NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601975 | 2mdp | 19498 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 15.919 -4.526 -2.582 2 HB2 MET 1 1HB MET 1 14.780 -6.499 -0.595 3 HB3 MET 1 2HB MET 1 16.402 -6.592 -1.266 4 HG2 MET 1 1HG MET 1 16.927 -4.426 -0.265 5 HG3 MET 1 2HG MET 1 15.310 -4.361 0.423 6 HE1 MET 1 3HE MET 1 17.739 -3.942 2.316 7 HE2 MET 1 1HE MET 1 17.295 -4.995 3.658 8 HE3 MET 1 2HE MET 1 16.060 -4.035 2.844 9 H GLY 2 H GLY 2 13.023 -6.527 -2.479 10 HA2 GLY 2 1HA GLY 2 13.467 -7.442 -5.161 11 HA3 GLY 2 2HA GLY 2 13.686 -8.698 -3.943 12 H ARG 3 H ARG 3 11.785 -9.243 -5.633 13 HA ARG 3 HA ARG 3 9.318 -8.646 -4.169 14 HB2 ARG 3 1HB ARG 3 9.415 -7.304 -6.234 15 HB3 ARG 3 2HB ARG 3 9.629 -8.770 -7.173 16 HG2 ARG 3 1HG ARG 3 7.416 -9.515 -6.603 17 HG3 ARG 3 2HG ARG 3 7.215 -8.144 -5.501 18 HD2 ARG 3 1HD ARG 3 7.702 -7.882 -8.460 19 HD3 ARG 3 2HD ARG 3 6.102 -7.859 -7.721 20 HE ARG 3 HE ARG 3 7.136 -5.889 -6.384 21 HH11 ARG 3 1HH2 ARG 3 7.858 -6.627 -9.736 22 HH12 ARG 3 2HH2 ARG 3 8.075 -4.976 -10.191 23 HH21 ARG 3 1HH1 ARG 3 7.452 -3.656 -7.001 24 HH22 ARG 3 2HH1 ARG 3 7.845 -3.297 -8.641 25 H LEU 4 H LEU 4 8.144 -10.391 -3.647 26 HA LEU 4 HA LEU 4 9.177 -13.008 -4.377 27 HB2 LEU 4 1HB LEU 4 7.109 -12.137 -2.364 28 HB3 LEU 4 2HB LEU 4 7.453 -13.817 -2.708 29 HG LEU 4 HG LEU 4 8.612 -13.270 -0.722 30 HD11 LEU 4 1HD1 LEU 4 9.866 -14.654 -2.250 31 HD12 LEU 4 2HD1 LEU 4 10.940 -13.622 -1.309 32 HD13 LEU 4 3HD1 LEU 4 10.583 -13.222 -2.987 33 HD21 LEU 4 3HD2 LEU 4 10.271 -11.420 -0.609 34 HD22 LEU 4 1HD2 LEU 4 8.605 -10.872 -0.790 35 HD23 LEU 4 2HD2 LEU 4 9.691 -10.862 -2.176 36 H TYR 5 H TYR 5 7.681 -14.790 -4.876 37 HA TYR 5 HA TYR 5 5.361 -13.916 -6.466 38 HB2 TYR 5 1HB TYR 5 7.407 -16.024 -7.216 39 HB3 TYR 5 2HB TYR 5 5.919 -15.705 -8.103 40 HD1 TYR 5 HD1 TYR 5 9.241 -14.364 -7.221 41 HD2 TYR 5 HD2 TYR 5 5.755 -13.833 -9.599 42 HE1 TYR 5 HE1 TYR 5 10.420 -12.679 -8.556 43 HE2 TYR 5 HE2 TYR 5 6.930 -12.142 -10.947 44 HH TYR 5 HH TYR 5 10.305 -11.674 -10.757 45 H SER 6 H SER 6 3.538 -14.850 -5.736 46 HA SER 6 HA SER 6 3.413 -17.632 -5.126 47 HB2 SER 6 1HB SER 6 2.496 -17.328 -2.803 48 HB3 SER 6 2HB SER 6 4.213 -16.966 -2.960 49 HG SER 6 HG SER 6 3.415 -15.284 -1.857 50 H GLY 7 H GLY 7 1.106 -18.237 -4.403 51 HA2 GLY 7 1HA GLY 7 -0.662 -17.327 -6.381 52 HA3 GLY 7 2HA GLY 7 -1.092 -18.331 -5.011 53 H ASN 8 H ASN 8 -0.580 -16.519 -2.864 54 HA ASN 8 HA ASN 8 -2.947 -14.977 -2.922 55 HB2 ASN 8 1HB ASN 8 -0.624 -14.802 -0.986 56 HB3 ASN 8 2HB ASN 8 -2.261 -14.223 -0.711 57 HD21 ASN 8 2HD2 ASN 8 -3.897 -15.707 -0.297 58 HD22 ASN 8 1HD2 ASN 8 -3.554 -17.344 0.146 59 H LEU 9 H LEU 9 0.059 -14.414 -4.116 60 HA LEU 9 HA LEU 9 -0.055 -11.505 -3.767 61 HB2 LEU 9 1HB LEU 9 2.103 -13.190 -5.003 62 HB3 LEU 9 2HB LEU 9 2.141 -11.443 -4.953 63 HG LEU 9 HG LEU 9 2.182 -13.299 -2.575 64 HD11 LEU 9 1HD1 LEU 9 4.280 -13.252 -3.806 65 HD12 LEU 9 2HD1 LEU 9 4.442 -12.433 -2.255 66 HD13 LEU 9 3HD1 LEU 9 4.297 -11.489 -3.736 67 HD21 LEU 9 3HD2 LEU 9 2.559 -11.249 -1.269 68 HD22 LEU 9 1HD2 LEU 9 0.966 -11.287 -2.018 69 HD23 LEU 9 2HD2 LEU 9 2.241 -10.286 -2.712 70 H ALA 10 H ALA 10 -1.402 -13.587 -5.874 71 HA ALA 10 HA ALA 10 -0.851 -12.531 -8.406 72 HB1 ALA 10 3HB ALA 10 -3.441 -13.741 -7.431 73 HB2 ALA 10 1HB ALA 10 -2.057 -14.641 -8.048 74 HB3 ALA 10 2HB ALA 10 -2.950 -13.563 -9.115 75 H ALA 11 H ALA 11 -3.501 -11.711 -6.169 76 HA ALA 11 HA ALA 11 -4.414 -9.518 -7.754 77 HB1 ALA 11 3HB ALA 11 -4.962 -10.112 -4.844 78 HB2 ALA 11 1HB ALA 11 -5.892 -10.729 -6.209 79 HB3 ALA 11 2HB ALA 11 -5.862 -9.001 -5.874 80 H PHE 12 H PHE 12 -2.252 -9.905 -5.098 81 HA PHE 12 HA PHE 12 -1.961 -7.241 -4.228 82 HB2 PHE 12 1HB PHE 12 -1.072 -9.228 -3.021 83 HB3 PHE 12 2HB PHE 12 0.176 -9.393 -4.252 84 HD1 PHE 12 HD1 PHE 12 -0.990 -7.457 -1.379 85 HD2 PHE 12 HD2 PHE 12 2.063 -7.872 -4.313 86 HE1 PHE 12 HE1 PHE 12 0.453 -5.947 -0.084 87 HE2 PHE 12 HE2 PHE 12 3.514 -6.369 -3.026 88 HZ PHE 12 HZ PHE 12 2.708 -5.401 -0.903 89 H LYS 13 H LYS 13 0.171 -9.029 -6.522 90 HA LYS 13 HA LYS 13 1.788 -7.062 -7.400 91 HB2 LYS 13 1HB LYS 13 0.490 -9.135 -9.169 92 HB3 LYS 13 2HB LYS 13 1.934 -8.222 -9.574 93 HG2 LYS 13 1HG LYS 13 1.664 -10.156 -7.284 94 HG3 LYS 13 2HG LYS 13 2.436 -10.494 -8.832 95 HD2 LYS 13 1HD LYS 13 4.088 -8.746 -8.389 96 HD3 LYS 13 2HD LYS 13 3.303 -8.393 -6.847 97 HE2 LYS 13 1HE LYS 13 5.236 -9.804 -6.485 98 HE3 LYS 13 2HE LYS 13 3.761 -10.689 -6.107 99 HZ1 LYS 13 3HZ LYS 13 3.902 -11.834 -8.195 100 HZ2 LYS 13 1HZ LYS 13 5.371 -11.997 -7.376 101 HZ3 LYS 13 2HZ LYS 13 5.238 -10.916 -8.673 102 H ALA 14 H ALA 14 -1.557 -7.455 -8.440 103 HA ALA 14 HA ALA 14 -1.484 -5.760 -10.677 104 HB1 ALA 14 3HB ALA 14 -3.885 -5.736 -10.561 105 HB2 ALA 14 1HB ALA 14 -3.852 -6.272 -8.880 106 HB3 ALA 14 2HB ALA 14 -3.306 -7.355 -10.165 107 H ALA 15 H ALA 15 -1.908 -5.030 -7.269 108 HA ALA 15 HA ALA 15 -2.951 -2.430 -7.525 109 HB1 ALA 15 3HB ALA 15 -3.043 -3.718 -5.449 110 HB2 ALA 15 1HB ALA 15 -2.346 -2.117 -5.193 111 HB3 ALA 15 2HB ALA 15 -1.299 -3.538 -5.265 112 H THR 16 H THR 16 0.399 -3.582 -7.546 113 HA THR 16 HA THR 16 1.871 -1.380 -7.068 114 HB THR 16 HB THR 16 2.498 -3.264 -9.341 115 HG1 THR 16 HG1 THR 16 2.101 -4.715 -7.811 116 HG21 THR 16 3HG2 THR 16 4.798 -2.970 -8.563 117 HG22 THR 16 1HG2 THR 16 4.239 -1.907 -7.272 118 HG23 THR 16 2HG2 THR 16 4.072 -1.409 -8.953 119 H ASN 17 H ASN 17 0.234 -2.103 -10.143 120 HA ASN 17 HA ASN 17 1.522 -0.199 -11.756 121 HB2 ASN 17 1HB ASN 17 0.135 -2.017 -12.665 122 HB3 ASN 17 2HB ASN 17 -1.302 -1.260 -11.998 123 HD21 ASN 17 2HD2 ASN 17 -2.260 -1.121 -14.023 124 HD22 ASN 17 1HD2 ASN 17 -1.747 0.035 -15.201 125 H LYS 18 H LYS 18 -1.030 0.186 -9.414 126 HA LYS 18 HA LYS 18 -2.018 2.712 -10.330 127 HB2 LYS 18 1HB LYS 18 -2.303 1.265 -7.703 128 HB3 LYS 18 2HB LYS 18 -3.043 2.821 -8.033 129 HG2 LYS 18 1HG LYS 18 -3.573 0.296 -9.582 130 HG3 LYS 18 2HG LYS 18 -4.590 0.921 -8.283 131 HD2 LYS 18 1HD LYS 18 -4.896 3.008 -9.583 132 HD3 LYS 18 2HD LYS 18 -3.978 2.286 -10.904 133 HE2 LYS 18 1HE LYS 18 -6.562 1.227 -9.760 134 HE3 LYS 18 2HE LYS 18 -6.378 2.102 -11.279 135 HZ1 LYS 18 3HZ LYS 18 -5.216 -0.538 -10.622 136 HZ2 LYS 18 1HZ LYS 18 -4.947 0.297 -12.063 137 HZ3 LYS 18 2HZ LYS 18 -6.495 -0.254 -11.678 138 H LEU 19 H LEU 19 0.500 1.670 -8.148 139 HA LEU 19 HA LEU 19 0.704 3.882 -6.459 140 HB2 LEU 19 1HB LEU 19 2.882 2.026 -7.415 141 HB3 LEU 19 2HB LEU 19 2.996 3.088 -6.024 142 HG LEU 19 HG LEU 19 1.076 0.770 -6.291 143 HD11 LEU 19 1HD1 LEU 19 3.418 0.072 -6.100 144 HD12 LEU 19 2HD1 LEU 19 2.475 -0.347 -4.670 145 HD13 LEU 19 3HD1 LEU 19 3.578 1.035 -4.630 146 HD21 LEU 19 3HD2 LEU 19 0.634 1.146 -3.917 147 HD22 LEU 19 1HD2 LEU 19 0.190 2.553 -4.881 148 HD23 LEU 19 2HD2 LEU 19 1.681 2.564 -3.937 149 H PHE 20 H PHE 20 2.441 3.236 -9.505 150 HA PHE 20 HA PHE 20 4.014 5.574 -9.420 151 HB2 PHE 20 1HB PHE 20 4.528 3.619 -10.880 152 HB3 PHE 20 2HB PHE 20 3.148 4.046 -11.884 153 HD1 PHE 20 HD1 PHE 20 6.499 5.104 -10.799 154 HD2 PHE 20 HD2 PHE 20 3.269 5.819 -13.481 155 HE1 PHE 20 HE1 PHE 20 7.925 6.624 -12.112 156 HE2 PHE 20 HE2 PHE 20 4.690 7.335 -14.794 157 HZ PHE 20 HZ PHE 20 7.024 7.740 -14.110 158 H GLN 21 H GLN 21 0.853 4.915 -10.799 159 HA GLN 21 HA GLN 21 0.652 7.345 -12.254 160 HB2 GLN 21 1HB GLN 21 -1.493 5.402 -11.408 161 HB3 GLN 21 2HB GLN 21 -1.738 6.749 -12.508 162 HG2 GLN 21 1HG GLN 21 0.112 4.421 -12.960 163 HG3 GLN 21 2HG GLN 21 -1.469 4.648 -13.704 164 HE21 GLN 21 2HE2 GLN 21 1.157 4.383 -14.931 165 HE22 GLN 21 1HE2 GLN 21 1.382 5.802 -15.896 166 H LEU 22 H LEU 22 0.403 6.827 -8.880 167 HA LEU 22 HA LEU 22 -1.327 9.177 -8.659 168 HB2 LEU 22 1HB LEU 22 -2.133 7.112 -7.544 169 HB3 LEU 22 2HB LEU 22 -0.672 7.081 -6.585 170 HG LEU 22 HG LEU 22 -1.346 9.189 -5.495 171 HD11 LEU 22 1HD1 LEU 22 -3.856 8.890 -7.148 172 HD12 LEU 22 2HD1 LEU 22 -2.646 10.164 -7.312 173 HD13 LEU 22 3HD1 LEU 22 -3.614 10.055 -5.845 174 HD21 LEU 22 3HD2 LEU 22 -3.495 7.079 -5.440 175 HD22 LEU 22 1HD2 LEU 22 -3.157 8.261 -4.179 176 HD23 LEU 22 2HD2 LEU 22 -1.978 7.004 -4.546 177 H ASP 23 H ASP 23 1.776 8.228 -8.714 178 HA ASP 23 HA ASP 23 3.749 9.211 -8.308 179 HB2 ASP 23 1HB ASP 23 2.564 11.231 -9.191 180 HB3 ASP 23 2HB ASP 23 2.209 11.684 -7.527 181 H LEU 24 H LEU 24 3.330 7.562 -6.419 182 HA LEU 24 HA LEU 24 4.345 8.943 -4.058 183 HB2 LEU 24 1HB LEU 24 2.968 7.453 -2.558 184 HB3 LEU 24 2HB LEU 24 2.097 8.719 -3.387 185 HG LEU 24 HG LEU 24 1.360 6.957 -5.063 186 HD11 LEU 24 1HD1 LEU 24 1.405 4.640 -4.326 187 HD12 LEU 24 2HD1 LEU 24 2.389 5.093 -2.939 188 HD13 LEU 24 3HD1 LEU 24 3.036 5.261 -4.569 189 HD21 LEU 24 3HD2 LEU 24 0.525 6.720 -2.178 190 HD22 LEU 24 1HD2 LEU 24 -0.381 6.085 -3.552 191 HD23 LEU 24 2HD2 LEU 24 -0.135 7.823 -3.385 192 H ALA 25 H ALA 25 5.079 7.140 -2.353 193 HA ALA 25 HA ALA 25 6.327 4.936 -3.808 194 HB1 ALA 25 3HB ALA 25 7.780 6.854 -1.982 195 HB2 ALA 25 1HB ALA 25 7.998 6.709 -3.727 196 HB3 ALA 25 2HB ALA 25 8.463 5.378 -2.666 197 H VAL 26 H VAL 26 6.897 3.141 -2.462 198 HA VAL 26 HA VAL 26 6.047 3.201 0.299 199 HB VAL 26 HB VAL 26 3.930 2.607 -0.653 200 HG11 VAL 26 1HG1 VAL 26 4.596 2.009 -2.888 201 HG12 VAL 26 2HG1 VAL 26 3.649 0.691 -2.186 202 HG13 VAL 26 3HG1 VAL 26 5.404 0.558 -2.294 203 HG21 VAL 26 3HG2 VAL 26 4.647 1.268 1.298 204 HG22 VAL 26 1HG2 VAL 26 5.253 0.032 0.200 205 HG23 VAL 26 2HG2 VAL 26 3.527 0.394 0.255 206 H ILE 27 H ILE 27 7.209 1.795 1.553 207 HA ILE 27 HA ILE 27 8.731 -0.313 0.208 208 HB ILE 27 HB ILE 27 10.696 0.169 1.644 209 HG12 ILE 27 1HG1 ILE 27 9.313 2.788 2.258 210 HG13 ILE 27 2HG1 ILE 27 9.456 1.446 3.388 211 HG21 ILE 27 1HG2 ILE 27 11.534 2.086 0.367 212 HG22 ILE 27 2HG2 ILE 27 9.891 2.422 -0.179 213 HG23 ILE 27 3HG2 ILE 27 10.689 0.922 -0.658 214 HD11 ILE 27 3HD1 ILE 27 11.889 1.667 3.335 215 HD12 ILE 27 1HD1 ILE 27 11.111 3.168 3.834 216 HD13 ILE 27 2HD1 ILE 27 11.738 3.001 2.192 217 H TYR 28 H TYR 28 8.782 -2.173 1.290 218 HA TYR 28 HA TYR 28 7.682 -2.170 4.016 219 HB2 TYR 28 1HB TYR 28 6.926 -4.455 3.669 220 HB3 TYR 28 2HB TYR 28 6.315 -3.410 2.392 221 HD1 TYR 28 HD2 TYR 28 7.314 -3.570 0.090 222 HD2 TYR 28 HD1 TYR 28 8.329 -6.311 3.189 223 HE1 TYR 28 HE2 TYR 28 8.189 -5.146 -1.589 224 HE2 TYR 28 HE1 TYR 28 9.202 -7.888 1.517 225 HH TYR 28 HH TYR 28 9.889 -7.066 -1.629 226 H ASP 29 H ASP 29 8.538 -3.591 5.576 227 HA ASP 29 HA ASP 29 11.344 -4.342 5.078 228 HB2 ASP 29 1HB ASP 29 11.246 -2.295 6.438 229 HB3 ASP 29 2HB ASP 29 10.206 -3.110 7.594 230 H ASP 30 H ASP 30 11.723 -6.405 5.392 231 HA ASP 30 HA ASP 30 10.421 -7.933 7.472 232 HB2 ASP 30 1HB ASP 30 8.724 -8.343 5.933 233 HB3 ASP 30 2HB ASP 30 9.823 -8.314 4.556 234 H TRP 31 H TRP 31 11.815 -9.429 8.293 235 HA TRP 31 HA TRP 31 13.172 -11.267 8.221 236 HB2 TRP 31 1HB TRP 31 13.084 -11.524 5.754 237 HB3 TRP 31 2HB TRP 31 14.263 -10.232 5.581 238 HD1 TRP 31 HD1 TRP 31 16.720 -10.997 5.409 239 HE1 TRP 31 HE1 TRP 31 18.002 -13.172 5.889 240 HE3 TRP 31 HE3 TRP 31 12.945 -13.730 7.537 241 HZ2 TRP 31 HZ2 TRP 31 17.494 -15.705 7.010 242 HZ3 TRP 31 HZ3 TRP 31 13.440 -16.023 8.286 243 HH2 TRP 31 HH2 TRP 31 15.663 -16.984 8.025 244 H TYR 32 H TYR 32 13.628 -8.077 8.395 245 HA TYR 32 HA TYR 32 16.309 -8.410 9.547 246 HB2 TYR 32 1HB TYR 32 15.055 -5.936 8.337 247 HB3 TYR 32 2HB TYR 32 16.607 -5.962 9.163 248 HD1 TYR 32 HD1 TYR 32 14.790 -6.984 6.134 249 HD2 TYR 32 HD2 TYR 32 18.563 -6.892 8.094 250 HE1 TYR 32 HE1 TYR 32 15.890 -7.561 4.020 251 HE2 TYR 32 HE2 TYR 32 19.682 -7.475 5.979 252 HH TYR 32 HH TYR 32 18.073 -7.358 2.974 253 H ASP 33 H ASP 33 16.520 -8.002 11.662 254 HA ASP 33 HA ASP 33 14.620 -6.331 13.081 255 HB2 ASP 33 1HB ASP 33 13.517 -8.564 13.079 256 HB3 ASP 33 2HB ASP 33 14.953 -9.260 13.817 257 H ALA 34 H ALA 34 15.284 -6.135 15.436 258 HA ALA 34 HA ALA 34 18.100 -5.714 15.557 259 HB1 ALA 34 3HB ALA 34 15.942 -5.344 17.625 260 HB2 ALA 34 1HB ALA 34 16.614 -4.105 16.567 261 HB3 ALA 34 2HB ALA 34 17.621 -4.833 17.824 262 H TYR 35 H TYR 35 17.077 -6.694 18.683 263 HA TYR 35 HA TYR 35 18.835 -8.987 18.447 264 HB2 TYR 35 1HB TYR 35 19.439 -7.367 20.121 265 HB3 TYR 35 2HB TYR 35 17.820 -7.381 20.800 266 HD1 TYR 35 HD1 TYR 35 20.820 -9.528 20.288 267 HD2 TYR 35 HD2 TYR 35 17.298 -8.822 22.562 268 HE1 TYR 35 HE1 TYR 35 21.519 -11.250 21.903 269 HE2 TYR 35 HE2 TYR 35 17.982 -10.541 24.177 270 HH TYR 35 HH TYR 35 19.396 -12.450 24.332 271 H THR 36 H THR 36 15.468 -8.329 18.613 272 HA THR 36 HA THR 36 14.794 -10.522 20.313 273 HB THR 36 HB THR 36 12.427 -10.032 19.527 274 HG1 THR 36 HG1 THR 36 13.667 -8.656 17.655 275 HG21 THR 36 3HG2 THR 36 14.073 -7.841 20.795 276 HG22 THR 36 1HG2 THR 36 13.273 -9.170 21.629 277 HG23 THR 36 2HG2 THR 36 12.314 -7.927 20.827 278 H ARG 37 H ARG 37 15.041 -10.058 16.845 279 HA ARG 37 HA ARG 37 14.887 -11.472 15.079 280 HB2 ARG 37 1HB ARG 37 15.584 -13.470 17.228 281 HB3 ARG 37 2HB ARG 37 15.458 -13.904 15.533 282 HG2 ARG 37 1HG ARG 37 17.257 -12.382 14.981 283 HG3 ARG 37 2HG ARG 37 17.348 -11.845 16.659 284 HD2 ARG 37 1HD ARG 37 19.093 -13.485 16.134 285 HD3 ARG 37 2HD ARG 37 17.979 -14.084 17.365 286 HE ARG 37 HE ARG 37 16.997 -15.513 15.729 287 HH11 ARG 37 1HH2 ARG 37 19.953 -13.942 14.657 288 HH12 ARG 37 2HH2 ARG 37 20.270 -15.109 13.421 289 HH21 ARG 37 1HH1 ARG 37 17.421 -17.053 14.066 290 HH22 ARG 37 2HH1 ARG 37 18.838 -16.885 13.092 291 H LYS 38 H LYS 38 12.511 -10.748 15.448 292 HA LYS 38 HA LYS 38 10.867 -13.176 15.575 293 HB2 LYS 38 1HB LYS 38 10.585 -11.709 17.582 294 HB3 LYS 38 2HB LYS 38 10.023 -10.431 16.519 295 HG2 LYS 38 1HG LYS 38 8.039 -11.293 17.270 296 HG3 LYS 38 2HG LYS 38 8.252 -12.211 15.783 297 HD2 LYS 38 1HD LYS 38 9.027 -13.193 18.538 298 HD3 LYS 38 2HD LYS 38 7.515 -13.592 17.730 299 HE2 LYS 38 1HE LYS 38 8.902 -14.569 15.864 300 HE3 LYS 38 2HE LYS 38 10.314 -14.331 16.892 301 HZ1 LYS 38 3HZ LYS 38 9.263 -15.753 18.568 302 HZ2 LYS 38 1HZ LYS 38 9.522 -16.564 17.107 303 HZ3 LYS 38 2HZ LYS 38 7.972 -16.041 17.508 304 H ASP 39 H ASP 39 9.348 -13.442 14.006 305 HA ASP 39 HA ASP 39 9.638 -12.024 11.578 306 HB2 ASP 39 1HB ASP 39 7.488 -13.960 12.472 307 HB3 ASP 39 2HB ASP 39 7.685 -13.380 10.824 308 H CYS 40 H CYS 40 8.389 -10.464 10.632 309 HA CYS 40 HA CYS 40 5.853 -9.654 11.634 310 HB2 CYS 40 1HB CYS 40 6.567 -7.327 12.274 311 HB3 CYS 40 2HB CYS 40 7.090 -8.580 13.388 312 HG CYS 40 HG CYS 40 9.720 -8.591 12.598 313 H ILE 41 H ILE 41 4.960 -7.831 10.397 314 HA ILE 41 HA ILE 41 6.274 -7.503 7.764 315 HB ILE 41 HB ILE 41 3.291 -7.705 8.313 316 HG12 ILE 41 1HG1 ILE 41 4.471 -9.900 8.379 317 HG13 ILE 41 2HG1 ILE 41 3.332 -9.780 7.043 318 HG21 ILE 41 1HG2 ILE 41 3.023 -7.582 5.868 319 HG22 ILE 41 2HG2 ILE 41 4.755 -7.294 5.705 320 HG23 ILE 41 3HG2 ILE 41 3.739 -6.115 6.541 321 HD11 ILE 41 3HD1 ILE 41 5.388 -10.875 6.366 322 HD12 ILE 41 1HD1 ILE 41 6.324 -9.461 6.847 323 HD13 ILE 41 2HD1 ILE 41 5.179 -9.351 5.506 324 H ARG 42 H ARG 42 7.085 -5.421 7.864 325 HA ARG 42 HA ARG 42 5.367 -3.349 9.036 326 HB2 ARG 42 1HB ARG 42 8.302 -3.285 8.328 327 HB3 ARG 42 2HB ARG 42 7.416 -2.071 9.250 328 HG2 ARG 42 1HG ARG 42 7.048 -3.663 11.046 329 HG3 ARG 42 2HG ARG 42 7.863 -4.922 10.120 330 HD2 ARG 42 1HD ARG 42 9.910 -3.464 10.133 331 HD3 ARG 42 2HD ARG 42 9.060 -2.402 11.258 332 HE ARG 42 HE ARG 42 8.984 -5.043 12.220 333 HH11 ARG 42 1HH2 ARG 42 11.230 -2.392 11.803 334 HH12 ARG 42 2HH2 ARG 42 12.293 -2.918 13.064 335 HH21 ARG 42 1HH1 ARG 42 10.391 -5.752 13.889 336 HH22 ARG 42 2HH1 ARG 42 11.816 -4.845 14.251 337 H LEU 43 H LEU 43 4.369 -1.916 7.685 338 HA LEU 43 HA LEU 43 5.411 -1.633 4.933 339 HB2 LEU 43 1HB LEU 43 3.128 -2.671 5.234 340 HB3 LEU 43 2HB LEU 43 2.586 -1.158 5.934 341 HG LEU 43 HG LEU 43 3.112 -0.041 3.749 342 HD11 LEU 43 1HD1 LEU 43 3.444 -2.887 2.794 343 HD12 LEU 43 2HD1 LEU 43 4.725 -1.676 2.907 344 HD13 LEU 43 3HD1 LEU 43 3.392 -1.446 1.777 345 HD21 LEU 43 3HD2 LEU 43 0.839 -0.731 4.362 346 HD22 LEU 43 1HD2 LEU 43 1.133 -2.319 3.655 347 HD23 LEU 43 2HD2 LEU 43 1.119 -0.881 2.632 348 H ARG 44 H ARG 44 6.207 0.362 4.405 349 HA ARG 44 HA ARG 44 5.347 2.679 6.034 350 HB2 ARG 44 1HB ARG 44 7.598 1.899 6.665 351 HB3 ARG 44 2HB ARG 44 8.131 2.103 5.003 352 HG2 ARG 44 1HG ARG 44 7.729 4.514 5.181 353 HG3 ARG 44 2HG ARG 44 7.214 4.289 6.854 354 HD2 ARG 44 1HD ARG 44 9.931 3.577 5.758 355 HD3 ARG 44 2HD ARG 44 9.557 5.035 6.681 356 HE ARG 44 HE ARG 44 8.731 3.005 8.300 357 HH11 ARG 44 1HH2 ARG 44 11.771 3.801 6.733 358 HH12 ARG 44 2HH2 ARG 44 12.746 3.011 7.923 359 HH21 ARG 44 1HH1 ARG 44 10.016 1.959 9.878 360 HH22 ARG 44 2HH1 ARG 44 11.743 1.956 9.725 361 H ILE 45 H ILE 45 4.828 4.545 4.977 362 HA ILE 45 HA ILE 45 5.122 4.647 2.027 363 HB ILE 45 HB ILE 45 3.064 6.045 3.771 364 HG12 ILE 45 1HG1 ILE 45 2.760 3.577 3.809 365 HG13 ILE 45 2HG1 ILE 45 1.424 4.420 3.039 366 HG21 ILE 45 1HG2 ILE 45 3.535 7.170 1.656 367 HG22 ILE 45 2HG2 ILE 45 1.905 6.497 1.662 368 HG23 ILE 45 3HG2 ILE 45 3.196 5.676 0.784 369 HD11 ILE 45 3HD1 ILE 45 2.309 3.810 0.856 370 HD12 ILE 45 1HD1 ILE 45 2.017 2.386 1.852 371 HD13 ILE 45 2HD1 ILE 45 3.660 2.987 1.638 372 H GLU 46 H GLU 46 6.069 6.679 1.137 373 HA GLU 46 HA GLU 46 6.373 8.905 2.853 374 HB2 GLU 46 1HB GLU 46 8.828 8.953 2.859 375 HB3 GLU 46 2HB GLU 46 8.218 7.550 3.725 376 HG2 GLU 46 1HG GLU 46 8.706 6.147 1.782 377 HG3 GLU 46 2HG GLU 46 9.311 7.561 0.920 378 H ASP 47 H ASP 47 7.813 10.586 1.684 379 HA ASP 47 HA ASP 47 6.942 10.738 -1.088 380 HB2 ASP 47 1HB ASP 47 6.699 12.690 0.448 381 HB3 ASP 47 2HB ASP 47 8.446 12.743 0.641 382 H ARG 48 H ARG 48 9.289 12.442 -1.961 383 HA ARG 48 HA ARG 48 11.103 10.221 -2.436 384 HB2 ARG 48 1HB ARG 48 11.741 11.248 -4.519 385 HB3 ARG 48 2HB ARG 48 9.985 11.205 -4.496 386 HG2 ARG 48 1HG ARG 48 11.355 13.667 -3.537 387 HG3 ARG 48 2HG ARG 48 11.300 13.344 -5.267 388 HD2 ARG 48 1HD ARG 48 8.822 13.251 -3.576 389 HD3 ARG 48 2HD ARG 48 9.439 14.770 -4.233 390 HE ARG 48 HE ARG 48 9.339 13.231 -6.411 391 HH11 ARG 48 1HH2 ARG 48 6.925 13.726 -3.872 392 HH12 ARG 48 2HH2 ARG 48 5.603 13.636 -4.986 393 HH21 ARG 48 1HH1 ARG 48 7.569 13.122 -7.834 394 HH22 ARG 48 2HH1 ARG 48 5.949 13.267 -7.224 395 H SER 49 H SER 49 10.655 13.541 -1.440 396 HA SER 49 HA SER 49 13.477 14.071 -1.190 397 HB2 SER 49 1HB SER 49 11.864 15.779 -1.992 398 HB3 SER 49 2HB SER 49 11.108 15.775 -0.405 399 HG SER 49 HG SER 49 13.800 16.470 -0.993 400 H GLY 50 H GLY 50 10.712 14.044 1.095 401 HA2 GLY 50 1HA GLY 50 12.228 12.726 3.110 402 HA3 GLY 50 2HA GLY 50 12.249 14.452 3.399 403 H ASN 51 H ASN 51 9.481 14.833 2.429 404 HA ASN 51 HA ASN 51 8.119 14.614 4.830 405 HB2 ASN 51 1HB ASN 51 6.998 14.801 2.028 406 HB3 ASN 51 2HB ASN 51 5.983 14.849 3.464 407 HD21 ASN 51 2HD2 ASN 51 6.224 16.895 1.514 408 HD22 ASN 51 1HD2 ASN 51 6.861 18.292 2.307 409 H LEU 52 H LEU 52 7.703 12.891 5.944 410 HA LEU 52 HA LEU 52 7.243 10.324 4.721 411 HB2 LEU 52 1HB LEU 52 7.055 9.444 6.980 412 HB3 LEU 52 2HB LEU 52 8.467 10.466 6.856 413 HG LEU 52 HG LEU 52 5.881 11.487 8.036 414 HD11 LEU 52 1HD1 LEU 52 6.761 10.933 10.240 415 HD12 LEU 52 2HD1 LEU 52 8.151 10.142 9.495 416 HD13 LEU 52 3HD1 LEU 52 6.530 9.479 9.267 417 HD21 LEU 52 3HD2 LEU 52 7.501 12.969 9.262 418 HD22 LEU 52 1HD2 LEU 52 7.417 13.247 7.522 419 HD23 LEU 52 2HD2 LEU 52 8.767 12.345 8.211 420 H ILE 53 H ILE 53 5.305 9.193 4.633 421 HA ILE 53 HA ILE 53 2.982 10.952 4.833 422 HB ILE 53 HB ILE 53 3.251 8.324 3.369 423 HG12 ILE 53 1HG1 ILE 53 4.587 10.111 2.343 424 HG13 ILE 53 2HG1 ILE 53 3.210 9.714 1.329 425 HG21 ILE 53 1HG2 ILE 53 0.989 10.325 3.348 426 HG22 ILE 53 2HG2 ILE 53 0.959 8.745 4.129 427 HG23 ILE 53 3HG2 ILE 53 1.091 8.857 2.373 428 HD11 ILE 53 3HD1 ILE 53 2.035 11.695 2.141 429 HD12 ILE 53 1HD1 ILE 53 3.587 12.113 1.418 430 HD13 ILE 53 2HD1 ILE 53 3.408 12.089 3.172 431 H ASP 54 H ASP 54 3.669 7.472 5.462 432 HA ASP 54 HA ASP 54 2.518 7.536 8.046 433 HB2 ASP 54 1HB ASP 54 0.494 7.714 6.380 434 HB3 ASP 54 2HB ASP 54 0.771 5.994 6.152 435 H THR 55 H THR 55 2.021 5.142 8.762 436 HA THR 55 HA THR 55 3.542 3.142 7.390 437 HB THR 55 HB THR 55 5.355 4.375 8.598 438 HG1 THR 55 HG1 THR 55 5.068 1.856 8.358 439 HG21 THR 55 3HG2 THR 55 5.496 4.124 11.056 440 HG22 THR 55 1HG2 THR 55 3.867 3.454 11.063 441 HG23 THR 55 2HG2 THR 55 4.132 5.123 10.563 442 H SER 56 H SER 56 3.176 1.005 8.280 443 HA SER 56 HA SER 56 1.478 0.792 10.619 444 HB2 SER 56 1HB SER 56 -0.071 1.118 8.657 445 HB3 SER 56 2HB SER 56 0.567 -0.373 7.970 446 HG SER 56 HG SER 56 -1.358 -0.729 9.150 447 H THR 57 H THR 57 1.679 -1.203 11.650 448 HA THR 57 HA THR 57 3.508 -3.134 10.388 449 HB THR 57 HB THR 57 3.131 -2.598 13.348 450 HG1 THR 57 HG1 THR 57 4.255 -0.961 11.960 451 HG21 THR 57 3HG2 THR 57 5.125 -4.007 13.615 452 HG22 THR 57 1HG2 THR 57 5.149 -4.297 11.875 453 HG23 THR 57 2HG2 THR 57 3.809 -4.903 12.849 454 H PHE 58 H PHE 58 2.742 -5.181 10.127 455 HA PHE 58 HA PHE 58 0.118 -5.753 11.331 456 HB2 PHE 58 1HB PHE 58 1.296 -6.680 8.715 457 HB3 PHE 58 2HB PHE 58 -0.217 -7.277 9.382 458 HD1 PHE 58 HD2 PHE 58 -2.181 -5.828 9.499 459 HD2 PHE 58 HD1 PHE 58 1.447 -4.515 7.711 460 HE1 PHE 58 HE2 PHE 58 -3.391 -3.989 8.419 461 HE2 PHE 58 HE1 PHE 58 0.247 -2.666 6.619 462 HZ PHE 58 HZ PHE 58 -2.178 -2.399 6.971 463 H TYR 59 H TYR 59 -0.039 -7.372 12.699 464 HA TYR 59 HA TYR 59 1.294 -9.865 12.158 465 HB2 TYR 59 1HB TYR 59 2.278 -10.192 14.328 466 HB3 TYR 59 2HB TYR 59 2.841 -8.630 13.766 467 HD1 TYR 59 HD2 TYR 59 1.951 -6.548 14.835 468 HD2 TYR 59 HD1 TYR 59 0.952 -10.425 16.289 469 HE1 TYR 59 HE2 TYR 59 1.217 -5.560 16.969 470 HE2 TYR 59 HE1 TYR 59 0.222 -9.448 18.418 471 HH TYR 59 HH TYR 59 0.546 -7.498 19.734 472 H HIS 60 H HIS 60 -0.126 -11.503 12.486 473 HA HIS 60 HA HIS 60 -2.302 -11.425 14.298 474 HB2 HIS 60 1HB HIS 60 -2.872 -9.561 12.621 475 HB3 HIS 60 2HB HIS 60 -3.027 -10.811 11.407 476 HD1 HIS 60 HD1 HIS 60 -5.374 -11.527 11.031 477 HD2 HIS 60 HD2 HIS 60 -4.810 -10.085 14.880 478 HE1 HIS 60 HE1 HIS 60 -7.640 -11.582 12.107 479 H HIS 61 H HIS 61 -4.150 -12.838 12.669 480 HA HIS 61 HA HIS 61 -3.153 -15.442 12.588 481 HB2 HIS 61 1HB HIS 61 -5.631 -14.639 12.717 482 HB3 HIS 61 2HB HIS 61 -5.539 -14.570 10.966 483 HD1 HIS 61 HD1 HIS 61 -6.349 -16.650 9.858 484 HD2 HIS 61 HD2 HIS 61 -4.772 -17.407 13.627 485 HE1 HIS 61 HE1 HIS 61 -6.672 -19.112 10.238 486 H ASP 62 H ASP 62 -3.304 -16.796 10.527 487 HA ASP 62 HA ASP 62 -1.037 -16.560 9.129 488 HB2 ASP 62 1HB ASP 62 -3.602 -17.773 8.175 489 HB3 ASP 62 2HB ASP 62 -2.012 -18.116 7.489 490 H GLU 63 H GLU 63 -1.154 -16.825 6.554 491 HA GLU 63 HA GLU 63 -0.588 -14.194 5.771 492 HB2 GLU 63 1HB GLU 63 0.095 -15.100 3.660 493 HB3 GLU 63 2HB GLU 63 0.624 -16.172 4.944 494 HG2 GLU 63 1HG GLU 63 -1.760 -16.612 3.147 495 HG3 GLU 63 2HG GLU 63 -0.201 -17.410 2.999 496 H ASP 64 H ASP 64 -3.386 -16.219 4.996 497 HA ASP 64 HA ASP 64 -4.374 -14.734 2.848 498 HB2 ASP 64 1HB ASP 64 -5.294 -16.904 3.408 499 HB3 ASP 64 2HB ASP 64 -5.887 -16.301 4.947 500 H VAL 65 H VAL 65 -5.390 -14.489 6.230 501 HA VAL 65 HA VAL 65 -6.875 -12.126 5.866 502 HB VAL 65 HB VAL 65 -7.132 -13.660 7.835 503 HG11 VAL 65 1HG1 VAL 65 -4.566 -12.403 8.677 504 HG12 VAL 65 2HG1 VAL 65 -4.966 -14.119 8.527 505 HG13 VAL 65 3HG1 VAL 65 -5.689 -13.143 9.808 506 HG21 VAL 65 3HG2 VAL 65 -6.707 -10.745 8.486 507 HG22 VAL 65 1HG2 VAL 65 -7.604 -11.887 9.486 508 HG23 VAL 65 2HG2 VAL 65 -8.193 -11.473 7.875 509 H LEU 66 H LEU 66 -3.482 -12.660 6.616 510 HA LEU 66 HA LEU 66 -2.825 -10.070 7.524 511 HB2 LEU 66 1HB LEU 66 -1.503 -12.340 7.537 512 HB3 LEU 66 2HB LEU 66 -0.918 -11.809 5.980 513 HG LEU 66 HG LEU 66 0.716 -11.341 7.710 514 HD11 LEU 66 1HD1 LEU 66 -0.566 -8.810 6.722 515 HD12 LEU 66 2HD1 LEU 66 0.643 -9.775 5.875 516 HD13 LEU 66 3HD1 LEU 66 1.064 -8.950 7.377 517 HD21 LEU 66 3HD2 LEU 66 0.256 -9.770 9.525 518 HD22 LEU 66 1HD2 LEU 66 -0.769 -11.203 9.620 519 HD23 LEU 66 2HD2 LEU 66 -1.432 -9.682 9.017 520 H PHE 67 H PHE 67 -2.046 -11.484 4.349 521 HA PHE 67 HA PHE 67 -1.548 -9.143 3.027 522 HB2 PHE 67 1HB PHE 67 -2.569 -11.742 1.935 523 HB3 PHE 67 2HB PHE 67 -2.241 -10.371 0.881 524 HD1 PHE 67 HD2 PHE 67 0.156 -9.258 1.262 525 HD2 PHE 67 HD1 PHE 67 -0.890 -13.263 2.297 526 HE1 PHE 67 HE2 PHE 67 2.527 -9.892 1.203 527 HE2 PHE 67 HE1 PHE 67 1.487 -13.895 2.237 528 HZ PHE 67 HZ PHE 67 3.196 -12.209 1.690 529 H ASN 68 H ASN 68 -4.775 -10.534 3.508 530 HA ASN 68 HA ASN 68 -6.188 -8.818 1.802 531 HB2 ASN 68 1HB ASN 68 -7.325 -10.675 2.828 532 HB3 ASN 68 2HB ASN 68 -6.984 -10.063 4.444 533 HD21 ASN 68 2HD2 ASN 68 -8.940 -9.690 1.587 534 HD22 ASN 68 1HD2 ASN 68 -10.141 -8.676 2.311 535 H MET 69 H MET 69 -5.447 -8.468 5.156 536 HA MET 69 HA MET 69 -6.397 -5.856 5.549 537 HB2 MET 69 1HB MET 69 -4.035 -7.122 6.936 538 HB3 MET 69 2HB MET 69 -4.820 -5.635 7.454 539 HG2 MET 69 1HG MET 69 -6.908 -6.893 7.800 540 HG3 MET 69 2HG MET 69 -6.074 -8.372 7.336 541 HE1 MET 69 3HE MET 69 -4.254 -9.575 8.810 542 HE2 MET 69 1HE MET 69 -3.498 -8.833 10.218 543 HE3 MET 69 2HE MET 69 -3.263 -8.127 8.619 544 H CYS 70 H CYS 70 -3.111 -6.832 4.538 545 HA CYS 70 HA CYS 70 -2.026 -4.277 4.362 546 HB2 CYS 70 1HB CYS 70 -1.327 -6.727 2.742 547 HB3 CYS 70 2HB CYS 70 -0.313 -5.299 2.926 548 HG CYS 70 HG CYS 70 -1.196 -7.471 5.415 549 H THR 71 H THR 71 -3.487 -6.219 1.735 550 HA THR 71 HA THR 71 -3.093 -4.228 -0.245 551 HB THR 71 HB THR 71 -3.488 -6.554 -0.895 552 HG1 THR 71 HG1 THR 71 -4.989 -4.435 -1.888 553 HG21 THR 71 3HG2 THR 71 -5.133 -7.260 0.722 554 HG22 THR 71 1HG2 THR 71 -5.824 -7.446 -0.889 555 HG23 THR 71 2HG2 THR 71 -6.295 -6.079 0.122 556 H ASP 72 H ASP 72 -5.647 -4.751 2.083 557 HA ASP 72 HA ASP 72 -7.649 -3.160 0.937 558 HB2 ASP 72 1HB ASP 72 -8.191 -4.657 2.734 559 HB3 ASP 72 2HB ASP 72 -7.070 -3.844 3.819 560 H TRP 73 H TRP 73 -5.248 -2.268 3.490 561 HA TRP 73 HA TRP 73 -6.056 0.365 3.668 562 HB2 TRP 73 1HB TRP 73 -4.703 -0.904 5.330 563 HB3 TRP 73 2HB TRP 73 -3.318 -0.771 4.252 564 HD1 TRP 73 HD1 TRP 73 -5.638 1.434 6.408 565 HE1 TRP 73 HE1 TRP 73 -4.357 3.578 7.047 566 HE3 TRP 73 HE3 TRP 73 -1.434 0.700 3.633 567 HZ2 TRP 73 HZ2 TRP 73 -1.871 4.782 6.456 568 HZ3 TRP 73 HZ3 TRP 73 0.362 2.381 3.727 569 HH2 TRP 73 HH2 TRP 73 0.140 4.378 5.108 570 H LEU 74 H LEU 74 -3.688 -1.143 1.501 571 HA LEU 74 HA LEU 74 -2.502 1.228 0.543 572 HB2 LEU 74 1HB LEU 74 -2.862 -1.499 -0.658 573 HB3 LEU 74 2HB LEU 74 -2.138 -0.208 -1.589 574 HG LEU 74 HG LEU 74 -1.017 -1.205 1.047 575 HD11 LEU 74 1HD1 LEU 74 -0.180 -1.844 -1.780 576 HD12 LEU 74 2HD1 LEU 74 -0.931 -2.966 -0.650 577 HD13 LEU 74 3HD1 LEU 74 0.677 -2.319 -0.314 578 HD21 LEU 74 3HD2 LEU 74 0.101 0.612 -1.092 579 HD22 LEU 74 1HD2 LEU 74 0.984 0.018 0.316 580 HD23 LEU 74 2HD2 LEU 74 -0.400 1.086 0.533 581 H ASN 75 H ASN 75 -5.358 -0.542 -0.574 582 HA ASN 75 HA ASN 75 -5.904 1.156 -2.792 583 HB2 ASN 75 1HB ASN 75 -6.865 -1.117 -2.621 584 HB3 ASN 75 2HB ASN 75 -7.836 -0.600 -1.247 585 HD21 ASN 75 2HD2 ASN 75 -7.437 -0.466 -4.688 586 HD22 ASN 75 1HD2 ASN 75 -8.963 0.263 -5.043 587 H HIS 76 H HIS 76 -6.623 1.294 0.566 588 HA HIS 76 HA HIS 76 -8.768 3.041 0.690 589 HB2 HIS 76 1HB HIS 76 -8.355 2.143 2.751 590 HB3 HIS 76 2HB HIS 76 -6.619 2.141 2.516 591 HD1 HIS 76 HD1 HIS 76 -9.415 4.464 3.602 592 HD2 HIS 76 HD2 HIS 76 -5.268 4.156 3.764 593 HE1 HIS 76 HE1 HIS 76 -8.656 6.343 5.079 594 H MET 77 H MET 77 -5.306 3.865 0.478 595 HA MET 77 HA MET 77 -5.863 6.658 0.853 596 HB2 MET 77 1HB MET 77 -3.489 7.059 0.484 597 HB3 MET 77 2HB MET 77 -3.760 5.781 1.654 598 HG2 MET 77 1HG MET 77 -3.161 4.106 0.057 599 HG3 MET 77 2HG MET 77 -3.085 5.299 -1.237 600 HE1 MET 77 3HE MET 77 -0.151 5.272 2.324 601 HE2 MET 77 1HE MET 77 -1.397 4.045 2.107 602 HE3 MET 77 2HE MET 77 -1.848 5.715 2.453 603 H TYR 78 H TYR 78 -5.821 4.626 -1.914 604 HA TYR 78 HA TYR 78 -4.870 6.307 -3.906 605 HB2 TYR 78 1HB TYR 78 -7.048 4.231 -4.004 606 HB3 TYR 78 2HB TYR 78 -6.505 5.086 -5.438 607 HD1 TYR 78 HD2 TYR 78 -3.534 5.147 -4.724 608 HD2 TYR 78 HD1 TYR 78 -6.433 2.046 -4.614 609 HE1 TYR 78 HE2 TYR 78 -1.760 3.494 -5.039 610 HE2 TYR 78 HE1 TYR 78 -4.672 0.377 -4.927 611 HH TYR 78 HH TYR 78 -2.361 0.285 -5.880 612 H ASP 79 H ASP 79 -8.269 5.951 -2.918 613 HA ASP 79 HA ASP 79 -9.263 7.931 -4.659 614 HB2 ASP 79 1HB ASP 79 -10.695 6.223 -3.689 615 HB3 ASP 79 2HB ASP 79 -10.402 6.860 -2.077 616 H GLN 80 H GLN 80 -8.412 8.030 -1.329 617 HA GLN 80 HA GLN 80 -9.116 10.629 -0.671 618 HB2 GLN 80 1HB GLN 80 -6.793 9.056 0.410 619 HB3 GLN 80 2HB GLN 80 -7.412 10.538 1.133 620 HG2 GLN 80 1HG GLN 80 -8.964 7.985 0.758 621 HG3 GLN 80 2HG GLN 80 -8.259 8.550 2.270 622 HE21 GLN 80 2HE2 GLN 80 -10.805 9.007 -0.058 623 HE22 GLN 80 1HE2 GLN 80 -11.755 10.087 0.892 624 H LEU 81 H LEU 81 -6.028 9.612 -2.135 625 HA LEU 81 HA LEU 81 -5.104 12.368 -2.198 626 HB2 LEU 81 1HB LEU 81 -3.895 9.869 -3.372 627 HB3 LEU 81 2HB LEU 81 -3.125 11.441 -3.360 628 HG LEU 81 HG LEU 81 -3.820 9.817 -0.910 629 HD11 LEU 81 1HD1 LEU 81 -1.173 10.372 -2.234 630 HD12 LEU 81 2HD1 LEU 81 -2.002 8.818 -2.150 631 HD13 LEU 81 3HD1 LEU 81 -1.394 9.572 -0.677 632 HD21 LEU 81 3HD2 LEU 81 -3.940 12.205 -0.456 633 HD22 LEU 81 1HD2 LEU 81 -2.351 12.439 -1.188 634 HD23 LEU 81 2HD2 LEU 81 -2.508 11.503 0.296 635 H LYS 82 H LYS 82 -7.079 10.536 -3.983 636 HA LYS 82 HA LYS 82 -6.466 11.707 -6.588 637 HB2 LYS 82 1HB LYS 82 -8.584 9.772 -5.718 638 HB3 LYS 82 2HB LYS 82 -8.635 10.530 -7.302 639 HG2 LYS 82 1HG LYS 82 -6.508 9.565 -7.884 640 HG3 LYS 82 2HG LYS 82 -6.331 8.894 -6.259 641 HD2 LYS 82 1HD LYS 82 -8.254 7.471 -6.604 642 HD3 LYS 82 2HD LYS 82 -8.548 8.194 -8.185 643 HE2 LYS 82 1HE LYS 82 -6.019 6.712 -7.444 644 HE3 LYS 82 2HE LYS 82 -7.394 5.973 -8.259 645 HZ1 LYS 82 3HZ LYS 82 -7.115 7.531 -10.077 646 HZ2 LYS 82 1HZ LYS 82 -5.690 6.665 -9.835 647 HZ3 LYS 82 2HZ LYS 82 -5.806 8.261 -9.302 648 H ASP 83 H ASP 83 -8.315 12.504 -3.894 649 HA ASP 83 HA ASP 83 -10.124 14.243 -5.370 650 HB2 ASP 83 1HB ASP 83 -10.955 13.064 -3.375 651 HB3 ASP 83 2HB ASP 83 -9.766 13.905 -2.385 652 H TRP 84 H TRP 84 -7.286 14.449 -3.347 653 HA TRP 84 HA TRP 84 -7.315 17.348 -3.365 654 HB2 TRP 84 1HB TRP 84 -5.526 15.308 -2.063 655 HB3 TRP 84 2HB TRP 84 -5.138 17.023 -2.061 656 HD1 TRP 84 HD1 TRP 84 -8.221 14.860 -1.029 657 HE1 TRP 84 HE1 TRP 84 -9.159 15.849 1.158 658 HE3 TRP 84 HE3 TRP 84 -4.989 18.781 -0.451 659 HZ2 TRP 84 HZ2 TRP 84 -8.597 17.993 2.900 660 HZ3 TRP 84 HZ3 TRP 84 -5.256 20.246 1.505 661 HH2 TRP 84 HH2 TRP 84 -7.023 19.860 3.143 662 H LYS 85 H LYS 85 -6.330 18.540 -4.741 663 HA LYS 85 HA LYS 85 -5.432 18.933 -6.904 664 HB2 LYS 85 1HB LYS 85 -3.147 18.630 -4.962 665 HB3 LYS 85 2HB LYS 85 -3.014 19.419 -6.529 666 HG2 LYS 85 1HG LYS 85 -4.671 21.075 -5.837 667 HG3 LYS 85 2HG LYS 85 -4.806 20.283 -4.266 668 HD2 LYS 85 1HD LYS 85 -2.453 20.763 -3.822 669 HD3 LYS 85 2HD LYS 85 -2.302 21.521 -5.407 670 HE2 LYS 85 1HE LYS 85 -2.573 23.211 -3.691 671 HE3 LYS 85 2HE LYS 85 -3.974 23.198 -4.760 672 HZ1 LYS 85 3HZ LYS 85 -4.622 23.365 -2.434 673 HZ2 LYS 85 1HZ LYS 85 -3.834 21.917 -2.085 674 HZ3 LYS 85 2HZ LYS 85 -5.178 21.920 -3.098 Start of MODEL 2 1 HA MET 1 HA MET 1 12.298 -5.501 -1.680 2 HB2 MET 1 1HB MET 1 14.301 -6.733 -3.586 3 HB3 MET 1 2HB MET 1 13.303 -5.339 -3.968 4 HG2 MET 1 1HG MET 1 14.351 -4.068 -2.187 5 HG3 MET 1 2HG MET 1 15.320 -5.470 -1.740 6 HE1 MET 1 3HE MET 1 14.717 -2.604 -4.301 7 HE2 MET 1 1HE MET 1 14.365 -4.007 -5.308 8 HE3 MET 1 2HE MET 1 15.794 -3.027 -5.631 9 H GLY 2 H GLY 2 12.855 -8.689 -3.130 10 HA2 GLY 2 1HA GLY 2 10.013 -8.776 -3.863 11 HA3 GLY 2 2HA GLY 2 11.218 -9.079 -5.109 12 H ARG 3 H ARG 3 10.712 -10.067 -1.746 13 HA ARG 3 HA ARG 3 11.931 -12.592 -2.073 14 HB2 ARG 3 1HB ARG 3 10.059 -11.578 0.067 15 HB3 ARG 3 2HB ARG 3 10.915 -13.114 0.151 16 HG2 ARG 3 1HG ARG 3 13.050 -11.953 0.100 17 HG3 ARG 3 2HG ARG 3 12.218 -10.404 -0.049 18 HD2 ARG 3 1HD ARG 3 12.890 -10.715 2.240 19 HD3 ARG 3 2HD ARG 3 11.134 -10.833 2.136 20 HE ARG 3 HE ARG 3 12.272 -13.405 1.921 21 HH11 ARG 3 1HH2 ARG 3 11.700 -10.873 4.291 22 HH12 ARG 3 2HH2 ARG 3 11.654 -11.947 5.630 23 HH21 ARG 3 1HH1 ARG 3 12.213 -14.842 3.687 24 HH22 ARG 3 2HH1 ARG 3 11.963 -14.232 5.288 25 H LEU 4 H LEU 4 8.608 -11.526 -2.312 26 HA LEU 4 HA LEU 4 7.811 -14.261 -3.044 27 HB2 LEU 4 1HB LEU 4 6.112 -11.921 -2.159 28 HB3 LEU 4 2HB LEU 4 5.486 -13.480 -2.653 29 HG LEU 4 HG LEU 4 7.239 -12.999 -0.240 30 HD11 LEU 4 1HD1 LEU 4 5.204 -13.462 1.041 31 HD12 LEU 4 2HD1 LEU 4 4.282 -13.536 -0.462 32 HD13 LEU 4 3HD1 LEU 4 5.034 -12.022 0.037 33 HD21 LEU 4 3HD2 LEU 4 7.546 -15.227 -1.173 34 HD22 LEU 4 1HD2 LEU 4 5.800 -15.476 -1.199 35 HD23 LEU 4 2HD2 LEU 4 6.645 -15.312 0.340 36 H TYR 5 H TYR 5 6.853 -14.625 -5.010 37 HA TYR 5 HA TYR 5 6.628 -12.297 -6.786 38 HB2 TYR 5 1HB TYR 5 7.392 -13.691 -8.663 39 HB3 TYR 5 2HB TYR 5 8.612 -13.558 -7.406 40 HD1 TYR 5 HD2 TYR 5 9.087 -15.501 -5.938 41 HD2 TYR 5 HD1 TYR 5 6.443 -15.806 -9.257 42 HE1 TYR 5 HE2 TYR 5 9.274 -17.949 -5.857 43 HE2 TYR 5 HE1 TYR 5 6.627 -18.254 -9.185 44 HH TYR 5 HH TYR 5 7.928 -19.915 -6.563 45 H SER 6 H SER 6 5.202 -15.241 -5.642 46 HA SER 6 HA SER 6 2.705 -14.532 -6.839 47 HB2 SER 6 1HB SER 6 3.874 -15.763 -8.688 48 HB3 SER 6 2HB SER 6 3.953 -17.175 -7.637 49 HG SER 6 HG SER 6 2.128 -17.080 -9.138 50 H GLY 7 H GLY 7 1.056 -16.354 -6.302 51 HA2 GLY 7 1HA GLY 7 0.277 -18.015 -4.830 52 HA3 GLY 7 2HA GLY 7 1.752 -17.848 -3.889 53 H ASN 8 H ASN 8 1.353 -14.885 -3.974 54 HA ASN 8 HA ASN 8 -0.938 -14.548 -2.178 55 HB2 ASN 8 1HB ASN 8 1.894 -13.801 -1.386 56 HB3 ASN 8 2HB ASN 8 0.450 -13.361 -0.490 57 HD21 ASN 8 2HD2 ASN 8 -0.602 -14.940 0.729 58 HD22 ASN 8 1HD2 ASN 8 0.145 -16.457 1.113 59 H LEU 9 H LEU 9 1.010 -13.436 -4.653 60 HA LEU 9 HA LEU 9 0.445 -10.621 -4.108 61 HB2 LEU 9 1HB LEU 9 2.351 -11.840 -6.088 62 HB3 LEU 9 2HB LEU 9 2.102 -10.122 -5.852 63 HG LEU 9 HG LEU 9 3.305 -12.070 -3.892 64 HD11 LEU 9 1HD1 LEU 9 5.278 -10.636 -4.138 65 HD12 LEU 9 2HD1 LEU 9 4.426 -9.700 -5.366 66 HD13 LEU 9 3HD1 LEU 9 4.801 -11.398 -5.654 67 HD21 LEU 9 3HD2 LEU 9 3.647 -10.113 -2.430 68 HD22 LEU 9 1HD2 LEU 9 1.939 -10.490 -2.658 69 HD23 LEU 9 2HD2 LEU 9 2.669 -9.140 -3.529 70 H ALA 10 H ALA 10 -1.250 -12.888 -5.535 71 HA ALA 10 HA ALA 10 -1.678 -12.163 -8.183 72 HB1 ALA 10 3HB ALA 10 -3.861 -13.233 -7.979 73 HB2 ALA 10 1HB ALA 10 -3.730 -13.181 -6.220 74 HB3 ALA 10 2HB ALA 10 -2.619 -14.178 -7.156 75 H ALA 11 H ALA 11 -3.393 -10.966 -5.297 76 HA ALA 11 HA ALA 11 -4.796 -8.967 -6.834 77 HB1 ALA 11 3HB ALA 11 -5.779 -8.303 -4.718 78 HB2 ALA 11 1HB ALA 11 -4.626 -9.309 -3.840 79 HB3 ALA 11 2HB ALA 11 -5.831 -10.058 -4.884 80 H PHE 12 H PHE 12 -1.892 -9.191 -5.001 81 HA PHE 12 HA PHE 12 -1.525 -6.516 -4.241 82 HB2 PHE 12 1HB PHE 12 -0.258 -8.536 -3.402 83 HB3 PHE 12 2HB PHE 12 0.654 -8.506 -4.905 84 HD1 PHE 12 HD2 PHE 12 2.048 -6.430 -5.413 85 HD2 PHE 12 HD1 PHE 12 0.350 -7.212 -1.579 86 HE1 PHE 12 HE2 PHE 12 3.631 -4.849 -4.390 87 HE2 PHE 12 HE1 PHE 12 1.931 -5.624 -0.559 88 HZ PHE 12 HZ PHE 12 3.574 -4.445 -1.960 89 H LYS 13 H LYS 13 -0.470 -8.290 -7.177 90 HA LYS 13 HA LYS 13 0.994 -6.231 -8.348 91 HB2 LYS 13 1HB LYS 13 -0.533 -8.503 -9.621 92 HB3 LYS 13 2HB LYS 13 0.586 -7.461 -10.487 93 HG2 LYS 13 1HG LYS 13 1.314 -9.208 -8.144 94 HG3 LYS 13 2HG LYS 13 1.574 -9.618 -9.840 95 HD2 LYS 13 1HD LYS 13 3.023 -7.654 -10.084 96 HD3 LYS 13 2HD LYS 13 2.764 -7.256 -8.384 97 HE2 LYS 13 1HE LYS 13 3.788 -9.369 -7.724 98 HE3 LYS 13 2HE LYS 13 4.017 -9.797 -9.417 99 HZ1 LYS 13 3HZ LYS 13 5.283 -7.511 -8.004 100 HZ2 LYS 13 1HZ LYS 13 5.461 -7.858 -9.650 101 HZ3 LYS 13 2HZ LYS 13 6.049 -8.940 -8.499 102 H ALA 14 H ALA 14 -2.452 -6.924 -8.479 103 HA ALA 14 HA ALA 14 -3.128 -5.135 -10.534 104 HB1 ALA 14 3HB ALA 14 -5.405 -5.256 -9.666 105 HB2 ALA 14 1HB ALA 14 -4.809 -5.969 -8.167 106 HB3 ALA 14 2HB ALA 14 -4.664 -6.856 -9.684 107 H ALA 15 H ALA 15 -2.674 -4.687 -7.086 108 HA ALA 15 HA ALA 15 -3.500 -1.936 -7.088 109 HB1 ALA 15 3HB ALA 15 -2.765 -1.920 -4.775 110 HB2 ALA 15 1HB ALA 15 -1.951 -3.469 -5.000 111 HB3 ALA 15 2HB ALA 15 -3.708 -3.375 -5.099 112 H THR 16 H THR 16 -0.557 -3.659 -7.684 113 HA THR 16 HA THR 16 1.374 -1.788 -7.005 114 HB THR 16 HB THR 16 1.442 -3.858 -9.210 115 HG1 THR 16 HG1 THR 16 1.193 -4.306 -6.736 116 HG21 THR 16 3HG2 THR 16 3.882 -3.698 -9.048 117 HG22 THR 16 1HG2 THR 16 3.725 -2.418 -7.843 118 HG23 THR 16 2HG2 THR 16 3.193 -2.138 -9.499 119 H ASN 17 H ASN 17 -0.425 -2.139 -10.044 120 HA ASN 17 HA ASN 17 1.020 -0.321 -11.618 121 HB2 ASN 17 1HB ASN 17 -0.621 -1.865 -12.562 122 HB3 ASN 17 2HB ASN 17 -1.921 -1.039 -11.715 123 HD21 ASN 17 2HD2 ASN 17 0.289 -0.938 -14.384 124 HD22 ASN 17 1HD2 ASN 17 -0.463 0.383 -15.209 125 H LYS 18 H LYS 18 -1.704 0.163 -9.523 126 HA LYS 18 HA LYS 18 -2.287 2.837 -9.890 127 HB2 LYS 18 1HB LYS 18 -2.459 1.139 -7.423 128 HB3 LYS 18 2HB LYS 18 -2.887 2.841 -7.363 129 HG2 LYS 18 1HG LYS 18 -4.883 1.572 -7.650 130 HG3 LYS 18 2HG LYS 18 -4.558 2.423 -9.157 131 HD2 LYS 18 1HD LYS 18 -3.665 0.401 -10.144 132 HD3 LYS 18 2HD LYS 18 -3.855 -0.460 -8.616 133 HE2 LYS 18 1HE LYS 18 -6.268 -0.182 -8.737 134 HE3 LYS 18 2HE LYS 18 -6.102 0.742 -10.231 135 HZ1 LYS 18 3HZ LYS 18 -5.382 -1.148 -11.381 136 HZ2 LYS 18 1HZ LYS 18 -6.714 -1.660 -10.477 137 HZ3 LYS 18 2HZ LYS 18 -5.145 -2.048 -9.971 138 H LEU 19 H LEU 19 0.378 1.525 -7.950 139 HA LEU 19 HA LEU 19 1.099 3.905 -6.610 140 HB2 LEU 19 1HB LEU 19 2.688 1.475 -7.427 141 HB3 LEU 19 2HB LEU 19 3.463 2.832 -6.648 142 HG LEU 19 HG LEU 19 1.801 2.469 -4.734 143 HD11 LEU 19 1HD1 LEU 19 0.879 0.244 -4.507 144 HD12 LEU 19 2HD1 LEU 19 1.521 -0.192 -6.087 145 HD13 LEU 19 3HD1 LEU 19 0.251 1.023 -5.961 146 HD21 LEU 19 3HD2 LEU 19 3.175 0.680 -3.773 147 HD22 LEU 19 1HD2 LEU 19 4.145 1.930 -4.548 148 HD23 LEU 19 2HD2 LEU 19 3.883 0.389 -5.363 149 H PHE 20 H PHE 20 2.121 2.556 -9.696 150 HA PHE 20 HA PHE 20 4.012 4.522 -10.352 151 HB2 PHE 20 1HB PHE 20 3.893 2.365 -11.523 152 HB3 PHE 20 2HB PHE 20 2.332 2.811 -12.200 153 HD1 PHE 20 HD1 PHE 20 5.909 3.791 -12.131 154 HD2 PHE 20 HD2 PHE 20 2.205 3.988 -14.216 155 HE1 PHE 20 HE1 PHE 20 7.050 4.819 -14.055 156 HE2 PHE 20 HE2 PHE 20 3.338 5.016 -16.138 157 HZ PHE 20 HZ PHE 20 5.762 5.432 -16.059 158 H GLN 21 H GLN 21 0.560 4.260 -10.934 159 HA GLN 21 HA GLN 21 0.235 6.379 -12.701 160 HB2 GLN 21 1HB GLN 21 -1.664 5.258 -10.653 161 HB3 GLN 21 2HB GLN 21 -2.125 6.438 -11.868 162 HG2 GLN 21 1HG GLN 21 -1.563 4.874 -13.632 163 HG3 GLN 21 2HG GLN 21 -1.027 3.695 -12.436 164 HE21 GLN 21 2HE2 GLN 21 -3.144 3.565 -14.467 165 HE22 GLN 21 1HE2 GLN 21 -4.588 3.177 -13.612 166 H LEU 22 H LEU 22 -0.133 6.496 -9.026 167 HA LEU 22 HA LEU 22 -0.399 9.312 -9.177 168 HB2 LEU 22 1HB LEU 22 -0.502 7.205 -7.083 169 HB3 LEU 22 2HB LEU 22 -0.222 8.849 -6.575 170 HG LEU 22 HG LEU 22 -2.581 8.213 -6.391 171 HD11 LEU 22 1HD1 LEU 22 -2.046 10.537 -6.766 172 HD12 LEU 22 2HD1 LEU 22 -3.558 10.115 -7.571 173 HD13 LEU 22 3HD1 LEU 22 -2.076 10.289 -8.511 174 HD21 LEU 22 3HD2 LEU 22 -2.490 7.895 -9.391 175 HD22 LEU 22 1HD2 LEU 22 -3.941 7.830 -8.389 176 HD23 LEU 22 2HD2 LEU 22 -2.692 6.595 -8.218 177 H ASP 23 H ASP 23 2.305 7.569 -9.595 178 HA ASP 23 HA ASP 23 4.524 7.926 -9.317 179 HB2 ASP 23 1HB ASP 23 3.828 10.178 -10.223 180 HB3 ASP 23 2HB ASP 23 3.755 10.762 -8.568 181 H LEU 24 H LEU 24 3.811 6.539 -7.341 182 HA LEU 24 HA LEU 24 5.228 7.654 -5.059 183 HB2 LEU 24 1HB LEU 24 3.533 6.959 -3.413 184 HB3 LEU 24 2HB LEU 24 2.937 8.193 -4.502 185 HG LEU 24 HG LEU 24 1.881 6.172 -5.785 186 HD11 LEU 24 1HD1 LEU 24 2.944 4.399 -4.540 187 HD12 LEU 24 2HD1 LEU 24 1.201 4.364 -4.267 188 HD13 LEU 24 3HD1 LEU 24 2.276 5.020 -3.031 189 HD21 LEU 24 3HD2 LEU 24 -0.131 6.390 -4.422 190 HD22 LEU 24 1HD2 LEU 24 0.633 7.956 -4.692 191 HD23 LEU 24 2HD2 LEU 24 0.815 7.144 -3.137 192 H ALA 25 H ALA 25 5.312 5.719 -3.226 193 HA ALA 25 HA ALA 25 5.653 3.156 -4.467 194 HB1 ALA 25 3HB ALA 25 8.046 2.981 -4.028 195 HB2 ALA 25 1HB ALA 25 8.077 4.654 -3.471 196 HB3 ALA 25 2HB ALA 25 7.714 4.295 -5.158 197 H VAL 26 H VAL 26 6.353 1.510 -2.865 198 HA VAL 26 HA VAL 26 5.966 2.316 -0.070 199 HB VAL 26 HB VAL 26 3.817 1.359 -0.891 200 HG11 VAL 26 1HG1 VAL 26 5.409 -1.132 -1.475 201 HG12 VAL 26 2HG1 VAL 26 4.725 -0.046 -2.677 202 HG13 VAL 26 3HG1 VAL 26 3.658 -0.960 -1.609 203 HG21 VAL 26 3HG2 VAL 26 5.282 -0.498 0.988 204 HG22 VAL 26 1HG2 VAL 26 3.531 -0.390 0.803 205 HG23 VAL 26 2HG2 VAL 26 4.436 0.982 1.441 206 H ILE 27 H ILE 27 7.139 0.979 1.447 207 HA ILE 27 HA ILE 27 8.894 -1.021 0.244 208 HB ILE 27 HB ILE 27 10.715 -0.279 1.773 209 HG12 ILE 27 1HG1 ILE 27 9.015 2.184 2.210 210 HG13 ILE 27 2HG1 ILE 27 9.255 0.910 3.400 211 HG21 ILE 27 1HG2 ILE 27 11.405 1.693 0.467 212 HG22 ILE 27 2HG2 ILE 27 9.775 1.799 -0.200 213 HG23 ILE 27 3HG2 ILE 27 10.780 0.394 -0.550 214 HD11 ILE 27 3HD1 ILE 27 11.409 2.670 2.251 215 HD12 ILE 27 1HD1 ILE 27 11.637 1.411 3.464 216 HD13 ILE 27 2HD1 ILE 27 10.674 2.839 3.843 217 H TYR 28 H TYR 28 9.107 -2.850 1.448 218 HA TYR 28 HA TYR 28 7.840 -2.791 4.090 219 HB2 TYR 28 1HB TYR 28 7.230 -5.156 3.836 220 HB3 TYR 28 2HB TYR 28 6.481 -4.148 2.607 221 HD1 TYR 28 HD2 TYR 28 7.144 -4.380 0.252 222 HD2 TYR 28 HD1 TYR 28 8.878 -6.835 3.269 223 HE1 TYR 28 HE2 TYR 28 7.979 -5.916 -1.482 224 HE2 TYR 28 HE1 TYR 28 9.712 -8.379 1.546 225 HH TYR 28 HH TYR 28 9.647 -7.590 -1.806 226 H ASP 29 H ASP 29 8.925 -3.263 5.714 227 HA ASP 29 HA ASP 29 11.574 -4.530 5.417 228 HB2 ASP 29 1HB ASP 29 10.528 -2.636 7.532 229 HB3 ASP 29 2HB ASP 29 12.072 -3.472 7.652 230 H ASP 30 H ASP 30 12.218 -6.152 6.917 231 HA ASP 30 HA ASP 30 10.478 -7.075 8.935 232 HB2 ASP 30 1HB ASP 30 9.620 -9.067 8.056 233 HB3 ASP 30 2HB ASP 30 9.525 -8.028 6.648 234 H TRP 31 H TRP 31 11.936 -7.762 10.556 235 HA TRP 31 HA TRP 31 14.125 -9.419 9.971 236 HB2 TRP 31 1HB TRP 31 14.597 -6.480 10.540 237 HB3 TRP 31 2HB TRP 31 15.759 -7.694 11.045 238 HD1 TRP 31 HD1 TRP 31 16.612 -9.319 8.815 239 HE1 TRP 31 HE1 TRP 31 17.359 -8.461 6.509 240 HE3 TRP 31 HE3 TRP 31 14.417 -4.704 8.918 241 HZ2 TRP 31 HZ2 TRP 31 17.062 -6.135 4.942 242 HZ3 TRP 31 HZ3 TRP 31 14.702 -3.225 6.974 243 HH2 TRP 31 HH2 TRP 31 15.998 -3.923 5.030 244 H TYR 32 H TYR 32 14.592 -10.483 11.872 245 HA TYR 32 HA TYR 32 13.238 -9.470 14.263 246 HB2 TYR 32 1HB TYR 32 12.690 -11.793 13.597 247 HB3 TYR 32 2HB TYR 32 14.387 -12.230 13.743 248 HD1 TYR 32 HD1 TYR 32 11.568 -10.821 15.744 249 HD2 TYR 32 HD2 TYR 32 15.162 -13.097 15.757 250 HE1 TYR 32 HE1 TYR 32 11.209 -11.365 18.115 251 HE2 TYR 32 HE2 TYR 32 14.811 -13.644 18.125 252 HH TYR 32 HH TYR 32 13.635 -12.753 20.054 253 H ASP 33 H ASP 33 14.766 -7.874 14.638 254 HA ASP 33 HA ASP 33 17.449 -8.813 15.417 255 HB2 ASP 33 1HB ASP 33 17.364 -7.241 13.492 256 HB3 ASP 33 2HB ASP 33 16.617 -6.040 14.538 257 H ALA 34 H ALA 34 14.599 -7.062 16.423 258 HA ALA 34 HA ALA 34 15.742 -5.659 18.577 259 HB1 ALA 34 3HB ALA 34 13.504 -5.202 19.274 260 HB2 ALA 34 1HB ALA 34 12.874 -6.517 18.279 261 HB3 ALA 34 2HB ALA 34 13.587 -5.093 17.517 262 H TYR 35 H TYR 35 16.880 -6.835 19.811 263 HA TYR 35 HA TYR 35 16.495 -9.301 20.981 264 HB2 TYR 35 1HB TYR 35 18.564 -8.061 21.346 265 HB3 TYR 35 2HB TYR 35 17.726 -6.933 22.404 266 HD1 TYR 35 HD1 TYR 35 18.717 -10.492 22.064 267 HD2 TYR 35 HD2 TYR 35 17.504 -7.397 24.717 268 HE1 TYR 35 HE1 TYR 35 19.240 -11.938 23.980 269 HE2 TYR 35 HE2 TYR 35 18.026 -8.838 26.643 270 HH TYR 35 HH TYR 35 19.844 -11.661 26.369 271 H THR 36 H THR 36 15.273 -6.240 22.424 272 HA THR 36 HA THR 36 13.820 -7.758 24.413 273 HB THR 36 HB THR 36 13.754 -4.759 24.033 274 HG1 THR 36 HG1 THR 36 15.889 -5.066 24.259 275 HG21 THR 36 3HG2 THR 36 12.160 -5.732 25.657 276 HG22 THR 36 1HG2 THR 36 13.387 -4.748 26.452 277 HG23 THR 36 2HG2 THR 36 13.506 -6.504 26.495 278 H ARG 37 H ARG 37 13.062 -7.107 21.254 279 HA ARG 37 HA ARG 37 10.190 -6.842 21.885 280 HB2 ARG 37 1HB ARG 37 11.646 -5.311 19.730 281 HB3 ARG 37 2HB ARG 37 9.904 -5.372 19.903 282 HG2 ARG 37 1HG ARG 37 10.067 -4.270 22.066 283 HG3 ARG 37 2HG ARG 37 11.826 -4.233 21.920 284 HD2 ARG 37 1HD ARG 37 11.605 -2.891 19.871 285 HD3 ARG 37 2HD ARG 37 9.854 -2.896 20.071 286 HE ARG 37 HE ARG 37 10.935 -1.901 22.418 287 HH11 ARG 37 1HH2 ARG 37 10.802 -0.999 19.029 288 HH12 ARG 37 2HH2 ARG 37 10.929 0.698 19.340 289 HH21 ARG 37 1HH1 ARG 37 11.106 0.340 22.839 290 HH22 ARG 37 2HH1 ARG 37 11.106 1.464 21.529 291 H LYS 38 H LYS 38 8.866 -7.194 19.760 292 HA LYS 38 HA LYS 38 10.100 -9.027 17.889 293 HB2 LYS 38 1HB LYS 38 9.359 -10.555 19.638 294 HB3 LYS 38 2HB LYS 38 7.750 -9.849 19.613 295 HG2 LYS 38 1HG LYS 38 7.413 -10.672 17.335 296 HG3 LYS 38 2HG LYS 38 9.037 -11.364 17.341 297 HD2 LYS 38 1HD LYS 38 8.415 -12.842 19.173 298 HD3 LYS 38 2HD LYS 38 6.811 -12.113 19.238 299 HE2 LYS 38 1HE LYS 38 6.714 -14.226 18.053 300 HE3 LYS 38 2HE LYS 38 6.385 -12.901 16.943 301 HZ1 LYS 38 3HZ LYS 38 8.690 -13.062 16.163 302 HZ2 LYS 38 1HZ LYS 38 7.848 -14.506 15.938 303 HZ3 LYS 38 2HZ LYS 38 8.958 -14.366 17.203 304 H ASP 39 H ASP 39 9.397 -8.581 15.907 305 HA ASP 39 HA ASP 39 6.656 -7.710 15.462 306 HB2 ASP 39 1HB ASP 39 7.282 -5.794 14.122 307 HB3 ASP 39 2HB ASP 39 8.030 -5.627 15.704 308 H CYS 40 H CYS 40 6.637 -7.320 12.766 309 HA CYS 40 HA CYS 40 8.125 -9.522 11.589 310 HB2 CYS 40 1HB CYS 40 6.020 -10.512 12.489 311 HB3 CYS 40 2HB CYS 40 5.114 -9.462 11.409 312 HG CYS 40 HG CYS 40 7.382 -11.179 9.725 313 H ILE 41 H ILE 41 5.192 -7.976 10.292 314 HA ILE 41 HA ILE 41 6.825 -7.127 7.991 315 HB ILE 41 HB ILE 41 3.832 -7.587 8.153 316 HG12 ILE 41 1HG1 ILE 41 5.963 -9.206 6.737 317 HG13 ILE 41 2HG1 ILE 41 5.246 -9.640 8.284 318 HG21 ILE 41 1HG2 ILE 41 5.566 -6.906 5.775 319 HG22 ILE 41 2HG2 ILE 41 4.344 -5.866 6.512 320 HG23 ILE 41 3HG2 ILE 41 3.862 -7.356 5.697 321 HD11 ILE 41 3HD1 ILE 41 4.256 -10.896 6.458 322 HD12 ILE 41 1HD1 ILE 41 3.783 -9.395 5.665 323 HD13 ILE 41 2HD1 ILE 41 3.063 -9.841 7.213 324 H ARG 42 H ARG 42 7.285 -5.046 7.818 325 HA ARG 42 HA ARG 42 5.436 -3.086 9.038 326 HB2 ARG 42 1HB ARG 42 8.404 -2.695 8.640 327 HB3 ARG 42 2HB ARG 42 7.316 -1.741 9.635 328 HG2 ARG 42 1HG ARG 42 7.026 -3.674 11.138 329 HG3 ARG 42 2HG ARG 42 8.172 -4.587 10.153 330 HD2 ARG 42 1HD ARG 42 8.769 -2.024 11.636 331 HD3 ARG 42 2HD ARG 42 9.215 -3.641 12.168 332 HE ARG 42 HE ARG 42 10.335 -2.216 9.848 333 HH11 ARG 42 1HH2 ARG 42 10.526 -4.916 12.133 334 HH12 ARG 42 2HH2 ARG 42 12.183 -5.243 11.766 335 HH21 ARG 42 1HH1 ARG 42 12.524 -2.696 9.381 336 HH22 ARG 42 2HH1 ARG 42 13.321 -3.993 10.204 337 H LEU 43 H LEU 43 4.330 -1.930 7.447 338 HA LEU 43 HA LEU 43 5.635 -1.359 4.902 339 HB2 LEU 43 1HB LEU 43 2.831 -1.214 5.969 340 HB3 LEU 43 2HB LEU 43 3.264 -0.215 4.607 341 HG LEU 43 HG LEU 43 3.709 -2.192 3.247 342 HD11 LEU 43 1HD1 LEU 43 4.557 -3.675 4.999 343 HD12 LEU 43 2HD1 LEU 43 3.246 -4.427 4.090 344 HD13 LEU 43 3HD1 LEU 43 2.940 -3.770 5.698 345 HD21 LEU 43 3HD2 LEU 43 1.442 -1.322 3.337 346 HD22 LEU 43 1HD2 LEU 43 1.082 -2.374 4.705 347 HD23 LEU 43 2HD2 LEU 43 1.448 -3.073 3.127 348 H ARG 44 H ARG 44 6.535 0.579 4.519 349 HA ARG 44 HA ARG 44 5.638 2.867 6.149 350 HB2 ARG 44 1HB ARG 44 7.811 2.225 6.954 351 HB3 ARG 44 2HB ARG 44 8.457 2.167 5.320 352 HG2 ARG 44 1HG ARG 44 8.223 4.562 5.109 353 HG3 ARG 44 2HG ARG 44 7.498 4.660 6.716 354 HD2 ARG 44 1HD ARG 44 9.606 3.694 7.637 355 HD3 ARG 44 2HD ARG 44 10.304 3.800 6.023 356 HE ARG 44 HE ARG 44 9.784 6.286 6.240 357 HH11 ARG 44 1HH2 ARG 44 10.564 4.253 9.005 358 HH12 ARG 44 2HH2 ARG 44 11.229 5.548 9.930 359 HH21 ARG 44 1HH1 ARG 44 10.648 7.997 7.448 360 HH22 ARG 44 2HH1 ARG 44 11.276 7.705 9.049 361 H ILE 45 H ILE 45 4.706 4.446 4.946 362 HA ILE 45 HA ILE 45 5.564 4.816 2.164 363 HB ILE 45 HB ILE 45 3.116 5.856 3.641 364 HG12 ILE 45 1HG1 ILE 45 3.026 3.404 3.273 365 HG13 ILE 45 2HG1 ILE 45 1.797 4.265 2.355 366 HG21 ILE 45 1HG2 ILE 45 3.827 6.018 0.718 367 HG22 ILE 45 2HG2 ILE 45 3.792 7.354 1.869 368 HG23 ILE 45 3HG2 ILE 45 2.295 6.529 1.431 369 HD11 ILE 45 3HD1 ILE 45 3.163 4.071 0.348 370 HD12 ILE 45 1HD1 ILE 45 2.797 2.493 1.041 371 HD13 ILE 45 2HD1 ILE 45 4.394 3.207 1.267 372 H GLU 46 H GLU 46 6.637 6.769 1.661 373 HA GLU 46 HA GLU 46 6.355 8.991 3.434 374 HB2 GLU 46 1HB GLU 46 8.167 7.590 4.482 375 HB3 GLU 46 2HB GLU 46 9.106 7.809 3.013 376 HG2 GLU 46 1HG GLU 46 9.148 10.204 3.362 377 HG3 GLU 46 2HG GLU 46 8.145 10.029 4.799 378 H ASP 47 H ASP 47 6.972 10.913 2.455 379 HA ASP 47 HA ASP 47 7.125 10.754 -0.443 380 HB2 ASP 47 1HB ASP 47 5.480 12.264 0.700 381 HB3 ASP 47 2HB ASP 47 6.830 13.202 1.323 382 H ARG 48 H ARG 48 8.537 12.494 -1.504 383 HA ARG 48 HA ARG 48 11.255 12.043 -0.724 384 HB2 ARG 48 1HB ARG 48 11.782 13.427 -2.753 385 HB3 ARG 48 2HB ARG 48 10.777 12.025 -3.070 386 HG2 ARG 48 1HG ARG 48 9.815 13.707 -4.367 387 HG3 ARG 48 2HG ARG 48 8.794 13.665 -2.932 388 HD2 ARG 48 1HD ARG 48 10.008 15.571 -2.007 389 HD3 ARG 48 2HD ARG 48 11.053 15.600 -3.421 390 HE ARG 48 HE ARG 48 8.155 16.140 -3.503 391 HH11 ARG 48 1HH2 ARG 48 11.432 16.751 -4.622 392 HH12 ARG 48 2HH2 ARG 48 10.959 17.990 -5.728 393 HH21 ARG 48 1HH1 ARG 48 7.532 17.795 -4.964 394 HH22 ARG 48 2HH1 ARG 48 8.732 18.594 -5.921 395 H SER 49 H SER 49 9.283 13.841 0.846 396 HA SER 49 HA SER 49 11.174 16.002 1.286 397 HB2 SER 49 1HB SER 49 8.174 16.318 1.006 398 HB3 SER 49 2HB SER 49 9.267 17.575 1.590 399 HG SER 49 HG SER 49 10.346 16.800 -0.609 400 H GLY 50 H GLY 50 10.845 16.982 3.359 401 HA2 GLY 50 1HA GLY 50 10.638 15.024 5.453 402 HA3 GLY 50 2HA GLY 50 10.898 16.741 5.695 403 H ASN 51 H ASN 51 8.222 14.724 4.454 404 HA ASN 51 HA ASN 51 6.408 16.264 6.191 405 HB2 ASN 51 1HB ASN 51 5.875 14.956 3.523 406 HB3 ASN 51 2HB ASN 51 4.588 15.507 4.585 407 HD21 ASN 51 2HD2 ASN 51 3.839 17.024 3.139 408 HD22 ASN 51 1HD2 ASN 51 4.700 18.472 2.765 409 H LEU 52 H LEU 52 7.692 13.147 5.619 410 HA LEU 52 HA LEU 52 7.125 11.010 6.228 411 HB2 LEU 52 1HB LEU 52 6.670 10.745 8.691 412 HB3 LEU 52 2HB LEU 52 8.108 11.649 8.280 413 HG LEU 52 HG LEU 52 5.616 13.186 8.892 414 HD11 LEU 52 1HD1 LEU 52 5.690 11.513 10.665 415 HD12 LEU 52 2HD1 LEU 52 6.136 13.102 11.286 416 HD13 LEU 52 3HD1 LEU 52 7.384 11.896 10.971 417 HD21 LEU 52 3HD2 LEU 52 7.236 14.754 9.837 418 HD22 LEU 52 1HD2 LEU 52 7.665 14.337 8.177 419 HD23 LEU 52 2HD2 LEU 52 8.543 13.610 9.525 420 H ILE 53 H ILE 53 5.490 10.047 5.174 421 HA ILE 53 HA ILE 53 2.821 11.068 5.403 422 HB ILE 53 HB ILE 53 3.743 8.598 3.929 423 HG12 ILE 53 1HG1 ILE 53 4.911 10.573 3.116 424 HG13 ILE 53 2HG1 ILE 53 3.731 10.046 1.927 425 HG21 ILE 53 1HG2 ILE 53 1.344 8.590 4.332 426 HG22 ILE 53 2HG2 ILE 53 1.673 8.889 2.625 427 HG23 ILE 53 3HG2 ILE 53 1.212 10.224 3.681 428 HD11 ILE 53 3HD1 ILE 53 2.198 11.817 2.707 429 HD12 ILE 53 1HD1 ILE 53 3.724 12.450 2.088 430 HD13 ILE 53 2HD1 ILE 53 3.448 12.367 3.826 431 H ASP 54 H ASP 54 3.971 7.654 5.906 432 HA ASP 54 HA ASP 54 2.528 7.459 8.376 433 HB2 ASP 54 1HB ASP 54 0.654 7.492 6.686 434 HB3 ASP 54 2HB ASP 54 1.268 5.969 6.058 435 H THR 55 H THR 55 2.356 5.229 9.163 436 HA THR 55 HA THR 55 4.242 3.294 8.067 437 HB THR 55 HB THR 55 5.223 2.939 10.392 438 HG1 THR 55 HG1 THR 55 3.717 5.277 10.802 439 HG21 THR 55 3HG2 THR 55 5.810 5.579 9.033 440 HG22 THR 55 1HG2 THR 55 6.542 4.022 8.646 441 HG23 THR 55 2HG2 THR 55 6.858 4.780 10.206 442 H SER 56 H SER 56 3.645 1.163 8.572 443 HA SER 56 HA SER 56 1.571 0.759 10.591 444 HB2 SER 56 1HB SER 56 1.243 -0.097 7.700 445 HB3 SER 56 2HB SER 56 0.165 -0.544 9.018 446 HG SER 56 HG SER 56 0.710 2.178 8.474 447 H THR 57 H THR 57 1.909 -1.082 11.745 448 HA THR 57 HA THR 57 3.844 -3.030 10.683 449 HB THR 57 HB THR 57 3.110 -2.456 13.573 450 HG1 THR 57 HG1 THR 57 4.501 -0.875 13.387 451 HG21 THR 57 3HG2 THR 57 3.894 -4.748 13.215 452 HG22 THR 57 1HG2 THR 57 5.103 -3.811 14.093 453 HG23 THR 57 2HG2 THR 57 5.320 -4.142 12.374 454 H PHE 58 H PHE 58 3.164 -5.122 10.402 455 HA PHE 58 HA PHE 58 0.517 -5.823 11.492 456 HB2 PHE 58 1HB PHE 58 1.520 -6.380 8.699 457 HB3 PHE 58 2HB PHE 58 0.040 -7.041 9.383 458 HD1 PHE 58 HD2 PHE 58 -1.767 -5.406 10.098 459 HD2 PHE 58 HD1 PHE 58 1.541 -4.301 7.659 460 HE1 PHE 58 HE2 PHE 58 -3.002 -3.420 9.327 461 HE2 PHE 58 HE1 PHE 58 0.314 -2.319 6.884 462 HZ PHE 58 HZ PHE 58 -1.958 -1.875 7.717 463 H TYR 59 H TYR 59 0.534 -7.580 12.674 464 HA TYR 59 HA TYR 59 1.652 -10.014 11.721 465 HB2 TYR 59 1HB TYR 59 3.016 -10.567 13.736 466 HB3 TYR 59 2HB TYR 59 3.690 -9.240 12.810 467 HD1 TYR 59 HD1 TYR 59 2.080 -10.201 15.972 468 HD2 TYR 59 HD2 TYR 59 3.823 -7.018 13.754 469 HE1 TYR 59 HE1 TYR 59 2.231 -8.864 18.028 470 HE2 TYR 59 HE2 TYR 59 3.975 -5.671 15.798 471 HH TYR 59 HH TYR 59 2.963 -5.512 17.977 472 H HIS 60 H HIS 60 0.164 -11.526 12.112 473 HA HIS 60 HA HIS 60 -1.293 -11.688 14.562 474 HB2 HIS 60 1HB HIS 60 -2.245 -9.631 13.209 475 HB3 HIS 60 2HB HIS 60 -3.032 -10.863 12.239 476 HD1 HIS 60 HD1 HIS 60 -2.964 -9.519 15.775 477 HD2 HIS 60 HD2 HIS 60 -5.359 -11.879 13.336 478 HE1 HIS 60 HE1 HIS 60 -5.082 -9.885 17.064 479 H HIS 61 H HIS 61 -3.651 -12.524 12.683 480 HA HIS 61 HA HIS 61 -3.213 -15.284 12.691 481 HB2 HIS 61 1HB HIS 61 -5.454 -13.842 12.592 482 HB3 HIS 61 2HB HIS 61 -5.293 -14.170 10.868 483 HD1 HIS 61 HD1 HIS 61 -6.662 -16.176 10.238 484 HD2 HIS 61 HD2 HIS 61 -5.021 -16.538 14.045 485 HE1 HIS 61 HE1 HIS 61 -7.400 -18.411 11.081 486 H ASP 62 H ASP 62 -3.567 -16.667 10.673 487 HA ASP 62 HA ASP 62 -1.317 -16.882 9.201 488 HB2 ASP 62 1HB ASP 62 -3.224 -18.512 9.313 489 HB3 ASP 62 2HB ASP 62 -4.073 -17.531 8.130 490 H GLU 63 H GLU 63 -1.394 -16.780 6.435 491 HA GLU 63 HA GLU 63 -0.782 -14.020 6.262 492 HB2 GLU 63 1HB GLU 63 0.205 -14.777 4.102 493 HB3 GLU 63 2HB GLU 63 0.845 -15.614 5.509 494 HG2 GLU 63 1HG GLU 63 -0.737 -17.494 5.006 495 HG3 GLU 63 2HG GLU 63 -1.148 -16.657 3.512 496 H ASP 64 H ASP 64 -3.275 -16.191 5.315 497 HA ASP 64 HA ASP 64 -4.252 -15.005 2.987 498 HB2 ASP 64 1HB ASP 64 -5.076 -17.151 3.913 499 HB3 ASP 64 2HB ASP 64 -5.812 -16.285 5.252 500 H VAL 65 H VAL 65 -5.097 -14.398 6.350 501 HA VAL 65 HA VAL 65 -6.837 -12.214 5.822 502 HB VAL 65 HB VAL 65 -5.443 -12.994 8.397 503 HG11 VAL 65 1HG1 VAL 65 -7.183 -11.680 9.521 504 HG12 VAL 65 2HG1 VAL 65 -7.788 -11.149 7.950 505 HG13 VAL 65 3HG1 VAL 65 -6.174 -10.679 8.478 506 HG21 VAL 65 3HG2 VAL 65 -7.578 -14.046 8.982 507 HG22 VAL 65 1HG2 VAL 65 -6.875 -14.764 7.533 508 HG23 VAL 65 2HG2 VAL 65 -8.217 -13.630 7.391 509 H LEU 66 H LEU 66 -3.445 -12.469 6.780 510 HA LEU 66 HA LEU 66 -2.949 -9.773 7.414 511 HB2 LEU 66 1HB LEU 66 -1.567 -11.953 7.803 512 HB3 LEU 66 2HB LEU 66 -0.886 -11.621 6.232 513 HG LEU 66 HG LEU 66 0.595 -10.888 8.021 514 HD11 LEU 66 1HD1 LEU 66 -0.580 -8.560 6.527 515 HD12 LEU 66 2HD1 LEU 66 0.684 -9.648 5.950 516 HD13 LEU 66 3HD1 LEU 66 0.991 -8.589 7.327 517 HD21 LEU 66 3HD2 LEU 66 -1.615 -9.009 8.835 518 HD22 LEU 66 1HD2 LEU 66 0.002 -9.094 9.534 519 HD23 LEU 66 2HD2 LEU 66 -1.110 -10.449 9.721 520 H PHE 67 H PHE 67 -2.574 -11.525 4.487 521 HA PHE 67 HA PHE 67 -1.471 -9.276 2.997 522 HB2 PHE 67 1HB PHE 67 -2.285 -12.006 2.064 523 HB3 PHE 67 2HB PHE 67 -1.930 -10.732 0.904 524 HD1 PHE 67 HD2 PHE 67 0.343 -9.725 0.812 525 HD2 PHE 67 HD1 PHE 67 -0.550 -13.095 3.267 526 HE1 PHE 67 HE2 PHE 67 2.742 -10.218 1.011 527 HE2 PHE 67 HE1 PHE 67 1.856 -13.584 3.467 528 HZ PHE 67 HZ PHE 67 3.499 -12.147 2.338 529 H ASN 68 H ASN 68 -4.569 -10.894 2.992 530 HA ASN 68 HA ASN 68 -5.909 -9.307 1.181 531 HB2 ASN 68 1HB ASN 68 -6.859 -11.348 2.209 532 HB3 ASN 68 2HB ASN 68 -7.096 -10.468 3.713 533 HD21 ASN 68 2HD2 ASN 68 -9.312 -10.866 3.648 534 HD22 ASN 68 1HD2 ASN 68 -10.362 -10.035 2.557 535 H MET 69 H MET 69 -5.477 -8.620 4.674 536 HA MET 69 HA MET 69 -6.960 -6.208 4.647 537 HB2 MET 69 1HB MET 69 -4.690 -7.067 6.446 538 HB3 MET 69 2HB MET 69 -5.693 -5.654 6.724 539 HG2 MET 69 1HG MET 69 -7.667 -7.133 6.865 540 HG3 MET 69 2HG MET 69 -6.594 -8.522 6.704 541 HE1 MET 69 3HE MET 69 -4.040 -7.619 8.430 542 HE2 MET 69 1HE MET 69 -4.781 -9.217 8.484 543 HE3 MET 69 2HE MET 69 -4.472 -8.338 9.980 544 H CYS 70 H CYS 70 -3.507 -6.774 4.387 545 HA CYS 70 HA CYS 70 -2.591 -4.175 4.134 546 HB2 CYS 70 1HB CYS 70 -1.469 -6.597 2.727 547 HB3 CYS 70 2HB CYS 70 -0.630 -5.058 2.892 548 HG CYS 70 HG CYS 70 -1.337 -7.361 5.290 549 H THR 71 H THR 71 -3.102 -6.238 1.199 550 HA THR 71 HA THR 71 -2.989 -4.300 -0.654 551 HB THR 71 HB THR 71 -3.266 -6.640 -1.276 552 HG1 THR 71 HG1 THR 71 -5.461 -5.764 -2.621 553 HG21 THR 71 3HG2 THR 71 -5.475 -7.709 -1.293 554 HG22 THR 71 1HG2 THR 71 -6.163 -6.303 -0.479 555 HG23 THR 71 2HG2 THR 71 -4.967 -7.304 0.346 556 H ASP 72 H ASP 72 -5.813 -4.899 1.387 557 HA ASP 72 HA ASP 72 -7.585 -3.175 0.041 558 HB2 ASP 72 1HB ASP 72 -8.421 -4.751 1.656 559 HB3 ASP 72 2HB ASP 72 -7.458 -4.027 2.937 560 H TRP 73 H TRP 73 -5.808 -2.493 3.126 561 HA TRP 73 HA TRP 73 -6.096 0.124 3.299 562 HB2 TRP 73 1HB TRP 73 -4.952 -1.327 4.911 563 HB3 TRP 73 2HB TRP 73 -3.559 -1.417 3.850 564 HD1 TRP 73 HD1 TRP 73 -5.333 0.948 6.281 565 HE1 TRP 73 HE1 TRP 73 -3.697 2.830 6.930 566 HE3 TRP 73 HE3 TRP 73 -1.549 -0.084 3.007 567 HZ2 TRP 73 HZ2 TRP 73 -1.151 3.758 6.153 568 HZ3 TRP 73 HZ3 TRP 73 0.445 1.347 3.022 569 HH2 TRP 73 HH2 TRP 73 0.642 3.228 4.566 570 H LEU 74 H LEU 74 -3.681 -1.402 1.153 571 HA LEU 74 HA LEU 74 -2.305 0.988 0.513 572 HB2 LEU 74 1HB LEU 74 -2.630 -1.608 -0.964 573 HB3 LEU 74 2HB LEU 74 -1.787 -0.265 -1.705 574 HG LEU 74 HG LEU 74 -0.936 -1.571 0.910 575 HD11 LEU 74 1HD1 LEU 74 -0.720 -3.125 -0.950 576 HD12 LEU 74 2HD1 LEU 74 0.864 -2.554 -0.421 577 HD13 LEU 74 3HD1 LEU 74 0.136 -1.905 -1.891 578 HD21 LEU 74 3HD2 LEU 74 -0.247 0.767 0.706 579 HD22 LEU 74 1HD2 LEU 74 0.427 0.437 -0.890 580 HD23 LEU 74 2HD2 LEU 74 1.133 -0.317 0.540 581 H ASN 75 H ASN 75 -4.929 -0.611 -1.322 582 HA ASN 75 HA ASN 75 -5.273 1.430 -3.217 583 HB2 ASN 75 1HB ASN 75 -7.183 -0.697 -2.255 584 HB3 ASN 75 2HB ASN 75 -7.554 0.399 -3.579 585 HD21 ASN 75 2HD2 ASN 75 -5.792 -2.382 -2.572 586 HD22 ASN 75 1HD2 ASN 75 -5.151 -2.790 -4.122 587 H HIS 76 H HIS 76 -6.404 1.133 -0.009 588 HA HIS 76 HA HIS 76 -8.682 2.703 -0.009 589 HB2 HIS 76 1HB HIS 76 -8.611 1.796 2.038 590 HB3 HIS 76 2HB HIS 76 -6.880 1.542 1.935 591 HD1 HIS 76 HD1 HIS 76 -9.408 4.111 3.077 592 HD2 HIS 76 HD2 HIS 76 -5.346 3.249 3.462 593 HE1 HIS 76 HE1 HIS 76 -8.545 5.693 4.830 594 H MET 77 H MET 77 -5.310 3.810 0.265 595 HA MET 77 HA MET 77 -6.131 6.477 0.957 596 HB2 MET 77 1HB MET 77 -3.730 7.083 0.716 597 HB3 MET 77 2HB MET 77 -4.043 5.771 1.839 598 HG2 MET 77 1HG MET 77 -3.246 4.150 0.252 599 HG3 MET 77 2HG MET 77 -3.103 5.389 -0.996 600 HE1 MET 77 3HE MET 77 -1.734 4.090 2.455 601 HE2 MET 77 1HE MET 77 -2.150 5.764 2.821 602 HE3 MET 77 2HE MET 77 -0.460 5.262 2.800 603 H TYR 78 H TYR 78 -5.713 4.877 -2.047 604 HA TYR 78 HA TYR 78 -4.834 7.025 -3.625 605 HB2 TYR 78 1HB TYR 78 -6.342 4.533 -4.300 606 HB3 TYR 78 2HB TYR 78 -5.956 5.733 -5.532 607 HD1 TYR 78 HD1 TYR 78 -4.553 3.339 -3.136 608 HD2 TYR 78 HD2 TYR 78 -3.738 6.033 -6.309 609 HE1 TYR 78 HE1 TYR 78 -2.292 2.416 -3.329 610 HE2 TYR 78 HE2 TYR 78 -1.485 5.122 -6.518 611 HH TYR 78 HH TYR 78 -0.533 2.249 -4.952 612 H ASP 79 H ASP 79 -8.147 6.075 -2.852 613 HA ASP 79 HA ASP 79 -9.368 7.854 -4.653 614 HB2 ASP 79 1HB ASP 79 -10.394 6.602 -2.113 615 HB3 ASP 79 2HB ASP 79 -11.393 7.609 -3.158 616 H GLN 80 H GLN 80 -8.380 8.271 -1.306 617 HA GLN 80 HA GLN 80 -9.514 10.826 -0.950 618 HB2 GLN 80 1HB GLN 80 -8.835 9.487 0.949 619 HB3 GLN 80 2HB GLN 80 -7.164 9.510 0.407 620 HG2 GLN 80 1HG GLN 80 -7.039 11.898 0.804 621 HG3 GLN 80 2HG GLN 80 -8.735 11.925 1.279 622 HE21 GLN 80 2HE2 GLN 80 -8.241 12.727 3.307 623 HE22 GLN 80 1HE2 GLN 80 -7.506 11.758 4.536 624 H LEU 81 H LEU 81 -6.337 9.768 -2.075 625 HA LEU 81 HA LEU 81 -5.112 12.299 -2.178 626 HB2 LEU 81 1HB LEU 81 -4.573 9.803 -3.777 627 HB3 LEU 81 2HB LEU 81 -3.542 11.218 -3.789 628 HG LEU 81 HG LEU 81 -4.125 9.513 -1.370 629 HD11 LEU 81 1HD1 LEU 81 -1.818 8.757 -1.596 630 HD12 LEU 81 2HD1 LEU 81 -1.650 9.696 -3.079 631 HD13 LEU 81 3HD1 LEU 81 -2.773 8.336 -3.017 632 HD21 LEU 81 3HD2 LEU 81 -2.301 10.801 -0.328 633 HD22 LEU 81 1HD2 LEU 81 -3.681 11.814 -0.748 634 HD23 LEU 81 2HD2 LEU 81 -2.234 11.833 -1.756 635 H LYS 82 H LYS 82 -6.915 10.480 -4.634 636 HA LYS 82 HA LYS 82 -6.520 12.162 -6.794 637 HB2 LYS 82 1HB LYS 82 -8.861 10.405 -6.083 638 HB3 LYS 82 2HB LYS 82 -8.656 11.171 -7.654 639 HG2 LYS 82 1HG LYS 82 -6.584 9.948 -8.001 640 HG3 LYS 82 2HG LYS 82 -6.739 9.213 -6.402 641 HD2 LYS 82 1HD LYS 82 -8.822 8.151 -7.088 642 HD3 LYS 82 2HD LYS 82 -8.686 8.891 -8.685 643 HE2 LYS 82 1HE LYS 82 -6.591 7.668 -9.051 644 HE3 LYS 82 2HE LYS 82 -6.745 6.931 -7.457 645 HZ1 LYS 82 3HZ LYS 82 -8.647 6.594 -9.715 646 HZ2 LYS 82 1HZ LYS 82 -8.818 5.908 -8.182 647 HZ3 LYS 82 2HZ LYS 82 -7.539 5.443 -9.177 648 H ASP 83 H ASP 83 -8.990 12.389 -4.258 649 HA ASP 83 HA ASP 83 -10.089 14.760 -5.560 650 HB2 ASP 83 1HB ASP 83 -11.036 13.176 -3.175 651 HB3 ASP 83 2HB ASP 83 -11.761 14.710 -3.645 652 H TRP 84 H TRP 84 -7.450 14.504 -4.108 653 HA TRP 84 HA TRP 84 -7.826 16.718 -2.215 654 HB2 TRP 84 1HB TRP 84 -6.896 14.675 -1.208 655 HB3 TRP 84 2HB TRP 84 -5.588 14.683 -2.384 656 HD1 TRP 84 HD1 TRP 84 -6.904 16.795 0.568 657 HE1 TRP 84 HE1 TRP 84 -4.898 17.991 1.649 658 HE3 TRP 84 HE3 TRP 84 -3.252 15.373 -2.710 659 HZ2 TRP 84 HZ2 TRP 84 -2.125 18.290 1.175 660 HZ3 TRP 84 HZ3 TRP 84 -0.950 16.151 -2.324 661 HH2 TRP 84 HH2 TRP 84 -0.400 17.579 -0.424 662 H LYS 85 H LYS 85 -7.409 18.587 -3.194 663 HA LYS 85 HA LYS 85 -5.324 18.700 -5.261 664 HB2 LYS 85 1HB LYS 85 -7.577 20.600 -4.598 665 HB3 LYS 85 2HB LYS 85 -6.334 20.942 -5.786 666 HG2 LYS 85 1HG LYS 85 -7.055 19.024 -7.110 667 HG3 LYS 85 2HG LYS 85 -8.289 18.651 -5.905 668 HD2 LYS 85 1HD LYS 85 -9.382 20.781 -6.326 669 HD3 LYS 85 2HD LYS 85 -8.114 21.230 -7.464 670 HE2 LYS 85 1HE LYS 85 -10.110 20.465 -8.636 671 HE3 LYS 85 2HE LYS 85 -8.759 19.372 -8.920 672 HZ1 LYS 85 3HZ LYS 85 -10.945 18.295 -8.431 673 HZ2 LYS 85 1HZ LYS 85 -10.826 18.884 -6.858 674 HZ3 LYS 85 2HZ LYS 85 -9.676 17.788 -7.447 Start of MODEL 3 1 HA MET 1 HA MET 1 -9.844 -10.104 -12.779 2 HB2 MET 1 1HB MET 1 -11.687 -10.343 -15.165 3 HB3 MET 1 2HB MET 1 -10.568 -11.594 -14.649 4 HG2 MET 1 1HG MET 1 -12.873 -10.516 -13.044 5 HG3 MET 1 2HG MET 1 -12.825 -12.059 -13.894 6 HE1 MET 1 3HE MET 1 -11.459 -14.145 -13.145 7 HE2 MET 1 1HE MET 1 -10.258 -14.132 -11.853 8 HE3 MET 1 2HE MET 1 -9.967 -13.224 -13.336 9 H GLY 2 H GLY 2 -8.746 -11.269 -14.962 10 HA2 GLY 2 1HA GLY 2 -7.775 -10.093 -17.103 11 HA3 GLY 2 2HA GLY 2 -6.939 -9.172 -15.859 12 H ARG 3 H ARG 3 -4.959 -10.035 -16.782 13 HA ARG 3 HA ARG 3 -4.457 -12.849 -16.643 14 HB2 ARG 3 1HB ARG 3 -3.248 -11.349 -18.218 15 HB3 ARG 3 2HB ARG 3 -2.483 -10.560 -16.845 16 HG2 ARG 3 1HG ARG 3 -1.394 -12.661 -16.238 17 HG3 ARG 3 2HG ARG 3 -2.169 -13.459 -17.605 18 HD2 ARG 3 1HD ARG 3 0.080 -12.918 -18.225 19 HD3 ARG 3 2HD ARG 3 -1.006 -11.855 -19.115 20 HE ARG 3 HE ARG 3 -0.243 -10.520 -16.788 21 HH11 ARG 3 1HH2 ARG 3 1.200 -11.667 -19.775 22 HH12 ARG 3 2HH2 ARG 3 2.491 -10.519 -19.754 23 HH21 ARG 3 1HH1 ARG 3 1.478 -8.978 -16.748 24 HH22 ARG 3 2HH1 ARG 3 2.642 -8.983 -18.033 25 H LEU 4 H LEU 4 -4.392 -13.845 -14.737 26 HA LEU 4 HA LEU 4 -3.485 -12.375 -12.385 27 HB2 LEU 4 1HB LEU 4 -4.739 -15.112 -12.584 28 HB3 LEU 4 2HB LEU 4 -4.387 -14.251 -11.100 29 HG LEU 4 HG LEU 4 -6.394 -13.403 -13.190 30 HD11 LEU 4 1HD1 LEU 4 -6.781 -14.518 -10.416 31 HD12 LEU 4 2HD1 LEU 4 -7.115 -15.356 -11.932 32 HD13 LEU 4 3HD1 LEU 4 -8.060 -13.937 -11.483 33 HD21 LEU 4 3HD2 LEU 4 -7.048 -11.690 -11.563 34 HD22 LEU 4 1HD2 LEU 4 -5.379 -11.477 -12.089 35 HD23 LEU 4 2HD2 LEU 4 -5.724 -12.188 -10.513 36 H TYR 5 H TYR 5 -1.469 -12.503 -11.813 37 HA TYR 5 HA TYR 5 0.369 -14.310 -12.946 38 HB2 TYR 5 1HB TYR 5 0.672 -12.540 -10.510 39 HB3 TYR 5 2HB TYR 5 1.990 -13.328 -11.375 40 HD1 TYR 5 HD2 TYR 5 2.573 -12.602 -13.669 41 HD2 TYR 5 HD1 TYR 5 -0.346 -10.546 -11.359 42 HE1 TYR 5 HE2 TYR 5 2.717 -10.688 -15.204 43 HE2 TYR 5 HE1 TYR 5 -0.218 -8.628 -12.889 44 HH TYR 5 HH TYR 5 1.292 -7.651 -14.494 45 H SER 6 H SER 6 -1.095 -14.132 -9.725 46 HA SER 6 HA SER 6 -0.974 -16.976 -9.380 47 HB2 SER 6 1HB SER 6 0.659 -15.250 -7.484 48 HB3 SER 6 2HB SER 6 0.431 -16.991 -7.377 49 HG SER 6 HG SER 6 1.373 -16.323 -9.812 50 H GLY 7 H GLY 7 -1.960 -17.563 -7.182 51 HA2 GLY 7 1HA GLY 7 -4.274 -15.898 -6.717 52 HA3 GLY 7 2HA GLY 7 -3.878 -17.392 -5.877 53 H ASN 8 H ASN 8 -1.225 -15.860 -5.621 54 HA ASN 8 HA ASN 8 -1.919 -14.504 -3.064 55 HB2 ASN 8 1HB ASN 8 0.687 -15.816 -3.860 56 HB3 ASN 8 2HB ASN 8 0.502 -14.833 -2.414 57 HD21 ASN 8 2HD2 ASN 8 1.264 -17.582 -2.572 58 HD22 ASN 8 1HD2 ASN 8 0.072 -18.489 -1.700 59 H LEU 9 H LEU 9 -0.909 -14.020 -6.111 60 HA LEU 9 HA LEU 9 0.311 -11.421 -5.438 61 HB2 LEU 9 1HB LEU 9 0.995 -13.092 -7.837 62 HB3 LEU 9 2HB LEU 9 1.604 -11.476 -7.523 63 HG LEU 9 HG LEU 9 2.142 -13.951 -5.887 64 HD11 LEU 9 1HD1 LEU 9 3.399 -13.895 -7.938 65 HD12 LEU 9 2HD1 LEU 9 4.471 -13.561 -6.577 66 HD13 LEU 9 3HD1 LEU 9 3.921 -12.244 -7.610 67 HD21 LEU 9 3HD2 LEU 9 3.000 -11.091 -5.402 68 HD22 LEU 9 1HD2 LEU 9 3.654 -12.496 -4.558 69 HD23 LEU 9 2HD2 LEU 9 1.954 -12.069 -4.371 70 H ALA 10 H ALA 10 -2.436 -12.632 -6.592 71 HA ALA 10 HA ALA 10 -2.940 -11.246 -8.979 72 HB1 ALA 10 3HB ALA 10 -4.322 -13.107 -8.202 73 HB2 ALA 10 1HB ALA 10 -5.297 -11.677 -8.541 74 HB3 ALA 10 2HB ALA 10 -4.919 -12.111 -6.874 75 H ALA 11 H ALA 11 -3.844 -10.377 -5.647 76 HA ALA 11 HA ALA 11 -4.789 -7.793 -6.519 77 HB1 ALA 11 3HB ALA 11 -4.515 -8.911 -3.731 78 HB2 ALA 11 1HB ALA 11 -5.962 -8.993 -4.736 79 HB3 ALA 11 2HB ALA 11 -5.362 -7.431 -4.178 80 H PHE 12 H PHE 12 -1.983 -9.151 -4.943 81 HA PHE 12 HA PHE 12 -0.890 -6.847 -3.805 82 HB2 PHE 12 1HB PHE 12 -0.150 -9.160 -3.326 83 HB3 PHE 12 2HB PHE 12 0.535 -9.268 -4.939 84 HD1 PHE 12 HD1 PHE 12 0.921 -7.855 -1.587 85 HD2 PHE 12 HD2 PHE 12 2.607 -8.155 -5.484 86 HE1 PHE 12 HE1 PHE 12 3.055 -6.988 -0.730 87 HE2 PHE 12 HE2 PHE 12 4.742 -7.291 -4.633 88 HZ PHE 12 HZ PHE 12 4.972 -6.706 -2.255 89 H LYS 13 H LYS 13 0.128 -8.396 -6.943 90 HA LYS 13 HA LYS 13 1.642 -6.255 -7.761 91 HB2 LYS 13 1HB LYS 13 0.297 -8.407 -9.393 92 HB3 LYS 13 2HB LYS 13 1.501 -7.291 -10.025 93 HG2 LYS 13 1HG LYS 13 1.953 -9.255 -7.778 94 HG3 LYS 13 2HG LYS 13 2.474 -9.465 -9.453 95 HD2 LYS 13 1HD LYS 13 3.892 -7.479 -9.270 96 HD3 LYS 13 2HD LYS 13 3.342 -7.233 -7.614 97 HE2 LYS 13 1HE LYS 13 4.344 -9.363 -6.956 98 HE3 LYS 13 2HE LYS 13 4.874 -9.635 -8.616 99 HZ1 LYS 13 3HZ LYS 13 6.266 -7.672 -8.459 100 HZ2 LYS 13 1HZ LYS 13 6.662 -8.758 -7.226 101 HZ3 LYS 13 2HZ LYS 13 5.746 -7.385 -6.878 102 H ALA 14 H ALA 14 -1.783 -6.845 -8.229 103 HA ALA 14 HA ALA 14 -2.281 -4.964 -10.241 104 HB1 ALA 14 3HB ALA 14 -4.605 -5.023 -9.497 105 HB2 ALA 14 1HB ALA 14 -4.114 -5.822 -8.004 106 HB3 ALA 14 2HB ALA 14 -3.917 -6.646 -9.551 107 H ALA 15 H ALA 15 -2.130 -4.608 -6.729 108 HA ALA 15 HA ALA 15 -2.953 -1.901 -6.642 109 HB1 ALA 15 3HB ALA 15 -1.226 -3.386 -4.663 110 HB2 ALA 15 1HB ALA 15 -2.991 -3.404 -4.688 111 HB3 ALA 15 2HB ALA 15 -2.128 -1.898 -4.368 112 H THR 16 H THR 16 0.192 -3.455 -7.034 113 HA THR 16 HA THR 16 1.817 -1.203 -6.617 114 HB THR 16 HB THR 16 2.446 -3.522 -8.457 115 HG1 THR 16 HG1 THR 16 1.952 -3.516 -5.798 116 HG21 THR 16 3HG2 THR 16 4.762 -3.058 -7.840 117 HG22 THR 16 1HG2 THR 16 4.240 -1.752 -6.776 118 HG23 THR 16 2HG2 THR 16 4.019 -1.609 -8.518 119 H ASN 17 H ASN 17 0.235 -2.466 -9.481 120 HA ASN 17 HA ASN 17 1.461 -0.942 -11.469 121 HB2 ASN 17 1HB ASN 17 -0.039 -2.868 -11.874 122 HB3 ASN 17 2HB ASN 17 -1.407 -1.901 -11.342 123 HD21 ASN 17 2HD2 ASN 17 -2.520 -1.956 -13.214 124 HD22 ASN 17 1HD2 ASN 17 -1.987 -1.205 -14.675 125 H LYS 18 H LYS 18 -1.158 -0.166 -9.279 126 HA LYS 18 HA LYS 18 -1.998 2.235 -10.524 127 HB2 LYS 18 1HB LYS 18 -2.360 1.268 -7.693 128 HB3 LYS 18 2HB LYS 18 -3.120 2.711 -8.348 129 HG2 LYS 18 1HG LYS 18 -3.524 -0.089 -9.381 130 HG3 LYS 18 2HG LYS 18 -4.638 0.791 -8.330 131 HD2 LYS 18 1HD LYS 18 -4.886 2.514 -10.070 132 HD3 LYS 18 2HD LYS 18 -3.805 1.597 -11.119 133 HE2 LYS 18 1HE LYS 18 -5.378 -0.285 -11.073 134 HE3 LYS 18 2HE LYS 18 -6.456 0.653 -10.043 135 HZ1 LYS 18 3HZ LYS 18 -6.628 2.297 -11.848 136 HZ2 LYS 18 1HZ LYS 18 -7.186 0.770 -12.307 137 HZ3 LYS 18 2HZ LYS 18 -5.676 1.300 -12.833 138 H LEU 19 H LEU 19 0.492 1.531 -8.151 139 HA LEU 19 HA LEU 19 0.907 4.049 -7.035 140 HB2 LEU 19 1HB LEU 19 2.877 1.845 -7.631 141 HB3 LEU 19 2HB LEU 19 3.284 3.277 -6.712 142 HG LEU 19 HG LEU 19 1.132 1.336 -5.881 143 HD11 LEU 19 1HD1 LEU 19 3.997 1.507 -4.942 144 HD12 LEU 19 2HD1 LEU 19 3.330 0.234 -5.962 145 HD13 LEU 19 3HD1 LEU 19 2.749 0.433 -4.309 146 HD21 LEU 19 3HD2 LEU 19 0.922 3.589 -4.954 147 HD22 LEU 19 1HD2 LEU 19 2.597 3.523 -4.404 148 HD23 LEU 19 2HD2 LEU 19 1.399 2.434 -3.707 149 H PHE 20 H PHE 20 2.230 2.690 -10.020 150 HA PHE 20 HA PHE 20 4.046 4.746 -10.621 151 HB2 PHE 20 1HB PHE 20 2.489 2.974 -12.520 152 HB3 PHE 20 2HB PHE 20 3.877 3.956 -12.964 153 HD1 PHE 20 HD2 PHE 20 6.090 3.456 -11.770 154 HD2 PHE 20 HD1 PHE 20 2.762 0.811 -11.778 155 HE1 PHE 20 HE2 PHE 20 7.579 1.587 -11.198 156 HE2 PHE 20 HE1 PHE 20 4.243 -1.067 -11.208 157 HZ PHE 20 HZ PHE 20 6.657 -0.680 -10.917 158 H GLN 21 H GLN 21 0.647 4.336 -11.346 159 HA GLN 21 HA GLN 21 0.405 6.509 -13.115 160 HB2 GLN 21 1HB GLN 21 -1.599 4.879 -11.603 161 HB3 GLN 21 2HB GLN 21 -2.083 6.223 -12.626 162 HG2 GLN 21 1HG GLN 21 -0.454 3.879 -13.574 163 HG3 GLN 21 2HG GLN 21 -2.206 4.001 -13.728 164 HE21 GLN 21 2HE2 GLN 21 0.862 5.199 -14.853 165 HE22 GLN 21 1HE2 GLN 21 0.249 6.053 -16.224 166 H LEU 22 H LEU 22 0.412 6.518 -9.522 167 HA LEU 22 HA LEU 22 -0.673 9.206 -9.722 168 HB2 LEU 22 1HB LEU 22 -2.089 7.641 -8.439 169 HB3 LEU 22 2HB LEU 22 -0.733 7.289 -7.383 170 HG LEU 22 HG LEU 22 -0.757 9.584 -6.546 171 HD11 LEU 22 1HD1 LEU 22 -1.512 10.776 -8.494 172 HD12 LEU 22 2HD1 LEU 22 -2.635 11.085 -7.169 173 HD13 LEU 22 3HD1 LEU 22 -3.070 9.953 -8.448 174 HD21 LEU 22 3HD2 LEU 22 -2.116 7.943 -5.391 175 HD22 LEU 22 1HD2 LEU 22 -3.459 8.249 -6.492 176 HD23 LEU 22 2HD2 LEU 22 -2.925 9.510 -5.382 177 H ASP 23 H ASP 23 2.095 7.521 -9.499 178 HA ASP 23 HA ASP 23 4.273 8.201 -9.192 179 HB2 ASP 23 1HB ASP 23 3.014 10.815 -8.311 180 HB3 ASP 23 2HB ASP 23 4.747 10.554 -8.429 181 H LEU 24 H LEU 24 2.884 6.683 -7.240 182 HA LEU 24 HA LEU 24 4.068 7.682 -4.729 183 HB2 LEU 24 1HB LEU 24 1.719 5.829 -5.074 184 HB3 LEU 24 2HB LEU 24 2.401 6.319 -3.546 185 HG LEU 24 HG LEU 24 1.034 8.150 -5.519 186 HD11 LEU 24 1HD1 LEU 24 -0.703 8.283 -3.792 187 HD12 LEU 24 2HD1 LEU 24 0.148 7.055 -2.856 188 HD13 LEU 24 3HD1 LEU 24 -0.522 6.652 -4.436 189 HD21 LEU 24 3HD2 LEU 24 1.174 9.810 -3.701 190 HD22 LEU 24 1HD2 LEU 24 2.766 9.335 -4.295 191 HD23 LEU 24 2HD2 LEU 24 2.161 8.685 -2.771 192 H ALA 25 H ALA 25 4.737 6.004 -3.195 193 HA ALA 25 HA ALA 25 5.468 3.415 -4.330 194 HB1 ALA 25 3HB ALA 25 7.351 4.896 -4.866 195 HB2 ALA 25 1HB ALA 25 7.818 3.638 -3.720 196 HB3 ALA 25 2HB ALA 25 7.525 5.284 -3.156 197 H VAL 26 H VAL 26 6.433 1.937 -2.621 198 HA VAL 26 HA VAL 26 5.773 2.612 0.109 199 HB VAL 26 HB VAL 26 3.616 1.724 -0.558 200 HG11 VAL 26 1HG1 VAL 26 5.091 -0.652 -1.682 201 HG12 VAL 26 2HG1 VAL 26 4.274 0.605 -2.613 202 HG13 VAL 26 3HG1 VAL 26 3.338 -0.479 -1.583 203 HG21 VAL 26 3HG2 VAL 26 3.418 -0.289 0.859 204 HG22 VAL 26 1HG2 VAL 26 4.389 0.964 1.632 205 HG23 VAL 26 2HG2 VAL 26 5.174 -0.427 0.889 206 H ILE 27 H ILE 27 7.109 1.525 1.548 207 HA ILE 27 HA ILE 27 8.689 -0.693 0.454 208 HB ILE 27 HB ILE 27 10.659 0.070 1.758 209 HG12 ILE 27 1HG1 ILE 27 9.099 2.638 2.129 210 HG13 ILE 27 2HG1 ILE 27 9.408 1.455 3.394 211 HG21 ILE 27 1HG2 ILE 27 9.627 2.004 -0.305 212 HG22 ILE 27 2HG2 ILE 27 10.580 0.547 -0.596 213 HG23 ILE 27 3HG2 ILE 27 11.299 1.919 0.249 214 HD11 ILE 27 3HD1 ILE 27 10.926 3.346 3.550 215 HD12 ILE 27 1HD1 ILE 27 11.502 3.029 1.913 216 HD13 ILE 27 2HD1 ILE 27 11.801 1.856 3.196 217 H TYR 28 H TYR 28 8.789 -2.443 1.679 218 HA TYR 28 HA TYR 28 7.505 -2.295 4.305 219 HB2 TYR 28 1HB TYR 28 7.179 -4.754 4.080 220 HB3 TYR 28 2HB TYR 28 6.401 -3.818 2.813 221 HD1 TYR 28 HD1 TYR 28 9.119 -6.168 3.587 222 HD2 TYR 28 HD2 TYR 28 7.149 -3.986 0.510 223 HE1 TYR 28 HE1 TYR 28 10.242 -7.547 1.893 224 HE2 TYR 28 HE2 TYR 28 8.272 -5.364 -1.192 225 HH TYR 28 HH TYR 28 9.887 -8.241 -0.445 226 H ASP 29 H ASP 29 8.359 -3.058 6.139 227 HA ASP 29 HA ASP 29 11.212 -3.368 6.313 228 HB2 ASP 29 1HB ASP 29 9.025 -3.401 8.385 229 HB3 ASP 29 2HB ASP 29 10.710 -3.703 8.779 230 H ASP 30 H ASP 30 12.024 -5.156 7.892 231 HA ASP 30 HA ASP 30 10.827 -7.697 7.101 232 HB2 ASP 30 1HB ASP 30 13.721 -6.930 6.780 233 HB3 ASP 30 2HB ASP 30 13.209 -8.609 6.885 234 H TRP 31 H TRP 31 11.336 -9.406 8.435 235 HA TRP 31 HA TRP 31 12.501 -8.790 11.041 236 HB2 TRP 31 1HB TRP 31 9.617 -9.662 10.806 237 HB3 TRP 31 2HB TRP 31 10.528 -9.689 12.311 238 HD1 TRP 31 HD1 TRP 31 8.222 -7.553 10.460 239 HE1 TRP 31 HE1 TRP 31 8.285 -5.125 11.320 240 HE3 TRP 31 HE3 TRP 31 12.537 -7.764 13.203 241 HZ2 TRP 31 HZ2 TRP 31 9.944 -3.511 12.930 242 HZ3 TRP 31 HZ3 TRP 31 13.294 -5.730 14.360 243 HH2 TRP 31 HH2 TRP 31 12.023 -3.649 14.223 244 H TYR 32 H TYR 32 14.074 -10.267 10.702 245 HA TYR 32 HA TYR 32 13.275 -13.052 10.332 246 HB2 TYR 32 1HB TYR 32 15.732 -13.480 10.054 247 HB3 TYR 32 2HB TYR 32 15.044 -12.396 8.855 248 HD1 TYR 32 HD1 TYR 32 17.269 -12.627 11.773 249 HD2 TYR 32 HD2 TYR 32 15.723 -10.083 8.738 250 HE1 TYR 32 HE1 TYR 32 19.014 -10.969 12.280 251 HE2 TYR 32 HE2 TYR 32 17.462 -8.418 9.238 252 HH TYR 32 HH TYR 32 20.171 -9.108 11.119 253 H ASP 33 H ASP 33 14.075 -10.900 12.785 254 HA ASP 33 HA ASP 33 15.205 -12.809 14.605 255 HB2 ASP 33 1HB ASP 33 14.262 -9.970 14.875 256 HB3 ASP 33 2HB ASP 33 14.631 -10.930 16.305 257 H ALA 34 H ALA 34 14.232 -13.845 16.278 258 HA ALA 34 HA ALA 34 12.618 -15.024 17.328 259 HB1 ALA 34 3HB ALA 34 10.471 -13.965 17.831 260 HB2 ALA 34 1HB ALA 34 10.804 -12.697 16.651 261 HB3 ALA 34 2HB ALA 34 11.797 -12.834 18.101 262 H TYR 35 H TYR 35 12.833 -16.558 15.735 263 HA TYR 35 HA TYR 35 10.932 -16.510 13.513 264 HB2 TYR 35 1HB TYR 35 12.247 -18.288 12.481 265 HB3 TYR 35 2HB TYR 35 13.287 -16.939 12.910 266 HD1 TYR 35 HD1 TYR 35 12.300 -20.381 13.849 267 HD2 TYR 35 HD2 TYR 35 15.102 -17.235 14.413 268 HE1 TYR 35 HE1 TYR 35 13.795 -21.937 15.027 269 HE2 TYR 35 HE2 TYR 35 16.605 -18.782 15.596 270 HH TYR 35 HH TYR 35 16.435 -20.903 16.854 271 H THR 36 H THR 36 10.855 -17.499 16.614 272 HA THR 36 HA THR 36 10.263 -20.221 16.479 273 HB THR 36 HB THR 36 9.450 -19.753 18.861 274 HG1 THR 36 HG1 THR 36 10.321 -17.686 19.623 275 HG21 THR 36 3HG2 THR 36 11.767 -19.525 19.662 276 HG22 THR 36 1HG2 THR 36 12.275 -19.039 18.044 277 HG23 THR 36 2HG2 THR 36 11.661 -20.668 18.323 278 H ARG 37 H ARG 37 8.500 -18.739 14.678 279 HA ARG 37 HA ARG 37 6.435 -19.431 13.861 280 HB2 ARG 37 1HB ARG 37 5.607 -20.044 16.711 281 HB3 ARG 37 2HB ARG 37 4.679 -20.397 15.263 282 HG2 ARG 37 1HG ARG 37 6.351 -22.001 14.543 283 HG3 ARG 37 2HG ARG 37 7.364 -21.600 15.933 284 HD2 ARG 37 1HD ARG 37 5.442 -22.304 17.391 285 HD3 ARG 37 2HD ARG 37 4.657 -22.908 15.934 286 HE ARG 37 HE ARG 37 6.525 -24.461 15.688 287 HH11 ARG 37 1HH2 ARG 37 6.084 -22.932 18.825 288 HH12 ARG 37 2HH2 ARG 37 6.934 -24.159 19.692 289 HH21 ARG 37 1HH1 ARG 37 7.652 -26.101 16.846 290 HH22 ARG 37 2HH1 ARG 37 7.830 -25.970 18.561 291 H LYS 38 H LYS 38 7.270 -16.806 14.546 292 HA LYS 38 HA LYS 38 4.685 -15.565 14.436 293 HB2 LYS 38 1HB LYS 38 5.106 -15.743 16.886 294 HB3 LYS 38 2HB LYS 38 6.551 -14.765 16.681 295 HG2 LYS 38 1HG LYS 38 5.221 -12.880 15.960 296 HG3 LYS 38 2HG LYS 38 3.753 -13.860 16.017 297 HD2 LYS 38 1HD LYS 38 5.513 -13.283 18.403 298 HD3 LYS 38 2HD LYS 38 4.066 -12.360 17.995 299 HE2 LYS 38 1HE LYS 38 2.766 -14.486 18.109 300 HE3 LYS 38 2HE LYS 38 4.218 -15.293 18.693 301 HZ1 LYS 38 3HZ LYS 38 2.806 -13.052 20.037 302 HZ2 LYS 38 1HZ LYS 38 4.223 -13.787 20.595 303 HZ3 LYS 38 2HZ LYS 38 2.790 -14.670 20.512 304 H ASP 39 H ASP 39 4.989 -14.483 12.608 305 HA ASP 39 HA ASP 39 7.473 -12.947 12.233 306 HB2 ASP 39 1HB ASP 39 5.537 -14.132 10.248 307 HB3 ASP 39 2HB ASP 39 6.682 -12.880 9.786 308 H CYS 40 H CYS 40 7.241 -10.877 11.059 309 HA CYS 40 HA CYS 40 4.660 -9.572 11.508 310 HB2 CYS 40 1HB CYS 40 7.316 -8.447 12.419 311 HB3 CYS 40 2HB CYS 40 5.761 -7.627 12.521 312 HG CYS 40 HG CYS 40 5.295 -10.434 14.001 313 H ILE 41 H ILE 41 4.480 -7.494 10.386 314 HA ILE 41 HA ILE 41 6.296 -7.042 8.170 315 HB ILE 41 HB ILE 41 3.378 -7.724 7.671 316 HG12 ILE 41 1HG1 ILE 41 5.914 -8.956 6.554 317 HG13 ILE 41 2HG1 ILE 41 4.943 -9.650 7.846 318 HG21 ILE 41 1HG2 ILE 41 4.006 -5.765 6.357 319 HG22 ILE 41 2HG2 ILE 41 3.780 -7.174 5.321 320 HG23 ILE 41 3HG2 ILE 41 5.408 -6.628 5.725 321 HD11 ILE 41 3HD1 ILE 41 4.509 -10.728 5.712 322 HD12 ILE 41 1HD1 ILE 41 4.034 -9.180 5.016 323 HD13 ILE 41 2HD1 ILE 41 3.071 -9.898 6.308 324 H ARG 42 H ARG 42 6.455 -4.902 7.697 325 HA ARG 42 HA ARG 42 4.366 -3.131 8.773 326 HB2 ARG 42 1HB ARG 42 6.271 -2.926 10.237 327 HB3 ARG 42 2HB ARG 42 7.356 -2.725 8.871 328 HG2 ARG 42 1HG ARG 42 6.285 -0.584 8.335 329 HG3 ARG 42 2HG ARG 42 5.211 -0.787 9.720 330 HD2 ARG 42 1HD ARG 42 8.217 -0.675 9.891 331 HD3 ARG 42 2HD ARG 42 7.157 0.707 10.150 332 HE ARG 42 HE ARG 42 6.209 -1.165 11.873 333 HH11 ARG 42 1HH2 ARG 42 9.374 0.243 11.309 334 HH12 ARG 42 2HH2 ARG 42 9.874 0.102 12.957 335 HH21 ARG 42 1HH1 ARG 42 6.873 -1.361 14.055 336 HH22 ARG 42 2HH1 ARG 