NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21753 | 2i50 | 7298 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 5 HA PRO 5 6.626 -22.976 -8.169 2 HB2 PRO 5 1HB PRO 5 4.131 -23.194 -7.120 3 HB3 PRO 5 2HB PRO 5 5.163 -24.594 -7.525 4 HG2 PRO 5 1HG PRO 5 4.641 -23.253 -4.897 5 HG3 PRO 5 2HG PRO 5 4.782 -24.992 -5.249 6 HD2 PRO 5 1HD PRO 5 6.737 -23.621 -4.117 7 HD3 PRO 5 2HD PRO 5 7.085 -24.893 -5.317 8 H VAL 6 H VAL 6 5.405 -21.284 -5.344 9 HA VAL 6 HA VAL 6 5.060 -18.820 -6.676 10 HB VAL 6 HB VAL 6 3.225 -20.284 -7.603 11 HG11 VAL 6 1HG1 VAL 6 2.212 -20.376 -4.790 12 HG12 VAL 6 2HG1 VAL 6 2.815 -21.720 -5.760 13 HG13 VAL 6 3HG1 VAL 6 1.317 -20.903 -6.218 14 HG21 VAL 6 3HG2 VAL 6 2.977 -17.840 -7.406 15 HG22 VAL 6 1HG2 VAL 6 2.106 -18.102 -5.892 16 HG23 VAL 6 2HG2 VAL 6 1.441 -18.728 -7.405 17 H CYS 7 H CYS 7 3.481 -17.560 -4.927 18 HA CYS 7 HA CYS 7 4.625 -18.118 -2.335 19 HB2 CYS 7 1HB CYS 7 4.800 -15.765 -2.852 20 HB3 CYS 7 2HB CYS 7 3.187 -15.737 -3.568 21 H ARG 8 H ARG 8 3.386 -18.699 -0.648 22 HA ARG 8 HA ARG 8 0.721 -19.652 -1.404 23 HE ARG 8 HE ARG 8 4.230 -22.688 0.090 24 HB2 ARG 8 1HB ARG 8 2.612 -20.894 0.613 25 HB3 ARG 8 2HB ARG 8 0.909 -21.331 0.463 26 HG2 ARG 8 1HG ARG 8 2.055 -22.979 -0.746 27 HG3 ARG 8 2HG ARG 8 1.463 -21.862 -1.975 28 HD2 ARG 8 1HD ARG 8 3.742 -22.470 -2.483 29 HD3 ARG 8 2HD ARG 8 3.687 -20.774 -1.993 30 HH11 ARG 8 1HH1 ARG 8 5.692 -20.376 -2.205 31 HH12 ARG 8 2HH1 ARG 8 7.147 -20.277 -1.338 32 HH21 ARG 8 1HH2 ARG 8 6.247 -22.569 1.189 33 HH22 ARG 8 2HH2 ARG 8 7.501 -21.576 0.585 34 H HIS 9 H HIS 9 1.912 -17.077 -0.085 35 HA HIS 9 HA HIS 9 0.341 -17.022 2.396 36 HD2 HIS 9 HD2 HIS 9 2.373 -17.187 4.474 37 HE1 HIS 9 HE1 HIS 9 6.234 -16.627 2.821 38 HE2 HIS 9 HE2 HIS 9 4.911 -17.664 4.739 39 HB2 HIS 9 1HB HIS 9 2.246 -14.976 1.214 40 HB3 HIS 9 2HB HIS 9 1.436 -14.866 2.778 41 H ILE 10 H ILE 10 -0.506 -17.045 -0.507 42 HA ILE 10 HA ILE 10 -1.027 -14.601 -1.457 43 HB ILE 10 HB ILE 10 -2.621 -17.122 -1.958 44 HG12 ILE 10 1HG1 ILE 10 -0.263 -17.274 -2.545 45 HG13 ILE 10 2HG1 ILE 10 -1.257 -17.219 -4.011 46 HG21 ILE 10 1HG2 ILE 10 -3.425 -16.076 -4.016 47 HG22 ILE 10 2HG2 ILE 10 -2.617 -14.572 -3.569 48 HG23 ILE 10 3HG2 ILE 10 -3.952 -15.179 -2.589 49 HD11 ILE 10 3HD1 ILE 10 -0.676 -14.837 -4.260 50 HD12 ILE 10 1HD1 ILE 10 0.749 -15.888 -4.230 51 HD13 ILE 10 2HD1 ILE 10 0.308 -14.966 -2.799 52 H ARG 11 H ARG 11 -3.261 -16.786 0.098 53 HA ARG 11 HA ARG 11 -5.460 -14.979 0.412 54 HE ARG 11 HE ARG 11 -7.451 -19.328 -1.341 55 HB2 ARG 11 1HB ARG 11 -4.807 -17.508 1.889 56 HB3 ARG 11 2HB ARG 11 -6.370 -16.695 1.918 57 HG2 ARG 11 1HG ARG 11 -6.741 -17.132 -0.385 58 HG3 ARG 11 2HG ARG 11 -5.078 -17.700 -0.609 59 HD2 ARG 11 1HD ARG 11 -5.551 -19.587 0.879 60 HD3 ARG 11 2HD ARG 11 -7.211 -19.015 1.062 61 HH11 ARG 11 1HH1 ARG 11 -4.861 -21.135 0.277 62 HH12 ARG 11 2HH1 ARG 11 -4.896 -22.421 -0.831 63 HH21 ARG 11 1HH2 ARG 11 -7.478 -21.142 -2.848 64 HH22 ARG 11 2HH2 ARG 11 -6.413 -22.449 -2.608 65 H LYS 12 H LYS 12 -2.696 -15.725 2.358 66 HA LYS 12 HA LYS 12 -3.579 -14.631 4.774 67 HB2 LYS 12 1HB LYS 12 -0.829 -15.212 3.697 68 HB3 LYS 12 2HB LYS 12 -1.087 -14.560 5.302 69 HG2 LYS 12 1HG LYS 12 -0.722 -16.911 5.433 70 HG3 LYS 12 2HG LYS 12 -2.407 -16.585 5.878 71 HD2 LYS 12 1HD LYS 12 -3.069 -17.361 3.621 72 HD3 LYS 12 2HD LYS 12 -1.377 -17.685 3.240 73 HE2 LYS 12 1HE LYS 12 -1.276 -19.270 5.117 74 HE3 LYS 12 2HE LYS 12 -2.970 -18.944 5.457 75 HZ1 LYS 12 3HZ LYS 12 -3.509 -19.871 3.237 76 HZ2 LYS 12 1HZ LYS 12 -2.727 -20.965 4.241 77 HZ3 LYS 12 2HZ LYS 12 -1.865 -20.256 3.028 78 H GLY 13 H GLY 13 -2.214 -13.351 1.903 79 HA2 GLY 13 1HA GLY 13 -1.909 -10.679 3.117 80 HA3 GLY 13 2HA GLY 13 -0.928 -11.295 1.805 81 H LEU 14 H LEU 14 -3.958 -12.384 1.115 82 HA LEU 14 HA LEU 14 -4.792 -9.895 -0.177 83 HG LEU 14 HG LEU 14 -4.894 -9.906 -2.656 84 HB2 LEU 14 1HB LEU 14 -3.522 -11.696 -1.567 85 HB3 LEU 14 2HB LEU 14 -5.022 -12.601 -1.403 86 HD11 LEU 14 1HD1 LEU 14 -3.410 -11.408 -3.807 87 HD12 LEU 14 2HD1 LEU 14 -4.872 -11.138 -4.772 88 HD13 LEU 14 3HD1 LEU 14 -4.669 -12.638 -3.860 89 HD21 LEU 14 3HD2 LEU 14 -6.896 -12.149 -2.697 90 HD22 LEU 14 1HD2 LEU 14 -6.854 -10.798 -3.827 91 HD23 LEU 14 2HD2 LEU 14 -7.127 -10.490 -2.103 92 H GLU 15 H GLU 15 -6.835 -9.475 0.479 93 HA GLU 15 HA GLU 15 -8.487 -11.786 1.006 94 HB2 GLU 15 1HB GLU 15 -7.701 -10.445 3.077 95 HB3 GLU 15 2HB GLU 15 -8.871 -9.238 2.554 96 HG2 GLU 15 1HG GLU 15 -9.376 -12.050 3.398 97 HG3 GLU 15 2HG GLU 15 -9.663 -10.565 4.287 98 H GLN 16 H GLN 16 -9.694 -11.632 -0.968 99 HA GLN 16 HA GLN 16 -10.019 -9.383 -2.442 100 HB2 GLN 16 1HB GLN 16 -11.984 -11.661 -2.506 101 HB3 GLN 16 2HB GLN 16 -11.704 -10.430 -3.733 102 HG2 GLN 16 1HG GLN 16 -9.386 -11.318 -4.030 103 HG3 GLN 16 2HG GLN 16 -9.810 -12.607 -2.897 104 HE21 GLN 16 1HE2 GLN 16 -12.540 -12.762 -3.921 105 HE22 GLN 16 2HE2 GLN 16 -12.392 -13.563 -5.451 106 H GLY 17 H GLY 17 -12.182 -10.701 0.028 107 HA2 GLY 17 1HA GLY 17 -14.554 -9.344 -0.574 108 HA3 GLY 17 2HA GLY 17 -14.113 -9.996 1.006 109 H ASN 18 H ASN 18 -12.077 -8.469 1.846 110 HA ASN 18 HA ASN 18 -13.488 -6.030 2.328 111 HB2 ASN 18 1HB ASN 18 -11.953 -5.585 4.149 112 HB3 ASN 18 2HB ASN 18 -12.127 -7.336 4.080 113 HD21 ASN 18 1HD2 ASN 18 -10.290 -7.802 1.975 114 HD22 ASN 18 2HD2 ASN 18 -8.782 -7.397 2.716 115 H LEU 19 H LEU 19 -11.179 -6.989 0.082 116 HA LEU 19 HA LEU 19 -9.836 -4.546 -0.500 117 HG LEU 19 HG LEU 19 -8.279 -7.513 -2.114 118 HB2 LEU 19 1HB LEU 19 -10.434 -7.050 -2.011 119 HB3 LEU 19 2HB LEU 19 -9.919 -5.622 -2.897 120 HD11 LEU 19 1HD1 LEU 19 -7.708 -4.559 -2.066 121 HD12 LEU 19 2HD1 LEU 19 -7.597 -5.671 -3.459 122 HD13 LEU 19 3HD1 LEU 19 -6.475 -5.827 -2.088 123 HD21 LEU 19 3HD2 LEU 19 -7.053 -6.903 -0.153 124 HD22 LEU 19 1HD2 LEU 19 -8.738 -7.236 0.233 125 HD23 LEU 19 2HD2 LEU 19 -8.165 -5.558 0.152 126 H LYS 20 H LYS 20 -12.856 -6.031 -1.803 127 HA LYS 20 HA LYS 20 -13.442 -4.019 -3.695 128 HB2 LYS 20 1HB LYS 20 -15.459 -5.532 -2.049 129 HB3 LYS 20 2HB LYS 20 -15.578 -5.027 -3.724 130 HG2 LYS 20 1HG LYS 20 -13.771 -7.253 -2.754 131 HG3 LYS 20 2HG LYS 20 -15.396 -7.475 -3.433 132 HD2 LYS 20 1HD LYS 20 -13.158 -6.115 -4.835 133 HD3 LYS 20 2HD LYS 20 -13.415 -7.867 -4.912 134 HE2 LYS 20 1HE LYS 20 -15.439 -5.775 -5.721 135 HE3 LYS 20 2HE LYS 20 -14.365 -6.672 -6.807 136 HZ1 LYS 20 3HZ LYS 20 -16.550 -7.672 -6.740 137 HZ2 LYS 20 1HZ LYS 20 -16.456 -7.878 -5.066 138 HZ3 LYS 20 2HZ LYS 20 -15.412 -8.729 -6.046 139 H LYS 21 H LYS 21 -14.062 -4.152 -0.240 140 HA LYS 21 HA LYS 21 -15.923 -1.938 -0.372 141 HB2 LYS 21 1HB LYS 21 -14.489 -3.144 1.980 142 HB3 LYS 21 2HB LYS 21 -15.928 -2.137 2.017 143 HG2 LYS 21 1HG LYS 21 -17.286 -3.835 1.185 144 HG3 LYS 21 2HG LYS 21 -15.896 -4.793 0.632 145 HD2 LYS 21 1HD LYS 21 -16.761 -5.790 2.633 146 HD3 LYS 21 2HD LYS 21 -15.196 -5.026 2.931 147 HE2 LYS 21 1HE LYS 21 -16.317 -3.074 3.912 148 HE3 LYS 21 2HE LYS 21 -17.889 -3.822 3.631 149 HZ1 LYS 21 3HZ LYS 21 -17.296 -4.152 5.888 150 HZ2 LYS 21 1HZ LYS 21 -15.766 -4.756 5.486 151 HZ3 LYS 21 2HZ LYS 21 -17.157 -5.637 5.118 152 H ALA 22 H ALA 22 -12.510 -2.413 0.036 153 HA ALA 22 HA ALA 22 -12.072 0.111 1.323 154 HB1 ALA 22 3HB ALA 22 -9.728 -0.437 1.114 155 HB2 ALA 22 1HB ALA 22 -10.121 -1.785 0.047 156 HB3 ALA 22 2HB ALA 22 -10.623 -1.830 1.732 157 H LEU 23 H LEU 23 -11.818 -1.243 -1.918 158 HA LEU 23 HA LEU 23 -10.427 1.090 -2.830 159 HG LEU 23 HG LEU 23 -10.391 -2.342 -3.075 160 HB2 LEU 23 1HB LEU 23 -11.522 -1.015 -4.623 161 HB3 LEU 23 2HB LEU 23 -10.121 0.019 -4.870 162 HD11 LEU 23 1HD1 LEU 23 -8.616 -1.862 -5.412 163 HD12 LEU 23 2HD1 LEU 23 -9.992 -2.962 -5.292 164 HD13 LEU 23 3HD1 LEU 23 -8.538 -3.254 -4.334 165 HD21 LEU 23 3HD2 LEU 23 -9.090 -0.657 -1.873 166 HD22 LEU 23 1HD2 LEU 23 -7.929 -0.584 -3.208 167 HD23 LEU 23 2HD2 LEU 23 -8.140 -2.076 -2.252 168 H VAL 24 H VAL 24 -13.588 0.368 -2.345 169 HA VAL 24 HA VAL 24 -15.016 1.371 -4.515 170 HB VAL 24 HB VAL 24 -15.743 1.686 -1.582 171 HG11 VAL 24 1HG1 VAL 24 -18.023 2.082 -2.309 172 HG12 VAL 24 2HG1 VAL 24 -17.485 2.094 -3.998 173 HG13 VAL 24 3HG1 VAL 24 -16.930 3.352 -2.884 174 HG21 VAL 24 3HG2 VAL 24 -17.280 -0.134 -2.029 175 HG22 VAL 24 1HG2 VAL 24 -15.604 -0.605 -2.317 176 HG23 VAL 24 2HG2 VAL 24 -16.667 -0.238 -3.681 177 H ASN 25 H ASN 25 -14.167 3.414 -1.738 178 HA ASN 25 HA ASN 25 -14.224 5.689 -3.594 179 HB2 ASN 25 1HB ASN 25 -15.227 5.483 -0.772 180 HB3 ASN 25 2HB ASN 25 -14.893 7.048 -1.531 181 HD21 ASN 25 1HD2 ASN 25 -17.385 5.798 -0.572 182 HD22 ASN 25 2HD2 ASN 25 -18.485 5.888 -1.910 183 H VAL 26 H VAL 26 -12.116 3.904 -2.662 184 HA VAL 26 HA VAL 26 -10.428 5.145 -0.865 185 HB VAL 26 HB VAL 26 -10.539 2.808 -1.958 186 HG11 VAL 26 1HG1 VAL 26 -8.720 4.044 -3.910 187 HG12 VAL 26 2HG1 VAL 26 -10.293 3.262 -4.171 188 HG13 VAL 26 3HG1 VAL 26 -8.925 2.315 -3.608 189 HG21 VAL 26 3HG2 VAL 26 -9.137 3.349 -0.209 190 HG22 VAL 26 1HG2 VAL 26 -7.950 4.098 -1.300 191 HG23 VAL 26 2HG2 VAL 26 -8.275 2.340 -1.399 192 H GLU 27 H GLU 27 -8.402 6.065 -1.415 193 HA GLU 27 HA GLU 27 -8.431 7.840 -3.689 194 HB2 GLU 27 1HB GLU 27 -6.383 8.737 -2.571 195 HB3 GLU 27 2HB GLU 27 -7.893 9.098 -1.772 196 HG2 GLU 27 1HG GLU 27 -5.980 6.903 -0.962 197 HG3 GLU 27 2HG GLU 27 -6.010 8.559 -0.326 198 H TRP 28 H TRP 28 -7.030 7.517 -5.233 199 HA TRP 28 HA TRP 28 -5.288 5.211 -4.942 200 HD1 TRP 28 HD1 TRP 28 -8.792 4.884 -7.318 201 HE1 TRP 28 HE1 TRP 28 -9.392 2.447 -6.721 202 HE3 TRP 28 HE3 TRP 28 -4.267 3.401 -5.644 203 HZ2 TRP 28 HZ2 TRP 28 -8.061 0.223 -5.732 204 HZ3 TRP 28 HZ3 TRP 28 -3.993 1.094 -4.860 205 HH2 TRP 28 HH2 TRP 28 -5.861 -0.457 -4.892 206 HB2 TRP 28 1HB TRP 28 -6.750 6.348 -7.151 207 HB3 TRP 28 2HB TRP 28 -5.331 5.397 -7.581 208 H ASN 29 H ASN 29 -3.356 5.135 -5.122 209 HA ASN 29 HA ASN 29 -1.230 5.637 -5.130 210 HB2 ASN 29 1HB ASN 29 -1.878 6.247 -7.425 211 HB3 ASN 29 2HB ASN 29 -1.759 7.950 -7.013 212 HD21 ASN 29 1HD2 ASN 29 -0.091 5.129 -7.742 213 HD22 ASN 29 2HD2 ASN 29 1.505 5.793 -7.618 214 H ILE 30 H ILE 30 -3.115 6.677 -3.369 215 HA ILE 30 HA ILE 30 -1.519 8.874 -2.306 216 HB ILE 30 HB ILE 30 -4.516 8.508 -2.115 217 HG12 ILE 30 1HG1 ILE 30 -2.852 10.685 -3.395 218 HG13 ILE 30 2HG1 ILE 30 -3.809 9.470 -4.251 219 HG21 ILE 30 1HG2 ILE 30 -4.535 10.597 -0.778 220 HG22 ILE 30 2HG2 ILE 30 -2.779 10.609 -0.792 221 HG23 ILE 30 3HG2 ILE 30 -3.646 9.322 0.030 222 HD11 ILE 30 3HD1 ILE 30 -5.849 10.493 -3.359 223 HD12 ILE 30 1HD1 ILE 30 -4.869 11.654 -4.256 224 HD13 ILE 30 2HD1 ILE 30 -4.863 11.669 -2.489 225 H CYS 31 H CYS 31 -0.331 7.647 -0.921 226 HA CYS 31 HA CYS 31 -1.275 5.583 0.686 227 HB2 CYS 31 1HB CYS 31 1.060 5.847 0.804 228 HB3 CYS 31 2HB CYS 31 1.018 7.537 1.255 229 H GLN 32 H GLN 32 -3.049 5.686 1.608 230 HA GLN 32 HA GLN 32 -4.285 7.948 2.627 231 HB2 GLN 32 1HB GLN 32 -5.865 6.367 3.710 232 HB3 GLN 32 2HB GLN 32 -5.668 6.082 1.983 233 HG2 GLN 32 1HG GLN 32 -4.127 4.264 2.532 234 HG3 GLN 32 2HG GLN 32 -4.521 4.508 4.247 235 HE21 GLN 32 1HE2 GLN 32 -5.767 3.656 1.134 236 HE22 GLN 32 2HE2 GLN 32 -7.189 2.868 1.720 237 H ASP 33 H ASP 33 -2.054 5.753 4.098 238 HA ASP 33 HA ASP 33 -2.671 6.575 6.761 239 HB2 ASP 33 1HB ASP 33 -1.450 4.417 6.110 240 HB3 ASP 33 2HB ASP 33 0.000 5.427 5.963 241 H CYS 34 H CYS 34 -0.931 8.177 4.171 242 HA CYS 34 HA CYS 34 0.688 9.783 5.790 243 HB2 CYS 34 1HB CYS 34 -0.265 9.555 3.023 244 HB3 CYS 34 2HB CYS 34 0.256 11.136 3.558 245 H LYS 35 H LYS 35 -2.475 9.690 4.484 246 HA LYS 35 HA LYS 35 -3.156 12.494 4.845 247 HB2 LYS 35 1HB LYS 35 -5.096 10.282 4.343 248 HB3 LYS 35 2HB LYS 35 -5.199 11.976 3.877 249 HG2 LYS 35 1HG LYS 35 -3.335 10.008 2.784 250 HG3 LYS 35 2HG LYS 35 -4.967 10.410 2.187 251 HD2 LYS 35 1HD LYS 35 -3.528 11.767 0.797 252 HD3 LYS 35 2HD LYS 35 -4.080 12.838 2.077 253 HE2 LYS 35 1HE LYS 35 -1.967 12.587 3.253 254 HE3 LYS 35 2HE LYS 35 -1.440 11.382 2.087 255 HZ1 LYS 35 3HZ LYS 35 -2.076 14.177 1.410 256 HZ2 LYS 35 1HZ LYS 35 -1.354 13.036 0.402 257 HZ3 LYS 35 2HZ LYS 35 -0.510 13.639 1.754 258 H THR 36 H THR 36 -3.740 9.393 6.443 259 HA THR 36 HA THR 36 -5.671 10.624 7.825 260 HB THR 36 HB THR 36 -5.745 8.373 9.182 261 HG1 THR 36 HG1 THR 36 -3.850 7.439 8.713 262 HG21 THR 36 3HG2 THR 36 -6.935 7.307 7.320 263 HG22 THR 36 1HG2 THR 36 -6.201 8.464 6.202 264 HG23 THR 36 2HG2 THR 36 -7.327 9.024 7.442 265 H ASP 37 H ASP 37 -2.601 11.038 8.020 266 HA ASP 37 HA ASP 37 -1.958 10.557 10.779 267 HB2 ASP 37 1HB ASP 37 -0.260 10.232 8.955 268 HB3 ASP 37 2HB ASP 37 -0.376 11.962 8.662 269 H ASN 38 H ASN 38 -3.706 11.873 11.361 270 HA ASN 38 HA ASN 38 -3.980 14.626 10.916 271 HB2 ASN 38 1HB ASN 38 -4.905 13.020 13.289 272 HB3 ASN 38 2HB ASN 38 -5.332 14.709 12.990 273 HD21 ASN 38 1HD2 ASN 38 -7.509 14.204 12.877 274 HD22 ASN 38 2HD2 ASN 38 -8.220 13.349 11.545 275 H LYS 39 H LYS 39 -1.630 13.109 12.762 276 HA LYS 39 HA LYS 39 -1.009 14.738 14.913 277 HB2 LYS 39 1HB LYS 39 0.912 13.522 12.940 278 HB3 LYS 39 2HB LYS 39 1.353 14.083 14.547 279 HG2 LYS 39 1HG LYS 39 0.006 12.334 15.520 280 HG3 LYS 39 2HG LYS 39 -0.431 11.779 13.892 281 HD2 LYS 39 1HD LYS 39 1.890 11.478 13.336 282 HD3 LYS 39 2HD LYS 39 2.382 12.050 14.923 283 HE2 LYS 39 1HE LYS 39 0.704 9.629 14.383 284 HE3 LYS 39 2HE LYS 39 2.449 9.605 14.682 285 HZ1 LYS 39 3HZ LYS 39 0.316 10.428 16.597 286 HZ2 LYS 39 1HZ LYS 39 1.969 10.586 16.888 287 HZ3 LYS 39 2HZ LYS 39 1.279 9.067 16.694 288 H VAL 40 H VAL 40 -0.001 15.063 11.535 289 HA VAL 40 HA VAL 40 1.119 17.698 12.112 290 HB VAL 40 HB VAL 40 2.358 17.410 10.070 291 HG11 VAL 40 1HG1 VAL 40 2.731 15.158 12.038 292 HG12 VAL 40 2HG1 VAL 40 3.409 16.783 12.166 293 HG13 VAL 40 3HG1 VAL 40 3.948 15.702 10.883 294 HG21 VAL 40 3HG2 VAL 40 1.171 14.650 10.012 295 HG22 VAL 40 1HG2 VAL 40 2.506 15.195 8.998 296 HG23 VAL 40 2HG2 VAL 40 0.921 15.946 8.841 297 H LYS 41 H LYS 41 0.988 19.333 10.538 298 HA LYS 41 HA LYS 41 -1.674 19.683 9.760 299 HB2 LYS 41 1HB LYS 41 -1.091 21.863 9.562 300 HB3 LYS 41 2HB LYS 41 -0.003 21.265 10.800 301 HG2 LYS 41 1HG LYS 41 1.846 21.198 9.274 302 HG3 LYS 41 2HG LYS 41 0.807 21.652 7.923 303 HD2 LYS 41 1HD LYS 41 0.316 23.768 9.230 304 HD3 LYS 41 2HD LYS 41 1.642 23.300 10.291 305 HE2 LYS 41 1HE LYS 41 1.814 23.767 7.321 306 HE3 LYS 41 2HE LYS 41 2.383 24.874 8.560 307 HZ1 LYS 41 3HZ LYS 41 3.504 22.194 7.860 308 HZ2 LYS 41 1HZ LYS 41 3.993 23.080 9.230 309 HZ3 LYS 41 2HZ LYS 41 4.217 23.683 7.677 310 H ASP 42 H ASP 42 1.370 19.062 8.140 311 HA ASP 42 HA ASP 42 0.321 19.810 5.590 312 HB2 ASP 42 1HB ASP 42 2.979 18.506 6.216 313 HB3 ASP 42 2HB ASP 42 2.441 18.969 4.602 314 H LYS 43 H LYS 43 1.780 16.640 6.425 315 HA LYS 43 HA LYS 43 1.296 14.540 5.733 316 HB2 LYS 43 1HB LYS 43 -1.452 15.696 5.176 317 HB3 LYS 43 2HB LYS 43 -1.055 13.975 5.080 318 HG2 LYS 43 1HG LYS 43 -0.623 13.852 7.379 319 HG3 LYS 43 2HG LYS 43 -0.728 15.602 7.574 320 HD2 LYS 43 1HD LYS 43 -2.978 13.767 6.747 321 HD3 LYS 43 2HD LYS 43 -2.731 14.394 8.372 322 HE2 LYS 43 1HE LYS 43 -3.342 16.008 5.892 323 HE3 LYS 43 2HE LYS 43 -4.428 15.678 7.233 324 HZ1 LYS 43 3HZ LYS 43 -2.024 17.420 7.259 325 HZ2 LYS 43 1HZ LYS 43 -2.787 16.890 8.684 326 HZ3 LYS 43 2HZ LYS 43 -3.619 17.792 7.566 327 H ALA 44 H ALA 44 1.850 16.912 4.002 328 HA ALA 44 HA ALA 44 2.618 15.780 1.601 329 HB1 ALA 44 3HB ALA 44 0.090 17.466 1.462 330 HB2 ALA 44 1HB ALA 44 0.209 15.765 0.999 331 HB3 ALA 44 2HB ALA 44 1.069 17.002 0.074 332 H GLU 45 H GLU 45 4.448 16.936 1.908 333 HA GLU 45 HA GLU 45 4.177 19.669 2.811 334 HB2 GLU 45 1HB GLU 45 6.657 17.991 2.404 335 HB3 GLU 45 2HB GLU 45 6.606 19.600 3.143 336 HG2 GLU 45 1HG GLU 45 5.194 18.732 4.936 337 HG3 GLU 45 2HG GLU 45 5.237 17.134 4.204 338 H GLU 46 H GLU 46 3.410 20.741 1.190 339 HA GLU 46 HA GLU 46 3.689 20.556 -1.456 340 HB2 GLU 46 1HB GLU 46 2.166 21.922 -0.042 341 HB3 GLU 46 2HB GLU 46 3.472 23.107 0.078 342 HG2 GLU 46 1HG GLU 46 3.474 23.204 -2.376 343 HG3 GLU 46 2HG GLU 46 2.032 22.172 -2.323 344 H GLU 47 H GLU 47 5.873 22.225 0.743 345 HA GLU 47 HA GLU 47 7.381 23.691 -1.069 346 HB2 GLU 47 1HB GLU 47 9.177 23.654 0.643 347 HB3 GLU 47 2HB GLU 47 7.578 24.086 1.265 348 HG2 GLU 47 1HG GLU 47 7.277 21.970 2.190 349 HG3 GLU 47 2HG GLU 47 8.744 21.356 1.405 350 H THR 48 H THR 48 7.539 20.345 -0.255 351 HA THR 48 HA THR 48 9.920 20.008 -1.907 352 HB THR 48 HB THR 48 8.555 18.042 -0.049 353 HG1 THR 48 HG1 THR 48 10.402 20.076 0.281 354 HG21 THR 48 3HG2 THR 48 11.295 17.979 -1.352 355 HG22 THR 48 1HG2 THR 48 9.922 16.974 -1.819 356 HG23 THR 48 2HG2 THR 48 10.653 16.779 -0.229 357 H GLU 49 H GLU 49 6.515 19.301 -1.683 358 HA GLU 49 HA GLU 49 5.090 18.064 -2.780 359 HB2 GLU 49 1HB GLU 49 4.880 18.520 -5.245 360 HB3 GLU 49 2HB GLU 49 5.001 19.960 -4.230 361 HG2 GLU 49 1HG GLU 49 7.326 20.172 -4.845 362 HG3 GLU 49 2HG GLU 49 7.189 18.718 -5.835 363 H GLU 50 H GLU 50 5.625 16.220 -2.077 364 HA GLU 50 HA GLU 50 7.612 14.659 -3.452 365 HB2 GLU 50 1HB GLU 50 7.551 13.189 -1.531 366 HB3 GLU 50 2HB GLU 50 7.763 14.850 -1.020 367 HG2 GLU 50 1HG GLU 50 5.111 13.404 -0.942 368 HG3 GLU 50 2HG GLU 50 6.241 13.428 0.400 369 H LYS 51 H LYS 51 7.200 12.784 -4.545 370 HA LYS 51 HA LYS 51 4.636 11.688 -4.171 371 HB2 LYS 51 1HB LYS 51 4.508 11.008 -6.529 372 HB3 LYS 51 2HB LYS 51 4.309 12.759 -6.303 373 HG2 LYS 51 1HG LYS 51 6.815 11.356 -7.110 374 HG3 LYS 51 2HG LYS 51 5.637 11.967 -8.274 375 HD2 LYS 51 1HD LYS 51 6.088 14.192 -7.708 376 HD3 LYS 51 2HD LYS 51 6.875 13.734 -6.191 377 HE2 LYS 51 1HE LYS 51 8.542 14.346 -7.788 378 HE3 LYS 51 2HE LYS 51 8.532 12.616 -7.378 379 HZ1 LYS 51 3HZ LYS 51 7.503 12.079 -9.449 380 HZ2 LYS 51 1HZ LYS 51 8.846 13.024 -9.786 381 HZ3 LYS 51 2HZ LYS 51 7.296 13.701 -9.864 382 HA PRO 52 HA PRO 52 7.801 8.475 -3.377 383 HB2 PRO 52 1HB PRO 52 6.484 7.382 -1.320 384 HB3 PRO 52 2HB PRO 52 7.393 8.899 -1.115 385 HG2 PRO 52 1HG PRO 52 4.459 8.462 -1.556 386 HG3 PRO 52 2HG PRO 52 5.259 9.490 -0.349 387 HD2 PRO 52 1HD PRO 52 4.281 10.506 -2.655 388 HD3 PRO 52 2HD PRO 52 5.770 11.106 -1.866 389 H SER 53 H SER 53 7.495 6.066 -3.152 390 HA SER 53 HA SER 53 5.818 5.115 -5.189 391 HG SER 53 HG SER 53 8.554 3.236 -2.957 392 HB2 SER 53 1HB SER 53 6.716 2.916 -4.175 393 HB3 SER 53 2HB SER 53 7.877 4.028 -4.930 394 H VAL 54 H VAL 54 4.077 3.793 -4.894 395 HA VAL 54 HA VAL 54 2.869 3.899 -2.183 396 HB VAL 54 HB VAL 54 1.259 4.434 -4.706 397 HG11 VAL 54 1HG1 VAL 54 -0.511 4.966 -3.167 398 HG12 VAL 54 2HG1 VAL 54 0.574 4.717 -1.798 399 HG13 VAL 54 3HG1 VAL 54 0.111 3.354 -2.812 400 HG21 VAL 54 3HG2 VAL 54 2.764 6.316 -4.215 401 HG22 VAL 54 1HG2 VAL 54 2.120 6.386 -2.573 402 HG23 VAL 54 2HG2 VAL 54 1.062 6.723 -3.941 403 H TRP 55 H TRP 55 2.567 2.231 -1.494 404 HA TRP 55 HA TRP 55 2.095 -0.120 -3.179 405 HD1 TRP 55 HD1 TRP 55 5.315 1.614 -1.520 406 HE1 TRP 55 HE1 TRP 55 7.418 0.976 -2.905 407 HE3 TRP 55 HE3 TRP 55 3.910 -3.023 -3.101 408 HZ2 TRP 55 HZ2 TRP 55 8.333 -1.174 -4.435 409 HZ3 TRP 55 HZ3 TRP 55 5.451 -4.311 -4.514 410 HH2 TRP 55 HH2 TRP 55 7.616 -3.402 -5.172 411 HB2 TRP 55 1HB TRP 55 3.392 0.043 -0.453 412 HB3 TRP 55 2HB TRP 55 3.046 -1.462 -1.308 413 H LEU 56 H LEU 56 0.329 -1.050 -2.989 414 HA LEU 56 HA LEU 56 -1.516 -0.250 -0.855 415 HG LEU 56 HG LEU 56 -3.686 -1.674 -1.249 416 HB2 LEU 56 1HB LEU 56 -2.398 0.198 -3.000 417 HB3 LEU 56 2HB LEU 56 -2.177 -1.458 -3.552 418 HD11 LEU 56 1HD1 LEU 56 -4.702 0.666 -2.803 419 HD12 LEU 56 2HD1 LEU 56 -4.099 0.654 -1.144 420 HD13 LEU 56 3HD1 LEU 56 -5.585 -0.202 -1.547 421 HD21 LEU 56 3HD2 LEU 56 -3.947 -3.035 -3.148 422 HD22 LEU 56 1HD2 LEU 56 -4.505 -1.673 -4.125 423 HD23 LEU 56 2HD2 LEU 56 -5.506 -2.282 -2.785 424 H CYS 57 H CYS 57 -1.977 -1.634 0.675 425 HA CYS 57 HA CYS 57 -1.072 -4.319 0.932 426 HB2 CYS 57 1HB CYS 57 -1.799 -2.663 2.753 427 HB3 CYS 57 2HB CYS 57 -3.446 -3.041 2.281 428 H LEU 58 H LEU 58 -1.711 -5.959 -0.465 429 HA LEU 58 HA LEU 58 -4.189 -5.960 -1.846 430 HG LEU 58 HG LEU 58 -1.948 -5.779 -3.099 431 HB2 LEU 58 1HB LEU 58 -1.894 -7.811 -1.363 432 HB3 LEU 58 2HB LEU 58 -3.297 -8.309 -2.292 433 HD11 LEU 58 1HD1 LEU 58 -0.448 -7.050 -4.504 434 HD12 LEU 58 2HD1 LEU 58 -0.965 -8.563 -3.718 435 HD13 LEU 58 3HD1 LEU 58 -0.105 -7.314 -2.797 436 HD21 LEU 58 3HD2 LEU 58 -3.989 -6.484 -4.173 437 HD22 LEU 58 1HD2 LEU 58 -3.275 -8.072 -4.485 438 HD23 LEU 58 2HD2 LEU 58 -2.616 -6.649 -5.284 439 H LYS 59 H LYS 59 -3.300 -6.613 1.121 440 HA LYS 59 HA LYS 59 -5.201 -8.683 1.667 441 HB2 LYS 59 1HB LYS 59 -3.165 -8.745 2.860 442 HB3 LYS 59 2HB LYS 59 -3.395 -7.129 3.525 443 HG2 LYS 59 1HG LYS 59 -3.954 -8.607 5.250 444 HG3 LYS 59 2HG LYS 59 -5.419 -7.952 4.472 445 HD2 LYS 59 1HD LYS 59 -5.934 -9.929 3.408 446 HD3 LYS 59 2HD LYS 59 -4.319 -10.621 3.584 447 HE2 LYS 59 1HE LYS 59 -4.754 -10.724 6.037 448 HE3 LYS 59 2HE LYS 59 -6.434 -10.248 5.692 449 HZ1 LYS 59 3HZ LYS 59 -5.949 -12.657 6.000 450 HZ2 LYS 59 1HZ LYS 59 -5.231 -12.704 4.487 451 HZ3 LYS 59 2HZ LYS 59 -6.875 -12.283 4.674 452 H CYS 60 H CYS 60 -4.966 -5.260 2.441 453 HA CYS 60 HA CYS 60 -7.880 -5.351 3.088 454 HB2 CYS 60 1HB CYS 60 -7.660 -4.023 5.045 455 HB3 CYS 60 2HB CYS 60 -6.452 -5.322 5.111 456 H GLY 61 H GLY 61 -5.715 -3.812 1.152 457 HA2 GLY 61 1HA GLY 61 -6.179 -2.137 -0.337 458 HA3 GLY 61 2HA GLY 61 -7.713 -1.839 0.493 459 H HIS 62 H HIS 62 -5.116 -1.922 2.611 460 HA HIS 62 HA HIS 62 -5.142 0.945 3.121 461 HD1 HIS 62 HD1 HIS 62 -1.179 0.204 4.275 462 HD2 HIS 62 HD2 HIS 62 -4.455 1.802 6.262 463 HE1 HIS 62 HE1 HIS 62 -0.284 2.069 5.663 464 HB2 HIS 62 1HB HIS 62 -4.772 -0.629 4.986 465 HB3 HIS 62 2HB HIS 62 -3.339 -1.259 4.164 466 H GLN 63 H GLN 63 -4.050 2.328 2.210 467 HA GLN 63 HA GLN 63 -1.996 1.411 0.381 468 HB2 GLN 63 1HB GLN 63 -4.100 2.721 -0.199 469 HB3 GLN 63 2HB GLN 63 -3.159 4.122 0.322 470 HG2 GLN 63 1HG GLN 63 -1.468 3.645 -1.289 471 HG3 GLN 63 2HG GLN 63 -2.327 2.179 -1.795 472 HE21 GLN 63 1HE2 GLN 63 -4.912 3.558 -1.547 473 HE22 GLN 63 2HE2 GLN 63 -5.007 4.585 -2.901 474 H GLY 64 H GLY 64 -0.053 1.902 0.770 475 HA2 GLY 64 1HA GLY 64 0.682 4.072 2.583 476 HA3 GLY 64 2HA GLY 64 1.348 2.447 2.730 477 H CYS 65 H CYS 65 2.811 4.641 2.492 478 HA CYS 65 HA CYS 65 3.721 4.719 -0.233 479 HB2 CYS 65 1HB CYS 65 5.140 6.617 0.643 480 HB3 CYS 65 2HB CYS 65 3.398 6.855 0.800 481 H GLY 66 H GLY 66 5.719 3.954 -0.778 482 HA2 GLY 66 1HA GLY 66 6.730 1.930 1.064 483 HA3 GLY 66 2HA GLY 66 7.070 2.038 -0.665 484 H ARG 67 H ARG 67 9.162 1.783 -0.454 485 HA ARG 67 HA ARG 67 10.921 2.784 1.389 486 HE ARG 67 HE ARG 67 15.350 2.684 0.852 487 HB2 ARG 67 1HB ARG 67 11.417 0.990 -0.199 488 HB3 ARG 67 2HB ARG 67 11.467 2.162 -1.508 489 HG2 ARG 67 1HG ARG 67 13.718 1.737 -0.947 490 HG3 ARG 67 2HG ARG 67 13.289 3.299 -0.239 491 HD2 ARG 67 1HD ARG 67 12.947 2.268 1.933 492 HD3 ARG 67 2HD ARG 67 13.355 0.689 1.261 493 HH11 ARG 67 1HH1 ARG 67 14.240 0.183 3.115 494 HH12 ARG 67 2HH1 ARG 67 15.715 0.065 3.937 495 HH21 ARG 67 1HH2 ARG 67 17.367 2.533 1.986 496 HH22 ARG 67 2HH2 ARG 67 17.561 1.452 3.281 497 H ASN 68 H ASN 68 9.584 4.506 -1.354 498 HA ASN 68 HA ASN 68 11.766 6.439 -1.392 499 HB2 ASN 68 1HB ASN 68 9.196 6.458 -2.915 500 HB3 ASN 68 2HB ASN 68 10.579 7.523 -3.223 501 HD21 ASN 68 1HD2 ASN 68 9.362 5.848 -5.105 502 HD22 ASN 68 2HD2 ASN 68 10.511 4.636 -5.554 503 H SER 69 H SER 69 9.703 6.144 0.859 504 HA SER 69 HA SER 69 9.142 8.989 0.964 505 HG SER 69 HG SER 69 7.820 5.747 1.772 506 HB2 SER 69 1HB SER 69 7.281 8.431 2.470 507 HB3 SER 69 2HB SER 69 7.073 7.702 0.865 508 H GLN 70 H GLN 70 9.142 9.773 3.228 509 HA GLN 70 HA GLN 70 11.440 8.987 4.697 510 HB2 GLN 70 1HB GLN 70 10.756 11.290 4.683 511 HB3 GLN 70 2HB GLN 70 9.151 10.861 5.284 512 HG2 GLN 70 1HG GLN 70 10.195 10.119 7.398 513 HG3 GLN 70 2HG GLN 70 11.753 10.680 6.799 514 HE21 GLN 70 1HE2 GLN 70 11.922 12.144 8.480 515 HE22 GLN 70 2HE2 GLN 70 10.953 13.590 8.531 516 H GLU 71 H GLU 71 7.976 8.469 4.986 517 HA GLU 71 HA GLU 71 8.240 7.372 7.647 518 HB2 GLU 71 1HB GLU 71 5.931 7.785 5.815 519 HB3 GLU 71 2HB GLU 71 5.791 6.940 7.357 520 HG2 GLU 71 1HG GLU 71 6.783 9.757 7.040 521 HG3 GLU 71 2HG GLU 71 5.122 9.296 7.475 522 H GLN 72 H GLN 72 7.706 6.183 4.330 523 HA GLN 72 HA GLN 72 7.371 4.163 3.498 524 HB2 GLN 72 1HB GLN 72 9.710 4.284 4.286 525 HB3 GLN 72 2HB GLN 72 9.316 3.336 5.706 526 HG2 GLN 72 1HG GLN 72 8.650 1.484 4.275 527 HG3 GLN 72 2HG GLN 72 9.016 2.527 2.872 528 HE21 GLN 72 1HE2 GLN 72 11.280 3.752 3.746 529 HE22 GLN 72 2HE2 GLN 72 12.522 2.586 3.979 530 H HIS 73 H HIS 73 5.214 4.861 4.800 531 HA HIS 73 HA HIS 73 4.372 3.675 7.073 532 HD2 HIS 73 HD2 HIS 73 3.445 5.460 8.594 533 HE1 HIS 73 HE1 HIS 73 2.362 9.020 6.485 534 HE2 HIS 73 HE2 HIS 73 2.947 8.005 8.857 535 HB2 HIS 73 1HB HIS 73 3.097 4.866 4.679 536 HB3 HIS 73 2HB HIS 73 2.115 4.081 5.902 537 H ALA 74 H ALA 74 4.458 2.375 3.818 538 HA ALA 74 HA ALA 74 2.635 0.143 4.127 539 HB1 ALA 74 3HB ALA 74 5.114 0.377 2.419 540 HB2 ALA 74 1HB ALA 74 3.526 0.969 1.939 541 HB3 ALA 74 2HB ALA 74 3.782 -0.757 2.205 542 H LEU 75 H LEU 75 6.009 0.573 4.949 543 HA LEU 75 HA LEU 75 6.117 -2.164 5.627 544 HG LEU 75 HG LEU 75 8.055 -2.812 4.676 545 HB2 LEU 75 1HB LEU 75 8.108 -0.005 5.700 546 HB3 LEU 75 2HB LEU 75 8.350 -1.404 6.749 547 HD11 LEU 75 1HD1 LEU 75 8.562 -1.866 2.564 548 HD12 LEU 75 2HD1 LEU 75 8.702 -0.246 3.246 549 HD13 LEU 75 3HD1 LEU 75 7.125 -1.063 3.206 550 HD21 LEU 75 3HD2 LEU 75 10.327 -0.965 4.956 551 HD22 LEU 75 1HD2 LEU 75 10.378 -2.528 4.101 552 HD23 LEU 75 2HD2 LEU 75 10.035 -2.478 5.855 553 H LYS 76 H LYS 76 5.987 0.969 7.500 554 HA LYS 76 HA LYS 76 5.932 -0.072 9.942 555 HB2 LYS 76 1HB LYS 76 4.307 2.185 8.766 556 HB3 LYS 76 2HB LYS 76 4.435 1.839 10.502 557 HG2 LYS 76 1HG LYS 76 6.849 2.071 10.290 558 HG3 LYS 76 2HG LYS 76 6.605 2.511 8.589 559 HD2 LYS 76 1HD LYS 76 5.433 4.498 9.211 560 HD3 LYS 76 2HD LYS 76 5.381 4.000 10.919 561 HE2 LYS 76 1HE LYS 76 7.772 3.893 10.876 562 HE3 LYS 76 2HE LYS 76 7.803 4.653 9.282 563 HZ1 LYS 76 3HZ LYS 76 6.685 5.916 11.749 564 HZ2 LYS 76 1HZ LYS 76 6.704 6.649 10.231 565 HZ3 LYS 76 2HZ LYS 76 8.142 6.338 11.030 566 H HIS 77 H HIS 77 3.408 -0.224 7.490 567 HA HIS 77 HA HIS 77 1.379 -1.187 9.265 568 HD1 HIS 77 HD1 HIS 77 -1.414 -0.622 8.536 569 HD2 HIS 77 HD2 HIS 77 -0.228 -3.244 5.514 570 HE1 HIS 77 HE1 HIS 77 -3.459 -1.911 7.889 571 HB2 HIS 77 1HB HIS 77 0.885 0.017 7.204 572 HB3 HIS 77 2HB HIS 77 1.585 -1.286 6.238 573 H TYR 78 H TYR 78 3.824 -2.675 7.199 574 HA TYR 78 HA TYR 78 2.844 -5.290 7.835 575 HD1 TYR 78 HD2 TYR 78 3.450 -7.500 6.752 576 HD2 TYR 78 HD1 TYR 78 7.278 -5.815 7.557 577 HE1 TYR 78 HE2 TYR 78 4.340 -9.746 7.209 578 HE2 TYR 78 HE1 TYR 78 8.173 -8.057 8.027 579 HH TYR 78 HH TYR 78 6.437 -10.928 7.297 580 HB2 TYR 78 1HB TYR 78 4.193 -5.069 5.950 581 HB3 TYR 78 2HB TYR 78 5.547 -4.376 6.862 582 H LEU 79 H LEU 79 5.239 -3.080 9.429 583 HA LEU 79 HA LEU 79 6.069 -5.107 11.173 584 HG LEU 79 HG LEU 79 7.506 -2.879 9.233 585 HB2 LEU 79 1HB LEU 79 6.454 -2.116 11.223 586 HB3 LEU 79 2HB LEU 79 7.324 -3.296 12.204 587 HD11 LEU 79 1HD1 LEU 79 9.848 -2.388 9.688 588 HD12 LEU 79 2HD1 LEU 79 9.553 -2.586 11.414 589 HD13 LEU 79 3HD1 LEU 79 8.762 -1.281 10.528 590 HD21 LEU 79 3HD2 LEU 79 9.133 -4.718 9.206 591 HD22 LEU 79 1HD2 LEU 79 7.513 -5.223 9.694 592 HD23 LEU 79 2HD2 LEU 79 8.775 -5.033 10.914 593 H THR 80 H THR 80 3.346 -3.380 10.884 594 HA THR 80 HA THR 80 2.806 -2.762 13.612 595 HB THR 80 HB THR 80 0.922 -3.334 11.308 596 HG1 THR 80 HG1 THR 80 2.371 -1.356 11.508 597 HG21 THR 80 3HG2 THR 80 -0.862 -2.329 12.687 598 HG22 THR 80 1HG2 THR 80 0.251 -2.257 14.057 599 HG23 THR 80 2HG2 THR 80 -0.239 -3.818 13.387 600 HA PRO 81 HA PRO 81 2.250 -7.127 14.639 601 HB2 PRO 81 1HB PRO 81 1.525 -6.861 17.226 602 HB3 PRO 81 2HB PRO 81 3.211 -6.715 16.690 603 HG2 PRO 81 1HG PRO 81 1.217 -4.605 17.305 604 HG3 PRO 81 2HG PRO 81 2.960 -4.753 17.700 605 HD2 PRO 81 1HD PRO 81 1.993 -3.200 15.646 606 HD3 PRO 81 2HD PRO 81 3.617 -3.938 15.646 607 H ARG 82 H ARG 82 0.665 -8.096 14.155 608 HA ARG 82 HA ARG 82 -2.050 -7.588 14.957 609 HE ARG 82 HE ARG 82 -0.767 -4.394 10.801 610 HB2 ARG 82 1HB ARG 82 -2.932 -7.324 12.613 611 HB3 ARG 82 2HB ARG 82 -2.024 -5.940 13.231 612 HG2 ARG 82 1HG ARG 82 -0.108 -6.576 11.933 613 HG3 ARG 82 2HG ARG 82 -0.923 -8.055 11.393 614 HD2 ARG 82 1HD ARG 82 -1.024 -6.458 9.642 615 HD3 ARG 82 2HD ARG 82 -2.646 -6.600 10.327 616 HH11 ARG 82 1HH1 ARG 82 -4.107 -5.579 10.653 617 HH12 ARG 82 2HH1 ARG 82 -4.816 -4.041 10.726 618 HH21 ARG 82 1HH2 ARG 82 -1.797 -2.217 10.862 619 HH22 ARG 82 2HH2 ARG 82 -3.478 -2.106 10.830 620 H SER 83 H SER 83 -3.587 -9.215 14.144 621 HA SER 83 HA SER 83 -2.501 -11.786 14.372 622 HG SER 83 HG SER 83 -5.276 -11.579 15.973 623 HB2 SER 83 1HB SER 83 -5.258 -10.958 13.485 624 HB3 SER 83 2HB SER 83 -4.788 -12.513 14.186 625 H GLU 84 H GLU 84 -3.945 -10.137 11.527 626 HA GLU 84 HA GLU 84 -3.051 -12.321 9.840 627 HB2 GLU 84 1HB GLU 84 -4.416 -9.724 9.225 628 HB3 GLU 84 2HB GLU 84 -3.895 -10.907 8.018 629 HG2 GLU 84 1HG GLU 84 -5.897 -11.500 10.180 630 HG3 GLU 84 2HG GLU 84 -6.305 -11.056 8.521 631 HA PRO 85 HA PRO 85 0.706 -10.419 9.173 632 HB2 PRO 85 1HB PRO 85 1.422 -11.318 6.679 633 HB3 PRO 85 2HB PRO 85 1.502 -12.295 8.162 634 HG2 PRO 85 1HG PRO 85 -0.498 -12.301 5.966 635 HG3 PRO 85 2HG PRO 85 0.068 -13.638 6.994 636 HD2 PRO 85 1HD PRO 85 -2.345 -12.278 7.312 637 HD3 PRO 85 2HD PRO 85 -1.521 -13.231 8.563 638 H HIS 86 H HIS 86 -1.451 -10.053 6.366 639 HA HIS 86 HA HIS 86 -1.809 -8.310 4.871 640 HD2 HIS 86 HD2 HIS 86 -3.062 -8.788 8.026 641 HE1 HIS 86 HE1 HIS 86 -5.886 -5.789 7.119 642 HE2 HIS 86 HE2 HIS 86 -5.522 -7.965 8.331 643 HB2 HIS 86 1HB HIS 86 -0.867 -6.754 7.298 644 HB3 HIS 86 2HB HIS 86 -1.418 -5.976 5.807 645 H CYS 87 H CYS 87 0.363 -9.664 4.395 646 HA CYS 87 HA CYS 87 2.653 -7.955 4.536 647 HG CYS 87 HG CYS 87 1.576 -11.445 2.769 648 HB2 CYS 87 1HB CYS 87 3.847 -10.074 3.841 649 HB3 CYS 87 2HB CYS 87 3.115 -9.945 5.446 650 H LEU 88 H LEU 88 0.431 -8.061 2.396 651 HA LEU 88 HA LEU 88 2.113 -8.216 -0.008 652 HG LEU 88 HG LEU 88 1.253 -10.633 0.767 653 HB2 LEU 88 1HB LEU 88 -0.584 -9.344 0.519 654 HB3 LEU 88 2HB LEU 88 -0.134 -8.952 -1.124 655 HD11 LEU 88 1HD1 LEU 88 0.645 -12.534 -0.659 656 HD12 LEU 88 2HD1 LEU 88 -0.282 -11.461 -1.722 657 HD13 LEU 88 3HD1 LEU 88 -0.832 -11.766 -0.050 658 HD21 LEU 88 3HD2 LEU 88 2.892 -9.903 -0.698 659 HD22 LEU 88 1HD2 LEU 88 1.839 -10.126 -2.102 660 HD23 LEU 88 2HD2 LEU 88 2.473 -11.526 -1.256 661 H VAL 89 H VAL 89 2.462 -6.710 -0.913 662 HA VAL 89 HA VAL 89 0.339 -4.735 -1.088 663 HB VAL 89 HB VAL 89 1.980 -2.921 -0.938 664 HG11 VAL 89 1HG1 VAL 89 1.932 -4.704 1.465 665 HG12 VAL 89 2HG1 VAL 89 0.787 -3.401 1.085 666 HG13 VAL 89 3HG1 VAL 89 2.472 -3.030 1.480 667 HG21 VAL 89 3HG2 VAL 89 3.928 -5.030 -0.061 668 HG22 VAL 89 1HG2 VAL 89 4.242 -3.288 -0.146 669 HG23 VAL 89 2HG2 VAL 89 3.902 -4.220 -1.622 670 H LEU 90 H LEU 90 0.205 -3.848 -3.044 671 HA LEU 90 HA LEU 90 2.165 -4.767 -4.987 672 HG LEU 90 HG LEU 90 -0.968 -2.899 -4.896 673 HB2 LEU 90 1HB LEU 90 0.504 -4.698 -6.668 674 HB3 LEU 90 2HB LEU 90 -0.298 -5.365 -5.257 675 HD11 LEU 90 1HD1 LEU 90 0.252 -1.999 -6.753 676 HD12 LEU 90 2HD1 LEU 90 -1.484 -1.801 -7.092 677 HD13 LEU 90 3HD1 LEU 90 -0.549 -3.112 -7.843 678 HD21 LEU 90 3HD2 LEU 90 -2.309 -4.752 -6.856 679 HD22 LEU 90 1HD2 LEU 90 -3.065 -3.314 -6.165 680 HD23 LEU 90 2HD2 LEU 90 -2.581 -4.634 -5.113 681 H SER 91 H SER 91 2.979 -3.230 -6.451 682 HA SER 91 HA SER 91 3.207 -0.588 -5.303 683 HG SER 91 HG SER 91 3.542 -1.848 -8.297 684 HB2 SER 91 1HB SER 91 5.104 -0.376 -6.757 685 HB3 SER 91 2HB SER 91 5.076 -2.080 -6.262 686 H LEU 92 H LEU 92 2.174 1.151 -6.141 687 HA LEU 92 HA LEU 92 0.485 0.888 -8.495 688 HG LEU 92 HG LEU 92 -0.581 1.050 -5.894 689 HB2 LEU 92 1HB LEU 92 0.970 3.017 -6.444 690 HB3 LEU 92 2HB LEU 92 -0.058 3.276 -7.856 691 HD11 LEU 92 1HD1 LEU 92 -2.180 2.508 -4.878 692 HD12 LEU 92 2HD1 LEU 92 -1.736 3.809 -5.980 693 HD13 LEU 92 3HD1 LEU 92 -0.582 3.246 -4.766 694 HD21 LEU 92 3HD2 LEU 92 -2.272 2.596 -7.761 695 HD22 LEU 92 1HD2 LEU 92 -2.766 1.176 -6.830 696 HD23 LEU 92 2HD2 LEU 92 -1.585 1.001 -8.157 697 H ASP 93 H ASP 93 3.456 0.968 -8.391 698 HA ASP 93 HA ASP 93 3.979 3.295 -10.090 699 HB2 ASP 93 1HB ASP 93 5.851 1.677 -8.337 700 HB3 ASP 93 2HB ASP 93 6.380 2.944 -9.448 701 H ASN 94 H ASN 94 5.222 -0.011 -9.579 702 HA ASN 94 HA ASN 94 5.604 -0.211 -12.505 703 HB2 ASN 94 1HB ASN 94 7.697 -0.441 -11.166 704 HB3 ASN 94 2HB ASN 94 6.964 -1.788 -10.281 705 HD21 ASN 94 1HD2 ASN 94 7.045 -3.789 -11.219 706 HD22 ASN 94 2HD2 ASN 94 7.861 -4.047 -12.736 707 H TRP 95 H TRP 95 3.554 -1.047 -10.163 708 HA TRP 95 HA TRP 95 2.008 -2.581 -9.737 709 HD1 TRP 95 HD1 TRP 95 1.875 -0.605 -13.457 710 HE1 TRP 95 HE1 TRP 95 -0.053 1.053 -13.158 711 HE3 TRP 95 HE3 TRP 95 -0.856 -3.138 -9.968 712 HZ2 TRP 95 HZ2 TRP 95 -2.417 1.288 -11.626 713 HZ3 TRP 95 HZ3 TRP 95 -2.934 -2.116 -9.129 714 HH2 TRP 95 HH2 TRP 95 -3.689 0.046 -9.941 715 HB2 TRP 95 1HB TRP 95 2.255 -3.090 -12.708 716 HB3 TRP 95 2HB TRP 95 1.015 -3.840 -11.701 717 H SER 96 H SER 96 4.463 -3.363 -8.865 718 HA SER 96 HA SER 96 4.571 -6.194 -9.524 719 HG SER 96 HG SER 96 7.804 -5.013 -9.508 720 HB2 SER 96 1HB SER 96 6.276 -4.646 -7.613 721 HB3 SER 96 2HB SER 96 6.565 -6.242 -8.290 722 H VAL 97 H VAL 97 4.875 -7.531 -7.521 723 HA VAL 97 HA VAL 97 3.194 -6.504 -5.384 724 HB VAL 97 HB VAL 97 3.486 -9.299 -6.517 725 HG11 VAL 97 1HG1 VAL 97 3.578 -9.350 -4.125 726 HG12 VAL 97 2HG1 VAL 97 2.042 -10.020 -4.764 727 HG13 VAL 97 3HG1 VAL 97 2.095 -8.379 -4.049 728 HG21 VAL 97 3HG2 VAL 97 1.883 -7.735 -7.521 729 HG22 VAL 97 1HG2 VAL 97 1.061 -7.670 -5.956 730 HG23 VAL 97 2HG2 VAL 97 1.222 -9.225 -6.805 731 H TRP 98 H TRP 98 3.973 -6.835 -3.348 732 HA TRP 98 HA TRP 98 6.616 -8.045 -3.174 733 HD1 TRP 98 HD1 TRP 98 7.088 -6.575 0.615 734 HE1 TRP 98 HE1 TRP 98 9.533 -7.162 1.026 735 HE3 TRP 98 HE3 TRP 98 8.777 -6.316 -4.193 736 HZ2 TRP 98 HZ2 TRP 98 11.850 -7.474 -0.463 737 HZ3 TRP 98 HZ3 TRP 98 11.127 -6.764 -4.641 738 HH2 TRP 98 HH2 TRP 98 12.678 -7.328 -2.809 739 HB2 TRP 98 1HB TRP 98 6.608 -5.428 -2.938 740 HB3 TRP 98 2HB TRP 98 5.756 -5.757 -1.430 741 H CYS 99 H CYS 99 6.822 -9.589 -1.570 742 HA CYS 99 HA CYS 99 4.594 -9.656 0.305 743 HB2 CYS 99 1HB CYS 99 4.429 -11.570 -1.171 744 HB3 CYS 99 2HB CYS 99 6.103 -12.047 -0.916 745 H TYR 100 H TYR 100 5.297 -8.998 2.098 746 HA TYR 100 HA TYR 100 8.062 -8.502 2.545 747 HD1 TYR 100 HD1 TYR 100 8.146 -5.806 3.427 748 HD2 TYR 100 HD2 TYR 100 4.188 -7.310 3.711 749 HE1 TYR 100 HE1 TYR 100 7.303 -3.640 2.757 750 HE2 TYR 100 HE2 TYR 100 3.312 -5.094 3.015 751 HH TYR 100 HH TYR 100 4.056 -2.801 3.059 752 HB2 TYR 100 1HB TYR 100 5.840 -8.541 4.565 753 HB3 TYR 100 2HB TYR 100 7.459 -7.896 4.808 754 H VAL 101 H VAL 101 6.003 -11.100 3.320 755 HA VAL 101 HA VAL 101 7.817 -12.132 5.333 756 HB VAL 101 HB VAL 101 5.412 -12.257 5.739 757 HG11 VAL 101 1HG1 VAL 101 5.378 -14.056 3.384 758 HG12 VAL 101 2HG1 VAL 101 4.747 -12.437 3.468 759 HG13 VAL 101 3HG1 VAL 101 3.984 -13.733 4.434 760 HG21 VAL 101 3HG2 VAL 101 6.615 -14.996 5.393 761 HG22 VAL 101 1HG2 VAL 101 5.206 -14.603 6.377 762 HG23 VAL 101 2HG2 VAL 101 6.788 -13.948 6.805 763 H CYS 102 H CYS 102 7.238 -12.487 1.959 764 HA CYS 102 HA CYS 102 8.820 -14.918 1.776 765 HB2 CYS 102 1HB CYS 102 7.404 -13.134 -0.132 766 HB3 CYS 102 2HB CYS 102 8.774 -14.065 -0.733 767 H ASP 103 H ASP 103 8.893 -11.559 1.623 768 HA ASP 103 HA ASP 103 10.371 -9.944 1.425 769 HB2 ASP 103 1HB ASP 103 11.401 -11.084 3.352 770 HB3 ASP 103 2HB ASP 103 12.459 -11.989 2.256 771 H ASN 104 H ASN 104 9.594 -10.762 -0.918 772 HA ASN 104 HA ASN 104 11.777 -10.083 -2.507 773 HB2 ASN 104 1HB ASN 104 11.725 -12.009 -3.927 774 HB3 ASN 104 2HB ASN 104 11.924 -12.549 -2.234 775 HD21 ASN 104 1HD2 ASN 104 9.730 -12.190 -4.811 776 HD22 ASN 104 2HD2 ASN 104 8.439 -13.100 -4.185 777 H GLU 105 H GLU 105 10.736 -10.233 -4.883 778 HA GLU 105 HA GLU 105 8.268 -8.783 -4.848 779 HB2 GLU 105 1HB GLU 105 10.260 -8.230 -6.031 780 HB3 GLU 105 2HB GLU 105 10.025 -9.606 -7.103 781 HG2 GLU 105 1HG GLU 105 7.971 -8.825 -7.877 782 HG3 GLU 105 2HG GLU 105 7.966 -7.507 -6.702 783 H VAL 106 H VAL 106 6.340 -9.762 -5.604 784 HA VAL 106 HA VAL 106 6.521 -12.622 -6.179 785 HB VAL 106 HB VAL 106 3.977 -11.128 -5.446 786 HG11 VAL 106 1HG1 VAL 106 4.707 -14.061 -5.309 787 HG12 VAL 106 2HG1 VAL 106 3.654 -13.317 -6.512 788 HG13 VAL 106 3HG1 VAL 106 3.166 -13.351 -4.818 789 HG21 VAL 106 3HG2 VAL 106 5.621 -10.873 -3.663 790 HG22 VAL 106 1HG2 VAL 106 5.891 -12.618 -3.683 791 HG23 VAL 106 2HG2 VAL 106 4.320 -11.979 -3.190 792 H GLN 107 H GLN 107 5.311 -13.585 -7.801 793 HA GLN 107 HA GLN 107 4.570 -11.958 -10.017 794 HB2 GLN 107 1HB GLN 107 5.367 -13.916 -11.390 795 HB3 GLN 107 2HB GLN 107 6.667 -13.024 -10.590 796 HG2 GLN 107 1HG GLN 107 5.485 -15.505 -9.383 797 HG3 GLN 107 2HG GLN 107 6.742 -15.611 -10.606 798 HE21 GLN 107 1HE2 GLN 107 6.696 -16.351 -7.748 799 HE22 GLN 107 2HE2 GLN 107 8.061 -15.525 -7.046 800 H TYR 108 H TYR 108 3.020 -12.953 -11.130 801 HA TYR 108 HA TYR 108 1.326 -15.032 -9.932 802 HD1 TYR 108 HD1 TYR 108 -0.523 -11.721 -11.917 803 HD2 TYR 108 HD2 TYR 108 1.769 -11.367 -8.375 804 HE1 TYR 108 HE1 TYR 108 -0.116 -9.379 -12.436 805 HE2 TYR 108 HE2 TYR 108 2.206 -9.080 -8.827 806 HH TYR 108 HH TYR 108 2.239 -7.539 -10.712 807 HB2 TYR 108 1HB TYR 108 -0.646 -13.393 -10.106 808 HB3 TYR 108 2HB TYR 108 0.441 -13.270 -8.715 809 H CYS 109 H CYS 109 -0.624 -15.404 -11.249 810 HA CYS 109 HA CYS 109 -0.221 -14.771 -14.059 811 HG CYS 109 HG CYS 109 -0.166 -19.134 -12.535 812 HB2 CYS 109 1HB CYS 109 -0.758 -17.131 -14.640 813 HB3 CYS 109 2HB CYS 109 0.742 -16.992 -13.706 814 H SER 110 H SER 110 -2.358 -15.939 -15.187 815 HA SER 110 HA SER 110 -4.467 -14.304 -14.315 816 HG SER 110 HG SER 110 -3.283 -16.269 -17.258 817 HB2 SER 110 1HB SER 110 -5.662 -15.580 -16.195 818 HB3 SER 110 2HB SER 110 -4.266 -14.580 -16.611 819 H SER 111 H SER 111 -3.733 -17.659 -13.626 820 HA SER 111 HA SER 111 -6.452 -18.071 -12.645 821 HG SER 111 HG SER 111 -3.608 -20.814 -12.579 822 HB2 SER 111 1HB SER 111 -5.626 -20.405 -12.299 823 HB3 SER 111 2HB SER 111 -5.582 -19.849 -13.985 824 H ASN 112 H ASN 112 -3.623 -16.890 -11.519 825 HA ASN 112 HA ASN 112 -3.860 -17.974 -8.831 826 HB2 ASN 112 1HB ASN 112 -1.612 -17.746 -9.790 827 HB3 ASN 112 2HB ASN 112 -1.901 -16.021 -10.057 828 HD21 ASN 112 1HD2 ASN 112 -1.193 -18.481 -7.714 829 HD22 ASN 112 2HD2 ASN 112 -0.748 -17.372 -6.449 830 H GLN 113 H GLN 113 -4.752 -16.851 -7.197 831 HA GLN 113 HA GLN 113 -6.679 -14.889 -7.731 832 HB2 GLN 113 1HB GLN 113 -6.636 -16.409 -5.738 833 HB3 GLN 113 2HB GLN 113 -5.341 -15.406 -5.071 834 HG2 GLN 113 1HG GLN 113 -7.043 -13.472 -5.371 835 HG3 GLN 113 2HG GLN 113 -8.242 -14.769 -5.441 836 HE21 GLN 113 1HE2 GLN 113 -5.352 -14.644 -3.459 837 HE22 GLN 113 2HE2 GLN 113 -6.208 -14.547 -1.950 838 H LEU 114 H LEU 114 -3.231 -14.478 -6.847 839 HA LEU 114 HA LEU 114 -3.419 -11.783 -6.001 840 HG LEU 114 HG LEU 114 -0.564 -11.218 -7.186 841 HB2 LEU 114 1HB LEU 114 -1.658 -13.278 -5.330 842 HB3 LEU 114 2HB LEU 114 -1.226 -13.561 -7.016 843 HD11 LEU 114 1HD1 LEU 114 -0.280 -9.910 -5.150 844 HD12 LEU 114 2HD1 LEU 114 -1.084 -11.189 -4.226 845 HD13 LEU 114 3HD1 LEU 114 -1.970 -10.296 -5.469 846 HD21 LEU 114 3HD2 LEU 114 1.004 -12.978 -6.712 847 HD22 LEU 114 1HD2 LEU 114 0.766 -12.754 -4.983 848 HD23 LEU 114 2HD2 LEU 114 1.493 -11.466 -5.965 849 H GLY 115 H GLY 115 -2.879 -13.422 -9.010 850 HA2 GLY 115 1HA GLY 115 -2.267 -11.025 -10.459 851 HA3 GLY 115 2HA GLY 115 -2.748 -12.555 -11.197 852 H GLN 116 H GLN 116 -5.254 -12.991 -9.991 853 HA GLN 116 HA GLN 116 -6.923 -11.547 -11.554 854 HB2 GLN 116 1HB GLN 116 -7.515 -12.882 -8.922 855 HB3 GLN 116 2HB GLN 116 -8.674 -12.565 -10.213 856 HG2 GLN 116 1HG GLN 116 -6.991 -14.006 -11.601 857 HG3 GLN 116 2HG GLN 116 -6.501 -14.560 -10.015 858 HE21 GLN 116 1HE2 GLN 116 -7.784 -15.884 -8.842 859 HE22 GLN 116 2HE2 GLN 116 -9.245 -16.587 -9.458 860 H VAL 117 H VAL 117 -5.842 -10.934 -8.262 861 HA VAL 117 HA VAL 117 -7.831 -8.984 -8.063 862 HB VAL 117 HB VAL 117 -5.965 -10.088 -6.034 863 HG11 VAL 117 1HG1 VAL 117 -6.420 -8.282 -4.444 864 HG12 VAL 117 2HG1 VAL 117 -7.365 -7.431 -5.680 865 HG13 VAL 117 3HG1 VAL 117 -5.624 -7.628 -5.891 866 HG21 VAL 117 3HG2 VAL 117 -8.828 -9.414 -6.342 867 HG22 VAL 117 1HG2 VAL 117 -8.149 -9.895 -4.784 868 HG23 VAL 117 2HG2 VAL 117 -8.045 -10.995 -6.180 869 H VAL 118 H VAL 118 -4.255 -8.972 -8.298 870 HA VAL 118 HA VAL 118 -3.893 -6.260 -8.399 871 HB VAL 118 HB VAL 118 -2.541 -8.431 -9.999 872 HG11 VAL 118 1HG1 VAL 118 -1.698 -5.517 -9.731 873 HG12 VAL 118 2HG1 VAL 118 -2.274 -6.279 -11.211 874 HG13 VAL 118 3HG1 VAL 118 -0.736 -6.780 -10.502 875 HG21 VAL 118 3HG2 VAL 118 -2.164 -8.505 -7.591 876 HG22 VAL 118 1HG2 VAL 118 -1.653 -6.810 -7.640 877 HG23 VAL 118 2HG2 VAL 118 -0.685 -8.037 -8.456 878 H ASP 119 H ASP 119 -5.181 -8.376 -10.872 879 HA ASP 119 HA ASP 119 -5.165 -6.432 -12.958 880 HB2 ASP 119 1HB ASP 119 -5.399 -8.845 -13.473 881 HB3 ASP 119 2HB ASP 119 -6.882 -8.875 -12.522 882 H TYR 120 H TYR 120 -7.424 -7.469 -10.560 883 HA TYR 120 HA TYR 120 -9.614 -5.847 -11.384 884 HD1 TYR 120 HD2 TYR 120 -12.153 -5.708 -9.804 885 HD2 TYR 120 HD1 TYR 120 -9.140 -6.475 -6.912 886 HE1 TYR 120 HE2 TYR 120 -13.439 -4.468 -8.110 887 HE2 TYR 120 HE1 TYR 120 -10.392 -5.278 -5.239 888 HH TYR 120 HH TYR 120 -12.076 -3.518 -5.144 889 HB2 TYR 120 1HB TYR 120 -10.383 -7.585 -10.006 890 HB3 TYR 120 2HB TYR 120 -8.978 -7.466 -8.934 891 H VAL 121 H VAL 121 -7.087 -5.378 -8.969 892 HA VAL 121 HA VAL 121 -8.124 -2.887 -8.041 893 HB VAL 121 HB VAL 121 -5.365 -4.145 -7.734 894 HG11 VAL 121 1HG1 VAL 121 -6.629 -1.894 -6.205 895 HG12 VAL 121 2HG1 VAL 121 -5.291 -1.756 -7.347 896 HG13 VAL 121 3HG1 VAL 121 -5.085 -2.654 -5.837 897 HG21 VAL 121 3HG2 VAL 121 -7.755 -4.176 -5.922 898 HG22 VAL 121 1HG2 VAL 121 -6.140 -4.742 -5.470 899 HG23 VAL 121 2HG2 VAL 121 -7.033 -5.541 -6.767 900 H ARG 122 H ARG 122 -5.967 -3.886 -10.520 901 HA ARG 122 HA ARG 122 -5.021 -1.299 -11.071 902 HE ARG 122 HE ARG 122 -4.015 -4.351 -14.702 903 HB2 ARG 122 1HB ARG 122 -3.910 -3.393 -11.746 904 HB3 ARG 122 2HB ARG 122 -5.242 -3.669 -12.871 905 HG2 ARG 122 1HG ARG 122 -4.599 -1.936 -14.243 906 HG3 ARG 122 2HG ARG 122 -3.637 -1.191 -12.962 907 HD2 ARG 122 1HD ARG 122 -2.223 -2.384 -14.701 908 HD3 ARG 122 2HD ARG 122 -2.044 -3.031 -13.066 909 HH11 ARG 122 1HH1 ARG 122 -0.597 -4.306 -13.826 910 HH12 ARG 122 2HH1 ARG 122 -0.376 -5.994 -13.895 911 HH21 ARG 122 1HH2 ARG 122 -3.740 -6.702 -14.829 912 HH22 ARG 122 2HH2 ARG 122 -2.262 -7.409 -14.431 913 H LYS 123 H LYS 123 -7.887 -3.199 -12.139 914 HA LYS 123 HA LYS 123 -8.853 -1.275 -13.935 915 HB2 LYS 123 1HB LYS 123 -10.241 -3.316 -12.194 916 HB3 LYS 123 2HB LYS 123 -11.021 -2.398 -13.458 917 HG2 LYS 123 1HG LYS 123 -8.709 -4.202 -14.036 918 HG3 LYS 123 2HG LYS 123 -10.353 -4.838 -13.895 919 HD2 LYS 123 1HD LYS 123 -10.179 -4.480 -16.160 920 HD3 LYS 123 2HD LYS 123 -10.919 -2.981 -15.607 921 HE2 LYS 123 1HE LYS 123 -8.619 -1.932 -15.633 922 HE3 LYS 123 2HE LYS 123 -8.023 -3.439 -16.309 923 HZ1 LYS 123 3HZ LYS 123 -9.542 -3.110 -18.186 924 HZ2 LYS 123 1HZ LYS 123 -8.416 -1.846 -18.016 925 HZ3 LYS 123 2HZ LYS 123 -10.000 -1.622 -17.515 926 H GLN 124 H GLN 124 -8.723 -1.505 -10.505 927 HA GLN 124 HA GLN 124 -10.944 0.175 -10.019 928 HB2 GLN 124 1HB GLN 124 -8.688 -0.490 -8.154 929 HB3 GLN 124 2HB GLN 124 -10.055 0.520 -7.691 930 HG2 GLN 124 1HG GLN 124 -9.905 -2.435 -7.992 931 HG3 GLN 124 2HG GLN 124 -10.848 -1.363 -6.946 932 HE21 GLN 124 1HE2 GLN 124 -10.623 -2.892 -9.923 933 HE22 GLN 124 2HE2 GLN 124 -12.265 -2.714 -10.393 934 H ALA 125 H ALA 125 -7.513 0.553 -9.902 935 HA ALA 125 HA ALA 125 -7.509 3.378 -9.348 936 HB1 ALA 125 3HB ALA 125 -5.205 1.585 -10.075 937 HB2 ALA 125 1HB ALA 125 -5.896 1.793 -8.455 938 HB3 ALA 125 2HB ALA 125 -5.163 3.175 -9.265 939 H SER 126 H SER 126 -7.013 1.407 -12.207 940 HA SER 126 HA SER 126 -6.110 3.116 -14.076 941 HG SER 126 HG SER 126 -6.528 2.388 -16.234 942 HB2 SER 126 1HB SER 126 -6.927 0.769 -14.503 943 HB3 SER 126 2HB SER 126 -8.567 1.399 -14.542 Start of MODEL 2 1 HA PRO 5 HA PRO 5 9.971 -20.114 -3.620 2 HB2 PRO 5 1HB PRO 5 10.570 -17.601 -4.398 3 HB3 PRO 5 2HB PRO 5 11.613 -18.549 -3.316 4 HG2 PRO 5 1HG PRO 5 11.851 -18.172 -6.292 5 HG3 PRO 5 2HG PRO 5 13.146 -18.127 -5.059 6 HD2 PRO 5 1HD PRO 5 12.625 -20.188 -6.633 7 HD3 PRO 5 2HD PRO 5 13.160 -20.469 -4.940 8 H VAL 6 H VAL 6 8.172 -19.116 -3.691 9 HA VAL 6 HA VAL 6 6.871 -17.910 -5.883 10 HB VAL 6 HB VAL 6 6.915 -20.352 -6.603 11 HG11 VAL 6 1HG1 VAL 6 6.702 -21.448 -4.463 12 HG12 VAL 6 2HG1 VAL 6 5.379 -21.943 -5.524 13 HG13 VAL 6 3HG1 VAL 6 5.093 -20.763 -4.244 14 HG21 VAL 6 3HG2 VAL 6 5.272 -18.838 -7.482 15 HG22 VAL 6 1HG2 VAL 6 4.230 -19.136 -6.092 16 HG23 VAL 6 2HG2 VAL 6 4.547 -20.441 -7.251 17 H CYS 7 H CYS 7 4.639 -17.318 -5.148 18 HA CYS 7 HA CYS 7 4.679 -17.460 -2.290 19 HB2 CYS 7 1HB CYS 7 4.557 -15.165 -3.298 20 HB3 CYS 7 2HB CYS 7 2.955 -15.601 -3.893 21 H ARG 8 H ARG 8 3.222 -18.553 -1.231 22 HA ARG 8 HA ARG 8 0.845 -19.251 -2.666 23 HE ARG 8 HE ARG 8 4.617 -21.470 0.991 24 HB2 ARG 8 1HB ARG 8 0.750 -21.476 -1.412 25 HB3 ARG 8 2HB ARG 8 2.063 -21.333 -2.585 26 HG2 ARG 8 1HG ARG 8 2.496 -20.657 0.259 27 HG3 ARG 8 2HG ARG 8 2.498 -22.360 -0.233 28 HD2 ARG 8 1HD ARG 8 4.335 -21.907 -1.754 29 HD3 ARG 8 2HD ARG 8 4.236 -20.182 -1.416 30 HH11 ARG 8 1HH1 ARG 8 6.425 -21.069 -2.011 31 HH12 ARG 8 2HH1 ARG 8 7.954 -21.223 -1.291 32 HH21 ARG 8 1HH2 ARG 8 6.703 -21.624 2.011 33 HH22 ARG 8 2HH2 ARG 8 8.119 -21.486 1.100 34 H HIS 9 H HIS 9 1.796 -17.304 -0.754 35 HA HIS 9 HA HIS 9 0.053 -17.493 1.704 36 HD2 HIS 9 HD2 HIS 9 2.200 -18.072 3.669 37 HE1 HIS 9 HE1 HIS 9 6.058 -16.912 2.354 38 HE2 HIS 9 HE2 HIS 9 4.764 -18.365 3.997 39 HB2 HIS 9 1HB HIS 9 1.996 -15.329 0.836 40 HB3 HIS 9 2HB HIS 9 1.185 -15.474 2.391 41 H ILE 10 H ILE 10 -0.923 -17.349 -0.983 42 HA ILE 10 HA ILE 10 -1.192 -14.778 -1.824 43 HB ILE 10 HB ILE 10 -2.783 -17.222 -2.607 44 HG12 ILE 10 1HG1 ILE 10 -0.332 -17.386 -2.987 45 HG13 ILE 10 2HG1 ILE 10 -1.197 -17.266 -4.537 46 HG21 ILE 10 1HG2 ILE 10 -3.344 -16.020 -4.682 47 HG22 ILE 10 2HG2 ILE 10 -2.618 -14.556 -4.014 48 HG23 ILE 10 3HG2 ILE 10 -4.050 -15.253 -3.258 49 HD11 ILE 10 3HD1 ILE 10 0.302 -15.184 -3.032 50 HD12 ILE 10 1HD1 ILE 10 -0.559 -14.886 -4.552 51 HD13 ILE 10 2HD1 ILE 10 0.821 -16.011 -4.502 52 H ARG 11 H ARG 11 -3.348 -16.995 -0.287 53 HA ARG 11 HA ARG 11 -5.642 -15.240 -0.010 54 HE ARG 11 HE ARG 11 -8.403 -18.767 0.506 55 HB2 ARG 11 1HB ARG 11 -4.976 -17.805 1.387 56 HB3 ARG 11 2HB ARG 11 -6.543 -17.018 1.378 57 HG2 ARG 11 1HG ARG 11 -6.808 -17.407 -0.972 58 HG3 ARG 11 2HG ARG 11 -5.148 -18.019 -1.091 59 HD2 ARG 11 1HD ARG 11 -6.795 -19.838 -1.048 60 HD3 ARG 11 2HD ARG 11 -5.695 -19.884 0.327 61 HH11 ARG 11 1HH1 ARG 11 -5.844 -20.848 1.806 62 HH12 ARG 11 2HH1 ARG 11 -6.769 -21.360 3.143 63 HH21 ARG 11 1HH2 ARG 11 -9.631 -19.471 2.364 64 HH22 ARG 11 2HH2 ARG 11 -8.926 -20.538 3.498 65 H LYS 12 H LYS 12 -2.870 -16.064 1.846 66 HA LYS 12 HA LYS 12 -3.782 -15.136 4.372 67 HB2 LYS 12 1HB LYS 12 -0.960 -15.538 3.375 68 HB3 LYS 12 2HB LYS 12 -1.412 -15.284 5.055 69 HG2 LYS 12 1HG LYS 12 -2.659 -17.369 5.050 70 HG3 LYS 12 2HG LYS 12 -2.267 -17.602 3.338 71 HD2 LYS 12 1HD LYS 12 0.116 -17.673 3.924 72 HD3 LYS 12 2HD LYS 12 -0.307 -17.487 5.627 73 HE2 LYS 12 1HE LYS 12 -1.559 -19.593 5.550 74 HE3 LYS 12 2HE LYS 12 -1.163 -19.764 3.843 75 HZ1 LYS 12 3HZ LYS 12 0.315 -21.097 5.219 76 HZ2 LYS 12 1HZ LYS 12 0.806 -19.726 6.070 77 HZ3 LYS 12 2HZ LYS 12 1.175 -19.882 4.447 78 H GLY 13 H GLY 13 -2.305 -13.715 1.618 79 HA2 GLY 13 1HA GLY 13 -1.837 -11.165 3.034 80 HA3 GLY 13 2HA GLY 13 -0.953 -11.730 1.634 81 H LEU 14 H LEU 14 -3.928 -12.630 0.819 82 HA LEU 14 HA LEU 14 -4.724 -9.973 -0.096 83 HG LEU 14 HG LEU 14 -4.836 -9.604 -2.531 84 HB2 LEU 14 1HB LEU 14 -3.394 -11.476 -1.719 85 HB3 LEU 14 2HB LEU 14 -4.853 -12.456 -1.733 86 HD11 LEU 14 1HD1 LEU 14 -4.598 -10.429 -4.818 87 HD12 LEU 14 2HD1 LEU 14 -4.513 -12.082 -4.183 88 HD13 LEU 14 3HD1 LEU 14 -3.232 -10.931 -3.815 89 HD21 LEU 14 3HD2 LEU 14 -6.698 -11.899 -3.091 90 HD22 LEU 14 1HD2 LEU 14 -6.734 -10.319 -3.862 91 HD23 LEU 14 2HD2 LEU 14 -7.041 -10.454 -2.119 92 H GLU 15 H GLU 15 -6.806 -9.640 0.351 93 HA GLU 15 HA GLU 15 -8.457 -11.993 0.735 94 HB2 GLU 15 1HB GLU 15 -7.685 -10.821 2.911 95 HB3 GLU 15 2HB GLU 15 -8.832 -9.562 2.453 96 HG2 GLU 15 1HG GLU 15 -9.438 -12.432 2.972 97 HG3 GLU 15 2HG GLU 15 -9.667 -11.078 4.078 98 H GLN 16 H GLN 16 -9.608 -11.759 -1.136 99 HA GLN 16 HA GLN 16 -9.964 -9.478 -2.560 100 HB2 GLN 16 1HB GLN 16 -11.769 -11.878 -2.714 101 HB3 GLN 16 2HB GLN 16 -11.647 -10.562 -3.875 102 HG2 GLN 16 1HG GLN 16 -9.270 -11.163 -4.257 103 HG3 GLN 16 2HG GLN 16 -9.509 -12.525 -3.165 104 HE21 GLN 16 1HE2 GLN 16 -8.943 -12.318 -6.099 105 HE22 GLN 16 2HE2 GLN 16 -10.153 -13.315 -6.850 106 H GLY 17 H GLY 17 -12.150 -10.937 -0.212 107 HA2 GLY 17 1HA GLY 17 -14.566 -9.696 -0.851 108 HA3 GLY 17 2HA GLY 17 -14.141 -10.373 0.723 109 H ASN 18 H ASN 18 -12.213 -8.755 1.617 110 HA ASN 18 HA ASN 18 -13.761 -6.401 2.211 111 HB2 ASN 18 1HB ASN 18 -12.355 -6.069 4.081 112 HB3 ASN 18 2HB ASN 18 -12.132 -7.792 3.790 113 HD21 ASN 18 1HD2 ASN 18 -10.364 -8.473 2.815 114 HD22 ASN 18 2HD2 ASN 18 -8.869 -7.575 2.840 115 H LEU 19 H LEU 19 -11.134 -7.185 0.112 116 HA LEU 19 HA LEU 19 -9.955 -4.710 -0.449 117 HG LEU 19 HG LEU 19 -8.323 -7.612 -2.064 118 HB2 LEU 19 1HB LEU 19 -10.465 -7.146 -2.086 119 HB3 LEU 19 2HB LEU 19 -9.924 -5.677 -2.886 120 HD11 LEU 19 1HD1 LEU 19 -7.730 -4.656 -2.036 121 HD12 LEU 19 2HD1 LEU 19 -7.599 -5.781 -3.413 122 HD13 LEU 19 3HD1 LEU 19 -6.507 -5.933 -2.017 123 HD21 LEU 19 3HD2 LEU 19 -8.275 -5.636 0.194 124 HD22 LEU 19 1HD2 LEU 19 -7.128 -6.951 -0.076 125 HD23 LEU 19 2HD2 LEU 19 -8.818 -7.321 0.277 126 H LYS 20 H LYS 20 -12.916 -6.118 -1.899 127 HA LYS 20 HA LYS 20 -13.530 -4.034 -3.711 128 HB2 LYS 20 1HB LYS 20 -15.524 -5.564 -2.056 129 HB3 LYS 20 2HB LYS 20 -15.696 -5.004 -3.708 130 HG2 LYS 20 1HG LYS 20 -13.862 -7.269 -2.883 131 HG3 LYS 20 2HG LYS 20 -15.529 -7.470 -3.448 132 HD2 LYS 20 1HD LYS 20 -13.382 -6.120 -4.963 133 HD3 LYS 20 2HD LYS 20 -13.705 -7.858 -5.100 134 HE2 LYS 20 1HE LYS 20 -16.075 -7.285 -5.714 135 HE3 LYS 20 2HE LYS 20 -15.591 -5.579 -5.805 136 HZ1 LYS 20 3HZ LYS 20 -14.554 -7.826 -7.438 137 HZ2 LYS 20 1HZ LYS 20 -14.096 -6.219 -7.613 138 HZ3 LYS 20 2HZ LYS 20 -15.673 -6.691 -7.947 139 H LYS 21 H LYS 21 -14.073 -4.294 -0.223 140 HA LYS 21 HA LYS 21 -15.939 -2.080 -0.257 141 HB2 LYS 21 1HB LYS 21 -14.636 -3.526 2.035 142 HB3 LYS 21 2HB LYS 21 -16.067 -2.500 2.083 143 HG2 LYS 21 1HG LYS 21 -17.358 -4.045 0.914 144 HG3 LYS 21 2HG LYS 21 -15.932 -4.979 0.441 145 HD2 LYS 21 1HD LYS 21 -17.009 -6.209 2.129 146 HD3 LYS 21 2HD LYS 21 -15.557 -5.448 2.778 147 HE2 LYS 21 1HE LYS 21 -18.312 -4.229 3.161 148 HE3 LYS 21 2HE LYS 21 -17.689 -5.432 4.273 149 HZ1 LYS 21 3HZ LYS 21 -15.867 -3.927 4.813 150 HZ2 LYS 21 1HZ LYS 21 -17.352 -3.224 5.096 151 HZ3 LYS 21 2HZ LYS 21 -16.468 -2.739 3.767 152 H ALA 22 H ALA 22 -12.589 -2.712 0.135 153 HA ALA 22 HA ALA 22 -12.020 -0.368 1.683 154 HB1 ALA 22 3HB ALA 22 -9.740 -1.182 1.584 155 HB2 ALA 22 1HB ALA 22 -10.202 -2.380 0.376 156 HB3 ALA 22 2HB ALA 22 -10.831 -2.507 2.000 157 H LEU 23 H LEU 23 -11.966 -1.371 -1.692 158 HA LEU 23 HA LEU 23 -10.466 1.011 -2.416 159 HG LEU 23 HG LEU 23 -10.333 -2.394 -2.945 160 HB2 LEU 23 1HB LEU 23 -11.571 -1.014 -4.324 161 HB3 LEU 23 2HB LEU 23 -10.226 0.099 -4.559 162 HD11 LEU 23 1HD1 LEU 23 -8.525 -3.133 -4.355 163 HD12 LEU 23 2HD1 LEU 23 -8.704 -1.664 -5.322 164 HD13 LEU 23 3HD1 LEU 23 -10.028 -2.826 -5.218 165 HD21 LEU 23 3HD2 LEU 23 -7.974 -0.513 -3.055 166 HD22 LEU 23 1HD2 LEU 23 -8.037 -2.086 -2.245 167 HD23 LEU 23 2HD2 LEU 23 -9.049 -0.777 -1.658 168 H VAL 24 H VAL 24 -13.583 0.272 -1.885 169 HA VAL 24 HA VAL 24 -15.126 1.364 -3.940 170 HB VAL 24 HB VAL 24 -15.685 1.699 -0.965 171 HG11 VAL 24 1HG1 VAL 24 -18.010 2.146 -1.602 172 HG12 VAL 24 2HG1 VAL 24 -17.543 2.097 -3.308 173 HG13 VAL 24 3HG1 VAL 24 -16.900 3.358 -2.256 174 HG21 VAL 24 3HG2 VAL 24 -16.815 -0.233 -2.966 175 HG22 VAL 24 1HG2 VAL 24 -17.238 -0.124 -1.258 176 HG23 VAL 24 2HG2 VAL 24 -15.607 -0.615 -1.736 177 H ASN 25 H ASN 25 -14.044 3.284 -1.148 178 HA ASN 25 HA ASN 25 -14.417 5.664 -2.819 179 HB2 ASN 25 1HB ASN 25 -14.764 5.265 0.139 180 HB3 ASN 25 2HB ASN 25 -14.696 6.873 -0.596 181 HD21 ASN 25 1HD2 ASN 25 -16.815 5.531 0.879 182 HD22 ASN 25 2HD2 ASN 25 -18.210 5.537 -0.162 183 H VAL 26 H VAL 26 -12.082 3.898 -2.429 184 HA VAL 26 HA VAL 26 -10.258 5.174 -0.763 185 HB VAL 26 HB VAL 26 -10.478 2.788 -1.694 186 HG11 VAL 26 1HG1 VAL 26 -10.330 3.157 -3.973 187 HG12 VAL 26 2HG1 VAL 26 -9.020 2.146 -3.386 188 HG13 VAL 26 3HG1 VAL 26 -8.698 3.840 -3.792 189 HG21 VAL 26 3HG2 VAL 26 -8.218 2.321 -1.221 190 HG22 VAL 26 1HG2 VAL 26 -8.999 3.431 -0.086 191 HG23 VAL 26 2HG2 VAL 26 -7.853 4.079 -1.307 192 H GLU 27 H GLU 27 -8.373 6.113 -1.399 193 HA GLU 27 HA GLU 27 -8.474 7.829 -3.707 194 HB2 GLU 27 1HB GLU 27 -6.371 8.710 -2.612 195 HB3 GLU 27 2HB GLU 27 -7.880 9.153 -1.848 196 HG2 GLU 27 1HG GLU 27 -6.036 6.931 -0.939 197 HG3 GLU 27 2HG GLU 27 -6.068 8.604 -0.347 198 H TRP 28 H TRP 28 -7.006 7.560 -5.222 199 HA TRP 28 HA TRP 28 -5.278 5.236 -4.925 200 HD1 TRP 28 HD1 TRP 28 -8.798 4.914 -7.199 201 HE1 TRP 28 HE1 TRP 28 -9.412 2.498 -6.481 202 HE3 TRP 28 HE3 TRP 28 -4.252 3.423 -5.638 203 HZ2 TRP 28 HZ2 TRP 28 -8.085 0.306 -5.498 204 HZ3 TRP 28 HZ3 TRP 28 -3.976 1.133 -4.788 205 HH2 TRP 28 HH2 TRP 28 -5.866 -0.389 -4.706 206 HB2 TRP 28 1HB TRP 28 -6.722 6.350 -7.145 207 HB3 TRP 28 2HB TRP 28 -5.320 5.361 -7.556 208 H ASN 29 H ASN 29 -3.333 5.094 -5.211 209 HA ASN 29 HA ASN 29 -1.224 5.650 -5.134 210 HB2 ASN 29 1HB ASN 29 -2.244 7.342 -7.279 211 HB3 ASN 29 2HB ASN 29 -0.614 7.769 -6.672 212 HD21 ASN 29 1HD2 ASN 29 1.001 6.227 -6.912 213 HD22 ASN 29 2HD2 ASN 29 0.868 4.907 -8.022 214 H ILE 30 H ILE 30 -3.124 6.643 -3.294 215 HA ILE 30 HA ILE 30 -1.482 8.791 -2.237 216 HB ILE 30 HB ILE 30 -4.495 8.559 -2.042 217 HG12 ILE 30 1HG1 ILE 30 -2.748 10.643 -3.344 218 HG13 ILE 30 2HG1 ILE 30 -3.762 9.466 -4.188 219 HG21 ILE 30 1HG2 ILE 30 -3.565 9.328 0.077 220 HG22 ILE 30 2HG2 ILE 30 -4.421 10.636 -0.722 221 HG23 ILE 30 3HG2 ILE 30 -2.657 10.597 -0.750 222 HD11 ILE 30 3HD1 ILE 30 -4.698 11.716 -2.430 223 HD12 ILE 30 1HD1 ILE 30 -5.742 10.569 -3.272 224 HD13 ILE 30 2HD1 ILE 30 -4.731 11.687 -4.193 225 H CYS 31 H CYS 31 -0.375 7.603 -0.866 226 HA CYS 31 HA CYS 31 -1.323 5.524 0.673 227 HB2 CYS 31 1HB CYS 31 0.977 5.705 0.725 228 HB3 CYS 31 2HB CYS 31 1.042 7.415 1.066 229 H GLN 32 H GLN 32 -2.995 5.570 1.692 230 HA GLN 32 HA GLN 32 -4.541 7.659 2.810 231 HB2 GLN 32 1HB GLN 32 -4.529 4.968 4.109 232 HB3 GLN 32 2HB GLN 32 -5.911 5.979 3.686 233 HG2 GLN 32 1HG GLN 32 -5.454 5.489 1.345 234 HG3 GLN 32 2HG GLN 32 -4.259 4.309 1.903 235 HE21 GLN 32 1HE2 GLN 32 -7.587 5.066 1.759 236 HE22 GLN 32 2HE2 GLN 32 -8.138 3.517 2.333 237 H ASP 33 H ASP 33 -2.054 5.757 4.062 238 HA ASP 33 HA ASP 33 -2.355 6.574 6.796 239 HB2 ASP 33 1HB ASP 33 -1.268 4.412 6.015 240 HB3 ASP 33 2HB ASP 33 0.162 5.386 5.641 241 H CYS 34 H CYS 34 -0.934 8.170 4.028 242 HA CYS 34 HA CYS 34 0.764 9.872 5.475 243 HB2 CYS 34 1HB CYS 34 -0.216 9.419 2.777 244 HB3 CYS 34 2HB CYS 34 0.177 11.077 3.140 245 H LYS 35 H LYS 35 -2.403 9.828 4.130 246 HA LYS 35 HA LYS 35 -2.865 12.646 4.619 247 HB2 LYS 35 1HB LYS 35 -5.183 12.152 3.823 248 HB3 LYS 35 2HB LYS 35 -3.881 11.821 2.659 249 HG2 LYS 35 1HG LYS 35 -4.076 9.513 3.176 250 HG3 LYS 35 2HG LYS 35 -5.298 9.857 4.413 251 HD2 LYS 35 1HD LYS 35 -5.525 10.518 1.523 252 HD3 LYS 35 2HD LYS 35 -6.192 9.055 2.286 253 HE2 LYS 35 1HE LYS 35 -7.592 10.482 3.742 254 HE3 LYS 35 2HE LYS 35 -6.944 11.916 2.959 255 HZ1 LYS 35 3HZ LYS 35 -7.963 11.332 0.948 256 HZ2 LYS 35 1HZ LYS 35 -9.149 11.184 2.122 257 HZ3 LYS 35 2HZ LYS 35 -8.379 9.804 1.474 258 H THR 36 H THR 36 -3.548 9.724 6.258 259 HA THR 36 HA THR 36 -5.374 11.085 7.968 260 HB THR 36 HB THR 36 -5.367 8.856 9.247 261 HG1 THR 36 HG1 THR 36 -4.275 7.804 6.874 262 HG21 THR 36 3HG2 THR 36 -6.816 7.771 7.586 263 HG22 THR 36 1HG2 THR 36 -6.205 8.868 6.349 264 HG23 THR 36 2HG2 THR 36 -7.154 9.500 7.693 265 H ASP 37 H ASP 37 -2.210 11.090 7.592 266 HA ASP 37 HA ASP 37 -1.653 11.097 10.470 267 HB2 ASP 37 1HB ASP 37 0.001 9.980 8.770 268 HB3 ASP 37 2HB ASP 37 0.494 11.646 8.460 269 H ASN 38 H ASN 38 -2.932 12.848 10.714 270 HA ASN 38 HA ASN 38 -1.732 15.413 9.892 271 HB2 ASN 38 1HB ASN 38 -4.413 14.927 11.230 272 HB3 ASN 38 2HB ASN 38 -3.804 16.475 10.624 273 HD21 ASN 38 1HD2 ASN 38 -5.299 13.487 9.827 274 HD22 ASN 38 2HD2 ASN 38 -5.532 13.798 8.137 275 H LYS 39 H LYS 39 -0.814 13.506 11.826 276 HA LYS 39 HA LYS 39 -1.175 14.459 14.495 277 HB2 LYS 39 1HB LYS 39 0.889 12.666 13.228 278 HB3 LYS 39 2HB LYS 39 0.652 12.871 14.968 279 HG2 LYS 39 1HG LYS 39 -1.440 11.806 14.909 280 HG3 LYS 39 2HG LYS 39 -1.554 11.963 13.162 281 HD2 LYS 39 1HD LYS 39 -1.077 9.664 13.634 282 HD3 LYS 39 2HD LYS 39 0.345 10.462 12.955 283 HE2 LYS 39 1HE LYS 39 0.080 10.191 15.931 284 HE3 LYS 39 2HE LYS 39 0.613 8.810 14.989 285 HZ1 LYS 39 3HZ LYS 39 2.525 9.991 15.748 286 HZ2 LYS 39 1HZ LYS 39 1.957 11.467 15.151 287 HZ3 LYS 39 2HZ LYS 39 2.403 10.218 14.107 288 H VAL 40 H VAL 40 1.223 14.644 12.001 289 HA VAL 40 HA VAL 40 2.817 16.591 13.449 290 HB VAL 40 HB VAL 40 4.264 16.480 11.403 291 HG11 VAL 40 1HG1 VAL 40 3.671 13.896 12.836 292 HG12 VAL 40 2HG1 VAL 40 4.795 15.150 13.361 293 HG13 VAL 40 3HG1 VAL 40 5.135 14.211 11.905 294 HG21 VAL 40 3HG2 VAL 40 2.588 15.767 9.777 295 HG22 VAL 40 1HG2 VAL 40 2.403 14.229 10.620 296 HG23 VAL 40 2HG2 VAL 40 3.927 14.620 9.826 297 H LYS 41 H LYS 41 3.679 18.413 11.833 298 HA LYS 41 HA LYS 41 1.413 20.046 11.148 299 HB2 LYS 41 1HB LYS 41 4.320 20.444 10.396 300 HB3 LYS 41 2HB LYS 41 3.045 21.654 10.269 301 HG2 LYS 41 1HG LYS 41 2.833 21.542 12.754 302 HG3 LYS 41 2HG LYS 41 4.271 20.513 12.768 303 HD2 LYS 41 1HD LYS 41 5.502 22.287 11.550 304 HD3 LYS 41 2HD LYS 41 4.080 23.314 11.673 305 HE2 LYS 41 1HE LYS 41 5.615 23.939 13.395 306 HE3 LYS 41 2HE LYS 41 4.238 23.142 14.146 307 HZ1 LYS 41 3HZ LYS 41 6.859 21.893 13.560 308 HZ2 LYS 41 1HZ LYS 41 5.574 21.117 14.334 309 HZ3 LYS 41 2HZ LYS 41 6.339 22.416 15.071 310 H ASP 42 H ASP 42 4.063 18.661 9.293 311 HA ASP 42 HA ASP 42 2.285 17.952 7.133 312 HB2 ASP 42 1HB ASP 42 4.813 19.561 6.665 313 HB3 ASP 42 2HB ASP 42 3.840 18.795 5.424 314 H LYS 43 H LYS 43 3.389 16.528 5.747 315 HA LYS 43 HA LYS 43 5.328 14.809 7.076 316 HB2 LYS 43 1HB LYS 43 3.950 14.589 4.390 317 HB3 LYS 43 2HB LYS 43 4.978 13.354 5.116 318 HG2 LYS 43 1HG LYS 43 3.432 12.905 6.804 319 HG3 LYS 43 2HG LYS 43 2.470 14.338 6.417 320 HD2 LYS 43 1HD LYS 43 2.904 12.113 4.437 321 HD3 LYS 43 2HD LYS 43 1.614 12.048 5.632 322 HE2 LYS 43 1HE LYS 43 0.723 12.881 3.513 323 HE3 LYS 43 2HE LYS 43 0.681 14.146 4.718 324 HZ1 LYS 43 3HZ LYS 43 2.407 15.280 3.655 325 HZ2 LYS 43 1HZ LYS 43 1.401 14.784 2.434 326 HZ3 LYS 43 2HZ LYS 43 2.861 13.987 2.661 327 H ALA 44 H ALA 44 4.940 17.118 4.562 328 HA ALA 44 HA ALA 44 7.439 18.024 4.220 329 HB1 ALA 44 3HB ALA 44 8.117 15.961 3.125 330 HB2 ALA 44 1HB ALA 44 7.802 17.128 1.843 331 HB3 ALA 44 2HB ALA 44 6.609 15.872 2.231 332 H GLU 45 H GLU 45 6.890 19.949 3.357 333 HA GLU 45 HA GLU 45 4.125 20.136 2.476 334 HB2 GLU 45 1HB GLU 45 4.231 22.454 2.986 335 HB3 GLU 45 2HB GLU 45 4.807 21.513 4.351 336 HG2 GLU 45 1HG GLU 45 7.112 22.038 3.816 337 HG3 GLU 45 2HG GLU 45 6.594 22.928 2.389 338 H GLU 46 H GLU 46 6.872 19.573 1.001 339 HA GLU 46 HA GLU 46 7.396 21.255 -1.010 340 HB2 GLU 46 1HB GLU 46 8.525 19.154 -0.380 341 HB3 GLU 46 2HB GLU 46 7.192 18.249 -1.095 342 HG2 GLU 46 1HG GLU 46 7.720 19.302 -3.224 343 HG3 GLU 46 2HG GLU 46 9.111 20.064 -2.419 344 H GLU 47 H GLU 47 5.533 18.335 -1.791 345 HA GLU 47 HA GLU 47 3.117 18.990 -2.447 346 HB2 GLU 47 1HB GLU 47 3.954 20.713 -4.051 347 HB3 GLU 47 2HB GLU 47 4.883 19.445 -4.875 348 HG2 GLU 47 1HG GLU 47 2.885 18.235 -5.241 349 HG3 GLU 47 2HG GLU 47 1.964 19.539 -4.470 350 H THR 48 H THR 48 5.874 17.797 -4.327 351 HA THR 48 HA THR 48 4.654 15.382 -5.094 352 HB THR 48 HB THR 48 7.604 15.982 -5.128 353 HG1 THR 48 HG1 THR 48 5.549 17.072 -6.776 354 HG21 THR 48 3HG2 THR 48 5.699 14.720 -7.125 355 HG22 THR 48 1HG2 THR 48 6.823 13.851 -6.080 356 HG23 THR 48 2HG2 THR 48 7.437 14.913 -7.347 357 H GLU 49 H GLU 49 7.138 16.358 -2.742 358 HA GLU 49 HA GLU 49 7.928 15.477 -0.800 359 HB2 GLU 49 1HB GLU 