12.760 232 HH21 ARG 30 2HH2 ARG 30 3.603 -3.759 -10.801 233 HH22 ARG 30 1HH2 ARG 30 4.329 -3.365 -12.345 234 H ILE 31 H ILE 31 9.582 0.499 -10.246 235 HA ILE 31 HA ILE 31 10.829 -2.136 -10.163 236 HB ILE 31 HB ILE 31 12.021 -1.558 -12.033 237 HG12 ILE 31 1HG1 ILE 31 11.388 1.377 -11.615 238 HG13 ILE 31 2HG1 ILE 31 12.954 0.589 -11.490 239 HG21 ILE 31 1HG2 ILE 31 10.275 -1.097 -13.611 240 HG22 ILE 31 2HG2 ILE 31 9.540 -1.939 -12.247 241 HG23 ILE 31 3HG2 ILE 31 9.340 -0.179 -12.415 242 HD11 ILE 31 3HD1 ILE 31 11.340 0.967 -14.023 243 HD12 ILE 31 1HD1 ILE 31 12.902 1.691 -13.593 244 HD13 ILE 31 2HD1 ILE 31 12.796 -0.055 -13.905 245 H HIS 32 H HIS 32 11.595 0.935 -8.759 246 HA HIS 32 HA HIS 32 14.455 0.280 -8.360 247 HB2 HIS 32 1HB HIS 32 12.852 2.785 -7.745 248 HB3 HIS 32 2HB HIS 32 14.591 2.606 -7.548 249 HD1 HIS 32 1HD HIS 32 15.800 1.769 -10.119 250 HD2 HIS 32 2HD HIS 32 12.297 4.069 -9.900 251 HE1 HIS 32 1HE HIS 32 15.663 3.028 -12.323 252 H THR 33 H THR 33 11.501 0.304 -6.446 253 HA THR 33 HA THR 33 12.832 0.386 -3.860 254 HB THR 33 HB THR 33 10.538 -0.108 -2.984 255 HG1 THR 33 1HG THR 33 8.873 0.137 -4.591 256 HG21 THR 33 3HG2 THR 33 9.578 2.045 -3.613 257 HG22 THR 33 1HG2 THR 33 10.682 2.176 -4.999 258 HG23 THR 33 2HG2 THR 33 11.320 2.215 -3.341 259 H ASN 34 H ASN 34 14.236 -1.426 -4.945 260 HA ASN 34 HA ASN 34 15.095 -3.474 -4.976 261 HB2 ASN 34 1HB ASN 34 14.577 -3.317 -2.491 262 HB3 ASN 34 2HB ASN 34 13.170 -4.333 -2.800 263 HD21 ASN 34 1HD2 ASN 34 14.379 -5.680 -1.142 264 HD22 ASN 34 2HD2 ASN 34 15.585 -6.791 -1.773 265 H GLU 35 H GLU 35 14.792 -5.754 -5.578 266 HA GLU 35 HA GLU 35 12.988 -5.882 -7.844 267 HB2 GLU 35 1HB GLU 35 14.898 -7.940 -6.670 268 HB3 GLU 35 2HB GLU 35 14.010 -8.127 -8.189 269 HG2 GLU 35 1HG GLU 35 15.111 -6.071 -9.077 270 HG3 GLU 35 2HG GLU 35 16.060 -5.949 -7.593 271 H LYS 36 H LYS 36 11.329 -7.282 -8.291 272 HA LYS 36 HA LYS 36 9.967 -8.676 -6.009 273 HB2 LYS 36 1HB LYS 36 8.685 -6.710 -7.932 274 HB3 LYS 36 2HB LYS 36 7.871 -7.652 -6.667 275 HG2 LYS 36 1HG LYS 36 9.159 -6.492 -4.924 276 HG3 LYS 36 2HG LYS 36 10.034 -5.584 -6.168 277 HD2 LYS 36 1HD LYS 36 7.829 -4.629 -6.958 278 HD3 LYS 36 2HD LYS 36 7.063 -5.411 -5.567 279 HE2 LYS 36 1HE LYS 36 7.500 -3.112 -4.993 280 HE3 LYS 36 2HE LYS 36 8.584 -4.135 -4.042 281 HZ1 LYS 36 3HZ LYS 36 9.713 -2.195 -5.041 282 HZ2 LYS 36 1HZ LYS 36 9.370 -2.715 -6.545 283 HZ3 LYS 36 2HZ LYS 36 10.381 -3.582 -5.585 284 HA PRO 37 HA PRO 37 10.425 -11.293 -9.812 285 HB2 PRO 37 1HB PRO 37 10.715 -13.730 -8.494 286 HB3 PRO 37 2HB PRO 37 12.024 -12.587 -8.870 287 HG2 PRO 37 1HG PRO 37 10.503 -12.876 -6.273 288 HG3 PRO 37 2HG PRO 37 12.276 -12.743 -6.508 289 HD2 PRO 37 1HD PRO 37 10.796 -10.594 -5.819 290 HD3 PRO 37 2HD PRO 37 12.116 -10.423 -6.999 291 H TYR 38 H TYR 38 8.330 -11.934 -7.010 292 HA TYR 38 HA TYR 38 6.617 -13.744 -8.565 293 HB2 TYR 38 1HB TYR 38 6.532 -12.866 -5.668 294 HB3 TYR 38 2HB TYR 38 5.415 -14.008 -6.393 295 HD1 TYR 38 1HD TYR 38 6.380 -16.116 -7.559 296 HD2 TYR 38 2HD TYR 38 8.625 -13.629 -4.858 297 HE1 TYR 38 1HE TYR 38 8.033 -17.956 -7.233 298 HE2 TYR 38 2HE TYR 38 10.259 -15.474 -4.496 299 HH TYR 38 HH TYR 38 10.856 -17.622 -5.051 300 H LYS 39 H LYS 39 5.810 -12.423 -10.137 301 HA LYS 39 HA LYS 39 4.240 -10.006 -9.490 302 HB2 LYS 39 1HB LYS 39 5.096 -11.291 -12.103 303 HB3 LYS 39 2HB LYS 39 4.118 -9.820 -11.998 304 HG2 LYS 39 1HG LYS 39 5.863 -8.608 -10.873 305 HG3 LYS 39 2HG LYS 39 6.830 -10.069 -10.641 306 HD2 LYS 39 1HD LYS 39 7.106 -10.275 -13.095 307 HD3 LYS 39 2HD LYS 39 6.182 -8.770 -13.319 308 HE2 LYS 39 1HE LYS 39 7.850 -7.543 -11.951 309 HE3 LYS 39 2HE LYS 39 8.751 -9.039 -11.683 310 HZ1 LYS 39 3HZ LYS 39 9.718 -7.736 -13.493 311 HZ2 LYS 39 1HZ LYS 39 8.322 -7.765 -14.338 312 HZ3 LYS 39 2HZ LYS 39 9.158 -9.148 -14.088 313 H CYS 40 H CYS 40 2.126 -9.675 -9.830 314 HA CYS 40 HA CYS 40 0.294 -11.929 -9.894 315 HB2 CYS 40 1HB CYS 40 -0.062 -9.932 -8.546 316 HB3 CYS 40 2HB CYS 40 -0.152 -8.933 -10.013 317 HA PRO 41 HA PRO 41 -0.164 -11.670 -14.429 318 HB2 PRO 41 1HB PRO 41 -1.933 -13.688 -14.822 319 HB3 PRO 41 2HB PRO 41 -0.235 -13.992 -14.350 320 HG2 PRO 41 1HG PRO 41 -2.684 -13.947 -12.573 321 HG3 PRO 41 2HG PRO 41 -1.361 -15.150 -12.607 322 HD2 PRO 41 1HD PRO 41 -1.486 -13.011 -10.837 323 HD3 PRO 41 2HD PRO 41 0.049 -13.768 -11.364 324 H GLN 42 H GLN 42 -2.427 -10.852 -11.980 325 HA GLN 42 HA GLN 42 -4.514 -10.074 -13.969 326 HB2 GLN 42 1HB GLN 42 -4.842 -10.806 -11.038 327 HB3 GLN 42 2HB GLN 42 -6.114 -10.290 -12.135 328 HG2 GLN 42 1HG GLN 42 -5.157 -12.319 -13.622 329 HG3 GLN 42 2HG GLN 42 -4.601 -12.884 -12.056 330 HE21 GLN 42 1HE2 GLN 42 -6.291 -13.246 -10.346 331 HE22 GLN 42 2HE2 GLN 42 -7.902 -13.678 -10.894 332 H CYS 43 H CYS 43 -2.435 -8.642 -11.488 333 HA CYS 43 HA CYS 43 -3.373 -6.034 -12.496 334 HB2 CYS 43 1HB CYS 43 -3.690 -5.088 -10.298 335 HB3 CYS 43 2HB CYS 43 -4.757 -6.465 -10.515 336 H SER 44 H SER 44 -1.904 -4.340 -10.970 337 HA SER 44 HA SER 44 0.772 -4.680 -12.058 338 HB2 SER 44 1HB SER 44 1.139 -2.416 -11.120 339 HB3 SER 44 2HB SER 44 -0.303 -2.522 -12.142 340 HG SER 44 HG SER 44 -0.715 -1.390 -10.181 341 H TYR 45 H TYR 45 -0.510 -5.959 -9.277 342 HA TYR 45 HA TYR 45 1.376 -5.421 -7.253 343 HB2 TYR 45 1HB TYR 45 -0.817 -6.402 -6.887 344 HB3 TYR 45 2HB TYR 45 -0.386 -7.829 -7.819 345 HD1 TYR 45 1HD TYR 45 1.227 -9.523 -6.813 346 HD2 TYR 45 2HD TYR 45 -0.052 -6.027 -4.624 347 HE1 TYR 45 1HE TYR 45 2.091 -10.523 -4.702 348 HE2 TYR 45 2HE TYR 45 0.805 -7.036 -2.520 349 HH TYR 45 HH TYR 45 1.871 -8.786 -1.576 350 H ALA 46 H ALA 46 3.200 -6.340 -6.572 351 HA ALA 46 HA ALA 46 4.157 -8.883 -7.592 352 HB1 ALA 46 1HB ALA 46 6.320 -8.110 -8.363 353 HB2 ALA 46 2HB ALA 46 5.070 -7.209 -9.239 354 HB3 ALA 46 3HB ALA 46 5.938 -6.428 -7.905 355 H SER 47 H SER 47 5.664 -9.906 -6.208 356 HA SER 47 HA SER 47 6.516 -8.490 -3.730 357 HB2 SER 47 1HB SER 47 5.631 -10.144 -2.297 358 HB3 SER 47 2HB SER 47 4.317 -9.735 -3.407 359 HG SER 47 HG SER 47 4.616 -12.028 -3.128 360 H ALA 48 H ALA 48 7.921 -9.991 -2.362 361 HA ALA 48 HA ALA 48 9.930 -11.377 -4.066 362 HB1 ALA 48 1HB ALA 48 10.692 -9.412 -2.787 363 HB2 ALA 48 2HB ALA 48 10.181 -10.198 -1.274 364 HB3 ALA 48 3HB ALA 48 11.490 -10.900 -2.250 365 H ILE 49 H ILE 49 7.271 -12.379 -2.451 366 HA ILE 49 HA ILE 49 8.498 -14.970 -1.646 367 HB ILE 49 HB ILE 49 6.508 -13.449 0.076 368 HG12 ILE 49 1HG1 ILE 49 9.486 -13.940 0.492 369 HG13 ILE 49 2HG1 ILE 49 8.694 -12.382 0.254 370 HG21 ILE 49 1HG2 ILE 49 6.798 -15.299 1.673 371 HG22 ILE 49 2HG2 ILE 49 6.262 -15.947 0.145 372 HG23 ILE 49 3HG2 ILE 49 7.975 -16.081 0.595 373 HD11 ILE 49 3HD1 ILE 49 8.465 -14.158 2.696 374 HD12 ILE 49 1HD1 ILE 49 9.198 -12.553 2.564 375 HD13 ILE 49 2HD1 ILE 49 7.437 -12.730 2.400 376 H LYS 50 H LYS 50 7.515 -16.588 -2.598 377 HA LYS 50 HA LYS 50 5.300 -16.338 -4.342 378 HB2 LYS 50 1HB LYS 50 7.174 -18.061 -4.354 379 HB3 LYS 50 2HB LYS 50 6.318 -18.920 -3.074 380 HG2 LYS 50 1HG LYS 50 4.352 -19.195 -4.575 381 HG3 LYS 50 2HG LYS 50 5.188 -18.272 -5.839 382 HD2 LYS 50 1HD LYS 50 6.979 -19.998 -5.905 383 HD3 LYS 50 2HD LYS 50 6.132 -20.919 -4.644 384 HE2 LYS 50 1HE LYS 50 4.148 -21.122 -6.132 385 HE3 LYS 50 2HE LYS 50 4.996 -20.211 -7.389 386 HZ1 LYS 50 3HZ LYS 50 5.176 -22.604 -7.759 387 HZ2 LYS 50 1HZ LYS 50 5.875 -22.838 -6.305 388 HZ3 LYS 50 2HZ LYS 50 6.659 -21.996 -7.466 389 H ALA 51 H ALA 51 5.355 -17.596 -1.004 390 HA ALA 51 HA ALA 51 2.601 -18.326 -0.849 391 HB1 ALA 51 1HB ALA 51 2.982 -18.267 1.583 392 HB2 ALA 51 2HB ALA 51 4.333 -19.058 0.751 393 HB3 ALA 51 3HB ALA 51 4.507 -17.389 1.345 394 H ASN 52 H ASN 52 4.184 -15.137 -0.443 395 HA ASN 52 HA ASN 52 1.759 -13.868 0.545 396 HB2 ASN 52 1HB ASN 52 4.280 -13.198 0.870 397 HB3 ASN 52 2HB ASN 52 4.073 -12.341 -0.662 398 HD21 ASN 52 1HD2 ASN 52 1.999 -10.824 -0.667 399 HD22 ASN 52 2HD2 ASN 52 1.699 -10.014 0.865 400 H LEU 53 H LEU 53 3.259 -14.296 -2.702 401 HA LEU 53 HA LEU 53 1.266 -12.786 -4.109 402 HB2 LEU 53 1HB LEU 53 3.383 -13.420 -5.154 403 HB3 LEU 53 2HB LEU 53 2.993 -15.131 -4.982 404 HG LEU 53 HG LEU 53 1.038 -14.833 -6.518 405 HD11 LEU 53 1HD1 LEU 53 0.594 -12.430 -6.205 406 HD12 LEU 53 2HD1 LEU 53 0.918 -12.790 -7.901 407 HD13 LEU 53 3HD1 LEU 53 2.182 -12.034 -6.902 408 HD21 LEU 53 3HD2 LEU 53 2.292 -14.725 -8.554 409 HD22 LEU 53 1HD2 LEU 53 3.270 -15.569 -7.336 410 HD23 LEU 53 2HD2 LEU 53 3.623 -13.875 -7.757 411 H ASN 54 H ASN 54 1.339 -16.241 -3.046 412 HA ASN 54 HA ASN 54 -1.168 -16.956 -4.209 413 HB2 ASN 54 1HB ASN 54 0.462 -18.583 -3.353 414 HB3 ASN 54 2HB ASN 54 0.202 -18.020 -1.705 415 HD21 ASN 54 1HD2 ASN 54 -1.403 -19.044 -0.518 416 HD22 ASN 54 2HD2 ASN 54 -2.598 -20.103 -1.248 417 H VAL 55 H VAL 55 -0.498 -15.542 -0.964 418 HA VAL 55 HA VAL 55 -3.255 -15.323 -0.152 419 HB VAL 55 HB VAL 55 -0.773 -13.801 0.661 420 HG11 VAL 55 1HG1 VAL 55 -3.542 -13.706 1.936 421 HG12 VAL 55 2HG1 VAL 55 -2.051 -13.096 2.687 422 HG13 VAL 55 3HG1 VAL 55 -2.659 -12.338 1.216 423 HG21 VAL 55 3HG2 VAL 55 -0.905 -15.201 2.667 424 HG22 VAL 55 1HG2 VAL 55 -2.395 -15.964 2.064 425 HG23 VAL 55 2HG2 VAL 55 -0.853 -16.224 1.230 426 H HIS 56 H HIS 56 -1.202 -13.114 -2.075 427 HA HIS 56 HA HIS 56 -3.217 -11.073 -2.353 428 HB2 HIS 56 1HB HIS 56 -0.915 -10.554 -2.817 429 HB3 HIS 56 2HB HIS 56 -0.817 -11.796 -4.067 430 HD1 HIS 56 1HD HIS 56 -2.700 -8.470 -3.466 431 HD2 HIS 56 2HD HIS 56 -1.644 -11.198 -6.485 432 HE1 HIS 56 1HE HIS 56 -3.602 -7.494 -5.616 433 H LEU 57 H LEU 57 -2.471 -13.902 -4.473 434 HA LEU 57 HA LEU 57 -4.448 -13.367 -6.458 435 HB2 LEU 57 1HB LEU 57 -3.157 -15.895 -5.437 436 HB3 LEU 57 2HB LEU 57 -4.279 -15.925 -6.787 437 HG LEU 57 HG LEU 57 -1.763 -14.198 -6.818 438 HD11 LEU 57 1HD1 LEU 57 -0.738 -16.011 -8.140 439 HD12 LEU 57 2HD1 LEU 57 -2.175 -17.028 -7.869 440 HD13 LEU 57 3HD1 LEU 57 -1.140 -16.555 -6.504 441 HD21 LEU 57 3HD2 LEU 57 -3.439 -13.549 -8.482 442 HD22 LEU 57 1HD2 LEU 57 -3.611 -15.243 -9.008 443 HD23 LEU 57 2HD2 LEU 57 -2.089 -14.372 -9.268 444 H ARG 58 H ARG 58 -4.740 -15.017 -3.337 445 HA ARG 58 HA ARG 58 -7.486 -15.846 -3.570 446 HB2 ARG 58 1HB ARG 58 -5.740 -15.157 -1.177 447 HB3 ARG 58 2HB ARG 58 -7.387 -15.766 -1.013 448 HG2 ARG 58 1HG ARG 58 -6.858 -17.859 -2.030 449 HG3 ARG 58 2HG ARG 58 -5.304 -17.286 -2.625 450 HD2 ARG 58 1HD ARG 58 -4.909 -18.710 -0.709 451 HD3 ARG 58 2HD ARG 58 -4.457 -17.061 -0.315 452 HE ARG 58 HE ARG 58 -6.155 -16.942 1.273 453 HH11 ARG 58 2HH1 ARG 58 -6.696 -19.885 -0.563 454 HH12 ARG 58 1HH1 ARG 58 -7.895 -20.463 0.560 455 HH21 ARG 58 2HH2 ARG 58 -7.694 -17.742 2.649 456 HH22 ARG 58 1HH2 ARG 58 -8.441 -19.278 2.322 457 H LYS 59 H LYS 59 -6.294 -12.615 -3.373 458 HA LYS 59 HA LYS 59 -8.869 -11.494 -2.427 459 HB2 LYS 59 1HB LYS 59 -6.472 -10.009 -3.566 460 HB3 LYS 59 2HB LYS 59 -7.850 -9.334 -2.695 461 HG2 LYS 59 1HG LYS 59 -7.156 -10.729 -0.684 462 HG3 LYS 59 2HG LYS 59 -5.673 -11.131 -1.576 463 HD2 LYS 59 1HD LYS 59 -5.090 -8.736 -1.725 464 HD3 LYS 59 2HD LYS 59 -6.576 -8.320 -0.836 465 HE2 LYS 59 1HE LYS 59 -5.793 -9.727 1.079 466 HE3 LYS 59 2HE LYS 59 -4.295 -10.069 0.206 467 HZ1 LYS 59 3HZ LYS 59 -4.015 -8.234 1.777 468 HZ2 LYS 59 1HZ LYS 59 -5.198 -7.366 1.065 469 HZ3 LYS 59 2HZ LYS 59 -3.808 -7.670 0.259 470 H HIS 60 H HIS 60 -7.535 -12.462 -5.474 471 HA HIS 60 HA HIS 60 -9.311 -10.725 -7.070 472 HB2 HIS 60 1HB HIS 60 -7.314 -12.884 -7.821 473 HB3 HIS 60 2HB HIS 60 -8.403 -12.114 -8.969 474 HD1 HIS 60 1HD HIS 60 -8.156 -9.344 -9.156 475 HD2 HIS 60 2HD HIS 60 -5.018 -11.604 -7.501 476 HE1 HIS 60 1HE HIS 60 -6.099 -7.873 -9.314 477 H THR 61 H THR 61 -11.167 -11.513 -5.768 478 HA THR 61 HA THR 61 -12.507 -13.782 -7.169 479 HB THR 61 HB THR 61 -13.694 -14.332 -5.066 480 HG1 THR 61 1HG THR 61 -12.796 -13.597 -3.124 481 HG21 THR 61 3HG2 THR 61 -11.702 -15.647 -5.780 482 HG22 THR 61 1HG2 THR 61 -11.902 -15.605 -4.020 483 HG23 THR 61 2HG2 THR 61 -10.667 -14.591 -4.794 484 H GLY 62 H GLY 62 -14.764 -13.613 -7.412 485 HA2 GLY 62 1HA GLY 62 -16.684 -11.886 -6.709 486 HA3 GLY 62 2HA GLY 62 -15.682 -10.820 -7.697 487 H GLU 63 H GLU 63 -17.267 -10.536 -9.277 488 HA GLU 63 HA GLU 63 -18.353 -12.752 -10.809 489 HB2 GLU 63 1HB GLU 63 -19.617 -10.655 -10.366 490 HB3 GLU 63 2HB GLU 63 -18.405 -9.740 -11.262 491 HG2 GLU 63 1HG GLU 63 -20.412 -10.109 -12.597 492 HG3 GLU 63 2HG GLU 63 -19.025 -10.879 -13.342 493 H LYS 64 H LYS 64 -17.925 -13.127 -12.941 494 HA LYS 64 HA LYS 64 -15.078 -13.019 -13.684 495 HB2 LYS 64 1HB LYS 64 -17.472 -14.346 -15.005 496 HB3 LYS 64 2HB LYS 64 -15.827 -14.393 -15.658 497 HG2 LYS 64 1HG LYS 64 -15.004 -15.426 -13.561 498 HG3 LYS 64 2HG LYS 64 -16.660 -15.443 -12.922 499 HD2 LYS 64 1HD LYS 64 -17.361 -16.926 -14.802 500 HD3 LYS 64 2HD LYS 64 -15.725 -16.843 -15.467 501 HE2 LYS 64 1HE LYS 64 -15.838 -18.909 -14.322 502 HE3 LYS 64 2HE LYS 64 -14.841 -17.835 -13.336 503 HZ1 LYS 64 3HZ LYS 64 -16.791 -17.472 -11.902 504 HZ2 LYS 64 1HZ LYS 64 -16.468 -19.066 -11.998 505 HZ3 LYS 64 2HZ LYS 64 -17.715 -18.444 -12.840 506 H PHE 65 H PHE 65 -14.151 -12.188 -15.423 507 HA PHE 65 HA PHE 65 -15.600 -10.167 -17.094 508 HB2 PHE 65 1HB PHE 65 -12.643 -10.375 -16.417 509 HB3 PHE 65 2HB PHE 65 -13.372 -9.177 -17.472 510 HD1 PHE 65 1HD PHE 65 -13.019 -10.304 -13.964 511 HD2 PHE 65 2HD PHE 65 -14.638 -7.280 -16.571 512 HE1 PHE 65 1HE PHE 65 -13.408 -8.828 -12.003 513 HE2 PHE 65 2HE PHE 65 -15.048 -5.814 -14.607 514 HZ PHE 65 HZ PHE 65 -14.416 -6.576 -12.325 515 H ALA 66 H ALA 66 -15.661 -10.564 -19.295 516 HA ALA 66 HA ALA 66 -14.443 -13.134 -20.227 517 HB1 ALA 66 1HB ALA 66 -16.841 -13.315 -19.625 518 HB2 ALA 66 2HB ALA 66 -17.220 -12.036 -20.798 519 HB3 ALA 66 3HB ALA 66 -16.552 -13.584 -21.358 520 H CYS 67 H CYS 67 -13.799 -13.382 -22.284 521 HA CYS 67 HA CYS 67 -12.945 -11.085 -23.800 522 HB2 CYS 67 1HB CYS 67 -11.724 -13.188 -23.509 523 HB3 CYS 67 2HB CYS 67 -12.972 -14.045 -24.425 524 H ASP 68 H ASP 68 -13.559 -10.358 -25.747 525 HA ASP 68 HA ASP 68 -16.358 -10.835 -26.639 526 HB2 ASP 68 1HB ASP 68 -14.293 -8.713 -27.325 527 HB3 ASP 68 2HB ASP 68 -15.854 -8.846 -28.126 528 H TYR 69 H TYR 69 -13.290 -12.040 -27.345 529 HA TYR 69 HA TYR 69 -13.918 -12.536 -30.237 530 HB2 TYR 69 1HB TYR 69 -11.245 -12.150 -28.883 531 HB3 TYR 69 2HB TYR 69 -11.512 -12.369 -30.608 532 HD1 TYR 69 1HD TYR 69 -12.769 -10.554 -31.897 533 HD2 TYR 69 2HD TYR 69 -11.360 -10.014 -27.853 534 HE1 TYR 69 1HE TYR 69 -12.952 -8.078 -32.158 535 HE2 TYR 69 2HE TYR 69 -11.545 -7.546 -28.116 536 HH TYR 69 HH TYR 69 -12.107 -5.814 -29.509 537 H CYS 70 H CYS 70 -13.197 -14.140 -27.242 538 HA CYS 70 HA CYS 70 -13.477 -16.717 -28.567 539 HB2 CYS 70 1HB CYS 70 -11.506 -17.761 -27.757 540 HB3 CYS 70 2HB CYS 70 -11.032 -16.331 -28.654 541 H SER 71 H SER 71 -13.025 -18.433 -26.532 542 HA SER 71 HA SER 71 -15.285 -17.959 -24.750 543 HB2 SER 71 1HB SER 71 -13.416 -20.345 -24.934 544 HB3 SER 71 2HB SER 71 -14.978 -20.286 -24.095 545 HG SER 71 HG SER 71 -15.153 -21.215 -26.189 546 H PHE 72 H PHE 72 -12.180 -16.890 -24.362 547 HA PHE 72 HA PHE 72 -11.385 -17.823 -21.809 548 HB2 PHE 72 1HB PHE 72 -9.863 -16.751 -23.332 549 HB3 PHE 72 2HB PHE 72 -10.804 -15.269 -23.320 550 HD1 PHE 72 1HD PHE 72 -8.413 -17.337 -21.390 551 HD2 PHE 72 2HD PHE 72 -10.623 -13.634 -21.526 552 HE1 PHE 72 1HE PHE 72 -6.959 -16.394 -19.606 553 HE2 PHE 72 2HE PHE 72 -9.159 -12.696 -19.756 554 HZ PHE 72 HZ PHE 72 -7.324 -14.070 -18.801 555 H THR 73 H THR 73 -11.690 -17.226 -19.755 556 HA THR 73 HA THR 73 -13.052 -14.709 -19.078 557 HB THR 73 HB THR 73 -14.393 -15.732 -17.303 558 HG1 THR 73 1HG THR 73 -13.791 -18.200 -18.562 559 HG21 THR 73 3HG2 THR 73 -15.100 -16.939 -20.007 560 HG22 THR 73 1HG2 THR 73 -15.456 -15.281 -19.491 561 HG23 THR 73 2HG2 THR 73 -16.194 -16.644 -18.638 562 H CYS 74 H CYS 74 -12.554 -13.865 -17.062 563 HA CYS 74 HA CYS 74 -10.482 -15.145 -15.377 564 HB2 CYS 74 1HB CYS 74 -9.010 -13.157 -15.608 565 HB3 CYS 74 2HB CYS 74 -9.213 -14.022 -17.136 566 HG CYS 74 HG CYS 74 -11.224 -12.465 -17.981 567 H LEU 75 H LEU 75 -9.845 -13.396 -13.583 568 HA LEU 75 HA LEU 75 -12.393 -12.294 -12.470 569 HB2 LEU 75 1HB LEU 75 -10.083 -13.651 -11.051 570 HB3 LEU 75 2HB LEU 75 -11.427 -12.862 -10.230 571 HG LEU 75 HG LEU 75 -11.760 -15.222 -12.133 572 HD11 LEU 75 1HD1 LEU 75 -12.128 -16.576 -10.143 573 HD12 LEU 75 2HD1 LEU 75 -11.835 -15.172 -9.095 574 HD13 LEU 75 3HD1 LEU 75 -10.518 -15.840 -10.080 575 HD21 LEU 75 3HD2 LEU 75 -14.013 -15.388 -11.089 576 HD22 LEU 75 1HD2 LEU 75 -13.810 -13.869 -11.964 577 HD23 LEU 75 2HD2 LEU 75 -13.703 -13.884 -10.194 578 H SER 76 H SER 76 -10.326 -10.923 -14.149 579 HA SER 76 HA SER 76 -10.483 -8.434 -12.621 580 HB2 SER 76 1HB SER 76 -8.304 -9.188 -11.855 581 HB3 SER 76 2HB SER 76 -7.809 -9.561 -13.518 582 HG SER 76 HG SER 76 -6.993 -7.542 -12.851 583 H LYS 77 H LYS 77 -10.880 -6.740 -13.961 584 HA LYS 77 HA LYS 77 -11.027 -6.995 -16.830 585 HB2 LYS 77 1HB LYS 77 -11.428 -4.595 -16.848 586 HB3 LYS 77 2HB LYS 77 -12.409 -5.409 -15.635 587 HG2 LYS 77 1HG LYS 77 -10.856 -4.630 -13.843 588 HG3 LYS 77 2HG LYS 77 -9.840 -3.856 -15.066 589 HD2 LYS 77 1HD LYS 77 -11.202 -2.180 -14.012 590 HD3 LYS 77 2HD LYS 77 -11.722 -2.363 -15.694 591 HE2 LYS 77 1HE LYS 77 -13.636 -3.764 -14.955 592 HE3 LYS 77 2HE LYS 77 -13.088 -3.644 -13.277 593 HZ1 LYS 77 3HZ LYS 77 -13.961 -1.346 -14.952 594 HZ2 LYS 77 1HZ LYS 77 -13.458 -1.236 -13.401 595 HZ3 LYS 77 2HZ LYS 77 -14.838 -2.028 -13.758 596 H GLY 78 H GLY 78 -8.360 -6.224 -14.714 597 HA2 GLY 78 1HA GLY 78 -6.547 -5.113 -16.691 598 HA3 GLY 78 2HA GLY 78 -6.123 -5.860 -15.140 599 H HIS 79 H HIS 79 -7.132 -8.443 -15.424 600 HA HIS 79 HA HIS 79 -5.203 -9.730 -17.116 601 HB2 HIS 79 1HB HIS 79 -6.313 -10.635 -15.007 602 HB3 HIS 79 2HB HIS 79 -7.739 -10.950 -15.969 603 HD1 HIS 79 1HD HIS 79 -6.958 -13.491 -14.916 604 HD2 HIS 79 2HD HIS 79 -4.686 -11.807 -18.028 605 HE1 HIS 79 1HE HIS 79 -5.648 -15.417 -15.978 606 H LEU 80 H LEU 80 -8.699 -9.033 -17.552 607 HA LEU 80 HA LEU 80 -8.978 -10.281 -20.087 608 HB2 LEU 80 1HB LEU 80 -10.880 -9.536 -18.684 609 HB3 LEU 80 2HB LEU 80 -10.429 -7.854 -18.952 610 HG LEU 80 HG LEU 80 -10.884 -8.087 -21.369 611 HD11 LEU 80 1HD1 LEU 80 -10.414 -10.462 -21.756 612 HD12 LEU 80 2HD1 LEU 80 -12.077 -10.099 -22.185 613 HD13 LEU 80 3HD1 LEU 80 -11.735 -10.932 -20.656 614 HD21 LEU 80 3HD2 LEU 80 -13.213 -9.118 -19.723 615 HD22 LEU 80 1HD2 LEU 80 -13.284 -8.214 -21.243 616 HD23 LEU 80 2HD2 LEU 80 -12.688 -7.416 -19.778 617 H LYS 81 H LYS 81 -8.054 -6.878 -19.316 618 HA LYS 81 HA LYS 81 -7.691 -6.027 -22.019 619 HB2 LYS 81 1HB LYS 81 -7.821 -4.520 -20.053 620 HB3 LYS 81 2HB LYS 81 -6.234 -5.087 -19.510 621 HG2 LYS 81 1HG LYS 81 -5.185 -4.188 -21.560 622 HG3 LYS 81 2HG LYS 81 -6.774 -3.765 -22.210 623 HD2 LYS 81 1HD LYS 81 -5.702 -1.773 -21.382 624 HD3 LYS 81 2HD LYS 81 -7.102 -2.138 -20.365 625 HE2 LYS 81 1HE LYS 81 -5.603 -3.139 -18.654 626 HE3 LYS 81 2HE LYS 81 -4.204 -2.839 -19.693 627 HZ1 LYS 81 3HZ LYS 81 -5.958 -0.725 -18.551 628 HZ2 LYS 81 1HZ LYS 81 -4.662 -0.451 -19.507 629 HZ3 LYS 81 2HZ LYS 81 -4.459 -1.093 -18.022 630 H VAL 82 H VAL 82 -5.297 -7.443 -19.750 631 HA VAL 82 HA VAL 82 -3.094 -7.542 -21.558 632 HB VAL 82 HB VAL 82 -3.834 -9.266 -19.165 633 HG11 VAL 82 1HG1 VAL 82 -1.452 -9.989 -19.123 634 HG12 VAL 82 2HG1 VAL 82 -2.324 -10.644 -20.508 635 HG13 VAL 82 3HG1 VAL 82 -1.223 -9.261 -20.729 636 HG21 VAL 82 3HG2 VAL 82 -3.279 -6.841 -18.767 637 HG22 VAL 82 1HG2 VAL 82 -2.117 -7.949 -18.032 638 HG23 VAL 82 2HG2 VAL 82 -1.710 -7.105 -19.543 639 H HIS 83 H HIS 83 -5.709 -9.983 -21.061 640 HA HIS 83 HA HIS 83 -4.740 -11.868 -22.960 641 HB2 HIS 83 1HB HIS 83 -6.442 -12.467 -21.373 642 HB3 HIS 83 2HB HIS 83 -7.537 -11.225 -21.964 643 HD1 HIS 83 1HD HIS 83 -6.103 -14.620 -23.095 644 HD2 HIS 83 2HD HIS 83 -9.077 -11.802 -24.019 645 HE1 HIS 83 1HE HIS 83 -7.542 -15.699 -24.884 646 H ILE 84 H ILE 84 -7.123 -9.178 -23.494 647 HA ILE 84 HA ILE 84 -7.415 -9.797 -26.285 648 HB ILE 84 HB ILE 84 -8.069 -7.267 -24.743 649 HG12 ILE 84 1HG1 ILE 84 -9.856 -9.542 -25.751 650 HG13 ILE 84 2HG1 ILE 84 -9.278 -9.409 -24.098 651 HG21 ILE 84 1HG2 ILE 84 -7.815 -6.752 -27.172 652 HG22 ILE 84 2HG2 ILE 84 -8.927 -8.083 -27.568 653 HG23 ILE 84 3HG2 ILE 84 -9.491 -6.650 -26.682 654 HD11 ILE 84 3HD1 ILE 84 -10.458 -7.221 -23.863 655 HD12 ILE 84 1HD1 ILE 84 -11.182 -7.485 -25.471 656 HD13 ILE 84 2HD1 ILE 84 -11.525 -8.610 -24.152 657 H GLU 85 H GLU 85 -5.321 -7.379 -24.657 658 HA GLU 85 HA GLU 85 -4.195 -6.225 -27.011 659 HB2 GLU 85 1HB GLU 85 -3.148 -6.565 -24.171 660 HB3 GLU 85 2HB GLU 85 -2.296 -5.637 -25.392 661 HG2 GLU 85 1HG GLU 85 -5.144 -5.005 -24.514 662 HG3 GLU 85 2HG GLU 85 -3.702 -4.273 -23.820 663 H ARG 86 H ARG 86 -3.399 -9.287 -25.423 664 HA ARG 86 HA ARG 86 -0.919 -9.603 -27.058 665 HB2 ARG 86 1HB ARG 86 -2.057 -11.190 -24.735 666 HB3 ARG 86 2HB ARG 86 -0.615 -11.654 -25.647 667 HG2 ARG 86 1HG ARG 86 0.496 -9.530 -25.070 668 HG3 ARG 86 2HG ARG 86 -0.926 -9.012 -24.144 669 HD2 ARG 86 1HD ARG 86 -0.677 -10.962 -22.654 670 HD3 ARG 86 2HD ARG 86 0.736 -11.499 -23.587 671 HE ARG 86 HE ARG 86 1.226 -8.835 -22.761 672 HH11 ARG 86 2HH1 ARG 86 0.932 -11.967 -21.222 673 HH12 ARG 86 1HH1 ARG 86 1.963 -11.513 -19.892 674 HH21 ARG 86 1HH2 ARG 86 2.532 -8.320 -21.038 675 HH22 ARG 86 2HH2 ARG 86 2.841 -9.498 -19.798 676 H VAL 87 H VAL 87 -4.102 -11.158 -26.709 677 HA VAL 87 HA VAL 87 -3.304 -13.259 -28.634 678 HB VAL 87 HB VAL 87 -5.820 -12.998 -26.954 679 HG11 VAL 87 1HG1 VAL 87 -6.062 -15.431 -27.375 680 HG12 VAL 87 2HG1 VAL 87 -6.199 -14.498 -28.863 681 HG13 VAL 87 3HG1 VAL 87 -4.691 -15.368 -28.507 682 HG21 VAL 87 3HG2 VAL 87 -3.813 -13.260 -25.523 683 HG22 VAL 87 1HG2 VAL 87 -4.742 -14.756 -25.545 684 HG23 VAL 87 2HG2 VAL 87 -3.265 -14.623 -26.521 685 H HIS 88 H HIS 88 -5.586 -10.521 -28.562 686 HA HIS 88 HA HIS 88 -6.609 -11.379 -31.256 687 HB2 HIS 88 1HB HIS 88 -8.035 -9.854 -29.061 688 HB3 HIS 88 2HB HIS 88 -8.719 -10.347 -30.608 689 HD1 HIS 88 1HD HIS 88 -8.640 -13.229 -30.939 690 HD2 HIS 88 2HD HIS 88 -8.503 -11.489 -27.119 691 HE1 HIS 88 1HE HIS 88 -9.395 -15.043 -29.326 692 H LYS 89 H LYS 89 -5.422 -8.569 -29.443 693 HA LYS 89 HA LYS 89 -6.083 -6.588 -31.393 694 HB2 LYS 89 1HB LYS 89 -5.579 -6.171 -28.986 695 HB3 LYS 89 2HB LYS 89 -3.914 -6.660 -29.264 696 HG2 LYS 89 1HG LYS 89 -4.074 -4.244 -29.135 697 HG3 LYS 89 2HG LYS 89 -3.523 -4.744 -30.722 698 HD2 LYS 89 1HD LYS 89 -5.105 -2.889 -30.873 699 HD3 LYS 89 2HD LYS 89 -5.711 -4.318 -31.691 700 HE2 LYS 89 1HE LYS 89 -7.576 -3.391 -30.596 701 HE3 LYS 89 2HE LYS 89 -7.136 -4.807 -29.641 702 HZ1 LYS 89 3HZ LYS 89 -6.401 -2.001 -28.975 703 HZ2 LYS 89 1HZ LYS 89 -6.016 -3.302 -28.061 704 HZ3 LYS 89 2HZ LYS 89 -7.577 -2.862 -28.242 705 H LYS 90 H LYS 90 -5.129 -5.939 -33.161 706 HA LYS 90 HA LYS 90 -2.321 -6.554 -33.852 707 HB2 LYS 90 1HB LYS 90 -2.859 -7.482 -36.021 708 HB3 LYS 90 2HB LYS 90 -3.595 -8.463 -34.760 709 HG2 LYS 90 1HG LYS 90 -5.797 -7.418 -35.182 710 HG3 LYS 90 2HG LYS 90 -5.093 -6.373 -36.421 711 HD2 LYS 90 1HD LYS 90 -5.152 -9.417 -36.544 712 HD3 LYS 90 2HD LYS 90 -6.316 -8.340 -37.329 713 HE2 LYS 90 1HE LYS 90 -4.457 -7.279 -38.620 714 HE3 LYS 90 2HE LYS 90 -3.317 -8.414 -37.890 715 HZ1 LYS 90 3HZ LYS 90 -4.568 -10.236 -38.917 716 HZ2 LYS 90 1HZ LYS 90 -4.058 -9.194 -40.062 717 HZ3 LYS 90 2HZ LYS 90 -5.622 -9.189 -39.598 718 H ILE 91 H ILE 91 -1.612 -5.443 -35.820 719 HA ILE 91 HA ILE 91 -2.788 -2.746 -36.119 720 HB ILE 91 HB ILE 91 -0.388 -2.990 -35.584 721 HG12 ILE 91 1HG1 ILE 91 -0.827 -1.686 -38.298 722 HG13 ILE 91 2HG1 ILE 91 -1.383 -1.007 -36.763 723 HG21 ILE 91 1HG2 ILE 91 1.232 -3.760 -37.231 724 HG22 ILE 91 2HG2 ILE 91 0.082 -5.058 -36.928 725 HG23 ILE 91 3HG2 ILE 91 -0.050 -4.091 -38.411 726 HD11 ILE 91 3HD1 ILE 91 0.696 0.049 -37.382 727 HD12 ILE 91 1HD1 ILE 91 0.980 -0.960 -35.950 728 HD13 ILE 91 2HD1 ILE 91 1.513 -1.510 -37.559 729 H LYS 92 H LYS 92 -3.223 -1.888 -38.175 730 HA LYS 92 HA LYS 92 -3.402 -3.623 -40.539 731 HB2 LYS 92 1HB LYS 92 -5.750 -3.140 -40.971 732 HB3 LYS 92 2HB LYS 92 -5.539 -4.064 -39.485 733 HG2 LYS 92 1HG LYS 92 -5.920 -2.032 -38.128 734 HG3 LYS 92 2HG LYS 92 -5.995 -1.044 -39.593 735 HD2 LYS 92 1HD LYS 92 -8.230 -1.433 -38.789 736 HD3 LYS 92 2HD LYS 92 -8.013 -2.261 -40.337 737 HE2 LYS 92 1HE LYS 92 -7.665 -4.412 -39.136 738 HE3 LYS 92 2HE LYS 92 -7.841 -3.579 -37.585 739 HZ1 LYS 92 3HZ LYS 92 -9.958 -3.777 -39.665 740 HZ2 LYS 92 1HZ LYS 92 -10.125 -3.011 -38.230 741 HZ3 LYS 92 2HZ LYS 92 -9.922 -4.629 -38.274 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 18.652 23.603 -44.577 2 H2 GLY 1 2H GLY 1 20.055 24.450 -44.612 3 H3 GLY 1 3H GLY 1 19.591 23.688 -43.238 4 HA2 GLY 1 1HA GLY 1 20.346 22.367 -45.767 5 HA3 GLY 1 2HA GLY 1 21.349 22.444 -44.305 6 H SER 2 H SER 2 21.427 20.175 -44.111 7 HA SER 2 HA SER 2 19.109 18.479 -44.030 8 HB2 SER 2 1HB SER 2 21.909 17.987 -42.954 9 HB3 SER 2 2HB SER 2 20.669 16.757 -43.257 10 HG SER 2 HG SER 2 22.156 16.941 -45.005 11 H SER 3 H SER 3 18.273 17.260 -42.291 12 HA SER 3 HA SER 3 18.607 18.340 -39.524 13 HB2 SER 3 1HB SER 3 15.969 17.779 -40.933 14 HB3 SER 3 2HB SER 3 16.156 18.159 -39.213 15 HG SER 3 HG SER 3 15.628 20.011 -40.473 16 H GLY 4 H GLY 4 18.060 16.891 -37.835 17 HA2 GLY 4 1HA GLY 4 17.734 14.864 -36.781 18 HA3 GLY 4 2HA GLY 4 17.280 14.135 -38.320 19 H SER 5 H SER 5 20.335 15.580 -38.643 20 HA SER 5 HA SER 5 21.685 13.156 -39.113 21 HB2 SER 5 1HB SER 5 22.930 15.863 -38.511 22 HB3 SER 5 2HB SER 5 23.657 14.531 -39.429 23 HG SER 5 HG SER 5 22.771 16.109 -40.816 24 H SER 6 H SER 6 21.304 14.808 -36.083 25 HA SER 6 HA SER 6 23.659 13.642 -34.803 26 HB2 SER 6 1HB SER 6 21.454 15.346 -33.607 27 HB3 SER 6 2HB SER 6 23.032 14.977 -32.883 28 HG SER 6 HG SER 6 23.018 17.026 -33.917 29 H GLY 7 H GLY 7 21.286 11.864 -35.662 30 HA2 GLY 7 1HA GLY 7 19.970 10.803 -33.382 31 HA3 GLY 7 2HA GLY 7 20.226 9.959 -34.906 32 H LYS 8 H LYS 8 20.209 8.773 -32.331 33 HA LYS 8 HA LYS 8 22.963 7.655 -32.071 34 HB2 LYS 8 1HB LYS 8 22.683 9.481 -30.431 35 HB3 LYS 8 2HB LYS 8 21.216 8.723 -29.801 36 HG2 LYS 8 1HG LYS 8 22.482 6.837 -28.935 37 HG3 LYS 8 2HG LYS 8 23.962 7.400 -29.743 38 HD2 LYS 8 1HD LYS 8 24.005 9.401 -28.319 39 HD3 LYS 8 2HD LYS 8 22.479 8.914 -27.547 40 HE2 LYS 8 1HE LYS 8 23.532 6.854 -26.701 41 HE3 LYS 8 2HE LYS 8 25.041 7.254 -27.530 42 HZ1 LYS 8 3HZ LYS 8 25.238 9.219 -26.114 43 HZ2 LYS 8 1HZ LYS 8 25.123 7.887 -25.184 44 HZ3 LYS 8 2HZ LYS 8 23.835 8.876 -25.348 45 H ILE 9 H ILE 9 23.132 5.661 -31.110 46 HA ILE 9 HA ILE 9 20.712 3.905 -31.184 47 HB ILE 9 HB ILE 9 23.533 3.286 -32.151 48 HG12 ILE 9 1HG1 ILE 9 20.938 3.626 -33.730 49 HG13 ILE 9 2HG1 ILE 9 22.256 4.789 -33.689 50 HG21 ILE 9 1HG2 ILE 9 21.027 1.553 -32.129 51 HG22 ILE 9 2HG2 ILE 9 22.576 1.120 -32.889 52 HG23 ILE 9 3HG2 ILE 9 22.498 1.303 -31.155 53 HD11 ILE 9 3HD1 ILE 9 22.456 3.609 -35.722 54 HD12 ILE 9 1HD1 ILE 9 23.792 3.095 -34.675 55 HD13 ILE 9 2HD1 ILE 9 22.380 2.031 -34.926 56 H PHE 10 H PHE 10 20.564 2.340 -29.597 57 HA PHE 10 HA PHE 10 22.437 2.607 -27.271 58 HB2 PHE 10 1HB PHE 10 19.407 2.337 -27.322 59 HB3 PHE 10 2HB PHE 10 20.406 2.324 -25.876 60 HD1 PHE 10 1HD PHE 10 19.169 4.452 -28.668 61 HD2 PHE 10 2HD PHE 10 21.372 4.359 -24.962 62 HE1 PHE 10 1HE PHE 10 19.101 6.932 -28.567 63 HE2 PHE 10 2HE PHE 10 21.297 6.837 -24.859 64 HZ PHE 10 HZ PHE 10 20.149 8.129 -26.648 65 H THR 11 H THR 11 23.171 0.731 -26.326 66 HA THR 11 HA THR 11 22.200 -1.858 -27.466 67 HB THR 11 HB THR 11 25.087 -1.020 -27.055 68 HG1 THR 11 1HG THR 11 25.144 -0.873 -29.285 69 HG21 THR 11 3HG2 THR 11 23.849 -3.416 -28.476 70 HG22 THR 11 1HG2 THR 11 24.781 -3.462 -26.959 71 HG23 THR 11 2HG2 THR 11 25.576 -2.998 -28.469 72 H CYS 12 H CYS 12 22.017 -3.543 -26.135 73 HA CYS 12 HA CYS 12 22.266 -3.228 -23.256 74 HB2 CYS 12 1HB CYS 12 20.430 -4.424 -24.276 75 HB3 CYS 12 2HB CYS 12 21.550 -5.564 -25.055 76 H GLU 13 H GLU 13 23.885 -3.794 -21.968 77 HA GLU 13 HA GLU 13 26.375 -4.889 -23.094 78 HB2 GLU 13 1HB GLU 13 27.394 -4.312 -21.010 79 HB3 GLU 13 2HB GLU 13 26.425 -2.958 -21.582 80 HG2 GLU 13 1HG GLU 13 24.605 -3.610 -19.988 81 HG3 GLU 13 2HG GLU 13 25.621 -4.932 -19.400 82 H TYR 14 H TYR 14 23.604 -6.312 -21.802 83 HA TYR 14 HA TYR 14 25.066 -8.594 -20.549 84 HB2 TYR 14 1HB TYR 14 22.157 -7.789 -20.454 85 HB3 TYR 14 2HB TYR 14 22.860 -9.161 -19.616 86 HD1 TYR 14 2HD TYR 14 24.509 -8.794 -17.751 87 HD2 TYR 14 1HD TYR 14 22.298 -5.558 -19.557 88 HE1 TYR 14 2HE TYR 14 24.978 -7.359 -15.763 89 HE2 TYR 14 1HE TYR 14 22.770 -4.129 -17.572 90 HH TYR 14 HH TYR 14 23.774 -3.991 -15.518 91 H CYS 15 H CYS 15 22.853 -7.895 -23.248 92 HA CYS 15 HA CYS 15 23.312 -10.656 -24.241 93 HB2 CYS 15 1HB CYS 15 21.037 -10.986 -24.828 94 HB3 CYS 15 2HB CYS 15 21.174 -10.667 -23.101 95 H ASN 16 H ASN 16 24.019 -7.646 -24.989 96 HA ASN 16 HA ASN 16 24.627 -6.515 -26.806 97 HB2 ASN 16 1HB ASN 16 25.968 -8.671 -26.916 98 HB3 ASN 16 2HB ASN 16 24.869 -9.190 -28.195 99 HD21 ASN 16 1HD2 ASN 16 26.664 -9.279 -29.683 100 HD22 ASN 16 2HD2 ASN 16 27.378 -7.796 -30.301 101 H LYS 17 H LYS 17 21.663 -7.132 -26.643 102 HA LYS 17 HA LYS 17 20.656 -6.861 -29.368 103 HB2 LYS 17 1HB LYS 17 19.462 -6.406 -26.614 104 HB3 LYS 17 2HB LYS 17 18.560 -6.078 -28.110 105 HG2 LYS 17 1HG LYS 17 18.776 -8.418 -28.811 106 HG3 LYS 17 2HG LYS 17 19.779 -8.758 -27.386 107 HD2 LYS 17 1HD LYS 17 17.825 -7.942 -25.951 108 HD3 LYS 17 2HD LYS 17 16.859 -7.846 -27.420 109 HE2 LYS 17 1HE LYS 17 16.409 -9.866 -26.140 110 HE3 LYS 17 2HE LYS 17 17.024 -10.252 -27.753 111 HZ1 LYS 17 3HZ LYS 17 18.811 -10.157 -25.373 112 HZ2 LYS 17 1HZ LYS 17 19.135 -10.810 -26.824 113 HZ3 LYS 17 2HZ LYS 17 18.055 -11.547 -25.846 114 H VAL 18 H VAL 18 19.741 -5.079 -30.299 115 HA VAL 18 HA VAL 18 20.901 -2.432 -29.501 116 HB VAL 18 HB VAL 18 20.459 -3.482 -32.319 117 HG11 VAL 18 1HG1 VAL 18 21.743 -0.927 -31.269 118 HG12 VAL 18 2HG1 VAL 18 21.781 -1.460 -32.964 119 HG13 VAL 18 3HG1 VAL 18 20.240 -1.030 -32.219 120 HG21 VAL 18 3HG2 VAL 18 22.387 -4.615 -31.256 121 HG22 VAL 18 1HG2 VAL 18 22.938 -3.462 -32.470 122 HG23 VAL 18 2HG2 VAL 18 23.041 -3.041 -30.749 123 H PHE 19 H PHE 19 19.649 -0.697 -29.473 124 HA PHE 19 HA PHE 19 16.758 -0.881 -30.171 125 HB2 PHE 19 1HB PHE 19 17.977 0.186 -27.592 126 HB3 PHE 19 2HB PHE 19 16.272 0.183 -28.012 127 HD1 PHE 19 2HD PHE 19 14.980 -1.963 -28.107 128 HD2 PHE 19 1HD PHE 19 19.080 -1.828 -26.788 129 HE1 PHE 19 2HE PHE 19 14.772 -4.277 -27.221 130 HE2 PHE 19 1HE PHE 19 18.868 -4.136 -25.898 131 HZ PHE 19 HZ PHE 19 16.726 -5.388 -26.151 132 H LYS 20 H LYS 20 15.727 1.047 -30.670 133 HA LYS 20 HA LYS 20 17.393 3.037 -31.982 134 HB2 LYS 20 1HB LYS 20 14.387 2.748 -31.645 135 HB3 LYS 20 2HB LYS 20 15.160 4.050 -32.560 136 HG2 LYS 20 1HG LYS 20 16.259 2.397 -34.042 137 HG3 LYS 20 2HG LYS 20 15.523 1.074 -33.130 138 HD2 LYS 20 1HD LYS 20 14.267 1.420 -35.144 139 HD3 LYS 20 2HD LYS 20 13.267 1.889 -33.758 140 HE2 LYS 20 1HE LYS 20 13.770 4.278 -34.191 141 HE3 LYS 20 2HE LYS 20 14.837 3.824 -35.527 142 HZ1 LYS 20 3HZ LYS 20 11.911 3.300 -35.434 143 HZ2 LYS 20 1HZ LYS 20 12.898 2.888 -36.669 144 HZ3 LYS 20 2HZ LYS 20 12.632 4.460 -36.326 145 H PHE 21 H PHE 21 15.890 2.968 -28.844 146 HA PHE 21 HA PHE 21 16.576 5.837 -28.398 147 HB2 PHE 21 1HB PHE 21 13.956 4.556 -27.558 148 HB3 PHE 21 2HB PHE 21 14.430 6.236 -27.367 149 HD1 PHE 21 2HD PHE 21 14.879 7.614 -29.553 150 HD2 PHE 21 1HD PHE 21 12.717 3.882 -29.454 151 HE1 PHE 21 2HE PHE 21 13.842 8.153 -31.746 152 HE2 PHE 21 1HE PHE 21 11.683 4.423 -31.647 153 HZ PHE 21 HZ PHE 21 12.245 6.560 -32.797 154 H LYS 22 H LYS 22 16.856 6.478 -26.248 155 HA LYS 22 HA LYS 22 18.147 4.691 -24.470 156 HB2 LYS 22 1HB LYS 22 18.374 7.191 -24.561 157 HB3 LYS 22 2HB LYS 22 16.783 7.344 -23.815 158 HG2 LYS 22 1HG LYS 22 17.610 6.085 -21.827 159 HG3 LYS 22 2HG LYS 22 19.209 5.957 -22.565 160 HD2 LYS 22 1HD LYS 22 17.783 8.564 -21.853 161 HD3 LYS 22 2HD LYS 22 19.009 7.766 -20.856 162 HE2 LYS 22 1HE LYS 22 20.671 8.017 -22.685 163 HE3 LYS 22 2HE LYS 22 19.456 8.840 -23.675 164 HZ1 LYS 22 3HZ LYS 22 19.338 10.579 -21.968 165 HZ2 LYS 22 1HZ LYS 22 20.867 10.438 -22.514 166 HZ3 LYS 22 2HZ LYS 22 20.465 9.824 -21.057 167 H HIS 23 H HIS 23 14.756 5.854 -24.414 168 HA HIS 23 HA HIS 23 14.058 4.507 -21.995 169 HB2 HIS 23 1HB HIS 23 11.745 4.968 -22.623 170 HB3 HIS 23 2HB HIS 23 12.782 6.375 -22.786 171 HD1 HIS 23 1HD HIS 23 12.698 7.579 -25.126 172 HD2 HIS 23 2HD HIS 23 10.963 3.744 -25.026 173 HE1 HIS 23 1HE HIS 23 11.537 7.259 -27.372 174 H SER 24 H SER 24 14.067 3.336 -25.366 175 HA SER 24 HA SER 24 12.672 0.870 -24.891 176 HB2 SER 24 1HB SER 24 14.823 1.490 -26.946 177 HB3 SER 24 2HB SER 24 13.683 0.136 -26.998 178 HG SER 24 HG SER 24 11.990 1.632 -27.215 179 H LEU 25 H LEU 25 16.204 1.661 -24.869 180 HA LEU 25 HA LEU 25 17.003 -0.955 -23.994 181 HB2 LEU 25 1HB LEU 25 18.577 0.552 -25.056 182 HB3 LEU 25 2HB LEU 25 18.371 1.748 -23.773 183 HG LEU 25 HG LEU 25 19.378 0.194 -22.129 184 HD11 LEU 25 1HD1 LEU 25 18.790 -1.992 -23.157 185 HD12 LEU 25 2HD1 LEU 25 20.520 -1.851 -22.861 186 HD13 LEU 25 3HD1 LEU 25 19.890 -1.645 -24.509 187 HD21 LEU 25 3HD2 LEU 25 21.109 0.507 -24.595 188 HD22 LEU 25 1HD2 LEU 25 21.667 0.284 -22.929 189 HD23 LEU 25 2HD2 LEU 25 20.813 1.771 -23.375 190 H GLN 26 H GLN 26 16.235 2.034 -22.107 191 HA GLN 26 HA GLN 26 16.830 0.995 -19.536 192 HB2 GLN 26 1HB GLN 26 14.856 3.074 -20.522 193 HB3 GLN 26 2HB GLN 26 15.008 2.692 -18.811 194 HG2 GLN 26 1HG GLN 26 17.365 3.307 -18.800 195 HG3 GLN 26 2HG GLN 26 17.363 3.600 -20.529 196 HE21 GLN 26 1HE2 GLN 26 18.188 5.580 -18.661 197 HE22 GLN 26 2HE2 GLN 26 17.000 6.877 -18.713 198 H ALA 27 H ALA 27 13.729 0.756 -21.356 199 HA ALA 27 HA ALA 27 12.393 -0.749 -19.287 200 HB1 ALA 27 1HB ALA 27 11.228 0.560 -21.005 201 HB2 ALA 27 2HB ALA 27 11.853 -0.525 -22.272 202 HB3 ALA 27 3HB ALA 27 10.729 -1.148 -21.039 203 H HIS 28 H HIS 28 14.397 -1.729 -22.092 204 HA HIS 28 HA HIS 28 13.912 -4.559 -21.857 205 HB2 HIS 28 1HB HIS 28 14.816 -3.687 -23.904 206 HB3 HIS 28 2HB HIS 28 16.170 -2.926 -23.070 207 HD1 HIS 28 1HD HIS 28 14.894 -6.526 -23.731 208 HD2 HIS 28 2HD HIS 28 18.334 -4.338 -22.706 209 HE1 HIS 28 1HE HIS 28 16.781 -8.212 -23.636 210 H LEU 29 H LEU 29 16.439 -2.442 -20.430 211 HA LEU 29 HA LEU 29 18.036 -4.432 -19.273 212 HB2 LEU 29 1HB LEU 29 17.469 -1.547 -18.544 213 HB3 LEU 29 2HB LEU 29 18.599 -2.503 -17.599 214 HG LEU 29 HG LEU 29 18.919 -2.130 -20.604 215 HD11 LEU 29 1HD1 LEU 29 20.206 -0.589 -18.310 216 HD12 LEU 29 2HD1 LEU 29 19.031 0.059 -19.477 217 HD13 LEU 29 3HD1 LEU 29 20.634 -0.446 -20.029 218 HD21 LEU 29 3HD2 LEU 29 21.266 -2.757 -20.132 219 HD22 LEU 29 1HD2 LEU 29 20.153 -4.057 -19.718 220 HD23 LEU 29 2HD2 LEU 29 20.839 -3.044 -18.430 221 H ARG 30 H ARG 30 14.879 -3.471 -18.170 222 HA ARG 30 HA ARG 30 15.015 -4.255 -15.433 223 HB2 ARG 30 1HB ARG 30 12.684 -4.399 -17.393 224 HB3 ARG 30 2HB ARG 30 12.564 -4.599 -15.645 225 HG2 ARG 30 1HG ARG 30 13.550 -2.285 -15.353 226 HG3 ARG 30 2HG ARG 30 13.481 -2.086 -17.109 227 HD2 ARG 30 1HD ARG 30 11.552 -1.026 -16.137 228 HD3 ARG 30 2HD ARG 30 11.016 -2.456 -17.042 229 HE ARG 30 HE ARG 30 11.435 -3.301 -14.370 230 HH11 ARG 30 2HH1 ARG 30 9.184 -1.075 -15.910 231 HH12 ARG 30 1HH1 ARG 30 7.989 -1.343 -14.667 232 HH21 ARG 30 2HH2 ARG 30 10.005 -3.590 -12.961 233 HH22 ARG 30 1HH2 ARG 30 8.438 -2.767 -12.968 234 H ILE 31 H ILE 31 15.086 -6.380 -18.240 235 HA ILE 31 HA ILE 31 14.355 -8.737 -16.669 236 HB ILE 31 HB ILE 31 14.765 -10.022 -18.508 237 HG12 ILE 31 1HG1 ILE 31 16.265 -7.772 -19.878 238 HG13 ILE 31 2HG1 ILE 31 16.929 -9.279 -19.260 239 HG21 ILE 31 1HG2 ILE 31 13.611 -7.461 -19.667 240 HG22 ILE 31 2HG2 ILE 31 13.215 -9.132 -20.113 241 HG23 ILE 31 3HG2 ILE 31 12.747 -8.518 -18.528 242 HD11 ILE 31 3HD1 ILE 31 15.030 -8.993 -21.601 243 HD12 ILE 31 1HD1 ILE 31 16.719 -9.541 -21.609 244 HD13 ILE 31 2HD1 ILE 31 15.471 -10.549 -20.851 245 H HIS 32 H HIS 32 17.265 -6.977 -17.220 246 HA HIS 32 HA HIS 32 19.034 -9.185 -16.300 247 HB2 HIS 32 1HB HIS 32 19.725 -6.435 -17.387 248 HB3 HIS 32 2HB HIS 32 20.850 -7.741 -17.045 249 HD1 HIS 32 1HD HIS 32 20.105 -10.129 -18.635 250 HD2 HIS 32 2HD HIS 32 19.233 -6.223 -19.892 251 HE1 HIS 32 1HE HIS 32 19.850 -10.257 -21.160 252 H THR 33 H THR 33 17.934 -5.922 -15.301 253 HA THR 33 HA THR 33 19.577 -5.913 -12.872 254 HB THR 33 HB THR 33 18.367 -3.875 -12.287 255 HG1 THR 33 1HG THR 33 16.865 -3.031 -13.718 256 HG21 THR 33 3HG2 THR 33 19.143 -2.447 -14.099 257 HG22 THR 33 1HG2 THR 33 19.236 -3.830 -15.210 258 HG23 THR 33 2HG2 THR 33 20.327 -3.731 -13.810 259 H ASN 34 H ASN 34 18.576 -5.635 -10.692 260 HA ASN 34 HA ASN 34 16.768 -7.876 -10.211 261 HB2 ASN 34 1HB ASN 34 17.302 -7.540 -7.878 262 HB3 ASN 34 2HB ASN 34 18.768 -7.578 -8.844 263 HD21 ASN 34 1HD2 ASN 34 17.196 -5.888 -6.370 264 HD22 ASN 34 2HD2 ASN 34 18.138 -4.410 -6.485 265 H GLU 35 H GLU 35 14.684 -7.850 -9.797 266 HA GLU 35 HA GLU 35 13.333 -5.699 -8.419 267 HB2 GLU 35 1HB GLU 35 11.552 -5.361 -10.086 268 HB3 GLU 35 2HB GLU 35 13.108 -4.741 -10.613 269 HG2 GLU 35 1HG GLU 35 13.419 -6.594 -12.154 270 HG3 GLU 35 2HG GLU 35 12.005 -7.433 -11.500 271 H LYS 36 H LYS 36 10.937 -6.326 -8.107 272 HA LYS 36 HA LYS 36 10.923 -8.737 -6.663 273 HB2 LYS 36 1HB LYS 36 8.652 -6.954 -7.590 274 HB3 LYS 36 2HB LYS 36 8.438 -8.309 -6.476 275 HG2 LYS 36 1HG LYS 36 9.999 -7.301 -4.867 276 HG3 LYS 36 2HG LYS 36 10.303 -5.946 -5.972 277 HD2 LYS 36 1HD LYS 36 7.911 -5.300 -5.856 278 HD3 LYS 36 2HD LYS 36 7.607 -6.649 -4.742 279 HE2 LYS 36 1HE LYS 36 9.218 -5.687 -3.122 280 HE3 LYS 36 2HE LYS 36 9.536 -4.344 -4.227 281 HZ1 LYS 36 3HZ LYS 36 6.890 -4.938 -3.005 282 HZ2 LYS 36 1HZ LYS 36 7.203 -3.687 -4.009 283 HZ3 LYS 36 2HZ LYS 36 7.896 -3.742 -2.534 284 HA PRO 37 HA PRO 37 10.195 -11.462 -10.140 285 HB2 PRO 37 1HB PRO 37 10.466 -13.899 -8.916 286 HB3 PRO 37 2HB PRO 37 11.822 -12.780 -9.222 287 HG2 PRO 37 1HG PRO 37 10.247 -13.112 -6.657 288 HG3 PRO 37 2HG PRO 37 12.026 -13.092 -6.863 289 HD2 PRO 37 1HD PRO 37 10.645 -10.866 -6.129 290 HD3 PRO 37 2HD PRO 37 12.047 -10.767 -7.228 291 H TYR 38 H TYR 38 8.272 -12.021 -7.163 292 HA TYR 38 HA TYR 38 6.419 -13.768 -8.610 293 HB2 TYR 38 1HB TYR 38 6.433 -12.900 -5.709 294 HB3 TYR 38 2HB TYR 38 5.329 -14.060 -6.421 295 HD1 TYR 38 1HD TYR 38 6.389 -16.081 -7.733 296 HD2 TYR 38 2HD TYR 38 8.478 -13.691 -4.831 297 HE1 TYR 38 1HE TYR 38 8.069 -17.903 -7.440 298 HE2 TYR 38 2HE TYR 38 10.145 -15.518 -4.505 299 HH TYR 38 HH TYR 38 10.812 -17.618 -5.148 300 H LYS 39 H LYS 39 5.788 -12.274 -10.143 301 HA LYS 39 HA LYS 39 4.108 -9.960 -9.479 302 HB2 LYS 39 1HB LYS 39 4.968 -11.230 -12.094 303 HB3 LYS 39 2HB LYS 39 3.944 -9.790 -11.988 304 HG2 LYS 39 1HG LYS 39 5.672 -8.522 -10.885 305 HG3 LYS 39 2HG LYS 39 6.701 -9.951 -10.701 306 HD2 LYS 39 1HD LYS 39 6.885 -10.135 -13.163 307 HD3 LYS 39 2HD LYS 39 5.883 -8.676 -13.345 308 HE2 LYS 39 1HE LYS 39 7.554 -7.372 -12.047 309 HE3 LYS 39 2HE LYS 39 8.545 -8.821 -11.852 310 HZ1 LYS 39 3HZ LYS 39 9.326 -7.435 -13.683 311 HZ2 LYS 39 1HZ LYS 39 7.892 -7.551 -14.459 312 HZ3 LYS 39 2HZ LYS 39 8.829 -8.882 -14.267 313 H CYS 40 H CYS 40 2.000 -9.668 -9.870 314 HA CYS 40 HA CYS 40 0.207 -11.958 -9.883 315 HB2 CYS 40 1HB CYS 40 -0.186 -10.014 -8.524 316 HB3 CYS 40 2HB CYS 40 -0.212 -8.960 -9.955 317 HA PRO 41 HA PRO 41 -0.332 -11.800 -14.401 318 HB2 PRO 41 1HB PRO 41 -2.225 -13.719 -14.716 319 HB3 PRO 41 2HB PRO 41 -0.550 -14.109 -14.219 320 HG2 PRO 41 1HG PRO 41 -2.995 -13.815 -12.450 321 HG3 PRO 41 2HG PRO 41 -1.766 -15.115 -12.437 322 HD2 PRO 41 1HD PRO 41 -1.724 -12.917 -10.755 323 HD3 PRO 41 2HD PRO 41 -0.243 -13.781 -11.272 324 H GLN 42 H GLN 42 -2.614 -10.805 -12.013 325 HA GLN 42 HA GLN 42 -4.603 -9.903 -14.059 326 HB2 GLN 42 1HB GLN 42 -4.913 -10.650 -11.137 327 HB3 GLN 42 2HB GLN 42 -6.184 -9.894 -12.104 328 HG2 GLN 42 1HG GLN 42 -6.193 -11.773 -13.669 329 HG3 GLN 42 2HG GLN 42 -4.854 -12.542 -12.823 330 HE21 GLN 42 1HE2 GLN 42 -8.356 -11.934 -12.714 331 HE22 GLN 42 2HE2 GLN 42 -8.612 -12.937 -11.292 332 H CYS 43 H CYS 43 -2.451 -8.596 -11.496 333 HA CYS 43 HA CYS 43 -3.226 -5.913 -12.452 334 HB2 CYS 43 1HB CYS 43 -3.669 -5.051 -10.260 335 HB3 CYS 43 2HB CYS 43 -4.728 -6.423 -10.551 336 H SER 44 H SER 44 -1.813 -4.281 -10.966 337 HA SER 44 HA SER 44 0.874 -4.647 -11.904 338 HB2 SER 44 1HB SER 44 -0.224 -2.527 -10.026 339 HB3 SER 44 2HB SER 44 1.279 -2.435 -10.966 340 HG SER 44 HG SER 44 -0.455 -1.336 -11.999 341 H TYR 45 H TYR 45 -0.408 -6.054 -9.193 342 HA TYR 45 HA TYR 45 1.440 -5.570 -7.112 343 HB2 TYR 45 1HB TYR 45 -0.713 -6.578 -6.756 344 HB3 TYR 45 2HB TYR 45 -0.344 -7.914 -7.829 345 HD1 TYR 45 1HD TYR 45 1.413 -9.656 -7.071 346 HD2 TYR 45 2HD TYR 45 -0.062 -6.560 -4.446 347 HE1 TYR 45 1HE TYR 45 2.298 -10.894 -5.107 348 HE2 TYR 45 2HE TYR 45 0.793 -7.828 -2.483 349 HH TYR 45 HH TYR 45 1.870 -9.712 -1.762 350 H ALA 46 H ALA 46 3.297 -6.442 -6.484 351 HA ALA 46 HA ALA 46 4.322 -8.931 -7.586 352 HB1 ALA 46 1HB ALA 46 6.059 -6.430 -7.729 353 HB2 ALA 46 2HB ALA 46 6.490 -8.076 -8.258 354 HB3 ALA 46 3HB ALA 46 5.244 -7.160 -9.125 355 H SER 47 H SER 47 5.845 -9.976 -6.221 356 HA SER 47 HA SER 47 6.772 -8.587 -3.775 357 HB2 SER 47 1HB SER 47 4.543 -9.701 -3.300 358 HB3 SER 47 2HB SER 47 5.348 -11.260 -3.563 359 HG SER 47 HG SER 47 6.077 -9.225 -1.674 360 H ALA 48 H ALA 48 8.212 -10.014 -2.458 361 HA ALA 48 HA ALA 48 10.137 -11.500 -4.166 362 HB1 ALA 48 1HB ALA 48 10.442 -10.310 -1.383 363 HB2 ALA 48 2HB ALA 48 11.725 -11.061 -2.356 364 HB3 ALA 48 3HB ALA 48 10.972 -9.552 -2.903 365 H ILE 49 H ILE 49 7.502 -12.281 -2.281 366 HA ILE 49 HA ILE 49 8.614 -14.979 -1.614 367 HB ILE 49 HB ILE 49 6.663 -13.371 0.070 368 HG12 ILE 49 1HG1 ILE 49 9.588 -14.072 0.585 369 HG13 ILE 49 2HG1 ILE 49 8.944 -12.460 0.257 370 HG21 ILE 49 1HG2 ILE 49 6.260 -15.842 0.141 371 HG22 ILE 49 2HG2 ILE 49 7.959 -16.089 0.602 372 HG23 ILE 49 3HG2 ILE 49 6.830 -15.236 1.676 373 HD11 ILE 49 3HD1 ILE 49 9.339 -12.585 2.591 374 HD12 ILE 49 1HD1 ILE 49 7.579 -12.610 2.357 375 HD13 ILE 49 2HD1 ILE 49 8.462 -14.110 2.753 376 H LYS 50 H LYS 50 7.558 -16.610 -2.510 377 HA LYS 50 HA LYS 50 5.388 -16.230 -4.329 378 HB2 LYS 50 1HB LYS 50 7.235 -17.981 -4.367 379 HB3 LYS 50 2HB LYS 50 6.338 -18.872 -3.137 380 HG2 LYS 50 1HG LYS 50 4.409 -19.068 -4.681 381 HG3 LYS 50 2HG LYS 50 5.264 -18.092 -5.890 382 HD2 LYS 50 1HD LYS 50 7.079 -19.809 -5.955 383 HD3 LYS 50 2HD LYS 50 6.165 -20.816 -4.832 384 HE2 LYS 50 1HE LYS 50 5.175 -19.903 -7.576 385 HE3 LYS 50 2HE LYS 50 5.972 -21.447 -7.270 386 HZ1 LYS 50 3HZ LYS 50 4.155 -22.020 -5.749 387 HZ2 LYS 50 1HZ LYS 50 3.578 -21.714 -7.240 388 HZ3 LYS 50 2HZ LYS 50 3.391 -20.606 -6.060 389 H ALA 51 H ALA 51 5.393 -17.505 -1.005 390 HA ALA 51 HA ALA 51 2.602 -18.154 -0.894 391 HB1 ALA 51 1HB ALA 51 4.533 -17.354 1.335 392 HB2 ALA 51 2HB ALA 51 2.968 -18.166 1.543 393 HB3 ALA 51 3HB ALA 51 4.288 -18.999 0.701 394 H ASN 52 H ASN 52 4.297 -15.021 -0.505 395 HA ASN 52 HA ASN 52 1.983 -13.642 0.565 396 HB2 ASN 52 1HB ASN 52 4.417 -12.923 0.764 397 HB3 ASN 52 2HB ASN 52 4.341 -12.439 -0.935 398 HD21 ASN 52 1HD2 ASN 52 4.703 -10.255 -0.450 399 HD22 ASN 52 2HD2 ASN 52 3.532 -9.273 0.433 400 H LEU 53 H LEU 53 3.290 -14.109 -2.767 401 HA LEU 53 HA LEU 53 1.175 -12.760 -4.121 402 HB2 LEU 53 1HB LEU 53 3.241 -13.365 -5.246 403 HB3 LEU 53 2HB LEU 53 2.958 -15.079 -4.948 404 HG LEU 53 HG LEU 53 0.946 -15.007 -6.417 405 HD11 LEU 53 1HD1 LEU 53 0.393 -12.586 -6.244 406 HD12 LEU 53 2HD1 LEU 53 0.597 -13.101 -7.921 407 HD13 LEU 53 3HD1 LEU 53 1.895 -12.196 -7.115 408 HD21 LEU 53 3HD2 LEU 53 3.173 -15.670 -7.277 409 HD22 LEU 53 1HD2 LEU 53 3.451 -13.985 -7.781 410 HD23 LEU 53 2HD2 LEU 53 2.141 -14.927 -8.514 411 H ASN 54 H ASN 54 1.341 -16.146 -2.875 412 HA ASN 54 HA ASN 54 -1.192 -16.957 -3.916 413 HB2 ASN 54 1HB ASN 54 0.674 -18.389 -2.934 414 HB3 ASN 54 2HB ASN 54 0.105 -17.920 -1.333 415 HD21 ASN 54 1HD2 ASN 54 -0.325 -20.115 -3.919 416 HD22 ASN 54 2HD2 ASN 54 -1.807 -20.845 -3.316 417 H VAL 55 H VAL 55 -0.408 -15.254 -0.885 418 HA VAL 55 HA VAL 55 -3.141 -15.098 0.098 419 HB VAL 55 HB VAL 55 -0.627 -13.599 0.849 420 HG11 VAL 55 1HG1 VAL 55 -1.817 -13.013 2.966 421 HG12 VAL 55 2HG1 VAL 55 -2.477 -12.179 1.564 422 HG13 VAL 55 3HG1 VAL 55 -3.338 -13.582 2.241 423 HG21 VAL 55 3HG2 VAL 55 -0.658 -15.091 2.791 424 HG22 VAL 55 1HG2 VAL 55 -2.181 -15.829 2.230 425 HG23 VAL 55 2HG2 VAL 55 -0.685 -16.053 1.310 426 H HIS 56 H HIS 56 -1.347 -13.266 -2.212 427 HA HIS 56 HA HIS 56 -3.362 -11.110 -2.380 428 HB2 HIS 56 1HB HIS 56 -1.052 -10.550 -2.793 429 HB3 HIS 56 2HB HIS 56 -0.912 -11.789 -4.044 430 HD1 HIS 56 1HD HIS 56 -2.906 -8.524 -3.456 431 HD2 HIS 56 2HD HIS 56 -1.664 -11.178 -6.472 432 HE1 HIS 56 1HE HIS 56 -3.761 -7.547 -5.622 433 H LEU 57 H LEU 57 -2.517 -13.934 -4.464 434 HA LEU 57 HA LEU 57 -4.402 -13.393 -6.511 435 HB2 LEU 57 1HB LEU 57 -3.205 -15.937 -5.432 436 HB3 LEU 57 2HB LEU 57 -4.233 -15.944 -6.861 437 HG LEU 57 HG LEU 57 -1.671 -14.300 -6.681 438 HD11 LEU 57 1HD1 LEU 57 -0.648 -16.104 -8.017 439 HD12 LEU 57 2HD1 LEU 57 -2.142 -17.062 -7.875 440 HD13 LEU 57 3HD1 LEU 57 -1.171 -16.697 -6.429 441 HD21 LEU 57 3HD2 LEU 57 -1.824 -14.362 -9.138 442 HD22 LEU 57 1HD2 LEU 57 -3.193 -13.506 -8.423 443 HD23 LEU 57 2HD2 LEU 57 -3.402 -15.167 -9.030 444 H ARG 58 H ARG 58 -4.890 -15.119 -3.450 445 HA ARG 58 HA ARG 58 -7.609 -15.926 -3.903 446 HB2 ARG 58 1HB ARG 58 -7.706 -16.359 -1.543 447 HB3 ARG 58 2HB ARG 58 -6.169 -16.900 -2.227 448 HG2 ARG 58 1HG ARG 58 -5.053 -14.875 -1.354 449 HG3 ARG 58 2HG ARG 58 -6.583 -14.308 -0.673 450 HD2 ARG 58 1HD ARG 58 -5.314 -15.293 1.090 451 HD3 ARG 58 2HD ARG 58 -6.692 -16.359 0.718 452 HE ARG 58 HE ARG 58 -4.322 -17.165 -0.742 453 HH11 ARG 58 2HH1 ARG 58 -5.658 -17.310 2.503 454 HH12 ARG 58 1HH1 ARG 58 -4.732 -18.726 2.920 455 HH21 ARG 58 2HH2 ARG 58 -3.182 -18.994 -0.140 456 HH22 ARG 58 1HH2 ARG 58 -3.380 -19.645 1.465 457 H LYS 59 H LYS 59 -6.473 -12.763 -3.540 458 HA LYS 59 HA LYS 59 -9.052 -11.645 -2.589 459 HB2 LYS 59 1HB LYS 59 -6.660 -10.129 -3.699 460 HB3 LYS 59 2HB LYS 59 -8.032 -9.485 -2.797 461 HG2 LYS 59 1HG LYS 59 -7.332 -10.911 -0.828 462 HG3 LYS 59 2HG LYS 59 -5.871 -11.346 -1.737 463 HD2 LYS 59 1HD LYS 59 -5.213 -8.967 -1.850 464 HD3 LYS 59 2HD LYS 59 -6.673 -8.524 -0.931 465 HE2 LYS 59 1HE LYS 59 -5.914 -10.007 0.936 466 HE3 LYS 59 2HE LYS 59 -4.441 -10.377 0.035 467 HZ1 LYS 59 3HZ LYS 59 -5.235 -7.668 0.977 468 HZ2 LYS 59 1HZ LYS 59 -3.866 -7.998 0.147 469 HZ3 LYS 59 2HZ LYS 59 -4.077 -8.596 1.651 470 H HIS 60 H HIS 60 -7.636 -12.521 -5.626 471 HA HIS 60 HA HIS 60 -9.428 -10.850 -7.236 472 HB2 HIS 60 1HB HIS 60 -7.371 -12.957 -7.959 473 HB3 HIS 60 2HB HIS 60 -8.396 -12.165 -9.141 474 HD1 HIS 60 1HD HIS 60 -8.267 -9.313 -8.990 475 HD2 HIS 60 2HD HIS 60 -5.058 -11.728 -7.717 476 HE1 HIS 60 1HE HIS 60 -6.225 -7.816 -9.061 477 H THR 61 H THR 61 -10.548 -13.051 -5.359 478 HA THR 61 HA THR 61 -12.036 -14.807 -7.159 479 HB THR 61 HB THR 61 -13.149 -15.527 -5.027 480 HG1 THR 61 1HG THR 61 -12.194 -14.712 -3.112 481 HG21 THR 61 3HG2 THR 61 -11.109 -16.661 -5.817 482 HG22 THR 61 1HG2 THR 61 -11.177 -16.598 -4.049 483 HG23 THR 61 2HG2 THR 61 -10.101 -15.497 -4.936 484 H GLY 62 H GLY 62 -12.418 -11.628 -6.804 485 HA2 GLY 62 1HA GLY 62 -15.253 -11.300 -6.278 486 HA3 GLY 62 2HA GLY 62 -14.123 -10.094 -6.872 487 H GLU 63 H GLU 63 -15.248 -9.218 -8.545 488 HA GLU 63 HA GLU 63 -17.091 -10.575 -10.187 489 HB2 GLU 63 1HB GLU 63 -15.711 -7.880 -10.474 490 HB3 GLU 63 2HB GLU 63 -16.990 -8.444 -11.555 491 HG2 GLU 63 1HG GLU 63 -18.548 -8.683 -9.666 492 HG3 GLU 63 2HG GLU 63 -17.303 -8.148 -8.541 493 H LYS 64 H LYS 64 -17.184 -10.944 -12.247 494 HA LYS 64 HA LYS 64 -14.701 -11.567 -13.805 495 HB2 LYS 64 1HB LYS 64 -15.951 -13.281 -14.972 496 HB3 LYS 64 2HB LYS 64 -15.776 -13.602 -13.245 497 HG2 LYS 64 1HG LYS 64 -18.058 -13.225 -12.786 498 HG3 LYS 64 2HG LYS 64 -18.305 -12.289 -14.270 499 HD2 LYS 64 1HD LYS 64 -19.330 -14.463 -14.530 500 HD3 LYS 64 2HD LYS 64 -17.961 -14.249 -15.632 501 HE2 LYS 64 1HE LYS 64 -16.528 -15.602 -14.094 502 HE3 LYS 64 2HE LYS 64 -17.928 -15.858 -13.045 503 HZ1 LYS 64 3HZ LYS 64 -17.731 -16.740 -15.889 504 HZ2 LYS 64 1HZ LYS 64 -19.022 -16.991 -14.912 505 HZ3 LYS 64 2HZ LYS 64 -17.599 -17.717 -14.585 506 H PHE 65 H PHE 65 -14.799 -11.415 -16.075 507 HA PHE 65 HA PHE 65 -16.452 -9.144 -17.093 508 HB2 PHE 65 1HB PHE 65 -13.861 -10.226 -18.233 509 HB3 PHE 65 2HB PHE 65 -14.678 -8.720 -18.641 510 HD1 PHE 65 2HD PHE 65 -14.843 -6.884 -16.828 511 HD2 PHE 65 1HD PHE 65 -12.257 -10.313 -16.481 512 HE1 PHE 65 2HE PHE 65 -13.521 -5.714 -15.078 513 HE2 PHE 65 1HE PHE 65 -10.927 -9.135 -14.737 514 HZ PHE 65 HZ PHE 65 -11.554 -6.831 -14.044 515 H ALA 66 H ALA 66 -17.342 -9.332 -19.263 516 HA ALA 66 HA ALA 66 -17.725 -12.134 -20.225 517 HB1 ALA 66 1HB ALA 66 -19.908 -10.066 -19.750 518 HB2 ALA 66 2HB ALA 66 -20.124 -11.705 -20.402 519 HB3 ALA 66 3HB ALA 66 -19.586 -11.481 -18.725 520 H CYS 67 H CYS 67 -18.009 -12.463 -22.358 521 HA CYS 67 HA CYS 67 -17.035 -10.531 -24.236 522 HB2 CYS 67 1HB CYS 67 -16.717 -12.964 -24.336 523 HB3 CYS 67 2HB CYS 67 -18.448 -13.197 -24.617 524 H ASP 68 H ASP 68 -18.047 -9.451 -25.862 525 HA ASP 68 HA ASP 68 -20.876 -8.685 -25.425 526 HB2 ASP 68 1HB ASP 68 -19.025 -6.997 -25.679 527 HB3 ASP 68 2HB ASP 68 -18.832 -7.527 -27.348 528 H TYR 69 H TYR 69 -19.197 -10.940 -27.286 529 HA TYR 69 HA TYR 69 -21.174 -10.897 -29.543 530 HB2 TYR 69 1HB TYR 69 -18.288 -11.778 -29.512 531 HB3 TYR 69 2HB TYR 69 -19.341 -11.746 -30.918 532 HD1 TYR 69 1HD TYR 69 -20.118 -9.518 -31.839 533 HD2 TYR 69 2HD TYR 69 -17.116 -9.837 -28.755 534 HE1 TYR 69 1HE TYR 69 -19.375 -7.194 -32.323 535 HE2 TYR 69 2HE TYR 69 -16.375 -7.503 -29.242 536 HH TYR 69 HH TYR 69 -17.918 -5.507 -31.787 537 H CYS 70 H CYS 70 -19.888 -12.915 -27.005 538 HA CYS 70 HA CYS 70 -21.699 -15.069 -27.797 539 HB2 CYS 70 1HB CYS 70 -20.114 -16.845 -27.758 540 HB3 CYS 70 2HB CYS 70 -19.604 -15.660 -28.943 541 H SER 71 H SER 71 -21.072 -16.973 -25.964 542 HA SER 71 HA SER 71 -22.004 -15.781 -23.456 543 HB2 SER 71 1HB SER 71 -22.358 -18.143 -22.795 544 HB3 SER 71 2HB SER 71 -23.154 -17.712 -24.315 545 HG SER 71 HG SER 71 -22.042 -19.727 -24.449 546 H PHE 72 H PHE 72 -18.910 -16.162 -24.585 547 HA PHE 72 HA PHE 72 -17.540 -17.494 -22.489 548 HB2 PHE 72 1HB PHE 72 -16.576 -17.047 -24.680 549 HB3 PHE 72 2HB PHE 72 -16.665 -15.316 -24.403 550 HD1 PHE 72 1HD PHE 72 -15.028 -18.435 -23.086 551 HD2 PHE 72 2HD PHE 72 -14.850 -14.146 -23.473 552 HE1 PHE 72 1HE PHE 72 -12.726 -18.440 -22.145 553 HE2 PHE 72 2HE PHE 72 -12.542 -14.156 -22.559 554 HZ PHE 72 HZ PHE 72 -11.485 -16.299 -21.874 555 H THR 73 H THR 73 -16.475 -16.860 -20.659 556 HA THR 73 HA THR 73 -16.487 -14.030 -19.837 557 HB THR 73 HB THR 73 -17.005 -14.522 -17.528 558 HG1 THR 73 1HG THR 73 -17.718 -17.101 -18.453 559 HG21 THR 73 3HG2 THR 73 -19.403 -14.838 -17.657 560 HG22 THR 73 1HG2 THR 73 -19.273 -15.493 -19.305 561 HG23 THR 73 2HG2 THR 73 -18.859 -13.798 -18.980 562 H CYS 74 H CYS 74 -14.917 -13.475 -18.256 563 HA CYS 74 HA CYS 74 -12.612 -15.336 -17.964 564 HB2 CYS 74 1HB CYS 74 -12.525 -14.060 -20.169 565 HB3 CYS 74 2HB CYS 74 -12.417 -12.567 -19.224 566 HG CYS 74 HG CYS 74 -10.040 -12.850 -19.782 567 H LEU 75 H LEU 75 -10.998 -14.589 -16.465 568 HA LEU 75 HA LEU 75 -11.951 -12.620 -14.434 569 HB2 LEU 75 1HB LEU 75 -9.765 -14.705 -14.170 570 HB3 LEU 75 2HB LEU 75 -10.407 -13.667 -12.898 571 HG LEU 75 HG LEU 75 -11.890 -15.919 -14.311 572 HD11 LEU 75 1HD1 LEU 75 -10.221 -16.616 -12.630 573 HD12 LEU 75 2HD1 LEU 75 -11.875 -16.961 -12.096 574 HD13 LEU 75 3HD1 LEU 75 -10.998 -15.568 -11.420 575 HD21 LEU 75 3HD2 LEU 75 -13.715 -15.497 -12.671 576 HD22 LEU 75 1HD2 LEU 75 -13.516 -14.163 -13.808 577 HD23 LEU 75 2HD2 LEU 75 -12.888 -14.010 -12.151 578 H SER 76 H SER 76 -10.284 -12.350 -17.148 579 HA SER 76 HA SER 76 -8.861 -9.953 -16.144 580 HB2 SER 76 1HB SER 76 -7.040 -11.490 -16.345 581 HB3 SER 76 2HB SER 76 -7.617 -12.081 -17.915 582 HG SER 76 HG SER 76 -5.864 -10.428 -17.899 583 H LYS 77 H LYS 77 -9.562 -8.243 -17.234 584 HA LYS 77 HA LYS 77 -11.074 -8.463 -19.690 585 HB2 LYS 77 1HB LYS 77 -11.105 -5.978 -19.645 586 HB3 LYS 77 2HB LYS 77 -11.776 -6.807 -18.260 587 HG2 LYS 77 1HG LYS 77 -10.670 -4.900 -17.460 588 HG3 LYS 77 2HG LYS 77 -9.735 -6.288 -16.928 589 HD2 LYS 77 1HD LYS 77 -8.022 -5.832 -18.630 590 HD3 LYS 77 2HD LYS 77 -9.032 -4.549 -19.340 591 HE2 LYS 77 1HE LYS 77 -8.917 -3.303 -17.188 592 HE3 LYS 77 2HE LYS 77 -7.912 -4.583 -16.498 593 HZ1 LYS 77 3HZ LYS 77 -6.223 -4.070 -18.185 594 HZ2 LYS 77 1HZ LYS 77 -6.564 -2.736 -17.314 595 HZ3 LYS 77 2HZ LYS 77 -7.157 -2.889 -18.823 596 H GLY 78 H GLY 78 -7.694 -8.279 -19.130 597 HA2 GLY 78 1HA GLY 78 -6.913 -7.295 -21.775 598 HA3 GLY 78 2HA GLY 78 -5.894 -8.128 -20.590 599 H HIS 79 H HIS 79 -7.156 -10.545 -20.210 600 HA HIS 79 HA HIS 79 -6.599 -11.992 -22.649 601 HB2 HIS 79 1HB HIS 79 -6.267 -12.872 -20.350 602 HB3 HIS 79 2HB HIS 79 -8.011 -12.932 -20.134 603 HD1 HIS 79 1HD HIS 79 -5.156 -14.804 -21.819 604 HD2 HIS 79 2HD HIS 79 -9.359 -14.850 -21.616 605 HE1 HIS 79 1HE HIS 79 -5.897 -17.025 -22.826 606 H LEU 80 H LEU 80 -9.653 -10.808 -21.181 607 HA LEU 80 HA LEU 80 -11.406 -12.012 -23.084 608 HB2 LEU 80 1HB LEU 80 -12.152 -10.970 -20.976 609 HB3 LEU 80 2HB LEU 80 -11.647 -9.388 -21.577 610 HG LEU 80 HG LEU 80 -13.341 -9.468 -23.358 611 HD11 LEU 80 1HD1 LEU 80 -13.539 -11.890 -23.747 612 HD12 LEU 80 2HD1 LEU 80 -15.100 -11.216 -23.308 613 HD13 LEU 80 3HD1 LEU 80 -14.170 -12.120 -22.094 614 HD21 LEU 80 3HD2 LEU 80 -14.543 -10.133 -20.653 615 HD22 LEU 80 1HD2 LEU 80 -15.276 -9.175 -21.960 616 HD23 LEU 80 2HD2 LEU 80 -13.865 -8.545 -21.100 617 H LYS 81 H LYS 81 -9.601 -8.879 -23.255 618 HA LYS 81 HA LYS 81 -10.611 -8.115 -25.827 619 HB2 LYS 81 1HB LYS 81 -9.370 -6.637 -24.250 620 HB3 LYS 81 2HB LYS 81 -7.872 -7.499 -24.639 621 HG2 LYS 81 1HG LYS 81 -8.110 -6.854 -27.022 622 HG3 LYS 81 2HG LYS 81 -9.618 -6.009 -26.655 623 HD2 LYS 81 1HD LYS 81 -6.877 -5.310 -25.505 624 HD3 LYS 81 2HD LYS 81 -7.641 -4.511 -26.886 625 HE2 LYS 81 1HE LYS 81 -9.560 -3.849 -25.428 626 HE3 LYS 81 2HE LYS 81 -8.741 -4.576 -24.040 627 HZ1 LYS 81 3HZ LYS 81 -6.913 -2.991 -24.379 628 HZ2 LYS 81 1HZ LYS 81 -8.318 -2.190 -24.162 629 HZ3 LYS 81 2HZ LYS 81 -7.679 -2.318 -25.657 630 H VAL 82 H VAL 82 -7.796 -10.165 -24.969 631 HA VAL 82 HA VAL 82 -7.020 -10.733 -27.675 632 HB VAL 82 HB VAL 82 -6.613 -12.362 -25.139 633 HG11 VAL 82 1HG1 VAL 82 -4.760 -13.463 -26.397 634 HG12 VAL 82 2HG1 VAL 82 -6.348 -13.876 -27.041 635 HG13 VAL 82 3HG1 VAL 82 -5.336 -12.679 -27.888 636 HG21 VAL 82 3HG2 VAL 82 -4.745 -10.518 -26.700 637 HG22 VAL 82 1HG2 VAL 82 -5.514 -10.120 -25.153 638 HG23 VAL 82 2HG2 VAL 82 -4.335 -11.430 -25.231 639 H HIS 83 H HIS 83 -9.382 -12.471 -25.553 640 HA HIS 83 HA HIS 83 -10.148 -14.454 -27.450 641 HB2 HIS 83 1HB HIS 83 -10.937 -14.678 -25.224 642 HB3 HIS 83 2HB HIS 83 -11.627 -13.067 -25.197 643 HD1 HIS 83 1HD HIS 83 -12.481 -16.579 -26.409 644 HD2 HIS 83 2HD HIS 83 -14.040 -12.682 -26.306 645 HE1 HIS 83 1HE HIS 83 -14.912 -16.790 -27.100 646 H ILE 84 H ILE 84 -11.433 -11.095 -27.054 647 HA ILE 84 HA ILE 84 -13.288 -11.308 -29.225 648 HB ILE 84 HB ILE 84 -12.005 -8.883 -27.935 649 HG12 ILE 84 1HG1 ILE 84 -14.839 -10.014 -27.693 650 HG13 ILE 84 2HG1 ILE 84 -13.556 -10.393 -26.562 651 HG21 ILE 84 1HG2 ILE 84 -13.799 -7.550 -29.042 652 HG22 ILE 84 2HG2 ILE 84 -12.722 -8.265 -30.223 653 HG23 ILE 84 3HG2 ILE 84 -14.317 -8.997 -29.935 654 HD11 ILE 84 3HD1 ILE 84 -14.754 -7.643 -27.012 655 HD12 ILE 84 1HD1 ILE 84 -14.905 -8.683 -25.591 656 HD13 ILE 84 2HD1 ILE 84 -13.330 -7.975 -25.994 657 H GLU 85 H GLU 85 -9.893 -10.100 -29.232 658 HA GLU 85 HA GLU 85 -9.901 -9.497 -32.023 659 HB2 GLU 85 1HB GLU 85 -7.587 -10.142 -30.155 660 HB3 GLU 85 2HB GLU 85 -7.408 -9.618 -31.833 661 HG2 GLU 85 1HG GLU 85 -8.877 -7.591 -31.196 662 HG3 GLU 85 2HG GLU 85 -8.550 -8.014 -29.526 663 H ARG 86 H ARG 86 -9.151 -12.576 -30.376 664 HA ARG 86 HA ARG 86 -8.241 -13.845 -32.873 665 HB2 ARG 86 1HB ARG 86 -8.678 -14.887 -30.049 666 HB3 ARG 86 2HB ARG 86 -8.150 -15.899 -31.399 667 HG2 ARG 86 1HG ARG 86 -6.186 -14.424 -31.760 668 HG3 ARG 86 2HG ARG 86 -6.654 -13.455 -30.352 669 HD2 ARG 86 1HD ARG 86 -6.470 -15.453 -28.910 670 HD3 ARG 86 2HD ARG 86 -6.035 -16.444 -30.300 671 HE ARG 86 HE ARG 86 -4.329 -14.565 -28.834 672 HH11 ARG 86 2HH1 ARG 86 -4.576 -16.333 -31.857 673 HH12 ARG 86 1HH1 ARG 86 -2.869 -16.192 -32.175 674 HH21 ARG 86 1HH2 ARG 86 -2.169 -14.425 -29.314 675 HH22 ARG 86 2HH2 ARG 86 -1.552 -15.144 -30.770 676 H VAL 87 H VAL 87 -11.234 -13.982 -30.956 677 HA VAL 87 HA VAL 87 -12.253 -16.175 -32.672 678 HB VAL 87 HB VAL 87 -13.441 -14.981 -30.146 679 HG11 VAL 87 1HG1 VAL 87 -14.092 -17.552 -31.648 680 HG12 VAL 87 2HG1 VAL 87 -14.729 -17.098 -30.053 681 HG13 VAL 87 3HG1 VAL 87 -15.154 -16.138 -31.468 682 HG21 VAL 87 3HG2 VAL 87 -11.753 -17.492 -30.590 683 HG22 VAL 87 1HG2 VAL 87 -11.269 -16.059 -29.660 684 HG23 VAL 87 2HG2 VAL 87 -12.585 -17.077 -29.078 685 H HIS 88 H HIS 88 -13.062 -12.767 -31.976 686 HA HIS 88 HA HIS 88 -15.403 -12.998 -33.829 687 HB2 HIS 88 1HB HIS 88 -14.892 -11.002 -31.610 688 HB3 HIS 88 2HB HIS 88 -16.343 -11.124 -32.605 689 HD1 HIS 88 1HD HIS 88 -17.469 -13.842 -32.401 690 HD2 HIS 88 2HD HIS 88 -15.124 -12.212 -29.326 691 HE1 HIS 88 1HE HIS 88 -18.009 -15.198 -30.324 692 H LYS 89 H LYS 89 -12.524 -11.007 -33.189 693 HA LYS 89 HA LYS 89 -12.874 -9.539 -35.753 694 HB2 LYS 89 1HB LYS 89 -11.941 -8.712 -33.331 695 HB3 LYS 89 2HB LYS 89 -10.425 -9.247 -34.071 696 HG2 LYS 89 1HG LYS 89 -10.882 -7.721 -36.017 697 HG3 LYS 89 2HG LYS 89 -12.402 -7.256 -35.244 698 HD2 LYS 89 1HD LYS 89 -10.763 -5.542 -34.844 699 HD3 LYS 89 2HD LYS 89 -11.158 -6.349 -33.316 700 HE2 LYS 89 1HE LYS 89 -9.082 -7.667 -33.443 701 HE3 LYS 89 2HE LYS 89 -8.695 -6.977 -35.022 702 HZ1 LYS 89 3HZ LYS 89 -9.033 -5.274 -32.618 703 HZ2 LYS 89 1HZ LYS 89 -8.300 -4.875 -34.025 704 HZ3 LYS 89 2HZ LYS 89 -7.596 -5.941 -32.979 705 H LYS 90 H LYS 90 -10.438 -9.278 -36.720 706 HA LYS 90 HA LYS 90 -9.123 -11.927 -37.064 707 HB2 LYS 90 1HB LYS 90 -10.518 -11.416 -39.051 708 HB3 LYS 90 2HB LYS 90 -9.645 -9.894 -39.274 709 HG2 LYS 90 1HG LYS 90 -7.574 -11.089 -39.764 710 HG3 LYS 90 2HG LYS 90 -8.293 -12.628 -39.269 711 HD2 LYS 90 1HD LYS 90 -8.173 -12.519 -41.684 712 HD3 LYS 90 2HD LYS 90 -9.865 -12.532 -41.168 713 HE2 LYS 90 1HE LYS 90 -9.972 -10.061 -41.482 714 HE3 LYS 90 2HE LYS 90 -8.273 -10.052 -41.977 715 HZ1 LYS 90 3HZ LYS 90 -10.462 -11.472 -43.408 716 HZ2 LYS 90 1HZ LYS 90 -8.895 -11.463 -43.871 717 HZ3 LYS 90 2HZ LYS 90 -9.765 -10.083 -43.899 718 H ILE 91 H ILE 91 -6.880 -11.843 -37.314 719 HA ILE 91 HA ILE 91 -5.559 -9.307 -36.424 720 HB ILE 91 HB ILE 91 -4.758 -12.181 -35.849 721 HG12 ILE 91 1HG1 ILE 91 -5.876 -9.995 -34.026 722 HG13 ILE 91 2HG1 ILE 91 -6.732 -11.443 -34.553 723 HG21 ILE 91 1HG2 ILE 91 -3.470 -9.563 -34.933 724 HG22 ILE 91 2HG2 ILE 91 -2.978 -11.197 -34.438 725 HG23 ILE 91 3HG2 ILE 91 -2.772 -10.710 -36.104 726 HD11 ILE 91 3HD1 ILE 91 -5.033 -12.853 -33.365 727 HD12 ILE 91 1HD1 ILE 91 -4.364 -11.357 -32.664 728 HD13 ILE 91 2HD1 ILE 91 -6.033 -11.823 -32.320 729 H LYS 92 H LYS 92 -3.848 -8.554 -37.530 730 HA LYS 92 HA LYS 92 -2.796 -10.006 -39.918 731 HB2 LYS 92 1HB LYS 92 -3.819 -7.136 -39.815 732 HB3 LYS 92 2HB LYS 92 -2.820 -7.800 -41.112 733 HG2 LYS 92 1HG LYS 92 -4.565 -9.475 -41.641 734 HG3 LYS 92 2HG LYS 92 -5.564 -8.878 -40.316 735 HD2 LYS 92 1HD LYS 92 -6.384 -7.986 -42.426 736 HD3 LYS 92 2HD LYS 92 -5.802 -6.700 -41.377 737 HE2 LYS 92 1HE LYS 92 -5.124 -6.207 -43.626 738 HE3 LYS 92 2HE LYS 92 -3.686 -6.575 -42.679 739 HZ1 LYS 92 3HZ LYS 92 -3.692 -8.809 -43.678 740 HZ2 LYS 92 1HZ LYS 92 -3.651 -7.675 -44.847 741 HZ3 LYS 92 2HZ LYS 92 -5.042 -8.464 -44.537 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -19.174 25.844 -17.407 2 H2 GLY 1 2H GLY 1 -20.683 25.681 -16.795 3 H3 GLY 1 3H GLY 1 -19.654 24.407 -16.783 4 HA2 GLY 1 1HA GLY 1 -19.824 25.347 -14.575 5 HA3 GLY 1 2HA GLY 1 -18.185 25.499 -15.233 6 H SER 2 H SER 2 -19.577 27.120 -13.181 7 HA SER 2 HA SER 2 -18.990 29.809 -14.252 8 HB2 SER 2 1HB SER 2 -21.115 30.730 -13.383 9 HB3 SER 2 2HB SER 2 -21.361 29.595 -14.716 10 HG SER 2 HG SER 2 -22.824 29.228 -12.982 11 H SER 3 H SER 3 -18.913 31.458 -12.569 12 HA SER 3 HA SER 3 -17.965 32.297 -10.703 13 HB2 SER 3 1HB SER 3 -19.798 30.316 -9.328 14 HB3 SER 3 2HB SER 3 -19.099 31.779 -8.607 15 HG SER 3 HG SER 3 -21.231 32.129 -9.392 16 H GLY 4 H GLY 4 -16.330 30.192 -11.821 17 HA2 GLY 4 1HA GLY 4 -14.287 30.008 -9.857 18 HA3 GLY 4 2HA GLY 4 -15.170 28.480 -9.874 19 H SER 5 H SER 5 -12.723 28.076 -10.442 20 HA SER 5 HA SER 5 -12.556 27.521 -13.345 21 HB2 SER 5 1HB SER 5 -10.244 28.356 -13.462 22 HB3 SER 5 2HB SER 5 -11.401 29.648 -13.107 23 HG SER 5 HG SER 5 -9.539 29.769 -11.769 24 H SER 6 H SER 6 -10.866 25.965 -13.897 25 HA SER 6 HA SER 6 -10.999 23.671 -12.221 26 HB2 SER 6 1HB SER 6 -9.183 24.181 -14.605 27 HB3 SER 6 2HB SER 6 -9.583 22.601 -13.904 28 HG SER 6 HG SER 6 -10.898 23.111 -15.729 29 H GLY 7 H GLY 7 -9.549 22.600 -10.961 30 HA2 GLY 7 1HA GLY 7 -7.234 23.996 -9.830 31 HA3 GLY 7 2HA GLY 7 -7.825 22.394 -9.408 32 H LYS 8 H LYS 8 -5.253 22.487 -9.435 33 HA LYS 8 HA LYS 8 -3.995 21.893 -12.003 34 HB2 LYS 8 1HB LYS 8 -2.828 22.988 -10.107 35 HB3 LYS 8 2HB LYS 8 -2.957 21.500 -9.161 36 HG2 LYS 8 1HG LYS 8 -1.541 20.302 -10.740 37 HG3 LYS 8 2HG LYS 8 -1.530 21.671 -11.858 38 HD2 LYS 8 1HD LYS 8 -0.374 21.742 -9.035 39 HD3 LYS 8 2HD LYS 8 0.561 21.387 -10.496 40 HE2 LYS 8 1HE LYS 8 -0.078 23.604 -11.442 41 HE3 LYS 8 2HE LYS 8 -0.958 23.979 -9.955 42 HZ1 LYS 8 3HZ LYS 8 1.148 23.801 -8.739 43 HZ2 LYS 8 1HZ LYS 8 1.276 24.920 -9.917 44 HZ3 LYS 8 2HZ LYS 8 1.963 23.456 -10.115 45 H ILE 9 H ILE 9 -3.166 19.952 -12.715 46 HA ILE 9 HA ILE 9 -4.437 17.449 -11.689 47 HB ILE 9 HB ILE 9 -4.307 18.394 -14.581 48 HG12 ILE 9 1HG1 ILE 9 -6.710 18.005 -12.730 49 HG13 ILE 9 2HG1 ILE 9 -6.059 19.558 -13.246 50 HG21 ILE 9 1HG2 ILE 9 -3.996 15.967 -14.450 51 HG22 ILE 9 2HG2 ILE 9 -5.427 15.822 -13.395 52 HG23 ILE 9 3HG2 ILE 9 -5.578 16.327 -15.094 53 HD11 ILE 9 3HD1 ILE 9 -6.574 18.979 -15.620 54 HD12 ILE 9 1HD1 ILE 9 -7.451 17.544 -15.022 55 HD13 ILE 9 2HD1 ILE 9 -7.981 19.165 -14.554 56 H PHE 10 H PHE 10 -3.242 15.587 -11.903 57 HA PHE 10 HA PHE 10 -0.368 15.883 -12.696 58 HB2 PHE 10 1HB PHE 10 -1.544 14.376 -10.329 59 HB3 PHE 10 2HB PHE 10 0.157 14.490 -10.752 60 HD1 PHE 10 1HD PHE 10 -2.740 16.319 -9.359 61 HD2 PHE 10 2HD PHE 10 1.448 16.547 -10.351 62 HE1 PHE 10 1HE PHE 10 -2.539 18.396 -8.009 63 HE2 PHE 10 2HE PHE 10 1.649 18.627 -9.013 64 HZ PHE 10 HZ PHE 10 -0.330 19.536 -7.811 65 H THR 11 H THR 11 0.523 14.211 -13.902 66 HA THR 11 HA THR 11 -1.278 11.937 -14.628 67 HB THR 11 HB THR 11 0.358 13.632 -16.539 68 HG1 THR 11 1HG THR 11 -1.620 14.469 -17.161 69 HG21 THR 11 3HG2 THR 11 -1.035 12.520 -18.270 70 HG22 THR 11 1HG2 THR 11 -1.766 11.498 -17.012 71 HG23 THR 11 2HG2 THR 11 -0.031 11.359 -17.390 72 H CYS 12 H CYS 12 -0.389 9.988 -14.889 73 HA CYS 12 HA CYS 12 2.334 9.444 -14.080 74 HB2 CYS 12 1HB CYS 12 0.463 8.001 -13.537 75 HB3 CYS 12 2HB CYS 12 0.130 7.724 -15.262 76 H GLU 13 H GLU 13 4.104 9.070 -15.254 77 HA GLU 13 HA GLU 13 4.053 9.579 -18.161 78 HB2 GLU 13 1HB GLU 13 6.426 9.774 -18.030 79 HB3 GLU 13 2HB GLU 13 5.695 10.722 -16.739 80 HG2 GLU 13 1HG GLU 13 6.216 8.881 -15.120 81 HG3 GLU 13 2HG GLU 13 6.989 7.977 -16.426 82 H TYR 14 H TYR 14 3.768 6.814 -16.252 83 HA TYR 14 HA TYR 14 5.137 5.036 -18.231 84 HB2 TYR 14 1HB TYR 14 4.182 4.518 -15.414 85 HB3 TYR 14 2HB TYR 14 4.994 3.352 -16.441 86 HD1 TYR 14 2HD TYR 14 7.395 3.773 -17.159 87 HD2 TYR 14 1HD TYR 14 5.420 6.093 -14.104 88 HE1 TYR 14 2HE TYR 14 9.610 4.498 -16.281 89 HE2 TYR 14 1HE TYR 14 7.644 6.808 -13.218 90 HH TYR 14 HH TYR 14 10.721 5.728 -14.699 91 H CYS 15 H CYS 15 1.931 5.642 -16.801 92 HA CYS 15 HA CYS 15 0.769 3.811 -18.830 93 HB2 CYS 15 1HB CYS 15 -0.735 2.816 -17.293 94 HB3 CYS 15 2HB CYS 15 0.923 2.563 -16.757 95 H ASN 16 H ASN 16 0.877 6.913 -18.076 96 HA ASN 16 HA ASN 16 -0.321 8.737 -18.522 97 HB2 ASN 16 1HB ASN 16 -0.143 7.546 -20.728 98 HB3 ASN 16 2HB ASN 16 -1.811 7.011 -20.514 99 HD21 ASN 16 1HD2 ASN 16 0.148 10.062 -20.410 100 HD22 ASN 16 2HD2 ASN 16 -1.075 11.006 -21.246 101 H LYS 17 H LYS 17 -1.615 6.800 -16.471 102 HA LYS 17 HA LYS 17 -4.374 7.611 -16.255 103 HB2 LYS 17 1HB LYS 17 -2.301 6.668 -14.247 104 HB3 LYS 17 2HB LYS 17 -3.967 7.068 -13.779 105 HG2 LYS 17 1HG LYS 17 -4.859 5.345 -15.273 106 HG3 LYS 17 2HG LYS 17 -3.220 4.999 -15.864 107 HD2 LYS 17 1HD LYS 17 -2.569 4.500 -13.444 108 HD3 LYS 17 2HD LYS 17 -4.267 4.660 -13.009 109 HE2 LYS 17 1HE LYS 17 -3.570 2.339 -13.230 110 HE3 LYS 17 2HE LYS 17 -4.854 2.737 -14.379 111 HZ1 LYS 17 3HZ LYS 17 -2.909 1.429 -15.318 112 HZ2 LYS 17 1HZ LYS 17 -1.982 2.786 -15.160 113 HZ3 LYS 17 2HZ LYS 17 -3.271 2.790 -16.145 114 H VAL 18 H VAL 18 -5.316 9.096 -14.951 115 HA VAL 18 HA VAL 18 -3.733 11.582 -14.405 116 HB VAL 18 HB VAL 18 -6.616 11.371 -15.344 117 HG11 VAL 18 1HG1 VAL 18 -6.261 13.377 -13.958 118 HG12 VAL 18 2HG1 VAL 18 -4.788 13.763 -14.883 119 HG13 VAL 18 3HG1 VAL 18 -6.387 13.840 -15.654 120 HG21 VAL 18 3HG2 VAL 18 -5.764 12.410 -17.433 121 HG22 VAL 18 1HG2 VAL 18 -4.102 12.280 -16.820 122 HG23 VAL 18 2HG2 VAL 18 -5.048 10.820 -17.180 123 H PHE 19 H PHE 19 -3.917 12.565 -12.516 124 HA PHE 19 HA PHE 19 -5.769 11.535 -10.419 125 HB2 PHE 19 1HB PHE 19 -2.792 12.108 -10.131 126 HB3 PHE 19 2HB PHE 19 -3.877 11.586 -8.851 127 HD1 PHE 19 2HD PHE 19 -4.734 9.247 -8.776 128 HD2 PHE 19 1HD PHE 19 -1.968 10.534 -11.820 129 HE1 PHE 19 2HE PHE 19 -4.362 6.882 -9.440 130 HE2 PHE 19 1HE PHE 19 -1.584 8.169 -12.468 131 HZ PHE 19 HZ PHE 19 -2.823 6.335 -11.318 132 H LYS 20 H LYS 20 -6.452 13.008 -8.896 133 HA LYS 20 HA LYS 20 -6.478 15.809 -9.721 134 HB2 LYS 20 1HB LYS 20 -7.646 14.440 -7.269 135 HB3 LYS 20 2HB LYS 20 -7.998 16.091 -7.791 136 HG2 LYS 20 1HG LYS 20 -8.891 15.177 -9.961 137 HG3 LYS 20 2HG LYS 20 -8.689 13.543 -9.319 138 HD2 LYS 20 1HD LYS 20 -10.498 15.723 -8.198 139 HD3 LYS 20 2HD LYS 20 -11.001 14.271 -9.079 140 HE2 LYS 20 1HE LYS 20 -9.994 12.866 -7.245 141 HE3 LYS 20 2HE LYS 20 -9.620 14.350 -6.359 142 HZ1 LYS 20 3HZ LYS 20 -12.063 14.819 -6.378 143 HZ2 LYS 20 1HZ LYS 20 -11.658 13.446 -5.565 144 HZ3 LYS 20 2HZ LYS 20 -12.326 13.318 -7.021 145 H PHE 21 H PHE 21 -4.474 14.042 -7.546 146 HA PHE 21 HA PHE 21 -3.418 16.555 -6.332 147 HB2 PHE 21 1HB PHE 21 -3.868 13.997 -4.781 148 HB3 PHE 21 2HB PHE 21 -3.439 15.581 -4.162 149 HD1 PHE 21 2HD PHE 21 -5.256 17.514 -4.701 150 HD2 PHE 21 1HD PHE 21 -6.083 13.283 -4.549 151 HE1 PHE 21 2HE PHE 21 -7.661 17.994 -4.301 152 HE2 PHE 21 1HE PHE 21 -8.481 13.766 -4.134 153 HZ PHE 21 HZ PHE 21 -9.277 16.124 -4.017 154 H LYS 22 H LYS 22 -1.261 16.545 -5.705 155 HA LYS 22 HA LYS 22 0.554 14.987 -7.249 156 HB2 LYS 22 1HB LYS 22 0.931 17.290 -6.326 157 HB3 LYS 22 2HB LYS 22 1.135 16.590 -4.716 158 HG2 LYS 22 1HG LYS 22 3.063 15.251 -5.552 159 HG3 LYS 22 2HG LYS 22 2.856 15.947 -7.164 160 HD2 LYS 22 1HD LYS 22 3.466 17.547 -4.637 161 HD3 LYS 22 2HD LYS 22 4.684 16.979 -5.788 162 HE2 LYS 22 1HE LYS 22 3.589 18.287 -7.597 163 HE3 LYS 22 2HE LYS 22 2.399 18.893 -6.435 164 HZ1 LYS 22 3HZ LYS 22 4.224 20.470 -6.735 165 HZ2 LYS 22 1HZ LYS 22 5.331 19.364 -6.273 166 HZ3 LYS 22 2HZ LYS 22 4.234 19.922 -5.198 167 H HIS 23 H HIS 23 -0.397 14.631 -3.816 168 HA HIS 23 HA HIS 23 1.394 12.485 -3.234 169 HB2 HIS 23 1HB HIS 23 0.070 12.107 -1.258 170 HB3 HIS 23 2HB HIS 23 0.329 13.828 -1.500 171 HD1 HIS 23 1HD HIS 23 -2.511 11.223 -1.567 172 HD2 HIS 23 2HD HIS 23 -1.835 15.357 -1.919 173 HE1 HIS 23 1HE HIS 23 -4.802 12.335 -1.449 174 H SER 24 H SER 24 -1.929 12.424 -4.572 175 HA SER 24 HA SER 24 -2.266 9.593 -4.596 176 HB2 SER 24 1HB SER 24 -3.352 11.654 -6.551 177 HB3 SER 24 2HB SER 24 -3.946 9.996 -6.349 178 HG SER 24 HG SER 24 -4.554 10.507 -4.233 179 H LEU 25 H LEU 25 -0.822 11.749 -7.126 180 HA LEU 25 HA LEU 25 -0.122 9.557 -8.852 181 HB2 LEU 25 1HB LEU 25 -0.257 11.816 -9.723 182 HB3 LEU 25 2HB LEU 25 1.017 12.363 -8.627 183 HG LEU 25 HG LEU 25 2.662 10.912 -9.767 184 HD11 LEU 25 1HD1 LEU 25 1.165 9.103 -10.599 185 HD12 LEU 25 2HD1 LEU 25 2.135 9.807 -11.887 186 HD13 LEU 25 3HD1 LEU 25 0.424 10.253 -11.731 187 HD21 LEU 25 3HD2 LEU 25 2.820 12.128 -11.862 188 HD22 LEU 25 1HD2 LEU 25 2.316 13.223 -10.561 189 HD23 LEU 25 2HD2 LEU 25 1.121 12.619 -11.737 190 H GLN 26 H GLN 26 1.791 11.262 -6.293 191 HA GLN 26 HA GLN 26 4.192 9.796 -6.665 192 HB2 GLN 26 1HB GLN 26 2.952 11.167 -4.257 193 HB3 GLN 26 2HB GLN 26 4.506 10.366 -4.138 194 HG2 GLN 26 1HG GLN 26 3.878 12.586 -6.147 195 HG3 GLN 26 2HG GLN 26 4.626 12.851 -4.579 196 HE21 GLN 26 1HE2 GLN 26 6.017 13.777 -6.723 197 HE22 GLN 26 2HE2 GLN 26 7.391 12.729 -7.038 198 H ALA 27 H ALA 27 1.368 8.938 -4.624 199 HA ALA 27 HA ALA 27 2.542 6.478 -3.667 200 HB1 ALA 27 1HB ALA 27 0.773 7.707 -2.497 201 HB2 ALA 27 2HB ALA 27 -0.354 7.391 -3.842 202 HB3 ALA 27 3HB ALA 27 0.271 6.039 -2.866 203 H HIS 28 H HIS 28 0.529 7.270 -6.531 204 HA HIS 28 HA HIS 28 0.122 4.564 -7.408 205 HB2 HIS 28 1HB HIS 28 -1.260 6.293 -8.311 206 HB3 HIS 28 2HB HIS 28 0.126 7.245 -8.835 207 HD1 HIS 28 1HD HIS 28 -1.538 3.873 -9.741 208 HD2 HIS 28 2HD HIS 28 1.146 6.764 -11.197 209 HE1 HIS 28 1HE HIS 28 -0.962 3.155 -12.100 210 H LEU 29 H LEU 29 2.729 6.926 -8.157 211 HA LEU 29 HA LEU 29 4.053 5.435 -10.131 212 HB2 LEU 29 1HB LEU 29 5.034 7.475 -8.114 213 HB3 LEU 29 2HB LEU 29 6.103 6.806 -9.337 214 HG LEU 29 HG LEU 29 3.516 8.255 -10.038 215 HD11 LEU 29 1HD1 LEU 29 4.957 10.173 -10.598 216 HD12 LEU 29 2HD1 LEU 29 6.378 9.297 -9.985 217 HD13 LEU 29 3HD1 LEU 29 5.073 9.775 -8.877 218 HD21 LEU 29 3HD2 LEU 29 4.584 8.491 -12.259 219 HD22 LEU 29 1HD2 LEU 29 4.280 6.810 -11.846 220 HD23 LEU 29 2HD2 LEU 29 5.928 7.468 -11.707 221 H ARG 30 H ARG 30 4.031 4.732 -6.735 222 HA ARG 30 HA ARG 30 6.444 3.263 -6.427 223 HB2 ARG 30 1HB ARG 30 3.719 2.800 -5.143 224 HB3 ARG 30 2HB ARG 30 5.242 2.098 -4.594 225 HG2 ARG 30 1HG ARG 30 6.158 4.364 -4.159 226 HG3 ARG 30 2HG ARG 30 4.646 5.087 -4.712 227 HD2 ARG 30 1HD ARG 30 4.587 5.071 -2.317 228 HD3 ARG 30 2HD ARG 30 3.411 3.908 -2.910 229 HE ARG 30 HE ARG 30 4.619 2.166 -1.961 230 HH11 ARG 30 2HH1 ARG 30 6.663 5.014 -1.793 231 HH12 ARG 30 1HH1 ARG 30 7.814 4.230 -0.747 232 HH21 ARG 30 2HH2 ARG 30 6.132 1.236 -0.633 233 HH22 ARG 30 1HH2 ARG 30 7.514 2.152 -0.113 234 H ILE 31 H ILE 31 3.526 2.271 -8.178 235 HA ILE 31 HA ILE 31 4.245 -0.541 -8.242 236 HB ILE 31 HB ILE 31 2.519 -0.887 -9.726 237 HG12 ILE 31 1HG1 ILE 31 2.467 2.082 -10.356 238 HG13 ILE 31 2HG1 ILE 31 2.885 0.752 -11.430 239 HG21 ILE 31 1HG2 ILE 31 1.962 -0.291 -7.348 240 HG22 ILE 31 2HG2 ILE 31 1.507 1.333 -7.915 241 HG23 ILE 31 3HG2 ILE 31 0.631 -0.099 -8.488 242 HD11 ILE 31 3HD1 ILE 31 0.689 1.452 -11.994 243 HD12 ILE 31 1HD1 ILE 31 0.574 -0.131 -11.213 244 HD13 ILE 31 2HD1 ILE 31 0.138 1.339 -10.307 245 H HIS 32 H HIS 32 5.137 2.237 -10.190 246 HA HIS 32 HA HIS 32 6.239 0.601 -12.380 247 HB2 HIS 32 1HB HIS 32 6.218 3.608 -11.946 248 HB3 HIS 32 2HB HIS 32 6.705 2.772 -13.416 249 HD1 HIS 32 1HD HIS 32 4.482 1.055 -14.357 250 HD2 HIS 32 2HD HIS 32 3.827 4.550 -12.131 251 HE1 HIS 32 1HE HIS 32 2.101 1.766 -14.876 252 H THR 33 H THR 33 7.418 2.268 -9.507 253 HA THR 33 HA THR 33 10.250 1.861 -10.219 254 HB THR 33 HB THR 33 10.732 2.895 -8.047 255 HG1 THR 33 1HG THR 33 9.047 2.324 -6.781 256 HG21 THR 33 3HG2 THR 33 10.347 4.343 -10.029 257 HG22 THR 33 1HG2 THR 33 9.888 5.119 -8.503 258 HG23 THR 33 2HG2 THR 33 8.631 4.482 -9.582 259 H ASN 34 H ASN 34 8.109 -0.387 -9.511 260 HA ASN 34 HA ASN 34 8.978 -1.745 -7.200 261 HB2 ASN 34 1HB ASN 34 6.862 -2.265 -8.233 262 HB3 ASN 34 2HB ASN 34 7.636 -2.690 -9.762 263 HD21 ASN 34 1HD2 ASN 34 8.129 -4.841 -10.090 264 HD22 ASN 34 2HD2 ASN 34 8.225 -6.041 -8.811 265 H GLU 35 H GLU 35 10.448 -3.266 -6.727 266 HA GLU 35 HA GLU 35 12.272 -4.322 -8.854 267 HB2 GLU 35 1HB GLU 35 14.081 -4.315 -7.272 268 HB3 GLU 35 2HB GLU 35 13.402 -2.698 -7.412 269 HG2 GLU 35 1HG GLU 35 12.159 -3.025 -5.279 270 HG3 GLU 35 2HG GLU 35 12.817 -4.655 -5.141 271 H LYS 36 H LYS 36 9.758 -5.312 -6.967 272 HA LYS 36 HA LYS 36 10.874 -7.782 -5.887 273 HB2 LYS 36 1HB LYS 36 8.012 -6.777 -6.025 274 HB3 LYS 36 2HB LYS 36 8.545 -8.240 -5.214 275 HG2 LYS 36 1HG LYS 36 10.038 -6.980 -3.750 276 HG3 LYS 36 2HG LYS 36 9.578 -5.456 -4.501 277 HD2 LYS 36 1HD LYS 36 7.388 -7.174 -3.315 278 HD3 LYS 36 2HD LYS 36 8.500 -6.358 -2.231 279 HE2 LYS 36 1HE LYS 36 6.613 -4.947 -2.464 280 HE3 LYS 36 2HE LYS 36 7.980 -4.170 -3.262 281 HZ1 LYS 36 3HZ LYS 36 5.892 -4.070 -4.553 282 HZ2 LYS 36 1HZ LYS 36 5.857 -5.701 -4.677 283 HZ3 LYS 36 2HZ LYS 36 7.060 -4.828 -5.401 284 HA PRO 37 HA PRO 37 10.563 -9.977 -9.637 285 HB2 PRO 37 1HB PRO 37 11.031 -12.552 -8.849 286 HB3 PRO 37 2HB PRO 37 12.242 -11.245 -8.707 287 HG2 PRO 37 1HG PRO 37 10.361 -12.248 -6.543 288 HG3 PRO 37 2HG PRO 37 12.140 -12.036 -6.452 289 HD2 PRO 37 1HD PRO 37 10.457 -10.101 -5.562 290 HD3 PRO 37 2HD PRO 37 11.958 -9.683 -6.434 291 H TYR 38 H TYR 38 8.393 -11.409 -7.131 292 HA TYR 38 HA TYR 38 7.076 -13.053 -9.156 293 HB2 TYR 38 1HB TYR 38 6.366 -12.771 -6.232 294 HB3 TYR 38 2HB TYR 38 5.884 -14.048 -7.339 295 HD1 TYR 38 1HD TYR 38 8.219 -14.995 -8.691 296 HD2 TYR 38 2HD TYR 38 7.831 -13.586 -4.637 297 HE1 TYR 38 1HE TYR 38 10.192 -16.354 -8.033 298 HE2 TYR 38 2HE TYR 38 9.760 -15.023 -3.961 299 HH TYR 38 HH TYR 38 11.593 -16.983 -6.331 300 H LYS 39 H LYS 39 6.234 -11.527 -10.545 301 HA LYS 39 HA LYS 39 4.272 -9.539 -9.776 302 HB2 LYS 39 1HB LYS 39 5.110 -10.693 -12.455 303 HB3 LYS 39 2HB LYS 39 3.923 -9.393 -12.279 304 HG2 LYS 39 1HG LYS 39 5.532 -7.912 -11.265 305 HG3 LYS 39 2HG LYS 39 6.742 -9.200 -11.140 306 HD2 LYS 39 1HD LYS 39 6.823 -9.356 -13.616 307 HD3 LYS 39 2HD LYS 39 5.640 -8.033 -13.733 308 HE2 LYS 39 1HE LYS 39 7.201 -6.532 -12.521 309 HE3 LYS 39 2HE LYS 39 8.370 -7.849 -12.370 310 HZ1 LYS 39 3HZ LYS 39 8.530 -7.898 -14.805 311 HZ2 LYS 39 1HZ LYS 39 8.904 -6.410 -14.254 312 HZ3 LYS 39 2HZ LYS 39 7.452 -6.679 -14.946 313 H CYS 40 H CYS 40 2.139 -9.502 -9.899 314 HA CYS 40 HA CYS 40 0.570 -11.901 -9.700 315 HB2 CYS 40 1HB CYS 40 0.131 -9.848 -8.496 316 HB3 CYS 40 2HB CYS 40 -0.133 -8.971 -10.013 317 HA PRO 41 HA PRO 41 -0.226 -12.329 -14.171 318 HB2 PRO 41 1HB PRO 41 -2.422 -14.131 -13.181 319 HB3 PRO 41 2HB PRO 41 -1.183 -14.445 -14.433 320 HG2 PRO 41 1HG PRO 41 -0.968 -15.562 -11.970 321 HG3 PRO 41 2HG PRO 41 0.485 -14.880 -12.777 322 HD2 PRO 41 1HD PRO 41 -1.292 -13.552 -10.701 323 HD3 PRO 41 2HD PRO 41 0.494 -13.701 -10.734 324 H GLN 42 H GLN 42 -2.357 -11.116 -11.712 325 HA GLN 42 HA GLN 42 -4.511 -10.479 -13.684 326 HB2 GLN 42 1HB GLN 42 -4.668 -10.867 -10.682 327 HB3 GLN 42 2HB GLN 42 -6.011 -10.448 -11.746 328 HG2 GLN 42 1HG GLN 42 -5.629 -12.591 -13.006 329 HG3 GLN 42 2HG GLN 42 -4.375 -13.025 -11.839 330 HE21 GLN 42 1HE2 GLN 42 -7.898 -12.502 -12.235 331 HE22 GLN 42 2HE2 GLN 42 -8.316 -13.354 -10.754 332 H CYS 43 H CYS 43 -2.311 -8.842 -11.339 333 HA CYS 43 HA CYS 43 -3.280 -6.303 -12.507 334 HB2 CYS 43 1HB CYS 43 -3.587 -5.255 -10.355 335 HB3 CYS 43 2HB CYS 43 -4.631 -6.660 -10.494 336 H SER 44 H SER 44 -1.866 -4.506 -11.124 337 HA SER 44 HA SER 44 0.814 -4.774 -12.206 338 HB2 SER 44 1HB SER 44 1.055 -2.461 -11.289 339 HB3 SER 44 2HB SER 44 -0.344 -2.673 -12.356 340 HG SER 44 HG SER 44 -0.973 -1.552 -10.486 341 H TYR 45 H TYR 45 -0.435 -5.954 -9.338 342 HA TYR 45 HA TYR 45 1.492 -5.269 -7.386 343 HB2 TYR 45 1HB TYR 45 -0.751 -6.209 -6.989 344 HB3 TYR 45 2HB TYR 45 -0.261 -7.734 -7.719 345 HD1 TYR 45 2HD TYR 45 0.255 -5.359 -4.889 346 HD2 TYR 45 1HD TYR 45 1.010 -9.356 -6.329 347 HE1 TYR 45 2HE TYR 45 1.039 -6.032 -2.623 348 HE2 TYR 45 1HE TYR 45 1.768 -10.030 -4.054 349 HH TYR 45 HH TYR 45 2.146 -9.339 -1.853 350 H ALA 46 H ALA 46 3.203 -6.376 -6.525 351 HA ALA 46 HA ALA 46 4.129 -8.891 -7.653 352 HB1 ALA 46 1HB ALA 46 5.998 -6.484 -7.665 353 HB2 ALA 46 2HB ALA 46 6.410 -8.149 -8.145 354 HB3 ALA 46 3HB ALA 46 5.259 -7.201 -9.108 355 H SER 47 H SER 47 5.301 -10.131 -6.213 356 HA SER 47 HA SER 47 5.838 -8.966 -3.504 357 HB2 SER 47 1HB SER 47 3.927 -10.596 -3.614 358 HB3 SER 47 2HB SER 47 5.112 -11.852 -4.048 359 HG SER 47 HG SER 47 4.503 -10.906 -1.655 360 H ALA 48 H ALA 48 7.488 -9.904 -2.264 361 HA ALA 48 HA ALA 48 9.847 -10.912 -3.759 362 HB1 ALA 48 1HB ALA 48 11.051 -10.411 -1.684 363 HB2 ALA 48 2HB ALA 48 10.139 -8.994 -2.235 364 HB3 ALA 48 3HB ALA 48 9.528 -9.976 -0.879 365 H ILE 49 H ILE 49 7.144 -12.221 -2.172 366 HA ILE 49 HA ILE 49 8.564 -14.798 -1.646 367 HB ILE 49 HB ILE 49 6.372 -13.673 0.125 368 HG12 ILE 49 1HG1 ILE 49 9.378 -13.637 0.585 369 HG13 ILE 49 2HG1 ILE 49 8.304 -12.241 0.413 370 HG21 ILE 49 1HG2 ILE 49 6.945 -15.542 1.602 371 HG22 ILE 49 2HG2 ILE 49 6.574 -16.171 0.016 372 HG23 ILE 49 3HG2 ILE 49 8.270 -16.031 0.523 373 HD11 ILE 49 3HD1 ILE 49 8.369 -14.182 2.741 374 HD12 ILE 49 1HD1 ILE 49 8.803 -12.467 2.727 375 HD13 ILE 49 2HD1 ILE 49 7.106 -12.944 2.501 376 H LYS 50 H LYS 50 7.673 -16.479 -2.656 377 HA LYS 50 HA LYS 50 5.423 -16.226 -4.424 378 HB2 LYS 50 1HB LYS 50 6.887 -18.671 -3.346 379 HB3 LYS 50 2HB LYS 50 5.643 -18.727 -4.616 380 HG2 LYS 50 1HG LYS 50 7.102 -17.117 -5.952 381 HG3 LYS 50 2HG LYS 50 8.329 -17.337 -4.690 382 HD2 LYS 50 1HD LYS 50 8.922 -18.768 -6.487 383 HD3 LYS 50 2HD LYS 50 8.349 -19.790 -5.161 384 HE2 LYS 50 1HE LYS 50 6.128 -19.979 -6.289 385 HE3 LYS 50 2HE LYS 50 6.705 -18.927 -7.589 386 HZ1 LYS 50 3HZ LYS 50 6.886 -21.271 -8.196 387 HZ2 LYS 50 1HZ LYS 50 7.850 -21.588 -6.919 388 HZ3 LYS 50 2HZ LYS 50 8.378 -20.617 -8.122 389 H ALA 51 H ALA 51 5.632 -17.653 -1.168 390 HA ALA 51 HA ALA 51 2.903 -18.513 -1.030 391 HB1 ALA 51 1HB ALA 51 4.717 -19.379 0.406 392 HB2 ALA 51 2HB ALA 51 4.868 -17.789 1.193 393 HB3 ALA 51 3HB ALA 51 3.380 -18.740 1.376 394 H ASN 52 H ASN 52 4.311 -15.287 -0.573 395 HA ASN 52 HA ASN 52 1.880 -14.186 0.667 396 HB2 ASN 52 1HB ASN 52 4.019 -13.135 1.154 397 HB3 ASN 52 2HB ASN 52 4.340 -12.900 -0.567 398 HD21 ASN 52 1HD2 ASN 52 2.231 -11.827 2.118 399 HD22 ASN 52 2HD2 ASN 52 1.768 -10.340 1.305 400 H LEU 53 H LEU 53 3.294 -14.293 -2.665 401 HA LEU 53 HA LEU 53 1.116 -12.943 -3.903 402 HB2 LEU 53 1HB LEU 53 3.340 -13.436 -4.964 403 HB3 LEU 53 2HB LEU 53 2.866 -15.131 -5.088 404 HG LEU 53 HG LEU 53 0.906 -14.423 -6.530 405 HD11 LEU 53 1HD1 LEU 53 0.982 -12.176 -7.559 406 HD12 LEU 53 2HD1 LEU 53 2.318 -11.714 -6.486 407 HD13 LEU 53 3HD1 LEU 53 0.698 -12.055 -5.830 408 HD21 LEU 53 3HD2 LEU 53 2.230 -14.017 -8.535 409 HD22 LEU 53 1HD2 LEU 53 3.026 -15.226 -7.514 410 HD23 LEU 53 2HD2 LEU 53 3.629 -13.553 -7.549 411 H ASN 54 H ASN 54 1.527 -16.379 -3.064 412 HA ASN 54 HA ASN 54 -0.859 -17.434 -4.133 413 HB2 ASN 54 1HB ASN 54 1.136 -18.637 -3.105 414 HB3 ASN 54 2HB ASN 54 0.480 -18.237 -1.517 415 HD21 ASN 54 1HD2 ASN 54 0.108 -20.255 -4.357 416 HD22 ASN 54 2HD2 ASN 54 -1.158 -21.265 -3.670 417 H VAL 55 H VAL 55 -0.495 -15.366 -1.306 418 HA VAL 55 HA VAL 55 -3.327 -15.744 -0.483 419 HB VAL 55 HB VAL 55 -1.103 -14.080 0.728 420 HG11 VAL 55 1HG1 VAL 55 -3.961 -14.530 1.694 421 HG12 VAL 55 2HG1 VAL 55 -2.655 -13.799 2.654 422 HG13 VAL 55 3HG1 VAL 55 -3.240 -12.978 1.208 423 HG21 VAL 55 3HG2 VAL 55 -2.510 -16.613 1.691 424 HG22 VAL 55 1HG2 VAL 55 -0.861 -16.539 1.043 425 HG23 VAL 55 2HG2 VAL 55 -1.241 -15.722 2.561 426 H HIS 56 H HIS 56 -1.251 -13.261 -2.021 427 HA HIS 56 HA HIS 56 -3.230 -11.218 -2.252 428 HB2 HIS 56 1HB HIS 56 -0.888 -10.774 -2.706 429 HB3 HIS 56 2HB HIS 56 -0.861 -11.977 -3.999 430 HD1 HIS 56 1HD HIS 56 -2.327 -8.475 -3.327 431 HD2 HIS 56 2HD HIS 56 -1.719 -11.289 -6.389 432 HE1 HIS 56 1HE HIS 56 -3.089 -7.344 -5.461 433 H LEU 57 H LEU 57 -2.652 -14.013 -4.436 434 HA LEU 57 HA LEU 57 -4.549 -13.315 -6.438 435 HB2 LEU 57 1HB LEU 57 -3.615 -15.967 -5.339 436 HB3 LEU 57 2HB LEU 57 -4.635 -15.856 -6.766 437 HG LEU 57 HG LEU 57 -1.960 -14.400 -6.619 438 HD11 LEU 57 1HD1 LEU 57 -1.593 -16.787 -6.201 439 HD12 LEU 57 2HD1 LEU 57 -0.977 -16.301 -7.794 440 HD13 LEU 57 3HD1 LEU 57 -2.516 -17.200 -7.664 441 HD21 LEU 57 3HD2 LEU 57 -3.711 -15.330 -8.933 442 HD22 LEU 57 1HD2 LEU 57 -2.103 -14.595 -9.073 443 HD23 LEU 57 2HD2 LEU 57 -3.444 -13.649 -8.416 444 H ARG 58 H ARG 58 -5.082 -14.696 -3.257 445 HA ARG 58 HA ARG 58 -7.864 -15.418 -3.586 446 HB2 ARG 58 1HB ARG 58 -6.539 -14.674 -0.960 447 HB3 ARG 58 2HB ARG 58 -7.921 -15.727 -1.220 448 HG2 ARG 58 1HG ARG 58 -6.470 -17.407 -2.329 449 HG3 ARG 58 2HG ARG 58 -5.081 -16.329 -2.131 450 HD2 ARG 58 1HD ARG 58 -5.492 -16.383 0.371 451 HD3 ARG 58 2HD ARG 58 -6.659 -17.688 0.063 452 HE ARG 58 HE ARG 58 -4.028 -18.140 -1.151 453 HH11 ARG 58 2HH2 ARG 58 -5.749 -18.505 1.887 454 HH12 ARG 58 1HH2 ARG 58 -4.662 -19.739 2.458 455 HH21 ARG 58 2HH1 ARG 58 -2.698 -19.751 -0.372 456 HH22 ARG 58 1HH1 ARG 58 -2.988 -20.418 1.211 457 H LYS 59 H LYS 59 -6.453 -12.317 -3.404 458 HA LYS 59 HA LYS 59 -8.870 -10.939 -2.398 459 HB2 LYS 59 1HB LYS 59 -6.393 -9.767 -3.729 460 HB3 LYS 59 2HB LYS 59 -7.652 -8.891 -2.863 461 HG2 LYS 59 1HG LYS 59 -7.051 -10.108 -0.769 462 HG3 LYS 59 2HG LYS 59 -5.720 -10.909 -1.633 463 HD2 LYS 59 1HD LYS 59 -4.723 -8.707 -2.159 464 HD3 LYS 59 2HD LYS 59 -6.002 -7.893 -1.251 465 HE2 LYS 59 1HE LYS 59 -4.052 -9.939 -0.081 466 HE3 LYS 59 2HE LYS 59 -3.824 -8.190 -0.009 467 HZ1 LYS 59 3HZ LYS 59 -4.836 -8.993 2.026 468 HZ2 LYS 59 1HZ LYS 59 -6.094 -9.654 1.231 469 HZ3 LYS 59 2HZ LYS 59 -5.901 -8.030 1.260 470 H HIS 60 H HIS 60 -7.675 -12.042 -5.467 471 HA HIS 60 HA HIS 60 -9.377 -10.269 -7.065 472 HB2 HIS 60 1HB HIS 60 -7.561 -12.580 -7.813 473 HB3 HIS 60 2HB HIS 60 -8.502 -11.644 -8.969 474 HD1 HIS 60 1HD HIS 60 -8.015 -8.808 -8.675 475 HD2 HIS 60 2HD HIS 60 -5.107 -11.673 -7.661 476 HE1 HIS 60 1HE HIS 60 -5.804 -7.582 -8.735 477 H THR 61 H THR 61 -11.125 -11.253 -5.426 478 HA THR 61 HA THR 61 -12.589 -13.486 -6.773 479 HB THR 61 HB THR 61 -13.734 -13.724 -4.545 480 HG1 THR 61 1HG THR 61 -12.666 -12.757 -2.795 481 HG21 THR 61 3HG2 THR 61 -11.895 -15.214 -5.187 482 HG22 THR 61 1HG2 THR 61 -11.835 -14.852 -3.455 483 HG23 THR 61 2HG2 THR 61 -10.705 -14.052 -4.570 484 H GLY 62 H GLY 62 -12.714 -10.248 -6.949 485 HA2 GLY 62 1HA GLY 62 -15.450 -10.215 -7.892 486 HA3 GLY 62 2HA GLY 62 -15.276 -9.341 -6.368 487 H GLU 63 H GLU 63 -16.113 -7.667 -7.990 488 HA GLU 63 HA GLU 63 -13.991 -6.343 -9.581 489 HB2 GLU 63 1HB GLU 63 -16.153 -6.783 -10.656 490 HB3 GLU 63 2HB GLU 63 -16.985 -5.829 -9.420 491 HG2 GLU 63 1HG GLU 63 -15.806 -3.801 -10.138 492 HG3 GLU 63 2HG GLU 63 -14.810 -4.735 -11.256 493 H LYS 64 H LYS 64 -13.039 -4.552 -8.939 494 HA LYS 64 HA LYS 64 -13.527 -3.469 -6.253 495 HB2 LYS 64 1HB LYS 64 -11.358 -3.079 -8.337 496 HB3 LYS 64 2HB LYS 64 -11.522 -1.963 -6.981 497 HG2 LYS 64 1HG LYS 64 -11.370 -3.839 -5.379 498 HG3 LYS 64 2HG LYS 64 -11.081 -4.965 -6.725 499 HD2 LYS 64 1HD LYS 64 -8.999 -3.862 -7.295 500 HD3 LYS 64 2HD LYS 64 -9.373 -2.494 -6.238 501 HE2 LYS 64 1HE LYS 64 -9.418 -4.213 -4.301 502 HE3 LYS 64 2HE LYS 64 -8.619 -5.324 -5.426 503 HZ1 LYS 64 3HZ LYS 64 -6.849 -3.625 -5.664 504 HZ2 LYS 64 1HZ LYS 64 -7.009 -4.061 -4.094 505 HZ3 LYS 64 2HZ LYS 64 -7.630 -2.638 -4.609 506 H PHE 65 H PHE 65 -13.959 -1.495 -5.641 507 HA PHE 65 HA PHE 65 -14.755 0.628 -7.577 508 HB2 PHE 65 1HB PHE 65 -15.830 0.246 -4.767 509 HB3 PHE 65 2HB PHE 65 -16.421 1.343 -6.008 510 HD1 PHE 65 2HD PHE 65 -17.150 0.018 -8.312 511 HD2 PHE 65 1HD PHE 65 -17.061 -1.666 -4.345 512 HE1 PHE 65 2HE PHE 65 -18.812 -1.698 -9.000 513 HE2 PHE 65 1HE PHE 65 -18.728 -3.378 -5.036 514 HZ PHE 65 HZ PHE 65 -19.625 -3.376 -7.349 515 H ALA 66 H ALA 66 -14.128 2.803 -6.892 516 HA ALA 66 HA ALA 66 -11.748 2.788 -5.078 517 HB1 ALA 66 1HB ALA 66 -12.103 4.237 -7.726 518 HB2 ALA 66 2HB ALA 66 -10.653 4.232 -6.702 519 HB3 ALA 66 3HB ALA 66 -11.185 2.734 -7.491 520 H CYS 67 H CYS 67 -11.210 4.537 -3.900 521 HA CYS 67 HA CYS 67 -13.244 6.375 -3.014 522 HB2 CYS 67 1HB CYS 67 -11.470 5.369 -1.640 523 HB3 CYS 67 2HB CYS 67 -10.243 6.258 -2.555 524 H ASP 68 H ASP 68 -13.281 8.591 -3.166 525 HA ASP 68 HA ASP 68 -12.172 9.790 -5.666 526 HB2 ASP 68 1HB ASP 68 -14.640 9.777 -5.328 527 HB3 ASP 68 2HB ASP 68 -14.427 10.760 -3.879 528 H TYR 69 H TYR 69 -11.345 9.587 -2.455 529 HA TYR 69 HA TYR 69 -10.133 12.337 -2.364 530 HB2 TYR 69 1HB TYR 69 -11.229 10.659 -0.107 531 HB3 TYR 69 2HB TYR 69 -10.555 12.275 0.042 532 HD1 TYR 69 1HD TYR 69 -11.793 14.236 -0.980 533 HD2 TYR 69 2HD TYR 