42 8.443 -0.821 14.528 337 H LEU 43 H LEU 43 3.751 -1.449 7.550 338 HA LEU 43 HA LEU 43 4.863 -1.292 4.831 339 HB2 LEU 43 1HB LEU 43 2.120 -0.823 5.944 340 HB3 LEU 43 2HB LEU 43 2.610 0.058 4.514 341 HG LEU 43 HG LEU 43 2.940 -2.060 3.306 342 HD11 LEU 43 1HD1 LEU 43 2.253 -4.178 4.256 343 HD12 LEU 43 2HD1 LEU 43 1.914 -3.395 5.802 344 HD13 LEU 43 3HD1 LEU 43 3.569 -3.470 5.192 345 HD21 LEU 43 3HD2 LEU 43 0.599 -2.721 3.147 346 HD22 LEU 43 1HD2 LEU 43 0.764 -0.967 3.224 347 HD23 LEU 43 2HD2 LEU 43 0.250 -1.868 4.650 348 H ARG 44 H ARG 44 6.191 0.335 4.562 349 HA ARG 44 HA ARG 44 5.780 2.776 6.145 350 HB2 ARG 44 1HB ARG 44 7.792 1.534 6.726 351 HB3 ARG 44 2HB ARG 44 8.311 1.554 5.053 352 HG2 ARG 44 1HG ARG 44 8.668 3.922 5.140 353 HG3 ARG 44 2HG ARG 44 7.971 4.001 6.762 354 HD2 ARG 44 1HD ARG 44 9.754 2.651 7.648 355 HD3 ARG 44 2HD ARG 44 10.415 2.395 6.035 356 HE ARG 44 HE ARG 44 10.512 5.046 6.224 357 HH11 ARG 44 1HH2 ARG 44 11.455 2.598 8.559 358 HH12 ARG 44 2HH2 ARG 44 12.767 3.539 9.186 359 HH21 ARG 44 1HH1 ARG 44 12.239 6.255 7.021 360 HH22 ARG 44 2HH1 ARG 44 13.219 5.622 8.310 361 H ILE 45 H ILE 45 5.294 4.561 5.085 362 HA ILE 45 HA ILE 45 5.873 4.728 2.194 363 HB ILE 45 HB ILE 45 3.773 6.337 3.670 364 HG12 ILE 45 1HG1 ILE 45 3.207 3.926 3.884 365 HG13 ILE 45 2HG1 ILE 45 2.048 4.805 2.898 366 HG21 ILE 45 1HG2 ILE 45 4.140 5.698 0.740 367 HG22 ILE 45 2HG2 ILE 45 4.522 7.229 1.525 368 HG23 ILE 45 3HG2 ILE 45 2.848 6.684 1.422 369 HD11 ILE 45 3HD1 ILE 45 2.537 2.626 1.964 370 HD12 ILE 45 1HD1 ILE 45 4.252 3.029 1.883 371 HD13 ILE 45 2HD1 ILE 45 3.091 3.906 0.885 372 H GLU 46 H GLU 46 7.195 6.452 1.565 373 HA GLU 46 HA GLU 46 7.644 8.554 3.520 374 HB2 GLU 46 1HB GLU 46 9.803 6.937 2.177 375 HB3 GLU 46 2HB GLU 46 10.095 8.502 2.925 376 HG2 GLU 46 1HG GLU 46 9.338 7.602 5.072 377 HG3 GLU 46 2HG GLU 46 9.075 6.034 4.310 378 H ASP 47 H ASP 47 8.927 10.359 2.515 379 HA ASP 47 HA ASP 47 7.788 10.820 -0.132 380 HB2 ASP 47 1HB ASP 47 6.939 12.410 1.336 381 HB3 ASP 47 2HB ASP 47 8.494 12.677 2.118 382 H ARG 48 H ARG 48 8.904 11.752 -1.686 383 HA ARG 48 HA ARG 48 11.570 10.838 -2.051 384 HB2 ARG 48 1HB ARG 48 11.331 11.717 -4.292 385 HB3 ARG 48 2HB ARG 48 9.889 10.838 -3.808 386 HG2 ARG 48 1HG ARG 48 9.112 13.276 -3.092 387 HG3 ARG 48 2HG ARG 48 10.265 13.721 -4.353 388 HD2 ARG 48 1HD ARG 48 9.103 12.115 -5.867 389 HD3 ARG 48 2HD ARG 48 7.907 11.895 -4.581 390 HE ARG 48 HE ARG 48 8.115 14.620 -5.112 391 HH11 ARG 48 1HH2 ARG 48 6.986 11.705 -6.719 392 HH12 ARG 48 2HH2 ARG 48 5.801 12.530 -7.671 393 HH21 ARG 48 1HH1 ARG 48 6.538 15.714 -6.362 394 HH22 ARG 48 2HH1 ARG 48 5.534 14.827 -7.453 395 H SER 49 H SER 49 10.955 13.353 -0.108 396 HA SER 49 HA SER 49 13.225 14.858 -1.101 397 HB2 SER 49 1HB SER 49 11.061 16.043 -1.644 398 HB3 SER 49 2HB SER 49 10.709 16.082 0.081 399 HG SER 49 HG SER 49 12.450 17.605 -1.412 400 H GLY 50 H GLY 50 12.573 12.723 0.908 401 HA2 GLY 50 1HA GLY 50 13.838 12.275 2.881 402 HA3 GLY 50 2HA GLY 50 13.894 13.999 3.201 403 H ASN 51 H ASN 51 11.032 14.351 2.792 404 HA ASN 51 HA ASN 51 10.076 14.006 5.384 405 HB2 ASN 51 1HB ASN 51 8.695 14.569 2.784 406 HB3 ASN 51 2HB ASN 51 7.758 14.328 4.252 407 HD21 ASN 51 2HD2 ASN 51 10.916 15.824 4.377 408 HD22 ASN 51 1HD2 ASN 51 10.341 17.419 4.701 409 H LEU 52 H LEU 52 7.877 12.898 5.817 410 HA LEU 52 HA LEU 52 7.978 10.125 4.849 411 HB2 LEU 52 1HB LEU 52 9.025 10.418 7.137 412 HB3 LEU 52 2HB LEU 52 7.456 10.922 7.724 413 HG LEU 52 HG LEU 52 7.701 8.241 6.415 414 HD11 LEU 52 1HD1 LEU 52 8.512 8.869 9.251 415 HD12 LEU 52 2HD1 LEU 52 9.577 8.299 7.965 416 HD13 LEU 52 3HD1 LEU 52 8.299 7.251 8.583 417 HD21 LEU 52 3HD2 LEU 52 6.078 9.276 8.739 418 HD22 LEU 52 1HD2 LEU 52 5.952 7.673 8.014 419 HD23 LEU 52 2HD2 LEU 52 5.499 9.101 7.083 420 H ILE 53 H ILE 53 5.916 9.071 4.721 421 HA ILE 53 HA ILE 53 3.746 11.050 4.581 422 HB ILE 53 HB ILE 53 3.930 8.361 3.209 423 HG12 ILE 53 1HG1 ILE 53 5.512 9.989 2.267 424 HG13 ILE 53 2HG1 ILE 53 4.209 9.653 1.134 425 HG21 ILE 53 1HG2 ILE 53 1.617 8.940 3.676 426 HG22 ILE 53 2HG2 ILE 53 1.937 9.105 1.949 427 HG23 ILE 53 3HG2 ILE 53 1.851 10.539 2.970 428 HD11 ILE 53 3HD1 ILE 53 4.510 12.104 2.863 429 HD12 ILE 53 1HD1 ILE 53 3.122 11.761 1.828 430 HD13 ILE 53 2HD1 ILE 53 4.717 11.999 1.115 431 H ASP 54 H ASP 54 4.073 7.538 5.285 432 HA ASP 54 HA ASP 54 2.661 7.799 7.759 433 HB2 ASP 54 1HB ASP 54 0.847 7.925 5.922 434 HB3 ASP 54 2HB ASP 54 1.174 6.214 5.656 435 H THR 55 H THR 55 2.203 5.549 8.688 436 HA THR 55 HA THR 55 3.718 3.406 7.535 437 HB THR 55 HB THR 55 5.498 4.677 8.715 438 HG1 THR 55 HG1 THR 55 5.476 2.315 8.586 439 HG21 THR 55 3HG2 THR 55 4.159 5.659 10.516 440 HG22 THR 55 1HG2 THR 55 5.522 4.750 11.168 441 HG23 THR 55 2HG2 THR 55 3.901 4.058 11.210 442 H SER 56 H SER 56 3.165 1.373 8.420 443 HA SER 56 HA SER 56 1.384 1.278 10.715 444 HB2 SER 56 1HB SER 56 -0.082 1.674 8.711 445 HB3 SER 56 2HB SER 56 0.507 0.153 8.044 446 HG SER 56 HG SER 56 -1.438 0.571 9.822 447 H THR 57 H THR 57 1.435 -0.720 11.755 448 HA THR 57 HA THR 57 3.181 -2.756 10.533 449 HB THR 57 HB THR 57 2.950 -2.117 13.489 450 HG1 THR 57 HG1 THR 57 4.082 -0.491 12.365 451 HG21 THR 57 3HG2 THR 57 3.496 -4.472 13.027 452 HG22 THR 57 1HG2 THR 57 4.881 -3.623 13.715 453 HG23 THR 57 2HG2 THR 57 4.823 -3.961 11.985 454 H PHE 58 H PHE 58 2.386 -4.790 10.402 455 HA PHE 58 HA PHE 58 -0.012 -5.442 11.989 456 HB2 PHE 58 1HB PHE 58 0.509 -6.194 9.098 457 HB3 PHE 58 2HB PHE 58 -0.840 -6.776 10.063 458 HD1 PHE 58 HD2 PHE 58 -2.526 -5.077 10.905 459 HD2 PHE 58 HD1 PHE 58 0.382 -4.179 7.928 460 HE1 PHE 58 HE2 PHE 58 -3.869 -3.146 10.180 461 HE2 PHE 58 HE1 PHE 58 -0.956 -2.249 7.198 462 HZ PHE 58 HZ PHE 58 -3.085 -1.730 8.322 463 H TYR 59 H TYR 59 0.008 -7.413 12.976 464 HA TYR 59 HA TYR 59 1.827 -9.447 12.014 465 HB2 TYR 59 1HB TYR 59 2.829 -9.884 14.212 466 HB3 TYR 59 2HB TYR 59 3.212 -8.265 13.652 467 HD1 TYR 59 HD2 TYR 59 2.245 -6.305 14.794 468 HD2 TYR 59 HD1 TYR 59 1.487 -10.260 16.168 469 HE1 TYR 59 HE2 TYR 59 1.458 -5.406 16.946 470 HE2 TYR 59 HE1 TYR 59 0.705 -9.371 18.316 471 HH TYR 59 HH TYR 59 0.091 -6.037 18.818 472 H HIS 60 H HIS 60 0.921 -11.333 12.009 473 HA HIS 60 HA HIS 60 -0.734 -12.402 14.027 474 HB2 HIS 60 1HB HIS 60 -2.365 -10.786 12.913 475 HB3 HIS 60 2HB HIS 60 -2.180 -11.722 11.439 476 HD1 HIS 60 HD1 HIS 60 -3.923 -11.696 14.706 477 HD2 HIS 60 HD2 HIS 60 -3.360 -14.319 11.537 478 HE1 HIS 60 HE1 HIS 60 -5.627 -13.516 15.025 479 H HIS 61 H HIS 61 -0.646 -14.652 13.775 480 HA HIS 61 HA HIS 61 0.871 -15.483 11.438 481 HB2 HIS 61 1HB HIS 61 1.551 -16.290 13.664 482 HB3 HIS 61 2HB HIS 61 -0.011 -17.072 13.865 483 HD1 HIS 61 HD1 HIS 61 -0.148 -19.458 13.107 484 HD2 HIS 61 HD2 HIS 61 3.148 -17.482 11.510 485 HE1 HIS 61 HE1 HIS 61 1.177 -21.220 11.901 486 H ASP 62 H ASP 62 -0.939 -14.979 10.026 487 HA ASP 62 HA ASP 62 -2.265 -17.471 9.376 488 HB2 ASP 62 1HB ASP 62 -3.967 -16.039 10.616 489 HB3 ASP 62 2HB ASP 62 -3.854 -14.899 9.276 490 H GLU 63 H GLU 63 -1.468 -17.876 7.424 491 HA GLU 63 HA GLU 63 -0.138 -15.994 5.847 492 HB2 GLU 63 1HB GLU 63 -1.386 -18.608 5.046 493 HB3 GLU 63 2HB GLU 63 -0.280 -17.676 4.053 494 HG2 GLU 63 1HG GLU 63 1.490 -17.984 5.673 495 HG3 GLU 63 2HG GLU 63 0.386 -18.839 6.749 496 H ASP 64 H ASP 64 -3.459 -17.208 5.573 497 HA ASP 64 HA ASP 64 -4.022 -15.984 3.064 498 HB2 ASP 64 1HB ASP 64 -5.848 -17.054 5.216 499 HB3 ASP 64 2HB ASP 64 -6.396 -16.525 3.631 500 H VAL 65 H VAL 65 -5.189 -15.257 6.299 501 HA VAL 65 HA VAL 65 -6.528 -12.891 5.662 502 HB VAL 65 HB VAL 65 -5.336 -13.684 8.329 503 HG11 VAL 65 1HG1 VAL 65 -6.900 -12.125 9.338 504 HG12 VAL 65 2HG1 VAL 65 -7.488 -11.651 7.745 505 HG13 VAL 65 3HG1 VAL 65 -5.832 -11.275 8.221 506 HG21 VAL 65 3HG2 VAL 65 -8.097 -14.054 7.176 507 HG22 VAL 65 1HG2 VAL 65 -7.632 -14.417 8.839 508 HG23 VAL 65 2HG2 VAL 65 -6.912 -15.317 7.505 509 H LEU 66 H LEU 66 -3.159 -13.364 6.580 510 HA LEU 66 HA LEU 66 -2.518 -10.769 7.360 511 HB2 LEU 66 1HB LEU 66 -1.151 -13.058 7.319 512 HB3 LEU 66 2HB LEU 66 -0.529 -12.383 5.836 513 HG LEU 66 HG LEU 66 0.966 -11.971 7.758 514 HD11 LEU 66 1HD1 LEU 66 -0.247 -9.484 6.590 515 HD12 LEU 66 2HD1 LEU 66 1.038 -10.455 5.873 516 HD13 LEU 66 3HD1 LEU 66 1.323 -9.588 7.384 517 HD21 LEU 66 3HD2 LEU 66 0.345 -10.393 9.491 518 HD22 LEU 66 1HD2 LEU 66 -0.750 -11.772 9.491 519 HD23 LEU 66 2HD2 LEU 66 -1.268 -10.232 8.803 520 H PHE 67 H PHE 67 -1.839 -12.171 4.078 521 HA PHE 67 HA PHE 67 -1.129 -9.732 2.969 522 HB2 PHE 67 1HB PHE 67 -2.135 -12.236 1.612 523 HB3 PHE 67 2HB PHE 67 -1.560 -10.829 0.724 524 HD1 PHE 67 HD2 PHE 67 0.785 -10.085 0.964 525 HD2 PHE 67 HD1 PHE 67 -0.617 -13.752 2.616 526 HE1 PHE 67 HE2 PHE 67 3.104 -10.870 1.174 527 HE2 PHE 67 HE1 PHE 67 1.701 -14.546 2.827 528 HZ PHE 67 HZ PHE 67 3.567 -13.108 2.104 529 H ASN 68 H ASN 68 -4.363 -11.163 3.164 530 HA ASN 68 HA ASN 68 -5.625 -9.408 1.372 531 HB2 ASN 68 1HB ASN 68 -6.700 -11.452 2.252 532 HB3 ASN 68 2HB ASN 68 -6.795 -10.718 3.847 533 HD21 ASN 68 2HD2 ASN 68 -8.456 -9.331 4.304 534 HD22 ASN 68 1HD2 ASN 68 -9.708 -8.942 3.178 535 H MET 69 H MET 69 -5.342 -9.182 4.865 536 HA MET 69 HA MET 69 -6.417 -6.618 5.237 537 HB2 MET 69 1HB MET 69 -4.118 -7.810 6.797 538 HB3 MET 69 2HB MET 69 -5.041 -6.396 7.283 539 HG2 MET 69 1HG MET 69 -7.064 -7.817 7.373 540 HG3 MET 69 2HG MET 69 -6.048 -9.214 7.016 541 HE1 MET 69 3HE MET 69 -4.165 -10.136 8.594 542 HE2 MET 69 1HE MET 69 -3.737 -9.425 10.151 543 HE3 MET 69 2HE MET 69 -3.374 -8.561 8.658 544 H CYS 70 H CYS 70 -3.122 -7.476 4.403 545 HA CYS 70 HA CYS 70 -2.018 -4.871 4.654 546 HB2 CYS 70 1HB CYS 70 -1.032 -7.251 3.089 547 HB3 CYS 70 2HB CYS 70 -0.100 -5.782 3.363 548 HG CYS 70 HG CYS 70 -1.045 -8.136 5.624 549 H THR 71 H THR 71 -3.241 -6.635 1.803 550 HA THR 71 HA THR 71 -2.512 -4.522 0.026 551 HB THR 71 HB THR 71 -2.671 -6.830 -0.807 552 HG1 THR 71 HG1 THR 71 -3.891 -4.664 -1.938 553 HG21 THR 71 3HG2 THR 71 -4.592 -7.601 0.517 554 HG22 THR 71 1HG2 THR 71 -4.866 -7.872 -1.205 555 HG23 THR 71 2HG2 THR 71 -5.653 -6.522 -0.388 556 H ASP 72 H ASP 72 -5.326 -5.249 1.912 557 HA ASP 72 HA ASP 72 -7.241 -3.799 0.480 558 HB2 ASP 72 1HB ASP 72 -7.921 -5.371 2.154 559 HB3 ASP 72 2HB ASP 72 -7.078 -4.476 3.414 560 H TRP 73 H TRP 73 -5.325 -2.683 3.390 561 HA TRP 73 HA TRP 73 -6.332 -0.170 3.564 562 HB2 TRP 73 1HB TRP 73 -4.956 -1.310 5.251 563 HB3 TRP 73 2HB TRP 73 -3.553 -1.166 4.207 564 HD1 TRP 73 HD1 TRP 73 -5.991 1.107 6.178 565 HE1 TRP 73 HE1 TRP 73 -4.705 3.224 6.890 566 HE3 TRP 73 HE3 TRP 73 -1.552 0.190 3.810 567 HZ2 TRP 73 HZ2 TRP 73 -2.148 4.348 6.496 568 HZ3 TRP 73 HZ3 TRP 73 0.261 1.833 4.034 569 HH2 TRP 73 HH2 TRP 73 -0.030 3.868 5.349 570 H LEU 74 H LEU 74 -4.032 -1.340 1.296 571 HA LEU 74 HA LEU 74 -2.668 1.104 0.718 572 HB2 LEU 74 1HB LEU 74 -3.028 -1.392 -0.933 573 HB3 LEU 74 2HB LEU 74 -2.037 -0.037 -1.439 574 HG LEU 74 HG LEU 74 -1.549 -1.630 1.084 575 HD11 LEU 74 1HD1 LEU 74 -1.265 -3.026 -0.905 576 HD12 LEU 74 2HD1 LEU 74 0.279 -2.680 -0.124 577 HD13 LEU 74 3HD1 LEU 74 -0.178 -1.818 -1.594 578 HD21 LEU 74 3HD2 LEU 74 0.120 0.409 -0.386 579 HD22 LEU 74 1HD2 LEU 74 0.640 -0.521 1.019 580 HD23 LEU 74 2HD2 LEU 74 -0.676 0.641 1.171 581 H ASN 75 H ASN 75 -5.541 -0.370 -0.543 582 HA ASN 75 HA ASN 75 -5.875 1.215 -2.846 583 HB2 ASN 75 1HB ASN 75 -7.825 -0.433 -1.257 584 HB3 ASN 75 2HB ASN 75 -8.294 0.444 -2.709 585 HD21 ASN 75 2HD2 ASN 75 -8.261 -2.433 -2.172 586 HD22 ASN 75 1HD2 ASN 75 -7.258 -3.126 -3.396 587 H HIS 76 H HIS 76 -6.930 1.707 0.476 588 HA HIS 76 HA HIS 76 -8.957 3.582 -0.058 589 HB2 HIS 76 1HB HIS 76 -9.318 3.615 2.178 590 HB3 HIS 76 2HB HIS 76 -8.193 2.269 2.190 591 HD1 HIS 76 HD1 HIS 76 -8.597 5.794 3.298 592 HD2 HIS 76 HD2 HIS 76 -5.607 2.906 3.244 593 HE1 HIS 76 HE1 HIS 76 -6.794 6.662 4.814 594 H MET 77 H MET 77 -5.501 4.087 0.219 595 HA MET 77 HA MET 77 -5.806 6.897 0.702 596 HB2 MET 77 1HB MET 77 -3.391 7.080 0.563 597 HB3 MET 77 2HB MET 77 -3.856 5.743 1.601 598 HG2 MET 77 1HG MET 77 -3.262 4.151 -0.087 599 HG3 MET 77 2HG MET 77 -2.986 5.439 -1.264 600 HE1 MET 77 3HE MET 77 -1.683 3.686 2.018 601 HE2 MET 77 1HE MET 77 -1.999 5.338 2.547 602 HE3 MET 77 2HE MET 77 -0.342 4.743 2.466 603 H TYR 78 H TYR 78 -5.741 4.974 -2.152 604 HA TYR 78 HA TYR 78 -4.539 6.786 -3.925 605 HB2 TYR 78 1HB TYR 78 -6.515 4.579 -4.342 606 HB3 TYR 78 2HB TYR 78 -6.018 5.608 -5.679 607 HD1 TYR 78 HD2 TYR 78 -3.507 5.789 -6.142 608 HD2 TYR 78 HD1 TYR 78 -5.227 2.744 -3.741 609 HE1 TYR 78 HE2 TYR 78 -1.517 4.411 -6.494 610 HE2 TYR 78 HE1 TYR 78 -3.237 1.339 -4.080 611 HH TYR 78 HH TYR 78 -1.405 1.106 -5.729 612 H ASP 79 H ASP 79 -8.060 6.355 -3.396 613 HA ASP 79 HA ASP 79 -8.739 8.369 -5.274 614 HB2 ASP 79 1HB ASP 79 -10.262 6.531 -4.605 615 HB3 ASP 79 2HB ASP 79 -10.470 7.310 -3.040 616 H GLN 80 H GLN 80 -8.705 8.418 -1.784 617 HA GLN 80 HA GLN 80 -9.588 10.932 -1.236 618 HB2 GLN 80 1HB GLN 80 -7.360 9.469 0.157 619 HB3 GLN 80 2HB GLN 80 -8.086 10.948 0.774 620 HG2 GLN 80 1HG GLN 80 -9.546 8.369 0.245 621 HG3 GLN 80 2HG GLN 80 -9.026 8.952 1.825 622 HE21 GLN 80 2HE2 GLN 80 -11.701 8.367 0.732 623 HE22 GLN 80 1HE2 GLN 80 -12.623 9.811 0.961 624 H LEU 81 H LEU 81 -6.284 10.208 -2.340 625 HA LEU 81 HA LEU 81 -5.314 12.830 -1.965 626 HB2 LEU 81 1HB LEU 81 -4.440 10.669 -3.873 627 HB3 LEU 81 2HB LEU 81 -3.588 12.188 -3.670 628 HG LEU 81 HG LEU 81 -4.032 10.172 -1.465 629 HD11 LEU 81 1HD1 LEU 81 -1.568 10.743 -3.098 630 HD12 LEU 81 2HD1 LEU 81 -2.560 9.286 -3.179 631 HD13 LEU 81 3HD1 LEU 81 -1.665 9.662 -1.708 632 HD21 LEU 81 3HD2 LEU 81 -2.309 12.649 -1.579 633 HD22 LEU 81 1HD2 LEU 81 -2.387 11.504 -0.241 634 HD23 LEU 81 2HD2 LEU 81 -3.801 12.472 -0.656 635 H LYS 82 H LYS 82 -6.591 11.283 -4.910 636 HA LYS 82 HA LYS 82 -6.640 13.498 -6.562 637 HB2 LYS 82 1HB LYS 82 -8.662 11.256 -6.428 638 HB3 LYS 82 2HB LYS 82 -8.678 12.488 -7.672 639 HG2 LYS 82 1HG LYS 82 -7.632 10.682 -8.683 640 HG3 LYS 82 2HG LYS 82 -6.285 11.710 -8.197 641 HD2 LYS 82 1HD LYS 82 -5.788 10.321 -6.343 642 HD3 LYS 82 2HD LYS 82 -7.304 9.437 -6.514 643 HE2 LYS 82 1HE LYS 82 -5.037 9.426 -8.503 644 HE3 LYS 82 2HE LYS 82 -5.378 8.151 -7.334 645 HZ1 LYS 82 3HZ LYS 82 -7.617 7.961 -8.417 646 HZ2 LYS 82 1HZ LYS 82 -6.314 7.497 -9.391 647 HZ3 LYS 82 2HZ LYS 82 -7.048 8.992 -9.634 648 H ASP 83 H ASP 83 -8.983 12.604 -4.100 649 HA ASP 83 HA ASP 83 -10.964 14.488 -4.795 650 HB2 ASP 83 1HB ASP 83 -11.355 12.536 -3.318 651 HB3 ASP 83 2HB ASP 83 -10.407 13.324 -2.062 652 H TRP 84 H TRP 84 -8.184 14.721 -2.660 653 HA TRP 84 HA TRP 84 -8.706 17.628 -2.505 654 HB2 TRP 84 1HB TRP 84 -9.290 16.307 -0.386 655 HB3 TRP 84 2HB TRP 84 -7.558 16.085 -0.179 656 HD1 TRP 84 HD1 TRP 84 -10.031 19.066 -0.595 657 HE1 TRP 84 HE1 TRP 84 -9.212 20.989 0.905 658 HE3 TRP 84 HE3 TRP 84 -5.763 16.915 1.217 659 HZ2 TRP 84 HZ2 TRP 84 -7.043 21.523 2.629 660 HZ3 TRP 84 HZ3 TRP 84 -4.375 18.198 2.792 661 HH2 TRP 84 HH2 TRP 84 -5.005 20.451 3.480 662 H LYS 85 H LYS 85 -7.056 16.749 -4.430 663 HA LYS 85 HA LYS 85 -4.968 16.852 -5.327 664 HB2 LYS 85 1HB LYS 85 -4.796 19.122 -3.353 665 HB3 LYS 85 2HB LYS 85 -3.638 18.854 -4.643 666 HG2 LYS 85 1HG LYS 85 -6.583 19.373 -5.030 667 HG3 LYS 85 2HG LYS 85 -5.295 20.566 -5.221 668 HD2 LYS 85 1HD LYS 85 -4.309 19.218 -7.010 669 HD3 LYS 85 2HD LYS 85 -5.588 18.020 -6.820 670 HE2 LYS 85 1HE LYS 85 -7.250 19.718 -7.430 671 HE3 LYS 85 2HE LYS 85 -5.958 20.900 -7.625 672 HZ1 LYS 85 3HZ LYS 85 -6.224 18.393 -9.190 673 HZ2 LYS 85 1HZ LYS 85 -5.038 19.574 -9.401 674 HZ3 LYS 85 2HZ LYS 85 -6.650 19.932 -9.741 Start of MODEL 4 1 HA MET 1 HA MET 1 10.186 -15.029 -2.709 2 HB2 MET 1 1HB MET 1 10.918 -13.066 -1.416 3 HB3 MET 1 2HB MET 1 11.505 -14.119 -0.141 4 HG2 MET 1 1HG MET 1 13.173 -15.047 -1.653 5 HG3 MET 1 2HG MET 1 12.565 -14.031 -2.958 6 HE1 MET 1 3HE MET 1 16.084 -12.486 -2.066 7 HE2 MET 1 1HE MET 1 15.104 -13.233 -3.329 8 HE3 MET 1 2HE MET 1 15.649 -14.193 -1.955 9 H GLY 2 H GLY 2 10.149 -16.547 0.433 10 HA2 GLY 2 1HA GLY 2 12.275 -18.382 -0.080 11 HA3 GLY 2 2HA GLY 2 11.087 -18.510 1.208 12 H ARG 3 H ARG 3 8.843 -19.121 0.399 13 HA ARG 3 HA ARG 3 8.836 -20.823 -1.941 14 HB2 ARG 3 1HB ARG 3 7.957 -22.781 -0.672 15 HB3 ARG 3 2HB ARG 3 9.623 -22.396 -0.276 16 HG2 ARG 3 1HG ARG 3 7.459 -21.275 1.440 17 HG3 ARG 3 2HG ARG 3 7.876 -22.982 1.597 18 HD2 ARG 3 1HD ARG 3 9.881 -20.732 1.778 19 HD3 ARG 3 2HD ARG 3 9.090 -21.451 3.178 20 HE ARG 3 HE ARG 3 10.317 -23.444 1.574 21 HH11 ARG 3 1HH2 ARG 3 11.108 -20.935 3.912 22 HH12 ARG 3 2HH2 ARG 3 12.539 -21.721 4.471 23 HH21 ARG 3 1HH1 ARG 3 12.233 -24.479 2.308 24 HH22 ARG 3 2HH1 ARG 3 13.177 -23.752 3.557 25 H LEU 4 H LEU 4 6.765 -21.222 -2.734 26 HA LEU 4 HA LEU 4 4.542 -19.904 -1.334 27 HB2 LEU 4 1HB LEU 4 5.253 -19.614 -4.251 28 HB3 LEU 4 2HB LEU 4 3.765 -19.041 -3.529 29 HG LEU 4 HG LEU 4 6.525 -18.045 -2.812 30 HD11 LEU 4 1HD1 LEU 4 5.861 -16.017 -4.015 31 HD12 LEU 4 2HD1 LEU 4 4.378 -16.821 -4.532 32 HD13 LEU 4 3HD1 LEU 4 5.943 -17.422 -5.078 33 HD21 LEU 4 3HD2 LEU 4 3.779 -17.051 -2.042 34 HD22 LEU 4 1HD2 LEU 4 5.306 -16.264 -1.649 35 HD23 LEU 4 2HD2 LEU 4 4.931 -17.850 -0.973 36 H TYR 5 H TYR 5 2.407 -20.607 -2.187 37 HA TYR 5 HA TYR 5 2.452 -23.072 -3.723 38 HB2 TYR 5 1HB TYR 5 2.645 -23.749 -1.321 39 HB3 TYR 5 2HB TYR 5 1.090 -22.978 -1.028 40 HD1 TYR 5 HD1 TYR 5 2.736 -25.652 -2.981 41 HD2 TYR 5 HD2 TYR 5 -0.924 -24.145 -1.429 42 HE1 TYR 5 HE1 TYR 5 1.611 -27.730 -3.642 43 HE2 TYR 5 HE2 TYR 5 -2.061 -26.219 -2.089 44 HH TYR 5 HH TYR 5 -0.387 -29.013 -2.984 45 H SER 6 H SER 6 0.037 -21.451 -1.670 46 HA SER 6 HA SER 6 -1.929 -21.654 -3.743 47 HB2 SER 6 1HB SER 6 -2.037 -20.291 -1.045 48 HB3 SER 6 2HB SER 6 -3.421 -20.600 -2.096 49 HG SER 6 HG SER 6 -2.930 -22.847 -1.910 50 H GLY 7 H GLY 7 -3.169 -19.794 -4.533 51 HA2 GLY 7 1HA GLY 7 -1.471 -17.756 -5.545 52 HA3 GLY 7 2HA GLY 7 -3.219 -17.833 -5.720 53 H ASN 8 H ASN 8 -1.489 -15.582 -5.178 54 HA ASN 8 HA ASN 8 -2.959 -14.205 -3.219 55 HB2 ASN 8 1HB ASN 8 -1.316 -13.952 -1.391 56 HB3 ASN 8 2HB ASN 8 -1.832 -15.621 -1.575 57 HD21 ASN 8 2HD2 ASN 8 0.533 -14.630 -0.282 58 HD22 ASN 8 1HD2 ASN 8 1.888 -15.322 -1.099 59 H LEU 9 H LEU 9 0.209 -14.455 -4.626 60 HA LEU 9 HA LEU 9 0.811 -11.680 -4.500 61 HB2 LEU 9 1HB LEU 9 2.012 -13.743 -6.333 62 HB3 LEU 9 2HB LEU 9 2.592 -12.098 -6.155 63 HG LEU 9 HG LEU 9 2.607 -14.256 -4.045 64 HD11 LEU 9 1HD1 LEU 9 4.813 -12.828 -5.514 65 HD12 LEU 9 2HD1 LEU 9 4.343 -14.521 -5.694 66 HD13 LEU 9 3HD1 LEU 9 5.041 -13.952 -4.177 67 HD21 LEU 9 3HD2 LEU 9 3.409 -11.351 -3.848 68 HD22 LEU 9 1HD2 LEU 9 3.776 -12.586 -2.641 69 HD23 LEU 9 2HD2 LEU 9 2.100 -12.144 -2.973 70 H ALA 10 H ALA 10 -1.009 -13.524 -6.765 71 HA ALA 10 HA ALA 10 -0.917 -11.896 -9.013 72 HB1 ALA 10 3HB ALA 10 -2.047 -14.063 -8.975 73 HB2 ALA 10 1HB ALA 10 -3.124 -12.798 -9.575 74 HB3 ALA 10 2HB ALA 10 -3.298 -13.397 -7.921 75 H ALA 11 H ALA 11 -3.119 -11.667 -6.221 76 HA ALA 11 HA ALA 11 -4.359 -9.252 -7.098 77 HB1 ALA 11 3HB ALA 11 -5.318 -9.169 -4.834 78 HB2 ALA 11 1HB ALA 11 -4.248 -10.484 -4.339 79 HB3 ALA 11 2HB ALA 11 -5.494 -10.770 -5.556 80 H PHE 12 H PHE 12 -1.751 -10.022 -4.889 81 HA PHE 12 HA PHE 12 -1.288 -7.502 -3.794 82 HB2 PHE 12 1HB PHE 12 -0.303 -9.552 -2.897 83 HB3 PHE 12 2HB PHE 12 0.705 -9.709 -4.328 84 HD1 PHE 12 HD1 PHE 12 0.053 -7.539 -1.394 85 HD2 PHE 12 HD2 PHE 12 2.797 -8.673 -4.443 86 HE1 PHE 12 HE1 PHE 12 1.819 -6.221 -0.294 87 HE2 PHE 12 HE2 PHE 12 4.567 -7.356 -3.347 88 HZ PHE 12 HZ PHE 12 4.075 -6.130 -1.273 89 H LYS 13 H LYS 13 0.299 -8.959 -6.759 90 HA LYS 13 HA LYS 13 2.059 -6.907 -7.201 91 HB2 LYS 13 1HB LYS 13 0.740 -8.815 -9.121 92 HB3 LYS 13 2HB LYS 13 2.082 -7.770 -9.552 93 HG2 LYS 13 1HG LYS 13 3.480 -8.896 -7.874 94 HG3 LYS 13 2HG LYS 13 2.127 -9.958 -7.477 95 HD2 LYS 13 1HD LYS 13 3.416 -9.733 -10.203 96 HD3 LYS 13 2HD LYS 13 3.751 -11.006 -9.030 97 HE2 LYS 13 1HE LYS 13 1.332 -11.607 -9.096 98 HE3 LYS 13 2HE LYS 13 1.121 -10.426 -10.388 99 HZ1 LYS 13 3HZ LYS 13 2.886 -12.812 -10.501 100 HZ2 LYS 13 1HZ LYS 13 2.679 -11.683 -11.743 101 HZ3 LYS 13 2HZ LYS 13 1.387 -12.656 -11.258 102 H ALA 14 H ALA 14 -1.309 -7.222 -8.152 103 HA ALA 14 HA ALA 14 -1.416 -5.347 -10.216 104 HB1 ALA 14 3HB ALA 14 -3.599 -6.038 -8.256 105 HB2 ALA 14 1HB ALA 14 -3.211 -6.937 -9.723 106 HB3 ALA 14 2HB ALA 14 -3.815 -5.285 -9.837 107 H ALA 15 H ALA 15 -1.334 -4.840 -6.771 108 HA ALA 15 HA ALA 15 -2.340 -2.190 -6.732 109 HB1 ALA 15 3HB ALA 15 -2.214 -3.620 -4.738 110 HB2 ALA 15 1HB ALA 15 -1.431 -2.060 -4.490 111 HB3 ALA 15 2HB ALA 15 -0.456 -3.502 -4.777 112 H THR 16 H THR 16 0.773 -3.523 -7.473 113 HA THR 16 HA THR 16 2.472 -1.373 -6.933 114 HB THR 16 HB THR 16 2.797 -3.346 -9.199 115 HG1 THR 16 HG1 THR 16 2.684 -4.733 -7.594 116 HG21 THR 16 3HG2 THR 16 5.189 -3.042 -8.783 117 HG22 THR 16 1HG2 THR 16 4.830 -1.904 -7.487 118 HG23 THR 16 2HG2 THR 16 4.429 -1.499 -9.152 119 H ASN 17 H ASN 17 0.714 -2.175 -9.918 120 HA ASN 17 HA ASN 17 1.836 -0.123 -11.498 121 HB2 ASN 17 1HB ASN 17 0.640 -2.126 -12.401 122 HB3 ASN 17 2HB ASN 17 -0.878 -1.404 -11.876 123 HD21 ASN 17 2HD2 ASN 17 -1.683 -1.269 -13.966 124 HD22 ASN 17 1HD2 ASN 17 -1.073 -0.132 -15.125 125 H LYS 18 H LYS 18 -0.766 -0.122 -9.196 126 HA LYS 18 HA LYS 18 -1.996 2.253 -10.248 127 HB2 LYS 18 1HB LYS 18 -2.492 0.717 -7.698 128 HB3 LYS 18 2HB LYS 18 -3.399 2.148 -8.179 129 HG2 LYS 18 1HG LYS 18 -4.043 0.933 -10.274 130 HG3 LYS 18 2HG LYS 18 -3.295 -0.509 -9.592 131 HD2 LYS 18 1HD LYS 18 -5.526 1.045 -8.293 132 HD3 LYS 18 2HD LYS 18 -5.760 -0.405 -9.270 133 HE2 LYS 18 1HE LYS 18 -4.408 -1.685 -7.684 134 HE3 LYS 18 2HE LYS 18 -4.160 -0.228 -6.717 135 HZ1 LYS 18 3HZ LYS 18 -6.615 -0.124 -6.454 136 HZ2 LYS 18 1HZ LYS 18 -5.913 -1.485 -5.740 137 HZ3 LYS 18 2HZ LYS 18 -6.731 -1.629 -7.207 138 H LEU 19 H LEU 19 0.219 1.345 -7.698 139 HA LEU 19 HA LEU 19 0.357 3.755 -6.271 140 HB2 LEU 19 1HB LEU 19 2.444 1.628 -6.780 141 HB3 LEU 19 2HB LEU 19 2.654 2.934 -5.637 142 HG LEU 19 HG LEU 19 0.445 0.891 -5.417 143 HD11 LEU 19 1HD1 LEU 19 1.840 -0.171 -3.693 144 HD12 LEU 19 2HD1 LEU 19 3.159 0.923 -4.100 145 HD13 LEU 19 3HD1 LEU 19 2.587 -0.246 -5.286 146 HD21 LEU 19 3HD2 LEU 19 0.311 1.675 -3.116 147 HD22 LEU 19 1HD2 LEU 19 0.074 3.017 -4.238 148 HD23 LEU 19 2HD2 LEU 19 1.621 2.819 -3.412 149 H PHE 20 H PHE 20 2.205 2.536 -9.026 150 HA PHE 20 HA PHE 20 4.011 4.663 -9.312 151 HB2 PHE 20 1HB PHE 20 4.369 2.550 -10.467 152 HB3 PHE 20 2HB PHE 20 2.892 2.772 -11.399 153 HD1 PHE 20 HD1 PHE 20 6.239 4.277 -10.791 154 HD2 PHE 20 HD2 PHE 20 2.949 3.845 -13.455 155 HE1 PHE 20 HE1 PHE 20 7.511 5.434 -12.547 156 HE2 PHE 20 HE2 PHE 20 4.217 4.999 -15.217 157 HZ PHE 20 HZ PHE 20 6.501 5.798 -14.765 158 H GLN 21 H GLN 21 0.795 4.136 -10.587 159 HA GLN 21 HA GLN 21 0.781 6.248 -12.410 160 HB2 GLN 21 1HB GLN 21 -1.440 4.737 -11.089 161 HB3 GLN 21 2HB GLN 21 -1.736 6.022 -12.253 162 HG2 GLN 21 1HG GLN 21 -0.476 4.805 -13.938 163 HG3 GLN 21 2HG GLN 21 -0.135 3.528 -12.775 164 HE21 GLN 21 2HE2 GLN 21 -2.823 3.677 -11.612 165 HE22 GLN 21 1HE2 GLN 21 -3.869 2.912 -12.754 166 H LEU 22 H LEU 22 0.752 6.649 -8.866 167 HA LEU 22 HA LEU 22 -0.584 9.171 -9.297 168 HB2 LEU 22 1HB LEU 22 -1.739 7.637 -7.740 169 HB3 LEU 22 2HB LEU 22 -0.273 7.484 -6.801 170 HG LEU 22 HG LEU 22 -0.414 9.857 -6.175 171 HD11 LEU 22 1HD1 LEU 22 -1.543 10.710 -8.159 172 HD12 LEU 22 2HD1 LEU 22 -2.424 11.145 -6.696 173 HD13 LEU 22 3HD1 LEU 22 -3.007 9.830 -7.712 174 HD21 LEU 22 3HD2 LEU 22 -1.444 8.182 -4.743 175 HD22 LEU 22 1HD2 LEU 22 -2.946 8.295 -5.665 176 HD23 LEU 22 2HD2 LEU 22 -2.380 9.680 -4.728 177 H ASP 23 H ASP 23 2.332 7.720 -9.166 178 HA ASP 23 HA ASP 23 4.462 8.431 -8.957 179 HB2 ASP 23 1HB ASP 23 3.203 11.150 -8.587 180 HB3 ASP 23 2HB ASP 23 4.934 10.880 -8.736 181 H LEU 24 H LEU 24 3.833 7.105 -6.843 182 HA LEU 24 HA LEU 24 5.131 8.610 -4.705 183 HB2 LEU 24 1HB LEU 24 3.615 7.527 -3.009 184 HB3 LEU 24 2HB LEU 24 2.893 8.778 -3.994 185 HG LEU 24 HG LEU 24 1.907 6.901 -5.410 186 HD11 LEU 24 1HD1 LEU 24 1.657 4.735 -4.326 187 HD12 LEU 24 2HD1 LEU 24 2.709 5.262 -3.011 188 HD13 LEU 24 3HD1 LEU 24 3.352 5.099 -4.646 189 HD21 LEU 24 3HD2 LEU 24 0.582 8.217 -3.870 190 HD22 LEU 24 1HD2 LEU 24 1.075 7.185 -2.528 191 HD23 LEU 24 2HD2 LEU 24 0.074 6.526 -3.823 192 H ALA 25 H ALA 25 5.871 7.084 -2.886 193 HA ALA 25 HA ALA 25 6.885 4.619 -4.142 194 HB1 ALA 25 3HB ALA 25 8.927 4.877 -2.873 195 HB2 ALA 25 1HB ALA 25 8.294 6.337 -2.116 196 HB3 ALA 25 2HB ALA 25 8.624 6.319 -3.848 197 H VAL 26 H VAL 26 7.304 2.825 -2.771 198 HA VAL 26 HA VAL 26 5.976 2.815 -0.161 199 HB VAL 26 HB VAL 26 5.388 0.791 -2.342 200 HG11 VAL 26 1HG1 VAL 26 3.834 -0.215 -0.720 201 HG12 VAL 26 2HG1 VAL 26 4.415 0.910 0.507 202 HG13 VAL 26 3HG1 VAL 26 5.511 -0.291 -0.175 203 HG21 VAL 26 3HG2 VAL 26 3.634 2.864 -1.042 204 HG22 VAL 26 1HG2 VAL 26 3.055 1.590 -2.117 205 HG23 VAL 26 2HG2 VAL 26 4.160 2.822 -2.723 206 H ILE 27 H ILE 27 7.171 1.686 1.326 207 HA ILE 27 HA ILE 27 9.095 -0.286 0.311 208 HB ILE 27 HB ILE 27 10.803 0.503 1.938 209 HG12 ILE 27 1HG1 ILE 27 9.045 2.954 2.175 210 HG13 ILE 27 2HG1 ILE 27 9.261 1.747 3.435 211 HG21 ILE 27 1HG2 ILE 27 10.984 1.074 -0.407 212 HG22 ILE 27 2HG2 ILE 27 11.576 2.401 0.597 213 HG23 ILE 27 3HG2 ILE 27 9.985 2.506 -0.155 214 HD11 ILE 27 3HD1 ILE 27 11.415 3.505 2.289 215 HD12 ILE 27 1HD1 ILE 27 11.629 2.311 3.567 216 HD13 ILE 27 2HD1 ILE 27 10.614 3.728 3.843 217 H TYR 28 H TYR 28 9.139 -2.141 1.364 218 HA TYR 28 HA TYR 28 7.994 -2.265 4.077 219 HB2 TYR 28 1HB TYR 28 7.277 -4.614 3.460 220 HB3 TYR 28 2HB TYR 28 6.405 -3.319 2.645 221 HD1 TYR 28 HD1 TYR 28 8.825 -6.055 2.222 222 HD2 TYR 28 HD2 TYR 28 6.642 -2.978 0.254 223 HE1 TYR 28 HE1 TYR 28 9.378 -7.061 0.043 224 HE2 TYR 28 HE2 TYR 28 7.183 -3.976 -1.925 225 HH TYR 28 HH TYR 28 8.869 -5.433 -2.909 226 H ASP 29 H ASP 29 8.736 -4.073 5.391 227 HA ASP 29 HA ASP 29 11.368 -5.150 4.718 228 HB2 ASP 29 1HB ASP 29 10.852 -3.407 7.133 229 HB3 ASP 29 2HB ASP 29 12.219 -4.502 7.027 230 H ASP 30 H ASP 30 11.877 -7.056 5.759 231 HA ASP 30 HA ASP 30 10.231 -8.016 7.938 232 HB2 ASP 30 1HB ASP 30 8.915 -8.925 6.169 233 HB3 ASP 30 2HB ASP 30 10.346 -9.437 5.280 234 H TRP 31 H TRP 31 11.714 -8.696 9.423 235 HA TRP 31 HA TRP 31 13.865 -10.394 8.428 236 HB2 TRP 31 1HB TRP 31 14.035 -8.213 10.510 237 HB3 TRP 31 2HB TRP 31 15.251 -9.473 10.337 238 HD1 TRP 31 HD1 TRP 31 14.338 -6.113 9.048 239 HE1 TRP 31 HE1 TRP 31 15.891 -5.459 7.099 240 HE3 TRP 31 HE3 TRP 31 16.504 -10.657 8.173 241 HZ2 TRP 31 HZ2 TRP 31 17.780 -6.709 5.412 242 HZ3 TRP 31 HZ3 TRP 31 18.168 -10.846 6.372 243 HH2 TRP 31 HH2 TRP 31 18.793 -8.912 5.023 244 H TYR 32 H TYR 32 13.158 -12.338 9.015 245 HA TYR 32 HA TYR 32 12.229 -12.721 11.768 246 HB2 TYR 32 1HB TYR 32 11.309 -14.878 10.991 247 HB3 TYR 32 2HB TYR 32 10.686 -13.542 10.032 248 HD1 TYR 32 HD2 TYR 32 11.870 -13.105 7.757 249 HD2 TYR 32 HD1 TYR 32 12.237 -16.731 9.946 250 HE1 TYR 32 HE2 TYR 32 12.590 -14.263 5.710 251 HE2 TYR 32 HE1 TYR 32 12.959 -17.897 7.906 252 HH TYR 32 HH TYR 32 12.629 -17.517 5.341 253 H ASP 33 H ASP 33 13.511 -13.678 13.197 254 HA ASP 33 HA ASP 33 16.205 -14.174 12.513 255 HB2 ASP 33 1HB ASP 33 15.482 -13.283 14.715 256 HB3 ASP 33 2HB ASP 33 14.882 -14.889 15.122 257 H ALA 34 H ALA 34 13.480 -16.546 13.043 258 HA ALA 34 HA ALA 34 15.481 -18.601 12.626 259 HB1 ALA 34 3HB ALA 34 14.239 -19.996 14.207 260 HB2 ALA 34 1HB ALA 34 13.130 -18.664 14.525 261 HB3 ALA 34 2HB ALA 34 14.827 -18.531 14.988 262 H TYR 35 H TYR 35 14.262 -20.674 11.995 263 HA TYR 35 HA TYR 35 12.521 -19.853 9.782 264 HB2 TYR 35 1HB TYR 35 12.993 -22.032 8.742 265 HB3 TYR 35 2HB TYR 35 14.462 -21.136 9.090 266 HD1 TYR 35 HD1 TYR 35 12.414 -24.043 10.041 267 HD2 TYR 35 HD2 TYR 35 16.085 -21.986 10.642 268 HE1 TYR 35 HE1 TYR 35 13.325 -26.018 11.195 269 HE2 TYR 35 HE2 TYR 35 17.002 -23.947 11.797 270 HH TYR 35 HH TYR 35 16.341 -25.920 12.898 271 H THR 36 H THR 36 12.235 -21.262 12.834 272 HA THR 36 HA THR 36 9.791 -22.666 12.114 273 HB THR 36 HB THR 36 9.869 -23.264 14.616 274 HG1 THR 36 HG1 THR 36 11.615 -22.701 15.719 275 HG21 THR 36 3HG2 THR 36 10.411 -24.871 12.871 276 HG22 THR 36 1HG2 THR 36 11.529 -25.047 14.222 277 HG23 THR 36 2HG2 THR 36 12.046 -24.225 12.753 278 H ARG 37 H ARG 37 10.571 -19.598 12.723 279 HA ARG 37 HA ARG 37 8.298 -19.056 14.489 280 HB2 ARG 37 1HB ARG 37 10.658 -17.343 13.719 281 HB3 ARG 37 2HB ARG 37 9.283 -16.743 14.636 282 HG2 ARG 37 1HG ARG 37 9.754 -18.325 16.422 283 HG3 ARG 37 2HG ARG 37 11.102 -18.986 15.496 284 HD2 ARG 37 1HD ARG 37 11.930 -17.437 17.168 285 HD3 ARG 37 2HD ARG 37 12.199 -16.787 15.553 286 HE ARG 37 HE ARG 37 9.752 -15.810 16.505 287 HH11 ARG 37 1HH2 ARG 37 13.173 -15.502 17.198 288 HH12 ARG 37 2HH2 ARG 37 13.037 -13.885 17.796 289 HH21 ARG 37 1HH1 ARG 37 9.573 -13.649 17.282 290 HH22 ARG 37 2HH1 ARG 37 10.993 -12.829 17.845 291 H LYS 38 H LYS 38 6.977 -17.155 14.005 292 HA LYS 38 HA LYS 38 6.011 -17.313 11.312 293 HB2 LYS 38 1HB LYS 38 4.469 -17.184 13.222 294 HB3 LYS 38 2HB LYS 38 5.093 -15.595 13.634 295 HG2 LYS 38 1HG LYS 38 2.982 -15.353 12.510 296 HG3 LYS 38 2HG LYS 38 4.265 -14.750 11.459 297 HD2 LYS 38 1HD LYS 38 4.215 -16.807 10.169 298 HD3 LYS 38 2HD LYS 38 3.022 -17.496 11.270 299 HE2 LYS 38 1HE LYS 38 1.901 -16.719 9.282 300 HE3 LYS 38 2HE LYS 38 1.453 -15.686 10.634 301 HZ1 LYS 38 3HZ LYS 38 3.475 -15.052 8.541 302 HZ2 LYS 38 1HZ LYS 38 3.091 -14.051 9.852 303 HZ3 LYS 38 2HZ LYS 38 1.932 -14.374 8.664 304 H ASP 39 H ASP 39 5.943 -15.735 9.774 305 HA ASP 39 HA ASP 39 8.059 -13.820 9.667 306 HB2 ASP 39 1HB ASP 39 7.022 -13.240 7.466 307 HB3 ASP 39 2HB ASP 39 7.356 -14.959 7.653 308 H CYS 40 H CYS 40 7.573 -11.529 8.892 309 HA CYS 40 HA CYS 40 5.190 -10.339 10.107 310 HB2 CYS 40 1HB CYS 40 6.618 -8.606 11.194 311 HB3 CYS 40 2HB CYS 40 6.847 -10.215 11.872 312 HG CYS 40 HG CYS 40 9.037 -10.025 9.527 313 H ILE 41 H ILE 41 4.722 -8.202 9.226 314 HA ILE 41 HA ILE 41 6.409 -7.430 6.958 315 HB ILE 41 HB ILE 41 3.407 -7.789 6.780 316 HG12 ILE 41 1HG1 ILE 41 5.620 -9.085 5.166 317 HG13 ILE 41 2HG1 ILE 41 4.814 -9.851 6.528 318 HG21 ILE 41 1HG2 ILE 41 4.025 -5.759 5.628 319 HG22 ILE 41 2HG2 ILE 41 3.649 -7.007 4.443 320 HG23 ILE 41 3HG2 ILE 41 5.327 -6.593 4.783 321 HD11 ILE 41 3HD1 ILE 41 3.931 -10.635 4.406 322 HD12 ILE 41 1HD1 ILE 41 3.500 -8.983 3.964 323 HD13 ILE 41 2HD1 ILE 41 2.698 -9.771 5.326 324 H ARG 42 H ARG 42 7.028 -5.360 7.322 325 HA ARG 42 HA ARG 42 5.037 -3.554 8.519 326 HB2 ARG 42 1HB ARG 42 8.036 -3.180 8.274 327 HB3 ARG 42 2HB ARG 42 6.920 -2.094 9.091 328 HG2 ARG 42 1HG ARG 42 6.383 -3.911 10.672 329 HG3 ARG 42 2HG ARG 42 7.619 -4.906 9.902 330 HD2 ARG 42 1HD ARG 42 8.691 -3.965 11.758 331 HD3 ARG 42 2HD ARG 42 9.212 -2.972 10.397 332 HE ARG 42 HE ARG 42 6.878 -2.012 11.828 333 HH11 ARG 42 1HH2 ARG 42 10.350 -1.783 11.392 334 HH12 ARG 42 2HH2 ARG 42 10.505 -0.310 12.284 335 HH21 ARG 42 1HH1 ARG 42 7.069 -0.055 13.012 336 HH22 ARG 42 2HH1 ARG 42 8.615 0.690 13.194 337 H LEU 43 H LEU 43 4.259 -1.878 7.329 338 HA LEU 43 HA LEU 43 5.417 -1.501 4.639 339 HB2 LEU 43 1HB LEU 43 3.102 -2.571 4.900 340 HB3 LEU 43 2HB LEU 43 2.554 -1.015 5.474 341 HG LEU 43 HG LEU 43 3.229 -0.044 3.244 342 HD11 LEU 43 1HD1 LEU 43 3.542 -2.965 2.535 343 HD12 LEU 43 2HD1 LEU 43 4.837 -1.765 2.593 344 HD13 LEU 43 3HD1 LEU 43 3.549 -1.620 1.395 345 HD21 LEU 43 3HD2 LEU 43 0.913 -0.583 3.742 346 HD22 LEU 43 1HD2 LEU 43 1.187 -2.262 3.268 347 HD23 LEU 43 2HD2 LEU 43 1.288 -0.979 2.063 348 H ARG 44 H ARG 44 6.447 0.441 4.497 349 HA ARG 44 HA ARG 44 5.400 2.697 6.081 350 HB2 ARG 44 1HB ARG 44 7.616 1.971 6.793 351 HB3 ARG 44 2HB ARG 44 8.222 2.134 5.154 352 HG2 ARG 44 1HG ARG 44 7.943 4.527 5.243 353 HG3 ARG 44 2HG ARG 44 7.197 4.411 6.839 354 HD2 ARG 44 1HD ARG 44 9.258 3.553 7.776 355 HD3 ARG 44 2HD ARG 44 10.006 3.530 6.180 356 HE ARG 44 HE ARG 44 9.906 5.957 6.186 357 HH11 ARG 44 1HH2 ARG 44 9.430 4.392 9.314 358 HH12 ARG 44 2HH2 ARG 44 9.934 5.784 10.203 359 HH21 ARG 44 1HH1 ARG 44 10.558 7.761 7.376 360 HH22 ARG 44 2HH1 ARG 44 10.579 7.703 9.110 361 H ILE 45 H ILE 45 4.779 4.529 5.063 362 HA ILE 45 HA ILE 45 5.321 4.765 2.160 363 HB ILE 45 HB ILE 45 2.931 5.882 3.667 364 HG12 ILE 45 1HG1 ILE 45 2.875 3.393 3.637 365 HG13 ILE 45 2HG1 ILE 45 1.579 4.110 2.687 366 HG21 ILE 45 1HG2 ILE 45 3.494 5.603 0.715 367 HG22 ILE 45 2HG2 ILE 45 3.511 7.107 1.644 368 HG23 ILE 45 3HG2 ILE 45 1.998 6.224 1.419 369 HD11 ILE 45 3HD1 ILE 45 2.810 3.649 0.651 370 HD12 ILE 45 1HD1 ILE 45 2.544 2.179 1.585 371 HD13 ILE 45 2HD1 ILE 45 4.132 2.953 1.593 372 H GLU 46 H GLU 46 6.304 6.701 1.486 373 HA GLU 46 HA GLU 46 6.106 9.078 3.111 374 HB2 GLU 46 1HB GLU 46 8.783 7.764 2.579 375 HB3 GLU 46 2HB GLU 46 8.619 9.460 2.988 376 HG2 GLU 46 1HG GLU 46 7.557 8.772 5.135 377 HG3 GLU 46 2HG GLU 46 7.897 7.100 4.709 378 H ASP 47 H ASP 47 7.270 10.933 1.982 379 HA ASP 47 HA ASP 47 6.596 10.970 -0.809 380 HB2 ASP 47 1HB ASP 47 6.327 12.990 0.601 381 HB3 ASP 47 2HB ASP 47 8.060 13.019 0.901 382 H ARG 48 H ARG 48 8.835 12.479 -1.937 383 HA ARG 48 HA ARG 48 10.621 10.216 -2.197 384 HB2 ARG 48 1HB ARG 48 10.100 12.499 -4.120 385 HB3 ARG 48 2HB ARG 48 11.132 11.101 -4.414 386 HG2 ARG 48 1HG ARG 48 9.253 10.437 -5.524 387 HG3 ARG 48 2HG ARG 48 8.902 9.778 -3.923 388 HD2 ARG 48 1HD ARG 48 6.916 10.852 -4.368 389 HD3 ARG 48 2HD ARG 48 7.804 12.145 -3.552 390 HE ARG 48 HE ARG 48 8.149 12.125 -6.401 391 HH11 ARG 48 1HH2 ARG 48 6.223 13.415 -3.730 392 HH12 ARG 48 2HH2 ARG 48 5.448 14.598 -4.733 393 HH21 ARG 48 1HH1 ARG 48 7.131 13.696 -7.678 394 HH22 ARG 48 2HH1 ARG 48 5.975 14.773 -6.973 395 H SER 49 H SER 49 10.286 13.696 -1.726 396 HA SER 49 HA SER 49 13.120 14.098 -1.469 397 HB2 SER 49 1HB SER 49 10.807 15.981 -0.998 398 HB3 SER 49 2HB SER 49 12.504 16.437 -1.164 399 HG SER 49 HG SER 49 12.080 15.096 -3.300 400 H GLY 50 H GLY 50 10.468 15.098 0.696 401 HA2 GLY 50 1HA GLY 50 11.574 13.701 2.956 402 HA3 GLY 50 2HA GLY 50 11.983 15.406 2.987 403 H ASN 51 H ASN 51 9.195 13.235 2.678 404 HA ASN 51 HA ASN 51 7.833 14.744 4.738 405 HB2 ASN 51 1HB ASN 51 7.091 15.973 2.769 406 HB3 ASN 51 2HB ASN 51 6.634 14.479 1.964 407 HD21 ASN 51 2HD2 ASN 51 5.812 16.745 4.490 408 HD22 ASN 51 1HD2 ASN 51 4.194 16.188 4.726 409 H LEU 52 H LEU 52 7.269 13.260 6.083 410 HA LEU 52 HA LEU 52 6.899 10.533 5.327 411 HB2 LEU 52 1HB LEU 52 6.394 10.033 7.626 412 HB3 LEU 52 2HB LEU 52 7.773 11.094 7.544 413 HG LEU 52 HG LEU 52 4.979 12.033 8.224 414 HD11 LEU 52 1HD1 LEU 52 5.714 10.457 9.900 415 HD12 LEU 52 2HD1 LEU 52 5.780 12.096 10.549 416 HD13 LEU 52 3HD1 LEU 52 7.262 11.288 10.042 417 HD21 LEU 52 3HD2 LEU 52 7.700 13.333 8.392 418 HD22 LEU 52 1HD2 LEU 52 6.262 13.962 9.200 419 HD23 LEU 52 2HD2 LEU 52 6.308 13.857 7.445 420 H ILE 53 H ILE 53 5.073 9.288 5.161 421 HA ILE 53 HA ILE 53 2.608 10.856 4.881 422 HB ILE 53 HB ILE 53 3.333 8.237 3.542 423 HG12 ILE 53 1HG1 ILE 53 4.512 10.175 2.578 424 HG13 ILE 53 2HG1 ILE 53 3.314 9.544 1.455 425 HG21 ILE 53 1HG2 ILE 53 1.220 8.516 2.300 426 HG22 ILE 53 2HG2 ILE 53 0.833 9.914 3.308 427 HG23 ILE 53 3HG2 ILE 53 0.956 8.310 4.034 428 HD11 ILE 53 3HD1 ILE 53 3.065 12.011 3.165 429 HD12 ILE 53 1HD1 ILE 53 1.786 11.361 2.141 430 HD13 ILE 53 2HD1 ILE 53 3.284 11.941 1.419 431 H ASP 54 H ASP 54 3.556 7.476 5.644 432 HA ASP 54 HA ASP 54 2.093 7.522 8.102 433 HB2 ASP 54 1HB ASP 54 0.302 7.270 6.252 434 HB3 ASP 54 2HB ASP 54 0.949 5.647 6.034 435 H THR 55 H THR 55 2.051 5.299 9.116 436 HA THR 55 HA THR 55 4.147 3.509 8.142 437 HB THR 55 HB THR 55 5.066 3.358 10.513 438 HG1 THR 55 HG1 THR 55 3.302 5.535 10.778 439 HG21 THR 55 3HG2 THR 55 5.420 5.995 9.074 440 HG22 THR 55 1HG2 THR 55 6.305 4.505 8.743 441 HG23 THR 55 2HG2 THR 55 6.515 5.329 10.288 442 H SER 56 H SER 56 3.531 1.395 8.391 443 HA SER 56 HA SER 56 1.553 0.778 10.463 444 HB2 SER 56 1HB SER 56 0.326 1.220 8.353 445 HB3 SER 56 2HB SER 56 1.250 -0.060 7.570 446 HG SER 56 HG SER 56 -0.868 -0.665 8.402 447 H THR 57 H THR 57 1.817 -1.178 11.420 448 HA THR 57 HA THR 57 3.779 -3.033 10.243 449 HB THR 57 HB THR 57 3.259 -2.444 13.175 450 HG1 THR 57 HG1 THR 57 4.588 -0.887 12.406 451 HG21 THR 57 3HG2 THR 57 3.742 -4.782 12.982 452 HG22 THR 57 1HG2 THR 57 5.205 -3.991 13.561 453 HG23 THR 57 2HG2 THR 57 5.073 -4.488 11.870 454 H PHE 58 H PHE 58 2.984 -5.014 9.750 455 HA PHE 58 HA PHE 58 0.346 -5.710 10.838 456 HB2 PHE 58 1HB PHE 58 1.665 -6.501 8.242 457 HB3 PHE 58 2HB PHE 58 0.145 -7.171 8.816 458 HD1 PHE 58 HD2 PHE 58 -1.840 -5.703 9.025 459 HD2 PHE 58 HD1 PHE 58 1.775 -4.379 7.214 460 HE1 PHE 58 HE2 PHE 58 -3.058 -3.847 7.963 461 HE2 PHE 58 HE1 PHE 58 0.565 -2.521 6.148 462 HZ PHE 58 HZ PHE 58 -1.854 -2.255 6.521 463 H TYR 59 H TYR 59 0.365 -7.193 12.346 464 HA TYR 59 HA TYR 59 1.584 -9.754 11.895 465 HB2 TYR 59 1HB TYR 59 2.953 -9.836 13.911 466 HB3 TYR 59 2HB TYR 59 3.474 -8.460 12.949 467 HD1 TYR 59 HD2 TYR 59 2.577 -6.144 13.644 468 HD2 TYR 59 HD1 TYR 59 2.362 -9.564 16.159 469 HE1 TYR 59 HE2 TYR 59 2.267 -4.683 15.598 470 HE2 TYR 59 HE1 TYR 59 2.045 -8.114 18.117 471 HH TYR 59 HH TYR 59 2.502 -5.832 18.795 472 H HIS 60 H HIS 60 0.055 -11.207 12.542 473 HA HIS 60 HA HIS 60 -1.232 -11.144 15.033 474 HB2 HIS 60 1HB HIS 60 -2.322 -9.113 14.039 475 HB3 HIS 60 2HB HIS 60 -3.042 -10.151 12.820 476 HD1 HIS 60 HD1 HIS 60 -3.053 -9.741 16.606 477 HD2 HIS 60 HD2 HIS 60 -5.469 -11.158 13.532 478 HE1 HIS 60 HE1 HIS 60 -5.242 -10.311 17.684 479 H HIS 61 H HIS 61 -2.530 -11.797 11.784 480 HA HIS 61 HA HIS 61 -2.885 -14.583 12.609 481 HB2 HIS 61 1HB HIS 61 -4.995 -12.940 12.347 482 HB3 HIS 61 2HB HIS 61 -4.857 -13.496 10.682 483 HD1 HIS 61 HD1 HIS 61 -6.439 -15.399 10.313 484 HD2 HIS 61 HD2 HIS 61 -4.740 -15.502 14.109 485 HE1 HIS 61 HE1 HIS 61 -7.374 -17.438 11.409 486 H ASP 62 H ASP 62 -3.232 -16.094 10.789 487 HA ASP 62 HA ASP 62 -1.044 -16.458 9.246 488 HB2 ASP 62 1HB ASP 62 -2.735 -18.174 9.625 489 HB3 ASP 62 2HB ASP 62 -3.888 -17.303 8.624 490 H GLU 63 H GLU 63 -1.230 -16.785 6.750 491 HA GLU 63 HA GLU 63 -0.685 -14.180 5.741 492 HB2 GLU 63 1HB GLU 63 -0.110 -15.291 3.638 493 HB3 GLU 63 2HB GLU 63 0.626 -16.092 5.016 494 HG2 GLU 63 1HG GLU 63 -1.156 -17.802 4.922 495 HG3 GLU 63 2HG GLU 63 -1.791 -17.013 3.479 496 H ASP 64 H ASP 64 -3.415 -16.331 5.465 497 HA ASP 64 HA ASP 64 -4.780 -15.236 3.290 498 HB2 ASP 64 1HB ASP 64 -5.574 -17.248 4.346 499 HB3 ASP 64 2HB ASP 64 -5.790 -16.427 5.883 500 H VAL 65 H VAL 65 -5.180 -14.471 6.698 501 HA VAL 65 HA VAL 65 -6.811 -12.199 6.273 502 HB VAL 65 HB VAL 65 -5.231 -12.970 8.730 503 HG11 VAL 65 1HG1 VAL 65 -7.480 -10.985 8.412 504 HG12 VAL 65 2HG1 VAL 65 -5.804 -10.610 8.810 505 HG13 VAL 65 3HG1 VAL 65 -6.801 -11.511 9.951 506 