49 5.870 13.270 -1.164 360 HB3 GLU 49 2HB GLU 49 6.803 13.609 0.299 361 HG2 GLU 49 1HG GLU 49 5.628 15.724 0.575 362 HG3 GLU 49 2HG GLU 49 4.796 15.454 -0.946 363 H GLU 50 H GLU 50 9.010 15.149 -3.167 364 HA GLU 50 HA GLU 50 10.502 13.999 -4.489 365 HB2 GLU 50 1HB GLU 50 10.569 11.983 -2.210 366 HB3 GLU 50 2HB GLU 50 11.709 12.063 -3.539 367 HG2 GLU 50 1HG GLU 50 12.498 14.223 -2.748 368 HG3 GLU 50 2HG GLU 50 11.338 14.162 -1.417 369 H LYS 51 H LYS 51 10.619 10.981 -4.733 370 HA LYS 51 HA LYS 51 7.849 10.666 -5.429 371 HB2 LYS 51 1HB LYS 51 8.588 9.242 -7.345 372 HB3 LYS 51 2HB LYS 51 8.846 10.981 -7.569 373 HG2 LYS 51 1HG LYS 51 10.895 9.070 -6.616 374 HG3 LYS 51 2HG LYS 51 10.609 9.277 -8.352 375 HD2 LYS 51 1HD LYS 51 11.311 11.420 -6.399 376 HD3 LYS 51 2HD LYS 51 12.527 10.627 -7.422 377 HE2 LYS 51 1HE LYS 51 11.148 11.435 -9.391 378 HE3 LYS 51 2HE LYS 51 10.206 12.387 -8.250 379 HZ1 LYS 51 3HZ LYS 51 13.122 12.653 -8.707 380 HZ2 LYS 51 1HZ LYS 51 12.201 13.565 -7.625 381 HZ3 LYS 51 2HZ LYS 51 11.932 13.708 -9.271 382 HA PRO 52 HA PRO 52 8.797 7.124 -2.767 383 HB2 PRO 52 1HB PRO 52 6.615 7.322 -1.224 384 HB3 PRO 52 2HB PRO 52 7.980 8.419 -0.991 385 HG2 PRO 52 1HG PRO 52 5.448 8.887 -2.507 386 HG3 PRO 52 2HG PRO 52 6.213 9.917 -1.278 387 HD2 PRO 52 1HD PRO 52 6.584 10.344 -3.954 388 HD3 PRO 52 2HD PRO 52 7.826 10.649 -2.703 389 H SER 53 H SER 53 7.861 5.062 -2.956 390 HA SER 53 HA SER 53 6.014 4.750 -5.096 391 HG SER 53 HG SER 53 8.722 2.951 -3.222 392 HB2 SER 53 1HB SER 53 6.357 2.319 -4.377 393 HB3 SER 53 2HB SER 53 7.763 3.175 -5.038 394 H VAL 54 H VAL 54 4.093 3.633 -4.842 395 HA VAL 54 HA VAL 54 2.926 3.782 -2.107 396 HB VAL 54 HB VAL 54 1.330 4.463 -4.645 397 HG11 VAL 54 1HG1 VAL 54 -0.461 4.920 -3.196 398 HG12 VAL 54 2HG1 VAL 54 0.554 4.675 -1.769 399 HG13 VAL 54 3HG1 VAL 54 0.146 3.305 -2.807 400 HG21 VAL 54 3HG2 VAL 54 1.246 6.683 -3.870 401 HG22 VAL 54 1HG2 VAL 54 2.954 6.244 -3.923 402 HG23 VAL 54 2HG2 VAL 54 2.094 6.294 -2.375 403 H TRP 55 H TRP 55 2.670 2.077 -1.427 404 HA TRP 55 HA TRP 55 2.046 -0.210 -3.152 405 HD1 TRP 55 HD1 TRP 55 5.271 1.418 -1.460 406 HE1 TRP 55 HE1 TRP 55 7.349 0.866 -2.826 407 HE3 TRP 55 HE3 TRP 55 3.918 -3.211 -3.136 408 HZ2 TRP 55 HZ2 TRP 55 8.330 -1.278 -4.404 409 HZ3 TRP 55 HZ3 TRP 55 5.490 -4.454 -4.562 410 HH2 TRP 55 HH2 TRP 55 7.645 -3.506 -5.187 411 HB2 TRP 55 1HB TRP 55 3.359 -0.226 -0.419 412 HB3 TRP 55 2HB TRP 55 2.977 -1.656 -1.387 413 H LEU 56 H LEU 56 0.297 -1.128 -2.950 414 HA LEU 56 HA LEU 56 -1.502 -0.378 -0.772 415 HG LEU 56 HG LEU 56 -3.723 -1.689 -1.167 416 HB2 LEU 56 1HB LEU 56 -2.412 0.180 -2.876 417 HB3 LEU 56 2HB LEU 56 -2.239 -1.448 -3.513 418 HD11 LEU 56 1HD1 LEU 56 -5.615 -0.201 -1.483 419 HD12 LEU 56 2HD1 LEU 56 -4.717 0.655 -2.736 420 HD13 LEU 56 3HD1 LEU 56 -4.125 0.646 -1.074 421 HD21 LEU 56 3HD2 LEU 56 -4.511 -1.723 -4.053 422 HD22 LEU 56 1HD2 LEU 56 -5.560 -2.273 -2.723 423 HD23 LEU 56 2HD2 LEU 56 -4.010 -3.065 -3.012 424 H CYS 57 H CYS 57 -1.914 -1.802 0.719 425 HA CYS 57 HA CYS 57 -1.010 -4.478 0.914 426 HB2 CYS 57 1HB CYS 57 -1.631 -2.851 2.754 427 HB3 CYS 57 2HB CYS 57 -3.313 -3.140 2.339 428 H LEU 58 H LEU 58 -1.695 -6.093 -0.449 429 HA LEU 58 HA LEU 58 -4.205 -6.099 -1.799 430 HG LEU 58 HG LEU 58 -1.959 -5.905 -3.056 431 HB2 LEU 58 1HB LEU 58 -1.912 -7.950 -1.344 432 HB3 LEU 58 2HB LEU 58 -3.313 -8.443 -2.271 433 HD11 LEU 58 1HD1 LEU 58 -0.154 -7.514 -2.772 434 HD12 LEU 58 2HD1 LEU 58 -0.466 -7.118 -4.464 435 HD13 LEU 58 3HD1 LEU 58 -1.022 -8.672 -3.796 436 HD21 LEU 58 3HD2 LEU 58 -2.679 -6.724 -5.254 437 HD22 LEU 58 1HD2 LEU 58 -4.020 -6.563 -4.110 438 HD23 LEU 58 2HD2 LEU 58 -3.342 -8.152 -4.462 439 H LYS 59 H LYS 59 -3.303 -6.785 1.160 440 HA LYS 59 HA LYS 59 -5.254 -8.819 1.700 441 HB2 LYS 59 1HB LYS 59 -3.207 -8.892 2.909 442 HB3 LYS 59 2HB LYS 59 -3.464 -7.288 3.596 443 HG2 LYS 59 1HG LYS 59 -4.053 -8.808 5.275 444 HG3 LYS 59 2HG LYS 59 -5.500 -8.128 4.476 445 HD2 LYS 59 1HD LYS 59 -5.951 -10.102 3.297 446 HD3 LYS 59 2HD LYS 59 -4.349 -10.777 3.591 447 HE2 LYS 59 1HE LYS 59 -5.904 -11.988 4.914 448 HE3 LYS 59 2HE LYS 59 -4.938 -10.966 5.978 449 HZ1 LYS 59 3HZ LYS 59 -6.893 -9.376 5.986 450 HZ2 LYS 59 1HZ LYS 59 -7.204 -10.879 6.665 451 HZ3 LYS 59 2HZ LYS 59 -7.777 -10.551 5.149 452 H CYS 60 H CYS 60 -4.952 -5.416 2.452 453 HA CYS 60 HA CYS 60 -7.862 -5.417 3.126 454 HB2 CYS 60 1HB CYS 60 -7.574 -4.073 5.048 455 HB3 CYS 60 2HB CYS 60 -6.381 -5.389 5.112 456 H GLY 61 H GLY 61 -5.699 -4.004 1.099 457 HA2 GLY 61 1HA GLY 61 -6.066 -2.275 -0.364 458 HA3 GLY 61 2HA GLY 61 -7.623 -1.986 0.427 459 H HIS 62 H HIS 62 -4.919 -2.098 2.451 460 HA HIS 62 HA HIS 62 -4.995 0.771 3.086 461 HD1 HIS 62 HD1 HIS 62 -0.952 0.172 4.314 462 HD2 HIS 62 HD2 HIS 62 -4.417 1.689 6.036 463 HE1 HIS 62 HE1 HIS 62 -0.240 2.135 5.693 464 HB2 HIS 62 1HB HIS 62 -4.487 -0.896 4.876 465 HB3 HIS 62 2HB HIS 62 -3.024 -1.344 3.994 466 H GLN 63 H GLN 63 -3.986 2.209 2.188 467 HA GLN 63 HA GLN 63 -1.940 1.389 0.321 468 HB2 GLN 63 1HB GLN 63 -4.070 2.797 -0.075 469 HB3 GLN 63 2HB GLN 63 -2.983 4.119 0.364 470 HG2 GLN 63 1HG GLN 63 -1.483 3.552 -1.375 471 HG3 GLN 63 2HG GLN 63 -2.458 2.137 -1.809 472 HE21 GLN 63 1HE2 GLN 63 -4.959 3.660 -1.338 473 HE22 GLN 63 2HE2 GLN 63 -5.090 4.683 -2.698 474 H GLY 64 H GLY 64 0.019 1.790 0.834 475 HA2 GLY 64 1HA GLY 64 0.763 3.977 2.650 476 HA3 GLY 64 2HA GLY 64 1.360 2.330 2.872 477 H CYS 65 H CYS 65 2.799 4.676 2.480 478 HA CYS 65 HA CYS 65 3.733 4.452 -0.214 479 HB2 CYS 65 1HB CYS 65 5.158 6.452 0.364 480 HB3 CYS 65 2HB CYS 65 3.424 6.686 0.578 481 H GLY 66 H GLY 66 5.757 3.882 -0.775 482 HA2 GLY 66 1HA GLY 66 6.619 1.562 0.555 483 HA3 GLY 66 2HA GLY 66 7.317 2.269 -0.897 484 H ARG 67 H ARG 67 9.213 1.447 -0.072 485 HA ARG 67 HA ARG 67 10.193 2.175 2.492 486 HE ARG 67 HE ARG 67 14.010 -0.099 1.027 487 HB2 ARG 67 1HB ARG 67 12.117 0.835 1.967 488 HB3 ARG 67 2HB ARG 67 10.673 0.003 1.416 489 HG2 ARG 67 1HG ARG 67 11.157 0.930 -0.892 490 HG3 ARG 67 2HG ARG 67 12.673 1.494 -0.195 491 HD2 ARG 67 1HD ARG 67 11.795 -1.400 -0.260 492 HD3 ARG 67 2HD ARG 67 12.970 -0.672 -1.357 493 HH11 ARG 67 1HH1 ARG 67 12.845 -3.181 -0.300 494 HH12 ARG 67 2HH1 ARG 67 13.895 -4.146 0.613 495 HH21 ARG 67 1HH2 ARG 67 15.452 -1.425 2.303 496 HH22 ARG 67 2HH2 ARG 67 15.405 -3.117 2.163 497 H ASN 68 H ASN 68 10.178 3.892 -0.367 498 HA ASN 68 HA ASN 68 12.737 5.138 0.239 499 HB2 ASN 68 1HB ASN 68 12.381 6.306 -1.798 500 HB3 ASN 68 2HB ASN 68 12.721 4.567 -2.055 501 HD21 ASN 68 1HD2 ASN 68 11.752 6.161 -4.018 502 HD22 ASN 68 2HD2 ASN 68 10.093 5.782 -4.353 503 H SER 69 H SER 69 9.935 5.517 1.239 504 HA SER 69 HA SER 69 9.688 8.394 0.931 505 HG SER 69 HG SER 69 7.911 5.381 2.183 506 HB2 SER 69 1HB SER 69 7.665 8.166 2.379 507 HB3 SER 69 2HB SER 69 7.612 7.130 0.941 508 H GLN 70 H GLN 70 9.149 9.488 3.311 509 HA GLN 70 HA GLN 70 11.518 9.024 4.850 510 HB2 GLN 70 1HB GLN 70 10.982 11.315 4.534 511 HB3 GLN 70 2HB GLN 70 9.315 11.081 5.052 512 HG2 GLN 70 1HG GLN 70 11.576 10.683 6.977 513 HG3 GLN 70 2HG GLN 70 11.006 12.308 6.597 514 HE21 GLN 70 1HE2 GLN 70 10.895 10.736 9.093 515 HE22 GLN 70 2HE2 GLN 70 9.205 10.666 9.506 516 H GLU 71 H GLU 71 8.078 8.573 5.365 517 HA GLU 71 HA GLU 71 8.532 7.494 8.019 518 HB2 GLU 71 1HB GLU 71 6.096 7.943 6.375 519 HB3 GLU 71 2HB GLU 71 6.045 6.923 7.816 520 HG2 GLU 71 1HG GLU 71 6.951 9.776 7.739 521 HG3 GLU 71 2HG GLU 71 5.336 9.204 8.207 522 H GLN 72 H GLN 72 7.900 6.282 4.831 523 HA GLN 72 HA GLN 72 7.664 4.249 3.929 524 HB2 GLN 72 1HB GLN 72 9.104 3.192 6.401 525 HB3 GLN 72 2HB GLN 72 9.052 2.379 4.840 526 HG2 GLN 72 1HG GLN 72 10.368 4.140 3.877 527 HG3 GLN 72 2HG GLN 72 10.529 4.914 5.461 528 HE21 GLN 72 1HE2 GLN 72 11.620 2.685 3.392 529 HE22 GLN 72 2HE2 GLN 72 12.734 1.952 4.472 530 H HIS 73 H HIS 73 5.332 4.931 4.732 531 HA HIS 73 HA HIS 73 4.247 3.862 6.986 532 HD2 HIS 73 HD2 HIS 73 3.432 5.767 8.343 533 HE1 HIS 73 HE1 HIS 73 2.564 9.263 6.096 534 HE2 HIS 73 HE2 HIS 73 3.055 8.330 8.480 535 HB2 HIS 73 1HB HIS 73 3.229 5.008 4.450 536 HB3 HIS 73 2HB HIS 73 2.133 4.321 5.641 537 H ALA 74 H ALA 74 4.591 2.483 3.790 538 HA ALA 74 HA ALA 74 2.837 0.178 4.166 539 HB1 ALA 74 3HB ALA 74 3.999 -0.760 2.261 540 HB2 ALA 74 1HB ALA 74 5.287 0.438 2.411 541 HB3 ALA 74 2HB ALA 74 3.668 0.942 1.930 542 H LEU 75 H LEU 75 6.142 0.863 4.958 543 HA LEU 75 HA LEU 75 6.772 -1.817 5.756 544 HG LEU 75 HG LEU 75 9.985 0.120 4.901 545 HB2 LEU 75 1HB LEU 75 8.121 0.853 6.226 546 HB3 LEU 75 2HB LEU 75 8.735 -0.653 6.895 547 HD11 LEU 75 1HD1 LEU 75 9.971 -2.202 5.476 548 HD12 LEU 75 2HD1 LEU 75 10.058 -1.946 3.733 549 HD13 LEU 75 3HD1 LEU 75 8.537 -2.477 4.467 550 HD21 LEU 75 3HD2 LEU 75 7.441 -0.454 3.384 551 HD22 LEU 75 1HD2 LEU 75 8.999 -0.078 2.664 552 HD23 LEU 75 2HD2 LEU 75 8.144 1.142 3.605 553 H LYS 76 H LYS 76 6.041 1.245 7.585 554 HA LYS 76 HA LYS 76 5.804 0.230 10.057 555 HB2 LYS 76 1HB LYS 76 4.061 2.261 8.683 556 HB3 LYS 76 2HB LYS 76 4.215 2.058 10.433 557 HG2 LYS 76 1HG LYS 76 6.514 2.699 10.353 558 HG3 LYS 76 2HG LYS 76 6.479 2.746 8.584 559 HD2 LYS 76 1HD LYS 76 6.335 4.960 9.313 560 HD3 LYS 76 2HD LYS 76 4.730 4.486 8.766 561 HE2 LYS 76 1HE LYS 76 4.016 4.110 11.060 562 HE3 LYS 76 2HE LYS 76 5.614 4.583 11.649 563 HZ1 LYS 76 3HZ LYS 76 3.653 6.360 10.262 564 HZ2 LYS 76 1HZ LYS 76 5.232 6.818 10.653 565 HZ3 LYS 76 2HZ LYS 76 4.110 6.444 11.852 566 H HIS 77 H HIS 77 3.511 -0.043 7.384 567 HA HIS 77 HA HIS 77 1.416 -1.087 9.069 568 HD1 HIS 77 HD1 HIS 77 -1.216 -0.717 8.542 569 HD2 HIS 77 HD2 HIS 77 -0.219 -3.171 5.317 570 HE1 HIS 77 HE1 HIS 77 -3.247 -2.100 8.083 571 HB2 HIS 77 1HB HIS 77 0.923 0.072 6.945 572 HB3 HIS 77 2HB HIS 77 1.647 -1.277 6.049 573 H TYR 78 H TYR 78 3.965 -2.484 7.141 574 HA TYR 78 HA TYR 78 3.084 -5.101 7.737 575 HD1 TYR 78 HD1 TYR 78 3.796 -7.245 7.005 576 HD2 TYR 78 HD2 TYR 78 7.612 -5.414 7.490 577 HE1 TYR 78 HE1 TYR 78 4.784 -9.443 7.509 578 HE2 TYR 78 HE2 TYR 78 8.602 -7.604 7.985 579 HH TYR 78 HH TYR 78 7.958 -9.735 8.761 580 HB2 TYR 78 1HB TYR 78 4.555 -4.819 5.961 581 HB3 TYR 78 2HB TYR 78 5.798 -4.054 6.968 582 H LEU 79 H LEU 79 5.195 -2.775 9.515 583 HA LEU 79 HA LEU 79 5.934 -4.744 11.374 584 HG LEU 79 HG LEU 79 7.488 -2.636 9.528 585 HB2 LEU 79 1HB LEU 79 6.223 -1.752 11.363 586 HB3 LEU 79 2HB LEU 79 7.009 -2.861 12.489 587 HD11 LEU 79 1HD1 LEU 79 9.735 -1.992 10.189 588 HD12 LEU 79 2HD1 LEU 79 9.252 -2.061 11.885 589 HD13 LEU 79 3HD1 LEU 79 8.519 -0.872 10.805 590 HD21 LEU 79 3HD2 LEU 79 9.197 -4.377 9.855 591 HD22 LEU 79 1HD2 LEU 79 7.550 -4.929 10.185 592 HD23 LEU 79 2HD2 LEU 79 8.636 -4.572 11.528 593 H THR 80 H THR 80 3.180 -3.251 10.815 594 HA THR 80 HA THR 80 2.309 -2.567 13.446 595 HB THR 80 HB THR 80 0.698 -3.468 11.050 596 HG1 THR 80 HG1 THR 80 2.026 -1.304 11.310 597 HG21 THR 80 3HG2 THR 80 -1.236 -2.406 12.190 598 HG22 THR 80 1HG2 THR 80 -0.245 -2.206 13.637 599 HG23 THR 80 2HG2 THR 80 -0.629 -3.828 13.034 600 HA PRO 81 HA PRO 81 2.078 -6.937 14.670 601 HB2 PRO 81 1HB PRO 81 1.630 -6.614 17.288 602 HB3 PRO 81 2HB PRO 81 3.233 -6.353 16.570 603 HG2 PRO 81 1HG PRO 81 1.169 -4.385 17.381 604 HG3 PRO 81 2HG PRO 81 2.953 -4.374 17.543 605 HD2 PRO 81 1HD PRO 81 1.530 -3.012 15.568 606 HD3 PRO 81 2HD PRO 81 3.243 -3.487 15.447 607 H ARG 82 H ARG 82 0.526 -8.060 14.471 608 HA ARG 82 HA ARG 82 -2.178 -7.623 15.452 609 HE ARG 82 HE ARG 82 -0.583 -7.985 9.621 610 HB2 ARG 82 1HB ARG 82 -3.134 -7.792 13.085 611 HB3 ARG 82 2HB ARG 82 -2.373 -6.250 13.519 612 HG2 ARG 82 1HG ARG 82 -0.399 -6.821 12.379 613 HG3 ARG 82 2HG ARG 82 -0.961 -8.466 12.092 614 HD2 ARG 82 1HD ARG 82 -2.637 -7.650 10.599 615 HD3 ARG 82 2HD ARG 82 -2.196 -5.962 10.933 616 HH11 ARG 82 1HH1 ARG 82 -1.377 -4.580 10.210 617 HH12 ARG 82 2HH1 ARG 82 -0.031 -3.987 9.351 618 HH21 ARG 82 1HH2 ARG 82 1.208 -7.109 8.340 619 HH22 ARG 82 2HH2 ARG 82 1.433 -5.404 8.276 620 H SER 83 H SER 83 -3.650 -9.440 14.161 621 HA SER 83 HA SER 83 -2.314 -11.919 14.785 622 HG SER 83 HG SER 83 -4.472 -11.921 16.486 623 HB2 SER 83 1HB SER 83 -5.144 -11.451 13.822 624 HB3 SER 83 2HB SER 83 -4.510 -12.896 14.609 625 H GLU 84 H GLU 84 -3.788 -10.338 11.971 626 HA GLU 84 HA GLU 84 -3.082 -12.533 10.211 627 HB2 GLU 84 1HB GLU 84 -4.137 -9.794 9.568 628 HB3 GLU 84 2HB GLU 84 -4.020 -11.164 8.449 629 HG2 GLU 84 1HG GLU 84 -5.639 -12.359 9.891 630 HG3 GLU 84 2HG GLU 84 -5.817 -10.880 10.841 631 HA PRO 85 HA PRO 85 0.816 -10.903 9.140 632 HB2 PRO 85 1HB PRO 85 1.157 -11.759 6.566 633 HB3 PRO 85 2HB PRO 85 1.292 -12.812 7.988 634 HG2 PRO 85 1HG PRO 85 -0.942 -12.497 6.045 635 HG3 PRO 85 2HG PRO 85 -0.372 -13.955 6.889 636 HD2 PRO 85 1HD PRO 85 -2.593 -12.487 7.601 637 HD3 PRO 85 2HD PRO 85 -1.679 -13.542 8.705 638 H HIS 86 H HIS 86 -1.626 -10.232 6.656 639 HA HIS 86 HA HIS 86 -1.809 -8.590 4.993 640 HD2 HIS 86 HD2 HIS 86 -3.243 -8.992 7.979 641 HE1 HIS 86 HE1 HIS 86 -5.917 -5.836 7.112 642 HE2 HIS 86 HE2 HIS 86 -5.669 -8.110 8.240 643 HB2 HIS 86 1HB HIS 86 -0.980 -6.972 7.412 644 HB3 HIS 86 2HB HIS 86 -1.425 -6.215 5.878 645 H CYS 87 H CYS 87 0.280 -9.867 4.366 646 HA CYS 87 HA CYS 87 2.584 -8.149 4.564 647 HG CYS 87 HG CYS 87 1.552 -11.711 2.856 648 HB2 CYS 87 1HB CYS 87 3.779 -10.263 3.829 649 HB3 CYS 87 2HB CYS 87 3.120 -10.107 5.465 650 H LEU 88 H LEU 88 0.339 -8.297 2.422 651 HA LEU 88 HA LEU 88 2.049 -8.376 0.021 652 HG LEU 88 HG LEU 88 1.161 -10.869 0.644 653 HB2 LEU 88 1HB LEU 88 -0.652 -9.519 0.517 654 HB3 LEU 88 2HB LEU 88 -0.226 -9.030 -1.106 655 HD11 LEU 88 1HD1 LEU 88 -0.988 -11.824 -0.267 656 HD12 LEU 88 2HD1 LEU 88 0.463 -12.642 -0.873 657 HD13 LEU 88 3HD1 LEU 88 -0.377 -11.476 -1.908 658 HD21 LEU 88 3HD2 LEU 88 2.800 -10.045 -0.780 659 HD22 LEU 88 1HD2 LEU 88 1.718 -10.127 -2.177 660 HD23 LEU 88 2HD2 LEU 88 2.337 -11.605 -1.469 661 H VAL 89 H VAL 89 2.391 -6.864 -0.892 662 HA VAL 89 HA VAL 89 0.292 -4.856 -1.010 663 HB VAL 89 HB VAL 89 1.929 -3.053 -0.788 664 HG11 VAL 89 1HG1 VAL 89 1.970 -4.932 1.544 665 HG12 VAL 89 2HG1 VAL 89 0.825 -3.607 1.256 666 HG13 VAL 89 3HG1 VAL 89 2.524 -3.263 1.603 667 HG21 VAL 89 3HG2 VAL 89 3.929 -5.180 -0.091 668 HG22 VAL 89 1HG2 VAL 89 4.224 -3.431 -0.108 669 HG23 VAL 89 2HG2 VAL 89 3.827 -4.301 -1.610 670 H LEU 90 H LEU 90 0.133 -3.980 -2.990 671 HA LEU 90 HA LEU 90 2.092 -4.858 -4.969 672 HG LEU 90 HG LEU 90 -1.037 -2.996 -4.768 673 HB2 LEU 90 1HB LEU 90 0.408 -4.718 -6.636 674 HB3 LEU 90 2HB LEU 90 -0.376 -5.447 -5.244 675 HD11 LEU 90 1HD1 LEU 90 0.142 -2.004 -6.592 676 HD12 LEU 90 2HD1 LEU 90 -1.600 -1.814 -6.907 677 HD13 LEU 90 3HD1 LEU 90 -0.657 -3.082 -7.720 678 HD21 LEU 90 3HD2 LEU 90 -2.668 -4.720 -5.031 679 HD22 LEU 90 1HD2 LEU 90 -2.415 -4.758 -6.781 680 HD23 LEU 90 2HD2 LEU 90 -3.151 -3.348 -6.023 681 H SER 91 H SER 91 2.860 -3.260 -6.465 682 HA SER 91 HA SER 91 2.973 -0.657 -5.232 683 HG SER 91 HG SER 91 5.622 -1.687 -8.067 684 HB2 SER 91 1HB SER 91 4.993 -0.344 -6.427 685 HB3 SER 91 2HB SER 91 4.936 -2.056 -5.991 686 H LEU 92 H LEU 92 2.091 1.093 -6.050 687 HA LEU 92 HA LEU 92 0.471 0.961 -8.454 688 HG LEU 92 HG LEU 92 -0.622 1.039 -5.840 689 HB2 LEU 92 1HB LEU 92 0.968 2.989 -6.314 690 HB3 LEU 92 2HB LEU 92 -0.044 3.323 -7.717 691 HD11 LEU 92 1HD1 LEU 92 -1.730 3.810 -5.826 692 HD12 LEU 92 2HD1 LEU 92 -0.563 3.184 -4.660 693 HD13 LEU 92 3HD1 LEU 92 -2.179 2.475 -4.762 694 HD21 LEU 92 3HD2 LEU 92 -1.636 1.088 -8.106 695 HD22 LEU 92 1HD2 LEU 92 -2.266 2.686 -7.665 696 HD23 LEU 92 2HD2 LEU 92 -2.794 1.234 -6.764 697 H ASP 93 H ASP 93 3.463 1.004 -8.271 698 HA ASP 93 HA ASP 93 4.013 3.360 -9.940 699 HB2 ASP 93 1HB ASP 93 5.817 1.831 -8.062 700 HB3 ASP 93 2HB ASP 93 6.443 2.952 -9.278 701 H ASN 94 H ASN 94 5.101 0.004 -9.446 702 HA ASN 94 HA ASN 94 5.556 -0.112 -12.361 703 HB2 ASN 94 1HB ASN 94 7.616 -0.303 -10.949 704 HB3 ASN 94 2HB ASN 94 6.923 -1.758 -10.220 705 HD21 ASN 94 1HD2 ASN 94 8.674 -2.985 -10.921 706 HD22 ASN 94 2HD2 ASN 94 8.898 -3.396 -12.595 707 H TRP 95 H TRP 95 3.548 -1.044 -9.963 708 HA TRP 95 HA TRP 95 2.056 -2.577 -9.569 709 HD1 TRP 95 HD1 TRP 95 1.902 -0.566 -13.258 710 HE1 TRP 95 HE1 TRP 95 0.018 1.134 -12.954 711 HE3 TRP 95 HE3 TRP 95 -0.909 -3.066 -9.820 712 HZ2 TRP 95 HZ2 TRP 95 -2.342 1.416 -11.439 713 HZ3 TRP 95 HZ3 TRP 95 -2.972 -2.007 -8.990 714 HH2 TRP 95 HH2 TRP 95 -3.670 0.188 -9.789 715 HB2 TRP 95 1HB TRP 95 2.196 -3.053 -12.555 716 HB3 TRP 95 2HB TRP 95 0.977 -3.778 -11.507 717 H SER 96 H SER 96 4.118 -3.347 -8.524 718 HA SER 96 HA SER 96 4.493 -6.089 -9.414 719 HG SER 96 HG SER 96 7.680 -4.503 -9.328 720 HB2 SER 96 1HB SER 96 6.187 -4.579 -7.467 721 HB3 SER 96 2HB SER 96 6.530 -6.123 -8.239 722 H VAL 97 H VAL 97 4.776 -7.555 -7.562 723 HA VAL 97 HA VAL 97 3.161 -6.636 -5.324 724 HB VAL 97 HB VAL 97 3.429 -9.363 -6.594 725 HG11 VAL 97 1HG1 VAL 97 3.701 -9.545 -4.231 726 HG12 VAL 97 2HG1 VAL 97 2.132 -10.213 -4.800 727 HG13 VAL 97 3HG1 VAL 97 2.211 -8.615 -3.986 728 HG21 VAL 97 3HG2 VAL 97 1.724 -7.797 -7.386 729 HG22 VAL 97 1HG2 VAL 97 1.046 -7.798 -5.748 730 HG23 VAL 97 2HG2 VAL 97 1.153 -9.317 -6.668 731 H TRP 98 H TRP 98 3.944 -6.950 -3.309 732 HA TRP 98 HA TRP 98 6.580 -8.176 -3.113 733 HD1 TRP 98 HD1 TRP 98 7.032 -6.840 0.701 734 HE1 TRP 98 HE1 TRP 98 9.496 -7.457 1.111 735 HE3 TRP 98 HE3 TRP 98 8.765 -6.385 -4.071 736 HZ2 TRP 98 HZ2 TRP 98 11.814 -7.709 -0.377 737 HZ3 TRP 98 HZ3 TRP 98 11.104 -6.827 -4.528 738 HH2 TRP 98 HH2 TRP 98 12.648 -7.471 -2.709 739 HB2 TRP 98 1HB TRP 98 6.624 -5.568 -2.847 740 HB3 TRP 98 2HB TRP 98 5.736 -5.885 -1.353 741 H CYS 99 H CYS 99 6.755 -9.696 -1.498 742 HA CYS 99 HA CYS 99 4.474 -9.772 0.313 743 HB2 CYS 99 1HB CYS 99 4.259 -11.634 -1.183 744 HB3 CYS 99 2HB CYS 99 5.934 -12.123 -0.988 745 H TYR 100 H TYR 100 5.100 -9.376 2.204 746 HA TYR 100 HA TYR 100 7.860 -8.980 2.749 747 HD1 TYR 100 HD1 TYR 100 8.228 -6.500 3.800 748 HD2 TYR 100 HD2 TYR 100 4.098 -7.455 3.665 749 HE1 TYR 100 HE1 TYR 100 7.762 -4.220 3.076 750 HE2 TYR 100 HE2 TYR 100 3.596 -5.128 2.915 751 HH TYR 100 HH TYR 100 6.010 -3.017 1.841 752 HB2 TYR 100 1HB TYR 100 5.501 -8.947 4.592 753 HB3 TYR 100 2HB TYR 100 7.143 -8.498 5.058 754 H VAL 101 H VAL 101 5.646 -11.558 3.359 755 HA VAL 101 HA VAL 101 7.398 -12.826 5.296 756 HB VAL 101 HB VAL 101 4.946 -12.885 5.593 757 HG11 VAL 101 1HG1 VAL 101 3.582 -14.330 4.146 758 HG12 VAL 101 2HG1 VAL 101 5.053 -14.506 3.134 759 HG13 VAL 101 3HG1 VAL 101 4.342 -12.937 3.341 760 HG21 VAL 101 3HG2 VAL 101 6.228 -14.662 6.669 761 HG22 VAL 101 1HG2 VAL 101 6.122 -15.638 5.204 762 HG23 VAL 101 2HG2 VAL 101 4.666 -15.273 6.127 763 H CYS 102 H CYS 102 7.050 -12.765 1.915 764 HA CYS 102 HA CYS 102 8.567 -15.242 1.538 765 HB2 CYS 102 1HB CYS 102 7.269 -13.215 -0.248 766 HB3 CYS 102 2HB CYS 102 8.627 -14.136 -0.882 767 H ASP 103 H ASP 103 8.601 -11.858 1.654 768 HA ASP 103 HA ASP 103 9.965 -10.191 1.543 769 HB2 ASP 103 1HB ASP 103 10.897 -11.275 3.564 770 HB3 ASP 103 2HB ASP 103 12.153 -12.022 2.558 771 H ASN 104 H ASN 104 9.468 -10.916 -0.835 772 HA ASN 104 HA ASN 104 11.716 -10.078 -2.174 773 HB2 ASN 104 1HB ASN 104 11.942 -11.981 -3.633 774 HB3 ASN 104 2HB ASN 104 12.018 -12.527 -1.936 775 HD21 ASN 104 1HD2 ASN 104 10.134 -12.373 -4.732 776 HD22 ASN 104 2HD2 ASN 104 8.834 -13.344 -4.191 777 H GLU 105 H GLU 105 10.776 -10.283 -4.658 778 HA GLU 105 HA GLU 105 8.266 -8.924 -4.703 779 HB2 GLU 105 1HB GLU 105 10.252 -8.309 -5.880 780 HB3 GLU 105 2HB GLU 105 10.090 -9.728 -6.910 781 HG2 GLU 105 1HG GLU 105 8.102 -9.059 -7.819 782 HG3 GLU 105 2HG GLU 105 7.875 -7.788 -6.612 783 H VAL 106 H VAL 106 6.351 -9.883 -5.597 784 HA VAL 106 HA VAL 106 6.582 -12.726 -6.189 785 HB VAL 106 HB VAL 106 4.005 -11.245 -5.540 786 HG11 VAL 106 1HG1 VAL 106 3.714 -13.372 -6.691 787 HG12 VAL 106 2HG1 VAL 106 3.154 -13.458 -5.019 788 HG13 VAL 106 3HG1 VAL 106 4.701 -14.176 -5.468 789 HG21 VAL 106 3HG2 VAL 106 5.575 -11.041 -3.686 790 HG22 VAL 106 1HG2 VAL 106 5.831 -12.785 -3.704 791 HG23 VAL 106 2HG2 VAL 106 4.244 -12.132 -3.279 792 H GLN 107 H GLN 107 5.757 -13.644 -8.072 793 HA GLN 107 HA GLN 107 4.948 -11.913 -10.189 794 HB2 GLN 107 1HB GLN 107 5.945 -14.773 -10.151 795 HB3 GLN 107 2HB GLN 107 5.500 -13.856 -11.585 796 HG2 GLN 107 1HG GLN 107 7.836 -13.939 -11.572 797 HG3 GLN 107 2HG GLN 107 7.402 -12.325 -10.991 798 HE21 GLN 107 1HE2 GLN 107 8.067 -11.706 -9.068 799 HE22 GLN 107 2HE2 GLN 107 8.976 -12.651 -7.942 800 H TYR 108 H TYR 108 3.272 -12.671 -11.224 801 HA TYR 108 HA TYR 108 1.421 -14.666 -10.111 802 HD1 TYR 108 HD2 TYR 108 -0.431 -11.236 -11.786 803 HD2 TYR 108 HD1 TYR 108 2.143 -11.056 -8.434 804 HE1 TYR 108 HE2 TYR 108 -0.001 -8.870 -12.259 805 HE2 TYR 108 HE1 TYR 108 2.595 -8.769 -8.825 806 HH TYR 108 HH TYR 108 2.488 -7.090 -10.678 807 HB2 TYR 108 1HB TYR 108 -0.444 -12.961 -10.008 808 HB3 TYR 108 2HB TYR 108 0.774 -12.912 -8.727 809 H CYS 109 H CYS 109 -0.414 -15.080 -11.374 810 HA CYS 109 HA CYS 109 -0.395 -13.925 -14.055 811 HG CYS 109 HG CYS 109 -0.323 -17.800 -12.138 812 HB2 CYS 109 1HB CYS 109 -1.132 -16.090 -14.909 813 HB3 CYS 109 2HB CYS 109 0.437 -16.258 -14.104 814 H SER 110 H SER 110 -2.639 -14.079 -14.997 815 HA SER 110 HA SER 110 -4.502 -13.087 -13.126 816 HG SER 110 HG SER 110 -4.366 -11.744 -16.423 817 HB2 SER 110 1HB SER 110 -4.954 -13.904 -15.992 818 HB3 SER 110 2HB SER 110 -5.906 -12.757 -15.045 819 H SER 111 H SER 111 -3.650 -16.243 -13.744 820 HA SER 111 HA SER 111 -6.288 -17.418 -13.355 821 HG SER 111 HG SER 111 -5.023 -17.760 -15.427 822 HB2 SER 111 1HB SER 111 -3.586 -18.765 -13.248 823 HB3 SER 111 2HB SER 111 -5.156 -19.490 -13.655 824 H ASN 112 H ASN 112 -3.576 -16.343 -11.568 825 HA ASN 112 HA ASN 112 -4.354 -17.783 -9.164 826 HB2 ASN 112 1HB ASN 112 -1.956 -17.599 -9.745 827 HB3 ASN 112 2HB ASN 112 -2.093 -15.834 -9.667 828 HD21 ASN 112 1HD2 ASN 112 -1.831 -18.756 -7.892 829 HD22 ASN 112 2HD2 ASN 112 -1.692 -18.026 -6.322 830 H GLN 113 H GLN 113 -5.047 -16.666 -7.350 831 HA GLN 113 HA GLN 113 -6.866 -14.599 -7.706 832 HB2 GLN 113 1HB GLN 113 -6.886 -16.108 -5.775 833 HB3 GLN 113 2HB GLN 113 -5.383 -15.403 -5.198 834 HG2 GLN 113 1HG GLN 113 -6.541 -13.218 -4.981 835 HG3 GLN 113 2HG GLN 113 -8.057 -14.040 -5.364 836 HE21 GLN 113 1HE2 GLN 113 -5.579 -13.558 -3.028 837 HE22 GLN 113 2HE2 GLN 113 -6.437 -14.152 -1.662 838 H LEU 114 H LEU 114 -3.319 -14.369 -6.995 839 HA LEU 114 HA LEU 114 -3.373 -11.739 -6.056 840 HG LEU 114 HG LEU 114 -0.432 -11.249 -7.278 841 HB2 LEU 114 1HB LEU 114 -1.657 -13.383 -5.553 842 HB3 LEU 114 2HB LEU 114 -1.289 -13.534 -7.269 843 HD11 LEU 114 1HD1 LEU 114 -1.071 -11.315 -4.335 844 HD12 LEU 114 2HD1 LEU 114 -1.860 -10.310 -5.557 845 HD13 LEU 114 3HD1 LEU 114 -0.161 -10.051 -5.165 846 HD21 LEU 114 3HD2 LEU 114 1.544 -11.669 -6.022 847 HD22 LEU 114 1HD2 LEU 114 1.001 -13.181 -6.732 848 HD23 LEU 114 2HD2 LEU 114 0.715 -12.858 -5.019 849 H GLY 115 H GLY 115 -2.852 -13.288 -9.170 850 HA2 GLY 115 1HA GLY 115 -2.277 -10.839 -10.531 851 HA3 GLY 115 2HA GLY 115 -2.742 -12.356 -11.316 852 H GLN 116 H GLN 116 -5.250 -12.836 -10.060 853 HA GLN 116 HA GLN 116 -7.041 -11.430 -11.519 854 HB2 GLN 116 1HB GLN 116 -7.350 -12.742 -8.812 855 HB3 GLN 116 2HB GLN 116 -8.688 -12.239 -9.854 856 HG2 GLN 116 1HG GLN 116 -7.744 -13.668 -11.570 857 HG3 GLN 116 2HG GLN 116 -6.598 -14.294 -10.408 858 HE21 GLN 116 1HE2 GLN 116 -7.179 -15.872 -9.081 859 HE22 GLN 116 2HE2 GLN 116 -8.772 -16.564 -8.949 860 H VAL 117 H VAL 117 -5.778 -10.741 -8.352 861 HA VAL 117 HA VAL 117 -7.736 -8.715 -8.116 862 HB VAL 117 HB VAL 117 -5.922 -9.890 -6.085 863 HG11 VAL 117 1HG1 VAL 117 -7.346 -7.240 -5.705 864 HG12 VAL 117 2HG1 VAL 117 -5.612 -7.428 -5.940 865 HG13 VAL 117 3HG1 VAL 117 -6.374 -8.097 -4.484 866 HG21 VAL 117 3HG2 VAL 117 -8.780 -9.274 -6.477 867 HG22 VAL 117 1HG2 VAL 117 -8.143 -9.704 -4.880 868 HG23 VAL 117 2HG2 VAL 117 -7.939 -10.815 -6.253 869 H VAL 118 H VAL 118 -4.145 -8.786 -8.316 870 HA VAL 118 HA VAL 118 -3.794 -6.087 -8.393 871 HB VAL 118 HB VAL 118 -2.431 -8.219 -10.049 872 HG11 VAL 118 1HG1 VAL 118 -2.100 -6.007 -11.105 873 HG12 VAL 118 2HG1 VAL 118 -0.593 -6.576 -10.385 874 HG13 VAL 118 3HG1 VAL 118 -1.557 -5.350 -9.561 875 HG21 VAL 118 3HG2 VAL 118 -2.136 -8.474 -7.646 876 HG22 VAL 118 1HG2 VAL 118 -1.598 -6.791 -7.546 877 HG23 VAL 118 2HG2 VAL 118 -0.623 -7.970 -8.424 878 H ASP 119 H ASP 119 -5.095 -8.177 -10.877 879 HA ASP 119 HA ASP 119 -5.093 -6.225 -12.979 880 HB2 ASP 119 1HB ASP 119 -5.388 -8.726 -13.376 881 HB3 ASP 119 2HB ASP 119 -6.923 -8.582 -12.538 882 H TYR 120 H TYR 120 -7.304 -7.304 -10.591 883 HA TYR 120 HA TYR 120 -9.538 -5.726 -11.399 884 HD1 TYR 120 HD1 TYR 120 -12.146 -5.721 -9.728 885 HD2 TYR 120 HD2 TYR 120 -9.005 -6.377 -6.932 886 HE1 TYR 120 HE1 TYR 120 -13.423 -4.598 -7.994 887 HE2 TYR 120 HE2 TYR 120 -10.295 -5.269 -5.210 888 HH TYR 120 HH TYR 120 -12.131 -3.535 -5.128 889 HB2 TYR 120 1HB TYR 120 -10.260 -7.506 -10.027 890 HB3 TYR 120 2HB TYR 120 -8.852 -7.351 -8.973 891 H VAL 121 H VAL 121 -7.024 -5.220 -9.027 892 HA VAL 121 HA VAL 121 -8.166 -2.778 -8.123 893 HB VAL 121 HB VAL 121 -5.386 -3.958 -7.732 894 HG11 VAL 121 1HG1 VAL 121 -5.355 -1.553 -7.398 895 HG12 VAL 121 2HG1 VAL 121 -5.134 -2.425 -5.878 896 HG13 VAL 121 3HG1 VAL 121 -6.691 -1.695 -6.257 897 HG21 VAL 121 3HG2 VAL 121 -6.221 -4.491 -5.451 898 HG22 VAL 121 1HG2 VAL 121 -7.040 -5.357 -6.760 899 HG23 VAL 121 2HG2 VAL 121 -7.824 -3.985 -6.003 900 H ARG 122 H ARG 122 -5.922 -3.714 -10.571 901 HA ARG 122 HA ARG 122 -5.054 -1.083 -11.118 902 HE ARG 122 HE ARG 122 -2.179 -0.738 -14.982 903 HB2 ARG 122 1HB ARG 122 -3.841 -3.172 -11.797 904 HB3 ARG 122 2HB ARG 122 -5.121 -3.451 -12.978 905 HG2 ARG 122 1HG ARG 122 -4.513 -1.682 -14.287 906 HG3 ARG 122 2HG ARG 122 -3.664 -0.892 -12.939 907 HD2 ARG 122 1HD ARG 122 -1.913 -2.520 -13.034 908 HD3 ARG 122 2HD ARG 122 -2.763 -3.466 -14.267 909 HH11 ARG 122 1HH1 ARG 122 -0.900 -4.036 -14.968 910 HH12 ARG 122 2HH1 ARG 122 0.227 -3.744 -16.203 911 HH21 ARG 122 1HH2 ARG 122 -0.647 -0.347 -16.681 912 HH22 ARG 122 2HH2 ARG 122 0.387 -1.611 -17.185 913 H LYS 123 H LYS 123 -7.885 -3.044 -12.086 914 HA LYS 123 HA LYS 123 -8.848 -1.182 -13.954 915 HB2 LYS 123 1HB LYS 123 -10.274 -3.254 -12.271 916 HB3 LYS 123 2HB LYS 123 -10.919 -2.466 -13.702 917 HG2 LYS 123 1HG LYS 123 -8.484 -4.235 -13.695 918 HG3 LYS 123 2HG LYS 123 -10.128 -4.785 -14.066 919 HD2 LYS 123 1HD LYS 123 -10.256 -3.385 -15.913 920 HD3 LYS 123 2HD LYS 123 -8.748 -2.557 -15.489 921 HE2 LYS 123 1HE LYS 123 -8.433 -4.176 -17.370 922 HE3 LYS 123 2HE LYS 123 -7.462 -4.575 -15.957 923 HZ1 LYS 123 3HZ LYS 123 -8.627 -6.459 -17.075 924 HZ2 LYS 123 1HZ LYS 123 -10.085 -5.847 -16.528 925 HZ3 LYS 123 2HZ LYS 123 -8.884 -6.385 -15.437 926 H GLN 124 H GLN 124 -8.815 -1.423 -10.503 927 HA GLN 124 HA GLN 124 -11.129 0.196 -10.113 928 HB2 GLN 124 1HB GLN 124 -8.973 -0.420 -8.109 929 HB3 GLN 124 2HB GLN 124 -10.424 0.512 -7.733 930 HG2 GLN 124 1HG GLN 124 -10.074 -2.408 -8.021 931 HG3 GLN 124 2HG GLN 124 -11.163 -1.383 -7.065 932 HE21 GLN 124 1HE2 GLN 124 -10.647 -2.885 -10.023 933 HE22 GLN 124 2HE2 GLN 124 -12.240 -2.882 -10.635 934 H ALA 125 H ALA 125 -7.691 0.632 -9.647 935 HA ALA 125 HA ALA 125 -7.715 3.423 -9.139 936 HB1 ALA 125 3HB ALA 125 -5.324 3.207 -9.250 937 HB2 ALA 125 1HB ALA 125 -5.470 1.615 -10.040 938 HB3 ALA 125 2HB ALA 125 -6.038 1.843 -8.379 939 H SER 126 H SER 126 -7.061 1.443 -11.941 940 HA SER 126 HA SER 126 -6.674 1.881 -14.068 941 HG SER 126 HG SER 126 -9.088 3.876 -12.773 942 HB2 SER 126 1HB SER 126 -8.721 2.942 -15.169 943 HB3 SER 126 2HB SER 126 -8.986 1.531 -14.148 Start of MODEL 3 1 HA PRO 5 HA PRO 5 9.680 -20.414 -3.135 2 HB2 PRO 5 1HB PRO 5 10.593 -18.197 -4.317 3 HB3 PRO 5 2HB PRO 5 11.567 -19.130 -3.160 4 HG2 PRO 5 1HG PRO 5 11.661 -19.167 -6.160 5 HG3 PRO 5 2HG PRO 5 13.020 -19.204 -4.999 6 HD2 PRO 5 1HD PRO 5 11.998 -21.327 -6.296 7 HD3 PRO 5 2HD PRO 5 12.760 -21.482 -4.681 8 H VAL 6 H VAL 6 8.037 -19.165 -3.314 9 HA VAL 6 HA VAL 6 6.722 -18.129 -5.516 10 HB VAL 6 HB VAL 6 6.593 -20.608 -6.075 11 HG11 VAL 6 1HG1 VAL 6 4.941 -20.767 -3.578 12 HG12 VAL 6 2HG1 VAL 6 6.495 -21.547 -3.874 13 HG13 VAL 6 3HG1 VAL 6 5.064 -22.041 -4.790 14 HG21 VAL 6 3HG2 VAL 6 4.937 -19.117 -6.962 15 HG22 VAL 6 1HG2 VAL 6 4.004 -19.255 -5.471 16 HG23 VAL 6 2HG2 VAL 6 4.176 -20.662 -6.533 17 H CYS 7 H CYS 7 4.548 -17.334 -4.621 18 HA CYS 7 HA CYS 7 4.829 -17.286 -1.770 19 HB2 CYS 7 1HB CYS 7 4.607 -15.103 -2.881 20 HB3 CYS 7 2HB CYS 7 2.993 -15.577 -3.438 21 H ARG 8 H ARG 8 3.705 -18.415 -0.517 22 HA ARG 8 HA ARG 8 1.179 -19.702 -1.380 23 HE ARG 8 HE ARG 8 3.865 -23.071 -2.727 24 HB2 ARG 8 1HB ARG 8 3.136 -20.388 0.795 25 HB3 ARG 8 2HB ARG 8 1.625 -21.248 0.459 26 HG2 ARG 8 1HG ARG 8 3.960 -20.957 -1.395 27 HG3 ARG 8 2HG ARG 8 3.556 -22.416 -0.471 28 HD2 ARG 8 1HD ARG 8 1.407 -22.501 -1.701 29 HD3 ARG 8 2HD ARG 8 1.920 -21.081 -2.616 30 HH11 ARG 8 1HH1 ARG 8 0.699 -22.316 -4.067 31 HH12 ARG 8 2HH1 ARG 8 0.922 -23.194 -5.504 32 HH21 ARG 8 1HH2 ARG 8 4.223 -24.254 -4.683 33 HH22 ARG 8 2HH2 ARG 8 3.021 -24.340 -5.872 34 H HIS 9 H HIS 9 1.956 -17.003 -0.122 35 HA HIS 9 HA HIS 9 0.306 -17.050 2.388 36 HD2 HIS 9 HD2 HIS 9 2.416 -17.270 4.502 37 HE1 HIS 9 HE1 HIS 9 6.218 -16.490 2.810 38 HE2 HIS 9 HE2 HIS 9 4.975 -17.668 4.696 39 HB2 HIS 9 1HB HIS 9 2.148 -14.876 1.382 40 HB3 HIS 9 2HB HIS 9 1.333 -14.953 2.944 41 H ILE 10 H ILE 10 -0.388 -16.850 -0.642 42 HA ILE 10 HA ILE 10 -0.864 -14.321 -1.204 43 HB ILE 10 HB ILE 10 -2.352 -16.705 -2.288 44 HG12 ILE 10 1HG1 ILE 10 0.135 -15.214 -2.903 45 HG13 ILE 10 2HG1 ILE 10 -0.041 -16.910 -2.499 46 HG21 ILE 10 1HG2 ILE 10 -2.822 -15.298 -4.268 47 HG22 ILE 10 2HG2 ILE 10 -2.121 -13.905 -3.441 48 HG23 ILE 10 3HG2 ILE 10 -3.595 -14.646 -2.824 49 HD11 ILE 10 3HD1 ILE 10 -0.942 -15.666 -5.082 50 HD12 ILE 10 1HD1 ILE 10 -1.135 -17.361 -4.593 51 HD13 ILE 10 2HD1 ILE 10 0.484 -16.676 -4.826 52 H ARG 11 H ARG 11 -2.992 -16.772 -0.141 53 HA ARG 11 HA ARG 11 -5.431 -15.289 0.058 54 HE ARG 11 HE ARG 11 -7.636 -18.788 0.335 55 HB2 ARG 11 1HB ARG 11 -4.660 -17.739 1.553 56 HB3 ARG 11 2HB ARG 11 -6.313 -17.206 1.257 57 HG2 ARG 11 1HG ARG 11 -6.028 -17.545 -1.137 58 HG3 ARG 11 2HG ARG 11 -4.340 -18.009 -0.884 59 HD2 ARG 11 1HD ARG 11 -5.580 -19.993 -1.205 60 HD3 ARG 11 2HD ARG 11 -5.179 -19.904 0.506 61 HH11 ARG 11 1HH1 ARG 11 -6.230 -21.876 -0.624 62 HH12 ARG 11 2HH1 ARG 11 -7.708 -22.737 -0.572 