69 -13.501 10.281 -0.738 534 HE1 TYR 69 1HE TYR 69 -14.064 15.195 -1.330 535 HE2 TYR 69 2HE TYR 69 -15.776 11.244 -1.094 536 HH TYR 69 HH TYR 69 -16.309 14.762 -1.520 537 H CYS 70 H CYS 70 -9.425 8.949 -2.172 538 HA CYS 70 HA CYS 70 -6.591 9.545 -1.901 539 HB2 CYS 70 1HB CYS 70 -6.107 8.105 -0.060 540 HB3 CYS 70 2HB CYS 70 -7.294 9.289 0.454 541 H SER 71 H SER 71 -5.504 7.096 -1.770 542 HA SER 71 HA SER 71 -6.126 5.913 -4.363 543 HB2 SER 71 1HB SER 71 -4.019 5.135 -2.319 544 HB3 SER 71 2HB SER 71 -4.075 4.630 -4.017 545 HG SER 71 HG SER 71 -3.771 6.788 -4.634 546 H PHE 72 H PHE 72 -7.645 5.318 -1.494 547 HA PHE 72 HA PHE 72 -7.487 2.510 -1.135 548 HB2 PHE 72 1HB PHE 72 -8.333 4.032 0.548 549 HB3 PHE 72 2HB PHE 72 -9.661 4.514 -0.495 550 HD1 PHE 72 1HD PHE 72 -8.329 1.748 1.603 551 HD2 PHE 72 2HD PHE 72 -11.695 3.226 -0.654 552 HE1 PHE 72 1HE PHE 72 -9.794 0.039 2.658 553 HE2 PHE 72 2HE PHE 72 -13.156 1.526 0.410 554 HZ PHE 72 HZ PHE 72 -12.208 -0.068 2.070 555 H THR 73 H THR 73 -8.678 0.779 -1.753 556 HA THR 73 HA THR 73 -10.990 1.087 -3.547 557 HB THR 73 HB THR 73 -10.272 -0.832 -4.948 558 HG1 THR 73 1HG THR 73 -7.726 -0.301 -3.816 559 HG21 THR 73 3HG2 THR 73 -8.727 0.353 -6.414 560 HG22 THR 73 1HG2 THR 73 -8.368 1.536 -5.137 561 HG23 THR 73 2HG2 THR 73 -9.998 1.441 -5.835 562 H CYS 74 H CYS 74 -12.510 -0.581 -3.433 563 HA CYS 74 HA CYS 74 -12.001 -2.885 -1.659 564 HB2 CYS 74 1HB CYS 74 -12.797 -0.931 -0.247 565 HB3 CYS 74 2HB CYS 74 -14.353 -1.028 -1.092 566 HG CYS 74 HG CYS 74 -14.323 -2.174 1.372 567 H LEU 75 H LEU 75 -13.790 -4.466 -1.694 568 HA LEU 75 HA LEU 75 -14.927 -4.763 -4.408 569 HB2 LEU 75 1HB LEU 75 -14.833 -6.675 -2.043 570 HB3 LEU 75 2HB LEU 75 -15.396 -7.075 -3.662 571 HG LEU 75 HG LEU 75 -12.537 -6.317 -2.927 572 HD11 LEU 75 1HD1 LEU 75 -13.768 -8.970 -3.789 573 HD12 LEU 75 2HD1 LEU 75 -13.235 -8.557 -2.145 574 HD13 LEU 75 3HD1 LEU 75 -12.050 -8.665 -3.456 575 HD21 LEU 75 3HD2 LEU 75 -12.005 -7.040 -5.251 576 HD22 LEU 75 1HD2 LEU 75 -13.031 -5.601 -5.221 577 HD23 LEU 75 2HD2 LEU 75 -13.747 -7.181 -5.584 578 H SER 76 H SER 76 -16.078 -3.134 -1.838 579 HA SER 76 HA SER 76 -18.928 -3.777 -2.456 580 HB2 SER 76 1HB SER 76 -18.517 -4.977 -0.444 581 HB3 SER 76 2HB SER 76 -17.646 -3.616 0.283 582 HG SER 76 HG SER 76 -19.972 -3.976 0.872 583 H LYS 77 H LYS 77 -20.155 -2.082 -2.823 584 HA LYS 77 HA LYS 77 -19.281 0.680 -2.658 585 HB2 LYS 77 1HB LYS 77 -22.017 -0.631 -3.008 586 HB3 LYS 77 2HB LYS 77 -21.773 1.110 -3.046 587 HG2 LYS 77 1HG LYS 77 -20.521 -0.864 -4.996 588 HG3 LYS 77 2HG LYS 77 -21.959 0.116 -5.275 589 HD2 LYS 77 1HD LYS 77 -20.507 2.195 -4.874 590 HD3 LYS 77 2HD LYS 77 -19.112 1.110 -4.863 591 HE2 LYS 77 1HE LYS 77 -19.219 1.967 -7.059 592 HE3 LYS 77 2HE LYS 77 -19.796 0.300 -7.151 593 HZ1 LYS 77 3HZ LYS 77 -21.544 2.708 -7.085 594 HZ2 LYS 77 1HZ LYS 77 -22.079 1.166 -7.200 595 HZ3 LYS 77 2HZ LYS 77 -21.214 1.824 -8.414 596 H GLY 78 H GLY 78 -21.024 -1.437 -0.423 597 HA2 GLY 78 1HA GLY 78 -21.895 0.615 1.429 598 HA3 GLY 78 2HA GLY 78 -21.721 -1.116 1.760 599 H HIS 79 H HIS 79 -19.034 -1.583 1.362 600 HA HIS 79 HA HIS 79 -17.792 -0.463 3.705 601 HB2 HIS 79 1HB HIS 79 -17.361 -2.707 2.640 602 HB3 HIS 79 2HB HIS 79 -16.442 -1.873 1.386 603 HD1 HIS 79 1HD HIS 79 -14.913 0.144 3.553 604 HD2 HIS 79 2HD HIS 79 -15.371 -4.034 3.708 605 HE1 HIS 79 1HE HIS 79 -12.993 -0.733 4.994 606 H LEU 80 H LEU 80 -17.544 0.388 0.225 607 HA LEU 80 HA LEU 80 -15.509 2.381 0.567 608 HB2 LEU 80 1HB LEU 80 -16.049 1.326 -1.586 609 HB3 LEU 80 2HB LEU 80 -17.659 2.053 -1.558 610 HG LEU 80 HG LEU 80 -16.670 4.314 -1.718 611 HD11 LEU 80 1HD1 LEU 80 -14.488 3.980 -0.626 612 HD12 LEU 80 2HD1 LEU 80 -14.263 4.555 -2.273 613 HD13 LEU 80 3HD1 LEU 80 -14.001 2.838 -1.907 614 HD21 LEU 80 3HD2 LEU 80 -17.238 2.996 -3.757 615 HD22 LEU 80 1HD2 LEU 80 -15.551 2.431 -3.822 616 HD23 LEU 80 2HD2 LEU 80 -15.929 4.156 -4.017 617 H LYS 81 H LYS 81 -19.103 2.614 0.678 618 HA LYS 81 HA LYS 81 -19.233 5.434 1.166 619 HB2 LYS 81 1HB LYS 81 -21.156 3.989 0.554 620 HB3 LYS 81 2HB LYS 81 -21.111 3.243 2.158 621 HG2 LYS 81 1HG LYS 81 -21.521 5.470 3.198 622 HG3 LYS 81 2HG LYS 81 -21.581 6.209 1.592 623 HD2 LYS 81 1HD LYS 81 -23.479 4.052 2.629 624 HD3 LYS 81 2HD LYS 81 -23.821 5.786 2.590 625 HE2 LYS 81 1HE LYS 81 -23.550 5.779 0.107 626 HE3 LYS 81 2HE LYS 81 -23.281 4.032 0.151 627 HZ1 LYS 81 3HZ LYS 81 -25.769 5.394 1.042 628 HZ2 LYS 81 1HZ LYS 81 -25.521 3.778 1.090 629 HZ3 LYS 81 2HZ LYS 81 -25.597 4.553 -0.345 630 H VAL 82 H VAL 82 -19.011 2.714 3.524 631 HA VAL 82 HA VAL 82 -18.807 4.361 5.854 632 HB VAL 82 HB VAL 82 -17.720 1.573 5.323 633 HG11 VAL 82 1HG1 VAL 82 -16.460 2.494 7.219 634 HG12 VAL 82 2HG1 VAL 82 -17.962 3.086 7.967 635 HG13 VAL 82 3HG1 VAL 82 -17.654 1.342 7.811 636 HG21 VAL 82 3HG2 VAL 82 -20.215 1.833 5.249 637 HG22 VAL 82 1HG2 VAL 82 -19.679 0.856 6.618 638 HG23 VAL 82 2HG2 VAL 82 -20.170 2.548 6.869 639 H HIS 83 H HIS 83 -16.172 3.169 3.685 640 HA HIS 83 HA HIS 83 -14.004 4.336 5.081 641 HB2 HIS 83 1HB HIS 83 -13.612 2.813 3.269 642 HB3 HIS 83 2HB HIS 83 -14.461 3.837 2.120 643 HD1 HIS 83 1HD HIS 83 -11.093 3.646 3.928 644 HD2 HIS 83 2HD HIS 83 -13.167 5.902 1.057 645 HE1 HIS 83 1HE HIS 83 -9.374 5.205 2.904 646 H ILE 84 H ILE 84 -16.099 5.902 2.565 647 HA ILE 84 HA ILE 84 -14.724 8.431 2.781 648 HB ILE 84 HB ILE 84 -17.449 7.730 1.650 649 HG12 ILE 84 1HG1 ILE 84 -14.785 8.346 0.266 650 HG13 ILE 84 2HG1 ILE 84 -15.377 6.720 0.557 651 HG21 ILE 84 1HG2 ILE 84 -15.850 10.328 1.402 652 HG22 ILE 84 2HG2 ILE 84 -17.348 9.948 0.522 653 HG23 ILE 84 3HG2 ILE 84 -17.393 10.132 2.265 654 HD11 ILE 84 3HD1 ILE 84 -17.394 7.199 -0.831 655 HD12 ILE 84 1HD1 ILE 84 -16.669 8.769 -1.265 656 HD13 ILE 84 2HD1 ILE 84 -15.853 7.265 -1.709 657 H GLU 85 H GLU 85 -17.737 7.262 4.336 658 HA GLU 85 HA GLU 85 -18.318 9.705 5.711 659 HB2 GLU 85 1HB GLU 85 -19.060 6.798 6.259 660 HB3 GLU 85 2HB GLU 85 -19.762 8.132 7.146 661 HG2 GLU 85 1HG GLU 85 -20.001 7.828 4.121 662 HG3 GLU 85 2HG GLU 85 -21.155 7.156 5.266 663 H ARG 86 H ARG 86 -16.052 7.142 6.626 664 HA ARG 86 HA ARG 86 -15.657 8.461 9.287 665 HB2 ARG 86 1HB ARG 86 -14.593 5.802 8.278 666 HB3 ARG 86 2HB ARG 86 -14.440 6.450 9.908 667 HG2 ARG 86 1HG ARG 86 -16.979 5.505 8.523 668 HG3 ARG 86 2HG ARG 86 -16.172 4.786 9.895 669 HD2 ARG 86 1HD ARG 86 -17.724 7.395 9.794 670 HD3 ARG 86 2HD ARG 86 -18.185 5.908 10.605 671 HE ARG 86 HE ARG 86 -16.241 6.242 12.146 672 HH11 ARG 86 2HH1 ARG 86 -17.517 9.135 10.580 673 HH12 ARG 86 1HH1 ARG 86 -17.036 10.149 11.911 674 HH21 ARG 86 2HH2 ARG 86 -15.610 7.619 13.746 675 HH22 ARG 86 1HH2 ARG 86 -15.957 9.318 13.628 676 H VAL 87 H VAL 87 -13.681 7.518 6.447 677 HA VAL 87 HA VAL 87 -11.286 8.584 7.724 678 HB VAL 87 HB VAL 87 -11.621 7.635 4.859 679 HG11 VAL 87 1HG1 VAL 87 -9.136 8.046 6.570 680 HG12 VAL 87 2HG1 VAL 87 -9.177 7.275 4.969 681 HG13 VAL 87 3HG1 VAL 87 -9.592 8.980 5.127 682 HG21 VAL 87 3HG2 VAL 87 -10.689 6.172 7.381 683 HG22 VAL 87 1HG2 VAL 87 -12.161 5.814 6.452 684 HG23 VAL 87 2HG2 VAL 87 -10.577 5.530 5.730 685 H HIS 88 H HIS 88 -13.522 9.781 5.214 686 HA HIS 88 HA HIS 88 -11.818 12.221 4.926 687 HB2 HIS 88 1HB HIS 88 -13.814 10.993 3.005 688 HB3 HIS 88 2HB HIS 88 -12.825 12.423 2.708 689 HD1 HIS 88 1HD HIS 88 -9.986 11.801 3.057 690 HD2 HIS 88 2HD HIS 88 -12.761 8.804 2.083 691 HE1 HIS 88 1HE HIS 88 -8.629 9.897 2.067 692 H LYS 89 H LYS 89 -15.246 11.292 5.483 693 HA LYS 89 HA LYS 89 -16.007 14.121 5.877 694 HB2 LYS 89 1HB LYS 89 -17.585 11.597 6.304 695 HB3 LYS 89 2HB LYS 89 -18.183 13.240 6.545 696 HG2 LYS 89 1HG LYS 89 -17.610 13.765 4.143 697 HG3 LYS 89 2HG LYS 89 -17.204 12.051 3.911 698 HD2 LYS 89 1HD LYS 89 -19.508 11.446 4.647 699 HD3 LYS 89 2HD LYS 89 -19.910 13.169 4.781 700 HE2 LYS 89 1HE LYS 89 -19.431 13.465 2.358 701 HE3 LYS 89 2HE LYS 89 -19.008 11.749 2.234 702 HZ1 LYS 89 3HZ LYS 89 -21.293 12.043 1.560 703 HZ2 LYS 89 1HZ LYS 89 -21.685 12.818 2.945 704 HZ3 LYS 89 2HZ LYS 89 -21.294 11.231 2.990 705 H LYS 90 H LYS 90 -14.831 14.962 7.531 706 HA LYS 90 HA LYS 90 -14.341 13.447 9.986 707 HB2 LYS 90 1HB LYS 90 -13.503 16.303 9.412 708 HB3 LYS 90 2HB LYS 90 -12.824 15.191 10.595 709 HG2 LYS 90 1HG LYS 90 -12.522 15.169 7.586 710 HG3 LYS 90 2HG LYS 90 -11.275 15.330 8.808 711 HD2 LYS 90 1HD LYS 90 -12.822 12.792 8.122 712 HD3 LYS 90 2HD LYS 90 -11.155 13.173 7.709 713 HE2 LYS 90 1HE LYS 90 -10.505 13.157 10.066 714 HE3 LYS 90 2HE LYS 90 -12.179 12.881 10.570 715 HZ1 LYS 90 3HZ LYS 90 -10.666 11.018 8.824 716 HZ2 LYS 90 1HZ LYS 90 -12.138 10.731 9.485 717 HZ3 LYS 90 2HZ LYS 90 -10.818 10.816 10.446 718 H ILE 91 H ILE 91 -16.958 13.642 9.886 719 HA ILE 91 HA ILE 91 -17.899 15.864 11.601 720 HB ILE 91 HB ILE 91 -20.145 15.125 11.042 721 HG12 ILE 91 1HG1 ILE 91 -18.837 13.100 9.162 722 HG13 ILE 91 2HG1 ILE 91 -19.682 12.704 10.662 723 HG21 ILE 91 1HG2 ILE 91 -20.136 16.020 8.792 724 HG22 ILE 91 2HG2 ILE 91 -18.873 16.833 9.714 725 HG23 ILE 91 3HG2 ILE 91 -18.437 15.562 8.553 726 HD11 ILE 91 3HD1 ILE 91 -20.911 13.946 8.175 727 HD12 ILE 91 1HD1 ILE 91 -21.181 12.322 8.827 728 HD13 ILE 91 2HD1 ILE 91 -21.763 13.739 9.726 729 H LYS 92 H LYS 92 -19.178 15.531 13.392 730 HA LYS 92 HA LYS 92 -19.187 12.960 14.821 731 HB2 LYS 92 1HB LYS 92 -18.090 13.828 16.801 732 HB3 LYS 92 2HB LYS 92 -17.001 13.887 15.417 733 HG2 LYS 92 1HG LYS 92 -17.494 16.335 15.159 734 HG3 LYS 92 2HG LYS 92 -18.508 16.271 16.601 735 HD2 LYS 92 1HD LYS 92 -15.526 15.656 16.454 736 HD3 LYS 92 2HD LYS 92 -16.229 17.151 17.055 737 HE2 LYS 92 1HE LYS 92 -16.626 14.393 18.306 738 HE3 LYS 92 2HE LYS 92 -15.465 15.601 18.851 739 HZ1 LYS 92 3HZ LYS 92 -17.478 15.706 20.170 740 HZ2 LYS 92 1HZ LYS 92 -18.412 15.967 18.860 741 HZ3 LYS 92 2HZ LYS 92 -17.327 17.096 19.334 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 11.434 37.444 -1.410 2 H2 GLY 1 2H GLY 1 11.156 37.845 0.156 3 H3 GLY 1 3H GLY 1 9.910 37.393 -0.804 4 HA2 GLY 1 1HA GLY 1 10.793 35.163 -1.015 5 HA3 GLY 1 2HA GLY 1 12.141 35.653 0.026 6 H SER 2 H SER 2 11.007 33.560 0.989 7 HA SER 2 HA SER 2 9.537 34.452 3.389 8 HB2 SER 2 1HB SER 2 7.727 33.896 1.837 9 HB3 SER 2 2HB SER 2 8.457 32.313 1.511 10 HG SER 2 HG SER 2 6.729 32.348 3.123 11 H SER 3 H SER 3 9.840 33.158 5.156 12 HA SER 3 HA SER 3 11.951 31.107 5.097 13 HB2 SER 3 1HB SER 3 10.301 32.169 7.417 14 HB3 SER 3 2HB SER 3 11.740 31.137 7.531 15 HG SER 3 HG SER 3 12.237 33.363 7.835 16 H GLY 4 H GLY 4 8.692 30.954 4.425 17 HA2 GLY 4 1HA GLY 4 7.798 28.713 5.961 18 HA3 GLY 4 2HA GLY 4 7.045 29.375 4.514 19 H SER 5 H SER 5 10.161 28.515 3.626 20 HA SER 5 HA SER 5 9.627 25.641 3.139 21 HB2 SER 5 1HB SER 5 8.730 26.782 1.154 22 HB3 SER 5 2HB SER 5 10.276 27.622 0.921 23 HG SER 5 HG SER 5 9.977 25.666 -0.356 24 H SER 6 H SER 6 11.472 24.403 2.785 25 HA SER 6 HA SER 6 14.056 25.446 3.710 26 HB2 SER 6 1HB SER 6 14.788 23.125 3.422 27 HB3 SER 6 2HB SER 6 13.275 23.202 4.345 28 HG SER 6 HG SER 6 13.114 21.601 2.759 29 H GLY 7 H GLY 7 12.452 25.112 0.659 30 HA2 GLY 7 1HA GLY 7 13.118 25.538 -1.500 31 HA3 GLY 7 2HA GLY 7 14.685 26.086 -0.901 32 H LYS 8 H LYS 8 13.937 22.877 0.126 33 HA LYS 8 HA LYS 8 16.058 21.775 -1.553 34 HB2 LYS 8 1HB LYS 8 15.687 21.292 0.904 35 HB3 LYS 8 2HB LYS 8 14.300 20.294 0.442 36 HG2 LYS 8 1HG LYS 8 15.753 18.783 -0.823 37 HG3 LYS 8 2HG LYS 8 17.131 19.885 -0.625 38 HD2 LYS 8 1HD LYS 8 17.030 19.536 1.845 39 HD3 LYS 8 2HD LYS 8 15.720 18.357 1.606 40 HE2 LYS 8 1HE LYS 8 17.217 16.960 0.219 41 HE3 LYS 8 2HE LYS 8 18.500 18.168 0.352 42 HZ1 LYS 8 3HZ LYS 8 18.571 17.765 2.745 43 HZ2 LYS 8 1HZ LYS 8 18.821 16.366 1.949 44 HZ3 LYS 8 2HZ LYS 8 17.375 16.656 2.653 45 H ILE 9 H ILE 9 15.926 20.019 -2.961 46 HA ILE 9 HA ILE 9 13.306 19.460 -4.260 47 HB ILE 9 HB ILE 9 15.773 20.459 -5.748 48 HG12 ILE 9 1HG1 ILE 9 13.152 21.923 -5.181 49 HG13 ILE 9 2HG1 ILE 9 14.731 22.321 -4.499 50 HG21 ILE 9 1HG2 ILE 9 12.965 19.801 -6.704 51 HG22 ILE 9 2HG2 ILE 9 14.259 20.489 -7.712 52 HG23 ILE 9 3HG2 ILE 9 14.447 18.881 -7.069 53 HD11 ILE 9 3HD1 ILE 9 14.328 23.897 -6.198 54 HD12 ILE 9 1HD1 ILE 9 15.584 22.800 -6.802 55 HD13 ILE 9 2HD1 ILE 9 13.904 22.662 -7.385 56 H PHE 10 H PHE 10 13.166 17.494 -5.259 57 HA PHE 10 HA PHE 10 15.527 15.661 -5.307 58 HB2 PHE 10 1HB PHE 10 12.684 14.987 -4.445 59 HB3 PHE 10 2HB PHE 10 14.024 13.861 -4.576 60 HD1 PHE 10 1HD PHE 10 12.619 16.652 -2.605 61 HD2 PHE 10 2HD PHE 10 15.782 13.741 -2.878 62 HE1 PHE 10 1HE PHE 10 13.237 17.108 -0.241 63 HE2 PHE 10 2HE PHE 10 16.403 14.197 -0.519 64 HZ PHE 10 HZ PHE 10 15.111 15.855 0.816 65 H THR 11 H THR 11 15.600 14.227 -7.104 66 HA THR 11 HA THR 11 13.589 14.704 -9.264 67 HB THR 11 HB THR 11 16.609 14.742 -9.565 68 HG1 THR 11 1HG THR 11 16.345 16.939 -9.863 69 HG21 THR 11 3HG2 THR 11 16.106 15.696 -11.802 70 HG22 THR 11 1HG2 THR 11 14.372 15.428 -11.517 71 HG23 THR 11 2HG2 THR 11 15.490 14.050 -11.632 72 H CYS 12 H CYS 12 13.058 13.026 -10.533 73 HA CYS 12 HA CYS 12 13.827 10.313 -9.872 74 HB2 CYS 12 1HB CYS 12 11.582 10.937 -10.574 75 HB3 CYS 12 2HB CYS 12 12.201 11.518 -12.136 76 H GLU 13 H GLU 13 15.333 9.047 -10.739 77 HA GLU 13 HA GLU 13 17.214 10.144 -12.718 78 HB2 GLU 13 1HB GLU 13 18.620 8.286 -12.196 79 HB3 GLU 13 2HB GLU 13 18.034 9.012 -10.703 80 HG2 GLU 13 1HG GLU 13 16.329 7.186 -10.508 81 HG3 GLU 13 2HG GLU 13 16.972 6.455 -11.983 82 H TYR 14 H TYR 14 14.335 8.414 -12.985 83 HA TYR 14 HA TYR 14 15.195 6.929 -15.437 84 HB2 TYR 14 1HB TYR 14 12.746 6.642 -13.695 85 HB3 TYR 14 2HB TYR 14 13.122 5.653 -15.092 86 HD1 TYR 14 2HD TYR 14 15.181 4.156 -15.049 87 HD2 TYR 14 1HD TYR 14 13.621 6.112 -11.536 88 HE1 TYR 14 2HE TYR 14 16.352 2.495 -13.599 89 HE2 TYR 14 1HE TYR 14 14.768 4.435 -10.092 90 HH TYR 14 HH TYR 14 16.107 2.581 -10.025 91 H CYS 15 H CYS 15 12.871 9.418 -14.372 92 HA CYS 15 HA CYS 15 12.259 9.948 -17.231 93 HB2 CYS 15 1HB CYS 15 9.937 10.230 -16.836 94 HB3 CYS 15 2HB CYS 15 10.439 8.609 -16.364 95 H ASN 16 H ASN 16 13.737 11.284 -14.733 96 HA ASN 16 HA ASN 16 14.381 13.337 -14.130 97 HB2 ASN 16 1HB ASN 16 13.611 14.091 -16.964 98 HB3 ASN 16 2HB ASN 16 14.722 14.968 -15.917 99 HD21 ASN 16 1HD2 ASN 16 16.703 13.733 -15.146 100 HD22 ASN 16 2HD2 ASN 16 17.376 12.572 -16.279 101 H LYS 17 H LYS 17 11.345 12.780 -13.851 102 HA LYS 17 HA LYS 17 10.094 15.362 -13.538 103 HB2 LYS 17 1HB LYS 17 9.653 12.634 -12.277 104 HB3 LYS 17 2HB LYS 17 8.666 14.048 -11.847 105 HG2 LYS 17 1HG LYS 17 7.905 14.286 -14.161 106 HG3 LYS 17 2HG LYS 17 8.972 12.955 -14.658 107 HD2 LYS 17 1HD LYS 17 7.751 11.486 -12.962 108 HD3 LYS 17 2HD LYS 17 6.624 12.813 -12.699 109 HE2 LYS 17 1HE LYS 17 5.732 11.102 -14.179 110 HE3 LYS 17 2HE LYS 17 5.832 12.671 -14.991 111 HZ1 LYS 17 3HZ LYS 17 6.673 10.690 -16.319 112 HZ2 LYS 17 1HZ LYS 17 7.966 10.614 -15.294 113 HZ3 LYS 17 2HZ LYS 17 7.726 11.933 -16.212 114 H VAL 18 H VAL 18 9.722 16.538 -11.718 115 HA VAL 18 HA VAL 18 11.852 16.419 -9.614 116 HB VAL 18 HB VAL 18 10.627 18.888 -10.888 117 HG11 VAL 18 1HG1 VAL 18 12.448 20.074 -9.650 118 HG12 VAL 18 2HG1 VAL 18 11.295 19.312 -8.555 119 HG13 VAL 18 3HG1 VAL 18 12.870 18.537 -8.863 120 HG21 VAL 18 3HG2 VAL 18 12.180 17.776 -12.457 121 HG22 VAL 18 1HG2 VAL 18 12.903 19.251 -11.817 122 HG23 VAL 18 2HG2 VAL 18 13.412 17.674 -11.178 123 H PHE 19 H PHE 19 11.320 16.638 -7.548 124 HA PHE 19 HA PHE 19 8.482 17.066 -6.731 125 HB2 PHE 19 1HB PHE 19 10.351 14.853 -5.791 126 HB3 PHE 19 2HB PHE 19 8.710 15.129 -5.235 127 HD1 PHE 19 1HD PHE 19 10.802 13.850 -7.994 128 HD2 PHE 19 2HD PHE 19 6.763 14.525 -6.650 129 HE1 PHE 19 1HE PHE 19 9.949 12.448 -9.854 130 HE2 PHE 19 2HE PHE 19 5.909 13.138 -8.527 131 HZ PHE 19 HZ PHE 19 7.493 12.130 -10.166 132 H LYS 20 H LYS 20 8.184 17.986 -4.691 133 HA LYS 20 HA LYS 20 10.362 19.587 -3.620 134 HB2 LYS 20 1HB LYS 20 8.708 20.254 -1.887 135 HB3 LYS 20 2HB LYS 20 8.290 20.602 -3.545 136 HG2 LYS 20 1HG LYS 20 6.726 18.662 -3.590 137 HG3 LYS 20 2HG LYS 20 7.148 18.304 -1.904 138 HD2 LYS 20 1HD LYS 20 6.370 20.583 -1.258 139 HD3 LYS 20 2HD LYS 20 5.929 20.893 -2.948 140 HE2 LYS 20 1HE LYS 20 4.346 18.972 -2.884 141 HE3 LYS 20 2HE LYS 20 4.789 18.661 -1.201 142 HZ1 LYS 20 3HZ LYS 20 3.496 21.148 -2.193 143 HZ2 LYS 20 1HZ LYS 20 3.907 20.869 -0.637 144 HZ3 LYS 20 2HZ LYS 20 2.748 19.969 -1.351 145 H PHE 21 H PHE 21 8.877 16.573 -2.547 146 HA PHE 21 HA PHE 21 10.645 16.560 -0.129 147 HB2 PHE 21 1HB PHE 21 7.915 15.295 -0.431 148 HB3 PHE 21 2HB PHE 21 8.878 15.394 1.027 149 HD1 PHE 21 2HD PHE 21 9.560 18.551 0.513 150 HD2 PHE 21 1HD PHE 21 5.962 16.169 0.630 151 HE1 PHE 21 2HE PHE 21 8.290 20.506 1.299 152 HE2 PHE 21 1HE PHE 21 4.694 18.140 1.429 153 HZ PHE 21 HZ PHE 21 5.856 20.316 1.774 154 H LYS 22 H LYS 22 11.577 14.630 0.545 155 HA LYS 22 HA LYS 22 12.429 12.809 -1.457 156 HB2 LYS 22 1HB LYS 22 13.614 13.336 0.684 157 HB3 LYS 22 2HB LYS 22 12.415 12.386 1.566 158 HG2 LYS 22 1HG LYS 22 13.063 10.370 0.239 159 HG3 LYS 22 2HG LYS 22 14.270 11.327 -0.626 160 HD2 LYS 22 1HD LYS 22 14.243 10.841 2.388 161 HD3 LYS 22 2HD LYS 22 15.172 9.893 1.218 162 HE2 LYS 22 1HE LYS 22 16.385 11.953 0.519 163 HE3 LYS 22 2HE LYS 22 15.499 12.882 1.736 164 HZ1 LYS 22 3HZ LYS 22 17.672 12.168 2.570 165 HZ2 LYS 22 1HZ LYS 22 17.312 10.598 2.324 166 HZ3 LYS 22 2HZ LYS 22 16.496 11.456 3.450 167 H HIS 23 H HIS 23 9.818 12.412 0.966 168 HA HIS 23 HA HIS 23 9.249 9.699 0.263 169 HB2 HIS 23 1HB HIS 23 7.193 9.986 1.540 170 HB3 HIS 23 2HB HIS 23 8.614 10.557 2.397 171 HD1 HIS 23 1HD HIS 23 8.479 13.018 3.314 172 HD2 HIS 23 2HD HIS 23 5.484 11.968 0.547 173 HE1 HIS 23 1HE HIS 23 6.797 14.931 3.320 174 H SER 24 H SER 24 8.084 12.748 -1.173 175 HA SER 24 HA SER 24 6.053 11.580 -2.843 176 HB2 SER 24 1HB SER 24 7.737 14.064 -3.333 177 HB3 SER 24 2HB SER 24 6.233 13.622 -4.164 178 HG SER 24 HG SER 24 5.753 15.047 -2.489 179 H LEU 25 H LEU 25 9.567 12.202 -3.402 180 HA LEU 25 HA LEU 25 9.568 11.002 -6.020 181 HB2 LEU 25 1HB LEU 25 11.344 12.517 -5.358 182 HB3 LEU 25 2HB LEU 25 11.808 11.466 -4.016 183 HG LEU 25 HG LEU 25 12.488 9.695 -5.604 184 HD11 LEU 25 1HD1 LEU 25 10.994 10.239 -7.530 185 HD12 LEU 25 2HD1 LEU 25 12.686 10.144 -7.998 186 HD13 LEU 25 3HD1 LEU 25 11.917 11.732 -7.803 187 HD21 LEU 25 3HD2 LEU 25 14.132 11.376 -4.853 188 HD22 LEU 25 1HD2 LEU 25 13.746 12.361 -6.288 189 HD23 LEU 25 2HD2 LEU 25 14.482 10.761 -6.478 190 H GLN 26 H GLN 26 10.341 9.599 -2.763 191 HA GLN 26 HA GLN 26 10.996 6.995 -3.664 192 HB2 GLN 26 1HB GLN 26 9.719 8.001 -1.097 193 HB3 GLN 26 2HB GLN 26 10.113 6.309 -1.330 194 HG2 GLN 26 1HG GLN 26 12.166 8.564 -1.538 195 HG3 GLN 26 2HG GLN 26 11.856 7.627 -0.078 196 HE21 GLN 26 1HE2 GLN 26 12.249 5.197 -0.220 197 HE22 GLN 26 2HE2 GLN 26 13.503 4.669 -1.333 198 H ALA 27 H ALA 27 7.731 8.312 -2.918 199 HA ALA 27 HA ALA 27 6.385 5.837 -3.519 200 HB1 ALA 27 1HB ALA 27 5.475 7.557 -2.039 201 HB2 ALA 27 2HB ALA 27 5.356 8.691 -3.412 202 HB3 ALA 27 3HB ALA 27 4.369 7.209 -3.390 203 H HIS 28 H HIS 28 7.348 8.604 -5.553 204 HA HIS 28 HA HIS 28 5.929 7.739 -7.925 205 HB2 HIS 28 1HB HIS 28 6.636 10.019 -7.800 206 HB3 HIS 28 2HB HIS 28 8.301 9.574 -7.444 207 HD1 HIS 28 1HD HIS 28 5.833 9.248 -10.410 208 HD2 HIS 28 2HD HIS 28 9.924 9.158 -9.451 209 HE1 HIS 28 1HE HIS 28 7.053 9.002 -12.615 210 H LEU 29 H LEU 29 9.276 7.170 -6.730 211 HA LEU 29 HA LEU 29 10.258 5.831 -8.994 212 HB2 LEU 29 1HB LEU 29 11.004 5.620 -6.056 213 HB3 LEU 29 2HB LEU 29 11.892 4.777 -7.306 214 HG LEU 29 HG LEU 29 11.570 7.800 -7.289 215 HD11 LEU 29 1HD1 LEU 29 13.900 6.058 -6.386 216 HD12 LEU 29 2HD1 LEU 29 12.852 7.030 -5.329 217 HD13 LEU 29 3HD1 LEU 29 13.908 7.832 -6.502 218 HD21 LEU 29 3HD2 LEU 29 13.504 7.722 -8.848 219 HD22 LEU 29 1HD2 LEU 29 12.061 6.981 -9.523 220 HD23 LEU 29 2HD2 LEU 29 13.369 5.950 -8.891 221 H ARG 30 H ARG 30 8.015 4.528 -6.681 222 HA ARG 30 HA ARG 30 8.252 1.737 -6.962 223 HB2 ARG 30 1HB ARG 30 5.845 3.596 -6.915 224 HB3 ARG 30 2HB ARG 30 5.673 1.840 -6.907 225 HG2 ARG 30 1HG ARG 30 6.782 1.594 -4.820 226 HG3 ARG 30 2HG ARG 30 7.370 3.256 -4.821 227 HD2 ARG 30 1HD ARG 30 5.459 2.794 -3.252 228 HD3 ARG 30 2HD ARG 30 5.239 4.157 -4.325 229 HE ARG 30 HE ARG 30 3.821 1.551 -4.445 230 HH11 ARG 30 2HH1 ARG 30 4.127 4.773 -5.875 231 HH12 ARG 30 1HH1 ARG 30 2.545 4.667 -6.596 232 HH21 ARG 30 2HH2 ARG 30 1.847 1.513 -5.444 233 HH22 ARG 30 1HH2 ARG 30 1.312 2.874 -6.384 234 H ILE 31 H ILE 31 7.021 4.003 -9.475 235 HA ILE 31 HA ILE 31 6.026 1.873 -11.145 236 HB ILE 31 HB ILE 31 5.580 3.426 -12.778 237 HG12 ILE 31 1HG1 ILE 31 7.395 5.464 -11.446 238 HG13 ILE 31 2HG1 ILE 31 7.671 4.632 -12.973 239 HG21 ILE 31 1HG2 ILE 31 5.131 4.921 -10.167 240 HG22 ILE 31 2HG2 ILE 31 4.114 4.936 -11.620 241 HG23 ILE 31 3HG2 ILE 31 4.228 3.466 -10.651 242 HD11 ILE 31 3HD1 ILE 31 5.498 6.663 -12.412 243 HD12 ILE 31 1HD1 ILE 31 6.879 6.800 -13.518 244 HD13 ILE 31 2HD1 ILE 31 5.573 5.657 -13.882 245 H HIS 32 H HIS 32 9.188 3.198 -10.770 246 HA HIS 32 HA HIS 32 10.230 1.845 -13.221 247 HB2 HIS 32 1HB HIS 32 11.684 3.706 -11.322 248 HB3 HIS 32 2HB HIS 32 12.175 3.216 -12.935 249 HD1 HIS 32 1HD HIS 32 10.347 4.260 -14.953 250 HD2 HIS 32 2HD HIS 32 10.735 6.048 -11.179 251 HE1 HIS 32 1HE HIS 32 9.612 6.675 -15.252 252 H THR 33 H THR 33 10.330 1.678 -9.721 253 HA THR 33 HA THR 33 12.692 -0.109 -9.697 254 HB THR 33 HB THR 33 11.482 1.255 -7.286 255 HG1 THR 33 1HG THR 33 11.805 2.867 -8.724 256 HG21 THR 33 3HG2 THR 33 14.349 0.494 -8.014 257 HG22 THR 33 1HG2 THR 33 13.354 -0.267 -6.753 258 HG23 THR 33 2HG2 THR 33 13.857 1.413 -6.573 259 H ASN 34 H ASN 34 9.775 -0.992 -10.186 260 HA ASN 34 HA ASN 34 9.281 -2.873 -7.992 261 HB2 ASN 34 1HB ASN 34 7.392 -3.655 -9.431 262 HB3 ASN 34 2HB ASN 34 7.342 -1.967 -8.955 263 HD21 ASN 34 1HD2 ASN 34 7.549 -0.342 -10.506 264 HD22 ASN 34 2HD2 ASN 34 7.521 -0.687 -12.236 265 H GLU 35 H GLU 35 11.641 -3.531 -8.327 266 HA GLU 35 HA GLU 35 12.167 -5.514 -10.403 267 HB2 GLU 35 1HB GLU 35 14.359 -5.682 -9.414 268 HB3 GLU 35 2HB GLU 35 13.898 -3.994 -9.601 269 HG2 GLU 35 1HG GLU 35 13.360 -3.844 -7.190 270 HG3 GLU 35 2HG GLU 35 13.728 -5.555 -6.983 271 H LYS 36 H LYS 36 10.329 -5.842 -7.695 272 HA LYS 36 HA LYS 36 11.110 -8.296 -6.481 273 HB2 LYS 36 1HB LYS 36 8.374 -7.025 -6.839 274 HB3 LYS 36 2HB LYS 36 8.709 -8.413 -5.799 275 HG2 LYS 36 1HG LYS 36 10.341 -7.035 -4.507 276 HG3 LYS 36 2HG LYS 36 9.922 -5.631 -5.510 277 HD2 LYS 36 1HD LYS 36 7.515 -5.923 -4.786 278 HD3 LYS 36 2HD LYS 36 8.052 -7.156 -3.641 279 HE2 LYS 36 1HE LYS 36 8.990 -4.247 -3.708 280 HE3 LYS 36 2HE LYS 36 7.735 -4.879 -2.642 281 HZ1 LYS 36 3HZ LYS 36 10.582 -5.734 -2.600 282 HZ2 LYS 36 1HZ LYS 36 9.409 -6.336 -1.627 283 HZ3 LYS 36 2HZ LYS 36 9.858 -4.776 -1.501 284 HA PRO 37 HA PRO 37 10.637 -10.929 -9.949 285 HB2 PRO 37 1HB PRO 37 10.802 -13.428 -8.801 286 HB3 PRO 37 2HB PRO 37 12.169 -12.286 -8.924 287 HG2 PRO 37 1HG PRO 37 10.322 -12.703 -6.549 288 HG3 PRO 37 2HG PRO 37 12.117 -12.693 -6.567 289 HD2 PRO 37 1HD PRO 37 10.734 -10.464 -5.907 290 HD3 PRO 37 2HD PRO 37 12.185 -10.348 -6.943 291 H TYR 38 H TYR 38 8.383 -11.736 -7.271 292 HA TYR 38 HA TYR 38 6.779 -13.403 -9.090 293 HB2 TYR 38 1HB TYR 38 6.371 -12.894 -6.151 294 HB3 TYR 38 2HB TYR 38 5.692 -14.193 -7.116 295 HD1 TYR 38 1HD TYR 38 7.903 -15.356 -8.604 296 HD2 TYR 38 2HD TYR 38 7.837 -13.761 -4.602 297 HE1 TYR 38 1HE TYR 38 9.871 -16.760 -8.011 298 HE2 TYR 38 2HE TYR 38 9.764 -15.228 -3.989 299 HH TYR 38 HH TYR 38 11.339 -16.715 -4.744 300 H LYS 39 H LYS 39 5.904 -11.930 -10.498 301 HA LYS 39 HA LYS 39 4.114 -9.806 -9.485 302 HB2 LYS 39 1HB LYS 39 5.223 -10.427 -12.234 303 HB3 LYS 39 2HB LYS 39 4.001 -9.174 -11.925 304 HG2 LYS 39 1HG LYS 39 5.476 -8.119 -10.282 305 HG3 LYS 39 2HG LYS 39 6.728 -9.336 -10.563 306 HD2 LYS 39 1HD LYS 39 6.950 -8.534 -12.902 307 HD3 LYS 39 2HD LYS 39 5.700 -7.299 -12.585 308 HE2 LYS 39 1HE LYS 39 7.095 -6.450 -10.669 309 HE3 LYS 39 2HE LYS 39 8.353 -7.612 -11.093 310 HZ1 LYS 39 3HZ LYS 39 8.801 -5.425 -11.984 311 HZ2 LYS 39 1HZ LYS 39 7.413 -5.385 -12.824 312 HZ3 LYS 39 2HZ LYS 39 8.582 -6.466 -13.238 313 H CYS 40 H CYS 40 2.017 -9.592 -9.835 314 HA CYS 40 HA CYS 40 0.442 -11.964 -9.810 315 HB2 CYS 40 1HB CYS 40 -0.044 -10.010 -8.520 316 HB3 CYS 40 2HB CYS 40 -0.229 -9.017 -9.978 317 HA PRO 41 HA PRO 41 -0.415 -12.249 -14.250 318 HB2 PRO 41 1HB PRO 41 -2.337 -14.185 -14.230 319 HB3 PRO 41 2HB PRO 41 -0.615 -14.526 -13.880 320 HG2 PRO 41 1HG PRO 41 -2.862 -14.070 -11.891 321 HG3 PRO 41 2HG PRO 41 -1.650 -15.388 -11.907 322 HD2 PRO 41 1HD PRO 41 -1.362 -13.126 -10.385 323 HD3 PRO 41 2HD PRO 41 0.043 -13.966 -11.107 324 H GLN 42 H GLN 42 -2.542 -11.023 -11.820 325 HA GLN 42 HA GLN 42 -4.604 -10.239 -13.846 326 HB2 GLN 42 1HB GLN 42 -4.835 -10.620 -10.852 327 HB3 GLN 42 2HB GLN 42 -6.135 -10.066 -11.898 328 HG2 GLN 42 1HG GLN 42 -4.765 -12.786 -12.073 329 HG3 GLN 42 2HG GLN 42 -6.296 -12.467 -11.288 330 HE21 GLN 42 1HE2 GLN 42 -6.180 -14.410 -13.271 331 HE22 GLN 42 2HE2 GLN 42 -7.040 -13.815 -14.683 332 H CYS 43 H CYS 43 -2.373 -8.800 -11.395 333 HA CYS 43 HA CYS 43 -3.159 -6.153 -12.464 334 HB2 CYS 43 1HB CYS 43 -3.591 -5.224 -10.295 335 HB3 CYS 43 2HB CYS 43 -4.641 -6.609 -10.542 336 H SER 44 H SER 44 -1.790 -4.460 -11.017 337 HA SER 44 HA SER 44 0.941 -4.810 -11.875 338 HB2 SER 44 1HB SER 44 -0.248 -2.635 -10.118 339 HB3 SER 44 2HB SER 44 1.266 -2.547 -11.032 340 HG SER 44 HG SER 44 0.060 -2.688 -12.960 341 H TYR 45 H TYR 45 -0.446 -6.114 -9.147 342 HA TYR 45 HA TYR 45 1.338 -5.546 -7.033 343 HB2 TYR 45 1HB TYR 45 -0.809 -6.607 -6.728 344 HB3 TYR 45 2HB TYR 45 -0.340 -7.979 -7.720 345 HD1 TYR 45 1HD TYR 45 1.309 -9.677 -6.787 346 HD2 TYR 45 2HD TYR 45 -0.108 -6.356 -4.422 347 HE1 TYR 45 1HE TYR 45 2.157 -10.781 -4.723 348 HE2 TYR 45 2HE TYR 45 0.718 -7.477 -2.361 349 HH TYR 45 HH TYR 45 1.757 -9.303 -1.482 350 H ALA 46 H ALA 46 3.164 -6.426 -6.297 351 HA ALA 46 HA ALA 46 4.361 -8.797 -7.549 352 HB1 ALA 46 1HB ALA 46 6.473 -7.804 -8.000 353 HB2 ALA 46 2HB ALA 46 5.277 -6.686 -8.693 354 HB3 ALA 46 3HB ALA 46 6.040 -6.295 -7.147 355 H SER 47 H SER 47 5.658 -10.024 -6.164 356 HA SER 47 HA SER 47 6.349 -8.897 -3.495 357 HB2 SER 47 1HB SER 47 5.664 -10.851 -2.336 358 HB3 SER 47 2HB SER 47 4.290 -10.308 -3.308 359 HG SER 47 HG SER 47 5.143 -12.694 -3.301 360 H ALA 48 H ALA 48 8.061 -9.935 -2.384 361 HA ALA 48 HA ALA 48 10.082 -11.271 -4.099 362 HB1 ALA 48 1HB ALA 48 10.291 -10.074 -1.311 363 HB2 ALA 48 2HB ALA 48 11.629 -10.705 -2.293 364 HB3 ALA 48 3HB ALA 48 10.744 -9.268 -2.835 365 H ILE 49 H ILE 49 7.537 -12.266 -2.261 366 HA ILE 49 HA ILE 49 8.767 -14.851 -1.419 367 HB ILE 49 HB ILE 49 6.808 -13.117 0.138 368 HG12 ILE 49 1HG1 ILE 49 9.690 -13.939 0.680 369 HG13 ILE 49 2HG1 ILE 49 9.099 -12.314 0.343 370 HG21 ILE 49 1HG2 ILE 49 6.198 -15.503 0.347 371 HG22 ILE 49 2HG2 ILE 49 7.870 -15.895 0.826 372 HG23 ILE 49 3HG2 ILE 49 6.819 -14.888 1.850 373 HD11 ILE 49 3HD1 ILE 49 9.522 -12.425 2.676 374 HD12 ILE 49 1HD1 ILE 49 7.758 -12.399 2.468 375 HD13 ILE 49 2HD1 ILE 49 8.598 -13.922 2.862 376 H LYS 50 H LYS 50 7.779 -16.516 -2.363 377 HA LYS 50 HA LYS 50 5.628 -16.227 -4.212 378 HB2 LYS 50 1HB LYS 50 6.781 -18.715 -2.877 379 HB3 LYS 50 2HB LYS 50 5.630 -18.735 -4.229 380 HG2 LYS 50 1HG LYS 50 7.304 -17.414 -5.577 381 HG3 LYS 50 2HG LYS 50 8.434 -17.592 -4.220 382 HD2 LYS 50 1HD LYS 50 9.006 -19.226 -5.852 383 HD3 LYS 50 2HD LYS 50 8.312 -20.069 -4.460 384 HE2 LYS 50 1HE LYS 50 6.139 -20.254 -5.664 385 HE3 LYS 50 2HE LYS 50 6.816 -19.356 -7.029 386 HZ1 LYS 50 3HZ LYS 50 6.895 -21.754 -7.414 387 HZ2 LYS 50 1HZ LYS 50 7.794 -21.998 -6.075 388 HZ3 LYS 50 2HZ LYS 50 8.415 -21.171 -7.340 389 H ALA 51 H ALA 51 5.549 -17.344 -0.842 390 HA ALA 51 HA ALA 51 2.823 -18.129 -0.750 391 HB1 ALA 51 1HB ALA 51 3.094 -17.926 1.681 392 HB2 ALA 51 2HB ALA 51 4.512 -18.704 0.955 393 HB3 ALA 51 3HB ALA 51 4.589 -16.999 1.463 394 H ASN 52 H ASN 52 4.260 -14.861 -0.551 395 HA ASN 52 HA ASN 52 1.818 -13.604 0.411 396 HB2 ASN 52 1HB ASN 52 4.343 -12.464 -0.865 397 HB3 ASN 52 2HB ASN 52 3.007 -11.496 -0.271 398 HD21 ASN 52 1HD2 ASN 52 5.078 -10.670 0.920 399 HD22 ASN 52 2HD2 ASN 52 5.298 -11.385 2.509 400 H LEU 53 H LEU 53 3.239 -14.113 -2.867 401 HA LEU 53 HA LEU 53 1.082 -12.836 -4.268 402 HB2 LEU 53 1HB LEU 53 3.215 -13.248 -5.348 403 HB3 LEU 53 2HB LEU 53 3.062 -14.988 -5.096 404 HG LEU 53 HG LEU 53 1.133 -15.073 -6.638 405 HD11 LEU 53 1HD1 LEU 53 0.237 -12.767 -6.321 406 HD12 LEU 53 2HD1 LEU 53 0.524 -13.150 -8.012 407 HD13 LEU 53 3HD1 LEU 53 1.679 -12.114 -7.135 408 HD21 LEU 53 3HD2 LEU 53 3.504 -13.613 -7.840 409 HD22 LEU 53 1HD2 LEU 53 2.345 -14.639 -8.706 410 HD23 LEU 53 2HD2 LEU 53 3.430 -15.357 -7.501 411 H ASN 54 H ASN 54 1.588 -16.235 -3.212 412 HA ASN 54 HA ASN 54 -0.752 -17.360 -4.308 413 HB2 ASN 54 1HB ASN 54 1.080 -18.656 -3.323 414 HB3 ASN 54 2HB ASN 54 0.706 -18.028 -1.722 415 HD21 ASN 54 1HD2 ASN 54 -0.699 -19.219 -0.466 416 HD22 ASN 54 2HD2 ASN 54 -1.708 -20.502 -1.106 417 H VAL 55 H VAL 55 -0.414 -15.709 -1.120 418 HA VAL 55 HA VAL 55 -3.240 -15.891 -0.470 419 HB VAL 55 HB VAL 55 -1.037 -14.124 0.579 420 HG11 VAL 55 1HG1 VAL 55 -3.148 -12.985 1.078 421 HG12 VAL 55 2HG1 VAL 55 -3.858 -14.506 1.670 422 HG13 VAL 55 3HG1 VAL 55 -2.524 -13.727 2.549 423 HG21 VAL 55 3HG2 VAL 55 -2.398 -16.580 1.776 424 HG22 VAL 55 1HG2 VAL 55 -0.782 -16.562 1.049 425 HG23 VAL 55 2HG2 VAL 55 -1.085 -15.636 2.519 426 H HIS 56 H HIS 56 -1.278 -13.311 -2.061 427 HA HIS 56 HA HIS 56 -3.315 -11.351 -2.235 428 HB2 HIS 56 1HB HIS 56 -1.031 -10.804 -2.753 429 HB3 HIS 56 2HB HIS 56 -0.961 -12.012 -4.037 430 HD1 HIS 56 1HD HIS 56 -2.649 -8.602 -3.372 431 HD2 HIS 56 2HD HIS 56 -1.807 -11.363 -6.426 432 HE1 HIS 56 1HE HIS 56 -3.432 -7.512 -5.521 433 H LEU 57 H LEU 57 -2.775 -14.140 -4.426 434 HA LEU 57 HA LEU 57 -4.678 -13.418 -6.409 435 HB2 LEU 57 1HB LEU 57 -3.699 -16.064 -5.364 436 HB3 LEU 57 2HB LEU 57 -4.765 -15.967 -6.758 437 HG LEU 57 HG LEU 57 -2.134 -14.432 -6.701 438 HD11 LEU 57 1HD1 LEU 57 -1.692 -16.794 -6.226 439 HD12 LEU 57 2HD1 LEU 57 -1.107 -16.331 -7.840 440 HD13 LEU 57 3HD1 LEU 57 -2.617 -17.273 -7.664 441 HD21 LEU 57 3HD2 LEU 57 -2.331 -14.679 -9.150 442 HD22 LEU 57 1HD2 LEU 57 -3.699 -13.785 -8.476 443 HD23 LEU 57 2HD2 LEU 57 -3.896 -15.488 -8.953 444 H ARG 58 H ARG 58 -5.257 -14.848 -3.225 445 HA ARG 58 HA ARG 58 -8.054 -15.507 -3.619 446 HB2 ARG 58 1HB ARG 58 -6.506 -14.807 -1.082 447 HB3 ARG 58 2HB ARG 58 -8.209 -15.168 -1.100 448 HG2 ARG 58 1HG ARG 58 -7.142 -17.134 -0.450 449 HG3 ARG 58 2HG ARG 58 -7.776 -17.396 -2.076 450 HD2 ARG 58 1HD ARG 58 -5.485 -17.102 -2.989 451 HD3 ARG 58 2HD ARG 58 -4.869 -16.846 -1.342 452 HE ARG 58 HE ARG 58 -6.128 -19.234 -1.066 453 HH11 ARG 58 2HH1 ARG 58 -3.733 -18.237 -3.378 454 HH12 ARG 58 1HH1 ARG 58 -3.216 -19.865 -3.702 455 HH21 ARG 58 2HH2 ARG 58 -5.462 -21.306 -1.545 456 HH22 ARG 58 1HH2 ARG 58 -4.252 -21.562 -2.769 457 H LYS 59 H LYS 59 -6.542 -12.377 -3.307 458 HA LYS 59 HA LYS 59 -9.012 -10.969 -2.563 459 HB2 LYS 59 1HB LYS 59 -6.415 -9.824 -3.667 460 HB3 LYS 59 2HB LYS 59 -7.735 -8.935 -2.910 461 HG2 LYS 59 1HG LYS 59 -7.359 -10.244 -0.792 462 HG3 LYS 59 2HG LYS 59 -5.935 -10.989 -1.547 463 HD2 LYS 59 1HD LYS 59 -4.903 -8.756 -1.829 464 HD3 LYS 59 2HD LYS 59 -6.334 -8.001 -1.087 465 HE2 LYS 59 1HE LYS 59 -5.943 -9.353 0.982 466 HE3 LYS 59 2HE LYS 59 -4.483 -10.030 0.252 467 HZ1 LYS 59 3HZ LYS 59 -3.567 -7.763 0.164 468 HZ2 LYS 59 1HZ LYS 59 -3.967 -8.146 1.698 469 HZ3 LYS 59 2HZ LYS 59 -4.923 -7.147 0.836 470 H HIS 60 H HIS 60 -7.690 -12.132 -5.526 471 HA HIS 60 HA HIS 60 -9.466 -10.496 -7.231 472 HB2 HIS 60 1HB HIS 60 -7.564 -12.777 -7.864 473 HB3 HIS 60 2HB HIS 60 -8.586 -11.957 -9.038 474 HD1 HIS 60 1HD HIS 60 -8.141 -9.128 -9.098 475 HD2 HIS 60 2HD HIS 60 -5.180 -11.700 -7.570 476 HE1 HIS 60 1HE HIS 60 -5.999 -7.785 -9.115 477 H THR 61 H THR 61 -11.348 -11.038 -6.031 478 HA THR 61 HA THR 61 -12.324 -13.742 -5.768 479 HB THR 61 HB THR 61 -14.263 -12.557 -4.669 480 HG1 THR 61 1HG THR 61 -14.151 -10.631 -5.822 481 HG21 THR 61 3HG2 THR 61 -11.490 -11.693 -3.747 482 HG22 THR 61 1HG2 THR 61 -12.268 -13.242 -3.380 483 HG23 THR 61 2HG2 THR 61 -12.973 -11.734 -2.765 484 H GLY 62 H GLY 62 -12.091 -13.649 -8.402 485 HA2 GLY 62 1HA GLY 62 -13.251 -13.997 -10.392 486 HA3 GLY 62 2HA GLY 62 -14.784 -13.847 -9.524 487 H GLU 63 H GLU 63 -12.178 -11.484 -9.626 488 HA GLU 63 HA GLU 63 -12.011 -9.304 -10.088 489 HB2 GLU 63 1HB GLU 63 -14.024 -9.790 -12.303 490 HB3 GLU 63 2HB GLU 63 -13.118 -8.304 -12.058 491 HG2 GLU 63 1HG GLU 63 -10.985 -9.501 -12.309 492 HG3 GLU 63 2HG GLU 63 -11.847 -11.021 -12.536 493 H LYS 64 H LYS 64 -12.994 -7.194 -10.154 494 HA LYS 64 HA LYS 64 -15.385 -6.936 -8.378 495 HB2 LYS 64 1HB LYS 64 -12.628 -5.696 -8.035 496 HB3 LYS 64 2HB LYS 64 -14.082 -5.044 -7.273 497 HG2 LYS 64 1HG LYS 64 -14.485 -7.172 -6.115 498 HG3 LYS 64 2HG LYS 64 -13.018 -7.869 -6.833 499 HD2 LYS 64 1HD LYS 64 -11.590 -6.305 -5.672 500 HD3 LYS 64 2HD LYS 64 -12.961 -5.289 -5.222 501 HE2 LYS 64 1HE LYS 64 -12.309 -6.421 -3.266 502 HE3 LYS 64 2HE LYS 64 -13.860 -7.085 -3.787 503 HZ1 LYS 64 3HZ LYS 64 -12.729 -9.052 -4.601 504 HZ2 LYS 64 1HZ LYS 64 -12.213 -8.793 -3.086 505 HZ3 LYS 64 2HZ LYS 64 -11.239 -8.418 -4.339 506 H PHE 65 H PHE 65 -16.484 -5.003 -8.494 507 HA PHE 65 HA PHE 65 -15.923 -3.137 -10.755 508 HB2 PHE 65 1HB PHE 65 -18.651 -4.021 -9.746 509 HB3 PHE 65 2HB PHE 65 -18.299 -2.992 -11.128 510 HD1 PHE 65 2HD PHE 65 -17.218 -3.978 -13.197 511 HD2 PHE 65 1HD PHE 65 -18.574 -6.423 -9.918 512 HE1 PHE 65 2HE PHE 65 -17.112 -5.991 -14.650 513 HE2 PHE 65 1HE PHE 65 -18.486 -8.435 -11.377 514 HZ PHE 65 HZ PHE 65 -17.756 -8.220 -13.745 515 H ALA 66 H ALA 66 -16.594 -0.919 -10.358 516 HA ALA 66 HA ALA 66 -16.951 -0.195 -7.485 517 HB1 ALA 66 1HB ALA 66 -14.880 0.979 -9.379 518 HB2 ALA 66 2HB ALA 66 -15.172 1.463 -7.695 519 HB3 ALA 66 3HB ALA 66 -14.542 -0.156 -8.055 520 H CYS 67 H CYS 67 -18.004 1.657 -7.022 521 HA CYS 67 HA CYS 67 -19.964 2.634 -8.860 522 HB2 CYS 67 1HB CYS 67 -20.195 2.352 -6.421 523 HB3 CYS 67 2HB CYS 67 -19.036 3.661 -6.154 524 H ASP 68 H ASP 68 -20.224 4.603 -9.803 525 HA ASP 68 HA ASP 68 -17.775 6.159 -10.451 526 HB2 ASP 68 1HB ASP 68 -19.276 5.229 -12.246 527 HB3 ASP 68 2HB ASP 68 -20.546 6.312 -11.681 528 H TYR 69 H TYR 69 -20.279 6.292 -8.220 529 HA TYR 69 HA TYR 69 -20.358 9.286 -8.097 530 HB2 TYR 69 1HB TYR 69 -22.421 7.265 -7.237 531 HB3 TYR 69 2HB TYR 69 -22.602 9.012 -7.196 532 HD1 TYR 69 1HD TYR 69 -22.949 10.291 -9.293 533 HD2 TYR 69 2HD TYR 69 -22.581 5.992 -9.307 534 HE1 TYR 69 1HE TYR 69 -23.827 10.218 -11.623 535 HE2 TYR 69 2HE TYR 69 -23.441 5.924 -11.640 536 HH TYR 69 HH TYR 69 -24.108 7.144 -13.453 537 H CYS 70 H CYS 70 -19.554 6.423 -6.265 538 HA CYS 70 HA CYS 70 -18.593 8.070 -4.057 539 HB2 CYS 70 1HB CYS 70 -19.688 6.932 -2.285 540 HB3 CYS 70 2HB CYS 70 -20.907 7.543 -3.384 541 H SER 71 H SER 71 -17.778 6.151 -2.310 542 HA SER 71 HA SER 71 -15.529 4.914 -3.717 543 HB2 SER 71 1HB SER 71 -16.189 4.961 -0.753 544 HB3 SER 71 2HB SER 71 -14.643 4.492 -1.485 545 HG SER 71 HG SER 71 -14.631 6.670 -0.754 546 H PHE 72 H PHE 72 -18.578 3.712 -3.284 547 HA PHE 72 HA PHE 72 -18.221 1.184 -2.062 548 HB2 PHE 72 1HB PHE 72 -20.371 2.257 -2.347 549 HB3 PHE 72 2HB PHE 72 -20.217 2.202 -4.094 550 HD1 PHE 72 1HD PHE 72 -20.651 0.049 -1.062 551 HD2 PHE 72 2HD PHE 72 -20.965 0.340 -5.350 552 HE1 PHE 72 1HE PHE 72 -21.903 -2.099 -1.122 553 HE2 PHE 72 2HE PHE 72 -22.235 -1.792 -5.406 554 HZ PHE 72 HZ PHE 72 -22.697 -3.020 -3.293 555 H THR 73 H THR 73 -17.929 -0.883 -2.768 556 HA THR 73 HA THR 73 -17.332 -1.434 -5.623 557 HB THR 73 HB THR 73 -15.655 -3.136 -4.886 558 HG1 THR 73 1HG THR 73 -14.739 -2.837 -2.828 559 HG21 THR 73 3HG2 THR 73 -14.894 -0.289 -4.131 560 HG22 THR 73 1HG2 THR 73 -14.912 -0.958 -5.779 561 HG23 THR 73 2HG2 THR 73 -13.794 -1.620 -4.575 562 H CYS 74 H CYS 74 -17.789 -3.535 -6.346 563 HA CYS 74 HA CYS 74 -19.226 -5.387 -4.541 564 HB2 CYS 74 1HB CYS 74 -20.871 -3.717 -5.577 565 HB3 CYS 74 2HB CYS 74 -20.488 -4.437 -7.149 566 HG CYS 74 HG CYS 74 -21.704 -5.834 -4.380 567 H LEU 75 H LEU 75 -19.486 -7.516 -5.421 568 HA LEU 75 HA LEU 75 -17.420 -8.327 -7.386 569 HB2 LEU 75 1HB LEU 75 -19.149 -9.765 -5.355 570 HB3 LEU 75 2HB LEU 75 -18.361 -10.648 -6.650 571 HG LEU 75 HG LEU 75 -16.151 -9.904 -5.937 572 HD11 LEU 75 1HD1 LEU 75 -17.585 -8.560 -3.608 573 HD12 LEU 75 2HD1 LEU 75 -16.566 -7.769 -4.837 574 HD13 LEU 75 3HD1 LEU 75 -15.838 -8.884 -3.683 575 HD21 LEU 75 3HD2 LEU 75 -17.096 -11.998 -5.068 576 HD22 LEU 75 1HD2 LEU 75 -17.846 -11.120 -3.713 577 HD23 LEU 75 2HD2 LEU 75 -16.078 -11.228 -3.841 578 H SER 76 H SER 76 -20.532 -7.241 -7.686 579 HA SER 76 HA SER 76 -20.980 -8.706 -10.248 580 HB2 SER 76 1HB SER 76 -22.411 -9.827 -8.681 581 HB3 SER 76 2HB SER 76 -22.921 -8.297 -7.964 582 HG SER 76 HG SER 76 -23.628 -9.409 -10.471 583 H LYS 77 H LYS 77 -21.292 -7.350 -11.885 584 HA LYS 77 HA LYS 77 -21.644 -4.504 -11.561 585 HB2 LYS 77 1HB LYS 77 -21.787 -4.417 -13.977 586 HB3 LYS 77 2HB LYS 77 -20.438 -5.416 -13.443 587 HG2 LYS 77 1HG LYS 77 -21.717 -7.472 -13.973 588 HG3 LYS 77 2HG LYS 77 -23.128 -6.501 -14.403 589 HD2 LYS 77 1HD LYS 77 -22.032 -7.217 -16.416 590 HD3 LYS 77 2HD LYS 77 -21.874 -5.463 -16.263 591 HE2 LYS 77 1HE LYS 77 -19.555 -5.740 -15.416 592 HE3 LYS 77 2HE LYS 77 -19.724 -7.499 -15.508 593 HZ1 LYS 77 3HZ LYS 77 -19.857 -5.650 -17.835 594 HZ2 LYS 77 1HZ LYS 77 -20.014 -7.275 -17.922 595 HZ3 LYS 77 2HZ LYS 77 -18.593 -6.614 -17.469 596 H GLY 78 H GLY 78 -23.950 -7.123 -11.871 597 HA2 GLY 78 1HA GLY 78 -26.287 -5.525 -12.510 598 HA3 GLY 78 2HA GLY 78 -26.264 -7.152 -11.813 599 H HIS 79 H HIS 79 -24.896 -6.764 -9.420 600 HA HIS 79 HA HIS 79 -26.865 -5.435 -7.751 601 HB2 HIS 79 1HB HIS 79 -24.129 -6.599 -7.156 602 HB3 HIS 79 2HB HIS 79 -25.210 -5.945 -5.930 603 HD1 HIS 79 1HD HIS 79 -25.119 -8.893 -8.455 604 HD2 HIS 79 2HD HIS 79 -27.171 -7.477 -5.059 605 HE1 HIS 79 1HE HIS 79 -26.657 -10.786 -7.704 606 H LEU 80 H LEU 80 -23.646 -4.455 -8.986 607 HA LEU 80 HA LEU 80 -23.543 -1.951 -7.620 608 HB2 LEU 80 1HB LEU 80 -21.611 -2.996 -8.733 609 HB3 LEU 80 2HB LEU 80 -22.390 -2.786 -10.303 610 HG LEU 80 HG LEU 80 -22.285 -0.323 -10.056 611 HD11 LEU 80 1HD1 LEU 80 -22.318 -0.087 -7.602 612 HD12 LEU 80 2HD1 LEU 80 -20.869 0.652 -8.268 613 HD13 LEU 80 3HD1 LEU 80 -20.756 -0.939 -7.486 614 HD21 LEU 80 3HD2 LEU 80 -19.599 -1.646 -9.563 615 HD22 LEU 80 1HD2 LEU 80 -19.910 -0.103 -10.394 616 HD23 LEU 80 2HD2 LEU 80 -20.446 -1.617 -11.130 617 H LYS 81 H LYS 81 -25.079 -2.818 -10.775 618 HA LYS 81 HA LYS 81 -25.986 -0.187 -11.416 619 HB2 LYS 81 1HB LYS 81 -25.998 -2.127 -12.973 620 HB3 LYS 81 2HB LYS 81 -27.335 -2.845 -12.061 621 HG2 LYS 81 1HG LYS 81 -28.755 -0.880 -12.578 622 HG3 LYS 81 2HG LYS 81 -27.408 -0.136 -13.460 623 HD2 LYS 81 1HD LYS 81 -27.418 -2.019 -15.070 624 HD3 LYS 81 2HD LYS 81 -28.741 -2.792 -14.163 625 HE2 LYS 81 1HE LYS 81 -30.174 -0.800 -14.572 626 HE3 LYS 81 2HE LYS 81 -28.865 -0.040 -15.485 627 HZ1 LYS 81 3HZ LYS 81 -30.450 -1.139 -16.958 628 HZ2 LYS 81 1HZ LYS 81 -30.214 -2.582 -16.234 629 HZ3 LYS 81 2HZ LYS 81 -29.002 -1.883 -17.081 630 H VAL 82 H VAL 82 -27.538 -2.692 -9.353 631 HA VAL 82 HA VAL 82 -29.805 -1.025 -8.694 632 HB VAL 82 HB VAL 82 -28.655 -3.312 -7.060 633 HG11 VAL 82 1HG1 VAL 82 -30.187 -1.891 -5.715 634 HG12 VAL 82 2HG1 VAL 82 -31.405 -1.963 -7.007 635 HG13 VAL 82 3HG1 VAL 82 -30.955 -3.428 -6.110 636 HG21 VAL 82 3HG2 VAL 82 -30.470 -4.636 -8.111 637 HG22 VAL 82 1HG2 VAL 82 -30.916 -3.238 -9.115 638 HG23 VAL 82 2HG2 VAL 82 -29.348 -4.039 -9.332 639 H HIS 83 H HIS 83 -26.599 -1.414 -7.004 640 HA HIS 83 HA HIS 83 -27.101 0.454 -4.929 641 HB2 HIS 83 1HB HIS 83 -25.081 -0.812 -4.884 642 HB3 HIS 83 2HB HIS 83 -24.577 -0.233 -6.464 643 HD1 HIS 83 1HD HIS 83 -24.605 0.895 -2.820 644 HD2 HIS 83 2HD HIS 83 -23.477 2.206 -6.649 645 HE1 HIS 83 1HE HIS 83 -23.205 2.978 -2.451 646 H ILE 84 H ILE 84 -25.990 1.143 -8.292 647 HA ILE 84 HA ILE 84 -25.925 3.988 -7.941 648 HB ILE 84 HB ILE 84 -26.091 2.243 -10.409 649 HG12 ILE 84 1HG1 ILE 84 -23.820 3.918 -9.221 650 HG13 ILE 84 2HG1 ILE 84 -24.019 2.201 -8.922 651 HG21 ILE 84 1HG2 ILE 84 -25.711 5.269 -10.239 652 HG22 ILE 84 2HG2 ILE 84 -25.494 4.287 -11.709 653 HG23 ILE 84 3HG2 ILE 84 -27.087 4.417 -10.985 654 HD11 ILE 84 3HD1 ILE 84 -23.784 1.736 -11.354 655 HD12 ILE 84 1HD1 ILE 84 -23.410 3.460 -11.609 656 HD13 ILE 84 2HD1 ILE 84 -22.351 2.467 -10.601 657 H GLU 85 H GLU 85 -28.566 1.918 -9.262 658 HA GLU 85 HA GLU 85 -30.386 4.043 -9.754 659 HB2 GLU 85 1HB GLU 85 -30.804 1.124 -9.008 660 HB3 GLU 85 2HB GLU 85 -32.146 2.214 -9.363 661 HG2 GLU 85 1HG GLU 85 -31.343 2.595 -11.619 662 HG3 GLU 85 2HG GLU 85 -29.925 1.586 -11.334 663 H ARG 86 H ARG 86 -30.037 2.047 -6.776 664 HA ARG 86 HA ARG 86 -32.307 3.489 -5.552 665 HB2 ARG 86 1HB ARG 86 -30.774 1.207 -4.305 666 HB3 ARG 86 2HB ARG 86 -32.413 1.742 -3.963 667 HG2 ARG 86 1HG ARG 86 -31.422 0.265 -6.412 668 HG3 ARG 86 2HG ARG 86 -32.471 -0.358 -5.164 669 HD2 ARG 86 1HD ARG 86 -34.327 0.867 -6.003 670 HD3 ARG 86 2HD ARG 86 -33.293 1.942 -6.955 671 HE ARG 86 HE ARG 86 -33.081 0.360 -8.649 672 HH11 ARG 86 2HH1 ARG 86 -34.807 -1.228 -6.027 673 HH12 ARG 86 1HH1 ARG 86 -35.182 -2.599 -7.036 674 HH21 ARG 86 2HH2 ARG 86 -33.537 -1.296 -9.794 675 HH22 ARG 86 1HH2 ARG 86 -34.485 -2.648 -9.170 676 H VAL 87 H VAL 87 -28.863 3.724 -5.271 677 HA VAL 87 HA VAL 87 -29.172 5.370 -2.787 678 HB VAL 87 HB VAL 87 -26.581 4.474 -4.082 679 HG11 VAL 87 1HG1 VAL 87 -26.300 6.486 -2.715 680 HG12 VAL 87 2HG1 VAL 87 -27.179 5.722 -1.371 681 HG13 VAL 87 3HG1 VAL 87 -25.604 5.090 -1.897 682 HG21 VAL 87 3HG2 VAL 87 -27.804 2.502 -3.216 683 HG22 VAL 87 1HG2 VAL 87 -26.443 2.887 -2.164 684 HG23 VAL 87 2HG2 VAL 87 -28.090 3.340 -1.676 685 H HIS 88 H HIS 88 -27.915 5.652 -6.157 686 HA HIS 88 HA HIS 88 -27.471 8.550 -5.646 687 HB2 HIS 88 1HB HIS 88 -26.403 6.759 -7.845 688 HB3 HIS 88 2HB HIS 88 -25.980 8.444 -7.573 689 HD1 HIS 88 1HD HIS 88 -24.934 8.817 -4.858 690 HD2 HIS 88 2HD HIS 88 -24.636 5.138 -6.860 691 HE1 HIS 88 1HE HIS 88 -23.038 7.562 -3.727 692 H LYS 89 H LYS 89 -29.314 6.467 -7.873 693 HA LYS 89 HA LYS 89 -30.467 8.902 -9.169 694 HB2 LYS 89 1HB LYS 89 -30.660 6.054 -10.163 695 HB3 LYS 89 2HB LYS 89 -31.112 7.532 -11.006 696 HG2 LYS 89 1HG LYS 89 -28.708 8.277 -10.828 697 HG3 LYS 89 2HG LYS 89 -28.292 6.663 -10.247 698 HD2 LYS 89 1HD LYS 89 -29.150 5.660 -12.322 699 HD3 LYS 89 2HD LYS 89 -29.626 7.250 -12.935 700 HE2 LYS 89 1HE LYS 89 -26.768 6.462 -12.197 701 HE3 LYS 89 2HE LYS 89 -27.429 6.352 -13.831 702 HZ1 LYS 89 3HZ LYS 89 -27.241 8.884 -12.286 703 HZ2 LYS 89 1HZ LYS 89 -27.748 8.741 -13.837 704 HZ3 LYS 89 2HZ LYS 89 -26.191 8.426 -13.441 705 H LYS 90 H LYS 90 -31.264 7.714 -6.515 706 HA LYS 90 HA LYS 90 -33.903 6.654 -6.704 707 HB2 LYS 90 1HB LYS 90 -34.007 6.958 -4.300 708 HB3 LYS 90 2HB LYS 90 -32.439 6.320 -4.785 709 HG2 LYS 90 1HG LYS 90 -31.493 8.662 -4.613 710 HG3 LYS 90 2HG LYS 90 -33.061 9.196 -3.978 711 HD2 LYS 90 1HD LYS 90 -32.840 7.532 -2.123 712 HD3 LYS 90 2HD LYS 90 -31.245 7.083 -2.727 713 HE2 LYS 90 1HE LYS 90 -32.081 9.831 -1.687 714 HE3 LYS 90 2HE LYS 90 -31.115 8.634 -0.822 715 HZ1 LYS 90 3HZ LYS 90 -29.620 10.201 -1.779 716 HZ2 LYS 90 1HZ LYS 90 -30.302 10.111 -3.258 717 HZ3 LYS 90 2HZ LYS 90 -29.457 8.839 -2.683 718 H ILE 91 H ILE 91 -35.894 7.512 -6.039 719 HA ILE 91 HA ILE 91 -36.337 10.430 -6.429 720 HB ILE 91 HB ILE 91 -38.308 9.925 -7.791 721 HG12 ILE 91 1HG1 ILE 91 -37.253 7.069 -8.002 722 HG13 ILE 91 2HG1 ILE 91 -38.656 7.556 -7.046 723 HG21 ILE 91 1HG2 ILE 91 -36.084 10.560 -8.762 724 HG22 ILE 91 2HG2 ILE 91 -35.763 8.837 -9.059 725 HG23 ILE 91 3HG2 ILE 91 -37.114 9.654 -9.870 726 HD11 ILE 91 3HD1 ILE 91 -39.747 8.413 -9.124 727 HD12 ILE 91 1HD1 ILE 91 -38.388 7.752 -10.067 728 HD13 ILE 91 2HD1 ILE 91 -39.433 6.665 -9.138 729 H LYS 92 H LYS 92 -38.442 11.178 -5.713 730 HA LYS 92 HA LYS 92 -39.852 9.558 -3.669 731 HB2 LYS 92 1HB LYS 92 -38.055 10.850 -2.507 732 HB3 LYS 92 2HB LYS 92 -38.753 12.349 -3.140 733 HG2 LYS 92 1HG LYS 92 -40.864 11.886 -1.905 734 HG3 LYS 92 2HG LYS 92 -40.208 10.338 -1.358 735 HD2 LYS 92 1HD LYS 92 -40.053 11.932 0.439 736 HD3 LYS 92 2HD LYS 92 -38.418 11.542 -0.115 737 HE2 LYS 92 1HE LYS 92 -38.358 13.650 -1.429 738 HE3 LYS 92 2HE LYS 92 -40.015 14.015 -0.934 739 HZ1 LYS 92 3HZ LYS 92 -38.398 15.184 0.448 740 HZ2 LYS 92 1HZ LYS 92 -37.699 13.787 0.916 741 HZ3 LYS 92 2HZ LYS 92 -39.231 14.130 1.371 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 32.720 21.960 22.689 2 H2 GLY 1 2H GLY 1 31.574 22.686 23.606 3 H3 GLY 1 3H GLY 1 33.073 23.341 23.501 4 HA2 GLY 1 1HA GLY 1 31.527 24.603 22.157 5 HA3 GLY 1 2HA GLY 1 32.784 23.834 21.172 6 H SER 2 H SER 2 30.035 24.684 20.441 7 HA SER 2 HA SER 2 28.307 22.424 20.154 8 HB2 SER 2 1HB SER 2 28.394 24.994 18.532 9 HB3 SER 2 2HB SER 2 27.040 23.851 18.625 10 HG SER 2 HG SER 2 26.785 25.632 20.065 11 H SER 3 H SER 3 27.795 21.117 18.408 12 HA SER 3 HA SER 3 29.928 20.322 16.666 13 HB2 SER 3 1HB SER 3 26.983 19.568 16.580 14 HB3 SER 3 2HB SER 3 28.311 18.719 15.765 15 HG SER 3 HG SER 3 27.755 17.745 17.777 16 H GLY 4 H GLY 4 30.182 20.450 14.450 17 HA2 GLY 4 1HA GLY 4 29.206 22.871 13.171 18 HA3 GLY 4 2HA GLY 4 30.371 21.716 12.532 19 H SER 5 H SER 5 27.661 19.923 13.295 20 HA SER 5 HA SER 5 26.184 18.745 12.070 21 HB2 SER 5 1HB SER 5 25.699 21.459 10.817 22 HB3 SER 5 2HB SER 5 24.747 20.031 10.414 23 HG SER 5 HG SER 5 25.070 21.181 12.993 24 H SER 6 H SER 6 29.032 19.266 10.785 25 HA SER 6 HA SER 6 28.461 18.047 8.122 26 HB2 SER 6 1HB SER 6 30.624 19.026 7.469 27 HB3 SER 6 2HB SER 6 29.476 20.247 8.042 28 HG SER 6 HG SER 6 31.580 20.525 8.948 29 H GLY 7 H GLY 7 29.552 17.061 11.143 30 HA2 GLY 7 1HA GLY 7 31.930 15.630 10.571 31 HA3 GLY 7 2HA GLY 7 30.859 15.358 11.946 32 H LYS 8 H LYS 8 28.589 14.641 10.065 33 HA LYS 8 HA LYS 8 29.517 12.303 8.570 34 HB2 LYS 8 1HB LYS 8 29.147 11.449 10.897 35 HB3 LYS 8 2HB LYS 8 27.455 11.954 10.803 36 HG2 LYS 8 1HG LYS 8 27.046 10.393 8.956 37 HG3 LYS 8 2HG LYS 8 28.760 9.965 8.880 38 HD2 LYS 8 1HD LYS 8 26.944 9.456 11.279 39 HD3 LYS 8 2HD LYS 8 27.321 8.268 10.019 40 HE2 LYS 8 1HE LYS 8 29.746 8.456 10.567 41 HE3 LYS 8 2HE LYS 8 29.361 9.594 11.863 42 HZ1 LYS 8 3HZ LYS 8 28.062 7.833 12.938 43 HZ2 LYS 8 1HZ LYS 8 29.602 7.344 12.721 44 HZ3 LYS 8 2HZ LYS 8 28.429 6.776 11.743 45 H ILE 9 H ILE 9 28.273 11.762 6.913 46 HA ILE 9 HA ILE 9 25.767 13.241 6.301 47 HB ILE 9 HB ILE 9 28.255 13.221 4.532 48 HG12 ILE 9 1HG1 ILE 9 27.027 15.558 6.070 49 HG13 ILE 9 2HG1 ILE 9 28.549 14.757 6.465 50 HG21 ILE 9 1HG2 ILE 9 26.182 13.177 3.225 51 HG22 ILE 9 2HG2 ILE 9 25.539 14.560 4.145 52 HG23 ILE 9 3HG2 ILE 9 26.941 14.740 3.068 53 HD11 ILE 9 3HD1 ILE 9 29.110 16.763 5.382 54 HD12 ILE 9 1HD1 ILE 9 29.490 15.432 4.274 55 HD13 ILE 9 2HD1 ILE 9 28.038 16.441 4.011 56 H PHE 10 H PHE 10 24.420 12.112 4.860 57 HA PHE 10 HA PHE 10 25.224 9.283 4.286 58 HB2 PHE 10 1HB PHE 10 22.499 10.426 4.984 59 HB3 PHE 10 2HB PHE 10 22.858 8.742 4.638 60 HD1 PHE 10 2HD PHE 10 24.136 7.343 6.232 61 HD2 PHE 10 1HD PHE 10 23.178 11.450 7.122 62 HE1 PHE 10 2HE PHE 10 24.740 6.971 8.611 63 HE2 PHE 10 1HE PHE 10 23.768 11.074 9.507 64 HZ PHE 10 HZ PHE 10 24.532 8.825 10.257 65 H THR 11 H THR 11 25.092 8.560 2.205 66 HA THR 11 HA THR 11 23.804 10.318 0.162 67 HB THR 11 HB THR 11 26.540 9.021 -0.033 68 HG1 THR 11 1HG THR 11 27.313 11.106 0.188 69 HG21 THR 11 3HG2 THR 11 25.508 9.346 -2.236 70 HG22 THR 11 1HG2 THR 11 26.806 10.519 -1.998 71 HG23 THR 11 2HG2 THR 11 25.111 11.031 -1.827 72 H CYS 12 H CYS 12 22.712 9.352 -1.427 73 HA CYS 12 HA CYS 12 22.159 6.504 -1.397 74 HB2 CYS 12 1HB CYS 12 20.475 8.180 -1.899 75 HB3 CYS 12 2HB CYS 12 21.415 8.752 -3.297 76 H GLU 13 H GLU 13 23.035 4.923 -2.565 77 HA GLU 13 HA GLU 13 25.364 5.479 -4.284 78 HB2 GLU 13 1HB GLU 13 25.810 3.135 -4.187 79 HB3 GLU 13 2HB GLU 13 25.480 3.734 -2.565 80 HG2 GLU 13 1HG GLU 13 23.151 2.820 -2.725 81 HG3 GLU 13 2HG GLU 13 23.531 2.186 -4.330 82 H TYR 14 H TYR 14 22.065 5.286 -4.869 83 HA TYR 14 HA TYR 14 22.379 4.073 -7.586 84 HB2 TYR 14 1HB TYR 14 19.920 4.579 -5.908 85 HB3 TYR 14 2HB TYR 14 19.935 3.825 -7.490 86 HD1 TYR 14 2HD TYR 14 21.110 1.591 -7.802 87 HD2 TYR 14 1HD TYR 14 20.322 3.304 -3.921 88 HE1 TYR 14 2HE TYR 14 21.371 -0.656 -6.759 89 HE2 TYR 14 1HE TYR 14 20.572 1.046 -2.881 90 HH TYR 14 HH TYR 14 21.329 -1.871 -4.817 91 H CYS 15 H CYS 15 21.334 7.079 -5.991 92 HA CYS 15 HA CYS 15 21.241 8.375 -8.661 93 HB2 CYS 15 1HB CYS 15 19.246 9.564 -8.180 94 HB3 CYS 15 2HB CYS 15 18.957 7.831 -8.062 95 H ASN 16 H ASN 16 23.013 8.384 -6.052 96 HA ASN 16 HA ASN 16 24.456 9.754 -5.039 97 HB2 ASN 16 1HB ASN 16 24.182 11.339 -7.609 98 HB3 ASN 16 2HB ASN 16 25.490 11.502 -6.448 99 HD21 ASN 16 1HD2 ASN 16 26.147 10.962 -9.023 100 HD22 ASN 16 2HD2 ASN 16 26.734 9.308 -9.128 101 H LYS 17 H LYS 17 21.447 10.565 -4.737 102 HA LYS 17 HA LYS 17 21.465 13.315 -3.866 103 HB2 LYS 17 1HB LYS 17 19.724 10.912 -3.221 104 HB3 LYS 17 2HB LYS 17 19.443 12.508 -2.493 105 HG2 LYS 17 1HG LYS 17 19.104 13.510 -4.704 106 HG3 LYS 17 2HG LYS 17 19.501 11.960 -5.474 107 HD2 LYS 17 1HD LYS 17 17.576 10.929 -4.141 108 HD3 LYS 17 2HD LYS 17 17.152 12.551 -3.605 109 HE2 LYS 17 1HE LYS 17 15.745 11.773 -5.432 110 HE3 LYS 17 2HE LYS 17 16.638 13.232 -5.883 111 HZ1 LYS 17 3HZ LYS 17 18.111 11.929 -7.210 112 HZ2 LYS 17 1HZ LYS 17 16.622 11.379 -7.599 113 HZ3 LYS 17 2HZ LYS 17 17.609 10.510 -6.601 114 H VAL 18 H VAL 18 21.503 14.165 -1.845 115 HA VAL 18 HA VAL 18 23.051 12.652 0.227 116 HB VAL 18 HB VAL 18 23.251 15.610 -0.430 117 HG11 VAL 18 1HG1 VAL 18 25.216 15.520 1.117 118 HG12 VAL 18 2HG1 VAL 18 23.694 15.212 1.951 119 HG13 VAL 18 3HG1 VAL 18 24.765 13.852 1.537 120 HG21 VAL 18 3HG2 VAL 18 25.213 13.322 -0.915 121 HG22 VAL 18 1HG2 VAL 18 24.346 14.233 -2.173 122 HG23 VAL 18 2HG2 VAL 18 25.551 15.047 -1.174 123 H PHE 19 H PHE 19 22.431 12.708 2.275 124 HA PHE 19 HA PHE 19 19.983 14.201 3.094 125 HB2 PHE 19 1HB PHE 19 20.597 11.260 3.586 126 HB3 PHE 19 2HB PHE 19 19.188 12.135 4.161 127 HD1 PHE 19 1HD PHE 19 20.800 10.572 1.233 128 HD2 PHE 19 2HD PHE 19 17.353 12.763 2.609 129 HE1 PHE 19 1HE PHE 19 19.634 10.082 -0.902 130 HE2 PHE 19 2HE PHE 19 16.192 12.280 0.465 131 HZ PHE 19 HZ PHE 19 17.342 10.975 -1.316 132 H LYS 20 H LYS 20 19.862 14.784 5.238 133 HA LYS 20 HA LYS 20 22.361 15.175 6.637 134 HB2 LYS 20 1HB LYS 20 20.503 16.819 6.575 135 HB3 LYS 20 2HB LYS 20 19.471 15.700 7.456 136 HG2 LYS 20 1HG LYS 20 20.264 17.424 8.933 137 HG3 LYS 20 2HG LYS 20 20.934 15.876 9.438 138 HD2 LYS 20 1HD LYS 20 23.091 16.449 8.348 139 HD3 LYS 20 2HD LYS 20 22.434 18.019 7.866 140 HE2 LYS 20 1HE LYS 20 22.718 17.007 10.738 141 HE3 LYS 20 2HE LYS 20 23.898 18.028 9.916 142 HZ1 LYS 20 3HZ LYS 20 22.438 19.385 11.258 143 HZ2 LYS 20 1HZ LYS 20 21.097 18.808 10.528 144 HZ3 LYS 20 2HZ LYS 20 22.149 19.736 9.690 145 H PHE 21 H PHE 21 19.848 12.765 6.947 146 HA PHE 21 HA PHE 21 21.155 11.620 9.379 147 HB2 PHE 21 1HB PHE 21 18.176 11.933 8.889 148 HB3 PHE 21 2HB PHE 21 18.927 11.196 10.293 149 HD1 PHE 21 2HD PHE 21 20.635 12.745 11.639 150 HD2 PHE 21 1HD PHE 21 17.536 14.202 9.016 151 HE1 PHE 21 2HE PHE 21 20.676 14.939 12.803 152 HE2 PHE 21 1HE PHE 21 17.569 16.387 10.194 153 HZ PHE 21 HZ PHE 21 19.123 16.753 12.102 154 H LYS 22 H LYS 22 20.907 9.424 9.757 155 HA LYS 22 HA LYS 22 21.120 7.712 7.516 156 HB2 LYS 22 1HB LYS 22 22.071 7.370 9.824 157 HB3 LYS 22 2HB LYS 22 20.459 6.940 10.396 158 HG2 LYS 22 1HG LYS 22 20.402 5.061 8.749 159 HG3 LYS 22 2HG LYS 22 22.032 5.477 8.216 160 HD2 LYS 22 1HD LYS 22 21.248 4.639 11.047 161 HD3 LYS 22 2HD LYS 22 21.933 3.565 9.818 162 HE2 LYS 22 1HE LYS 22 23.986 4.959 9.730 163 HE3 LYS 22 2HE LYS 22 23.320 6.021 10.980 164 HZ1 LYS 22 3HZ LYS 22 24.796 4.348 11.941 165 HZ2 LYS 22 1HZ LYS 22 23.899 3.127 11.339 166 HZ3 LYS 22 2HZ LYS 22 23.280 4.106 12.492 167 H HIS 23 H HIS 23 18.317 8.155 9.704 168 HA HIS 23 HA HIS 23 16.673 6.176 8.491 169 HB2 HIS 23 1HB HIS 23 14.826 7.216 9.669 170 HB3 HIS 23 2HB HIS 23 16.235 7.073 10.709 171 HD1 HIS 23 1HD HIS 23 14.133 9.786 8.934 172 HD2 HIS 23 2HD HIS 23 17.347 9.342 11.609 173 HE1 HIS 23 1HE HIS 23 14.586 12.098 9.896 174 H SER 24 H SER 24 17.077 9.635 7.668 175 HA SER 24 HA SER 24 15.037 9.797 5.691 176 HB2 SER 24 1HB SER 24 17.688 11.282 5.776 177 HB3 SER 24 2HB SER 24 16.256 11.729 4.830 178 HG SER 24 HG SER 24 16.246 12.896 6.752 179 H LEU 25 H LEU 25 18.504 8.845 5.329 180 HA LEU 25 HA LEU 25 18.246 8.241 2.519 181 HB2 LEU 25 1HB LEU 25 20.426 8.677 3.495 182 HB3 LEU 25 2HB LEU 25 20.252 7.312 4.604 183 HG LEU 25 HG LEU 25 20.264 5.731 2.699 184 HD11 LEU 25 1HD1 LEU 25 20.835 8.168 0.956 185 HD12 LEU 25 2HD1 LEU 25 19.352 7.192 0.900 186 HD13 LEU 25 3HD1 LEU 25 20.890 6.469 0.448 187 HD21 LEU 25 3HD2 LEU 25 22.601 5.951 2.085 188 HD22 LEU 25 1HD2 LEU 25 22.384 6.348 3.799 189 HD23 LEU 25 2HD2 LEU 25 22.604 7.646 2.598 190 H GLN 26 H GLN 26 17.985 6.149 5.455 191 HA GLN 26 HA GLN 26 17.598 3.685 4.123 192 HB2 GLN 26 1HB GLN 26 16.616 4.762 6.782 193 HB3 GLN 26 2HB GLN 26 16.254 3.118 6.263 194 HG2 GLN 26 1HG GLN 26 18.625 2.569 6.090 195 HG3 GLN 26 2HG GLN 26 19.096 4.213 6.490 196 HE21 GLN 26 1HE2 GLN 26 19.997 1.928 7.963 197 HE22 GLN 26 2HE2 GLN 26 19.299 2.047 9.573 198 H ALA 27 H ALA 27 15.103 6.123 5.000 199 HA ALA 27 HA ALA 27 12.918 4.605 3.877 200 HB1 ALA 27 1HB ALA 27 11.683 6.701 4.172 201 HB2 ALA 27 2HB ALA 27 12.652 6.316 5.616 202 HB3 ALA 27 3HB ALA 27 13.203 7.573 4.479 203 H HIS 28 H HIS 28 15.159 7.035 2.490 204 HA HIS 28 HA HIS 28 13.782 7.346 -0.021 205 HB2 HIS 28 1HB HIS 28 15.383 9.000 0.638 206 HB3 HIS 28 2HB HIS 28 16.654 7.800 0.862 207 HD1 HIS 28 1HD HIS 28 14.598 9.276 -2.069 208 HD2 HIS 28 2HD HIS 28 18.116 7.145 -1.200 209 HE1 HIS 28 1HE HIS 28 15.806 9.006 -4.280 210 H LEU 29 H LEU 29 16.390 5.095 1.008 211 HA LEU 29 HA LEU 29 16.931 3.958 -1.508 212 HB2 LEU 29 1HB LEU 29 17.145 2.868 1.315 213 HB3 LEU 29 2HB LEU 29 17.716 1.957 -0.076 214 HG LEU 29 HG LEU 29 18.742 4.746 0.592 215 HD11 LEU 29 1HD1 LEU 29 19.294 3.171 2.404 216 HD12 LEU 29 2HD1 LEU 29 20.738 3.592 1.473 217 HD13 LEU 29 3HD1 LEU 29 19.949 2.019 1.218 218 HD21 LEU 29 3HD2 LEU 29 19.113 4.156 -1.750 219 HD22 LEU 29 1HD2 LEU 29 19.791 2.583 -1.266 220 HD23 LEU 29 2HD2 LEU 29 20.633 4.095 -0.866 221 H ARG 30 H ARG 30 14.085 3.421 0.396 222 HA ARG 30 HA ARG 30 13.266 0.848 -0.531 223 HB2 ARG 30 1HB ARG 30 11.584 3.282 0.218 224 HB3 ARG 30 2HB ARG 30 10.978 1.633 0.047 225 HG2 ARG 30 1HG ARG 30 12.450 0.872 1.900 226 HG3 ARG 30 2HG ARG 30 13.081 2.513 2.072 227 HD2 ARG 30 1HD ARG 30 11.442 2.208 3.772 228 HD3 ARG 30 2HD ARG 30 10.787 3.338 2.576 229 HE ARG 30 HE ARG 30 9.991 0.627 1.972 230 HH11 ARG 30 1HH1 ARG 30 9.196 3.183 4.232 231 HH12 ARG 30 2HH1 ARG 30 7.576 2.588 4.475 232 HH21 ARG 30 2HH2 ARG 30 7.910 -0.071 2.322 233 HH22 ARG 30 1HH2 ARG 30 6.877 0.793 3.420 234 H ILE 31 H ILE 31 13.303 3.885 -2.341 235 HA ILE 31 HA ILE 31 11.419 2.936 -4.348 236 HB ILE 31 HB ILE 31 11.835 4.839 -5.557 237 HG12 ILE 31 1HG1 ILE 31 14.377 5.357 -3.982 238 HG13 ILE 31 2HG1 ILE 31 14.237 4.928 -5.683 239 HG21 ILE 31 1HG2 ILE 31 11.231 6.563 -4.011 240 HG22 ILE 31 2HG2 ILE 31 10.588 5.046 -3.382 241 HG23 ILE 31 3HG2 ILE 31 12.057 5.749 -2.668 242 HD11 ILE 31 3HD1 ILE 31 13.343 7.528 -4.418 243 HD12 ILE 31 1HD1 ILE 31 14.647 7.265 -5.592 244 HD13 ILE 31 2HD1 ILE 31 12.957 7.036 -6.087 245 H HIS 32 H HIS 32 14.873 2.616 -3.899 246 HA HIS 32 HA HIS 32 15.386 1.855 -6.690 247 HB2 HIS 32 1HB HIS 32 17.210 1.972 -4.263 248 HB3 HIS 32 2HB HIS 32 17.723 1.680 -5.921 249 HD1 HIS 32 1HD HIS 32 16.787 3.890 -7.652 250 HD2 HIS 32 2HD HIS 32 17.606 4.426 -3.572 251 HE1 HIS 32 1HE HIS 32 17.253 6.368 -7.366 252 H THR 33 H THR 33 14.670 0.161 -3.718 253 HA THR 33 HA THR 33 15.608 -2.444 -4.711 254 HB THR 33 HB THR 33 14.728 -3.328 -2.599 255 HG1 THR 33 1HG THR 33 13.921 -1.852 -1.082 256 HG21 THR 33 3HG2 THR 33 16.368 -0.800 -2.134 257 HG22 THR 33 1HG2 THR 33 17.024 -2.363 -2.670 258 HG23 THR 33 2HG2 THR 33 16.262 -2.223 -1.077 259 H ASN 34 H ASN 34 13.245 -0.799 -5.954 260 HA ASN 34 HA ASN 34 10.968 -2.589 -5.701 261 HB2 ASN 34 1HB ASN 34 10.813 -0.101 -5.923 262 HB3 ASN 34 2HB ASN 34 11.421 -0.238 -7.575 263 HD21 ASN 34 1HD2 ASN 34 9.312 0.886 -8.032 264 HD22 ASN 34 2HD2 ASN 34 7.883 -0.124 -8.200 265 H GLU 35 H GLU 35 12.650 -4.350 -6.341 266 HA GLU 35 HA GLU 35 12.471 -4.946 -9.277 267 HB2 GLU 35 1HB GLU 35 14.691 -5.696 -7.342 268 HB3 GLU 35 2HB GLU 35 14.618 -6.086 -9.066 269 HG2 GLU 35 1HG GLU 35 14.599 -3.621 -9.574 270 HG3 GLU 35 2HG GLU 35 14.879 -3.304 -7.857 271 H LYS 36 H LYS 36 10.469 -5.656 -7.338 272 HA LYS 36 HA LYS 36 10.840 -8.207 -6.174 273 HB2 LYS 36 1HB LYS 36 8.464 -6.420 -6.659 274 HB3 LYS 36 2HB LYS 36 8.200 -8.075 -6.147 275 HG2 LYS 36 1HG LYS 36 8.209 -6.709 -4.197 276 HG3 LYS 36 2HG LYS 36 9.634 -7.747 -4.164 277 HD2 LYS 36 1HD LYS 36 11.041 -5.814 -4.880 278 HD3 LYS 36 2HD LYS 36 9.583 -4.789 -4.923 279 HE2 LYS 36 1HE LYS 36 9.228 -5.320 -2.482 280 HE3 LYS 36 2HE LYS 36 10.733 -6.245 -2.498 281 HZ1 LYS 36 3HZ LYS 36 11.196 -4.047 -1.694 282 HZ2 LYS 36 1HZ LYS 36 10.466 -3.325 -2.960 283 HZ3 LYS 36 2HZ LYS 36 11.867 -4.139 -3.187 284 HA PRO 37 HA PRO 37 10.318 -10.659 -9.859 285 HB2 PRO 37 1HB PRO 37 10.721 -13.170 -8.841 286 HB3 PRO 37 2HB PRO 37 12.004 -11.944 -9.005 287 HG2 PRO 37 1HG PRO 37 10.391 -12.604 -6.529 288 HG3 PRO 37 2HG PRO 37 12.169 -12.452 -6.678 289 HD2 PRO 37 1HD PRO 37 10.629 -10.390 -5.797 290 HD3 PRO 37 2HD PRO 37 12.048 -10.107 -6.843 291 H TYR 38 H TYR 38 8.348 -11.581 -7.007 292 HA TYR 38 HA TYR 38 6.664 -13.340 -8.617 293 HB2 TYR 38 1HB TYR 38 6.475 -12.549 -5.696 294 HB3 TYR 38 2HB TYR 38 5.394 -13.665 -6.501 295 HD1 TYR 38 1HD TYR 38 6.305 -15.734 -7.627 296 HD2 TYR 38 2HD TYR 38 8.644 -13.293 -4.978 297 HE1 TYR 38 1HE TYR 38 7.835 -17.669 -7.201 298 HE2 TYR 38 2HE TYR 38 10.211 -15.200 -4.580 299 HH TYR 38 HH TYR 38 9.739 -18.393 -6.143 300 H LYS 39 H LYS 39 6.013 -11.884 -10.143 301 HA LYS 39 HA LYS 39 4.184 -9.660 -9.516 302 HB2 LYS 39 1HB LYS 39 5.287 -10.789 -12.104 303 HB3 LYS 39 2HB LYS 39 4.138 -9.443 -12.040 304 HG2 LYS 39 1HG LYS 39 5.668 -8.059 -10.807 305 HG3 LYS 39 2HG LYS 39 6.797 -9.399 -10.552 306 HD2 LYS 39 1HD LYS 39 7.202 -9.516 -12.997 307 HD3 LYS 39 2HD LYS 39 6.100 -8.141 -13.240 308 HE2 LYS 39 1HE LYS 39 7.540 -6.736 -11.780 309 HE3 LYS 39 2HE LYS 39 8.627 -8.105 -11.519 310 HZ1 LYS 39 3HZ LYS 39 9.457 -6.634 -13.268 311 HZ2 LYS 39 1HZ LYS 39 8.101 -6.825 -14.153 312 HZ3 LYS 39 2HZ LYS 39 9.107 -8.090 -13.913 313 H CYS 40 H CYS 40 2.065 -9.524 -9.898 314 HA CYS 40 HA CYS 40 0.508 -11.930 -9.806 315 HB2 CYS 40 1HB CYS 40 -0.048 -9.945 -8.591 316 HB3 CYS 40 2HB CYS 40 -0.225 -9.008 -10.089 317 HA PRO 41 HA PRO 41 -0.196 -12.313 -14.278 318 HB2 PRO 41 1HB PRO 41 -2.079 -14.285 -14.276 319 HB3 PRO 41 2HB PRO 41 -0.364 -14.591 -13.863 320 HG2 PRO 41 1HG PRO 41 -2.678 -14.118 -11.953 321 HG3 PRO 41 2HG PRO 41 -1.460 -15.431 -11.911 322 HD2 PRO 41 1HD PRO 41 -1.220 -13.147 -10.421 323 HD3 PRO 41 2HD PRO 41 0.208 -13.980 -11.101 324 H GLN 42 H GLN 42 -2.390 -11.076 -11.923 325 HA GLN 42 HA GLN 42 -4.432 -10.380 -14.005 326 HB2 GLN 42 1HB GLN 42 -4.743 -10.915 -11.037 327 HB3 GLN 42 2HB GLN 42 -6.015 -10.264 -12.076 328 HG2 GLN 42 1HG GLN 42 -5.891 -12.299 -13.501 329 HG3 GLN 42 2HG GLN 42 -4.657 -12.970 -12.431 330 HE21 GLN 42 1HE2 GLN 42 -8.106 -11.965 -12.575 331 HE22 GLN 42 2HE2 GLN 42 -8.580 -12.960 -11.207 332 H CYS 43 H CYS 43 -2.305 -8.875 -11.526 333 HA CYS 43 HA CYS 43 -3.166 -6.262 -12.606 334 HB2 CYS 43 1HB CYS 43 -3.627 -5.317 -10.443 335 HB3 CYS 43 2HB CYS 43 -4.660 -6.708 -10.710 336 H SER 44 H SER 44 -1.838 -4.555 -11.014 337 HA SER 44 HA SER 44 0.902 -4.841 -11.952 338 HB2 SER 44 1HB SER 44 1.137 -2.532 -11.072 339 HB3 SER 44 2HB SER 44 -0.220 -2.728 -12.190 340 HG SER 44 HG SER 44 -0.799 -1.533 -10.304 341 H TYR 45 H TYR 45 -0.486 -6.081 -9.205 342 HA TYR 45 HA TYR 45 1.284 -5.506 -7.090 343 HB2 TYR 45 1HB TYR 45 -0.814 -6.630 -6.768 344 HB3 TYR 45 2HB TYR 45 -0.361 -7.939 -7.841 345 HD1 TYR 45 1HD TYR 45 1.453 -9.607 -7.075 346 HD2 TYR 45 2HD TYR 45 -0.218 -6.621 -4.440 347 HE1 TYR 45 1HE TYR 45 2.297 -10.867 -5.108 348 HE2 TYR 45 2HE TYR 45 0.615 -7.902 -2.475 349 HH TYR 45 HH TYR 45 1.719 -9.773 -1.755 350 H ALA 46 H ALA 46 3.180 -6.266 -6.422 351 HA ALA 46 HA ALA 46 4.370 -8.686 -7.539 352 HB1 ALA 46 1HB ALA 46 5.963 -6.091 -7.534 353 HB2 ALA 46 2HB ALA 46 6.509 -7.692 -8.093 354 HB3 ALA 46 3HB ALA 46 5.243 -6.824 -8.980 355 H SER 47 H SER 47 5.779 -9.755 -6.110 356 HA SER 47 HA SER 47 6.627 -8.392 -3.620 357 HB2 SER 47 1HB SER 47 4.370 -9.506 -3.253 358 HB3 SER 47 2HB SER 47 5.199 -11.062 -3.451 359 HG SER 47 HG SER 47 5.782 -8.991 -1.555 360 H ALA 48 H ALA 48 7.892 -10.047 -2.215 361 HA ALA 48 HA ALA 48 10.031 -11.220 -3.919 362 HB1 ALA 48 1HB ALA 48 10.058 -10.334 -1.010 363 HB2 ALA 48 2HB ALA 48 11.455 -10.889 -1.957 364 HB3 ALA 48 3HB ALA 48 10.638 -9.379 -2.396 365 H ILE 49 H ILE 49 7.339 -12.397 -2.363 366 HA ILE 49 HA ILE 49 8.584 -15.075 -1.914 367 HB ILE 49 HB ILE 49 6.562 -13.779 -0.044 368 HG12 ILE 49 1HG1 ILE 49 9.555 -14.199 0.374 369 HG13 ILE 49 2HG1 ILE 49 8.720 -12.648 0.231 370 HG21 ILE 49 1HG2 ILE 49 8.143 -16.382 0.223 371 HG22 ILE 49 2HG2 ILE 49 6.941 -15.754 1.372 372 HG23 ILE 49 3HG2 ILE 49 6.426 -16.271 -0.211 373 HD11 ILE 49 3HD1 ILE 49 7.430 -13.182 2.313 374 HD12 ILE 49 1HD1 ILE 49 8.491 -14.599 2.535 375 HD13 ILE 49 2HD1 ILE 49 9.180 -12.970 2.529 376 H LYS 50 H LYS 50 7.502 -16.695 -2.888 377 HA LYS 50 HA LYS 50 5.237 -16.276 -4.560 378 HB2 LYS 50 1HB LYS 50 6.965 -18.114 -4.794 379 HB3 LYS 50 2HB LYS 50 6.266 -18.908 -3.400 380 HG2 LYS 50 1HG LYS 50 5.472 -19.988 -5.390 381 HG3 LYS 50 2HG LYS 50 4.122 -19.172 -4.623 382 HD2 LYS 50 1HD LYS 50 4.342 -17.301 -6.317 383 HD3 LYS 50 2HD LYS 50 5.648 -18.227 -7.066 384 HE2 LYS 50 1HE LYS 50 3.888 -18.861 -8.392 385 HE3 LYS 50 2HE LYS 50 3.937 -20.175 -7.217 386 HZ1 LYS 50 3HZ LYS 50 2.064 -17.861 -7.202 387 HZ2 LYS 50 1HZ LYS 50 2.109 -18.959 -5.998 388 HZ3 LYS 50 2HZ LYS 50 1.677 -19.413 -7.503 389 H ALA 51 H ALA 51 5.396 -17.629 -1.264 390 HA ALA 51 HA ALA 51 2.643 -18.276 -0.985 391 HB1 ALA 51 1HB ALA 51 3.125 -18.252 1.423 392 HB2 ALA 51 2HB ALA 51 4.434 -19.048 0.535 393 HB3 ALA 51 3HB ALA 51 4.647 -17.387 1.140 394 H ASN 52 H ASN 52 4.288 -15.096 -0.629 395 HA ASN 52 HA ASN 52 1.928 -13.804 0.456 396 HB2 ASN 52 1HB ASN 52 4.361 -13.022 0.673 397 HB3 ASN 52 2HB ASN 52 4.235 -12.458 -0.998 398 HD21 ASN 52 1HD2 ASN 52 4.490 -10.264 -0.397 399 HD22 ASN 52 2HD2 ASN 52 3.280 -9.406 0.558 400 H LEU 53 H LEU 53 3.238 -14.240 -2.869 401 HA LEU 53 HA LEU 53 1.111 -12.852 -4.189 402 HB2 LEU 53 1HB LEU 53 3.183 -13.351 -5.320 403 HB3 LEU 53 2HB LEU 53 2.956 -15.082 -5.098 404 HG LEU 53 HG LEU 53 1.008 -15.064 -6.605 405 HD11 LEU 53 1HD1 LEU 53 0.246 -12.705 -6.253 406 HD12 LEU 53 2HD1 LEU 53 0.450 -13.117 -7.952 407 HD13 LEU 53 3HD1 LEU 53 1.685 -12.137 -7.128 408 HD21 LEU 53 3HD2 LEU 53 3.420 -13.689 -7.840 409 HD22 LEU 53 1HD2 LEU 53 2.218 -14.684 -8.681 410 HD23 LEU 53 2HD2 LEU 53 3.305 -15.426 -7.491 411 H ASN 54 H ASN 54 1.319 -16.274 -3.057 412 HA ASN 54 HA ASN 54 -1.227 -17.087 -4.084 413 HB2 ASN 54 1HB ASN 54 0.237 -18.021 -1.577 414 HB3 ASN 54 2HB ASN 54 -1.151 -18.814 -2.289 415 HD21 ASN 54 1HD2 ASN 54 0.953 -20.377 -1.914 416 HD22 ASN 54 2HD2 ASN 54 1.746 -20.712 -3.444 417 H VAL 55 H VAL 55 -0.406 -15.520 -0.966 418 HA VAL 55 HA VAL 55 -3.111 -15.321 0.023 419 HB VAL 55 HB VAL 55 -0.561 -13.826 0.712 420 HG11 VAL 55 1HG1 VAL 55 -3.240 -13.739 2.164 421 HG12 VAL 55 2HG1 VAL 55 -1.694 -13.187 2.843 422 HG13 VAL 55 3HG1 VAL 55 -2.373 -12.363 1.441 423 HG21 VAL 55 3HG2 VAL 55 -0.664 -16.277 1.206 424 HG22 VAL 55 1HG2 VAL 55 -0.562 -15.288 2.666 425 HG23 VAL 55 2HG2 VAL 55 -2.119 -15.999 2.174 426 H HIS 56 H HIS 56 -1.290 -13.334 -2.208 427 HA HIS 56 HA HIS 56 -3.318 -11.214 -2.327 428 HB2 HIS 56 1HB HIS 56 -1.037 -10.653 -2.840 429 HB3 HIS 56 2HB HIS 56 -0.937 -11.906 -4.079 430 HD1 HIS 56 1HD HIS 56 -3.014 -8.682 -3.486 431 HD2 HIS 56 2HD HIS 56 -1.649 -11.278 -6.497 432 HE1 HIS 56 1HE HIS 56 -3.896 -7.736 -5.655 433 H LEU 57 H LEU 57 -2.638 -14.082 -4.411 434 HA LEU 57 HA LEU 57 -4.518 -13.452 -6.431 435 HB2 LEU 57 1HB LEU 57 -3.385 -16.029 -5.372 436 HB3 LEU 57 2HB LEU 57 -4.509 -16.042 -6.722 437 HG LEU 57 HG LEU 57 -1.960 -14.371 -6.797 438 HD11 LEU 57 1HD1 LEU 57 -2.393 -17.231 -7.745 439 HD12 LEU 57 2HD1 LEU 57 -1.352 -16.716 -6.398 440 HD13 LEU 57 3HD1 LEU 57 -0.950 -16.233 -8.056 441 HD21 LEU 57 3HD2 LEU 57 -2.291 -14.634 -9.243 442 HD22 LEU 57 1HD2 LEU 57 -3.637 -13.775 -8.488 443 HD23 LEU 57 2HD2 LEU 57 -3.817 -15.483 -8.949 444 H ARG 58 H ARG 58 -5.072 -15.151 -3.363 445 HA ARG 58 HA ARG 58 -7.859 -15.718 -3.821 446 HB2 ARG 58 1HB ARG 58 -8.004 -16.233 -1.489 447 HB3 ARG 58 2HB ARG 58 -6.524 -16.888 -2.198 448 HG2 ARG 58 1HG ARG 58 -5.199 -15.098 -1.232 449 HG3 ARG 58 2HG ARG 58 -6.631 -14.342 -0.513 450 HD2 ARG 58 1HD ARG 58 -5.639 -17.158 0.076 451 HD3 ARG 58 2HD ARG 58 -5.246 -15.734 1.060 452 HE ARG 58 HE ARG 58 -8.042 -15.785 0.897 453 HH11 ARG 58 2HH1 ARG 58 -5.604 -17.906 2.254 454 HH12 ARG 58 1HH1 ARG 58 -6.691 -18.523 3.470 455 HH21 ARG 58 2HH2 ARG 58 -9.375 -16.623 2.465 456 HH22 ARG 58 1HH2 ARG 58 -8.765 -17.809 3.580 457 H LYS 59 H LYS 59 -6.455 -12.696 -3.388 458 HA LYS 59 HA LYS 59 -8.936 -11.387 -2.399 459 HB2 LYS 59 1HB LYS 59 -6.406 -10.013 -3.366 460 HB3 LYS 59 2HB LYS 59 -7.730 -9.330 -2.422 461 HG2 LYS 59 1HG LYS 59 -7.156 -10.954 -0.566 462 HG3 LYS 59 2HG LYS 59 -5.730 -11.423 -1.516 463 HD2 LYS 59 1HD LYS 59 -4.898 -9.096 -1.443 464 HD3 LYS 59 2HD LYS 59 -6.314 -8.625 -0.473 465 HE2 LYS 59 1HE LYS 59 -5.655 -10.296 1.262 466 HE3 LYS 59 2HE LYS 59 -4.232 -10.725 0.306 467 HZ1 LYS 59 3HZ LYS 59 -3.443 -8.425 0.584 468 HZ2 LYS 59 1HZ LYS 59 -3.688 -9.110 2.045 469 HZ3 LYS 59 2HZ LYS 59 -4.765 -8.034 1.462 470 H HIS 60 H HIS 60 -7.736 -12.389 -5.457 471 HA HIS 60 HA HIS 60 -9.144 -10.319 -6.973 472 HB2 HIS 60 1HB HIS 60 -7.669 -12.838 -7.738 473 HB3 HIS 60 2HB HIS 60 -8.715 -12.027 -8.888 474 HD1 HIS 60 1HD HIS 60 -8.161 -9.331 -9.303 475 HD2 HIS 60 2HD HIS 60 -5.213 -11.777 -7.556 476 HE1 HIS 60 1HE HIS 60 -5.998 -8.042 -9.519 477 H THR 61 H THR 61 -10.290 -13.172 -5.401 478 HA THR 61 HA THR 61 -12.791 -13.166 -7.017 479 HB THR 61 HB THR 61 -11.790 -15.324 -6.407 480 HG1 THR 61 1HG THR 61 -13.764 -16.204 -5.871 481 HG21 THR 61 3HG2 THR 61 -11.009 -14.873 -4.115 482 HG22 THR 61 1HG2 THR 61 -12.128 -16.239 -4.156 483 HG23 THR 61 2HG2 THR 61 -12.688 -14.660 -3.567 484 H GLY 62 H GLY 62 -14.875 -13.172 -5.777 485 HA2 GLY 62 1HA GLY 62 -16.368 -12.263 -4.250 486 HA3 GLY 62 2HA GLY 62 -15.036 -11.613 -3.308 487 H GLU 63 H GLU 63 -17.022 -10.029 -3.299 488 HA GLU 63 HA GLU 63 -17.466 -8.267 -5.499 489 HB2 GLU 63 1HB GLU 63 -19.110 -8.885 -3.711 490 HB3 GLU 63 2HB GLU 63 -18.167 -7.934 -2.551 491 HG2 GLU 63 1HG GLU 63 -18.622 -5.883 -3.797 492 HG3 GLU 63 2HG GLU 63 -19.377 -6.796 -5.107 493 H LYS 64 H LYS 64 -16.917 -6.207 -5.759 494 HA LYS 64 HA LYS 64 -14.460 -5.195 -4.366 495 HB2 LYS 64 1HB LYS 64 -14.982 -5.310 -7.357 496 HB3 LYS 64 2HB LYS 64 -13.593 -4.524 -6.584 497 HG2 LYS 64 1HG LYS 64 -12.923 -6.681 -5.567 498 HG3 LYS 64 2HG LYS 64 -14.295 -7.472 -6.364 499 HD2 LYS 64 1HD LYS 64 -13.342 -6.797 -8.594 500 HD3 LYS 64 2HD LYS 64 -11.943 -6.122 -7.736 501 HE2 LYS 64 1HE LYS 64 -11.308 -8.317 -8.411 502 HE3 LYS 64 2HE LYS 64 -11.584 -8.365 -6.661 503 HZ1 LYS 64 3HZ LYS 64 -13.747 -9.401 -7.075 504 HZ2 LYS 64 1HZ LYS 64 -12.582 -10.258 -7.863 505 HZ3 LYS 64 2HZ LYS 64 -13.562 -9.257 -8.700 506 H PHE 65 H PHE 65 -14.015 -3.091 -4.348 507 HA PHE 65 HA PHE 65 -15.964 -1.069 -5.370 508 HB2 PHE 65 1HB PHE 65 -14.131 -0.835 -2.949 509 HB3 PHE 65 2HB PHE 65 -15.310 0.345 -3.508 510 HD1 PHE 65 2HD PHE 65 -17.755 -0.052 -3.195 511 HD2 PHE 65 1HD PHE 65 -14.800 -2.799 -1.679 512 HE1 PHE 65 2HE PHE 65 -19.463 -1.078 -1.711 513 HE2 PHE 65 1HE PHE 65 -16.515 -3.838 -0.214 514 HZ PHE 65 HZ PHE 65 -18.848 -2.976 -0.223 515 H ALA 66 H ALA 66 -14.996 0.682 -6.507 516 HA ALA 66 HA ALA 66 -12.158 0.213 -7.329 517 HB1 ALA 66 1HB ALA 66 -12.848 0.838 -9.577 518 HB2 ALA 66 2HB ALA 66 -13.837 -0.514 -8.991 519 HB3 ALA 66 3HB ALA 66 -14.509 1.131 -9.020 520 H CYS 67 H CYS 67 -10.789 1.858 -7.660 521 HA CYS 67 HA CYS 67 -11.178 4.338 -6.292 522 HB2 CYS 67 1HB CYS 67 -9.079 3.073 -6.513 523 HB3 CYS 67 2HB CYS 67 -9.041 3.420 -8.248 524 H ASP 68 H ASP 68 -11.322 6.400 -7.019 525 HA ASP 68 HA ASP 68 -12.685 6.837 -9.615 526 HB2 ASP 68 1HB ASP 68 -13.602 7.699 -7.435 527 HB3 ASP 68 2HB ASP 68 -12.205 8.770 -7.322 528 H TYR 69 H TYR 69 -9.529 6.954 -8.421 529 HA TYR 69 HA TYR 69 -8.651 9.131 -10.290 530 HB2 TYR 69 1HB TYR 69 -7.467 8.192 -7.679 531 HB3 TYR 69 2HB TYR 69 -6.841 9.497 -8.675 532 HD1 TYR 69 1HD TYR 69 -8.121 11.642 -8.883 533 HD2 TYR 69 2HD TYR 69 -9.323 8.501 -6.181 534 HE1 TYR 69 1HE TYR 69 -9.530 13.263 -7.628 535 HE2 TYR 69 2HE TYR 69 -10.742 10.127 -4.926 536 HH TYR 69 HH TYR 69 -10.959 13.580 -5.860 537 H CYS 70 H CYS 70 -8.188 5.746 -9.523 538 HA CYS 70 HA CYS 70 -6.334 5.478 -11.771 539 HB2 CYS 70 1HB CYS 70 -4.615 4.306 -10.617 540 HB3 CYS 70 2HB CYS 70 -4.843 5.865 -9.848 541 H SER 71 H SER 71 -5.692 2.888 -11.692 542 HA SER 71 HA SER 71 -8.200 1.524 -12.276 543 HB2 SER 71 1HB SER 71 -5.346 0.503 -12.439 544 HB3 SER 71 2HB SER 71 -6.780 -0.245 -13.166 545 HG SER 71 HG SER 71 -5.613 1.035 -14.676 546 H PHE 72 H PHE 72 -6.741 1.890 -9.324 547 HA PHE 72 HA PHE 72 -6.497 -0.740 -8.295 548 HB2 PHE 72 1HB PHE 72 -5.503 1.231 -7.277 549 HB3 PHE 72 2HB PHE 72 -7.091 1.906 -6.950 550 HD1 PHE 72 1HD PHE 72 -4.776 -0.883 -6.023 551 HD2 PHE 72 2HD PHE 72 -8.274 1.400 -4.954 552 HE1 PHE 72 1HE PHE 72 -4.748 -1.893 -3.751 553 HE2 PHE 72 2HE PHE 72 -8.230 0.407 -2.680 554 HZ PHE 72 HZ PHE 72 -6.466 -1.246 -2.076 555 H THR 73 H THR 73 -7.761 -2.068 -7.082 556 HA THR 73 HA THR 73 -10.530 -1.321 -6.419 557 HB THR 73 HB THR 73 -11.379 -3.575 -6.955 558 HG1 THR 73 1HG THR 73 -8.995 -3.865 -8.458 559 HG21 THR 73 3HG2 THR 73 -11.794 -1.775 -8.569 560 HG22 THR 73 1HG2 THR 73 -11.609 -3.346 -9.366 561 HG23 THR 73 2HG2 THR 73 -10.282 -2.162 -9.417 562 H CYS 74 H CYS 74 -11.409 -2.417 -4.618 563 HA CYS 74 HA CYS 74 -9.637 -4.230 -3.079 564 HB2 CYS 74 1HB CYS 74 -9.174 -1.806 -2.441 565 HB3 CYS 74 2HB CYS 74 -10.837 -1.718 -1.830 566 HG CYS 74 HG CYS 74 -8.329 -3.741 -0.976 567 H LEU 75 H LEU 75 -10.711 -5.328 -1.339 568 HA LEU 75 HA LEU 75 -13.534 -5.984 -1.839 569 HB2 LEU 75 1HB LEU 75 -11.249 -7.124 -0.231 570 HB3 LEU 75 2HB LEU 75 -12.886 -7.521 0.257 571 HG LEU 75 HG LEU 75 -13.418 -8.530 -1.853 572 HD11 LEU 75 1HD1 LEU 75 -12.123 -7.161 -3.432 573 HD12 LEU 75 2HD1 LEU 75 -11.753 -8.871 -3.631 574 HD13 LEU 75 3HD1 LEU 75 -10.603 -7.817 -2.777 575 HD21 LEU 75 3HD2 LEU 75 -11.870 -10.429 -1.789 576 HD22 LEU 75 1HD2 LEU 75 -12.271 -9.892 -0.149 577 HD23 LEU 75 2HD2 LEU 75 -10.697 -9.469 -0.862 578 H SER 76 H SER 76 -12.109 -3.532 -0.074 579 HA SER 76 HA SER 76 -14.538 -3.235 1.636 580 HB2 SER 76 1HB SER 76 -12.871 -4.012 3.158 581 HB3 SER 76 2HB SER 76 -11.650 -2.910 2.495 582 HG SER 76 HG SER 76 -12.827 -2.282 4.521 583 H LYS 77 H LYS 77 -15.508 -1.349 1.415 584 HA LYS 77 HA LYS 77 -14.378 0.829 -0.117 585 HB2 LYS 77 1HB LYS 77 -16.439 2.057 0.463 586 HB3 LYS 77 2HB LYS 77 -16.654 0.524 -0.329 587 HG2 LYS 77 1HG LYS 77 -18.380 0.681 1.232 588 HG3 LYS 77 2HG LYS 77 -17.288 -0.550 1.827 589 HD2 LYS 77 1HD LYS 77 -18.199 0.836 3.619 590 HD3 LYS 77 2HD LYS 77 -16.450 0.996 3.558 591 HE2 LYS 77 1HE LYS 77 -16.664 3.167 2.383 592 HE3 LYS 77 2HE LYS 77 -18.419 2.963 2.301 593 HZ1 LYS 77 3HZ LYS 77 -16.867 3.229 4.824 594 HZ2 LYS 77 1HZ LYS 77 -18.489 3.049 4.731 595 HZ3 LYS 77 2HZ LYS 77 -17.784 4.399 4.151 596 H GLY 78 H GLY 78 -14.140 -0.012 3.218 597 HA2 GLY 78 1HA GLY 78 -13.414 2.640 4.235 598 HA3 GLY 78 2HA GLY 78 -13.190 1.078 5.037 599 H HIS 79 H HIS 79 -11.624 -0.332 3.236 600 HA HIS 79 HA HIS 79 -9.009 0.857 3.517 601 HB2 HIS 79 1HB HIS 79 -9.519 -1.595 3.460 602 HB3 HIS 79 2HB HIS 79 -9.858 -1.446 1.737 603 HD1 HIS 79 1HD HIS 79 -6.972 -1.725 4.175 604 HD2 HIS 79 2HD HIS 79 -7.659 -0.781 0.131 605 HE1 HIS 79 1HE HIS 79 -4.701 -1.822 3.022 606 H LEU 80 H LEU 80 -11.316 0.713 0.766 607 HA LEU 80 HA LEU 80 -9.623 1.981 -1.136 608 HB2 LEU 80 1HB LEU 80 -11.710 0.806 -1.708 609 HB3 LEU 80 2HB LEU 80 -12.645 2.041 -0.855 610 HG LEU 80 HG LEU 80 -11.893 3.764 -2.471 611 HD11 LEU 80 1HD1 LEU 80 -10.774 3.050 -4.564 612 HD12 LEU 80 2HD1 LEU 80 -10.536 1.425 -3.890 613 HD13 LEU 80 3HD1 LEU 80 -9.720 2.842 -3.177 614 HD21 LEU 80 3HD2 LEU 80 -13.967 2.441 -2.838 615 HD22 LEU 80 1HD2 LEU 80 -13.026 1.308 -3.842 616 HD23 LEU 80 2HD2 LEU 80 -13.217 3.007 -4.335 617 H LYS 81 H LYS 81 -11.866 3.456 1.282 618 HA LYS 81 HA LYS 81 -11.382 6.182 0.575 619 HB2 LYS 81 1HB LYS 81 -13.194 5.438 2.055 620 HB3 LYS 81 2HB LYS 81 -12.025 4.941 3.285 621 HG2 LYS 81 1HG LYS 81 -11.283 7.254 3.574 622 HG3 LYS 81 2HG LYS 81 -12.367 7.799 2.277 623 HD2 LYS 81 1HD LYS 81 -14.321 7.061 3.579 624 HD3 LYS 81 2HD LYS 81 -13.281 6.449 4.869 625 HE2 LYS 81 1HE LYS 81 -13.365 9.366 3.967 626 HE3 LYS 81 2HE LYS 81 -14.355 8.713 5.276 627 HZ1 LYS 81 3HZ LYS 81 -11.375 8.768 5.251 628 HZ2 LYS 81 1HZ LYS 81 -12.290 8.099 6.437 629 HZ3 LYS 81 2HZ LYS 81 -12.349 9.704 6.161 630 H VAL 82 H VAL 82 -9.555 4.057 2.816 631 HA VAL 82 HA VAL 82 -7.550 6.028 3.453 632 HB VAL 82 HB VAL 82 -7.416 2.985 3.539 633 HG11 VAL 82 1HG1 VAL 82 -5.533 5.052 4.760 634 HG12 VAL 82 2HG1 VAL 82 -5.534 3.315 5.136 635 HG13 VAL 82 3HG1 VAL 82 -5.119 3.855 3.510 636 HG21 VAL 82 3HG2 VAL 82 -7.775 3.296 5.957 637 HG22 VAL 82 1HG2 VAL 82 -7.880 5.057 5.733 638 HG23 VAL 82 2HG2 VAL 82 -9.121 3.989 5.053 639 H HIS 83 H HIS 83 -7.627 3.541 0.819 640 HA HIS 83 HA HIS 83 -5.107 4.148 -0.333 641 HB2 HIS 83 1HB HIS 83 -6.302 2.263 -1.150 642 HB3 HIS 83 2HB HIS 83 -7.730 3.208 -1.523 643 HD1 HIS 83 1HD HIS 83 -4.356 2.318 -3.037 644 HD2 HIS 83 2HD HIS 83 -7.779 4.629 -3.803 645 HE1 HIS 83 1HE HIS 83 -4.174 3.038 -5.462 646 H ILE 84 H ILE 84 -8.274 5.798 -0.909 647 HA ILE 84 HA ILE 84 -7.179 7.744 -2.719 648 HB ILE 84 HB ILE 84 -9.676 7.796 -1.000 649 HG12 ILE 84 1HG1 ILE 84 -9.314 7.321 -4.003 650 HG13 ILE 84 2HG1 ILE 84 -9.467 6.028 -2.831 651 HG21 ILE 84 1HG2 ILE 84 -8.819 9.694 -3.238 652 HG22 ILE 84 2HG2 ILE 84 -10.427 9.665 -2.477 653 HG23 ILE 84 3HG2 ILE 84 -9.031 10.114 -1.520 654 HD11 ILE 84 3HD1 ILE 84 -11.718 6.880 -2.173 655 HD12 ILE 84 1HD1 ILE 84 -11.613 8.062 -3.503 656 HD13 ILE 84 2HD1 ILE 84 -11.594 6.330 -3.855 657 H GLU 85 H GLU 85 -7.704 7.937 0.832 658 HA GLU 85 HA GLU 85 -6.643 10.579 1.082 659 HB2 GLU 85 1HB GLU 85 -7.032 8.322 3.087 660 HB3 GLU 85 2HB GLU 85 -6.419 9.915 3.536 661 HG2 GLU 85 1HG GLU 85 -8.458 10.958 2.522 662 HG3 GLU 85 2HG GLU 85 -9.131 9.356 2.272 663 H ARG 86 H ARG 86 -4.859 7.556 0.856 664 HA ARG 86 HA ARG 86 -2.319 8.960 1.634 665 HB2 ARG 86 1HB ARG 86 -2.890 6.010 1.185 666 HB3 ARG 86 2HB ARG 86 -1.363 6.694 1.730 667 HG2 ARG 86 1HG ARG 86 -3.987 6.769 3.297 668 HG3 ARG 86 2HG ARG 86 -2.648 5.664 3.549 669 HD2 ARG 86 1HD ARG 86 -2.481 7.291 5.233 670 HD3 ARG 86 2HD ARG 86 -1.183 7.653 4.079 671 HE ARG 86 HE ARG 86 -3.349 9.215 3.263 672 HH11 ARG 86 2HH1 ARG 86 -1.499 9.110 6.240 673 HH12 ARG 86 1HH1 ARG 86 -1.752 10.810 6.536 674 HH21 ARG 86 2HH2 ARG 86 -3.581 11.277 3.632 675 HH22 ARG 86 1HH2 ARG 86 -2.949 12.028 5.086 676 H VAL 87 H VAL 87 -3.717 7.344 -1.203 677 HA VAL 87 HA VAL 87 -1.172 7.727 -2.656 678 HB VAL 87 HB VAL 87 -3.746 6.440 -3.620 679 HG11 VAL 87 1HG1 VAL 87 -2.324 7.135 -5.498 680 HG12 VAL 87 2HG1 VAL 87 -0.914 6.363 -4.740 681 HG13 VAL 87 3HG1 VAL 87 -2.281 5.384 -5.312 682 HG21 VAL 87 3HG2 VAL 87 -2.803 5.168 -1.717 683 HG22 VAL 87 1HG2 VAL 87 -2.502 4.304 -3.224 684 HG23 VAL 87 2HG2 VAL 87 -1.190 5.223 -2.462 685 H HIS 88 H HIS 88 -4.459 9.131 -2.718 686 HA HIS 88 HA HIS 88 -3.636 10.789 -5.071 687 HB2 HIS 88 1HB HIS 88 -6.394 9.914 -4.174 688 HB3 HIS 88 2HB HIS 88 -6.014 10.864 -5.611 689 HD1 HIS 88 1HD HIS 88 -4.086 9.431 -7.299 690 HD2 HIS 88 2HD HIS 88 -6.642 7.381 -4.676 691 HE1 HIS 88 1HE HIS 88 -4.196 7.044 -8.161 692 H LYS 89 H LYS 89 -5.114 11.126 -1.826 693 HA LYS 89 HA LYS 89 -5.286 14.064 -2.094 694 HB2 LYS 89 1HB LYS 89 -5.517 12.333 0.381 695 HB3 LYS 89 2HB LYS 89 -5.877 14.050 0.274 696 HG2 LYS 89 1HG LYS 89 -7.386 11.809 -1.129 697 HG3 LYS 89 2HG LYS 89 -7.925 12.745 0.260 698 HD2 LYS 89 1HD LYS 89 -7.911 14.817 -1.188 699 HD3 LYS 89 2HD LYS 89 -7.445 13.805 -2.560 700 HE2 LYS 89 1HE LYS 89 -9.765 14.115 -2.777 701 HE3 LYS 89 2HE LYS 89 -9.532 12.450 -2.248 702 HZ1 LYS 89 3HZ LYS 89 -10.310 14.721 -0.483 703 HZ2 LYS 89 1HZ LYS 89 -10.131 13.174 0.019 704 HZ3 LYS 89 2HZ LYS 89 -11.323 13.567 -1.024 705 H LYS 90 H LYS 90 -3.244 14.490 -2.848 706 HA LYS 90 HA LYS 90 -0.845 13.711 -1.473 707 HB2 LYS 90 1HB LYS 90 -1.350 14.071 -4.019 708 HB3 LYS 90 2HB LYS 90 -1.020 15.756 -3.711 709 HG2 LYS 90 1HG LYS 90 0.957 14.679 -4.584 710 HG3 LYS 90 2HG LYS 90 1.276 15.171 -2.927 711 HD2 LYS 90 1HD LYS 90 2.215 12.946 -3.492 712 HD3 LYS 90 2HD LYS 90 1.088 12.869 -2.140 713 HE2 LYS 90 1HE LYS 90 -0.705 12.077 -3.671 714 HE3 LYS 90 2HE LYS 90 0.406 12.186 -5.041 715 HZ1 LYS 90 3HZ LYS 90 0.822 10.414 -2.691 716 HZ2 LYS 90 1HZ LYS 90 1.740 10.443 -4.050 717 HZ3 LYS 90 2HZ LYS 90 0.177 9.937 -4.114 718 H ILE 91 H ILE 91 -1.939 14.874 0.535 719 HA ILE 91 HA ILE 91 -1.248 17.683 0.864 720 HB ILE 91 HB ILE 91 -2.018 17.430 3.140 721 HG12 ILE 91 1HG1 ILE 91 -2.525 14.482 2.521 722 HG13 ILE 91 2HG1 ILE 91 -1.243 15.097 3.567 723 HG21 ILE 91 1HG2 ILE 91 -3.973 16.129 1.196 724 HG22 ILE 91 2HG2 ILE 91 -4.356 17.126 2.614 725 HG23 ILE 91 3HG2 ILE 91 -3.573 17.861 1.217 726 HD11 ILE 91 3HD1 ILE 91 -2.983 16.145 5.037 727 HD12 ILE 91 1HD1 ILE 91 -4.232 15.332 4.060 728 HD13 ILE 91 2HD1 ILE 91 -3.051 14.373 4.964 729 H LYS 92 H LYS 92 0.124 18.491 2.461 730 HA LYS 92 HA LYS 92 2.369 16.893 3.490 731 HB2 LYS 92 1HB LYS 92 4.098 18.263 2.502 732 HB3 LYS 92 2HB LYS 92 3.146 17.475 1.246 733 HG2 LYS 92 1HG LYS 92 1.872 19.617 0.904 734 HG3 LYS 92 2HG LYS 92 2.917 20.403 2.092 735 HD2 LYS 92 1HD LYS 92 3.848 19.127 -0.518 736 HD3 LYS 92 2HD LYS 92 3.576 20.856 -0.255 737 HE2 LYS 92 1HE LYS 92 5.314 20.854 1.535 738 HE3 LYS 92 2HE LYS 92 5.623 19.141 1.221 739 HZ1 LYS 92 3HZ LYS 92 6.005 21.327 -0.755 740 HZ2 LYS 92 1HZ LYS 92 6.286 19.744 -1.047 741 HZ3 LYS 92 2HZ LYS 92 7.200 20.550 0.037 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 1.020 39.459 -12.874 2 H2 GLY 1 2H GLY 1 0.871 40.418 -14.195 3 H3 GLY 1 3H GLY 1 2.238 40.470 -13.290 4 HA2 GLY 1 1HA GLY 1 1.324 38.157 -14.874 5 HA3 GLY 1 2HA GLY 1 2.638 39.257 -15.332 6 H SER 2 H SER 2 3.161 36.592 -15.211 7 HA SER 2 HA SER 2 4.085 35.597 -12.699 8 HB2 SER 2 1HB SER 2 4.949 34.802 -15.505 9 HB3 SER 2 2HB SER 2 5.171 33.852 -14.022 10 HG SER 2 HG SER 2 3.306 33.202 -15.208 11 H SER 3 H SER 3 6.163 35.300 -11.854 12 HA SER 3 HA SER 3 8.083 37.436 -12.338 13 HB2 SER 3 1HB SER 3 9.284 36.380 -10.437 14 HB3 SER 3 2HB SER 3 7.590 36.758 -10.085 15 HG SER 3 HG SER 3 8.188 34.643 -9.381 16 H GLY 4 H GLY 4 7.703 34.387 -13.776 17 HA2 GLY 4 1HA GLY 4 10.116 34.585 -15.337 18 HA3 GLY 4 2HA GLY 4 10.248 33.306 -14.126 19 H SER 5 H SER 5 10.466 32.046 -16.221 20 HA SER 5 HA SER 5 8.125 31.597 -17.877 21 HB2 SER 5 1HB SER 5 9.525 29.890 -18.943 22 HB3 SER 5 2HB SER 5 10.407 31.416 -18.746 23 HG SER 5 HG SER 5 11.690 29.639 -18.098 24 H SER 6 H SER 6 9.183 30.214 -14.886 25 HA SER 6 HA SER 6 8.646 28.414 -13.643 26 HB2 SER 6 1HB SER 6 5.930 28.664 -14.963 27 HB3 SER 6 2HB SER 6 6.292 27.791 -13.462 28 HG SER 6 HG SER 6 5.516 29.918 -13.067 29 H GLY 7 H GLY 7 9.857 27.799 -16.257 30 HA2 GLY 7 1HA GLY 7 8.816 25.333 -17.298 31 HA3 GLY 7 2HA GLY 7 10.447 25.955 -17.529 32 H LYS 8 H LYS 8 9.609 23.216 -17.101 33 HA LYS 8 HA LYS 8 11.344 22.468 -14.834 34 HB2 LYS 8 1HB LYS 8 9.695 20.939 -13.863 35 HB3 LYS 8 2HB LYS 8 9.171 22.619 -13.793 36 HG2 LYS 8 1HG LYS 8 7.711 22.185 -15.834 37 HG3 LYS 8 2HG LYS 8 8.200 20.490 -15.753 38 HD2 LYS 8 1HD LYS 8 6.052 20.697 -14.717 39 HD3 LYS 8 2HD LYS 8 7.229 20.371 -13.433 40 HE2 LYS 8 1HE LYS 8 7.276 22.791 -12.865 41 HE3 LYS 8 2HE LYS 8 6.162 23.135 -14.192 42 HZ1 LYS 8 3HZ LYS 8 4.490 21.772 -13.053 43 HZ2 LYS 8 1HZ LYS 8 4.993 22.973 -12.071 44 HZ3 LYS 8 2HZ LYS 8 5.524 21.449 -11.827 45 H ILE 9 H ILE 9 12.094 20.361 -14.840 46 HA ILE 9 HA ILE 9 12.001 18.848 -17.408 47 HB ILE 9 HB ILE 9 14.517 19.881 -16.027 48 HG12 ILE 9 1HG1 ILE 9 13.336 20.575 -18.759 49 HG13 ILE 9 2HG1 ILE 9 13.381 21.638 -17.351 50 HG21 ILE 9 1HG2 ILE 9 15.747 18.790 -17.888 51 HG22 ILE 9 2HG2 ILE 9 14.892 17.632 -16.906 52 HG23 ILE 9 3HG2 ILE 9 14.220 18.106 -18.489 53 HD11 ILE 9 3HD1 ILE 9 15.105 22.360 -18.789 54 HD12 ILE 9 1HD1 ILE 9 15.886 21.569 -17.406 55 HD13 ILE 9 2HD1 ILE 9 15.766 20.733 -18.979 56 H PHE 10 H PHE 10 12.398 16.624 -17.174 57 HA PHE 10 HA PHE 10 12.293 15.621 -14.351 58 HB2 PHE 10 1HB PHE 10 10.902 14.586 -16.845 59 HB3 PHE 10 2HB PHE 10 10.767 13.921 -15.231 60 HD1 PHE 10 2HD PHE 10 9.546 15.125 -13.435 61 HD2 PHE 10 1HD PHE 10 9.729 16.646 -17.464 62 HE1 PHE 10 2HE PHE 10 7.656 16.661 -12.944 63 HE2 PHE 10 1HE PHE 10 7.833 18.176 -16.976 64 HZ PHE 10 HZ PHE 10 6.784 18.169 -14.713 65 H THR 11 H THR 11 14.221 14.676 -13.852 66 HA THR 11 HA THR 11 15.553 12.956 -15.900 67 HB THR 11 HB THR 11 16.863 14.592 -13.722 68 HG1 THR 11 1HG THR 11 17.487 15.916 -15.369 69 HG21 THR 11 3HG2 THR 11 18.233 12.646 -14.335 70 HG22 THR 11 1HG2 THR 11 18.949 14.142 -14.937 71 HG23 THR 11 2HG2 THR 11 18.081 13.072 -16.055 72 H CYS 12 H CYS 12 16.159 10.970 -15.436 73 HA CYS 12 HA CYS 12 15.162 9.520 -13.164 74 HB2 CYS 12 1HB CYS 12 15.304 8.636 -15.435 75 HB3 CYS 12 2HB CYS 12 17.066 8.845 -15.437 76 H GLU 13 H GLU 13 16.114 9.021 -11.297 77 HA GLU 13 HA GLU 13 18.781 10.077 -10.657 78 HB2 GLU 13 1HB GLU 13 18.281 9.537 -8.380 79 HB3 GLU 13 2HB GLU 13 16.912 10.376 -9.103 80 HG2 GLU 13 1HG GLU 13 15.739 8.186 -9.394 81 HG3 GLU 13 2HG GLU 13 17.110 7.367 -8.636 82 H TYR 14 H TYR 14 17.734 7.177 -12.008 83 HA TYR 14 HA TYR 14 19.834 5.518 -10.681 84 HB2 TYR 14 1HB TYR 14 17.489 4.736 -12.413 85 HB3 TYR 14 2HB TYR 14 18.595 3.629 -11.625 86 HD1 TYR 14 2HD TYR 14 18.621 3.439 -9.114 87 HD2 TYR 14 1HD TYR 14 15.622 5.701 -11.237 88 HE1 TYR 14 2HE TYR 14 17.123 3.309 -7.130 89 HE2 TYR 14 1HE TYR 14 14.117 5.557 -9.245 90 HH TYR 14 HH TYR 14 15.082 3.861 -6.245 91 H CYS 15 H CYS 15 18.890 6.700 -13.913 92 HA CYS 15 HA CYS 15 21.495 5.716 -14.953 93 HB2 CYS 15 1HB CYS 15 20.545 4.906 -16.966 94 HB3 CYS 15 2HB CYS 15 19.798 4.100 -15.589 95 H ASN 16 H ASN 16 19.986 8.450 -14.295 96 HA ASN 16 HA ASN 16 20.137 10.584 -14.888 97 HB2 ASN 16 1HB ASN 16 22.555 9.850 -14.609 98 HB3 ASN 16 2HB ASN 16 22.671 9.852 -16.368 99 HD21 ASN 16 1HD2 ASN 16 24.269 11.529 -16.326 100 HD22 ASN 16 2HD2 ASN 16 23.838 13.173 -15.882 101 H LYS 17 H LYS 17 18.808 8.734 -16.985 102 HA LYS 17 HA LYS 17 18.806 10.297 -19.449 103 HB2 LYS 17 1HB LYS 17 16.865 8.310 -18.215 104 HB3 LYS 17 2HB LYS 17 16.545 9.124 -19.761 105 HG2 LYS 17 1HG LYS 17 18.524 8.146 -20.778 106 HG3 LYS 17 2HG LYS 17 19.013 7.471 -19.215 107 HD2 LYS 17 1HD LYS 17 16.746 6.236 -19.194 108 HD3 LYS 17 2HD LYS 17 16.525 6.776 -20.854 109 HE2 LYS 17 1HE LYS 17 17.301 4.483 -20.732 110 HE3 LYS 17 2HE LYS 17 18.476 5.500 -21.576 111 HZ1 LYS 17 3HZ LYS 17 19.430 3.924 -19.846 112 HZ2 LYS 17 1HZ LYS 17 18.745 4.869 -18.677 113 HZ3 LYS 17 2HZ LYS 17 19.880 5.484 -19.662 114 H VAL 18 H VAL 18 17.418 11.832 -20.100 115 HA VAL 18 HA VAL 18 15.621 13.075 -18.068 116 HB VAL 18 HB VAL 18 17.530 14.373 -17.986 117 HG11 VAL 18 1HG1 VAL 18 17.497 14.705 -20.991 118 HG12 VAL 18 2HG1 VAL 18 18.532 15.583 -19.833 119 HG13 VAL 18 3HG1 VAL 18 18.710 13.840 -20.004 120 HG21 VAL 18 3HG2 VAL 18 16.730 16.566 -18.557 121 HG22 VAL 18 1HG2 VAL 18 15.599 15.918 -19.762 122 HG23 VAL 18 2HG2 VAL 18 15.356 15.588 -18.028 123 H PHE 19 H PHE 19 13.782 13.866 -18.597 124 HA PHE 19 HA PHE 19 12.664 13.344 -21.306 125 HB2 PHE 19 1HB PHE 19 11.467 12.704 -18.578 126 HB3 PHE 19 2HB PHE 19 10.723 12.376 -20.128 127 HD1 PHE 19 1HD PHE 19 13.303 11.317 -17.714 128 HD2 PHE 19 2HD PHE 19 11.544 10.502 -21.563 129 HE1 PHE 19 1HE PHE 19 14.463 9.125 -17.777 130 HE2 PHE 19 2HE PHE 19 12.718 8.313 -21.631 131 HZ PHE 19 HZ PHE 