HG21 VAL 65 3HG2 VAL 65 -8.119 -13.444 8.011 507 HG22 VAL 65 1HG2 VAL 65 -7.358 -13.859 9.547 508 HG23 VAL 65 2HG2 VAL 65 -6.841 -14.663 8.063 509 H LEU 66 H LEU 66 -3.350 -12.597 6.809 510 HA LEU 66 HA LEU 66 -2.713 -9.951 7.440 511 HB2 LEU 66 1HB LEU 66 -1.324 -12.168 7.505 512 HB3 LEU 66 2HB LEU 66 -0.844 -11.708 5.890 513 HG LEU 66 HG LEU 66 0.858 -11.075 7.495 514 HD11 LEU 66 1HD1 LEU 66 -0.567 -8.636 6.470 515 HD12 LEU 66 2HD1 LEU 66 0.579 -9.625 5.563 516 HD13 LEU 66 3HD1 LEU 66 1.119 -8.721 6.979 517 HD21 LEU 66 3HD2 LEU 66 -1.266 -9.394 8.820 518 HD22 LEU 66 1HD2 LEU 66 0.445 -9.429 9.245 519 HD23 LEU 66 2HD2 LEU 66 -0.550 -10.867 9.471 520 H PHE 67 H PHE 67 -2.192 -11.518 4.175 521 HA PHE 67 HA PHE 67 -1.754 -9.112 2.896 522 HB2 PHE 67 1HB PHE 67 -2.677 -11.758 1.788 523 HB3 PHE 67 2HB PHE 67 -2.251 -10.381 0.775 524 HD1 PHE 67 HD2 PHE 67 0.113 -9.357 1.170 525 HD2 PHE 67 HD1 PHE 67 -1.043 -13.266 2.418 526 HE1 PHE 67 HE2 PHE 67 2.477 -10.023 1.267 527 HE2 PHE 67 HE1 PHE 67 1.324 -13.933 2.522 528 HZ PHE 67 HZ PHE 67 3.084 -12.314 1.945 529 H ASN 68 H ASN 68 -4.811 -10.716 3.525 530 HA ASN 68 HA ASN 68 -6.458 -9.270 1.774 531 HB2 ASN 68 1HB ASN 68 -7.228 -11.233 3.043 532 HB3 ASN 68 2HB ASN 68 -7.059 -10.346 4.550 533 HD21 ASN 68 2HD2 ASN 68 -9.212 -10.681 5.069 534 HD22 ASN 68 1HD2 ASN 68 -10.498 -9.830 4.288 535 H MET 69 H MET 69 -5.550 -8.626 5.075 536 HA MET 69 HA MET 69 -6.735 -6.079 5.353 537 HB2 MET 69 1HB MET 69 -4.231 -7.091 6.707 538 HB3 MET 69 2HB MET 69 -5.099 -5.644 7.176 539 HG2 MET 69 1HG MET 69 -7.089 -7.066 7.638 540 HG3 MET 69 2HG MET 69 -6.087 -8.480 7.308 541 HE1 MET 69 3HE MET 69 -4.044 -9.236 8.795 542 HE2 MET 69 1HE MET 69 -3.428 -8.318 10.169 543 HE3 MET 69 2HE MET 69 -3.279 -7.667 8.539 544 H CYS 70 H CYS 70 -3.534 -6.946 4.070 545 HA CYS 70 HA CYS 70 -2.505 -4.330 3.987 546 HB2 CYS 70 1HB CYS 70 -1.747 -6.774 2.394 547 HB3 CYS 70 2HB CYS 70 -0.803 -5.292 2.469 548 HG CYS 70 HG CYS 70 -1.433 -7.450 5.048 549 H THR 71 H THR 71 -4.058 -6.266 1.401 550 HA THR 71 HA THR 71 -3.622 -4.330 -0.598 551 HB THR 71 HB THR 71 -4.125 -6.539 -1.338 552 HG1 THR 71 HG1 THR 71 -5.611 -4.413 -2.135 553 HG21 THR 71 3HG2 THR 71 -6.299 -7.608 -1.042 554 HG22 THR 71 1HG2 THR 71 -6.850 -6.241 -0.071 555 HG23 THR 71 2HG2 THR 71 -5.547 -7.279 0.515 556 H ASP 72 H ASP 72 -6.352 -4.756 1.589 557 HA ASP 72 HA ASP 72 -7.972 -2.688 0.506 558 HB2 ASP 72 1HB ASP 72 -8.932 -4.408 1.964 559 HB3 ASP 72 2HB ASP 72 -7.958 -3.832 3.314 560 H TRP 73 H TRP 73 -5.157 -2.563 2.173 561 HA TRP 73 HA TRP 73 -5.815 -0.292 3.926 562 HB2 TRP 73 1HB TRP 73 -4.255 -2.085 4.785 563 HB3 TRP 73 2HB TRP 73 -3.071 -1.524 3.608 564 HD1 TRP 73 HD1 TRP 73 -4.776 -0.495 6.867 565 HE1 TRP 73 HE1 TRP 73 -3.463 1.455 7.915 566 HE3 TRP 73 HE3 TRP 73 -1.533 0.441 3.053 567 HZ2 TRP 73 HZ2 TRP 73 -1.335 3.147 7.223 568 HZ3 TRP 73 HZ3 TRP 73 0.129 2.232 3.325 569 HH2 TRP 73 HH2 TRP 73 0.225 3.564 5.369 570 H LEU 74 H LEU 74 -3.888 -1.138 1.216 571 HA LEU 74 HA LEU 74 -2.806 1.502 0.726 572 HB2 LEU 74 1HB LEU 74 -2.916 -0.933 -1.047 573 HB3 LEU 74 2HB LEU 74 -2.236 0.587 -1.579 574 HG LEU 74 HG LEU 74 -1.192 -0.984 0.790 575 HD11 LEU 74 1HD1 LEU 74 0.657 -1.599 -0.694 576 HD12 LEU 74 2HD1 LEU 74 -0.168 -0.822 -2.046 577 HD13 LEU 74 3HD1 LEU 74 -0.877 -2.241 -1.276 578 HD21 LEU 74 3HD2 LEU 74 -0.709 1.382 0.944 579 HD22 LEU 74 1HD2 LEU 74 -0.128 1.401 -0.721 580 HD23 LEU 74 2HD2 LEU 74 0.758 0.508 0.512 581 H ASN 75 H ASN 75 -5.340 -0.390 -0.744 582 HA ASN 75 HA ASN 75 -6.228 1.501 -2.629 583 HB2 ASN 75 1HB ASN 75 -7.769 -0.709 -1.267 584 HB3 ASN 75 2HB ASN 75 -8.466 0.302 -2.529 585 HD21 ASN 75 2HD2 ASN 75 -8.129 -2.500 -2.656 586 HD22 ASN 75 1HD2 ASN 75 -7.037 -2.841 -3.949 587 H HIS 76 H HIS 76 -6.838 1.229 0.726 588 HA HIS 76 HA HIS 76 -9.056 2.841 1.051 589 HB2 HIS 76 1HB HIS 76 -8.575 1.790 3.003 590 HB3 HIS 76 2HB HIS 76 -6.845 1.837 2.722 591 HD1 HIS 76 HD1 HIS 76 -9.626 4.141 3.926 592 HD2 HIS 76 HD2 HIS 76 -5.507 3.597 4.300 593 HE1 HIS 76 HE1 HIS 76 -8.875 5.833 5.623 594 H MET 77 H MET 77 -5.643 3.829 0.782 595 HA MET 77 HA MET 77 -6.296 6.548 1.471 596 HB2 MET 77 1HB MET 77 -3.916 7.058 1.148 597 HB3 MET 77 2HB MET 77 -4.198 5.722 2.249 598 HG2 MET 77 1HG MET 77 -3.564 4.135 0.525 599 HG3 MET 77 2HG MET 77 -3.354 5.452 -0.630 600 HE1 MET 77 3HE MET 77 -2.106 3.801 2.677 601 HE2 MET 77 1HE MET 77 -2.361 5.463 3.204 602 HE3 MET 77 2HE MET 77 -0.728 4.809 3.109 603 H TYR 78 H TYR 78 -6.217 4.894 -1.539 604 HA TYR 78 HA TYR 78 -5.218 6.879 -3.243 605 HB2 TYR 78 1HB TYR 78 -7.141 4.637 -3.719 606 HB3 TYR 78 2HB TYR 78 -6.750 5.775 -4.996 607 HD1 TYR 78 HD1 TYR 78 -5.356 3.197 -2.763 608 HD2 TYR 78 HD2 TYR 78 -4.686 5.619 -6.187 609 HE1 TYR 78 HE1 TYR 78 -3.399 1.826 -3.350 610 HE2 TYR 78 HE2 TYR 78 -2.741 4.273 -6.775 611 HH TYR 78 HH TYR 78 -2.049 1.281 -5.225 612 H ASP 79 H ASP 79 -8.623 6.384 -2.267 613 HA ASP 79 HA ASP 79 -9.702 8.225 -4.105 614 HB2 ASP 79 1HB ASP 79 -10.949 6.450 -2.783 615 HB3 ASP 79 2HB ASP 79 -10.942 7.584 -1.435 616 H GLN 80 H GLN 80 -8.849 8.645 -0.749 617 HA GLN 80 HA GLN 80 -9.593 11.304 -0.397 618 HB2 GLN 80 1HB GLN 80 -7.278 9.857 0.884 619 HB3 GLN 80 2HB GLN 80 -7.825 11.450 1.383 620 HG2 GLN 80 1HG GLN 80 -8.856 10.050 2.895 621 HG3 GLN 80 2HG GLN 80 -10.118 10.326 1.695 622 HE21 GLN 80 2HE2 GLN 80 -7.901 8.067 3.045 623 HE22 GLN 80 1HE2 GLN 80 -8.555 6.651 2.278 624 H LEU 81 H LEU 81 -6.656 10.085 -1.906 625 HA LEU 81 HA LEU 81 -5.513 12.742 -2.097 626 HB2 LEU 81 1HB LEU 81 -4.606 10.133 -3.310 627 HB3 LEU 81 2HB LEU 81 -3.696 11.628 -3.338 628 HG LEU 81 HG LEU 81 -4.423 10.063 -0.859 629 HD11 LEU 81 1HD1 LEU 81 -1.774 10.422 -2.245 630 HD12 LEU 81 2HD1 LEU 81 -2.737 8.946 -2.211 631 HD13 LEU 81 3HD1 LEU 81 -2.041 9.576 -0.722 632 HD21 LEU 81 3HD2 LEU 81 -4.327 12.427 -0.366 633 HD22 LEU 81 1HD2 LEU 81 -2.786 12.573 -1.209 634 HD23 LEU 81 2HD2 LEU 81 -2.893 11.635 0.281 635 H LYS 82 H LYS 82 -7.833 11.195 -3.657 636 HA LYS 82 HA LYS 82 -7.214 12.159 -6.349 637 HB2 LYS 82 1HB LYS 82 -9.464 10.456 -5.349 638 HB3 LYS 82 2HB LYS 82 -9.518 11.195 -6.945 639 HG2 LYS 82 1HG LYS 82 -7.450 10.069 -7.545 640 HG3 LYS 82 2HG LYS 82 -7.374 9.343 -5.938 641 HD2 LYS 82 1HD LYS 82 -9.410 8.135 -6.340 642 HD3 LYS 82 2HD LYS 82 -9.629 8.954 -7.889 643 HE2 LYS 82 1HE LYS 82 -7.319 7.134 -7.191 644 HE3 LYS 82 2HE LYS 82 -8.720 6.677 -8.159 645 HZ1 LYS 82 3HZ LYS 82 -8.111 8.363 -9.774 646 HZ2 LYS 82 1HZ LYS 82 -6.848 7.268 -9.558 647 HZ3 LYS 82 2HZ LYS 82 -6.758 8.800 -8.860 648 H ASP 83 H ASP 83 -8.742 13.243 -3.613 649 HA ASP 83 HA ASP 83 -10.516 15.081 -4.945 650 HB2 ASP 83 1HB ASP 83 -9.871 14.483 -2.100 651 HB3 ASP 83 2HB ASP 83 -10.514 16.081 -2.472 652 H TRP 84 H TRP 84 -7.293 15.011 -4.827 653 HA TRP 84 HA TRP 84 -7.097 17.928 -4.842 654 HB2 TRP 84 1HB TRP 84 -5.031 15.954 -3.812 655 HB3 TRP 84 2HB TRP 84 -4.776 17.687 -3.991 656 HD1 TRP 84 HD1 TRP 84 -6.258 15.119 -1.648 657 HE1 TRP 84 HE1 TRP 84 -7.112 16.282 0.481 658 HE3 TRP 84 HE3 TRP 84 -5.841 19.985 -3.157 659 HZ2 TRP 84 HZ2 TRP 84 -7.547 18.909 1.406 660 HZ3 TRP 84 HZ3 TRP 84 -6.496 21.764 -1.586 661 HH2 TRP 84 HH2 TRP 84 -7.329 21.239 0.646 662 H LYS 85 H LYS 85 -7.415 17.895 -7.019 663 HA LYS 85 HA LYS 85 -7.215 17.226 -9.240 664 HB2 LYS 85 1HB LYS 85 -4.486 18.250 -8.496 665 HB3 LYS 85 2HB LYS 85 -4.985 17.948 -10.156 666 HG2 LYS 85 1HG LYS 85 -6.846 19.549 -9.833 667 HG3 LYS 85 2HG LYS 85 -6.205 19.905 -8.232 668 HD2 LYS 85 1HD LYS 85 -4.128 20.688 -9.206 669 HD3 LYS 85 2HD LYS 85 -4.704 20.270 -10.821 670 HE2 LYS 85 1HE LYS 85 -6.582 21.864 -10.490 671 HE3 LYS 85 2HE LYS 85 -5.862 22.332 -8.954 672 HZ1 LYS 85 3HZ LYS 85 -5.271 23.866 -10.704 673 HZ2 LYS 85 1HZ LYS 85 -4.600 22.614 -11.619 674 HZ3 LYS 85 2HZ LYS 85 -3.889 23.061 -10.154 Start of MODEL 5 1 HA MET 1 HA MET 1 10.880 -9.833 -6.334 2 HB2 MET 1 1HB MET 1 10.828 -8.483 -8.338 3 HB3 MET 1 2HB MET 1 11.445 -7.502 -7.025 4 HG2 MET 1 1HG MET 1 13.203 -8.864 -9.058 5 HG3 MET 1 2HG MET 1 12.605 -7.215 -9.225 6 HE1 MET 1 3HE MET 1 13.334 -5.199 -7.747 7 HE2 MET 1 1HE MET 1 14.386 -5.320 -6.339 8 HE3 MET 1 2HE MET 1 12.772 -6.024 -6.294 9 H GLY 2 H GLY 2 13.771 -11.165 -6.475 10 HA2 GLY 2 1HA GLY 2 13.960 -12.340 -9.033 11 HA3 GLY 2 2HA GLY 2 14.687 -12.968 -7.563 12 H ARG 3 H ARG 3 12.370 -13.452 -6.070 13 HA ARG 3 HA ARG 3 11.215 -15.666 -7.609 14 HB2 ARG 3 1HB ARG 3 11.734 -15.363 -4.658 15 HB3 ARG 3 2HB ARG 3 10.589 -16.550 -5.267 16 HG2 ARG 3 1HG ARG 3 12.617 -17.706 -4.942 17 HG3 ARG 3 2HG ARG 3 12.472 -17.465 -6.681 18 HD2 ARG 3 1HD ARG 3 14.734 -17.016 -6.009 19 HD3 ARG 3 2HD ARG 3 13.962 -15.505 -6.491 20 HE ARG 3 HE ARG 3 13.604 -15.676 -3.769 21 HH11 ARG 3 1HH2 ARG 3 16.366 -15.643 -5.926 22 HH12 ARG 3 2HH2 ARG 3 17.415 -14.878 -4.784 23 HH21 ARG 3 1HH1 ARG 3 14.965 -14.670 -2.261 24 HH22 ARG 3 2HH1 ARG 3 16.608 -14.316 -2.669 25 H LEU 4 H LEU 4 9.057 -15.945 -7.766 26 HA LEU 4 HA LEU 4 7.292 -14.080 -6.370 27 HB2 LEU 4 1HB LEU 4 6.033 -13.567 -8.395 28 HB3 LEU 4 2HB LEU 4 7.693 -13.037 -8.543 29 HG LEU 4 HG LEU 4 6.685 -15.602 -9.782 30 HD11 LEU 4 1HD1 LEU 4 6.881 -12.864 -11.032 31 HD12 LEU 4 2HD1 LEU 4 5.389 -13.716 -10.649 32 HD13 LEU 4 3HD1 LEU 4 6.478 -14.358 -11.876 33 HD21 LEU 4 3HD2 LEU 4 8.657 -15.329 -11.226 34 HD22 LEU 4 1HD2 LEU 4 9.110 -15.440 -9.527 35 HD23 LEU 4 2HD2 LEU 4 9.111 -13.876 -10.338 36 H TYR 5 H TYR 5 5.197 -14.850 -6.000 37 HA TYR 5 HA TYR 5 4.898 -17.738 -6.497 38 HB2 TYR 5 1HB TYR 5 3.689 -16.073 -4.279 39 HB3 TYR 5 2HB TYR 5 3.426 -17.794 -4.524 40 HD1 TYR 5 HD2 TYR 5 5.528 -19.306 -4.449 41 HD2 TYR 5 HD1 TYR 5 5.406 -15.343 -2.906 42 HE1 TYR 5 HE2 TYR 5 7.466 -19.810 -3.019 43 HE2 TYR 5 HE1 TYR 5 7.346 -15.836 -1.473 44 HH TYR 5 HH TYR 5 8.359 -17.898 -0.442 45 H SER 6 H SER 6 2.919 -18.564 -7.164 46 HA SER 6 HA SER 6 1.245 -16.725 -8.617 47 HB2 SER 6 1HB SER 6 0.042 -18.878 -9.252 48 HB3 SER 6 2HB SER 6 1.727 -18.763 -9.749 49 HG SER 6 HG SER 6 1.747 -20.666 -8.811 50 H GLY 7 H GLY 7 -0.917 -16.262 -8.198 51 HA2 GLY 7 1HA GLY 7 -2.969 -16.333 -7.092 52 HA3 GLY 7 2HA GLY 7 -2.334 -17.588 -6.043 53 H ASN 8 H ASN 8 -0.055 -16.044 -5.249 54 HA ASN 8 HA ASN 8 -1.381 -14.459 -3.162 55 HB2 ASN 8 1HB ASN 8 1.516 -15.281 -3.483 56 HB3 ASN 8 2HB ASN 8 0.926 -14.305 -2.146 57 HD21 ASN 8 2HD2 ASN 8 2.198 -16.882 -2.027 58 HD22 ASN 8 1HD2 ASN 8 1.072 -17.958 -1.286 59 H LEU 9 H LEU 9 -0.118 -13.960 -6.046 60 HA LEU 9 HA LEU 9 0.564 -11.158 -5.442 61 HB2 LEU 9 1HB LEU 9 2.085 -12.817 -7.430 62 HB3 LEU 9 2HB LEU 9 2.281 -11.085 -7.221 63 HG LEU 9 HG LEU 9 2.876 -13.204 -5.154 64 HD11 LEU 9 1HD1 LEU 9 4.686 -11.387 -6.722 65 HD12 LEU 9 2HD1 LEU 9 4.523 -13.133 -6.911 66 HD13 LEU 9 3HD1 LEU 9 5.187 -12.466 -5.420 67 HD21 LEU 9 3HD2 LEU 9 3.785 -11.320 -3.812 68 HD22 LEU 9 1HD2 LEU 9 2.039 -11.229 -4.028 69 HD23 LEU 9 2HD2 LEU 9 3.100 -10.196 -4.980 70 H ALA 10 H ALA 10 -1.594 -12.956 -7.051 71 HA ALA 10 HA ALA 10 -1.845 -11.751 -9.568 72 HB1 ALA 10 3HB ALA 10 -4.141 -12.583 -9.568 73 HB2 ALA 10 1HB ALA 10 -4.046 -12.858 -7.827 74 HB3 ALA 10 2HB ALA 10 -3.030 -13.797 -8.928 75 H ALA 11 H ALA 11 -3.530 -10.906 -6.549 76 HA ALA 11 HA ALA 11 -4.615 -8.499 -7.727 77 HB1 ALA 11 3HB ALA 11 -4.710 -9.463 -4.866 78 HB2 ALA 11 1HB ALA 11 -5.930 -9.793 -6.099 79 HB3 ALA 11 2HB ALA 11 -5.647 -8.143 -5.555 80 H PHE 12 H PHE 12 -2.083 -9.441 -5.571 81 HA PHE 12 HA PHE 12 -1.374 -6.999 -4.450 82 HB2 PHE 12 1HB PHE 12 -0.463 -9.358 -3.944 83 HB3 PHE 12 2HB PHE 12 0.675 -9.058 -5.250 84 HD1 PHE 12 HD2 PHE 12 2.341 -7.226 -5.038 85 HD2 PHE 12 HD1 PHE 12 -0.188 -8.378 -1.804 86 HE1 PHE 12 HE2 PHE 12 3.828 -6.061 -3.456 87 HE2 PHE 12 HE1 PHE 12 1.293 -7.218 -0.227 88 HZ PHE 12 HZ PHE 12 3.304 -6.058 -1.048 89 H LYS 13 H LYS 13 -0.032 -8.470 -7.484 90 HA LYS 13 HA LYS 13 1.596 -6.327 -8.128 91 HB2 LYS 13 1HB LYS 13 0.309 -8.400 -9.900 92 HB3 LYS 13 2HB LYS 13 1.517 -7.260 -10.461 93 HG2 LYS 13 1HG LYS 13 3.105 -8.169 -8.805 94 HG3 LYS 13 2HG LYS 13 1.886 -9.351 -8.322 95 HD2 LYS 13 1HD LYS 13 3.024 -9.085 -11.107 96 HD3 LYS 13 2HD LYS 13 3.575 -10.255 -9.911 97 HE2 LYS 13 1HE LYS 13 1.333 -11.248 -9.856 98 HE3 LYS 13 2HE LYS 13 0.786 -10.065 -11.040 99 HZ1 LYS 13 3HZ LYS 13 1.273 -12.018 -12.232 100 HZ2 LYS 13 1HZ LYS 13 2.748 -12.246 -11.437 101 HZ3 LYS 13 2HZ LYS 13 2.571 -10.979 -12.530 102 H ALA 14 H ALA 14 -1.829 -6.779 -8.731 103 HA ALA 14 HA ALA 14 -2.153 -4.801 -10.711 104 HB1 ALA 14 3HB ALA 14 -4.515 -4.858 -10.173 105 HB2 ALA 14 1HB ALA 14 -4.172 -5.653 -8.637 106 HB3 ALA 14 2HB ALA 14 -3.863 -6.495 -10.153 107 H ALA 15 H ALA 15 -2.050 -4.623 -7.201 108 HA ALA 15 HA ALA 15 -2.902 -1.946 -6.894 109 HB1 ALA 15 3HB ALA 15 -2.783 -3.544 -5.031 110 HB2 ALA 15 1HB ALA 15 -1.887 -2.068 -4.675 111 HB3 ALA 15 2HB ALA 15 -1.024 -3.536 -5.136 112 H THR 16 H THR 16 0.194 -3.382 -7.570 113 HA THR 16 HA THR 16 1.904 -1.205 -7.196 114 HB THR 16 HB THR 16 2.213 -3.277 -9.384 115 HG1 THR 16 HG1 THR 16 3.162 -3.533 -6.712 116 HG21 THR 16 3HG2 THR 16 3.870 -1.472 -9.445 117 HG22 THR 16 1HG2 THR 16 4.623 -2.977 -8.921 118 HG23 THR 16 2HG2 THR 16 4.231 -1.730 -7.739 119 H ASN 17 H ASN 17 -0.041 -2.112 -10.026 120 HA ASN 17 HA ASN 17 0.963 -0.157 -11.797 121 HB2 ASN 17 1HB ASN 17 -0.347 -2.095 -12.579 122 HB3 ASN 17 2HB ASN 17 -1.782 -1.447 -11.791 123 HD21 ASN 17 2HD2 ASN 17 -2.944 0.160 -12.791 124 HD22 ASN 17 1HD2 ASN 17 -2.571 0.765 -14.365 125 H LYS 18 H LYS 18 -1.340 0.010 -9.224 126 HA LYS 18 HA LYS 18 -2.673 2.411 -10.072 127 HB2 LYS 18 1HB LYS 18 -2.559 1.004 -7.406 128 HB3 LYS 18 2HB LYS 18 -3.505 2.457 -7.692 129 HG2 LYS 18 1HG LYS 18 -3.871 -0.174 -9.118 130 HG3 LYS 18 2HG LYS 18 -4.856 0.405 -7.770 131 HD2 LYS 18 1HD LYS 18 -5.516 2.356 -9.122 132 HD3 LYS 18 2HD LYS 18 -4.579 1.721 -10.475 133 HE2 LYS 18 1HE LYS 18 -6.001 -0.277 -10.514 134 HE3 LYS 18 2HE LYS 18 -6.926 0.352 -9.157 135 HZ1 LYS 18 3HZ LYS 18 -6.757 1.496 -11.887 136 HZ2 LYS 18 1HZ LYS 18 -7.494 2.287 -10.587 137 HZ3 LYS 18 2HZ LYS 18 -8.113 0.817 -11.144 138 H LEU 19 H LEU 19 0.089 1.605 -8.076 139 HA LEU 19 HA LEU 19 0.460 3.989 -6.677 140 HB2 LEU 19 1HB LEU 19 2.639 2.198 -7.742 141 HB3 LEU 19 2HB LEU 19 2.763 3.293 -6.389 142 HG LEU 19 HG LEU 19 1.087 0.778 -6.479 143 HD11 LEU 19 1HD1 LEU 19 3.476 0.318 -6.383 144 HD12 LEU 19 2HD1 LEU 19 2.693 -0.075 -4.854 145 HD13 LEU 19 3HD1 LEU 19 3.634 1.406 -5.004 146 HD21 LEU 19 3HD2 LEU 19 1.569 2.738 -4.232 147 HD22 LEU 19 1HD2 LEU 19 0.762 1.179 -4.071 148 HD23 LEU 19 2HD2 LEU 19 0.044 2.443 -5.063 149 H PHE 20 H PHE 20 1.310 3.113 -9.948 150 HA PHE 20 HA PHE 20 3.103 5.177 -10.588 151 HB2 PHE 20 1HB PHE 20 2.657 3.135 -11.968 152 HB3 PHE 20 2HB PHE 20 1.113 3.831 -12.433 153 HD1 PHE 20 HD1 PHE 20 4.761 4.086 -12.795 154 HD2 PHE 20 HD2 PHE 20 0.989 5.585 -14.078 155 HE1 PHE 20 HE1 PHE 20 5.849 5.207 -14.696 156 HE2 PHE 20 HE2 PHE 20 2.077 6.706 -15.974 157 HZ PHE 20 HZ PHE 20 4.507 6.517 -16.287 158 H GLN 21 H GLN 21 -0.401 5.106 -10.447 159 HA GLN 21 HA GLN 21 -0.770 7.579 -11.854 160 HB2 GLN 21 1HB GLN 21 -2.656 5.902 -10.204 161 HB3 GLN 21 2HB GLN 21 -3.135 7.353 -11.061 162 HG2 GLN 21 1HG GLN 21 -1.976 4.893 -12.332 163 HG3 GLN 21 2HG GLN 21 -3.691 5.302 -12.281 164 HE21 GLN 21 2HE2 GLN 21 -0.627 5.994 -13.713 165 HE22 GLN 21 1HE2 GLN 21 -1.200 7.042 -14.957 166 H LEU 22 H LEU 22 0.161 6.842 -8.686 167 HA LEU 22 HA LEU 22 -0.826 9.450 -7.751 168 HB2 LEU 22 1HB LEU 22 -0.494 6.863 -6.303 169 HB3 LEU 22 2HB LEU 22 -0.323 8.358 -5.410 170 HG LEU 22 HG LEU 22 -2.545 7.538 -5.118 171 HD11 LEU 22 1HD1 LEU 22 -3.850 9.389 -5.810 172 HD12 LEU 22 2HD1 LEU 22 -2.748 9.752 -7.136 173 HD13 LEU 22 3HD1 LEU 22 -2.220 9.984 -5.465 174 HD21 LEU 22 3HD2 LEU 22 -2.658 6.064 -7.059 175 HD22 LEU 22 1HD2 LEU 22 -2.768 7.462 -8.124 176 HD23 LEU 22 2HD2 LEU 22 -4.068 7.119 -6.989 177 H ASP 23 H ASP 23 1.867 7.880 -8.747 178 HA ASP 23 HA ASP 23 4.126 8.338 -8.701 179 HB2 ASP 23 1HB ASP 23 2.916 10.993 -8.065 180 HB3 ASP 23 2HB ASP 23 4.650 10.803 -7.830 181 H LEU 24 H LEU 24 3.669 6.746 -6.776 182 HA LEU 24 HA LEU 24 5.307 7.685 -4.603 183 HB2 LEU 24 1HB LEU 24 3.692 6.875 -2.839 184 HB3 LEU 24 2HB LEU 24 3.237 8.344 -3.675 185 HG LEU 24 HG LEU 24 1.664 6.982 -5.079 186 HD11 LEU 24 1HD1 LEU 24 0.985 4.798 -4.253 187 HD12 LEU 24 2HD1 LEU 24 2.275 4.841 -3.051 188 HD13 LEU 24 3HD1 LEU 24 2.673 4.791 -4.767 189 HD21 LEU 24 3HD2 LEU 24 -0.036 6.837 -3.339 190 HD22 LEU 24 1HD2 LEU 24 0.913 8.314 -3.183 191 HD23 LEU 24 2HD2 LEU 24 1.211 6.954 -2.097 192 H ALA 25 H ALA 25 5.636 5.772 -2.931 193 HA ALA 25 HA ALA 25 5.499 3.144 -4.136 194 HB1 ALA 25 3HB ALA 25 8.194 4.367 -3.507 195 HB2 ALA 25 1HB ALA 25 7.558 4.080 -5.129 196 HB3 ALA 25 2HB ALA 25 7.894 2.717 -4.059 197 H VAL 26 H VAL 26 5.870 1.432 -2.589 198 HA VAL 26 HA VAL 26 5.949 2.372 0.187 199 HB VAL 26 HB VAL 26 3.785 1.441 -0.287 200 HG11 VAL 26 1HG1 VAL 26 5.214 -0.972 -1.404 201 HG12 VAL 26 2HG1 VAL 26 4.310 0.228 -2.328 202 HG13 VAL 26 3HG1 VAL 26 3.468 -0.827 -1.193 203 HG21 VAL 26 3HG2 VAL 26 5.441 -0.648 1.150 204 HG22 VAL 26 1HG2 VAL 26 3.687 -0.477 1.242 205 HG23 VAL 26 2HG2 VAL 26 4.732 0.795 1.880 206 H ILE 27 H ILE 27 7.540 1.675 1.451 207 HA ILE 27 HA ILE 27 9.136 -0.613 0.559 208 HB ILE 27 HB ILE 27 10.916 0.242 2.084 209 HG12 ILE 27 1HG1 ILE 27 9.117 2.664 2.346 210 HG13 ILE 27 2HG1 ILE 27 9.441 1.499 3.626 211 HG21 ILE 27 1HG2 ILE 27 9.963 2.204 0.000 212 HG22 ILE 27 2HG2 ILE 27 10.948 0.771 -0.293 213 HG23 ILE 27 3HG2 ILE 27 11.599 2.106 0.657 214 HD11 ILE 27 3HD1 ILE 27 10.764 3.530 3.900 215 HD12 ILE 27 1HD1 ILE 27 11.482 3.280 2.309 216 HD13 ILE 27 2HD1 ILE 27 11.799 2.129 3.609 217 H TYR 28 H TYR 28 9.466 -2.371 1.849 218 HA TYR 28 HA TYR 28 7.795 -2.488 4.260 219 HB2 TYR 28 1HB TYR 28 7.715 -4.936 3.906 220 HB3 TYR 28 2HB TYR 28 7.076 -4.043 2.536 221 HD1 TYR 28 HD2 TYR 28 8.311 -3.984 0.405 222 HD2 TYR 28 HD1 TYR 28 9.732 -6.269 3.707 223 HE1 TYR 28 HE2 TYR 28 9.825 -5.206 -1.097 224 HE2 TYR 28 HE1 TYR 28 11.243 -7.494 2.215 225 HH TYR 28 HH TYR 28 11.929 -6.477 -0.955 226 H ASP 29 H ASP 29 8.503 -3.476 6.122 227 HA ASP 29 HA ASP 29 11.397 -4.012 6.357 228 HB2 ASP 29 1HB ASP 29 10.888 -1.757 7.235 229 HB3 ASP 29 2HB ASP 29 9.658 -2.438 8.286 230 H ASP 30 H ASP 30 11.753 -5.993 7.256 231 HA ASP 30 HA ASP 30 9.848 -6.998 9.208 232 HB2 ASP 30 1HB ASP 30 9.537 -9.165 8.110 233 HB3 ASP 30 2HB ASP 30 8.933 -7.859 7.099 234 H TRP 31 H TRP 31 11.003 -7.456 10.866 235 HA TRP 31 HA TRP 31 12.582 -9.649 11.220 236 HB2 TRP 31 1HB TRP 31 14.891 -8.784 11.475 237 HB3 TRP 31 2HB TRP 31 14.349 -8.663 9.815 238 HD1 TRP 31 HD1 TRP 31 14.680 -6.348 12.918 239 HE1 TRP 31 HE1 TRP 31 15.365 -4.003 12.111 240 HE3 TRP 31 HE3 TRP 31 14.614 -7.170 7.863 241 HZ2 TRP 31 HZ2 TRP 31 15.823 -2.683 9.675 242 HZ3 TRP 31 HZ3 TRP 31 15.199 -5.305 6.366 243 HH2 TRP 31 HH2 TRP 31 15.791 -3.111 7.255 244 H TYR 32 H TYR 32 10.640 -7.760 12.416 245 HA TYR 32 HA TYR 32 12.031 -6.946 14.858 246 HB2 TYR 32 1HB TYR 32 10.827 -5.181 13.659 247 HB3 TYR 32 2HB TYR 32 9.344 -6.115 13.756 248 HD1 TYR 32 HD1 TYR 32 11.862 -4.320 15.800 249 HD2 TYR 32 HD2 TYR 32 7.933 -5.939 15.632 250 HE1 TYR 32 HE1 TYR 32 11.311 -3.186 17.912 251 HE2 TYR 32 HE2 TYR 32 7.370 -4.814 17.743 252 HH TYR 32 HH TYR 32 9.257 -2.366 19.061 253 H ASP 33 H ASP 33 11.831 -8.118 16.604 254 HA ASP 33 HA ASP 33 11.113 -9.547 18.205 255 HB2 ASP 33 1HB ASP 33 9.188 -7.907 18.265 256 HB3 ASP 33 2HB ASP 33 8.300 -9.020 17.228 257 H ALA 34 H ALA 34 11.823 -11.523 17.734 258 HA ALA 34 HA ALA 34 9.981 -13.489 16.856 259 HB1 ALA 34 3HB ALA 34 10.536 -12.585 14.649 260 HB2 ALA 34 1HB ALA 34 11.123 -14.236 14.834 261 HB3 ALA 34 2HB ALA 34 12.247 -12.883 14.951 262 H TYR 35 H TYR 35 10.652 -14.304 18.916 263 HA TYR 35 HA TYR 35 13.321 -14.974 19.461 264 HB2 TYR 35 1HB TYR 35 11.619 -14.856 21.224 265 HB3 TYR 35 2HB TYR 35 10.807 -16.266 20.552 266 HD1 TYR 35 HD1 TYR 35 14.184 -15.254 21.786 267 HD2 TYR 35 HD2 TYR 35 11.263 -18.325 21.504 268 HE1 TYR 35 HE1 TYR 35 15.596 -16.710 23.173 269 HE2 TYR 35 HE2 TYR 35 12.666 -19.795 22.886 270 HH TYR 35 HH TYR 35 14.845 -20.083 23.639 271 H THR 36 H THR 36 10.702 -17.390 18.668 272 HA THR 36 HA THR 36 12.777 -18.849 17.241 273 HB THR 36 HB THR 36 11.223 -20.845 17.728 274 HG1 THR 36 HG1 THR 36 9.437 -20.062 18.640 275 HG21 THR 36 3HG2 THR 36 12.700 -19.527 20.014 276 HG22 THR 36 1HG2 THR 36 13.440 -20.530 18.763 277 HG23 THR 36 2HG2 THR 36 12.290 -21.240 19.899 278 H ARG 37 H ARG 37 9.974 -17.053 16.891 279 HA ARG 37 HA ARG 37 8.936 -18.622 14.645 280 HB2 ARG 37 1HB ARG 37 6.927 -17.448 14.839 281 HB3 ARG 37 2HB ARG 37 7.473 -17.521 16.506 282 HG2 ARG 37 1HG ARG 37 8.340 -15.231 16.319 283 HG3 ARG 37 2HG ARG 37 7.783 -15.164 14.650 284 HD2 ARG 37 1HD ARG 37 5.457 -15.616 15.521 285 HD3 ARG 37 2HD ARG 37 6.102 -15.378 17.144 286 HE ARG 37 HE ARG 37 5.630 -13.348 15.129 287 HH11 ARG 37 1HH2 ARG 37 7.133 -14.073 18.229 288 HH12 ARG 37 2HH2 ARG 37 7.356 -12.394 18.626 289 HH21 ARG 37 1HH1 ARG 37 5.906 -11.162 15.703 290 HH22 ARG 37 2HH1 ARG 37 6.667 -10.764 17.210 291 H LYS 38 H LYS 38 7.932 -16.892 12.910 292 HA LYS 38 HA LYS 38 9.810 -14.762 12.292 293 HB2 LYS 38 1HB LYS 38 10.718 -16.831 11.178 294 HB3 LYS 38 2HB LYS 38 9.209 -16.952 10.282 295 HG2 LYS 38 1HG LYS 38 9.644 -14.771 9.257 296 HG3 LYS 38 2HG LYS 38 11.169 -14.667 10.133 297 HD2 LYS 38 1HD LYS 38 11.944 -16.698 9.000 298 HD3 LYS 38 2HD LYS 38 10.431 -16.779 8.104 299 HE2 LYS 38 1HE LYS 38 10.915 -14.553 7.152 300 HE3 LYS 38 2HE LYS 38 12.461 -14.551 7.990 301 HZ1 LYS 38 3HZ LYS 38 11.601 -16.463 5.897 302 HZ2 LYS 38 1HZ LYS 38 13.070 -16.545 6.731 303 HZ3 LYS 38 2HZ LYS 38 12.736 -15.232 5.718 304 H ASP 39 H ASP 39 7.677 -13.781 12.996 305 HA ASP 39 HA ASP 39 5.916 -13.464 10.669 306 HB2 ASP 39 1HB ASP 39 4.889 -14.023 13.464 307 HB3 ASP 39 2HB ASP 39 3.903 -13.684 12.047 308 H CYS 40 H CYS 40 6.519 -11.370 10.294 309 HA CYS 40 HA CYS 40 5.257 -9.330 11.737 310 HB2 CYS 40 1HB CYS 40 7.374 -8.137 12.526 311 HB3 CYS 40 2HB CYS 40 6.859 -9.535 13.465 312 HG CYS 40 HG CYS 40 9.452 -9.942 13.529 313 H ILE 41 H ILE 41 4.824 -7.816 10.226 314 HA ILE 41 HA ILE 41 6.862 -7.162 8.216 315 HB ILE 41 HB ILE 41 3.996 -7.901 7.515 316 HG12 ILE 41 1HG1 ILE 41 6.588 -9.207 6.658 317 HG13 ILE 41 2HG1 ILE 41 5.555 -9.812 7.943 318 HG21 ILE 41 1HG2 ILE 41 6.220 -6.882 5.745 319 HG22 ILE 41 2HG2 ILE 41 4.735 -6.027 6.160 320 HG23 ILE 41 3HG2 ILE 41 4.664 -7.491 5.179 321 HD11 ILE 41 3HD1 ILE 41 5.188 -11.048 5.899 322 HD12 ILE 41 1HD1 ILE 41 4.821 -9.554 5.035 323 HD13 ILE 41 2HD1 ILE 41 3.744 -10.120 6.314 324 H ARG 42 H ARG 42 7.090 -4.937 8.154 325 HA ARG 42 HA ARG 42 4.778 -3.309 8.943 326 HB2 ARG 42 1HB ARG 42 6.746 -3.145 10.389 327 HB3 ARG 42 2HB ARG 42 7.746 -2.729 9.007 328 HG2 ARG 42 1HG ARG 42 6.447 -0.658 8.727 329 HG3 ARG 42 2HG ARG 42 5.506 -1.084 10.160 330 HD2 ARG 42 1HD ARG 42 8.504 -0.722 10.121 331 HD3 ARG 42 2HD ARG 42 7.357 0.523 10.608 332 HE ARG 42 HE ARG 42 6.624 -1.204 12.331 333 HH11 ARG 42 1HH2 ARG 42 9.947 -0.956 11.159 334 HH12 ARG 42 2HH2 ARG 42 10.642 -1.529 12.626 335 HH21 ARG 42 1HH1 ARG 42 7.582 -1.958 14.305 336 HH22 ARG 42 2HH1 ARG 42 9.305 -2.069 14.418 337 H LEU 43 H LEU 43 3.964 -1.810 7.565 338 HA LEU 43 HA LEU 43 5.235 -1.455 4.912 339 HB2 LEU 43 1HB LEU 43 2.407 -1.346 5.895 340 HB3 LEU 43 2HB LEU 43 2.842 -0.376 4.516 341 HG LEU 43 HG LEU 43 3.324 -2.343 3.198 342 HD11 LEU 43 1HD1 LEU 43 3.048 -4.603 4.089 343 HD12 LEU 43 2HD1 LEU 43 2.756 -3.942 5.698 344 HD13 LEU 43 3HD1 LEU 43 4.335 -3.743 4.936 345 HD21 LEU 43 3HD2 LEU 43 1.017 -1.635 3.338 346 HD22 LEU 43 1HD2 LEU 43 0.771 -2.666 4.744 347 HD23 LEU 43 2HD2 LEU 43 1.127 -3.387 3.175 348 H ARG 44 H ARG 44 6.586 0.370 5.057 349 HA ARG 44 HA ARG 44 5.420 2.777 6.216 350 HB2 ARG 44 1HB ARG 44 7.624 2.213 7.010 351 HB3 ARG 44 2HB ARG 44 8.222 2.035 5.369 352 HG2 ARG 44 1HG ARG 44 7.961 4.445 5.002 353 HG3 ARG 44 2HG ARG 44 7.332 4.626 6.637 354 HD2 ARG 44 1HD ARG 44 9.437 3.876 7.575 355 HD3 ARG 44 2HD ARG 44 10.071 3.543 5.970 356 HE ARG 44 HE ARG 44 9.993 5.960 5.558 357 HH11 ARG 44 1HH2 ARG 44 9.945 4.896 8.918 358 HH12 ARG 44 2HH2 ARG 44 10.537 6.403 9.520 359 HH21 ARG 44 1HH1 ARG 44 10.804 7.934 6.359 360 HH22 ARG 44 2HH1 ARG 44 11.036 8.136 8.067 361 H ILE 45 H ILE 45 4.614 4.331 4.995 362 HA ILE 45 HA ILE 45 5.205 4.396 2.111 363 HB ILE 45 HB ILE 45 3.000 5.823 3.633 364 HG12 ILE 45 1HG1 ILE 45 2.695 3.381 3.775 365 HG13 ILE 45 2HG1 ILE 45 1.459 4.129 2.776 366 HG21 ILE 45 1HG2 ILE 45 3.365 5.337 0.677 367 HG22 ILE 45 2HG2 ILE 45 3.624 6.870 1.511 368 HG23 ILE 45 3HG2 ILE 45 2.005 6.171 1.433 369 HD11 ILE 45 3HD1 ILE 45 2.582 3.379 0.777 370 HD12 ILE 45 1HD1 ILE 45 2.282 2.018 1.857 371 HD13 ILE 45 2HD1 ILE 45 3.900 2.716 1.743 372 H GLU 46 H GLU 46 6.529 6.163 1.356 373 HA GLU 46 HA GLU 46 6.616 8.511 3.036 374 HB2 GLU 46 1HB GLU 46 8.476 6.974 3.663 375 HB3 GLU 46 2HB GLU 46 9.010 6.986 1.994 376 HG2 GLU 46 1HG GLU 46 9.454 9.385 2.161 377 HG3 GLU 46 2HG GLU 46 8.934 9.353 3.849 378 H ASP 47 H ASP 47 7.031 10.358 1.829 379 HA ASP 47 HA ASP 47 6.437 10.211 -0.972 380 HB2 ASP 47 1HB ASP 47 5.565 12.070 0.366 381 HB3 ASP 47 2HB ASP 47 7.202 12.584 0.732 382 H ARG 48 H ARG 48 7.645 11.029 -2.609 383 HA ARG 48 HA ARG 48 10.209 10.077 -2.899 384 HB2 ARG 48 1HB ARG 48 10.203 11.277 -5.010 385 HB3 ARG 48 2HB ARG 48 8.638 10.527 -4.713 386 HG2 ARG 48 1HG ARG 48 7.972 12.825 -3.746 387 HG3 ARG 48 2HG ARG 48 9.384 13.420 -4.620 388 HD2 ARG 48 1HD ARG 48 7.059 11.919 -5.786 389 HD3 ARG 48 2HD ARG 48 7.353 13.649 -5.932 390 HE ARG 48 HE ARG 48 9.608 12.600 -6.967 391 HH11 ARG 48 1HH2 ARG 48 6.222 11.973 -7.570 392 HH12 ARG 48 2HH2 ARG 48 6.435 11.478 -9.216 393 HH21 ARG 48 1HH1 ARG 48 9.948 11.949 -9.131 394 HH22 ARG 48 2HH1 ARG 48 8.601 11.474 -10.114 395 H SER 49 H SER 49 9.211 13.352 -1.707 396 HA SER 49 HA SER 49 11.929 14.302 -1.982 397 HB2 SER 49 1HB SER 49 9.910 15.684 -2.592 398 HB3 SER 49 2HB SER 49 9.479 15.706 -0.884 399 HG SER 49 HG SER 49 12.066 16.494 -1.622 400 H GLY 50 H GLY 50 11.118 12.157 -0.051 401 HA2 GLY 50 1HA GLY 50 11.792 11.505 2.074 402 HA3 GLY 50 2HA GLY 50 12.699 13.002 2.156 403 H ASN 51 H ASN 51 9.239 12.157 2.090 404 HA ASN 51 HA ASN 51 8.917 13.491 4.683 405 HB2 ASN 51 1HB ASN 51 8.226 15.111 2.950 406 HB3 ASN 51 2HB ASN 51 7.119 13.926 2.268 407 HD21 ASN 51 2HD2 ASN 51 5.304 15.135 2.601 408 HD22 ASN 51 1HD2 ASN 51 4.643 15.471 4.159 409 H LEU 52 H LEU 52 7.505 12.382 6.041 410 HA LEU 52 HA LEU 52 6.843 9.726 5.216 411 HB2 LEU 52 1HB LEU 52 6.118 9.348 7.444 412 HB3 LEU 52 2HB LEU 52 7.566 10.325 7.536 413 HG LEU 52 HG LEU 52 4.798 11.508 7.771 414 HD11 LEU 52 1HD1 LEU 52 5.172 11.498 10.200 415 HD12 LEU 52 2HD1 LEU 52 6.618 10.518 9.954 416 HD13 LEU 52 3HD1 LEU 52 5.034 9.877 9.526 417 HD21 LEU 52 3HD2 LEU 52 7.553 12.510 8.507 418 HD22 LEU 52 1HD2 LEU 52 6.046 13.320 8.939 419 HD23 LEU 52 2HD2 LEU 52 6.493 13.141 7.248 420 H ILE 53 H ILE 53 4.682 8.785 5.121 421 HA ILE 53 HA ILE 53 2.649 10.787 4.500 422 HB ILE 53 HB ILE 53 3.056 8.050 3.276 423 HG12 ILE 53 1HG1 ILE 53 4.569 9.763 2.371 424 HG13 ILE 53 2HG1 ILE 53 3.393 9.255 1.162 425 HG21 ILE 53 1HG2 ILE 53 0.844 10.046 2.780 426 HG22 ILE 53 2HG2 ILE 53 0.683 8.489 3.595 427 HG23 ILE 53 3HG2 ILE 53 1.098 8.547 1.881 428 HD11 ILE 53 3HD1 ILE 53 3.723 11.642 1.066 429 HD12 ILE 53 1HD1 ILE 53 3.327 11.801 2.778 430 HD13 ILE 53 2HD1 ILE 53 2.091 11.296 1.627 431 H ASP 54 H ASP 54 3.402 7.584 5.766 432 HA ASP 54 HA ASP 54 1.757 7.737 8.001 433 HB2 ASP 54 1HB ASP 54 -0.056 7.522 6.196 434 HB3 ASP 54 2HB ASP 54 0.542 5.891 5.922 435 H THR 55 H THR 55 1.399 5.316 8.877 436 HA THR 55 HA THR 55 3.531 3.555 8.076 437 HB THR 55 HB THR 55 4.286 3.411 10.573 438 HG1 THR 55 HG1 THR 55 2.753 5.700 10.541 439 HG21 THR 55 3HG2 THR 55 5.141 5.766 8.885 440 HG22 THR 55 1HG2 THR 55 5.760 4.118 8.735 441 HG23 THR 55 2HG2 THR 55 6.064 5.046 10.207 442 H SER 56 H SER 56 3.152 1.447 8.733 443 HA SER 56 HA SER 56 1.063 0.889 10.663 444 HB2 SER 56 1HB SER 56 0.804 -0.017 7.780 445 HB3 SER 56 2HB SER 56 -0.212 -0.572 9.109 446 HG SER 56 HG SER 56 -0.111 2.128 9.040 447 H THR 57 H THR 57 1.221 -1.153 11.583 448 HA THR 57 HA THR 57 3.396 -2.865 10.604 449 HB THR 57 HB THR 57 2.898 -2.203 13.524 450 HG1 THR 57 HG1 THR 57 4.099 -0.524 12.982 451 HG21 THR 57 3HG2 THR 57 5.058 -3.870 12.214 452 HG22 THR 57 1HG2 THR 57 3.717 -4.486 13.177 453 HG23 THR 57 2HG2 THR 57 4.951 -3.482 13.929 454 H PHE 58 H PHE 58 2.905 -4.936 10.492 455 HA PHE 58 HA PHE 58 0.421 -5.901 11.783 456 HB2 PHE 58 1HB PHE 58 1.274 -6.509 8.939 457 HB3 PHE 58 2HB PHE 58 -0.109 -7.221 9.763 458 HD1 PHE 58 HD2 PHE 58 -2.029 -5.770 10.410 459 HD2 PHE 58 HD1 PHE 58 1.135 -4.379 7.930 460 HE1 PHE 58 HE2 PHE 58 -3.445 -3.905 9.658 461 HE2 PHE 58 HE1 PHE 58 -0.275 -2.508 7.171 462 HZ PHE 58 HZ PHE 58 -2.567 -2.270 8.034 463 H TYR 59 H TYR 59 0.828 -7.612 13.090 464 HA TYR 59 HA TYR 59 2.594 -9.658 12.118 465 HB2 TYR 59 1HB TYR 59 4.056 -9.677 14.150 466 HB3 TYR 59 2HB TYR 59 4.258 -8.256 13.140 467 HD1 TYR 59 HD2 TYR 59 2.866 -6.144 13.888 468 HD2 TYR 59 HD1 TYR 59 3.816 -9.404 16.448 469 HE1 TYR 59 HE2 TYR 59 2.530 -4.697 15.844 470 HE2 TYR 59 HE1 TYR 59 3.483 -7.965 18.410 471 HH TYR 59 HH TYR 59 1.953 -4.981 18.264 472 H HIS 60 H HIS 60 1.510 -11.336 12.266 473 HA HIS 60 HA HIS 60 0.902 -12.635 14.663 474 HB2 HIS 60 1HB HIS 60 -1.537 -12.837 14.488 475 HB3 HIS 60 2HB HIS 60 -1.111 -11.143 14.645 476 HD1 HIS 60 HD1 HIS 60 -1.910 -9.590 12.815 477 HD2 HIS 60 HD2 HIS 60 -2.438 -13.595 11.872 478 HE1 HIS 60 HE1 HIS 60 -3.319 -9.629 10.749 479 H HIS 61 H HIS 61 0.238 -14.885 14.141 480 HA HIS 61 HA HIS 61 1.397 -15.474 11.546 481 HB2 HIS 61 1HB HIS 61 2.225 -16.694 13.504 482 HB3 HIS 61 2HB HIS 61 0.615 -17.357 13.775 483 HD1 HIS 61 HD1 HIS 61 3.400 -17.450 11.204 484 HD2 HIS 61 HD2 HIS 61 0.111 -19.678 12.436 485 HE1 HIS 61 HE1 HIS 61 3.519 -19.605 9.917 486 H ASP 62 H ASP 62 -0.440 -14.668 10.344 487 HA ASP 62 HA ASP 62 -2.055 -16.970 9.634 488 HB2 ASP 62 1HB ASP 62 -3.480 -15.422 11.083 489 HB3 ASP 62 2HB ASP 62 -3.397 -14.282 9.735 490 H GLU 63 H GLU 63 -1.185 -17.342 7.753 491 HA GLU 63 HA GLU 63 0.032 -15.544 6.094 492 HB2 GLU 63 1HB GLU 63 -0.145 -17.263 4.311 493 HB3 GLU 63 2HB GLU 63 0.462 -17.871 5.841 494 HG2 GLU 63 1HG GLU 63 -2.412 -18.165 5.008 495 HG3 GLU 63 2HG GLU 63 -1.169 -19.339 4.590 496 H ASP 64 H ASP 64 -3.397 -16.604 5.766 497 HA ASP 64 HA ASP 64 -3.578 -15.026 3.366 498 HB2 ASP 64 1HB ASP 64 -5.714 -15.877 2.971 499 HB3 ASP 64 2HB ASP 64 -4.889 -17.195 3.779 500 H VAL 65 H VAL 65 -4.598 -14.579 6.704 501 HA VAL 65 HA VAL 65 -6.202 -12.307 6.189 502 HB VAL 65 HB VAL 65 -4.873 -13.248 8.742 503 HG11 VAL 65 1HG1 VAL 65 -5.089 -10.832 8.913 504 HG12 VAL 65 2HG1 VAL 65 -6.306 -11.613 9.926 505 HG13 VAL 65 3HG1 VAL 65 -6.763 -10.921 8.370 506 HG21 VAL 65 3HG2 VAL 65 -7.160 -13.828 9.376 507 HG22 VAL 65 1HG2 VAL 65 -6.698 -14.630 7.878 508 HG23 VAL 65 2HG2 VAL 65 -7.749 -13.219 7.832 509 H LEU 66 H LEU 66 -2.746 -12.618 6.954 510 HA LEU 66 HA LEU 66 -2.196 -9.911 7.418 511 HB2 LEU 66 1HB LEU 66 -0.543 -12.200 6.448 512 HB3 LEU 66 2HB LEU 66 0.134 -10.587 6.428 513 HG LEU 66 HG LEU 66 -0.921 -11.923 8.934 514 HD11 LEU 66 1HD1 LEU 66 1.889 -11.701 7.876 515 HD12 LEU 66 2HD1 LEU 66 0.954 -13.189 8.077 516 HD13 LEU 66 3HD1 LEU 66 1.442 -12.252 9.491 517 HD21 LEU 66 3HD2 LEU 66 0.835 -9.507 8.544 518 HD22 LEU 66 1HD2 LEU 66 0.261 -10.157 10.077 519 HD23 LEU 66 2HD2 LEU 66 -0.883 -9.445 8.936 520 H PHE 67 H PHE 67 -1.789 -11.669 4.281 521 HA PHE 67 HA PHE 67 -1.157 -9.351 2.862 522 HB2 PHE 67 1HB PHE 67 -2.268 -11.970 1.833 523 HB3 PHE 67 2HB PHE 67 -1.696 -10.672 0.795 524 HD1 PHE 67 HD2 PHE 67 0.730 -9.904 1.073 525 HD2 PHE 67 HD1 PHE 67 -0.780 -13.552 2.671 526 HE1 PHE 67 HE2 PHE 67 3.025 -10.784 1.227 527 HE2 PHE 67 HE1 PHE 67 1.518 -14.433 2.832 528 HZ PHE 67 HZ PHE 67 3.422 -13.050 2.108 529 H ASN 68 H ASN 68 -4.323 -10.736 3.570 530 HA ASN 68 HA ASN 68 -5.883 -9.313 1.745 531 HB2 ASN 68 1HB ASN 68 -6.777 -11.118 3.145 532 HB3 ASN 68 2HB ASN 68 -6.529 -10.144 4.585 533 HD21 ASN 68 2HD2 ASN 68 -8.495 -10.675 1.791 534 HD22 ASN 68 1HD2 ASN 68 -9.797 -9.642 2.255 535 H MET 69 H MET 69 -5.152 -8.491 5.068 536 HA MET 69 HA MET 69 -6.193 -5.889 5.089 537 HB2 MET 69 1HB MET 69 -3.875 -6.945 6.689 538 HB3 MET 69 2HB MET 69 -4.639 -5.391 6.977 539 HG2 MET 69 1HG MET 69 -6.776 -6.590 7.372 540 HG3 MET 69 2HG MET 69 -5.891 -8.113 7.244 541 HE1 MET 69 3HE MET 69 -4.046 -8.915 9.014 542 HE2 MET 69 1HE MET 69 -3.413 -7.844 10.264 543 HE3 MET 69 2HE MET 69 -3.149 -7.464 8.565 544 H CYS 70 H CYS 70 -3.060 -6.964 4.027 545 HA CYS 70 HA CYS 70 -1.799 -4.448 3.895 546 HB2 CYS 70 1HB CYS 70 -1.280 -6.945 2.283 547 HB3 CYS 70 2HB CYS 70 -0.220 -5.541 2.304 548 HG CYS 70 HG CYS 70 -0.948 -7.531 4.995 549 H THR 71 H THR 71 -3.503 -6.275 1.330 550 HA THR 71 HA THR 71 -3.078 -4.216 -0.600 551 HB THR 71 HB THR 71 -3.324 -6.522 -1.347 552 HG1 THR 71 HG1 THR 71 -5.490 -4.913 -2.279 553 HG21 THR 71 3HG2 THR 71 -4.942 -7.329 0.301 554 HG22 THR 71 1HG2 THR 71 -5.513 -7.653 -1.337 555 HG23 THR 71 2HG2 THR 71 -6.194 -6.316 -0.414 556 H ASP 72 H ASP 72 -5.766 -5.023 1.536 557 HA ASP 72 HA ASP 72 -7.685 -3.294 0.378 558 HB2 ASP 72 1HB ASP 72 -8.341 -5.111 1.869 559 HB3 ASP 72 2HB ASP 72 -7.475 -4.355 3.202 560 H TRP 73 H TRP 73 -5.082 -2.727 2.522 561 HA TRP 73 HA TRP 73 -6.154 -0.281 3.670 562 HB2 TRP 73 1HB TRP 73 -4.645 -1.671 5.028 563 HB3 TRP 73 2HB TRP 73 -3.358 -1.426 3.855 564 HD1 TRP 73 HD1 TRP 73 -5.445 0.591 6.409 565 HE1 TRP 73 HE1 TRP 73 -4.047 2.610 7.156 566 HE3 TRP 73 HE3 TRP 73 -1.471 0.014 3.279 567 HZ2 TRP 73 HZ2 TRP 73 -1.563 3.800 6.509 568 HZ3 TRP 73 HZ3 TRP 73 0.379 1.624 3.405 569 HH2 TRP 73 HH2 TRP 73 0.333 3.480 4.988 570 H LEU 74 H LEU 74 -4.060 -1.283 1.204 571 HA LEU 74 HA LEU 74 -2.810 1.254 0.626 572 HB2 LEU 74 1HB LEU 74 -2.979 -1.271 -1.012 573 HB3 LEU 74 2HB LEU 74 -2.181 0.178 -1.591 574 HG LEU 74 HG LEU 74 -1.334 -1.368 0.891 575 HD11 LEU 74 1HD1 LEU 74 -0.985 -2.659 -1.144 576 HD12 LEU 74 2HD1 LEU 74 0.546 -2.101 -0.467 577 HD13 LEU 74 3HD1 LEU 74 -0.144 -1.295 -1.878 578 HD21 LEU 74 3HD2 LEU 74 -0.063 0.931 -0.601 579 HD22 LEU 74 1HD2 LEU 74 0.672 0.039 0.733 580 HD23 LEU 74 2HD2 LEU 74 -0.781 1.003 1.012 581 H ASN 75 H ASN 75 -5.462 -0.519 -0.706 582 HA ASN 75 HA ASN 75 -6.154 1.205 -2.829 583 HB2 ASN 75 1HB ASN 75 -7.103 -1.035 -2.621 584 HB3 ASN 75 2HB ASN 75 -8.028 -0.520 -1.214 585 HD21 ASN 75 2HD2 ASN 75 -10.034 -0.855 -2.027 586 HD22 ASN 75 1HD2 ASN 75 -10.693 0.029 -3.356 587 H HIS 76 H HIS 76 -7.018 1.285 0.542 588 HA HIS 76 HA HIS 76 -9.122 3.108 0.455 589 HB2 HIS 76 1HB HIS 76 -9.209 2.488 2.599 590 HB3 HIS 76 2HB HIS 76 -7.643 1.723 2.452 591 HD1 HIS 76 HD1 HIS 76 -9.310 4.857 3.693 592 HD2 HIS 76 HD2 HIS 76 -5.517 3.112 3.657 593 HE1 HIS 76 HE1 HIS 76 -7.927 6.206 5.290 594 H MET 77 H MET 77 -5.653 3.762 0.509 595 HA MET 77 HA MET 77 -6.032 6.549 1.108 596 HB2 MET 77 1HB MET 77 -3.654 6.822 0.849 597 HB3 MET 77 2HB MET 77 -3.985 5.388 1.802 598 HG2 MET 77 1HG MET 77 -3.464 3.964 -0.065 599 HG3 MET 77 2HG MET 77 -3.321 5.357 -1.134 600 HE1 MET 77 3HE MET 77 -0.398 4.504 2.339 601 HE2 MET 77 1HE MET 77 -1.789 3.486 1.961 602 HE3 MET 77 2HE MET 77 -2.031 5.122 2.585 603 H TYR 78 H TYR 78 -6.098 4.742 -1.845 604 HA TYR 78 HA TYR 78 -5.003 6.629 -3.600 605 HB2 TYR 78 1HB TYR 78 -7.124 4.538 -4.099 606 HB3 TYR 78 2HB TYR 78 -6.408 5.536 -5.369 607 HD1 TYR 78 HD2 TYR 78 -3.629 5.569 -4.826 608 HD2 TYR 78 HD1 TYR 78 -6.410 2.426 -4.288 609 HE1 TYR 78 HE2 TYR 78 -1.813 3.946 -5.060 610 HE2 TYR 78 HE1 TYR 78 -4.603 0.773 -4.514 611 HH TYR 78 HH TYR 78 -2.343 0.644 -5.539 612 H ASP 79 H ASP 79 -8.408 6.162 -2.699 613 HA ASP 79 HA ASP 79 -9.427 8.144 -4.413 614 HB2 ASP 79 1HB ASP 79 -10.825 6.415 -3.395 615 HB3 ASP 79 2HB ASP 79 -10.584 7.140 -1.809 616 H GLN 80 H GLN 80 -8.631 8.371 -0.994 617 HA GLN 80 HA GLN 80 -9.305 11.036 -0.585 618 HB2 GLN 80 1HB GLN 80 -8.766 9.449 1.221 619 HB3 GLN 80 2HB GLN 80 -7.070 9.533 0.777 620 HG2 GLN 80 1HG GLN 80 -7.018 11.898 1.341 621 HG3 GLN 80 2HG GLN 80 -8.734 11.848 1.739 622 HE21 GLN 80 2HE2 GLN 80 -8.415 12.485 3.840 623 HE22 GLN 80 1HE2 GLN 80 -7.703 11.450 5.026 624 H LEU 81 H LEU 81 -6.241 9.749 -1.833 625 HA LEU 81 HA LEU 81 -5.022 12.392 -1.821 626 HB2 LEU 81 1HB LEU 81 -3.987 9.763 -2.869 627 HB3 LEU 81 2HB LEU 81 -3.064 11.250 -2.794 628 HG LEU 81 HG LEU 81 -4.169 9.777 -0.403 629 HD11 LEU 81 1HD1 LEU 81 -2.349 8.578 -1.546 630 HD12 LEU 81 2HD1 LEU 81 -1.889 9.150 0.058 631 HD13 LEU 81 3HD1 LEU 81 -1.326 10.007 -1.378 632 HD21 LEU 81 3HD2 LEU 81 -2.382 12.200 -0.616 633 HD22 LEU 81 1HD2 LEU 81 -2.736 11.331 0.877 634 HD23 LEU 81 2HD2 LEU 81 -4.031 12.160 0.010 635 H LYS 82 H LYS 82 -7.230 11.211 -3.667 636 HA LYS 82 HA LYS 82 -6.057 11.860 -6.260 637 HB2 LYS 82 1HB LYS 82 -8.643 10.551 -5.532 638 HB3 LYS 82 2HB LYS 82 -8.392 11.215 -7.144 639 HG2 LYS 82 1HG LYS 82 -6.492 9.797 -7.502 640 HG3 LYS 82 2HG LYS 82 -6.561 9.220 -5.842 641 HD2 LYS 82 1HD LYS 82 -8.640 8.130 -6.244 642 HD3 LYS 82 2HD LYS 82 -8.759 8.838 -7.858 643 HE2 LYS 82 1HE LYS 82 -6.609 6.911 -6.929 644 HE3 LYS 82 2HE LYS 82 -8.013 6.483 -7.915 645 HZ1 LYS 82 3HZ LYS 82 -5.798 8.310 -8.662 646 HZ2 LYS 82 1HZ LYS 82 -7.205 8.115 -9.574 647 HZ3 LYS 82 2HZ LYS 82 -6.160 6.812 -9.353 648 H ASP 83 H ASP 83 -7.807 13.381 -3.851 649 HA ASP 83 HA ASP 83 -9.216 15.303 -5.384 650 HB2 ASP 83 1HB ASP 83 -8.277 15.168 -2.551 651 HB3 ASP 83 2HB ASP 83 -8.850 16.711 -3.180 652 H TRP 84 H TRP 84 -5.926 15.209 -4.115 653 HA TRP 84 HA TRP 84 -5.261 17.401 -5.942 654 HB2 TRP 84 1HB TRP 84 -4.331 17.008 -3.098 655 HB3 TRP 84 2HB TRP 84 -3.420 17.981 -4.248 656 HD1 TRP 84 HD1 TRP 84 -5.006 20.078 -5.387 657 HE1 TRP 84 HE1 TRP 84 -6.595 21.659 -4.123 658 HE3 TRP 84 HE3 TRP 84 -5.776 17.268 -1.182 659 HZ2 TRP 84 HZ2 TRP 84 -7.996 21.708 -1.671 660 HZ3 TRP 84 HZ3 TRP 84 -7.254 18.158 0.572 661 HH2 TRP 84 HH2 TRP 84 -8.338 20.331 0.330 662 H LYS 85 H LYS 85 -4.515 16.066 -7.515 663 HA LYS 85 HA LYS 85 -3.010 14.835 -8.685 664 HB2 LYS 85 1HB LYS 85 -1.382 16.443 -7.861 665 HB3 LYS 85 2HB LYS 85 -1.211 15.547 -6.361 666 HG2 LYS 85 1HG LYS 85 0.703 15.062 -7.636 667 HG3 LYS 85 2HG LYS 85 -0.317 13.632 -7.750 668 HD2 LYS 85 1HD LYS 85 -0.526 15.742 -9.861 669 HD3 LYS 85 2HD LYS 85 0.854 14.645 -9.882 670 HE2 LYS 85 1HE LYS 85 -0.743 12.738 -9.880 671 HE3 LYS 85 2HE LYS 85 -2.065 13.892 -10.001 672 HZ1 LYS 85 3HZ LYS 85 -1.494 13.030 -12.159 673 HZ2 LYS 85 1HZ LYS 85 