63 HH21 ARG 11 1HH2 ARG 11 -9.674 -19.995 0.465 64 HH22 ARG 11 2HH2 ARG 11 -9.679 -21.658 0.057 65 H LYS 12 H LYS 12 -2.766 -15.733 2.224 66 HA LYS 12 HA LYS 12 -4.104 -14.771 4.520 67 HB2 LYS 12 1HB LYS 12 -1.203 -15.202 3.954 68 HB3 LYS 12 2HB LYS 12 -1.896 -14.807 5.526 69 HG2 LYS 12 1HG LYS 12 -3.260 -16.834 5.432 70 HG3 LYS 12 2HG LYS 12 -2.512 -17.243 3.880 71 HD2 LYS 12 1HD LYS 12 -1.492 -18.462 5.695 72 HD3 LYS 12 2HD LYS 12 -0.353 -17.322 4.954 73 HE2 LYS 12 1HE LYS 12 -0.616 -15.778 6.697 74 HE3 LYS 12 2HE LYS 12 -1.957 -16.677 7.408 75 HZ1 LYS 12 3HZ LYS 12 0.874 -17.623 7.265 76 HZ2 LYS 12 1HZ LYS 12 -0.416 -18.441 7.970 77 HZ3 LYS 12 2HZ LYS 12 0.143 -16.991 8.625 78 H GLY 13 H GLY 13 -2.504 -13.387 1.850 79 HA2 GLY 13 1HA GLY 13 -2.212 -10.747 3.185 80 HA3 GLY 13 2HA GLY 13 -1.129 -11.335 1.956 81 H LEU 14 H LEU 14 -4.040 -12.364 1.035 82 HA LEU 14 HA LEU 14 -4.812 -9.856 -0.225 83 HG LEU 14 HG LEU 14 -4.824 -9.909 -2.785 84 HB2 LEU 14 1HB LEU 14 -3.454 -11.507 -1.618 85 HB3 LEU 14 2HB LEU 14 -4.834 -12.585 -1.476 86 HD11 LEU 14 1HD1 LEU 14 -4.653 -12.665 -3.910 87 HD12 LEU 14 2HD1 LEU 14 -3.412 -11.414 -3.932 88 HD13 LEU 14 3HD1 LEU 14 -4.898 -11.205 -4.870 89 HD21 LEU 14 3HD2 LEU 14 -6.853 -11.069 -3.927 90 HD22 LEU 14 1HD2 LEU 14 -7.074 -10.223 -2.375 91 HD23 LEU 14 2HD2 LEU 14 -6.926 -11.964 -2.401 92 H GLU 15 H GLU 15 -6.812 -9.493 0.465 93 HA GLU 15 HA GLU 15 -8.355 -11.822 1.220 94 HB2 GLU 15 1HB GLU 15 -7.421 -10.484 3.004 95 HB3 GLU 15 2HB GLU 15 -8.491 -9.129 2.578 96 HG2 GLU 15 1HG GLU 15 -9.361 -10.183 4.397 97 HG3 GLU 15 2HG GLU 15 -10.278 -10.772 3.002 98 H GLN 16 H GLN 16 -9.677 -11.774 -0.751 99 HA GLN 16 HA GLN 16 -9.991 -9.587 -2.328 100 HB2 GLN 16 1HB GLN 16 -11.821 -11.945 -2.458 101 HB3 GLN 16 2HB GLN 16 -11.523 -10.708 -3.685 102 HG2 GLN 16 1HG GLN 16 -9.162 -11.392 -3.748 103 HG3 GLN 16 2HG GLN 16 -9.553 -12.712 -2.639 104 HE21 GLN 16 1HE2 GLN 16 -11.656 -11.616 -5.238 105 HE22 GLN 16 2HE2 GLN 16 -11.460 -13.020 -6.223 106 H GLY 17 H GLY 17 -12.404 -10.843 -0.098 107 HA2 GLY 17 1HA GLY 17 -14.595 -9.250 -1.109 108 HA3 GLY 17 2HA GLY 17 -14.594 -10.160 0.411 109 H ASN 18 H ASN 18 -12.203 -8.921 1.312 110 HA ASN 18 HA ASN 18 -13.249 -6.635 2.660 111 HB2 ASN 18 1HB ASN 18 -11.628 -8.207 3.659 112 HB3 ASN 18 2HB ASN 18 -10.444 -7.754 2.448 113 HD21 ASN 18 1HD2 ASN 18 -8.982 -7.105 3.903 114 HD22 ASN 18 2HD2 ASN 18 -9.183 -5.707 4.910 115 H LEU 19 H LEU 19 -11.008 -7.229 0.059 116 HA LEU 19 HA LEU 19 -9.834 -4.764 -0.393 117 HG LEU 19 HG LEU 19 -8.368 -7.636 -2.118 118 HB2 LEU 19 1HB LEU 19 -10.478 -7.055 -2.166 119 HB3 LEU 19 2HB LEU 19 -9.863 -5.558 -2.858 120 HD11 LEU 19 1HD1 LEU 19 -6.476 -6.012 -2.066 121 HD12 LEU 19 2HD1 LEU 19 -7.688 -4.705 -2.030 122 HD13 LEU 19 3HD1 LEU 19 -7.591 -5.803 -3.426 123 HD21 LEU 19 3HD2 LEU 19 -8.847 -7.342 0.249 124 HD22 LEU 19 1HD2 LEU 19 -8.179 -5.710 0.191 125 HD23 LEU 19 2HD2 LEU 19 -7.135 -7.104 -0.109 126 H LYS 20 H LYS 20 -12.902 -5.946 -1.858 127 HA LYS 20 HA LYS 20 -13.326 -3.726 -3.556 128 HB2 LYS 20 1HB LYS 20 -15.219 -5.627 -2.173 129 HB3 LYS 20 2HB LYS 20 -15.785 -4.314 -3.179 130 HG2 LYS 20 1HG LYS 20 -15.849 -6.374 -4.404 131 HG3 LYS 20 2HG LYS 20 -14.614 -5.316 -5.097 132 HD2 LYS 20 1HD LYS 20 -12.877 -6.628 -4.194 133 HD3 LYS 20 2HD LYS 20 -14.001 -7.509 -3.140 134 HE2 LYS 20 1HE LYS 20 -13.374 -8.914 -5.027 135 HE3 LYS 20 2HE LYS 20 -15.078 -8.443 -5.118 136 HZ1 LYS 20 3HZ LYS 20 -14.161 -8.302 -7.264 137 HZ2 LYS 20 1HZ LYS 20 -12.861 -7.363 -6.751 138 HZ3 LYS 20 2HZ LYS 20 -14.442 -6.747 -6.750 139 H LYS 21 H LYS 21 -13.906 -4.083 -0.125 140 HA LYS 21 HA LYS 21 -15.717 -1.883 -0.095 141 HB2 LYS 21 1HB LYS 21 -14.479 -3.543 2.059 142 HB3 LYS 21 2HB LYS 21 -15.687 -2.290 2.341 143 HG2 LYS 21 1HG LYS 21 -17.333 -3.438 1.212 144 HG3 LYS 21 2HG LYS 21 -16.160 -4.488 0.400 145 HD2 LYS 21 1HD LYS 21 -15.621 -5.532 2.421 146 HD3 LYS 21 2HD LYS 21 -16.715 -4.482 3.350 147 HE2 LYS 21 1HE LYS 21 -17.551 -6.188 1.067 148 HE3 LYS 21 2HE LYS 21 -17.658 -6.772 2.744 149 HZ1 LYS 21 3HZ LYS 21 -19.098 -4.500 1.461 150 HZ2 LYS 21 1HZ LYS 21 -19.145 -4.789 3.126 151 HZ3 LYS 21 2HZ LYS 21 -19.777 -5.920 2.047 152 H ALA 22 H ALA 22 -12.350 -2.448 0.330 153 HA ALA 22 HA ALA 22 -11.873 0.008 1.806 154 HB1 ALA 22 3HB ALA 22 -10.584 -1.995 2.294 155 HB2 ALA 22 1HB ALA 22 -9.562 -0.664 1.755 156 HB3 ALA 22 2HB ALA 22 -9.957 -1.979 0.646 157 H LEU 23 H LEU 23 -11.533 -1.220 -1.466 158 HA LEU 23 HA LEU 23 -10.021 1.080 -2.316 159 HG LEU 23 HG LEU 23 -10.236 -2.373 -2.726 160 HB2 LEU 23 1HB LEU 23 -11.407 -0.857 -4.095 161 HB3 LEU 23 2HB LEU 23 -9.953 0.078 -4.428 162 HD11 LEU 23 1HD1 LEU 23 -8.625 -1.874 -5.181 163 HD12 LEU 23 2HD1 LEU 23 -10.072 -2.869 -5.007 164 HD13 LEU 23 3HD1 LEU 23 -8.579 -3.326 -4.181 165 HD21 LEU 23 3HD2 LEU 23 -7.908 -2.273 -2.112 166 HD22 LEU 23 1HD2 LEU 23 -8.733 -0.839 -1.544 167 HD23 LEU 23 2HD2 LEU 23 -7.685 -0.744 -2.973 168 H VAL 24 H VAL 24 -13.138 0.511 -1.669 169 HA VAL 24 HA VAL 24 -14.517 2.118 -3.524 170 HB VAL 24 HB VAL 24 -15.119 1.665 -0.584 171 HG11 VAL 24 1HG1 VAL 24 -17.388 2.518 -1.085 172 HG12 VAL 24 2HG1 VAL 24 -16.798 3.084 -2.658 173 HG13 VAL 24 3HG1 VAL 24 -16.130 3.745 -1.157 174 HG21 VAL 24 3HG2 VAL 24 -16.879 0.227 -1.423 175 HG22 VAL 24 1HG2 VAL 24 -15.303 -0.294 -2.011 176 HG23 VAL 24 2HG2 VAL 24 -16.395 0.585 -3.084 177 H ASN 25 H ASN 25 -13.200 3.158 -0.356 178 HA ASN 25 HA ASN 25 -13.584 5.941 -1.217 179 HB2 ASN 25 1HB ASN 25 -13.263 4.729 1.523 180 HB3 ASN 25 2HB ASN 25 -13.336 6.466 1.206 181 HD21 ASN 25 1HD2 ASN 25 -15.092 4.466 2.596 182 HD22 ASN 25 2HD2 ASN 25 -16.687 4.813 2.009 183 H VAL 26 H VAL 26 -11.308 3.881 -1.619 184 HA VAL 26 HA VAL 26 -9.079 4.962 -0.323 185 HB VAL 26 HB VAL 26 -9.735 2.773 -1.500 186 HG11 VAL 26 1HG1 VAL 26 -8.552 2.223 -3.448 187 HG12 VAL 26 2HG1 VAL 26 -8.266 3.954 -3.721 188 HG13 VAL 26 3HG1 VAL 26 -9.923 3.303 -3.649 189 HG21 VAL 26 3HG2 VAL 26 -6.946 3.690 -1.209 190 HG22 VAL 26 1HG2 VAL 26 -7.462 2.012 -1.546 191 HG23 VAL 26 2HG2 VAL 26 -8.037 2.821 -0.082 192 H GLU 27 H GLU 27 -7.552 6.217 -1.186 193 HA GLU 27 HA GLU 27 -8.295 7.911 -3.460 194 HB2 GLU 27 1HB GLU 27 -7.729 8.905 -1.216 195 HB3 GLU 27 2HB GLU 27 -6.084 8.335 -1.502 196 HG2 GLU 27 1HG GLU 27 -6.250 10.533 -2.051 197 HG3 GLU 27 2HG GLU 27 -6.088 9.577 -3.545 198 H TRP 28 H TRP 28 -7.476 6.966 -5.122 199 HA TRP 28 HA TRP 28 -5.313 5.171 -4.970 200 HD1 TRP 28 HD1 TRP 28 -8.883 4.766 -7.051 201 HE1 TRP 28 HE1 TRP 28 -9.376 2.334 -6.403 202 HE3 TRP 28 HE3 TRP 28 -4.193 3.375 -5.833 203 HZ2 TRP 28 HZ2 TRP 28 -7.893 0.110 -5.576 204 HZ3 TRP 28 HZ3 TRP 28 -3.793 1.076 -5.099 205 HH2 TRP 28 HH2 TRP 28 -5.610 -0.513 -4.963 206 HB2 TRP 28 1HB TRP 28 -6.905 6.252 -7.118 207 HB3 TRP 28 2HB TRP 28 -5.467 5.348 -7.583 208 H ASN 29 H ASN 29 -3.423 5.155 -5.125 209 HA ASN 29 HA ASN 29 -1.297 5.628 -5.489 210 HB2 ASN 29 1HB ASN 29 -2.321 6.336 -7.692 211 HB3 ASN 29 2HB ASN 29 -2.073 7.988 -7.129 212 HD21 ASN 29 1HD2 ASN 29 0.060 5.303 -6.532 213 HD22 ASN 29 2HD2 ASN 29 1.354 6.035 -7.416 214 H ILE 30 H ILE 30 -3.104 6.892 -3.563 215 HA ILE 30 HA ILE 30 -1.151 8.832 -2.574 216 HB ILE 30 HB ILE 30 -4.161 9.087 -2.255 217 HG12 ILE 30 1HG1 ILE 30 -2.199 10.611 -4.005 218 HG13 ILE 30 2HG1 ILE 30 -3.749 9.809 -4.360 219 HG21 ILE 30 1HG2 ILE 30 -3.072 9.788 -0.223 220 HG22 ILE 30 2HG2 ILE 30 -3.723 11.193 -1.040 221 HG23 ILE 30 3HG2 ILE 30 -1.990 10.862 -1.113 222 HD11 ILE 30 3HD1 ILE 30 -3.870 12.262 -4.500 223 HD12 ILE 30 1HD1 ILE 30 -3.513 12.344 -2.776 224 HD13 ILE 30 2HD1 ILE 30 -4.989 11.556 -3.342 225 H CYS 31 H CYS 31 -0.231 7.645 -1.110 226 HA CYS 31 HA CYS 31 -1.282 5.705 0.516 227 HB2 CYS 31 1HB CYS 31 1.041 5.953 0.672 228 HB3 CYS 31 2HB CYS 31 1.017 7.650 1.083 229 H GLN 32 H GLN 32 -3.082 5.824 1.402 230 HA GLN 32 HA GLN 32 -4.482 8.053 2.421 231 HB2 GLN 32 1HB GLN 32 -4.737 5.196 3.334 232 HB3 GLN 32 2HB GLN 32 -5.953 6.465 3.518 233 HG2 GLN 32 1HG GLN 32 -5.952 6.675 1.134 234 HG3 GLN 32 2HG GLN 32 -5.003 5.188 1.019 235 HE21 GLN 32 1HE2 GLN 32 -8.062 6.522 1.836 236 HE22 GLN 32 2HE2 GLN 32 -8.871 5.019 2.096 237 H ASP 33 H ASP 33 -2.426 5.833 3.674 238 HA ASP 33 HA ASP 33 -2.654 6.444 6.433 239 HB2 ASP 33 1HB ASP 33 -1.639 4.334 5.336 240 HB3 ASP 33 2HB ASP 33 -0.140 5.273 5.262 241 H CYS 34 H CYS 34 -1.078 8.287 3.856 242 HA CYS 34 HA CYS 34 0.521 9.780 5.624 243 HB2 CYS 34 1HB CYS 34 -0.095 9.600 2.776 244 HB3 CYS 34 2HB CYS 34 0.301 11.194 3.375 245 H LYS 35 H LYS 35 -2.584 9.886 4.050 246 HA LYS 35 HA LYS 35 -2.898 12.705 4.639 247 HB2 LYS 35 1HB LYS 35 -5.084 12.447 3.464 248 HB3 LYS 35 2HB LYS 35 -3.634 12.140 2.488 249 HG2 LYS 35 1HG LYS 35 -4.120 9.977 2.247 250 HG3 LYS 35 2HG LYS 35 -4.895 9.851 3.829 251 HD2 LYS 35 1HD LYS 35 -6.461 9.520 2.060 252 HD3 LYS 35 2HD LYS 35 -6.842 10.969 2.994 253 HE2 LYS 35 1HE LYS 35 -5.787 12.333 1.198 254 HE3 LYS 35 2HE LYS 35 -5.534 10.853 0.269 255 HZ1 LYS 35 3HZ LYS 35 -7.979 10.535 0.287 256 HZ2 LYS 35 1HZ LYS 35 -7.506 11.971 -0.480 257 HZ3 LYS 35 2HZ LYS 35 -8.140 12.028 1.067 258 H THR 36 H THR 36 -4.412 9.652 5.640 259 HA THR 36 HA THR 36 -6.116 11.238 7.297 260 HB THR 36 HB THR 36 -7.085 8.870 7.867 261 HG1 THR 36 HG1 THR 36 -6.543 7.294 6.601 262 HG21 THR 36 3HG2 THR 36 -8.549 9.025 5.902 263 HG22 THR 36 1HG2 THR 36 -7.411 10.153 5.161 264 HG23 THR 36 2HG2 THR 36 -8.266 10.610 6.634 265 H ASP 37 H ASP 37 -3.191 10.450 7.620 266 HA ASP 37 HA ASP 37 -3.111 8.860 10.017 267 HB2 ASP 37 1HB ASP 37 -1.167 9.089 8.393 268 HB3 ASP 37 2HB ASP 37 -0.874 10.676 9.128 269 H ASN 38 H ASN 38 -2.893 12.323 9.361 270 HA ASN 38 HA ASN 38 -2.909 14.149 10.640 271 HB2 ASN 38 1HB ASN 38 -4.695 12.377 12.353 272 HB3 ASN 38 2HB ASN 38 -4.471 14.120 12.585 273 HD21 ASN 38 1HD2 ASN 38 -5.888 11.652 10.545 274 HD22 ASN 38 2HD2 ASN 38 -6.887 12.743 9.634 275 H LYS 39 H LYS 39 -3.196 13.657 13.821 276 HA LYS 39 HA LYS 39 -1.926 13.257 15.642 277 HB2 LYS 39 1HB LYS 39 -0.043 11.942 13.717 278 HB3 LYS 39 2HB LYS 39 0.127 11.981 15.477 279 HG2 LYS 39 1HG LYS 39 -1.509 10.434 15.790 280 HG3 LYS 39 2HG LYS 39 -2.365 10.954 14.321 281 HD2 LYS 39 1HD LYS 39 -1.303 8.683 14.133 282 HD3 LYS 39 2HD LYS 39 -0.828 9.856 12.908 283 HE2 LYS 39 1HE LYS 39 1.204 10.333 14.377 284 HE3 LYS 39 2HE LYS 39 0.757 8.878 15.268 285 HZ1 LYS 39 3HZ LYS 39 1.009 7.579 13.312 286 HZ2 LYS 39 1HZ LYS 39 2.401 8.531 13.461 287 HZ3 LYS 39 2HZ LYS 39 1.178 8.944 12.349 288 H VAL 40 H VAL 40 0.086 14.028 12.972 289 HA VAL 40 HA VAL 40 1.606 15.936 14.609 290 HB VAL 40 HB VAL 40 2.821 13.984 13.757 291 HG11 VAL 40 1HG1 VAL 40 3.293 13.682 11.375 292 HG12 VAL 40 2HG1 VAL 40 2.145 14.972 11.013 293 HG13 VAL 40 3HG1 VAL 40 1.587 13.490 11.785 294 HG21 VAL 40 3HG2 VAL 40 3.690 16.564 12.497 295 HG22 VAL 40 1HG2 VAL 40 4.728 15.146 12.678 296 HG23 VAL 40 2HG2 VAL 40 4.114 15.975 14.108 297 H LYS 41 H LYS 41 2.446 17.833 13.279 298 HA LYS 41 HA LYS 41 0.255 19.285 12.246 299 HB2 LYS 41 1HB LYS 41 3.203 19.919 11.969 300 HB3 LYS 41 2HB LYS 41 1.870 21.050 11.717 301 HG2 LYS 41 1HG LYS 41 1.236 20.847 14.052 302 HG3 LYS 41 2HG LYS 41 2.527 19.675 14.311 303 HD2 LYS 41 1HD LYS 41 4.168 21.416 13.657 304 HD3 LYS 41 2HD LYS 41 2.843 22.566 13.528 305 HE2 LYS 41 1HE LYS 41 3.973 22.783 15.690 306 HE3 LYS 41 2HE LYS 41 2.305 22.253 15.883 307 HZ1 LYS 41 3HZ LYS 41 4.684 20.463 15.992 308 HZ2 LYS 41 1HZ LYS 41 3.084 19.994 16.235 309 HZ3 LYS 41 2HZ LYS 41 3.837 21.023 17.322 310 H ASP 42 H ASP 42 3.088 17.938 10.576 311 HA ASP 42 HA ASP 42 1.377 17.495 8.274 312 HB2 ASP 42 1HB ASP 42 4.150 18.620 8.089 313 HB3 ASP 42 2HB ASP 42 3.227 17.994 6.743 314 H LYS 43 H LYS 43 2.202 15.864 6.955 315 HA LYS 43 HA LYS 43 3.438 13.870 8.657 316 HB2 LYS 43 1HB LYS 43 1.738 13.596 6.187 317 HB3 LYS 43 2HB LYS 43 2.511 12.245 7.017 318 HG2 LYS 43 1HG LYS 43 0.221 12.388 7.555 319 HG3 LYS 43 2HG LYS 43 1.159 12.717 9.030 320 HD2 LYS 43 1HD LYS 43 -0.765 14.179 8.948 321 HD3 LYS 43 2HD LYS 43 0.658 15.149 8.568 322 HE2 LYS 43 1HE LYS 43 0.141 15.037 6.195 323 HE3 LYS 43 2HE LYS 43 -1.226 13.975 6.517 324 HZ1 LYS 43 3HZ LYS 43 -1.938 16.262 6.169 325 HZ2 LYS 43 1HZ LYS 43 -0.986 16.797 7.442 326 HZ3 LYS 43 2HZ LYS 43 -2.269 15.790 7.757 327 H ALA 44 H ALA 44 3.586 15.131 5.375 328 HA ALA 44 HA ALA 44 6.053 13.656 4.937 329 HB1 ALA 44 3HB ALA 44 4.343 13.562 3.192 330 HB2 ALA 44 1HB ALA 44 5.825 14.317 2.602 331 HB3 ALA 44 2HB ALA 44 4.430 15.314 3.014 332 H GLU 45 H GLU 45 4.832 16.937 5.113 333 HA GLU 45 HA GLU 45 5.768 18.972 5.073 334 HB2 GLU 45 1HB GLU 45 8.153 17.537 6.286 335 HB3 GLU 45 2HB GLU 45 7.961 19.293 6.203 336 HG2 GLU 45 1HG GLU 45 5.964 19.119 7.569 337 HG3 GLU 45 2HG GLU 45 6.203 17.374 7.709 338 H GLU 46 H GLU 46 5.684 19.141 2.870 339 HA GLU 46 HA GLU 46 7.294 17.985 1.034 340 HB2 GLU 46 1HB GLU 46 5.101 19.076 0.736 341 HB3 GLU 46 2HB GLU 46 5.920 20.639 0.878 342 HG2 GLU 46 1HG GLU 46 7.299 20.051 -1.008 343 HG3 GLU 46 2HG GLU 46 6.404 18.528 -1.134 344 H GLU 47 H GLU 47 9.411 18.162 0.822 345 HA GLU 47 HA GLU 47 10.848 20.567 1.468 346 HB2 GLU 47 1HB GLU 47 11.642 18.396 2.160 347 HB3 GLU 47 2HB GLU 47 11.601 17.840 0.485 348 HG2 GLU 47 1HG GLU 47 13.742 18.291 1.275 349 HG3 GLU 47 2HG GLU 47 13.363 19.360 -0.094 350 H THR 48 H THR 48 10.406 18.324 -1.439 351 HA THR 48 HA THR 48 10.538 20.507 -3.130 352 HB THR 48 HB THR 48 12.889 19.793 -2.874 353 HG1 THR 48 HG1 THR 48 13.332 19.267 -4.965 354 HG21 THR 48 3HG2 THR 48 11.914 16.973 -3.424 355 HG22 THR 48 1HG2 THR 48 12.569 17.572 -1.899 356 HG23 THR 48 2HG2 THR 48 13.607 17.458 -3.320 357 H GLU 49 H GLU 49 10.815 18.374 -4.909 358 HA GLU 49 HA GLU 49 8.088 17.270 -4.800 359 HB2 GLU 49 1HB GLU 49 9.764 17.910 -7.206 360 HB3 GLU 49 2HB GLU 49 8.323 16.889 -7.295 361 HG2 GLU 49 1HG GLU 49 8.406 19.679 -6.243 362 HG3 GLU 49 2HG GLU 49 7.869 19.228 -7.878 363 H GLU 50 H GLU 50 7.838 15.283 -4.470 364 HA GLU 50 HA GLU 50 9.896 13.404 -5.302 365 HB2 GLU 50 1HB GLU 50 8.651 13.474 -2.557 366 HB3 GLU 50 2HB GLU 50 9.581 12.127 -3.181 367 HG2 GLU 50 1HG GLU 50 11.498 13.744 -3.461 368 HG3 GLU 50 2HG GLU 50 10.536 14.901 -2.542 369 H LYS 51 H LYS 51 9.165 11.412 -5.839 370 HA LYS 51 HA LYS 51 6.270 11.022 -5.858 371 HB2 LYS 51 1HB LYS 51 8.230 9.713 -7.759 372 HB3 LYS 51 2HB LYS 51 6.479 9.772 -7.876 373 HG2 LYS 51 1HG LYS 51 7.175 11.265 -9.558 374 HG3 LYS 51 2HG LYS 51 6.761 12.278 -8.167 375 HD2 LYS 51 1HD LYS 51 8.833 13.043 -9.254 376 HD3 LYS 51 2HD LYS 51 9.105 12.532 -7.589 377 HE2 LYS 51 1HE LYS 51 9.925 10.348 -8.440 378 HE3 LYS 51 2HE LYS 51 9.699 10.943 -10.085 379 HZ1 LYS 51 3HZ LYS 51 11.975 11.105 -9.317 380 HZ2 LYS 51 1HZ LYS 51 11.508 12.118 -8.055 381 HZ3 LYS 51 2HZ LYS 51 11.346 12.642 -9.652 382 HA PRO 52 HA PRO 52 8.219 7.878 -3.230 383 HB2 PRO 52 1HB PRO 52 6.307 7.787 -1.360 384 HB3 PRO 52 2HB PRO 52 7.472 9.129 -1.409 385 HG2 PRO 52 1HG PRO 52 4.666 9.027 -2.463 386 HG3 PRO 52 2HG PRO 52 5.428 10.268 -1.444 387 HD2 PRO 52 1HD PRO 52 5.241 10.553 -4.134 388 HD3 PRO 52 2HD PRO 52 6.615 11.154 -3.162 389 H SER 53 H SER 53 7.632 5.696 -2.963 390 HA SER 53 HA SER 53 5.989 4.778 -5.039 391 HG SER 53 HG SER 53 8.792 3.057 -2.859 392 HB2 SER 53 1HB SER 53 6.738 2.566 -3.940 393 HB3 SER 53 2HB SER 53 7.950 3.591 -4.730 394 H VAL 54 H VAL 54 4.098 3.819 -4.845 395 HA VAL 54 HA VAL 54 2.864 3.948 -2.164 396 HB VAL 54 HB VAL 54 1.233 4.379 -4.715 397 HG11 VAL 54 1HG1 VAL 54 0.537 4.843 -1.834 398 HG12 VAL 54 2HG1 VAL 54 0.124 3.404 -2.743 399 HG13 VAL 54 3HG1 VAL 54 -0.543 4.963 -3.235 400 HG21 VAL 54 3HG2 VAL 54 1.108 6.724 -4.072 401 HG22 VAL 54 1HG2 VAL 54 2.781 6.258 -4.380 402 HG23 VAL 54 2HG2 VAL 54 2.203 6.430 -2.720 403 H TRP 55 H TRP 55 2.613 2.253 -1.436 404 HA TRP 55 HA TRP 55 2.194 -0.129 -3.082 405 HD1 TRP 55 HD1 TRP 55 5.347 1.670 -1.126 406 HE1 TRP 55 HE1 TRP 55 7.511 1.083 -2.457 407 HE3 TRP 55 HE3 TRP 55 3.972 -2.845 -3.021 408 HZ2 TRP 55 HZ2 TRP 55 8.464 -0.985 -4.054 409 HZ3 TRP 55 HZ3 TRP 55 5.562 -4.071 -4.439 410 HH2 TRP 55 HH2 TRP 55 7.756 -3.151 -4.942 411 HB2 TRP 55 1HB TRP 55 3.322 0.130 -0.290 412 HB3 TRP 55 2HB TRP 55 3.068 -1.403 -1.132 413 H LEU 56 H LEU 56 0.412 -1.063 -2.925 414 HA LEU 56 HA LEU 56 -1.435 -0.306 -0.780 415 HG LEU 56 HG LEU 56 -3.656 -1.606 -1.161 416 HB2 LEU 56 1HB LEU 56 -2.344 0.228 -2.898 417 HB3 LEU 56 2HB LEU 56 -2.140 -1.410 -3.510 418 HD11 LEU 56 1HD1 LEU 56 -4.139 0.716 -1.210 419 HD12 LEU 56 2HD1 LEU 56 -5.591 -0.206 -1.600 420 HD13 LEU 56 3HD1 LEU 56 -4.698 0.615 -2.880 421 HD21 LEU 56 3HD2 LEU 56 -3.842 -3.081 -2.987 422 HD22 LEU 56 1HD2 LEU 56 -4.414 -1.795 -4.051 423 HD23 LEU 56 2HD2 LEU 56 -5.426 -2.349 -2.700 424 H CYS 57 H CYS 57 -1.897 -1.697 0.711 425 HA CYS 57 HA CYS 57 -0.986 -4.398 0.972 426 HB2 CYS 57 1HB CYS 57 -1.588 -2.704 2.806 427 HB3 CYS 57 2HB CYS 57 -3.264 -3.022 2.387 428 H LEU 58 H LEU 58 -1.737 -6.015 -0.351 429 HA LEU 58 HA LEU 58 -4.292 -5.900 -1.651 430 HG LEU 58 HG LEU 58 -1.136 -6.242 -2.167 431 HB2 LEU 58 1HB LEU 58 -2.362 -8.183 -1.338 432 HB3 LEU 58 2HB LEU 58 -3.561 -7.961 -2.606 433 HD11 LEU 58 1HD1 LEU 58 -1.807 -8.193 -4.307 434 HD12 LEU 58 2HD1 LEU 58 -0.523 -8.309 -3.070 435 HD13 LEU 58 3HD1 LEU 58 -0.477 -7.025 -4.320 436 HD21 LEU 58 3HD2 LEU 58 -2.975 -4.985 -2.908 437 HD22 LEU 58 1HD2 LEU 58 -3.271 -6.134 -4.226 438 HD23 LEU 58 2HD2 LEU 58 -1.762 -5.180 -4.180 439 H LYS 59 H LYS 59 -3.281 -6.650 1.155 440 HA LYS 59 HA LYS 59 -5.226 -8.645 1.827 441 HB2 LYS 59 1HB LYS 59 -3.129 -8.726 2.950 442 HB3 LYS 59 2HB LYS 59 -3.357 -7.110 3.627 443 HG2 LYS 59 1HG LYS 59 -3.828 -8.802 5.301 444 HG3 LYS 59 2HG LYS 59 -5.234 -7.844 4.757 445 HD2 LYS 59 1HD LYS 59 -6.127 -9.421 3.606 446 HD3 LYS 59 2HD LYS 59 -4.782 -10.491 3.355 447 HE2 LYS 59 1HE LYS 59 -6.248 -11.561 4.821 448 HE3 LYS 59 2HE LYS 59 -4.897 -10.934 5.838 449 HZ1 LYS 59 3HZ LYS 59 -7.701 -9.923 5.557 450 HZ2 LYS 59 1HZ LYS 59 -6.511 -9.052 6.379 451 HZ3 LYS 59 2HZ LYS 59 -6.998 -10.545 6.920 452 H CYS 60 H CYS 60 -4.872 -5.227 2.655 453 HA CYS 60 HA CYS 60 -7.735 -5.337 3.415 454 HB2 CYS 60 1HB CYS 60 -7.445 -3.932 5.299 455 HB3 CYS 60 2HB CYS 60 -6.231 -5.229 5.360 456 H GLY 61 H GLY 61 -5.661 -3.809 1.350 457 HA2 GLY 61 1HA GLY 61 -6.255 -2.191 -0.146 458 HA3 GLY 61 2HA GLY 61 -7.708 -1.850 0.810 459 H HIS 62 H HIS 62 -4.909 -1.973 2.654 460 HA HIS 62 HA HIS 62 -4.736 0.863 3.248 461 HD1 HIS 62 HD1 HIS 62 -2.347 1.591 5.813 462 HD2 HIS 62 HD2 HIS 62 -0.530 -0.753 2.896 463 HE1 HIS 62 HE1 HIS 62 0.058 2.334 5.660 464 HB2 HIS 62 1HB HIS 62 -3.829 -0.415 4.992 465 HB3 HIS 62 2HB HIS 62 -3.072 -1.570 3.892 466 H GLN 63 H GLN 63 -3.896 2.339 2.244 467 HA GLN 63 HA GLN 63 -2.029 1.557 0.218 468 HB2 GLN 63 1HB GLN 63 -4.149 2.645 -0.421 469 HB3 GLN 63 2HB GLN 63 -3.530 4.077 0.409 470 HG2 GLN 63 1HG GLN 63 -1.879 4.438 -1.174 471 HG3 GLN 63 2HG GLN 63 -2.091 2.793 -1.817 472 HE21 GLN 63 1HE2 GLN 63 -4.873 4.514 -1.003 473 HE22 GLN 63 2HE2 GLN 63 -5.302 4.898 -2.643 474 H GLY 64 H GLY 64 -0.116 2.029 0.731 475 HA2 GLY 64 1HA GLY 64 0.644 4.213 2.558 476 HA3 GLY 64 2HA GLY 64 1.242 2.563 2.684 477 H CYS 65 H CYS 65 2.783 4.678 2.500 478 HA CYS 65 HA CYS 65 3.798 4.614 -0.199 479 HB2 CYS 65 1HB CYS 65 5.121 6.621 0.526 480 HB3 CYS 65 2HB CYS 65 3.377 6.833 0.683 481 H GLY 66 H GLY 66 5.884 3.834 -0.529 482 HA2 GLY 66 1HA GLY 66 6.751 2.103 1.678 483 HA3 GLY 66 2HA GLY 66 7.055 1.805 -0.032 484 H ARG 67 H ARG 67 9.096 1.647 -0.167 485 HA ARG 67 HA ARG 67 11.014 2.691 1.570 486 HE ARG 67 HE ARG 67 15.493 0.883 -0.676 487 HB2 ARG 67 1HB ARG 67 11.285 0.610 0.481 488 HB3 ARG 67 2HB ARG 67 11.119 1.336 -1.092 489 HG2 ARG 67 1HG ARG 67 13.290 2.287 -0.968 490 HG3 ARG 67 2HG ARG 67 13.463 1.812 0.736 491 HD2 ARG 67 1HD ARG 67 13.417 -0.470 0.199 492 HD3 ARG 67 2HD ARG 67 12.906 -0.167 -1.456 493 HH11 ARG 67 1HH1 ARG 67 13.735 -1.838 -2.190 494 HH12 ARG 67 2HH1 ARG 67 15.086 -2.352 -3.093 495 HH21 ARG 67 1HH2 ARG 67 17.315 0.118 -1.974 496 HH22 ARG 67 2HH2 ARG 67 17.120 -1.258 -2.963 497 H ASN 68 H ASN 68 9.565 4.178 -1.133 498 HA ASN 68 HA ASN 68 11.831 5.976 -1.520 499 HB2 ASN 68 1HB ASN 68 9.271 5.616 -3.009 500 HB3 ASN 68 2HB ASN 68 10.323 7.012 -3.315 501 HD21 ASN 68 1HD2 ASN 68 10.701 6.349 -5.430 502 HD22 ASN 68 2HD2 ASN 68 11.704 4.966 -5.754 503 H SER 69 H SER 69 9.685 5.862 0.760 504 HA SER 69 HA SER 69 9.379 8.748 0.772 505 HG SER 69 HG SER 69 7.948 5.701 1.870 506 HB2 SER 69 1HB SER 69 7.415 8.464 2.136 507 HB3 SER 69 2HB SER 69 7.206 7.588 0.605 508 H GLN 70 H GLN 70 9.726 9.704 2.803 509 HA GLN 70 HA GLN 70 11.769 8.647 4.390 510 HB2 GLN 70 1HB GLN 70 11.406 10.638 5.761 511 HB3 GLN 70 2HB GLN 70 11.356 10.996 4.026 512 HG2 GLN 70 1HG GLN 70 8.843 10.878 4.200 513 HG3 GLN 70 2HG GLN 70 9.067 10.861 5.946 514 HE21 GLN 70 1HE2 GLN 70 9.830 12.690 6.964 515 HE22 GLN 70 2HE2 GLN 70 9.814 14.241 6.181 516 H GLU 71 H GLU 71 8.347 8.443 4.639 517 HA GLU 71 HA GLU 71 8.424 7.649 7.446 518 HB2 GLU 71 1HB GLU 71 6.123 8.090 5.575 519 HB3 GLU 71 2HB GLU 71 5.940 7.532 7.243 520 HG2 GLU 71 1HG GLU 71 7.172 10.129 6.361 521 HG3 GLU 71 2HG GLU 71 5.559 9.899 7.063 522 H GLN 72 H GLN 72 7.785 6.189 4.294 523 HA GLN 72 HA GLN 72 7.367 4.092 3.625 524 HB2 GLN 72 1HB GLN 72 9.698 4.228 4.383 525 HB3 GLN 72 2HB GLN 72 9.320 3.390 5.872 526 HG2 GLN 72 1HG GLN 72 8.583 1.457 4.599 527 HG3 GLN 72 2HG GLN 72 8.914 2.386 3.116 528 HE21 GLN 72 1HE2 GLN 72 11.243 3.628 3.863 529 HE22 GLN 72 2HE2 GLN 72 12.454 2.417 4.056 530 H HIS 73 H HIS 73 5.207 4.906 4.858 531 HA HIS 73 HA HIS 73 4.301 3.836 7.160 532 HD2 HIS 73 HD2 HIS 73 3.468 5.692 8.516 533 HE1 HIS 73 HE1 HIS 73 2.473 9.158 6.252 534 HE2 HIS 73 HE2 HIS 73 3.066 8.271 8.630 535 HB2 HIS 73 1HB HIS 73 3.098 4.881 4.664 536 HB3 HIS 73 2HB HIS 73 2.086 4.201 5.929 537 H ALA 74 H ALA 74 4.374 2.454 3.952 538 HA ALA 74 HA ALA 74 2.579 0.217 4.331 539 HB1 ALA 74 3HB ALA 74 5.008 0.432 2.550 540 HB2 ALA 74 1HB ALA 74 3.401 1.014 2.111 541 HB3 ALA 74 2HB ALA 74 3.671 -0.707 2.392 542 H LEU 75 H LEU 75 5.963 0.662 5.137 543 HA LEU 75 HA LEU 75 5.988 -2.086 5.765 544 HG LEU 75 HG LEU 75 7.812 -2.818 4.673 545 HB2 LEU 75 1HB LEU 75 8.130 -0.066 5.801 546 HB3 LEU 75 2HB LEU 75 8.320 -1.520 6.777 547 HD11 LEU 75 1HD1 LEU 75 8.318 -1.807 2.570 548 HD12 LEU 75 2HD1 LEU 75 8.515 -0.223 3.323 549 HD13 LEU 75 3HD1 LEU 75 6.922 -1.009 3.296 550 HD21 LEU 75 3HD2 LEU 75 10.237 -1.157 4.840 551 HD22 LEU 75 1HD2 LEU 75 10.106 -2.696 3.966 552 HD23 LEU 75 2HD2 LEU 75 9.915 -2.659 5.741 553 H LYS 76 H LYS 76 5.964 1.028 7.667 554 HA LYS 76 HA LYS 76 5.955 -0.045 10.133 555 HB2 LYS 76 1HB LYS 76 4.048 2.066 9.127 556 HB3 LYS 76 2HB LYS 76 4.674 1.874 10.770 557 HG2 LYS 76 1HG LYS 76 6.923 2.419 9.928 558 HG3 LYS 76 2HG LYS 76 6.224 2.689 8.324 559 HD2 LYS 76 1HD LYS 76 6.480 4.779 9.334 560 HD3 LYS 76 2HD LYS 76 4.748 4.403 9.373 561 HE2 LYS 76 1HE LYS 76 4.924 3.716 11.715 562 HE3 LYS 76 2HE LYS 76 6.662 4.048 11.686 563 HZ1 LYS 76 3HZ LYS 76 5.448 5.845 12.719 564 HZ2 LYS 76 1HZ LYS 76 4.494 6.048 11.352 565 HZ3 LYS 76 2HZ LYS 76 6.141 6.389 11.302 566 H HIS 77 H HIS 77 3.480 -0.154 7.648 567 HA HIS 77 HA HIS 77 1.398 -1.050 9.350 568 HD1 HIS 77 HD1 HIS 77 -1.378 -0.148 8.165 569 HD2 HIS 77 HD2 HIS 77 -0.010 -3.382 5.926 570 HE1 HIS 77 HE1 HIS 77 -3.389 -1.446 7.552 571 HB2 HIS 77 1HB HIS 77 1.012 0.126 7.268 572 HB3 HIS 77 2HB HIS 77 1.726 -1.203 6.347 573 H TYR 78 H TYR 78 3.814 -2.596 7.309 574 HA TYR 78 HA TYR 78 2.868 -5.206 7.837 575 HD1 TYR 78 HD2 TYR 78 3.554 -7.326 6.758 576 HD2 TYR 78 HD1 TYR 78 7.353 -5.518 7.412 577 HE1 TYR 78 HE2 TYR 78 4.578 -9.553 6.986 578 HE2 TYR 78 HE1 TYR 78 8.374 -7.723 7.645 579 HH TYR 78 HH TYR 78 7.774 -9.970 8.150 580 HB2 TYR 78 1HB TYR 78 4.231 -4.816 6.010 581 HB3 TYR 78 2HB TYR 78 5.541 -4.138 6.986 582 H LEU 79 H LEU 79 5.161 -3.022 9.591 583 HA LEU 79 HA LEU 79 5.934 -5.091 11.334 584 HG LEU 79 HG LEU 79 7.475 -3.024 9.430 585 HB2 LEU 79 1HB LEU 79 6.390 -2.117 11.367 586 HB3 LEU 79 2HB LEU 79 7.184 -3.301 12.410 587 HD11 LEU 79 1HD1 LEU 79 8.683 -1.356 10.678 588 HD12 LEU 79 2HD1 LEU 79 9.787 -2.516 9.944 589 HD13 LEU 79 3HD1 LEU 79 9.429 -2.610 11.669 590 HD21 LEU 79 3HD2 LEU 79 8.637 -5.070 11.308 591 HD22 LEU 79 1HD2 LEU 79 9.095 -4.863 9.604 592 HD23 LEU 79 2HD2 LEU 79 7.442 -5.327 10.036 593 H THR 80 H THR 80 3.244 -3.349 11.001 594 HA THR 80 HA THR 80 2.649 -2.663 13.720 595 HB THR 80 HB THR 80 0.726 -3.409 11.490 596 HG1 THR 80 HG1 THR 80 2.259 -1.382 11.558 597 HG21 THR 80 3HG2 THR 80 0.185 -1.981 14.103 598 HG22 THR 80 1HG2 THR 80 -0.337 -3.613 13.675 599 HG23 THR 80 2HG2 THR 80 -0.985 -2.227 12.800 600 HA PRO 81 HA PRO 81 2.289 -6.941 15.044 601 HB2 PRO 81 1HB PRO 81 1.447 -6.546 17.560 602 HB3 PRO 81 2HB PRO 81 3.130 -6.267 17.066 603 HG2 PRO 81 1HG PRO 81 0.905 -4.328 17.416 604 HG3 PRO 81 2HG PRO 81 2.623 -4.285 17.922 605 HD2 PRO 81 1HD PRO 81 1.684 -2.972 15.711 606 HD3 PRO 81 2HD PRO 81 3.348 -3.597 15.846 607 H ARG 82 H ARG 82 0.825 -7.734 14.145 608 HA ARG 82 HA ARG 82 -1.894 -7.657 15.152 609 HE ARG 82 HE ARG 82 -3.435 -5.430 11.557 610 HB2 ARG 82 1HB ARG 82 -2.797 -7.740 12.732 611 HB3 ARG 82 2HB ARG 82 -2.307 -6.186 13.413 612 HG2 ARG 82 1HG ARG 82 -0.286 -6.231 12.162 613 HG3 ARG 82 2HG ARG 82 -0.600 -7.889 11.620 614 HD2 ARG 82 1HD ARG 82 -1.128 -6.177 9.890 615 HD3 ARG 82 2HD ARG 82 -2.494 -7.174 10.370 616 HH11 ARG 82 1HH1 ARG 82 -0.542 -4.268 9.793 617 HH12 ARG 82 2HH1 ARG 82 -1.004 -2.640 9.903 618 HH21 ARG 82 1HH2 ARG 82 -4.027 -3.167 11.636 619 HH22 ARG 82 2HH2 ARG 82 -3.011 -1.977 10.988 620 H SER 83 H SER 83 -3.318 -9.408 14.196 621 HA SER 83 HA SER 83 -1.894 -11.874 14.558 622 HG SER 83 HG SER 83 -3.566 -10.529 16.015 623 HB2 SER 83 1HB SER 83 -4.817 -11.388 13.970 624 HB3 SER 83 2HB SER 83 -4.093 -12.864 14.609 625 H GLU 84 H GLU 84 -3.382 -10.097 11.942 626 HA GLU 84 HA GLU 84 -2.914 -12.288 10.084 627 HB2 GLU 84 1HB GLU 84 -3.992 -9.524 9.592 628 HB3 GLU 84 2HB GLU 84 -3.986 -10.898 8.463 629 HG2 GLU 84 1HG GLU 84 -5.527 -12.054 9.978 630 HG3 GLU 84 2HG GLU 84 -5.555 -10.616 11.004 631 HA PRO 85 HA PRO 85 0.949 -10.602 9.062 632 HB2 PRO 85 1HB PRO 85 1.322 -11.471 6.504 633 HB3 PRO 85 2HB PRO 85 1.436 -12.521 7.930 634 HG2 PRO 85 1HG PRO 85 -0.758 -12.212 5.950 635 HG3 PRO 85 2HG PRO 85 -0.212 -13.661 6.818 636 HD2 PRO 85 1HD PRO 85 -2.436 -12.152 7.474 637 HD3 PRO 85 2HD PRO 85 -1.578 -13.234 8.592 638 H HIS 86 H HIS 86 -1.485 -9.972 6.579 639 HA HIS 86 HA HIS 86 -1.784 -8.253 5.021 640 HD2 HIS 86 HD2 HIS 86 -2.998 -8.741 8.121 641 HE1 HIS 86 HE1 HIS 86 -5.719 -5.592 7.379 642 HE2 HIS 86 HE2 HIS 86 -5.420 -7.853 8.510 643 HB2 HIS 86 1HB HIS 86 -0.755 -6.762 7.444 644 HB3 HIS 86 2HB HIS 86 -1.281 -5.928 5.976 645 H CYS 87 H CYS 87 0.376 -9.647 4.471 646 HA CYS 87 HA CYS 87 2.653 -7.901 4.532 647 HG CYS 87 HG CYS 87 1.482 -11.357 2.869 648 HB2 CYS 87 1HB CYS 87 3.879 -9.980 3.786 649 HB3 CYS 87 2HB CYS 87 3.203 -9.842 5.416 650 H LEU 88 H LEU 88 0.409 -8.021 2.432 651 HA LEU 88 HA LEU 88 2.049 -8.248 0.004 652 HG LEU 88 HG LEU 88 1.274 -10.654 0.738 653 HB2 LEU 88 1HB LEU 88 -0.614 -9.347 0.640 654 HB3 LEU 88 2HB LEU 88 -0.288 -8.925 -1.012 655 HD11 LEU 88 1HD1 LEU 88 -0.485 -11.437 -1.606 656 HD12 LEU 88 2HD1 LEU 88 -0.810 -11.786 0.118 657 HD13 LEU 88 3HD1 LEU 88 0.586 -12.518 -0.703 658 HD21 LEU 88 3HD2 LEU 88 1.654 -10.058 -2.155 659 HD22 LEU 88 1HD2 LEU 88 2.374 -11.470 -1.386 660 HD23 LEU 88 2HD2 LEU 88 2.792 -9.860 -0.816 661 H VAL 89 H VAL 89 2.349 -6.837 -1.065 662 HA VAL 89 HA VAL 89 0.284 -4.799 -1.220 663 HB VAL 89 HB VAL 89 2.022 -3.042 -1.236 664 HG11 VAL 89 1HG1 VAL 89 0.849 -3.367 0.850 665 HG12 VAL 89 2HG1 VAL 89 2.562 -3.028 1.175 666 HG13 VAL 89 3HG1 VAL 89 1.955 -4.682 1.274 667 HG21 VAL 89 3HG2 VAL 89 4.273 -3.483 -0.480 668 HG22 VAL 89 1HG2 VAL 89 3.833 -4.444 -1.893 669 HG23 VAL 89 2HG2 VAL 89 3.878 -5.208 -0.296 670 H LEU 90 H LEU 90 0.132 -3.997 -3.252 671 HA LEU 90 HA LEU 90 2.189 -4.897 -5.059 672 HG LEU 90 HG LEU 90 -1.194 -3.254 -5.109 673 HB2 LEU 90 1HB LEU 90 0.704 -4.623 -6.920 674 HB3 LEU 90 2HB LEU 90 -0.143 -5.555 -5.696 675 HD11 LEU 90 1HD1 LEU 90 -1.470 -1.793 -7.037 676 HD12 LEU 90 2HD1 LEU 90 -0.290 -2.830 -7.885 677 HD13 LEU 90 3HD1 LEU 90 0.204 -1.934 -6.451 678 HD21 LEU 90 3HD2 LEU 90 -1.970 -4.642 -7.668 679 HD22 LEU 90 1HD2 LEU 90 -3.003 -3.595 -6.712 680 HD23 LEU 90 2HD2 LEU 90 -2.480 -5.151 -6.062 681 H SER 91 H SER 91 2.841 -3.254 -6.701 682 HA SER 91 HA SER 91 3.155 -0.731 -5.324 683 HG SER 91 HG SER 91 5.656 -2.140 -8.142 684 HB2 SER 91 1HB SER 91 5.183 -0.488 -6.561 685 HB3 SER 91 2HB SER 91 5.055 -2.209 -6.156 686 H LEU 92 H LEU 92 2.316 1.088 -6.120 687 HA LEU 92 HA LEU 92 0.741 0.964 -8.558 688 HG LEU 92 HG LEU 92 -0.379 0.970 -5.968 689 HB2 LEU 92 1HB LEU 92 1.145 3.031 -6.413 690 HB3 LEU 92 2HB LEU 92 0.123 3.294 -7.830 691 HD11 LEU 92 1HD1 LEU 92 -0.383 3.075 -4.683 692 HD12 LEU 92 2HD1 LEU 92 -1.968 2.314 -4.825 693 HD13 LEU 92 3HD1 LEU 92 -1.571 3.711 -5.827 694 HD21 LEU 92 3HD2 LEU 92 -1.427 1.089 -8.215 695 HD22 LEU 92 1HD2 LEU 92 -2.136 2.624 -7.689 696 HD23 LEU 92 2HD2 LEU 92 -2.561 1.115 -6.846 697 H ASP 93 H ASP 93 3.736 0.983 -8.262 698 HA ASP 93 HA ASP 93 4.355 3.382 -9.838 699 HB2 ASP 93 1HB ASP 93 6.125 1.724 -8.027 700 HB3 ASP 93 2HB ASP 93 6.772 2.896 -9.179 701 H ASN 94 H ASN 94 5.265 -0.031 -9.538 702 HA ASN 94 HA ASN 94 5.827 0.028 -12.443 703 HB2 ASN 94 1HB ASN 94 7.839 -0.312 -11.009 704 HB3 ASN 94 2HB ASN 94 7.075 -1.761 -10.339 705 HD21 ASN 94 1HD2 ASN 94 8.684 -3.092 -11.033 706 HD22 ASN 94 2HD2 ASN 94 8.927 -3.501 -12.704 707 H TRP 95 H TRP 95 3.808 -1.000 -10.088 708 HA TRP 95 HA TRP 95 2.239 -2.476 -9.785 709 HD1 TRP 95 HD1 TRP 95 2.173 -0.336 -13.465 710 HE1 TRP 95 HE1 TRP 95 0.334 1.417 -13.133 711 HE3 TRP 95 HE3 TRP 95 -0.691 -2.780 -10.013 712 HZ2 TRP 95 HZ2 TRP 95 -2.005 1.749 -11.622 713 HZ3 TRP 95 HZ3 TRP 95 -2.718 -1.665 -9.173 714 HH2 TRP 95 HH2 TRP 95 -3.356 0.553 -9.962 715 HB2 TRP 95 1HB TRP 95 2.401 -2.837 -12.780 716 HB3 TRP 95 2HB TRP 95 1.140 -3.552 -11.777 717 H SER 96 H SER 96 4.288 -3.412 -8.767 718 HA SER 96 HA SER 96 4.419 -6.180 -9.706 719 HG SER 96 HG SER 96 6.848 -5.530 -10.513 720 HB2 SER 96 1HB SER 96 6.327 -4.822 -7.814 721 HB3 SER 96 2HB SER 96 6.500 -6.398 -8.566 722 H VAL 97 