19 14.210 7.626 -19.758 132 H LYS 20 H LYS 20 10.924 14.654 -21.935 133 HA LYS 20 HA LYS 20 10.951 17.364 -20.837 134 HB2 LYS 20 1HB LYS 20 9.361 16.115 -23.114 135 HB3 LYS 20 2HB LYS 20 9.374 17.836 -22.710 136 HG2 LYS 20 1HG LYS 20 11.874 17.853 -23.027 137 HG3 LYS 20 2HG LYS 20 11.775 16.194 -23.628 138 HD2 LYS 20 1HD LYS 20 10.393 18.625 -24.851 139 HD3 LYS 20 2HD LYS 20 11.874 17.864 -25.446 140 HE2 LYS 20 1HE LYS 20 10.619 15.739 -25.827 141 HE3 LYS 20 2HE LYS 20 9.133 16.531 -25.288 142 HZ1 LYS 20 3HZ LYS 20 9.375 18.097 -27.144 143 HZ2 LYS 20 1HZ LYS 20 9.325 16.566 -27.709 144 HZ3 LYS 20 2HZ LYS 20 10.745 17.361 -27.642 145 H PHE 21 H PHE 21 8.971 14.644 -20.180 146 HA PHE 21 HA PHE 21 6.906 16.349 -18.863 147 HB2 PHE 21 1HB PHE 21 6.328 13.889 -20.540 148 HB3 PHE 21 2HB PHE 21 5.159 14.941 -19.761 149 HD1 PHE 21 2HD PHE 21 5.234 17.502 -20.509 150 HD2 PHE 21 1HD PHE 21 6.820 14.224 -22.818 151 HE1 PHE 21 2HE PHE 21 5.127 18.895 -22.563 152 HE2 PHE 21 1HE PHE 21 6.704 15.615 -24.871 153 HZ PHE 21 HZ PHE 21 5.865 17.956 -24.745 154 H LYS 22 H LYS 22 5.813 15.469 -17.126 155 HA LYS 22 HA LYS 22 7.321 13.849 -15.363 156 HB2 LYS 22 1HB LYS 22 5.574 15.605 -14.806 157 HB3 LYS 22 2HB LYS 22 4.327 14.420 -15.202 158 HG2 LYS 22 1HG LYS 22 5.190 12.918 -13.419 159 HG3 LYS 22 2HG LYS 22 6.492 14.073 -13.073 160 HD2 LYS 22 1HD LYS 22 4.781 15.794 -12.480 161 HD3 LYS 22 2HD LYS 22 3.498 14.601 -12.784 162 HE2 LYS 22 1HE LYS 22 4.481 13.125 -11.030 163 HE3 LYS 22 2HE LYS 22 5.737 14.338 -10.725 164 HZ1 LYS 22 3HZ LYS 22 2.820 14.770 -10.336 165 HZ2 LYS 22 1HZ LYS 22 3.977 15.889 -10.053 166 HZ3 LYS 22 2HZ LYS 22 3.905 14.540 -9.141 167 H HIS 23 H HIS 23 4.458 12.948 -17.311 168 HA HIS 23 HA HIS 23 4.245 10.280 -16.335 169 HB2 HIS 23 1HB HIS 23 2.813 9.866 -18.244 170 HB3 HIS 23 2HB HIS 23 2.429 11.409 -17.498 171 HD1 HIS 23 1HD HIS 23 3.956 9.992 -20.748 172 HD2 HIS 23 2HD HIS 23 2.770 13.622 -18.983 173 HE1 HIS 23 1HE HIS 23 3.989 11.733 -22.605 174 H SER 24 H SER 24 6.151 11.579 -19.078 175 HA SER 24 HA SER 24 7.097 9.099 -20.091 176 HB2 SER 24 1HB SER 24 8.481 11.802 -20.089 177 HB3 SER 24 2HB SER 24 8.916 10.406 -21.093 178 HG SER 24 HG SER 24 7.569 11.735 -22.289 179 H LEU 25 H LEU 25 8.526 11.199 -17.518 180 HA LEU 25 HA LEU 25 10.683 9.331 -16.987 181 HB2 LEU 25 1HB LEU 25 10.947 11.652 -16.354 182 HB3 LEU 25 2HB LEU 25 9.504 11.594 -15.340 183 HG LEU 25 HG LEU 25 10.643 9.929 -13.847 184 HD11 LEU 25 1HD1 LEU 25 13.060 9.585 -14.015 185 HD12 LEU 25 2HD1 LEU 25 13.127 10.545 -15.505 186 HD13 LEU 25 3HD1 LEU 25 12.280 8.983 -15.474 187 HD21 LEU 25 3HD2 LEU 25 12.262 12.452 -14.203 188 HD22 LEU 25 1HD2 LEU 25 12.157 11.451 -12.750 189 HD23 LEU 25 2HD2 LEU 25 10.725 12.329 -13.311 190 H GLN 26 H GLN 26 7.456 9.832 -15.413 191 HA GLN 26 HA GLN 26 7.829 7.899 -13.371 192 HB2 GLN 26 1HB GLN 26 5.370 9.016 -14.755 193 HB3 GLN 26 2HB GLN 26 5.221 7.807 -13.494 194 HG2 GLN 26 1HG GLN 26 6.664 10.484 -13.153 195 HG3 GLN 26 2HG GLN 26 4.998 10.182 -12.676 196 HE21 GLN 26 1HE2 GLN 26 7.004 11.077 -10.841 197 HE22 GLN 26 2HE2 GLN 26 7.240 9.778 -9.681 198 H ALA 27 H ALA 27 6.608 7.380 -16.705 199 HA ALA 27 HA ALA 27 6.171 4.543 -16.282 200 HB1 ALA 27 1HB ALA 27 6.482 6.168 -18.827 201 HB2 ALA 27 2HB ALA 27 5.837 4.513 -18.697 202 HB3 ALA 27 3HB ALA 27 4.962 5.869 -17.946 203 H HIS 28 H HIS 28 8.981 6.465 -17.414 204 HA HIS 28 HA HIS 28 10.611 4.216 -18.171 205 HB2 HIS 28 1HB HIS 28 11.256 6.384 -18.934 206 HB3 HIS 28 2HB HIS 28 11.247 7.056 -17.304 207 HD1 HIS 28 1HD HIS 28 13.278 4.421 -19.290 208 HD2 HIS 28 2HD HIS 28 13.427 6.861 -15.873 209 HE1 HIS 28 1HE HIS 28 15.564 4.041 -18.273 210 H LEU 29 H LEU 29 10.245 5.961 -15.053 211 HA LEU 29 HA LEU 29 12.300 4.706 -13.633 212 HB2 LEU 29 1HB LEU 29 9.654 5.913 -12.772 213 HB3 LEU 29 2HB LEU 29 10.780 5.267 -11.590 214 HG LEU 29 HG LEU 29 11.524 7.472 -13.551 215 HD11 LEU 29 1HD1 LEU 29 10.709 7.630 -10.618 216 HD12 LEU 29 2HD1 LEU 29 9.752 8.213 -11.998 217 HD13 LEU 29 3HD1 LEU 29 11.299 8.982 -11.611 218 HD21 LEU 29 3HD2 LEU 29 13.502 6.295 -12.732 219 HD22 LEU 29 1HD2 LEU 29 12.905 6.414 -11.060 220 HD23 LEU 29 2HD2 LEU 29 13.387 7.868 -11.958 221 H ARG 30 H ARG 30 9.224 3.281 -14.453 222 HA ARG 30 HA ARG 30 8.875 1.295 -12.499 223 HB2 ARG 30 1HB ARG 30 8.423 1.120 -15.513 224 HB3 ARG 30 2HB ARG 30 7.756 -0.004 -14.324 225 HG2 ARG 30 1HG ARG 30 6.468 1.799 -13.262 226 HG3 ARG 30 2HG ARG 30 7.161 2.987 -14.382 227 HD2 ARG 30 1HD ARG 30 6.186 1.756 -16.296 228 HD3 ARG 30 2HD ARG 30 5.423 0.618 -15.167 229 HE ARG 30 HE ARG 30 4.554 3.072 -14.265 230 HH11 ARG 30 2HH1 ARG 30 4.314 1.509 -17.392 231 HH12 ARG 30 1HH1 ARG 30 2.867 2.379 -17.818 232 HH21 ARG 30 2HH2 ARG 30 2.701 4.138 -14.867 233 HH22 ARG 30 1HH2 ARG 30 1.981 3.825 -16.418 234 H ILE 31 H ILE 31 11.307 1.265 -15.093 235 HA ILE 31 HA ILE 31 11.975 -1.530 -14.782 236 HB ILE 31 HB ILE 31 13.761 -1.189 -16.200 237 HG12 ILE 31 1HG1 ILE 31 13.587 1.808 -15.753 238 HG13 ILE 31 2HG1 ILE 31 14.880 0.720 -15.258 239 HG21 ILE 31 1HG2 ILE 31 11.621 0.718 -17.218 240 HG22 ILE 31 2HG2 ILE 31 12.669 -0.353 -18.165 241 HG23 ILE 31 3HG2 ILE 31 11.420 -1.048 -17.130 242 HD11 ILE 31 3HD1 ILE 31 15.302 0.171 -17.663 243 HD12 ILE 31 1HD1 ILE 31 14.162 1.470 -18.102 244 HD13 ILE 31 2HD1 ILE 31 15.643 1.852 -17.200 245 H HIS 32 H HIS 32 12.878 1.292 -13.012 246 HA HIS 32 HA HIS 32 15.178 -0.043 -11.666 247 HB2 HIS 32 1HB HIS 32 14.209 2.819 -11.414 248 HB3 HIS 32 2HB HIS 32 15.728 2.148 -10.845 249 HD1 HIS 32 1HD HIS 32 17.356 1.217 -13.095 250 HD2 HIS 32 2HD HIS 32 14.441 4.201 -13.522 251 HE1 HIS 32 1HE HIS 32 18.056 2.581 -15.125 252 H THR 33 H THR 33 11.978 1.437 -10.947 253 HA THR 33 HA THR 33 12.325 1.227 -8.082 254 HB THR 33 HB THR 33 9.991 2.034 -7.969 255 HG1 THR 33 1HG THR 33 8.950 2.541 -9.884 256 HG21 THR 33 3HG2 THR 33 11.839 3.655 -8.172 257 HG22 THR 33 1HG2 THR 33 10.376 4.232 -8.986 258 HG23 THR 33 2HG2 THR 33 11.728 3.585 -9.940 259 H ASN 34 H ASN 34 11.153 -1.074 -10.380 260 HA ASN 34 HA ASN 34 10.304 -2.824 -8.114 261 HB2 ASN 34 1HB ASN 34 8.319 -1.988 -9.354 262 HB3 ASN 34 2HB ASN 34 8.976 -2.669 -10.845 263 HD21 ASN 34 1HD2 ASN 34 6.676 -3.681 -10.597 264 HD22 ASN 34 2HD2 ASN 34 6.646 -5.225 -9.758 265 H GLU 35 H GLU 35 11.452 -4.577 -7.947 266 HA GLU 35 HA GLU 35 12.635 -5.929 -10.335 267 HB2 GLU 35 1HB GLU 35 14.024 -5.474 -7.665 268 HB3 GLU 35 2HB GLU 35 14.655 -6.424 -9.016 269 HG2 GLU 35 1HG GLU 35 14.631 -4.367 -10.442 270 HG3 GLU 35 2HG GLU 35 14.157 -3.422 -9.026 271 H LYS 36 H LYS 36 10.215 -6.347 -8.333 272 HA LYS 36 HA LYS 36 10.969 -8.686 -6.791 273 HB2 LYS 36 1HB LYS 36 8.443 -7.101 -7.185 274 HB3 LYS 36 2HB LYS 36 8.335 -8.718 -6.520 275 HG2 LYS 36 1HG LYS 36 8.407 -7.156 -4.716 276 HG3 LYS 36 2HG LYS 36 9.881 -8.127 -4.696 277 HD2 LYS 36 1HD LYS 36 11.163 -6.251 -5.649 278 HD3 LYS 36 2HD LYS 36 9.670 -5.290 -5.808 279 HE2 LYS 36 1HE LYS 36 9.352 -5.406 -3.344 280 HE3 LYS 36 2HE LYS 36 10.831 -6.362 -3.192 281 HZ1 LYS 36 3HZ LYS 36 10.706 -3.567 -4.206 282 HZ2 LYS 36 1HZ LYS 36 12.076 -4.453 -4.064 283 HZ3 LYS 36 2HZ LYS 36 11.242 -4.016 -2.736 284 HA PRO 37 HA PRO 37 10.276 -11.622 -10.033 285 HB2 PRO 37 1HB PRO 37 10.470 -13.987 -8.644 286 HB3 PRO 37 2HB PRO 37 11.847 -12.906 -8.984 287 HG2 PRO 37 1HG PRO 37 10.195 -13.054 -6.449 288 HG3 PRO 37 2HG PRO 37 11.979 -13.050 -6.606 289 HD2 PRO 37 1HD PRO 37 10.586 -10.779 -6.057 290 HD3 PRO 37 2HD PRO 37 12.015 -10.751 -7.129 291 H TYR 38 H TYR 38 8.223 -12.091 -7.102 292 HA TYR 38 HA TYR 38 6.410 -13.828 -8.622 293 HB2 TYR 38 1HB TYR 38 6.336 -12.988 -5.712 294 HB3 TYR 38 2HB TYR 38 5.250 -14.127 -6.476 295 HD1 TYR 38 1HD TYR 38 6.233 -16.203 -7.647 296 HD2 TYR 38 2HD TYR 38 8.431 -13.747 -4.886 297 HE1 TYR 38 1HE TYR 38 7.850 -18.067 -7.283 298 HE2 TYR 38 2HE TYR 38 10.053 -15.607 -4.503 299 HH TYR 38 HH TYR 38 9.752 -18.755 -6.199 300 H LYS 39 H LYS 39 5.687 -12.437 -10.158 301 HA LYS 39 HA LYS 39 4.132 -10.021 -9.490 302 HB2 LYS 39 1HB LYS 39 4.966 -11.292 -12.113 303 HB3 LYS 39 2HB LYS 39 3.993 -9.820 -11.997 304 HG2 LYS 39 1HG LYS 39 5.757 -8.630 -10.856 305 HG3 LYS 39 2HG LYS 39 6.732 -10.097 -10.694 306 HD2 LYS 39 1HD LYS 39 6.917 -10.235 -13.165 307 HD3 LYS 39 2HD LYS 39 5.985 -8.726 -13.313 308 HE2 LYS 39 1HE LYS 39 7.714 -7.538 -11.972 309 HE3 LYS 39 2HE LYS 39 8.632 -9.039 -11.816 310 HZ1 LYS 39 3HZ LYS 39 8.902 -9.051 -14.241 311 HZ2 LYS 39 1HZ LYS 39 9.495 -7.663 -13.622 312 HZ3 LYS 39 2HZ LYS 39 8.054 -7.662 -14.389 313 H CYS 40 H CYS 40 2.036 -9.651 -9.870 314 HA CYS 40 HA CYS 40 0.184 -11.881 -9.824 315 HB2 CYS 40 1HB CYS 40 -0.116 -9.908 -8.484 316 HB3 CYS 40 2HB CYS 40 -0.171 -8.879 -9.931 317 HA PRO 41 HA PRO 41 -0.531 -11.828 -14.315 318 HB2 PRO 41 1HB PRO 41 -2.519 -13.666 -14.490 319 HB3 PRO 41 2HB PRO 41 -0.844 -14.121 -14.053 320 HG2 PRO 41 1HG PRO 41 -3.186 -13.629 -12.184 321 HG3 PRO 41 2HG PRO 41 -2.053 -15.015 -12.194 322 HD2 PRO 41 1HD PRO 41 -1.746 -12.823 -10.557 323 HD3 PRO 41 2HD PRO 41 -0.352 -13.749 -11.192 324 H GLN 42 H GLN 42 -2.739 -10.772 -11.845 325 HA GLN 42 HA GLN 42 -4.770 -9.850 -13.839 326 HB2 GLN 42 1HB GLN 42 -4.928 -10.455 -10.876 327 HB3 GLN 42 2HB GLN 42 -6.212 -9.629 -11.751 328 HG2 GLN 42 1HG GLN 42 -5.171 -12.395 -12.509 329 HG3 GLN 42 2HG GLN 42 -6.536 -12.107 -11.440 330 HE21 GLN 42 1HE2 GLN 42 -8.456 -10.931 -12.364 331 HE22 GLN 42 2HE2 GLN 42 -8.784 -11.136 -14.079 332 H CYS 43 H CYS 43 -2.478 -8.522 -11.394 333 HA CYS 43 HA CYS 43 -3.188 -5.838 -12.408 334 HB2 CYS 43 1HB CYS 43 -3.561 -4.921 -10.231 335 HB3 CYS 43 2HB CYS 43 -4.657 -6.276 -10.460 336 H SER 44 H SER 44 -1.693 -4.213 -11.004 337 HA SER 44 HA SER 44 0.965 -4.688 -11.986 338 HB2 SER 44 1HB SER 44 -0.029 -2.484 -10.147 339 HB3 SER 44 2HB SER 44 1.457 -2.466 -11.114 340 HG SER 44 HG SER 44 -0.267 -1.341 -12.142 341 H TYR 45 H TYR 45 -0.316 -5.971 -9.214 342 HA TYR 45 HA TYR 45 1.566 -5.478 -7.171 343 HB2 TYR 45 1HB TYR 45 -0.629 -6.401 -6.792 344 HB3 TYR 45 2HB TYR 45 -0.282 -7.802 -7.788 345 HD1 TYR 45 1HD TYR 45 1.375 -9.567 -6.904 346 HD2 TYR 45 2HD TYR 45 0.041 -6.240 -4.495 347 HE1 TYR 45 1HE TYR 45 2.174 -10.726 -4.854 348 HE2 TYR 45 2HE TYR 45 0.825 -7.414 -2.449 349 HH TYR 45 HH TYR 45 1.801 -9.286 -1.594 350 H ALA 46 H ALA 46 3.379 -6.417 -6.500 351 HA ALA 46 HA ALA 46 4.315 -8.962 -7.554 352 HB1 ALA 46 1HB ALA 46 5.285 -7.247 -9.121 353 HB2 ALA 46 2HB ALA 46 6.131 -6.523 -7.740 354 HB3 ALA 46 3HB ALA 46 6.506 -8.190 -8.250 355 H SER 47 H SER 47 5.763 -10.055 -6.148 356 HA SER 47 HA SER 47 6.707 -8.647 -3.707 357 HB2 SER 47 1HB SER 47 4.468 -9.796 -3.268 358 HB3 SER 47 2HB SER 47 5.319 -11.335 -3.490 359 HG SER 47 HG SER 47 5.791 -9.274 -1.573 360 H ALA 48 H ALA 48 8.215 -9.944 -2.416 361 HA ALA 48 HA ALA 48 10.174 -11.392 -4.089 362 HB1 ALA 48 1HB ALA 48 10.916 -9.564 -2.608 363 HB2 ALA 48 2HB ALA 48 10.289 -10.451 -1.196 364 HB3 ALA 48 3HB ALA 48 11.636 -11.117 -2.143 365 H ILE 49 H ILE 49 7.489 -12.274 -2.245 366 HA ILE 49 HA ILE 49 8.561 -15.008 -1.645 367 HB ILE 49 HB ILE 49 6.502 -13.363 -0.156 368 HG12 ILE 49 1HG1 ILE 49 8.780 -12.455 0.224 369 HG13 ILE 49 2HG1 ILE 49 8.007 -13.080 1.657 370 HG21 ILE 49 1HG2 ILE 49 6.706 -15.146 1.611 371 HG22 ILE 49 2HG2 ILE 49 5.934 -15.663 0.122 372 HG23 ILE 49 3HG2 ILE 49 7.611 -16.131 0.437 373 HD11 ILE 49 3HD1 ILE 49 10.409 -13.695 1.518 374 HD12 ILE 49 1HD1 ILE 49 9.350 -15.116 1.587 375 HD13 ILE 49 2HD1 ILE 49 10.075 -14.625 0.039 376 H LYS 50 H LYS 50 7.488 -16.698 -2.491 377 HA LYS 50 HA LYS 50 5.303 -16.383 -4.325 378 HB2 LYS 50 1HB LYS 50 7.097 -18.196 -4.278 379 HB3 LYS 50 2HB LYS 50 6.194 -18.964 -2.969 380 HG2 LYS 50 1HG LYS 50 4.214 -19.165 -4.467 381 HG3 LYS 50 2HG LYS 50 5.105 -18.338 -5.758 382 HD2 LYS 50 1HD LYS 50 6.783 -20.171 -5.772 383 HD3 LYS 50 2HD LYS 50 5.886 -20.997 -4.478 384 HE2 LYS 50 1HE LYS 50 3.886 -21.125 -5.954 385 HE3 LYS 50 2HE LYS 50 4.783 -20.309 -7.242 386 HZ1 LYS 50 3HZ LYS 50 5.502 -22.949 -6.074 387 HZ2 LYS 50 1HZ LYS 50 6.332 -22.197 -7.264 388 HZ3 LYS 50 2HZ LYS 50 4.811 -22.721 -7.534 389 H ALA 51 H ALA 51 5.363 -17.417 -0.920 390 HA ALA 51 HA ALA 51 2.576 -17.962 -0.657 391 HB1 ALA 51 1HB ALA 51 4.294 -18.689 0.962 392 HB2 ALA 51 2HB ALA 51 4.545 -16.999 1.462 393 HB3 ALA 51 3HB ALA 51 2.983 -17.786 1.743 394 H ASN 52 H ASN 52 4.361 -14.802 -0.343 395 HA ASN 52 HA ASN 52 2.041 -13.283 0.424 396 HB2 ASN 52 1HB ASN 52 4.535 -12.488 -1.137 397 HB3 ASN 52 2HB ASN 52 3.282 -11.361 -0.671 398 HD21 ASN 52 1HD2 ASN 52 5.683 -10.732 0.124 399 HD22 ASN 52 2HD2 ASN 52 5.843 -10.975 1.867 400 H LEU 53 H LEU 53 3.297 -14.111 -2.870 401 HA LEU 53 HA LEU 53 1.177 -12.820 -4.262 402 HB2 LEU 53 1HB LEU 53 3.264 -13.473 -5.338 403 HB3 LEU 53 2HB LEU 53 2.913 -15.182 -5.062 404 HG LEU 53 HG LEU 53 0.921 -15.012 -6.545 405 HD11 LEU 53 1HD1 LEU 53 1.940 -12.194 -7.119 406 HD12 LEU 53 2HD1 LEU 53 0.397 -12.605 -6.334 407 HD13 LEU 53 3HD1 LEU 53 0.665 -13.049 -8.017 408 HD21 LEU 53 3HD2 LEU 53 2.110 -14.926 -8.638 409 HD22 LEU 53 1HD2 LEU 53 3.136 -15.708 -7.423 410 HD23 LEU 53 2HD2 LEU 53 3.440 -14.020 -7.901 411 H ASN 54 H ASN 54 1.315 -16.160 -2.903 412 HA ASN 54 HA ASN 54 -1.232 -16.975 -3.931 413 HB2 ASN 54 1HB ASN 54 0.458 -18.519 -3.018 414 HB3 ASN 54 2HB ASN 54 0.232 -17.846 -1.405 415 HD21 ASN 54 1HD2 ASN 54 -1.456 -18.667 -0.127 416 HD22 ASN 54 2HD2 ASN 54 -2.624 -19.822 -0.748 417 H VAL 55 H VAL 55 -0.417 -15.324 -0.852 418 HA VAL 55 HA VAL 55 -3.121 -15.090 0.134 419 HB VAL 55 HB VAL 55 -0.575 -13.547 0.742 420 HG11 VAL 55 1HG1 VAL 55 -1.698 -12.840 2.857 421 HG12 VAL 55 2HG1 VAL 55 -2.405 -12.084 1.430 422 HG13 VAL 55 3HG1 VAL 55 -3.243 -13.445 2.215 423 HG21 VAL 55 3HG2 VAL 55 -2.088 -15.693 2.294 424 HG22 VAL 55 1HG2 VAL 55 -0.622 -15.973 1.342 425 HG23 VAL 55 2HG2 VAL 55 -0.551 -14.929 2.763 426 H HIS 56 H HIS 56 -1.314 -13.233 -2.199 427 HA HIS 56 HA HIS 56 -3.325 -11.101 -2.402 428 HB2 HIS 56 1HB HIS 56 -0.966 -10.641 -2.795 429 HB3 HIS 56 2HB HIS 56 -0.907 -11.834 -4.095 430 HD1 HIS 56 1HD HIS 56 -2.753 -8.518 -3.332 431 HD2 HIS 56 2HD HIS 56 -1.577 -11.041 -6.483 432 HE1 HIS 56 1HE HIS 56 -3.516 -7.368 -5.447 433 H LEU 57 H LEU 57 -2.519 -13.959 -4.451 434 HA LEU 57 HA LEU 57 -4.432 -13.453 -6.494 435 HB2 LEU 57 1HB LEU 57 -3.136 -15.922 -5.384 436 HB3 LEU 57 2HB LEU 57 -4.251 -16.046 -6.733 437 HG LEU 57 HG LEU 57 -1.763 -14.285 -6.838 438 HD11 LEU 57 1HD1 LEU 57 -1.132 -16.627 -6.409 439 HD12 LEU 57 2HD1 LEU 57 -0.725 -16.158 -8.071 440 HD13 LEU 57 3HD1 LEU 57 -2.160 -17.165 -7.756 441 HD21 LEU 57 3HD2 LEU 57 -2.087 -14.611 -9.286 442 HD22 LEU 57 1HD2 LEU 57 -3.426 -13.725 -8.540 443 HD23 LEU 57 2HD2 LEU 57 -3.619 -15.443 -8.967 444 H ARG 58 H ARG 58 -4.880 -15.134 -3.370 445 HA ARG 58 HA ARG 58 -7.578 -15.970 -3.881 446 HB2 ARG 58 1HB ARG 58 -7.786 -16.385 -1.547 447 HB3 ARG 58 2HB ARG 58 -6.203 -16.910 -2.121 448 HG2 ARG 58 1HG ARG 58 -5.149 -14.930 -1.187 449 HG3 ARG 58 2HG ARG 58 -6.699 -14.294 -0.618 450 HD2 ARG 58 1HD ARG 58 -5.490 -16.954 0.228 451 HD3 ARG 58 2HD ARG 58 -5.293 -15.436 1.132 452 HE ARG 58 HE ARG 58 -8.062 -15.789 0.772 453 HH11 ARG 58 2HH1 ARG 58 -5.525 -17.467 2.514 454 HH12 ARG 58 1HH1 ARG 58 -6.631 -18.067 3.720 455 HH21 ARG 58 2HH2 ARG 58 -9.415 -16.599 2.336 456 HH22 ARG 58 1HH2 ARG 58 -8.772 -17.584 3.615 457 H LYS 59 H LYS 59 -6.463 -12.790 -3.461 458 HA LYS 59 HA LYS 59 -9.083 -11.659 -2.676 459 HB2 LYS 59 1HB LYS 59 -6.688 -10.166 -3.812 460 HB3 LYS 59 2HB LYS 59 -8.070 -9.507 -2.940 461 HG2 LYS 59 1HG LYS 59 -7.344 -10.870 -0.920 462 HG3 LYS 59 2HG LYS 59 -5.864 -11.275 -1.814 463 HD2 LYS 59 1HD LYS 59 -5.295 -8.877 -1.989 464 HD3 LYS 59 2HD LYS 59 -6.773 -8.464 -1.086 465 HE2 LYS 59 1HE LYS 59 -5.968 -9.871 0.820 466 HE3 LYS 59 2HE LYS 59 -4.477 -10.206 -0.065 467 HZ1 LYS 59 3HZ LYS 59 -5.382 -7.508 0.806 468 HZ2 LYS 59 1HZ LYS 59 -3.998 -7.801 -0.012 469 HZ3 LYS 59 2HZ LYS 59 -4.189 -8.370 1.505 470 H HIS 60 H HIS 60 -7.566 -12.675 -5.603 471 HA HIS 60 HA HIS 60 -9.318 -11.082 -7.344 472 HB2 HIS 60 1HB HIS 60 -7.000 -12.954 -7.902 473 HB3 HIS 60 2HB HIS 60 -7.977 -12.258 -9.172 474 HD1 HIS 60 1HD HIS 60 -8.190 -9.304 -8.778 475 HD2 HIS 60 2HD HIS 60 -4.825 -11.587 -7.602 476 HE1 HIS 60 1HE HIS 60 -6.253 -7.695 -8.742 477 H THR 61 H THR 61 -10.566 -13.220 -5.616 478 HA THR 61 HA THR 61 -11.590 -15.228 -7.461 479 HB THR 61 HB THR 61 -13.361 -15.525 -5.672 480 HG1 THR 61 1HG THR 61 -13.207 -13.452 -4.734 481 HG21 THR 61 3HG2 THR 61 -10.441 -15.694 -4.807 482 HG22 THR 61 1HG2 THR 61 -11.335 -16.916 -5.735 483 HG23 THR 61 2HG2 THR 61 -11.805 -16.559 -4.063 484 H GLY 62 H GLY 62 -13.320 -15.152 -8.803 485 HA2 GLY 62 1HA GLY 62 -15.185 -14.398 -9.912 486 HA3 GLY 62 2HA GLY 62 -15.525 -13.322 -8.557 487 H GLU 63 H GLU 63 -12.452 -12.976 -10.259 488 HA GLU 63 HA GLU 63 -13.099 -10.256 -11.082 489 HB2 GLU 63 1HB GLU 63 -10.636 -12.025 -11.262 490 HB3 GLU 63 2HB GLU 63 -10.664 -10.393 -11.910 491 HG2 GLU 63 1HG GLU 63 -11.360 -10.886 -8.997 492 HG3 GLU 63 2HG GLU 63 -9.701 -10.808 -9.584 493 H LYS 64 H LYS 64 -12.371 -9.493 -13.127 494 HA LYS 64 HA LYS 64 -13.584 -10.814 -15.434 495 HB2 LYS 64 1HB LYS 64 -11.956 -8.268 -15.077 496 HB3 LYS 64 2HB LYS 64 -12.457 -8.833 -16.663 497 HG2 LYS 64 1HG LYS 64 -14.373 -8.107 -14.407 498 HG3 LYS 64 2HG LYS 64 -13.915 -7.081 -15.768 499 HD2 LYS 64 1HD LYS 64 -14.794 -9.021 -17.286 500 HD3 LYS 64 2HD LYS 64 -15.523 -9.654 -15.825 501 HE2 LYS 64 1HE LYS 64 -17.215 -8.421 -16.905 502 HE3 LYS 64 2HE LYS 64 -16.708 -7.443 -15.520 503 HZ1 LYS 64 3HZ LYS 64 -15.375 -6.101 -17.085 504 HZ2 LYS 64 1HZ LYS 64 -16.938 -6.118 -17.551 505 HZ3 LYS 64 2HZ LYS 64 -15.851 -7.039 -18.347 506 H PHE 65 H PHE 65 -12.700 -11.647 -17.167 507 HA PHE 65 HA PHE 65 -9.750 -12.014 -17.441 508 HB2 PHE 65 1HB PHE 65 -11.982 -13.969 -18.137 509 HB3 PHE 65 2HB PHE 65 -10.303 -14.152 -18.613 510 HD1 PHE 65 1HD PHE 65 -12.602 -14.071 -15.682 511 HD2 PHE 65 2HD PHE 65 -8.636 -15.005 -17.081 512 HE1 PHE 65 1HE PHE 65 -12.138 -15.258 -13.554 513 HE2 PHE 65 2HE PHE 65 -8.161 -16.175 -14.941 514 HZ PHE 65 HZ PHE 65 -9.914 -16.316 -13.181 515 H ALA 66 H ALA 66 -8.975 -11.350 -19.430 516 HA ALA 66 HA ALA 66 -10.971 -10.098 -21.270 517 HB1 ALA 66 1HB ALA 66 -9.359 -8.296 -21.549 518 HB2 ALA 66 2HB ALA 66 -9.740 -8.511 -19.829 519 HB3 ALA 66 3HB ALA 66 -8.203 -9.120 -20.483 520 H CYS 67 H CYS 67 -10.692 -10.086 -23.424 521 HA CYS 67 HA CYS 67 -9.197 -12.218 -24.660 522 HB2 CYS 67 1HB CYS 67 -11.449 -11.464 -25.280 523 HB3 CYS 67 2HB CYS 67 -10.780 -9.916 -25.810 524 H ASP 68 H ASP 68 -7.574 -12.142 -26.110 525 HA ASP 68 HA ASP 68 -5.646 -9.879 -25.908 526 HB2 ASP 68 1HB ASP 68 -4.963 -12.235 -25.334 527 HB3 ASP 68 2HB ASP 68 -5.243 -12.678 -27.018 528 H TYR 69 H TYR 69 -8.061 -11.001 -27.981 529 HA TYR 69 HA TYR 69 -6.751 -9.959 -30.467 530 HB2 TYR 69 1HB TYR 69 -8.907 -12.050 -30.129 531 HB3 TYR 69 2HB TYR 69 -8.178 -11.560 -31.650 532 HD1 TYR 69 1HD TYR 69 -5.720 -12.083 -32.065 533 HD2 TYR 69 2HD TYR 69 -7.921 -13.690 -28.721 534 HE1 TYR 69 1HE TYR 69 -4.002 -13.865 -31.792 535 HE2 TYR 69 2HE TYR 69 -6.201 -15.479 -28.455 536 HH TYR 69 HH TYR 69 -3.340 -15.706 -30.599 537 H CYS 70 H CYS 70 -9.435 -9.439 -28.330 538 HA CYS 70 HA CYS 70 -10.232 -7.114 -29.885 539 HB2 CYS 70 1HB CYS 70 -12.569 -7.590 -30.044 540 HB3 CYS 70 2HB CYS 70 -11.674 -8.871 -30.837 541 H SER 71 H SER 71 -12.326 -6.175 -28.516 542 HA SER 71 HA SER 71 -11.193 -5.438 -25.934 543 HB2 SER 71 1HB SER 71 -13.793 -4.567 -27.236 544 HB3 SER 71 2HB SER 71 -12.990 -3.795 -25.856 545 HG SER 71 HG SER 71 -12.517 -2.733 -27.839 546 H PHE 72 H PHE 72 -12.962 -8.127 -26.633 547 HA PHE 72 HA PHE 72 -15.149 -8.087 -24.833 548 HB2 PHE 72 1HB PHE 72 -14.943 -9.636 -26.687 549 HB3 PHE 72 2HB PHE 72 -13.501 -10.354 -25.979 550 HD1 PHE 72 1HD PHE 72 -17.192 -10.046 -25.632 551 HD2 PHE 72 2HD PHE 72 -13.623 -12.070 -24.298 552 HE1 PHE 72 1HE PHE 72 -18.584 -11.774 -24.512 553 HE2 PHE 72 2HE PHE 72 -15.016 -13.801 -23.197 554 HZ PHE 72 HZ PHE 72 -17.499 -13.648 -23.296 555 H THR 73 H THR 73 -15.542 -8.915 -22.828 556 HA THR 73 HA THR 73 -13.382 -10.164 -21.276 557 HB THR 73 HB THR 73 -13.936 -9.022 -19.211 558 HG1 THR 73 1HG THR 73 -15.470 -7.290 -20.850 559 HG21 THR 73 3HG2 THR 73 -13.162 -6.969 -21.314 560 HG22 THR 73 1HG2 THR 73 -12.058 -8.105 -20.509 561 HG23 THR 73 2HG2 THR 73 -12.897 -6.869 -19.556 562 H CYS 74 H CYS 74 -14.050 -11.505 -19.619 563 HA CYS 74 HA CYS 74 -16.912 -12.097 -19.199 564 HB2 CYS 74 1HB CYS 74 -16.561 -14.510 -19.670 565 HB3 CYS 74 2HB CYS 74 -16.295 -13.517 -21.101 566 HG CYS 74 HG CYS 74 -13.661 -13.333 -20.796 567 H LEU 75 H LEU 75 -16.861 -14.137 -17.511 568 HA LEU 75 HA LEU 75 -15.090 -13.191 -15.312 569 HB2 LEU 75 1HB LEU 75 -17.830 -13.080 -15.461 570 HB3 LEU 75 2HB LEU 75 -17.607 -14.619 -14.649 571 HG LEU 75 HG LEU 75 -16.097 -13.371 -12.972 572 HD11 LEU 75 1HD1 LEU 75 -16.438 -10.901 -12.854 573 HD12 LEU 75 2HD1 LEU 75 -17.324 -10.952 -14.394 574 HD13 LEU 75 3HD1 LEU 75 -15.600 -11.363 -14.335 575 HD21 LEU 75 3HD2 LEU 75 -18.437 -13.960 -12.463 576 HD22 LEU 75 1HD2 LEU 75 -18.993 -12.455 -13.230 577 HD23 LEU 75 2HD2 LEU 75 -17.999 -12.396 -11.755 578 H SER 76 H SER 76 -14.644 -15.514 -17.292 579 HA SER 76 HA SER 76 -13.348 -17.222 -15.292 580 HB2 SER 76 1HB SER 76 -15.474 -18.351 -15.377 581 HB3 SER 76 2HB SER 76 -15.499 -18.302 -17.147 582 HG SER 76 HG SER 76 -14.797 -20.339 -16.123 583 H LYS 77 H LYS 77 -11.497 -18.141 -16.053 584 HA LYS 77 HA LYS 77 -10.394 -17.513 -18.628 585 HB2 LYS 77 1HB LYS 77 -8.617 -19.059 -18.059 586 HB3 LYS 77 2HB LYS 77 -8.993 -18.007 -16.698 587 HG2 LYS 77 1HG LYS 77 -10.346 -19.870 -15.672 588 HG3 LYS 77 2HG LYS 77 -9.838 -20.929 -16.993 589 HD2 LYS 77 1HD LYS 77 -7.971 -19.556 -15.008 590 HD3 LYS 77 2HD LYS 77 -8.523 -21.235 -14.913 591 HE2 LYS 77 1HE LYS 77 -7.468 -21.702 -17.128 592 HE3 LYS 77 2HE LYS 77 -6.864 -20.040 -17.179 593 HZ1 LYS 77 3HZ LYS 77 -5.180 -21.564 -16.331 594 HZ2 LYS 77 1HZ LYS 77 -6.146 -22.049 -15.111 595 HZ3 LYS 77 2HZ LYS 77 -5.589 -20.513 -15.153 596 H GLY 78 H GLY 78 -12.473 -20.154 -17.608 597 HA2 GLY 78 1HA GLY 78 -12.117 -21.846 -19.948 598 HA3 GLY 78 2HA GLY 78 -13.468 -21.869 -18.804 599 H HIS 79 H HIS 79 -14.434 -19.238 -19.060 600 HA HIS 79 HA HIS 79 -15.935 -19.335 -21.519 601 HB2 HIS 79 1HB HIS 79 -16.654 -18.349 -19.319 602 HB3 HIS 79 2HB HIS 79 -15.597 -16.976 -19.638 603 HD1 HIS 79 1HD HIS 79 -16.521 -16.828 -22.858 604 HD2 HIS 79 2HD HIS 79 -18.913 -17.025 -19.407 605 HE1 HIS 79 1HE HIS 79 -18.790 -15.839 -23.503 606 H LEU 80 H LEU 80 -13.010 -17.521 -20.531 607 HA LEU 80 HA LEU 80 -12.733 -16.008 -22.943 608 HB2 LEU 80 1HB LEU 80 -11.570 -15.419 -20.885 609 HB3 LEU 80 2HB LEU 80 -10.700 -16.950 -20.888 610 HG LEU 80 HG LEU 80 -9.471 -16.313 -22.910 611 HD11 LEU 80 1HD1 LEU 80 -10.937 -13.639 -22.722 612 HD12 LEU 80 2HD1 LEU 80 -11.130 -14.839 -24.024 613 HD13 LEU 80 3HD1 LEU 80 -9.581 -14.045 -23.797 614 HD21 LEU 80 3HD2 LEU 80 -8.599 -15.703 -20.672 615 HD22 LEU 80 1HD2 LEU 80 -9.401 -14.120 -20.807 616 HD23 LEU 80 2HD2 LEU 80 -8.100 -14.558 -21.929 617 H LYS 81 H LYS 81 -11.347 -19.198 -22.014 618 HA LYS 81 HA LYS 81 -9.967 -19.740 -24.440 619 HB2 LYS 81 1HB LYS 81 -9.708 -20.949 -22.297 620 HB3 LYS 81 2HB LYS 81 -11.320 -21.629 -22.459 621 HG2 LYS 81 1HG LYS 81 -9.539 -23.218 -22.969 622 HG3 LYS 81 2HG LYS 81 -10.635 -22.994 -24.336 623 HD2 LYS 81 1HD LYS 81 -9.026 -21.862 -25.621 624 HD3 LYS 81 2HD LYS 81 -8.090 -21.362 -24.210 625 HE2 LYS 81 1HE LYS 81 -6.951 -23.083 -25.592 626 HE3 LYS 81 2HE LYS 81 -7.147 -23.525 -23.895 627 HZ1 LYS 81 3HZ LYS 81 -8.935 -24.994 -24.490 628 HZ2 LYS 81 1HZ LYS 81 -7.694 -25.338 -25.489 629 HZ3 LYS 81 2HZ LYS 81 -8.984 -24.483 -26.034 630 H VAL 82 H VAL 82 -13.358 -20.476 -23.572 631 HA VAL 82 HA VAL 82 -14.095 -21.581 -26.127 632 HB VAL 82 HB VAL 82 -15.725 -20.306 -23.897 633 HG11 VAL 82 1HG1 VAL 82 -17.713 -21.399 -24.937 634 HG12 VAL 82 2HG1 VAL 82 -17.082 -20.073 -25.914 635 HG13 VAL 82 3HG1 VAL 82 -16.734 -21.758 -26.378 636 HG21 VAL 82 3HG2 VAL 82 -14.584 -22.486 -23.397 637 HG22 VAL 82 1HG2 VAL 82 -16.345 -22.625 -23.398 638 HG23 VAL 82 2HG2 VAL 82 -15.405 -23.210 -24.790 639 H HIS 83 H HIS 83 -14.272 -18.167 -24.924 640 HA HIS 83 HA HIS 83 -15.466 -17.056 -27.251 641 HB2 HIS 83 1HB HIS 83 -15.276 -15.738 -25.258 642 HB3 HIS 83 2HB HIS 83 -13.526 -15.914 -25.209 643 HD1 HIS 83 1HD HIS 83 -16.211 -13.945 -27.113 644 HD2 HIS 83 2HD HIS 83 -12.044 -14.304 -26.722 645 HE1 HIS 83 1HE HIS 83 -15.230 -11.979 -28.378 646 H ILE 84 H ILE 84 -11.956 -17.562 -26.553 647 HA ILE 84 HA ILE 84 -11.077 -16.510 -29.079 648 HB ILE 84 HB ILE 84 -9.730 -18.425 -27.145 649 HG12 ILE 84 1HG1 ILE 84 -9.252 -15.442 -27.645 650 HG13 ILE 84 2HG1 ILE 84 -10.308 -16.035 -26.376 651 HG21 ILE 84 1HG2 ILE 84 -8.537 -16.902 -29.519 652 HG22 ILE 84 2HG2 ILE 84 -7.615 -17.850 -28.334 653 HG23 ILE 84 3HG2 ILE 84 -8.725 -18.673 -29.413 654 HD11 ILE 84 3HD1 ILE 84 -7.319 -16.539 -26.542 655 HD12 ILE 84 1HD1 ILE 84 -8.186 -15.493 -25.409 656 HD13 ILE 84 2HD1 ILE 84 -8.415 -17.252 -25.332 657 H GLU 85 H GLU 85 -11.805 -19.889 -28.091 658 HA GLU 85 HA GLU 85 -11.201 -21.109 -30.583 659 HB2 GLU 85 1HB GLU 85 -13.062 -21.842 -28.308 660 HB3 GLU 85 2HB GLU 85 -12.877 -22.865 -29.743 661 HG2 GLU 85 1HG GLU 85 -10.491 -23.076 -29.386 662 HG3 GLU 85 2HG GLU 85 -10.535 -21.992 -28.006 663 H ARG 86 H ARG 86 -14.208 -19.484 -29.576 664 HA ARG 86 HA ARG 86 -15.618 -20.329 -32.037 665 HB2 ARG 86 1HB ARG 86 -16.439 -18.664 -29.633 666 HB3 ARG 86 2HB ARG 86 -17.485 -18.963 -31.029 667 HG2 ARG 86 1HG ARG 86 -17.313 -21.404 -30.682 668 HG3 ARG 86 2HG ARG 86 -16.282 -21.144 -29.262 669 HD2 ARG 86 1HD ARG 86 -18.098 -19.873 -28.174 670 HD3 ARG 86 2HD ARG 86 -19.132 -20.126 -29.597 671 HE ARG 86 HE ARG 86 -18.289 -22.677 -28.757 672 HH11 ARG 86 2HH1 ARG 86 -20.297 -20.136 -27.423 673 HH12 ARG 86 1HH1 ARG 86 -21.229 -21.251 -26.463 674 HH21 ARG 86 2HH2 ARG 86 -19.518 -24.044 -27.510 675 HH22 ARG 86 1HH2 ARG 86 -20.796 -23.406 -26.518 676 H VAL 87 H VAL 87 -14.192 -17.309 -30.833 677 HA VAL 87 HA VAL 87 -15.325 -15.842 -33.151 678 HB VAL 87 HB VAL 87 -13.962 -14.766 -30.663 679 HG11 VAL 87 1HG1 VAL 87 -15.085 -12.642 -31.276 680 HG12 VAL 87 2HG1 VAL 87 -13.911 -13.126 -32.495 681 HG13 VAL 87 3HG1 VAL 87 -15.644 -13.377 -32.793 682 HG21 VAL 87 3HG2 VAL 87 -16.063 -15.916 -30.054 683 HG22 VAL 87 1HG2 VAL 87 -16.296 -14.172 -29.969 684 HG23 VAL 87 2HG2 VAL 87 -16.924 -15.075 -31.362 685 H HIS 88 H HIS 88 -12.096 -16.731 -31.914 686 HA HIS 88 HA HIS 88 -10.877 -15.070 -34.106 687 HB2 HIS 88 1HB HIS 88 -9.755 -15.803 -31.387 688 HB3 HIS 88 2HB HIS 88 -8.973 -14.794 -32.604 689 HD1 HIS 88 1HD HIS 88 -10.697 -12.527 -33.301 690 HD2 HIS 88 2HD HIS 88 -10.970 -14.430 -29.566 691 HE1 HIS 88 1HE HIS 88 -11.817 -10.852 -31.752 692 H LYS 89 H LYS 89 -10.709 -18.281 -32.583 693 HA LYS 89 HA LYS 89 -8.321 -19.104 -33.958 694 HB2 LYS 89 1HB LYS 89 -9.240 -19.967 -31.765 695 HB3 LYS 89 2HB LYS 89 -10.465 -20.848 -32.697 696 HG2 LYS 89 1HG LYS 89 -8.666 -22.096 -33.865 697 HG3 LYS 89 2HG LYS 89 -7.443 -21.171 -32.967 698 HD2 LYS 89 1HD LYS 89 -8.439 -22.038 -30.823 699 HD3 LYS 89 2HD LYS 89 -9.521 -23.069 -31.768 700 HE2 LYS 89 1HE LYS 89 -6.469 -23.125 -31.872 701 HE3 LYS 89 2HE LYS 89 -7.451 -24.201 -30.879 702 HZ1 LYS 89 3HZ LYS 89 -8.471 -25.073 -32.914 703 HZ2 LYS 89 1HZ LYS 89 -6.853 -25.267 -32.971 704 HZ3 LYS 89 2HZ LYS 89 -7.560 -24.089 -33.850 705 H LYS 90 H LYS 90 -8.028 -20.036 -35.843 706 HA LYS 90 HA LYS 90 -10.198 -20.228 -37.794 707 HB2 LYS 90 1HB LYS 90 -8.496 -20.680 -39.435 708 HB3 LYS 90 2HB LYS 90 -8.027 -19.305 -38.441 709 HG2 LYS 90 1HG LYS 90 -6.433 -20.698 -37.184 710 HG3 LYS 90 2HG LYS 90 -6.979 -22.146 -38.052 711 HD2 LYS 90 1HD LYS 90 -6.194 -21.185 -40.193 712 HD3 LYS 90 2HD LYS 90 -5.697 -19.710 -39.358 713 HE2 LYS 90 1HE LYS 90 -3.772 -21.119 -39.813 714 HE3 LYS 90 2HE LYS 90 -4.009 -20.950 -38.070 715 HZ1 LYS 90 3HZ LYS 90 -3.540 -23.273 -38.877 716 HZ2 LYS 90 1HZ LYS 90 -5.009 -23.294 -39.612 717 HZ3 LYS 90 2HZ LYS 90 -4.906 -23.160 -37.992 718 H ILE 91 H ILE 91 -10.748 -21.996 -39.064 719 HA ILE 91 HA ILE 91 -10.559 -24.632 -37.725 720 HB ILE 91 HB ILE 91 -12.769 -23.526 -38.084 721 HG12 ILE 91 1HG1 ILE 91 -14.040 -25.410 -38.876 722 HG13 ILE 91 2HG1 ILE 91 -12.620 -26.165 -39.584 723 HG21 ILE 91 1HG2 ILE 91 -13.795 -23.471 -40.302 724 HG22 ILE 91 2HG2 ILE 91 -12.335 -22.483 -40.295 725 HG23 ILE 91 3HG2 ILE 91 -12.313 -24.094 -41.047 726 HD11 ILE 91 3HD1 ILE 91 -11.657 -26.521 -37.345 727 HD12 ILE 91 1HD1 ILE 91 -12.993 -25.604 -36.604 728 HD13 ILE 91 2HD1 ILE 91 -13.306 -27.159 -37.399 729 H LYS 92 H LYS 92 -9.045 -23.079 -40.195 730 HA LYS 92 HA LYS 92 -8.809 -25.356 -42.082 731 HB2 LYS 92 1HB LYS 92 -7.862 -22.469 -42.263 732 HB3 LYS 92 2HB LYS 92 -7.623 -23.706 -43.503 733 HG2 LYS 92 1HG LYS 92 -10.085 -23.967 -43.743 734 HG3 LYS 92 2HG LYS 92 -10.342 -22.753 -42.486 735 HD2 LYS 92 1HD LYS 92 -10.677 -21.713 -44.618 736 HD3 LYS 92 2HD LYS 92 -9.209 -21.046 -43.890 737 HE2 LYS 92 1HE LYS 92 -7.823 -22.537 -45.317 738 HE3 LYS 92 2HE LYS 92 -9.288 -23.253 -46.003 739 HZ1 LYS 92 3HZ LYS 92 -8.500 -20.399 -46.274 740 HZ2 LYS 92 1HZ LYS 92 -9.851 -21.062 -46.912 741 HZ3 LYS 92 2HZ LYS 92 -8.383 -21.526 -47.448 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -21.304 16.439 -5.911 2 H2 GLY 1 2H GLY 1 -21.333 17.490 -4.656 3 H3 GLY 1 3H GLY 1 -22.392 17.666 -5.894 4 HA2 GLY 1 1HA GLY 1 -23.515 16.735 -3.985 5 HA3 GLY 1 2HA GLY 1 -23.494 15.605 -5.351 6 H SER 2 H SER 2 -23.835 14.899 -2.634 7 HA SER 2 HA SER 2 -23.237 13.465 -1.025 8 HB2 SER 2 1HB SER 2 -21.226 12.347 -2.994 9 HB3 SER 2 2HB SER 2 -21.790 11.569 -1.510 10 HG SER 2 HG SER 2 -22.947 10.858 -3.372 11 H SER 3 H SER 3 -21.623 12.710 0.552 12 HA SER 3 HA SER 3 -20.073 14.924 1.516 13 HB2 SER 3 1HB SER 3 -20.108 12.035 2.465 14 HB3 SER 3 2HB SER 3 -19.476 13.432 3.360 15 HG SER 3 HG SER 3 -21.631 12.894 3.979 16 H GLY 4 H GLY 4 -17.887 15.258 1.687 17 HA2 GLY 4 1HA GLY 4 -16.060 13.923 -0.161 18 HA3 GLY 4 2HA GLY 4 -15.673 15.223 0.959 19 H SER 5 H SER 5 -14.034 12.954 0.450 20 HA SER 5 HA SER 5 -14.207 11.001 2.571 21 HB2 SER 5 1HB SER 5 -11.802 11.804 0.896 22 HB3 SER 5 2HB SER 5 -11.975 10.317 1.841 23 HG SER 5 HG SER 5 -13.706 9.711 0.472 24 H SER 6 H SER 6 -13.067 10.809 4.489 25 HA SER 6 HA SER 6 -12.271 13.251 5.831 26 HB2 SER 6 1HB SER 6 -12.043 10.359 6.737 27 HB3 SER 6 2HB SER 6 -11.852 11.798 7.757 28 HG SER 6 HG SER 6 -13.976 10.921 7.882 29 H GLY 7 H GLY 7 -10.282 13.945 6.500 30 HA2 GLY 7 1HA GLY 7 -7.996 14.132 6.730 31 HA3 GLY 7 2HA GLY 7 -7.858 12.404 6.434 32 H LYS 8 H LYS 8 -5.836 13.260 5.455 33 HA LYS 8 HA LYS 8 -5.951 14.504 2.801 34 HB2 LYS 8 1HB LYS 8 -4.127 14.933 4.415 35 HB3 LYS 8 2HB LYS 8 -3.636 13.238 4.338 36 HG2 LYS 8 1HG LYS 8 -3.017 13.456 1.992 37 HG3 LYS 8 2HG LYS 8 -3.670 15.099 1.916 38 HD2 LYS 8 1HD LYS 8 -1.332 14.238 3.679 39 HD3 LYS 8 2HD LYS 8 -1.172 14.949 2.068 40 HE2 LYS 8 1HE LYS 8 -2.389 16.982 2.848 41 HE3 LYS 8 2HE LYS 8 -2.487 16.292 4.474 42 HZ1 LYS 8 3HZ LYS 8 0.041 16.933 3.048 43 HZ2 LYS 8 1HZ LYS 8 -0.049 16.292 4.550 44 HZ3 LYS 8 2HZ LYS 8 -0.600 17.803 4.269 45 H ILE 9 H ILE 9 -5.309 13.570 0.865 46 HA ILE 9 HA ILE 9 -5.817 10.630 0.611 47 HB ILE 9 HB ILE 9 -6.500 12.842 -1.358 48 HG12 ILE 9 1HG1 ILE 9 -8.364 11.142 0.376 49 HG13 ILE 9 2HG1 ILE 9 -7.964 12.827 0.699 50 HG21 ILE 9 1HG2 ILE 9 -7.656 11.038 -2.609 51 HG22 ILE 9 2HG2 ILE 9 -5.935 10.758 -2.502 52 HG23 ILE 9 3HG2 ILE 9 -7.041 9.849 -1.439 53 HD11 ILE 9 3HD1 ILE 9 -9.544 11.804 -1.668 54 HD12 ILE 9 1HD1 ILE 9 -10.079 12.838 -0.334 55 HD13 ILE 9 2HD1 ILE 9 -8.922 13.471 -1.518 56 H PHE 10 H PHE 10 -4.445 9.431 -0.608 57 HA PHE 10 HA PHE 10 -1.927 10.746 -1.568 58 HB2 PHE 10 1HB PHE 10 -2.289 8.116 -0.083 59 HB3 PHE 10 2HB PHE 10 -0.767 8.784 -0.647 60 HD1 PHE 10 1HD PHE 10 -3.449 9.090 1.878 61 HD2 PHE 10 2HD PHE 10 0.295 10.703 0.471 62 HE1 PHE 10 1HE PHE 10 -3.200 10.357 3.999 63 HE2 PHE 10 2HE PHE 10 0.543 11.968 2.594 64 HZ PHE 10 HZ PHE 10 -1.192 11.786 4.365 65 H THR 11 H THR 11 -1.206 10.170 -3.594 66 HA THR 11 HA THR 11 -2.731 8.052 -5.057 67 HB THR 11 HB THR 11 -1.949 10.786 -6.109 68 HG1 THR 11 1HG THR 11 -4.123 11.262 -5.895 69 HG21 THR 11 3HG2 THR 11 -3.580 10.240 -7.902 70 HG22 THR 11 1HG2 THR 11 -3.778 8.614 -7.216 71 HG23 THR 11 2HG2 THR 11 -2.214 9.120 -7.897 72 H CYS 12 H CYS 12 -1.655 6.734 -6.378 73 HA CYS 12 HA CYS 12 1.249 6.665 -6.396 74 HB2 CYS 12 1HB CYS 12 -0.108 4.676 -6.206 75 HB3 CYS 12 2HB CYS 12 -0.898 5.014 -7.764 76 H GLU 13 H GLU 13 2.640 7.278 -7.914 77 HA GLU 13 HA GLU 13 1.691 8.918 -10.164 78 HB2 GLU 13 1HB GLU 13 3.962 9.617 -10.417 79 HB3 GLU 13 2HB GLU 13 3.507 9.708 -8.718 80 HG2 GLU 13 1HG GLU 13 4.702 7.545 -8.302 81 HG3 GLU 13 2HG GLU 13 5.182 7.504 -10.003 82 H TYR 14 H TYR 14 2.379 5.623 -9.807 83 HA TYR 14 HA TYR 14 3.366 5.297 -12.608 84 HB2 TYR 14 1HB TYR 14 3.279 3.388 -10.274 85 HB3 TYR 14 2HB TYR 14 3.917 3.008 -11.861 86 HD1 TYR 14 2HD TYR 14 5.981 4.177 -12.713 87 HD2 TYR 14 1HD TYR 14 4.616 4.541 -8.637 88 HE1 TYR 14 2HE TYR 14 8.262 4.900 -12.010 89 HE2 TYR 14 1HE TYR 14 6.903 5.246 -7.935 90 HH TYR 14 HH TYR 14 9.054 5.685 -8.604 91 H CYS 15 H CYS 15 0.609 4.381 -10.544 92 HA CYS 15 HA CYS 15 -0.767 3.310 -12.957 93 HB2 CYS 15 1HB CYS 15 -1.636 1.441 -11.760 94 HB3 CYS 15 2HB CYS 15 0.126 1.430 -11.710 95 H ASN 16 H ASN 16 -0.939 5.737 -10.825 96 HA ASN 16 HA ASN 16 -2.476 7.172 -10.108 97 HB2 ASN 16 1HB ASN 16 -2.791 7.147 -12.629 98 HB3 ASN 16 2HB ASN 16 -4.244 6.188 -12.354 99 HD21 ASN 16 1HD2 ASN 16 -5.537 7.880 -13.300 100 HD22 ASN 16 2HD2 ASN 16 -5.825 9.375 -12.421 101 H LYS 17 H LYS 17 -2.729 4.348 -8.984 102 HA LYS 17 HA LYS 17 -5.448 4.177 -7.965 103 HB2 LYS 17 1HB LYS 17 -2.802 3.031 -7.009 104 HB3 LYS 17 2HB LYS 17 -4.336 2.750 -6.167 105 HG2 LYS 17 1HG LYS 17 -5.294 1.729 -8.207 106 HG3 LYS 17 2HG LYS 17 -3.758 2.003 -9.046 107 HD2 LYS 17 1HD LYS 17 -2.684 0.684 -7.063 108 HD3 LYS 17 2HD LYS 17 -4.323 0.162 -6.677 109 HE2 LYS 17 1HE LYS 17 -2.841 -0.248 -9.313 110 HE3 LYS 17 2HE LYS 17 -3.022 -1.459 -8.039 111 HZ1 LYS 17 3HZ LYS 17 -4.673 -1.787 -9.783 112 HZ2 LYS 17 1HZ LYS 17 -5.263 -0.278 -9.598 113 HZ3 LYS 17 2HZ LYS 17 -5.440 -1.379 -8.400 114 H VAL 18 H VAL 18 -6.151 4.589 -5.908 115 HA VAL 18 HA VAL 18 -4.877 6.929 -4.533 116 HB VAL 18 HB VAL 18 -7.850 6.470 -4.954 117 HG11 VAL 18 1HG1 VAL 18 -8.028 8.807 -4.066 118 HG12 VAL 18 2HG1 VAL 18 -7.418 7.681 -2.856 119 HG13 VAL 18 3HG1 VAL 18 -6.292 8.770 -3.701 120 HG21 VAL 18 3HG2 VAL 18 -7.729 8.491 -6.386 121 HG22 VAL 18 1HG2 VAL 18 -5.963 8.518 -6.203 122 HG23 VAL 18 2HG2 VAL 18 -6.761 7.182 -7.064 123 H PHE 19 H PHE 19 -4.745 6.936 -2.396 124 HA PHE 19 HA PHE 19 -5.728 4.613 -0.806 125 HB2 PHE 19 1HB PHE 19 -2.948 5.849 -0.758 126 HB3 PHE 19 2HB PHE 19 -3.512 4.522 0.246 127 HD1 PHE 19 1HD PHE 19 -2.426 5.517 -3.139 128 HD2 PHE 19 2HD PHE 19 -3.817 2.249 -0.697 129 HE1 PHE 19 1HE PHE 19 -1.840 3.920 -4.943 130 HE2 PHE 19 2HE PHE 19 -3.234 0.651 -2.509 131 HZ PHE 19 HZ PHE 19 -2.288 1.484 -4.656 132 H LYS 20 H LYS 20 -6.160 4.976 1.337 133 HA LYS 20 HA LYS 20 -6.969 7.678 2.073 134 HB2 LYS 20 1HB LYS 20 -8.248 5.550 2.437 135 HB3 LYS 20 2HB LYS 20 -7.099 5.121 3.709 136 HG2 LYS 20 1HG LYS 20 -7.722 7.135 4.984 137 HG3 LYS 20 2HG LYS 20 -8.782 7.680 3.675 138 HD2 LYS 20 1HD LYS 20 -9.136 5.104 5.261 139 HD3 LYS 20 2HD LYS 20 -9.949 6.636 5.620 140 HE2 LYS 20 1HE LYS 20 -11.003 6.607 3.365 141 HE3 LYS 20 2HE LYS 20 -10.233 5.053 3.027 142 HZ1 LYS 20 3HZ LYS 20 -12.189 5.537 5.211 143 HZ2 LYS 20 1HZ LYS 20 -11.473 4.101 4.898 144 HZ3 LYS 20 2HZ LYS 20 -12.505 4.752 3.817 145 H PHE 21 H PHE 21 -4.124 5.815 2.727 146 HA PHE 21 HA PHE 21 -3.207 7.800 4.755 147 HB2 PHE 21 1HB PHE 21 -2.900 4.791 4.999 148 HB3 PHE 21 2HB PHE 21 -2.339 6.004 6.137 149 HD1 PHE 21 2HD PHE 21 -4.149 7.545 7.242 150 HD2 PHE 21 1HD PHE 21 -5.038 3.805 5.288 151 HE1 PHE 21 2HE PHE 21 -6.307 7.416 8.466 152 HE2 PHE 21 1HE PHE 21 -7.189 3.673 6.522 153 HZ PHE 21 HZ PHE 21 -7.829 5.480 8.108 154 H LYS 22 H LYS 22 -0.991 8.092 4.954 155 HA LYS 22 HA LYS 22 0.490 7.999 2.536 156 HB2 LYS 22 1HB LYS 22 0.697 9.623 4.497 157 HB3 LYS 22 2HB LYS 22 1.643 8.390 5.333 158 HG2 LYS 22 1HG LYS 22 3.302 8.412 3.476 159 HG3 LYS 22 2HG LYS 22 2.307 9.595 2.603 160 HD2 LYS 22 1HD LYS 22 2.590 11.195 4.510 161 HD3 LYS 22 2HD LYS 22 3.647 10.014 5.315 162 HE2 LYS 22 1HE LYS 22 5.169 10.066 3.333 163 HE3 LYS 22 2HE LYS 22 4.118 11.269 2.572 164 HZ1 LYS 22 3HZ LYS 22 5.995 12.321 3.701 165 HZ2 LYS 22 1HZ LYS 22 5.579 11.661 5.132 166 HZ3 LYS 22 2HZ LYS 22 4.608 12.772 4.431 167 H HIS 23 H HIS 23 0.766 5.913 5.428 168 HA HIS 23 HA HIS 23 3.004 4.400 4.516 169 HB2 HIS 23 1HB HIS 23 2.424 2.798 6.227 170 HB3 HIS 23 2HB HIS 23 2.289 4.436 6.848 171 HD1 HIS 23 1HD HIS 23 0.049 1.428 5.923 172 HD2 HIS 23 2HD HIS 23 -0.134 5.258 7.651 173 HE1 HIS 23 1HE HIS 23 -2.267 1.634 6.958 174 H SER 24 H SER 24 -0.497 3.911 3.949 175 HA SER 24 HA SER 24 -0.313 1.426 2.577 176 HB2 SER 24 1HB SER 24 -2.315 3.669 2.132 177 HB3 SER 24 2HB SER 24 -2.484 1.984 1.609 178 HG SER 24 HG SER 24 -3.550 2.236 3.569 179 H LEU 25 H LEU 25 -0.114 4.789 1.249 180 HA LEU 25 HA LEU 25 0.415 3.887 -1.437 181 HB2 LEU 25 1HB LEU 25 -0.386 6.145 -1.038 182 HB3 LEU 25 2HB LEU 25 1.039 6.523 -0.062 183 HG LEU 25 HG LEU 25 2.498 6.231 -2.055 184 HD11 LEU 25 1HD1 LEU 25 1.532 6.086 -4.300 185 HD12 LEU 25 2HD1 LEU 25 -0.101 5.928 -3.624 186 HD13 LEU 25 3HD1 LEU 25 1.106 4.646 -3.384 187 HD21 LEU 25 3HD2 LEU 25 1.591 8.460 -1.505 188 HD22 LEU 25 1HD2 LEU 25 0.223 8.141 -2.603 189 HD23 LEU 25 2HD2 LEU 25 1.871 8.236 -3.242 190 H GLN 26 H GLN 26 2.656 4.839 1.243 191 HA GLN 26 HA GLN 26 5.055 4.553 -0.231 192 HB2 GLN 26 1HB GLN 26 4.401 4.229 2.719 193 HB3 GLN 26 2HB GLN 26 6.040 4.045 2.124 194 HG2 GLN 26 1HG GLN 26 4.356 6.561 1.705 195 HG3 GLN 26 2HG GLN 26 5.512 6.336 3.016 196 HE21 GLN 26 1HE2 GLN 26 7.862 5.972 2.370 197 HE22 GLN 26 2HE2 GLN 26 8.392 6.720 0.872 198 H ALA 27 H ALA 27 3.275 2.012 1.573 199 HA ALA 27 HA ALA 27 5.166 -0.075 0.909 200 HB1 ALA 27 1HB ALA 27 2.252 -0.194 1.778 201 HB2 ALA 27 2HB ALA 27 3.413 -1.542 1.790 202 HB3 ALA 27 3HB ALA 27 3.671 -0.141 2.854 203 H HIS 28 H HIS 28 2.204 1.158 -0.698 204 HA HIS 28 HA HIS 28 2.026 -0.900 -2.696 205 HB2 HIS 28 1HB HIS 28 0.127 0.509 -2.285 206 HB3 HIS 28 2HB HIS 28 1.053 1.977 -2.587 207 HD1 HIS 28 1HD HIS 28 -0.314 -1.037 -4.571 208 HD2 HIS 28 2HD HIS 28 1.330 2.799 -5.071 209 HE1 HIS 28 1HE HIS 28 -0.464 -0.541 -7.050 210 H LEU 29 H LEU 29 3.724 2.276 -2.715 211 HA LEU 29 HA LEU 29 4.537 2.251 -5.405 212 HB2 LEU 29 1HB LEU 29 5.772 3.470 -2.914 213 HB3 LEU 29 2HB LEU 29 6.449 3.751 -4.514 214 HG LEU 29 HG LEU 29 3.568 4.435 -3.802 215 HD11 LEU 29 1HD1 LEU 29 5.133 5.762 -2.439 216 HD12 LEU 29 2HD1 LEU 29 4.360 6.769 -3.672 217 HD13 LEU 29 3HD1 LEU 29 6.034 6.221 -3.901 218 HD21 LEU 29 3HD2 LEU 29 3.911 4.182 -6.217 219 HD22 LEU 29 1HD2 LEU 29 5.326 5.259 -6.141 220 HD23 LEU 29 2HD2 LEU 29 3.697 5.878 -5.801 221 H ARG 30 H ARG 30 5.877 0.299 -2.827 222 HA ARG 30 HA ARG 30 8.448 -0.224 -4.003 223 HB2 ARG 30 1HB ARG 30 6.852 -2.019 -2.139 224 HB3 ARG 30 2HB ARG 30 8.576 -2.113 -2.508 225 HG2 ARG 30 1HG ARG 30 8.560 0.445 -1.681 226 HG3 ARG 30 2HG ARG 30 7.080 -0.072 -0.866 227 HD2 ARG 30 1HD ARG 30 8.864 -0.324 0.689 228 HD3 ARG 30 2HD ARG 30 8.415 -1.963 0.174 229 HE ARG 30 HE ARG 30 10.481 -1.004 -1.554 230 HH11 ARG 30 2HH1 ARG 30 10.253 -1.948 1.821 231 HH12 ARG 30 1HH1 ARG 30 11.947 -2.351 1.898 232 HH21 ARG 30 2HH2 ARG 30 12.540 -1.506 -1.400 233 HH22 ARG 30 1HH2 ARG 30 13.237 -2.107 0.091 234 H ILE 31 H ILE 31 5.318 -1.482 -4.983 235 HA ILE 31 HA ILE 31 6.395 -3.751 -6.437 236 HB ILE 31 HB ILE 31 4.341 -4.013 -7.427 237 HG12 ILE 31 1HG1 ILE 31 3.751 -1.111 -6.840 238 HG13 ILE 31 2HG1 ILE 31 3.800 -1.952 -8.382 239 HG21 ILE 31 1HG2 ILE 31 2.865 -4.226 -5.537 240 HG22 ILE 31 2HG2 ILE 31 4.519 -4.476 -4.969 241 HG23 ILE 31 3HG2 ILE 31 3.692 -2.932 -4.662 242 HD11 ILE 31 3HD1 ILE 31 1.520 -1.556 -7.884 243 HD12 ILE 31 1HD1 ILE 31 1.806 -3.288 -7.661 244 HD13 ILE 31 2HD1 ILE 31 1.682 -2.228 -6.241 245 H HIS 32 H HIS 32 6.207 -0.348 -7.088 246 HA HIS 32 HA HIS 32 6.849 -0.654 -9.972 247 HB2 HIS 32 1HB HIS 32 6.287 1.862 -8.368 248 HB3 HIS 32 2HB HIS 32 6.379 1.709 -10.115 249 HD1 HIS 32 1HD HIS 32 4.284 -0.062 -11.116 250 HD2 HIS 32 2HD HIS 32 3.909 2.008 -7.488 251 HE1 HIS 32 1HE HIS 32 1.788 0.145 -10.694 252 H THR 33 H THR 33 8.191 0.882 -7.005 253 HA THR 33 HA THR 33 10.520 1.820 -8.509 254 HB THR 33 HB THR 33 9.204 3.178 -6.847 255 HG1 THR 33 1HG THR 33 12.020 2.980 -6.642 256 HG21 THR 33 3HG2 THR 33 9.206 1.607 -4.927 257 HG22 THR 33 1HG2 THR 33 9.903 3.180 -4.528 258 HG23 THR 33 2HG2 THR 33 10.967 1.782 -4.786 259 H ASN 34 H ASN 34 9.983 -1.092 -6.870 260 HA ASN 34 HA ASN 34 12.924 -1.587 -6.839 261 HB2 ASN 34 1HB ASN 34 10.930 -2.714 -4.830 262 HB3 ASN 34 2HB ASN 34 12.642 -3.112 -4.935 263 HD21 ASN 34 1HD2 ASN 34 13.999 -0.766 -5.017 264 HD22 ASN 34 2HD2 ASN 34 13.583 0.199 -3.616 265 H GLU 35 H GLU 35 13.612 -3.482 -7.705 266 HA GLU 35 HA GLU 35 11.864 -4.967 -9.450 267 HB2 GLU 35 1HB GLU 35 14.658 -5.768 -8.545 268 HB3 GLU 35 2HB GLU 35 13.778 -6.294 -9.973 269 HG2 GLU 35 1HG GLU 35 15.069 -4.761 -10.999 270 HG3 GLU 35 2HG GLU 35 13.797 -3.651 -10.518 271 H LYS 36 H LYS 36 10.686 -6.764 -9.086 272 HA LYS 36 HA LYS 36 11.180 -8.465 -6.688 273 HB2 LYS 36 1HB LYS 36 8.563 -7.107 -7.427 274 HB3 LYS 36 2HB LYS 36 8.682 -8.459 -6.294 275 HG2 LYS 36 1HG LYS 36 10.251 -7.122 -4.887 276 HG3 LYS 36 2HG LYS 36 10.030 -5.743 -5.982 277 HD2 LYS 36 1HD LYS 36 7.584 -5.780 -5.506 278 HD3 LYS 36 2HD LYS 36 7.846 -7.061 -4.318 279 HE2 LYS 36 1HE LYS 36 9.112 -4.285 -4.240 280 HE3 LYS 36 2HE LYS 36 7.662 -4.751 -3.348 281 HZ1 LYS 36 3HZ LYS 36 9.000 -6.402 -2.146 282 HZ2 LYS 36 1HZ LYS 36 9.625 -4.914 -1.940 283 HZ3 LYS 36 2HZ LYS 36 10.353 -5.959 -2.956 284 HA PRO 37 HA PRO 37 10.682 -11.528 -9.838 285 HB2 PRO 37 1HB PRO 37 10.565 -13.836 -8.335 286 HB3 PRO 37 2HB PRO 37 12.044 -12.869 -8.598 287 HG2 PRO 37 1HG PRO 37 10.157 -12.763 -6.226 288 HG3 PRO 37 2HG