0.111 13.530 -11.984 674 HZ3 LYS 85 2HZ LYS 85 -1.123 14.676 -12.099 Start of MODEL 6 1 HA MET 1 HA MET 1 12.896 -8.284 3.928 2 HB2 MET 1 1HB MET 1 14.019 -6.502 2.623 3 HB3 MET 1 2HB MET 1 14.995 -7.058 3.973 4 HG2 MET 1 1HG MET 1 16.350 -8.402 2.440 5 HG3 MET 1 2HG MET 1 15.362 -7.850 1.090 6 HE1 MET 1 3HE MET 1 18.273 -5.230 3.525 7 HE2 MET 1 1HE MET 1 18.055 -6.967 3.739 8 HE3 MET 1 2HE MET 1 16.779 -5.849 4.226 9 H GLY 2 H GLY 2 11.157 -8.634 2.756 10 HA2 GLY 2 1HA GLY 2 9.839 -8.852 0.846 11 HA3 GLY 2 2HA GLY 2 11.291 -8.677 -0.130 12 H ARG 3 H ARG 3 10.904 -11.004 2.407 13 HA ARG 3 HA ARG 3 11.661 -13.132 0.635 14 HB2 ARG 3 1HB ARG 3 10.943 -13.085 3.557 15 HB3 ARG 3 2HB ARG 3 11.499 -14.517 2.706 16 HG2 ARG 3 1HG ARG 3 13.632 -13.499 2.270 17 HG3 ARG 3 2HG ARG 3 13.081 -11.964 2.943 18 HD2 ARG 3 1HD ARG 3 13.204 -14.538 4.496 19 HD3 ARG 3 2HD ARG 3 14.483 -13.320 4.499 20 HE ARG 3 HE ARG 3 12.273 -11.891 5.155 21 HH11 ARG 3 1HH2 ARG 3 13.630 -14.858 6.482 22 HH12 ARG 3 2HH2 ARG 3 13.096 -14.517 8.087 23 HH21 ARG 3 1HH1 ARG 3 11.571 -11.457 7.201 24 HH22 ARG 3 2HH1 ARG 3 11.887 -12.553 8.512 25 H LEU 4 H LEU 4 9.982 -13.462 -0.801 26 HA LEU 4 HA LEU 4 7.489 -14.500 0.362 27 HB2 LEU 4 1HB LEU 4 8.062 -13.222 -2.304 28 HB3 LEU 4 2HB LEU 4 6.661 -14.241 -2.083 29 HG LEU 4 HG LEU 4 5.945 -11.986 -1.892 30 HD11 LEU 4 1HD1 LEU 4 4.994 -11.906 0.333 31 HD12 LEU 4 2HD1 LEU 4 6.143 -13.124 0.886 32 HD13 LEU 4 3HD1 LEU 4 4.927 -13.544 -0.320 33 HD21 LEU 4 3HD2 LEU 4 6.869 -10.409 -0.258 34 HD22 LEU 4 1HD2 LEU 4 8.073 -10.914 -1.440 35 HD23 LEU 4 2HD2 LEU 4 8.094 -11.596 0.184 36 H TYR 5 H TYR 5 7.018 -16.586 0.123 37 HA TYR 5 HA TYR 5 8.718 -18.151 -1.706 38 HB2 TYR 5 1HB TYR 5 7.513 -19.033 0.920 39 HB3 TYR 5 2HB TYR 5 8.504 -20.026 -0.142 40 HD1 TYR 5 HD2 TYR 5 10.908 -19.293 -0.553 41 HD2 TYR 5 HD1 TYR 5 8.500 -17.667 2.553 42 HE1 TYR 5 HE2 TYR 5 12.931 -18.497 0.592 43 HE2 TYR 5 HE1 TYR 5 10.519 -16.862 3.707 44 HH TYR 5 HH TYR 5 13.511 -16.686 2.205 45 H SER 6 H SER 6 5.522 -17.908 -0.216 46 HA SER 6 HA SER 6 4.432 -19.897 -2.015 47 HB2 SER 6 1HB SER 6 3.123 -18.253 0.159 48 HB3 SER 6 2HB SER 6 2.361 -19.576 -0.728 49 HG SER 6 HG SER 6 4.471 -20.697 0.094 50 H GLY 7 H GLY 7 2.040 -19.185 -2.758 51 HA2 GLY 7 1HA GLY 7 2.498 -16.919 -4.538 52 HA3 GLY 7 2HA GLY 7 1.244 -18.138 -4.710 53 H ASN 8 H ASN 8 -0.631 -17.115 -4.675 54 HA ASN 8 HA ASN 8 -2.438 -15.940 -3.953 55 HB2 ASN 8 1HB ASN 8 -0.876 -15.767 -1.373 56 HB3 ASN 8 2HB ASN 8 -2.508 -15.139 -1.563 57 HD21 ASN 8 2HD2 ASN 8 -1.540 -17.203 0.205 58 HD22 ASN 8 1HD2 ASN 8 -2.424 -18.637 -0.176 59 H LEU 9 H LEU 9 0.439 -14.666 -4.566 60 HA LEU 9 HA LEU 9 -0.097 -11.923 -3.894 61 HB2 LEU 9 1HB LEU 9 2.088 -13.144 -5.573 62 HB3 LEU 9 2HB LEU 9 2.042 -11.483 -5.016 63 HG LEU 9 HG LEU 9 2.238 -13.910 -3.235 64 HD11 LEU 9 1HD1 LEU 9 4.320 -11.873 -4.005 65 HD12 LEU 9 2HD1 LEU 9 4.269 -13.552 -4.537 66 HD13 LEU 9 3HD1 LEU 9 4.523 -13.178 -2.835 67 HD21 LEU 9 3HD2 LEU 9 1.090 -12.089 -2.121 68 HD22 LEU 9 1HD2 LEU 9 2.356 -10.960 -2.608 69 HD23 LEU 9 2HD2 LEU 9 2.719 -12.261 -1.473 70 H ALA 10 H ALA 10 -1.520 -13.702 -6.172 71 HA ALA 10 HA ALA 10 -1.037 -12.515 -8.635 72 HB1 ALA 10 3HB ALA 10 -3.681 -13.573 -7.652 73 HB2 ALA 10 1HB ALA 10 -2.375 -14.544 -8.331 74 HB3 ALA 10 2HB ALA 10 -3.198 -13.351 -9.334 75 H ALA 11 H ALA 11 -3.601 -11.575 -6.312 76 HA ALA 11 HA ALA 11 -4.197 -9.212 -7.890 77 HB1 ALA 11 3HB ALA 11 -5.278 -10.053 -5.200 78 HB2 ALA 11 1HB ALA 11 -5.999 -10.431 -6.763 79 HB3 ALA 11 2HB ALA 11 -5.902 -8.756 -6.216 80 H PHE 12 H PHE 12 -2.478 -10.085 -5.127 81 HA PHE 12 HA PHE 12 -2.019 -7.633 -3.834 82 HB2 PHE 12 1HB PHE 12 -1.325 -9.866 -2.947 83 HB3 PHE 12 2HB PHE 12 0.003 -9.873 -4.101 84 HD1 PHE 12 HD1 PHE 12 -1.313 -8.379 -1.031 85 HD2 PHE 12 HD2 PHE 12 1.961 -8.501 -3.748 86 HE1 PHE 12 HE1 PHE 12 0.082 -7.196 0.608 87 HE2 PHE 12 HE2 PHE 12 3.366 -7.316 -2.110 88 HZ PHE 12 HZ PHE 12 2.427 -6.663 0.071 89 H LYS 13 H LYS 13 -0.059 -9.150 -6.461 90 HA LYS 13 HA LYS 13 1.797 -7.102 -6.723 91 HB2 LYS 13 1HB LYS 13 0.781 -9.125 -8.708 92 HB3 LYS 13 2HB LYS 13 2.144 -8.060 -9.019 93 HG2 LYS 13 1HG LYS 13 1.996 -10.047 -6.763 94 HG3 LYS 13 2HG LYS 13 2.810 -10.319 -8.303 95 HD2 LYS 13 1HD LYS 13 4.275 -8.401 -7.848 96 HD3 LYS 13 2HD LYS 13 3.473 -8.165 -6.296 97 HE2 LYS 13 1HE LYS 13 4.218 -10.365 -5.561 98 HE3 LYS 13 2HE LYS 13 4.961 -10.649 -7.132 99 HZ1 LYS 13 3HZ LYS 13 5.757 -8.516 -5.219 100 HZ2 LYS 13 1HZ LYS 13 6.458 -8.804 -6.724 101 HZ3 LYS 13 2HZ LYS 13 6.606 -9.957 -5.506 102 H ALA 14 H ALA 14 -1.424 -7.384 -8.059 103 HA ALA 14 HA ALA 14 -1.245 -5.594 -10.187 104 HB1 ALA 14 3HB ALA 14 -3.679 -5.371 -10.019 105 HB2 ALA 14 1HB ALA 14 -3.635 -6.120 -8.424 106 HB3 ALA 14 2HB ALA 14 -3.167 -7.047 -9.849 107 H ALA 15 H ALA 15 -1.411 -4.937 -6.777 108 HA ALA 15 HA ALA 15 -2.307 -2.264 -6.852 109 HB1 ALA 15 3HB ALA 15 -2.282 -3.594 -4.802 110 HB2 ALA 15 1HB ALA 15 -1.396 -2.082 -4.591 111 HB3 ALA 15 2HB ALA 15 -0.519 -3.597 -4.823 112 H THR 16 H THR 16 0.718 -3.666 -7.579 113 HA THR 16 HA THR 16 2.509 -1.554 -7.113 114 HB THR 16 HB THR 16 2.736 -3.503 -9.415 115 HG1 THR 16 HG1 THR 16 2.591 -4.885 -7.792 116 HG21 THR 16 3HG2 THR 16 5.154 -3.240 -9.034 117 HG22 THR 16 1HG2 THR 16 4.824 -2.097 -7.736 118 HG23 THR 16 2HG2 THR 16 4.404 -1.686 -9.398 119 H ASN 17 H ASN 17 0.534 -2.257 -9.976 120 HA ASN 17 HA ASN 17 1.578 -0.256 -11.672 121 HB2 ASN 17 1HB ASN 17 0.238 -2.103 -12.537 122 HB3 ASN 17 2HB ASN 17 -1.168 -1.531 -11.647 123 HD21 ASN 17 2HD2 ASN 17 0.920 -0.985 -14.370 124 HD22 ASN 17 1HD2 ASN 17 -0.103 0.139 -15.191 125 H LYS 18 H LYS 18 -0.952 -0.217 -9.285 126 HA LYS 18 HA LYS 18 -2.197 2.207 -9.869 127 HB2 LYS 18 1HB LYS 18 -1.801 0.915 -7.170 128 HB3 LYS 18 2HB LYS 18 -2.948 2.196 -7.527 129 HG2 LYS 18 1HG LYS 18 -4.112 0.707 -9.086 130 HG3 LYS 18 2HG LYS 18 -2.972 -0.583 -8.689 131 HD2 LYS 18 1HD LYS 18 -3.681 -0.373 -6.306 132 HD3 LYS 18 2HD LYS 18 -4.922 0.770 -6.829 133 HE2 LYS 18 1HE LYS 18 -4.665 -2.119 -7.656 134 HE3 LYS 18 2HE LYS 18 -5.888 -1.433 -6.591 135 HZ1 LYS 18 3HZ LYS 18 -5.540 -0.903 -9.486 136 HZ2 LYS 18 1HZ LYS 18 -6.633 -0.071 -8.501 137 HZ3 LYS 18 2HZ LYS 18 -6.809 -1.733 -8.746 138 H LEU 19 H LEU 19 0.736 1.525 -8.090 139 HA LEU 19 HA LEU 19 1.040 3.884 -6.612 140 HB2 LEU 19 1HB LEU 19 3.151 2.105 -7.861 141 HB3 LEU 19 2HB LEU 19 3.458 3.290 -6.614 142 HG LEU 19 HG LEU 19 1.716 0.851 -6.269 143 HD11 LEU 19 1HD1 LEU 19 3.569 -0.063 -4.984 144 HD12 LEU 19 2HD1 LEU 19 4.538 1.364 -5.353 145 HD13 LEU 19 3HD1 LEU 19 4.062 0.267 -6.646 146 HD21 LEU 19 3HD2 LEU 19 1.866 1.373 -3.891 147 HD22 LEU 19 1HD2 LEU 19 1.127 2.704 -4.781 148 HD23 LEU 19 2HD2 LEU 19 2.810 2.815 -4.258 149 H PHE 20 H PHE 20 2.103 3.059 -9.896 150 HA PHE 20 HA PHE 20 3.601 5.404 -10.383 151 HB2 PHE 20 1HB PHE 20 3.938 3.432 -11.757 152 HB3 PHE 20 2HB PHE 20 2.277 3.503 -12.327 153 HD1 PHE 20 HD1 PHE 20 5.483 5.381 -12.347 154 HD2 PHE 20 HD2 PHE 20 1.734 4.709 -14.252 155 HE1 PHE 20 HE1 PHE 20 6.195 6.780 -14.245 156 HE2 PHE 20 HE2 PHE 20 2.441 6.103 -16.150 157 HZ PHE 20 HZ PHE 20 4.674 7.143 -16.147 158 H GLN 21 H GLN 21 0.219 4.695 -10.602 159 HA GLN 21 HA GLN 21 -0.619 6.557 -12.475 160 HB2 GLN 21 1HB GLN 21 -2.043 5.497 -10.050 161 HB3 GLN 21 2HB GLN 21 -2.823 6.454 -11.301 162 HG2 GLN 21 1HG GLN 21 -2.339 4.763 -12.957 163 HG3 GLN 21 2HG GLN 21 -1.448 3.814 -11.769 164 HE21 GLN 21 2HE2 GLN 21 -3.383 4.439 -9.661 165 HE22 GLN 21 1HE2 GLN 21 -4.767 3.456 -9.988 166 H LEU 22 H LEU 22 -0.217 7.104 -8.880 167 HA LEU 22 HA LEU 22 -0.694 9.911 -9.480 168 HB2 LEU 22 1HB LEU 22 -2.180 8.822 -7.818 169 HB3 LEU 22 2HB LEU 22 -0.782 8.448 -6.832 170 HG LEU 22 HG LEU 22 -0.388 10.859 -6.485 171 HD11 LEU 22 1HD1 LEU 22 -2.077 12.484 -7.163 172 HD12 LEU 22 2HD1 LEU 22 -2.953 11.222 -8.026 173 HD13 LEU 22 3HD1 LEU 22 -1.342 11.701 -8.561 174 HD21 LEU 22 3HD2 LEU 22 -1.729 9.617 -4.873 175 HD22 LEU 22 1HD2 LEU 22 -3.181 9.929 -5.828 176 HD23 LEU 22 2HD2 LEU 22 -2.334 11.265 -5.045 177 H ASP 23 H ASP 23 1.860 8.090 -9.616 178 HA ASP 23 HA ASP 23 4.088 8.372 -9.415 179 HB2 ASP 23 1HB ASP 23 3.510 10.660 -10.267 180 HB3 ASP 23 2HB ASP 23 3.487 11.226 -8.604 181 H LEU 24 H LEU 24 3.404 6.949 -7.452 182 HA LEU 24 HA LEU 24 4.973 7.910 -5.210 183 HB2 LEU 24 1HB LEU 24 3.272 7.281 -3.514 184 HB3 LEU 24 2HB LEU 24 2.818 8.658 -4.491 185 HG LEU 24 HG LEU 24 1.522 6.799 -5.876 186 HD11 LEU 24 1HD1 LEU 24 0.590 5.099 -4.406 187 HD12 LEU 24 2HD1 LEU 24 1.662 5.633 -3.108 188 HD13 LEU 24 3HD1 LEU 24 2.337 4.926 -4.577 189 HD21 LEU 24 3HD2 LEU 24 -0.462 7.302 -4.535 190 HD22 LEU 24 1HD2 LEU 24 0.509 8.742 -4.840 191 HD23 LEU 24 2HD2 LEU 24 0.571 7.958 -3.262 192 H ALA 25 H ALA 25 5.170 6.054 -3.470 193 HA ALA 25 HA ALA 25 5.129 3.415 -4.717 194 HB1 ALA 25 3HB ALA 25 7.695 4.624 -3.680 195 HB2 ALA 25 1HB ALA 25 7.292 4.388 -5.382 196 HB3 ALA 25 2HB ALA 25 7.490 2.994 -4.319 197 H VAL 26 H VAL 26 6.418 1.819 -2.948 198 HA VAL 26 HA VAL 26 5.645 2.496 -0.260 199 HB VAL 26 HB VAL 26 3.531 1.565 -1.000 200 HG11 VAL 26 1HG1 VAL 26 5.092 -0.798 -2.043 201 HG12 VAL 26 2HG1 VAL 26 4.303 0.438 -3.023 202 HG13 VAL 26 3HG1 VAL 26 3.336 -0.648 -2.023 203 HG21 VAL 26 3HG2 VAL 26 4.189 0.845 1.215 204 HG22 VAL 26 1HG2 VAL 26 5.107 -0.501 0.542 205 HG23 VAL 26 2HG2 VAL 26 3.352 -0.477 0.402 206 H ILE 27 H ILE 27 6.943 1.429 1.228 207 HA ILE 27 HA ILE 27 8.562 -0.820 0.238 208 HB ILE 27 HB ILE 27 10.487 -0.023 1.594 209 HG12 ILE 27 1HG1 ILE 27 8.908 2.543 1.856 210 HG13 ILE 27 2HG1 ILE 27 9.193 1.395 3.158 211 HG21 ILE 27 1HG2 ILE 27 9.556 1.898 -0.532 212 HG22 ILE 27 2HG2 ILE 27 10.466 0.410 -0.785 213 HG23 ILE 27 3HG2 ILE 27 11.210 1.764 0.069 214 HD11 ILE 27 3HD1 ILE 27 11.313 2.943 1.689 215 HD12 ILE 27 1HD1 ILE 27 11.583 1.818 3.021 216 HD13 ILE 27 2HD1 ILE 27 10.683 3.312 3.295 217 H TYR 28 H TYR 28 8.847 -2.494 1.650 218 HA TYR 28 HA TYR 28 7.637 -2.139 4.313 219 HB2 TYR 28 1HB TYR 28 6.733 -4.423 4.215 220 HB3 TYR 28 2HB TYR 28 6.079 -3.386 2.955 221 HD1 TYR 28 HD2 TYR 28 6.884 -3.701 0.589 222 HD2 TYR 28 HD1 TYR 28 7.889 -6.420 3.704 223 HE1 TYR 28 HE2 TYR 28 7.470 -5.399 -1.087 224 HE2 TYR 28 HE1 TYR 28 8.471 -8.121 2.041 225 HH TYR 28 HH TYR 28 7.921 -8.653 -0.314 226 H ASP 29 H ASP 29 8.294 -3.477 6.008 227 HA ASP 29 HA ASP 29 11.121 -4.358 5.804 228 HB2 ASP 29 1HB ASP 29 9.677 -3.295 8.249 229 HB3 ASP 29 2HB ASP 29 11.349 -3.811 8.190 230 H ASP 30 H ASP 30 11.584 -6.418 6.416 231 HA ASP 30 HA ASP 30 9.957 -7.699 8.445 232 HB2 ASP 30 1HB ASP 30 9.625 -9.782 7.211 233 HB3 ASP 30 2HB ASP 30 8.942 -8.457 6.282 234 H TRP 31 H TRP 31 11.474 -8.282 10.063 235 HA TRP 31 HA TRP 31 13.305 -8.790 11.020 236 HB2 TRP 31 1HB TRP 31 12.595 -11.052 10.182 237 HB3 TRP 31 2HB TRP 31 13.744 -10.851 8.860 238 HD1 TRP 31 HD1 TRP 31 14.126 -10.223 12.677 239 HE1 TRP 31 HE1 TRP 31 16.241 -11.452 13.480 240 HE3 TRP 31 HE3 TRP 31 15.522 -12.414 8.270 241 HZ2 TRP 31 HZ2 TRP 31 18.221 -13.128 12.406 242 HZ3 TRP 31 HZ3 TRP 31 17.540 -13.815 8.253 243 HH2 TRP 31 HH2 TRP 31 18.860 -14.161 10.276 244 H TYR 32 H TYR 32 14.217 -6.758 10.578 245 HA TYR 32 HA TYR 32 16.260 -6.723 8.509 246 HB2 TYR 32 1HB TYR 32 14.599 -4.821 8.845 247 HB3 TYR 32 2HB TYR 32 15.486 -4.431 10.310 248 HD1 TYR 32 HD1 TYR 32 16.073 -5.036 6.684 249 HD2 TYR 32 HD2 TYR 32 17.210 -2.868 10.157 250 HE1 TYR 32 HE1 TYR 32 17.619 -3.699 5.328 251 HE2 TYR 32 HE2 TYR 32 18.766 -1.524 8.808 252 HH TYR 32 HH TYR 32 19.991 -1.719 6.679 253 H ASP 33 H ASP 33 16.357 -5.182 11.731 254 HA ASP 33 HA ASP 33 18.651 -6.821 12.508 255 HB2 ASP 33 1HB ASP 33 18.789 -3.820 12.191 256 HB3 ASP 33 2HB ASP 33 19.939 -4.736 13.146 257 H ALA 34 H ALA 34 16.206 -7.056 13.863 258 HA ALA 34 HA ALA 34 16.814 -5.608 16.294 259 HB1 ALA 34 3HB ALA 34 14.395 -5.224 16.633 260 HB2 ALA 34 1HB ALA 34 14.097 -5.833 15.004 261 HB3 ALA 34 2HB ALA 34 15.029 -4.354 15.233 262 H TYR 35 H TYR 35 15.415 -6.636 18.157 263 HA TYR 35 HA TYR 35 16.087 -9.366 18.268 264 HB2 TYR 35 1HB TYR 35 15.273 -9.268 20.515 265 HB3 TYR 35 2HB TYR 35 16.094 -7.748 20.195 266 HD1 TYR 35 HD2 TYR 35 14.692 -5.683 19.749 267 HD2 TYR 35 HD1 TYR 35 12.986 -9.332 21.117 268 HE1 TYR 35 HE2 TYR 35 12.671 -4.472 20.447 269 HE2 TYR 35 HE1 TYR 35 10.962 -8.131 21.812 270 HH TYR 35 HH TYR 35 10.334 -5.834 22.458 271 H THR 36 H THR 36 13.533 -8.070 16.596 272 HA THR 36 HA THR 36 11.450 -9.754 17.642 273 HB THR 36 HB THR 36 10.869 -7.439 17.071 274 HG1 THR 36 HG1 THR 36 9.738 -9.200 15.147 275 HG21 THR 36 3HG2 THR 36 12.531 -7.039 15.322 276 HG22 THR 36 1HG2 THR 36 10.911 -6.662 14.733 277 HG23 THR 36 2HG2 THR 36 11.698 -8.166 14.252 278 H ARG 37 H ARG 37 13.691 -11.036 16.582 279 HA ARG 37 HA ARG 37 14.045 -11.822 14.050 280 HB2 ARG 37 1HB ARG 37 15.298 -12.637 16.011 281 HB3 ARG 37 2HB ARG 37 13.965 -13.702 16.415 282 HG2 ARG 37 1HG ARG 37 15.191 -13.980 13.718 283 HG3 ARG 37 2HG ARG 37 16.106 -14.545 15.112 284 HD2 ARG 37 1HD ARG 37 13.314 -15.397 14.349 285 HD3 ARG 37 2HD ARG 37 14.783 -16.348 14.140 286 HE ARG 37 HE ARG 37 14.409 -15.554 16.854 287 HH11 ARG 37 1HH2 ARG 37 13.424 -17.926 14.462 288 HH12 ARG 37 2HH2 ARG 37 12.939 -19.100 15.633 289 HH21 ARG 37 1HH1 ARG 37 13.759 -17.097 18.411 290 HH22 ARG 37 2HH1 ARG 37 13.117 -18.619 17.894 291 H LYS 38 H LYS 38 11.249 -12.826 15.948 292 HA LYS 38 HA LYS 38 10.398 -14.888 14.215 293 HB2 LYS 38 1HB LYS 38 8.157 -14.592 15.341 294 HB3 LYS 38 2HB LYS 38 9.512 -14.906 16.406 295 HG2 LYS 38 1HG LYS 38 8.312 -13.268 17.512 296 HG3 LYS 38 2HG LYS 38 9.593 -12.355 16.719 297 HD2 LYS 38 1HD LYS 38 8.070 -11.704 14.945 298 HD3 LYS 38 2HD LYS 38 6.789 -12.691 15.649 299 HE2 LYS 38 1HE LYS 38 8.111 -10.321 16.968 300 HE3 LYS 38 2HE LYS 38 6.524 -10.311 16.198 301 HZ1 LYS 38 3HZ LYS 38 7.281 -11.973 18.538 302 HZ2 LYS 38 1HZ LYS 38 5.756 -11.909 17.822 303 HZ3 LYS 38 2HZ LYS 38 6.383 -10.554 18.607 304 H ASP 39 H ASP 39 7.863 -14.513 13.419 305 HA ASP 39 HA ASP 39 8.241 -13.106 10.990 306 HB2 ASP 39 1HB ASP 39 6.906 -15.152 11.125 307 HB3 ASP 39 2HB ASP 39 5.725 -14.322 12.131 308 H CYS 40 H CYS 40 7.897 -11.042 10.518 309 HA CYS 40 HA CYS 40 5.732 -9.544 11.703 310 HB2 CYS 40 1HB CYS 40 7.363 -7.676 12.383 311 HB3 CYS 40 2HB CYS 40 7.278 -9.087 13.430 312 HG CYS 40 HG CYS 40 9.636 -10.223 12.563 313 H ILE 41 H ILE 41 5.036 -7.867 10.367 314 HA ILE 41 HA ILE 41 6.696 -7.187 8.031 315 HB ILE 41 HB ILE 41 3.765 -7.970 7.918 316 HG12 ILE 41 1HG1 ILE 41 6.150 -9.172 6.488 317 HG13 ILE 41 2HG1 ILE 41 5.456 -9.824 7.970 318 HG21 ILE 41 1HG2 ILE 41 3.864 -7.485 5.525 319 HG22 ILE 41 2HG2 ILE 41 5.518 -6.901 5.703 320 HG23 ILE 41 3HG2 ILE 41 4.191 -6.035 6.476 321 HD11 ILE 41 3HD1 ILE 41 3.381 -10.294 6.837 322 HD12 ILE 41 1HD1 ILE 41 4.722 -11.011 5.946 323 HD13 ILE 41 2HD1 ILE 41 3.973 -9.522 5.363 324 H ARG 42 H ARG 42 6.862 -5.039 7.702 325 HA ARG 42 HA ARG 42 4.780 -3.234 8.822 326 HB2 ARG 42 1HB ARG 42 6.850 -3.082 10.093 327 HB3 ARG 42 2HB ARG 42 7.760 -2.797 8.615 328 HG2 ARG 42 1HG ARG 42 6.273 -0.731 8.315 329 HG3 ARG 42 2HG ARG 42 5.824 -0.977 10.003 330 HD2 ARG 42 1HD ARG 42 8.636 -0.642 8.979 331 HD3 ARG 42 2HD ARG 42 7.669 0.635 9.710 332 HE ARG 42 HE ARG 42 7.639 -1.020 11.693 333 HH11 ARG 42 1HH2 ARG 42 10.315 -0.603 9.444 334 HH12 ARG 42 2HH2 ARG 42 11.528 -0.827 10.658 335 HH21 ARG 42 1HH1 ARG 42 9.266 -1.341 13.304 336 HH22 ARG 42 2HH1 ARG 42 10.935 -1.249 12.853 337 H LEU 43 H LEU 43 3.916 -1.719 7.426 338 HA LEU 43 HA LEU 43 5.145 -1.355 4.773 339 HB2 LEU 43 1HB LEU 43 2.369 -1.063 5.858 340 HB3 LEU 43 2HB LEU 43 2.828 -0.056 4.507 341 HG LEU 43 HG LEU 43 3.212 -2.028 3.120 342 HD11 LEU 43 1HD1 LEU 43 2.651 -4.256 3.916 343 HD12 LEU 43 2HD1 LEU 43 2.374 -3.620 5.537 344 HD13 LEU 43 3HD1 LEU 43 3.990 -3.577 4.833 345 HD21 LEU 43 3HD2 LEU 43 0.566 -2.120 4.555 346 HD22 LEU 43 1HD2 LEU 43 0.915 -2.811 2.971 347 HD23 LEU 43 2HD2 LEU 43 0.983 -1.062 3.207 348 H ARG 44 H ARG 44 6.357 0.440 4.496 349 HA ARG 44 HA ARG 44 5.679 2.862 6.043 350 HB2 ARG 44 1HB ARG 44 7.856 2.092 6.668 351 HB3 ARG 44 2HB ARG 44 8.330 1.875 4.994 352 HG2 ARG 44 1HG ARG 44 8.297 4.290 4.649 353 HG3 ARG 44 2HG ARG 44 7.766 4.527 6.312 354 HD2 ARG 44 1HD ARG 44 9.831 3.616 7.149 355 HD3 ARG 44 2HD ARG 44 10.349 3.191 5.518 356 HE ARG 44 HE ARG 44 10.509 5.561 5.024 357 HH11 ARG 44 1HH2 ARG 44 10.348 4.693 8.429 358 HH12 ARG 44 2HH2 ARG 44 11.062 6.173 8.967 359 HH21 ARG 44 1HH1 ARG 44 11.464 7.502 5.736 360 HH22 ARG 44 2HH1 ARG 44 11.705 7.784 7.426 361 H ILE 45 H ILE 45 4.701 4.424 4.877 362 HA ILE 45 HA ILE 45 5.393 4.740 2.044 363 HB ILE 45 HB ILE 45 3.074 5.864 3.643 364 HG12 ILE 45 1HG1 ILE 45 2.946 3.416 3.352 365 HG13 ILE 45 2HG1 ILE 45 1.676 4.242 2.460 366 HG21 ILE 45 1HG2 ILE 45 3.707 7.297 1.763 367 HG22 ILE 45 2HG2 ILE 45 2.136 6.536 1.497 368 HG23 ILE 45 3HG2 ILE 45 3.567 5.921 0.667 369 HD11 ILE 45 3HD1 ILE 45 2.990 3.982 0.402 370 HD12 ILE 45 1HD1 ILE 45 2.590 2.439 1.156 371 HD13 ILE 45 2HD1 ILE 45 4.214 3.105 1.321 372 H GLU 46 H GLU 46 6.512 6.547 1.370 373 HA GLU 46 HA GLU 46 6.473 8.945 2.979 374 HB2 GLU 46 1HB GLU 46 8.913 9.128 3.111 375 HB3 GLU 46 2HB GLU 46 8.324 7.719 3.981 376 HG2 GLU 46 1HG GLU 46 9.019 6.270 2.199 377 HG3 GLU 46 2HG GLU 46 9.499 7.654 1.216 378 H ASP 47 H ASP 47 7.492 10.764 1.877 379 HA ASP 47 HA ASP 47 7.036 10.629 -0.993 380 HB2 ASP 47 1HB ASP 47 6.072 12.518 0.246 381 HB3 ASP 47 2HB ASP 47 7.675 12.998 0.792 382 H ARG 48 H ARG 48 8.556 11.775 -2.448 383 HA ARG 48 HA ARG 48 11.185 10.638 -2.123 384 HB2 ARG 48 1HB ARG 48 11.546 11.512 -4.450 385 HB3 ARG 48 2HB ARG 48 10.205 10.391 -4.278 386 HG2 ARG 48 1HG ARG 48 9.398 12.055 -5.708 387 HG3 ARG 48 2HG ARG 48 8.712 12.468 -4.143 388 HD2 ARG 48 1HD ARG 48 10.485 14.145 -3.825 389 HD3 ARG 48 2HD ARG 48 11.150 13.729 -5.406 390 HE ARG 48 HE ARG 48 8.448 14.399 -5.704 391 HH11 ARG 48 1HH2 ARG 48 11.508 15.966 -4.930 392 HH12 ARG 48 2HH2 ARG 48 11.013 17.502 -5.553 393 HH21 ARG 48 1HH1 ARG 48 7.810 16.417 -6.522 394 HH22 ARG 48 2HH1 ARG 48 8.900 17.756 -6.480 395 H SER 49 H SER 49 10.207 13.188 -0.576 396 HA SER 49 HA SER 49 12.450 14.913 -1.358 397 HB2 SER 49 1HB SER 49 9.846 15.760 -0.063 398 HB3 SER 49 2HB SER 49 11.136 16.814 -0.638 399 HG SER 49 HG SER 49 9.136 15.503 -2.013 400 H GLY 50 H GLY 50 11.978 12.607 0.628 401 HA2 GLY 50 1HA GLY 50 12.799 12.081 2.720 402 HA3 GLY 50 2HA GLY 50 13.446 13.713 2.814 403 H ASN 51 H ASN 51 10.243 12.143 2.775 404 HA ASN 51 HA ASN 51 9.518 13.442 5.242 405 HB2 ASN 51 1HB ASN 51 9.010 15.216 3.624 406 HB3 ASN 51 2HB ASN 51 8.046 14.089 2.674 407 HD21 ASN 51 2HD2 ASN 51 6.189 15.369 2.891 408 HD22 ASN 51 1HD2 ASN 51 5.321 15.452 4.379 409 H LEU 52 H LEU 52 8.611 11.821 6.330 410 HA LEU 52 HA LEU 52 7.501 9.533 5.043 411 HB2 LEU 52 1HB LEU 52 7.131 8.636 7.198 412 HB3 LEU 52 2HB LEU 52 8.630 9.526 7.298 413 HG LEU 52 HG LEU 52 5.998 10.668 8.244 414 HD11 LEU 52 1HD1 LEU 52 8.075 9.187 9.849 415 HD12 LEU 52 2HD1 LEU 52 6.451 8.611 9.467 416 HD13 LEU 52 3HD1 LEU 52 6.665 10.028 10.495 417 HD21 LEU 52 3HD2 LEU 52 8.869 11.393 8.853 418 HD22 LEU 52 1HD2 LEU 52 7.443 12.156 9.553 419 HD23 LEU 52 2HD2 LEU 52 7.765 12.308 7.827 420 H ILE 53 H ILE 53 5.371 8.922 4.772 421 HA ILE 53 HA ILE 53 3.426 11.093 5.110 422 HB ILE 53 HB ILE 53 3.236 8.632 3.354 423 HG12 ILE 53 1HG1 ILE 53 4.921 10.219 2.533 424 HG13 ILE 53 2HG1 ILE 53 3.514 10.200 1.473 425 HG21 ILE 53 1HG2 ILE 53 1.390 11.010 3.599 426 HG22 ILE 53 2HG2 ILE 53 1.032 9.350 4.067 427 HG23 ILE 53 3HG2 ILE 53 1.265 9.756 2.367 428 HD11 ILE 53 3HD1 ILE 53 4.153 12.295 3.544 429 HD12 ILE 53 1HD1 ILE 53 2.726 12.274 2.509 430 HD13 ILE 53 2HD1 ILE 53 4.329 12.459 1.796 431 H ASP 54 H ASP 54 3.706 7.547 5.513 432 HA ASP 54 HA ASP 54 2.258 7.602 7.969 433 HB2 ASP 54 1HB ASP 54 0.505 7.759 5.978 434 HB3 ASP 54 2HB ASP 54 0.793 6.025 5.885 435 H THR 55 H THR 55 1.817 5.296 8.720 436 HA THR 55 HA THR 55 3.527 3.272 7.538 437 HB THR 55 HB THR 55 4.573 2.867 9.894 438 HG1 THR 55 HG1 THR 55 3.679 5.546 10.056 439 HG21 THR 55 3HG2 THR 55 6.469 4.398 9.371 440 HG22 THR 55 1HG2 THR 55 5.485 5.125 8.106 441 HG23 THR 55 2HG2 THR 55 5.952 3.427 7.992 442 H SER 56 H SER 56 2.985 1.168 8.210 443 HA SER 56 HA SER 56 1.019 0.844 10.332 444 HB2 SER 56 1HB SER 56 -0.311 1.247 8.259 445 HB3 SER 56 2HB SER 56 0.476 -0.142 7.513 446 HG SER 56 HG SER 56 -1.641 -0.084 9.153 447 H THR 57 H THR 57 1.157 -1.155 11.322 448 HA THR 57 HA THR 57 2.980 -3.124 10.113 449 HB THR 57 HB THR 57 2.892 -2.466 13.074 450 HG1 THR 57 HG1 THR 57 3.824 -0.775 11.777 451 HG21 THR 57 3HG2 THR 57 4.805 -4.137 11.434 452 HG22 THR 57 1HG2 THR 57 3.569 -4.763 12.526 453 HG23 THR 57 2HG2 THR 57 4.922 -3.830 13.167 454 H PHE 58 H PHE 58 2.367 -5.268 10.326 455 HA PHE 58 HA PHE 58 -0.206 -5.733 11.702 456 HB2 PHE 58 1HB PHE 58 0.717 -6.873 9.057 457 HB3 PHE 58 2HB PHE 58 -0.733 -7.383 9.911 458 HD1 PHE 58 HD2 PHE 58 -2.675 -5.927 10.042 459 HD2 PHE 58 HD1 PHE 58 0.815 -4.767 7.899 460 HE1 PHE 58 HE2 PHE 58 -3.960 -4.157 8.913 461 HE2 PHE 58 HE1 PHE 58 -0.464 -2.995 6.766 462 HZ PHE 58 HZ PHE 58 -2.856 -2.689 7.275 463 H TYR 59 H TYR 59 -0.399 -7.545 12.923 464 HA TYR 59 HA TYR 59 1.805 -9.503 12.855 465 HB2 TYR 59 1HB TYR 59 0.528 -8.397 15.384 466 HB3 TYR 59 2HB TYR 59 1.737 -9.664 15.322 467 HD1 TYR 59 HD2 TYR 59 4.086 -9.093 14.738 468 HD2 TYR 59 HD1 TYR 59 1.108 -6.099 15.252 469 HE1 TYR 59 HE2 TYR 59 5.844 -7.388 14.991 470 HE2 TYR 59 HE1 TYR 59 2.851 -4.392 15.509 471 HH TYR 59 HH TYR 59 5.160 -4.201 16.086 472 H HIS 60 H HIS 60 1.079 -11.499 12.619 473 HA HIS 60 HA HIS 60 -0.875 -12.832 14.052 474 HB2 HIS 60 1HB HIS 60 -2.268 -11.084 12.498 475 HB3 HIS 60 2HB HIS 60 -2.102 -12.412 11.359 476 HD1 HIS 60 HD1 HIS 60 -3.007 -14.862 12.476 477 HD2 HIS 60 HD2 HIS 60 -4.465 -11.286 14.020 478 HE1 HIS 60 HE1 HIS 60 -5.055 -15.470 13.765 479 H HIS 61 H HIS 61 -0.087 -14.916 13.746 480 HA HIS 61 HA HIS 61 1.429 -15.379 11.338 481 HB2 HIS 61 1HB HIS 61 1.649 -17.774 12.249 482 HB3 HIS 61 2HB HIS 61 2.381 -16.491 13.195 483 HD1 HIS 61 HD1 HIS 61 -0.627 -18.795 13.210 484 HD2 HIS 61 HD2 HIS 61 1.497 -16.331 15.795 485 HE1 HIS 61 HE1 HIS 61 -1.557 -19.262 15.501 486 H ASP 62 H ASP 62 -0.228 -14.943 9.867 487 HA ASP 62 HA ASP 62 -1.696 -17.334 9.103 488 HB2 ASP 62 1HB ASP 62 -2.946 -14.724 9.805 489 HB3 ASP 62 2HB ASP 62 -3.606 -15.635 8.448 490 H GLU 63 H GLU 63 -1.273 -17.740 7.089 491 HA GLU 63 HA GLU 63 0.145 -15.991 5.388 492 HB2 GLU 63 1HB GLU 63 0.220 -18.419 5.272 493 HB3 GLU 63 2HB GLU 63 -1.457 -18.440 4.758 494 HG2 GLU 63 1HG GLU 63 -0.828 -17.259 2.706 495 HG3 GLU 63 2HG GLU 63 0.857 -17.276 3.229 496 H ASP 64 H ASP 64 -3.220 -17.175 5.103 497 HA ASP 64 HA ASP 64 -3.848 -15.508 2.892 498 HB2 ASP 64 1HB ASP 64 -5.031 -17.607 3.266 499 HB3 ASP 64 2HB ASP 64 -5.674 -16.996 4.787 500 H VAL 65 H VAL 65 -4.535 -15.302 6.291 501 HA VAL 65 HA VAL 65 -6.234 -13.036 6.221 502 HB VAL 65 HB VAL 65 -4.462 -13.913 8.519 503 HG11 VAL 65 1HG1 VAL 65 -5.138 -11.586 8.754 504 HG12 VAL 65 2HG1 VAL 65 -5.926 -12.607 9.958 505 HG13 VAL 65 3HG1 VAL 65 -6.827 -12.048 8.546 506 HG21 VAL 65 3HG2 VAL 65 -6.487 -14.925 9.427 507 HG22 VAL 65 1HG2 VAL 65 -6.064 -15.635 7.868 508 HG23 VAL 65 2HG2 VAL 65 -7.376 -14.456 7.978 509 H LEU 66 H LEU 66 -2.703 -13.261 6.624 510 HA LEU 66 HA LEU 66 -2.316 -10.581 7.322 511 HB2 LEU 66 1HB LEU 66 -0.688 -12.842 6.999 512 HB3 LEU 66 2HB LEU 66 -0.074 -11.671 5.851 513 HG LEU 66 HG LEU 66 1.098 -11.551 8.078 514 HD11 LEU 66 1HD1 LEU 66 1.109 -9.636 6.608 515 HD12 LEU 66 2HD1 LEU 66 0.993 -9.130 8.295 516 HD13 LEU 66 3HD1 LEU 66 -0.436 -9.098 7.266 517 HD21 LEU 66 3HD2 LEU 66 -0.883 -12.072 9.448 518 HD22 LEU 66 1HD2 LEU 66 -1.538 -10.480 9.071 519 HD23 LEU 66 2HD2 LEU 66 -0.036 -10.623 9.977 520 H PHE 67 H PHE 67 -1.792 -12.061 4.039 521 HA PHE 67 HA PHE 67 -1.298 -9.692 2.755 522 HB2 PHE 67 1HB PHE 67 -2.562 -12.217 1.690 523 HB3 PHE 67 2HB PHE 67 -2.035 -10.894 0.666 524 HD1 PHE 67 HD2 PHE 67 0.479 -10.102 1.244 525 HD2 PHE 67 HD1 PHE 67 -1.125 -13.990 1.891 526 HE1 PHE 67 HE2 PHE 67 2.752 -11.043 1.196 527 HE2 PHE 67 HE1 PHE 67 1.144 -14.939 1.845 528 HZ PHE 67 HZ PHE 67 3.088 -13.465 1.494 529 H ASN 68 H ASN 68 -4.488 -11.243 3.209 530 HA ASN 68 HA ASN 68 -6.038 -9.547 1.704 531 HB2 ASN 68 1HB ASN 68 -6.754 -11.649 2.920 532 HB3 ASN 68 2HB ASN 68 -6.852 -10.696 4.384 533 HD21 ASN 68 2HD2 ASN 68 -8.914 -12.175 3.052 534 HD22 ASN 68 1HD2 ASN 68 -10.169 -11.057 2.640 535 H MET 69 H MET 69 -4.957 -9.090 5.025 536 HA MET 69 HA MET 69 -6.510 -6.721 5.478 537 HB2 MET 69 1HB MET 69 -4.068 -7.743 6.930 538 HB3 MET 69 2HB MET 69 -5.028 -6.370 7.457 539 HG2 MET 69 1HG MET 69 -6.980 -7.887 7.654 540 HG3 MET 69 2HG MET 69 -5.915 -9.234 7.253 541 HE1 MET 69 3HE MET 69 -3.458 -9.318 10.284 542 HE2 MET 69 1HE MET 69 -3.206 -8.436 8.778 543 HE3 MET 69 2HE MET 69 -3.921 -10.043 8.745 544 H CYS 70 H CYS 70 -3.232 -7.346 4.414 545 HA CYS 70 HA CYS 70 -2.260 -4.707 4.689 546 HB2 CYS 70 1HB CYS 70 -1.221 -7.027 3.081 547 HB3 CYS 70 2HB CYS 70 -0.346 -5.522 3.338 548 HG CYS 70 HG CYS 70 -1.102 -7.940 5.608 549 H THR 71 H THR 71 -3.799 -6.325 1.873 550 HA THR 71 HA THR 71 -2.738 -4.409 0.056 551 HB THR 71 HB THR 71 -3.148 -6.679 -0.710 552 HG1 THR 71 HG1 THR 71 -4.533 -4.535 -1.886 553 HG21 THR 71 3HG2 THR 71 -5.442 -7.510 -1.055 554 HG22 THR 71 1HG2 THR 71 -6.072 -6.079 -0.240 555 HG23 THR 71 2HG2 THR 71 -5.097 -7.243 0.654 556 H ASP 72 H ASP 72 -5.721 -4.669 1.888 557 HA ASP 72 HA ASP 72 -7.373 -3.088 0.256 558 HB2 ASP 72 1HB ASP 72 -8.169 -4.522 2.123 559 HB3 ASP 72 2HB ASP 72 -7.532 -3.341 3.262 560 H TRP 73 H TRP 73 -5.599 -2.062 3.236 561 HA TRP 73 HA TRP 73 -6.222 0.560 3.210 562 HB2 TRP 73 1HB TRP 73 -5.095 -0.676 5.024 563 HB3 TRP 73 2HB TRP 73 -3.609 -0.667 4.089 564 HD1 TRP 73 HD1 TRP 73 -5.921 1.719 6.037 565 HE1 TRP 73 HE1 TRP 73 -4.559 3.808 6.697 566 HE3 TRP 73 HE3 TRP 73 -1.629 0.717 3.495 567 HZ2 TRP 73 HZ2 TRP 73 -1.994 4.866 6.217 568 HZ3 TRP 73 HZ3 TRP 73 0.247 2.306 3.646 569 HH2 TRP 73 HH2 TRP 73 0.060 4.341 4.976 570 H LEU 74 H LEU 74 -3.887 -0.977 1.113 571 HA LEU 74 HA LEU 74 -2.290 1.295 0.553 572 HB2 LEU 74 1HB LEU 74 -2.888 -1.158 -1.094 573 HB3 LEU 74 2HB LEU 74 -1.774 0.082 -1.620 574 HG LEU 74 HG LEU 74 -1.419 -1.534 0.916 575 HD11 LEU 74 1HD1 LEU 74 -0.195 -1.892 -1.825 576 HD12 LEU 74 2HD1 LEU 74 -1.281 -3.009 -1.004 577 HD13 LEU 74 3HD1 LEU 74 0.332 -2.718 -0.360 578 HD21 LEU 74 3HD2 LEU 74 0.446 0.292 -0.601 579 HD22 LEU 74 1HD2 LEU 74 0.858 -0.658 0.827 580 HD23 LEU 74 2HD2 LEU 74 -0.322 0.646 0.948 581 H ASN 75 H ASN 75 -5.222 0.083 -1.053 582 HA ASN 75 HA ASN 75 -5.169 2.154 -3.062 583 HB2 ASN 75 1HB ASN 75 -6.252 -0.140 -3.348 584 HB3 ASN 75 2HB ASN 75 -7.573 0.463 -2.353 585 HD21 ASN 75 2HD2 ASN 75 -9.109 0.389 -3.965 586 HD22 ASN 75 1HD2 ASN 75 -9.083 1.435 -5.340 587 H HIS 76 H HIS 76 -6.302 1.855 0.112 588 HA HIS 76 HA HIS 76 -8.486 3.565 0.235 589 HB2 HIS 76 1HB HIS 76 -8.282 2.398 2.178 590 HB3 HIS 76 2HB HIS 76 -6.531 2.440 2.149 591 HD1 HIS 76 HD1 HIS 76 -9.501 4.544 3.206 592 HD2 HIS 76 HD2 HIS 76 -5.386 4.300 3.790 593 HE1 HIS 76 HE1 HIS 76 -8.983 6.199 5.019 594 H MET 77 H MET 77 -5.040 4.390 0.476 595 HA MET 77 HA MET 77 -5.505 7.075 1.259 596 HB2 MET 77 1HB MET 77 -3.124 7.476 0.673 597 HB3 MET 77 2HB MET 77 -3.383 6.131 1.766 598 HG2 MET 77 1HG MET 77 -2.993 4.545 0.024 599 HG3 MET 77 2HG MET 77 -2.966 5.818 -1.195 600 HE1 MET 77 3HE MET 77 -1.086 4.251 1.900 601 HE2 MET 77 1HE MET 77 -1.434 5.912 2.384 602 HE3 MET 77 2HE MET 77 0.228 5.417 2.095 603 H TYR 78 H TYR 78 -5.302 5.572 -1.881 604 HA TYR 78 HA TYR 78 -4.697 7.823 -3.448 605 HB2 TYR 78 1HB TYR 78 -6.294 5.347 -4.083 606 HB3 TYR 78 2HB TYR 78 -5.892 6.563 -5.281 607 HD1 TYR 78 HD1 TYR 78 -4.459 4.075 -2.972 608 HD2 TYR 78 HD2 TYR 78 -3.764 6.592 -6.325 609 HE1 TYR 78 HE1 TYR 78 -2.340 2.922 -3.398 610 HE2 TYR 78 HE2 TYR 78 -1.652 5.449 -6.755 611 HH TYR 78 HH TYR 78 -0.799 2.530 -5.173 612 H ASP 79 H ASP 79 -7.794 6.587 -2.336 613 HA ASP 79 HA ASP 79 -9.441 8.175 -3.959 614 HB2 ASP 79 1HB ASP 79 -10.209 6.142 -2.845 615 HB3 ASP 79 2HB ASP 79 -10.056 6.932 -1.282 616 H GLN 80 H GLN 80 -7.869 8.949 -0.942 617 HA GLN 80 HA GLN 80 -9.628 11.184 -0.405 618 HB2 GLN 80 1HB GLN 80 -7.116 10.244 0.970 619 HB3 GLN 80 2HB GLN 80 -8.030 11.660 1.470 620 HG2 GLN 80 1HG GLN 80 -9.978 10.262 1.905 621 HG3 GLN 80 2HG GLN 80 -9.081 8.840 1.378 622 HE21 GLN 80 2HE2 GLN 80 -10.317 9.536 3.975 623 HE22 GLN 80 1HE2 GLN 80 -9.049 9.389 5.137 624 H LEU 81 H LEU 81 -6.359 10.738 -1.679 625 HA LEU 81 HA LEU 81 -5.783 13.572 -1.644 626 HB2 LEU 81 1HB LEU 81 -4.300 11.312 -2.986 627 HB3 LEU 81 2HB LEU 81 -3.720 12.957 -2.818 628 HG LEU 81 HG LEU 81 -4.242 11.046 -0.539 629 HD11 LEU 81 1HD1 LEU 81 -1.653 12.020 -1.744 630 HD12 LEU 81 2HD1 LEU 81 -2.310 10.389 -1.867 631 HD13 LEU 81 3HD1 LEU 81 -1.806 11.018 -0.300 632 HD21 LEU 81 3HD2 LEU 81 -3.109 13.843 -0.579 633 HD22 LEU 81 1HD2 LEU 81 -3.055 12.758 0.812 634 HD23 LEU 81 2HD2 LEU 81 -4.610 13.318 0.187 635 H LYS 82 H LYS 82 -7.340 11.457 -3.865 636 HA LYS 82 HA LYS 82 -6.733 12.756 -6.271 637 HB2 LYS 82 1HB LYS 82 -9.143 11.150 -5.438 638 HB3 LYS 82 2HB LYS 82 -8.896 11.739 -7.075 639 HG2 LYS 82 1HG LYS 82 -6.856 10.442 -7.264 640 HG3 LYS 82 2HG LYS 82 -7.030 9.894 -5.595 641 HD2 LYS 82 1HD LYS 82 -9.141 8.798 -6.186 642 HD3 LYS 82 2HD LYS 82 -8.951 9.343 -7.853 643 HE2 LYS 82 1HE LYS 82 -6.900 8.039 -8.050 644 HE3 LYS 82 2HE LYS 82 -7.059 7.526 -6.375 645 HZ1 LYS 82 3HZ LYS 82 -7.854 5.852 -7.958 646 HZ2 LYS 82 1HZ LYS 82 -9.027 6.932 -8.517 647 HZ3 LYS 82 2HZ LYS 82 -9.082 6.372 -6.925 648 H ASP 83 H ASP 83 -9.102 13.462 -3.789 649 HA ASP 83 HA ASP 83 -10.694 15.261 -5.265 650 HB2 ASP 83 1HB ASP 83 -10.197 15.029 -2.302 651 HB3 ASP 83 2HB ASP 83 -11.349 16.163 -2.998 652 H TRP 84 H TRP 84 -7.741 15.717 -3.417 653 HA TRP 84 HA TRP 84 -7.579 18.410 -4.528 654 HB2 TRP 84 1HB TRP 84 -6.640 19.253 -2.378 655 HB3 TRP 84 2HB TRP 84 -8.329 18.783 -2.271 656 HD1 TRP 84 HD1 TRP 84 -8.732 16.262 -1.080 657 HE1 TRP 84 HE1 TRP 84 -7.497 15.243 0.930 658 HE3 TRP 84 HE3 TRP 84 -4.539 19.177 -1.156 659 HZ2 TRP 84 HZ2 TRP 84 -5.059 15.632 2.312 660 HZ3 TRP 84 HZ3 TRP 84 -2.807 18.798 0.546 661 HH2 TRP 84 HH2 TRP 84 -3.062 17.063 2.243 662 H LYS 85 H LYS 85 -6.026 18.018 -6.010 663 HA LYS 85 HA LYS 85 -3.578 16.713 -5.080 664 HB2 LYS 85 1HB LYS 85 -4.724 15.724 -7.039 665 HB3 LYS 85 2HB LYS 85 -4.531 17.244 -7.895 666 HG2 LYS 85 1HG LYS 85 -2.133 16.998 -7.890 667 HG3 LYS 85 2HG LYS 85 -2.251 15.549 -6.889 668 HD2 LYS 85 1HD LYS 85 -1.902 14.883 -9.179 669 HD3 LYS 85 2HD LYS 85 -3.549 14.462 -8.707 670 HE2 LYS 85 1HE LYS 85 -4.389 16.463 -9.824 671 HE3 LYS 85 2HE LYS 85 -2.745 16.910 -10.276 672 HZ1 LYS 85 3HZ LYS 85 -2.605 14.866 -11.577 673 HZ2 LYS 85 1HZ LYS 85 -3.888 15.838 -12.102 674 HZ3 LYS 85 2HZ LYS 85 -4.191 14.470 -11.154 Start of MODEL 7 1 HA MET 1 HA MET 1 6.622 -8.312 -7.189 2 HB2 MET 1 1HB MET 1 5.250 -5.657 -7.679 3 HB3 MET 1 2HB MET 1 4.622 -6.931 -6.644 4 HG2 MET 1 1HG MET 1 6.617 -6.725 -5.219 5 HG3 MET 1 2HG MET 1 7.185 -5.403 -6.236 6 HE1 MET 1 3HE MET 1 4.635 -3.730 -6.897 7 HE2 MET 1 1HE MET 1 6.128 -3.010 -6.302 8 HE3 MET 1 2HE MET 1 4.589 -2.593 -5.549 9 H GLY 2 H GLY 2 5.583 -6.452 -10.020 10 HA2 GLY 2 1HA GLY 2 3.589 -8.460 -10.706 11 HA3 GLY 2 2HA GLY 2 3.896 -6.953 -11.562 12 H ARG 3 H ARG 3 6.849 -8.115 -11.142 13 HA ARG 3 HA ARG 3 7.225 -8.936 -13.819 14 HB2 ARG 3 1HB ARG 3 8.996 -7.922 -12.427 15 HB3 ARG 3 2HB ARG 3 9.019 -9.363 -11.422 16 HG2 ARG 3 1HG ARG 3 9.745 -10.687 -13.355 17 HG3 ARG 3 2HG ARG 3 9.752 -9.225 -14.341 18 HD2 ARG 3 1HD ARG 3 11.415 -9.675 -11.866 19 HD3 ARG 3 2HD ARG 3 11.994 -9.818 -13.526 20 HE ARG 3 HE ARG 3 10.849 -7.287 -13.210 21 HH11 ARG 3 1HH2 ARG 3 13.658 -9.087 -12.102 22 HH12 ARG 3 2HH2 ARG 3 14.621 -7.675 -11.855 23 HH21 ARG 3 1HH1 ARG 3 12.109 -5.424 -12.875 24 HH22 ARG 3 2HH1 ARG 3 13.736 -5.568 -12.302 25 H LEU 4 H LEU 4 6.908 -10.699 -10.797 26 HA LEU 4 HA LEU 4 7.092 -13.258 -12.206 27 HB2 LEU 4 1HB LEU 4 6.929 -12.704 -9.242 28 HB3 LEU 4 2HB LEU 4 7.260 -14.253 -9.990 29 HG LEU 4 HG LEU 4 9.060 -11.833 -10.039 30 HD11 LEU 4 1HD1 LEU 4 9.000 -12.906 -7.870 31 HD12 LEU 4 2HD1 LEU 4 10.544 -13.206 -8.664 32 HD13 LEU 4 3HD1 LEU 4 9.318 -14.472 -8.616 33 HD21 LEU 4 3HD2 LEU 4 9.417 -14.572 -11.239 34 HD22 LEU 4 1HD2 LEU 4 10.704 -13.379 -11.061 35 HD23 LEU 4 2HD2 LEU 4 9.321 -13.036 -12.097 36 H TYR 5 H TYR 5 5.422 -14.822 -11.998 37 HA TYR 5 HA TYR 5 2.823 -13.664 -11.283 38 HB2 TYR 5 1HB TYR 5 1.848 -15.494 -12.727 39 HB3 TYR 5 2HB TYR 5 2.794 -14.285 -13.578 40 HD1 TYR 5 HD2 TYR 5 4.986 -14.863 -14.509 41 HD2 TYR 5 HD1 TYR 5 2.558 -17.798 -12.624 42 HE1 TYR 5 HE2 TYR 5 6.334 -16.632 -15.543 43 HE2 TYR 5 HE1 TYR 5 3.901 -19.580 -13.661 44 HH TYR 5 HH TYR 5 6.883 -18.965 -15.210 45 H SER 6 H SER 6 1.505 -14.597 -9.800 46 HA SER 6 HA SER 6 2.240 -17.137 -8.572 47 HB2 SER 6 1HB SER 6 2.102 -14.678 -6.825 48 HB3 SER 6 2HB SER 6 2.739 -16.270 -6.428 49 HG SER 6 HG SER 6 4.595 -15.734 -7.235 50 H GLY 7 H GLY 7 0.570 -17.884 -7.063 51 HA2 GLY 7 1HA GLY 7 -2.062 -16.701 -7.594 52 HA3 GLY 7 2HA GLY 7 -1.759 -18.255 -6.823 53 H ASN 8 H ASN 8 0.245 -16.872 -5.318 54 HA ASN 8 HA ASN 8 -1.358 -16.127 -2.994 55 HB2 ASN 8 1HB ASN 8 1.625 -16.288 -3.337 56 HB3 ASN 8 2HB ASN 8 0.936 -15.518 -1.912 57 HD21 ASN 8 2HD2 ASN 8 2.544 -17.906 -2.061 58 HD22 ASN 8 1HD2 ASN 8 1.592 -19.181 -1.390 59 H LEU 9 H LEU 9 1.465 -14.191 -3.922 60 HA LEU 9 HA LEU 9 0.344 -11.736 -3.388 61 HB2 LEU 9 1HB LEU 9 2.577 -12.466 -5.261 62 HB3 LEU 9 2HB LEU 9 2.190 -10.820 -4.811 63 HG LEU 9 HG LEU 9 3.037 -12.971 -2.877 64 HD11 LEU 9 1HD1 LEU 9 5.170 -11.764 -2.803 65 HD12 LEU 9 2HD1 LEU 9 4.600 -10.694 -4.087 66 HD13 LEU 9 3HD1 LEU 9 4.836 -12.410 -4.411 67 HD21 LEU 9 3HD2 LEU 9 1.644 -11.246 -1.867 68 HD22 LEU 9 1HD2 LEU 9 2.688 -9.994 -2.541 69 HD23 LEU 9 2HD2 LEU 9 3.313 -11.104 -1.318 70 H ALA 10 H ALA 10 -1.132 -13.503 -5.592 71 HA ALA 10 HA ALA 10 -1.039 -12.229 -8.059 72 HB1 ALA 10 3HB ALA 10 -2.198 -14.362 -7.606 73 HB2 ALA 10 1HB ALA 10 -3.181 -13.224 -8.530 74 HB3 ALA 10 2HB ALA 10 -3.489 -13.460 -6.812 75 H ALA 11 H ALA 11 -3.373 -11.542 -5.422 76 HA ALA 11 HA ALA 11 -4.574 -9.338 -6.761 77 HB1 ALA 11 3HB ALA 11 -5.626 -8.838 -4.613 78 HB2 ALA 11 1HB ALA 11 -4.529 -9.957 -3.807 79 HB3 ALA 11 2HB ALA 11 -5.710 -10.564 -4.969 80 H PHE 12 H PHE 12 -2.103 -9.644 -4.453 81 HA PHE 12 HA PHE 12 -1.546 -6.997 -3.743 82 HB2 PHE 12 1HB PHE 12 -0.485 -8.991 -2.686 83 HB3 PHE 12 2HB PHE 12 0.542 -9.161 -4.102 84 HD1 PHE 12 HD1 PHE 12 -0.149 -7.204 -1.092 85 HD2 PHE 12 HD2 PHE 12 2.400 -7.656 -4.473 86 HE1 PHE 12 HE1 PHE 12 1.489 -5.687 -0.059 87 HE2 PHE 12 HE2 PHE 12 4.039 -6.144 -3.442 88 HZ PHE 12 HZ PHE 12 3.587 -5.157 -1.233 89 H LYS 13 H LYS 13 -0.215 -8.829 -6.511 90 HA LYS 13 HA LYS 13 1.584 -7.037 -7.543 91 HB2 LYS 13 1HB LYS 13 -0.275 -8.890 -9.033 92 HB3 LYS 13 2HB LYS 13 1.193 -8.177 -9.688 93 HG2 LYS 13 1HG LYS 13 2.538 -9.407 -8.116 94 HG3 LYS 13 2HG LYS 13 1.089 -10.039 -7.330 95 HD2 LYS 13 1HD LYS 13 0.464 -11.070 -9.537 96 HD3 LYS 13 2HD LYS 13 2.062 -10.606 -10.124 97 HE2 LYS 13 1HE LYS 13 1.554 -12.345 -7.715 98 HE3 LYS 13 2HE LYS 13 1.936 -12.949 -9.324 99 HZ1 LYS 13 3HZ LYS 13 3.880 -12.857 -7.889 100 HZ2 LYS 13 1HZ LYS 13 3.691 -11.178 -7.715 101 HZ3 LYS 13 2HZ LYS 13 4.041 -11.839 -9.235 102 H ALA 14 H ALA 14 -1.931 -6.989 -7.897 103 HA ALA 14 HA ALA 14 -2.158 -5.402 -10.188 104 HB1 ALA 14 3HB ALA 14 -4.076 -5.548 -7.873 105 HB2 ALA 14 1HB ALA 14 -4.013 -6.669 -9.233 106 HB3 ALA 14 2HB ALA 14 -4.446 -4.983 -9.503 107 H ALA 15 H ALA 15 -1.500 -4.441 -6.908 108 HA ALA 15 HA ALA 15 -2.276 -1.722 -7.117 109 HB1 ALA 15 3HB ALA 15 -2.006 -2.886 -4.973 110 HB2 ALA 15 1HB ALA 15 -1.071 -1.392 -5.041 111 HB3 ALA 15 2HB ALA 15 -0.263 -2.948 -5.236 112 H THR 16 H THR 16 0.491 -3.388 -8.214 113 HA THR 16 HA THR 16 2.532 -1.487 -8.017 114 HB THR 16 HB THR 16 2.214 -3.425 -10.316 115 HG1 THR 16 HG1 THR 16 2.069 -4.735 -8.591 116 HG21 THR 16 3HG2 THR 16 4.064 -1.822 -10.552 117 HG22 THR 16 1HG2 THR 16 4.672 -3.454 -10.282 118 HG23 THR 16 2HG2 THR 16 4.671 -2.284 -8.962 119 H ASN 17 H ASN 17 0.257 -1.983 -10.711 120 HA ASN 17 HA ASN 17 1.394 -0.013 -12.407 121 HB2 ASN 17 1HB ASN 17 -0.052 -1.930 -13.132 122 HB3 ASN 17 2HB ASN 17 -1.437 -1.080 -12.466 123 HD21 ASN 17 2HD2 ASN 17 -0.799 -1.955 -15.198 124 HD22 ASN 17 1HD2 ASN 17 -0.928 -0.546 -16.188 125 H LYS 18 H LYS 18 -0.967 0.190 -9.805 126 HA LYS 18 HA LYS 18 -2.214 2.579 -10.757 127 HB2 LYS 18 1HB LYS 18 -2.410 1.157 -8.107 128 HB3 LYS 18 2HB LYS 18 -3.398 2.528 -8.585 129 HG2 LYS 18 1HG LYS 18 -3.355 -0.192 -9.885 130 HG3 LYS 18 2HG LYS 18 -4.638 0.473 -8.873 131 HD2 LYS 18 1HD LYS 18 -3.748 1.682 -11.499 132 HD3 LYS 18 2HD LYS 18 -5.095 0.562 -11.329 133 HE2 LYS 18 1HE LYS 18 -6.239 2.122 -9.854 134 HE3 LYS 18 2HE LYS 18 -4.870 3.230 -9.935 135 HZ1 LYS 18 3HZ LYS 18 -6.482 2.401 -12.289 136 HZ2 LYS 18 1HZ LYS 18 -5.276 3.585 -12.248 137 HZ3 LYS 18 2HZ LYS 18 -6.727 3.832 -11.426 138 H LEU 19 H LEU 19 0.351 1.764 -8.551 139 HA LEU 19 HA LEU 19 0.480 4.012 -6.937 140 HB2 LEU 19 1HB LEU 19 2.698 2.255 -7.980 141 HB3 LEU 19 2HB LEU 19 2.921 3.448 -6.719 142 HG LEU 19 HG LEU 19 1.019 1.114 -6.488 143 HD11 LEU 19 1HD1 LEU 19 3.321 0.318 -6.732 144 HD12 LEU 19 2HD1 LEU 19 2.718 0.065 -5.096 145 HD13 LEU 19 3HD1 LEU 19 3.832 1.390 -5.428 146 HD21 LEU 19 3HD2 LEU 19 1.115 1.641 -4.099 147 HD22 LEU 19 1HD2 LEU 19 0.497 3.004 -5.033 148 HD23 LEU 19 2HD2 LEU 19 2.159 3.019 -4.445 149 H PHE 20 H PHE 20 1.787 3.559 -10.183 150 HA PHE 20 HA PHE 20 3.465 5.811 -10.279 151 HB2 PHE 20 1HB PHE 20 1.963 4.479 -12.543 152 HB3 PHE 20 2HB PHE 20 3.285 5.621 -12.735 153 HD1 PHE 20 HD2 PHE 20 5.528 4.964 -11.587 154 HD2 PHE 20 HD1 PHE 20 2.406 2.217 -12.488 155 HE1 PHE 20 HE2 PHE 20 7.139 3.106 -11.498 156 HE2 PHE 20 HE1 PHE 20 4.011 0.354 -12.401 157 HZ PHE 20 HZ PHE 20 6.382 0.798 -11.907 158 H GLN 21 H GLN 21 0.030 5.451 -10.763 159 HA GLN 21 HA GLN 21 -0.376 8.038 -11.940 160 HB2 GLN 21 1HB GLN 21 -2.300 6.013 -10.797 161 HB3 GLN 21 2HB GLN 21 -2.785 7.479 -11.639 162 HG2 GLN 21 1HG GLN 21 -1.728 6.714 -13.669 163 HG3 GLN 21 2HG GLN 21 -1.102 5.292 -12.838 164 HE21 GLN 21 2HE2 GLN 21 -2.846 5.511 -15.166 165 HE22 GLN 21 1HE2 GLN 21 -4.282 4.632 -14.766 166 H LEU 22 H LEU 22 0.232 7.034 -8.919 167 HA LEU 22 HA LEU 22 -1.200 9.348 -7.694 168 HB2 LEU 22 1HB LEU 22 -1.813 7.081 -6.801 169 HB3 LEU 22 2HB LEU 22 -0.178 6.939 -6.189 170 HG LEU 22 HG LEU 