H VAL 97 4.806 -7.615 -7.711 723 HA VAL 97 HA VAL 97 3.188 -6.589 -5.518 724 HB VAL 97 HB VAL 97 3.299 -9.338 -6.770 725 HG11 VAL 97 1HG1 VAL 97 3.777 -9.556 -4.412 726 HG12 VAL 97 2HG1 VAL 97 2.186 -10.220 -4.914 727 HG13 VAL 97 3HG1 VAL 97 2.287 -8.648 -4.056 728 HG21 VAL 97 3HG2 VAL 97 1.525 -7.816 -7.392 729 HG22 VAL 97 1HG2 VAL 97 1.062 -7.709 -5.675 730 HG23 VAL 97 2HG2 VAL 97 1.028 -9.275 -6.512 731 H TRP 98 H TRP 98 3.975 -6.897 -3.499 732 HA TRP 98 HA TRP 98 6.606 -8.135 -3.303 733 HD1 TRP 98 HD1 TRP 98 7.032 -6.598 0.492 734 HE1 TRP 98 HE1 TRP 98 9.480 -7.228 1.000 735 HE3 TRP 98 HE3 TRP 98 8.900 -6.474 -4.252 736 HZ2 TRP 98 HZ2 TRP 98 11.817 -7.617 -0.400 737 HZ3 TRP 98 HZ3 TRP 98 11.265 -6.981 -4.596 738 HH2 TRP 98 HH2 TRP 98 12.724 -7.539 -2.696 739 HB2 TRP 98 1HB TRP 98 6.694 -5.521 -3.115 740 HB3 TRP 98 2HB TRP 98 5.786 -5.774 -1.628 741 H CYS 99 H CYS 99 6.798 -9.596 -1.633 742 HA CYS 99 HA CYS 99 4.577 -9.544 0.240 743 HB2 CYS 99 1HB CYS 99 4.315 -11.519 -1.077 744 HB3 CYS 99 2HB CYS 99 6.009 -11.981 -0.916 745 H TYR 100 H TYR 100 5.251 -8.926 2.034 746 HA TYR 100 HA TYR 100 8.006 -8.391 2.465 747 HD1 TYR 100 HD2 TYR 100 8.134 -5.812 3.082 748 HD2 TYR 100 HD1 TYR 100 4.132 -7.066 3.733 749 HE1 TYR 100 HE2 TYR 100 7.371 -3.663 2.286 750 HE2 TYR 100 HE1 TYR 100 3.325 -4.845 2.921 751 HH TYR 100 HH TYR 100 5.328 -2.696 1.271 752 HB2 TYR 100 1HB TYR 100 5.762 -8.387 4.450 753 HB3 TYR 100 2HB TYR 100 7.381 -7.751 4.716 754 H VAL 101 H VAL 101 5.967 -11.001 3.369 755 HA VAL 101 HA VAL 101 7.887 -11.970 5.315 756 HB VAL 101 HB VAL 101 5.515 -12.184 5.859 757 HG11 VAL 101 1HG1 VAL 101 5.410 -13.960 3.480 758 HG12 VAL 101 2HG1 VAL 101 4.701 -12.371 3.636 759 HG13 VAL 101 3HG1 VAL 101 4.069 -13.721 4.616 760 HG21 VAL 101 3HG2 VAL 101 7.016 -13.854 6.820 761 HG22 VAL 101 1HG2 VAL 101 6.769 -14.894 5.417 762 HG23 VAL 101 2HG2 VAL 101 5.424 -14.547 6.508 763 H CYS 102 H CYS 102 7.123 -12.501 1.955 764 HA CYS 102 HA CYS 102 8.669 -14.960 1.766 765 HB2 CYS 102 1HB CYS 102 7.393 -13.069 -0.166 766 HB3 CYS 102 2HB CYS 102 8.702 -14.101 -0.735 767 H ASP 103 H ASP 103 8.823 -11.625 1.557 768 HA ASP 103 HA ASP 103 10.353 -10.049 1.513 769 HB2 ASP 103 1HB ASP 103 11.247 -11.277 3.403 770 HB3 ASP 103 2HB ASP 103 12.259 -12.260 2.332 771 H ASN 104 H ASN 104 9.579 -10.926 -0.913 772 HA ASN 104 HA ASN 104 11.789 -10.232 -2.437 773 HB2 ASN 104 1HB ASN 104 11.802 -12.155 -3.846 774 HB3 ASN 104 2HB ASN 104 11.919 -12.716 -2.162 775 HD21 ASN 104 1HD2 ASN 104 9.873 -12.373 -4.858 776 HD22 ASN 104 2HD2 ASN 104 8.549 -13.266 -4.253 777 H GLU 105 H GLU 105 10.760 -10.444 -4.828 778 HA GLU 105 HA GLU 105 8.350 -8.889 -4.887 779 HB2 GLU 105 1HB GLU 105 10.443 -8.439 -5.992 780 HB3 GLU 105 2HB GLU 105 10.195 -9.854 -7.005 781 HG2 GLU 105 1HG GLU 105 8.283 -9.001 -7.979 782 HG3 GLU 105 2HG GLU 105 8.227 -7.668 -6.812 783 H VAL 106 H VAL 106 6.409 -9.851 -5.627 784 HA VAL 106 HA VAL 106 6.582 -12.706 -6.251 785 HB VAL 106 HB VAL 106 4.011 -11.193 -5.637 786 HG11 VAL 106 1HG1 VAL 106 4.669 -14.128 -5.617 787 HG12 VAL 106 2HG1 VAL 106 3.727 -13.286 -6.847 788 HG13 VAL 106 3HG1 VAL 106 3.120 -13.406 -5.194 789 HG21 VAL 106 3HG2 VAL 106 4.199 -12.116 -3.375 790 HG22 VAL 106 1HG2 VAL 106 5.567 -11.063 -3.733 791 HG23 VAL 106 2HG2 VAL 106 5.769 -12.814 -3.776 792 H GLN 107 H GLN 107 6.262 -13.469 -8.240 793 HA GLN 107 HA GLN 107 5.175 -11.652 -10.244 794 HB2 GLN 107 1HB GLN 107 6.692 -14.235 -10.650 795 HB3 GLN 107 2HB GLN 107 6.026 -13.249 -11.947 796 HG2 GLN 107 1HG GLN 107 8.101 -12.399 -12.057 797 HG3 GLN 107 2HG GLN 107 7.614 -11.464 -10.645 798 HE21 GLN 107 1HE2 GLN 107 8.440 -12.011 -8.634 799 HE22 GLN 107 2HE2 GLN 107 9.721 -13.152 -8.456 800 H TYR 108 H TYR 108 3.190 -11.812 -10.050 801 HA TYR 108 HA TYR 108 1.634 -14.282 -9.798 802 HD1 TYR 108 HD1 TYR 108 2.291 -10.596 -8.388 803 HD2 TYR 108 HD2 TYR 108 -0.447 -11.023 -11.570 804 HE1 TYR 108 HE1 TYR 108 2.676 -8.335 -8.907 805 HE2 TYR 108 HE2 TYR 108 -0.093 -8.665 -12.205 806 HH TYR 108 HH TYR 108 2.441 -6.763 -10.885 807 HB2 TYR 108 1HB TYR 108 -0.284 -12.675 -9.811 808 HB3 TYR 108 2HB TYR 108 0.887 -12.474 -8.495 809 H CYS 109 H CYS 109 -0.153 -14.656 -11.158 810 HA CYS 109 HA CYS 109 -0.015 -13.590 -13.870 811 HG CYS 109 HG CYS 109 -0.225 -15.868 -16.266 812 HB2 CYS 109 1HB CYS 109 0.874 -15.854 -13.953 813 HB3 CYS 109 2HB CYS 109 -0.493 -16.456 -12.999 814 H SER 110 H SER 110 -2.114 -13.268 -14.761 815 HA SER 110 HA SER 110 -4.096 -12.620 -12.911 816 HG SER 110 HG SER 110 -4.117 -10.413 -14.784 817 HB2 SER 110 1HB SER 110 -4.258 -12.886 -15.910 818 HB3 SER 110 2HB SER 110 -5.412 -12.025 -14.885 819 H SER 111 H SER 111 -3.428 -15.646 -14.440 820 HA SER 111 HA SER 111 -6.027 -16.760 -14.292 821 HG SER 111 HG SER 111 -4.841 -17.211 -16.320 822 HB2 SER 111 1HB SER 111 -3.348 -18.153 -14.116 823 HB3 SER 111 2HB SER 111 -4.892 -18.869 -14.623 824 H ASN 112 H ASN 112 -3.491 -16.193 -12.004 825 HA ASN 112 HA ASN 112 -4.752 -17.894 -9.984 826 HB2 ASN 112 1HB ASN 112 -2.335 -18.191 -10.279 827 HB3 ASN 112 2HB ASN 112 -2.091 -16.457 -10.020 828 HD21 ASN 112 1HD2 ASN 112 -0.701 -16.864 -8.324 829 HD22 ASN 112 2HD2 ASN 112 -1.234 -17.421 -6.769 830 H GLN 113 H GLN 113 -5.317 -17.025 -7.988 831 HA GLN 113 HA GLN 113 -6.949 -14.898 -7.819 832 HB2 GLN 113 1HB GLN 113 -6.847 -16.514 -6.063 833 HB3 GLN 113 2HB GLN 113 -5.180 -16.067 -5.683 834 HG2 GLN 113 1HG GLN 113 -6.049 -13.811 -5.059 835 HG3 GLN 113 2HG GLN 113 -7.677 -14.496 -5.186 836 HE21 GLN 113 1HE2 GLN 113 -6.105 -13.415 -3.030 837 HE22 GLN 113 2HE2 GLN 113 -6.122 -14.533 -1.715 838 H LEU 114 H LEU 114 -3.366 -14.699 -7.219 839 HA LEU 114 HA LEU 114 -3.438 -12.101 -6.097 840 HG LEU 114 HG LEU 114 -0.407 -11.594 -7.104 841 HB2 LEU 114 1HB LEU 114 -1.768 -13.811 -5.618 842 HB3 LEU 114 2HB LEU 114 -1.294 -13.823 -7.316 843 HD11 LEU 114 1HD1 LEU 114 -0.314 -10.468 -4.921 844 HD12 LEU 114 2HD1 LEU 114 -1.306 -11.751 -4.223 845 HD13 LEU 114 3HD1 LEU 114 -1.976 -10.691 -5.470 846 HD21 LEU 114 3HD2 LEU 114 0.478 -13.381 -4.868 847 HD22 LEU 114 1HD2 LEU 114 1.408 -12.067 -5.581 848 HD23 LEU 114 2HD2 LEU 114 0.995 -13.483 -6.551 849 H GLY 115 H GLY 115 -2.878 -13.412 -9.276 850 HA2 GLY 115 1HA GLY 115 -2.282 -10.839 -10.400 851 HA3 GLY 115 2HA GLY 115 -2.647 -12.300 -11.328 852 H GLN 116 H GLN 116 -5.285 -12.892 -10.066 853 HA GLN 116 HA GLN 116 -7.008 -11.434 -11.597 854 HB2 GLN 116 1HB GLN 116 -7.568 -12.691 -8.903 855 HB3 GLN 116 2HB GLN 116 -8.754 -12.330 -10.156 856 HG2 GLN 116 1HG GLN 116 -7.532 -13.898 -11.587 857 HG3 GLN 116 2HG GLN 116 -6.604 -14.362 -10.170 858 HE21 GLN 116 1HE2 GLN 116 -7.421 -16.410 -10.315 859 HE22 GLN 116 2HE2 GLN 116 -8.998 -16.849 -9.730 860 H VAL 117 H VAL 117 -5.856 -10.900 -8.337 861 HA VAL 117 HA VAL 117 -7.819 -8.938 -8.040 862 HB VAL 117 HB VAL 117 -5.916 -10.110 -6.097 863 HG11 VAL 117 1HG1 VAL 117 -7.294 -7.455 -5.599 864 HG12 VAL 117 2HG1 VAL 117 -5.571 -7.651 -5.878 865 HG13 VAL 117 3HG1 VAL 117 -6.309 -8.364 -4.431 866 HG21 VAL 117 3HG2 VAL 117 -8.091 -9.972 -4.795 867 HG22 VAL 117 1HG2 VAL 117 -8.029 -11.000 -6.260 868 HG23 VAL 117 2HG2 VAL 117 -8.763 -9.383 -6.304 869 H VAL 118 H VAL 118 -4.243 -8.955 -8.315 870 HA VAL 118 HA VAL 118 -3.847 -6.242 -8.315 871 HB VAL 118 HB VAL 118 -2.526 -8.351 -10.031 872 HG11 VAL 118 1HG1 VAL 118 -1.625 -5.486 -9.521 873 HG12 VAL 118 2HG1 VAL 118 -2.208 -6.124 -11.055 874 HG13 VAL 118 3HG1 VAL 118 -0.692 -6.714 -10.377 875 HG21 VAL 118 3HG2 VAL 118 -0.696 -8.148 -8.423 876 HG22 VAL 118 1HG2 VAL 118 -2.200 -8.648 -7.634 877 HG23 VAL 118 2HG2 VAL 118 -1.641 -6.969 -7.517 878 H ASP 119 H ASP 119 -5.176 -8.245 -10.842 879 HA ASP 119 HA ASP 119 -5.093 -6.250 -12.882 880 HB2 ASP 119 1HB ASP 119 -5.334 -8.700 -13.387 881 HB3 ASP 119 2HB ASP 119 -6.878 -8.652 -12.551 882 H TYR 120 H TYR 120 -7.389 -7.383 -10.553 883 HA TYR 120 HA TYR 120 -9.599 -5.794 -11.320 884 HD1 TYR 120 HD2 TYR 120 -12.176 -5.738 -9.680 885 HD2 TYR 120 HD1 TYR 120 -9.080 -6.389 -6.837 886 HE1 TYR 120 HE2 TYR 120 -13.441 -4.533 -8.009 887 HE2 TYR 120 HE1 TYR 120 -10.313 -5.227 -5.185 888 HH TYR 120 HH TYR 120 -12.098 -3.466 -5.111 889 HB2 TYR 120 1HB TYR 120 -10.303 -7.564 -9.930 890 HB3 TYR 120 2HB TYR 120 -8.896 -7.391 -8.873 891 H VAL 121 H VAL 121 -7.096 -5.347 -8.916 892 HA VAL 121 HA VAL 121 -8.125 -2.901 -7.910 893 HB VAL 121 HB VAL 121 -5.408 -4.251 -7.633 894 HG11 VAL 121 1HG1 VAL 121 -6.535 -1.972 -6.056 895 HG12 VAL 121 2HG1 VAL 121 -5.217 -1.865 -7.226 896 HG13 VAL 121 3HG1 VAL 121 -5.012 -2.803 -5.740 897 HG21 VAL 121 3HG2 VAL 121 -7.139 -5.561 -6.667 898 HG22 VAL 121 1HG2 VAL 121 -7.784 -4.161 -5.813 899 HG23 VAL 121 2HG2 VAL 121 -6.203 -4.808 -5.370 900 H ARG 122 H ARG 122 -5.917 -3.822 -10.399 901 HA ARG 122 HA ARG 122 -4.943 -1.194 -10.838 902 HE ARG 122 HE ARG 122 -3.887 -3.807 -14.649 903 HB2 ARG 122 1HB ARG 122 -3.815 -3.318 -11.557 904 HB3 ARG 122 2HB ARG 122 -5.054 -3.449 -12.811 905 HG2 ARG 122 1HG ARG 122 -4.304 -1.526 -13.904 906 HG3 ARG 122 2HG ARG 122 -3.357 -1.037 -12.491 907 HD2 ARG 122 1HD ARG 122 -1.880 -1.972 -14.224 908 HD3 ARG 122 2HD ARG 122 -1.942 -2.992 -12.791 909 HH11 ARG 122 1HH1 ARG 122 -0.376 -3.935 -14.180 910 HH12 ARG 122 2HH1 ARG 122 -0.211 -5.493 -14.818 911 HH21 ARG 122 1HH2 ARG 122 -3.649 -5.935 -15.580 912 HH22 ARG 122 2HH2 ARG 122 -2.105 -6.656 -15.671 913 H LYS 123 H LYS 123 -7.789 -3.031 -11.987 914 HA LYS 123 HA LYS 123 -8.458 -1.007 -13.756 915 HB2 LYS 123 1HB LYS 123 -10.145 -3.125 -12.495 916 HB3 LYS 123 2HB LYS 123 -10.645 -2.082 -13.826 917 HG2 LYS 123 1HG LYS 123 -8.344 -2.918 -14.759 918 HG3 LYS 123 2HG LYS 123 -8.758 -4.320 -13.774 919 HD2 LYS 123 1HD LYS 123 -9.738 -4.888 -15.797 920 HD3 LYS 123 2HD LYS 123 -11.051 -4.139 -14.863 921 HE2 LYS 123 1HE LYS 123 -9.405 -2.680 -16.934 922 HE3 LYS 123 2HE LYS 123 -10.936 -3.456 -17.291 923 HZ1 LYS 123 3HZ LYS 123 -11.981 -1.913 -15.658 924 HZ2 LYS 123 1HZ LYS 123 -11.264 -1.130 -16.962 925 HZ3 LYS 123 2HZ LYS 123 -10.487 -1.100 -15.504 926 H GLN 124 H GLN 124 -8.682 -1.487 -10.459 927 HA GLN 124 HA GLN 124 -10.919 0.168 -9.884 928 HB2 GLN 124 1HB GLN 124 -8.695 -0.580 -8.002 929 HB3 GLN 124 2HB GLN 124 -10.030 0.469 -7.524 930 HG2 GLN 124 1HG GLN 124 -9.952 -2.461 -7.837 931 HG3 GLN 124 2HG GLN 124 -10.914 -1.370 -6.824 932 HE21 GLN 124 1HE2 GLN 124 -10.614 -2.887 -9.805 933 HE22 GLN 124 2HE2 GLN 124 -12.238 -2.726 -10.311 934 H ALA 125 H ALA 125 -7.504 0.537 -9.523 935 HA ALA 125 HA ALA 125 -7.406 3.299 -8.954 936 HB1 ALA 125 3HB ALA 125 -5.307 1.431 -10.044 937 HB2 ALA 125 1HB ALA 125 -5.734 1.674 -8.347 938 HB3 ALA 125 2HB ALA 125 -5.024 3.008 -9.275 939 H SER 126 H SER 126 -6.824 1.375 -11.801 940 HA SER 126 HA SER 126 -6.378 1.862 -13.941 941 HG SER 126 HG SER 126 -8.774 3.483 -15.634 942 HB2 SER 126 1HB SER 126 -8.852 1.639 -13.649 943 HB3 SER 126 2HB SER 126 -8.970 3.389 -13.588 Start of MODEL 4 1 HA PRO 5 HA PRO 5 10.315 -21.054 0.504 2 HB2 PRO 5 1HB PRO 5 10.325 -18.733 -1.046 3 HB3 PRO 5 2HB PRO 5 11.755 -19.388 -0.223 4 HG2 PRO 5 1HG PRO 5 10.906 -19.687 -3.081 5 HG3 PRO 5 2HG PRO 5 12.550 -19.486 -2.412 6 HD2 PRO 5 1HD PRO 5 11.586 -21.797 -3.304 7 HD3 PRO 5 2HD PRO 5 12.673 -21.735 -1.896 8 H VAL 6 H VAL 6 8.997 -20.460 -2.635 9 HA VAL 6 HA VAL 6 7.006 -20.370 -3.508 10 HB VAL 6 HB VAL 6 7.072 -22.682 -2.532 11 HG11 VAL 6 1HG1 VAL 6 5.398 -23.322 -0.878 12 HG12 VAL 6 2HG1 VAL 6 5.092 -21.615 -0.553 13 HG13 VAL 6 3HG1 VAL 6 6.679 -22.307 -0.215 14 HG21 VAL 6 3HG2 VAL 6 4.453 -21.428 -3.127 15 HG22 VAL 6 1HG2 VAL 6 4.778 -23.177 -3.119 16 HG23 VAL 6 2HG2 VAL 6 5.643 -22.116 -4.255 17 H CYS 7 H CYS 7 5.009 -19.331 -3.624 18 HA CYS 7 HA CYS 7 4.546 -17.816 -1.233 19 HB2 CYS 7 1HB CYS 7 5.149 -16.445 -3.340 20 HB3 CYS 7 2HB CYS 7 3.494 -16.819 -3.854 21 H ARG 8 H ARG 8 3.277 -19.053 -0.250 22 HA ARG 8 HA ARG 8 0.759 -19.878 -1.506 23 HE ARG 8 HE ARG 8 1.796 -24.005 -2.660 24 HB2 ARG 8 1HB ARG 8 2.395 -21.004 0.739 25 HB3 ARG 8 2HB ARG 8 0.675 -21.384 0.560 26 HG2 ARG 8 1HG ARG 8 2.703 -21.761 -1.583 27 HG3 ARG 8 2HG ARG 8 2.220 -23.067 -0.464 28 HD2 ARG 8 1HD ARG 8 -0.142 -22.625 -1.230 29 HD3 ARG 8 2HD ARG 8 0.535 -21.534 -2.428 30 HH11 ARG 8 1HH1 ARG 8 -1.338 -22.504 -3.275 31 HH12 ARG 8 2HH1 ARG 8 -1.847 -23.637 -4.426 32 HH21 ARG 8 1HH2 ARG 8 1.137 -25.567 -4.270 33 HH22 ARG 8 2HH2 ARG 8 -0.360 -25.426 -5.057 34 H HIS 9 H HIS 9 1.534 -17.229 -0.515 35 HA HIS 9 HA HIS 9 0.167 -17.084 2.022 36 HD2 HIS 9 HD2 HIS 9 2.310 -17.844 3.634 37 HE1 HIS 9 HE1 HIS 9 6.053 -17.492 1.716 38 HE2 HIS 9 HE2 HIS 9 4.750 -18.705 3.513 39 HB2 HIS 9 1HB HIS 9 2.138 -15.128 0.801 40 HB3 HIS 9 2HB HIS 9 1.537 -15.151 2.466 41 H ILE 10 H ILE 10 -0.637 -17.109 -0.914 42 HA ILE 10 HA ILE 10 -0.975 -14.551 -1.705 43 HB ILE 10 HB ILE 10 -2.543 -16.961 -2.662 44 HG12 ILE 10 1HG1 ILE 10 -0.092 -17.295 -2.880 45 HG13 ILE 10 2HG1 ILE 10 -0.852 -17.100 -4.468 46 HG21 ILE 10 1HG2 ILE 10 -3.661 -14.995 -3.399 47 HG22 ILE 10 2HG2 ILE 10 -2.803 -15.685 -4.784 48 HG23 ILE 10 3HG2 ILE 10 -2.147 -14.282 -3.935 49 HD11 ILE 10 3HD1 ILE 10 -0.019 -14.799 -4.521 50 HD12 ILE 10 1HD1 ILE 10 1.268 -16.001 -4.286 51 HD13 ILE 10 2HD1 ILE 10 0.680 -15.070 -2.909 52 H ARG 11 H ARG 11 -3.040 -17.050 -0.485 53 HA ARG 11 HA ARG 11 -5.481 -15.606 -0.264 54 HE ARG 11 HE ARG 11 -6.231 -20.061 -2.524 55 HB2 ARG 11 1HB ARG 11 -4.547 -18.051 1.155 56 HB3 ARG 11 2HB ARG 11 -6.230 -17.524 1.088 57 HG2 ARG 11 1HG ARG 11 -6.296 -17.871 -1.292 58 HG3 ARG 11 2HG ARG 11 -4.560 -18.233 -1.319 59 HD2 ARG 11 1HD ARG 11 -5.011 -20.187 0.120 60 HD3 ARG 11 2HD ARG 11 -6.742 -19.863 -0.020 61 HH11 ARG 11 1HH1 ARG 11 -4.791 -22.048 0.053 62 HH12 ARG 11 2HH1 ARG 11 -4.407 -23.350 -0.972 63 HH21 ARG 11 1HH2 ARG 11 -5.676 -21.913 -3.940 64 HH22 ARG 11 2HH2 ARG 11 -4.898 -23.270 -3.264 65 H LYS 12 H LYS 12 -2.743 -16.012 1.809 66 HA LYS 12 HA LYS 12 -4.006 -15.223 4.226 67 HB2 LYS 12 1HB LYS 12 -1.103 -15.434 3.536 68 HB3 LYS 12 2HB LYS 12 -1.822 -15.398 5.146 69 HG2 LYS 12 1HG LYS 12 -2.957 -17.499 4.712 70 HG3 LYS 12 2HG LYS 12 -2.288 -17.523 3.070 71 HD2 LYS 12 1HD LYS 12 -1.000 -18.960 4.435 72 HD3 LYS 12 2HD LYS 12 -0.061 -17.498 4.057 73 HE2 LYS 12 1HE LYS 12 -0.624 -16.569 6.218 74 HE3 LYS 12 2HE LYS 12 -1.556 -18.017 6.602 75 HZ1 LYS 12 3HZ LYS 12 0.645 -18.092 7.618 76 HZ2 LYS 12 1HZ LYS 12 1.378 -17.925 6.126 77 HZ3 LYS 12 2HZ LYS 12 0.510 -19.315 6.500 78 H GLY 13 H GLY 13 -2.201 -13.783 1.683 79 HA2 GLY 13 1HA GLY 13 -1.739 -11.218 3.102 80 HA3 GLY 13 2HA GLY 13 -0.939 -11.810 1.670 81 H LEU 14 H LEU 14 -3.879 -12.609 0.932 82 HA LEU 14 HA LEU 14 -4.643 -9.960 0.017 83 HG LEU 14 HG LEU 14 -4.943 -9.723 -2.524 84 HB2 LEU 14 1HB LEU 14 -3.304 -11.307 -1.605 85 HB3 LEU 14 2HB LEU 14 -4.571 -12.518 -1.552 86 HD11 LEU 14 1HD1 LEU 14 -4.705 -10.710 -4.767 87 HD12 LEU 14 2HD1 LEU 14 -4.368 -12.271 -4.011 88 HD13 LEU 14 3HD1 LEU 14 -3.247 -10.929 -3.797 89 HD21 LEU 14 3HD2 LEU 14 -6.588 -12.231 -2.775 90 HD22 LEU 14 1HD2 LEU 14 -6.782 -10.808 -3.791 91 HD23 LEU 14 2HD2 LEU 14 -7.062 -10.687 -2.049 92 H GLU 15 H GLU 15 -6.721 -9.633 0.496 93 HA GLU 15 HA GLU 15 -8.352 -11.993 0.858 94 HB2 GLU 15 1HB GLU 15 -7.668 -10.755 3.069 95 HB3 GLU 15 2HB GLU 15 -8.852 -9.562 2.549 96 HG2 GLU 15 1HG GLU 15 -9.366 -12.447 3.049 97 HG3 GLU 15 2HG GLU 15 -9.679 -11.119 4.164 98 H GLN 16 H GLN 16 -9.484 -11.779 -1.007 99 HA GLN 16 HA GLN 16 -9.821 -9.528 -2.496 100 HB2 GLN 16 1HB GLN 16 -11.847 -11.740 -2.609 101 HB3 GLN 16 2HB GLN 16 -11.319 -10.626 -3.868 102 HG2 GLN 16 1HG GLN 16 -9.113 -11.666 -3.878 103 HG3 GLN 16 2HG GLN 16 -9.650 -12.802 -2.629 104 HE21 GLN 16 1HE2 GLN 16 -11.550 -11.677 -5.378 105 HE22 GLN 16 2HE2 GLN 16 -11.640 -13.206 -6.161 106 H GLY 17 H GLY 17 -11.990 -10.849 -0.020 107 HA2 GLY 17 1HA GLY 17 -14.358 -9.536 -0.711 108 HA3 GLY 17 2HA GLY 17 -13.958 -10.208 0.871 109 H ASN 18 H ASN 18 -11.999 -8.660 1.801 110 HA ASN 18 HA ASN 18 -13.514 -6.301 2.349 111 HB2 ASN 18 1HB ASN 18 -11.976 -5.813 4.165 112 HB3 ASN 18 2HB ASN 18 -12.040 -7.568 4.044 113 HD21 ASN 18 1HD2 ASN 18 -10.259 -8.039 2.020 114 HD22 ASN 18 2HD2 ASN 18 -8.746 -7.507 2.667 115 H LEU 19 H LEU 19 -11.174 -7.067 0.062 116 HA LEU 19 HA LEU 19 -9.882 -4.609 -0.387 117 HG LEU 19 HG LEU 19 -8.303 -7.496 -2.066 118 HB2 LEU 19 1HB LEU 19 -10.450 -7.007 -2.057 119 HB3 LEU 19 2HB LEU 19 -9.893 -5.532 -2.835 120 HD11 LEU 19 1HD1 LEU 19 -7.720 -4.551 -1.948 121 HD12 LEU 19 2HD1 LEU 19 -7.563 -5.639 -3.359 122 HD13 LEU 19 3HD1 LEU 19 -6.484 -5.818 -1.953 123 HD21 LEU 19 3HD2 LEU 19 -7.097 -6.913 -0.060 124 HD22 LEU 19 1HD2 LEU 19 -8.788 -7.255 0.290 125 HD23 LEU 19 2HD2 LEU 19 -8.215 -5.578 0.239 126 H LYS 20 H LYS 20 -12.881 -5.953 -1.870 127 HA LYS 20 HA LYS 20 -13.338 -3.788 -3.633 128 HB2 LYS 20 1HB LYS 20 -15.180 -5.795 -2.332 129 HB3 LYS 20 2HB LYS 20 -15.771 -4.556 -3.416 130 HG2 LYS 20 1HG LYS 20 -15.601 -6.643 -4.567 131 HG3 LYS 20 2HG LYS 20 -14.395 -5.526 -5.225 132 HD2 LYS 20 1HD LYS 20 -12.685 -6.647 -3.874 133 HD3 LYS 20 2HD LYS 20 -13.908 -7.768 -3.261 134 HE2 LYS 20 1HE LYS 20 -13.062 -7.456 -6.145 135 HE3 LYS 20 2HE LYS 20 -12.566 -8.756 -5.051 136 HZ1 LYS 20 3HZ LYS 20 -15.323 -8.216 -6.018 137 HZ2 LYS 20 1HZ LYS 20 -14.899 -9.443 -4.917 138 HZ3 LYS 20 2HZ LYS 20 -14.307 -9.491 -6.482 139 H LYS 21 H LYS 21 -14.036 -4.147 -0.271 140 HA LYS 21 HA LYS 21 -15.901 -1.938 -0.289 141 HB2 LYS 21 1HB LYS 21 -14.774 -3.633 1.929 142 HB3 LYS 21 2HB LYS 21 -16.076 -2.453 2.109 143 HG2 LYS 21 1HG LYS 21 -17.560 -3.695 0.853 144 HG3 LYS 21 2HG LYS 21 -16.264 -4.636 0.095 145 HD2 LYS 21 1HD LYS 21 -15.822 -5.720 2.137 146 HD3 LYS 21 2HD LYS 21 -17.078 -4.794 2.987 147 HE2 LYS 21 1HE LYS 21 -18.759 -5.740 1.454 148 HE3 LYS 21 2HE LYS 21 -17.498 -6.665 0.647 149 HZ1 LYS 21 3HZ LYS 21 -18.352 -7.014 3.477 150 HZ2 LYS 21 1HZ LYS 21 -17.123 -7.866 2.686 151 HZ3 LYS 21 2HZ LYS 21 -18.704 -8.025 2.168 152 H ALA 22 H ALA 22 -12.550 -2.514 0.281 153 HA ALA 22 HA ALA 22 -12.169 -0.045 1.711 154 HB1 ALA 22 3HB ALA 22 -10.182 -1.962 0.512 155 HB2 ALA 22 1HB ALA 22 -10.765 -2.001 2.172 156 HB3 ALA 22 2HB ALA 22 -9.806 -0.632 1.607 157 H LEU 23 H LEU 23 -11.689 -1.319 -1.540 158 HA LEU 23 HA LEU 23 -10.309 1.050 -2.475 159 HG LEU 23 HG LEU 23 -10.435 -2.378 -2.937 160 HB2 LEU 23 1HB LEU 23 -11.655 -0.917 -4.263 161 HB3 LEU 23 2HB LEU 23 -10.242 0.076 -4.600 162 HD11 LEU 23 1HD1 LEU 23 -10.260 -2.807 -5.251 163 HD12 LEU 23 2HD1 LEU 23 -8.813 -3.311 -4.390 164 HD13 LEU 23 3HD1 LEU 23 -8.788 -1.830 -5.356 165 HD21 LEU 23 3HD2 LEU 23 -8.100 -2.229 -2.344 166 HD22 LEU 23 1HD2 LEU 23 -8.993 -0.848 -1.736 167 HD23 LEU 23 2HD2 LEU 23 -7.945 -0.676 -3.172 168 H VAL 24 H VAL 24 -13.494 0.356 -1.952 169 HA VAL 24 HA VAL 24 -14.724 2.169 -3.718 170 HB VAL 24 HB VAL 24 -15.414 1.514 -0.842 171 HG11 VAL 24 1HG1 VAL 24 -16.269 3.672 -1.425 172 HG12 VAL 24 2HG1 VAL 24 -17.603 2.515 -1.265 173 HG13 VAL 24 3HG1 VAL 24 -17.047 3.029 -2.873 174 HG21 VAL 24 3HG2 VAL 24 -15.583 -0.358 -2.341 175 HG22 VAL 24 1HG2 VAL 24 -16.572 0.582 -3.459 176 HG23 VAL 24 2HG2 VAL 24 -17.195 0.176 -1.857 177 H ASN 25 H ASN 25 -13.091 2.642 -0.648 178 HA ASN 25 HA ASN 25 -13.798 5.489 -0.580 179 HB2 ASN 25 1HB ASN 25 -12.777 3.620 1.539 180 HB3 ASN 25 2HB ASN 25 -13.093 5.343 1.813 181 HD21 ASN 25 1HD2 ASN 25 -14.426 2.154 1.437 182 HD22 ASN 25 2HD2 ASN 25 -16.041 2.578 1.860 183 H VAL 26 H VAL 26 -11.396 3.836 -1.838 184 HA VAL 26 HA VAL 26 -9.100 4.911 -0.484 185 HB VAL 26 HB VAL 26 -7.779 4.106 -2.417 186 HG11 VAL 26 1HG1 VAL 26 -7.951 2.770 -0.523 187 HG12 VAL 26 2HG1 VAL 26 -8.117 1.744 -1.961 188 HG13 VAL 26 3HG1 VAL 26 -9.548 2.174 -0.992 189 HG21 VAL 26 3HG2 VAL 26 -8.845 2.588 -3.989 190 HG22 VAL 26 1HG2 VAL 26 -9.412 4.251 -4.138 191 HG23 VAL 26 2HG2 VAL 26 -10.419 3.050 -3.336 192 H GLU 27 H GLU 27 -7.597 6.216 -1.184 193 HA GLU 27 HA GLU 27 -8.085 7.786 -3.564 194 HB2 GLU 27 1HB GLU 27 -6.086 9.081 -2.623 195 HB3 GLU 27 2HB GLU 27 -7.676 9.495 -2.023 196 HG2 GLU 27 1HG GLU 27 -5.867 7.537 -0.691 197 HG3 GLU 27 2HG GLU 27 -5.749 9.298 -0.502 198 H TRP 28 H TRP 28 -7.292 6.766 -4.939 199 HA TRP 28 HA TRP 28 -5.175 4.933 -4.838 200 HD1 TRP 28 HD1 TRP 28 -8.716 4.822 -7.158 201 HE1 TRP 28 HE1 TRP 28 -9.380 2.384 -6.636 202 HE3 TRP 28 HE3 TRP 28 -4.202 3.102 -5.690 203 HZ2 TRP 28 HZ2 TRP 28 -8.119 0.092 -5.790 204 HZ3 TRP 28 HZ3 TRP 28 -4.001 0.760 -5.002 205 HH2 TRP 28 HH2 TRP 28 -5.921 -0.709 -5.031 206 HB2 TRP 28 1HB TRP 28 -6.643 6.193 -7.014 207 HB3 TRP 28 2HB TRP 28 -5.240 5.223 -7.453 208 H ASN 29 H ASN 29 -3.230 4.994 -4.842 209 HA ASN 29 HA ASN 29 -1.068 5.517 -5.125 210 HB2 ASN 29 1HB ASN 29 -2.039 6.263 -7.386 211 HB3 ASN 29 2HB ASN 29 -1.766 7.897 -6.798 212 HD21 ASN 29 1HD2 ASN 29 0.268 5.085 -6.291 213 HD22 ASN 29 2HD2 ASN 29 1.604 5.808 -7.117 214 H ILE 30 H ILE 30 -3.033 6.803 -3.303 215 HA ILE 30 HA ILE 30 -1.178 8.791 -2.260 216 HB ILE 30 HB ILE 30 -4.193 8.787 -1.934 217 HG12 ILE 30 1HG1 ILE 30 -2.406 10.704 -3.439 218 HG13 ILE 30 2HG1 ILE 30 -3.542 9.561 -4.174 219 HG21 ILE 30 1HG2 ILE 30 -3.046 9.595 0.078 220 HG22 ILE 30 2HG2 ILE 30 -3.869 10.926 -0.726 221 HG23 ILE 30 3HG2 ILE 30 -2.124 10.745 -0.892 222 HD11 ILE 30 3HD1 ILE 30 -4.234 11.871 -2.394 223 HD12 ILE 30 1HD1 ILE 30 -5.380 10.817 -3.207 224 HD13 ILE 30 2HD1 ILE 30 -4.335 11.883 -4.157 225 H CYS 31 H CYS 31 -0.241 7.772 -0.754 226 HA CYS 31 HA CYS 31 -1.248 5.647 0.759 227 HB2 CYS 31 1HB CYS 31 1.068 5.847 0.946 228 HB3 CYS 31 2HB CYS 31 1.083 7.532 1.399 229 H GLN 32 H GLN 32 -2.992 5.680 1.670 230 HA GLN 32 HA GLN 32 -4.508 7.816 2.765 231 HB2 GLN 32 1HB GLN 32 -4.715 5.046 3.880 232 HB3 GLN 32 2HB GLN 32 -6.009 6.198 3.555 233 HG2 GLN 32 1HG GLN 32 -5.495 5.903 1.177 234 HG3 GLN 32 2HG GLN 32 -4.499 4.519 1.653 235 HE21 GLN 32 1HE2 GLN 32 -7.680 5.761 1.493 236 HE22 GLN 32 2HE2 GLN 32 -8.504 4.280 1.890 237 H ASP 33 H ASP 33 -2.126 5.825 3.984 238 HA ASP 33 HA ASP 33 -2.561 6.502 6.755 239 HB2 ASP 33 1HB ASP 33 -1.436 4.369 5.790 240 HB3 ASP 33 2HB ASP 33 0.037 5.348 5.764 241 H CYS 34 H CYS 34 -0.988 8.183 4.100 242 HA CYS 34 HA CYS 34 0.647 9.797 5.722 243 HB2 CYS 34 1HB CYS 34 0.060 9.339 2.922 244 HB3 CYS 34 2HB CYS 34 0.454 10.990 3.340 245 H LYS 35 H LYS 35 -2.462 9.848 4.237 246 HA LYS 35 HA LYS 35 -2.800 12.701 4.149 247 HB2 LYS 35 1HB LYS 35 -5.104 12.283 3.675 248 HB3 LYS 35 2HB LYS 35 -4.094 11.190 2.705 249 HG2 LYS 35 1HG LYS 35 -4.592 9.419 4.282 250 HG3 LYS 35 2HG LYS 35 -5.543 10.560 5.242 251 HD2 LYS 35 1HD LYS 35 -6.066 9.764 2.433 252 HD3 LYS 35 2HD LYS 35 -6.873 9.097 3.874 253 HE2 LYS 35 1HE LYS 35 -7.589 11.480 4.389 254 HE3 LYS 35 2HE LYS 35 -7.013 11.901 2.773 255 HZ1 LYS 35 3HZ LYS 35 -8.549 10.269 1.861 256 HZ2 LYS 35 1HZ LYS 35 -9.392 11.459 2.730 257 HZ3 LYS 35 2HZ LYS 35 -9.127 9.935 3.397 258 H THR 36 H THR 36 -3.266 10.336 6.489 259 HA THR 36 HA THR 36 -5.012 11.838 8.133 260 HB THR 36 HB THR 36 -4.548 9.846 9.703 261 HG1 THR 36 HG1 THR 36 -3.525 8.124 8.779 262 HG21 THR 36 3HG2 THR 36 -6.594 10.105 8.374 263 HG22 THR 36 1HG2 THR 36 -6.070 8.424 8.402 264 HG23 THR 36 2HG2 THR 36 -5.774 9.408 6.975 265 H ASP 37 H ASP 37 -1.953 12.245 7.438 266 HA ASP 37 HA ASP 37 -1.090 12.788 10.183 267 HB2 ASP 37 1HB ASP 37 0.487 11.646 8.569 268 HB3 ASP 37 2HB ASP 37 0.563 13.176 7.688 269 H ASN 38 H ASN 38 -2.800 14.376 10.215 270 HA ASN 38 HA ASN 38 -2.136 16.793 8.775 271 HB2 ASN 38 1HB ASN 38 -4.389 16.132 8.976 272 HB3 ASN 38 2HB ASN 38 -4.320 16.419 10.740 273 HD21 ASN 38 1HD2 ASN 38 -4.379 17.935 7.592 274 HD22 ASN 38 2HD2 ASN 38 -4.700 19.552 8.126 275 H LYS 39 H LYS 39 -0.378 16.448 9.815 276 HA LYS 39 HA LYS 39 0.048 18.278 12.132 277 HB2 LYS 39 1HB LYS 39 2.007 16.345 10.853 278 HB3 LYS 39 2HB LYS 39 2.308 17.270 12.320 279 HG2 LYS 39 1HG LYS 39 0.618 16.005 13.480 280 HG3 LYS 39 2HG LYS 39 0.310 15.077 12.003 281 HD2 LYS 39 1HD LYS 39 2.630 14.435 11.936 282 HD3 LYS 39 2HD LYS 39 2.930 15.282 13.452 283 HE2 LYS 39 1HE LYS 39 0.986 13.041 13.064 284 HE3 LYS 39 2HE LYS 39 2.618 12.844 13.717 285 HZ1 LYS 39 3HZ LYS 39 0.404 14.410 14.961 286 HZ2 LYS 39 1HZ LYS 39 1.977 14.279 15.559 287 HZ3 LYS 39 2HZ LYS 39 1.008 12.927 15.496 288 H VAL 40 H VAL 40 0.942 17.255 8.965 289 HA VAL 40 HA VAL 40 1.996 19.875 8.308 290 HB VAL 40 HB VAL 40 2.902 18.751 6.321 291 HG11 VAL 40 1HG1 VAL 40 3.727 17.546 8.956 292 HG12 VAL 40 2HG1 VAL 40 4.328 19.048 8.253 293 HG13 VAL 40 3HG1 VAL 40 4.698 17.504 7.485 294 HG21 VAL 40 3HG2 VAL 40 1.940 16.206 7.633 295 HG22 VAL 40 1HG2 VAL 40 2.991 16.286 6.218 296 HG23 VAL 40 2HG2 VAL 40 1.339 16.895 6.125 297 H LYS 41 H LYS 41 1.515 20.171 5.767 298 HA LYS 41 HA LYS 41 -1.348 20.478 5.715 299 HB2 LYS 41 1HB LYS 41 0.804 21.315 3.792 300 HB3 LYS 41 2HB LYS 41 -0.918 21.669 3.545 301 HG2 LYS 41 1HG LYS 41 0.869 22.546 5.779 302 HG3 LYS 41 2HG LYS 41 0.366 23.523 4.403 303 HD2 LYS 41 1HD LYS 41 -1.964 23.205 5.105 304 HD3 LYS 41 2HD LYS 41 -1.376 22.365 6.545 305 HE2 LYS 41 1HE LYS 41 -1.745 24.650 7.187 306 HE3 LYS 41 2HE LYS 41 -0.013 24.321 7.054 307 HZ1 LYS 41 3HZ LYS 41 0.065 25.405 4.941 308 HZ2 LYS 41 1HZ LYS 41 -0.594 26.444 6.069 309 HZ3 LYS 41 2HZ LYS 41 -1.599 25.698 4.941 310 H ASP 42 H ASP 42 1.046 18.823 3.698 311 HA ASP 42 HA ASP 42 -0.967 16.872 2.945 312 HB2 ASP 42 1HB ASP 42 0.627 18.430 0.884 313 HB3 ASP 42 2HB ASP 42 -0.305 16.975 0.553 314 H LYS 43 H LYS 43 0.165 15.121 1.693 315 HA LYS 43 HA LYS 43 2.888 14.903 2.690 316 HB2 LYS 43 1HB LYS 43 0.686 12.923 2.634 317 HB3 LYS 43 2HB LYS 43 2.361 12.356 2.541 318 HG2 LYS 43 1HG LYS 43 1.224 14.094 4.715 319 HG3 LYS 43 2HG LYS 43 1.405 12.331 4.817 320 HD2 LYS 43 1HD LYS 43 3.812 12.658 4.303 321 HD3 LYS 43 2HD LYS 43 3.567 14.392 4.495 322 HE2 LYS 43 1HE LYS 43 2.782 14.018 6.785 323 HE3 LYS 43 2HE LYS 43 3.064 12.288 6.586 324 HZ1 LYS 43 3HZ LYS 43 5.445 12.899 6.113 325 HZ2 LYS 43 1HZ LYS 43 4.907 13.181 7.698 326 HZ3 LYS 43 2HZ LYS 43 5.046 14.462 6.631 327 H ALA 44 H ALA 44 1.370 15.522 0.047 328 HA ALA 44 HA ALA 44 2.443 13.753 -1.860 329 HB1 ALA 44 3HB ALA 44 0.635 15.319 -2.396 330 HB2 ALA 44 1HB ALA 44 2.010 15.554 -3.475 331 HB3 ALA 44 2HB ALA 44 1.730 16.671 -2.136 332 H GLU 45 H GLU 45 3.479 16.944 -0.778 333 HA GLU 45 HA GLU 45 5.507 17.942 -0.489 334 HB2 GLU 45 1HB GLU 45 6.507 15.089 -0.389 335 HB3 GLU 45 2HB GLU 45 7.366 16.518 0.199 336 HG2 GLU 45 1HG GLU 45 4.712 15.592 1.268 337 HG3 GLU 45 2HG GLU 45 6.262 15.142 1.967 338 H GLU 46 H GLU 46 4.623 17.141 -3.239 339 HA GLU 46 HA GLU 46 7.094 16.499 -4.538 340 HB2 GLU 46 1HB GLU 46 5.674 16.401 -6.646 341 HB3 GLU 46 2HB GLU 46 5.359 15.197 -5.394 342 HG2 GLU 46 1HG GLU 46 3.421 16.524 -4.657 343 HG3 GLU 46 2HG GLU 46 3.749 17.677 -5.947 344 H GLU 47 H GLU 47 8.205 18.343 -4.058 345 HA GLU 47 HA GLU 47 8.306 19.999 -6.323 346 HB2 GLU 47 1HB GLU 47 8.364 22.111 -5.096 347 HB3 GLU 47 2HB GLU 47 6.752 21.384 -5.210 348 HG2 GLU 47 1HG GLU 47 6.953 20.626 -2.964 349 HG3 GLU 47 2HG GLU 47 8.606 21.279 -2.883 350 H THR 48 H THR 48 9.604 19.675 -3.012 351 HA THR 48 HA THR 48 12.224 20.369 -4.011 352 HB THR 48 HB THR 48 11.326 19.369 -1.301 353 HG1 THR 48 HG1 THR 48 11.292 21.830 -2.502 354 HG21 THR 48 3HG2 THR 48 13.972 20.559 -2.170 355 HG22 THR 48 1HG2 THR 48 13.675 18.886 -1.698 356 HG23 THR 48 2HG2 THR 48 13.522 20.176 -0.504 357 H GLU 49 H GLU 49 10.799 17.512 -2.415 358 HA GLU 49 HA GLU 49 12.151 15.757 -4.163 359 HB2 GLU 49 1HB GLU 49 13.482 16.582 -1.759 360 HB3 GLU 49 2HB GLU 49 13.052 14.867 -1.645 361 HG2 GLU 49 1HG GLU 49 14.607 16.204 -3.825 362 HG3 GLU 49 2HG GLU 49 15.246 15.084 -2.609 363 H GLU 50 H GLU 50 12.086 13.559 -2.661 364 HA GLU 50 HA GLU 50 10.839 11.892 -1.893 365 HB2 GLU 50 1HB GLU 50 9.154 14.058 -0.680 366 HB3 GLU 50 2HB GLU 50 8.914 12.341 -0.387 367 HG2 GLU 50 1HG GLU 50 11.070 12.155 0.579 368 HG3 GLU 50 2HG GLU 50 11.443 13.826 0.158 369 H LYS 51 H LYS 51 10.377 11.304 -3.973 370 HA LYS 51 HA LYS 51 7.515 11.401 -4.410 371 HB2 LYS 51 1HB LYS 51 9.642 11.020 -6.515 372 HB3 LYS 51 2HB LYS 51 7.902 10.937 -6.805 373 HG2 LYS 51 1HG LYS 51 8.166 13.152 -7.408 374 HG3 LYS 51 2HG LYS 51 8.045 13.279 -5.642 375 HD2 LYS 51 1HD LYS 51 9.863 14.671 -6.459 376 HD3 LYS 51 2HD LYS 51 10.447 13.381 -5.412 377 HE2 LYS 51 1HE LYS 51 11.150 12.093 -7.350 378 HE3 LYS 51 2HE LYS 51 10.463 13.304 -8.428 379 HZ1 LYS 51 3HZ LYS 51 12.068 14.885 -7.655 380 HZ2 LYS 51 1HZ LYS 51 12.866 13.512 -8.190 381 HZ3 LYS 51 2HZ LYS 51 12.716 13.812 -6.536 382 HA PRO 52 HA PRO 52 8.687 7.239 -3.083 383 HB2 PRO 52 1HB PRO 52 6.704 6.890 -1.378 384 HB3 PRO 52 2HB PRO 52 8.008 8.039 -1.011 385 HG2 PRO 52 1HG PRO 52 5.282 8.575 -2.142 386 HG3 PRO 52 2HG PRO 52 6.083 9.352 -0.758 387 HD2 PRO 52 1HD PRO 52 6.143 10.449 -3.268 388 HD3 PRO 52 2HD PRO 52 7.461 10.580 -2.067 389 H SER 53 H SER 53 7.681 5.214 -3.254 390 HA SER 53 HA SER 53 5.712 4.991 -5.288 391 HG SER 53 HG SER 53 8.570 2.671 -3.874 392 HB2 SER 53 1HB SER 53 6.238 2.520 -4.726 393 HB3 SER 53 2HB SER 53 7.513 3.486 -5.491 394 H VAL 54 H VAL 54 3.869 3.801 -4.901 395 HA VAL 54 HA VAL 54 2.986 3.868 -2.078 396 HB VAL 54 HB VAL 54 1.183 4.448 -4.450 397 HG11 VAL 54 1HG1 VAL 54 0.082 3.259 -2.559 398 HG12 VAL 54 2HG1 VAL 54 -0.536 4.893 -2.786 399 HG13 VAL 54 3HG1 VAL 54 0.606 4.550 -1.479 400 HG21 VAL 54 3HG2 VAL 54 2.164 6.245 -2.248 401 HG22 VAL 54 1HG2 VAL 54 1.060 6.684 -3.557 402 HG23 VAL 54 2HG2 VAL 54 2.746 6.250 -3.905 403 H TRP 55 H TRP 55 2.672 2.112 -1.380 404 HA TRP 55 HA TRP 55 2.033 -0.111 -3.162 405 HD1 TRP 55 HD1 TRP 55 5.180 1.568 -1.668 406 HE1 TRP 55 HE1 TRP 55 7.298 1.021 -3.035 407 HE3 TRP 55 HE3 TRP 55 4.071 -3.225 -3.012 408 HZ2 TRP 55 HZ2 TRP 55 8.367 -1.165 -4.462 409 HZ3 TRP 55 HZ3 TRP 55 5.693 -4.482 -4.367 410 HH2 TRP 55 HH2 TRP 55 7.794 -3.468 -5.081 411 HB2 TRP 55 1HB TRP 55 3.383 -0.225 -0.447 412 HB3 TRP 55 2HB TRP 55 2.994 -1.619 -1.466 413 H LEU 56 H LEU 56 0.360 -1.139 -2.971 414 HA LEU 56 HA LEU 56 -1.591 -0.372 -0.933 415 HG LEU 56 HG LEU 56 -3.652 -2.028 -1.417 416 HB2 LEU 56 1HB LEU 56 -2.426 -0.039 -3.114 417 HB3 LEU 56 2HB LEU 56 -2.057 -1.683 -3.621 418 HD11 LEU 56 1HD1 LEU 56 -4.222 0.248 -1.236 419 HD12 LEU 56 2HD1 LEU 56 -5.630 -0.681 -1.758 420 HD13 LEU 56 3HD1 LEU 56 -4.743 0.302 -2.918 421 HD21 LEU 56 3HD2 LEU 56 -5.378 -2.701 -3.000 422 HD22 