PRO 37 11.945 -12.884 -6.213 289 HD2 PRO 37 1HD PRO 37 10.694 -10.497 -5.905 290 HD3 PRO 37 2HD PRO 37 12.183 -10.627 -6.881 291 H TYR 38 H TYR 38 8.290 -11.896 -7.140 292 HA TYR 38 HA TYR 38 6.586 -13.527 -8.895 293 HB2 TYR 38 1HB TYR 38 6.281 -12.824 -5.964 294 HB3 TYR 38 2HB TYR 38 5.322 -13.988 -6.859 295 HD1 TYR 38 1HD TYR 38 6.656 -15.880 -8.130 296 HD2 TYR 38 2HD TYR 38 8.197 -13.579 -4.837 297 HE1 TYR 38 1HE TYR 38 8.352 -17.655 -7.685 298 HE2 TYR 38 2HE TYR 38 9.922 -15.332 -4.405 299 HH TYR 38 HH TYR 38 10.152 -18.298 -6.411 300 H LYS 39 H LYS 39 5.934 -11.999 -10.406 301 HA LYS 39 HA LYS 39 4.184 -9.738 -9.675 302 HB2 LYS 39 1HB LYS 39 5.075 -10.970 -12.294 303 HB3 LYS 39 2HB LYS 39 3.640 -9.965 -12.240 304 HG2 LYS 39 1HG LYS 39 5.363 -8.535 -12.889 305 HG3 LYS 39 2HG LYS 39 4.902 -8.099 -11.256 306 HD2 LYS 39 1HD LYS 39 7.292 -7.940 -11.504 307 HD3 LYS 39 2HD LYS 39 6.949 -9.270 -10.393 308 HE2 LYS 39 1HE LYS 39 7.414 -10.924 -12.074 309 HE3 LYS 39 2HE LYS 39 7.373 -9.727 -13.377 310 HZ1 LYS 39 3HZ LYS 39 9.657 -10.405 -12.649 311 HZ2 LYS 39 1HZ LYS 39 9.390 -9.650 -11.208 312 HZ3 LYS 39 2HZ LYS 39 9.407 -8.790 -12.594 313 H CYS 40 H CYS 40 2.029 -9.577 -9.833 314 HA CYS 40 HA CYS 40 0.344 -11.914 -9.633 315 HB2 CYS 40 1HB CYS 40 -0.068 -9.896 -8.404 316 HB3 CYS 40 2HB CYS 40 -0.175 -8.941 -9.898 317 HA PRO 41 HA PRO 41 -0.452 -12.167 -14.100 318 HB2 PRO 41 1HB PRO 41 -2.391 -14.075 -14.124 319 HB3 PRO 41 2HB PRO 41 -0.687 -14.443 -13.725 320 HG2 PRO 41 1HG PRO 41 -2.982 -13.958 -11.802 321 HG3 PRO 41 2HG PRO 41 -1.782 -15.284 -11.781 322 HD2 PRO 41 1HD PRO 41 -1.534 -13.000 -10.264 323 HD3 PRO 41 2HD PRO 41 -0.117 -13.887 -10.901 324 H GLN 42 H GLN 42 -2.582 -10.895 -11.702 325 HA GLN 42 HA GLN 42 -4.640 -10.133 -13.740 326 HB2 GLN 42 1HB GLN 42 -4.854 -10.476 -10.739 327 HB3 GLN 42 2HB GLN 42 -6.153 -9.895 -11.768 328 HG2 GLN 42 1HG GLN 42 -4.844 -12.642 -11.983 329 HG3 GLN 42 2HG GLN 42 -6.344 -12.299 -11.150 330 HE21 GLN 42 1HE2 GLN 42 -6.370 -14.233 -13.119 331 HE22 GLN 42 2HE2 GLN 42 -7.242 -13.611 -14.512 332 H CYS 43 H CYS 43 -2.398 -8.668 -11.332 333 HA CYS 43 HA CYS 43 -3.172 -6.031 -12.434 334 HB2 CYS 43 1HB CYS 43 -3.547 -5.053 -10.279 335 HB3 CYS 43 2HB CYS 43 -4.622 -6.428 -10.479 336 H SER 44 H SER 44 -1.712 -4.355 -10.936 337 HA SER 44 HA SER 44 0.947 -4.736 -12.011 338 HB2 SER 44 1HB SER 44 1.348 -2.486 -11.009 339 HB3 SER 44 2HB SER 44 -0.064 -2.565 -12.078 340 HG SER 44 HG SER 44 -0.584 -1.452 -10.178 341 H TYR 45 H TYR 45 -0.380 -5.846 -9.117 342 HA TYR 45 HA TYR 45 1.543 -5.429 -7.136 343 HB2 TYR 45 1HB TYR 45 -0.648 -6.373 -6.755 344 HB3 TYR 45 2HB TYR 45 -0.273 -7.778 -7.738 345 HD1 TYR 45 1HD TYR 45 1.337 -9.536 -6.837 346 HD2 TYR 45 2HD TYR 45 0.097 -6.150 -4.462 347 HE1 TYR 45 1HE TYR 45 2.081 -10.710 -4.785 348 HE2 TYR 45 2HE TYR 45 0.857 -7.333 -2.403 349 HH TYR 45 HH TYR 45 2.242 -10.632 -2.501 350 H ALA 46 H ALA 46 3.377 -6.350 -6.497 351 HA ALA 46 HA ALA 46 4.292 -8.876 -7.603 352 HB1 ALA 46 1HB ALA 46 6.088 -6.423 -7.784 353 HB2 ALA 46 2HB ALA 46 6.522 -8.095 -8.222 354 HB3 ALA 46 3HB ALA 46 5.298 -7.226 -9.157 355 H SER 47 H SER 47 5.724 -10.010 -6.254 356 HA SER 47 HA SER 47 6.443 -8.775 -3.628 357 HB2 SER 47 1HB SER 47 4.351 -10.198 -3.488 358 HB3 SER 47 2HB SER 47 5.366 -11.594 -3.903 359 HG SER 47 HG SER 47 5.451 -9.909 -1.622 360 H ALA 48 H ALA 48 8.084 -9.860 -2.447 361 HA ALA 48 HA ALA 48 10.175 -11.199 -4.067 362 HB1 ALA 48 1HB ALA 48 10.815 -9.298 -2.637 363 HB2 ALA 48 2HB ALA 48 10.196 -10.161 -1.206 364 HB3 ALA 48 3HB ALA 48 11.587 -10.803 -2.105 365 H ILE 49 H ILE 49 7.473 -12.146 -2.267 366 HA ILE 49 HA ILE 49 8.662 -14.813 -1.599 367 HB ILE 49 HB ILE 49 6.656 -13.210 0.020 368 HG12 ILE 49 1HG1 ILE 49 9.598 -13.832 0.512 369 HG13 ILE 49 2HG1 ILE 49 8.875 -12.245 0.240 370 HG21 ILE 49 1HG2 ILE 49 6.804 -15.026 1.669 371 HG22 ILE 49 2HG2 ILE 49 6.257 -15.662 0.141 372 HG23 ILE 49 3HG2 ILE 49 7.949 -15.907 0.632 373 HD11 ILE 49 3HD1 ILE 49 8.538 -13.977 2.705 374 HD12 ILE 49 1HD1 ILE 49 9.357 -12.417 2.561 375 HD13 ILE 49 2HD1 ILE 49 7.593 -12.498 2.383 376 H LYS 50 H LYS 50 7.701 -16.463 -2.561 377 HA LYS 50 HA LYS 50 5.485 -16.148 -4.341 378 HB2 LYS 50 1HB LYS 50 7.447 -17.828 -4.385 379 HB3 LYS 50 2HB LYS 50 6.507 -18.801 -3.253 380 HG2 LYS 50 1HG LYS 50 4.649 -18.899 -4.919 381 HG3 LYS 50 2HG LYS 50 5.590 -17.882 -6.023 382 HD2 LYS 50 1HD LYS 50 7.368 -19.627 -6.095 383 HD3 LYS 50 2HD LYS 50 6.400 -20.647 -5.010 384 HE2 LYS 50 1HE LYS 50 4.560 -20.667 -6.686 385 HE3 LYS 50 2HE LYS 50 5.528 -19.653 -7.764 386 HZ1 LYS 50 3HZ LYS 50 6.277 -22.390 -6.871 387 HZ2 LYS 50 1HZ LYS 50 7.173 -21.453 -7.868 388 HZ3 LYS 50 2HZ LYS 50 5.716 -22.002 -8.353 389 H ALA 51 H ALA 51 5.626 -17.396 -1.030 390 HA ALA 51 HA ALA 51 2.931 -18.287 -0.807 391 HB1 ALA 51 1HB ALA 51 4.782 -17.159 1.339 392 HB2 ALA 51 2HB ALA 51 3.333 -18.145 1.606 393 HB3 ALA 51 3HB ALA 51 4.736 -18.850 0.782 394 H ASN 52 H ASN 52 4.293 -14.982 -0.566 395 HA ASN 52 HA ASN 52 1.856 -13.795 0.490 396 HB2 ASN 52 1HB ASN 52 4.318 -12.599 -0.851 397 HB3 ASN 52 2HB ASN 52 2.971 -11.648 -0.249 398 HD21 ASN 52 1HD2 ASN 52 5.175 -10.868 0.826 399 HD22 ASN 52 2HD2 ASN 52 5.361 -11.489 2.461 400 H LEU 53 H LEU 53 3.179 -14.200 -2.850 401 HA LEU 53 HA LEU 53 0.961 -12.962 -4.161 402 HB2 LEU 53 1HB LEU 53 3.058 -13.422 -5.305 403 HB3 LEU 53 2HB LEU 53 2.862 -15.158 -5.058 404 HG LEU 53 HG LEU 53 0.890 -15.187 -6.535 405 HD11 LEU 53 1HD1 LEU 53 0.289 -13.238 -7.891 406 HD12 LEU 53 2HD1 LEU 53 1.466 -12.229 -7.013 407 HD13 LEU 53 3HD1 LEU 53 0.031 -12.884 -6.188 408 HD21 LEU 53 3HD2 LEU 53 3.229 -13.752 -7.834 409 HD22 LEU 53 1HD2 LEU 53 2.036 -14.790 -8.636 410 HD23 LEU 53 2HD2 LEU 53 3.171 -15.495 -7.469 411 H ASN 54 H ASN 54 1.427 -16.307 -2.988 412 HA ASN 54 HA ASN 54 -1.114 -17.293 -3.940 413 HB2 ASN 54 1HB ASN 54 0.944 -18.296 -1.966 414 HB3 ASN 54 2HB ASN 54 -0.624 -19.079 -2.096 415 HD21 ASN 54 1HD2 ASN 54 2.287 -18.230 -4.021 416 HD22 ASN 54 2HD2 ASN 54 1.974 -19.478 -5.227 417 H VAL 55 H VAL 55 -0.502 -15.128 -1.348 418 HA VAL 55 HA VAL 55 -3.233 -15.570 -0.219 419 HB VAL 55 HB VAL 55 -0.961 -13.789 0.696 420 HG11 VAL 55 1HG1 VAL 55 -2.388 -13.334 2.687 421 HG12 VAL 55 2HG1 VAL 55 -3.063 -12.640 1.214 422 HG13 VAL 55 3HG1 VAL 55 -3.750 -14.141 1.878 423 HG21 VAL 55 3HG2 VAL 55 -0.958 -15.258 2.666 424 HG22 VAL 55 1HG2 VAL 55 -2.300 -16.207 1.994 425 HG23 VAL 55 2HG2 VAL 55 -0.711 -16.224 1.210 426 H HIS 56 H HIS 56 -1.317 -13.151 -2.033 427 HA HIS 56 HA HIS 56 -3.362 -11.179 -2.273 428 HB2 HIS 56 1HB HIS 56 -1.012 -10.725 -2.723 429 HB3 HIS 56 2HB HIS 56 -0.987 -11.915 -4.029 430 HD1 HIS 56 1HD HIS 56 -2.592 -8.479 -3.283 431 HD2 HIS 56 2HD HIS 56 -1.746 -11.157 -6.410 432 HE1 HIS 56 1HE HIS 56 -3.305 -7.299 -5.408 433 H LEU 57 H LEU 57 -2.701 -13.986 -4.420 434 HA LEU 57 HA LEU 57 -4.613 -13.405 -6.442 435 HB2 LEU 57 1HB LEU 57 -3.586 -15.969 -5.242 436 HB3 LEU 57 2HB LEU 57 -4.631 -15.973 -6.658 437 HG LEU 57 HG LEU 57 -1.990 -14.448 -6.628 438 HD11 LEU 57 1HD1 LEU 57 -2.560 -17.287 -7.555 439 HD12 LEU 57 2HD1 LEU 57 -1.589 -16.818 -6.141 440 HD13 LEU 57 3HD1 LEU 57 -1.029 -16.395 -7.772 441 HD21 LEU 57 3HD2 LEU 57 -3.808 -15.458 -8.855 442 HD22 LEU 57 1HD2 LEU 57 -2.194 -14.762 -9.082 443 HD23 LEU 57 2HD2 LEU 57 -3.490 -13.758 -8.419 444 H ARG 58 H ARG 58 -5.131 -14.722 -3.229 445 HA ARG 58 HA ARG 58 -7.832 -15.647 -3.528 446 HB2 ARG 58 1HB ARG 58 -6.628 -14.434 -1.018 447 HB3 ARG 58 2HB ARG 58 -7.974 -15.562 -1.119 448 HG2 ARG 58 1HG ARG 58 -6.472 -17.345 -1.930 449 HG3 ARG 58 2HG ARG 58 -5.106 -16.218 -1.915 450 HD2 ARG 58 1HD ARG 58 -5.477 -15.876 0.552 451 HD3 ARG 58 2HD ARG 58 -6.674 -17.193 0.490 452 HE ARG 58 HE ARG 58 -4.083 -17.881 -0.687 453 HH11 ARG 58 2HH1 ARG 58 -5.659 -17.691 2.445 454 HH12 ARG 58 1HH1 ARG 58 -4.544 -18.819 3.165 455 HH21 ARG 58 2HH2 ARG 58 -2.750 -19.328 0.271 456 HH22 ARG 58 1HH2 ARG 58 -2.928 -19.720 1.958 457 H LYS 59 H LYS 59 -6.600 -12.377 -3.332 458 HA LYS 59 HA LYS 59 -9.197 -11.130 -2.757 459 HB2 LYS 59 1HB LYS 59 -6.662 -9.853 -3.874 460 HB3 LYS 59 2HB LYS 59 -8.064 -9.029 -3.193 461 HG2 LYS 59 1HG LYS 59 -7.611 -10.197 -0.994 462 HG3 LYS 59 2HG LYS 59 -6.096 -10.811 -1.693 463 HD2 LYS 59 1HD LYS 59 -5.320 -8.494 -2.077 464 HD3 LYS 59 2HD LYS 59 -6.843 -7.870 -1.401 465 HE2 LYS 59 1HE LYS 59 -6.343 -9.059 0.745 466 HE3 LYS 59 2HE LYS 59 -4.796 -9.590 0.077 467 HZ1 LYS 59 3HZ LYS 59 -4.544 -7.583 1.425 468 HZ2 LYS 59 1HZ LYS 59 -5.597 -6.756 0.497 469 HZ3 LYS 59 2HZ LYS 59 -4.162 -7.234 -0.122 470 H HIS 60 H HIS 60 -7.651 -12.347 -5.595 471 HA HIS 60 HA HIS 60 -9.405 -10.860 -7.444 472 HB2 HIS 60 1HB HIS 60 -7.188 -12.874 -7.935 473 HB3 HIS 60 2HB HIS 60 -8.143 -12.117 -9.201 474 HD1 HIS 60 1HD HIS 60 -8.115 -9.228 -8.959 475 HD2 HIS 60 2HD HIS 60 -4.938 -11.596 -7.533 476 HE1 HIS 60 1HE HIS 60 -6.116 -7.677 -8.829 477 H THR 61 H THR 61 -10.320 -13.169 -5.464 478 HA THR 61 HA THR 61 -12.325 -14.148 -7.413 479 HB THR 61 HB THR 61 -10.783 -16.019 -7.176 480 HG1 THR 61 1HG THR 61 -12.443 -17.470 -6.288 481 HG21 THR 61 3HG2 THR 61 -9.908 -15.635 -4.892 482 HG22 THR 61 1HG2 THR 61 -10.573 -17.261 -5.076 483 HG23 THR 61 2HG2 THR 61 -11.503 -16.023 -4.208 484 H GLY 62 H GLY 62 -14.351 -14.588 -6.587 485 HA2 GLY 62 1HA GLY 62 -15.041 -13.372 -3.944 486 HA3 GLY 62 2HA GLY 62 -16.147 -13.666 -5.284 487 H GLU 63 H GLU 63 -14.396 -16.478 -5.218 488 HA GLU 63 HA GLU 63 -15.934 -17.826 -3.087 489 HB2 GLU 63 1HB GLU 63 -17.147 -19.283 -4.560 490 HB3 GLU 63 2HB GLU 63 -17.524 -17.612 -4.970 491 HG2 GLU 63 1HG GLU 63 -15.771 -17.804 -6.837 492 HG3 GLU 63 2HG GLU 63 -15.718 -19.534 -6.497 493 H LYS 64 H LYS 64 -15.505 -19.971 -2.742 494 HA LYS 64 HA LYS 64 -13.166 -21.241 -4.005 495 HB2 LYS 64 1HB LYS 64 -13.391 -20.771 -0.993 496 HB3 LYS 64 2HB LYS 64 -12.258 -21.882 -1.762 497 HG2 LYS 64 1HG LYS 64 -11.248 -19.943 -3.007 498 HG3 LYS 64 2HG LYS 64 -12.322 -18.856 -2.116 499 HD2 LYS 64 1HD LYS 64 -10.167 -18.826 -1.051 500 HD3 LYS 64 2HD LYS 64 -11.312 -19.645 0.028 501 HE2 LYS 64 1HE LYS 64 -10.473 -21.844 -0.776 502 HE3 LYS 64 2HE LYS 64 -9.322 -21.030 -1.838 503 HZ1 LYS 64 3HZ LYS 64 -8.411 -21.792 0.330 504 HZ2 LYS 64 1HZ LYS 64 -9.350 -20.722 1.119 505 HZ3 LYS 64 2HZ LYS 64 -8.187 -20.178 0.097 506 H PHE 65 H PHE 65 -12.990 -23.497 -3.507 507 HA PHE 65 HA PHE 65 -15.490 -24.842 -2.561 508 HB2 PHE 65 1HB PHE 65 -13.453 -25.773 -4.620 509 HB3 PHE 65 2HB PHE 65 -14.823 -26.709 -4.040 510 HD1 PHE 65 2HD PHE 65 -17.147 -26.120 -4.654 511 HD2 PHE 65 1HD PHE 65 -13.791 -23.863 -6.138 512 HE1 PHE 65 2HE PHE 65 -18.615 -25.042 -6.345 513 HE2 PHE 65 1HE PHE 65 -15.253 -22.811 -7.856 514 HZ PHE 65 HZ PHE 65 -17.668 -23.404 -7.958 515 H ALA 66 H ALA 66 -15.238 -26.626 -1.151 516 HA ALA 66 HA ALA 66 -12.574 -26.886 0.165 517 HB1 ALA 66 1HB ALA 66 -13.646 -26.523 2.332 518 HB2 ALA 66 2HB ALA 66 -13.913 -25.117 1.282 519 HB3 ALA 66 3HB ALA 66 -15.222 -26.289 1.544 520 H CYS 67 H CYS 67 -12.103 -28.748 1.180 521 HA CYS 67 HA CYS 67 -13.474 -31.161 0.406 522 HB2 CYS 67 1HB CYS 67 -11.040 -30.818 0.563 523 HB3 CYS 67 2HB CYS 67 -11.183 -30.662 2.318 524 H ASP 68 H ASP 68 -14.419 -32.695 1.629 525 HA ASP 68 HA ASP 68 -15.832 -31.813 4.104 526 HB2 ASP 68 1HB ASP 68 -17.119 -32.636 2.102 527 HB3 ASP 68 2HB ASP 68 -16.362 -34.213 2.319 528 H TYR 69 H TYR 69 -13.119 -33.605 3.190 529 HA TYR 69 HA TYR 69 -13.257 -35.469 5.534 530 HB2 TYR 69 1HB TYR 69 -11.776 -35.732 2.914 531 HB3 TYR 69 2HB TYR 69 -11.820 -36.930 4.198 532 HD1 TYR 69 1HD TYR 69 -13.962 -38.158 4.693 533 HD2 TYR 69 2HD TYR 69 -13.541 -35.520 1.303 534 HE1 TYR 69 1HE TYR 69 -15.958 -39.200 3.635 535 HE2 TYR 69 2HE TYR 69 -15.547 -36.563 0.248 536 HH TYR 69 HH TYR 69 -17.358 -39.228 1.816 537 H CYS 70 H CYS 70 -11.413 -32.852 4.164 538 HA CYS 70 HA CYS 70 -9.660 -32.847 6.498 539 HB2 CYS 70 1HB CYS 70 -7.581 -32.722 5.341 540 HB3 CYS 70 2HB CYS 70 -8.395 -34.203 4.875 541 H SER 71 H SER 71 -7.988 -30.777 5.840 542 HA SER 71 HA SER 71 -9.796 -28.466 5.918 543 HB2 SER 71 1HB SER 71 -7.756 -27.246 6.609 544 HB3 SER 71 2HB SER 71 -8.106 -28.656 7.620 545 HG SER 71 HG SER 71 -5.883 -28.538 7.022 546 H PHE 72 H PHE 72 -8.474 -30.025 3.322 547 HA PHE 72 HA PHE 72 -7.133 -28.023 1.853 548 HB2 PHE 72 1HB PHE 72 -7.029 -30.410 1.372 549 HB3 PHE 72 2HB PHE 72 -8.734 -30.427 0.941 550 HD1 PHE 72 1HD PHE 72 -5.374 -29.200 -0.105 551 HD2 PHE 72 2HD PHE 72 -9.488 -29.811 -1.255 552 HE1 PHE 72 1HE PHE 72 -4.782 -28.752 -2.478 553 HE2 PHE 72 2HE PHE 72 -8.890 -29.379 -3.621 554 HZ PHE 72 HZ PHE 72 -6.535 -28.844 -4.234 555 H THR 73 H THR 73 -7.666 -26.616 0.234 556 HA THR 73 HA THR 73 -10.456 -26.309 -0.642 557 HB THR 73 HB THR 73 -10.383 -23.859 -0.525 558 HG1 THR 73 1HG THR 73 -8.084 -24.282 1.081 559 HG21 THR 73 3HG2 THR 73 -9.982 -25.048 2.247 560 HG22 THR 73 1HG2 THR 73 -11.493 -25.088 1.317 561 HG23 THR 73 2HG2 THR 73 -10.815 -23.533 1.827 562 H CYS 74 H CYS 74 -10.736 -25.355 -2.658 563 HA CYS 74 HA CYS 74 -8.390 -24.614 -4.289 564 HB2 CYS 74 1HB CYS 74 -8.988 -26.289 -6.053 565 HB3 CYS 74 2HB CYS 74 -8.421 -27.000 -4.544 566 HG CYS 74 HG CYS 74 -11.504 -26.807 -5.792 567 H LEU 75 H LEU 75 -9.152 -24.052 -6.603 568 HA LEU 75 HA LEU 75 -11.427 -22.163 -6.303 569 HB2 LEU 75 1HB LEU 75 -9.166 -22.202 -8.327 570 HB3 LEU 75 2HB LEU 75 -10.378 -20.939 -8.139 571 HG LEU 75 HG LEU 75 -8.210 -21.663 -6.125 572 HD11 LEU 75 1HD1 LEU 75 -8.680 -19.161 -7.796 573 HD12 LEU 75 2HD1 LEU 75 -7.450 -20.404 -8.111 574 HD13 LEU 75 3HD1 LEU 75 -7.357 -19.425 -6.638 575 HD21 LEU 75 3HD2 LEU 75 -10.175 -20.955 -4.868 576 HD22 LEU 75 1HD2 LEU 75 -10.415 -19.565 -5.951 577 HD23 LEU 75 2HD2 LEU 75 -8.995 -19.643 -4.880 578 H SER 76 H SER 76 -11.387 -25.192 -7.357 579 HA SER 76 HA SER 76 -13.618 -24.716 -9.247 580 HB2 SER 76 1HB SER 76 -11.809 -24.943 -10.787 581 HB3 SER 76 2HB SER 76 -11.127 -26.315 -9.901 582 HG SER 76 HG SER 76 -12.423 -26.792 -11.855 583 H LYS 77 H LYS 77 -15.217 -26.184 -9.124 584 HA LYS 77 HA LYS 77 -15.303 -28.174 -7.021 585 HB2 LYS 77 1HB LYS 77 -17.238 -26.835 -8.018 586 HB3 LYS 77 2HB LYS 77 -17.170 -27.915 -9.413 587 HG2 LYS 77 1HG LYS 77 -17.654 -29.851 -7.950 588 HG3 LYS 77 2HG LYS 77 -17.532 -28.822 -6.517 589 HD2 LYS 77 1HD LYS 77 -19.859 -29.247 -7.001 590 HD3 LYS 77 2HD LYS 77 -19.509 -27.530 -7.255 591 HE2 LYS 77 1HE LYS 77 -19.369 -27.918 -9.707 592 HE3 LYS 77 2HE LYS 77 -19.665 -29.644 -9.457 593 HZ1 LYS 77 3HZ LYS 77 -21.577 -27.472 -8.771 594 HZ2 LYS 77 1HZ LYS 77 -21.851 -29.067 -8.542 595 HZ3 LYS 77 2HZ LYS 77 -21.706 -28.470 -10.054 596 H GLY 78 H GLY 78 -14.419 -28.281 -10.428 597 HA2 GLY 78 1HA GLY 78 -14.384 -31.170 -10.753 598 HA3 GLY 78 2HA GLY 78 -13.517 -29.971 -11.729 599 H HIS 79 H HIS 79 -11.925 -28.717 -9.796 600 HA HIS 79 HA HIS 79 -9.803 -30.603 -9.345 601 HB2 HIS 79 1HB HIS 79 -9.624 -28.094 -9.662 602 HB3 HIS 79 2HB HIS 79 -10.168 -27.905 -7.994 603 HD1 HIS 79 1HD HIS 79 -7.079 -28.455 -10.002 604 HD2 HIS 79 2HD HIS 79 -8.440 -29.199 -6.090 605 HE1 HIS 79 1HE HIS 79 -4.999 -28.882 -8.591 606 H LEU 80 H LEU 80 -12.383 -29.347 -7.200 607 HA LEU 80 HA LEU 80 -11.524 -30.679 -4.832 608 HB2 LEU 80 1HB LEU 80 -13.218 -28.869 -4.848 609 HB3 LEU 80 2HB LEU 80 -14.334 -29.912 -5.722 610 HG LEU 80 HG LEU 80 -14.419 -31.478 -3.810 611 HD11 LEU 80 1HD1 LEU 80 -12.214 -31.131 -2.781 612 HD12 LEU 80 2HD1 LEU 80 -13.488 -30.770 -1.630 613 HD13 LEU 80 3HD1 LEU 80 -12.623 -29.437 -2.418 614 HD21 LEU 80 3HD2 LEU 80 -16.013 -29.564 -4.000 615 HD22 LEU 80 1HD2 LEU 80 -14.952 -28.632 -2.916 616 HD23 LEU 80 2HD2 LEU 80 -15.732 -30.112 -2.339 617 H LYS 81 H LYS 81 -13.737 -31.791 -7.449 618 HA LYS 81 HA LYS 81 -14.295 -34.368 -6.362 619 HB2 LYS 81 1HB LYS 81 -15.480 -33.313 -8.277 620 HB3 LYS 81 2HB LYS 81 -14.064 -33.587 -9.302 621 HG2 LYS 81 1HG LYS 81 -14.261 -36.042 -8.907 622 HG3 LYS 81 2HG LYS 81 -15.686 -35.765 -7.898 623 HD2 LYS 81 1HD LYS 81 -15.442 -35.057 -10.859 624 HD3 LYS 81 2HD LYS 81 -16.211 -36.513 -10.213 625 HE2 LYS 81 1HE LYS 81 -17.839 -35.089 -8.964 626 HE3 LYS 81 2HE LYS 81 -17.111 -33.645 -9.681 627 HZ1 LYS 81 3HZ LYS 81 -17.740 -34.503 -11.878 628 HZ2 LYS 81 1HZ LYS 81 -19.063 -34.363 -10.933 629 HZ3 LYS 81 2HZ LYS 81 -18.416 -35.833 -11.213 630 H VAL 82 H VAL 82 -11.618 -33.397 -8.575 631 HA VAL 82 HA VAL 82 -10.338 -35.960 -8.590 632 HB VAL 82 HB VAL 82 -9.139 -33.182 -8.951 633 HG11 VAL 82 1HG1 VAL 82 -7.289 -34.356 -10.140 634 HG12 VAL 82 2HG1 VAL 82 -7.316 -34.747 -8.422 635 HG13 VAL 82 3HG1 VAL 82 -7.948 -35.918 -9.604 636 HG21 VAL 82 3HG2 VAL 82 -9.968 -35.305 -10.986 637 HG22 VAL 82 1HG2 VAL 82 -10.869 -33.819 -10.640 638 HG23 VAL 82 2HG2 VAL 82 -9.258 -33.714 -11.347 639 H HIS 83 H HIS 83 -9.852 -33.194 -6.297 640 HA HIS 83 HA HIS 83 -7.850 -34.429 -4.717 641 HB2 HIS 83 1HB HIS 83 -8.389 -32.105 -4.414 642 HB3 HIS 83 2HB HIS 83 -10.055 -32.470 -3.987 643 HD1 HIS 83 1HD HIS 83 -6.533 -32.700 -2.463 644 HD2 HIS 83 2HD HIS 83 -10.590 -33.164 -1.484 645 HE1 HIS 83 1HE HIS 83 -6.604 -32.998 0.055 646 H ILE 84 H ILE 84 -11.446 -34.673 -4.302 647 HA ILE 84 HA ILE 84 -11.227 -36.468 -2.059 648 HB ILE 84 HB ILE 84 -13.530 -35.872 -3.939 649 HG12 ILE 84 1HG1 ILE 84 -12.969 -34.975 -1.064 650 HG13 ILE 84 2HG1 ILE 84 -12.622 -33.994 -2.479 651 HG21 ILE 84 1HG2 ILE 84 -13.544 -37.424 -1.302 652 HG22 ILE 84 2HG2 ILE 84 -14.986 -36.941 -2.227 653 HG23 ILE 84 3HG2 ILE 84 -13.867 -38.103 -2.916 654 HD11 ILE 84 3HD1 ILE 84 -14.669 -33.220 -1.540 655 HD12 ILE 84 1HD1 ILE 84 -15.041 -34.009 -3.086 656 HD13 ILE 84 2HD1 ILE 84 -15.382 -34.838 -1.545 657 H GLU 85 H GLU 85 -11.710 -37.136 -5.542 658 HA GLU 85 HA GLU 85 -11.862 -39.991 -5.150 659 HB2 GLU 85 1HB GLU 85 -11.405 -38.296 -7.636 660 HB3 GLU 85 2HB GLU 85 -11.682 -40.026 -7.666 661 HG2 GLU 85 1HG GLU 85 -13.651 -37.901 -6.718 662 HG3 GLU 85 2HG GLU 85 -13.741 -38.848 -8.192 663 H ARG 86 H ARG 86 -9.029 -37.929 -5.493 664 HA ARG 86 HA ARG 86 -7.304 -40.359 -5.780 665 HB2 ARG 86 1HB ARG 86 -6.608 -37.420 -6.072 666 HB3 ARG 86 2HB ARG 86 -5.529 -38.769 -6.381 667 HG2 ARG 86 1HG ARG 86 -8.070 -38.203 -7.989 668 HG3 ARG 86 2HG ARG 86 -6.446 -37.700 -8.425 669 HD2 ARG 86 1HD ARG 86 -6.970 -39.628 -9.699 670 HD3 ARG 86 2HD ARG 86 -5.731 -40.071 -8.505 671 HE ARG 86 HE ARG 86 -8.495 -40.588 -7.662 672 HH11 ARG 86 2HH1 ARG 86 -5.806 -42.164 -9.291 673 HH12 ARG 86 1HH1 ARG 86 -6.272 -43.722 -8.656 674 HH21 ARG 86 2HH2 ARG 86 -8.940 -42.473 -6.873 675 HH22 ARG 86 1HH2 ARG 86 -8.043 -43.917 -7.314 676 H VAL 87 H VAL 87 -7.923 -37.817 -3.404 677 HA VAL 87 HA VAL 87 -5.644 -38.824 -1.779 678 HB VAL 87 HB VAL 87 -7.451 -36.447 -1.238 679 HG11 VAL 87 1HG1 VAL 87 -6.380 -37.230 0.812 680 HG12 VAL 87 2HG1 VAL 87 -4.801 -37.291 -0.005 681 HG13 VAL 87 3HG1 VAL 87 -5.617 -35.737 0.271 682 HG21 VAL 87 3HG2 VAL 87 -6.148 -36.078 -3.311 683 HG22 VAL 87 1HG2 VAL 87 -5.482 -35.105 -1.999 684 HG23 VAL 87 2HG2 VAL 87 -4.664 -36.603 -2.488 685 H HIS 88 H HIS 88 -9.216 -38.635 -1.570 686 HA HIS 88 HA HIS 88 -9.083 -40.030 1.060 687 HB2 HIS 88 1HB HIS 88 -11.333 -38.472 -0.233 688 HB3 HIS 88 2HB HIS 88 -11.389 -39.248 1.351 689 HD1 HIS 88 1HD HIS 88 -9.231 -38.322 3.062 690 HD2 HIS 88 2HD HIS 88 -10.554 -35.976 -0.160 691 HE1 HIS 88 1HE HIS 88 -8.413 -35.965 3.539 692 H LYS 89 H LYS 89 -10.070 -40.675 -2.235 693 HA LYS 89 HA LYS 89 -11.321 -43.249 -1.493 694 HB2 LYS 89 1HB LYS 89 -11.037 -41.670 -3.995 695 HB3 LYS 89 2HB LYS 89 -10.927 -43.408 -4.190 696 HG2 LYS 89 1HG LYS 89 -13.187 -42.864 -4.514 697 HG3 LYS 89 2HG LYS 89 -13.091 -43.675 -2.951 698 HD2 LYS 89 1HD LYS 89 -13.226 -41.448 -1.805 699 HD3 LYS 89 2HD LYS 89 -13.266 -40.663 -3.396 700 HE2 LYS 89 1HE LYS 89 -15.287 -42.326 -3.830 701 HE3 LYS 89 2HE LYS 89 -15.362 -42.410 -2.064 702 HZ1 LYS 89 3HZ LYS 89 -15.579 -39.941 -2.100 703 HZ2 LYS 89 1HZ LYS 89 -16.791 -40.653 -2.944 704 HZ3 LYS 89 2HZ LYS 89 -15.537 -39.979 -3.756 705 H LYS 90 H LYS 90 -10.495 -45.213 -1.972 706 HA LYS 90 HA LYS 90 -7.518 -45.460 -2.160 707 HB2 LYS 90 1HB LYS 90 -7.716 -47.507 -0.910 708 HB3 LYS 90 2HB LYS 90 -8.521 -46.191 -0.059 709 HG2 LYS 90 1HG LYS 90 -10.736 -47.032 -0.823 710 HG3 LYS 90 2HG LYS 90 -9.941 -48.301 -1.760 711 HD2 LYS 90 1HD LYS 90 -10.784 -49.257 0.275 712 HD3 LYS 90 2HD LYS 90 -9.016 -49.270 0.333 713 HE2 LYS 90 1HE LYS 90 -9.047 -47.247 1.776 714 HE3 LYS 90 2HE LYS 90 -10.811 -47.190 1.674 715 HZ1 LYS 90 3HZ LYS 90 -9.245 -49.409 2.885 716 HZ2 LYS 90 1HZ LYS 90 -10.876 -49.355 2.795 717 HZ3 LYS 90 2HZ LYS 90 -10.074 -48.277 3.717 718 H ILE 91 H ILE 91 -9.984 -45.747 -4.272 719 HA ILE 91 HA ILE 91 -9.227 -48.295 -5.505 720 HB ILE 91 HB ILE 91 -11.126 -47.732 -7.088 721 HG12 ILE 91 1HG1 ILE 91 -12.873 -46.232 -6.348 722 HG13 ILE 91 2HG1 ILE 91 -11.919 -45.670 -4.984 723 HG21 ILE 91 1HG2 ILE 91 -12.792 -48.477 -5.452 724 HG22 ILE 91 2HG2 ILE 91 -11.260 -49.331 -5.226 725 HG23 ILE 91 3HG2 ILE 91 -11.717 -48.022 -4.114 726 HD11 ILE 91 3HD1 ILE 91 -10.389 -44.500 -6.462 727 HD12 ILE 91 1HD1 ILE 91 -11.140 -45.241 -7.901 728 HD13 ILE 91 2HD1 ILE 91 -12.042 -44.074 -6.912 729 H LYS 92 H LYS 92 -9.015 -48.481 -7.806 730 HA LYS 92 HA LYS 92 -7.567 -46.326 -9.235 731 HB2 LYS 92 1HB LYS 92 -5.856 -47.574 -7.910 732 HB3 LYS 92 2HB LYS 92 -6.354 -49.082 -8.705 733 HG2 LYS 92 1HG LYS 92 -5.647 -48.067 -10.891 734 HG3 LYS 92 2HG LYS 92 -5.152 -46.613 -9.992 735 HD2 LYS 92 1HD LYS 92 -3.717 -48.260 -8.538 736 HD3 LYS 92 2HD LYS 92 -3.999 -49.434 -9.850 737 HE2 LYS 92 1HE LYS 92 -3.156 -47.722 -11.467 738 HE3 LYS 92 2HE LYS 92 -2.874 -46.633 -10.095 739 HZ1 LYS 92 3HZ LYS 92 -1.251 -48.243 -9.235 740 HZ2 LYS 92 1HZ LYS 92 -0.823 -47.802 -10.746 741 HZ3 LYS 92 2HZ LYS 92 -1.517 -49.255 -10.492 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -8.577 16.752 -21.610 2 H2 GLY 1 2H GLY 1 -9.982 15.948 -21.871 3 H3 GLY 1 3H GLY 1 -10.011 17.510 -21.380 4 HA2 GLY 1 1HA GLY 1 -8.999 16.538 -23.976 5 HA3 GLY 1 2HA GLY 1 -10.537 17.384 -23.720 6 H SER 2 H SER 2 -10.020 19.104 -25.039 7 HA SER 2 HA SER 2 -9.347 21.124 -25.678 8 HB2 SER 2 1HB SER 2 -8.474 21.528 -22.810 9 HB3 SER 2 2HB SER 2 -8.798 22.790 -24.009 10 HG SER 2 HG SER 2 -10.610 22.403 -22.648 11 H SER 3 H SER 3 -6.716 19.209 -24.450 12 HA SER 3 HA SER 3 -4.947 20.458 -26.461 13 HB2 SER 3 1HB SER 3 -3.069 20.637 -24.904 14 HB3 SER 3 2HB SER 3 -4.411 21.676 -24.410 15 HG SER 3 HG SER 3 -3.523 20.521 -22.639 16 H GLY 4 H GLY 4 -3.032 19.164 -26.936 17 HA2 GLY 4 1HA GLY 4 -1.936 17.188 -27.429 18 HA3 GLY 4 2HA GLY 4 -2.737 16.430 -26.055 19 H SER 5 H SER 5 -2.711 14.569 -27.539 20 HA SER 5 HA SER 5 -5.308 14.243 -28.848 21 HB2 SER 5 1HB SER 5 -4.498 13.489 -30.975 22 HB3 SER 5 2HB SER 5 -3.831 15.098 -30.698 23 HG SER 5 HG SER 5 -1.853 14.177 -30.189 24 H SER 6 H SER 6 -5.545 11.901 -29.659 25 HA SER 6 HA SER 6 -4.704 9.989 -27.639 26 HB2 SER 6 1HB SER 6 -5.915 8.376 -29.098 27 HB3 SER 6 2HB SER 6 -6.880 9.794 -28.649 28 HG SER 6 HG SER 6 -7.048 9.293 -30.895 29 H GLY 7 H GLY 7 -3.152 11.166 -30.463 30 HA2 GLY 7 1HA GLY 7 -1.723 8.772 -31.269 31 HA3 GLY 7 2HA GLY 7 -1.452 10.424 -31.826 32 H LYS 8 H LYS 8 -1.280 9.220 -28.469 33 HA LYS 8 HA LYS 8 1.206 10.610 -27.960 34 HB2 LYS 8 1HB LYS 8 -0.577 10.336 -26.275 35 HB3 LYS 8 2HB LYS 8 -0.343 8.582 -26.277 36 HG2 LYS 8 1HG LYS 8 1.894 8.821 -25.338 37 HG3 LYS 8 2HG LYS 8 1.819 10.590 -25.507 38 HD2 LYS 8 1HD LYS 8 0.027 10.699 -23.826 39 HD3 LYS 8 2HD LYS 8 -0.060 8.934 -23.768 40 HE2 LYS 8 1HE LYS 8 1.163 9.668 -21.839 41 HE3 LYS 8 2HE LYS 8 2.273 8.830 -22.925 42 HZ1 LYS 8 3HZ LYS 8 3.217 10.900 -22.038 43 HZ2 LYS 8 1HZ LYS 8 2.029 11.788 -22.713 44 HZ3 LYS 8 2HZ LYS 8 3.102 10.991 -23.659 45 H ILE 9 H ILE 9 3.169 9.870 -27.377 46 HA ILE 9 HA ILE 9 4.032 7.187 -28.373 47 HB ILE 9 HB ILE 9 5.469 9.860 -28.636 48 HG12 ILE 9 1HG1 ILE 9 4.180 8.096 -30.777 49 HG13 ILE 9 2HG1 ILE 9 3.530 9.624 -30.193 50 HG21 ILE 9 1HG2 ILE 9 6.280 7.075 -29.580 51 HG22 ILE 9 2HG2 ILE 9 7.141 8.584 -29.955 52 HG23 ILE 9 3HG2 ILE 9 7.067 8.033 -28.300 53 HD11 ILE 9 3HD1 ILE 9 4.560 10.077 -32.265 54 HD12 ILE 9 1HD1 ILE 9 5.561 10.811 -30.999 55 HD13 ILE 9 2HD1 ILE 9 6.076 9.296 -31.792 56 H PHE 10 H PHE 10 5.603 6.134 -27.162 57 HA PHE 10 HA PHE 10 6.077 7.196 -24.400 58 HB2 PHE 10 1HB PHE 10 5.440 4.369 -25.325 59 HB3 PHE 10 2HB PHE 10 5.837 4.838 -23.682 60 HD1 PHE 10 1HD PHE 10 3.268 5.109 -26.358 61 HD2 PHE 10 2HD PHE 10 4.233 5.963 -22.241 62 HE1 PHE 10 1HE PHE 10 0.892 5.676 -25.919 63 HE2 PHE 10 2HE PHE 10 1.850 6.511 -21.801 64 HZ PHE 10 HZ PHE 10 0.178 6.367 -23.634 65 H THR 11 H THR 11 8.158 7.100 -23.616 66 HA THR 11 HA THR 11 10.243 5.857 -25.361 67 HB THR 11 HB THR 11 10.350 8.609 -24.090 68 HG1 THR 11 1HG THR 11 10.066 9.356 -26.177 69 HG21 THR 11 3HG2 THR 11 12.151 7.234 -26.129 70 HG22 THR 11 1HG2 THR 11 12.583 7.644 -24.453 71 HG23 THR 11 2HG2 THR 11 12.277 8.933 -25.622 72 H CYS 12 H CYS 12 11.871 4.834 -24.402 73 HA CYS 12 HA CYS 12 11.872 4.310 -21.544 74 HB2 CYS 12 1HB CYS 12 12.369 2.602 -23.177 75 HB3 CYS 12 2HB CYS 12 13.728 3.554 -23.822 76 H GLU 13 H GLU 13 13.011 5.275 -19.993 77 HA GLU 13 HA GLU 13 14.730 7.583 -20.625 78 HB2 GLU 13 1HB GLU 13 14.654 8.094 -18.293 79 HB3 GLU 13 2HB GLU 13 13.026 7.748 -18.869 80 HG2 GLU 13 1HG GLU 13 13.184 5.451 -17.890 81 HG3 GLU 13 2HG GLU 13 14.800 5.835 -17.286 82 H TYR 14 H TYR 14 15.319 4.285 -20.321 83 HA TYR 14 HA TYR 14 18.021 4.627 -19.098 84 HB2 TYR 14 1HB TYR 14 16.366 2.153 -19.620 85 HB3 TYR 14 2HB TYR 14 17.934 2.185 -18.836 86 HD1 TYR 14 2HD TYR 14 18.194 3.308 -16.587 87 HD2 TYR 14 1HD TYR 14 14.343 2.627 -18.413 88 HE1 TYR 14 2HE TYR 14 17.093 3.592 -14.370 89 HE2 TYR 14 1HE TYR 14 13.245 2.914 -16.187 90 HH TYR 14 HH TYR 14 15.115 3.605 -13.213 91 H CYS 15 H CYS 15 16.484 3.558 -22.123 92 HA CYS 15 HA CYS 15 19.171 3.519 -23.385 93 HB2 CYS 15 1HB CYS 15 18.742 1.522 -24.595 94 HB3 CYS 15 2HB CYS 15 18.611 1.221 -22.864 95 H ASN 16 H ASN 16 16.461 5.195 -23.433 96 HA ASN 16 HA ASN 16 15.441 6.604 -24.822 97 HB2 ASN 16 1HB ASN 16 18.040 7.073 -25.018 98 HB3 ASN 16 2HB ASN 16 17.770 6.651 -26.704 99 HD21 ASN 16 1HD2 ASN 16 15.665 7.866 -27.614 100 HD22 ASN 16 2HD2 ASN 16 15.642 9.590 -27.218 101 H LYS 17 H LYS 17 15.178 3.639 -25.556 102 HA LYS 17 HA LYS 17 14.380 3.604 -28.349 103 HB2 LYS 17 1HB LYS 17 13.773 1.833 -25.960 104 HB3 LYS 17 2HB LYS 17 13.076 1.536 -27.567 105 HG2 LYS 17 1HG LYS 17 15.308 1.289 -28.548 106 HG3 LYS 17 2HG LYS 17 16.046 1.696 -26.984 107 HD2 LYS 17 1HD LYS 17 14.774 -0.285 -25.990 108 HD3 LYS 17 2HD LYS 17 14.272 -0.713 -27.622 109 HE2 LYS 17 1HE LYS 17 16.143 -2.059 -26.836 110 HE3 LYS 17 2HE LYS 17 16.578 -1.135 -28.281 111 HZ1 LYS 17 3HZ LYS 17 18.270 -1.107 -26.405 112 HZ2 LYS 17 1HZ LYS 17 17.226 -0.159 -25.544 113 HZ3 LYS 17 2HZ LYS 17 17.836 0.371 -26.951 114 H VAL 18 H VAL 18 12.347 3.545 -29.197 115 HA VAL 18 HA VAL 18 10.250 5.103 -27.727 116 HB VAL 18 HB VAL 18 10.920 5.234 -30.688 117 HG11 VAL 18 1HG1 VAL 18 8.530 5.676 -30.278 118 HG12 VAL 18 2HG1 VAL 18 8.957 6.805 -28.967 119 HG13 VAL 18 3HG1 VAL 18 9.359 7.186 -30.656 120 HG21 VAL 18 3HG2 VAL 18 12.657 6.376 -29.344 121 HG22 VAL 18 1HG2 VAL 18 11.649 7.554 -30.186 122 HG23 VAL 18 2HG2 VAL 18 11.397 7.259 -28.452 123 H PHE 19 H PHE 19 8.224 4.419 -27.750 124 HA PHE 19 HA PHE 19 7.473 1.915 -29.183 125 HB2 PHE 19 1HB PHE 19 7.015 2.589 -26.249 126 HB3 PHE 19 2HB PHE 19 6.459 1.147 -27.080 127 HD1 PHE 19 2HD PHE 19 8.097 -0.594 -27.857 128 HD2 PHE 19 1HD PHE 19 9.312 2.793 -25.486 129 HE1 PHE 19 2HE PHE 19 10.279 -1.693 -27.406 130 HE2 PHE 19 1HE PHE 19 11.492 1.691 -25.035 131 HZ PHE 19 HZ PHE 19 12.002 -0.540 -26.028 132 H LYS 20 H LYS 20 5.315 1.642 -29.663 133 HA LYS 20 HA LYS 20 3.831 4.080 -30.173 134 HB2 LYS 20 1HB LYS 20 4.065 2.119 -31.715 135 HB3 LYS 20 2HB LYS 20 3.032 1.175 -30.638 136 HG2 LYS 20 1HG LYS 20 1.151 2.694 -31.046 137 HG3 LYS 20 2HG LYS 20 2.193 3.789 -31.977 138 HD2 LYS 20 1HD LYS 20 2.545 2.032 -33.675 139 HD3 LYS 20 2HD LYS 20 1.549 0.902 -32.734 140 HE2 LYS 20 1HE LYS 20 -0.393 2.431 -32.952 141 HE3 LYS 20 2HE LYS 20 0.597 3.571 -33.872 142 HZ1 LYS 20 3HZ LYS 20 0.868 1.857 -35.584 143 HZ2 LYS 20 1HZ LYS 20 -0.717 2.154 -35.344 144 HZ3 LYS 20 2HZ LYS 20 -0.044 0.797 -34.737 145 H PHE 21 H PHE 21 3.602 1.664 -27.661 146 HA PHE 21 HA PHE 21 1.143 2.970 -26.575 147 HB2 PHE 21 1HB PHE 21 1.661 -0.020 -26.669 148 HB3 PHE 21 2HB PHE 21 0.239 0.786 -26.035 149 HD1 PHE 21 2HD PHE 21 -1.201 2.193 -27.701 150 HD2 PHE 21 1HD PHE 21 1.712 -0.742 -28.923 151 HE1 PHE 21 2HE PHE 21 -2.331 1.986 -29.905 152 HE2 PHE 21 1HE PHE 21 0.571 -0.960 -31.118 153 HZ PHE 21 HZ PHE 21 -1.453 0.402 -31.612 154 H LYS 22 H LYS 22 0.784 2.767 -24.347 155 HA LYS 22 HA LYS 22 3.041 2.975 -22.637 156 HB2 LYS 22 1HB LYS 22 0.662 3.874 -22.315 157 HB3 LYS 22 2HB LYS 22 0.202 2.258 -21.778 158 HG2 LYS 22 1HG LYS 22 1.880 2.394 -19.944 159 HG3 LYS 22 2HG LYS 22 2.397 3.986 -20.536 160 HD2 LYS 22 1HD LYS 22 0.082 4.856 -20.140 161 HD3 LYS 22 2HD LYS 22 -0.377 3.270 -19.480 162 HE2 LYS 22 1HE LYS 22 1.406 3.501 -17.746 163 HE3 LYS 22 2HE LYS 22 1.827 5.089 -18.404 164 HZ1 LYS 22 3HZ LYS 22 -0.811 4.379 -17.227 165 HZ2 LYS 22 1HZ LYS 22 -0.422 5.846 -17.834 166 HZ3 LYS 22 2HZ LYS 22 0.330 5.289 -16.499 167 H HIS 23 H HIS 23 0.895 0.177 -23.244 168 HA HIS 23 HA HIS 23 2.100 -1.535 -21.302 169 HB2 HIS 23 1HB HIS 23 0.933 -3.346 -22.429 170 HB3 HIS 23 2HB HIS 23 -0.108 -1.962 -22.146 171 HD1 HIS 23 1HD HIS 23 -1.408 -1.083 -24.255 172 HD2 HIS 23 2HD HIS 23 1.764 -3.723 -25.087 173 HE1 HIS 23 1HE HIS 23 -1.559 -1.623 -26.741 174 H SER 24 H SER 24 3.029 -0.865 -24.681 175 HA SER 24 HA SER 24 4.996 -2.939 -24.928 176 HB2 SER 24 1HB SER 24 4.945 -0.196 -26.232 177 HB3 SER 24 2HB SER 24 5.877 -1.599 -26.776 178 HG SER 24 HG SER 24 3.921 -2.662 -27.225 179 H LEU 25 H LEU 25 5.287 0.503 -23.853 180 HA LEU 25 HA LEU 25 8.072 0.283 -23.186 181 HB2 LEU 25 1HB LEU 25 7.037 2.438 -23.588 182 HB3 LEU 25 2HB LEU 25 5.919 2.206 -22.241 183 HG LEU 25 HG LEU 25 7.796 2.263 -20.634 184 HD11 LEU 25 1HD1 LEU 25 9.643 1.404 -22.050 185 HD12 LEU 25 2HD1 LEU 25 10.046 2.962 -21.339 186 HD13 LEU 25 3HD1 LEU 25 9.562 2.873 -23.047 187 HD21 LEU 25 3HD2 LEU 25 8.353 4.620 -20.833 188 HD22 LEU 25 1HD2 LEU 25 6.654 4.361 -21.267 189 HD23 LEU 25 2HD2 LEU 25 7.874 4.620 -22.540 190 H GLN 26 H GLN 26 5.116 -0.154 -21.143 191 HA GLN 26 HA GLN 26 6.473 -0.663 -18.694 192 HB2 GLN 26 1HB GLN 26 3.807 -1.600 -19.810 193 HB3 GLN 26 2HB GLN 26 4.341 -2.051 -18.200 194 HG2 GLN 26 1HG GLN 26 4.065 0.844 -19.136 195 HG3 GLN 26 2HG GLN 26 2.815 -0.048 -18.274 196 HE21 GLN 26 1HE2 GLN 26 3.393 -0.864 -16.021 197 HE22 GLN 26 2HE2 GLN 26 4.551 0.095 -15.111 198 H ALA 27 H ALA 27 5.616 -2.992 -21.303 199 HA ALA 27 HA ALA 27 6.756 -5.256 -19.922 200 HB1 ALA 27 1HB ALA 27 6.122 -4.808 -22.862 201 HB2 ALA 27 2HB ALA 27 6.438 -6.375 -22.079 202 HB3 ALA 27 3HB ALA 27 5.002 -5.430 -21.625 203 H HIS 28 H HIS 28 8.135 -2.853 -22.185 204 HA HIS 28 HA HIS 28 10.681 -4.167 -22.523 205 HB2 HIS 28 1HB HIS 28 9.985 -2.474 -24.081 206 HB3 HIS 28 2HB HIS 28 9.751 -1.286 -22.802 207 HD1 HIS 28 1HD HIS 28 12.724 -3.263 -24.322 208 HD2 HIS 28 2HD HIS 28 11.763 0.243 -22.208 209 HE1 HIS 28 1HE HIS 28 14.896 -1.982 -24.090 210 H LEU 29 H LEU 29 9.527 -1.732 -20.144 211 HA LEU 29 HA LEU 29 11.984 -1.218 -18.881 212 HB2 LEU 29 1HB LEU 29 9.097 -1.085 -17.970 213 HB3 LEU 29 2HB LEU 29 10.398 -0.636 -16.877 214 HG LEU 29 HG LEU 29 10.094 0.660 -19.617 215 HD11 LEU 29 1HD1 LEU 29 9.039 1.608 -16.916 216 HD12 LEU 29 2HD1 LEU 29 8.056 1.082 -18.299 217 HD13 LEU 29 3HD1 LEU 29 9.037 2.549 -18.425 218 HD21 LEU 29 3HD2 LEU 29 12.318 0.930 -18.574 219 HD22 LEU 29 1HD2 LEU 29 11.551 1.510 -17.081 220 HD23 LEU 29 2HD2 LEU 29 11.436 2.456 -18.583 221 H ARG 30 H ARG 30 10.182 -4.158 -18.627 222 HA ARG 30 HA ARG 30 11.082 -5.162 -16.109 223 HB2 ARG 30 1HB ARG 30 10.595 -6.633 -18.731 224 HB3 ARG 30 2HB ARG 30 10.751 -7.400 -17.148 225 HG2 ARG 30 1HG ARG 30 8.760 -6.172 -16.325 226 HG3 ARG 30 2HG ARG 30 8.543 -5.434 -17.918 227 HD2 ARG 30 1HD ARG 30 8.468 -8.419 -17.315 228 HD3 ARG 30 2HD ARG 30 7.056 -7.378 -17.580 229 HE ARG 30 HE ARG 30 8.709 -7.043 -19.832 230 HH11 ARG 30 2HH1 ARG 30 6.855 -9.694 -18.476 231 HH12 ARG 30 1HH1 ARG 30 6.693 -10.482 -20.022 232 HH21 ARG 30 2HH2 ARG 30 8.513 -8.106 -21.732 233 HH22 ARG 30 1HH2 ARG 30 7.604 -9.589 -21.830 234 H ILE 31 H ILE 31 12.987 -4.694 -19.060 235 HA ILE 31 HA ILE 31 15.157 -6.404 -18.102 236 HB ILE 31 HB ILE 31 16.350 -5.849 -19.955 237 HG12 ILE 31 1HG1 ILE 31 14.567 -3.467 -20.531 238 HG13 ILE 31 2HG1 ILE 31 16.248 -3.444 -20.011 239 HG21 ILE 31 1HG2 ILE 31 14.312 -7.292 -20.259 240 HG22 ILE 31 2HG2 ILE 31 13.487 -5.885 -20.970 241 HG23 ILE 31 3HG2 ILE 31 14.929 -6.571 -21.746 242 HD11 ILE 31 3HD1 ILE 31 16.885 -4.663 -22.102 243 HD12 ILE 31 1HD1 ILE 31 15.216 -4.429 -22.680 244 HD13 ILE 31 2HD1 ILE 31 16.249 -3.026 -22.346 245 H HIS 32 H HIS 32 14.271 -3.082 -17.693 246 HA HIS 32 HA HIS 32 16.952 -2.265 -16.723 247 HB2 HIS 32 1HB HIS 32 14.407 -0.668 -17.165 248 HB3 HIS 32 2HB HIS 32 15.973 -0.010 -16.704 249 HD1 HIS 32 1HD HIS 32 18.006 -0.858 -18.703 250 HD2 HIS 32 2HD HIS 32 13.958 -0.314 -19.675 251 HE1 HIS 32 1HE HIS 32 17.950 -0.403 -21.204 252 H THR 33 H THR 33 13.725 -2.971 -15.416 253 HA THR 33 HA THR 33 14.952 -2.968 -12.720 254 HB THR 33 HB THR 33 13.863 -0.833 -12.793 255 HG1 THR 33 1HG THR 33 12.633 -1.155 -10.956 256 HG21 THR 33 3HG2 THR 33 12.065 -1.252 -14.454 257 HG22 THR 33 1HG2 THR 33 11.448 -0.560 -12.947 258 HG23 THR 33 2HG2 THR 33 11.230 -2.291 -13.276 259 H ASN 34 H ASN 34 14.428 -4.585 -11.466 260 HA ASN 34 HA ASN 34 12.143 -6.368 -11.968 261 HB2 ASN 34 1HB ASN 34 14.011 -7.077 -13.539 262 HB3 ASN 34 2HB ASN 34 15.023 -7.378 -12.126 263 HD21 ASN 34 1HD2 ASN 34 15.160 -9.597 -12.983 264 HD22 ASN 34 2HD2 ASN 34 13.830 -10.702 -12.682 265 H GLU 35 H GLU 35 12.567 -4.636 -9.851 266 HA GLU 35 HA GLU 35 14.178 -5.590 -7.741 267 HB2 GLU 35 1HB GLU 35 12.967 -3.969 -6.333 268 HB3 GLU 35 2HB GLU 35 13.557 -3.293 -7.847 269 HG2 GLU 35 1HG GLU 35 11.357 -3.224 -8.806 270 HG3 GLU 35 2HG GLU 35 10.685 -4.239 -7.538 271 H LYS 36 H LYS 36 10.918 -6.613 -8.496 272 HA LYS 36 HA LYS 36 10.924 -8.380 -6.079 273 HB2 LYS 36 1HB LYS 36 8.645 -6.993 -7.479 274 HB3 LYS 36 2HB LYS 36 8.380 -8.569 -6.754 275 HG2 LYS 36 1HG LYS 36 7.693 -6.890 -5.207 276 HG3 LYS 36 2HG LYS 36 9.083 -7.757 -4.550 277 HD2 LYS 36 1HD LYS 36 10.555 -5.889 -5.040 278 HD3 LYS 36 2HD LYS 36 9.269 -5.055 -5.946 279 HE2 LYS 36 1HE LYS 36 7.959 -4.763 -3.929 280 HE3 LYS 36 2HE LYS 36 9.093 -5.739 -2.982 281 HZ1 LYS 36 3HZ LYS 36 10.764 -4.060 -3.265 282 HZ2 LYS 36 1HZ LYS 36 9.418 -3.272 -2.780 283 HZ3 LYS 36 2HZ LYS 36 9.892 -3.220 -4.356 284 HA PRO 37 HA PRO 37 11.503 -11.515 -9.229 285 HB2 PRO 37 1HB PRO 37 11.032 -13.789 -7.694 286 HB3 PRO 37 2HB PRO 37 12.552 -12.865 -7.750 287 HG2 PRO 37 1HG PRO 37 10.322 -12.674 -5.718 288 HG3 PRO 37 2HG PRO 37 12.086 -12.718 -5.422 289 HD2 PRO 37 1HD PRO 37 10.674 -10.394 -5.425 290 HD3 PRO 37 2HD PRO 37 12.333 -10.463 -6.087 291 H TYR 38 H TYR 38 8.591 -11.856 -7.099 292 HA TYR 38 HA TYR 38 7.230 -13.368 -9.237 293 HB2 TYR 38 1HB TYR 38 6.327 -12.849 -6.387 294 HB3 TYR 38 2HB TYR 38 5.639 -13.986 -7.534 295 HD1 TYR 38 1HD TYR 38 6.874 -16.074 -8.171 296 HD2 TYR 38 2HD TYR 38 8.198 -13.440 -5.030 297 HE1 TYR 38 1HE TYR 38 8.306 -17.890 -7.251 298 HE2 TYR 38 2HE TYR 38 9.682 -15.236 -4.141 299 HH TYR 38 HH TYR 38 9.860 -18.478 -5.662 300 H LYS 39 H LYS 39 5.458 -12.535 -10.337 301 HA LYS 39 HA LYS 39 4.308 -9.899 -9.537 302 HB2 LYS 39 1HB LYS 39 4.809 -10.968 -12.342 303 HB3 LYS 39 2HB LYS 39 3.963 -9.502 -11.916 304 HG2 LYS 39 1HG LYS 39 5.990 -8.577 -12.380 305 HG3 LYS 39 2HG LYS 39 6.235 -8.894 -10.659 306 HD2 LYS 39 1HD LYS 39 7.339 -11.081 -11.305 307 HD3 LYS 39 2HD LYS 39 7.153 -10.627 -13.003 308 HE2 LYS 39 1HE LYS 39 8.569 -8.648 -12.661 309 HE3 LYS 39 2HE LYS 39 8.635 -8.966 -10.921 310 HZ1 LYS 39 3HZ LYS 39 9.753 -11.077 -11.421 311 HZ2 LYS 39 1HZ LYS 39 10.623 -9.795 -11.971 312 HZ3 LYS 39 2HZ LYS 39 9.774 -10.724 -13.023 313 H CYS 40 H CYS 40 2.159 -9.551 -9.842 314 HA CYS 40 HA CYS 40 0.376 -11.825 -9.724 315 HB2 CYS 40 1HB CYS 40 0.037 -9.827 -8.416 316 HB3 CYS 40 2HB CYS 40 -0.094 -8.839 -9.889 317 HA PRO 41 HA PRO 41 -0.364 -11.867 -14.210 318 HB2 PRO 41 1HB PRO 41 -2.158 -13.901 -14.350 319 HB3 PRO 41 2HB PRO 41 -0.436 -14.177 -13.948 320 HG2 PRO 41 1HG PRO 41 -2.781 -13.953 -12.039 321 HG3 PRO 41 2HG PRO 41 -1.488 -15.190 -12.065 322 HD2 PRO 41 1HD PRO 41 -1.429 -12.947 -10.442 323 HD3 PRO 41 2HD PRO 41 0.051 -13.739 -11.063 324 H GLN 42 H GLN 42 -2.520 -10.866 -11.721 325 HA GLN 42 HA GLN 42 -4.694 -10.180 -13.662 326 HB2 GLN 42 1HB GLN 42 -4.786 -10.433 -10.646 327 HB3 GLN 42 2HB GLN 42 -6.147 -10.021 -11.677 328 HG2 GLN 42 1HG GLN 42 -4.629 -12.665 -11.682 329 HG3 GLN 42 2HG GLN 42 -6.188 -12.373 -10.940 330 HE21 GLN 42 1HE2 GLN 42 -5.859 -14.440 -12.821 331 HE22 GLN 42 2HE2 GLN 42 -6.770 -14.000 -14.259 332 H CYS 43 H CYS 43 -2.414 -8.617 -11.335 333 HA CYS 43 HA CYS 43 -3.259 -6.029 -12.491 334 HB2 CYS 43 1HB CYS 43 -3.585 -4.999 -10.347 335 HB3 CYS 43 2HB CYS 43 -4.657 -6.383 -10.490 336 H SER 44 H SER 44 -1.783 -4.260 -11.274 337 HA SER 44 HA SER 44 0.878 -4.721 -12.249 338 HB2 SER 44 1HB SER 44 -0.157 -2.441 -10.526 339 HB3 SER 44 2HB SER 44 1.318 -2.439 -11.512 340 HG SER 44 HG SER 44 -0.447 -1.421 -12.579 341 H TYR 45 H TYR 45 -0.339 -5.889 -9.407 342 HA TYR 45 HA TYR 45 1.565 -5.209 -7.427 343 HB2 TYR 45 1HB TYR 45 -0.703 -6.091 -7.073 344 HB3 TYR 45 2HB TYR 45 -0.237 -7.637 -7.765 345 HD1 TYR 45 2HD TYR 45 0.009 -5.313 -4.912 346 HD2 TYR 45 1HD TYR 45 1.209 -9.197 -6.370 347 HE1 TYR 45 2HE TYR 45 0.666 -5.971 -2.609 348 HE2 TYR 45 1HE TYR 45 1.858 -9.858 -4.049 349 HH TYR 45 HH TYR 45 1.476 -7.594 -1.277 350 H ALA 46 H ALA 46 3.298 -6.256 -6.594 351 HA ALA 46 HA ALA 46 4.220 -8.810 -7.666 352 HB1 ALA 46 1HB ALA 46 5.306 -7.182 -9.167 353 HB2 ALA 46 2HB ALA 46 6.048 -6.374 -7.764 354 HB3 ALA 46 3HB ALA 46 6.485 -8.047 -8.189 355 H SER 47 H SER 47 5.910 -9.796 -6.415 356 HA SER 47 HA SER 47 5.940 -9.065 -3.516 357 HB2 SER 47 1HB SER 47 4.041 -10.604 -4.014 358 HB3 SER 47 2HB SER 47 5.196 -11.762 -4.703 359 HG SER 47 HG SER 47 5.056 -12.445 -2.705 360 H ALA 48 H ALA 48 7.551 -10.010 -2.287 361 HA ALA 48 HA ALA 48 9.950 -11.075 -3.656 362 HB1 ALA 48 1HB ALA 48 11.017 -10.753 -1.478 363 HB2 ALA 48 2HB ALA 48 10.200 -9.267 -2.001 364 HB3 ALA 48 3HB ALA 48 9.456 -10.303 -0.757 365 H ILE 49 H ILE 49 7.121 -12.360 -2.351 366 HA ILE 49 HA ILE 49 8.374 -15.008 -1.769 367 HB ILE 49 HB ILE 49 6.147 -13.880 -0.061 368 HG12 ILE 49 1HG1 ILE 49 9.108 -13.530 0.472 369 HG13 ILE 49 2HG1 ILE 49 7.887 -12.265 0.229 370 HG21 ILE 49 1HG2 ILE 49 8.201 -16.059 0.468 371 HG22 ILE 49 2HG2 ILE 49 6.800 -15.642 1.482 372 HG23 ILE 49 3HG2 ILE 49 6.541 -16.340 -0.102 373 HD11 ILE 49 3HD1 ILE 49 8.355 -12.381 2.568 374 HD12 ILE 49 1HD1 ILE 49 6.723 -13.031 2.309 375 HD13 ILE 49 2HD1 ILE 49 8.094 -14.130 2.615 376 H LYS 50 H LYS 50 7.343 -16.677 -2.688 377 HA LYS 50 HA LYS 50 5.110 -16.312 -4.440 378 HB2 LYS 50 1HB LYS 50 7.033 -18.076 -4.453 379 HB3 LYS 50 2HB LYS 50 6.004 -19.009 -3.367 380 HG2 LYS 50 1HG LYS 50 4.188 -18.928 -5.100 381 HG3 LYS 50 2HG LYS 50 5.258 -17.991 -6.155 382 HD2 LYS 50 1HD LYS 50 6.874 -19.883 -6.184 383 HD3 LYS 50 2HD LYS 50 5.787 -20.821 -5.135 384 HE2 LYS 50 1HE LYS 50 4.002 -20.671 -6.863 385 HE3 LYS 50 2HE LYS 50 5.088 -19.744 -7.907 386 HZ1 LYS 50 3HZ LYS 50 5.083 -22.099 -8.501 387 HZ2 LYS 50 1HZ LYS 50 5.564 -22.539 -7.007 388 HZ3 LYS 50 2HZ LYS 50 6.568 -21.684 -7.973 389 H ALA 51 H ALA 51 5.254 -17.540 -1.110 390 HA ALA 51 HA ALA 51 2.464 -18.242 -0.916 391 HB1 ALA 51 1HB ALA 51 4.224 -19.167 0.547 392 HB2 ALA 51 2HB ALA 51 4.508 -17.555 1.247 393 HB3 ALA 51 3HB ALA 51 2.952 -18.376 1.494 394 H ASN 52 H ASN 52 4.166 -15.121 -0.479 395 HA ASN 52 HA ASN 52 1.786 -13.785 0.603 396 HB2 ASN 52 1HB ASN 52 3.974 -12.869 1.116 397 HB3 ASN 52 2HB ASN 52 4.358 -12.716 -0.600 398 HD21 ASN 52 1HD2 ASN 52 4.041 -10.739 -1.478 399 HD22 ASN 52 2HD2 ASN 52 2.807 -9.600 -0.945 400 H LEU 53 H LEU 53 3.228 -14.242 -2.677 401 HA LEU 53 HA LEU 53 1.151 -12.813 -4.029 402 HB2 LEU 53 1HB LEU 53 3.291 -13.357 -5.082 403 HB3 LEU 53 2HB LEU 53 2.919 -15.082 -5.009 404 HG LEU 53 HG LEU 53 1.032 -14.783 -6.564 405 HD11 LEU 53 1HD1 LEU 53 1.870 -11.846 -6.635 406 HD12 LEU 53 2HD1 LEU 53 0.316 -12.486 -6.049 407 HD13 LEU 53 3HD1 LEU 53 0.724 -12.627 -7.750 408 HD21 LEU 53 3HD2 LEU 53 2.289 -14.319 -8.559 409 HD22 LEU 53 1HD2 LEU 53 3.355 -15.158 -7.419 410 HD23 LEU 53 2HD2 LEU 53 3.497 -13.394 -7.648 411 H ASN 54 H ASN 54 1.303 -16.240 -2.960 412 HA ASN 54 HA ASN 54 -1.157 -17.134 -4.034 413 HB2 ASN 54 1HB ASN 54 0.516 -18.577 -2.929 414 HB3 ASN 54 2HB ASN 54 0.187 -17.817 -1.380 415 HD21 ASN 54 2HD2 ASN 54 -0.841 -20.249 -3.585 416 HD22 ASN 54 1HD2 ASN 54 -2.199 -20.803 -2.613 417 H VAL 55 H VAL 55 -0.625 -15.529 -0.845 418 HA VAL 55 HA VAL 55 -3.398 -15.282 -0.143 419 HB VAL 55 HB VAL 55 -0.947 -13.718 0.708 420 HG11 VAL 55 1HG1 VAL 55 -2.289 -13.016 2.694 421 HG12 VAL 55 2HG1 VAL 55 -2.876 -12.287 1.199 422 HG13 VAL 55 3HG1 VAL 55 -3.750 -13.664 1.915 423 HG21 VAL 55 3HG2 VAL 55 -0.998 -16.140 1.310 424 HG22 VAL 55 1HG2 VAL 55 -1.103 -15.097 2.730 425 HG23 VAL 55 2HG2 VAL 55 -2.565 -15.893 2.104 426 H HIS 56 H HIS 56 -1.296 -13.138 -2.073 427 HA HIS 56 HA HIS 56 -3.265 -11.065 -2.412 428 HB2 HIS 56 1HB HIS 56 -0.893 -10.676 -2.779 429 HB3 HIS 56 2HB HIS 56 -0.870 -11.846 -4.101 430 HD1 HIS 56 1HD HIS 56 -2.437 -8.406 -3.299 431 HD2 HIS 56 2HD HIS 56 -1.636 -11.039 -6.477 432 HE1 HIS 56 1HE HIS 56 -3.177 -7.196 -5.393 433 H LEU 57 H LEU 57 -2.547 -13.956 -4.456 434 HA LEU 57 HA LEU 57 -4.573 -13.465 -6.445 435 HB2 LEU 57 1HB LEU 57 -3.216 -15.944 -5.385 436 HB3 LEU 57 2HB LEU 57 -4.360 -16.019 -6.714 437 HG LEU 57 HG LEU 57 -1.851 -14.284 -6.819 438 HD11 LEU 57 1HD1 LEU 57 -2.277 -17.128 -7.821 439 HD12 LEU 57 2HD1 LEU 57 -1.231 -16.638 -6.469 440 HD13 LEU 57 3HD1 LEU 57 -0.841 -16.115 -8.116 441 HD21 LEU 57 3HD2 LEU 57 -2.235 -14.560 -9.275 442 HD22 LEU 57 1HD2 LEU 57 -3.505 -13.632 -8.471 443 