22 -0.546 8.797 -4.661 171 HD11 LEU 22 1HD1 LEU 22 -2.813 9.762 -4.441 172 HD12 LEU 22 2HD1 LEU 22 -3.296 8.902 -5.902 173 HD13 LEU 22 3HD1 LEU 22 -2.052 10.151 -5.981 174 HD21 LEU 22 3HD2 LEU 22 -2.782 6.773 -4.572 175 HD22 LEU 22 1HD2 LEU 22 -2.210 7.745 -3.217 176 HD23 LEU 22 2HD2 LEU 22 -1.152 6.535 -3.944 177 H ASP 23 H ASP 23 1.656 8.116 -8.484 178 HA ASP 23 HA ASP 23 3.832 9.103 -8.651 179 HB2 ASP 23 1HB ASP 23 2.470 11.484 -7.360 180 HB3 ASP 23 2HB ASP 23 4.105 11.491 -8.000 181 H LEU 24 H LEU 24 3.548 7.327 -6.619 182 HA LEU 24 HA LEU 24 5.330 8.448 -4.656 183 HB2 LEU 24 1HB LEU 24 3.985 7.429 -2.734 184 HB3 LEU 24 2HB LEU 24 3.474 8.965 -3.392 185 HG LEU 24 HG LEU 24 1.698 7.759 -4.676 186 HD11 LEU 24 1HD1 LEU 24 2.568 5.412 -2.995 187 HD12 LEU 24 2HD1 LEU 24 2.671 5.535 -4.752 188 HD13 LEU 24 3HD1 LEU 24 1.095 5.493 -3.959 189 HD21 LEU 24 3HD2 LEU 24 1.681 7.455 -1.678 190 HD22 LEU 24 1HD2 LEU 24 0.261 7.414 -2.720 191 HD23 LEU 24 2HD2 LEU 24 1.214 8.891 -2.589 192 H ALA 25 H ALA 25 5.975 6.707 -2.986 193 HA ALA 25 HA ALA 25 6.409 4.199 -4.466 194 HB1 ALA 25 3HB ALA 25 8.644 4.092 -3.530 195 HB2 ALA 25 1HB ALA 25 8.360 5.580 -2.625 196 HB3 ALA 25 2HB ALA 25 8.429 5.620 -4.385 197 H VAL 26 H VAL 26 7.521 2.597 -2.662 198 HA VAL 26 HA VAL 26 6.125 2.694 -0.178 199 HB VAL 26 HB VAL 26 4.306 1.725 -1.436 200 HG11 VAL 26 1HG1 VAL 26 5.507 0.935 -3.389 201 HG12 VAL 26 2HG1 VAL 26 4.471 -0.325 -2.710 202 HG13 VAL 26 3HG1 VAL 26 6.216 -0.374 -2.435 203 HG21 VAL 26 3HG2 VAL 26 4.656 0.770 0.768 204 HG22 VAL 26 1HG2 VAL 26 5.727 -0.454 0.086 205 HG23 VAL 26 2HG2 VAL 26 4.015 -0.443 -0.340 206 H ILE 27 H ILE 27 6.999 1.344 1.357 207 HA ILE 27 HA ILE 27 9.261 -0.344 0.591 208 HB ILE 27 HB ILE 27 10.702 0.618 2.436 209 HG12 ILE 27 1HG1 ILE 27 8.794 2.955 2.211 210 HG13 ILE 27 2HG1 ILE 27 8.909 1.873 3.592 211 HG21 ILE 27 1HG2 ILE 27 10.087 2.373 0.067 212 HG22 ILE 27 2HG2 ILE 27 11.233 1.032 0.121 213 HG23 ILE 27 3HG2 ILE 27 11.535 2.492 1.065 214 HD11 ILE 27 3HD1 ILE 27 10.063 3.964 4.011 215 HD12 ILE 27 1HD1 ILE 27 11.074 3.708 2.589 216 HD13 ILE 27 2HD1 ILE 27 11.208 2.621 3.971 217 H TYR 28 H TYR 28 9.527 -2.099 1.819 218 HA TYR 28 HA TYR 28 7.761 -2.381 4.159 219 HB2 TYR 28 1HB TYR 28 7.757 -4.818 3.625 220 HB3 TYR 28 2HB TYR 28 7.039 -3.826 2.357 221 HD1 TYR 28 HD2 TYR 28 8.184 -3.541 0.207 222 HD2 TYR 28 HD1 TYR 28 9.837 -6.017 3.250 223 HE1 TYR 28 HE2 TYR 28 9.719 -4.529 -1.439 224 HE2 TYR 28 HE1 TYR 28 11.381 -7.009 1.611 225 HH TYR 28 HH TYR 28 11.811 -5.679 -1.534 226 H ASP 29 H ASP 29 8.493 -3.601 5.917 227 HA ASP 29 HA ASP 29 11.393 -4.071 6.005 228 HB2 ASP 29 1HB ASP 29 9.676 -2.710 8.063 229 HB3 ASP 29 2HB ASP 29 11.177 -3.507 8.515 230 H ASP 30 H ASP 30 11.971 -5.999 6.561 231 HA ASP 30 HA ASP 30 10.607 -7.530 8.540 232 HB2 ASP 30 1HB ASP 30 9.784 -9.339 7.288 233 HB3 ASP 30 2HB ASP 30 9.352 -7.961 6.287 234 H TRP 31 H TRP 31 12.117 -8.713 9.607 235 HA TRP 31 HA TRP 31 14.385 -9.859 8.261 236 HB2 TRP 31 1HB TRP 31 14.908 -7.349 8.555 237 HB3 TRP 31 2HB TRP 31 15.031 -7.697 10.272 238 HD1 TRP 31 HD1 TRP 31 16.716 -8.673 6.936 239 HE1 TRP 31 HE1 TRP 31 19.159 -9.322 7.417 240 HE3 TRP 31 HE3 TRP 31 16.637 -8.385 12.040 241 HZ2 TRP 31 HZ2 TRP 31 20.827 -9.665 9.667 242 HZ3 TRP 31 HZ3 TRP 31 18.699 -8.888 13.279 243 HH2 TRP 31 HH2 TRP 31 20.746 -9.514 12.119 244 H TYR 32 H TYR 32 12.138 -10.000 10.561 245 HA TYR 32 HA TYR 32 13.790 -11.039 12.709 246 HB2 TYR 32 1HB TYR 32 10.807 -10.604 12.531 247 HB3 TYR 32 2HB TYR 32 11.648 -11.226 13.946 248 HD1 TYR 32 HD2 TYR 32 13.132 -9.770 15.251 249 HD2 TYR 32 HD1 TYR 32 10.897 -8.263 11.963 250 HE1 TYR 32 HE2 TYR 32 13.537 -7.476 16.037 251 HE2 TYR 32 HE1 TYR 32 11.295 -5.965 12.735 252 HH TYR 32 HH TYR 32 13.594 -5.202 15.108 253 H ASP 33 H ASP 33 13.344 -13.093 13.694 254 HA ASP 33 HA ASP 33 12.973 -15.154 11.705 255 HB2 ASP 33 1HB ASP 33 13.732 -16.705 13.464 256 HB3 ASP 33 2HB ASP 33 14.833 -15.345 13.296 257 H ALA 34 H ALA 34 12.034 -17.111 13.653 258 HA ALA 34 HA ALA 34 9.471 -16.624 14.567 259 HB1 ALA 34 3HB ALA 34 8.024 -17.484 12.774 260 HB2 ALA 34 1HB ALA 34 9.417 -17.580 11.699 261 HB3 ALA 34 2HB ALA 34 8.860 -16.011 12.282 262 H TYR 35 H TYR 35 10.696 -18.114 15.962 263 HA TYR 35 HA TYR 35 11.164 -20.785 15.145 264 HB2 TYR 35 1HB TYR 35 12.354 -19.792 17.054 265 HB3 TYR 35 2HB TYR 35 10.841 -19.681 17.947 266 HD1 TYR 35 HD1 TYR 35 13.007 -22.201 16.239 267 HD2 TYR 35 HD2 TYR 35 10.284 -21.411 19.411 268 HE1 TYR 35 HE1 TYR 35 13.396 -24.457 17.128 269 HE2 TYR 35 HE2 TYR 35 10.670 -23.673 20.305 270 HH TYR 35 HH TYR 35 11.455 -25.821 19.622 271 H THR 36 H THR 36 8.482 -19.301 17.077 272 HA THR 36 HA THR 36 6.956 -21.737 16.651 273 HB THR 36 HB THR 36 5.470 -20.605 18.413 274 HG1 THR 36 HG1 THR 36 6.611 -19.039 19.678 275 HG21 THR 36 3HG2 THR 36 8.286 -21.461 19.089 276 HG22 THR 36 1HG2 THR 36 6.875 -22.507 18.956 277 HG23 THR 36 2HG2 THR 36 6.973 -21.322 20.259 278 H ARG 37 H ARG 37 7.378 -19.560 14.635 279 HA ARG 37 HA ARG 37 6.187 -18.536 12.970 280 HB2 ARG 37 1HB ARG 37 3.735 -19.737 14.282 281 HB3 ARG 37 2HB ARG 37 3.787 -19.006 12.690 282 HG2 ARG 37 1HG ARG 37 5.282 -20.774 11.921 283 HG3 ARG 37 2HG ARG 37 5.251 -21.498 13.531 284 HD2 ARG 37 1HD ARG 37 2.852 -21.099 11.740 285 HD3 ARG 37 2HD ARG 37 3.707 -22.623 11.977 286 HE ARG 37 HE ARG 37 2.924 -21.653 14.485 287 HH11 ARG 37 1HH2 ARG 37 1.475 -22.964 11.574 288 HH12 ARG 37 2HH2 ARG 37 0.057 -23.538 12.376 289 HH21 ARG 37 1HH1 ARG 37 1.041 -22.412 15.561 290 HH22 ARG 37 2HH1 ARG 37 -0.193 -23.227 14.666 291 H LYS 38 H LYS 38 6.630 -16.432 13.560 292 HA LYS 38 HA LYS 38 4.721 -15.129 15.362 293 HB2 LYS 38 1HB LYS 38 7.164 -14.880 15.834 294 HB3 LYS 38 2HB LYS 38 7.337 -14.044 14.300 295 HG2 LYS 38 1HG LYS 38 7.242 -12.467 16.154 296 HG3 LYS 38 2HG LYS 38 5.854 -12.267 15.084 297 HD2 LYS 38 1HD LYS 38 5.151 -12.151 17.408 298 HD3 LYS 38 2HD LYS 38 4.482 -13.593 16.647 299 HE2 LYS 38 1HE LYS 38 6.276 -14.939 17.657 300 HE3 LYS 38 2HE LYS 38 6.921 -13.488 18.421 301 HZ1 LYS 38 3HZ LYS 38 4.209 -14.591 18.891 302 HZ2 LYS 38 1HZ LYS 38 4.904 -13.269 19.684 303 HZ3 LYS 38 2HZ LYS 38 5.532 -14.824 19.918 304 H ASP 39 H ASP 39 6.476 -14.329 12.371 305 HA ASP 39 HA ASP 39 5.900 -13.356 10.434 306 HB2 ASP 39 1HB ASP 39 3.138 -14.233 11.254 307 HB3 ASP 39 2HB ASP 39 3.465 -13.428 9.723 308 H CYS 40 H CYS 40 6.593 -11.345 10.764 309 HA CYS 40 HA CYS 40 4.528 -9.345 11.312 310 HB2 CYS 40 1HB CYS 40 6.317 -7.983 12.475 311 HB3 CYS 40 2HB CYS 40 5.757 -9.404 13.349 312 HG CYS 40 HG CYS 40 8.573 -9.578 11.439 313 H ILE 41 H ILE 41 4.434 -7.759 9.863 314 HA ILE 41 HA ILE 41 6.705 -7.253 8.063 315 HB ILE 41 HB ILE 41 3.875 -7.818 7.118 316 HG12 ILE 41 1HG1 ILE 41 6.460 -9.237 6.429 317 HG13 ILE 41 2HG1 ILE 41 5.282 -9.822 7.600 318 HG21 ILE 41 1HG2 ILE 41 4.717 -7.397 4.842 319 HG22 ILE 41 2HG2 ILE 41 6.260 -6.874 5.522 320 HG23 ILE 41 3HG2 ILE 41 4.791 -5.957 5.859 321 HD11 ILE 41 3HD1 ILE 41 4.807 -9.417 4.655 322 HD12 ILE 41 1HD1 ILE 41 3.616 -10.003 5.818 323 HD13 ILE 41 2HD1 ILE 41 5.056 -10.961 5.469 324 H ARG 42 H ARG 42 7.057 -5.058 7.961 325 HA ARG 42 HA ARG 42 4.795 -3.317 8.697 326 HB2 ARG 42 1HB ARG 42 7.758 -2.725 8.706 327 HB3 ARG 42 2HB ARG 42 6.496 -1.598 9.177 328 HG2 ARG 42 1HG ARG 42 5.884 -3.045 11.033 329 HG3 ARG 42 2HG ARG 42 7.139 -4.197 10.559 330 HD2 ARG 42 1HD ARG 42 7.997 -2.850 12.339 331 HD3 ARG 42 2HD ARG 42 8.805 -2.362 10.851 332 HE ARG 42 HE ARG 42 6.479 -0.860 11.828 333 HH11 ARG 42 1HH2 ARG 42 9.872 -0.959 10.934 334 HH12 ARG 42 2HH2 ARG 42 10.125 0.731 11.151 335 HH21 ARG 42 1HH1 ARG 42 6.811 1.401 12.133 336 HH22 ARG 42 2HH1 ARG 42 8.368 2.093 11.836 337 H LEU 43 H LEU 43 3.899 -2.030 7.198 338 HA LEU 43 HA LEU 43 5.334 -1.643 4.654 339 HB2 LEU 43 1HB LEU 43 3.054 -2.797 4.761 340 HB3 LEU 43 2HB LEU 43 2.395 -1.241 5.216 341 HG LEU 43 HG LEU 43 3.303 -0.349 3.020 342 HD11 LEU 43 1HD1 LEU 43 3.640 -3.300 2.496 343 HD12 LEU 43 2HD1 LEU 43 4.922 -2.086 2.551 344 HD13 LEU 43 3HD1 LEU 43 3.711 -2.035 1.269 345 HD21 LEU 43 3HD2 LEU 43 1.434 -1.257 1.723 346 HD22 LEU 43 1HD2 LEU 43 0.937 -0.836 3.361 347 HD23 LEU 43 2HD2 LEU 43 1.208 -2.524 2.929 348 H ARG 44 H ARG 44 6.388 0.301 4.675 349 HA ARG 44 HA ARG 44 5.065 2.605 5.938 350 HB2 ARG 44 1HB ARG 44 7.222 1.963 6.878 351 HB3 ARG 44 2HB ARG 44 7.974 2.092 5.300 352 HG2 ARG 44 1HG ARG 44 7.554 4.496 5.300 353 HG3 ARG 44 2HG ARG 44 6.780 4.358 6.882 354 HD2 ARG 44 1HD ARG 44 8.861 3.560 7.859 355 HD3 ARG 44 2HD ARG 44 9.641 3.596 6.278 356 HE ARG 44 HE ARG 44 9.122 6.081 6.378 357 HH11 ARG 44 1HH2 ARG 44 9.930 4.149 9.196 358 HH12 ARG 44 2HH2 ARG 44 10.510 5.502 10.105 359 HH21 ARG 44 1HH1 ARG 44 9.891 7.862 7.580 360 HH22 ARG 44 2HH1 ARG 44 10.494 7.610 9.194 361 H ILE 45 H ILE 45 4.332 4.237 4.724 362 HA ILE 45 HA ILE 45 5.217 4.477 1.923 363 HB ILE 45 HB ILE 45 2.765 5.644 3.271 364 HG12 ILE 45 1HG1 ILE 45 2.629 3.194 3.093 365 HG13 ILE 45 2HG1 ILE 45 1.472 3.978 2.028 366 HG21 ILE 45 1HG2 ILE 45 3.510 7.002 1.394 367 HG22 ILE 45 2HG2 ILE 45 2.004 6.176 0.996 368 HG23 ILE 45 3HG2 ILE 45 3.535 5.580 0.353 369 HD11 ILE 45 3HD1 ILE 45 2.512 2.082 0.945 370 HD12 ILE 45 1HD1 ILE 45 4.108 2.785 1.208 371 HD13 ILE 45 2HD1 ILE 45 2.959 3.584 0.135 372 H GLU 46 H GLU 46 6.438 6.225 1.322 373 HA GLU 46 HA GLU 46 6.159 8.746 2.714 374 HB2 GLU 46 1HB GLU 46 8.778 7.262 2.634 375 HB3 GLU 46 2HB GLU 46 8.670 8.994 2.881 376 HG2 GLU 46 1HG GLU 46 7.330 8.590 4.899 377 HG3 GLU 46 2HG GLU 46 7.519 6.858 4.645 378 H ASP 47 H ASP 47 7.476 10.456 1.695 379 HA ASP 47 HA ASP 47 7.360 10.222 -1.203 380 HB2 ASP 47 1HB ASP 47 6.301 12.166 -0.194 381 HB3 ASP 47 2HB ASP 47 7.789 12.575 0.649 382 H ARG 48 H ARG 48 9.166 11.406 -2.384 383 HA ARG 48 HA ARG 48 11.709 10.262 -1.450 384 HB2 ARG 48 1HB ARG 48 12.524 10.299 -3.677 385 HB3 ARG 48 2HB ARG 48 10.879 9.695 -3.749 386 HG2 ARG 48 1HG ARG 48 11.547 12.578 -4.286 387 HG3 ARG 48 2HG ARG 48 11.615 11.348 -5.546 388 HD2 ARG 48 1HD ARG 48 9.243 10.814 -5.072 389 HD3 ARG 48 2HD ARG 48 9.209 12.141 -3.912 390 HE ARG 48 HE ARG 48 9.798 13.600 -5.856 391 HH11 ARG 48 1HH2 ARG 48 8.014 10.610 -6.263 392 HH12 ARG 48 2HH2 ARG 48 7.312 11.077 -7.772 393 HH21 ARG 48 1HH1 ARG 48 8.843 14.242 -7.833 394 HH22 ARG 48 2HH1 ARG 48 7.791 13.161 -8.673 395 H SER 49 H SER 49 10.442 13.144 -0.770 396 HA SER 49 HA SER 49 12.969 14.534 -1.233 397 HB2 SER 49 1HB SER 49 11.331 15.253 -2.958 398 HB3 SER 49 2HB SER 49 10.231 15.751 -1.675 399 HG SER 49 HG SER 49 11.925 17.190 -0.970 400 H GLY 50 H GLY 50 12.040 13.218 1.134 401 HA2 GLY 50 1HA GLY 50 12.186 13.669 3.395 402 HA3 GLY 50 2HA GLY 50 12.476 15.353 2.987 403 H ASN 51 H ASN 51 9.779 13.045 2.716 404 HA ASN 51 HA ASN 51 8.110 14.731 4.342 405 HB2 ASN 51 1HB ASN 51 7.796 15.769 2.132 406 HB3 ASN 51 2HB ASN 51 7.360 14.211 1.450 407 HD21 ASN 51 2HD2 ASN 51 5.335 14.927 0.814 408 HD22 ASN 51 1HD2 ASN 51 4.064 15.236 1.943 409 H LEU 52 H LEU 52 7.562 13.201 5.728 410 HA LEU 52 HA LEU 52 7.142 10.497 4.913 411 HB2 LEU 52 1HB LEU 52 6.448 10.139 7.303 412 HB3 LEU 52 2HB LEU 52 8.064 10.763 7.070 413 HG LEU 52 HG LEU 52 6.936 13.085 7.514 414 HD11 LEU 52 1HD1 LEU 52 5.079 12.975 9.083 415 HD12 LEU 52 2HD1 LEU 52 4.998 11.226 8.873 416 HD13 LEU 52 3HD1 LEU 52 4.640 12.293 7.515 417 HD21 LEU 52 3HD2 LEU 52 7.349 12.784 9.929 418 HD22 LEU 52 1HD2 LEU 52 8.643 12.142 8.919 419 HD23 LEU 52 2HD2 LEU 52 7.480 11.046 9.662 420 H ILE 53 H ILE 53 5.224 9.296 4.945 421 HA ILE 53 HA ILE 53 2.855 10.983 4.526 422 HB ILE 53 HB ILE 53 3.447 8.265 3.338 423 HG12 ILE 53 1HG1 ILE 53 4.714 10.090 2.284 424 HG13 ILE 53 2HG1 ILE 53 3.488 9.466 1.188 425 HG21 ILE 53 1HG2 ILE 53 1.079 8.465 3.812 426 HG22 ILE 53 2HG2 ILE 53 1.352 8.569 2.073 427 HG23 ILE 53 3HG2 ILE 53 1.021 10.030 3.006 428 HD11 ILE 53 3HD1 ILE 53 2.055 11.387 1.751 429 HD12 ILE 53 1HD1 ILE 53 3.601 11.874 1.055 430 HD13 ILE 53 2HD1 ILE 53 3.337 12.011 2.792 431 H ASP 54 H ASP 54 3.843 7.781 5.778 432 HA ASP 54 HA ASP 54 2.289 7.906 8.077 433 HB2 ASP 54 1HB ASP 54 0.476 7.683 6.174 434 HB3 ASP 54 2HB ASP 54 0.957 5.989 6.185 435 H THR 55 H THR 55 1.840 5.444 8.833 436 HA THR 55 HA THR 55 3.995 3.701 8.032 437 HB THR 55 HB THR 55 4.616 3.409 10.548 438 HG1 THR 55 HG1 THR 55 3.480 6.025 10.540 439 HG21 THR 55 3HG2 THR 55 5.522 5.833 8.986 440 HG22 THR 55 1HG2 THR 55 6.220 4.217 8.921 441 HG23 THR 55 2HG2 THR 55 6.353 5.177 10.395 442 H SER 56 H SER 56 3.542 1.521 8.549 443 HA SER 56 HA SER 56 1.254 0.971 10.242 444 HB2 SER 56 1HB SER 56 0.314 1.412 7.966 445 HB3 SER 56 2HB SER 56 1.272 0.068 7.350 446 HG SER 56 HG SER 56 -1.110 -0.081 8.319 447 H THR 57 H THR 57 1.239 -1.078 11.074 448 HA THR 57 HA THR 57 3.384 -2.873 10.212 449 HB THR 57 HB THR 57 2.594 -2.301 13.081 450 HG1 THR 57 HG1 THR 57 3.948 -0.708 12.616 451 HG21 THR 57 3HG2 THR 57 4.641 -4.199 11.910 452 HG22 THR 57 1HG2 THR 57 3.209 -4.630 12.834 453 HG23 THR 57 2HG2 THR 57 4.539 -3.779 13.619 454 H PHE 58 H PHE 58 2.819 -4.898 9.952 455 HA PHE 58 HA PHE 58 0.141 -5.765 10.840 456 HB2 PHE 58 1HB PHE 58 1.539 -6.451 8.239 457 HB3 PHE 58 2HB PHE 58 0.076 -7.240 8.810 458 HD1 PHE 58 HD2 PHE 58 -2.026 -5.907 9.028 459 HD2 PHE 58 HD1 PHE 58 1.466 -4.367 7.143 460 HE1 PHE 58 HE2 PHE 58 -3.386 -4.173 7.937 461 HE2 PHE 58 HE1 PHE 58 0.112 -2.625 6.051 462 HZ PHE 58 HZ PHE 58 -2.318 -2.529 6.447 463 H TYR 59 H TYR 59 0.383 -7.252 12.396 464 HA TYR 59 HA TYR 59 2.228 -9.421 11.870 465 HB2 TYR 59 1HB TYR 59 3.197 -9.381 14.148 466 HB3 TYR 59 2HB TYR 59 3.613 -7.957 13.215 467 HD1 TYR 59 HD2 TYR 59 1.977 -5.883 13.642 468 HD2 TYR 59 HD1 TYR 59 2.560 -9.114 16.345 469 HE1 TYR 59 HE2 TYR 59 1.232 -4.455 15.498 470 HE2 TYR 59 HE1 TYR 59 1.816 -7.696 18.210 471 HH TYR 59 HH TYR 59 0.270 -4.716 17.747 472 H HIS 60 H HIS 60 1.230 -11.178 11.988 473 HA HIS 60 HA HIS 60 -0.246 -12.231 14.089 474 HB2 HIS 60 1HB HIS 60 -1.900 -10.419 13.354 475 HB3 HIS 60 2HB HIS 60 -2.039 -11.278 11.828 476 HD1 HIS 60 HD1 HIS 60 -3.290 -11.240 15.288 477 HD2 HIS 60 HD2 HIS 60 -3.321 -13.846 12.050 478 HE1 HIS 60 HE1 HIS 60 -5.048 -12.951 15.822 479 H HIS 61 H HIS 61 0.036 -14.398 13.676 480 HA HIS 61 HA HIS 61 0.855 -15.046 10.990 481 HB2 HIS 61 1HB HIS 61 1.242 -17.389 11.920 482 HB3 HIS 61 2HB HIS 61 2.234 -16.097 12.572 483 HD1 HIS 61 HD1 HIS 61 -0.299 -18.648 13.521 484 HD2 HIS 61 HD2 HIS 61 1.679 -15.449 15.285 485 HE1 HIS 61 HE1 HIS 61 -0.647 -18.923 15.991 486 H ASP 62 H ASP 62 -1.107 -14.584 9.988 487 HA ASP 62 HA ASP 62 -2.564 -17.061 9.546 488 HB2 ASP 62 1HB ASP 62 -4.010 -15.559 11.012 489 HB3 ASP 62 2HB ASP 62 -4.067 -14.440 9.647 490 H GLU 63 H GLU 63 -1.832 -17.469 7.579 491 HA GLU 63 HA GLU 63 -0.761 -15.669 5.797 492 HB2 GLU 63 1HB GLU 63 -2.062 -18.318 5.234 493 HB3 GLU 63 2HB GLU 63 -1.054 -17.433 4.096 494 HG2 GLU 63 1HG GLU 63 0.847 -17.617 5.597 495 HG3 GLU 63 2HG GLU 63 -0.151 -18.448 6.789 496 H ASP 64 H ASP 64 -4.135 -16.874 5.786 497 HA ASP 64 HA ASP 64 -4.817 -15.630 3.330 498 HB2 ASP 64 1HB ASP 64 -6.561 -16.607 5.576 499 HB3 ASP 64 2HB ASP 64 -7.189 -15.973 4.065 500 H VAL 65 H VAL 65 -5.465 -14.596 6.730 501 HA VAL 65 HA VAL 65 -6.908 -12.323 5.920 502 HB VAL 65 HB VAL 65 -5.625 -13.018 8.569 503 HG11 VAL 65 1HG1 VAL 65 -7.134 -11.369 9.547 504 HG12 VAL 65 2HG1 VAL 65 -7.718 -10.943 7.939 505 HG13 VAL 65 3HG1 VAL 65 -6.043 -10.619 8.382 506 HG21 VAL 65 3HG2 VAL 65 -7.886 -13.702 9.225 507 HG22 VAL 65 1HG2 VAL 65 -7.296 -14.646 7.859 508 HG23 VAL 65 2HG2 VAL 65 -8.461 -13.349 7.596 509 H LEU 66 H LEU 66 -3.543 -12.913 6.750 510 HA LEU 66 HA LEU 66 -2.695 -10.374 7.419 511 HB2 LEU 66 1HB LEU 66 -1.466 -12.716 7.352 512 HB3 LEU 66 2HB LEU 66 -0.946 -12.162 5.783 513 HG LEU 66 HG LEU 66 0.713 -11.788 7.648 514 HD11 LEU 66 1HD1 LEU 66 0.913 -10.579 5.566 515 HD12 LEU 66 2HD1 LEU 66 1.345 -9.538 6.923 516 HD13 LEU 66 3HD1 LEU 66 -0.224 -9.359 6.135 517 HD21 LEU 66 3HD2 LEU 66 -0.927 -11.119 9.361 518 HD22 LEU 66 1HD2 LEU 66 -1.211 -9.618 8.481 519 HD23 LEU 66 2HD2 LEU 66 0.376 -9.950 9.169 520 H PHE 67 H PHE 67 -2.384 -11.814 4.104 521 HA PHE 67 HA PHE 67 -1.575 -9.383 2.990 522 HB2 PHE 67 1HB PHE 67 -2.588 -11.915 1.728 523 HB3 PHE 67 2HB PHE 67 -2.051 -10.525 0.785 524 HD1 PHE 67 HD2 PHE 67 0.335 -9.667 1.186 525 HD2 PHE 67 HD1 PHE 67 -1.061 -13.470 2.520 526 HE1 PHE 67 HE2 PHE 67 2.654 -10.446 1.386 527 HE2 PHE 67 HE1 PHE 67 1.262 -14.250 2.729 528 HZ PHE 67 HZ PHE 67 3.123 -12.742 2.159 529 H ASN 68 H ASN 68 -4.776 -10.654 3.527 530 HA ASN 68 HA ASN 68 -6.162 -9.153 1.576 531 HB2 ASN 68 1HB ASN 68 -7.169 -11.027 2.890 532 HB3 ASN 68 2HB ASN 68 -7.159 -10.005 4.319 533 HD21 ASN 68 2HD2 ASN 68 -9.394 -11.296 3.022 534 HD22 ASN 68 1HD2 ASN 68 -10.500 -10.044 2.568 535 H MET 69 H MET 69 -5.281 -8.420 4.950 536 HA MET 69 HA MET 69 -6.503 -5.879 5.037 537 HB2 MET 69 1HB MET 69 -4.219 -7.041 6.637 538 HB3 MET 69 2HB MET 69 -4.995 -5.509 6.997 539 HG2 MET 69 1HG MET 69 -7.125 -6.690 7.340 540 HG3 MET 69 2HG MET 69 -6.305 -8.220 7.032 541 HE1 MET 69 3HE MET 69 -3.889 -8.548 10.063 542 HE2 MET 69 1HE MET 69 -3.507 -7.875 8.476 543 HE3 MET 69 2HE MET 69 -4.526 -9.304 8.605 544 H CYS 70 H CYS 70 -3.346 -7.001 4.027 545 HA CYS 70 HA CYS 70 -1.999 -4.532 4.031 546 HB2 CYS 70 1HB CYS 70 -1.466 -7.029 2.424 547 HB3 CYS 70 2HB CYS 70 -0.354 -5.671 2.555 548 HG CYS 70 HG CYS 70 -1.300 -7.825 5.040 549 H THR 71 H THR 71 -3.779 -6.177 1.376 550 HA THR 71 HA THR 71 -3.002 -4.139 -0.495 551 HB THR 71 HB THR 71 -3.385 -6.404 -1.331 552 HG1 THR 71 HG1 THR 71 -4.849 -4.226 -2.264 553 HG21 THR 71 3HG2 THR 71 -5.145 -7.117 0.224 554 HG22 THR 71 1HG2 THR 71 -5.644 -7.363 -1.450 555 HG23 THR 71 2HG2 THR 71 -6.275 -5.995 -0.533 556 H ASP 72 H ASP 72 -5.717 -4.796 1.557 557 HA ASP 72 HA ASP 72 -7.579 -2.987 0.458 558 HB2 ASP 72 1HB ASP 72 -7.993 -4.881 2.123 559 HB3 ASP 72 2HB ASP 72 -7.420 -3.774 3.363 560 H TRP 73 H TRP 73 -4.815 -2.538 2.256 561 HA TRP 73 HA TRP 73 -5.658 -0.076 3.622 562 HB2 TRP 73 1HB TRP 73 -4.067 -1.701 4.768 563 HB3 TRP 73 2HB TRP 73 -2.848 -1.208 3.598 564 HD1 TRP 73 HD1 TRP 73 -4.757 0.082 6.665 565 HE1 TRP 73 HE1 TRP 73 -3.545 2.182 7.567 566 HE3 TRP 73 HE3 TRP 73 -1.397 0.773 2.918 567 HZ2 TRP 73 HZ2 TRP 73 -1.446 3.870 6.808 568 HZ3 TRP 73 HZ3 TRP 73 0.196 2.641 3.073 569 HH2 TRP 73 HH2 TRP 73 0.165 4.164 4.978 570 H LEU 74 H LEU 74 -3.812 -1.237 1.034 571 HA LEU 74 HA LEU 74 -2.521 1.232 0.238 572 HB2 LEU 74 1HB LEU 74 -2.882 -1.393 -1.177 573 HB3 LEU 74 2HB LEU 74 -2.298 0.002 -2.057 574 HG LEU 74 HG LEU 74 -0.899 -1.197 0.361 575 HD11 LEU 74 1HD1 LEU 74 -0.885 -2.737 -1.511 576 HD12 LEU 74 2HD1 LEU 74 0.715 -2.043 -1.248 577 HD13 LEU 74 3HD1 LEU 74 -0.293 -1.461 -2.575 578 HD21 LEU 74 3HD2 LEU 74 -0.049 0.907 -1.622 579 HD22 LEU 74 1HD2 LEU 74 0.957 0.218 -0.346 580 HD23 LEU 74 2HD2 LEU 74 -0.459 1.182 0.071 581 H ASN 75 H ASN 75 -5.326 -0.546 -0.919 582 HA ASN 75 HA ASN 75 -6.144 1.279 -2.927 583 HB2 ASN 75 1HB ASN 75 -7.724 -0.759 -1.352 584 HB3 ASN 75 2HB ASN 75 -8.412 0.183 -2.670 585 HD21 ASN 75 2HD2 ASN 75 -8.045 -2.691 -2.413 586 HD22 ASN 75 1HD2 ASN 75 -7.095 -3.181 -3.768 587 H HIS 76 H HIS 76 -6.651 1.129 0.451 588 HA HIS 76 HA HIS 76 -8.831 2.760 0.864 589 HB2 HIS 76 1HB HIS 76 -8.093 1.509 2.673 590 HB3 HIS 76 2HB HIS 76 -6.421 1.989 2.456 591 HD1 HIS 76 HD1 HIS 76 -9.702 3.528 3.610 592 HD2 HIS 76 HD2 HIS 76 -5.594 3.812 4.212 593 HE1 HIS 76 HE1 HIS 76 -9.424 5.190 5.475 594 H MET 77 H MET 77 -5.409 3.753 0.539 595 HA MET 77 HA MET 77 -6.088 6.487 1.131 596 HB2 MET 77 1HB MET 77 -3.711 7.004 0.612 597 HB3 MET 77 2HB MET 77 -3.961 5.823 1.884 598 HG2 MET 77 1HG MET 77 -3.346 4.032 0.425 599 HG3 MET 77 2HG MET 77 -3.278 5.127 -0.957 600 HE1 MET 77 3HE MET 77 -1.726 4.313 2.566 601 HE2 MET 77 1HE MET 77 -2.042 6.049 2.653 602 HE3 MET 77 2HE MET 77 -0.383 5.455 2.620 603 H TYR 78 H TYR 78 -5.972 4.685 -1.814 604 HA TYR 78 HA TYR 78 -5.196 6.688 -3.616 605 HB2 TYR 78 1HB TYR 78 -6.949 4.279 -3.943 606 HB3 TYR 78 2HB TYR 78 -6.726 5.407 -5.269 607 HD1 TYR 78 HD1 TYR 78 -5.125 2.872 -3.183 608 HD2 TYR 78 HD2 TYR 78 -4.593 5.538 -6.446 609 HE1 TYR 78 HE1 TYR 78 -3.099 1.652 -3.849 610 HE2 TYR 78 HE2 TYR 78 -2.572 4.332 -7.115 611 HH TYR 78 HH TYR 78 -1.778 1.287 -5.880 612 H ASP 79 H ASP 79 -8.437 5.925 -2.408 613 HA ASP 79 HA ASP 79 -9.910 7.569 -4.133 614 HB2 ASP 79 1HB ASP 79 -10.883 5.833 -2.666 615 HB3 ASP 79 2HB ASP 79 -10.551 6.848 -1.267 616 H GLN 80 H GLN 80 -8.807 8.249 -0.910 617 HA GLN 80 HA GLN 80 -9.723 10.923 -0.793 618 HB2 GLN 80 1HB GLN 80 -9.127 9.670 1.235 619 HB3 GLN 80 2HB GLN 80 -7.427 9.767 0.791 620 HG2 GLN 80 1HG GLN 80 -7.930 11.436 2.457 621 HG3 GLN 80 2HG GLN 80 -7.555 12.223 0.925 622 HE21 GLN 80 2HE2 GLN 80 -8.670 14.093 1.360 623 HE22 GLN 80 1HE2 GLN 80 -10.393 14.167 1.464 624 H LEU 81 H LEU 81 -6.597 9.672 -1.870 625 HA LEU 81 HA LEU 81 -5.497 12.333 -2.071 626 HB2 LEU 81 1HB LEU 81 -4.379 9.669 -2.900 627 HB3 LEU 81 2HB LEU 81 -3.507 11.187 -3.015 628 HG LEU 81 HG LEU 81 -4.499 9.938 -0.450 629 HD11 LEU 81 1HD1 LEU 81 -2.119 9.544 0.008 630 HD12 LEU 81 2HD1 LEU 81 -1.729 10.107 -1.619 631 HD13 LEU 81 3HD1 LEU 81 -2.693 8.646 -1.397 632 HD21 LEU 81 3HD2 LEU 81 -4.436 12.364 -0.306 633 HD22 LEU 81 1HD2 LEU 81 -2.788 12.376 -0.937 634 HD23 LEU 81 2HD2 LEU 81 -3.126 11.658 0.637 635 H LYS 82 H LYS 82 -7.604 10.760 -4.007 636 HA LYS 82 HA LYS 82 -6.426 11.550 -6.536 637 HB2 LYS 82 1HB LYS 82 -9.102 10.353 -5.876 638 HB3 LYS 82 2HB LYS 82 -8.709 10.922 -7.489 639 HG2 LYS 82 1HG LYS 82 -6.818 9.357 -7.554 640 HG3 LYS 82 2HG LYS 82 -7.283 8.763 -5.958 641 HD2 LYS 82 1HD LYS 82 -9.445 8.063 -6.834 642 HD3 LYS 82 2HD LYS 82 -9.015 8.691 -8.427 643 HE2 LYS 82 1HE LYS 82 -7.148 7.108 -8.530 644 HE3 LYS 82 2HE LYS 82 -7.610 6.468 -6.955 645 HZ1 LYS 82 3HZ LYS 82 -8.442 5.097 -8.762 646 HZ2 LYS 82 1HZ LYS 82 -9.297 6.404 -9.398 647 HZ3 LYS 82 2HZ LYS 82 -9.722 5.774 -7.894 648 H ASP 83 H ASP 83 -8.426 13.001 -4.186 649 HA ASP 83 HA ASP 83 -9.167 15.133 -6.073 650 HB2 ASP 83 1HB ASP 83 -10.228 14.533 -3.311 651 HB3 ASP 83 2HB ASP 83 -10.717 15.905 -4.293 652 H TRP 84 H TRP 84 -6.815 14.381 -3.898 653 HA TRP 84 HA TRP 84 -5.923 17.081 -3.701 654 HB2 TRP 84 1HB TRP 84 -7.554 16.959 -1.819 655 HB3 TRP 84 2HB TRP 84 -6.611 15.650 -1.122 656 HD1 TRP 84 HD1 TRP 84 -5.905 19.292 -2.256 657 HE1 TRP 84 HE1 TRP 84 -4.357 20.384 -0.512 658 HE3 TRP 84 HE3 TRP 84 -5.295 15.305 0.878 659 HZ2 TRP 84 HZ2 TRP 84 -3.051 19.644 1.875 660 HZ3 TRP 84 HZ3 TRP 84 -3.887 15.582 2.876 661 HH2 TRP 84 HH2 TRP 84 -2.789 17.706 3.361 662 H LYS 85 H LYS 85 -4.209 16.059 -4.888 663 HA LYS 85 HA LYS 85 -2.487 14.392 -3.205 664 HB2 LYS 85 1HB LYS 85 -1.452 13.600 -5.311 665 HB3 LYS 85 2HB LYS 85 -3.162 13.217 -5.211 666 HG2 LYS 85 1HG LYS 85 -3.613 15.200 -6.662 667 HG3 LYS 85 2HG LYS 85 -1.870 15.380 -6.858 668 HD2 LYS 85 1HD LYS 85 -3.474 12.934 -7.621 669 HD3 LYS 85 2HD LYS 85 -2.910 14.174 -8.737 670 HE2 LYS 85 1HE LYS 85 -1.102 12.479 -7.015 671 HE3 LYS 85 2HE LYS 85 -1.491 12.130 -8.695 672 HZ1 LYS 85 3HZ LYS 85 0.574 13.250 -8.660 673 HZ2 LYS 85 1HZ LYS 85 -0.015 14.482 -7.650 674 HZ3 LYS 85 2HZ LYS 85 -0.565 14.360 -9.238 Start of MODEL 8 1 HA MET 1 HA MET 1 7.090 -4.680 -12.718 2 HB2 MET 1 1HB MET 1 9.084 -3.276 -13.036 3 HB3 MET 1 2HB MET 1 9.942 -4.211 -11.826 4 HG2 MET 1 1HG MET 1 9.823 -6.185 -13.228 5 HG3 MET 1 2HG MET 1 8.907 -5.293 -14.438 6 HE1 MET 1 3HE MET 1 12.326 -5.829 -12.681 7 HE2 MET 1 1HE MET 1 12.052 -4.132 -12.286 8 HE3 MET 1 2HE MET 1 13.349 -4.581 -13.398 9 H GLY 2 H GLY 2 6.244 -6.592 -12.186 10 HA2 GLY 2 1HA GLY 2 7.753 -8.283 -10.308 11 HA3 GLY 2 2HA GLY 2 6.021 -8.399 -10.582 12 H ARG 3 H ARG 3 7.931 -10.519 -10.748 13 HA ARG 3 HA ARG 3 7.450 -11.255 -13.539 14 HB2 ARG 3 1HB ARG 3 9.656 -12.400 -13.670 15 HB3 ARG 3 2HB ARG 3 9.793 -10.657 -13.507 16 HG2 ARG 3 1HG ARG 3 10.052 -12.515 -11.160 17 HG3 ARG 3 2HG ARG 3 11.414 -12.095 -12.193 18 HD2 ARG 3 1HD ARG 3 11.112 -9.733 -11.668 19 HD3 ARG 3 2HD ARG 3 9.707 -10.115 -10.676 20 HE ARG 3 HE ARG 3 11.862 -11.596 -9.723 21 HH11 ARG 3 1HH2 ARG 3 10.904 -8.216 -9.945 22 HH12 ARG 3 2HH2 ARG 3 11.801 -7.748 -8.540 23 HH21 ARG 3 1HH1 ARG 3 13.005 -10.968 -7.841 24 HH22 ARG 3 2HH1 ARG 3 12.995 -9.306 -7.348 25 H LEU 4 H LEU 4 6.398 -11.875 -10.710 26 HA LEU 4 HA LEU 4 6.382 -14.802 -11.046 27 HB2 LEU 4 1HB LEU 4 6.260 -13.248 -8.447 28 HB3 LEU 4 2HB LEU 4 5.980 -14.968 -8.584 29 HG LEU 4 HG LEU 4 8.400 -15.044 -9.551 30 HD11 LEU 4 1HD1 LEU 4 8.636 -12.594 -9.744 31 HD12 LEU 4 2HD1 LEU 4 9.882 -13.330 -8.733 32 HD13 LEU 4 3HD1 LEU 4 8.533 -12.473 -7.988 33 HD21 LEU 4 3HD2 LEU 4 7.696 -16.037 -7.432 34 HD22 LEU 4 1HD2 LEU 4 7.887 -14.475 -6.636 35 HD23 LEU 4 2HD2 LEU 4 9.293 -15.306 -7.299 36 H TYR 5 H TYR 5 4.397 -15.747 -11.141 37 HA TYR 5 HA TYR 5 2.121 -13.964 -10.696 38 HB2 TYR 5 1HB TYR 5 0.888 -15.353 -12.397 39 HB3 TYR 5 2HB TYR 5 2.211 -14.391 -13.035 40 HD1 TYR 5 HD1 TYR 5 1.046 -17.803 -12.297 41 HD2 TYR 5 HD2 TYR 5 4.173 -15.451 -13.977 42 HE1 TYR 5 HE1 TYR 5 1.978 -19.808 -13.365 43 HE2 TYR 5 HE2 TYR 5 5.112 -17.456 -15.044 44 HH TYR 5 HH TYR 5 5.089 -19.870 -14.789 45 H SER 6 H SER 6 0.644 -14.516 -9.254 46 HA SER 6 HA SER 6 -0.003 -17.229 -8.658 47 HB2 SER 6 1HB SER 6 2.071 -17.073 -7.356 48 HB3 SER 6 2HB SER 6 1.471 -15.632 -6.539 49 HG SER 6 HG SER 6 0.604 -18.308 -6.324 50 H GLY 7 H GLY 7 -1.800 -17.416 -7.183 51 HA2 GLY 7 1HA GLY 7 -3.697 -15.306 -7.335 52 HA3 GLY 7 2HA GLY 7 -3.849 -16.754 -6.344 53 H ASN 8 H ASN 8 -1.214 -16.014 -5.158 54 HA ASN 8 HA ASN 8 -2.253 -14.475 -2.894 55 HB2 ASN 8 1HB ASN 8 0.551 -15.555 -3.358 56 HB3 ASN 8 2HB ASN 8 -0.070 -14.917 -1.842 57 HD21 ASN 8 2HD2 ASN 8 -0.049 -17.602 -4.043 58 HD22 ASN 8 1HD2 ASN 8 -0.830 -18.729 -2.992 59 H LEU 9 H LEU 9 -1.111 -13.794 -5.734 60 HA LEU 9 HA LEU 9 0.295 -11.334 -4.916 61 HB2 LEU 9 1HB LEU 9 1.066 -13.002 -7.284 62 HB3 LEU 9 2HB LEU 9 1.752 -11.435 -6.887 63 HG LEU 9 HG LEU 9 1.974 -13.958 -5.248 64 HD11 LEU 9 1HD1 LEU 9 3.378 -14.010 -7.201 65 HD12 LEU 9 2HD1 LEU 9 4.372 -13.760 -5.769 66 HD13 LEU 9 3HD1 LEU 9 4.004 -12.404 -6.834 67 HD21 LEU 9 3HD2 LEU 9 1.818 -12.043 -3.758 68 HD22 LEU 9 1HD2 LEU 9 3.043 -11.183 -4.697 69 HD23 LEU 9 2HD2 LEU 9 3.480 -12.634 -3.795 70 H ALA 10 H ALA 10 -2.316 -12.516 -6.572 71 HA ALA 10 HA ALA 10 -2.493 -10.959 -8.865 72 HB1 ALA 10 3HB ALA 10 -3.991 -12.832 -8.404 73 HB2 ALA 10 1HB ALA 10 -4.899 -11.374 -8.795 74 HB3 ALA 10 2HB ALA 10 -4.765 -11.904 -7.122 75 H ALA 11 H ALA 11 -3.872 -10.197 -5.666 76 HA ALA 11 HA ALA 11 -4.689 -7.581 -6.493 77 HB1 ALA 11 3HB ALA 11 -4.422 -8.618 -3.674 78 HB2 ALA 11 1HB ALA 11 -5.828 -8.879 -4.704 79 HB3 ALA 11 2HB ALA 11 -5.383 -7.248 -4.219 80 H PHE 12 H PHE 12 -2.011 -8.912 -4.707 81 HA PHE 12 HA PHE 12 -0.857 -6.591 -3.693 82 HB2 PHE 12 1HB PHE 12 -0.226 -8.906 -3.061 83 HB3 PHE 12 2HB PHE 12 0.585 -9.088 -4.611 84 HD1 PHE 12 HD1 PHE 12 0.666 -7.417 -1.348 85 HD2 PHE 12 HD2 PHE 12 2.746 -8.131 -4.993 86 HE1 PHE 12 HE1 PHE 12 2.723 -6.514 -0.347 87 HE2 PHE 12 HE2 PHE 12 4.810 -7.231 -3.997 88 HZ PHE 12 HZ PHE 12 4.799 -6.423 -1.668 89 H LYS 13 H LYS 13 0.028 -8.284 -6.776 90 HA LYS 13 HA LYS 13 1.815 -6.295 -7.576 91 HB2 LYS 13 1HB LYS 13 0.345 -8.353 -9.219 92 HB3 LYS 13 2HB LYS 13 1.688 -7.374 -9.799 93 HG2 LYS 13 1HG LYS 13 1.803 -9.353 -7.528 94 HG3 LYS 13 2HG LYS 13 2.409 -9.620 -9.161 95 HD2 LYS 13 1HD LYS 13 3.995 -7.786 -8.881 96 HD3 LYS 13 2HD LYS 13 3.378 -7.497 -7.251 97 HE2 LYS 13 1HE LYS 13 4.063 -9.764 -6.609 98 HE3 LYS 13 2HE LYS 13 4.714 -10.016 -8.225 99 HZ1 LYS 13 3HZ LYS 13 6.356 -8.366 -7.865 100 HZ2 LYS 13 1HZ LYS 13 6.370 -9.364 -6.505 101 HZ3 LYS 13 2HZ LYS 13 5.638 -7.844 -6.432 102 H ALA 14 H ALA 14 -1.633 -6.645 -8.063 103 HA ALA 14 HA ALA 14 -1.971 -4.788 -10.136 104 HB1 ALA 14 3HB ALA 14 -3.749 -6.307 -9.439 105 HB2 ALA 14 1HB ALA 14 -4.303 -4.634 -9.389 106 HB3 ALA 14 2HB ALA 14 -3.880 -5.467 -7.895 107 H ALA 15 H ALA 15 -1.919 -4.348 -6.623 108 HA ALA 15 HA ALA 15 -2.497 -1.581 -6.634 109 HB1 ALA 15 3HB ALA 15 -1.719 -1.580 -4.337 110 HB2 ALA 15 1HB ALA 15 -0.935 -3.141 -4.572 111 HB3 ALA 15 2HB ALA 15 -2.693 -3.022 -4.634 112 H THR 16 H THR 16 0.371 -3.391 -7.126 113 HA THR 16 HA THR 16 2.340 -1.451 -6.632 114 HB THR 16 HB THR 16 2.426 -3.777 -8.576 115 HG1 THR 16 HG1 THR 16 2.111 -4.057 -6.155 116 HG21 THR 16 3HG2 THR 16 4.711 -2.188 -7.374 117 HG22 THR 16 1HG2 THR 16 4.171 -2.085 -9.051 118 HG23 THR 16 2HG2 THR 16 4.859 -3.590 -8.436 119 H ASN 17 H ASN 17 0.612 -2.230 -9.653 120 HA ASN 17 HA ASN 17 2.076 -0.419 -11.274 121 HB2 ASN 17 1HB ASN 17 0.806 -2.265 -12.259 122 HB3 ASN 17 2HB ASN 17 -0.702 -1.539 -11.715 123 HD21 ASN 17 2HD2 ASN 17 1.946 -1.306 -13.949 124 HD22 ASN 17 1HD2 ASN 17 1.206 -0.182 -15.034 125 H LYS 18 H LYS 18 -0.521 0.045 -9.046 126 HA LYS 18 HA LYS 18 -1.598 2.418 -10.204 127 HB2 LYS 18 1HB LYS 18 -2.053 0.799 -7.783 128 HB3 LYS 18 2HB LYS 18 -2.363 2.517 -7.594 129 HG2 LYS 18 1HG LYS 18 -4.412 1.415 -8.176 130 HG3 LYS 18 2HG LYS 18 -3.901 2.414 -9.534 131 HD2 LYS 18 1HD LYS 18 -3.025 0.447 -10.671 132 HD3 LYS 18 2HD LYS 18 -3.470 -0.566 -9.298 133 HE2 LYS 18 1HE LYS 18 -5.826 -0.013 -9.649 134 HE3 LYS 18 2HE LYS 18 -5.388 1.022 -11.003 135 HZ1 LYS 18 3HZ LYS 18 -4.569 -0.897 -12.178 136 HZ2 LYS 18 1HZ LYS 18 -6.169 -1.159 -11.708 137 HZ3 LYS 18 2HZ LYS 18 -4.907 -1.904 -10.867 138 H LEU 19 H LEU 19 0.890 1.606 -7.923 139 HA LEU 19 HA LEU 19 1.272 3.974 -6.530 140 HB2 LEU 19 1HB LEU 19 3.308 1.945 -7.461 141 HB3 LEU 19 2HB LEU 19 3.642 3.202 -6.295 142 HG LEU 19 HG LEU 19 1.585 1.034 -5.867 143 HD11 LEU 19 1HD1 LEU 19 3.223 -0.049 -4.459 144 HD12 LEU 19 2HD1 LEU 19 4.409 1.201 -4.833 145 HD13 LEU 19 3HD1 LEU 19 3.852 0.109 -6.099 146 HD21 LEU 19 3HD2 LEU 19 2.884 3.015 -3.993 147 HD22 LEU 19 1HD2 LEU 19 1.783 1.723 -3.517 148 HD23 LEU 19 2HD2 LEU 19 1.205 3.037 -4.541 149 H PHE 20 H PHE 20 2.462 3.021 -9.709 150 HA PHE 20 HA PHE 20 4.307 5.098 -10.106 151 HB2 PHE 20 1HB PHE 20 4.174 3.046 -11.507 152 HB3 PHE 20 2HB PHE 20 2.687 3.662 -12.212 153 HD1 PHE 20 HD1 PHE 20 6.309 4.270 -11.884 154 HD2 PHE 20 HD2 PHE 20 2.729 5.242 -13.965 155 HE1 PHE 20 HE1 PHE 20 7.626 5.477 -13.578 156 HE2 PHE 20 HE2 PHE 20 4.037 6.449 -15.660 157 HZ PHE 20 HZ PHE 20 6.488 6.566 -15.468 158 H GLN 21 H GLN 21 0.850 4.898 -10.776 159 HA GLN 21 HA GLN 21 0.704 7.411 -12.139 160 HB2 GLN 21 1HB GLN 21 -1.489 5.729 -10.913 161 HB3 GLN 21 2HB GLN 21 -1.732 7.090 -12.002 162 HG2 GLN 21 1HG GLN 21 -0.335 4.500 -12.670 163 HG3 GLN 21 2HG GLN 21 -1.947 4.983 -13.192 164 HE21 GLN 21 2HE2 GLN 21 0.477 4.310 -14.723 165 HE22 GLN 21 1HE2 GLN 21 0.774 5.674 -15.743 166 H LEU 22 H LEU 22 1.144 6.638 -9.112 167 HA LEU 22 HA LEU 22 -0.128 9.112 -8.035 168 HB2 LEU 22 1HB LEU 22 -0.938 6.973 -7.001 169 HB3 LEU 22 2HB LEU 22 0.670 6.726 -6.364 170 HG LEU 22 HG LEU 22 0.457 8.726 -4.973 171 HD11 LEU 22 1HD1 LEU 22 -0.973 10.070 -6.390 172 HD12 LEU 22 2HD1 LEU 22 -1.724 9.864 -4.809 173 HD13 LEU 22 3HD1 LEU 22 -2.297 8.923 -6.188 174 HD21 LEU 22 3HD2 LEU 22 -0.309 6.530 -4.140 175 HD22 LEU 22 1HD2 LEU 22 -1.936 6.910 -4.704 176 HD23 LEU 22 2HD2 LEU 22 -1.194 7.881 -3.429 177 H ASP 23 H ASP 23 2.627 7.641 -8.787 178 HA ASP 23 HA ASP 23 4.858 8.329 -8.911 179 HB2 ASP 23 1HB ASP 23 3.783 10.531 -9.514 180 HB3 ASP 23 2HB ASP 23 3.898 10.988 -7.820 181 H LEU 24 H LEU 24 4.289 6.816 -6.852 182 HA LEU 24 HA LEU 24 6.203 7.645 -4.917 183 HB2 LEU 24 1HB LEU 24 4.725 7.146 -2.915 184 HB3 LEU 24 2HB LEU 24 4.483 8.676 -3.723 185 HG LEU 24 HG LEU 24 2.482 7.646 -4.868 186 HD11 LEU 24 1HD1 LEU 24 2.927 5.470 -2.834 187 HD12 LEU 24 2HD1 LEU 24 3.049 5.302 -4.586 188 HD13 LEU 24 3HD1 LEU 24 1.494 5.669 -3.842 189 HD21 LEU 24 3HD2 LEU 24 1.060 7.851 -2.858 190 HD22 LEU 24 1HD2 LEU 24 2.235 9.159 -3.011 191 HD23 LEU 24 2HD2 LEU 24 2.518 7.852 -1.861 192 H ALA 25 H ALA 25 6.230 5.771 -3.051 193 HA ALA 25 HA ALA 25 5.755 3.187 -4.280 194 HB1 ALA 25 3HB ALA 25 8.121 2.491 -3.975 195 HB2 ALA 25 1HB ALA 25 8.529 4.170 -3.618 196 HB3 ALA 25 2HB ALA 25 7.909 3.728 -5.214 197 H VAL 26 H VAL 26 5.623 1.536 -2.778 198 HA VAL 26 HA VAL 26 5.637 2.363 0.004 199 HB VAL 26 HB VAL 26 3.610 1.246 -0.625 200 HG11 VAL 26 1HG1 VAL 26 3.535 -0.995 -1.592 201 HG12 VAL 26 2HG1 VAL 26 5.297 -1.036 -1.650 202 HG13 VAL 26 3HG1 VAL 26 4.410 0.121 -2.641 203 HG21 VAL 26 3HG2 VAL 26 5.334 -0.733 0.873 204 HG22 VAL 26 1HG2 VAL 26 3.571 -0.696 0.865 205 HG23 VAL 26 2HG2 VAL 26 4.482 0.635 1.585 206 H ILE 27 H ILE 27 7.347 1.993 1.211 207 HA ILE 27 HA ILE 27 9.201 -0.116 0.431 208 HB ILE 27 HB ILE 27 10.755 0.887 2.096 209 HG12 ILE 27 1HG1 ILE 27 8.662 3.066 2.334 210 HG13 ILE 27 2HG1 ILE 27 9.028 1.879 3.578 211 HG21 ILE 27 1HG2 ILE 27 11.269 2.902 0.807 212 HG22 ILE 27 2HG2 ILE 27 9.695 2.798 0.020 213 HG23 ILE 27 3HG2 ILE 27 10.894 1.529 -0.233 214 HD11 ILE 27 3HD1 ILE 27 10.938 3.946 2.506 215 HD12 ILE 27 1HD1 ILE 27 11.290 2.765 3.765 216 HD13 ILE 27 2HD1 ILE 27 10.086 4.020 4.048 217 H TYR 28 H TYR 28 9.427 -1.943 1.550 218 HA TYR 28 HA TYR 28 7.837 -2.184 4.002 219 HB2 TYR 28 1HB TYR 28 7.383 -4.516 3.385 220 HB3 TYR 28 2HB TYR 28 6.804 -3.407 2.150 221 HD1 TYR 28 HD2 TYR 28 8.040 -3.232 -0.024 222 HD2 TYR 28 HD1 TYR 28 9.057 -6.144 2.910 223 HE1 TYR 28 HE2 TYR 28 9.294 -4.495 -1.720 224 HE2 TYR 28 HE1 TYR 28 10.317 -7.414 1.221 225 HH TYR 28 HH TYR 28 11.054 -6.116 -1.879 226 H ASP 29 H ASP 29 8.527 -3.728 5.511 227 HA ASP 29 HA ASP 29 11.395 -3.737 5.846 228 HB2 ASP 29 1HB ASP 29 9.910 -3.260 7.757 229 HB3 ASP 29 2HB ASP 29 9.223 -4.877 7.625 230 H ASP 30 H ASP 30 12.564 -5.700 6.353 231 HA ASP 30 HA ASP 30 11.568 -8.220 5.564 232 HB2 ASP 30 1HB ASP 30 11.779 -7.049 3.323 233 HB3 ASP 30 2HB ASP 30 13.514 -6.972 3.593 234 H TRP 31 H TRP 31 13.875 -9.604 4.955 235 HA TRP 31 HA TRP 31 15.394 -10.772 6.109 236 HB2 TRP 31 1HB TRP 31 16.682 -8.944 5.033 237 HB3 TRP 31 2HB TRP 31 16.601 -8.036 6.538 238 HD1 TRP 31 HD1 TRP 31 18.007 -11.411 5.239 239 HE1 TRP 31 HE1 TRP 31 20.111 -11.977 6.605 240 HE3 TRP 31 HE3 TRP 31 17.914 -7.503 8.541 241 HZ2 TRP 31 HZ2 TRP 31 21.550 -10.901 8.783 242 HZ3 TRP 31 HZ3 TRP 31 19.695 -7.346 10.227 243 HH2 TRP 31 HH2 TRP 31 21.472 -9.008 10.344 244 H TYR 32 H TYR 32 16.333 -11.462 8.045 245 HA TYR 32 HA TYR 32 15.731 -10.063 10.498 246 HB2 TYR 32 1HB TYR 32 13.743 -11.552 9.956 247 HB3 TYR 32 2HB TYR 32 14.822 -12.927 10.137 248 HD1 TYR 32 HD1 TYR 32 14.837 -9.861 12.240 249 HD2 TYR 32 HD2 TYR 32 13.806 -13.985 11.997 250 HE1 TYR 32 HE1 TYR 32 14.360 -9.877 14.647 251 HE2 TYR 32 HE2 TYR 32 13.328 -14.004 14.405 252 HH TYR 32 HH TYR 32 13.049 -11.160 16.257 253 H ASP 33 H ASP 33 17.386 -10.315 11.902 254 HA ASP 33 HA ASP 33 19.739 -11.645 10.994 255 HB2 ASP 33 1HB ASP 33 19.812 -9.523 12.249 256 HB3 ASP 33 2HB ASP 33 19.236 -10.363 13.685 257 H ALA 34 H ALA 34 17.111 -12.824 12.734 258 HA ALA 34 HA ALA 34 18.731 -14.733 14.224 259 HB1 ALA 34 3HB ALA 34 15.749 -14.284 14.250 260 HB2 ALA 34 1HB ALA 34 16.901 -13.688 15.445 261 HB3 ALA 34 2HB ALA 34 16.621 -15.423 15.273 262 H TYR 35 H TYR 35 18.685 -16.909 13.867 263 HA TYR 35 HA TYR 35 17.944 -17.655 11.155 264 HB2 TYR 35 1HB TYR 35 20.196 -18.266 12.042 265 HB3 TYR 35 2HB TYR 35 19.424 -19.287 13.247 266 HD1 TYR 35 HD1 TYR 35 19.786 -18.824 9.573 267 HD2 TYR 35 HD2 TYR 35 18.924 -21.524 12.743 268 HE1 TYR 35 HE1 TYR 35 19.792 -20.691 7.974 269 HE2 TYR 35 HE2 TYR 35 18.926 -23.397 11.156 270 HH TYR 35 HH TYR 35 20.099 -23.108 7.970 271 H THR 36 H THR 36 16.519 -17.686 14.147 272 HA THR 36 HA THR 36 15.154 -20.167 14.052 273 HB THR 36 HB THR 36 13.613 -18.916 15.727 274 HG1 THR 36 HG1 THR 36 15.512 -17.194 16.450 275 HG21 THR 36 3HG2 THR 36 15.232 -19.259 17.516 276 HG22 THR 36 1HG2 THR 36 16.549 -19.276 16.343 277 HG23 THR 36 2HG2 THR 36 15.347 -20.564 16.338 278 H ARG 37 H ARG 37 14.843 -17.357 12.281 279 HA ARG 37 HA ARG 37 13.335 -16.451 10.885 280 HB2 ARG 37 1HB ARG 37 12.230 -18.070 9.327 281 HB3 ARG 37 2HB ARG 37 13.952 -18.327 9.538 282 HG2 ARG 37 1HG ARG 37 13.405 -20.166 11.135 283 HG3 ARG 37 2HG ARG 37 11.704 -19.942 10.723 284 HD2 ARG 37 1HD ARG 37 13.883 -20.603 8.741 285 HD3 ARG 37 2HD ARG 37 12.807 -21.790 9.470 286 HE ARG 37 HE ARG 37 11.251 -19.797 8.265 287 HH11 ARG 37 1HH2 ARG 37 13.414 -22.426 7.386 288 HH12 ARG 37 2HH2 ARG 37 12.698 -22.673 5.835 289 HH21 ARG 37 1HH1 ARG 37 10.287 -20.143 6.181 290 HH22 ARG 37 2HH1 ARG 37 10.924 -21.371 5.149 291 H LYS 38 H LYS 38 11.904 -15.205 11.899 292 HA LYS 38 HA LYS 38 9.311 -16.419 12.488 293 HB2 LYS 38 1HB LYS 38 10.742 -14.334 14.122 294 HB3 LYS 38 2HB LYS 38 9.019 -14.643 14.273 295 HG2 LYS 38 1HG LYS 38 11.194 -16.681 14.727 296 HG3 LYS 38 2HG LYS 38 10.324 -15.804 15.992 297 HD2 LYS 38 1HD LYS 38 8.210 -16.779 15.196 298 HD3 LYS 38 2HD LYS 38 9.090 -17.669 13.955 299 HE2 LYS 38 1HE LYS 38 10.335 -18.853 15.699 300 HE3 LYS 38 2HE LYS 38 9.433 -17.966 16.932 301 HZ1 LYS 38 3HZ LYS 38 7.389 -18.963 16.069 302 HZ2 LYS 38 1HZ LYS 38 8.486 -20.144 16.588 303 HZ3 LYS 38 2HZ LYS 38 8.287 -19.845 14.938 304 H ASP 39 H ASP 39 7.493 -15.046 12.330 305 HA ASP 39 HA ASP 39 7.450 -13.703 9.840 306 HB2 ASP 39 1HB ASP 39 5.305 -13.632 11.963 307 HB3 ASP 39 2HB ASP 39 5.105 -13.446 10.223 308 H CYS 40 H CYS 40 7.457 -11.576 9.312 309 HA CYS 40 HA CYS 40 6.709 -9.484 11.049 310 HB2 CYS 40 1HB CYS 40 8.972 -8.364 11.173 311 HB3 CYS 40 2HB CYS 40 8.783 -9.787 12.186 312 HG CYS 40 HG CYS 40 10.400 -9.730 9.177 313 H ILE 41 H ILE 41 5.571 -8.453 9.491 314 HA ILE 41 HA ILE 41 7.074 -7.554 7.109 315 HB ILE 41 HB ILE 41 4.177 -8.460 7.177 316 HG12 ILE 41 1HG1 ILE 41 6.531 -9.577 5.634 317 HG13 ILE 41 2HG1 ILE 41 5.896 -10.269 7.123 318 HG21 ILE 41 1HG2 ILE 41 4.099 -7.956 4.788 319 HG22 ILE 41 2HG2 ILE 41 5.751 -7.341 4.852 320 HG23 ILE 41 3HG2 ILE 41 4.464 -6.504 5.719 321 HD11 ILE 41 3HD1 ILE 41 3.774 -10.712 6.010 322 HD12 ILE 41 1HD1 ILE 41 5.119 -11.478 5.162 323 HD13 ILE 41 2HD1 ILE 41 4.405 -9.999 4.521 324 H ARG 42 H ARG 42 7.367 -5.377 7.398 325 HA ARG 42 HA ARG 42 5.126 -3.827 8.530 326 HB2 ARG 42 1HB ARG 42 8.078 -3.235 8.352 327 HB3 ARG 42 2HB ARG 42 6.881 -2.143 9.024 328 HG2 ARG 42 1HG ARG 42 6.393 -3.690 10.801 329 HG3 ARG 42 2HG ARG 42 7.463 -4.900 10.088 330 HD2 ARG 42 1HD ARG 42 9.379 -3.439 10.439 331 HD3 ARG 42 2HD ARG 42 8.326 -2.184 11.088 332 HE ARG 42 HE ARG 42 7.982 -3.501 13.018 333 HH11 ARG 42 1HH2 ARG 42 10.363 -4.990 10.842 334 HH12 ARG 42 2HH2 ARG 42 11.109 -5.882 12.108 335 HH21 ARG 42 1HH1 ARG 42 8.977 -4.727 14.655 336 HH22 ARG 42 2HH1 ARG 42 10.319 -5.755 14.281 337 H LEU 43 H LEU 43 