LEU 56 1HD2 LEU 56 -3.764 -3.321 -3.372 423 HD23 LEU 56 2HD2 LEU 56 -4.413 -1.958 -4.302 424 H CYS 57 H CYS 57 -2.061 -1.729 0.570 425 HA CYS 57 HA CYS 57 -1.033 -4.380 0.932 426 HB2 CYS 57 1HB CYS 57 -1.825 -2.649 2.653 427 HB3 CYS 57 2HB CYS 57 -3.447 -3.141 2.210 428 H LEU 58 H LEU 58 -1.669 -6.075 -0.433 429 HA LEU 58 HA LEU 58 -4.159 -6.101 -1.799 430 HG LEU 58 HG LEU 58 -1.907 -5.927 -3.035 431 HB2 LEU 58 1HB LEU 58 -1.878 -7.963 -1.308 432 HB3 LEU 58 2HB LEU 58 -3.281 -8.451 -2.242 433 HD11 LEU 58 1HD1 LEU 58 -0.423 -7.166 -4.445 434 HD12 LEU 58 2HD1 LEU 58 -0.958 -8.703 -3.719 435 HD13 LEU 58 3HD1 LEU 58 -0.093 -7.491 -2.746 436 HD21 LEU 58 3HD2 LEU 58 -2.586 -6.757 -5.236 437 HD22 LEU 58 1HD2 LEU 58 -3.955 -6.578 -4.125 438 HD23 LEU 58 2HD2 LEU 58 -3.283 -8.177 -4.456 439 H LYS 59 H LYS 59 -3.265 -6.715 1.180 440 HA LYS 59 HA LYS 59 -5.201 -8.745 1.749 441 HB2 LYS 59 1HB LYS 59 -3.177 -8.850 2.949 442 HB3 LYS 59 2HB LYS 59 -3.356 -7.227 3.608 443 HG2 LYS 59 1HG LYS 59 -3.978 -8.679 5.335 444 HG3 LYS 59 2HG LYS 59 -5.431 -8.001 4.539 445 HD2 LYS 59 1HD LYS 59 -5.884 -10.009 3.397 446 HD3 LYS 59 2HD LYS 59 -4.315 -10.713 3.759 447 HE2 LYS 59 1HE LYS 59 -5.902 -11.809 5.104 448 HE3 LYS 59 2HE LYS 59 -4.965 -10.732 6.152 449 HZ1 LYS 59 3HZ LYS 59 -7.790 -10.510 5.295 450 HZ2 LYS 59 1HZ LYS 59 -6.935 -9.128 5.795 451 HZ3 LYS 59 2HZ LYS 59 -7.126 -10.393 6.828 452 H CYS 60 H CYS 60 -4.902 -5.313 2.496 453 HA CYS 60 HA CYS 60 -7.813 -5.357 3.181 454 HB2 CYS 60 1HB CYS 60 -7.540 -3.940 5.058 455 HB3 CYS 60 2HB CYS 60 -6.324 -5.230 5.155 456 H GLY 61 H GLY 61 -5.723 -3.929 1.094 457 HA2 GLY 61 1HA GLY 61 -6.271 -2.393 -0.502 458 HA3 GLY 61 2HA GLY 61 -7.812 -2.107 0.320 459 H HIS 62 H HIS 62 -5.098 -1.895 2.194 460 HA HIS 62 HA HIS 62 -5.163 1.020 2.619 461 HD1 HIS 62 HD1 HIS 62 -3.012 1.972 5.448 462 HD2 HIS 62 HD2 HIS 62 -1.026 -0.795 3.063 463 HE1 HIS 62 HE1 HIS 62 -0.508 2.465 5.616 464 HB2 HIS 62 1HB HIS 62 -4.537 0.024 4.612 465 HB3 HIS 62 2HB HIS 62 -3.735 -1.320 3.801 466 H GLN 63 H GLN 63 -4.121 2.526 1.624 467 HA GLN 63 HA GLN 63 -1.813 1.677 0.117 468 HB2 GLN 63 1HB GLN 63 -3.232 4.309 -0.024 469 HB3 GLN 63 2HB GLN 63 -1.651 4.051 -0.734 470 HG2 GLN 63 1HG GLN 63 -2.817 3.627 -2.490 471 HG3 GLN 63 2HG GLN 63 -2.900 2.015 -1.803 472 HE21 GLN 63 1HE2 GLN 63 -4.808 3.380 -3.548 473 HE22 GLN 63 2HE2 GLN 63 -6.319 3.335 -2.687 474 H GLY 64 H GLY 64 -0.029 1.960 0.719 475 HA2 GLY 64 1HA GLY 64 0.709 3.992 2.684 476 HA3 GLY 64 2HA GLY 64 1.296 2.331 2.794 477 H CYS 65 H CYS 65 2.749 4.701 2.611 478 HA CYS 65 HA CYS 65 3.773 4.846 -0.058 479 HB2 CYS 65 1HB CYS 65 5.255 6.611 0.969 480 HB3 CYS 65 2HB CYS 65 3.523 6.886 1.104 481 H GLY 66 H GLY 66 5.613 4.010 -0.707 482 HA2 GLY 66 1HA GLY 66 6.436 1.694 0.740 483 HA3 GLY 66 2HA GLY 66 6.932 2.175 -0.879 484 H ARG 67 H ARG 67 8.891 1.590 -0.572 485 HA ARG 67 HA ARG 67 10.512 2.026 1.710 486 HE ARG 67 HE ARG 67 12.377 -1.575 1.053 487 HB2 ARG 67 1HB ARG 67 11.348 1.265 -1.065 488 HB3 ARG 67 2HB ARG 67 12.187 0.893 0.436 489 HG2 ARG 67 1HG ARG 67 10.291 -0.496 1.136 490 HG3 ARG 67 2HG ARG 67 9.483 -0.093 -0.383 491 HD2 ARG 67 1HD ARG 67 10.456 -2.252 -0.655 492 HD3 ARG 67 2HD ARG 67 11.403 -1.086 -1.583 493 HH11 ARG 67 1HH1 ARG 67 12.578 -2.509 -2.351 494 HH12 ARG 67 2HH1 ARG 67 13.973 -3.476 -2.140 495 HH21 ARG 67 1HH2 ARG 67 14.280 -2.871 1.336 496 HH22 ARG 67 2HH2 ARG 67 14.994 -3.652 0.001 497 H ASN 68 H ASN 68 9.687 4.011 -0.803 498 HA ASN 68 HA ASN 68 12.234 5.463 -0.805 499 HB2 ASN 68 1HB ASN 68 9.916 5.527 -2.699 500 HB3 ASN 68 2HB ASN 68 11.397 6.484 -2.885 501 HD21 ASN 68 1HD2 ASN 68 10.214 4.408 -4.573 502 HD22 ASN 68 2HD2 ASN 68 11.425 3.192 -4.746 503 H SER 69 H SER 69 9.794 5.566 1.101 504 HA SER 69 HA SER 69 9.430 8.457 0.866 505 HG SER 69 HG SER 69 7.862 5.369 1.971 506 HB2 SER 69 1HB SER 69 7.450 8.154 2.295 507 HB3 SER 69 2HB SER 69 7.315 7.224 0.790 508 H GLN 70 H GLN 70 9.420 9.581 3.016 509 HA GLN 70 HA GLN 70 11.546 8.571 4.663 510 HB2 GLN 70 1HB GLN 70 11.328 10.970 4.132 511 HB3 GLN 70 2HB GLN 70 9.773 11.002 4.968 512 HG2 GLN 70 1HG GLN 70 11.535 11.961 6.354 513 HG3 GLN 70 2HG GLN 70 10.902 10.482 7.070 514 HE21 GLN 70 1HE2 GLN 70 12.176 8.702 7.161 515 HE22 GLN 70 2HE2 GLN 70 13.896 8.737 6.914 516 H GLU 71 H GLU 71 8.159 8.531 4.588 517 HA GLU 71 HA GLU 71 7.762 8.107 7.422 518 HB2 GLU 71 1HB GLU 71 5.874 8.058 5.079 519 HB3 GLU 71 2HB GLU 71 5.386 7.863 6.766 520 HG2 GLU 71 1HG GLU 71 6.860 10.284 5.774 521 HG3 GLU 71 2HG GLU 71 5.094 10.157 5.749 522 H GLN 72 H GLN 72 7.799 6.184 4.442 523 HA GLN 72 HA GLN 72 7.392 4.062 3.975 524 HB2 GLN 72 1HB GLN 72 9.250 3.814 6.338 525 HB3 GLN 72 2HB GLN 72 8.797 2.416 5.369 526 HG2 GLN 72 1HG GLN 72 9.647 3.639 3.361 527 HG3 GLN 72 2HG GLN 72 10.313 4.840 4.463 528 HE21 GLN 72 1HE2 GLN 72 10.452 1.630 3.422 529 HE22 GLN 72 2HE2 GLN 72 12.066 1.442 4.041 530 H HIS 73 H HIS 73 5.125 4.904 5.051 531 HA HIS 73 HA HIS 73 4.213 3.701 7.311 532 HD2 HIS 73 HD2 HIS 73 3.374 5.565 8.810 533 HE1 HIS 73 HE1 HIS 73 2.394 9.072 6.584 534 HE2 HIS 73 HE2 HIS 73 2.928 8.148 8.968 535 HB2 HIS 73 1HB HIS 73 2.975 4.884 4.905 536 HB3 HIS 73 2HB HIS 73 2.018 4.144 6.177 537 H ALA 74 H ALA 74 4.387 2.464 4.014 538 HA ALA 74 HA ALA 74 2.566 0.196 4.387 539 HB1 ALA 74 3HB ALA 74 4.883 0.492 2.465 540 HB2 ALA 74 1HB ALA 74 3.252 1.072 2.134 541 HB3 ALA 74 2HB ALA 74 3.546 -0.653 2.351 542 H LEU 75 H LEU 75 5.945 0.713 4.917 543 HA LEU 75 HA LEU 75 6.528 -2.031 5.517 544 HG LEU 75 HG LEU 75 9.758 -0.152 4.585 545 HB2 LEU 75 1HB LEU 75 8.011 0.540 6.169 546 HB3 LEU 75 2HB LEU 75 8.632 -1.071 6.508 547 HD11 LEU 75 1HD1 LEU 75 9.333 -1.839 2.927 548 HD12 LEU 75 2HD1 LEU 75 7.837 -2.276 3.761 549 HD13 LEU 75 3HD1 LEU 75 9.401 -2.504 4.563 550 HD21 LEU 75 3HD2 LEU 75 7.054 0.116 3.270 551 HD22 LEU 75 1HD2 LEU 75 8.606 0.381 2.484 552 HD23 LEU 75 2HD2 LEU 75 8.080 1.453 3.780 553 H LYS 76 H LYS 76 6.077 0.943 7.527 554 HA LYS 76 HA LYS 76 6.011 -0.258 9.912 555 HB2 LYS 76 1HB LYS 76 4.633 2.182 8.856 556 HB3 LYS 76 2HB LYS 76 4.712 1.743 10.579 557 HG2 LYS 76 1HG LYS 76 7.075 1.737 10.478 558 HG3 LYS 76 2HG LYS 76 7.029 2.077 8.743 559 HD2 LYS 76 1HD LYS 76 6.024 4.217 9.165 560 HD3 LYS 76 2HD LYS 76 5.982 3.874 10.911 561 HE2 LYS 76 1HE LYS 76 8.293 3.510 10.886 562 HE3 LYS 76 2HE LYS 76 8.415 3.945 9.179 563 HZ1 LYS 76 3HZ LYS 76 7.547 6.156 9.669 564 HZ2 LYS 76 1HZ LYS 76 8.969 5.920 10.526 565 HZ3 LYS 76 2HZ LYS 76 7.478 5.827 11.304 566 H HIS 77 H HIS 77 3.530 -0.171 7.439 567 HA HIS 77 HA HIS 77 1.389 -0.831 9.113 568 HD1 HIS 77 HD1 HIS 77 -1.414 -0.106 7.996 569 HD2 HIS 77 HD2 HIS 77 -0.094 -3.290 5.664 570 HE1 HIS 77 HE1 HIS 77 -3.461 -1.419 7.383 571 HB2 HIS 77 1HB HIS 77 0.966 0.192 6.984 572 HB3 HIS 77 2HB HIS 77 1.666 -1.166 6.104 573 H TYR 78 H TYR 78 3.665 -2.609 7.240 574 HA TYR 78 HA TYR 78 2.608 -5.207 7.965 575 HD1 TYR 78 HD1 TYR 78 2.824 -7.169 6.643 576 HD2 TYR 78 HD2 TYR 78 6.830 -6.288 7.780 577 HE1 TYR 78 HE1 TYR 78 3.245 -9.553 6.968 578 HE2 TYR 78 HE2 TYR 78 7.264 -8.699 8.089 579 HH TYR 78 HH TYR 78 5.849 -10.760 8.597 580 HB2 TYR 78 1HB TYR 78 4.055 -4.917 6.041 581 HB3 TYR 78 2HB TYR 78 5.418 -4.528 7.111 582 H LEU 79 H LEU 79 4.941 -2.926 9.546 583 HA LEU 79 HA LEU 79 5.697 -4.882 11.418 584 HG LEU 79 HG LEU 79 7.141 -2.732 9.425 585 HB2 LEU 79 1HB LEU 79 6.026 -1.886 11.379 586 HB3 LEU 79 2HB LEU 79 6.895 -3.025 12.409 587 HD11 LEU 79 1HD1 LEU 79 8.295 -1.010 10.668 588 HD12 LEU 79 2HD1 LEU 79 9.429 -2.108 9.885 589 HD13 LEU 79 3HD1 LEU 79 9.134 -2.240 11.616 590 HD21 LEU 79 3HD2 LEU 79 8.425 -4.730 11.274 591 HD22 LEU 79 1HD2 LEU 79 8.859 -4.490 9.571 592 HD23 LEU 79 2HD2 LEU 79 7.237 -5.045 10.010 593 H THR 80 H THR 80 3.020 -3.157 10.883 594 HA THR 80 HA THR 80 2.193 -2.335 13.486 595 HB THR 80 HB THR 80 0.579 -3.112 11.034 596 HG1 THR 80 HG1 THR 80 2.017 -1.136 11.216 597 HG21 THR 80 3HG2 THR 80 -1.359 -1.979 12.086 598 HG22 THR 80 1HG2 THR 80 -0.417 -1.759 13.561 599 HG23 THR 80 2HG2 THR 80 -0.847 -3.381 13.024 600 HA PRO 81 HA PRO 81 1.530 -6.432 15.129 601 HB2 PRO 81 1HB PRO 81 0.159 -5.774 17.343 602 HB3 PRO 81 2HB PRO 81 1.918 -5.583 17.195 603 HG2 PRO 81 1HG PRO 81 -0.241 -3.562 16.870 604 HG3 PRO 81 2HG PRO 81 1.347 -3.490 17.707 605 HD2 PRO 81 1HD PRO 81 0.904 -2.420 15.245 606 HD3 PRO 81 2HD PRO 81 2.483 -3.066 15.765 607 H ARG 82 H ARG 82 0.360 -7.087 13.773 608 HA ARG 82 HA ARG 82 -2.517 -7.279 14.255 609 HE ARG 82 HE ARG 82 1.545 -6.681 10.521 610 HB2 ARG 82 1HB ARG 82 -2.683 -7.625 11.622 611 HB3 ARG 82 2HB ARG 82 -2.682 -6.009 12.335 612 HG2 ARG 82 1HG ARG 82 -1.162 -5.774 10.569 613 HG3 ARG 82 2HG ARG 82 -0.125 -6.150 11.942 614 HD2 ARG 82 1HD ARG 82 -0.619 -8.625 10.980 615 HD3 ARG 82 2HD ARG 82 -0.619 -7.621 9.538 616 HH11 ARG 82 1HH1 ARG 82 0.544 -10.058 10.758 617 HH12 ARG 82 2HH1 ARG 82 2.137 -10.679 10.745 618 HH21 ARG 82 1HH2 ARG 82 3.692 -7.509 10.532 619 HH22 ARG 82 2HH2 ARG 82 3.989 -9.187 10.635 620 H SER 83 H SER 83 -3.461 -9.216 14.191 621 HA SER 83 HA SER 83 -1.838 -11.507 14.577 622 HG SER 83 HG SER 83 -3.228 -10.806 16.431 623 HB2 SER 83 1HB SER 83 -4.821 -11.356 14.150 624 HB3 SER 83 2HB SER 83 -3.918 -12.583 15.044 625 H GLU 84 H GLU 84 -3.812 -10.213 12.010 626 HA GLU 84 HA GLU 84 -3.553 -12.382 10.143 627 HB2 GLU 84 1HB GLU 84 -4.033 -9.419 9.722 628 HB3 GLU 84 2HB GLU 84 -4.313 -10.685 8.521 629 HG2 GLU 84 1HG GLU 84 -6.122 -11.546 9.833 630 HG3 GLU 84 2HG GLU 84 -5.802 -10.377 11.125 631 HA PRO 85 HA PRO 85 0.504 -10.875 8.963 632 HB2 PRO 85 1HB PRO 85 0.853 -11.799 6.453 633 HB3 PRO 85 2HB PRO 85 0.772 -12.887 7.855 634 HG2 PRO 85 1HG PRO 85 -1.236 -12.322 5.745 635 HG3 PRO 85 2HG PRO 85 -0.969 -13.804 6.688 636 HD2 PRO 85 1HD PRO 85 -2.980 -11.841 7.161 637 HD3 PRO 85 2HD PRO 85 -2.481 -13.190 8.213 638 H HIS 86 H HIS 86 -1.760 -10.143 6.314 639 HA HIS 86 HA HIS 86 -1.864 -8.389 4.786 640 HD2 HIS 86 HD2 HIS 86 -3.094 -8.750 8.032 641 HE1 HIS 86 HE1 HIS 86 -5.735 -5.547 7.246 642 HE2 HIS 86 HE2 HIS 86 -5.469 -7.754 8.443 643 HB2 HIS 86 1HB HIS 86 -0.782 -6.889 7.208 644 HB3 HIS 86 2HB HIS 86 -1.313 -6.096 5.720 645 H CYS 87 H CYS 87 0.270 -9.999 4.381 646 HA CYS 87 HA CYS 87 2.680 -8.460 4.501 647 HG CYS 87 HG CYS 87 1.354 -11.874 2.656 648 HB2 CYS 87 1HB CYS 87 3.687 -10.638 3.672 649 HB3 CYS 87 2HB CYS 87 3.066 -10.517 5.318 650 H LEU 88 H LEU 88 0.463 -8.273 2.409 651 HA LEU 88 HA LEU 88 2.107 -8.437 -0.024 652 HG LEU 88 HG LEU 88 1.094 -10.911 0.740 653 HB2 LEU 88 1HB LEU 88 -0.591 -9.527 0.526 654 HB3 LEU 88 2HB LEU 88 -0.184 -9.119 -1.117 655 HD11 LEU 88 1HD1 LEU 88 0.562 -12.683 -0.873 656 HD12 LEU 88 2HD1 LEU 88 -0.271 -11.504 -1.898 657 HD13 LEU 88 3HD1 LEU 88 -0.935 -11.926 -0.290 658 HD21 LEU 88 3HD2 LEU 88 2.464 -11.737 -1.212 659 HD22 LEU 88 1HD2 LEU 88 2.872 -10.157 -0.533 660 HD23 LEU 88 2HD2 LEU 88 1.937 -10.263 -2.027 661 H VAL 89 H VAL 89 2.532 -6.890 -0.840 662 HA VAL 89 HA VAL 89 0.426 -4.886 -0.994 663 HB VAL 89 HB VAL 89 2.070 -3.082 -0.756 664 HG11 VAL 89 1HG1 VAL 89 2.025 -4.968 1.567 665 HG12 VAL 89 2HG1 VAL 89 0.903 -3.631 1.250 666 HG13 VAL 89 3HG1 VAL 89 2.594 -3.304 1.650 667 HG21 VAL 89 3HG2 VAL 89 4.032 -5.224 0.004 668 HG22 VAL 89 1HG2 VAL 89 4.344 -3.476 -0.038 669 HG23 VAL 89 2HG2 VAL 89 3.970 -4.369 -1.534 670 H LEU 90 H LEU 90 0.297 -3.953 -2.946 671 HA LEU 90 HA LEU 90 2.262 -4.810 -4.926 672 HG LEU 90 HG LEU 90 -0.896 -3.020 -4.726 673 HB2 LEU 90 1HB LEU 90 0.555 -4.752 -6.582 674 HB3 LEU 90 2HB LEU 90 -0.188 -5.444 -5.155 675 HD11 LEU 90 1HD1 LEU 90 0.238 -2.015 -6.564 676 HD12 LEU 90 2HD1 LEU 90 -1.511 -1.868 -6.857 677 HD13 LEU 90 3HD1 LEU 90 -0.552 -3.117 -7.683 678 HD21 LEU 90 3HD2 LEU 90 -2.483 -4.775 -4.958 679 HD22 LEU 90 1HD2 LEU 90 -2.243 -4.831 -6.711 680 HD23 LEU 90 2HD2 LEU 90 -3.002 -3.428 -5.967 681 H SER 91 H SER 91 3.044 -3.217 -6.382 682 HA SER 91 HA SER 91 3.125 -0.608 -5.156 683 HG SER 91 HG SER 91 5.753 -1.716 -8.011 684 HB2 SER 91 1HB SER 91 5.146 -0.270 -6.388 685 HB3 SER 91 2HB SER 91 5.095 -1.983 -5.957 686 H LEU 92 H LEU 92 2.230 1.165 -5.988 687 HA LEU 92 HA LEU 92 0.472 0.924 -8.282 688 HG LEU 92 HG LEU 92 -0.578 1.009 -5.703 689 HB2 LEU 92 1HB LEU 92 0.962 2.993 -6.179 690 HB3 LEU 92 2HB LEU 92 -0.066 3.317 -7.577 691 HD11 LEU 92 1HD1 LEU 92 -0.656 3.183 -4.485 692 HD12 LEU 92 2HD1 LEU 92 -2.211 2.369 -4.621 693 HD13 LEU 92 3HD1 LEU 92 -1.846 3.738 -5.671 694 HD21 LEU 92 3HD2 LEU 92 -1.536 0.949 -7.949 695 HD22 LEU 92 1HD2 LEU 92 -2.165 2.574 -7.636 696 HD23 LEU 92 2HD2 LEU 92 -2.772 1.183 -6.692 697 H ASP 93 H ASP 93 3.522 1.214 -8.244 698 HA ASP 93 HA ASP 93 3.677 3.490 -10.121 699 HB2 ASP 93 1HB ASP 93 5.796 2.547 -8.182 700 HB3 ASP 93 2HB ASP 93 5.988 3.858 -9.357 701 H ASN 94 H ASN 94 4.812 0.287 -9.294 702 HA ASN 94 HA ASN 94 5.950 0.030 -12.024 703 HB2 ASN 94 1HB ASN 94 6.660 -1.755 -9.680 704 HB3 ASN 94 2HB ASN 94 7.547 -1.497 -11.188 705 HD21 ASN 94 1HD2 ASN 94 8.918 0.261 -11.289 706 HD22 ASN 94 2HD2 ASN 94 9.312 1.143 -9.847 707 H TRP 95 H TRP 95 3.600 -0.886 -9.879 708 HA TRP 95 HA TRP 95 2.111 -2.471 -9.611 709 HD1 TRP 95 HD1 TRP 95 1.863 -0.360 -13.276 710 HE1 TRP 95 HE1 TRP 95 -0.207 1.121 -12.940 711 HE3 TRP 95 HE3 TRP 95 -0.660 -3.198 -9.867 712 HZ2 TRP 95 HZ2 TRP 95 -2.560 1.134 -11.405 713 HZ3 TRP 95 HZ3 TRP 95 -2.811 -2.376 -9.010 714 HH2 TRP 95 HH2 TRP 95 -3.742 -0.254 -9.764 715 HB2 TRP 95 1HB TRP 95 2.454 -2.791 -12.598 716 HB3 TRP 95 2HB TRP 95 1.259 -3.694 -11.672 717 H SER 96 H SER 96 4.219 -3.237 -8.499 718 HA SER 96 HA SER 96 4.652 -6.009 -9.395 719 HG SER 96 HG SER 96 6.744 -4.744 -10.177 720 HB2 SER 96 1HB SER 96 6.229 -4.495 -7.365 721 HB3 SER 96 2HB SER 96 6.654 -5.990 -8.196 722 H VAL 97 H VAL 97 4.961 -7.466 -7.452 723 HA VAL 97 HA VAL 97 3.302 -6.543 -5.249 724 HB VAL 97 HB VAL 97 3.521 -9.255 -6.568 725 HG11 VAL 97 1HG1 VAL 97 3.840 -9.494 -4.216 726 HG12 VAL 97 2HG1 VAL 97 2.273 -10.167 -4.766 727 HG13 VAL 97 3HG1 VAL 97 2.345 -8.592 -3.907 728 HG21 VAL 97 3HG2 VAL 97 1.155 -7.663 -5.672 729 HG22 VAL 97 1HG2 VAL 97 1.212 -9.192 -6.550 730 HG23 VAL 97 2HG2 VAL 97 1.804 -7.703 -7.326 731 H TRP 98 H TRP 98 4.093 -6.912 -3.245 732 HA TRP 98 HA TRP 98 6.735 -8.144 -3.087 733 HD1 TRP 98 HD1 TRP 98 7.134 -6.830 0.825 734 HE1 TRP 98 HE1 TRP 98 9.580 -7.468 1.279 735 HE3 TRP 98 HE3 TRP 98 8.917 -6.437 -3.929 736 HZ2 TRP 98 HZ2 TRP 98 11.932 -7.765 -0.202 737 HZ3 TRP 98 HZ3 TRP 98 11.253 -6.901 -4.369 738 HH2 TRP 98 HH2 TRP 98 12.787 -7.550 -2.532 739 HB2 TRP 98 1HB TRP 98 6.785 -5.558 -2.724 740 HB3 TRP 98 2HB TRP 98 5.857 -5.907 -1.260 741 H CYS 99 H CYS 99 6.923 -9.747 -1.544 742 HA CYS 99 HA CYS 99 4.650 -9.911 0.260 743 HB2 CYS 99 1HB CYS 99 4.416 -11.713 -1.265 744 HB3 CYS 99 2HB CYS 99 6.097 -12.207 -1.178 745 H TYR 100 H TYR 100 5.247 -9.526 2.160 746 HA TYR 100 HA TYR 100 7.992 -9.060 2.769 747 HD1 TYR 100 HD1 TYR 100 8.142 -6.574 4.057 748 HD2 TYR 100 HD2 TYR 100 4.146 -7.832 3.579 749 HE1 TYR 100 HE1 TYR 100 7.542 -4.286 3.431 750 HE2 TYR 100 HE2 TYR 100 3.486 -5.512 2.931 751 HH TYR 100 HH TYR 100 4.319 -3.235 3.245 752 HB2 TYR 100 1HB TYR 100 5.624 -9.217 4.604 753 HB3 TYR 100 2HB TYR 100 7.241 -8.680 5.065 754 H VAL 101 H VAL 101 5.975 -11.776 3.251 755 HA VAL 101 HA VAL 101 7.814 -12.940 5.166 756 HB VAL 101 HB VAL 101 5.447 -13.227 5.527 757 HG11 VAL 101 1HG1 VAL 101 4.138 -14.719 3.966 758 HG12 VAL 101 2HG1 VAL 101 5.522 -14.454 2.847 759 HG13 VAL 101 3HG1 VAL 101 4.589 -13.100 3.413 760 HG21 VAL 101 3HG2 VAL 101 5.295 -15.673 5.848 761 HG22 VAL 101 1HG2 VAL 101 6.858 -15.038 6.368 762 HG23 VAL 101 2HG2 VAL 101 6.717 -15.883 4.827 763 H CYS 102 H CYS 102 7.372 -12.906 1.791 764 HA CYS 102 HA CYS 102 9.008 -15.291 1.378 765 HB2 CYS 102 1HB CYS 102 7.460 -13.426 -0.357 766 HB3 CYS 102 2HB CYS 102 8.832 -14.296 -1.053 767 H ASP 103 H ASP 103 8.936 -11.911 1.432 768 HA ASP 103 HA ASP 103 10.377 -10.232 1.343 769 HB2 ASP 103 1HB ASP 103 11.438 -11.514 3.184 770 HB3 ASP 103 2HB ASP 103 12.538 -12.256 2.009 771 H ASN 104 H ASN 104 9.626 -11.048 -1.076 772 HA ASN 104 HA ASN 104 11.820 -10.270 -2.595 773 HB2 ASN 104 1HB ASN 104 11.800 -12.141 -4.104 774 HB3 ASN 104 2HB ASN 104 11.957 -12.774 -2.442 775 HD21 ASN 104 1HD2 ASN 104 9.807 -12.234 -5.022 776 HD22 ASN 104 2HD2 ASN 104 8.500 -13.178 -4.477 777 H GLU 105 H GLU 105 10.826 -10.292 -4.939 778 HA GLU 105 HA GLU 105 8.362 -8.830 -4.879 779 HB2 GLU 105 1HB GLU 105 10.434 -8.283 -6.032 780 HB3 GLU 105 2HB GLU 105 10.081 -9.568 -7.186 781 HG2 GLU 105 1HG GLU 105 7.974 -8.625 -7.695 782 HG3 GLU 105 2HG GLU 105 8.265 -7.333 -6.533 783 H VAL 106 H VAL 106 6.459 -9.776 -5.742 784 HA VAL 106 HA VAL 106 6.677 -12.598 -6.466 785 HB VAL 106 HB VAL 106 4.111 -11.148 -5.681 786 HG11 VAL 106 1HG1 VAL 106 4.834 -14.081 -5.726 787 HG12 VAL 106 2HG1 VAL 106 3.785 -13.263 -6.883 788 HG13 VAL 106 3HG1 VAL 106 3.298 -13.402 -5.193 789 HG21 VAL 106 3HG2 VAL 106 4.462 -12.143 -3.458 790 HG22 VAL 106 1HG2 VAL 106 5.737 -10.991 -3.887 791 HG23 VAL 106 2HG2 VAL 106 6.045 -12.719 -4.002 792 H GLN 107 H GLN 107 5.422 -13.474 -8.199 793 HA GLN 107 HA GLN 107 4.931 -11.678 -10.392 794 HB2 GLN 107 1HB GLN 107 5.660 -14.600 -10.647 795 HB3 GLN 107 2HB GLN 107 5.789 -13.323 -11.858 796 HG2 GLN 107 1HG GLN 107 8.004 -13.803 -11.338 797 HG3 GLN 107 2HG GLN 107 7.660 -12.402 -10.326 798 HE21 GLN 107 1HE2 GLN 107 9.182 -12.887 -8.779 799 HE22 GLN 107 2HE2 GLN 107 9.059 -14.258 -7.727 800 H TYR 108 H TYR 108 3.202 -12.340 -11.467 801 HA TYR 108 HA TYR 108 1.337 -14.417 -10.532 802 HD1 TYR 108 HD1 TYR 108 -0.624 -10.756 -11.518 803 HD2 TYR 108 HD2 TYR 108 2.370 -11.085 -8.555 804 HE1 TYR 108 HE1 TYR 108 -0.098 -8.361 -11.787 805 HE2 TYR 108 HE2 TYR 108 2.902 -8.774 -8.751 806 HH TYR 108 HH TYR 108 0.944 -6.559 -10.494 807 HB2 TYR 108 1HB TYR 108 -0.477 -12.704 -10.092 808 HB3 TYR 108 2HB TYR 108 0.805 -12.835 -8.876 809 H CYS 109 H CYS 109 -0.500 -14.672 -11.749 810 HA CYS 109 HA CYS 109 -0.704 -13.245 -14.292 811 HG CYS 109 HG CYS 109 -0.091 -17.558 -13.226 812 HB2 CYS 109 1HB CYS 109 -1.300 -15.413 -15.324 813 HB3 CYS 109 2HB CYS 109 0.329 -15.484 -14.632 814 H SER 110 H SER 110 -3.110 -13.727 -15.097 815 HA SER 110 HA SER 110 -4.779 -13.009 -12.904 816 HG SER 110 HG SER 110 -4.074 -11.669 -14.708 817 HB2 SER 110 1HB SER 110 -5.516 -13.568 -15.777 818 HB3 SER 110 2HB SER 110 -6.538 -12.769 -14.579 819 H SER 111 H SER 111 -3.838 -16.036 -14.035 820 HA SER 111 HA SER 111 -6.236 -17.444 -13.358 821 HG SER 111 HG SER 111 -5.101 -17.706 -15.410 822 HB2 SER 111 1HB SER 111 -3.375 -18.455 -13.421 823 HB3 SER 111 2HB SER 111 -4.849 -19.438 -13.511 824 H ASN 112 H ASN 112 -3.273 -16.491 -11.772 825 HA ASN 112 HA ASN 112 -3.797 -17.741 -9.245 826 HB2 ASN 112 1HB ASN 112 -1.495 -17.260 -10.050 827 HB3 ASN 112 2HB ASN 112 -1.857 -15.534 -10.036 828 HD21 ASN 112 1HD2 ASN 112 0.238 -17.059 -8.677 829 HD22 ASN 112 2HD2 ASN 112 0.056 -16.716 -6.989 830 H GLN 113 H GLN 113 -4.656 -16.780 -7.448 831 HA GLN 113 HA GLN 113 -6.699 -14.893 -7.605 832 HB2 GLN 113 1HB GLN 113 -6.373 -16.485 -5.738 833 HB3 GLN 113 2HB GLN 113 -4.971 -15.550 -5.211 834 HG2 GLN 113 1HG GLN 113 -6.536 -13.597 -4.952 835 HG3 GLN 113 2HG GLN 113 -7.862 -14.748 -5.176 836 HE21 GLN 113 1HE2 GLN 113 -5.352 -13.657 -3.139 837 HE22 GLN 113 2HE2 GLN 113 -5.844 -14.443 -1.689 838 H LEU 114 H LEU 114 -3.190 -14.437 -6.967 839 HA LEU 114 HA LEU 114 -3.305 -11.810 -6.007 840 HG LEU 114 HG LEU 114 -0.428 -11.198 -7.285 841 HB2 LEU 114 1HB LEU 114 -1.515 -13.435 -5.617 842 HB3 LEU 114 2HB LEU 114 -1.203 -13.488 -7.347 843 HD11 LEU 114 1HD1 LEU 114 -0.130 -10.067 -5.126 844 HD12 LEU 114 2HD1 LEU 114 -1.004 -11.386 -4.334 845 HD13 LEU 114 3HD1 LEU 114 -1.826 -10.355 -5.511 846 HD21 LEU 114 3HD2 LEU 114 1.083 -13.078 -6.864 847 HD22 LEU 114 1HD2 LEU 114 0.835 -12.868 -5.137 848 HD23 LEU 114 2HD2 LEU 114 1.608 -11.588 -6.086 849 H GLY 115 H GLY 115 -2.896 -13.278 -9.163 850 HA2 GLY 115 1HA GLY 115 -2.400 -10.788 -10.469 851 HA3 GLY 115 2HA GLY 115 -2.800 -12.319 -11.271 852 H GLN 116 H GLN 116 -5.344 -12.905 -10.005 853 HA GLN 116 HA GLN 116 -7.192 -11.572 -11.428 854 HB2 GLN 116 1HB GLN 116 -7.456 -12.655 -8.628 855 HB3 GLN 116 2HB GLN 116 -8.783 -12.364 -9.747 856 HG2 GLN 116 1HG GLN 116 -7.835 -13.987 -11.216 857 HG3 GLN 116 2HG GLN 116 -6.600 -14.354 -10.011 858 HE21 GLN 116 1HE2 GLN 116 -7.297 -16.403 -9.751 859 HE22 GLN 116 2HE2 GLN 116 -8.753 -16.829 -8.878 860 H VAL 117 H VAL 117 -5.913 -10.841 -8.240 861 HA VAL 117 HA VAL 117 -7.896 -8.894 -7.982 862 HB VAL 117 HB VAL 117 -5.927 -9.947 -6.031 863 HG11 VAL 117 1HG1 VAL 117 -6.439 -8.165 -4.409 864 HG12 VAL 117 2HG1 VAL 117 -7.408 -7.334 -5.649 865 HG13 VAL 117 3HG1 VAL 117 -5.665 -7.515 -5.867 866 HG21 VAL 117 3HG2 VAL 117 -8.834 -9.435 -6.246 867 HG22 VAL 117 1HG2 VAL 117 -8.084 -9.867 -4.702 868 HG23 VAL 117 2HG2 VAL 117 -7.939 -10.963 -6.092 869 H VAL 118 H VAL 118 -4.314 -8.857 -8.301 870 HA VAL 118 HA VAL 118 -4.010 -6.132 -8.372 871 HB VAL 118 HB VAL 118 -2.578 -8.235 -10.009 872 HG11 VAL 118 1HG1 VAL 118 -1.782 -5.337 -9.547 873 HG12 VAL 118 2HG1 VAL 118 -2.327 -6.019 -11.078 874 HG13 VAL 118 3HG1 VAL 118 -0.800 -6.548 -10.373 875 HG21 VAL 118 3HG2 VAL 118 -0.781 -7.919 -8.383 876 HG22 VAL 118 1HG2 VAL 118 -2.278 -8.455 -7.600 877 HG23 VAL 118 2HG2 VAL 118 -1.785 -6.754 -7.525 878 H ASP 119 H ASP 119 -5.279 -8.259 -10.827 879 HA ASP 119 HA ASP 119 -5.278 -6.381 -13.009 880 HB2 ASP 119 1HB ASP 119 -5.469 -8.918 -13.235 881 HB3 ASP 119 2HB ASP 119 -7.019 -8.789 -12.423 882 H TYR 120 H TYR 120 -7.470 -7.440 -10.591 883 HA TYR 120 HA TYR 120 -9.719 -5.913 -11.353 884 HD1 TYR 120 HD1 TYR 120 -12.165 -5.828 -9.724 885 HD2 TYR 120 HD2 TYR 120 -9.070 -6.405 -6.885 886 HE1 TYR 120 HE1 TYR 120 -13.468 -4.607 -8.040 887 HE2 TYR 120 HE2 TYR 120 -10.316 -5.226 -5.223 888 HH TYR 120 HH TYR 120 -12.116 -3.413 -5.253 889 HB2 TYR 120 1HB TYR 120 -10.316 -7.649 -9.897 890 HB3 TYR 120 2HB TYR 120 -8.887 -7.396 -8.888 891 H VAL 121 H VAL 121 -7.133 -5.324 -9.048 892 HA VAL 121 HA VAL 121 -8.118 -2.824 -8.139 893 HB VAL 121 HB VAL 121 -5.471 -4.297 -7.876 894 HG11 VAL 121 1HG1 VAL 121 -6.292 -1.700 -6.655 895 HG12 VAL 121 2HG1 VAL 121 -4.964 -1.949 -7.794 896 HG13 VAL 121 3HG1 VAL 121 -4.884 -2.634 -6.162 897 HG21 VAL 121 3HG2 VAL 121 -7.622 -3.673 -5.887 898 HG22 VAL 121 1HG2 VAL 121 -6.129 -4.542 -5.539 899 HG23 VAL 121 2HG2 VAL 121 -7.327 -5.244 -6.635 900 H ARG 122 H ARG 122 -5.964 -3.855 -10.663 901 HA ARG 122 HA ARG 122 -5.011 -1.269 -11.208 902 HE ARG 122 HE ARG 122 -2.616 -1.143 -15.457 903 HB2 ARG 122 1HB ARG 122 -3.922 -3.399 -11.945 904 HB3 ARG 122 2HB ARG 122 -5.246 -3.596 -13.090 905 HG2 ARG 122 1HG ARG 122 -4.591 -1.880 -14.421 906 HG3 ARG 122 2HG ARG 122 -3.749 -1.072 -13.084 907 HD2 ARG 122 1HD ARG 122 -1.967 -2.602 -13.181 908 HD3 ARG 122 2HD ARG 122 -2.805 -3.660 -14.330 909 HH11 ARG 122 1HH1 ARG 122 -0.383 -3.676 -14.408 910 HH12 ARG 122 2HH1 ARG 122 0.836 -3.250 -15.519 911 HH21 ARG 122 1HH2 ARG 122 -0.909 -0.559 -16.971 912 HH22 ARG 122 2HH2 ARG 122 0.533 -1.451 -16.991 913 H LYS 123 H LYS 123 -7.907 -3.065 -12.243 914 HA LYS 123 HA LYS 123 -8.757 -1.063 -14.021 915 HB2 LYS 123 1HB LYS 123 -10.178 -3.279 -12.594 916 HB3 LYS 123 2HB LYS 123 -10.841 -2.330 -13.933 917 HG2 LYS 123 1HG LYS 123 -8.936 -2.876 -15.220 918 HG3 LYS 123 2HG LYS 123 -8.353 -3.942 -13.959 919 HD2 LYS 123 1HD LYS 123 -10.991 -4.291 -15.331 920 HD3 LYS 123 2HD LYS 123 -9.538 -5.219 -15.740 921 HE2 LYS 123 1HE LYS 123 -9.476 -5.850 -13.274 922 HE3 LYS 123 2HE LYS 123 -11.150 -5.280 -13.193 923 HZ1 LYS 123 3HZ LYS 123 -11.182 -7.624 -13.581 924 HZ2 LYS 123 1HZ LYS 123 -10.015 -7.483 -14.784 925 HZ3 LYS 123 2HZ LYS 123 -11.583 -6.916 -15.046 926 H GLN 124 H GLN 124 -8.810 -1.543 -10.753 927 HA GLN 124 HA GLN 124 -11.057 0.090 -10.040 928 HB2 GLN 124 1HB GLN 124 -8.724 -0.638 -8.293 929 HB3 GLN 124 2HB GLN 124 -10.019 0.413 -7.735 930 HG2 GLN 124 1HG GLN 124 -9.956 -2.518 -8.026 931 HG3 GLN 124 2HG GLN 124 -10.863 -1.409 -6.978 932 HE21 GLN 124 1HE2 GLN 124 -10.689 -2.913 -9.949 933 HE22 GLN 124 2HE2 GLN 124 -12.334 -2.806 -10.392 934 H ALA 125 H ALA 125 -7.620 0.500 -9.792 935 HA ALA 125 HA ALA 125 -7.593 3.256 -9.199 936 HB1 ALA 125 3HB ALA 125 -5.414 1.430 -10.221 937 HB2 ALA 125 1HB ALA 125 -5.915 1.652 -8.540 938 HB3 ALA 125 2HB ALA 125 -5.197 3.009 -9.433 939 H SER 126 H SER 126 -7.072 1.347 -12.095 940 HA SER 126 HA SER 126 -6.798 1.828 -14.222 941 HG SER 126 HG SER 126 -8.950 3.952 -12.771 942 HB2 SER 126 1HB SER 126 -8.817 3.120 -15.165 943 HB3 SER 126 2HB SER 126 -9.114 1.652 -14.226 Start of MODEL 5 1 HA PRO 5 HA PRO 5 10.339 -19.975 -5.299 2 HB2 PRO 5 1HB PRO 5 10.694 -17.398 -5.778 3 HB3 PRO 5 2HB PRO 5 12.029 -18.449 -5.257 4 HG2 PRO 5 1HG PRO 5 11.319 -17.604 -8.067 5 HG3 PRO 5 2HG PRO 5 12.944 -17.665 -7.316 6 HD2 PRO 5 1HD PRO 5 11.945 -19.499 -8.949 7 HD3 PRO 5 2HD PRO 5 12.995 -19.989 -7.575 8 H VAL 6 H VAL 6 8.584 -19.178 -4.706 9 HA VAL 6 HA VAL 6 6.813 -17.569 -6.187 10 HB VAL 6 HB VAL 6 6.488 -19.912 -7.208 11 HG11 VAL 6 1HG1 VAL 6 6.653 -21.267 -5.219 12 HG12 VAL 6 2HG1 VAL 6 5.066 -21.488 -5.965 13 HG13 VAL 6 3HG1 VAL 6 5.236 -20.467 -4.538 14 HG21 VAL 6 3HG2 VAL 6 4.867 -18.156 -7.474 15 HG22 VAL 6 1HG2 VAL 6 4.147 -18.568 -5.918 16 HG23 VAL 6 2HG2 VAL 6 4.043 -19.714 -7.268 17 H CYS 7 H CYS 7 4.983 -17.048 -4.826 18 HA CYS 7 HA CYS 7 5.599 -17.554 -2.068 19 HB2 CYS 7 1HB CYS 7 5.716 -15.217 -2.520 20 HB3 CYS 7 2HB CYS 7 4.217 -15.271 -3.455 21 H ARG 8 H ARG 8 3.976 -18.920 -0.979 22 HA ARG 8 HA ARG 8 1.523 -18.863 -2.393 23 HE ARG 8 HE ARG 8 -0.580 -21.016 -4.552 24 HB2 ARG 8 1HB ARG 8 3.089 -21.051 -1.954 25 HB3 ARG 8 2HB ARG 8 1.928 -21.164 -0.616 26 HG2 ARG 8 1HG ARG 8 1.068 -22.372 -2.441 27 HG3 ARG 8 2HG ARG 8 0.135 -20.871 -2.249 28 HD2 ARG 8 1HD ARG 8 1.638 -19.843 -4.020 29 HD3 ARG 8 2HD ARG 8 2.277 -21.451 -4.279 30 HH11 ARG 8 1HH1 ARG 8 2.519 -21.885 -6.016 31 HH12 ARG 8 2HH1 ARG 8 1.936 -22.042 -7.590 32 HH21 ARG 8 1HH2 ARG 8 -1.434 -21.200 -6.754 33 HH22 ARG 8 2HH2 ARG 8 -0.392 -21.646 -8.025 34 H HIS 9 H HIS 9 2.405 -17.110 -0.525 35 HA HIS 9 HA HIS 9 0.571 -17.342 1.860 36 HD2 HIS 9 HD2 HIS 9 2.332 -17.753 4.029 37 HE1 HIS 9 HE1 HIS 9 6.333 -16.720 3.162 38 HE2 HIS 9 HE2 HIS 9 4.808 -18.090 4.675 39 HB2 HIS 9 1HB HIS 9 2.537 -15.181 1.041 40 HB3 HIS 9 2HB HIS 9 1.541 -15.193 2.496 41 H ILE 10 H ILE 10 -0.256 -17.159 -1.037 42 HA ILE 10 HA ILE 10 -0.796 -14.494 -1.347 43 HB ILE 10 HB ILE 10 -1.827 -16.839 -2.973 44 HG12 ILE 10 1HG1 ILE 10 0.604 -16.616 -3.004 45 HG13 ILE 10 2HG1 ILE 10 -0.061 -16.148 -4.579 46 HG21 ILE 10 1HG2 ILE 10 -3.310 -14.938 -3.322 47 HG22 ILE 10 2HG2 ILE 10 -2.353 -15.260 -4.766 48 HG23 ILE 10 3HG2 ILE 10 -1.927 -13.913 -3.710 49 HD11 ILE 10 3HD1 ILE 10 0.890 -14.375 -2.371 50 HD12 ILE 10 1HD1 ILE 10 0.146 -13.806 -3.867 51 HD13 ILE 10 2HD1 ILE 10 1.701 -14.663 -3.920 52 H ARG 11 H ARG 11 -2.631 -17.302 -0.611 53 HA ARG 11 HA ARG 11 -5.215 -16.178 -0.550 54 HE ARG 11 HE ARG 11 -3.419 -21.048 -0.226 55 HB2 ARG 11 1HB ARG 11 -4.179 -18.549 0.974 56 HB3 ARG 11 2HB ARG 11 -5.876 -18.110 0.867 57 HG2 ARG 11 1HG ARG 11 -5.856 -18.481 -1.518 58 HG3 ARG 11 2HG ARG 11 -4.124 -18.835 -1.475 59 HD2 ARG 11 1HD ARG 11 -6.284 -20.387 -0.055 60 HD3 ARG 11 2HD ARG 11 -5.445 -20.898 -1.521 61 HH11 ARG 11 1HH1 ARG 11 -6.405 -20.806 1.717 62 HH12 ARG 11 2HH1 ARG 11 -5.716 -21.508 3.096 63 HH21 ARG 11 1HH2 ARG 11 -2.512 -22.058 1.677 64 HH22 ARG 11 2HH2 ARG 11 -3.465 -22.261 3.063 65 H LYS 12 H LYS 12 -2.760 -16.351 1.935 66 HA LYS 12 HA LYS 12 -4.555 -15.451 3.904 67 HB2 LYS 12 1HB LYS 12 -2.519 -15.380 5.366 68 HB3 LYS 12 2HB LYS 12 -3.012 -16.930 4.705 69 HG2 LYS 12 1HG LYS 12 -1.290 -16.594 2.915 70 HG3 LYS 12 2HG LYS 12 -0.737 -15.188 3.846 71 HD2 LYS 12 1HD LYS 12 -1.105 -17.879 4.947 72 HD3 LYS 12 2HD LYS 12 0.460 -17.379 4.260 73 HE2 LYS 12 1HE LYS 12 0.412 -15.492 5.912 74 HE3 LYS 12 2HE LYS 12 -1.038 -16.215 6.610 75 HZ1 LYS 12 3HZ LYS 12 0.889 -16.858 7.867 76 HZ2 LYS 12 1HZ LYS 12 1.659 -17.448 6.496 77 HZ3 LYS 12 2HZ LYS 12 0.280 -18.215 7.092 78 H GLY 13 H GLY 13 -2.384 -14.100 1.650 79 HA2 GLY 13 1HA GLY 13 -1.950 -11.516 3.000 80 HA3 GLY 13 2HA GLY 13 -1.139 -12.180 1.596 81 H LEU 14 H LEU 14 -4.163 -12.882 0.897 82 HA LEU 14 HA LEU 14 -4.759 -10.261 -0.234 83 HG LEU 14 HG LEU 14 -5.073 -10.194 -2.741 84 HB2 LEU 14 1HB LEU 14 -3.536 -11.922 -1.731 85 HB3 LEU 14 2HB LEU 14 -4.968 -12.932 -1.589 86 HD11 LEU 14 1HD1 LEU 14 -3.376 -11.439 -3.931 87 HD12 LEU 14 2HD1 LEU 14 -4.830 -11.315 -4.935 88 HD13 LEU 14 3HD1 LEU 14 -4.464 -12.815 -4.071 89 HD21 LEU 14 3HD2 LEU 14 -7.258 -11.028 -2.366 90 HD22 LEU 14 1HD2 LEU 14 -6.770 -12.654 -2.913 91 HD23 LEU 14 2HD2 LEU 14 -6.842 -11.366 -4.070 92 H GLU 15 H GLU 15 -6.824 -9.723 0.369 93 HA GLU 15 HA GLU 15 -8.611 -11.934 0.917 94 HB2 GLU 15 1HB GLU 15 -7.645 -10.615 2.989 95 HB3 GLU 15 2HB GLU 15 -8.807 -9.390 2.497 96 HG2 GLU 15 1HG GLU 15 -9.278 -12.150 3.498 97 HG3 GLU 15 2HG GLU 15 -9.696 -10.596 4.187 98 H GLN 16 H GLN 16 -9.655 -11.654 -1.030 99 HA GLN 16 HA GLN 16 -9.976 -9.369 -2.434 100 HB2 GLN 16 1HB GLN 16 -11.906 -11.672 -2.556 101 HB3 GLN 16 2HB GLN 16 -11.628 -10.419 -3.767 102 HG2 GLN 16 1HG GLN 16 -9.284 -11.213 -3.990 103 HG3 GLN 16 2HG GLN 16 -9.692 -12.523 -2.880 104 HE21 GLN 16 1HE2 GLN 16 -8.859 -12.523 -5.682 105 HE22 GLN 16 2HE2 GLN 16 -10.079 -13.436 -6.528 106 H GLY 17 H GLY 17 -12.093 -10.675 0.057 107 HA2 GLY 17 1HA GLY 17 -14.475 -9.318 -0.580 108 HA3 GLY 17 2HA GLY 17 -14.052 -10.037 0.978 109 H ASN 18 H ASN 18 -11.989 -8.540 1.882 110 HA ASN 18 HA ASN 18 -13.454 -6.140 2.481 111 HB2 ASN 18 1HB ASN 18 -11.955 -5.754 4.339 112 HB3 ASN 18 2HB ASN 18 -12.008 -7.506 4.163 113 HD21 ASN 18 1HD2 ASN 18 -10.230 -7.876 2.115 114 HD22 ASN 18 2HD2 ASN 18 -8.705 -7.417 2.786 115 H LEU 19 H LEU 19 -11.105 -7.008 0.242 116 HA LEU 19 HA LEU 19 -9.710 -4.605 -0.265 117 HG LEU 19 HG LEU 19 -8.271 -7.509 -2.098 118 HB2 LEU 19 1HB LEU 19 -10.429 -7.011 -1.863 119 HB3 LEU 19 2HB LEU 19 -9.917 -5.565 -2.724 120 HD11 LEU 19 1HD1 LEU 19 -7.635 -5.594 -3.357 121 HD12 LEU 19 2HD1 LEU 19 -6.444 -5.890 -2.059 122 HD13 LEU 19 3HD1 LEU 19 -7.636 -4.584 -1.895 123 HD21 LEU 19 3HD2 LEU 19 -8.647 -7.353 0.284 124 HD22 LEU 19 1HD2 