HD23 LEU 57 2HD2 LEU 57 -3.789 -15.332 -8.928 444 H ARG 58 H ARG 58 -4.724 -14.998 -3.259 445 HA ARG 58 HA ARG 58 -7.490 -15.811 -3.398 446 HB2 ARG 58 1HB ARG 58 -5.587 -15.291 -1.103 447 HB3 ARG 58 2HB ARG 58 -7.255 -15.795 -0.833 448 HG2 ARG 58 1HG ARG 58 -6.948 -17.907 -1.766 449 HG3 ARG 58 2HG ARG 58 -5.618 -17.394 -2.796 450 HD2 ARG 58 1HD ARG 58 -4.759 -18.860 -1.125 451 HD3 ARG 58 2HD ARG 58 -4.110 -17.235 -0.877 452 HE ARG 58 HE ARG 58 -6.412 -17.575 0.779 453 HH11 ARG 58 2HH1 ARG 58 -3.106 -18.741 0.535 454 HH12 ARG 58 1HH1 ARG 58 -2.973 -18.992 2.258 455 HH21 ARG 58 2HH2 ARG 58 -6.162 -17.919 2.980 456 HH22 ARG 58 1HH2 ARG 58 -4.661 -18.539 3.600 457 H LYS 59 H LYS 59 -6.286 -12.630 -3.371 458 HA LYS 59 HA LYS 59 -8.842 -11.459 -2.402 459 HB2 LYS 59 1HB LYS 59 -6.522 -10.037 -3.767 460 HB3 LYS 59 2HB LYS 59 -7.868 -9.316 -2.892 461 HG2 LYS 59 1HG LYS 59 -7.053 -10.438 -0.793 462 HG3 LYS 59 2HG LYS 59 -5.630 -10.995 -1.703 463 HD2 LYS 59 1HD LYS 59 -5.035 -8.661 -2.235 464 HD3 LYS 59 2HD LYS 59 -6.407 -8.077 -1.286 465 HE2 LYS 59 1HE LYS 59 -4.112 -9.773 -0.186 466 HE3 LYS 59 2HE LYS 59 -4.176 -8.009 -0.105 467 HZ1 LYS 59 3HZ LYS 59 -6.136 -9.835 1.180 468 HZ2 LYS 59 1HZ LYS 59 -6.216 -8.202 1.217 469 HZ3 LYS 59 2HZ LYS 59 -4.984 -8.975 1.949 470 H HIS 60 H HIS 60 -7.361 -12.439 -5.417 471 HA HIS 60 HA HIS 60 -9.244 -10.948 -7.124 472 HB2 HIS 60 1HB HIS 60 -6.949 -12.873 -7.679 473 HB3 HIS 60 2HB HIS 60 -7.980 -12.213 -8.931 474 HD1 HIS 60 1HD HIS 60 -8.060 -9.305 -8.798 475 HD2 HIS 60 2HD HIS 60 -4.753 -11.505 -7.404 476 HE1 HIS 60 1HE HIS 60 -6.104 -7.691 -8.834 477 H THR 61 H THR 61 -8.900 -14.269 -5.937 478 HA THR 61 HA THR 61 -10.472 -15.564 -7.885 479 HB THR 61 HB THR 61 -8.968 -16.681 -6.300 480 HG1 THR 61 1HG THR 61 -10.274 -18.491 -6.124 481 HG21 THR 61 3HG2 THR 61 -11.248 -16.499 -4.286 482 HG22 THR 61 1HG2 THR 61 -9.760 -15.537 -4.203 483 HG23 THR 61 2HG2 THR 61 -9.676 -17.303 -4.080 484 H GLY 62 H GLY 62 -12.577 -16.430 -7.895 485 HA2 GLY 62 1HA GLY 62 -14.536 -14.375 -7.348 486 HA3 GLY 62 2HA GLY 62 -14.812 -15.902 -8.173 487 H GLU 63 H GLU 63 -16.740 -14.874 -6.607 488 HA GLU 63 HA GLU 63 -16.814 -16.355 -4.048 489 HB2 GLU 63 1HB GLU 63 -17.517 -13.982 -4.091 490 HB3 GLU 63 2HB GLU 63 -18.781 -14.376 -5.266 491 HG2 GLU 63 1HG GLU 63 -19.903 -15.820 -3.632 492 HG3 GLU 63 2HG GLU 63 -18.571 -15.621 -2.489 493 H LYS 64 H LYS 64 -18.183 -17.994 -3.702 494 HA LYS 64 HA LYS 64 -19.458 -19.303 -6.064 495 HB2 LYS 64 1HB LYS 64 -18.989 -21.411 -5.173 496 HB3 LYS 64 2HB LYS 64 -17.508 -20.454 -5.202 497 HG2 LYS 64 1HG LYS 64 -17.774 -20.029 -2.728 498 HG3 LYS 64 2HG LYS 64 -19.239 -21.022 -2.752 499 HD2 LYS 64 1HD LYS 64 -17.534 -22.491 -2.017 500 HD3 LYS 64 2HD LYS 64 -17.880 -22.907 -3.696 501 HE2 LYS 64 1HE LYS 64 -15.516 -23.016 -3.434 502 HE3 LYS 64 2HE LYS 64 -15.859 -21.588 -4.412 503 HZ1 LYS 64 3HZ LYS 64 -15.548 -20.231 -2.395 504 HZ2 LYS 64 1HZ LYS 64 -14.220 -21.137 -2.665 505 HZ3 LYS 64 2HZ LYS 64 -15.268 -21.567 -1.492 506 H PHE 65 H PHE 65 -21.300 -20.480 -5.890 507 HA PHE 65 HA PHE 65 -23.231 -19.724 -3.743 508 HB2 PHE 65 1HB PHE 65 -23.797 -20.682 -6.566 509 HB3 PHE 65 2HB PHE 65 -24.960 -20.043 -5.411 510 HD1 PHE 65 2HD PHE 65 -24.256 -17.544 -4.498 511 HD2 PHE 65 1HD PHE 65 -23.104 -19.273 -8.278 512 HE1 PHE 65 2HE PHE 65 -23.845 -15.270 -5.418 513 HE2 PHE 65 1HE PHE 65 -22.717 -16.998 -9.198 514 HZ PHE 65 HZ PHE 65 -23.105 -14.998 -7.778 515 H ALA 66 H ALA 66 -24.705 -21.408 -3.034 516 HA ALA 66 HA ALA 66 -23.595 -24.174 -3.289 517 HB1 ALA 66 1HB ALA 66 -22.927 -23.077 -1.169 518 HB2 ALA 66 2HB ALA 66 -24.640 -22.806 -0.782 519 HB3 ALA 66 3HB ALA 66 -24.007 -24.462 -0.903 520 H CYS 67 H CYS 67 -24.941 -25.885 -3.272 521 HA CYS 67 HA CYS 67 -27.639 -25.609 -4.196 522 HB2 CYS 67 1HB CYS 67 -26.067 -27.398 -4.783 523 HB3 CYS 67 2HB CYS 67 -26.074 -27.980 -3.111 524 H ASP 68 H ASP 68 -29.555 -25.910 -3.198 525 HA ASP 68 HA ASP 68 -29.691 -25.520 -0.271 526 HB2 ASP 68 1HB ASP 68 -31.029 -24.166 -1.920 527 HB3 ASP 68 2HB ASP 68 -31.928 -25.628 -2.322 528 H TYR 69 H TYR 69 -29.540 -28.163 -2.318 529 HA TYR 69 HA TYR 69 -31.289 -29.916 -0.627 530 HB2 TYR 69 1HB TYR 69 -30.545 -30.123 -3.539 531 HB3 TYR 69 2HB TYR 69 -31.624 -31.207 -2.670 532 HD1 TYR 69 1HD TYR 69 -33.892 -30.469 -2.019 533 HD2 TYR 69 2HD TYR 69 -31.239 -27.922 -4.277 534 HE1 TYR 69 1HE TYR 69 -35.813 -29.016 -2.644 535 HE2 TYR 69 2HE TYR 69 -33.158 -26.460 -4.888 536 HH TYR 69 HH TYR 69 -35.410 -26.076 -4.661 537 H CYS 70 H CYS 70 -28.022 -29.553 -1.890 538 HA CYS 70 HA CYS 70 -27.145 -31.883 -0.348 539 HB2 CYS 70 1HB CYS 70 -25.999 -33.007 -2.074 540 HB3 CYS 70 2HB CYS 70 -27.658 -32.791 -2.593 541 H SER 71 H SER 71 -24.521 -31.998 -1.037 542 HA SER 71 HA SER 71 -23.418 -29.586 0.186 543 HB2 SER 71 1HB SER 71 -22.024 -32.119 -0.740 544 HB3 SER 71 2HB SER 71 -21.342 -30.861 0.309 545 HG SER 71 HG SER 71 -22.159 -32.643 1.510 546 H PHE 72 H PHE 72 -24.089 -30.158 -3.029 547 HA PHE 72 HA PHE 72 -21.667 -29.527 -4.373 548 HB2 PHE 72 1HB PHE 72 -23.592 -30.575 -5.434 549 HB3 PHE 72 2HB PHE 72 -24.563 -29.137 -5.165 550 HD1 PHE 72 1HD PHE 72 -21.656 -30.478 -7.091 551 HD2 PHE 72 2HD PHE 72 -24.538 -27.299 -6.686 552 HE1 PHE 72 1HE PHE 72 -21.005 -29.597 -9.323 553 HE2 PHE 72 2HE PHE 72 -23.892 -26.425 -8.920 554 HZ PHE 72 HZ PHE 72 -22.123 -27.575 -10.240 555 H THR 73 H THR 73 -20.796 -27.692 -5.258 556 HA THR 73 HA THR 73 -22.066 -25.061 -4.827 557 HB THR 73 HB THR 73 -19.884 -24.045 -4.230 558 HG1 THR 73 1HG THR 73 -18.287 -25.491 -3.386 559 HG21 THR 73 3HG2 THR 73 -20.721 -26.171 -2.216 560 HG22 THR 73 1HG2 THR 73 -21.499 -24.590 -2.435 561 HG23 THR 73 2HG2 THR 73 -19.822 -24.670 -1.888 562 H CYS 74 H CYS 74 -21.497 -23.453 -6.308 563 HA CYS 74 HA CYS 74 -19.548 -24.041 -8.432 564 HB2 CYS 74 1HB CYS 74 -21.738 -25.070 -9.164 565 HB3 CYS 74 2HB CYS 74 -22.451 -23.445 -9.158 566 HG CYS 74 HG CYS 74 -21.826 -24.306 -11.616 567 H LEU 75 H LEU 75 -18.815 -22.167 -9.537 568 HA LEU 75 HA LEU 75 -19.352 -19.583 -8.211 569 HB2 LEU 75 1HB LEU 75 -17.370 -20.490 -10.324 570 HB3 LEU 75 2HB LEU 75 -17.645 -18.797 -9.950 571 HG LEU 75 HG LEU 75 -17.082 -19.257 -7.536 572 HD11 LEU 75 1HD1 LEU 75 -15.627 -21.237 -7.090 573 HD12 LEU 75 2HD1 LEU 75 -16.079 -21.903 -8.673 574 HD13 LEU 75 3HD1 LEU 75 -17.300 -21.693 -7.396 575 HD21 LEU 75 3HD2 LEU 75 -14.926 -19.828 -9.608 576 HD22 LEU 75 1HD2 LEU 75 -14.664 -19.235 -7.951 577 HD23 LEU 75 2HD2 LEU 75 -15.510 -18.219 -9.127 578 H SER 76 H SER 76 -20.868 -21.256 -10.695 579 HA SER 76 HA SER 76 -21.979 -18.747 -11.898 580 HB2 SER 76 1HB SER 76 -20.897 -20.043 -13.600 581 HB3 SER 76 2HB SER 76 -21.679 -21.525 -13.045 582 HG SER 76 HG SER 76 -22.847 -19.281 -14.346 583 H LYS 77 H LYS 77 -23.954 -18.248 -11.316 584 HA LYS 77 HA LYS 77 -25.660 -19.954 -9.724 585 HB2 LYS 77 1HB LYS 77 -25.490 -17.404 -9.721 586 HB3 LYS 77 2HB LYS 77 -26.453 -17.413 -11.204 587 HG2 LYS 77 1HG LYS 77 -28.256 -18.653 -9.959 588 HG3 LYS 77 2HG LYS 77 -27.279 -18.560 -8.494 589 HD2 LYS 77 1HD LYS 77 -28.419 -16.218 -10.080 590 HD3 LYS 77 2HD LYS 77 -29.060 -16.834 -8.563 591 HE2 LYS 77 1HE LYS 77 -26.316 -15.542 -8.939 592 HE3 LYS 77 2HE LYS 77 -27.752 -14.742 -8.302 593 HZ1 LYS 77 3HZ LYS 77 -26.361 -17.032 -7.019 594 HZ2 LYS 77 1HZ LYS 77 -27.748 -16.359 -6.459 595 HZ3 LYS 77 2HZ LYS 77 -26.368 -15.490 -6.496 596 H GLY 78 H GLY 78 -25.497 -19.259 -13.185 597 HA2 GLY 78 1HA GLY 78 -27.955 -20.515 -14.003 598 HA3 GLY 78 2HA GLY 78 -26.520 -20.247 -15.005 599 H HIS 79 H HIS 79 -24.577 -21.796 -13.730 600 HA HIS 79 HA HIS 79 -25.328 -24.490 -14.470 601 HB2 HIS 79 1HB HIS 79 -22.907 -23.367 -13.037 602 HB3 HIS 79 2HB HIS 79 -23.090 -25.068 -13.460 603 HD1 HIS 79 1HD HIS 79 -22.687 -21.654 -15.233 604 HD2 HIS 79 2HD HIS 79 -22.657 -25.801 -15.964 605 HE1 HIS 79 1HE HIS 79 -21.840 -21.955 -17.624 606 H LEU 80 H LEU 80 -25.178 -22.826 -11.292 607 HA LEU 80 HA LEU 80 -25.810 -25.157 -9.752 608 HB2 LEU 80 1HB LEU 80 -24.905 -23.088 -8.774 609 HB3 LEU 80 2HB LEU 80 -26.375 -22.219 -9.211 610 HG LEU 80 HG LEU 80 -27.706 -23.633 -7.679 611 HD11 LEU 80 1HD1 LEU 80 -26.412 -25.726 -7.692 612 HD12 LEU 80 2HD1 LEU 80 -26.531 -25.101 -6.054 613 HD13 LEU 80 3HD1 LEU 80 -25.018 -24.890 -6.958 614 HD21 LEU 80 3HD2 LEU 80 -25.244 -22.510 -6.306 615 HD22 LEU 80 1HD2 LEU 80 -26.865 -22.722 -5.611 616 HD23 LEU 80 2HD2 LEU 80 -26.613 -21.530 -6.892 617 H LYS 81 H LYS 81 -27.968 -22.742 -11.347 618 HA LYS 81 HA LYS 81 -30.435 -23.950 -10.533 619 HB2 LYS 81 1HB LYS 81 -30.192 -21.681 -11.529 620 HB3 LYS 81 2HB LYS 81 -29.830 -22.412 -13.098 621 HG2 LYS 81 1HG LYS 81 -32.065 -23.490 -13.123 622 HG3 LYS 81 2HG LYS 81 -32.413 -22.810 -11.520 623 HD2 LYS 81 1HD LYS 81 -32.214 -20.517 -12.450 624 HD3 LYS 81 2HD LYS 81 -31.851 -21.198 -14.053 625 HE2 LYS 81 1HE LYS 81 -34.054 -22.353 -14.056 626 HE3 LYS 81 2HE LYS 81 -34.417 -21.675 -12.463 627 HZ1 LYS 81 3HZ LYS 81 -35.420 -20.353 -14.236 628 HZ2 LYS 81 1HZ LYS 81 -33.972 -20.076 -14.933 629 HZ3 LYS 81 2HZ LYS 81 -34.306 -19.450 -13.459 630 H VAL 82 H VAL 82 -28.391 -24.619 -13.404 631 HA VAL 82 HA VAL 82 -30.031 -26.730 -14.455 632 HB VAL 82 HB VAL 82 -27.061 -26.166 -14.749 633 HG11 VAL 82 1HG1 VAL 82 -27.346 -28.549 -15.215 634 HG12 VAL 82 2HG1 VAL 82 -28.776 -28.209 -16.224 635 HG13 VAL 82 3HG1 VAL 82 -27.154 -27.678 -16.736 636 HG21 VAL 82 3HG2 VAL 82 -29.416 -25.814 -16.665 637 HG22 VAL 82 1HG2 VAL 82 -28.663 -24.503 -15.746 638 HG23 VAL 82 2HG2 VAL 82 -27.724 -25.361 -16.970 639 H HIS 83 H HIS 83 -27.324 -26.905 -12.057 640 HA HIS 83 HA HIS 83 -27.437 -29.716 -11.631 641 HB2 HIS 83 1HB HIS 83 -25.624 -28.473 -10.710 642 HB3 HIS 83 2HB HIS 83 -26.690 -27.382 -9.840 643 HD1 HIS 83 1HD HIS 83 -25.239 -30.907 -9.530 644 HD2 HIS 83 2HD HIS 83 -27.688 -28.168 -7.493 645 HE1 HIS 83 1HE HIS 83 -25.559 -31.865 -7.203 646 H ILE 84 H ILE 84 -29.362 -27.117 -10.012 647 HA ILE 84 HA ILE 84 -30.853 -28.938 -8.370 648 HB ILE 84 HB ILE 84 -31.448 -26.104 -9.270 649 HG12 ILE 84 1HG1 ILE 84 -30.518 -27.195 -6.565 650 HG13 ILE 84 2HG1 ILE 84 -29.411 -26.585 -7.778 651 HG21 ILE 84 1HG2 ILE 84 -33.138 -26.056 -7.439 652 HG22 ILE 84 2HG2 ILE 84 -33.583 -27.215 -8.675 653 HG23 ILE 84 3HG2 ILE 84 -32.868 -27.788 -7.149 654 HD11 ILE 84 3HD1 ILE 84 -30.528 -24.359 -7.698 655 HD12 ILE 84 1HD1 ILE 84 -31.522 -24.949 -6.341 656 HD13 ILE 84 2HD1 ILE 84 -29.764 -24.854 -6.176 657 H GLU 85 H GLU 85 -31.638 -27.584 -11.607 658 HA GLU 85 HA GLU 85 -34.156 -28.935 -11.809 659 HB2 GLU 85 1HB GLU 85 -32.245 -27.765 -13.859 660 HB3 GLU 85 2HB GLU 85 -33.758 -28.517 -14.336 661 HG2 GLU 85 1HG GLU 85 -33.520 -26.154 -12.429 662 HG3 GLU 85 2HG GLU 85 -33.913 -26.050 -14.141 663 H ARG 86 H ARG 86 -30.885 -30.093 -12.607 664 HA ARG 86 HA ARG 86 -31.918 -32.544 -13.889 665 HB2 ARG 86 1HB ARG 86 -29.121 -31.568 -13.209 666 HB3 ARG 86 2HB ARG 86 -29.458 -33.155 -13.910 667 HG2 ARG 86 1HG ARG 86 -30.590 -32.092 -15.844 668 HG3 ARG 86 2HG ARG 86 -30.205 -30.488 -15.196 669 HD2 ARG 86 1HD ARG 86 -27.797 -31.006 -15.300 670 HD3 ARG 86 2HD ARG 86 -28.142 -32.628 -15.896 671 HE ARG 86 HE ARG 86 -28.221 -30.109 -17.399 672 HH11 ARG 86 2HH1 ARG 86 -29.256 -33.461 -17.505 673 HH12 ARG 86 1HH1 ARG 86 -29.462 -33.431 -19.233 674 HH21 ARG 86 2HH2 ARG 86 -28.514 -30.147 -19.595 675 HH22 ARG 86 1HH2 ARG 86 -29.051 -31.605 -20.376 676 H VAL 87 H VAL 87 -30.462 -31.773 -10.737 677 HA VAL 87 HA VAL 87 -30.507 -34.653 -10.006 678 HB VAL 87 HB VAL 87 -29.197 -32.326 -8.560 679 HG11 VAL 87 1HG1 VAL 87 -27.795 -34.095 -7.531 680 HG12 VAL 87 2HG1 VAL 87 -29.490 -34.288 -7.100 681 HG13 VAL 87 3HG1 VAL 87 -28.775 -35.340 -8.339 682 HG21 VAL 87 3HG2 VAL 87 -28.180 -32.570 -10.799 683 HG22 VAL 87 1HG2 VAL 87 -27.081 -33.187 -9.573 684 HG23 VAL 87 2HG2 VAL 87 -28.026 -34.323 -10.557 685 H HIS 88 H HIS 88 -32.136 -31.656 -9.049 686 HA HIS 88 HA HIS 88 -33.458 -33.103 -6.786 687 HB2 HIS 88 1HB HIS 88 -32.620 -30.196 -6.870 688 HB3 HIS 88 2HB HIS 88 -33.307 -31.068 -5.506 689 HD1 HIS 88 1HD HIS 88 -31.570 -33.308 -4.739 690 HD2 HIS 88 2HD HIS 88 -30.078 -29.920 -6.714 691 HE1 HIS 88 1HE HIS 88 -29.091 -33.207 -4.171 692 H LYS 89 H LYS 89 -34.356 -32.337 -9.665 693 HA LYS 89 HA LYS 89 -37.127 -31.594 -8.892 694 HB2 LYS 89 1HB LYS 89 -35.545 -30.288 -11.113 695 HB3 LYS 89 2HB LYS 89 -37.279 -30.118 -10.943 696 HG2 LYS 89 1HG LYS 89 -35.330 -29.241 -8.772 697 HG3 LYS 89 2HG LYS 89 -35.882 -28.187 -10.057 698 HD2 LYS 89 1HD LYS 89 -38.085 -28.120 -9.319 699 HD3 LYS 89 2HD LYS 89 -37.977 -29.606 -8.380 700 HE2 LYS 89 1HE LYS 89 -36.287 -27.201 -7.636 701 HE3 LYS 89 2HE LYS 89 -37.989 -27.270 -7.164 702 HZ1 LYS 89 3HZ LYS 89 -36.074 -29.444 -6.498 703 HZ2 LYS 89 1HZ LYS 89 -37.593 -29.269 -5.946 704 HZ3 LYS 89 2HZ LYS 89 -36.450 -28.203 -5.471 705 H LYS 90 H LYS 90 -38.716 -32.120 -10.530 706 HA LYS 90 HA LYS 90 -38.287 -34.727 -11.713 707 HB2 LYS 90 1HB LYS 90 -40.588 -34.635 -12.389 708 HB3 LYS 90 2HB LYS 90 -40.439 -34.077 -10.725 709 HG2 LYS 90 1HG LYS 90 -40.599 -31.712 -11.501 710 HG3 LYS 90 2HG LYS 90 -40.769 -32.265 -13.171 711 HD2 LYS 90 1HD LYS 90 -42.696 -32.935 -10.905 712 HD3 LYS 90 2HD LYS 90 -42.920 -31.642 -12.092 713 HE2 LYS 90 1HE LYS 90 -42.870 -33.327 -13.933 714 HE3 LYS 90 2HE LYS 90 -42.717 -34.619 -12.735 715 HZ1 LYS 90 3HZ LYS 90 -45.021 -32.752 -12.937 716 HZ2 LYS 90 1HZ LYS 90 -44.876 -33.942 -11.826 717 HZ3 LYS 90 2HZ LYS 90 -45.028 -34.312 -13.407 718 H ILE 91 H ILE 91 -38.555 -35.362 -13.882 719 HA ILE 91 HA ILE 91 -37.110 -33.811 -15.805 720 HB ILE 91 HB ILE 91 -37.674 -35.574 -17.398 721 HG12 ILE 91 1HG1 ILE 91 -39.236 -36.900 -15.129 722 HG13 ILE 91 2HG1 ILE 91 -39.955 -36.148 -16.556 723 HG21 ILE 91 1HG2 ILE 91 -36.295 -37.267 -16.349 724 HG22 ILE 91 2HG2 ILE 91 -35.731 -35.684 -15.822 725 HG23 ILE 91 3HG2 ILE 91 -36.710 -36.682 -14.726 726 HD11 ILE 91 3HD1 ILE 91 -38.710 -37.759 -18.007 727 HD12 ILE 91 1HD1 ILE 91 -38.157 -38.595 -16.535 728 HD13 ILE 91 2HD1 ILE 91 -39.886 -38.519 -16.911 729 H LYS 92 H LYS 92 -37.724 -32.868 -17.639 730 HA LYS 92 HA LYS 92 -40.500 -32.220 -18.324 731 HB2 LYS 92 1HB LYS 92 -40.200 -29.789 -17.994 732 HB3 LYS 92 2HB LYS 92 -40.192 -30.703 -16.490 733 HG2 LYS 92 1HG LYS 92 -37.688 -30.534 -16.407 734 HG3 LYS 92 2HG LYS 92 -37.717 -29.627 -17.921 735 HD2 LYS 92 1HD LYS 92 -37.479 -28.080 -16.075 736 HD3 LYS 92 2HD LYS 92 -39.041 -27.843 -16.851 737 HE2 LYS 92 1HE LYS 92 -39.385 -27.687 -14.499 738 HE3 LYS 92 2HE LYS 92 -40.120 -29.201 -15.023 739 HZ1 LYS 92 3HZ LYS 92 -38.798 -29.445 -12.989 740 HZ2 LYS 92 1HZ LYS 92 -37.448 -28.918 -13.738 741 HZ3 LYS 92 2HZ LYS 92 -38.128 -30.366 -14.162 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -2.442 31.003 12.540 2 H2 GLY 1 2H GLY 1 -2.038 30.857 10.958 3 H3 GLY 1 3H GLY 1 -2.124 29.525 11.908 4 HA2 GLY 1 1HA GLY 1 -4.494 29.792 12.195 5 HA3 GLY 1 2HA GLY 1 -4.408 31.252 11.191 6 H SER 2 H SER 2 -5.925 28.718 10.778 7 HA SER 2 HA SER 2 -4.671 27.044 8.851 8 HB2 SER 2 1HB SER 2 -6.972 26.170 8.494 9 HB3 SER 2 2HB SER 2 -6.492 26.257 10.197 10 HG SER 2 HG SER 2 -8.618 27.079 9.834 11 H SER 3 H SER 3 -6.189 30.139 8.351 12 HA SER 3 HA SER 3 -6.690 29.876 5.519 13 HB2 SER 3 1HB SER 3 -6.176 32.382 7.164 14 HB3 SER 3 2HB SER 3 -6.915 32.305 5.552 15 HG SER 3 HG SER 3 -8.491 32.443 7.218 16 H GLY 4 H GLY 4 -3.703 30.103 7.215 17 HA2 GLY 4 1HA GLY 4 -2.160 31.650 5.322 18 HA3 GLY 4 2HA GLY 4 -1.534 30.597 6.586 19 H SER 5 H SER 5 -0.417 30.880 3.993 20 HA SER 5 HA SER 5 -1.096 28.566 2.353 21 HB2 SER 5 1HB SER 5 0.883 29.312 1.012 22 HB3 SER 5 2HB SER 5 -0.391 30.518 1.216 23 HG SER 5 HG SER 5 2.091 30.392 2.627 24 H SER 6 H SER 6 0.198 26.792 1.883 25 HA SER 6 HA SER 6 2.451 26.094 3.706 26 HB2 SER 6 1HB SER 6 0.033 24.333 3.135 27 HB3 SER 6 2HB SER 6 1.510 23.815 3.967 28 HG SER 6 HG SER 6 -0.167 24.419 5.427 29 H GLY 7 H GLY 7 3.918 24.578 2.879 30 HA2 GLY 7 1HA GLY 7 4.213 24.437 -0.012 31 HA3 GLY 7 2HA GLY 7 5.250 23.684 1.196 32 H LYS 8 H LYS 8 4.553 22.443 -1.195 33 HA LYS 8 HA LYS 8 2.461 20.446 -0.785 34 HB2 LYS 8 1HB LYS 8 3.089 21.332 -3.011 35 HB3 LYS 8 2HB LYS 8 4.691 20.598 -2.864 36 HG2 LYS 8 1HG LYS 8 3.741 18.362 -2.901 37 HG3 LYS 8 2HG LYS 8 2.090 19.006 -2.776 38 HD2 LYS 8 1HD LYS 8 2.296 20.051 -4.988 39 HD3 LYS 8 2HD LYS 8 3.983 19.506 -5.116 40 HE2 LYS 8 1HE LYS 8 3.251 17.148 -4.993 41 HE3 LYS 8 2HE LYS 8 1.571 17.661 -4.793 42 HZ1 LYS 8 3HZ LYS 8 3.224 18.202 -7.204 43 HZ2 LYS 8 1HZ LYS 8 1.666 18.659 -7.008 44 HZ3 LYS 8 2HZ LYS 8 2.045 17.076 -7.101 45 H ILE 9 H ILE 9 2.740 18.213 -0.593 46 HA ILE 9 HA ILE 9 5.210 17.284 0.810 47 HB ILE 9 HB ILE 9 2.330 16.701 1.607 48 HG12 ILE 9 1HG1 ILE 9 4.452 18.366 3.049 49 HG13 ILE 9 2HG1 ILE 9 3.060 19.027 2.197 50 HG21 ILE 9 1HG2 ILE 9 4.962 15.822 2.858 51 HG22 ILE 9 2HG2 ILE 9 3.345 15.523 3.539 52 HG23 ILE 9 3HG2 ILE 9 3.785 14.778 2.022 53 HD11 ILE 9 3HD1 ILE 9 1.531 17.815 3.748 54 HD12 ILE 9 1HD1 ILE 9 2.956 17.373 4.728 55 HD13 ILE 9 2HD1 ILE 9 2.533 19.074 4.495 56 H PHE 10 H PHE 10 5.867 15.222 0.361 57 HA PHE 10 HA PHE 10 4.460 13.755 -1.843 58 HB2 PHE 10 1HB PHE 10 7.434 14.238 -1.404 59 HB3 PHE 10 2HB PHE 10 6.745 13.208 -2.647 60 HD1 PHE 10 1HD PHE 10 7.117 16.734 -1.524 61 HD2 PHE 10 2HD PHE 10 5.751 14.112 -4.663 62 HE1 PHE 10 1HE PHE 10 6.910 18.679 -3.055 63 HE2 PHE 10 2HE PHE 10 5.559 16.054 -6.198 64 HZ PHE 10 HZ PHE 10 6.149 18.335 -5.405 65 H THR 11 H THR 11 4.220 11.545 -1.584 66 HA THR 11 HA THR 11 5.322 10.324 0.915 67 HB THR 11 HB THR 11 2.483 10.086 -0.127 68 HG1 THR 11 1HG THR 11 1.965 11.387 1.615 69 HG21 THR 11 3HG2 THR 11 2.041 9.129 2.129 70 HG22 THR 11 1HG2 THR 11 3.784 9.173 2.475 71 HG23 THR 11 2HG2 THR 11 3.148 8.124 1.187 72 H CYS 12 H CYS 12 6.033 8.298 0.816 73 HA CYS 12 HA CYS 12 6.321 6.896 -1.710 74 HB2 CYS 12 1HB CYS 12 8.053 6.942 -0.012 75 HB3 CYS 12 2HB CYS 12 6.964 6.176 1.170 76 H GLU 13 H GLU 13 5.047 5.389 -2.563 77 HA GLU 13 HA GLU 13 2.593 4.539 -1.178 78 HB2 GLU 13 1HB GLU 13 1.890 3.645 -3.279 79 HB3 GLU 13 2HB GLU 13 2.513 5.275 -3.514 80 HG2 GLU 13 1HG GLU 13 4.670 4.309 -4.343 81 HG3 GLU 13 2HG GLU 13 3.997 2.687 -4.148 82 H TYR 14 H TYR 14 5.727 3.355 -1.188 83 HA TYR 14 HA TYR 14 4.911 0.485 -1.027 84 HB2 TYR 14 1HB TYR 14 7.622 1.766 -1.385 85 HB3 TYR 14 2HB TYR 14 7.303 0.043 -1.361 86 HD1 TYR 14 2HD TYR 14 5.999 -1.030 -3.224 87 HD2 TYR 14 1HD TYR 14 7.278 3.089 -3.368 88 HE1 TYR 14 2HE TYR 14 5.688 -1.022 -5.695 89 HE2 TYR 14 1HE TYR 14 6.967 3.093 -5.846 90 HH TYR 14 HH TYR 14 5.834 0.201 -7.631 91 H CYS 15 H CYS 15 6.480 3.030 0.914 92 HA CYS 15 HA CYS 15 6.248 1.247 3.275 93 HB2 CYS 15 1HB CYS 15 8.386 1.827 4.126 94 HB3 CYS 15 2HB CYS 15 8.546 1.103 2.528 95 H ASN 16 H ASN 16 4.994 3.924 2.087 96 HA ASN 16 HA ASN 16 3.872 5.680 2.864 97 HB2 ASN 16 1HB ASN 16 2.849 3.730 4.070 98 HB3 ASN 16 2HB ASN 16 3.768 4.199 5.502 99 HD21 ASN 16 1HD2 ASN 16 1.522 5.659 3.058 100 HD22 ASN 16 2HD2 ASN 16 0.651 6.600 4.256 101 H LYS 17 H LYS 17 6.920 5.706 3.433 102 HA LYS 17 HA LYS 17 7.315 7.735 5.453 103 HB2 LYS 17 1HB LYS 17 8.897 6.849 3.017 104 HB3 LYS 17 2HB LYS 17 9.446 8.161 4.082 105 HG2 LYS 17 1HG LYS 17 9.505 6.642 6.003 106 HG3 LYS 17 2HG LYS 17 8.844 5.336 5.001 107 HD2 LYS 17 1HD LYS 17 10.860 5.651 3.455 108 HD3 LYS 17 2HD LYS 17 11.517 6.777 4.636 109 HE2 LYS 17 1HE LYS 17 12.519 4.565 4.802 110 HE3 LYS 17 2HE LYS 17 11.696 5.011 6.302 111 HZ1 LYS 17 3HZ LYS 17 11.257 2.671 5.461 112 HZ2 LYS 17 1HZ LYS 17 10.375 3.330 4.230 113 HZ3 LYS 17 2HZ LYS 17 9.911 3.542 5.771 114 H VAL 18 H VAL 18 7.728 9.890 5.210 115 HA VAL 18 HA VAL 18 6.348 11.265 2.932 116 HB VAL 18 HB VAL 18 6.322 12.088 5.855 117 HG11 VAL 18 1HG1 VAL 18 6.187 14.047 4.371 118 HG12 VAL 18 2HG1 VAL 18 4.933 13.238 3.398 119 HG13 VAL 18 3HG1 VAL 18 4.603 13.730 5.073 120 HG21 VAL 18 3HG2 VAL 18 3.897 11.578 5.742 121 HG22 VAL 18 1HG2 VAL 18 4.106 10.945 4.096 122 HG23 VAL 18 2HG2 VAL 18 4.861 10.125 5.481 123 H PHE 19 H PHE 19 7.275 12.963 2.016 124 HA PHE 19 HA PHE 19 9.952 13.917 2.913 125 HB2 PHE 19 1HB PHE 19 9.146 13.056 0.106 126 HB3 PHE 19 2HB PHE 19 10.707 13.701 0.586 127 HD1 PHE 19 2HD PHE 19 12.289 12.336 1.957 128 HD2 PHE 19 1HD PHE 19 8.530 10.738 0.578 129 HE1 PHE 19 2HE PHE 19 13.037 10.047 2.567 130 HE2 PHE 19 1HE PHE 19 9.284 8.453 1.180 131 HZ PHE 19 HZ PHE 19 11.525 8.100 2.219 132 H LYS 20 H LYS 20 10.527 15.996 2.270 133 HA LYS 20 HA LYS 20 8.312 17.862 2.008 134 HB2 LYS 20 1HB LYS 20 10.324 18.105 3.480 135 HB3 LYS 20 2HB LYS 20 11.295 18.436 2.041 136 HG2 LYS 20 1HG LYS 20 9.939 20.419 1.537 137 HG3 LYS 20 2HG LYS 20 8.824 20.047 2.858 138 HD2 LYS 20 1HD LYS 20 11.782 20.682 3.210 139 HD3 LYS 20 2HD LYS 20 10.471 21.869 3.331 140 HE2 LYS 20 1HE LYS 20 9.455 20.549 5.188 141 HE3 LYS 20 2HE LYS 20 10.802 19.407 5.106 142 HZ1 LYS 20 3HZ LYS 20 12.305 21.244 5.668 143 HZ2 LYS 20 1HZ LYS 20 11.168 21.077 6.824 144 HZ3 LYS 20 2HZ LYS 20 11.058 22.297 5.748 145 H PHE 21 H PHE 21 10.549 16.507 -0.302 146 HA PHE 21 HA PHE 21 9.505 18.322 -2.431 147 HB2 PHE 21 1HB PHE 21 12.417 17.548 -2.054 148 HB3 PHE 21 2HB PHE 21 11.755 18.561 -3.327 149 HD1 PHE 21 2HD PHE 21 10.529 20.765 -2.594 150 HD2 PHE 21 1HD PHE 21 13.255 18.558 -0.082 151 HE1 PHE 21 2HE PHE 21 10.902 22.794 -1.210 152 HE2 PHE 21 1HE PHE 21 13.635 20.592 1.291 153 HZ PHE 21 HZ PHE 21 12.457 22.712 0.732 154 H LYS 22 H LYS 22 9.576 17.570 -4.538 155 HA LYS 22 HA LYS 22 8.937 14.858 -4.999 156 HB2 LYS 22 1HB LYS 22 8.368 16.932 -6.384 157 HB3 LYS 22 2HB LYS 22 9.989 16.843 -7.068 158 HG2 LYS 22 1HG LYS 22 9.483 14.564 -7.943 159 HG3 LYS 22 2HG LYS 22 7.871 14.644 -7.201 160 HD2 LYS 22 1HD LYS 22 7.354 16.652 -8.603 161 HD3 LYS 22 2HD LYS 22 8.949 16.500 -9.374 162 HE2 LYS 22 1HE LYS 22 8.329 14.205 -10.141 163 HE3 LYS 22 2HE LYS 22 6.735 14.397 -9.393 164 HZ1 LYS 22 3HZ LYS 22 6.326 16.263 -10.915 165 HZ2 LYS 22 1HZ LYS 22 6.672 14.916 -11.768 166 HZ3 LYS 22 2HZ LYS 22 7.798 16.083 -11.604 167 H HIS 23 H HIS 23 12.053 16.539 -5.496 168 HA HIS 23 HA HIS 23 13.410 14.302 -6.653 169 HB2 HIS 23 1HB HIS 23 15.463 15.567 -6.179 170 HB3 HIS 23 2HB HIS 23 14.232 16.506 -7.005 171 HD1 HIS 23 1HD HIS 23 13.679 18.819 -5.924 172 HD2 HIS 23 2HD HIS 23 15.768 16.156 -3.420 173 HE1 HIS 23 1HE HIS 23 14.319 20.145 -3.843 174 H SER 24 H SER 24 12.924 15.203 -3.230 175 HA SER 24 HA SER 24 14.749 13.264 -2.139 176 HB2 SER 24 1HB SER 24 12.258 14.482 -0.895 177 HB3 SER 24 2HB SER 24 13.544 13.607 -0.040 178 HG SER 24 HG SER 24 13.958 15.809 0.108 179 H LEU 25 H LEU 25 11.203 13.114 -2.828 180 HA LEU 25 HA LEU 25 10.958 10.358 -2.044 181 HB2 LEU 25 1HB LEU 25 9.007 11.797 -2.177 182 HB3 LEU 25 2HB LEU 25 9.273 12.078 -3.901 183 HG LEU 25 HG LEU 25 8.827 9.698 -4.389 184 HD11 LEU 25 1HD1 LEU 25 7.892 8.202 -2.682 185 HD12 LEU 25 2HD1 LEU 25 8.167 9.423 -1.423 186 HD13 LEU 25 3HD1 LEU 25 9.537 8.650 -2.249 187 HD21 LEU 25 3HD2 LEU 25 6.962 11.324 -4.377 188 HD22 LEU 25 1HD2 LEU 25 6.639 10.902 -2.675 189 HD23 LEU 25 2HD2 LEU 25 6.445 9.684 -3.947 190 H GLN 26 H GLN 26 11.618 11.851 -5.280 191 HA GLN 26 HA GLN 26 11.685 9.397 -6.728 192 HB2 GLN 26 1HB GLN 26 12.993 12.100 -7.142 193 HB3 GLN 26 2HB GLN 26 13.275 10.784 -8.264 194 HG2 GLN 26 1HG GLN 26 10.504 11.849 -7.529 195 HG3 GLN 26 2HG GLN 26 11.418 12.348 -8.946 196 HE21 GLN 26 1HE2 GLN 26 8.834 11.251 -9.207 197 HE22 GLN 26 2HE2 GLN 26 9.001 9.682 -9.983 198 H ALA 27 H ALA 27 14.361 11.025 -4.957 199 HA ALA 27 HA ALA 27 16.301 9.005 -5.664 200 HB1 ALA 27 1HB ALA 27 16.878 11.299 -5.038 201 HB2 ALA 27 2HB ALA 27 16.247 11.023 -3.394 202 HB3 ALA 27 3HB ALA 27 17.667 10.116 -3.970 203 H HIS 28 H HIS 28 13.984 9.295 -2.945 204 HA HIS 28 HA HIS 28 14.946 6.995 -1.491 205 HB2 HIS 28 1HB HIS 28 13.547 8.594 -0.375 206 HB3 HIS 28 2HB HIS 28 12.279 8.448 -1.591 207 HD1 HIS 28 1HD HIS 28 13.970 6.102 1.001 208 HD2 HIS 28 2HD HIS 28 10.413 6.697 -1.159 209 HE1 HIS 28 1HE HIS 28 12.391 4.277 1.761 210 H LEU 29 H LEU 29 12.468 7.366 -4.058 211 HA LEU 29 HA LEU 29 11.435 4.762 -4.024 212 HB2 LEU 29 1HB LEU 29 11.653 6.905 -6.149 213 HB3 LEU 29 2HB LEU 29 10.942 5.354 -6.550 214 HG LEU 29 HG LEU 29 9.902 7.050 -4.245 215 HD11 LEU 29 1HD1 LEU 29 9.672 8.295 -6.363 216 HD12 LEU 29 2HD1 LEU 29 8.098 7.720 -5.798 217 HD13 LEU 29 3HD1 LEU 29 8.922 6.879 -7.129 218 HD21 LEU 29 3HD2 LEU 29 9.250 4.673 -4.134 219 HD22 LEU 29 1HD2 LEU 29 8.693 4.739 -5.817 220 HD23 LEU 29 2HD2 LEU 29 7.866 5.680 -4.554 221 H ARG 30 H ARG 30 14.577 5.646 -5.211 222 HA ARG 30 HA ARG 30 15.097 3.617 -7.113 223 HB2 ARG 30 1HB ARG 30 16.924 4.792 -4.975 224 HB3 ARG 30 2HB ARG 30 17.476 3.816 -6.340 225 HG2 ARG 30 1HG ARG 30 16.566 5.473 -7.938 226 HG3 ARG 30 2HG ARG 30 16.043 6.500 -6.598 227 HD2 ARG 30 1HD ARG 30 18.919 5.678 -7.172 228 HD3 ARG 30 2HD ARG 30 18.190 7.236 -7.597 229 HE ARG 30 HE ARG 30 17.752 6.899 -4.840 230 HH11 ARG 30 2HH1 ARG 30 20.574 7.335 -6.877 231 HH12 ARG 30 1HH1 ARG 30 21.502 8.043 -5.582 232 HH21 ARG 30 2HH2 ARG 30 18.978 7.748 -3.250 233 HH22 ARG 30 1HH2 ARG 30 20.607 8.279 -3.568 234 H ILE 31 H ILE 31 14.756 3.168 -3.613 235 HA ILE 31 HA ILE 31 15.875 0.468 -3.664 236 HB ILE 31 HB ILE 31 15.346 0.295 -1.437 237 HG12 ILE 31 1HG1 ILE 31 13.527 2.715 -1.613 238 HG13 ILE 31 2HG1 ILE 31 13.063 1.042 -1.327 239 HG21 ILE 31 1HG2 ILE 31 16.623 2.096 -0.484 240 HG22 ILE 31 2HG2 ILE 31 17.225 1.838 -2.123 241 HG23 ILE 31 3HG2 ILE 31 16.145 3.210 -1.780 242 HD11 ILE 31 3HD1 ILE 31 13.011 2.132 0.778 243 HD12 ILE 31 1HD1 ILE 31 14.422 1.054 0.777 244 HD13 ILE 31 2HD1 ILE 31 14.637 2.811 0.558 245 H HIS 32 H HIS 32 12.824 1.783 -4.395 246 HA HIS 32 HA HIS 32 11.359 -0.785 -4.005 247 HB2 HIS 32 1HB HIS 32 10.314 2.018 -4.511 248 HB3 HIS 32 2HB HIS 32 9.350 0.585 -4.190 249 HD1 HIS 32 1HD HIS 32 10.199 -0.575 -1.571 250 HD2 HIS 32 2HD HIS 32 10.381 3.523 -2.454 251 HE1 HIS 32 1HE HIS 32 10.057 0.623 0.668 252 H THR 33 H THR 33 12.375 1.449 -6.603 253 HA THR 33 HA THR 33 10.561 0.390 -8.581 254 HB THR 33 HB THR 33 12.053 1.607 -10.204 255 HG1 THR 33 1HG THR 33 13.650 2.896 -9.339 256 HG21 THR 33 3HG2 THR 33 11.467 3.861 -9.383 257 HG22 THR 33 1HG2 THR 33 11.063 3.183 -7.791 258 HG23 THR 33 2HG2 THR 33 10.117 2.726 -9.219 259 H ASN 34 H ASN 34 13.534 -0.887 -7.410 260 HA ASN 34 HA ASN 34 14.315 -2.429 -9.706 261 HB2 ASN 34 1HB ASN 34 15.476 -3.872 -7.923 262 HB3 ASN 34 2HB ASN 34 15.975 -2.196 -8.117 263 HD21 ASN 34 1HD2 ASN 34 13.142 -3.496 -6.244 264 HD22 ASN 34 2HD2 ASN 34 13.728 -2.767 -4.740 265 H GLU 35 H GLU 35 14.085 -4.572 -10.194 266 HA GLU 35 HA GLU 35 11.401 -5.437 -10.221 267 HB2 GLU 35 1HB GLU 35 13.848 -7.033 -11.073 268 HB3 GLU 35 2HB GLU 35 12.183 -7.259 -11.591 269 HG2 GLU 35 1HG GLU 35 12.846 -6.093 -13.385 270 HG3 GLU 35 2HG GLU 35 12.447 -4.702 -12.391 271 H LYS 36 H LYS 36 10.562 -7.585 -9.869 272 HA LYS 36 HA LYS 36 11.531 -9.029 -7.437 273 HB2 LYS 36 1HB LYS 36 8.635 -8.325 -8.068 274 HB3 LYS 36 2HB LYS 36 9.193 -9.350 -6.761 275 HG2 LYS 36 1HG LYS 36 8.808 -7.408 -5.621 276 HG3 LYS 36 2HG LYS 36 10.536 -7.245 -5.957 277 HD2 LYS 36 1HD LYS 36 9.962 -5.774 -7.913 278 HD3 LYS 36 2HD LYS 36 8.251 -5.963 -7.545 279 HE2 LYS 36 1HE LYS 36 8.509 -4.789 -5.441 280 HE3 LYS 36 2HE LYS 36 10.276 -4.847 -5.571 281 HZ1 LYS 36 3HZ LYS 36 10.153 -3.455 -7.527 282 HZ2 LYS 36 1HZ LYS 36 9.460 -2.673 -6.295 283 HZ3 LYS 36 2HZ LYS 36 8.509 -3.360 -7.444 284 HA PRO 37 HA PRO 37 10.879 -12.511 -10.205 285 HB2 PRO 37 1HB PRO 37 10.762 -14.595 -8.377 286 HB3 PRO 37 2HB PRO 37 12.248 -13.812 -8.957 287 HG2 PRO 37 1HG PRO 37 10.758 -13.331 -6.380 288 HG3 PRO 37 2HG PRO 37 12.522 -13.425 -6.640 289 HD2 PRO 37 1HD PRO 37 11.157 -11.050 -6.407 290 HD3 PRO 37 2HD PRO 37 12.609 -11.222 -7.407 291 H TYR 38 H TYR 38 8.794 -12.321 -7.290 292 HA TYR 38 HA TYR 38 6.688 -13.826 -8.686 293 HB2 TYR 38 1HB TYR 38 6.873 -12.951 -5.800 294 HB3 TYR 38 2HB TYR 38 5.600 -13.952 -6.481 295 HD1 TYR 38 1HD TYR 38 6.250 -16.242 -7.523 296 HD2 TYR 38 2HD TYR 38 8.915 -13.885 -5.121 297 HE1 TYR 38 1HE TYR 38 7.731 -18.223 -7.197 298 HE2 TYR 38 2HE TYR 38 10.386 -15.825 -4.759 299 HH TYR 38 HH TYR 38 10.725 -18.075 -5.228 300 H LYS 39 H LYS 39 5.272 -12.811 -9.818 301 HA LYS 39 HA LYS 39 4.294 -10.043 -9.255 302 HB2 LYS 39 1HB LYS 39 5.303 -11.351 -11.796 303 HB3 LYS 39 2HB LYS 39 4.308 -9.894 -11.805 304 HG2 LYS 39 1HG LYS 39 5.901 -8.625 -10.585 305 HG3 LYS 39 2HG LYS 39 6.877 -10.034 -10.170 306 HD2 LYS 39 1HD LYS 39 6.495 -8.990 -13.002 307 HD3 LYS 39 2HD LYS 39 7.829 -8.568 -11.910 308 HE2 LYS 39 1HE LYS 39 8.426 -10.994 -11.724 309 HE3 LYS 39 2HE LYS 39 7.162 -11.379 -12.898 310 HZ1 LYS 39 3HZ LYS 39 9.528 -9.661 -13.426 311 HZ2 LYS 39 1HZ LYS 39 8.355 -9.988 -14.519 312 HZ3 LYS 39 2HZ LYS 39 9.322 -11.184 -13.974 313 H CYS 40 H CYS 40 2.142 -9.660 -9.744 314 HA CYS 40 HA CYS 40 0.358 -11.921 -9.749 315 HB2 CYS 40 1HB CYS 40 -0.056 -9.910 -8.495 316 HB3 CYS 40 2HB CYS 40 -0.123 -8.947 -9.981 317 HA PRO 41 HA PRO 41 -0.212 -12.065 -14.252 318 HB2 PRO 41 1HB PRO 41 -2.139 -13.974 -14.409 319 HB3 PRO 41 2HB PRO 41 -0.459 -14.354 -13.924 320 HG2 PRO 41 1HG PRO 41 -2.851 -13.880 -12.115 321 HG3 PRO 41 2HG PRO 41 -1.674 -15.229 -12.061 322 HD2 PRO 41 1HD PRO 41 -1.458 -12.991 -10.485 323 HD3 PRO 41 2HD PRO 41 -0.025 -13.873 -11.087 324 H GLN 42 H GLN 42 -2.447 -10.867 -11.909 325 HA GLN 42 HA GLN 42 -4.416 -10.051 -14.019 326 HB2 GLN 42 1HB GLN 42 -4.814 -10.757 -11.096 327 HB3 GLN 42 2HB GLN 42 -6.039 -9.967 -12.096 328 HG2 GLN 42 1HG GLN 42 -5.927 -11.868 -13.716 329 HG3 GLN 42 2HG GLN 42 -4.800 -12.697 -12.642 330 HE21 GLN 42 1HE2 GLN 42 -5.625 -13.595 -10.623 331 HE22 GLN 42 2HE2 GLN 42 -7.360 -13.736 -10.378 332 H CYS 43 H CYS 43 -2.327 -8.670 -11.454 333 HA CYS 43 HA CYS 43 -3.144 -6.018 -12.471 334 HB2 CYS 43 1HB CYS 43 -3.577 -5.118 -10.290 335 HB3 CYS 43 2HB CYS 43 -4.630 -6.495 -10.567 336 H SER 44 H SER 44 -1.753 -4.321 -11.074 337 HA SER 44 HA SER 44 0.956 -4.685 -11.957 338 HB2 SER 44 1HB SER 44 -0.194 -2.532 -10.146 339 HB3 SER 44 2HB SER 44 1.325 -2.450 -11.058 340 HG SER 44 HG SER 44 -0.396 -1.387 -12.148 341 H TYR 45 H TYR 45 -0.397 -6.008 -9.226 342 HA TYR 45 HA TYR 45 1.420 -5.447 -7.132 343 HB2 TYR 45 1HB TYR 45 -0.780 -6.392 -6.798 344 HB3 TYR 45 2HB TYR 45 -0.374 -7.812 -7.752 345 HD1 TYR 45 1HD TYR 45 1.196 -9.557 -6.792 346 HD2 TYR 45 2HD TYR 45 -0.091 -6.140 -4.486 347 HE1 TYR 45 1HE TYR 45 1.932 -10.686 -4.707 348 HE2 TYR 45 2HE TYR 45 0.647 -7.280 -2.401 349 HH TYR 45 HH TYR 45 1.550 -9.173 -1.485 350 H ALA 46 H ALA 46 3.202 -6.367 -6.385 351 HA ALA 46 HA ALA 46 4.169 -8.946 -7.296 352 HB1 ALA 46 1HB ALA 46 5.197 -7.326 -8.925 353 HB2 ALA 46 2HB ALA 46 6.009 -6.536 -7.560 354 HB3 ALA 46 3HB ALA 46 6.370 -8.239 -7.966 355 H SER 47 H SER 47 5.636 -9.904 -5.806 356 HA SER 47 HA SER 47 5.563 -8.628 -3.076 357 HB2 SER 47 1HB SER 47 5.094 -10.867 -2.249 358 HB3 SER 47 2HB SER 47 3.894 -10.412 -3.477 359 HG SER 47 HG SER 47 4.901 -12.587 -3.657 360 H ALA 48 H ALA 48 7.584 -10.492 -5.254 361 HA ALA 48 HA ALA 48 9.583 -11.524 -5.095 362 HB1 ALA 48 1HB ALA 48 11.352 -10.706 -3.759 363 HB2 ALA 48 2HB ALA 48 10.444 -9.316 -4.399 364 HB3 ALA 48 3HB ALA 48 10.245 -9.822 -2.697 365 H ILE 49 H ILE 49 7.159 -12.307 -3.202 366 HA ILE 49 HA ILE 49 8.573 -14.598 -1.965 367 HB ILE 49 HB ILE 49 6.497 -12.984 -0.436 368 HG12 ILE 49 1HG1 ILE 49 9.521 -13.056 -0.060 369 HG13 ILE 49 2HG1 ILE 49 8.551 -11.658 -0.526 370 HG21 ILE 49 1HG2 ILE 49 6.598 -15.465 0.023 371 HG22 ILE 49 2HG2 ILE 49 8.318 -15.277 0.430 372 HG23 ILE 49 3HG2 ILE 49 7.053 -14.504 1.411 373 HD11 ILE 49 3HD1 ILE 49 7.359 -11.799 1.685 374 HD12 ILE 49 1HD1 ILE 49 8.561 -13.021 2.176 375 HD13 ILE 49 2HD1 ILE 49 9.085 -11.383 1.766 376 H LYS 50 H LYS 50 7.663 -16.392 -2.607 377 HA LYS 50 HA LYS 50 5.428 -16.575 -4.323 378 HB2 LYS 50 1HB LYS 50 7.364 -18.179 -4.064 379 HB3 LYS 50 2HB LYS 50 6.607 -18.801 -2.599 380 HG2 LYS 50 1HG LYS 50 4.580 -19.418 -3.961 381 HG3 LYS 50 2HG LYS 50 5.418 -18.862 -5.414 382 HD2 LYS 50 1HD LYS 50 6.351 -21.109 -3.569 383 HD3 LYS 50 2HD LYS 50 5.492 -21.331 -5.098 384 HE2 LYS 50 1HE LYS 50 7.348 -20.240 -6.322 385 HE3 LYS 50 2HE LYS 50 8.225 -20.000 -4.805 386 HZ1 LYS 50 3HZ LYS 50 7.500 -22.644 -5.953 387 HZ2 LYS 50 1HZ LYS 50 8.304 -22.423 -4.546 388 HZ3 LYS 50 2HZ LYS 50 8.993 -21.985 -5.956 389 H ALA 51 H ALA 51 5.576 -17.357 -0.841 390 HA ALA 51 HA ALA 51 2.886 -18.198 -0.527 391 HB1 ALA 51 1HB ALA 51 4.704 -18.641 1.083 392 HB2 ALA 51 2HB ALA 51 4.793 -16.908 1.481 393 HB3 ALA 51 3HB ALA 51 3.335 -17.843 1.876 394 H ASN 52 H ASN 52 4.272 -14.903 -0.414 395 HA ASN 52 HA ASN 52 1.846 -13.664 0.577 396 HB2 ASN 52 1HB ASN 52 4.247 -12.831 0.805 397 HB3 ASN 52 2HB ASN 52 4.173 -12.372 -0.897 398 HD21 ASN 52 1HD2 ASN 52 4.750 -10.251 0.289 399 HD22 ASN 52 2HD2 ASN 52 3.384 -9.278 0.804 400 H LEU 53 H LEU 53 3.236 -14.154 -2.712 401 HA LEU 53 HA LEU 53 1.098 -12.872 -4.127 402 HB2 LEU 53 1HB LEU 53 3.257 -13.339 -5.157 403 HB3 LEU 53 2HB LEU 53 3.029 -15.075 -4.940 404 HG LEU 53 HG LEU 53 1.126 -15.044 -6.528 405 HD11 LEU 53 1HD1 LEU 53 0.696 -13.058 -7.913 406 HD12 LEU 53 2HD1 LEU 53 1.832 -12.101 -6.934 407 HD13 LEU 53 3HD1 LEU 53 0.320 -12.719 -6.227 408 HD21 LEU 53 3HD2 LEU 53 2.417 -14.668 -8.551 409 HD22 LEU 53 1HD2 LEU 53 3.442 -15.432 -7.321 410 HD23 LEU 53 2HD2 LEU 53 3.596 -13.690 -7.657 411 H ASN 54 H ASN 54 1.501 -16.250 -2.996 412 HA ASN 54 HA ASN 54 -0.839 -17.345 -4.149 413 HB2 ASN 54 1HB ASN 54 1.143 -18.496 -3.009 414 HB3 ASN 54 2HB ASN 54 0.400 -18.083 -1.464 415 HD21 ASN 54 1HD2 ASN 54 0.456 -20.433 -1.101 416 HD22 ASN 54 2HD2 ASN 54 -0.788 -21.430 -1.834 417 H VAL 55 H VAL 55 -0.487 -15.501 -1.102 418 HA VAL 55 HA VAL 55 -3.343 -15.686 -0.435 419 HB VAL 55 HB VAL 55 -1.115 -13.992 0.705 420 HG11 VAL 55 1HG1 VAL 55 -2.642 -13.639 2.647 421 HG12 VAL 55 2HG1 VAL 55 -3.234 -12.856 1.183 422 HG13 VAL 55 3HG1 VAL 55 -3.963 -14.387 1.721 423 HG21 VAL 55 3HG2 VAL 55 -1.236 -15.563 2.600 424 HG22 VAL 55 1HG2 VAL 55 -2.514 -16.484 1.770 425 HG23 VAL 55 2HG2 VAL 55 -0.868 -16.427 1.108 426 H HIS 56 H HIS 56 -1.282 -13.285 -2.106 427 HA HIS 56 HA HIS 56 -3.285 -11.263 -2.362 428 HB2 HIS 56 1HB HIS 56 -0.969 -10.779 -2.835 429 HB3 HIS 56 2HB HIS 56 -0.921 -11.987 -4.123 430 HD1 HIS 56 1HD HIS 56 -2.626 -8.587 -3.426 431 HD2 HIS 56 2HD HIS 56 -1.755 -11.303 -6.512 432 HE1 HIS 56 1HE HIS 56 -3.464 -7.501 -5.551 433 H LEU 57 H LEU 57 -2.639 -14.089 -4.505 434 HA LEU 57 HA LEU 57 -4.571 -13.459 -6.501 435 HB2 LEU 57 1HB LEU 57 -3.498 -16.056 -5.419 436 HB3 LEU 57 2HB LEU 57 -4.571 -16.014 -6.810 437 HG LEU 57 HG LEU 57 -1.939 -14.470 -6.760 438 HD11 LEU 57 1HD1 LEU 57 -1.509 -16.857 -6.384 439 HD12 LEU 57 2HD1 LEU 57 -0.981 -16.355 -8.002 440 HD13 LEU 57 3HD1 LEU 57 -2.500 -17.269 -7.804 441 HD21 LEU 57 3HD2 LEU 57 -2.186 -14.668 -9.225 442 HD22 LEU 57 1HD2 LEU 57 -3.496 -13.729 -8.497 443 HD23 LEU 57 2HD2 LEU 57 -3.778 -15.414 -9.004 444 H ARG 58 H ARG 58 -5.027 -14.963 -3.339 445 HA ARG 58 HA ARG 58 -7.825 -15.653 -3.655 446 HB2 ARG 58 1HB ARG 58 -6.141 -15.130 -1.173 447 HB3 ARG 58 2HB ARG 58 -7.797 -15.715 -1.128 448 HG2 ARG 58 1HG ARG 58 -7.261 -17.760 -2.197 449 HG3 ARG 58 2HG ARG 58 -5.653 -17.206 -2.680 450 HD2 ARG 58 1HD ARG 58 -4.842 -17.229 -0.408 451 HD3 ARG 58 2HD ARG 58 -6.474 -17.413 0.235 452 HE ARG 58 HE ARG 58 -6.313 -19.677 -0.008 453 HH11 ARG 58 2HH1 ARG 58 -3.916 -18.352 -2.219 454 HH12 ARG 58 1HH1 ARG 58 -3.334 -19.917 -2.669 455 HH21 ARG 58 2HH2 ARG 58 -5.526 -21.654 -0.643 456 HH22 ARG 58 1HH2 ARG 58 -4.253 -21.741 -1.825 457 H LYS 59 H LYS 59 -6.431 -12.545 -3.474 458 HA LYS 59 HA LYS 59 -8.896 -11.237 -2.469 459 HB2 LYS 59 1HB LYS 59 -6.406 -9.942 -3.647 460 HB3 LYS 59 2HB LYS 59 -7.709 -9.158 -2.760 461 HG2 LYS 59 1HG LYS 59 -7.120 -10.506 -0.735 462 HG3 LYS 59 2HG LYS 59 -5.740 -11.187 -1.620 463 HD2 LYS 59 1HD LYS 59 -4.823 -8.914 -1.957 464 HD3 LYS 59 2HD LYS 59 -6.150 -8.226 -1.014 465 HE2 LYS 59 1HE LYS 59 -4.143 -10.286 0.027 466 HE3 LYS 59 2HE LYS 59 -3.983 -8.541 0.247 467 HZ1 LYS 59 3HZ LYS 59 -6.090 -8.563 1.477 468 HZ2 LYS 59 1HZ LYS 59 -5.001 -9.544 2.188 469 HZ3 LYS 59 2HZ LYS 59 -6.218 -10.186 1.313 470 H HIS 60 H HIS 60 -7.689 -12.323 -5.517 471 HA HIS 60 HA HIS 60 -9.347 -10.485 -7.118 472 HB2 HIS 60 1HB HIS 60 -7.523 -12.800 -7.846 473 HB3 HIS 60 2HB HIS 60 -8.541 -11.958 -9.011 474 HD1 HIS 60 1HD HIS 60 -8.136 -9.155 -9.048 475 HD2 HIS 60 2HD HIS 60 -5.111 -11.719 -7.624 476 HE1 HIS 60 1HE HIS 60 -5.999 -7.808 -9.159 477 H THR 61 H THR 61 -11.203 -11.123 -5.724 478 HA THR 61 HA THR 61 -12.768 -13.376 -6.919 479 HB THR 61 HB THR 61 -13.740 -13.757 -4.644 480 HG1 THR 61 1HG THR 61 -13.179 -11.883 -3.581 481 HG21 THR 61 3HG2 THR 61 -11.955 -15.232 -5.519 482 HG22 THR 61 1HG2 THR 61 -11.885 -15.057 -3.757 483 HG23 THR 61 2HG2 THR 61 -10.727 -14.183 -4.778 484 H GLY 62 H GLY 62 -15.103 -13.204 -6.588 485 HA2 GLY 62 1HA GLY 62 -17.099 -11.934 -6.191 486 HA3 GLY 62 2HA GLY 62 -16.185 -10.436 -6.287 487 H GLU 63 H GLU 63 -18.123 -9.980 -7.700 488 HA GLU 63 HA GLU 63 -18.390 -11.299 -10.250 489 HB2 GLU 63 1HB GLU 63 -20.285 -10.379 -9.010 490 HB3 GLU 63 2HB GLU 63 -19.647 -8.739 -9.197 491 HG2 GLU 63 1HG GLU 63 -19.931 -8.856 -11.625 492 HG3 GLU 63 2HG GLU 63 -20.347 -10.570 -11.532 493 H LYS 64 H LYS 64 -17.218 -11.041 -11.941 494 HA LYS 64 HA LYS 64 -15.603 -8.610 -12.444 495 HB2 LYS 64 1HB LYS 64 -15.624 -11.411 -13.610 496 HB3 LYS 64 2HB LYS 64 -14.852 -10.078 -14.469 497 HG2 LYS 64 1HG LYS 64 -13.440 -9.582 -12.508 498 HG3 LYS 64 2HG LYS 64 -14.128 -10.982 -11.653 499 HD2 LYS 64 1HD LYS 64 -13.218 -12.513 -13.314 500 HD3 LYS 64 2HD LYS 64 -12.776 -11.171 -14.376 501 HE2 LYS 64 1HE LYS 64 -11.280 -10.337 -12.434 502 HE3 LYS 64 2HE LYS 64 -11.512 -11.943 -11.724 503 HZ1 LYS 64 3HZ LYS 64 -10.349 -11.340 -14.396 504 HZ2 LYS 64 1HZ LYS 64 -10.615 -12.861 -13.838 505 HZ3 LYS 64 2HZ LYS 64 -9.523 -11.907 -13.086 506 H PHE 65 H PHE 65 -15.565 -7.484 -14.268 507 HA PHE 65 HA PHE 65 -17.797 -7.652 -16.239 508 HB2 PHE 65 1HB PHE 65 -16.313 -5.165 -15.290 509 HB3 PHE 65 2HB PHE 65 -17.596 -5.227 -16.490 510 HD1 PHE 65 1HD PHE 65 -16.827 -5.504 -12.880 511 HD2 PHE 65 2HD PHE 65 -19.949 -5.464 -15.849 512 HE1 PHE 65 1HE PHE 65 -18.521 -5.200 -11.088 513 HE2 PHE 65 2HE PHE 65 -21.645 -5.179 -14.057 514 HZ PHE 65 HZ PHE 65 -20.934 -5.034 -11.676 515 H ALA 66 H ALA 66 -17.125 -7.455 -18.432 516 HA ALA 66 HA ALA 66 -14.192 -7.839 -18.879 517 HB1 ALA 66 1HB ALA 66 -15.449 -9.973 -18.796 518 HB2 ALA 66 2HB ALA 66 -16.497 -9.393 -20.109 519 HB3 ALA 66 3HB ALA 66 -14.765 -9.652 -20.403 520 H CYS 67 H CYS 67 -13.260 -7.144 -20.710 521 HA CYS 67 HA CYS 67 -14.419 -4.920 -22.109 522 HB2 CYS 67 1HB CYS 67 -12.061 -5.215 -21.436 523 HB3 CYS 67 2HB CYS 67 -11.887 -6.514 -22.626 524 H ASP 68 H ASP 68 -14.996 -4.660 -24.180 525 HA ASP 68 HA ASP 68 -15.986 -7.036 -25.673 526 HB2 ASP 68 1HB ASP 68 -17.490 -5.091 -25.117 527 HB3 ASP 68 2HB ASP 68 -16.492 -4.079 -26.162 528 H TYR 69 H TYR 69 -13.264 -5.044 -25.605 529 HA TYR 69 HA TYR 69 -12.701 -5.292 -28.538 530 HB2 TYR 69 1HB TYR 69 -11.725 -3.259 -26.530 531 HB3 TYR 69 2HB TYR 69 -11.381 -3.256 -28.253 532 HD1 TYR 69 1HD TYR 69 -13.263 -2.821 -29.894 533 HD2 TYR 69 2HD TYR 69 -13.731 -2.335 -25.631 534 HE1 TYR 69 1HE TYR 69 -15.288 -1.415 -30.271 535 HE2 TYR 69 2HE TYR 69 -15.752 -0.931 -26.011 536 HH TYR 69 HH TYR 69 -17.165 -0.003 -27.561 537 H CYS 70 H CYS 70 -11.521 -6.204 -25.389 538 HA CYS 70 HA CYS 70 -9.384 -7.756 -26.627 539 HB2 CYS 70 1HB CYS 70 -7.582 -6.984 -25.276 540 HB3 CYS 70 2HB CYS 70 -8.268 -5.614 -26.126 541 H SER 71 H SER 71 -8.139 -8.696 -24.341 542 HA SER 71 HA SER 71 -10.185 -10.510 -23.256 543 HB2 SER 71 1HB SER 71 -8.224 -11.788 -22.450 544 HB3 SER 71 2HB SER 71 -8.191 -11.478 -24.193 545 HG SER 71 HG SER 71 -6.156 -11.067 -23.190 546 H PHE 72 H PHE 72 -9.185 -7.542 -22.199 547 HA PHE 72 HA PHE 72 -8.404 -7.921 -19.515 548 HB2 PHE 72 1HB PHE 72 -8.096 -5.860 -20.769 549 HB3 PHE 72 2HB PHE 72 -9.833 -5.625 -20.882 550 HD1 PHE 72 1HD PHE 72 -6.960 -5.676 -18.496 551 HD2 PHE 72 2HD PHE 72 -11.069 -4.533 -19.155 552 HE1 PHE 72 1HE PHE 72 -6.923 -4.320 -16.412 553 HE2 PHE 72 2HE PHE 72 -11.016 -3.160 -17.089 554 HZ PHE 72 HZ PHE 72 -8.948 -3.065 -15.709 555 H THR 73 H THR 73 -9.393 -7.874 -17.545 556 HA THR 73 HA THR 73 -12.308 -7.559 -17.331 557 HB THR 73 HB THR 73 -12.549 -9.373 -15.711 558 HG1 THR 73 1HG THR 73 -9.975 -10.170 -16.595 559 HG21 THR 73 3HG2 THR 73 -12.588 -11.273 -17.218 560 HG22 THR 73 1HG2 THR 73 -11.511 -10.443 -18.365 561 HG23 THR 73 2HG2 THR 73 -13.146 -9.820 -18.063 562 H CYS 74 H CYS 74 -13.053 -6.758 -15.392 563 HA CYS 74 HA CYS 74 -11.173 -6.182 -13.184 564 HB2 CYS 74 1HB CYS 74 -11.809 -3.752 -13.209 565 HB3 CYS 74 2HB CYS 74 -10.867 -4.268 -14.606 566 HG CYS 74 HG CYS 74 -14.117 -3.590 -14.351 567 H LEU 75 H LEU 75 -12.336 -5.201 -11.279 568 HA LEU 75 HA LEU 75 -14.850 -6.703 -10.862 569 HB2 LEU 75 1HB LEU 75 -12.925 -5.383 -8.922 570 HB3 LEU 75 2HB LEU 75 -14.354 -6.294 -8.448 571 HG LEU 75 HG LEU 75 -12.018 -7.484 -10.004 572 HD11 LEU 75 1HD1 LEU 75 -11.447 -8.598 -7.891 573 HD12 LEU 75 2HD1 LEU 75 -12.759 -7.734 -7.063 574 HD13 LEU 75 3HD1 LEU 75 -11.371 -6.836 -7.716 575 HD21 LEU 75 3HD2 LEU 75 -14.137 -8.704 -10.392 576 HD22 LEU 75 1HD2 LEU 75 -14.404 -8.811 -8.643 577 HD23 LEU 75 2HD2 LEU 75 -13.034 -9.654 -9.393 578 H SER 76 H SER 76 -14.579 -3.861 -12.166 579 HA SER 76 HA SER 76 -17.145 -2.923 -11.060 580 HB2 SER 76 1HB SER 76 -15.652 -1.639 -9.695 581 HB3 SER 76 2HB SER 76 -14.630 -1.225 -11.082 582 HG SER 76 HG SER 76 -16.222 0.408 -10.342 583 H LYS 77 H LYS 77 -18.450 -2.050 -12.578 584 HA LYS 77 HA LYS 77 -17.708 -1.986 -15.381 585 HB2 LYS 77 1HB LYS 77 -19.943 -1.115 -15.764 586 HB3 LYS 77 2HB LYS 77 -19.966 -2.520 -14.703 587 HG2 LYS 77 1HG LYS 77 -20.282 -1.042 -12.726 588 HG3 LYS 77 2HG LYS 77 -20.179 0.380 -13.769 589 HD2 LYS 77 1HD LYS 77 -22.488 -0.048 -13.255 590 HD3 LYS 77 2HD LYS 77 -22.218 -0.347 -14.978 591 HE2 LYS 77 1HE LYS 77 -22.118 -2.788 -14.547 592 HE3 LYS 77 2HE LYS 77 -22.318 -2.501 -12.812 593 HZ1 LYS 77 3HZ LYS 77 -24.432 -3.072 -13.866 594 HZ2 LYS 77 1HZ LYS 77 -24.325 -1.812 -14.897 595 HZ3 LYS 77 2HZ LYS 77 -24.511 -1.548 -13.294 596 H GLY 78 