4.130 -2.232 7.320 338 HA LEU 43 HA LEU 43 5.303 -1.501 4.699 339 HB2 LEU 43 1HB LEU 43 2.478 -1.641 5.701 340 HB3 LEU 43 2HB LEU 43 2.864 -0.543 4.401 341 HG LEU 43 HG LEU 43 3.580 -2.440 3.005 342 HD11 LEU 43 1HD1 LEU 43 4.294 -3.934 4.852 343 HD12 LEU 43 2HD1 LEU 43 3.208 -4.720 3.702 344 HD13 LEU 43 3HD1 LEU 43 2.593 -4.172 5.264 345 HD21 LEU 43 3HD2 LEU 43 1.280 -1.663 2.893 346 HD22 LEU 43 1HD2 LEU 43 0.834 -2.761 4.198 347 HD23 LEU 43 2HD2 LEU 43 1.371 -3.405 2.648 348 H ARG 44 H ARG 44 6.492 0.385 4.932 349 HA ARG 44 HA ARG 44 5.258 2.611 6.382 350 HB2 ARG 44 1HB ARG 44 7.491 2.097 7.084 351 HB3 ARG 44 2HB ARG 44 8.066 2.049 5.429 352 HG2 ARG 44 1HG ARG 44 7.779 4.447 5.232 353 HG3 ARG 44 2HG ARG 44 7.120 4.519 6.870 354 HD2 ARG 44 1HD ARG 44 9.174 3.892 7.835 355 HD3 ARG 44 2HD ARG 44 9.837 3.369 6.290 356 HE ARG 44 HE ARG 44 9.356 6.043 5.955 357 HH11 ARG 44 1HH2 ARG 44 11.150 4.206 8.355 358 HH12 ARG 44 2HH2 ARG 44 12.391 5.395 8.524 359 HH21 ARG 44 1HH1 ARG 44 10.972 7.593 6.161 360 HH22 ARG 44 2HH1 ARG 44 12.297 7.351 7.254 361 H ILE 45 H ILE 45 4.242 4.180 5.261 362 HA ILE 45 HA ILE 45 4.819 4.473 2.378 363 HB ILE 45 HB ILE 45 2.374 5.424 3.902 364 HG12 ILE 45 1HG1 ILE 45 2.485 2.958 3.832 365 HG13 ILE 45 2HG1 ILE 45 1.170 3.577 2.847 366 HG21 ILE 45 1HG2 ILE 45 1.396 5.780 1.685 367 HG22 ILE 45 2HG2 ILE 45 2.901 5.255 0.932 368 HG23 ILE 45 3HG2 ILE 45 2.867 6.735 1.890 369 HD11 ILE 45 3HD1 ILE 45 2.286 1.758 1.732 370 HD12 ILE 45 1HD1 ILE 45 3.831 2.601 1.852 371 HD13 ILE 45 2HD1 ILE 45 2.540 3.263 0.847 372 H GLU 46 H GLU 46 5.776 6.302 1.680 373 HA GLU 46 HA GLU 46 5.231 8.804 2.970 374 HB2 GLU 46 1HB GLU 46 7.641 9.407 3.205 375 HB3 GLU 46 2HB GLU 46 7.091 8.170 4.325 376 HG2 GLU 46 1HG GLU 46 8.139 6.454 2.978 377 HG3 GLU 46 2HG GLU 46 8.630 7.667 1.792 378 H ASP 47 H ASP 47 6.032 10.638 1.756 379 HA ASP 47 HA ASP 47 5.668 10.251 -1.056 380 HB2 ASP 47 1HB ASP 47 4.835 12.272 0.136 381 HB3 ASP 47 2HB ASP 47 6.499 12.739 0.466 382 H ARG 48 H ARG 48 7.230 11.029 -2.687 383 HA ARG 48 HA ARG 48 9.774 9.865 -2.170 384 HB2 ARG 48 1HB ARG 48 10.247 10.202 -4.506 385 HB3 ARG 48 2HB ARG 48 8.612 9.592 -4.337 386 HG2 ARG 48 1HG ARG 48 9.289 12.501 -4.794 387 HG3 ARG 48 2HG ARG 48 8.909 11.363 -6.083 388 HD2 ARG 48 1HD ARG 48 6.695 10.973 -4.923 389 HD3 ARG 48 2HD ARG 48 7.115 12.314 -3.854 390 HE ARG 48 HE ARG 48 6.650 12.506 -6.760 391 HH11 ARG 48 1HH2 ARG 48 6.719 14.007 -3.568 392 HH12 ARG 48 2HH2 ARG 48 6.240 15.559 -4.157 393 HH21 ARG 48 1HH1 ARG 48 6.003 14.560 -7.512 394 HH22 ARG 48 2HH1 ARG 48 5.825 15.876 -6.405 395 H SER 49 H SER 49 8.828 12.727 -1.040 396 HA SER 49 HA SER 49 11.343 14.075 -1.707 397 HB2 SER 49 1HB SER 49 8.886 15.340 -0.492 398 HB3 SER 49 2HB SER 49 10.250 16.140 -1.271 399 HG SER 49 HG SER 49 8.183 14.609 -2.434 400 H GLY 50 H GLY 50 10.269 12.008 0.379 401 HA2 GLY 50 1HA GLY 50 11.180 11.489 2.497 402 HA3 GLY 50 2HA GLY 50 11.675 13.165 2.657 403 H ASN 51 H ASN 51 8.793 13.925 1.878 404 HA ASN 51 HA ASN 51 7.766 14.315 4.456 405 HB2 ASN 51 1HB ASN 51 7.196 15.547 2.266 406 HB3 ASN 51 2HB ASN 51 6.062 14.237 1.962 407 HD21 ASN 51 2HD2 ASN 51 5.445 16.999 2.286 408 HD22 ASN 51 1HD2 ASN 51 4.423 17.142 3.676 409 H LEU 52 H LEU 52 6.849 12.930 5.803 410 HA LEU 52 HA LEU 52 6.322 10.256 5.034 411 HB2 LEU 52 1HB LEU 52 5.499 9.984 7.386 412 HB3 LEU 52 2HB LEU 52 7.142 10.556 7.215 413 HG LEU 52 HG LEU 52 6.149 12.917 7.598 414 HD11 LEU 52 1HD1 LEU 52 3.798 12.338 7.343 415 HD12 LEU 52 2HD1 LEU 52 4.124 12.987 8.948 416 HD13 LEU 52 3HD1 LEU 52 3.910 11.252 8.729 417 HD21 LEU 52 3HD2 LEU 52 6.259 12.604 10.036 418 HD22 LEU 52 1HD2 LEU 52 7.591 11.820 9.185 419 HD23 LEU 52 2HD2 LEU 52 6.244 10.856 9.786 420 H ILE 53 H ILE 53 4.416 9.093 5.006 421 HA ILE 53 HA ILE 53 1.997 10.723 4.625 422 HB ILE 53 HB ILE 53 2.676 8.061 3.358 423 HG12 ILE 53 1HG1 ILE 53 3.822 9.968 2.311 424 HG13 ILE 53 2HG1 ILE 53 2.612 9.299 1.231 425 HG21 ILE 53 1HG2 ILE 53 0.315 8.121 3.884 426 HG22 ILE 53 2HG2 ILE 53 0.532 8.304 2.144 427 HG23 ILE 53 3HG2 ILE 53 0.159 9.711 3.138 428 HD11 ILE 53 3HD1 ILE 53 1.086 11.123 1.842 429 HD12 ILE 53 1HD1 ILE 53 2.595 11.719 1.148 430 HD13 ILE 53 2HD1 ILE 53 2.334 11.800 2.889 431 H ASP 54 H ASP 54 3.170 7.538 5.717 432 HA ASP 54 HA ASP 54 1.683 7.541 8.091 433 HB2 ASP 54 1HB ASP 54 -0.159 7.184 6.290 434 HB3 ASP 54 2HB ASP 54 0.517 5.568 6.132 435 H THR 55 H THR 55 1.552 5.088 8.931 436 HA THR 55 HA THR 55 3.758 3.489 7.974 437 HB THR 55 HB THR 55 3.813 4.580 10.807 438 HG1 THR 55 HG1 THR 55 4.744 5.607 8.519 439 HG21 THR 55 3HG2 THR 55 5.770 2.794 9.334 440 HG22 THR 55 1HG2 THR 55 4.691 2.289 10.633 441 HG23 THR 55 2HG2 THR 55 5.989 3.435 10.962 442 H SER 56 H SER 56 3.501 1.328 8.552 443 HA SER 56 HA SER 56 1.363 0.665 10.425 444 HB2 SER 56 1HB SER 56 0.281 0.860 8.216 445 HB3 SER 56 2HB SER 56 1.385 -0.354 7.577 446 HG SER 56 HG SER 56 -0.272 -1.576 8.156 447 H THR 57 H THR 57 1.596 -1.245 11.448 448 HA THR 57 HA THR 57 3.875 -2.957 10.700 449 HB THR 57 HB THR 57 2.786 -2.465 13.495 450 HG1 THR 57 HG1 THR 57 4.611 -1.090 11.954 451 HG21 THR 57 3HG2 THR 57 5.316 -3.832 12.561 452 HG22 THR 57 1HG2 THR 57 3.874 -4.659 13.148 453 HG23 THR 57 2HG2 THR 57 4.799 -3.621 14.233 454 H PHE 58 H PHE 58 3.316 -5.092 10.308 455 HA PHE 58 HA PHE 58 0.544 -5.792 10.935 456 HB2 PHE 58 1HB PHE 58 2.349 -6.663 8.704 457 HB3 PHE 58 2HB PHE 58 0.889 -7.553 9.122 458 HD1 PHE 58 HD1 PHE 58 2.226 -4.441 7.731 459 HD2 PHE 58 HD2 PHE 58 -1.296 -6.637 8.674 460 HE1 PHE 58 HE1 PHE 58 0.897 -2.906 6.341 461 HE2 PHE 58 HE2 PHE 58 -2.629 -5.106 7.284 462 HZ PHE 58 HZ PHE 58 -1.534 -3.238 6.114 463 H TYR 59 H TYR 59 0.298 -6.994 12.594 464 HA TYR 59 HA TYR 59 1.602 -9.591 12.719 465 HB2 TYR 59 1HB TYR 59 1.482 -7.646 15.051 466 HB3 TYR 59 2HB TYR 59 1.716 -9.371 15.263 467 HD1 TYR 59 HD2 TYR 59 3.817 -10.433 14.408 468 HD2 TYR 59 HD1 TYR 59 3.279 -6.216 14.473 469 HE1 TYR 59 HE2 TYR 59 6.247 -10.128 14.213 470 HE2 TYR 59 HE1 TYR 59 5.709 -5.900 14.283 471 HH TYR 59 HH TYR 59 7.861 -8.510 13.588 472 H HIS 60 H HIS 60 0.014 -11.115 13.085 473 HA HIS 60 HA HIS 60 -2.306 -10.663 14.643 474 HB2 HIS 60 1HB HIS 60 -2.586 -9.174 12.484 475 HB3 HIS 60 2HB HIS 60 -2.957 -10.697 11.696 476 HD1 HIS 60 HD1 HIS 60 -5.394 -11.259 11.669 477 HD2 HIS 60 HD2 HIS 60 -4.414 -8.706 14.805 478 HE1 HIS 60 HE1 HIS 60 -7.565 -10.687 12.772 479 H HIS 61 H HIS 61 -4.081 -12.249 13.125 480 HA HIS 61 HA HIS 61 -3.279 -14.884 13.590 481 HB2 HIS 61 1HB HIS 61 -5.540 -13.709 11.987 482 HB3 HIS 61 2HB HIS 61 -5.275 -15.447 12.060 483 HD1 HIS 61 HD1 HIS 61 -5.871 -16.645 14.246 484 HD2 HIS 61 HD2 HIS 61 -6.482 -12.540 14.384 485 HE1 HIS 61 HE1 HIS 61 -7.193 -16.235 16.337 486 H ASP 62 H ASP 62 -3.269 -16.584 11.908 487 HA ASP 62 HA ASP 62 -0.950 -16.577 10.517 488 HB2 ASP 62 1HB ASP 62 -2.482 -18.504 11.029 489 HB3 ASP 62 2HB ASP 62 -3.398 -18.046 9.593 490 H GLU 63 H GLU 63 -0.379 -16.664 8.320 491 HA GLU 63 HA GLU 63 -0.371 -14.575 6.772 492 HB2 GLU 63 1HB GLU 63 0.899 -16.584 6.323 493 HB3 GLU 63 2HB GLU 63 -0.541 -17.386 5.713 494 HG2 GLU 63 1HG GLU 63 -0.656 -15.647 3.932 495 HG3 GLU 63 2HG GLU 63 0.911 -15.059 4.488 496 H ASP 64 H ASP 64 -3.167 -16.754 6.631 497 HA ASP 64 HA ASP 64 -4.219 -15.950 4.171 498 HB2 ASP 64 1HB ASP 64 -5.621 -16.857 6.686 499 HB3 ASP 64 2HB ASP 64 -6.474 -16.561 5.176 500 H VAL 65 H VAL 65 -4.629 -14.511 7.356 501 HA VAL 65 HA VAL 65 -6.531 -12.580 6.461 502 HB VAL 65 HB VAL 65 -6.374 -13.453 8.815 503 HG11 VAL 65 1HG1 VAL 65 -3.996 -13.342 9.136 504 HG12 VAL 65 2HG1 VAL 65 -4.831 -12.389 10.362 505 HG13 VAL 65 3HG1 VAL 65 -4.037 -11.584 9.010 506 HG21 VAL 65 3HG2 VAL 65 -6.866 -11.229 9.876 507 HG22 VAL 65 1HG2 VAL 65 -7.765 -11.541 8.390 508 HG23 VAL 65 2HG2 VAL 65 -6.367 -10.467 8.369 509 H LEU 66 H LEU 66 -3.012 -12.586 6.690 510 HA LEU 66 HA LEU 66 -2.624 -9.816 7.006 511 HB2 LEU 66 1HB LEU 66 -0.835 -12.021 6.089 512 HB3 LEU 66 2HB LEU 66 -0.309 -10.362 5.896 513 HG LEU 66 HG LEU 66 0.663 -11.119 7.919 514 HD11 LEU 66 1HD1 LEU 66 -1.779 -9.606 8.775 515 HD12 LEU 66 2HD1 LEU 66 -0.363 -8.886 8.012 516 HD13 LEU 66 3HD1 LEU 66 -0.212 -9.678 9.581 517 HD21 LEU 66 3HD2 LEU 66 -0.645 -13.110 8.277 518 HD22 LEU 66 1HD2 LEU 66 -2.057 -12.140 8.693 519 HD23 LEU 66 2HD2 LEU 66 -0.638 -12.124 9.736 520 H PHE 67 H PHE 67 -2.415 -11.688 3.922 521 HA PHE 67 HA PHE 67 -1.865 -9.418 2.398 522 HB2 PHE 67 1HB PHE 67 -3.091 -12.048 1.536 523 HB3 PHE 67 2HB PHE 67 -2.567 -10.794 0.419 524 HD1 PHE 67 HD2 PHE 67 -0.084 -9.994 0.702 525 HD2 PHE 67 HD1 PHE 67 -1.618 -13.710 2.124 526 HE1 PHE 67 HE2 PHE 67 2.190 -10.927 0.725 527 HE2 PHE 67 HE1 PHE 67 0.660 -14.639 2.147 528 HZ PHE 67 HZ PHE 67 2.565 -13.250 1.445 529 H ASN 68 H ASN 68 -4.971 -10.772 3.347 530 HA ASN 68 HA ASN 68 -6.581 -9.277 1.592 531 HB2 ASN 68 1HB ASN 68 -7.462 -11.178 2.879 532 HB3 ASN 68 2HB ASN 68 -7.234 -10.285 4.379 533 HD21 ASN 68 2HD2 ASN 68 -8.718 -8.727 4.957 534 HD22 ASN 68 1HD2 ASN 68 -10.183 -8.444 4.085 535 H MET 69 H MET 69 -5.390 -8.558 4.854 536 HA MET 69 HA MET 69 -6.681 -6.038 5.076 537 HB2 MET 69 1HB MET 69 -4.257 -7.139 6.499 538 HB3 MET 69 2HB MET 69 -5.039 -5.621 6.916 539 HG2 MET 69 1HG MET 69 -7.120 -6.861 7.372 540 HG3 MET 69 2HG MET 69 -6.263 -8.363 7.047 541 HE1 MET 69 3HE MET 69 -4.415 -9.401 8.622 542 HE2 MET 69 1HE MET 69 -3.680 -8.521 9.963 543 HE3 MET 69 2HE MET 69 -3.451 -7.955 8.308 544 H CYS 70 H CYS 70 -3.596 -7.055 3.887 545 HA CYS 70 HA CYS 70 -2.317 -4.555 3.710 546 HB2 CYS 70 1HB CYS 70 -1.859 -7.047 2.072 547 HB3 CYS 70 2HB CYS 70 -0.809 -5.635 2.030 548 HG CYS 70 HG CYS 70 -1.389 -7.642 4.736 549 H THR 71 H THR 71 -4.414 -6.173 1.296 550 HA THR 71 HA THR 71 -3.794 -4.233 -0.708 551 HB THR 71 HB THR 71 -4.451 -6.467 -1.421 552 HG1 THR 71 HG1 THR 71 -6.632 -4.849 -2.189 553 HG21 THR 71 3HG2 THR 71 -7.148 -5.873 -0.190 554 HG22 THR 71 1HG2 THR 71 -5.976 -7.047 0.409 555 HG23 THR 71 2HG2 THR 71 -6.748 -7.292 -1.159 556 H ASP 72 H ASP 72 -6.451 -4.690 1.564 557 HA ASP 72 HA ASP 72 -8.126 -2.646 0.559 558 HB2 ASP 72 1HB ASP 72 -8.910 -4.463 2.051 559 HB3 ASP 72 2HB ASP 72 -8.016 -3.728 3.378 560 H TRP 73 H TRP 73 -5.354 -2.549 2.451 561 HA TRP 73 HA TRP 73 -6.054 -0.063 3.849 562 HB2 TRP 73 1HB TRP 73 -4.661 -1.858 5.014 563 HB3 TRP 73 2HB TRP 73 -3.342 -1.402 3.939 564 HD1 TRP 73 HD1 TRP 73 -5.464 0.007 6.821 565 HE1 TRP 73 HE1 TRP 73 -4.185 1.962 7.893 566 HE3 TRP 73 HE3 TRP 73 -1.569 0.318 3.540 567 HZ2 TRP 73 HZ2 TRP 73 -1.826 3.427 7.415 568 HZ3 TRP 73 HZ3 TRP 73 0.170 2.018 3.923 569 HH2 TRP 73 HH2 TRP 73 0.038 3.541 5.819 570 H LEU 74 H LEU 74 -4.032 -1.298 1.442 571 HA LEU 74 HA LEU 74 -2.628 1.137 0.737 572 HB2 LEU 74 1HB LEU 74 -2.881 -1.508 -0.671 573 HB3 LEU 74 2HB LEU 74 -2.123 -0.141 -1.461 574 HG LEU 74 HG LEU 74 -1.149 -1.393 1.138 575 HD11 LEU 74 1HD1 LEU 74 0.683 -2.251 -0.192 576 HD12 LEU 74 2HD1 LEU 74 -0.027 -1.573 -1.649 577 HD13 LEU 74 3HD1 LEU 74 -0.853 -2.870 -0.794 578 HD21 LEU 74 3HD2 LEU 74 0.833 0.015 0.755 579 HD22 LEU 74 1HD2 LEU 74 -0.620 0.983 1.006 580 HD23 LEU 74 2HD2 LEU 74 0.024 0.769 -0.618 581 H ASN 75 H ASN 75 -5.387 -0.554 -0.512 582 HA ASN 75 HA ASN 75 -5.962 1.075 -2.763 583 HB2 ASN 75 1HB ASN 75 -6.995 -1.108 -2.546 584 HB3 ASN 75 2HB ASN 75 -7.832 -0.600 -1.078 585 HD21 ASN 75 2HD2 ASN 75 -9.721 0.518 -1.234 586 HD22 ASN 75 1HD2 ASN 75 -10.496 0.876 -2.738 587 H HIS 76 H HIS 76 -6.808 1.312 0.577 588 HA HIS 76 HA HIS 76 -8.884 3.133 0.549 589 HB2 HIS 76 1HB HIS 76 -8.679 2.256 2.627 590 HB3 HIS 76 2HB HIS 76 -6.940 2.101 2.498 591 HD1 HIS 76 HD1 HIS 76 -9.510 4.846 3.160 592 HD2 HIS 76 HD2 HIS 76 -5.567 3.813 4.070 593 HE1 HIS 76 HE1 HIS 76 -8.723 6.591 4.782 594 H MET 77 H MET 77 -5.400 3.851 0.538 595 HA MET 77 HA MET 77 -5.904 6.642 0.972 596 HB2 MET 77 1HB MET 77 -3.451 6.931 0.620 597 HB3 MET 77 2HB MET 77 -3.912 5.838 1.916 598 HG2 MET 77 1HG MET 77 -3.452 3.929 0.450 599 HG3 MET 77 2HG MET 77 -2.957 5.043 -0.826 600 HE1 MET 77 3HE MET 77 -0.742 4.548 3.191 601 HE2 MET 77 1HE MET 77 -2.231 3.707 2.765 602 HE3 MET 77 2HE MET 77 -2.248 5.446 3.054 603 H TYR 78 H TYR 78 -5.737 4.707 -1.851 604 HA TYR 78 HA TYR 78 -4.691 6.572 -3.663 605 HB2 TYR 78 1HB TYR 78 -6.459 4.188 -4.026 606 HB3 TYR 78 2HB TYR 78 -6.105 5.246 -5.387 607 HD1 TYR 78 HD2 TYR 78 -3.665 5.624 -5.994 608 HD2 TYR 78 HD1 TYR 78 -4.932 2.541 -3.364 609 HE1 TYR 78 HE2 TYR 78 -1.558 4.449 -6.380 610 HE2 TYR 78 HE1 TYR 78 -2.817 1.343 -3.740 611 HH TYR 78 HH TYR 78 -1.053 1.227 -5.464 612 H ASP 79 H ASP 79 -8.121 6.048 -2.776 613 HA ASP 79 HA ASP 79 -9.037 7.931 -4.719 614 HB2 ASP 79 1HB ASP 79 -11.231 7.702 -3.753 615 HB3 ASP 79 2HB ASP 79 -10.478 6.113 -3.791 616 H GLN 80 H GLN 80 -8.420 8.156 -1.286 617 HA GLN 80 HA GLN 80 -9.330 10.740 -0.865 618 HB2 GLN 80 1HB GLN 80 -8.658 9.180 0.936 619 HB3 GLN 80 2HB GLN 80 -6.975 9.476 0.523 620 HG2 GLN 80 1HG GLN 80 -7.175 11.792 1.135 621 HG3 GLN 80 2HG GLN 80 -8.903 11.603 1.419 622 HE21 GLN 80 2HE2 GLN 80 -8.803 12.225 3.520 623 HE22 GLN 80 1HE2 GLN 80 -8.069 11.273 4.761 624 H LEU 81 H LEU 81 -6.147 9.748 -2.063 625 HA LEU 81 HA LEU 81 -5.167 12.463 -2.056 626 HB2 LEU 81 1HB LEU 81 -4.032 9.960 -3.304 627 HB3 LEU 81 2HB LEU 81 -3.217 11.514 -3.268 628 HG LEU 81 HG LEU 81 -3.988 9.909 -0.822 629 HD11 LEU 81 1HD1 LEU 81 -1.543 9.577 -0.596 630 HD12 LEU 81 2HD1 LEU 81 -1.340 10.259 -2.216 631 HD13 LEU 81 3HD1 LEU 81 -2.254 8.764 -1.989 632 HD21 LEU 81 3HD2 LEU 81 -2.572 11.516 0.372 633 HD22 LEU 81 1HD2 LEU 81 -3.951 12.304 -0.397 634 HD23 LEU 81 2HD2 LEU 81 -2.348 12.424 -1.124 635 H LYS 82 H LYS 82 -7.241 10.891 -3.916 636 HA LYS 82 HA LYS 82 -6.514 12.202 -6.442 637 HB2 LYS 82 1HB LYS 82 -8.605 10.142 -5.845 638 HB3 LYS 82 2HB LYS 82 -8.620 11.054 -7.350 639 HG2 LYS 82 1HG LYS 82 -6.378 10.263 -7.857 640 HG3 LYS 82 2HG LYS 82 -6.357 9.346 -6.354 641 HD2 LYS 82 1HD LYS 82 -8.187 7.992 -7.122 642 HD3 LYS 82 2HD LYS 82 -8.337 8.972 -8.581 643 HE2 LYS 82 1HE LYS 82 -5.940 7.304 -7.803 644 HE3 LYS 82 2HE LYS 82 -7.125 6.899 -9.048 645 HZ1 LYS 82 3HZ LYS 82 -5.296 9.246 -9.074 646 HZ2 LYS 82 1HZ LYS 82 -6.480 8.920 -10.237 647 HZ3 LYS 82 2HZ LYS 82 -5.175 7.874 -10.051 648 H ASP 83 H ASP 83 -8.392 12.759 -3.751 649 HA ASP 83 HA ASP 83 -10.475 14.308 -4.926 650 HB2 ASP 83 1HB ASP 83 -10.676 13.266 -2.697 651 HB3 ASP 83 2HB ASP 83 -9.461 14.383 -2.080 652 H TRP 84 H TRP 84 -7.198 15.009 -4.144 653 HA TRP 84 HA TRP 84 -7.744 17.891 -4.341 654 HB2 TRP 84 1HB TRP 84 -5.381 16.474 -3.102 655 HB3 TRP 84 2HB TRP 84 -5.522 18.217 -3.280 656 HD1 TRP 84 HD1 TRP 84 -7.905 19.219 -2.013 657 HE1 TRP 84 HE1 TRP 84 -8.721 18.640 0.358 658 HE3 TRP 84 HE3 TRP 84 -5.371 14.830 -1.330 659 HZ2 TRP 84 HZ2 TRP 84 -8.343 16.602 2.260 660 HZ3 TRP 84 HZ3 TRP 84 -5.652 13.629 0.800 661 HH2 TRP 84 HH2 TRP 84 -7.107 14.499 2.554 662 H LYS 85 H LYS 85 -7.471 18.571 -6.350 663 HA LYS 85 HA LYS 85 -6.612 18.906 -8.433 664 HB2 LYS 85 1HB LYS 85 -4.054 18.536 -6.873 665 HB3 LYS 85 2HB LYS 85 -4.126 19.150 -8.520 666 HG2 LYS 85 1HG LYS 85 -5.440 21.054 -7.773 667 HG3 LYS 85 2HG LYS 85 -5.428 20.430 -6.123 668 HD2 LYS 85 1HD LYS 85 -2.996 20.631 -6.068 669 HD3 LYS 85 2HD LYS 85 -3.005 21.252 -7.721 670 HE2 LYS 85 1HE LYS 85 -4.348 23.170 -6.993 671 HE3 LYS 85 2HE LYS 85 -4.359 22.537 -5.347 672 HZ1 LYS 85 3HZ LYS 85 -1.986 22.801 -5.241 673 HZ2 LYS 85 1HZ LYS 85 -2.701 24.269 -5.657 674 HZ3 LYS 85 2HZ LYS 85 -1.923 23.340 -6.837 Start of MODEL 9 1 HA MET 1 HA MET 1 13.607 -7.355 -3.759 2 HB2 MET 1 1HB MET 1 11.865 -8.018 -1.386 3 HB3 MET 1 2HB MET 1 13.610 -8.227 -1.392 4 HG2 MET 1 1HG MET 1 13.888 -5.834 -1.809 5 HG3 MET 1 2HG MET 1 12.138 -5.633 -1.779 6 HE1 MET 1 3HE MET 1 13.962 -3.847 0.010 7 HE2 MET 1 1HE MET 1 13.140 -3.931 1.568 8 HE3 MET 1 2HE MET 1 12.200 -3.791 0.082 9 H GLY 2 H GLY 2 14.624 -9.464 -2.695 10 HA2 GLY 2 1HA GLY 2 13.879 -11.574 -4.520 11 HA3 GLY 2 2HA GLY 2 15.258 -11.566 -3.435 12 H ARG 3 H ARG 3 11.762 -11.303 -2.829 13 HA ARG 3 HA ARG 3 11.952 -13.782 -1.259 14 HB2 ARG 3 1HB ARG 3 11.894 -11.801 0.251 15 HB3 ARG 3 2HB ARG 3 10.367 -11.322 -0.476 16 HG2 ARG 3 1HG ARG 3 9.344 -13.400 0.310 17 HG3 ARG 3 2HG ARG 3 10.875 -13.863 1.050 18 HD2 ARG 3 1HD ARG 3 9.246 -11.420 1.757 19 HD3 ARG 3 2HD ARG 3 9.291 -12.917 2.679 20 HE ARG 3 HE ARG 3 11.124 -10.781 2.846 21 HH11 ARG 3 1HH2 ARG 3 11.136 -14.305 2.813 22 HH12 ARG 3 2HH2 ARG 3 12.515 -14.434 3.843 23 HH21 ARG 3 1HH1 ARG 3 12.920 -10.969 4.275 24 HH22 ARG 3 2HH1 ARG 3 13.553 -12.537 4.642 25 H LEU 4 H LEU 4 10.433 -15.262 -1.789 26 HA LEU 4 HA LEU 4 8.283 -14.337 -3.572 27 HB2 LEU 4 1HB LEU 4 9.740 -16.974 -3.617 28 HB3 LEU 4 2HB LEU 4 8.397 -16.545 -4.655 29 HG LEU 4 HG LEU 4 11.105 -15.209 -4.650 30 HD11 LEU 4 1HD1 LEU 4 11.400 -16.278 -6.817 31 HD12 LEU 4 2HD1 LEU 4 9.841 -17.084 -6.640 32 HD13 LEU 4 3HD1 LEU 4 11.165 -17.476 -5.543 33 HD21 LEU 4 3HD2 LEU 4 10.294 -14.087 -6.684 34 HD22 LEU 4 1HD2 LEU 4 9.346 -13.645 -5.263 35 HD23 LEU 4 2HD2 LEU 4 8.701 -14.799 -6.430 36 H TYR 5 H TYR 5 6.295 -15.334 -3.482 37 HA TYR 5 HA TYR 5 5.766 -17.219 -1.319 38 HB2 TYR 5 1HB TYR 5 4.256 -14.642 -1.797 39 HB3 TYR 5 2HB TYR 5 3.629 -15.969 -0.828 40 HD1 TYR 5 HD2 TYR 5 5.209 -16.769 1.106 41 HD2 TYR 5 HD1 TYR 5 5.425 -12.945 -0.737 42 HE1 TYR 5 HE2 TYR 5 6.352 -15.887 3.091 43 HE2 TYR 5 HE1 TYR 5 6.573 -12.050 1.247 44 HH TYR 5 HH TYR 5 6.659 -12.685 3.759 45 H SER 6 H SER 6 3.728 -18.387 -1.644 46 HA SER 6 HA SER 6 3.367 -18.947 -4.450 47 HB2 SER 6 1HB SER 6 1.972 -20.211 -2.086 48 HB3 SER 6 2HB SER 6 2.089 -20.858 -3.722 49 HG SER 6 HG SER 6 3.743 -21.843 -2.850 50 H GLY 7 H GLY 7 0.841 -18.679 -1.945 51 HA2 GLY 7 1HA GLY 7 -0.826 -17.319 -3.954 52 HA3 GLY 7 2HA GLY 7 -1.441 -18.288 -2.624 53 H ASN 8 H ASN 8 0.793 -15.571 -2.921 54 HA ASN 8 HA ASN 8 -0.873 -14.119 -0.968 55 HB2 ASN 8 1HB ASN 8 2.158 -14.159 -1.017 56 HB3 ASN 8 2HB ASN 8 1.167 -13.190 0.066 57 HD21 ASN 8 2HD2 ASN 8 0.067 -14.211 1.754 58 HD22 ASN 8 1HD2 ASN 8 0.480 -15.802 2.278 59 H LEU 9 H LEU 9 1.971 -13.564 -2.972 60 HA LEU 9 HA LEU 9 1.460 -10.883 -3.545 61 HB2 LEU 9 1HB LEU 9 3.104 -12.844 -5.127 62 HB3 LEU 9 2HB LEU 9 3.178 -11.103 -5.286 63 HG LEU 9 HG LEU 9 3.937 -12.672 -2.820 64 HD11 LEU 9 1HD1 LEU 9 5.644 -11.243 -4.851 65 HD12 LEU 9 2HD1 LEU 9 5.520 -12.989 -4.636 66 HD13 LEU 9 3HD1 LEU 9 6.221 -11.992 -3.362 67 HD21 LEU 9 3HD2 LEU 9 4.125 -9.720 -3.420 68 HD22 LEU 9 1HD2 LEU 9 4.817 -10.521 -2.010 69 HD23 LEU 9 2HD2 LEU 9 3.069 -10.483 -2.233 70 H ALA 10 H ALA 10 -0.518 -13.254 -4.576 71 HA ALA 10 HA ALA 10 -0.787 -12.924 -7.338 72 HB1 ALA 10 3HB ALA 10 -1.835 -14.746 -6.078 73 HB2 ALA 10 1HB ALA 10 -3.005 -13.894 -7.084 74 HB3 ALA 10 2HB ALA 10 -2.954 -13.594 -5.347 75 H ALA 11 H ALA 11 -2.633 -11.301 -4.738 76 HA ALA 11 HA ALA 11 -3.852 -9.468 -6.624 77 HB1 ALA 11 3HB ALA 11 -4.959 -8.510 -4.671 78 HB2 ALA 11 1HB ALA 11 -3.938 -9.474 -3.603 79 HB3 ALA 11 2HB ALA 11 -5.101 -10.267 -4.665 80 H PHE 12 H PHE 12 -1.259 -9.592 -4.543 81 HA PHE 12 HA PHE 12 -0.628 -6.874 -4.087 82 HB2 PHE 12 1HB PHE 12 0.491 -8.790 -2.941 83 HB3 PHE 12 2HB PHE 12 1.395 -9.098 -4.421 84 HD1 PHE 12 HD2 PHE 12 3.174 -7.577 -5.129 85 HD2 PHE 12 HD1 PHE 12 1.023 -6.946 -1.505 86 HE1 PHE 12 HE2 PHE 12 4.903 -5.995 -4.382 87 HE2 PHE 12 HE1 PHE 12 2.748 -5.361 -0.755 88 HZ PHE 12 HZ PHE 12 4.692 -4.886 -2.194 89 H LYS 13 H LYS 13 0.547 -9.044 -6.672 90 HA LYS 13 HA LYS 13 1.976 -7.200 -8.151 91 HB2 LYS 13 1HB LYS 13 0.420 -9.627 -9.046 92 HB3 LYS 13 2HB LYS 13 1.491 -8.721 -10.104 93 HG2 LYS 13 1HG LYS 13 2.360 -10.042 -7.539 94 HG3 LYS 13 2HG LYS 13 2.506 -10.770 -9.142 95 HD2 LYS 13 1HD LYS 13 3.915 -8.907 -9.860 96 HD3 LYS 13 2HD LYS 13 3.757 -8.172 -8.266 97 HE2 LYS 13 1HE LYS 13 4.890 -10.059 -7.254 98 HE3 LYS 13 2HE LYS 13 4.979 -10.871 -8.815 99 HZ1 LYS 13 3HZ LYS 13 7.058 -9.753 -8.192 100 HZ2 LYS 13 1HZ LYS 13 6.256 -8.263 -8.202 101 HZ3 LYS 13 2HZ LYS 13 6.413 -9.152 -9.631 102 H ALA 14 H ALA 14 -1.492 -7.855 -8.219 103 HA ALA 14 HA ALA 14 -2.092 -6.414 -10.559 104 HB1 ALA 14 3HB ALA 14 -4.404 -6.419 -9.761 105 HB2 ALA 14 1HB ALA 14 -3.855 -6.943 -8.170 106 HB3 ALA 14 2HB ALA 14 -3.651 -8.000 -9.567 107 H ALA 15 H ALA 15 -1.918 -5.382 -7.183 108 HA ALA 15 HA ALA 15 -2.958 -2.763 -7.644 109 HB1 ALA 15 3HB ALA 15 -3.082 -3.853 -5.454 110 HB2 ALA 15 1HB ALA 15 -2.277 -2.287 -5.355 111 HB3 ALA 15 2HB ALA 15 -1.325 -3.771 -5.317 112 H THR 16 H THR 16 0.135 -4.153 -7.914 113 HA THR 16 HA THR 16 1.891 -2.056 -7.458 114 HB THR 16 HB THR 16 2.254 -4.081 -9.671 115 HG1 THR 16 HG1 THR 16 1.872 -4.571 -7.129 116 HG21 THR 16 3HG2 THR 16 4.255 -2.554 -7.991 117 HG22 THR 16 1HG2 THR 16 3.896 -2.255 -9.691 118 HG23 THR 16 2HG2 THR 16 4.649 -3.773 -9.203 119 H ASN 17 H ASN 17 0.187 -2.717 -10.528 120 HA ASN 17 HA ASN 17 1.474 -0.676 -12.005 121 HB2 ASN 17 1HB ASN 17 0.340 -2.498 -13.145 122 HB3 ASN 17 2HB ASN 17 -1.210 -1.995 -12.481 123 HD21 ASN 17 2HD2 ASN 17 1.317 -1.254 -14.765 124 HD22 ASN 17 1HD2 ASN 17 0.407 -0.132 -15.710 125 H LYS 18 H LYS 18 -1.049 -0.493 -9.646 126 HA LYS 18 HA LYS 18 -2.368 1.810 -10.681 127 HB2 LYS 18 1HB LYS 18 -2.404 0.526 -7.949 128 HB3 LYS 18 2HB LYS 18 -3.394 1.908 -8.396 129 HG2 LYS 18 1HG LYS 18 -3.491 -0.795 -9.724 130 HG3 LYS 18 2HG LYS 18 -4.625 -0.211 -8.502 131 HD2 LYS 18 1HD LYS 18 -5.269 1.631 -9.991 132 HD3 LYS 18 2HD LYS 18 -4.138 1.038 -11.208 133 HE2 LYS 18 1HE LYS 18 -5.391 -1.055 -11.355 134 HE3 LYS 18 2HE LYS 18 -6.513 -0.467 -10.130 135 HZ1 LYS 18 3HZ LYS 18 -6.070 0.756 -12.798 136 HZ2 LYS 18 1HZ LYS 18 -7.143 1.325 -11.620 137 HZ3 LYS 18 2HZ LYS 18 -7.406 -0.175 -12.347 138 H LEU 19 H LEU 19 0.305 1.217 -8.520 139 HA LEU 19 HA LEU 19 0.429 3.666 -7.191 140 HB2 LEU 19 1HB LEU 19 2.509 1.616 -7.881 141 HB3 LEU 19 2HB LEU 19 2.975 3.113 -7.112 142 HG LEU 19 HG LEU 19 1.382 2.520 -5.236 143 HD11 LEU 19 1HD1 LEU 19 0.780 0.172 -4.987 144 HD12 LEU 19 2HD1 LEU 19 1.426 -0.164 -6.592 145 HD13 LEU 19 3HD1 LEU 19 0.023 0.888 -6.410 146 HD21 LEU 19 3HD2 LEU 19 3.792 2.278 -5.033 147 HD22 LEU 19 1HD2 LEU 19 3.706 0.680 -5.774 148 HD23 LEU 19 2HD2 LEU 19 2.958 0.966 -4.202 149 H PHE 20 H PHE 20 1.611 2.736 -10.359 150 HA PHE 20 HA PHE 20 3.301 4.941 -10.795 151 HB2 PHE 20 1HB PHE 20 3.228 2.826 -12.168 152 HB3 PHE 20 2HB PHE 20 1.762 3.441 -12.922 153 HD1 PHE 20 HD1 PHE 20 5.337 4.237 -12.351 154 HD2 PHE 20 HD2 PHE 20 1.896 4.862 -14.769 155 HE1 PHE 20 HE1 PHE 20 6.710 5.455 -13.984 156 HE2 PHE 20 HE2 PHE 20 3.270 6.081 -16.406 157 HZ PHE 20 HZ PHE 20 5.673 6.378 -16.014 158 H GLN 21 H GLN 21 -0.163 4.557 -11.043 159 HA GLN 21 HA GLN 21 -0.602 6.994 -12.513 160 HB2 GLN 21 1HB GLN 21 -2.556 5.294 -10.951 161 HB3 GLN 21 2HB GLN 21 -2.985 6.585 -12.060 162 HG2 GLN 21 1HG GLN 21 -1.603 4.007 -12.782 163 HG3 GLN 21 2HG GLN 21 -3.293 4.404 -13.086 164 HE21 GLN 21 2HE2 GLN 21 -0.047 4.758 -14.134 165 HE22 GLN 21 1HE2 GLN 21 -0.379 5.631 -15.585 166 H LEU 22 H LEU 22 0.273 6.355 -9.545 167 HA LEU 22 HA LEU 22 -0.927 8.833 -8.413 168 HB2 LEU 22 1HB LEU 22 -1.814 6.829 -7.244 169 HB3 LEU 22 2HB LEU 22 -0.192 6.449 -6.709 170 HG LEU 22 HG LEU 22 -0.125 8.490 -5.364 171 HD11 LEU 22 1HD1 LEU 22 -2.944 8.915 -6.358 172 HD12 LEU 22 2HD1 LEU 22 -1.543 9.917 -6.740 173 HD13 LEU 22 3HD1 LEU 22 -2.153 9.848 -5.089 174 HD21 LEU 22 3HD2 LEU 22 -1.033 6.385 -4.431 175 HD22 LEU 22 1HD2 LEU 22 -2.651 6.919 -4.879 176 HD23 LEU 22 2HD2 LEU 22 -1.723 7.824 -3.682 177 H ASP 23 H ASP 23 1.810 7.315 -9.276 178 HA ASP 23 HA ASP 23 4.029 7.924 -9.376 179 HB2 ASP 23 1HB ASP 23 2.912 10.607 -8.549 180 HB3 ASP 23 2HB ASP 23 4.598 10.347 -8.980 181 H LEU 24 H LEU 24 3.814 6.401 -7.311 182 HA LEU 24 HA LEU 24 5.587 7.619 -5.401 183 HB2 LEU 24 1HB LEU 24 4.276 6.800 -3.398 184 HB3 LEU 24 2HB LEU 24 3.689 8.234 -4.205 185 HG LEU 24 HG LEU 24 1.936 6.823 -5.305 186 HD11 LEU 24 1HD1 LEU 24 3.038 4.655 -5.165 187 HD12 LEU 24 2HD1 LEU 24 1.460 4.616 -4.377 188 HD13 LEU 24 3HD1 LEU 24 2.930 4.704 -3.405 189 HD21 LEU 24 3HD2 LEU 24 2.033 6.864 -2.295 190 HD22 LEU 24 1HD2 LEU 24 0.582 6.579 -3.256 191 HD23 LEU 24 2HD2 LEU 24 1.411 8.130 -3.355 192 H ALA 25 H ALA 25 6.086 5.926 -3.542 193 HA ALA 25 HA ALA 25 6.504 3.306 -4.815 194 HB1 ALA 25 3HB ALA 25 8.740 3.222 -3.820 195 HB2 ALA 25 1HB ALA 25 8.509 4.835 -3.148 196 HB3 ALA 25 2HB ALA 25 8.585 4.611 -4.895 197 H VAL 26 H VAL 26 7.476 1.780 -2.871 198 HA VAL 26 HA VAL 26 6.092 2.236 -0.401 199 HB VAL 26 HB VAL 26 4.206 1.343 -1.605 200 HG11 VAL 26 1HG1 VAL 26 5.964 -0.963 -2.412 201 HG12 VAL 26 2HG1 VAL 26 5.344 0.304 -3.474 202 HG13 VAL 26 3HG1 VAL 26 4.230 -0.835 -2.712 203 HG21 VAL 26 3HG2 VAL 26 3.719 -0.692 -0.345 204 HG22 VAL 26 1HG2 VAL 26 4.465 0.540 0.672 205 HG23 VAL 26 2HG2 VAL 26 5.421 -0.824 0.095 206 H ILE 27 H ILE 27 7.371 1.499 1.162 207 HA ILE 27 HA ILE 27 9.003 -0.899 0.612 208 HB ILE 27 HB ILE 27 10.850 -0.048 1.980 209 HG12 ILE 27 1HG1 ILE 27 9.374 1.591 3.305 210 HG13 ILE 27 2HG1 ILE 27 10.991 2.130 2.877 211 HG21 ILE 27 1HG2 ILE 27 11.711 1.617 0.391 212 HG22 ILE 27 2HG2 ILE 27 10.102 1.737 -0.320 213 HG23 ILE 27 3HG2 ILE 27 10.989 0.215 -0.397 214 HD11 ILE 27 3HD1 ILE 27 8.430 2.905 1.490 215 HD12 ILE 27 1HD1 ILE 27 10.047 3.431 1.024 216 HD13 ILE 27 2HD1 ILE 27 9.381 3.907 2.585 217 H TYR 28 H TYR 28 9.390 -2.336 2.245 218 HA TYR 28 HA TYR 28 7.843 -1.911 4.720 219 HB2 TYR 28 1HB TYR 28 7.327 -4.276 4.783 220 HB3 TYR 28 2HB TYR 28 6.860 -3.642 3.211 221 HD1 TYR 28 HD2 TYR 28 8.336 -4.146 1.214 222 HD2 TYR 28 HD1 TYR 28 8.888 -6.038 4.987 223 HE1 TYR 28 HE2 TYR 28 9.658 -5.916 0.131 224 HE2 TYR 28 HE1 TYR 28 10.212 -7.810 3.914 225 HH TYR 28 HH TYR 28 11.492 -7.548 0.880 226 H ASP 29 H ASP 29 8.626 -3.242 6.571 227 HA ASP 29 HA ASP 29 11.583 -3.184 6.611 228 HB2 ASP 29 1HB ASP 29 9.621 -3.020 8.911 229 HB3 ASP 29 2HB ASP 29 11.357 -3.169 9.113 230 H ASP 30 H ASP 30 12.502 -5.109 6.408 231 HA ASP 30 HA ASP 30 11.188 -7.539 7.136 232 HB2 ASP 30 1HB ASP 30 12.900 -7.158 5.241 233 HB3 ASP 30 2HB ASP 30 14.127 -7.190 6.496 234 H TRP 31 H TRP 31 12.945 -9.116 8.475 235 HA TRP 31 HA TRP 31 12.602 -8.101 11.131 236 HB2 TRP 31 1HB TRP 31 13.479 -10.214 11.940 237 HB3 TRP 31 2HB TRP 31 12.342 -10.513 10.636 238 HD1 TRP 31 HD1 TRP 31 16.153 -10.463 11.274 239 HE1 TRP 31 HE1 TRP 31 17.268 -12.115 9.673 240 HE3 TRP 31 HE3 TRP 31 12.052 -11.811 8.544 241 HZ2 TRP 31 HZ2 TRP 31 16.511 -13.790 7.529 242 HZ3 TRP 31 HZ3 TRP 31 12.340 -13.451 6.736 243 HH2 TRP 31 HH2 TRP 31 14.522 -14.418 6.244 244 H TYR 32 H TYR 32 14.228 -7.835 12.768 245 HA TYR 32 HA TYR 32 16.618 -6.570 11.644 246 HB2 TYR 32 1HB TYR 32 15.265 -6.237 14.317 247 HB3 TYR 32 2HB TYR 32 16.800 -5.485 13.900 248 HD1 TYR 32 HD1 TYR 32 13.186 -5.516 13.217 249 HD2 TYR 32 HD2 TYR 32 16.904 -3.624 12.391 250 HE1 TYR 32 HE1 TYR 32 11.993 -3.640 12.170 251 HE2 TYR 32 HE2 TYR 32 15.724 -1.742 11.346 252 HH TYR 32 HH TYR 32 13.509 -1.377 10.223 253 H ASP 33 H ASP 33 15.940 -9.504 12.709 254 HA ASP 33 HA ASP 33 17.184 -11.296 13.410 255 HB2 ASP 33 1HB ASP 33 19.494 -9.399 12.912 256 HB3 ASP 33 2HB ASP 33 19.684 -11.107 13.278 257 H ALA 34 H ALA 34 16.264 -9.218 15.315 258 HA ALA 34 HA ALA 34 18.167 -9.809 17.485 259 HB1 ALA 34 3HB ALA 34 17.421 -7.794 18.599 260 HB2 ALA 34 1HB ALA 34 16.258 -7.490 17.310 261 HB3 ALA 34 2HB ALA 34 17.987 -7.430 16.969 262 H TYR 35 H TYR 35 17.367 -11.631 18.371 263 HA TYR 35 HA TYR 35 14.893 -12.464 18.999 264 HB2 TYR 35 1HB TYR 35 15.787 -13.724 20.838 265 HB3 TYR 35 2HB TYR 35 17.013 -13.643 19.580 266 HD1 TYR 35 HD2 TYR 35 18.964 -12.055 19.891 267 HD2 TYR 35 HD1 TYR 35 16.200 -12.891 23.015 268 HE1 TYR 35 HE2 TYR 35 20.571 -11.192 21.545 269 HE2 TYR 35 HE1 TYR 35 17.799 -12.032 24.668 270 HH TYR 35 HH TYR 35 20.626 -10.304 23.772 271 H THR 36 H THR 36 16.205 -9.634 20.234 272 HA THR 36 HA THR 36 14.405 -9.556 22.551 273 HB THR 36 HB THR 36 16.713 -8.797 22.967 274 HG1 THR 36 HG1 THR 36 15.307 -7.801 24.307 275 HG21 THR 36 3HG2 THR 36 17.504 -6.665 22.006 276 HG22 THR 36 1HG2 THR 36 16.074 -6.617 20.978 277 HG23 THR 36 2HG2 THR 36 17.262 -7.904 20.774 278 H ARG 37 H ARG 37 14.267 -8.881 19.356 279 HA ARG 37 HA ARG 37 12.368 -6.666 19.684 280 HB2 ARG 37 1HB ARG 37 14.173 -5.965 18.273 281 HB3 ARG 37 2HB ARG 37 14.115 -7.460 17.353 282 HG2 ARG 37 1HG ARG 37 13.167 -5.740 16.011 283 HG3 ARG 37 2HG ARG 37 11.855 -6.792 16.538 284 HD2 ARG 37 1HD ARG 37 11.412 -5.154 18.381 285 HD3 ARG 37 2HD ARG 37 12.585 -4.079 17.621 286 HE ARG 37 HE ARG 37 9.951 -4.823 16.581 287 HH11 ARG 37 1HH2 ARG 37 12.919 -2.977 16.139 288 HH12 ARG 37 2HH2 ARG 37 12.222 -1.928 14.950 289 HH21 ARG 37 1HH1 ARG 37 9.049 -3.415 15.020 290 HH22 ARG 37 2HH1 ARG 37 10.037 -2.178 14.312 291 H LYS 38 H LYS 38 10.307 -7.025 19.184 292 HA LYS 38 HA LYS 38 9.633 -9.509 17.788 293 HB2 LYS 38 1HB LYS 38 7.356 -9.203 18.777 294 HB3 LYS 38 2HB LYS 38 8.621 -9.423 19.973 295 HG2 LYS 38 1HG LYS 38 8.617 -7.041 20.452 296 HG3 LYS 38 2HG LYS 38 7.413 -6.772 19.188 297 HD2 LYS 38 1HD LYS 38 6.306 -6.809 21.334 298 HD3 LYS 38 2HD LYS 38 5.854 -8.254 20.431 299 HE2 LYS 38 1HE LYS 38 7.501 -9.556 21.688 300 HE3 LYS 38 2HE LYS 38 7.968 -8.110 22.580 301 HZ1 LYS 38 3HZ LYS 38 5.759 -7.995 23.503 302 HZ2 LYS 38 1HZ LYS 38 6.433 -9.510 23.820 303 HZ3 LYS 38 2HZ LYS 38 5.270 -9.339 22.605 304 H ASP 39 H ASP 39 9.155 -9.279 15.722 305 HA ASP 39 HA ASP 39 7.558 -7.047 14.778 306 HB2 ASP 39 1HB ASP 39 9.203 -6.375 13.062 307 HB3 ASP 39 2HB ASP 39 9.822 -6.115 14.690 308 H CYS 40 H CYS 40 7.390 -7.257 12.248 309 HA CYS 40 HA CYS 40 7.646 -9.917 11.217 310 HB2 CYS 40 1HB CYS 40 5.572 -10.102 12.577 311 HB3 CYS 40 2HB CYS 40 4.852 -8.817 11.617 312 HG CYS 40 HG CYS 40 5.591 -10.695 9.280 313 H ILE 41 H ILE 41 5.080 -7.702 10.213 314 HA ILE 41 HA ILE 41 6.709 -6.935 7.864 315 HB ILE 41 HB ILE 41 3.734 -7.544 7.941 316 HG12 ILE 41 1HG1 ILE 41 5.297 -9.541 7.894 317 HG13 ILE 41 2HG1 ILE 41 4.161 -9.442 6.556 318 HG21 ILE 41 1HG2 ILE 41 5.447 -6.606 5.645 319 HG22 ILE 41 2HG2 ILE 41 4.184 -5.682 6.459 320 HG23 ILE 41 3HG2 ILE 41 3.761 -7.113 5.516 321 HD11 ILE 41 3HD1 ILE 41 6.383 -10.137 5.839 322 HD12 ILE 41 1HD1 ILE 41 7.056 -8.620 6.438 323 HD13 ILE 41 2HD1 ILE 41 5.896 -8.616 5.101 324 H ARG 42 H ARG 42 7.147 -4.756 8.217 325 HA ARG 42 HA ARG 42 4.868 -3.100 9.091 326 HB2 ARG 42 1HB ARG 42 7.806 -2.389 9.017 327 HB3 ARG 42 2HB ARG 42 6.518 -1.387 9.659 328 HG2 ARG 42 1HG ARG 42 6.089 -3.086 11.388 329 HG3 ARG 42 2HG ARG 42 7.446 -4.027 10.768 330 HD2 ARG 42 1HD ARG 42 8.359 -2.832 12.548 331 HD3 ARG 42 2HD ARG 42 8.828 -1.899 11.127 332 HE ARG 42 HE ARG 42 6.625 -1.196 12.961 333 HH11 ARG 42 1HH2 ARG 42 9.045 -0.197 10.564 334 HH12 ARG 42 2HH2 ARG 42 8.796 1.482 10.891 335 HH21 ARG 42 1HH1 ARG 42 6.342 1.023 13.343 336 HH22 ARG 42 2HH1 ARG 42 7.285 2.180 12.468 337 H LEU 43 H LEU 43 3.924 -1.794 7.599 338 HA LEU 43 HA LEU 43 5.317 -1.516 5.026 339 HB2 LEU 43 1HB LEU 43 3.045 -2.610 5.112 340 HB3 LEU 43 2HB LEU 43 2.379 -1.078 5.625 341 HG LEU 43 HG LEU 43 3.098 -0.075 3.466 342 HD11 LEU 43 1HD1 LEU 43 3.776 -1.592 1.663 343 HD12 LEU 43 2HD1 LEU 43 3.856 -2.921 2.820 344 HD13 LEU 43 3HD1 LEU 43 4.958 -1.552 2.969 345 HD21 LEU 43 3HD2 LEU 43 0.829 -0.932 3.761 346 HD22 LEU 43 1HD2 LEU 43 1.362 -2.532 3.246 347 HD23 LEU 43 2HD2 LEU 43 1.398 -1.183 2.110 348 H ARG 44 H ARG 44 6.405 0.337 4.878 349 HA ARG 44 HA ARG 44 5.314 2.770 6.120 350 HB2 ARG 44 1HB ARG 44 7.520 2.124 6.878 351 HB3 ARG 44 2HB ARG 44 8.100 2.048 5.223 352 HG2 ARG 44 1HG ARG 44 7.702 4.494 5.023 353 HG3 ARG 44 2HG ARG 44 7.266 4.519 6.735 354 HD2 ARG 44 1HD ARG 44 9.909 3.529 5.669 355 HD3 ARG 44 2HD ARG 44 9.634 5.162 6.267 356 HE ARG 44 HE ARG 44 9.263 4.255 8.445 357 HH11 ARG 44 1HH2 ARG 44 10.514 1.935 6.116 358 HH12 ARG 44 2HH2 ARG 44 11.156 0.880 7.328 359 HH21 ARG 44 1HH1 ARG 44 10.197 2.887 10.030 360 HH22 ARG 44 2HH1 ARG 44 10.990 1.425 9.542 361 H ILE 45 H ILE 45 4.445 4.268 4.831 362 HA ILE 45 HA ILE 45 5.356 4.429 2.035 363 HB ILE 45 HB ILE 45 2.821 5.557 3.272 364 HG12 ILE 45 1HG1 ILE 45 2.764 3.099 3.167 365 HG13 ILE 45 2HG1 ILE 45 1.631 3.810 2.025 366 HG21 ILE 45 1HG2 ILE 45 3.616 6.870 1.373 367 HG22 ILE 45 2HG2 ILE 45 2.138 6.003 0.960 368 HG23 ILE 45 3HG2 ILE 45 3.696 5.411 0.385 369 HD11 ILE 45 3HD1 ILE 45 3.236 3.413 0.216 370 HD12 ILE 45 1HD1 ILE 45 2.767 1.925 1.039 371 HD13 ILE 45 2HD1 ILE 45 4.333 2.661 1.375 372 H GLU 46 H GLU 46 6.536 6.208 1.462 373 HA GLU 46 HA GLU 46 6.275 8.616 3.030 374 HB2 GLU 46 1HB GLU 46 8.849 8.785 3.049 375 HB3 GLU 46 2HB GLU 46 8.078 7.747 4.235 376 HG2 GLU 46 1HG GLU 46 9.976 6.593 3.424 377 HG3 GLU 46 2HG GLU 46 8.562 5.811 2.724 378 H ASP 47 H ASP 47 8.071 10.235 1.921 379 HA ASP 47 HA ASP 47 7.492 10.022 -0.953 380 HB2 ASP 47 1HB ASP 47 5.979 11.622 0.074 381 HB3 ASP 47 2HB ASP 47 7.352 12.478 0.769 382 H ARG 48 H ARG 48 8.905 10.997 -2.349 383 HA ARG 48 HA ARG 48 11.658 11.096 -1.367 384 HB2 ARG 48 1HB ARG 48 12.417 10.734 -3.618 385 HB3 ARG 48 2HB ARG 48 11.156 9.570 -3.266 386 HG2 ARG 48 1HG ARG 48 10.742 12.102 -4.850 387 HG3 ARG 48 2HG ARG 48 11.066 10.521 -5.555 388 HD2 ARG 48 1HD ARG 48 9.017 9.670 -4.436 389 HD3 ARG 48 2HD ARG 48 8.694 11.314 -3.884 390 HE ARG 48 HE ARG 48 9.050 11.113 -6.717 391 HH11 ARG 48 1HH2 ARG 48 6.744 10.998 -4.064 392 HH12 ARG 48 2HH2 ARG 48 5.372 11.126 -5.108 393 HH21 ARG 48 1HH1 ARG 48 7.225 11.328 -8.072 394 HH22 ARG 48 2HH1 ARG 48 5.638 11.316 -7.377 395 H SER 49 H SER 49 9.509 13.362 -1.383 396 HA SER 49 HA SER 49 11.267 15.371 -2.577 397 HB2 SER 49 1HB SER 49 9.081 15.138 -3.806 398 HB3 SER 49 2HB SER 49 8.241 15.534 -2.308 399 HG SER 49 HG SER 49 10.103 17.400 -2.758 400 H GLY 50 H GLY 50 11.014 14.026 0.067 401 HA2 GLY 50 1HA GLY 50 11.484 14.716 2.227 402 HA3 GLY 50 2HA GLY 50 11.306 16.375 1.687 403 H ASN 51 H ASN 51 9.172 13.512 2.073 404 HA ASN 51 HA ASN 51 7.516 15.042 3.881 405 HB2 ASN 51 1HB ASN 51 6.358 13.943 1.295 406 HB3 ASN 51 2HB ASN 51 5.400 14.494 2.658 407 HD21 ASN 51 2HD2 ASN 51 7.100 15.367 -0.155 408 HD22 ASN 51 1HD2 ASN 51 6.857 17.080 -0.042 409 H LEU 52 H LEU 52 6.022 13.755 5.015 410 HA LEU 52 HA LEU 52 6.721 10.883 5.055 411 HB2 LEU 52 1HB LEU 52 5.708 12.618 7.320 412 HB3 LEU 52 2HB LEU 52 6.098 10.913 7.439 413 HG LEU 52 HG LEU 52 8.083 13.114 6.849 414 HD11 LEU 52 1HD1 LEU 52 8.939 12.662 9.086 415 HD12 LEU 52 2HD1 LEU 52 7.633 11.510 9.358 416 HD13 LEU 52 3HD1 LEU 52 7.267 13.221 9.133 417 HD21 LEU 52 3HD2 LEU 52 8.493 10.165 7.345 418 HD22 LEU 52 1HD2 LEU 52 9.770 11.370 7.181 419 HD23 LEU 52 2HD2 LEU 52 8.723 11.007 5.811 420 H ILE 53 H ILE 53 5.068 9.460 4.683 421 HA ILE 53 HA ILE 53 2.458 10.730 4.244 422 HB ILE 53 HB ILE 53 3.461 8.138 3.064 423 HG12 ILE 53 1HG1 ILE 53 4.669 10.076 2.164 424 HG13 ILE 53 2HG1 ILE 53 3.596 9.398 0.947 425 HG21 ILE 53 1HG2 ILE 53 1.035 8.164 3.322 426 HG22 ILE 53 2HG2 ILE 53 1.477 8.286 1.620 427 HG23 ILE 53 3HG2 ILE 53 0.951 9.720 2.500 428 HD11 ILE 53 3HD1 ILE 53 3.543 11.813 0.884 429 HD12 ILE 53 1HD1 ILE 53 3.093 11.875 2.588 430 HD13 ILE 53 2HD1 ILE 53 1.978 11.190 1.406 431 H ASP 54 H ASP 54 3.627 7.458 5.265 432 HA ASP 54 HA ASP 54 1.844 7.443 7.497 433 HB2 ASP 54 1HB ASP 54 0.425 7.030 5.289 434 HB3 ASP 54 2HB ASP 54 1.016 5.386 5.498 435 H THR 55 H THR 55 1.682 5.189 8.469 436 HA THR 55 HA THR 55 3.812 3.353 7.826 437 HB THR 55 HB THR 55 3.829 4.734 10.530 438 HG1 THR 55 HG1 THR 55 4.933 5.441 8.184 439 HG21 THR 55 3HG2 THR 55 5.733 2.712 9.326 440 HG22 THR 55 1HG2 THR 55 4.556 2.379 10.598 441 HG23 THR 55 2HG2 THR 55 5.899 3.479 10.905 442 H SER 56 H SER 56 3.392 1.282 8.690 443 HA SER 56 HA SER 56 1.284 0.935 10.639 444 HB2 SER 56 1HB SER 56 0.930 -0.123 7.824 445 HB3 SER 56 2HB SER 56 -0.093 -0.543 9.198 446 HG SER 56 HG SER 56 0.136 2.131 8.990 447 H THR 57 H THR 57 1.223 -1.165 11.559 448 HA THR 57 HA THR 57 3.449 -2.919 10.752 449 HB THR 57 HB THR 57 2.376 -2.472 13.558 450 HG1 THR 57 HG1 THR 57 3.791 -0.899 13.510 451 HG21 THR 57 3HG2 THR 57 3.131 -4.785 13.197 452 HG22 THR 57 1HG2 THR 57 4.225 -3.919 14.276 453 HG23 THR 57 2HG2 THR 57 4.676 -4.188 12.593 454 H PHE 58 H PHE 58 2.853 -4.890 10.118 455 HA PHE 58 HA PHE 58 0.123 -5.762 10.745 456 HB2 PHE 58 1HB PHE 58 1.829 -6.242 8.310 457 HB3 PHE 58 2HB PHE 58 0.357 -7.143 8.638 458 HD1 PHE 58 HD2 PHE 58 -1.823 -6.011 8.604 459 HD2 PHE 58 HD1 PHE 58 1.764 -3.987 7.528 460 HE1 PHE 58 HE2 PHE 58 -3.149 -4.241 7.522 461 HE2 PHE 58 HE1 PHE 58 0.443 -2.214 6.445 462 HZ PHE 58 HZ PHE 58 -2.016 -2.341 6.442 463 H TYR 59 H TYR 59 -0.004 -7.341 12.118 464 HA TYR 59 HA TYR 59 1.403 -9.795 11.647 465 HB2 TYR 59 1HB TYR 59 2.251 -10.101 13.917 466 HB3 TYR 59 2HB TYR 59 2.945 -8.639 13.240 467 HD1 TYR 59 HD2 TYR 59 2.113 -6.411 14.046 468 HD2 TYR 59 HD1 TYR 59 0.947 -10.062 15.894 469 HE1 TYR 59 HE2 TYR 59 1.409 -5.169 16.049 470 HE2 TYR 59 HE1 TYR 59 0.242 -8.830 17.899 471 HH TYR 59 HH TYR 59 -0.215 -5.531 17.963 472 H HIS 60 H HIS 60 0.028 -11.484 12.032 473 HA HIS 60 HA HIS 60 -2.205 -11.316 13.799 474 HB2 HIS 60 1HB HIS 60 -2.724 -9.643 11.886 475 HB3 HIS 60 2HB HIS 60 -2.914 -11.057 10.865 476 HD1 HIS 60 HD1 HIS 60 -5.204 -12.087 10.827 477 HD2 HIS 60 HD2 HIS 60 -4.670 -9.528 14.048 478 HE1 HIS 60 HE1 HIS 60 -7.459 -11.888 11.907 479 H HIS 61 H HIS 61 -3.978 -12.936 12.643 480 HA HIS 61 HA HIS 61 -2.917 -15.510 12.601 481 HB2 HIS 61 1HB HIS 61 -5.440 -14.511 12.817 482 HB3 HIS 61 2HB HIS 61 -5.480 -15.145 11.174 483 HD1 HIS 61 HD1 HIS 61 -6.771 -17.289 11.439 484 HD2 HIS 61 HD2 HIS 61 -3.782 -16.879 14.303 485 HE1 HIS 61 HE1 HIS 61 -6.713 -19.473 12.671 486 H ASP 62 H ASP 62 -3.387 -17.048 10.674 487 HA ASP 62 HA ASP 62 -1.328 -16.940 8.988 488 HB2 ASP 62 1HB ASP 62 -2.786 -18.871 9.191 489 HB3 ASP 62 2HB ASP 62 -4.054 -18.019 8.307 490 H GLU 63 H GLU 63 -0.731 -16.261 7.113 491 HA GLU 63 HA GLU 63 -1.049 -13.865 6.077 492 HB2 GLU 63 1HB GLU 63 -0.561 -16.226 4.287 493 HB3 GLU 63 2HB GLU 63 0.054 -14.588 4.102 494 HG2 GLU 63 1HG GLU 63 0.801 -16.551 6.260 495 HG3 GLU 63 2HG GLU 63 1.790 -16.058 4.892 496 H ASP 64 H ASP 64 -3.349 -16.417 5.392 497 HA ASP 64 HA ASP 64 -4.505 -15.487 3.036 498 HB2 ASP 64 1HB ASP 64 -5.227 -17.590 3.940 499 HB3 ASP 64 2HB ASP 64 -5.743 -16.836 5.444 500 H VAL 65 H VAL 65 -5.334 -14.601 6.416 501 HA VAL 65 HA VAL 65 -7.192 -12.613 5.604 502 HB VAL 65 HB VAL 65 -7.390 -13.871 7.735 503 HG11 VAL 65 1HG1 VAL 65 -5.063 -14.048 8.334 504 HG12 VAL 65 2HG1 VAL 65 -5.990 -13.317 9.643 505 HG13 VAL 65 3HG1 VAL 65 -4.978 -12.309 8.608 506 HG21 VAL 65 3HG2 VAL 65 -8.569 -11.783 7.591 507 HG22 VAL 65 1HG2 VAL 65 -7.109 -10.880 8.002 508 HG23 