LEU 19 -8.063 -5.689 0.270 125 HD23 LEU 19 2HD2 LEU 19 -6.966 -7.015 -0.142 126 H LYS 20 H LYS 20 -12.758 -5.893 -1.596 127 HA LYS 20 HA LYS 20 -13.307 -3.830 -3.472 128 HB2 LYS 20 1HB LYS 20 -15.387 -5.259 -1.868 129 HB3 LYS 20 2HB LYS 20 -15.420 -4.837 -3.573 130 HG2 LYS 20 1HG LYS 20 -13.780 -7.109 -2.390 131 HG3 LYS 20 2HG LYS 20 -15.385 -7.268 -3.112 132 HD2 LYS 20 1HD LYS 20 -12.995 -6.211 -4.553 133 HD3 LYS 20 2HD LYS 20 -13.417 -7.932 -4.484 134 HE2 LYS 20 1HE LYS 20 -15.093 -5.695 -5.562 135 HE3 LYS 20 2HE LYS 20 -14.223 -6.928 -6.496 136 HZ1 LYS 20 3HZ LYS 20 -16.568 -7.444 -6.323 137 HZ2 LYS 20 1HZ LYS 20 -16.501 -7.373 -4.652 138 HZ3 LYS 20 2HZ LYS 20 -15.686 -8.602 -5.471 139 H LYS 21 H LYS 21 -13.870 -4.068 -0.021 140 HA LYS 21 HA LYS 21 -15.763 -1.891 0.043 141 HB2 LYS 21 1HB LYS 21 -14.216 -3.203 2.264 142 HB3 LYS 21 2HB LYS 21 -15.703 -2.276 2.408 143 HG2 LYS 21 1HG LYS 21 -15.449 -4.858 0.929 144 HG3 LYS 21 2HG LYS 21 -15.975 -4.736 2.610 145 HD2 LYS 21 1HD LYS 21 -17.813 -3.224 1.808 146 HD3 LYS 21 2HD LYS 21 -17.218 -3.551 0.169 147 HE2 LYS 21 1HE LYS 21 -17.768 -5.847 0.327 148 HE3 LYS 21 2HE LYS 21 -18.121 -5.712 2.050 149 HZ1 LYS 21 3HZ LYS 21 -20.137 -5.788 0.763 150 HZ2 LYS 21 1HZ LYS 21 -19.679 -4.431 -0.144 151 HZ3 LYS 21 2HZ LYS 21 -19.986 -4.291 1.507 152 H ALA 22 H ALA 22 -12.313 -2.391 0.445 153 HA ALA 22 HA ALA 22 -11.954 0.128 1.761 154 HB1 ALA 22 3HB ALA 22 -9.955 -1.821 0.654 155 HB2 ALA 22 1HB ALA 22 -10.546 -1.792 2.309 156 HB3 ALA 22 2HB ALA 22 -9.593 -0.442 1.693 157 H LEU 23 H LEU 23 -11.639 -1.206 -1.452 158 HA LEU 23 HA LEU 23 -10.205 1.120 -2.452 159 HG LEU 23 HG LEU 23 -10.458 -2.355 -2.887 160 HB2 LEU 23 1HB LEU 23 -11.620 -0.823 -4.181 161 HB3 LEU 23 2HB LEU 23 -10.168 0.104 -4.536 162 HD11 LEU 23 1HD1 LEU 23 -8.832 -1.818 -5.321 163 HD12 LEU 23 2HD1 LEU 23 -10.293 -2.799 -5.177 164 HD13 LEU 23 3HD1 LEU 23 -8.808 -3.297 -4.359 165 HD21 LEU 23 3HD2 LEU 23 -8.955 -0.906 -1.638 166 HD22 LEU 23 1HD2 LEU 23 -7.913 -0.709 -3.053 167 HD23 LEU 23 2HD2 LEU 23 -8.102 -2.292 -2.261 168 H VAL 24 H VAL 24 -13.376 0.451 -1.798 169 HA VAL 24 HA VAL 24 -14.604 2.279 -3.542 170 HB VAL 24 HB VAL 24 -15.274 1.570 -0.671 171 HG11 VAL 24 1HG1 VAL 24 -16.958 3.067 -2.667 172 HG12 VAL 24 2HG1 VAL 24 -16.122 3.738 -1.266 173 HG13 VAL 24 3HG1 VAL 24 -17.440 2.572 -1.024 174 HG21 VAL 24 3HG2 VAL 24 -17.046 0.213 -1.676 175 HG22 VAL 24 1HG2 VAL 24 -15.443 -0.288 -2.211 176 HG23 VAL 24 2HG2 VAL 24 -16.471 0.666 -3.284 177 H ASN 25 H ASN 25 -12.928 2.705 -0.449 178 HA ASN 25 HA ASN 25 -13.519 5.589 -0.493 179 HB2 ASN 25 1HB ASN 25 -12.763 3.781 1.803 180 HB3 ASN 25 2HB ASN 25 -12.982 5.535 1.942 181 HD21 ASN 25 1HD2 ASN 25 -14.518 2.433 1.587 182 HD22 ASN 25 2HD2 ASN 25 -16.133 2.991 1.852 183 H VAL 26 H VAL 26 -11.224 3.897 -1.674 184 HA VAL 26 HA VAL 26 -8.861 4.858 -0.339 185 HB VAL 26 HB VAL 26 -7.641 4.152 -2.449 186 HG11 VAL 26 1HG1 VAL 26 -7.676 2.761 -0.550 187 HG12 VAL 26 2HG1 VAL 26 -7.889 1.802 -2.026 188 HG13 VAL 26 3HG1 VAL 26 -9.280 2.143 -0.969 189 HG21 VAL 26 3HG2 VAL 26 -8.859 2.703 -3.956 190 HG22 VAL 26 1HG2 VAL 26 -9.449 4.361 -3.983 191 HG23 VAL 26 2HG2 VAL 26 -10.363 3.119 -3.132 192 H GLU 27 H GLU 27 -7.278 6.158 -1.180 193 HA GLU 27 HA GLU 27 -8.070 8.090 -3.213 194 HB2 GLU 27 1HB GLU 27 -7.335 8.862 -0.909 195 HB3 GLU 27 2HB GLU 27 -5.755 8.193 -1.326 196 HG2 GLU 27 1HG GLU 27 -5.568 10.337 -1.833 197 HG3 GLU 27 2HG GLU 27 -5.958 9.610 -3.395 198 H TRP 28 H TRP 28 -7.447 6.962 -4.856 199 HA TRP 28 HA TRP 28 -5.313 5.162 -4.922 200 HD1 TRP 28 HD1 TRP 28 -8.964 4.850 -7.141 201 HE1 TRP 28 HE1 TRP 28 -9.491 2.407 -6.552 202 HE3 TRP 28 HE3 TRP 28 -4.367 3.426 -5.534 203 HZ2 TRP 28 HZ2 TRP 28 -8.124 0.200 -5.572 204 HZ3 TRP 28 HZ3 TRP 28 -4.060 1.129 -4.758 205 HH2 TRP 28 HH2 TRP 28 -5.904 -0.445 -4.767 206 HB2 TRP 28 1HB TRP 28 -6.962 6.379 -6.938 207 HB3 TRP 28 2HB TRP 28 -5.569 5.463 -7.519 208 H ASN 29 H ASN 29 -3.441 5.059 -5.264 209 HA ASN 29 HA ASN 29 -1.331 5.488 -5.504 210 HB2 ASN 29 1HB ASN 29 -2.189 6.043 -7.693 211 HB3 ASN 29 2HB ASN 29 -2.103 7.762 -7.346 212 HD21 ASN 29 1HD2 ASN 29 -0.369 4.939 -8.017 213 HD22 ASN 29 2HD2 ASN 29 1.193 5.697 -8.122 214 H ILE 30 H ILE 30 -2.963 6.644 -3.532 215 HA ILE 30 HA ILE 30 -0.968 8.540 -2.572 216 HB ILE 30 HB ILE 30 -3.942 9.002 -2.211 217 HG12 ILE 30 1HG1 ILE 30 -1.933 10.393 -4.012 218 HG13 ILE 30 2HG1 ILE 30 -3.553 9.717 -4.308 219 HG21 ILE 30 1HG2 ILE 30 -2.746 9.602 -0.217 220 HG22 ILE 30 2HG2 ILE 30 -3.331 11.060 -1.006 221 HG23 ILE 30 3HG2 ILE 30 -1.624 10.609 -1.137 222 HD11 ILE 30 3HD1 ILE 30 -3.467 12.183 -4.437 223 HD12 ILE 30 1HD1 ILE 30 -3.071 12.215 -2.721 224 HD13 ILE 30 2HD1 ILE 30 -4.620 11.562 -3.259 225 H CYS 31 H CYS 31 -0.105 7.306 -1.096 226 HA CYS 31 HA CYS 31 -1.198 5.402 0.488 227 HB2 CYS 31 1HB CYS 31 1.084 5.635 0.746 228 HB3 CYS 31 2HB CYS 31 1.071 7.349 1.087 229 H GLN 32 H GLN 32 -2.974 5.444 1.391 230 HA GLN 32 HA GLN 32 -4.524 7.564 2.362 231 HB2 GLN 32 1HB GLN 32 -4.562 4.694 3.252 232 HB3 GLN 32 2HB GLN 32 -5.868 5.870 3.478 233 HG2 GLN 32 1HG GLN 32 -5.820 6.199 1.116 234 HG3 GLN 32 2HG GLN 32 -4.821 4.750 0.952 235 HE21 GLN 32 1HE2 GLN 32 -7.958 5.934 1.854 236 HE22 GLN 32 2HE2 GLN 32 -8.692 4.366 1.949 237 H ASP 33 H ASP 33 -2.246 5.622 3.763 238 HA ASP 33 HA ASP 33 -2.716 6.594 6.428 239 HB2 ASP 33 1HB ASP 33 -1.445 4.383 5.767 240 HB3 ASP 33 2HB ASP 33 -0.023 5.439 5.871 241 H CYS 34 H CYS 34 -1.066 8.120 3.751 242 HA CYS 34 HA CYS 34 0.474 9.802 5.384 243 HB2 CYS 34 1HB CYS 34 -0.160 9.350 2.563 244 HB3 CYS 34 2HB CYS 34 0.258 10.990 3.000 245 H LYS 35 H LYS 35 -2.611 9.649 3.865 246 HA LYS 35 HA LYS 35 -3.189 12.467 4.354 247 HB2 LYS 35 1HB LYS 35 -5.355 12.032 3.208 248 HB3 LYS 35 2HB LYS 35 -3.909 11.702 2.250 249 HG2 LYS 35 1HG LYS 35 -4.193 9.407 2.549 250 HG3 LYS 35 2HG LYS 35 -5.528 9.637 3.696 251 HD2 LYS 35 1HD LYS 35 -5.464 10.403 0.805 252 HD3 LYS 35 2HD LYS 35 -6.299 8.991 1.484 253 HE2 LYS 35 1HE LYS 35 -7.717 10.540 2.829 254 HE3 LYS 35 2HE LYS 35 -6.940 11.909 2.054 255 HZ1 LYS 35 3HZ LYS 35 -9.073 11.400 1.067 256 HZ2 LYS 35 1HZ LYS 35 -8.567 9.850 0.675 257 HZ3 LYS 35 2HZ LYS 35 -7.870 11.198 -0.086 258 H THR 36 H THR 36 -4.340 9.358 5.503 259 HA THR 36 HA THR 36 -5.976 10.819 7.381 260 HB THR 36 HB THR 36 -6.977 8.584 7.991 261 HG1 THR 36 HG1 THR 36 -5.223 7.663 5.927 262 HG21 THR 36 3HG2 THR 36 -8.243 8.289 5.916 263 HG22 THR 36 1HG2 THR 36 -7.031 9.261 5.067 264 HG23 THR 36 2HG2 THR 36 -8.021 9.999 6.329 265 H ASP 37 H ASP 37 -3.190 10.662 7.306 266 HA ASP 37 HA ASP 37 -1.788 8.827 8.664 267 HB2 ASP 37 1HB ASP 37 -0.682 10.648 7.556 268 HB3 ASP 37 2HB ASP 37 -1.316 11.796 8.747 269 H ASN 38 H ASN 38 -3.360 11.623 10.155 270 HA ASN 38 HA ASN 38 -4.316 11.946 12.183 271 HB2 ASN 38 1HB ASN 38 -5.021 9.537 11.915 272 HB3 ASN 38 2HB ASN 38 -3.580 9.081 12.817 273 HD21 ASN 38 1HD2 ASN 38 -6.418 8.629 13.341 274 HD22 ASN 38 2HD2 ASN 38 -6.713 9.269 14.931 275 H LYS 39 H LYS 39 -1.187 10.562 12.035 276 HA LYS 39 HA LYS 39 -0.315 11.100 14.718 277 HB2 LYS 39 1HB LYS 39 1.509 10.823 12.332 278 HB3 LYS 39 2HB LYS 39 1.807 10.293 13.988 279 HG2 LYS 39 1HG LYS 39 0.322 8.468 13.751 280 HG3 LYS 39 2HG LYS 39 -0.202 9.033 12.164 281 HD2 LYS 39 1HD LYS 39 2.233 8.890 11.479 282 HD3 LYS 39 2HD LYS 39 2.485 7.972 12.965 283 HE2 LYS 39 1HE LYS 39 2.151 6.475 11.116 284 HE3 LYS 39 2HE LYS 39 0.805 6.396 12.266 285 HZ1 LYS 39 3HZ LYS 39 -0.605 7.536 10.801 286 HZ2 LYS 39 1HZ LYS 39 0.180 6.473 9.767 287 HZ3 LYS 39 2HZ LYS 39 0.629 8.107 9.832 288 H VAL 40 H VAL 40 0.527 12.529 11.558 289 HA VAL 40 HA VAL 40 1.646 14.849 12.836 290 HB VAL 40 HB VAL 40 2.306 15.560 10.658 291 HG11 VAL 40 1HG1 VAL 40 3.752 13.697 9.968 292 HG12 VAL 40 2HG1 VAL 40 2.813 12.622 11.006 293 HG13 VAL 40 3HG1 VAL 40 3.738 13.943 11.715 294 HG21 VAL 40 3HG2 VAL 40 1.811 14.276 8.597 295 HG22 VAL 40 1HG2 VAL 40 0.360 14.956 9.333 296 HG23 VAL 40 2HG2 VAL 40 0.728 13.242 9.528 297 H LYS 41 H LYS 41 1.093 16.964 11.558 298 HA LYS 41 HA LYS 41 -1.839 17.265 11.669 299 HB2 LYS 41 1HB LYS 41 0.350 19.255 12.103 300 HB3 LYS 41 2HB LYS 41 -1.378 19.592 12.190 301 HG2 LYS 41 1HG LYS 41 -1.542 18.102 14.141 302 HG3 LYS 41 2HG LYS 41 0.184 17.748 14.006 303 HD2 LYS 41 1HD LYS 41 0.686 20.112 14.302 304 HD3 LYS 41 2HD LYS 41 -1.029 20.463 14.496 305 HE2 LYS 41 1HE LYS 41 -1.059 19.006 16.480 306 HE3 LYS 41 2HE LYS 41 0.675 18.737 16.287 307 HZ1 LYS 41 3HZ LYS 41 0.342 20.465 17.900 308 HZ2 LYS 41 1HZ LYS 41 -0.662 21.329 16.859 309 HZ3 LYS 41 2HZ LYS 41 0.968 21.171 16.513 310 H ASP 42 H ASP 42 1.036 17.862 9.891 311 HA ASP 42 HA ASP 42 0.683 19.956 8.276 312 HB2 ASP 42 1HB ASP 42 1.962 17.368 7.427 313 HB3 ASP 42 2HB ASP 42 2.133 18.903 6.562 314 H LYS 43 H LYS 43 0.638 17.383 6.016 315 HA LYS 43 HA LYS 43 -0.685 16.639 4.411 316 HB2 LYS 43 1HB LYS 43 -2.930 17.893 5.986 317 HB3 LYS 43 2HB LYS 43 -3.161 16.968 4.497 318 HG2 LYS 43 1HG LYS 43 -2.169 15.018 5.570 319 HG3 LYS 43 2HG LYS 43 -1.975 15.973 7.053 320 HD2 LYS 43 1HD LYS 43 -3.969 14.530 7.138 321 HD3 LYS 43 2HD LYS 43 -4.385 16.243 7.211 322 HE2 LYS 43 1HE LYS 43 -5.054 16.241 4.905 323 HE3 LYS 43 2HE LYS 43 -4.448 14.599 4.677 324 HZ1 LYS 43 3HZ LYS 43 -6.840 14.639 4.929 325 HZ2 LYS 43 1HZ LYS 43 -6.708 15.375 6.443 326 HZ3 LYS 43 2HZ LYS 43 -6.118 13.812 6.198 327 H ALA 44 H ALA 44 -1.034 19.849 5.280 328 HA ALA 44 HA ALA 44 -1.017 20.656 2.433 329 HB1 ALA 44 3HB ALA 44 -2.553 22.454 2.874 330 HB2 ALA 44 1HB ALA 44 -2.727 21.914 4.547 331 HB3 ALA 44 2HB ALA 44 -3.301 20.880 3.219 332 H GLU 45 H GLU 45 0.666 20.604 5.019 333 HA GLU 45 HA GLU 45 1.667 23.357 4.823 334 HB2 GLU 45 1HB GLU 45 2.178 21.198 6.882 335 HB3 GLU 45 2HB GLU 45 2.912 22.805 6.892 336 HG2 GLU 45 1HG GLU 45 0.740 23.820 7.212 337 HG3 GLU 45 2HG GLU 45 -0.037 22.242 7.101 338 H GLU 46 H GLU 46 1.925 20.784 3.192 339 HA GLU 46 HA GLU 46 4.635 20.054 3.505 340 HB2 GLU 46 1HB GLU 46 4.049 18.783 1.201 341 HB3 GLU 46 2HB GLU 46 3.679 18.190 2.823 342 HG2 GLU 46 1HG GLU 46 1.788 17.855 1.368 343 HG3 GLU 46 2HG GLU 46 1.398 19.018 2.614 344 H GLU 47 H GLU 47 6.261 21.027 2.991 345 HA GLU 47 HA GLU 47 6.290 23.145 1.038 346 HB2 GLU 47 1HB GLU 47 8.529 23.557 1.882 347 HB3 GLU 47 2HB GLU 47 7.368 23.326 3.202 348 HG2 GLU 47 1HG GLU 47 8.120 20.948 3.290 349 HG3 GLU 47 2HG GLU 47 9.399 21.456 2.176 350 H THR 48 H THR 48 7.202 19.828 1.163 351 HA THR 48 HA THR 48 7.817 19.747 -1.563 352 HB THR 48 HB THR 48 10.001 19.002 0.426 353 HG1 THR 48 HG1 THR 48 9.446 21.317 -0.760 354 HG21 THR 48 3HG2 THR 48 9.851 17.530 -1.497 355 HG22 THR 48 1HG2 THR 48 11.324 18.504 -1.577 356 HG23 THR 48 2HG2 THR 48 9.927 18.918 -2.583 357 H GLU 49 H GLU 49 6.187 18.416 -1.576 358 HA GLU 49 HA GLU 49 5.623 16.207 0.022 359 HB2 GLU 49 1HB GLU 49 5.168 16.208 -2.959 360 HB3 GLU 49 2HB GLU 49 4.247 15.350 -1.721 361 HG2 GLU 49 1HG GLU 49 2.843 17.070 -2.317 362 HG3 GLU 49 2HG GLU 49 3.646 17.715 -0.891 363 H GLU 50 H GLU 50 6.127 14.026 -0.137 364 HA GLU 50 HA GLU 50 8.641 13.453 -1.395 365 HB2 GLU 50 1HB GLU 50 8.341 11.208 -0.314 366 HB3 GLU 50 2HB GLU 50 8.449 12.574 0.777 367 HG2 GLU 50 1HG GLU 50 5.994 12.512 1.054 368 HG3 GLU 50 2HG GLU 50 5.929 11.103 -0.006 369 H LYS 51 H LYS 51 8.967 11.765 -2.884 370 HA LYS 51 HA LYS 51 6.531 10.921 -4.276 371 HB2 LYS 51 1HB LYS 51 9.258 11.115 -5.516 372 HB3 LYS 51 2HB LYS 51 7.726 10.896 -6.356 373 HG2 LYS 51 1HG LYS 51 8.228 13.118 -6.854 374 HG3 LYS 51 2HG LYS 51 7.202 13.250 -5.412 375 HD2 LYS 51 1HD LYS 51 9.142 13.487 -3.998 376 HD3 LYS 51 2HD LYS 51 10.208 13.275 -5.388 377 HE2 LYS 51 1HE LYS 51 9.318 15.332 -6.368 378 HE3 LYS 51 2HE LYS 51 8.247 15.523 -4.980 379 HZ1 LYS 51 3HZ LYS 51 11.212 15.491 -4.831 380 HZ2 LYS 51 1HZ LYS 51 10.154 15.756 -3.550 381 HZ3 LYS 51 2HZ LYS 51 10.266 16.875 -4.819 382 HA PRO 52 HA PRO 52 8.649 7.195 -2.747 383 HB2 PRO 52 1HB PRO 52 6.755 6.358 -1.151 384 HB3 PRO 52 2HB PRO 52 7.628 7.860 -0.737 385 HG2 PRO 52 1HG PRO 52 4.950 7.483 -2.023 386 HG3 PRO 52 2HG PRO 52 5.391 8.523 -0.651 387 HD2 PRO 52 1HD PRO 52 5.312 9.419 -3.300 388 HD3 PRO 52 2HD PRO 52 6.268 10.099 -1.955 389 H SER 53 H SER 53 7.709 4.880 -2.778 390 HA SER 53 HA SER 53 6.117 4.516 -5.119 391 HG SER 53 HG SER 53 8.682 3.117 -2.892 392 HB2 SER 53 1HB SER 53 6.565 2.074 -4.428 393 HB3 SER 53 2HB SER 53 7.969 3.021 -4.963 394 H VAL 54 H VAL 54 4.161 3.378 -4.959 395 HA VAL 54 HA VAL 54 2.901 3.637 -2.276 396 HB VAL 54 HB VAL 54 1.383 4.224 -4.881 397 HG11 VAL 54 1HG1 VAL 54 0.108 3.240 -3.032 398 HG12 VAL 54 2HG1 VAL 54 -0.387 4.855 -3.517 399 HG13 VAL 54 3HG1 VAL 54 0.558 4.632 -2.035 400 HG21 VAL 54 3HG2 VAL 54 3.074 5.945 -4.307 401 HG22 VAL 54 1HG2 VAL 54 2.310 6.126 -2.731 402 HG23 VAL 54 2HG2 VAL 54 1.402 6.525 -4.200 403 H TRP 55 H TRP 55 2.631 1.971 -1.506 404 HA TRP 55 HA TRP 55 2.081 -0.413 -3.105 405 HD1 TRP 55 HD1 TRP 55 5.304 1.287 -1.192 406 HE1 TRP 55 HE1 TRP 55 7.386 0.704 -2.535 407 HE3 TRP 55 HE3 TRP 55 3.787 -3.188 -3.108 408 HZ2 TRP 55 HZ2 TRP 55 8.303 -1.404 -4.186 409 HZ3 TRP 55 HZ3 TRP 55 5.330 -4.438 -4.554 410 HH2 TRP 55 HH2 TRP 55 7.539 -3.563 -5.087 411 HB2 TRP 55 1HB TRP 55 3.270 -0.175 -0.337 412 HB3 TRP 55 2HB TRP 55 2.951 -1.695 -1.179 413 H LEU 56 H LEU 56 0.261 -1.210 -2.977 414 HA LEU 56 HA LEU 56 -1.553 -0.470 -0.812 415 HG LEU 56 HG LEU 56 -3.749 -1.824 -1.215 416 HB2 LEU 56 1HB LEU 56 -2.442 0.037 -2.962 417 HB3 LEU 56 2HB LEU 56 -2.254 -1.619 -3.528 418 HD11 LEU 56 1HD1 LEU 56 -5.630 -0.325 -1.503 419 HD12 LEU 56 2HD1 LEU 56 -4.744 0.534 -2.763 420 HD13 LEU 56 3HD1 LEU 56 -4.135 0.518 -1.108 421 HD21 LEU 56 3HD2 LEU 56 -4.029 -3.170 -3.114 422 HD22 LEU 56 1HD2 LEU 56 -4.585 -1.796 -4.080 423 HD23 LEU 56 2HD2 LEU 56 -5.580 -2.405 -2.734 424 H CYS 57 H CYS 57 -1.945 -1.907 0.676 425 HA CYS 57 HA CYS 57 -0.987 -4.586 0.866 426 HB2 CYS 57 1HB CYS 57 -1.660 -2.941 2.710 427 HB3 CYS 57 2HB CYS 57 -3.321 -3.346 2.315 428 H LEU 58 H LEU 58 -1.633 -6.214 -0.490 429 HA LEU 58 HA LEU 58 -4.101 -6.303 -1.903 430 HG LEU 58 HG LEU 58 -1.870 -6.102 -3.112 431 HB2 LEU 58 1HB LEU 58 -1.780 -8.082 -1.300 432 HB3 LEU 58 2HB LEU 58 -3.152 -8.642 -2.244 433 HD11 LEU 58 1HD1 LEU 58 0.005 -7.637 -2.674 434 HD12 LEU 58 2HD1 LEU 58 -0.273 -7.274 -4.371 435 HD13 LEU 58 3HD1 LEU 58 -0.783 -8.851 -3.710 436 HD21 LEU 58 3HD2 LEU 58 -3.014 -8.509 -4.434 437 HD22 LEU 58 1HD2 LEU 58 -2.484 -7.046 -5.261 438 HD23 LEU 58 2HD2 LEU 58 -3.867 -6.984 -4.150 439 H LYS 59 H LYS 59 -3.287 -6.812 1.076 440 HA LYS 59 HA LYS 59 -5.140 -8.915 1.629 441 HB2 LYS 59 1HB LYS 59 -3.105 -9.031 2.784 442 HB3 LYS 59 2HB LYS 59 -3.247 -7.370 3.369 443 HG2 LYS 59 1HG LYS 59 -3.771 -8.770 5.171 444 HG3 LYS 59 2HG LYS 59 -5.232 -8.023 4.474 445 HD2 LYS 59 1HD LYS 59 -5.870 -10.030 3.406 446 HD3 LYS 59 2HD LYS 59 -4.337 -10.831 3.791 447 HE2 LYS 59 1HE LYS 59 -4.851 -10.571 6.142 448 HE3 LYS 59 2HE LYS 59 -6.462 -9.938 5.692 449 HZ1 LYS 59 3HZ LYS 59 -6.931 -12.100 4.646 450 HZ2 LYS 59 1HZ LYS 59 -6.582 -12.198 6.291 451 HZ3 LYS 59 2HZ LYS 59 -5.417 -12.666 5.183 452 H CYS 60 H CYS 60 -4.913 -5.456 2.288 453 HA CYS 60 HA CYS 60 -7.775 -5.576 3.135 454 HB2 CYS 60 1HB CYS 60 -7.440 -4.176 5.004 455 HB3 CYS 60 2HB CYS 60 -6.259 -5.501 5.069 456 H GLY 61 H GLY 61 -5.636 -3.976 1.126 457 HA2 GLY 61 1HA GLY 61 -6.209 -2.326 -0.313 458 HA3 GLY 61 2HA GLY 61 -7.706 -2.043 0.593 459 H HIS 62 H HIS 62 -4.947 -2.147 2.566 460 HA HIS 62 HA HIS 62 -4.867 0.691 3.160 461 HD1 HIS 62 HD1 HIS 62 -2.573 1.595 5.677 462 HD2 HIS 62 HD2 HIS 62 -0.628 -1.046 3.113 463 HE1 HIS 62 HE1 HIS 62 -0.138 2.256 5.642 464 HB2 HIS 62 1HB HIS 62 -4.024 -0.535 4.984 465 HB3 HIS 62 2HB HIS 62 -3.240 -1.727 3.945 466 H GLN 63 H GLN 63 -3.917 2.160 2.213 467 HA GLN 63 HA GLN 63 -1.985 1.342 0.210 468 HB2 GLN 63 1HB GLN 63 -4.135 2.768 -0.212 469 HB3 GLN 63 2HB GLN 63 -3.023 4.075 0.230 470 HG2 GLN 63 1HG GLN 63 -1.498 3.406 -1.492 471 HG3 GLN 63 2HG GLN 63 -2.596 2.099 -1.969 472 HE21 GLN 63 1HE2 GLN 63 -4.916 3.810 -1.468 473 HE22 GLN 63 2HE2 GLN 63 -4.934 4.946 -2.780 474 H GLY 64 H GLY 64 -0.017 1.736 0.736 475 HA2 GLY 64 1HA GLY 64 0.680 3.905 2.553 476 HA3 GLY 64 2HA GLY 64 1.351 2.279 2.699 477 H CYS 65 H CYS 65 2.895 4.363 2.534 478 HA CYS 65 HA CYS 65 3.845 4.483 -0.188 479 HB2 CYS 65 1HB CYS 65 5.222 6.395 0.723 480 HB3 CYS 65 2HB CYS 65 3.472 6.609 0.813 481 H GLY 66 H GLY 66 5.801 3.674 -0.698 482 HA2 GLY 66 1HA GLY 66 6.745 1.489 0.813 483 HA3 GLY 66 2HA GLY 66 7.448 2.118 -0.679 484 H ARG 67 H ARG 67 9.364 1.360 0.417 485 HA ARG 67 HA ARG 67 10.274 2.476 2.861 486 HE ARG 67 HE ARG 67 11.390 -1.217 -0.412 487 HB2 ARG 67 1HB ARG 67 12.248 1.240 2.512 488 HB3 ARG 67 2HB ARG 67 10.937 0.270 1.849 489 HG2 ARG 67 1HG ARG 67 11.476 1.186 -0.380 490 HG3 ARG 67 2HG ARG 67 12.862 1.981 0.363 491 HD2 ARG 67 1HD ARG 67 13.645 -0.065 -0.636 492 HD3 ARG 67 2HD ARG 67 13.677 -0.243 1.120 493 HH11 ARG 67 1HH1 ARG 67 14.056 -1.904 1.808 494 HH12 ARG 67 2HH1 ARG 67 13.672 -3.556 1.958 495 HH21 ARG 67 1HH2 ARG 67 10.909 -3.456 -0.225 496 HH22 ARG 67 2HH2 ARG 67 11.849 -4.450 0.807 497 H ASN 68 H ASN 68 10.149 3.850 -0.168 498 HA ASN 68 HA ASN 68 12.574 5.398 0.213 499 HB2 ASN 68 1HB ASN 68 11.959 6.378 -1.890 500 HB3 ASN 68 2HB ASN 68 12.493 4.676 -2.031 501 HD21 ASN 68 1HD2 ASN 68 11.233 6.001 -4.034 502 HD22 ASN 68 2HD2 ASN 68 9.644 5.370 -4.289 503 H SER 69 H SER 69 9.762 5.620 1.326 504 HA SER 69 HA SER 69 9.336 8.459 0.900 505 HG SER 69 HG SER 69 7.806 5.429 2.321 506 HB2 SER 69 1HB SER 69 7.363 8.185 2.393 507 HB3 SER 69 2HB SER 69 7.333 7.067 1.023 508 H GLN 70 H GLN 70 8.769 9.608 3.251 509 HA GLN 70 HA GLN 70 11.194 9.488 4.775 510 HB2 GLN 70 1HB GLN 70 10.098 11.607 4.401 511 HB3 GLN 70 2HB GLN 70 8.626 11.024 5.184 512 HG2 GLN 70 1HG GLN 70 9.853 10.865 7.307 513 HG3 GLN 70 2HG GLN 70 11.293 11.481 6.504 514 HE21 GLN 70 1HE2 GLN 70 11.384 13.238 7.880 515 HE22 GLN 70 2HE2 GLN 70 10.281 14.577 7.739 516 H GLU 71 H GLU 71 7.847 8.598 5.289 517 HA GLU 71 HA GLU 71 8.526 7.667 7.976 518 HB2 GLU 71 1HB GLU 71 5.856 8.199 6.724 519 HB3 GLU 71 2HB GLU 71 6.112 7.621 8.380 520 HG2 GLU 71 1HG GLU 71 7.179 10.193 7.255 521 HG3 GLU 71 2HG GLU 71 5.719 10.018 8.245 522 H GLN 72 H GLN 72 7.559 6.487 4.928 523 HA GLN 72 HA GLN 72 7.248 4.420 4.055 524 HB2 GLN 72 1HB GLN 72 8.909 3.411 6.384 525 HB3 GLN 72 2HB GLN 72 8.780 2.701 4.767 526 HG2 GLN 72 1HG GLN 72 9.891 4.742 3.848 527 HG3 GLN 72 2HG GLN 72 10.036 5.305 5.520 528 HE21 GLN 72 1HE2 GLN 72 10.612 2.004 4.561 529 HE22 GLN 72 2HE2 GLN 72 12.300 2.255 4.938 530 H HIS 73 H HIS 73 4.974 5.010 5.062 531 HA HIS 73 HA HIS 73 4.042 3.788 7.289 532 HD2 HIS 73 HD2 HIS 73 3.025 5.732 8.674 533 HE1 HIS 73 HE1 HIS 73 2.324 9.143 6.209 534 HE2 HIS 73 HE2 HIS 73 2.670 8.343 8.643 535 HB2 HIS 73 1HB HIS 73 2.799 4.823 4.793 536 HB3 HIS 73 2HB HIS 73 1.868 4.139 6.120 537 H ALA 74 H ALA 74 4.483 2.489 4.039 538 HA ALA 74 HA ALA 74 2.746 0.180 4.321 539 HB1 ALA 74 3HB ALA 74 3.584 1.020 2.120 540 HB2 ALA 74 1HB ALA 74 3.945 -0.684 2.405 541 HB3 ALA 74 2HB ALA 74 5.209 0.527 2.601 542 H LEU 75 H LEU 75 6.032 0.862 5.232 543 HA LEU 75 HA LEU 75 6.465 -1.860 5.957 544 HG LEU 75 HG LEU 75 8.725 -2.335 5.560 545 HB2 LEU 75 1HB LEU 75 8.070 0.561 5.932 546 HB3 LEU 75 2HB LEU 75 8.424 -0.565 7.247 547 HD11 LEU 75 1HD1 LEU 75 8.597 -0.094 3.547 548 HD12 LEU 75 2HD1 LEU 75 7.426 -1.405 3.740 549 HD13 LEU 75 3HD1 LEU 75 9.069 -1.774 3.245 550 HD21 LEU 75 3HD2 LEU 75 10.447 -1.174 6.583 551 HD22 LEU 75 1HD2 LEU 75 10.414 0.094 5.355 552 HD23 LEU 75 2HD2 LEU 75 10.893 -1.574 4.902 553 H LYS 76 H LYS 76 5.894 1.225 7.789 554 HA LYS 76 HA LYS 76 5.751 0.093 10.202 555 HB2 LYS 76 1HB LYS 76 4.114 2.344 9.029 556 HB3 LYS 76 2HB LYS 76 4.161 1.935 10.755 557 HG2 LYS 76 1HG LYS 76 6.589 2.234 10.664 558 HG3 LYS 76 2HG LYS 76 6.408 2.781 8.991 559 HD2 LYS 76 1HD LYS 76 5.119 4.664 9.692 560 HD3 LYS 76 2HD LYS 76 5.085 4.089 11.375 561 HE2 LYS 76 1HE LYS 76 7.501 4.027 11.277 562 HE3 LYS 76 2HE LYS 76 7.455 4.906 9.747 563 HZ1 LYS 76 3HZ LYS 76 7.808 6.508 11.476 564 HZ2 LYS 76 1HZ LYS 76 6.526 5.936 12.393 565 HZ3 LYS 76 2HZ LYS 76 6.230 6.717 10.934 566 H HIS 77 H HIS 77 3.452 -0.138 7.541 567 HA HIS 77 HA HIS 77 1.358 -1.242 9.155 568 HD1 HIS 77 HD1 HIS 77 -1.227 -0.930 8.607 569 HD2 HIS 77 HD2 HIS 77 -0.141 -3.296 5.344 570 HE1 HIS 77 HE1 HIS 77 -3.210 -2.303 8.085 571 HB2 HIS 77 1HB HIS 77 0.958 -0.064 7.006 572 HB3 HIS 77 2HB HIS 77 1.710 -1.421 6.160 573 H TYR 78 H TYR 78 4.111 -2.510 7.323 574 HA TYR 78 HA TYR 78 3.204 -5.157 7.818 575 HD1 TYR 78 HD2 TYR 78 3.865 -7.220 7.018 576 HD2 TYR 78 HD1 TYR 78 7.737 -5.571 7.686 577 HE1 TYR 78 HE2 TYR 78 4.748 -9.474 7.421 578 HE2 TYR 78 HE1 TYR 78 8.629 -7.824 8.096 579 HH TYR 78 HH TYR 78 6.808 -10.662 7.399 580 HB2 TYR 78 1HB TYR 78 4.759 -4.760 6.108 581 HB3 TYR 78 2HB TYR 78 5.965 -4.104 7.230 582 H LEU 79 H LEU 79 5.198 -2.857 9.714 583 HA LEU 79 HA LEU 79 5.903 -4.855 11.564 584 HG LEU 79 HG LEU 79 7.457 -2.628 9.767 585 HB2 LEU 79 1HB LEU 79 6.183 -1.858 11.638 586 HB3 LEU 79 2HB LEU 79 6.982 -3.007 12.713 587 HD11 LEU 79 1HD1 LEU 79 9.241 -2.201 12.142 588 HD12 LEU 79 2HD1 LEU 79 8.495 -0.951 11.146 589 HD13 LEU 79 3HD1 LEU 79 9.711 -2.023 10.451 590 HD21 LEU 79 3HD2 LEU 79 9.154 -4.387 9.965 591 HD22 LEU 79 1HD2 LEU 79 7.516 -4.963 10.298 592 HD23 LEU 79 2HD2 LEU 79 8.635 -4.673 11.636 593 H THR 80 H THR 80 3.161 -3.322 10.935 594 HA THR 80 HA THR 80 2.163 -2.609 13.506 595 HB THR 80 HB THR 80 0.658 -3.653 11.087 596 HG1 THR 80 HG1 THR 80 1.833 -1.346 11.480 597 HG21 THR 80 3HG2 THR 80 -1.374 -2.689 12.123 598 HG22 THR 80 1HG2 THR 80 -0.444 -2.327 13.580 599 HG23 THR 80 2HG2 THR 80 -0.696 -4.003 13.073 600 HA PRO 81 HA PRO 81 1.955 -6.927 14.870 601 HB2 PRO 81 1HB PRO 81 1.375 -6.521 17.445 602 HB3 PRO 81 2HB PRO 81 3.001 -6.230 16.791 603 HG2 PRO 81 1HG PRO 81 0.836 -4.295 17.434 604 HG3 PRO 81 2HG PRO 81 2.607 -4.235 17.680 605 HD2 PRO 81 1HD PRO 81 1.258 -2.993 15.582 606 HD3 PRO 81 2HD PRO 81 2.989 -3.417 15.578 607 H ARG 82 H ARG 82 0.392 -8.131 14.731 608 HA ARG 82 HA ARG 82 -2.336 -7.579 15.530 609 HE ARG 82 HE ARG 82 -0.377 -8.067 9.813 610 HB2 ARG 82 1HB ARG 82 -3.192 -7.906 13.144 611 HB3 ARG 82 2HB ARG 82 -2.448 -6.341 13.519 612 HG2 ARG 82 1HG ARG 82 -0.417 -7.015 12.503 613 HG3 ARG 82 2HG ARG 82 -1.043 -8.643 12.231 614 HD2 ARG 82 1HD ARG 82 -2.593 -7.839 10.636 615 HD3 ARG 82 2HD ARG 82 -2.216 -6.148 11.023 616 HH11 ARG 82 1HH1 ARG 82 -1.651 -4.777 10.058 617 HH12 ARG 82 2HH1 ARG 82 -0.288 -4.065 9.309 618 HH21 ARG 82 1HH2 ARG 82 1.393 -7.100 8.700 619 HH22 ARG 82 2HH2 ARG 82 1.444 -5.385 8.515 620 H SER 83 H SER 83 -3.771 -9.428 14.277 621 HA SER 83 HA SER 83 -2.447 -11.861 15.080 622 HG SER 83 HG SER 83 -4.219 -13.306 16.077 623 HB2 SER 83 1HB SER 83 -4.776 -11.204 15.881 624 HB3 SER 83 2HB SER 83 -5.333 -11.494 14.235 625 H GLU 84 H GLU 84 -3.660 -10.259 12.211 626 HA GLU 84 HA GLU 84 -3.158 -12.595 10.528 627 HB2 GLU 84 1HB GLU 84 -4.113 -9.831 9.857 628 HB3 GLU 84 2HB GLU 84 -3.983 -11.144 8.692 629 HG2 GLU 84 1HG GLU 84 -5.607 -12.402 10.183 630 HG3 GLU 84 2HG GLU 84 -5.900 -10.848 10.973 631 HA PRO 85 HA PRO 85 0.798 -11.145 9.189 632 HB2 PRO 85 1HB PRO 85 0.940 -11.825 6.557 633 HB3 PRO 85 2HB PRO 85 1.033 -13.012 7.874 634 HG2 PRO 85 1HG PRO 85 -1.275 -12.284 6.123 635 HG3 PRO 85 2HG PRO 85 -0.772 -13.881 6.719 636 HD2 PRO 85 1HD PRO 85 -2.808 -12.419 7.783 637 HD3 PRO 85 2HD PRO 85 -1.860 -13.608 8.709 638 H HIS 86 H HIS 86 -1.570 -10.308 6.657 639 HA HIS 86 HA HIS 86 -1.712 -8.562 5.123 640 HD2 HIS 86 HD2 HIS 86 -3.292 -9.032 8.171 641 HE1 HIS 86 HE1 HIS 86 -5.937 -5.986 6.932 642 HE2 HIS 86 HE2 HIS 86 -5.752 -8.180 8.172 643 HB2 HIS 86 1HB HIS 86 -1.018 -7.101 7.664 644 HB3 HIS 86 2HB HIS 86 -1.359 -6.253 6.151 645 H CYS 87 H CYS 87 0.448 -9.803 4.598 646 HA CYS 87 HA CYS 87 2.608 -7.903 4.817 647 HG CYS 87 HG CYS 87 2.063 -11.556 3.111 648 HB2 CYS 87 1HB CYS 87 4.056 -9.876 4.147 649 HB3 CYS 87 2HB CYS 87 3.336 -9.794 5.760 650 H LEU 88 H LEU 88 0.427 -8.279 2.644 651 HA LEU 88 HA LEU 88 2.163 -8.409 0.248 652 HG LEU 88 HG LEU 88 0.570 -11.070 1.294 653 HB2 LEU 88 1HB LEU 88 -0.603 -9.396 0.696 654 HB3 LEU 88 2HB LEU 88 0.017 -9.271 -0.922 655 HD11 LEU 88 1HD1 LEU 88 0.581 -12.771 -0.438 656 HD12 LEU 88 2HD1 LEU 88 0.452 -11.514 -1.658 657 HD13 LEU 88 3HD1 LEU 88 -0.925 -11.814 -0.543 658 HD21 LEU 88 3HD2 LEU 88 2.529 -10.535 -0.865 659 HD22 LEU 88 1HD2 LEU 88 2.585 -11.967 0.175 660 HD23 LEU 88 2HD2 LEU 88 2.723 -10.353 0.881 661 H VAL 89 H VAL 89 2.421 -6.932 -0.800 662 HA VAL 89 HA VAL 89 0.260 -4.986 -0.979 663 HB VAL 89 HB VAL 89 1.858 -3.138 -0.889 664 HG11 VAL 89 1HG1 VAL 89 0.729 -3.584 1.180 665 HG12 VAL 89 2HG1 VAL 89 2.415 -3.184 1.540 666 HG13 VAL 89 3HG1 VAL 89 1.882 -4.864 1.562 667 HG21 VAL 89 3HG2 VAL 89 3.786 -4.383 -1.598 668 HG22 VAL 89 1HG2 VAL 89 3.892 -5.183 -0.035 669 HG23 VAL 89 2HG2 VAL 89 4.155 -3.427 -0.150 670 H LEU 90 H LEU 90 0.104 -4.113 -2.983 671 HA LEU 90 HA LEU 90 2.089 -4.993 -4.931 672 HG LEU 90 HG LEU 90 -1.075 -3.184 -4.821 673 HB2 LEU 90 1HB LEU 90 0.435 -4.914 -6.616 674 HB3 LEU 90 2HB LEU 90 -0.366 -5.645 -5.235 675 HD11 LEU 90 1HD1 LEU 90 0.117 -2.253 -6.695 676 HD12 LEU 90 2HD1 LEU 90 -1.624 -2.082 -7.021 677 HD13 LEU 90 3HD1 LEU 90 -0.674 -3.383 -7.774 678 HD21 LEU 90 3HD2 LEU 90 -2.417 -5.013 -6.807 679 HD22 LEU 90 1HD2 LEU 90 -3.188 -3.630 -6.033 680 HD23 LEU 90 2HD2 LEU 90 -2.645 -4.986 -5.054 681 H SER 91 H SER 91 2.814 -3.406 -6.467 682 HA SER 91 HA SER 91 2.882 -0.757 -5.301 683 HG SER 91 HG SER 91 5.534 -1.870 -8.076 684 HB2 SER 91 1HB SER 91 4.891 -0.459 -6.528 685 HB3 SER 91 2HB SER 91 4.867 -2.146 -5.997 686 H LEU 92 H LEU 92 1.992 0.966 -6.182 687 HA LEU 92 HA LEU 92 0.359 0.726 -8.578 688 HG LEU 92 HG LEU 92 -0.679 0.937 -5.913 689 HB2 LEU 92 1HB LEU 92 0.852 2.876 -6.548 690 HB3 LEU 92 2HB LEU 92 -0.194 3.124 -7.944 691 HD11 LEU 92 1HD1 LEU 92 -0.700 3.200 -4.900 692 HD12 LEU 92 2HD1 LEU 92 -2.262 2.384 -4.910 693 HD13 LEU 92 3HD1 LEU 92 -1.923 3.653 -6.090 694 HD21 LEU 92 3HD2 LEU 92 -2.438 2.378 -7.803 695 HD22 LEU 92 1HD2 LEU 92 -2.874 0.981 -6.815 696 HD23 LEU 92 2HD2 LEU 92 -1.717 0.791 -8.164 697 H ASP 93 H ASP 93 3.369 0.849 -8.291 698 HA ASP 93 HA ASP 93 3.972 3.168 -9.974 699 HB2 ASP 93 1HB ASP 93 5.770 1.436 -8.273 700 HB3 ASP 93 2HB ASP 93 6.347 2.727 -9.337 701 H ASN 94 H ASN 94 5.084 -0.140 -9.522 702 HA ASN 94 HA ASN 94 5.509 -0.232 -12.447 703 HB2 ASN 94 1HB ASN 94 7.590 -0.448 -11.094 704 HB3 ASN 94 2HB ASN 94 6.889 -1.859 -10.295 705 HD21 ASN 94 1HD2 ASN 94 8.227 -0.620 -13.208 706 HD22 ASN 94 2HD2 ASN 94 8.555 -2.173 -13.924 707 H TRP 95 H TRP 95 3.567 -1.211 -10.010 708 HA TRP 95 HA TRP 95 2.071 -2.748 -9.637 709 HD1 TRP 95 HD1 TRP 95 1.965 -0.838 -13.447 710 HE1 TRP 95 HE1 TRP 95 0.120 0.915 -13.219 711 HE3 TRP 95 HE3 TRP 95 -0.874 -3.132 -9.889 712 HZ2 TRP 95 HZ2 TRP 95 -2.250 1.296 -11.701 713 HZ3 TRP 95 HZ3 TRP 95 -2.913 -2.007 -9.100 714 HH2 TRP 95 HH2 TRP 95 -3.582 0.161 -9.991 715 HB2 TRP 95 1HB TRP 95 2.231 -3.313 -12.621 716 HB3 TRP 95 2HB TRP 95 0.992 -3.958 -11.548 717 H SER 96 H SER 96 4.097 -3.472 -8.552 718 HA SER 96 HA SER 96 4.616 -6.227 -9.395 719 HG SER 96 HG SER 96 6.149 -4.548 -10.196 720 HB2 SER 96 1HB SER 96 6.155 -4.600 -7.424 721 HB3 SER 96 2HB SER 96 6.619 -6.115 -8.201 722 H VAL 97 H VAL 97 4.901 -7.629 -7.447 723 HA VAL 97 HA VAL 97 3.204 -6.670 -5.304 724 HB VAL 97 HB VAL 97 3.445 -9.395 -6.579 725 HG11 VAL 97 1HG1 VAL 97 2.233 -8.683 -3.954 726 HG12 VAL 97 2HG1 VAL 97 3.753 -9.574 -4.218 727 HG13 VAL 97 3HG1 VAL 97 2.191 -10.276 -4.770 728 HG21 VAL 97 3HG2 VAL 97 1.071 -7.859 -5.661 729 HG22 VAL 97 1HG2 VAL 97 1.161 -9.317 -6.639 730 HG23 VAL 97 2HG2 VAL 97 1.728 -7.755 -7.301 731 H TRP 98 H TRP 98 3.946 -7.013 -3.264 732 HA TRP 98 HA TRP 98 6.620 -8.141 -3.067 733 HD1 TRP 98 HD1 TRP 98 7.138 -6.585 0.686 734 HE1 TRP 98 HE1 TRP 98 9.646 -7.038 1.002 735 HE3 TRP 98 HE3 TRP 98 8.568 -6.390 -4.188 736 HZ2 TRP 98 HZ2 TRP 98 11.889 -7.302 -0.611 737 HZ3 TRP 98 HZ3 TRP 98 10.886 -6.758 -4.769 738 HH2 TRP 98 HH2 TRP 98 12.577 -7.191 -3.007 739 HB2 TRP 98 1HB TRP 98 6.506 -5.533 -2.876 740 HB3 TRP 98 2HB TRP 98 5.691 -5.869 -1.344 741 H CYS 99 H CYS 99 6.884 -9.619 -1.438 742 HA CYS 99 HA CYS 99 4.662 -9.746 0.434 743 HB2 CYS 99 1HB CYS 99 4.574 -11.755 -0.839 744 HB3 CYS 99 2HB CYS 99 6.309 -12.043 -0.761 745 H TYR 100 H TYR 100 5.292 -9.089 2.310 746 HA TYR 100 HA TYR 100 8.034 -8.419 2.734 747 HD1 TYR 100 HD1 TYR 100 8.188 -5.836 3.639 748 HD2 TYR 100 HD2 TYR 100 4.159 -7.159 3.834 749 HE1 TYR 100 HE1 TYR 100 7.466 -3.636 2.930 750 HE2 TYR 100 HE2 TYR 100 3.403 -4.902 3.087 751 HH TYR 100 HH TYR 100 4.262 -2.623 3.102 752 HB2 TYR 100 1HB TYR 100 5.746 -8.490 4.649 753 HB3 TYR 100 2HB TYR 100 7.352 -7.885 5.043 754 H VAL 101 H VAL 101 6.171 -11.178 3.588 755 HA VAL 101 HA VAL 101 8.113 -12.000 5.579 756 HB VAL 101 HB VAL 101 5.732 -12.344 6.007 757 HG11 VAL 101 1HG1 VAL 101 4.978 -12.649 3.824 758 HG12 VAL 101 2HG1 VAL 101 4.506 -14.105 4.739 759 HG13 VAL 101 3HG1 VAL 101 5.910 -14.109 3.640 760 HG21 VAL 101 3HG2 VAL 101 7.220 -14.963 5.757 761 HG22 VAL 101 1HG2 VAL 101 5.787 -14.691 6.749 762 HG23 VAL 101 2HG2 VAL 101 7.294 -13.854 7.126 763 H CYS 102 H CYS 102 7.634 -12.428 2.203 764 HA CYS 102 HA CYS 102 9.416 -14.744 2.137 765 HB2 CYS 102 1HB CYS 102 7.822 -13.195 0.115 766 HB3 CYS 102 2HB CYS 102 9.212 -14.151 -0.398 767 H ASP 103 H ASP 103 9.014 -11.405 1.682 768 HA ASP 103 HA ASP 103 10.082 -9.696 1.119 769 HB2 ASP 103 1HB ASP 103 11.249 -10.119 3.290 770 HB3 ASP 103 2HB ASP 103 12.539 -10.907 2.365 771 H ASN 104 H ASN 104 9.594 -10.596 -0.974 772 HA ASN 104 HA ASN 104 11.766 -9.931 -2.569 773 HB2 ASN 104 1HB ASN 104 11.791 -11.937 -3.880 774 HB3 ASN 104 2HB ASN 104 11.975 -12.394 -2.161 775 HD21 ASN 104 1HD2 ASN 104 9.821 -12.237 -4.802 776 HD22 ASN 104 2HD2 ASN 104 8.537 -13.116 -4.114 777 H GLU 105 H GLU 105 10.724 -10.185 -4.886 778 HA GLU 105 HA GLU 105 8.198 -8.837 -4.955 779 HB2 GLU 105 1HB GLU 105 10.118 -8.273 -6.198 780 HB3 GLU 105 2HB GLU 105 10.039 -9.798 -7.077 781 HG2 GLU 105 1HG GLU 105 7.830 -9.301 -7.810 782 HG3 GLU 105 2HG GLU 105 7.917 -7.722 -7.033 783 H VAL 106 H VAL 