H GLY 78 -17.524 0.393 -12.831 597 HA2 GLY 78 1HA GLY 78 -17.188 2.749 -14.518 598 HA3 GLY 78 2HA GLY 78 -16.713 2.565 -12.822 599 H HIS 79 H HIS 79 -14.955 0.402 -12.952 600 HA HIS 79 HA HIS 79 -12.527 1.499 -14.034 601 HB2 HIS 79 1HB HIS 79 -12.774 -0.098 -12.101 602 HB3 HIS 79 2HB HIS 79 -13.063 -1.389 -13.266 603 HD1 HIS 79 1HD HIS 79 -10.641 -0.308 -15.308 604 HD2 HIS 79 2HD HIS 79 -10.509 -1.026 -11.167 605 HE1 HIS 79 1HE HIS 79 -8.185 -0.734 -14.733 606 H LEU 80 H LEU 80 -14.865 -0.907 -15.322 607 HA LEU 80 HA LEU 80 -13.372 -1.530 -17.656 608 HB2 LEU 80 1HB LEU 80 -15.321 -2.851 -16.783 609 HB3 LEU 80 2HB LEU 80 -16.396 -1.554 -17.294 610 HG LEU 80 HG LEU 80 -15.729 -1.892 -19.650 611 HD11 LEU 80 1HD1 LEU 80 -14.451 -3.948 -20.247 612 HD12 LEU 80 2HD1 LEU 80 -14.043 -4.181 -18.535 613 HD13 LEU 80 3HD1 LEU 80 -13.451 -2.759 -19.433 614 HD21 LEU 80 3HD2 LEU 80 -17.641 -3.145 -18.633 615 HD22 LEU 80 1HD2 LEU 80 -16.533 -4.512 -18.356 616 HD23 LEU 80 2HD2 LEU 80 -16.885 -3.967 -20.007 617 H LYS 81 H LYS 81 -15.878 1.007 -17.141 618 HA LYS 81 HA LYS 81 -15.813 2.106 -19.774 619 HB2 LYS 81 1HB LYS 81 -17.504 2.631 -18.026 620 HB3 LYS 81 2HB LYS 81 -16.290 3.551 -17.126 621 HG2 LYS 81 1HG LYS 81 -16.042 5.114 -19.037 622 HG3 LYS 81 2HG LYS 81 -17.210 4.160 -19.974 623 HD2 LYS 81 1HD LYS 81 -18.964 4.653 -18.286 624 HD3 LYS 81 2HD LYS 81 -17.789 5.598 -17.343 625 HE2 LYS 81 1HE LYS 81 -17.469 7.128 -19.276 626 HE3 LYS 81 2HE LYS 81 -18.633 6.187 -20.218 627 HZ1 LYS 81 3HZ LYS 81 -19.681 8.132 -19.211 628 HZ2 LYS 81 1HZ LYS 81 -19.266 7.651 -17.708 629 HZ3 LYS 81 2HZ LYS 81 -20.341 6.781 -18.580 630 H VAL 82 H VAL 82 -13.817 2.971 -16.917 631 HA VAL 82 HA VAL 82 -12.167 4.902 -18.236 632 HB VAL 82 HB VAL 82 -11.651 3.098 -15.841 633 HG11 VAL 82 1HG1 VAL 82 -9.814 4.670 -15.243 634 HG12 VAL 82 2HG1 VAL 82 -9.447 3.724 -16.684 635 HG13 VAL 82 3HG1 VAL 82 -9.960 5.425 -16.847 636 HG21 VAL 82 3HG2 VAL 82 -12.060 5.148 -14.558 637 HG22 VAL 82 1HG2 VAL 82 -12.271 6.080 -16.057 638 HG23 VAL 82 2HG2 VAL 82 -13.445 4.833 -15.605 639 H HIS 83 H HIS 83 -11.694 1.326 -17.964 640 HA HIS 83 HA HIS 83 -9.248 1.217 -19.423 641 HB2 HIS 83 1HB HIS 83 -9.988 -0.705 -18.205 642 HB3 HIS 83 2HB HIS 83 -11.520 -0.767 -19.066 643 HD1 HIS 83 1HD HIS 83 -7.816 -1.609 -19.637 644 HD2 HIS 83 2HD HIS 83 -11.600 -1.987 -21.421 645 HE1 HIS 83 1HE HIS 83 -7.490 -3.149 -21.626 646 H ILE 84 H ILE 84 -12.639 1.032 -20.677 647 HA ILE 84 HA ILE 84 -11.824 0.726 -23.409 648 HB ILE 84 HB ILE 84 -14.441 1.654 -22.193 649 HG12 ILE 84 1HG1 ILE 84 -13.676 -1.001 -23.512 650 HG13 ILE 84 2HG1 ILE 84 -13.600 -0.741 -21.779 651 HG21 ILE 84 1HG2 ILE 84 -13.830 0.915 -25.101 652 HG22 ILE 84 2HG2 ILE 84 -15.448 1.219 -24.433 653 HG23 ILE 84 3HG2 ILE 84 -14.288 2.530 -24.506 654 HD11 ILE 84 3HD1 ILE 84 -16.127 -0.679 -23.460 655 HD12 ILE 84 1HD1 ILE 84 -15.640 -1.886 -22.264 656 HD13 ILE 84 2HD1 ILE 84 -16.042 -0.240 -21.736 657 H GLU 85 H GLU 85 -12.712 3.699 -21.598 658 HA GLU 85 HA GLU 85 -12.327 5.489 -23.793 659 HB2 GLU 85 1HB GLU 85 -12.124 5.895 -20.790 660 HB3 GLU 85 2HB GLU 85 -12.054 7.210 -21.948 661 HG2 GLU 85 1HG GLU 85 -14.416 5.320 -21.554 662 HG3 GLU 85 2HG GLU 85 -14.298 6.965 -20.958 663 H ARG 86 H ARG 86 -9.953 4.292 -21.380 664 HA ARG 86 HA ARG 86 -7.816 6.008 -22.387 665 HB2 ARG 86 1HB ARG 86 -7.886 3.774 -20.373 666 HB3 ARG 86 2HB ARG 86 -6.395 4.598 -20.863 667 HG2 ARG 86 1HG ARG 86 -7.325 6.795 -20.237 668 HG3 ARG 86 2HG ARG 86 -8.873 6.046 -19.818 669 HD2 ARG 86 1HD ARG 86 -7.704 6.417 -17.804 670 HD3 ARG 86 2HD ARG 86 -7.726 4.667 -18.128 671 HE ARG 86 HE ARG 86 -5.311 5.880 -19.145 672 HH11 ARG 86 2HH1 ARG 86 -6.688 4.901 -16.079 673 HH12 ARG 86 1HH1 ARG 86 -5.125 4.649 -15.353 674 HH21 ARG 86 2HH2 ARG 86 -3.348 5.533 -18.160 675 HH22 ARG 86 1HH2 ARG 86 -3.288 5.007 -16.504 676 H VAL 87 H VAL 87 -8.587 2.552 -22.822 677 HA VAL 87 HA VAL 87 -6.090 2.166 -24.365 678 HB VAL 87 HB VAL 87 -8.110 0.114 -23.404 679 HG11 VAL 87 1HG1 VAL 87 -6.760 -0.773 -25.250 680 HG12 VAL 87 2HG1 VAL 87 -5.270 -0.205 -24.461 681 HG13 VAL 87 3HG1 VAL 87 -6.247 -1.495 -23.726 682 HG21 VAL 87 3HG2 VAL 87 -5.448 1.030 -22.211 683 HG22 VAL 87 1HG2 VAL 87 -7.053 1.245 -21.479 684 HG23 VAL 87 2HG2 VAL 87 -6.384 -0.374 -21.660 685 H HIS 88 H HIS 88 -9.607 2.046 -24.999 686 HA HIS 88 HA HIS 88 -9.000 1.128 -27.779 687 HB2 HIS 88 1HB HIS 88 -11.527 0.846 -26.141 688 HB3 HIS 88 2HB HIS 88 -11.280 0.250 -27.784 689 HD1 HIS 88 1HD HIS 88 -8.907 -1.473 -27.895 690 HD2 HIS 88 2HD HIS 88 -11.044 -0.953 -24.320 691 HE1 HIS 88 1HE HIS 88 -8.265 -3.434 -26.412 692 H LYS 89 H LYS 89 -10.928 3.631 -26.058 693 HA LYS 89 HA LYS 89 -11.507 5.047 -28.592 694 HB2 LYS 89 1HB LYS 89 -11.592 6.187 -25.789 695 HB3 LYS 89 2HB LYS 89 -12.359 6.837 -27.217 696 HG2 LYS 89 1HG LYS 89 -13.146 4.223 -25.859 697 HG3 LYS 89 2HG LYS 89 -13.888 5.799 -25.628 698 HD2 LYS 89 1HD LYS 89 -14.538 5.847 -28.041 699 HD3 LYS 89 2HD LYS 89 -13.855 4.221 -28.220 700 HE2 LYS 89 1HE LYS 89 -16.246 4.016 -27.907 701 HE3 LYS 89 2HE LYS 89 -15.425 3.370 -26.485 702 HZ1 LYS 89 3HZ LYS 89 -15.937 5.466 -25.310 703 HZ2 LYS 89 1HZ LYS 89 -17.309 4.796 -25.882 704 HZ3 LYS 89 2HZ LYS 89 -16.653 6.075 -26.650 705 H LYS 90 H LYS 90 -8.930 4.907 -26.311 706 HA LYS 90 HA LYS 90 -6.919 5.928 -26.030 707 HB2 LYS 90 1HB LYS 90 -7.058 6.321 -29.039 708 HB3 LYS 90 2HB LYS 90 -5.602 6.358 -28.033 709 HG2 LYS 90 1HG LYS 90 -6.026 3.993 -27.359 710 HG3 LYS 90 2HG LYS 90 -7.421 3.945 -28.457 711 HD2 LYS 90 1HD LYS 90 -5.861 4.572 -30.347 712 HD3 LYS 90 2HD LYS 90 -4.504 4.363 -29.237 713 HE2 LYS 90 1HE LYS 90 -6.546 2.232 -30.037 714 HE3 LYS 90 2HE LYS 90 -4.905 2.379 -30.672 715 HZ1 LYS 90 3HZ LYS 90 -4.939 0.732 -28.943 716 HZ2 LYS 90 1HZ LYS 90 -5.638 1.735 -27.865 717 HZ3 LYS 90 2HZ LYS 90 -4.093 2.004 -28.369 718 H ILE 91 H ILE 91 -8.734 7.513 -25.068 719 HA ILE 91 HA ILE 91 -8.990 10.074 -26.163 720 HB ILE 91 HB ILE 91 -10.439 9.066 -24.423 721 HG12 ILE 91 1HG1 ILE 91 -10.887 11.087 -23.097 722 HG13 ILE 91 2HG1 ILE 91 -9.369 11.806 -23.625 723 HG21 ILE 91 1HG2 ILE 91 -8.611 8.207 -22.915 724 HG22 ILE 91 2HG2 ILE 91 -8.318 9.873 -22.388 725 HG23 ILE 91 3HG2 ILE 91 -9.885 9.102 -22.077 726 HD11 ILE 91 3HD1 ILE 91 -10.194 11.906 -25.947 727 HD12 ILE 91 1HD1 ILE 91 -11.665 11.016 -25.480 728 HD13 ILE 91 2HD1 ILE 91 -11.370 12.651 -24.857 729 H LYS 92 H LYS 92 -8.007 11.947 -25.974 730 HA LYS 92 HA LYS 92 -5.391 12.280 -24.576 731 HB2 LYS 92 1HB LYS 92 -5.940 12.629 -27.548 732 HB3 LYS 92 2HB LYS 92 -4.562 13.370 -26.731 733 HG2 LYS 92 1HG LYS 92 -3.681 11.202 -26.060 734 HG3 LYS 92 2HG LYS 92 -5.061 10.360 -26.757 735 HD2 LYS 92 1HD LYS 92 -3.082 12.056 -28.330 736 HD3 LYS 92 2HD LYS 92 -2.997 10.304 -28.184 737 HE2 LYS 92 1HE LYS 92 -5.350 11.820 -29.408 738 HE3 LYS 92 2HE LYS 92 -4.011 11.142 -30.330 739 HZ1 LYS 92 3HZ LYS 92 -4.626 8.938 -29.530 740 HZ2 LYS 92 1HZ LYS 92 -5.898 9.627 -30.282 741 HZ3 LYS 92 2HZ LYS 92 -5.874 9.531 -28.651 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -18.420 15.229 -43.671 2 H2 GLY 1 2H GLY 1 -18.856 16.764 -43.306 3 H3 GLY 1 3H GLY 1 -20.005 15.614 -43.509 4 HA2 GLY 1 1HA GLY 1 -19.718 16.088 -41.168 5 HA3 GLY 1 2HA GLY 1 -19.269 14.419 -41.565 6 H SER 2 H SER 2 -18.373 16.089 -39.316 7 HA SER 2 HA SER 2 -15.709 17.046 -39.720 8 HB2 SER 2 1HB SER 2 -17.053 16.131 -37.150 9 HB3 SER 2 2HB SER 2 -15.594 17.134 -37.278 10 HG SER 2 HG SER 2 -17.498 18.394 -36.962 11 H SER 3 H SER 3 -13.700 16.203 -39.200 12 HA SER 3 HA SER 3 -13.331 13.408 -39.708 13 HB2 SER 3 1HB SER 3 -11.296 15.471 -38.791 14 HB3 SER 3 2HB SER 3 -10.955 13.921 -39.581 15 HG SER 3 HG SER 3 -10.933 15.675 -41.067 16 H GLY 4 H GLY 4 -13.707 15.049 -36.681 17 HA2 GLY 4 1HA GLY 4 -13.648 14.269 -34.491 18 HA3 GLY 4 2HA GLY 4 -13.276 12.654 -35.085 19 H SER 5 H SER 5 -11.921 12.753 -33.076 20 HA SER 5 HA SER 5 -9.126 13.404 -33.744 21 HB2 SER 5 1HB SER 5 -8.734 14.591 -31.629 22 HB3 SER 5 2HB SER 5 -9.880 15.454 -32.662 23 HG SER 5 HG SER 5 -10.587 15.370 -30.480 24 H SER 6 H SER 6 -7.567 12.446 -32.298 25 HA SER 6 HA SER 6 -8.416 10.478 -30.311 26 HB2 SER 6 1HB SER 6 -8.558 9.284 -32.552 27 HB3 SER 6 2HB SER 6 -6.805 9.508 -32.704 28 HG SER 6 HG SER 6 -7.403 7.478 -31.753 29 H GLY 7 H GLY 7 -6.560 9.557 -29.157 30 HA2 GLY 7 1HA GLY 7 -4.460 11.539 -28.645 31 HA3 GLY 7 2HA GLY 7 -4.727 10.026 -27.787 32 H LYS 8 H LYS 8 -2.212 10.678 -28.190 33 HA LYS 8 HA LYS 8 -1.042 9.388 -30.553 34 HB2 LYS 8 1HB LYS 8 1.091 9.843 -29.543 35 HB3 LYS 8 2HB LYS 8 0.096 11.287 -29.495 36 HG2 LYS 8 1HG LYS 8 -0.293 11.105 -27.149 37 HG3 LYS 8 2HG LYS 8 0.275 9.436 -27.083 38 HD2 LYS 8 1HD LYS 8 2.095 11.760 -27.814 39 HD3 LYS 8 2HD LYS 8 1.856 11.192 -26.154 40 HE2 LYS 8 1HE LYS 8 2.614 8.921 -26.788 41 HE3 LYS 8 2HE LYS 8 2.865 9.452 -28.453 42 HZ1 LYS 8 3HZ LYS 8 4.543 11.017 -27.641 43 HZ2 LYS 8 1HZ LYS 8 4.933 9.498 -27.195 44 HZ3 LYS 8 2HZ LYS 8 4.313 10.536 -26.096 45 H ILE 9 H ILE 9 0.781 7.751 -30.068 46 HA ILE 9 HA ILE 9 -0.398 5.439 -28.583 47 HB ILE 9 HB ILE 9 1.265 5.459 -31.129 48 HG12 ILE 9 1HG1 ILE 9 -1.685 4.786 -30.671 49 HG13 ILE 9 2HG1 ILE 9 -1.087 6.244 -31.459 50 HG21 ILE 9 1HG2 ILE 9 1.762 3.473 -29.786 51 HG22 ILE 9 2HG2 ILE 9 0.018 3.147 -29.596 52 HG23 ILE 9 3HG2 ILE 9 0.815 3.022 -31.182 53 HD11 ILE 9 3HD1 ILE 9 -0.042 4.818 -33.244 54 HD12 ILE 9 1HD1 ILE 9 -0.903 3.422 -32.544 55 HD13 ILE 9 2HD1 ILE 9 -1.816 4.794 -33.179 56 H PHE 10 H PHE 10 0.918 4.149 -27.364 57 HA PHE 10 HA PHE 10 3.700 5.081 -26.757 58 HB2 PHE 10 1HB PHE 10 1.563 4.080 -24.833 59 HB3 PHE 10 2HB PHE 10 3.215 4.480 -24.410 60 HD1 PHE 10 1HD PHE 10 -0.049 5.891 -25.463 61 HD2 PHE 10 2HD PHE 10 3.950 6.772 -24.109 62 HE1 PHE 10 1HE PHE 10 -0.719 8.241 -25.018 63 HE2 PHE 10 2HE PHE 10 3.279 9.119 -23.658 64 HZ PHE 10 HZ PHE 10 0.946 9.859 -24.111 65 H THR 11 H THR 11 5.265 3.445 -26.436 66 HA THR 11 HA THR 11 4.392 0.625 -26.888 67 HB THR 11 HB THR 11 6.698 2.021 -28.281 68 HG1 THR 11 1HG THR 11 5.388 1.959 -30.091 69 HG21 THR 11 3HG2 THR 11 7.016 -0.409 -28.102 70 HG22 THR 11 1HG2 THR 11 6.634 0.035 -29.768 71 HG23 THR 11 2HG2 THR 11 5.378 -0.687 -28.739 72 H CYS 12 H CYS 12 5.453 -0.933 -25.813 73 HA CYS 12 HA CYS 12 7.293 -0.302 -23.659 74 HB2 CYS 12 1HB CYS 12 5.569 -1.993 -23.466 75 HB3 CYS 12 2HB CYS 12 6.261 -2.907 -24.825 76 H GLU 13 H GLU 13 9.431 -0.401 -23.596 77 HA GLU 13 HA GLU 13 10.957 -0.893 -26.060 78 HB2 GLU 13 1HB GLU 13 12.829 0.043 -24.908 79 HB3 GLU 13 2HB GLU 13 11.420 1.069 -24.663 80 HG2 GLU 13 1HG GLU 13 11.108 0.064 -22.389 81 HG3 GLU 13 2HG GLU 13 12.554 -0.918 -22.645 82 H TYR 14 H TYR 14 9.932 -2.894 -23.534 83 HA TYR 14 HA TYR 14 12.332 -4.671 -23.676 84 HB2 TYR 14 1HB TYR 14 10.018 -4.591 -21.742 85 HB3 TYR 14 2HB TYR 14 11.365 -5.710 -21.660 86 HD1 TYR 14 2HD TYR 14 13.689 -4.858 -21.176 87 HD2 TYR 14 1HD TYR 14 10.181 -2.372 -20.831 88 HE1 TYR 14 2HE TYR 14 14.943 -3.296 -19.698 89 HE2 TYR 14 1HE TYR 14 11.440 -0.813 -19.336 90 HH TYR 14 HH TYR 14 14.865 -1.375 -18.453 91 H CYS 15 H CYS 15 8.827 -4.699 -24.341 92 HA CYS 15 HA CYS 15 9.173 -7.346 -25.648 93 HB2 CYS 15 1HB CYS 15 7.176 -8.221 -24.721 94 HB3 CYS 15 2HB CYS 15 8.279 -7.748 -23.433 95 H ASN 16 H ASN 16 8.547 -4.306 -26.400 96 HA ASN 16 HA ASN 16 7.607 -3.207 -28.093 97 HB2 ASN 16 1HB ASN 16 9.057 -4.973 -29.202 98 HB3 ASN 16 2HB ASN 16 7.569 -5.847 -29.568 99 HD21 ASN 16 1HD2 ASN 16 7.954 -5.625 -31.847 100 HD22 ASN 16 2HD2 ASN 16 7.772 -4.067 -32.640 101 H LYS 17 H LYS 17 5.631 -4.557 -26.198 102 HA LYS 17 HA LYS 17 3.120 -4.716 -27.656 103 HB2 LYS 17 1HB LYS 17 3.852 -4.276 -24.742 104 HB3 LYS 17 2HB LYS 17 2.168 -4.277 -25.309 105 HG2 LYS 17 1HG LYS 17 2.393 -6.573 -26.131 106 HG3 LYS 17 2HG LYS 17 4.112 -6.572 -25.685 107 HD2 LYS 17 1HD LYS 17 3.380 -6.037 -23.296 108 HD3 LYS 17 2HD LYS 17 1.713 -6.267 -23.809 109 HE2 LYS 17 1HE LYS 17 2.616 -8.203 -22.643 110 HE3 LYS 17 2HE LYS 17 2.124 -8.612 -24.291 111 HZ1 LYS 17 3HZ LYS 17 4.375 -9.501 -23.562 112 HZ2 LYS 17 1HZ LYS 17 4.950 -7.954 -23.623 113 HZ3 LYS 17 2HZ LYS 17 4.395 -8.672 -24.969 114 H VAL 18 H VAL 18 1.455 -3.253 -27.665 115 HA VAL 18 HA VAL 18 2.266 -0.368 -27.635 116 HB VAL 18 HB VAL 18 0.437 -1.775 -29.610 117 HG11 VAL 18 1HG1 VAL 18 0.553 0.404 -30.832 118 HG12 VAL 18 2HG1 VAL 18 -0.256 0.566 -29.274 119 HG13 VAL 18 3HG1 VAL 18 1.435 1.095 -29.454 120 HG21 VAL 18 3HG2 VAL 18 3.237 -0.607 -29.956 121 HG22 VAL 18 1HG2 VAL 18 2.811 -2.331 -30.030 122 HG23 VAL 18 2HG2 VAL 18 2.207 -1.226 -31.264 123 H PHE 19 H PHE 19 0.965 1.093 -26.751 124 HA PHE 19 HA PHE 19 -1.601 0.267 -25.472 125 HB2 PHE 19 1HB PHE 19 0.691 1.795 -24.174 126 HB3 PHE 19 2HB PHE 19 -0.855 1.423 -23.429 127 HD1 PHE 19 2HD PHE 19 -1.397 -0.889 -22.694 128 HD2 PHE 19 1HD PHE 19 2.419 0.077 -24.444 129 HE1 PHE 19 2HE PHE 19 -0.525 -3.119 -22.026 130 HE2 PHE 19 1HE PHE 19 3.296 -2.141 -23.757 131 HZ PHE 19 HZ PHE 19 1.807 -3.777 -22.599 132 H LYS 20 H LYS 20 -3.107 1.890 -25.125 133 HA LYS 20 HA LYS 20 -3.084 4.098 -27.031 134 HB2 LYS 20 1HB LYS 20 -5.050 3.400 -24.819 135 HB3 LYS 20 2HB LYS 20 -5.332 4.559 -26.123 136 HG2 LYS 20 1HG LYS 20 -5.143 2.664 -27.771 137 HG3 LYS 20 2HG LYS 20 -4.997 1.546 -26.396 138 HD2 LYS 20 1HD LYS 20 -7.201 2.519 -25.515 139 HD3 LYS 20 2HD LYS 20 -7.356 3.354 -27.077 140 HE2 LYS 20 1HE LYS 20 -7.144 1.113 -28.211 141 HE3 LYS 20 2HE LYS 20 -7.103 0.356 -26.608 142 HZ1 LYS 20 3HZ LYS 20 -9.337 1.251 -26.206 143 HZ2 LYS 20 1HZ LYS 20 -9.349 0.327 -27.548 144 HZ3 LYS 20 2HZ LYS 20 -9.373 1.951 -27.683 145 H PHE 21 H PHE 21 -2.294 3.870 -23.645 146 HA PHE 21 HA PHE 21 -2.220 6.842 -23.384 147 HB2 PHE 21 1HB PHE 21 -3.324 4.964 -21.277 148 HB3 PHE 21 2HB PHE 21 -3.337 6.719 -21.266 149 HD1 PHE 21 2HD PHE 21 -4.681 7.901 -23.210 150 HD2 PHE 21 1HD PHE 21 -5.233 3.777 -22.055 151 HE1 PHE 21 2HE PHE 21 -6.922 7.892 -24.282 152 HE2 PHE 21 1HE PHE 21 -7.480 3.789 -23.095 153 HZ PHE 21 HZ PHE 21 -8.321 5.833 -24.235 154 H LYS 22 H LYS 22 -0.817 7.696 -21.871 155 HA LYS 22 HA LYS 22 1.702 6.447 -21.581 156 HB2 LYS 22 1HB LYS 22 1.226 8.897 -21.618 157 HB3 LYS 22 2HB LYS 22 0.532 8.787 -20.002 158 HG2 LYS 22 1HG LYS 22 2.667 8.139 -19.059 159 HG3 LYS 22 2HG LYS 22 3.400 7.973 -20.664 160 HD2 LYS 22 1HD LYS 22 3.099 10.374 -21.090 161 HD3 LYS 22 2HD LYS 22 2.303 10.597 -19.527 162 HE2 LYS 22 1HE LYS 22 5.139 9.518 -19.836 163 HE3 LYS 22 2HE LYS 22 4.782 11.243 -19.706 164 HZ1 LYS 22 3HZ LYS 22 5.309 10.281 -17.536 165 HZ2 LYS 22 1HZ LYS 22 4.056 9.233 -17.629 166 HZ3 LYS 22 2HZ LYS 22 3.777 10.842 -17.541 167 H HIS 23 H HIS 23 -0.863 6.856 -19.123 168 HA HIS 23 HA HIS 23 0.584 5.579 -17.014 169 HB2 HIS 23 1HB HIS 23 -1.537 5.528 -15.830 170 HB3 HIS 23 2HB HIS 23 -1.298 7.086 -16.611 171 HD1 HIS 23 1HD HIS 23 -3.565 3.984 -16.824 172 HD2 HIS 23 2HD HIS 23 -3.019 7.768 -18.578 173 HE1 HIS 23 1HE HIS 23 -5.638 4.422 -18.239 174 H SER 24 H SER 24 -1.586 4.210 -19.513 175 HA SER 24 HA SER 24 -1.698 1.544 -18.495 176 HB2 SER 24 1HB SER 24 -1.735 2.467 -21.393 177 HB3 SER 24 2HB SER 24 -2.252 0.882 -20.797 178 HG SER 24 HG SER 24 -3.911 1.881 -19.644 179 H LEU 25 H LEU 25 0.694 3.062 -20.747 180 HA LEU 25 HA LEU 25 2.365 0.721 -20.855 181 HB2 LEU 25 1HB LEU 25 2.549 2.430 -22.561 182 HB3 LEU 25 2HB LEU 25 2.972 3.655 -21.361 183 HG LEU 25 HG LEU 25 5.085 2.469 -20.857 184 HD11 LEU 25 1HD1 LEU 25 4.419 0.133 -21.452 185 HD12 LEU 25 2HD1 LEU 25 5.889 0.648 -22.268 186 HD13 LEU 25 3HD1 LEU 25 4.355 0.608 -23.161 187 HD21 LEU 25 3HD2 LEU 25 6.268 2.971 -22.900 188 HD22 LEU 25 1HD2 LEU 25 5.026 4.204 -22.622 189 HD23 LEU 25 2HD2 LEU 25 4.763 2.921 -23.832 190 H GLN 26 H GLN 26 2.507 3.637 -18.689 191 HA GLN 26 HA GLN 26 4.835 2.850 -17.280 192 HB2 GLN 26 1HB GLN 26 2.420 4.499 -16.454 193 HB3 GLN 26 2HB GLN 26 3.759 4.187 -15.355 194 HG2 GLN 26 1HG GLN 26 5.338 5.147 -17.074 195 HG3 GLN 26 2HG GLN 26 3.955 5.596 -18.059 196 HE21 GLN 26 1HE2 GLN 26 5.221 6.021 -14.667 197 HE22 GLN 26 2HE2 GLN 26 4.632 7.672 -14.543 198 H ALA 27 H ALA 27 1.440 1.915 -16.575 199 HA ALA 27 HA ALA 27 2.128 0.329 -14.269 200 HB1 ALA 27 1HB ALA 27 -0.289 0.260 -16.112 201 HB2 ALA 27 2HB ALA 27 -0.170 -0.483 -14.499 202 HB3 ALA 27 3HB ALA 27 -0.090 1.287 -14.668 203 H HIS 28 H HIS 28 1.878 -0.449 -17.766 204 HA HIS 28 HA HIS 28 2.249 -3.292 -17.479 205 HB2 HIS 28 1HB HIS 28 1.408 -2.470 -19.560 206 HB3 HIS 28 2HB HIS 28 2.754 -1.344 -19.756 207 HD1 HIS 28 1HD HIS 28 2.245 -5.186 -19.665 208 HD2 HIS 28 2HD HIS 28 4.928 -2.208 -20.924 209 HE1 HIS 28 1HE HIS 28 4.120 -6.405 -20.850 210 H LEU 29 H LEU 29 4.593 -0.609 -17.956 211 HA LEU 29 HA LEU 29 6.897 -2.142 -18.317 212 HB2 LEU 29 1HB LEU 29 6.450 0.614 -17.136 213 HB3 LEU 29 2HB LEU 29 8.069 -0.044 -17.312 214 HG LEU 29 HG LEU 29 6.159 0.271 -19.661 215 HD11 LEU 29 1HD1 LEU 29 8.447 2.061 -18.737 216 HD12 LEU 29 2HD1 LEU 29 6.717 2.468 -18.686 217 HD13 LEU 29 3HD1 LEU 29 7.523 2.245 -20.245 218 HD21 LEU 29 3HD2 LEU 29 9.148 -0.260 -19.524 219 HD22 LEU 29 1HD2 LEU 29 8.234 0.095 -21.006 220 HD23 LEU 29 2HD2 LEU 29 7.897 -1.382 -20.113 221 H ARG 30 H ARG 30 5.250 -1.601 -15.274 222 HA ARG 30 HA ARG 30 7.257 -2.127 -13.373 223 HB2 ARG 30 1HB ARG 30 4.334 -3.000 -13.430 224 HB3 ARG 30 2HB ARG 30 5.381 -3.135 -12.013 225 HG2 ARG 30 1HG ARG 30 5.705 -0.719 -11.923 226 HG3 ARG 30 2HG ARG 30 4.802 -0.493 -13.425 227 HD2 ARG 30 1HD ARG 30 3.387 0.062 -11.511 228 HD3 ARG 30 2HD ARG 30 2.754 -1.321 -12.395 229 HE ARG 30 HE ARG 30 3.088 -2.695 -10.557 230 HH11 ARG 30 2HH1 ARG 30 4.812 0.282 -9.833 231 HH12 ARG 30 1HH1 ARG 30 5.027 -0.174 -8.166 232 HH21 ARG 30 2HH2 ARG 30 3.315 -3.155 -8.516 233 HH22 ARG 30 1HH2 ARG 30 4.189 -2.102 -7.417 234 H ILE 31 H ILE 31 5.715 -4.563 -15.512 235 HA ILE 31 HA ILE 31 6.726 -6.800 -14.024 236 HB ILE 31 HB ILE 31 6.126 -8.188 -15.757 237 HG12 ILE 31 1HG1 ILE 31 5.943 -5.824 -17.656 238 HG13 ILE 31 2HG1 ILE 31 7.138 -7.118 -17.682 239 HG21 ILE 31 1HG2 ILE 31 4.321 -7.060 -14.414 240 HG22 ILE 31 2HG2 ILE 31 4.048 -5.970 -15.794 241 HG23 ILE 31 3HG2 ILE 31 3.783 -7.715 -15.960 242 HD11 ILE 31 3HD1 ILE 31 5.545 -7.627 -19.367 243 HD12 ILE 31 1HD1 ILE 31 5.297 -8.777 -18.040 244 HD13 ILE 31 2HD1 ILE 31 4.179 -7.407 -18.256 245 H HIS 32 H HIS 32 8.233 -4.709 -16.351 246 HA HIS 32 HA HIS 32 10.628 -6.435 -16.636 247 HB2 HIS 32 1HB HIS 32 10.067 -3.722 -17.873 248 HB3 HIS 32 2HB HIS 32 11.286 -4.892 -18.354 249 HD1 HIS 32 1HD HIS 32 10.021 -7.356 -19.319 250 HD2 HIS 32 2HD HIS 32 8.028 -3.667 -19.392 251 HE1 HIS 32 1HE HIS 32 8.224 -7.578 -21.101 252 H THR 33 H THR 33 9.654 -3.262 -15.250 253 HA THR 33 HA THR 33 12.425 -2.592 -14.585 254 HB THR 33 HB THR 33 11.514 -0.445 -13.862 255 HG1 THR 33 1HG THR 33 9.321 -0.054 -14.087 256 HG21 THR 33 3HG2 THR 33 12.012 -0.797 -16.268 257 HG22 THR 33 1HG2 THR 33 10.686 0.350 -16.013 258 HG23 THR 33 2HG2 THR 33 10.334 -1.308 -16.541 259 H ASN 34 H ASN 34 9.663 -3.791 -12.699 260 HA ASN 34 HA ASN 34 10.818 -2.977 -10.152 261 HB2 ASN 34 1HB ASN 34 8.376 -3.251 -10.603 262 HB3 ASN 34 2HB ASN 34 8.611 -4.995 -10.715 263 HD21 ASN 34 1HD2 ASN 34 6.828 -3.779 -8.896 264 HD22 ASN 34 2HD2 ASN 34 7.463 -4.048 -7.278 265 H GLU 35 H GLU 35 12.194 -4.050 -8.847 266 HA GLU 35 HA GLU 35 13.703 -6.293 -9.884 267 HB2 GLU 35 1HB GLU 35 15.080 -6.013 -7.918 268 HB3 GLU 35 2HB GLU 35 14.749 -4.451 -8.664 269 HG2 GLU 35 1HG GLU 35 12.998 -4.005 -6.937 270 HG3 GLU 35 2HG GLU 35 13.349 -5.564 -6.187 271 H LYS 36 H LYS 36 10.857 -6.178 -7.921 272 HA LYS 36 HA LYS 36 11.182 -8.634 -6.460 273 HB2 LYS 36 1HB LYS 36 8.734 -7.117 -7.432 274 HB3 LYS 36 2HB LYS 36 8.624 -8.611 -6.501 275 HG2 LYS 36 1HG LYS 36 9.904 -7.592 -4.645 276 HG3 LYS 36 2HG LYS 36 10.005 -6.063 -5.547 277 HD2 LYS 36 1HD LYS 36 7.548 -5.884 -5.561 278 HD3 LYS 36 2HD LYS 36 7.417 -7.455 -4.745 279 HE2 LYS 36 1HE LYS 36 8.582 -6.557 -2.773 280 HE3 LYS 36 2HE LYS 36 8.752 -4.985 -3.567 281 HZ1 LYS 36 3HZ LYS 36 6.345 -4.775 -3.587 282 HZ2 LYS 36 1HZ LYS 36 6.810 -5.094 -2.058 283 HZ3 LYS 36 2HZ LYS 36 6.130 -6.269 -2.970 284 HA PRO 37 HA PRO 37 11.013 -11.339 -9.987 285 HB2 PRO 37 1HB PRO 37 10.832 -13.800 -8.772 286 HB3 PRO 37 2HB PRO 37 12.302 -12.796 -8.773 287 HG2 PRO 37 1HG PRO 37 10.203 -13.001 -6.595 288 HG3 PRO 37 2HG PRO 37 11.984 -13.105 -6.426 289 HD2 PRO 37 1HD PRO 37 10.632 -10.787 -5.966 290 HD3 PRO 37 2HD PRO 37 12.238 -10.779 -6.751 291 H TYR 38 H TYR 38 8.476 -11.824 -7.486 292 HA TYR 38 HA TYR 38 6.834 -13.270 -9.465 293 HB2 TYR 38 1HB TYR 38 6.282 -12.974 -6.516 294 HB3 TYR 38 2HB TYR 38 5.659 -14.175 -7.640 295 HD1 TYR 38 1HD TYR 38 7.937 -15.282 -9.020 296 HD2 TYR 38 2HD TYR 38 7.582 -14.006 -4.919 297 HE1 TYR 38 1HE TYR 38 9.773 -16.837 -8.377 298 HE2 TYR 38 2HE TYR 38 9.379 -15.617 -4.268 299 HH TYR 38 HH TYR 38 11.133 -17.594 -6.683 300 H LYS 39 H LYS 39 6.196 -11.492 -10.754 301 HA LYS 39 HA LYS 39 4.393 -9.437 -9.642 302 HB2 LYS 39 1HB LYS 39 5.106 -10.158 -12.510 303 HB3 LYS 39 2HB LYS 39 3.916 -8.950 -12.050 304 HG2 LYS 39 1HG LYS 39 5.640 -7.524 -12.217 305 HG3 LYS 39 2HG LYS 39 5.933 -8.008 -10.555 306 HD2 LYS 39 1HD LYS 39 7.596 -9.704 -11.374 307 HD3 LYS 39 2HD LYS 39 7.314 -9.119 -13.031 308 HE2 LYS 39 1HE LYS 39 7.955 -6.787 -12.200 309 HE3 LYS 39 2HE LYS 39 8.395 -7.535 -10.656 310 HZ1 LYS 39 3HZ LYS 39 10.335 -7.314 -12.014 311 HZ2 LYS 39 1HZ LYS 39 9.644 -8.106 -13.286 312 HZ3 LYS 39 2HZ LYS 39 10.003 -8.901 -11.875 313 H CYS 40 H CYS 40 2.219 -9.295 -9.876 314 HA CYS 40 HA CYS 40 0.705 -11.720 -9.718 315 HB2 CYS 40 1HB CYS 40 0.144 -9.736 -8.490 316 HB3 CYS 40 2HB CYS 40 -0.080 -8.805 -9.989 317 HA PRO 41 HA PRO 41 -0.037 -12.142 -14.178 318 HB2 PRO 41 1HB PRO 41 -1.880 -14.159 -14.145 319 HB3 PRO 41 2HB PRO 41 -0.152 -14.420 -13.769 320 HG2 PRO 41 1HG PRO 41 -2.438 -14.015 -11.813 321 HG3 PRO 41 2HG PRO 41 -1.177 -15.287 -11.793 322 HD2 PRO 41 1HD PRO 41 -0.986 -12.996 -10.305 323 HD3 PRO 41 2HD PRO 41 0.456 -13.781 -11.015 324 H GLN 42 H GLN 42 -2.235 -10.947 -11.815 325 HA GLN 42 HA GLN 42 -4.326 -10.330 -13.865 326 HB2 GLN 42 1HB GLN 42 -4.558 -11.021 -10.922 327 HB3 GLN 42 2HB GLN 42 -5.890 -10.379 -11.895 328 HG2 GLN 42 1HG GLN 42 -5.703 -12.278 -13.457 329 HG3 GLN 42 2HG GLN 42 -4.367 -12.946 -12.530 330 HE21 GLN 42 1HE2 GLN 42 -4.794 -13.841 -10.378 331 HE22 GLN 42 2HE2 GLN 42 -6.438 -14.322 -9.980 332 H CYS 43 H CYS 43 -2.234 -8.719 -11.421 333 HA CYS 43 HA CYS 43 -3.242 -6.188 -12.559 334 HB2 CYS 43 1HB CYS 43 -3.699 -5.185 -10.410 335 HB3 CYS 43 2HB CYS 43 -4.679 -6.627 -10.612 336 H SER 44 H SER 44 -1.967 -4.404 -11.005 337 HA SER 44 HA SER 44 0.776 -4.553 -11.995 338 HB2 SER 44 1HB SER 44 -0.694 -2.438 -10.377 339 HB3 SER 44 2HB SER 44 0.939 -2.257 -11.029 340 HG SER 44 HG SER 44 -1.432 -2.717 -12.547 341 H TYR 45 H TYR 45 -0.471 -5.955 -9.286 342 HA TYR 45 HA TYR 45 1.333 -5.225 -7.205 343 HB2 TYR 45 1HB TYR 45 -0.893 -6.244 -6.935 344 HB3 TYR 45 2HB TYR 45 -0.331 -7.726 -7.692 345 HD1 TYR 45 2HD TYR 45 -0.135 -5.479 -4.751 346 HD2 TYR 45 1HD TYR 45 1.069 -9.315 -6.321 347 HE1 TYR 45 2HE TYR 45 0.582 -6.181 -2.478 348 HE2 TYR 45 1HE TYR 45 1.781 -10.021 -4.030 349 HH TYR 45 HH TYR 45 1.443 -7.826 -1.204 350 H ALA 46 H ALA 46 3.033 -6.381 -6.297 351 HA ALA 46 HA ALA 46 4.163 -8.703 -7.653 352 HB1 ALA 46 1HB ALA 46 5.878 -6.212 -7.294 353 HB2 ALA 46 2HB ALA 46 6.386 -7.772 -7.993 354 HB3 ALA 46 3HB ALA 46 5.201 -6.756 -8.839 355 H SER 47 H SER 47 5.538 -9.956 -6.452 356 HA SER 47 HA SER 47 5.939 -9.303 -3.558 357 HB2 SER 47 1HB SER 47 3.984 -10.836 -3.969 358 HB3 SER 47 2HB SER 47 5.121 -11.986 -4.706 359 HG SER 47 HG SER 47 5.101 -12.624 -2.675 360 H ALA 48 H ALA 48 7.643 -10.351 -2.534 361 HA ALA 48 HA ALA 48 9.802 -11.509 -4.234 362 HB1 ALA 48 1HB ALA 48 10.405 -9.553 -2.855 363 HB2 ALA 48 2HB ALA 48 9.888 -10.428 -1.392 364 HB3 ALA 48 3HB ALA 48 11.271 -11.013 -2.344 365 H ILE 49 H ILE 49 7.190 -12.564 -2.505 366 HA ILE 49 HA ILE 49 8.417 -15.217 -1.921 367 HB ILE 49 HB ILE 49 6.320 -14.001 -0.112 368 HG12 ILE 49 1HG1 ILE 49 9.320 -13.722 0.230 369 HG13 ILE 49 2HG1 ILE 49 8.119 -12.429 0.046 370 HG21 ILE 49 1HG2 ILE 49 8.353 -16.219 0.344 371 HG22 ILE 49 2HG2 ILE 49 7.010 -15.761 1.416 372 HG23 ILE 49 3HG2 ILE 49 6.665 -16.478 -0.145 373 HD11 ILE 49 3HD1 ILE 49 7.067 -13.142 2.204 374 HD12 ILE 49 1HD1 ILE 49 8.427 -14.273 2.436 375 HD13 ILE 49 2HD1 ILE 49 8.729 -12.530 2.354 376 H LYS 50 H LYS 50 7.295 -16.856 -2.791 377 HA LYS 50 HA LYS 50 4.949 -16.422 -4.421 378 HB2 LYS 50 1HB LYS 50 6.327 -18.947 -3.431 379 HB3 LYS 50 2HB LYS 50 4.949 -18.951 -4.552 380 HG2 LYS 50 1HG LYS 50 6.308 -17.493 -6.109 381 HG3 LYS 50 2HG LYS 50 7.686 -17.726 -5.008 382 HD2 LYS 50 1HD LYS 50 7.563 -20.164 -5.336 383 HD3 LYS 50 2HD LYS 50 6.182 -19.948 -6.439 384 HE2 LYS 50 1HE LYS 50 7.622 -18.568 -7.933 385 HE3 LYS 50 2HE LYS 50 8.990 -18.847 -6.845 386 HZ1 LYS 50 3HZ LYS 50 9.007 -20.413 -8.704 387 HZ2 LYS 50 1HZ LYS 50 7.529 -20.979 -8.314 388 HZ3 LYS 50 2HZ LYS 50 8.794 -21.231 -7.310 389 H ALA 51 H ALA 51 5.297 -17.651 -1.108 390 HA ALA 51 HA ALA 51 2.553 -18.333 -0.683 391 HB1 ALA 51 1HB ALA 51 4.405 -19.058 0.777 392 HB2 ALA 51 2HB ALA 51 4.669 -17.376 1.298 393 HB3 ALA 51 3HB ALA 51 3.153 -18.206 1.701 394 H ASN 52 H ASN 52 4.275 -15.186 -0.216 395 HA ASN 52 HA ASN 52 1.914 -13.794 0.713 396 HB2 ASN 52 1HB ASN 52 4.128 -12.937 1.226 397 HB3 ASN 52 2HB ASN 52 4.515 -12.795 -0.491 398 HD21 ASN 52 1HD2 ASN 52 4.148 -10.855 -1.455 399 HD22 ASN 52 2HD2 ASN 52 2.964 -9.680 -0.890 400 H LEU 53 H LEU 53 3.278 -14.344 -2.585 401 HA LEU 53 HA LEU 53 1.267 -12.768 -3.877 402 HB2 LEU 53 1HB LEU 53 3.378 -13.502 -4.966 403 HB3 LEU 53 2HB LEU 53 2.778 -15.160 -4.987 404 HG LEU 53 HG LEU 53 0.912 -14.488 -6.471 405 HD11 LEU 53 1HD1 LEU 53 0.566 -12.142 -5.822 406 HD12 LEU 53 2HD1 LEU 53 0.933 -12.236 -7.538 407 HD13 LEU 53 3HD1 LEU 53 2.198 -11.718 -6.399 408 HD21 LEU 53 3HD2 LEU 53 3.123 -15.168 -7.425 409 HD22 LEU 53 1HD2 LEU 53 3.550 -13.441 -7.532 410 HD23 LEU 53 2HD2 LEU 53 2.196 -14.082 -8.477 411 H ASN 54 H ASN 54 1.180 -16.197 -2.776 412 HA ASN 54 HA ASN 54 -1.422 -16.747 -3.868 413 HB2 ASN 54 1HB ASN 54 0.131 -18.487 -3.096 414 HB3 ASN 54 2HB ASN 54 -0.027 -17.931 -1.432 415 HD21 ASN 54 1HD2 ASN 54 -1.769 -18.700 -0.204 416 HD22 ASN 54 2HD2 ASN 54 -3.039 -19.696 -0.897 417 H VAL 55 H VAL 55 -0.468 -15.305 -0.730 418 HA VAL 55 HA VAL 55 -3.126 -14.920 0.304 419 HB VAL 55 HB VAL 55 -0.519 -13.470 0.882 420 HG11 VAL 55 1HG1 VAL 55 -3.153 -13.333 2.411 421 HG12 VAL 55 2HG1 VAL 55 -1.583 -12.772 3.026 422 HG13 VAL 55 3HG1 VAL 55 -2.302 -11.979 1.630 423 HG21 VAL 55 3HG2 VAL 55 -0.605 -15.901 1.445 424 HG22 VAL 55 1HG2 VAL 55 -0.493 -14.883 2.882 425 HG23 VAL 55 2HG2 VAL 55 -2.052 -15.608 2.422 426 H HIS 56 H HIS 56 -1.305 -13.145 -2.079 427 HA HIS 56 HA HIS 56 -3.292 -10.974 -2.258 428 HB2 HIS 56 1HB HIS 56 -0.992 -10.449 -2.718 429 HB3 HIS 56 2HB HIS 56 -0.880 -11.712 -3.940 430 HD1 HIS 56 1HD HIS 56 -2.805 -8.398 -3.402 431 HD2 HIS 56 2HD HIS 56 -1.616 -11.118 -6.379 432 HE1 HIS 56 1HE HIS 56 -3.614 -7.418 -5.586 433 H LEU 57 H LEU 57 -2.515 -13.868 -4.282 434 HA LEU 57 HA LEU 57 -4.445 -13.381 -6.307 435 HB2 LEU 57 1HB LEU 57 -3.160 -15.881 -5.217 436 HB3 LEU 57 2HB LEU 57 -4.252 -15.953 -6.588 437 HG LEU 57 HG LEU 57 -1.767 -14.186 -6.617 438 HD11 LEU 57 1HD1 LEU 57 -2.109 -17.060 -7.567 439 HD12 LEU 57 2HD1 LEU 57 -1.110 -16.517 -6.203 440 HD13 LEU 57 3HD1 LEU 57 -0.684 -16.029 -7.853 441 HD21 LEU 57 3HD2 LEU 57 -2.042 -14.447 -9.065 442 HD22 LEU 57 1HD2 LEU 57 -3.421 -13.625 -8.327 443 HD23 LEU 57 2HD2 LEU 57 -3.551 -15.341 -8.803 444 H ARG 58 H ARG 58 -4.878 -15.027 -3.184 445 HA ARG 58 HA ARG 58 -7.563 -15.888 -3.625 446 HB2 ARG 58 1HB ARG 58 -7.777 -16.155 -1.269 447 HB3 ARG 58 2HB ARG 58 -6.188 -16.703 -1.811 448 HG2 ARG 58 1HG ARG 58 -5.164 -14.637 -1.019 449 HG3 ARG 58 2HG ARG 58 -6.724 -14.006 -0.476 450 HD2 ARG 58 1HD ARG 58 -5.436 -16.576 0.523 451 HD3 ARG 58 2HD ARG 58 -5.275 -15.024 1.342 452 HE ARG 58 HE ARG 58 -7.600 -16.801 1.336 453 HH11 ARG 58 2HH1 ARG 58 -6.636 -13.485 1.960 454 HH12 ARG 58 1HH1 ARG 58 -8.030 -13.180 2.958 455 HH21 ARG 58 1HH2 ARG 58 -9.352 -16.333 2.607 456 HH22 ARG 58 2HH2 ARG 58 -9.522 -14.751 3.308 457 H LYS 59 H LYS 59 -6.479 -12.666 -3.357 458 HA LYS 59 HA LYS 59 -9.112 -11.526 -2.637 459 HB2 LYS 59 1HB LYS 59 -6.696 -10.079 -3.792 460 HB3 LYS 59 2HB LYS 59 -8.093 -9.378 -2.980 461 HG2 LYS 59 1HG LYS 59 -7.425 -10.622 -0.880 462 HG3 LYS 59 2HG LYS 59 -5.938 -11.121 -1.716 463 HD2 LYS 59 1HD LYS 59 -5.304 -8.753 -2.032 464 HD3 LYS 59 2HD LYS 59 -6.783 -8.248 -1.178 465 HE2 LYS 59 1HE LYS 59 -6.037 -9.552 0.824 466 HE3 LYS 59 2HE LYS 59 -4.545 -9.982 -0.020 467 HZ1 LYS 59 3HZ LYS 59 -4.003 -7.593 -0.109 468 HZ2 LYS 59 1HZ LYS 59 -4.229 -8.059 1.438 469 HZ3 LYS 59 2HZ LYS 59 -5.388 -7.211 0.669 470 H HIS 60 H HIS 60 -7.440 -12.450 -5.576 471 HA HIS 60 HA HIS 60 -9.315 -11.033 -7.363 472 HB2 HIS 60 1HB HIS 60 -7.046 -13.003 -7.856 473 HB3 HIS 60 2HB HIS 60 -8.068 -12.344 -9.118 474 HD1 HIS 60 1HD HIS 60 -8.048 -9.454 -9.114 475 HD2 HIS 60 2HD HIS 60 -4.815 -11.698 -7.631 476 HE1 HIS 60 1HE HIS 60 -6.038 -7.918 -9.239 477 H THR 61 H THR 61 -8.814 -14.361 -6.183 478 HA THR 61 HA THR 61 -10.462 -15.608 -8.137 479 HB THR 61 HB THR 61 -8.654 -16.674 -6.760 480 HG1 THR 61 1HG THR 61 -9.756 -18.655 -6.798 481 HG21 THR 61 3HG2 THR 61 -10.870 -17.228 -4.744 482 HG22 THR 61 1HG2 THR 61 -9.640 -15.978 -4.500 483 HG23 THR 61 2HG2 THR 61 -9.152 -17.677 -4.653 484 H GLY 62 H GLY 62 -12.353 -16.976 -7.723 485 HA2 GLY 62 1HA GLY 62 -14.226 -16.667 -5.672 486 HA3 GLY 62 2HA GLY 62 -14.650 -15.442 -6.876 487 H GLU 63 H GLU 63 -14.143 -16.729 -9.280 488 HA GLU 63 HA GLU 63 -16.275 -18.697 -9.473 489 HB2 GLU 63 1HB GLU 63 -14.372 -17.477 -11.502 490 HB3 GLU 63 2HB GLU 63 -15.437 -18.827 -11.884 491 HG2 GLU 63 1HG GLU 63 -16.591 -16.910 -12.579 492 HG3 GLU 63 2HG GLU 63 -17.413 -17.505 -11.150 493 H LYS 64 H LYS 64 -16.176 -20.712 -9.907 494 HA LYS 64 HA LYS 64 -13.706 -22.333 -9.791 495 HB2 LYS 64 1HB LYS 64 -14.270 -23.447 -7.734 496 HB3 LYS 64 2HB LYS 64 -13.993 -21.725 -7.498 497 HG2 LYS 64 1HG LYS 64 -16.457 -21.336 -7.384 498 HG3 LYS 64 2HG LYS 64 -16.725 -23.066 -7.665 499 HD2 LYS 64 1HD LYS 64 -16.892 -22.767 -5.315 500 HD3 LYS 64 2HD LYS 64 -15.352 -23.564 -5.649 501 HE2 LYS 64 1HE LYS 64 -15.020 -21.922 -3.916 502 HE3 LYS 64 2HE LYS 64 -14.153 -21.405 -5.360 503 HZ1 LYS 64 3HZ LYS 64 -15.435 -19.610 -4.248 504 HZ2 LYS 64 1HZ LYS 64 -16.835 -20.372 -4.587 505 HZ3 LYS 64 2HZ LYS 64 -15.889 -19.787 -5.798 506 H PHE 65 H PHE 65 -14.127 -24.633 -9.746 507 HA PHE 65 HA PHE 65 -16.564 -25.481 -11.259 508 HB2 PHE 65 1HB PHE 65 -13.690 -26.442 -11.566 509 HB3 PHE 65 2HB PHE 65 -15.084 -27.045 -12.450 510 HD1 PHE 65 1HD PHE 65 -12.792 -24.168 -12.038 511 HD2 PHE 65 2HD PHE 65 -16.073 -25.802 -14.303 512 HE1 PHE 65 1HE PHE 65 -12.442 -22.434 -13.788 513 HE2 PHE 65 2HE PHE 65 -15.736 -24.060 -16.043 514 HZ PHE 65 HZ PHE 65 -13.914 -22.385 -15.795 515 H ALA 66 H ALA 66 -17.366 -27.585 -10.770 516 HA ALA 66 HA ALA 66 -16.463 -28.713 -8.154 517 HB1 ALA 66 1HB ALA 66 -18.797 -28.769 -7.449 518 HB2 ALA 66 2HB ALA 66 -18.333 -27.107 -7.865 519 HB3 ALA 66 3HB ALA 66 -19.314 -28.066 -8.996 520 H CYS 67 H CYS 67 -16.732 -30.832 -7.765 521 HA CYS 67 HA CYS 67 -16.843 -32.672 -9.973 522 HB2 CYS 67 1HB CYS 67 -15.388 -32.817 -8.010 523 HB3 CYS 67 2HB CYS 67 -16.801 -33.085 -6.984 524 H ASP 68 H ASP 68 -18.245 -34.231 -10.469 525 HA ASP 68 HA ASP 68 -21.104 -33.819 -9.760 526 HB2 ASP 68 1HB ASP 68 -20.321 -33.876 -12.151 527 HB3 ASP 68 2HB ASP 68 -19.859 -35.561 -11.915 528 H TYR 69 H TYR 69 -18.513 -35.752 -8.787 529 HA TYR 69 HA TYR 69 -20.219 -38.108 -8.055 530 HB2 TYR 69 1HB TYR 69 -17.258 -37.903 -8.599 531 HB3 TYR 69 2HB TYR 69 -18.118 -39.374 -8.172 532 HD1 TYR 69 1HD TYR 69 -19.697 -40.429 -9.792 533 HD2 TYR 69 2HD TYR 69 -17.283 -37.010 -10.841 534 HE1 TYR 69 1HE TYR 69 -20.065 -40.911 -12.202 535 HE2 TYR 69 2HE TYR 69 -17.663 -37.491 -13.260 536 HH TYR 69 HH TYR 69 -19.637 -40.271 -14.359 537 H CYS 70 H CYS 70 -18.155 -35.606 -6.719 538 HA CYS 70 HA CYS 70 -18.797 -36.505 -4.011 539 HB2 CYS 70 1HB CYS 70 -16.597 -36.515 -3.142 540 HB3 CYS 70 2HB CYS 70 -16.649 -37.619 -4.503 541 H SER 71 H SER 71 -17.444 -34.720 -2.512 542 HA SER 71 HA SER 71 -18.803 -32.198 -3.089 543 HB2 SER 71 1HB SER 71 -17.048 -32.974 -0.735 544 HB3 SER 71 2HB SER 71 -18.121 -31.565 -0.835 545 HG SER 71 HG SER 71 -19.099 -33.322 0.279 546 H PHE 72 H PHE 72 -15.869 -33.229 -4.223 547 HA PHE 72 HA PHE 72 -14.043 -31.193 -3.502 548 HB2 PHE 72 1HB PHE 72 -13.395 -33.338 -4.433 549 HB3 PHE 72 2HB PHE 72 -14.207 -32.967 -5.949 550 HD1 PHE 72 1HD PHE 72 -11.311 -32.049 -3.783 551 HD2 PHE 72 2HD PHE 72 -13.126 -31.715 -7.684 552 HE1 PHE 72 1HE PHE 72 -9.197 -31.112 -4.693 553 HE2 PHE 72 2HE PHE 72 -11.006 -30.799 -8.591 554 HZ PHE 72 HZ PHE 72 -9.044 -30.485 -7.092 555 H THR 73 H THR 73 -13.329 -29.319 -4.389 556 HA THR 73 HA THR 73 -14.495 -28.285 -6.895 557 HB THR 73 HB THR 73 -14.602 -25.989 -5.957 558 HG1 THR 73 1HG THR 73 -14.730 -25.807 -3.682 559 HG21 THR 73 3HG2 THR 73 -16.440 -27.919 -4.484 560 HG22 THR 73 1HG2 THR 73 -16.659 -27.361 -6.154 561 HG23 THR 73 2HG2 THR 73 -16.736 -26.199 -4.825 562 H CYS 74 H CYS 74 -13.207 -26.864 -8.052 563 HA CYS 74 HA CYS 74 -10.483 -26.220 -7.136 564 HB2 CYS 74 1HB CYS 74 -9.428 -27.283 -9.120 565 HB3 CYS 74 2HB CYS 74 -10.204 -28.461 -8.060 566 HG CYS 74 HG CYS 74 -12.469 -28.593 -9.396 567 H LEU 75 H LEU 75 -9.298 -24.974 -8.974 568 HA LEU 75 HA LEU 75 -11.193 -22.860 -9.857 569 HB2 LEU 75 1HB LEU 75 -8.197 -22.737 -9.419 570 HB3 LEU 75 2HB LEU 75 -9.256 -21.379 -9.793 571 HG LEU 75 HG LEU 75 -9.315 -23.034 -7.233 572 HD11 LEU 75 1HD1 LEU 75 -8.548 -20.939 -6.190 573 HD12 LEU 75 2HD1 LEU 75 -8.482 -20.161 -7.792 574 HD13 LEU 75 3HD1 LEU 75 -7.400 -21.515 -7.408 575 HD21 LEU 75 3HD2 LEU 75 -11.597 -22.280 -7.723 576 HD22 LEU 75 1HD2 LEU 75 -11.012 -20.633 -8.046 577 HD23 LEU 75 2HD2 LEU 75 -10.920 -21.318 -6.408 578 H SER 76 H SER 76 -10.257 -25.428 -11.451 579 HA SER 76 HA SER 76 -10.287 -24.023 -14.047 580 HB2 SER 76 1HB SER 76 -7.922 -24.185 -13.734 581 HB3 SER 76 2HB SER 76 -8.037 -25.862 -13.179 582 HG SER 76 HG SER 76 -7.392 -25.504 -15.451 583 H LYS 77 H LYS 77 -11.370 -25.108 -15.601 584 HA LYS 77 HA LYS 77 -12.850 -27.514 -15.053 585 HB2 LYS 77 1HB LYS 77 -13.425 -25.655 -16.686 586 HB3 LYS 77 2HB LYS 77 -12.193 -26.309 -17.773 587 HG2 LYS 77 1HG LYS 77 -13.432 -28.448 -17.907 588 HG3 LYS 77 2HG LYS 77 -14.571 -27.884 -16.676 589 HD2 LYS 77 1HD LYS 77 -15.606 -27.724 -18.849 590 HD3 LYS 77 2HD LYS 77 -15.355 -26.097 -18.201 591 HE2 LYS 77 1HE LYS 77 -13.329 -25.841 -19.618 592 HE3 LYS 77 2HE LYS 77 -13.539 -27.488 -20.227 593 HZ1 LYS 77 3HZ LYS 77 -15.666 -26.784 -21.192 594 HZ2 LYS 77 1HZ LYS 77 -14.461 -25.846 -21.762 595 HZ3 LYS 77 2HZ LYS 77 -15.473 -25.263 -20.624 596 H GLY 78 H GLY 78 -9.655 -26.968 -16.433 597 HA2 GLY 78 1HA GLY 78 -9.178 -29.656 -17.431 598 HA3 GLY 78 2HA GLY 78 -7.963 -28.433 -17.022 599 H HIS 79 H HIS 79 -8.519 -27.992 -14.300 600 HA HIS 79 HA HIS 79 -7.330 -30.272 -13.005 601 HB2 HIS 79 1HB HIS 79 -7.155 -27.854 -12.327 602 HB3 HIS 79 2HB HIS 79 -8.794 -27.964 -11.684 603 HD1 HIS 79 1HD HIS 79 -8.214 -30.986 -10.349 604 HD2 HIS 79 2HD HIS 79 -5.960 -27.452 -10.031 605 HE1 HIS 79 1HE HIS 79 -6.843 -31.204 -8.200 606 H LEU 80 H LEU 80 -10.728 -29.162 -13.280 607 HA LEU 80 HA LEU 80 -11.857 -31.191 -11.618 608 HB2 LEU 80 1HB LEU 80 -13.101 -29.177 -12.268 609 HB3 LEU 80 2HB LEU 80 -13.044 -29.655 -13.963 610 HG LEU 80 HG LEU 80 -14.430 -31.640 -13.490 611 HD11 LEU 80 1HD1 LEU 80 -13.838 -32.116 -11.147 612 HD12 LEU 80 2HD1 LEU 80 -15.564 -31.843 -11.315 613 HD13 LEU 80 3HD1 LEU 80 -14.541 -30.563 -10.634 614 HD21 LEU 80 3HD2 LEU 80 -15.717 -29.160 -12.323 615 HD22 LEU 80 1HD2 LEU 80 -16.515 -30.519 -13.125 616 HD23 LEU 80 2HD2 LEU 80 -15.474 -29.438 -14.067 617 H LYS 81 H LYS 81 -11.317 -31.143 -15.185 618 HA LYS 81 HA LYS 81 -12.287 -33.758 -15.741 619 HB2 LYS 81 1HB LYS 81 -11.738 -32.043 -17.445 620 HB3 LYS 81 2HB LYS 81 -10.013 -32.237 -17.097 621 HG2 LYS 81 1HG LYS 81 -10.125 -34.606 -17.818 622 HG3 LYS 81 2HG LYS 81 -11.864 -34.438 -18.124 623 HD2 LYS 81 1HD LYS 81 -11.398 -32.728 -19.856 624 HD3 LYS 81 2HD LYS 81 -9.655 -32.861 -19.525 625 HE2 LYS 81 1HE LYS 81 -9.721 -35.265 -20.152 626 HE3 LYS 81 2HE LYS 81 -11.452 -35.137 -20.482 627 HZ1 LYS 81 3HZ LYS 81 -10.930 -33.530 -22.242 628 HZ2 LYS 81 1HZ LYS 81 -10.144 -34.934 -22.516 629 HZ3 LYS 81 2HZ LYS 81 -9.328 -33.648 -21.934 630 H VAL 82 H VAL 82 -8.954 -32.759 -14.854 631 HA VAL 82 HA VAL 82 -7.851 -35.392 -14.761 632 HB VAL 82 HB VAL 82 -7.073 -32.826 -13.324 633 HG11 VAL 82 1HG1 VAL 82 -6.125 -34.663 -11.997 634 HG12 VAL 82 2HG1 VAL 82 -5.501 -35.435 -13.473 635 HG13 VAL 82 3HG1 VAL 82 -4.856 -33.874 -12.930 636 HG21 VAL 82 3HG2 VAL 82 -5.296 -32.737 -15.006 637 HG22 VAL 82 1HG2 VAL 82 -5.820 -34.293 -15.691 638 HG23 VAL 82 2HG2 VAL 82 -6.855 -32.863 -15.824 639 H HIS 83 H HIS 83 -9.401 -33.491 -12.086 640 HA HIS 83 HA HIS 83 -9.091 -35.456 -10.063 641 HB2 HIS 83 1HB HIS 83 -9.833 -33.237 -9.506 642 HB3 HIS 83 2HB HIS 83 -11.245 -33.364 -10.549 643 HD1 HIS 83 1HD HIS 83 -10.001 -34.638 -7.141 644 HD2 HIS 83 2HD HIS 83 -13.402 -34.605 -9.609 645 HE1 HIS 83 1HE HIS 83 -11.892 -35.553 -5.721 646 H ILE 84 H ILE 84 -11.796 -35.096 -12.432 647 HA ILE 84 HA ILE 84 -13.225 -37.388 -11.455 648 HB ILE 84 HB ILE 84 -13.363 -35.899 -14.091 649 HG12 ILE 84 1HG1 ILE 84 -15.212 -35.956 -11.648 650 HG13 ILE 84 2HG1 ILE 84 -14.026 -34.698 -11.959 651 HG21 ILE 84 1HG2 ILE 84 -15.205 -38.091 -13.019 652 HG22 ILE 84 2HG2 ILE 84 -15.513 -37.104 -14.469 653 HG23 ILE 84 3HG2 ILE 84 -14.158 -38.214 -14.455 654 HD11 ILE 84 3HD1 ILE 84 -15.204 -34.116 -14.082 655 HD12 ILE 84 1HD1 ILE 84 -16.488 -35.271 -13.638 656 HD13 ILE 84 2HD1 ILE 84 -16.167 -33.872 -12.611 657 H GLU 85 H GLU 85 -10.905 -37.101 -14.191 658 HA GLU 85 HA GLU 85 -10.989 -39.796 -15.056 659 HB2 GLU 85 1HB GLU 85 -8.791 -37.710 -15.057 660 HB3 GLU 85 2HB GLU 85 -8.578 -39.306 -15.785 661 HG2 GLU 85 1HG GLU 85 -10.453 -38.960 -17.285 662 HG3 GLU 85 2HG GLU 85 -10.796 -37.382 -16.601 663 H ARG 86 H ARG 86 -8.778 -38.342 -12.567 664 HA ARG 86 HA ARG 86 -7.475 -40.864 -12.002 665 HB2 ARG 86 1HB ARG 86 -7.464 -38.061 -10.826 666 HB3 ARG 86 2HB ARG 86 -6.617 -39.373 -10.030 667 HG2 ARG 86 1HG ARG 86 -5.188 -37.998 -11.484 668 HG3 ARG 86 2HG ARG 86 -5.144 -39.735 -11.812 669 HD2 ARG 86 1HD ARG 86 -6.481 -39.401 -13.849 670 HD3 ARG 86 2HD ARG 86 -6.565 -37.661 -13.508 671 HE ARG 86 HE ARG 86 -3.844 -38.676 -13.577 672 HH11 ARG 86 2HH1 ARG 86 -6.370 -37.489 -15.751 673 HH12 ARG 86 1HH1 ARG 86 -5.212 -37.013 -16.935 674 HH21 ARG 86 2HH2 ARG 86 -2.451 -38.030 -15.163 675 HH22 ARG 86 1HH2 ARG 86 -3.064 -37.306 -16.618 676 H VAL 87 H VAL 87 -10.140 -39.150 -10.358 677 HA VAL 87 HA VAL 87 -9.951 -41.075 -8.107 678 HB VAL 87 HB VAL 87 -11.579 -38.529 -8.308 679 HG11 VAL 87 1HG1 VAL 87 -11.616 -38.667 -5.832 680 HG12 VAL 87 2HG1 VAL 87 -12.462 -40.022 -6.572 681 HG13 VAL 87 3HG1 VAL 87 -10.828 -40.259 -5.914 682 HG21 VAL 87 3HG2 VAL 87 -9.151 -38.019 -8.420 683 HG22 VAL 87 1HG2 VAL 87 -9.802 -37.566 -6.847 684 HG23 VAL 87 2HG2 VAL 87 -8.860 -39.064 -7.013 685 H HIS 88 H HIS 88 -12.311 -40.228 -10.650 686 HA HIS 88 HA HIS 88 -14.240 -42.171 -9.402 687 HB2 HIS 88 1HB HIS 88 -14.818 -39.672 -11.015 688 HB3 HIS 88 2HB HIS 88 -16.003 -40.734 -10.262 689 HD1 HIS 88 1HD HIS 88 -15.629 -40.864 -7.384 690 HD2 HIS 88 2HD HIS 88 -14.259 -37.585 -9.621 691 HE1 HIS 88 1HE HIS 88 -15.442 -38.933 -5.739 692 H LYS 89 H LYS 89 -12.837 -41.184 -12.513 693 HA LYS 89 HA LYS 89 -14.707 -42.577 -14.153 694 HB2 LYS 89 1HB LYS 89 -13.076 -40.649 -14.689 695 HB3 LYS 89 2HB LYS 89 -11.833 -41.886 -14.860 696 HG2 LYS 89 1HG LYS 89 -12.740 -41.134 -17.007 697 HG3 LYS 89 2HG LYS 89 -12.992 -42.858 -16.762 698 HD2 LYS 89 1HD LYS 89 -14.914 -41.685 -17.808 699 HD3 LYS 89 2HD LYS 89 -15.336 -42.542 -16.322 700 HE2 LYS 89 1HE LYS 89 -15.247 -40.379 -15.069 701 HE3 LYS 89 2HE LYS 89 -14.856 -39.534 -16.576 702 HZ1 LYS 89 3HZ LYS 89 -17.012 -40.222 -17.452 703 HZ2 LYS 89 1HZ LYS 89 -17.251 -39.452 -16.030 704 HZ3 LYS 89 2HZ LYS 89 -17.359 -41.073 -16.100 705 H LYS 90 H LYS 90 -12.016 -43.777 -12.423 706 HA LYS 90 HA LYS 90 -12.642 -46.540 -13.294 707 HB2 LYS 90 1HB LYS 90 -10.536 -45.809 -14.449 708 HB3 LYS 90 2HB LYS 90 -9.820 -45.447 -12.884 709 HG2 LYS 90 1HG LYS 90 -8.968 -47.543 -13.677 710 HG3 LYS 90 2HG LYS 90 -9.971 -47.864 -12.267 711 HD2 LYS 90 1HD LYS 90 -11.826 -48.612 -13.762 712 HD3 LYS 90 2HD LYS 90 -10.831 -48.218 -15.179 713 HE2 LYS 90 1HE LYS 90 -9.119 -49.858 -14.409 714 HE3 LYS 90 2HE LYS 90 -10.129 -50.260 -13.017 715 HZ1 LYS 90 3HZ LYS 90 -10.446 -51.846 -14.828 716 HZ2 LYS 90 1HZ LYS 90 -10.902 -50.669 -15.860 717 HZ3 LYS 90 2HZ LYS 90 -11.843 -51.043 -14.576 718 H ILE 91 H ILE 91 -12.555 -48.047 -11.596 719 HA ILE 91 HA ILE 91 -13.137 -47.058 -9.005 720 HB ILE 91 HB ILE 91 -13.209 -49.399 -8.307 721 HG12 ILE 91 1HG1 ILE 91 -12.346 -50.101 -11.154 722 HG13 ILE 91 2HG1 ILE 91 -11.335 -50.271 -9.715 723 HG21 ILE 91 1HG2 ILE 91 -15.159 -49.964 -9.622 724 HG22 ILE 91 2HG2 ILE 91 -15.116 -48.215 -9.420 725 HG23 ILE 91 3HG2 ILE 91 -14.626 -48.938 -10.967 726 HD11 ILE 91 3HD1 ILE 91 -13.913 -51.777 -10.285 727 HD12 ILE 91 1HD1 ILE 91 -12.264 -52.422 -10.246 728 HD13 ILE 91 2HD1 ILE 91 -13.020 -51.844 -8.745 729 H LYS 92 H LYS 92 -12.176 -47.376 -7.070 730 HA LYS 92 HA LYS 92 -9.181 -47.286 -7.007 731 HB2 LYS 92 1HB LYS 92 -11.185 -46.136 -5.038 732 HB3 LYS 92 2HB LYS 92 -9.441 -45.967 -4.955 733 HG2 LYS 92 1HG LYS 92 -11.227 -44.755 -7.123 734 HG3 LYS 92 2HG LYS 92 -10.613 -43.938 -5.700 735 HD2 LYS 92 1HD LYS 92 -9.173 -43.203 -7.327 736 HD3 LYS 92 2HD LYS 92 -8.238 -44.493 -6.565 737 HE2 LYS 92 1HE LYS 92 -8.868 -46.025 -8.423 738 HE3 LYS 92 2HE LYS 92 -9.887 -44.763 -9.123 739 HZ1 LYS 92 3HZ LYS 92 -6.944 -44.547 -8.779 740 HZ2 LYS 92 1HZ LYS 92 -7.916 -43.424 -9.481 741 HZ3 LYS 92 2HZ LYS 92 -7.700 -44.882 -10.189
Contact the webmaster for help, if required. Friday, May 17, 2024 9:37:36 PM GMT (wattos1)