VAL 65 2HG2 VAL 65 -7.868 -11.914 9.205 509 H LEU 66 H LEU 66 -3.793 -12.694 6.371 510 HA LEU 66 HA LEU 66 -3.439 -10.038 7.213 511 HB2 LEU 66 1HB LEU 66 -1.916 -12.075 7.506 512 HB3 LEU 66 2HB LEU 66 -1.321 -11.724 5.902 513 HG LEU 66 HG LEU 66 0.144 -10.919 7.755 514 HD11 LEU 66 1HD1 LEU 66 -0.947 -8.763 5.963 515 HD12 LEU 66 2HD1 LEU 66 0.330 -9.911 5.561 516 HD13 LEU 66 3HD1 LEU 66 0.589 -8.708 6.824 517 HD21 LEU 66 3HD2 LEU 66 -2.064 -8.927 8.254 518 HD22 LEU 66 1HD2 LEU 66 -0.490 -8.975 9.046 519 HD23 LEU 66 2HD2 LEU 66 -1.648 -10.277 9.310 520 H PHE 67 H PHE 67 -2.594 -11.458 3.977 521 HA PHE 67 HA PHE 67 -1.913 -8.907 2.982 522 HB2 PHE 67 1HB PHE 67 -2.269 -11.568 1.635 523 HB3 PHE 67 2HB PHE 67 -1.823 -10.110 0.752 524 HD1 PHE 67 HD1 PHE 67 -0.721 -12.609 3.177 525 HD2 PHE 67 HD2 PHE 67 0.383 -9.075 1.062 526 HE1 PHE 67 HE1 PHE 67 1.619 -12.971 3.786 527 HE2 PHE 67 HE2 PHE 67 2.726 -9.446 1.669 528 HZ PHE 67 HZ PHE 67 3.353 -11.395 3.033 529 H ASN 68 H ASN 68 -4.920 -10.617 3.072 530 HA ASN 68 HA ASN 68 -6.250 -9.351 0.952 531 HB2 ASN 68 1HB ASN 68 -7.198 -11.271 2.193 532 HB3 ASN 68 2HB ASN 68 -7.390 -10.256 3.616 533 HD21 ASN 68 2HD2 ASN 68 -9.609 -10.615 3.679 534 HD22 ASN 68 1HD2 ASN 68 -10.694 -9.909 2.536 535 H MET 69 H MET 69 -5.794 -8.393 4.307 536 HA MET 69 HA MET 69 -7.257 -5.968 4.154 537 HB2 MET 69 1HB MET 69 -5.075 -6.853 6.043 538 HB3 MET 69 2HB MET 69 -5.980 -5.358 6.230 539 HG2 MET 69 1HG MET 69 -8.055 -6.663 6.416 540 HG3 MET 69 2HG MET 69 -7.113 -8.147 6.290 541 HE1 MET 69 3HE MET 69 -4.540 -7.636 8.000 542 HE2 MET 69 1HE MET 69 -5.541 -9.081 8.139 543 HE3 MET 69 2HE MET 69 -5.069 -8.193 9.587 544 H CYS 70 H CYS 70 -3.937 -6.823 3.457 545 HA CYS 70 HA CYS 70 -2.788 -4.265 3.559 546 HB2 CYS 70 1HB CYS 70 -1.933 -6.714 2.026 547 HB3 CYS 70 2HB CYS 70 -0.945 -5.273 2.229 548 HG CYS 70 HG CYS 70 -2.028 -7.292 4.783 549 H THR 71 H THR 71 -4.275 -5.969 0.785 550 HA THR 71 HA THR 71 -3.393 -4.029 -1.099 551 HB THR 71 HB THR 71 -4.004 -6.270 -1.872 552 HG1 THR 71 HG1 THR 71 -5.909 -5.242 -3.348 553 HG21 THR 71 3HG2 THR 71 -5.833 -6.756 -0.318 554 HG22 THR 71 1HG2 THR 71 -6.358 -6.983 -1.987 555 HG23 THR 71 2HG2 THR 71 -6.837 -5.536 -1.102 556 H ASP 72 H ASP 72 -6.278 -4.394 0.834 557 HA ASP 72 HA ASP 72 -7.779 -2.276 -0.290 558 HB2 ASP 72 1HB ASP 72 -8.672 -4.149 1.154 559 HB3 ASP 72 2HB ASP 72 -7.981 -3.311 2.539 560 H TRP 73 H TRP 73 -5.112 -2.328 1.682 561 HA TRP 73 HA TRP 73 -5.752 0.055 3.282 562 HB2 TRP 73 1HB TRP 73 -4.415 -1.794 4.337 563 HB3 TRP 73 2HB TRP 73 -3.118 -1.448 3.199 564 HD1 TRP 73 HD1 TRP 73 -4.809 -0.052 6.330 565 HE1 TRP 73 HE1 TRP 73 -3.310 1.782 7.332 566 HE3 TRP 73 HE3 TRP 73 -1.379 0.329 2.588 567 HZ2 TRP 73 HZ2 TRP 73 -0.977 3.196 6.635 568 HZ3 TRP 73 HZ3 TRP 73 0.467 1.940 2.828 569 HH2 TRP 73 HH2 TRP 73 0.658 3.347 4.810 570 H LEU 74 H LEU 74 -3.689 -1.060 0.811 571 HA LEU 74 HA LEU 74 -2.266 1.378 0.264 572 HB2 LEU 74 1HB LEU 74 -2.669 -1.117 -1.359 573 HB3 LEU 74 2HB LEU 74 -1.877 0.279 -2.055 574 HG LEU 74 HG LEU 74 -0.871 -1.136 0.439 575 HD11 LEU 74 1HD1 LEU 74 0.028 -1.401 -2.433 576 HD12 LEU 74 2HD1 LEU 74 -0.795 -2.640 -1.489 577 HD13 LEU 74 3HD1 LEU 74 0.823 -2.109 -1.028 578 HD21 LEU 74 3HD2 LEU 74 1.178 0.110 -0.040 579 HD22 LEU 74 1HD2 LEU 74 -0.183 1.197 0.246 580 HD23 LEU 74 2HD2 LEU 74 0.383 0.904 -1.398 581 H ASN 75 H ASN 75 -4.970 -0.171 -1.382 582 HA ASN 75 HA ASN 75 -5.592 1.888 -3.165 583 HB2 ASN 75 1HB ASN 75 -7.260 -0.307 -1.991 584 HB3 ASN 75 2HB ASN 75 -8.002 0.911 -3.022 585 HD21 ASN 75 2HD2 ASN 75 -5.937 -1.848 -2.881 586 HD22 ASN 75 1HD2 ASN 75 -5.734 -2.028 -4.589 587 H HIS 76 H HIS 76 -6.429 1.535 0.160 588 HA HIS 76 HA HIS 76 -8.531 3.302 0.440 589 HB2 HIS 76 1HB HIS 76 -8.237 2.104 2.339 590 HB3 HIS 76 2HB HIS 76 -6.495 2.065 2.178 591 HD1 HIS 76 HD1 HIS 76 -9.228 4.445 3.348 592 HD2 HIS 76 HD2 HIS 76 -5.182 3.641 3.934 593 HE1 HIS 76 HE1 HIS 76 -8.523 5.917 5.249 594 H MET 77 H MET 77 -5.057 4.069 0.405 595 HA MET 77 HA MET 77 -5.557 6.790 1.176 596 HB2 MET 77 1HB MET 77 -3.155 7.178 0.823 597 HB3 MET 77 2HB MET 77 -3.490 5.822 1.886 598 HG2 MET 77 1HG MET 77 -2.980 4.265 0.115 599 HG3 MET 77 2HG MET 77 -2.751 5.594 -1.020 600 HE1 MET 77 3HE MET 77 -1.423 3.878 2.254 601 HE2 MET 77 1HE MET 77 -1.652 5.554 2.753 602 HE3 MET 77 2HE MET 77 -0.028 4.885 2.637 603 H TYR 78 H TYR 78 -5.545 5.186 -1.871 604 HA TYR 78 HA TYR 78 -4.581 7.181 -3.576 605 HB2 TYR 78 1HB TYR 78 -6.629 5.027 -3.970 606 HB3 TYR 78 2HB TYR 78 -6.279 6.175 -5.250 607 HD1 TYR 78 HD1 TYR 78 -4.707 3.643 -3.054 608 HD2 TYR 78 HD2 TYR 78 -4.469 5.827 -6.688 609 HE1 TYR 78 HE1 TYR 78 -2.847 2.218 -3.781 610 HE2 TYR 78 HE2 TYR 78 -2.609 4.416 -7.424 611 HH TYR 78 HH TYR 78 -1.781 1.518 -5.834 612 H ASP 79 H ASP 79 -7.938 6.647 -2.530 613 HA ASP 79 HA ASP 79 -9.024 8.805 -3.984 614 HB2 ASP 79 1HB ASP 79 -10.015 7.350 -1.543 615 HB3 ASP 79 2HB ASP 79 -10.946 8.606 -2.349 616 H GLN 80 H GLN 80 -7.861 8.559 -0.690 617 HA GLN 80 HA GLN 80 -8.629 11.050 0.239 618 HB2 GLN 80 1HB GLN 80 -6.219 9.410 1.000 619 HB3 GLN 80 2HB GLN 80 -6.792 10.808 1.898 620 HG2 GLN 80 1HG GLN 80 -8.921 9.668 2.295 621 HG3 GLN 80 2HG GLN 80 -8.324 8.263 1.418 622 HE21 GLN 80 2HE2 GLN 80 -9.212 8.555 4.184 623 HE22 GLN 80 1HE2 GLN 80 -7.899 8.014 5.167 624 H LEU 81 H LEU 81 -5.907 10.237 -1.811 625 HA LEU 81 HA LEU 81 -4.772 12.911 -1.483 626 HB2 LEU 81 1HB LEU 81 -3.805 10.541 -3.085 627 HB3 LEU 81 2HB LEU 81 -2.963 12.072 -2.966 628 HG LEU 81 HG LEU 81 -3.512 10.195 -0.664 629 HD11 LEU 81 1HD1 LEU 81 -1.102 9.798 -0.707 630 HD12 LEU 81 2HD1 LEU 81 -0.962 10.807 -2.147 631 HD13 LEU 81 3HD1 LEU 81 -1.870 9.298 -2.214 632 HD21 LEU 81 3HD2 LEU 81 -3.456 12.507 0.077 633 HD22 LEU 81 1HD2 LEU 81 -1.946 12.774 -0.792 634 HD23 LEU 81 2HD2 LEU 81 -1.988 11.674 0.584 635 H LYS 82 H LYS 82 -7.174 11.683 -3.262 636 HA LYS 82 HA LYS 82 -6.479 12.909 -5.819 637 HB2 LYS 82 1HB LYS 82 -8.899 11.332 -4.961 638 HB3 LYS 82 2HB LYS 82 -8.758 12.085 -6.541 639 HG2 LYS 82 1HG LYS 82 -6.796 10.729 -7.035 640 HG3 LYS 82 2HG LYS 82 -6.883 10.003 -5.429 641 HD2 LYS 82 1HD LYS 82 -9.083 9.071 -5.972 642 HD3 LYS 82 2HD LYS 82 -9.001 9.807 -7.571 643 HE2 LYS 82 1HE LYS 82 -7.047 8.444 -8.105 644 HE3 LYS 82 2HE LYS 82 -7.092 7.732 -6.494 645 HZ1 LYS 82 3HZ LYS 82 -9.222 6.756 -6.991 646 HZ2 LYS 82 1HZ LYS 82 -8.127 6.308 -8.198 647 HZ3 LYS 82 2HZ LYS 82 -9.276 7.510 -8.496 648 H ASP 83 H ASP 83 -8.948 13.384 -3.308 649 HA ASP 83 HA ASP 83 -9.465 16.065 -4.392 650 HB2 ASP 83 1HB ASP 83 -11.184 14.536 -5.299 651 HB3 ASP 83 2HB ASP 83 -11.636 14.080 -3.665 652 H TRP 84 H TRP 84 -7.848 15.789 -2.040 653 HA TRP 84 HA TRP 84 -9.595 15.761 0.237 654 HB2 TRP 84 1HB TRP 84 -7.391 16.110 1.436 655 HB3 TRP 84 2HB TRP 84 -7.509 14.628 0.497 656 HD1 TRP 84 HD1 TRP 84 -6.256 14.783 -2.031 657 HE1 TRP 84 HE1 TRP 84 -4.024 15.899 -2.628 658 HE3 TRP 84 HE3 TRP 84 -5.802 17.904 1.985 659 HZ2 TRP 84 HZ2 TRP 84 -2.294 17.834 -1.547 660 HZ3 TRP 84 HZ3 TRP 84 -3.821 19.354 2.129 661 HH2 TRP 84 HH2 TRP 84 -2.104 19.313 0.397 662 H LYS 85 H LYS 85 -10.262 17.816 -1.459 663 HA LYS 85 HA LYS 85 -9.640 20.272 -1.560 664 HB2 LYS 85 1HB LYS 85 -11.876 21.070 -0.777 665 HB3 LYS 85 2HB LYS 85 -11.928 19.722 -1.901 666 HG2 LYS 85 1HG LYS 85 -12.323 18.182 -0.037 667 HG3 LYS 85 2HG LYS 85 -12.266 19.540 1.088 668 HD2 LYS 85 1HD LYS 85 -14.202 20.542 -0.024 669 HD3 LYS 85 2HD LYS 85 -14.259 19.189 -1.154 670 HE2 LYS 85 1HE LYS 85 -14.656 17.653 0.710 671 HE3 LYS 85 2HE LYS 85 -14.584 19.004 1.838 672 HZ1 LYS 85 3HZ LYS 85 -16.521 19.961 0.717 673 HZ2 LYS 85 1HZ LYS 85 -16.855 18.434 1.356 674 HZ3 LYS 85 2HZ LYS 85 -16.602 18.614 -0.302 Start of MODEL 10 1 HA MET 1 HA MET 1 18.704 -7.839 6.445 2 HB2 MET 1 1HB MET 1 16.581 -8.917 8.300 3 HB3 MET 1 2HB MET 1 18.098 -9.743 7.987 4 HG2 MET 1 1HG MET 1 17.826 -6.988 9.165 5 HG3 MET 1 2HG MET 1 18.114 -8.469 10.077 6 HE1 MET 1 3HE MET 1 21.678 -9.521 8.935 7 HE2 MET 1 1HE MET 1 20.119 -10.093 8.345 8 HE3 MET 1 2HE MET 1 20.362 -9.819 10.070 9 H GLY 2 H GLY 2 15.310 -8.671 5.838 10 HA2 GLY 2 1HA GLY 2 16.283 -10.473 3.731 11 HA3 GLY 2 2HA GLY 2 15.108 -11.068 4.887 12 H ARG 3 H ARG 3 14.134 -11.442 2.674 13 HA ARG 3 HA ARG 3 11.895 -9.751 2.381 14 HB2 ARG 3 1HB ARG 3 13.374 -8.279 1.152 15 HB3 ARG 3 2HB ARG 3 14.001 -9.621 0.206 16 HG2 ARG 3 1HG ARG 3 11.814 -9.913 -0.842 17 HG3 ARG 3 2HG ARG 3 11.177 -8.579 0.118 18 HD2 ARG 3 1HD ARG 3 11.726 -7.844 -2.135 19 HD3 ARG 3 2HD ARG 3 12.765 -7.055 -0.950 20 HE ARG 3 HE ARG 3 14.197 -9.232 -1.749 21 HH11 ARG 3 1HH2 ARG 3 12.674 -6.585 -3.467 22 HH12 ARG 3 2HH2 ARG 3 13.868 -6.540 -4.719 23 HH21 ARG 3 1HH1 ARG 3 15.803 -9.149 -3.389 24 HH22 ARG 3 2HH1 ARG 3 15.663 -7.991 -4.665 25 H LEU 4 H LEU 4 10.406 -11.292 2.111 26 HA LEU 4 HA LEU 4 11.127 -13.753 0.725 27 HB2 LEU 4 1HB LEU 4 9.333 -14.785 1.735 28 HB3 LEU 4 2HB LEU 4 9.773 -13.588 2.932 29 HG LEU 4 HG LEU 4 7.481 -13.314 0.973 30 HD11 LEU 4 1HD1 LEU 4 7.066 -15.097 2.563 31 HD12 LEU 4 2HD1 LEU 4 6.042 -13.704 2.909 32 HD13 LEU 4 3HD1 LEU 4 7.465 -14.019 3.901 33 HD21 LEU 4 3HD2 LEU 4 8.370 -11.148 1.679 34 HD22 LEU 4 1HD2 LEU 4 8.247 -11.640 3.368 35 HD23 LEU 4 2HD2 LEU 4 6.788 -11.440 2.400 36 H TYR 5 H TYR 5 10.057 -14.599 -1.073 37 HA TYR 5 HA TYR 5 8.133 -12.890 -2.447 38 HB2 TYR 5 1HB TYR 5 10.414 -12.285 -3.296 39 HB3 TYR 5 2HB TYR 5 10.613 -13.952 -3.822 40 HD1 TYR 5 HD1 TYR 5 8.531 -10.922 -4.307 41 HD2 TYR 5 HD2 TYR 5 9.789 -14.649 -5.928 42 HE1 TYR 5 HE1 TYR 5 7.466 -10.344 -6.443 43 HE2 TYR 5 HE2 TYR 5 8.723 -14.081 -8.071 44 HH TYR 5 HH TYR 5 7.572 -10.908 -8.755 45 H SER 6 H SER 6 6.543 -14.067 -3.386 46 HA SER 6 HA SER 6 6.922 -16.694 -4.410 47 HB2 SER 6 1HB SER 6 6.894 -17.097 -1.902 48 HB3 SER 6 2HB SER 6 5.236 -16.502 -1.892 49 HG SER 6 HG SER 6 4.985 -18.637 -2.122 50 H GLY 7 H GLY 7 4.211 -17.549 -4.063 51 HA2 GLY 7 1HA GLY 7 2.908 -15.810 -5.988 52 HA3 GLY 7 2HA GLY 7 2.319 -17.367 -5.417 53 H ASN 8 H ASN 8 0.223 -16.396 -5.221 54 HA ASN 8 HA ASN 8 -1.528 -15.636 -3.974 55 HB2 ASN 8 1HB ASN 8 0.557 -15.290 -1.800 56 HB3 ASN 8 2HB ASN 8 -1.167 -15.046 -1.557 57 HD21 ASN 8 2HD2 ASN 8 -2.536 -16.826 -1.540 58 HD22 ASN 8 1HD2 ASN 8 -1.939 -18.439 -1.357 59 H LEU 9 H LEU 9 1.105 -13.747 -4.748 60 HA LEU 9 HA LEU 9 0.161 -11.225 -3.804 61 HB2 LEU 9 1HB LEU 9 2.303 -11.874 -5.816 62 HB3 LEU 9 2HB LEU 9 2.038 -10.310 -5.073 63 HG LEU 9 HG LEU 9 2.909 -12.822 -3.641 64 HD11 LEU 9 1HD1 LEU 9 5.027 -11.656 -3.347 65 HD12 LEU 9 2HD1 LEU 9 4.420 -10.302 -4.299 66 HD13 LEU 9 3HD1 LEU 9 4.646 -11.879 -5.054 67 HD21 LEU 9 3HD2 LEU 9 1.539 -11.437 -2.192 68 HD22 LEU 9 1HD2 LEU 9 2.496 -10.016 -2.610 69 HD23 LEU 9 2HD2 LEU 9 3.231 -11.337 -1.704 70 H ALA 10 H ALA 10 -1.341 -12.966 -5.977 71 HA ALA 10 HA ALA 10 -1.287 -11.659 -8.426 72 HB1 ALA 10 3HB ALA 10 -3.391 -12.712 -8.919 73 HB2 ALA 10 1HB ALA 10 -3.707 -12.974 -7.204 74 HB3 ALA 10 2HB ALA 10 -2.387 -13.831 -7.995 75 H ALA 11 H ALA 11 -3.523 -10.995 -5.701 76 HA ALA 11 HA ALA 11 -4.581 -8.665 -7.068 77 HB1 ALA 11 3HB ALA 11 -6.016 -10.006 -5.593 78 HB2 ALA 11 1HB ALA 11 -5.916 -8.332 -5.046 79 HB3 ALA 11 2HB ALA 11 -4.992 -9.587 -4.219 80 H PHE 12 H PHE 12 -2.272 -9.406 -4.735 81 HA PHE 12 HA PHE 12 -1.732 -6.913 -3.544 82 HB2 PHE 12 1HB PHE 12 -0.739 -9.108 -2.817 83 HB3 PHE 12 2HB PHE 12 0.372 -8.999 -4.174 84 HD1 PHE 12 HD2 PHE 12 2.157 -7.301 -4.181 85 HD2 PHE 12 HD1 PHE 12 -0.445 -7.793 -0.847 86 HE1 PHE 12 HE2 PHE 12 3.712 -6.009 -2.778 87 HE2 PHE 12 HE1 PHE 12 1.104 -6.501 0.558 88 HZ PHE 12 HZ PHE 12 3.185 -5.607 -0.405 89 H LYS 13 H LYS 13 -0.172 -8.351 -6.456 90 HA LYS 13 HA LYS 13 1.439 -6.238 -7.174 91 HB2 LYS 13 1HB LYS 13 0.036 -8.297 -8.874 92 HB3 LYS 13 2HB LYS 13 1.293 -7.224 -9.473 93 HG2 LYS 13 1HG LYS 13 2.892 -8.178 -7.923 94 HG3 LYS 13 2HG LYS 13 1.635 -9.205 -7.231 95 HD2 LYS 13 1HD LYS 13 1.358 -10.307 -9.410 96 HD3 LYS 13 2HD LYS 13 2.637 -9.290 -10.077 97 HE2 LYS 13 1HE LYS 13 4.243 -10.241 -8.528 98 HE3 LYS 13 2HE LYS 13 2.976 -11.198 -7.765 99 HZ1 LYS 13 3HZ LYS 13 4.259 -12.524 -9.306 100 HZ2 LYS 13 1HZ LYS 13 3.895 -11.468 -10.577 101 HZ3 LYS 13 2HZ LYS 13 2.669 -12.373 -9.851 102 H ALA 14 H ALA 14 -1.999 -6.680 -7.818 103 HA ALA 14 HA ALA 14 -2.307 -4.752 -9.830 104 HB1 ALA 14 3HB ALA 14 -4.052 -6.376 -9.245 105 HB2 ALA 14 1HB ALA 14 -4.671 -4.725 -9.229 106 HB3 ALA 14 2HB ALA 14 -4.307 -5.545 -7.711 107 H ALA 15 H ALA 15 -2.351 -4.447 -6.317 108 HA ALA 15 HA ALA 15 -2.982 -1.675 -6.275 109 HB1 ALA 15 3HB ALA 15 -2.326 -1.761 -3.924 110 HB2 ALA 15 1HB ALA 15 -1.624 -3.360 -4.171 111 HB3 ALA 15 2HB ALA 15 -3.363 -3.124 -4.342 112 H THR 16 H THR 16 -0.023 -3.473 -6.749 113 HA THR 16 HA THR 16 1.812 -1.499 -5.898 114 HB THR 16 HB THR 16 2.268 -3.729 -7.893 115 HG1 THR 16 HG1 THR 16 1.484 -3.926 -5.369 116 HG21 THR 16 3HG2 THR 16 4.572 -3.646 -7.055 117 HG22 THR 16 1HG2 THR 16 4.138 -2.322 -5.974 118 HG23 THR 16 2HG2 THR 16 4.091 -2.085 -7.719 119 H ASN 17 H ASN 17 0.404 -2.348 -9.041 120 HA ASN 17 HA ASN 17 2.009 -0.711 -10.670 121 HB2 ASN 17 1HB ASN 17 0.541 -2.503 -11.543 122 HB3 ASN 17 2HB ASN 17 -0.870 -1.536 -11.135 123 HD21 ASN 17 2HD2 ASN 17 -1.587 -1.436 -13.247 124 HD22 ASN 17 1HD2 ASN 17 -0.781 -0.509 -14.467 125 H LYS 18 H LYS 18 -0.727 -0.002 -8.707 126 HA LYS 18 HA LYS 18 -1.512 2.457 -9.810 127 HB2 LYS 18 1HB LYS 18 -1.853 1.282 -7.067 128 HB3 LYS 18 2HB LYS 18 -2.522 2.841 -7.522 129 HG2 LYS 18 1HG LYS 18 -3.841 1.767 -9.273 130 HG3 LYS 18 2HG LYS 18 -3.155 0.203 -8.825 131 HD2 LYS 18 1HD LYS 18 -4.159 0.335 -6.638 132 HD3 LYS 18 2HD LYS 18 -4.730 1.974 -6.958 133 HE2 LYS 18 1HE LYS 18 -6.535 0.370 -7.201 134 HE3 LYS 18 2HE LYS 18 -6.158 1.122 -8.748 135 HZ1 LYS 18 3HZ LYS 18 -5.289 -1.573 -7.863 136 HZ2 LYS 18 1HZ LYS 18 -4.881 -0.853 -9.340 137 HZ3 LYS 18 2HZ LYS 18 -6.491 -1.239 -9.000 138 H LEU 19 H LEU 19 1.043 1.618 -7.572 139 HA LEU 19 HA LEU 19 1.406 3.977 -6.155 140 HB2 LEU 19 1HB LEU 19 3.508 2.060 -7.180 141 HB3 LEU 19 2HB LEU 19 3.787 3.271 -5.950 142 HG LEU 19 HG LEU 19 1.874 0.950 -5.654 143 HD11 LEU 19 1HD1 LEU 19 3.574 -0.040 -4.221 144 HD12 LEU 19 2HD1 LEU 19 4.666 1.300 -4.572 145 HD13 LEU 19 3HD1 LEU 19 4.190 0.190 -5.858 146 HD21 LEU 19 3HD2 LEU 19 1.326 2.883 -4.257 147 HD22 LEU 19 1HD2 LEU 19 2.973 2.896 -3.626 148 HD23 LEU 19 2HD2 LEU 19 1.909 1.530 -3.290 149 H PHE 20 H PHE 20 2.894 3.057 -9.259 150 HA PHE 20 HA PHE 20 4.422 5.424 -9.547 151 HB2 PHE 20 1HB PHE 20 5.050 3.403 -10.737 152 HB3 PHE 20 2HB PHE 20 3.523 3.401 -11.612 153 HD1 PHE 20 HD1 PHE 20 6.566 5.485 -11.071 154 HD2 PHE 20 HD2 PHE 20 3.415 4.372 -13.709 155 HE1 PHE 20 HE1 PHE 20 7.605 6.808 -12.869 156 HE2 PHE 20 HE2 PHE 20 4.450 5.689 -15.507 157 HZ PHE 20 HZ PHE 20 6.548 6.910 -15.090 158 H GLN 21 H GLN 21 1.162 4.614 -10.320 159 HA GLN 21 HA GLN 21 0.664 6.491 -12.347 160 HB2 GLN 21 1HB GLN 21 -1.222 5.190 -10.391 161 HB3 GLN 21 2HB GLN 21 -1.724 6.123 -11.795 162 HG2 GLN 21 1HG GLN 21 -0.628 4.533 -13.262 163 HG3 GLN 21 2HG GLN 21 -0.081 3.606 -11.866 164 HE21 GLN 21 2HE2 GLN 21 -1.145 1.771 -12.403 165 HE22 GLN 21 1HE2 GLN 21 -2.870 1.616 -12.380 166 H LEU 22 H LEU 22 0.598 6.860 -8.779 167 HA LEU 22 HA LEU 22 -0.375 9.569 -9.256 168 HB2 LEU 22 1HB LEU 22 -1.823 8.115 -7.864 169 HB3 LEU 22 2HB LEU 22 -0.508 7.931 -6.723 170 HG LEU 22 HG LEU 22 -0.611 10.337 -6.214 171 HD11 LEU 22 1HD1 LEU 22 -1.421 11.161 -8.355 172 HD12 LEU 22 2HD1 LEU 22 -2.492 11.672 -7.052 173 HD13 LEU 22 3HD1 LEU 22 -2.961 10.339 -8.105 174 HD21 LEU 22 3HD2 LEU 22 -2.760 10.303 -5.045 175 HD22 LEU 22 1HD2 LEU 22 -1.907 8.769 -4.877 176 HD23 LEU 22 2HD2 LEU 22 -3.257 8.909 -6.003 177 H ASP 23 H ASP 23 2.402 8.012 -8.953 178 HA ASP 23 HA ASP 23 4.550 8.700 -8.604 179 HB2 ASP 23 1HB ASP 23 3.266 11.350 -7.907 180 HB3 ASP 23 2HB ASP 23 5.003 11.097 -7.968 181 H LEU 24 H LEU 24 3.296 7.239 -6.653 182 HA LEU 24 HA LEU 24 4.818 8.127 -4.319 183 HB2 LEU 24 1HB LEU 24 2.981 7.326 -2.804 184 HB3 LEU 24 2HB LEU 24 2.628 8.790 -3.690 185 HG LEU 24 HG LEU 24 1.355 7.262 -5.333 186 HD11 LEU 24 1HD1 LEU 24 2.223 5.139 -4.506 187 HD12 LEU 24 2HD1 LEU 24 0.465 5.218 -4.375 188 HD13 LEU 24 3HD1 LEU 24 1.469 5.441 -2.941 189 HD21 LEU 24 3HD2 LEU 24 0.269 8.848 -3.868 190 HD22 LEU 24 1HD2 LEU 24 0.362 7.707 -2.526 191 HD23 LEU 24 2HD2 LEU 24 -0.648 7.342 -3.924 192 H ALA 25 H ALA 25 5.111 6.243 -2.714 193 HA ALA 25 HA ALA 25 4.892 3.620 -3.919 194 HB1 ALA 25 3HB ALA 25 7.616 4.793 -3.363 195 HB2 ALA 25 1HB ALA 25 6.932 4.486 -4.959 196 HB3 ALA 25 2HB ALA 25 7.282 3.140 -3.874 197 H VAL 26 H VAL 26 5.209 1.886 -2.428 198 HA VAL 26 HA VAL 26 5.624 2.711 0.345 199 HB VAL 26 HB VAL 26 3.310 2.025 0.079 200 HG11 VAL 26 1HG1 VAL 26 3.497 0.832 -2.029 201 HG12 VAL 26 2HG1 VAL 26 2.667 -0.156 -0.827 202 HG13 VAL 26 3HG1 VAL 26 4.354 -0.483 -1.226 203 HG21 VAL 26 3HG2 VAL 26 4.411 1.220 2.113 204 HG22 VAL 26 1HG2 VAL 26 4.897 -0.251 1.274 205 HG23 VAL 26 2HG2 VAL 26 3.191 0.070 1.568 206 H ILE 27 H ILE 27 7.068 1.527 1.509 207 HA ILE 27 HA ILE 27 8.350 -0.708 0.106 208 HB ILE 27 HB ILE 27 10.417 -0.208 1.361 209 HG12 ILE 27 1HG1 ILE 27 8.993 2.320 2.235 210 HG13 ILE 27 2HG1 ILE 27 9.345 0.946 3.280 211 HG21 ILE 27 1HG2 ILE 27 11.059 1.799 0.101 212 HG22 ILE 27 2HG2 ILE 27 9.363 2.097 -0.270 213 HG23 ILE 27 3HG2 ILE 27 10.159 0.652 -0.891 214 HD11 ILE 27 3HD1 ILE 27 11.383 2.682 1.904 215 HD12 ILE 27 1HD1 ILE 27 11.737 1.311 2.953 216 HD13 ILE 27 2HD1 ILE 27 10.948 2.743 3.611 217 H TYR 28 H TYR 28 8.677 -2.561 1.182 218 HA TYR 28 HA TYR 28 7.552 -2.743 3.896 219 HB2 TYR 28 1HB TYR 28 6.824 -5.024 3.324 220 HB3 TYR 28 2HB TYR 28 6.112 -3.840 2.235 221 HD1 TYR 28 HD2 TYR 28 6.943 -3.654 -0.104 222 HD2 TYR 28 HD1 TYR 28 8.308 -6.728 2.508 223 HE1 TYR 28 HE2 TYR 28 7.813 -4.902 -2.036 224 HE2 TYR 28 HE1 TYR 28 9.183 -7.981 0.582 225 HH TYR 28 HH TYR 28 9.556 -6.610 -2.479 226 H ASP 29 H ASP 29 8.483 -4.373 5.258 227 HA ASP 29 HA ASP 29 11.078 -5.410 4.424 228 HB2 ASP 29 1HB ASP 29 11.314 -3.155 5.631 229 HB3 ASP 29 2HB ASP 29 10.743 -3.992 7.070 230 H ASP 30 H ASP 30 11.520 -7.394 5.291 231 HA ASP 30 HA ASP 30 9.940 -8.430 7.488 232 HB2 ASP 30 1HB ASP 30 8.997 -10.298 6.314 233 HB3 ASP 30 2HB ASP 30 8.578 -8.862 5.390 234 H TRP 31 H TRP 31 11.218 -9.809 8.749 235 HA TRP 31 HA TRP 31 12.450 -11.599 9.131 236 HB2 TRP 31 1HB TRP 31 12.574 -12.505 6.888 237 HB3 TRP 31 2HB TRP 31 13.696 -11.240 6.396 238 HD1 TRP 31 HD1 TRP 31 16.153 -11.947 6.440 239 HE1 TRP 31 HE1 TRP 31 17.546 -13.730 7.658 240 HE3 TRP 31 HE3 TRP 31 12.501 -13.954 9.413 241 HZ2 TRP 31 HZ2 TRP 31 17.160 -15.722 9.618 242 HZ3 TRP 31 HZ3 TRP 31 13.102 -15.791 10.935 243 HH2 TRP 31 HH2 TRP 31 15.383 -16.657 11.034 244 H TYR 32 H TYR 32 13.522 -11.041 10.733 245 HA TYR 32 HA TYR 32 15.955 -9.490 10.502 246 HB2 TYR 32 1HB TYR 32 15.129 -7.998 12.427 247 HB3 TYR 32 2HB TYR 32 14.474 -7.663 10.830 248 HD1 TYR 32 HD1 TYR 32 13.706 -9.137 14.138 249 HD2 TYR 32 HD2 TYR 32 12.142 -7.915 10.373 250 HE1 TYR 32 HE1 TYR 32 11.419 -9.360 15.018 251 HE2 TYR 32 HE2 TYR 32 9.855 -8.136 11.243 252 HH TYR 32 HH TYR 32 9.195 -8.575 14.582 253 H ASP 33 H ASP 33 16.335 -9.063 13.248 254 HA ASP 33 HA ASP 33 17.213 -11.582 14.120 255 HB2 ASP 33 1HB ASP 33 16.796 -8.978 15.576 256 HB3 ASP 33 2HB ASP 33 17.416 -10.412 16.385 257 H ALA 34 H ALA 34 16.131 -13.203 14.863 258 HA ALA 34 HA ALA 34 14.128 -13.246 16.769 259 HB1 ALA 34 3HB ALA 34 12.716 -12.077 15.129 260 HB2 ALA 34 1HB ALA 34 12.092 -13.690 15.481 261 HB3 ALA 34 2HB ALA 34 12.966 -13.389 13.978 262 H TYR 35 H TYR 35 15.695 -14.910 17.169 263 HA TYR 35 HA TYR 35 16.114 -17.140 15.563 264 HB2 TYR 35 1HB TYR 35 17.485 -16.570 17.542 265 HB3 TYR 35 2HB TYR 35 16.150 -17.041 18.587 266 HD1 TYR 35 HD1 TYR 35 18.471 -18.353 16.001 267 HD2 TYR 35 HD2 TYR 35 15.945 -19.271 19.289 268 HE1 TYR 35 HE1 TYR 35 19.330 -20.653 16.006 269 HE2 TYR 35 HE2 TYR 35 16.793 -21.580 19.308 270 HH TYR 35 HH TYR 35 17.866 -23.164 17.787 271 H THR 36 H THR 36 13.564 -16.514 17.948 272 HA THR 36 HA THR 36 12.440 -19.071 17.962 273 HB THR 36 HB THR 36 10.411 -17.830 18.849 274 HG1 THR 36 HG1 THR 36 11.028 -15.581 19.448 275 HG21 THR 36 3HG2 THR 36 13.088 -17.296 20.152 276 HG22 THR 36 1HG2 THR 36 12.140 -18.773 20.319 277 HG23 THR 36 2HG2 THR 36 11.522 -17.251 20.962 278 H ARG 37 H ARG 37 12.453 -16.802 15.452 279 HA ARG 37 HA ARG 37 11.472 -16.767 13.390 280 HB2 ARG 37 1HB ARG 37 10.162 -19.329 14.330 281 HB3 ARG 37 2HB ARG 37 10.011 -18.686 12.704 282 HG2 ARG 37 1HG ARG 37 12.384 -18.974 12.334 283 HG3 ARG 37 2HG ARG 37 12.601 -19.519 14.000 284 HD2 ARG 37 1HD ARG 37 10.851 -20.885 11.952 285 HD3 ARG 37 2HD ARG 37 12.493 -21.384 12.361 286 HE ARG 37 HE ARG 37 11.447 -21.519 14.746 287 HH11 ARG 37 1HH2 ARG 37 9.899 -22.472 11.731 288 HH12 ARG 37 2HH2 ARG 37 8.929 -23.695 12.465 289 HH21 ARG 37 1HH1 ARG 37 10.126 -23.126 15.723 290 HH22 ARG 37 2HH1 ARG 37 9.048 -24.061 14.754 291 H LYS 38 H LYS 38 9.058 -17.069 12.400 292 HA LYS 38 HA LYS 38 6.914 -16.362 12.284 293 HB2 LYS 38 1HB LYS 38 6.922 -16.416 15.315 294 HB3 LYS 38 2HB LYS 38 5.501 -16.342 14.285 295 HG2 LYS 38 1HG LYS 38 7.449 -18.642 14.424 296 HG3 LYS 38 2HG LYS 38 5.869 -18.583 15.201 297 HD2 LYS 38 1HD LYS 38 6.288 -18.355 12.218 298 HD3 LYS 38 2HD LYS 38 5.944 -19.871 13.049 299 HE2 LYS 38 1HE LYS 38 3.845 -18.857 13.910 300 HE3 LYS 38 2HE LYS 38 4.179 -17.426 12.935 301 HZ1 LYS 38 3HZ LYS 38 4.074 -18.802 10.943 302 HZ2 LYS 38 1HZ LYS 38 2.642 -18.944 11.828 303 HZ3 LYS 38 2HZ LYS 38 3.791 -20.176 11.875 304 H ASP 39 H ASP 39 8.690 -14.480 11.823 305 HA ASP 39 HA ASP 39 8.349 -12.167 13.495 306 HB2 ASP 39 1HB ASP 39 9.705 -11.022 11.728 307 HB3 ASP 39 2HB ASP 39 10.479 -12.449 12.407 308 H CYS 40 H CYS 40 7.902 -10.010 12.072 309 HA CYS 40 HA CYS 40 5.243 -10.509 10.919 310 HB2 CYS 40 1HB CYS 40 4.613 -8.242 11.787 311 HB3 CYS 40 2HB CYS 40 4.968 -9.434 13.026 312 HG CYS 40 HG CYS 40 7.750 -8.309 13.086 313 H ILE 41 H ILE 41 4.830 -7.767 10.197 314 HA ILE 41 HA ILE 41 6.668 -7.310 7.996 315 HB ILE 41 HB ILE 41 3.733 -7.894 7.458 316 HG12 ILE 41 1HG1 ILE 41 6.228 -9.251 6.394 317 HG13 ILE 41 2HG1 ILE 41 5.216 -9.884 7.686 318 HG21 ILE 41 1HG2 ILE 41 4.223 -7.391 5.102 319 HG22 ILE 41 2HG2 ILE 41 5.855 -6.899 5.549 320 HG23 ILE 41 3HG2 ILE 41 4.468 -5.981 6.132 321 HD11 ILE 41 3HD1 ILE 41 4.736 -10.981 5.580 322 HD12 ILE 41 1HD1 ILE 41 4.367 -9.426 4.836 323 HD13 ILE 41 2HD1 ILE 41 3.341 -10.051 6.128 324 H ARG 42 H ARG 42 6.831 -5.169 7.494 325 HA ARG 42 HA ARG 42 4.868 -3.352 8.749 326 HB2 ARG 42 1HB ARG 42 7.008 -3.445 9.977 327 HB3 ARG 42 2HB ARG 42 7.854 -2.952 8.522 328 HG2 ARG 42 1HG ARG 42 6.610 -0.823 8.562 329 HG3 ARG 42 2HG ARG 42 5.855 -1.324 10.078 330 HD2 ARG 42 1HD ARG 42 8.819 -0.993 9.604 331 HD3 ARG 42 2HD ARG 42 7.783 0.148 10.459 332 HE ARG 42 HE ARG 42 7.477 -2.298 11.724 333 HH11 ARG 42 1HH2 ARG 42 10.051 0.028 11.180 334 HH12 ARG 42 2HH2 ARG 42 10.941 -0.439 12.587 335 HH21 ARG 42 1HH1 ARG 42 8.673 -2.921 13.583 336 HH22 ARG 42 2HH1 ARG 42 10.160 -2.116 13.952 337 H LEU 43 H LEU 43 4.093 -1.706 7.516 338 HA LEU 43 HA LEU 43 5.163 -1.409 4.777 339 HB2 LEU 43 1HB LEU 43 2.419 -1.046 5.941 340 HB3 LEU 43 2HB LEU 43 2.866 -0.168 4.498 341 HG LEU 43 HG LEU 43 3.277 -2.334 3.346 342 HD11 LEU 43 1HD1 LEU 43 3.764 -3.700 5.317 343 HD12 LEU 43 2HD1 LEU 43 2.478 -4.395 4.330 344 HD13 LEU 43 3HD1 LEU 43 2.081 -3.548 5.826 345 HD21 LEU 43 3HD2 LEU 43 0.921 -2.931 3.102 346 HD22 LEU 43 1HD2 LEU 43 1.154 -1.183 3.107 347 HD23 LEU 43 2HD2 LEU 43 0.536 -1.994 4.545 348 H ARG 44 H ARG 44 6.248 0.406 4.355 349 HA ARG 44 HA ARG 44 5.625 2.803 5.960 350 HB2 ARG 44 1HB ARG 44 7.834 1.850 6.470 351 HB3 ARG 44 2HB ARG 44 8.282 1.990 4.778 352 HG2 ARG 44 1HG ARG 44 8.101 4.421 4.928 353 HG3 ARG 44 2HG ARG 44 7.644 4.278 6.627 354 HD2 ARG 44 1HD ARG 44 9.803 3.139 7.062 355 HD3 ARG 44 2HD ARG 44 10.257 3.430 5.386 356 HE ARG 44 HE ARG 44 10.052 5.403 7.525 357 HH11 ARG 44 1HH2 ARG 44 10.673 4.756 4.131 358 HH12 ARG 44 2HH2 ARG 44 11.458 6.273 3.843 359 HH21 ARG 44 1HH1 ARG 44 11.101 7.399 7.160 360 HH22 ARG 44 2HH1 ARG 44 11.722 7.769 5.585 361 H ILE 45 H ILE 45 4.806 4.455 4.858 362 HA ILE 45 HA ILE 45 5.051 4.553 1.935 363 HB ILE 45 HB ILE 45 3.393 6.303 3.779 364 HG12 ILE 45 1HG1 ILE 45 2.705 3.944 3.972 365 HG13 ILE 45 2HG1 ILE 45 1.467 4.918 3.192 366 HG21 ILE 45 1HG2 ILE 45 2.141 6.868 1.752 367 HG22 ILE 45 2HG2 ILE 45 3.204 5.832 0.802 368 HG23 ILE 45 3HG2 ILE 45 3.848 7.277 1.579 369 HD11 ILE 45 3HD1 ILE 45 1.709 2.760 2.114 370 HD12 ILE 45 1HD1 ILE 45 3.413 3.095 1.811 371 HD13 ILE 45 2HD1 ILE 45 2.171 4.064 1.019 372 H GLU 46 H GLU 46 6.314 6.242 0.885 373 HA GLU 46 HA GLU 46 7.405 8.245 2.669 374 HB2 GLU 46 1HB GLU 46 9.015 6.367 2.425 375 HB3 GLU 46 2HB GLU 46 8.935 6.552 0.681 376 HG2 GLU 46 1HG GLU 46 9.905 8.784 0.874 377 HG3 GLU 46 2HG GLU 46 9.977 8.596 2.626 378 H ASP 47 H ASP 47 7.812 10.195 1.605 379 HA ASP 47 HA ASP 47 6.392 10.564 -0.895 380 HB2 ASP 47 1HB ASP 47 6.079 12.204 0.896 381 HB3 ASP 47 2HB ASP 47 7.807 12.537 0.912 382 H ARG 48 H ARG 48 7.491 11.922 -2.679 383 HA ARG 48 HA ARG 48 9.992 10.614 -3.233 384 HB2 ARG 48 1HB ARG 48 9.621 11.815 -5.500 385 HB3 ARG 48 2HB ARG 48 8.581 10.467 -5.072 386 HG2 ARG 48 1HG ARG 48 7.199 12.142 -6.026 387 HG3 ARG 48 2HG ARG 48 6.874 12.147 -4.298 388 HD2 ARG 48 1HD ARG 48 8.501 14.058 -4.106 389 HD3 ARG 48 2HD ARG 48 8.542 14.105 -5.869 390 HE ARG 48 HE ARG 48 6.045 14.462 -4.338 391 HH11 ARG 48 1HH2 ARG 48 8.257 15.503 -6.852 392 HH12 ARG 48 2HH2 ARG 48 7.231 16.774 -7.405 393 HH21 ARG 48 1HH1 ARG 48 4.687 16.171 -5.059 394 HH22 ARG 48 2HH1 ARG 48 5.198 17.164 -6.381 395 H SER 49 H SER 49 9.393 13.222 -1.465 396 HA SER 49 HA SER 49 11.647 14.734 -2.573 397 HB2 SER 49 1HB SER 49 9.398 15.908 -2.613 398 HB3 SER 49 2HB SER 49 9.395 15.820 -0.854 399 HG SER 49 HG SER 49 11.310 17.066 -0.862 400 H GLY 50 H GLY 50 11.430 12.426 -0.684 401 HA2 GLY 50 1HA GLY 50 12.871 11.797 1.074 402 HA3 GLY 50 2HA GLY 50 13.147 13.496 1.418 403 H ASN 51 H ASN 51 10.394 14.233 1.657 404 HA ASN 51 HA ASN 51 9.821 13.900 4.298 405 HB2 ASN 51 1HB ASN 51 7.774 14.223 2.091 406 HB3 ASN 51 2HB ASN 51 7.520 14.593 3.790 407 HD21 ASN 51 2HD2 ASN 51 8.390 16.471 4.649 408 HD22 ASN 51 1HD2 ASN 51 9.067 17.715 3.659 409 H LEU 52 H LEU 52 8.282 12.750 5.443 410 HA LEU 52 HA LEU 52 7.781 10.030 4.397 411 HB2 LEU 52 1HB LEU 52 7.675 9.185 6.693 412 HB3 LEU 52 2HB LEU 52 9.222 9.917 6.339 413 HG LEU 52 HG LEU 52 7.128 11.518 7.767 414 HD11 LEU 52 1HD1 LEU 52 8.007 10.682 9.896 415 HD12 LEU 52 2HD1 LEU 52 9.001 9.514 9.026 416 HD13 LEU 52 3HD1 LEU 52 7.243 9.393 8.967 417 HD21 LEU 52 3HD2 LEU 52 9.187 12.605 6.989 418 HD22 LEU 52 1HD2 LEU 52 10.141 11.437 7.902 419 HD23 LEU 52 2HD2 LEU 52 9.089 12.569 8.749 420 H ILE 53 H ILE 53 5.772 9.141 4.447 421 HA ILE 53 HA ILE 53 3.655 11.122 4.809 422 HB ILE 53 HB ILE 53 3.586 8.465 3.375 423 HG12 ILE 53 1HG1 ILE 53 4.946 10.158 2.225 424 HG13 ILE 53 2HG1 ILE 53 3.475 9.817 1.326 425 HG21 ILE 53 1HG2 ILE 53 1.394 8.997 4.286 426 HG22 ILE 53 2HG2 ILE 53 1.389 9.175 2.532 427 HG23 ILE 53 3HG2 ILE 53 1.462 10.604 3.562 428 HD11 ILE 53 3HD1 ILE 53 2.475 11.876 2.245 429 HD12 ILE 53 1HD1 ILE 53 3.932 12.183 1.300 430 HD13 ILE 53 2HD1 ILE 53 4.000 12.224 3.061 431 H ASP 54 H ASP 54 4.047 7.608 5.485 432 HA ASP 54 HA ASP 54 2.882 7.859 8.070 433 HB2 ASP 54 1HB ASP 54 0.867 8.100 6.520 434 HB3 ASP 54 2HB ASP 54 1.144 6.430 6.041 435 H THR 55 H THR 55 2.370 5.579 8.952 436 HA THR 55 HA THR 55 3.949 3.478 7.721 437 HB THR 55 HB THR 55 5.022 3.052 10.064 438 HG1 THR 55 HG1 THR 55 3.750 4.914 10.955 439 HG21 THR 55 3HG2 THR 55 5.976 5.302 8.290 440 HG22 THR 55 1HG2 THR 55 6.339 3.587 8.100 441 HG23 THR 55 2HG2 THR 55 6.964 4.472 9.494 442 H SER 56 H SER 56 3.223 1.431 8.264 443 HA SER 56 HA SER 56 1.325 1.191 10.465 444 HB2 SER 56 1HB SER 56 -0.047 1.696 8.468 445 HB3 SER 56 2HB SER 56 0.678 0.329 7.629 446 HG SER 56 HG SER 56 -1.051 0.310 9.869 447 H THR 57 H THR 57 1.463 -0.719 11.503 448 HA THR 57 HA THR 57 3.082 -2.834 10.268 449 HB THR 57 HB THR 57 2.886 -2.105 13.210 450 HG1 THR 57 HG1 THR 57 4.591 -0.915 12.826 451 HG21 THR 57 3HG2 THR 57 4.640 -3.798 13.534 452 HG22 THR 57 1HG2 THR 57 4.560 -4.213 11.822 453 HG23 THR 57 2HG2 THR 57 3.176 -4.522 12.872 454 H PHE 58 H PHE 58 2.123 -4.771 10.100 455 HA PHE 58 HA PHE 58 -0.499 -5.117 11.399 456 HB2 PHE 58 1HB PHE 58 0.545 -6.250 8.795 457 HB3 PHE 58 2HB PHE 58 -0.987 -6.704 9.529 458 HD1 PHE 58 HD2 PHE 58 -2.847 -5.129 9.597 459 HD2 PHE 58 HD1 PHE 58 0.823 -4.146 7.672 460 HE1 PHE 58 HE2 PHE 58 -3.960 -3.268 8.434 461 HE2 PHE 58 HE1 PHE 58 -0.288 -2.285 6.505 462 HZ PHE 58 HZ PHE 58 -2.681 -1.845 6.884 463 H TYR 59 H TYR 59 -0.763 -6.807 12.747 464 HA TYR 59 HA TYR 59 1.039 -9.064 12.486 465 HB2 TYR 59 1HB TYR 59 1.489 -9.092 14.955 466 HB3 TYR 59 2HB TYR 59 2.227 -7.745 14.102 467 HD1 TYR 59 HD2 TYR 59 1.174 -5.453 14.315 468 HD2 TYR 59 HD1 TYR 59 -0.026 -8.733 16.752 469 HE1 TYR 59 HE2 TYR 59 0.153 -3.887 15.914 470 HE2 TYR 59 HE1 TYR 59 -1.047 -7.173 18.354 471 HH TYR 59 HH TYR 59 -1.646 -3.937 17.641 472 H HIS 60 H HIS 60 -0.207 -10.659 12.161 473 HA HIS 60 HA HIS 60 -2.016 -11.656 14.152 474 HB2 HIS 60 1HB HIS 60 -3.054 -10.848 11.407 475 HB3 HIS 60 2HB HIS 60 -3.833 -12.090 12.370 476 HD1 HIS 60 HD1 HIS 60 -3.919 -10.710 15.114 477 HD2 HIS 60 HD2 HIS 60 -4.832 -8.828 11.525 478 HE1 HIS 60 HE1 HIS 60 -5.374 -8.764 15.736 479 H HIS 61 H HIS 61 -2.062 -13.964 13.918 480 HA HIS 61 HA HIS 61 -0.216 -14.789 11.818 481 HB2 HIS 61 1HB HIS 61 -0.174 -17.022 13.029 482 HB3 HIS 61 2HB HIS 61 0.497 -15.655 13.901 483 HD1 HIS 61 HD1 HIS 61 -2.341 -18.102 13.965 484 HD2 HIS 61 HD2 HIS 61 -0.888 -14.941 16.242 485 HE1 HIS 61 HE1 HIS 61 -3.565 -18.234 16.152 486 H ASP 62 H ASP 62 -1.836 -14.367 10.229 487 HA ASP 62 HA ASP 62 -2.945 -16.921 9.467 488 HB2 ASP 62 1HB ASP 62 -4.876 -15.616 10.432 489 HB3 ASP 62 2HB ASP 62 -4.643 -14.449 9.129 490 H GLU 63 H GLU 63 -2.103 -17.369 7.610 491 HA GLU 63 HA GLU 63 -0.494 -15.645 6.156 492 HB2 GLU 63 1HB GLU 63 -0.340 -18.045 6.093 493 HB3 GLU 63 2HB GLU 63 -1.879 -18.140 5.257 494 HG2 GLU 63 1HG GLU 63 -0.900 -16.965 3.345 495 HG3 GLU 63 2HG GLU 63 0.650 -16.909 4.189 496 H ASP 64 H ASP 64 -3.848 -16.638 5.345 497 HA ASP 64 HA ASP 64 -3.890 -15.146 2.921 498 HB2 ASP 64 1HB ASP 64 -5.388 -17.081 3.401 499 HB3 ASP 64 2HB ASP 64 -6.280 -16.056 4.522 500 H VAL 65 H VAL 65 -5.323 -14.527 6.089 501 HA VAL 65 HA VAL 65 -6.490 -12.063 5.488 502 HB VAL 65 HB VAL 65 -5.463 -13.039 8.159 503 HG11 VAL 65 1HG1 VAL 65 -7.278 -10.705 7.581 504 HG12 VAL 65 2HG1 VAL 65 -5.623 -10.604 8.174 505 HG13 VAL 65 3HG1 VAL 65 -6.875 -11.330 9.179 506 HG21 VAL 65 3HG2 VAL 65 -8.226 -12.972 6.966 507 HG22 VAL 65 1HG2 VAL 65 -7.829 -13.479 8.608 508 HG23 VAL 65 2HG2 VAL 65 -7.232 -14.407 7.230 509 H LEU 66 H LEU 66 -3.199 -12.732 6.635 510 HA LEU 66 HA LEU 66 -2.467 -10.133 7.342 511 HB2 LEU 66 1HB LEU 66 -1.227 -12.521 7.475 512 HB3 LEU 66 2HB LEU 66 -0.481 -11.920 6.021 513 HG LEU 66 HG LEU 66 0.919 -11.512 8.021 514 HD11 LEU 66 1HD1 LEU 66 1.167 -10.068 6.081 515 HD12 LEU 66 2HD1 LEU 66 1.444 -9.183 7.581 516 HD13 LEU 66 3HD1 LEU 66 -0.079 -8.992 6.713 517 HD21 LEU 66 3HD2 LEU 66 -0.895 -11.170 9.634 518 HD22 LEU 66 1HD2 LEU 66 -1.276 -9.628 8.867 519 HD23 LEU 66 2HD2 LEU 66 0.280 -9.856 9.664 520 H PHE 67 H PHE 67 -1.601 -11.763 4.324 521 HA PHE 67 HA PHE 67 -0.788 -9.554 2.901 522 HB2 PHE 67 1HB PHE 67 -2.010 -12.102 1.878 523 HB3 PHE 67 2HB PHE 67 -1.411 -10.852 0.796 524 HD1 PHE 67 HD2 PHE 67 0.998 -10.156 0.987 525 HD2 PHE 67 HD1 PHE 67 -0.539 -13.655 2.856 526 HE1 PHE 67 HE2 PHE 67 3.277 -11.038 1.181 527 HE2 PHE 67 HE1 PHE 67 1.745 -14.552 3.058 528 HZ PHE 67 HZ PHE 67 3.658 -13.245 2.220 529 H ASN 68 H ASN 68 -4.154 -10.774 2.985 530 HA ASN 68 HA ASN 68 -5.138 -8.968 1.077 531 HB2 ASN 68 1HB ASN 68 -6.346 -10.984 1.830 532 HB3 ASN 68 2HB ASN 68 -6.619 -10.229 3.394 533 HD21 ASN 68 2HD2 ASN 68 -7.457 -10.238 0.024 534 HD22 ASN 68 1HD2 ASN 68 -8.885 -9.274 0.166 535 H MET 69 H MET 69 -5.135 -8.748 4.553 536 HA MET 69 HA MET 69 -6.265 -6.215 4.924 537 HB2 MET 69 1HB MET 69 -3.952 -7.334 6.514 538 HB3 MET 69 2HB MET 69 -4.858 -5.906 6.973 539 HG2 MET 69 1HG MET 69 -6.897 -7.320 7.090 540 HG3 MET 69 2HG MET 69 -5.875 -8.726 6.800 541 HE1 MET 69 3HE MET 69 -3.230 -7.960 8.381 542 HE2 MET 69 1HE MET 69 -3.979 -9.552 8.476 543 HE3 MET 69 2HE MET 69 -3.538 -8.697 9.952 544 H CYS 70 H CYS 70 -2.916 -6.947 4.137 545 HA CYS 70 HA CYS 70 -1.924 -4.319 4.359 546 HB2 CYS 70 1HB CYS 70 -0.879 -6.677 2.791 547 HB3 CYS 70 2HB CYS 70 0.014 -5.187 3.069 548 HG CYS 70 HG CYS 70 -0.841 -7.583 5.336 549 H THR 71 H THR 71 -3.296 -6.079 1.580 550 HA THR 71 HA THR 71 -2.454 -4.058 -0.265 551 HB THR 71 HB THR 71 -2.610 -6.397 -1.004 552 HG1 THR 71 HG1 THR 71 -2.952 -5.562 -2.901 553 HG21 THR 71 3HG2 THR 71 -4.576 -7.085 0.293 554 HG22 THR 71 1HG2 THR 71 -4.782 -7.446 -1.422 555 HG23 THR 71 2HG2 THR 71 -5.598 -6.055 -0.709 556 H ASP 72 H ASP 72 -5.451 -4.716 1.483 557 HA ASP 72 HA ASP 72 -7.158 -3.174 -0.149 558 HB2 ASP 72 1HB ASP 72 -7.934 -4.805 1.581 559 HB3 ASP 72 2HB ASP 72 -7.496 -3.629 2.818 560 H TRP 73 H TRP 73 -5.539 -2.204 2.962 561 HA TRP 73 HA TRP 73 -6.384 0.383 3.040 562 HB2 TRP 73 1HB TRP 73 -5.273 -0.815 4.864 563 HB3 TRP 73 2HB TRP 73 -3.766 -0.815 3.968 564 HD1 TRP 73 HD1 TRP 73 -6.036 1.510 6.022 565 HE1 TRP 73 HE1 TRP 73 -4.652 3.576 6.728 566 HE3 TRP 73 HE3 TRP 73 -1.836 0.646 3.288 567 HZ2 TRP 73 HZ2 TRP 73 -2.103 4.682 6.194 568 HZ3 TRP 73 HZ3 TRP 73 0.022 2.242 3.430 569 HH2 TRP 73 HH2 TRP 73 -0.108 4.219 4.854 570 H LEU 74 H LEU 74 -3.792 -0.976 1.124 571 HA LEU 74 HA LEU 74 -2.438 1.487 0.588 572 HB2 LEU 74 1HB LEU 74 -2.444 -1.146 -0.889 573 HB3 LEU 74 2HB LEU 74 -1.466 0.219 -1.387 574 HG LEU 74 HG LEU 74 -1.227 -1.163 1.294 575 HD11 LEU 74 1HD1 LEU 74 -0.577 -2.653 -0.515 576 HD12 LEU 74 2HD1 LEU 74 0.832 -2.115 0.398 577 HD13 LEU 74 3HD1 LEU 74 0.479 -1.405 -1.178 578 HD21 LEU 74 3HD2 LEU 74 -0.527 1.157 1.366 579 HD22 LEU 74 1HD2 LEU 74 0.470 0.924 -0.070 580 HD23 LEU 74 2HD2 LEU 74 0.880 0.098 1.432 581 H ASN 75 H ASN 75 -4.926 -0.320 -1.191 582 HA ASN 75 HA ASN 75 -5.086 1.451 -3.392 583 HB2 ASN 75 1HB ASN 75 -6.065 -0.802 -3.455 584 HB3 ASN 75 2HB ASN 75 -7.245 -0.330 -2.237 585 HD21 ASN 75 2HD2 ASN 75 -9.029 -0.665 -3.494 586 HD22 ASN 75 1HD2 ASN 75 -9.409 0.301 -4.870 587 H HIS 76 H HIS 76 -6.555 1.330 -0.274 588 HA HIS 76 HA HIS 76 -8.556 3.232 -0.459 589 HB2 HIS 76 1HB HIS 76 -8.686 2.052 1.497 590 HB3 HIS 76 2HB HIS 76 -6.946 1.998 1.706 591 HD1 HIS 76 HD1 HIS 76 -9.873 4.346 2.238 592 HD2 HIS 76 HD2 HIS 76 -5.940 3.785 3.504 593 HE1 HIS 76 HE1 HIS 76 -9.535 5.989 4.107 594 H MET 77 H MET 77 -5.099 3.695 -0.183 595 HA MET 77 HA MET 77 -5.098 6.339 0.830 596 HB2 MET 77 1HB MET 77 -3.042 5.190 -1.052 597 HB3 MET 77 2HB MET 77 -2.811 6.449 0.147 598 HG2 MET 77 1HG MET 77 -3.370 4.637 1.884 599 HG3 MET 77 2HG MET 77 -3.185 3.523 0.542 600 HE1 MET 77 3HE MET 77 0.167 6.142 2.287 601 HE2 MET 77 1HE MET 77 -1.426 5.929 3.017 602 HE3 MET 77 2HE MET 77 -1.259 6.815 1.500 603 H TYR 78 H TYR 78 -5.213 5.010 -2.402 604 HA TYR 78 HA TYR 78 -4.787 7.374 -3.871 605 HB2 TYR 78 1HB TYR 78 -6.238 4.838 -4.603 606 HB3 TYR 78 2HB TYR 78 -5.729 6.077 -5.761 607 HD1 TYR 78 HD2 TYR 78 -3.244 6.468 -6.060 608 HD2 TYR 78 HD1 TYR 78 -4.810 3.233 -3.813 609 HE1 TYR 78 HE2 TYR 78 -1.082 5.333 -6.199 610 HE2 TYR 78 HE1 TYR 78 -2.655 2.082 -3.941 611 HH TYR 78 HH TYR 78 -0.690 2.050 -5.254 612 H ASP 79 H ASP 79 -7.678 5.869 -2.606 613 HA ASP 79 HA ASP 79 -9.580 7.315 -4.092 614 HB2 ASP 79 1HB ASP 79 -9.846 5.176 -2.644 615 HB3 ASP 79 2HB ASP 79 -10.121 6.300 -1.319 616 H GLN 80 H GLN 80 -7.615 8.284 -1.441 617 HA GLN 80 HA GLN 80 -9.454 10.428 -0.665 618 HB2 GLN 80 1HB GLN 80 -8.556 9.171 1.197 619 HB3 GLN 80 2HB GLN 80 -6.917 9.387 0.608 620 HG2 GLN 80 1HG GLN 80 -7.332 10.842 2.490 621 HG3 GLN 80 2HG GLN 80 -7.083 11.793 1.029 622 HE21 GLN 80 2HE2 GLN 80 -8.150 13.564 1.849 623 HE22 GLN 80 1HE2 GLN 80 -9.864 13.608 2.056 624 H LEU 81 H LEU 81 -6.207 9.828 -1.876 625 HA LEU 81 HA LEU 81 -5.399 12.537 -1.962 626 HB2 LEU 81 1HB LEU 81 -4.346 10.140 -3.454 627 HB3 LEU 81 2HB LEU 81 -3.560 11.707 -3.394 628 HG LEU 81 HG LEU 81 -4.076 9.923 -1.012 629 HD11 LEU 81 1HD1 LEU 81 -1.659 9.614 -0.972 630 HD12 LEU 81 2HD1 LEU 81 -1.514 10.539 -2.467 631 HD13 LEU 81 3HD1 LEU 81 -2.372 8.997 -2.462 632 HD21 LEU 81 3HD2 LEU 81 -2.640 11.507 0.200 633 HD22 LEU 81 1HD2 LEU 81 -4.118 12.269 -0.386 634 HD23 LEU 81 2HD2 LEU 81 -2.593 12.543 -1.226 635 H LYS 82 H LYS 82 -6.993 10.481 -4.183 636 HA LYS 82 HA LYS 82 -6.835 12.207 -6.447 637 HB2 LYS 82 1HB LYS 82 -8.778 9.991 -5.829 638 HB3 LYS 82 2HB LYS 82 -8.851 10.926 -7.320 639 HG2 LYS 82 1HG LYS 82 -6.589 10.234 -7.886 640 HG3 LYS 82 2HG LYS 82 -6.475 9.328 -6.380 641 HD2 LYS 82 1HD LYS 82 -8.299 7.877 -7.106 642 HD3 LYS 82 2HD LYS 82 -8.441 8.798 -8.605 643 HE2 LYS 82 1HE LYS 82 -5.935 7.352 -7.740 644 HE3 LYS 82 2HE LYS 82 -7.148 6.665 -8.821 645 HZ1 LYS 82 3HZ LYS 82 -5.282 7.653 -10.034 646 HZ2 LYS 82 1HZ LYS 82 -5.615 9.164 -9.355 647 HZ3 LYS 82 2HZ LYS 82 -6.728 8.442 -10.392 648 H ASP 83 H ASP 83 -9.129 12.065 -3.787 649 HA ASP 83 HA ASP 83 -11.025 13.860 -4.906 650 HB2 ASP 83 1HB ASP 83 -11.647 12.369 -3.089 651 HB3 ASP 83 2HB ASP 83 -10.502 13.163 -2.011 652 H TRP 84 H TRP 84 -8.186 14.390 -2.837 653 HA TRP 84 HA TRP 84 -8.717 17.272 -2.899 654 HB2 TRP 84 1HB TRP 84 -8.157 16.160 -0.711 655 HB3 TRP 84 2HB TRP 84 -6.562 15.799 -1.362 656 HD1 TRP 84 HD1 TRP 84 -8.738 18.824 -0.363 657 HE1 TRP 84 HE1 TRP 84 -7.185 20.791 0.222 658 HE3 TRP 84 HE3 TRP 84 -4.261 16.711 -1.631 659 HZ2 TRP 84 HZ2 TRP 84 -4.417 21.361 0.162 660 HZ3 TRP 84 HZ3 TRP 84 -2.207 18.033 -1.335 661 HH2 TRP 84 HH2 TRP 84 -2.286 20.309 -0.458 662 H LYS 85 H LYS 85 -7.311 18.715 -3.849 663 HA LYS 85 HA LYS 85 -6.122 19.362 -5.717 664 HB2 LYS 85 1HB LYS 85 -4.342 19.272 -4.084 665 HB3 LYS 85 2HB LYS 85 -4.165 17.539 -4.302 666 HG2 LYS 85 1HG LYS 85 -2.358 18.735 -5.394 667 HG3 LYS 85 2HG LYS 85 -3.359 17.907 -6.586 668 HD2 LYS 85 1HD LYS 85 -4.533 20.032 -7.027 669 HD3 LYS 85 2HD LYS 85 -3.463 20.840 -5.882 670 HE2 LYS 85 1HE LYS 85 -2.521 19.362 -8.332 671 HE3 LYS 85 2HE LYS 85 -2.807 21.097 -8.282 672 HZ1 LYS 85 3HZ LYS 85 -0.478 20.587 -7.943 673 HZ2 LYS 85 1HZ LYS 85 -0.843 19.620 -6.605 674 HZ3 LYS 85 2HZ LYS 85 -1.128 21.286 -6.560
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