106 6.303 -9.903 -5.581 784 HA VAL 106 HA VAL 106 6.557 -12.727 -6.276 785 HB VAL 106 HB VAL 106 3.942 -11.316 -5.553 786 HG11 VAL 106 1HG1 VAL 106 3.138 -13.601 -5.135 787 HG12 VAL 106 2HG1 VAL 106 4.702 -14.249 -5.627 788 HG13 VAL 106 3HG1 VAL 106 3.681 -13.418 -6.802 789 HG21 VAL 106 3HG2 VAL 106 5.539 -11.206 -3.683 790 HG22 VAL 106 1HG2 VAL 106 5.788 -12.949 -3.828 791 HG23 VAL 106 2HG2 VAL 106 4.211 -12.325 -3.334 792 H GLN 107 H GLN 107 5.378 -13.617 -7.988 793 HA GLN 107 HA GLN 107 4.992 -11.886 -10.248 794 HB2 GLN 107 1HB GLN 107 5.888 -13.801 -11.611 795 HB3 GLN 107 2HB GLN 107 7.095 -13.087 -10.539 796 HG2 GLN 107 1HG GLN 107 5.570 -15.614 -9.888 797 HG3 GLN 107 2HG GLN 107 7.120 -15.607 -10.724 798 HE21 GLN 107 1HE2 GLN 107 6.205 -16.621 -8.046 799 HE22 GLN 107 2HE2 GLN 107 7.361 -15.941 -6.936 800 H TYR 108 H TYR 108 3.210 -12.160 -11.100 801 HA TYR 108 HA TYR 108 1.427 -14.458 -10.527 802 HD1 TYR 108 HD1 TYR 108 -0.546 -10.915 -11.836 803 HD2 TYR 108 HD2 TYR 108 2.165 -11.004 -8.591 804 HE1 TYR 108 HE1 TYR 108 -0.171 -8.518 -12.099 805 HE2 TYR 108 HE2 TYR 108 2.563 -8.678 -8.785 806 HH TYR 108 HH TYR 108 2.356 -6.868 -10.605 807 HB2 TYR 108 1HB TYR 108 -0.448 -12.814 -10.327 808 HB3 TYR 108 2HB TYR 108 0.711 -12.849 -8.990 809 H CYS 109 H CYS 109 -0.365 -14.678 -11.912 810 HA CYS 109 HA CYS 109 -0.173 -13.337 -14.487 811 HG CYS 109 HG CYS 109 -0.488 -14.426 -16.879 812 HB2 CYS 109 1HB CYS 109 0.823 -15.678 -14.524 813 HB3 CYS 109 2HB CYS 109 -0.773 -16.275 -14.046 814 H SER 110 H SER 110 -2.423 -13.690 -15.624 815 HA SER 110 HA SER 110 -4.344 -12.619 -13.836 816 HG SER 110 HG SER 110 -4.254 -10.904 -16.159 817 HB2 SER 110 1HB SER 110 -4.779 -13.575 -16.668 818 HB3 SER 110 2HB SER 110 -5.722 -12.376 -15.788 819 H SER 111 H SER 111 -3.629 -15.838 -14.807 820 HA SER 111 HA SER 111 -6.180 -16.902 -14.043 821 HG SER 111 HG SER 111 -3.141 -17.846 -16.138 822 HB2 SER 111 1HB SER 111 -4.769 -19.052 -14.442 823 HB3 SER 111 2HB SER 111 -5.183 -18.023 -15.831 824 H ASN 112 H ASN 112 -3.638 -15.730 -12.352 825 HA ASN 112 HA ASN 112 -3.959 -17.633 -10.131 826 HB2 ASN 112 1HB ASN 112 -1.618 -17.165 -10.860 827 HB3 ASN 112 2HB ASN 112 -1.888 -15.449 -10.540 828 HD21 ASN 112 1HD2 ASN 112 -1.327 -18.555 -9.169 829 HD22 ASN 112 2HD2 ASN 112 -1.082 -18.024 -7.535 830 H GLN 113 H GLN 113 -4.633 -16.760 -8.090 831 HA GLN 113 HA GLN 113 -6.608 -14.772 -8.204 832 HB2 GLN 113 1HB GLN 113 -6.392 -16.514 -6.389 833 HB3 GLN 113 2HB GLN 113 -5.080 -15.544 -5.709 834 HG2 GLN 113 1HG GLN 113 -6.753 -13.629 -5.673 835 HG3 GLN 113 2HG GLN 113 -8.012 -14.841 -5.863 836 HE21 GLN 113 1HE2 GLN 113 -5.032 -14.988 -3.996 837 HE22 GLN 113 2HE2 GLN 113 -5.822 -15.036 -2.448 838 H LEU 114 H LEU 114 -3.110 -14.457 -7.440 839 HA LEU 114 HA LEU 114 -3.279 -11.856 -6.313 840 HG LEU 114 HG LEU 114 -0.468 -11.056 -7.438 841 HB2 LEU 114 1HB LEU 114 -1.459 -13.469 -5.944 842 HB3 LEU 114 2HB LEU 114 -1.088 -13.405 -7.666 843 HD11 LEU 114 1HD1 LEU 114 -1.044 -11.502 -4.520 844 HD12 LEU 114 2HD1 LEU 114 -1.933 -10.450 -5.631 845 HD13 LEU 114 3HD1 LEU 114 -0.253 -10.084 -5.217 846 HD21 LEU 114 3HD2 LEU 114 0.901 -12.726 -5.364 847 HD22 LEU 114 1HD2 LEU 114 1.583 -11.407 -6.294 848 HD23 LEU 114 2HD2 LEU 114 1.163 -12.928 -7.088 849 H GLY 115 H GLY 115 -2.837 -13.207 -9.466 850 HA2 GLY 115 1HA GLY 115 -2.315 -10.687 -10.735 851 HA3 GLY 115 2HA GLY 115 -2.755 -12.180 -11.578 852 H GLN 116 H GLN 116 -5.240 -12.757 -10.293 853 HA GLN 116 HA GLN 116 -7.075 -11.316 -11.643 854 HB2 GLN 116 1HB GLN 116 -7.254 -12.838 -9.046 855 HB3 GLN 116 2HB GLN 116 -8.654 -12.278 -9.974 856 HG2 GLN 116 1HG GLN 116 -7.835 -13.504 -11.840 857 HG3 GLN 116 2HG GLN 116 -6.541 -14.179 -10.865 858 HE21 GLN 116 1HE2 GLN 116 -6.923 -15.856 -9.604 859 HE22 GLN 116 2HE2 GLN 116 -8.448 -16.651 -9.376 860 H VAL 117 H VAL 117 -5.796 -10.821 -8.446 861 HA VAL 117 HA VAL 117 -7.795 -8.895 -8.036 862 HB VAL 117 HB VAL 117 -5.807 -10.037 -6.145 863 HG11 VAL 117 1HG1 VAL 117 -5.496 -7.597 -5.900 864 HG12 VAL 117 2HG1 VAL 117 -6.259 -8.330 -4.470 865 HG13 VAL 117 3HG1 VAL 117 -7.235 -7.419 -5.648 866 HG21 VAL 117 3HG2 VAL 117 -7.928 -10.951 -6.275 867 HG22 VAL 117 1HG2 VAL 117 -8.685 -9.341 -6.193 868 HG23 VAL 117 2HG2 VAL 117 -7.860 -9.947 -4.780 869 H VAL 118 H VAL 118 -4.228 -8.816 -8.416 870 HA VAL 118 HA VAL 118 -3.923 -6.084 -8.410 871 HB VAL 118 HB VAL 118 -2.549 -8.137 -10.156 872 HG11 VAL 118 1HG1 VAL 118 -0.769 -6.432 -10.481 873 HG12 VAL 118 2HG1 VAL 118 -1.750 -5.260 -9.601 874 HG13 VAL 118 3HG1 VAL 118 -2.311 -5.891 -11.149 875 HG21 VAL 118 3HG2 VAL 118 -2.181 -8.460 -7.767 876 HG22 VAL 118 1HG2 VAL 118 -1.673 -6.772 -7.627 877 HG23 VAL 118 2HG2 VAL 118 -0.706 -7.898 -8.573 878 H ASP 119 H ASP 119 -5.243 -8.128 -10.906 879 HA ASP 119 HA ASP 119 -5.210 -6.129 -12.950 880 HB2 ASP 119 1HB ASP 119 -5.345 -8.609 -13.388 881 HB3 ASP 119 2HB ASP 119 -6.956 -8.569 -12.683 882 H TYR 120 H TYR 120 -7.443 -7.316 -10.577 883 HA TYR 120 HA TYR 120 -9.714 -5.818 -11.329 884 HD1 TYR 120 HD2 TYR 120 -12.047 -5.634 -9.823 885 HD2 TYR 120 HD1 TYR 120 -9.237 -6.496 -6.780 886 HE1 TYR 120 HE2 TYR 120 -13.436 -4.427 -8.210 887 HE2 TYR 120 HE1 TYR 120 -10.571 -5.345 -5.156 888 HH TYR 120 HH TYR 120 -13.798 -4.182 -5.921 889 HB2 TYR 120 1HB TYR 120 -10.263 -7.603 -9.874 890 HB3 TYR 120 2HB TYR 120 -8.863 -7.293 -8.841 891 H VAL 121 H VAL 121 -7.156 -5.252 -8.970 892 HA VAL 121 HA VAL 121 -8.247 -2.769 -8.092 893 HB VAL 121 HB VAL 121 -5.522 -4.069 -7.716 894 HG11 VAL 121 1HG1 VAL 121 -6.723 -1.759 -6.239 895 HG12 VAL 121 2HG1 VAL 121 -5.387 -1.679 -7.386 896 HG13 VAL 121 3HG1 VAL 121 -5.194 -2.555 -5.864 897 HG21 VAL 121 3HG2 VAL 121 -7.233 -5.410 -6.740 898 HG22 VAL 121 1HG2 VAL 121 -7.936 -4.001 -5.953 899 HG23 VAL 121 2HG2 VAL 121 -6.350 -4.588 -5.444 900 H ARG 122 H ARG 122 -5.985 -3.769 -10.513 901 HA ARG 122 HA ARG 122 -4.983 -1.187 -11.076 902 HE ARG 122 HE ARG 122 -4.384 -4.043 -14.874 903 HB2 ARG 122 1HB ARG 122 -3.913 -3.292 -11.749 904 HB3 ARG 122 2HB ARG 122 -5.248 -3.570 -12.872 905 HG2 ARG 122 1HG ARG 122 -4.636 -1.723 -14.179 906 HG3 ARG 122 2HG ARG 122 -3.507 -1.171 -12.926 907 HD2 ARG 122 1HD ARG 122 -2.333 -2.321 -14.795 908 HD3 ARG 122 2HD ARG 122 -2.162 -3.172 -13.262 909 HH11 ARG 122 1HH1 ARG 122 -0.965 -4.572 -14.188 910 HH12 ARG 122 2HH1 ARG 122 -0.977 -6.229 -14.555 911 HH21 ARG 122 1HH2 ARG 122 -4.431 -6.401 -15.392 912 HH22 ARG 122 2HH2 ARG 122 -2.968 -7.259 -15.279 913 H LYS 123 H LYS 123 -7.894 -2.956 -12.180 914 HA LYS 123 HA LYS 123 -8.573 -0.958 -13.970 915 HB2 LYS 123 1HB LYS 123 -9.298 -3.151 -14.308 916 HB3 LYS 123 2HB LYS 123 -9.812 -3.272 -12.619 917 HG2 LYS 123 1HG LYS 123 -11.521 -2.053 -12.866 918 HG3 LYS 123 2HG LYS 123 -11.091 -1.327 -14.437 919 HD2 LYS 123 1HD LYS 123 -11.364 -3.499 -15.490 920 HD3 LYS 123 2HD LYS 123 -11.797 -4.236 -13.942 921 HE2 LYS 123 1HE LYS 123 -13.790 -3.731 -15.336 922 HE3 LYS 123 2HE LYS 123 -13.781 -2.850 -13.808 923 HZ1 LYS 123 3HZ LYS 123 -14.413 -1.444 -15.680 924 HZ2 LYS 123 1HZ LYS 123 -12.941 -1.733 -16.423 925 HZ3 LYS 123 2HZ LYS 123 -12.998 -0.885 -14.975 926 H GLN 124 H GLN 124 -8.746 -1.414 -10.552 927 HA GLN 124 HA GLN 124 -11.024 0.227 -10.188 928 HB2 GLN 124 1HB GLN 124 -9.000 -0.544 -8.102 929 HB3 GLN 124 2HB GLN 124 -10.370 0.508 -7.756 930 HG2 GLN 124 1HG GLN 124 -10.240 -2.416 -7.996 931 HG3 GLN 124 2HG GLN 124 -11.331 -1.306 -7.141 932 HE21 GLN 124 1HE2 GLN 124 -10.678 -2.882 -10.019 933 HE22 GLN 124 2HE2 GLN 124 -12.231 -2.843 -10.717 934 H ALA 125 H ALA 125 -7.600 0.553 -9.658 935 HA ALA 125 HA ALA 125 -7.570 3.321 -9.005 936 HB1 ALA 125 3HB ALA 125 -5.177 3.046 -9.142 937 HB2 ALA 125 1HB ALA 125 -5.375 1.479 -9.962 938 HB3 ALA 125 2HB ALA 125 -5.916 1.685 -8.289 939 H SER 126 H SER 126 -6.757 1.416 -11.833 940 HA SER 126 HA SER 126 -6.305 1.915 -13.933 941 HG SER 126 HG SER 126 -7.450 2.731 -15.802 942 HB2 SER 126 1HB SER 126 -8.714 1.824 -13.903 943 HB3 SER 126 2HB SER 126 -8.844 3.548 -13.521 Start of MODEL 6 1 HA PRO 5 HA PRO 5 9.026 -22.268 -2.285 2 HB2 PRO 5 1HB PRO 5 8.458 -20.366 -0.401 3 HB3 PRO 5 2HB PRO 5 9.121 -21.970 -0.026 4 HG2 PRO 5 1HG PRO 5 10.552 -19.357 -0.333 5 HG3 PRO 5 2HG PRO 5 10.788 -20.627 0.902 6 HD2 PRO 5 1HD PRO 5 12.305 -20.213 -1.253 7 HD3 PRO 5 2HD PRO 5 12.096 -21.858 -0.559 8 H VAL 6 H VAL 6 7.222 -21.308 -2.794 9 HA VAL 6 HA VAL 6 7.321 -18.852 -4.413 10 HB VAL 6 HB VAL 6 6.422 -21.003 -5.410 11 HG11 VAL 6 1HG1 VAL 6 4.176 -20.661 -3.456 12 HG12 VAL 6 2HG1 VAL 6 5.371 -21.950 -3.453 13 HG13 VAL 6 3HG1 VAL 6 4.214 -21.824 -4.781 14 HG21 VAL 6 3HG2 VAL 6 4.378 -18.794 -5.236 15 HG22 VAL 6 1HG2 VAL 6 4.421 -20.060 -6.460 16 HG23 VAL 6 2HG2 VAL 6 5.723 -18.869 -6.372 17 H CYS 7 H CYS 7 5.241 -17.459 -4.124 18 HA CYS 7 HA CYS 7 4.916 -17.112 -1.305 19 HB2 CYS 7 1HB CYS 7 5.024 -15.116 -2.817 20 HB3 CYS 7 2HB CYS 7 3.447 -15.603 -3.449 21 H ARG 8 H ARG 8 3.521 -18.308 -0.243 22 HA ARG 8 HA ARG 8 1.086 -19.230 -1.589 23 HE ARG 8 HE ARG 8 0.544 -23.419 -2.133 24 HB2 ARG 8 1HB ARG 8 3.054 -20.570 -0.185 25 HB3 ARG 8 2HB ARG 8 1.721 -20.371 0.966 26 HG2 ARG 8 1HG ARG 8 1.484 -22.445 -0.207 27 HG3 ARG 8 2HG ARG 8 0.206 -21.290 -0.652 28 HD2 ARG 8 1HD ARG 8 1.280 -20.781 -2.719 29 HD3 ARG 8 2HD ARG 8 2.698 -21.723 -2.277 30 HH11 ARG 8 1HH1 ARG 8 1.930 -21.516 -4.784 31 HH12 ARG 8 2HH1 ARG 8 1.710 -22.729 -5.952 32 HH21 ARG 8 1HH2 ARG 8 0.198 -25.070 -3.766 33 HH22 ARG 8 2HH2 ARG 8 0.668 -24.785 -5.369 34 H HIS 9 H HIS 9 1.815 -16.590 -0.261 35 HA HIS 9 HA HIS 9 0.083 -16.630 2.096 36 HD2 HIS 9 HD2 HIS 9 1.699 -16.643 4.348 37 HE1 HIS 9 HE1 HIS 9 5.701 -16.401 3.050 38 HE2 HIS 9 HE2 HIS 9 4.152 -17.323 4.826 39 HB2 HIS 9 1HB HIS 9 1.957 -14.490 1.047 40 HB3 HIS 9 2HB HIS 9 0.984 -14.373 2.524 41 H ILE 10 H ILE 10 -0.422 -16.688 -0.855 42 HA ILE 10 HA ILE 10 -2.087 -14.493 -1.776 43 HB ILE 10 HB ILE 10 -2.444 -17.442 -2.219 44 HG12 ILE 10 1HG1 ILE 10 -0.002 -17.030 -2.597 45 HG13 ILE 10 2HG1 ILE 10 -0.838 -17.313 -4.137 46 HG21 ILE 10 1HG2 ILE 10 -2.901 -15.061 -4.039 47 HG22 ILE 10 2HG2 ILE 10 -4.133 -15.911 -3.125 48 HG23 ILE 10 3HG2 ILE 10 -3.272 -16.749 -4.420 49 HD11 ILE 10 3HD1 ILE 10 -0.785 -14.932 -4.538 50 HD12 ILE 10 1HD1 ILE 10 0.830 -15.589 -4.223 51 HD13 ILE 10 2HD1 ILE 10 -0.024 -14.703 -2.953 52 H ARG 11 H ARG 11 -2.501 -17.082 0.362 53 HA ARG 11 HA ARG 11 -5.292 -16.800 0.685 54 HE ARG 11 HE ARG 11 -5.106 -21.425 -0.176 55 HB2 ARG 11 1HB ARG 11 -3.159 -18.155 2.255 56 HB3 ARG 11 2HB ARG 11 -4.863 -18.273 2.682 57 HG2 ARG 11 1HG ARG 11 -5.358 -19.201 0.482 58 HG3 ARG 11 2HG ARG 11 -3.651 -19.068 0.041 59 HD2 ARG 11 1HD ARG 11 -3.029 -20.675 1.652 60 HD3 ARG 11 2HD ARG 11 -4.656 -20.719 2.351 61 HH11 ARG 11 1HH1 ARG 11 -2.761 -22.664 2.165 62 HH12 ARG 11 2HH1 ARG 11 -2.699 -24.236 1.520 63 HH21 ARG 11 1HH2 ARG 11 -5.008 -23.642 -1.087 64 HH22 ARG 11 2HH2 ARG 11 -3.972 -24.787 -0.354 65 H LYS 12 H LYS 12 -2.434 -15.819 2.547 66 HA LYS 12 HA LYS 12 -3.946 -14.779 4.744 67 HB2 LYS 12 1HB LYS 12 -1.014 -14.939 4.229 68 HB3 LYS 12 2HB LYS 12 -1.741 -14.373 5.728 69 HG2 LYS 12 1HG LYS 12 -2.755 -16.509 6.102 70 HG3 LYS 12 2HG LYS 12 -2.177 -17.084 4.527 71 HD2 LYS 12 1HD LYS 12 0.070 -16.931 5.218 72 HD3 LYS 12 2HD LYS 12 -0.370 -16.134 6.733 73 HE2 LYS 12 1HE LYS 12 -1.183 -18.888 5.897 74 HE3 LYS 12 2HE LYS 12 0.171 -18.543 6.986 75 HZ1 LYS 12 3HZ LYS 12 -1.716 -19.045 8.344 76 HZ2 LYS 12 1HZ LYS 12 -2.715 -18.003 7.456 77 HZ3 LYS 12 2HZ LYS 12 -1.502 -17.370 8.406 78 H GLY 13 H GLY 13 -2.190 -13.436 2.091 79 HA2 GLY 13 1HA GLY 13 -2.411 -10.710 3.258 80 HA3 GLY 13 2HA GLY 13 -1.180 -11.187 2.139 81 H LEU 14 H LEU 14 -4.118 -12.505 1.290 82 HA LEU 14 HA LEU 14 -4.743 -10.183 -0.360 83 HG LEU 14 HG LEU 14 -4.395 -10.617 -2.905 84 HB2 LEU 14 1HB LEU 14 -3.394 -12.123 -1.386 85 HB3 LEU 14 2HB LEU 14 -4.887 -13.036 -1.236 86 HD11 LEU 14 1HD1 LEU 14 -3.316 -12.467 -3.789 87 HD12 LEU 14 2HD1 LEU 14 -4.824 -12.219 -4.719 88 HD13 LEU 14 3HD1 LEU 14 -4.725 -13.484 -3.494 89 HD21 LEU 14 3HD2 LEU 14 -6.571 -11.382 -3.976 90 HD22 LEU 14 1HD2 LEU 14 -6.683 -10.429 -2.471 91 HD23 LEU 14 2HD2 LEU 14 -6.875 -12.171 -2.415 92 H GLU 15 H GLU 15 -6.732 -9.652 0.373 93 HA GLU 15 HA GLU 15 -8.311 -11.911 1.143 94 HB2 GLU 15 1HB GLU 15 -7.460 -10.407 2.922 95 HB3 GLU 15 2HB GLU 15 -8.649 -9.203 2.402 96 HG2 GLU 15 1HG GLU 15 -9.284 -10.477 4.333 97 HG3 GLU 15 2HG GLU 15 -10.384 -10.702 2.963 98 H GLN 16 H GLN 16 -9.572 -12.005 -0.778 99 HA GLN 16 HA GLN 16 -9.916 -9.941 -2.524 100 HB2 GLN 16 1HB GLN 16 -11.602 -12.418 -2.474 101 HB3 GLN 16 2HB GLN 16 -11.403 -11.230 -3.771 102 HG2 GLN 16 1HG GLN 16 -9.080 -11.761 -3.991 103 HG3 GLN 16 2HG GLN 16 -9.192 -12.912 -2.651 104 HE21 GLN 16 1HE2 GLN 16 -10.025 -12.273 -5.963 105 HE22 GLN 16 2HE2 GLN 16 -10.478 -13.897 -6.365 106 H GLY 17 H GLY 17 -12.360 -11.157 -0.264 107 HA2 GLY 17 1HA GLY 17 -14.526 -9.622 -1.374 108 HA3 GLY 17 2HA GLY 17 -14.526 -10.444 0.193 109 H ASN 18 H ASN 18 -12.251 -9.142 1.134 110 HA ASN 18 HA ASN 18 -13.462 -6.799 2.234 111 HB2 ASN 18 1HB ASN 18 -12.155 -8.148 3.718 112 HB3 ASN 18 2HB ASN 18 -10.792 -8.153 2.611 113 HD21 ASN 18 1HD2 ASN 18 -9.278 -6.676 2.816 114 HD22 ASN 18 2HD2 ASN 18 -9.360 -5.398 3.987 115 H LEU 19 H LEU 19 -11.054 -7.468 -0.162 116 HA LEU 19 HA LEU 19 -9.843 -5.002 -0.554 117 HG LEU 19 HG LEU 19 -8.407 -7.860 -2.295 118 HB2 LEU 19 1HB LEU 19 -10.487 -7.255 -2.372 119 HB3 LEU 19 2HB LEU 19 -9.862 -5.749 -3.037 120 HD11 LEU 19 1HD1 LEU 19 -7.710 -4.945 -2.286 121 HD12 LEU 19 2HD1 LEU 19 -7.601 -6.107 -3.646 122 HD13 LEU 19 3HD1 LEU 19 -6.495 -6.237 -2.248 123 HD21 LEU 19 3HD2 LEU 19 -8.841 -7.500 0.092 124 HD22 LEU 19 1HD2 LEU 19 -8.143 -5.887 -0.027 125 HD23 LEU 19 2HD2 LEU 19 -7.131 -7.308 -0.297 126 H LYS 20 H LYS 20 -12.919 -6.164 -2.028 127 HA LYS 20 HA LYS 20 -13.310 -3.894 -3.642 128 HB2 LYS 20 1HB LYS 20 -15.247 -5.830 -2.361 129 HB3 LYS 20 2HB LYS 20 -15.755 -4.521 -3.403 130 HG2 LYS 20 1HG LYS 20 -15.782 -6.501 -4.666 131 HG3 LYS 20 2HG LYS 20 -14.402 -5.560 -5.225 132 HD2 LYS 20 1HD LYS 20 -12.915 -6.997 -3.968 133 HD3 LYS 20 2HD LYS 20 -14.300 -7.910 -3.338 134 HE2 LYS 20 1HE LYS 20 -14.919 -8.419 -5.711 135 HE3 LYS 20 2HE LYS 20 -13.395 -7.668 -6.195 136 HZ1 LYS 20 3HZ LYS 20 -13.342 -10.091 -6.052 137 HZ2 LYS 20 1HZ LYS 20 -13.622 -10.020 -4.404 138 HZ3 LYS 20 2HZ LYS 20 -12.181 -9.396 -5.078 139 H LYS 21 H LYS 21 -13.919 -4.452 -0.248 140 HA LYS 21 HA LYS 21 -15.759 -2.265 -0.009 141 HB2 LYS 21 1HB LYS 21 -14.288 -3.728 2.167 142 HB3 LYS 21 2HB LYS 21 -15.820 -2.874 2.287 143 HG2 LYS 21 1HG LYS 21 -15.379 -5.366 0.677 144 HG3 LYS 21 2HG LYS 21 -16.012 -5.347 2.322 145 HD2 LYS 21 1HD LYS 21 -17.886 -3.932 1.487 146 HD3 LYS 21 2HD LYS 21 -17.218 -4.109 -0.140 147 HE2 LYS 21 1HE LYS 21 -18.170 -6.375 1.621 148 HE3 LYS 21 2HE LYS 21 -19.074 -5.680 0.284 149 HZ1 LYS 21 3HZ LYS 21 -17.918 -7.729 -0.327 150 HZ2 LYS 21 1HZ LYS 21 -16.426 -7.043 0.008 151 HZ3 LYS 21 2HZ LYS 21 -17.404 -6.454 -1.252 152 H ALA 22 H ALA 22 -12.346 -2.858 0.338 153 HA ALA 22 HA ALA 22 -11.807 -0.488 1.857 154 HB1 ALA 22 3HB ALA 22 -9.507 -1.114 1.532 155 HB2 ALA 22 1HB ALA 22 -9.987 -2.329 0.347 156 HB3 ALA 22 2HB ALA 22 -10.466 -2.509 2.035 157 H LEU 23 H LEU 23 -11.662 -1.484 -1.514 158 HA LEU 23 HA LEU 23 -10.278 0.918 -2.348 159 HG LEU 23 HG LEU 23 -10.587 -2.466 -3.123 160 HB2 LEU 23 1HB LEU 23 -11.843 -0.837 -4.190 161 HB3 LEU 23 2HB LEU 23 -10.422 0.136 -4.550 162 HD11 LEU 23 1HD1 LEU 23 -9.172 -1.701 -5.628 163 HD12 LEU 23 2HD1 LEU 23 -10.592 -2.736 -5.439 164 HD13 LEU 23 3HD1 LEU 23 -9.032 -3.246 -4.791 165 HD21 LEU 23 3HD2 LEU 23 -8.998 -1.180 -1.846 166 HD22 LEU 23 1HD2 LEU 23 -8.096 -0.752 -3.310 167 HD23 LEU 23 2HD2 LEU 23 -8.175 -2.434 -2.742 168 H VAL 24 H VAL 24 -13.406 0.216 -1.569 169 HA VAL 24 HA VAL 24 -14.877 2.120 -2.972 170 HB VAL 24 HB VAL 24 -15.057 1.135 -0.122 171 HG11 VAL 24 1HG1 VAL 24 -15.945 3.335 -0.128 172 HG12 VAL 24 2HG1 VAL 24 -17.277 2.181 0.024 173 HG13 VAL 24 3HG1 VAL 24 -16.968 3.001 -1.527 174 HG21 VAL 24 3HG2 VAL 24 -15.554 -0.460 -1.857 175 HG22 VAL 24 1HG2 VAL 24 -16.731 0.643 -2.565 176 HG23 VAL 24 2HG2 VAL 24 -17.021 -0.048 -0.961 177 H ASN 25 H ASN 25 -12.790 2.474 -0.145 178 HA ASN 25 HA ASN 25 -13.355 5.358 -0.107 179 HB2 ASN 25 1HB ASN 25 -12.564 3.447 2.072 180 HB3 ASN 25 2HB ASN 25 -12.545 5.206 2.280 181 HD21 ASN 25 1HD2 ASN 25 -14.162 2.974 3.444 182 HD22 ASN 25 2HD2 ASN 25 -15.808 3.506 3.262 183 H VAL 26 H VAL 26 -11.287 3.817 -1.651 184 HA VAL 26 HA VAL 26 -8.837 4.787 -0.388 185 HB VAL 26 HB VAL 26 -7.591 3.868 -2.342 186 HG11 VAL 26 1HG1 VAL 26 -7.909 1.571 -1.817 187 HG12 VAL 26 2HG1 VAL 26 -9.342 1.991 -0.842 188 HG13 VAL 26 3HG1 VAL 26 -7.731 2.597 -0.393 189 HG21 VAL 26 3HG2 VAL 26 -9.262 3.992 -4.002 190 HG22 VAL 26 1HG2 VAL 26 -10.284 2.846 -3.127 191 HG23 VAL 26 2HG2 VAL 26 -8.729 2.326 -3.794 192 H GLU 27 H GLU 27 -7.572 6.305 -0.972 193 HA GLU 27 HA GLU 27 -8.137 7.868 -3.351 194 HB2 GLU 27 1HB GLU 27 -6.201 9.199 -2.408 195 HB3 GLU 27 2HB GLU 27 -7.769 9.495 -1.696 196 HG2 GLU 27 1HG GLU 27 -5.727 7.591 -0.649 197 HG3 GLU 27 2HG GLU 27 -5.795 9.319 -0.278 198 H TRP 28 H TRP 28 -7.406 6.695 -4.701 199 HA TRP 28 HA TRP 28 -5.212 5.013 -4.755 200 HD1 TRP 28 HD1 TRP 28 -8.822 4.904 -6.945 201 HE1 TRP 28 HE1 TRP 28 -9.458 2.444 -6.562 202 HE3 TRP 28 HE3 TRP 28 -4.272 3.138 -5.718 203 HZ2 TRP 28 HZ2 TRP 28 -8.168 0.094 -5.835 204 HZ3 TRP 28 HZ3 TRP 28 -4.038 0.770 -5.163 205 HH2 TRP 28 HH2 TRP 28 -5.946 -0.712 -5.216 206 HB2 TRP 28 1HB TRP 28 -6.759 6.289 -6.856 207 HB3 TRP 28 2HB TRP 28 -5.353 5.349 -7.348 208 H ASN 29 H ASN 29 -3.269 5.122 -4.784 209 HA ASN 29 HA ASN 29 -1.133 5.676 -4.979 210 HB2 ASN 29 1HB ASN 29 -1.948 6.256 -7.264 211 HB3 ASN 29 2HB ASN 29 -1.808 7.957 -6.828 212 HD21 ASN 29 1HD2 ASN 29 -0.101 5.115 -7.567 213 HD22 ASN 29 2HD2 ASN 29 1.468 5.863 -7.541 214 H ILE 30 H ILE 30 -3.074 6.952 -3.216 215 HA ILE 30 HA ILE 30 -1.228 8.997 -2.259 216 HB ILE 30 HB ILE 30 -4.215 8.901 -1.732 217 HG12 ILE 30 1HG1 ILE 30 -2.612 10.821 -3.435 218 HG13 ILE 30 2HG1 ILE 30 -3.796 9.645 -4.032 219 HG21 ILE 30 1HG2 ILE 30 -2.960 9.788 0.156 220 HG22 ILE 30 2HG2 ILE 30 -3.853 11.092 -0.630 221 HG23 ILE 30 3HG2 ILE 30 -2.120 10.921 -0.901 222 HD11 ILE 30 3HD1 ILE 30 -5.554 10.935 -2.896 223 HD12 ILE 30 1HD1 ILE 30 -4.637 11.919 -4.036 224 HD13 ILE 30 2HD1 ILE 30 -4.320 12.045 -2.307 225 H CYS 31 H CYS 31 -0.097 7.814 -0.873 226 HA CYS 31 HA CYS 31 -1.099 5.834 0.785 227 HB2 CYS 31 1HB CYS 31 1.224 5.890 0.867 228 HB3 CYS 31 2HB CYS 31 1.372 7.590 1.241 229 H GLN 32 H GLN 32 -2.699 5.929 1.731 230 HA GLN 32 HA GLN 32 -4.271 8.028 2.792 231 HB2 GLN 32 1HB GLN 32 -4.267 5.296 3.999 232 HB3 GLN 32 2HB GLN 32 -5.663 6.313 3.636 233 HG2 GLN 32 1HG GLN 32 -5.173 5.924 1.254 234 HG3 GLN 32 2HG GLN 32 -3.988 4.725 1.794 235 HE21 GLN 32 1HE2 GLN 32 -7.299 5.499 1.664 236 HE22 GLN 32 2HE2 GLN 32 -7.892 3.940 2.154 237 H ASP 33 H ASP 33 -1.886 6.036 4.129 238 HA ASP 33 HA ASP 33 -2.323 6.850 6.841 239 HB2 ASP 33 1HB ASP 33 -1.143 4.685 6.065 240 HB3 ASP 33 2HB ASP 33 0.305 5.694 5.922 241 H CYS 34 H CYS 34 -0.559 8.393 4.139 242 HA CYS 34 HA CYS 34 1.063 9.989 5.751 243 HB2 CYS 34 1HB CYS 34 0.271 9.692 2.951 244 HB3 CYS 34 2HB CYS 34 0.769 11.293 3.443 245 H LYS 35 H LYS 35 -1.981 10.125 4.172 246 HA LYS 35 HA LYS 35 -2.302 12.955 4.629 247 HB2 LYS 35 1HB LYS 35 -4.582 12.610 3.705 248 HB3 LYS 35 2HB LYS 35 -3.251 12.179 2.607 249 HG2 LYS 35 1HG LYS 35 -3.665 9.889 3.107 250 HG3 LYS 35 2HG LYS 35 -4.900 10.342 4.295 251 HD2 LYS 35 1HD LYS 35 -4.954 10.962 1.378 252 HD3 LYS 35 2HD LYS 35 -5.811 9.619 2.173 253 HE2 LYS 35 1HE LYS 35 -7.081 11.256 3.520 254 HE3 LYS 35 2HE LYS 35 -6.253 12.576 2.700 255 HZ1 LYS 35 3HZ LYS 35 -7.944 10.562 1.358 256 HZ2 LYS 35 1HZ LYS 35 -7.259 11.921 0.635 257 HZ3 LYS 35 2HZ LYS 35 -8.468 12.116 1.781 258 H THR 36 H THR 36 -3.356 10.056 6.199 259 HA THR 36 HA THR 36 -5.262 11.553 7.728 260 HB THR 36 HB THR 36 -5.640 9.344 8.900 261 HG1 THR 36 HG1 THR 36 -4.290 8.096 6.784 262 HG21 THR 36 3HG2 THR 36 -6.859 8.349 7.019 263 HG22 THR 36 1HG2 THR 36 -5.944 9.348 5.888 264 HG23 THR 36 2HG2 THR 36 -7.053 10.102 7.029 265 H ASP 37 H ASP 37 -2.064 11.205 7.703 266 HA ASP 37 HA ASP 37 -1.728 10.748 10.539 267 HB2 ASP 37 1HB ASP 37 0.075 10.052 8.846 268 HB3 ASP 37 2HB ASP 37 0.518 11.770 8.803 269 H ASN 38 H ASN 38 -2.940 12.176 11.271 270 HA ASN 38 HA ASN 38 -2.265 15.007 11.078 271 HB2 ASN 38 1HB ASN 38 -4.495 13.555 12.478 272 HB3 ASN 38 2HB ASN 38 -4.158 15.284 12.688 273 HD21 ASN 38 1HD2 ASN 38 -5.267 12.807 10.486 274 HD22 ASN 38 2HD2 ASN 38 -5.930 13.911 9.319 275 H LYS 39 H LYS 39 -0.650 12.860 12.445 276 HA LYS 39 HA LYS 39 -0.555 13.739 15.192 277 HB2 LYS 39 1HB LYS 39 1.456 12.229 13.535 278 HB3 LYS 39 2HB LYS 39 1.443 12.340 15.302 279 HG2 LYS 39 1HG LYS 39 -0.601 11.070 15.385 280 HG3 LYS 39 2HG LYS 39 -0.697 11.050 13.623 281 HD2 LYS 39 1HD LYS 39 0.172 8.937 14.294 282 HD3 LYS 39 2HD LYS 39 1.482 9.918 13.617 283 HE2 LYS 39 1HE LYS 39 2.190 8.693 15.649 284 HE3 LYS 39 2HE LYS 39 2.301 10.439 15.842 285 HZ1 LYS 39 3HZ LYS 39 0.310 10.438 17.144 286 HZ2 LYS 39 1HZ LYS 39 1.336 9.273 17.764 287 HZ3 LYS 39 2HZ LYS 39 0.027 8.789 16.842 288 H VAL 40 H VAL 40 1.243 14.069 12.227 289 HA VAL 40 HA VAL 40 2.796 16.269 13.236 290 HB VAL 40 HB VAL 40 3.631 16.406 10.880 291 HG11 VAL 40 1HG1 VAL 40 4.862 15.119 12.519 292 HG12 VAL 40 2HG1 VAL 40 4.916 14.284 10.964 293 HG13 VAL 40 3HG1 VAL 40 3.824 13.725 12.234 294 HG21 VAL 40 3HG2 VAL 40 1.702 15.509 9.708 295 HG22 VAL 40 1HG2 VAL 40 1.935 13.939 10.480 296 HG23 VAL 40 2HG2 VAL 40 3.132 14.544 9.338 297 H LYS 41 H LYS 41 2.782 18.331 12.006 298 HA LYS 41 HA LYS 41 0.047 19.200 11.624 299 HB2 LYS 41 1HB LYS 41 2.651 20.728 11.569 300 HB3 LYS 41 2HB LYS 41 1.048 21.461 11.387 301 HG2 LYS 41 1HG LYS 41 0.451 20.650 13.631 302 HG3 LYS 41 2HG LYS 41 2.066 19.970 13.792 303 HD2 LYS 41 1HD LYS 41 1.459 22.905 13.397 304 HD3 LYS 41 2HD LYS 41 1.780 22.148 14.953 305 HE2 LYS 41 1HE LYS 41 3.697 22.250 12.620 306 HE3 LYS 41 2HE LYS 41 3.757 23.283 14.040 307 HZ1 LYS 41 3HZ LYS 41 5.313 21.482 14.271 308 HZ2 LYS 41 1HZ LYS 41 4.128 20.330 14.001 309 HZ3 LYS 41 2HZ LYS 41 4.099 21.234 15.395 310 H ASP 42 H ASP 42 3.030 19.013 9.760 311 HA ASP 42 HA ASP 42 1.387 18.571 7.411 312 HB2 ASP 42 1HB ASP 42 3.984 20.126 7.398 313 HB3 ASP 42 2HB ASP 42 3.069 19.634 5.991 314 H LYS 43 H LYS 43 2.528 17.247 5.952 315 HA LYS 43 HA LYS 43 4.004 15.276 7.476 316 HB2 LYS 43 1HB LYS 43 2.962 15.114 4.642 317 HB3 LYS 43 2HB LYS 43 3.660 13.783 5.569 318 HG2 LYS 43 1HG LYS 43 1.369 13.440 5.597 319 HG3 LYS 43 2HG LYS 43 1.720 14.121 7.198 320 HD2 LYS 43 1HD LYS 43 0.944 16.315 6.355 321 HD3 LYS 43 2HD LYS 43 0.569 15.573 4.799 322 HE2 LYS 43 1HE LYS 43 -1.025 14.065 5.974 323 HE3 LYS 43 2HE LYS 43 -0.696 14.939 7.467 324 HZ1 LYS 43 3HZ LYS 43 -1.881 16.099 4.998 325 HZ2 LYS 43 1HZ LYS 43 -1.519 16.961 6.392 326 HZ3 LYS 43 2HZ LYS 43 -2.706 15.782 6.430 327 H ALA 44 H ALA 44 4.298 17.297 4.640 328 HA ALA 44 HA ALA 44 7.140 17.269 4.796 329 HB1 ALA 44 3HB ALA 44 6.705 15.323 3.331 330 HB2 ALA 44 1HB ALA 44 7.411 16.682 2.441 331 HB3 ALA 44 2HB ALA 44 5.690 16.362 2.313 332 H GLU 45 H GLU 45 7.189 19.367 5.033 333 HA GLU 45 HA GLU 45 5.530 21.153 3.577 334 HB2 GLU 45 1HB GLU 45 7.978 21.429 5.265 335 HB3 GLU 45 2HB GLU 45 7.142 22.851 4.589 336 HG2 GLU 45 1HG GLU 45 5.229 22.416 5.917 337 HG3 GLU 45 2HG GLU 45 5.781 20.789 6.299 338 H GLU 46 H GLU 46 5.731 20.911 1.460 339 HA GLU 46 HA GLU 46 7.479 19.956 -0.128 340 HB2 GLU 46 1HB GLU 46 5.640 22.266 -0.474 341 HB3 GLU 46 2HB GLU 46 6.474 21.400 -1.769 342 HG2 GLU 46 1HG GLU 46 5.328 19.410 -1.323 343 HG3 GLU 46 2HG GLU 46 4.692 20.020 0.199 344 H GLU 47 H GLU 47 9.557 20.299 -0.002 345 HA GLU 47 HA GLU 47 10.517 22.839 -0.982 346 HB2 GLU 47 1HB GLU 47 11.028 22.672 1.408 347 HB3 GLU 47 2HB GLU 47 11.765 21.088 1.132 348 HG2 GLU 47 1HG GLU 47 13.463 22.042 -0.197 349 HG3 GLU 47 2HG GLU 47 12.667 23.628 -0.117 350 H THR 48 H THR 48 11.447 19.469 -0.225 351 HA THR 48 HA THR 48 11.890 18.989 -2.978 352 HB THR 48 HB THR 48 14.089 18.548 -0.950 353 HG1 THR 48 HG1 THR 48 13.421 20.667 -2.412 354 HG21 THR 48 3HG2 THR 48 15.428 17.841 -2.893 355 HG22 THR 48 1HG2 THR 48 14.022 18.108 -3.938 356 HG23 THR 48 2HG2 THR 48 13.972 16.850 -2.703 357 H GLU 49 H GLU 49 10.049 17.824 -2.506 358 HA GLU 49 HA GLU 49 10.061 15.565 -0.753 359 HB2 GLU 49 1HB GLU 49 8.278 16.271 -3.081 360 HB3 GLU 49 2HB GLU 49 8.031 14.866 -2.041 361 HG2 GLU 49 1HG GLU 49 7.577 16.262 -0.171 362 HG3 GLU 49 2HG GLU 49 8.043 17.712 -1.064 363 H GLU 50 H GLU 50 9.855 13.342 -1.583 364 HA GLU 50 HA GLU 50 11.799 12.949 -3.709 365 HB2 GLU 50 1HB GLU 50 12.163 10.749 -2.785 366 HB3 GLU 50 2HB GLU 50 12.203 11.895 -1.465 367 HG2 GLU 50 1HG GLU 50 9.867 10.095 -2.136 368 HG3 GLU 50 2HG GLU 50 11.053 9.807 -0.871 369 H LYS 51 H LYS 51 11.088 10.473 -4.566 370 HA LYS 51 HA LYS 51 8.334 10.773 -5.350 371 HB2 LYS 51 1HB LYS 51 8.965 9.320 -7.361 372 HB3 LYS 51 2HB LYS 51 9.487 11.008 -7.420 373 HG2 LYS 51 1HG LYS 51 11.213 8.793 -6.480 374 HG3 LYS 51 2HG LYS 51 11.044 9.098 -8.210 375 HD2 LYS 51 1HD LYS 51 11.913 11.045 -6.127 376 HD3 LYS 51 2HD LYS 51 13.045 10.185 -7.193 377 HE2 LYS 51 1HE LYS 51 10.955 12.266 -7.949 378 HE3 LYS 51 2HE LYS 51 12.701 12.432 -8.036 379 HZ1 LYS 51 3HZ LYS 51 12.722 10.692 -9.762 380 HZ2 LYS 51 1HZ LYS 51 11.788 12.027 -10.197 381 HZ3 LYS 51 2HZ LYS 51 11.034 10.630 -9.701 382 HA PRO 52 HA PRO 52 8.629 7.141 -2.699 383 HB2 PRO 52 1HB PRO 52 6.278 7.434 -1.504 384 HB3 PRO 52 2HB PRO 52 7.609 8.547 -1.151 385 HG2 PRO 52 1HG PRO 52 5.333 8.938 -3.069 386 HG3 PRO 52 2HG PRO 52 5.877 10.015 -1.764 387 HD2 PRO 52 1HD PRO 52 6.724 10.369 -4.331 388 HD3 PRO 52 2HD PRO 52 7.755 10.666 -2.901 389 H SER 53 H SER 53 7.687 5.117 -2.865 390 HA SER 53 HA SER 53 5.978 4.684 -5.123 391 HG SER 53 HG SER 53 8.688 3.261 -3.014 392 HB2 SER 53 1HB SER 53 6.491 2.295 -4.418 393 HB3 SER 53 2HB SER 53 7.875 3.254 -4.982 394 H VAL 54 H VAL 54 4.004 3.783 -4.880 395 HA VAL 54 HA VAL 54 2.966 3.964 -2.130 396 HB VAL 54 HB VAL 54 1.203 4.449 -4.588 397 HG11 VAL 54 1HG1 VAL 54 0.102 3.450 -2.658 398 HG12 VAL 54 2HG1 VAL 54 -0.464 5.083 -3.030 399 HG13 VAL 54 3HG1 VAL 54 0.635 4.813 -1.666 400 HG21 VAL 54 3HG2 VAL 54 1.166 6.735 -3.933 401 HG22 VAL 54 1HG2 VAL 54 2.845 6.259 -4.188 402 HG23 VAL 54 2HG2 VAL 54 2.199 6.418 -2.540 403 H TRP 55 H TRP 55 2.569 2.185 -1.354 404 HA TRP 55 HA TRP 55 1.898 -0.052 -3.111 405 HD1 TRP 55 HD1 TRP 55 5.084 1.576 -1.269 406 HE1 TRP 55 HE1 TRP 55 7.219 1.137 -2.584 407 HE3 TRP 55 HE3 TRP 55 3.919 -3.030 -3.150 408 HZ2 TRP 55 HZ2 TRP 55 8.316 -0.931 -4.194 409 HZ3 TRP 55 HZ3 TRP 55 5.575 -4.177 -4.559 410 HH2 TRP 55 HH2 TRP 55 7.727 -3.147 -5.074 411 HB2 TRP 55 1HB TRP 55 3.174 -0.201 -0.357 412 HB3 TRP 55 2HB TRP 55 2.848 -1.548 -1.454 413 H LEU 56 H LEU 56 0.208 -0.975 -2.951 414 HA LEU 56 HA LEU 56 -1.695 -0.234 -0.856 415 HG LEU 56 HG LEU 56 -3.843 -1.707 -1.342 416 HB2 LEU 56 1HB LEU 56 -2.530 0.202 -3.038 417 HB3 LEU 56 2HB LEU 56 -2.221 -1.451 -3.566 418 HD11 LEU 56 1HD1 LEU 56 -4.461 0.543 -1.244 419 HD12 LEU 56 2HD1 LEU 56 -5.826 -0.351 -1.909 420 HD13 LEU 56 3HD1 LEU 56 -4.799 0.605 -2.973 421 HD21 LEU 56 3HD2 LEU 56 -5.539 -2.417 -2.976 422 HD22 LEU 56 1HD2 LEU 56 -3.927 -3.112 -3.208 423 HD23 LEU 56 2HD2 LEU 56 -4.467 -1.790 -4.254 424 H CYS 57 H CYS 57 -2.057 -1.648 0.656 425 HA CYS 57 HA CYS 57 -1.098 -4.308 0.920 426 HB2 CYS 57 1HB CYS 57 -1.810 -2.602 2.675 427 HB3 CYS 57 2HB CYS 57 -3.469 -3.012 2.268 428 H LEU 58 H LEU 58 -1.738 -6.006 -0.433 429 HA LEU 58 HA LEU 58 -4.194 -6.047 -1.820 430 HG LEU 58 HG LEU 58 -1.981 -5.877 -3.053 431 HB2 LEU 58 1HB LEU 58 -1.900 -7.861 -1.263 432 HB3 LEU 58 2HB LEU 58 -3.285 -8.415 -2.192 433 HD11 LEU 58 1HD1 LEU 58 -0.122 -7.430 -2.691 434 HD12 LEU 58 2HD1 LEU 58 -0.437 -7.077 -4.387 435 HD13 LEU 58 3HD1 LEU 58 -0.946 -8.637 -3.700 436 HD21 LEU 58 3HD2 LEU 58 -4.006 -6.657 -4.093 437 HD22 LEU 58 1HD2 LEU 58 -3.244 -8.227 -4.374 438 HD23 LEU 58 2HD2 LEU 58 -2.629 -6.802 -5.213 439 H LYS 59 H LYS 59 -3.326 -6.615 1.137 440 HA LYS 59 HA LYS 59 -5.282 -8.605 1.792 441 HB2 LYS 59 1HB LYS 59 -3.248 -8.712 2.981 442 HB3 LYS 59 2HB LYS 59 -3.384 -7.046 3.547 443 HG2 LYS 59 1HG LYS 59 -3.976 -8.564 5.338 444 HG3 LYS 59 2HG LYS 59 -5.341 -7.622 4.693 445 HD2 LYS 59 1HD LYS 59 -6.264 -9.282 3.646 446 HD3 LYS 59 2HD LYS 59 -4.921 -10.375 3.521 447 HE2 LYS 59 1HE LYS 59 -6.455 -11.293 5.050 448 HE3 LYS 59 2HE LYS 59 -5.052 -10.647 5.985 449 HZ1 LYS 59 3HZ LYS 59 -6.551 -8.717 6.561 450 HZ2 LYS 59 1HZ LYS 59 -7.184 -10.183 7.057 451 HZ3 LYS 59 2HZ LYS 59 -7.793 -9.431 5.691 452 H CYS 60 H CYS 60 -4.904 -5.129 2.474 453 HA CYS 60 HA CYS 60 -7.789 -5.158 3.143 454 HB2 CYS 60 1HB CYS 60 -7.532 -3.869 5.093 455 HB3 CYS 60 2HB CYS 60 -6.293 -5.149 5.105 456 H GLY 61 H GLY 61 -5.800 -3.856 1.010 457 HA2 GLY 61 1HA GLY 61 -6.118 -2.150 -0.482 458 HA3 GLY 61 2HA GLY 61 -7.664 -1.817 0.310 459 H HIS 62 H HIS 62 -4.983 -1.815 2.269 460 HA HIS 62 HA HIS 62 -5.037 1.100 2.696 461 HD1 HIS 62 HD1 HIS 62 -1.121 0.321 4.472 462 HD2 HIS 62 HD2 HIS 62 -4.611 2.369 5.399 463 HE1 HIS 62 HE1 HIS 62 -0.404 2.364 5.700 464 HB2 HIS 62 1HB HIS 62 -4.746 -0.377 4.641 465 HB3 HIS 62 2HB HIS 62 -3.248 -0.994 3.936 466 H GLN 63 H GLN 63 -3.926 2.516 1.794 467 HA GLN 63 HA GLN 63 -1.685 1.690 0.199 468 HB2 GLN 63 1HB GLN 63 -3.549 3.900 0.083 469 HB3 GLN 63 2HB GLN 63 -1.910 4.336 -0.359 470 HG2 GLN 63 1HG GLN 63 -1.845 2.981 -2.129 471 HG3 GLN 63 2HG GLN 63 -3.134 1.911 -1.619 472 HE21 GLN 63 1HE2 GLN 63 -4.901 4.290 -0.965 473 HE22 GLN 63 2HE2 GLN 63 -5.277 4.954 -2.509 474 H GLY 64 H GLY 64 0.213 1.978 0.873 475 HA2 GLY 64 1HA GLY 64 0.921 4.144 2.689 476 HA3 GLY 64 2HA GLY 64 1.460 2.483 2.983 477 H CYS 65 H CYS 65 2.955 4.793 2.593 478 HA CYS 65 HA CYS 65 4.069 4.613 -0.029 479 HB2 CYS 65 1HB CYS 65 5.515 6.522 0.795 480 HB3 CYS 65 2HB CYS 65 3.776 6.764 0.917 481 H GLY 66 H GLY 66 5.954 3.633 -0.540 482 HA2 GLY 66 1HA GLY 66 6.776 1.543 1.263 483 HA3 GLY 66 2HA GLY 66 7.271 1.751 -0.414 484 H ARG 67 H ARG 67 9.275 1.036 0.326 485 HA ARG 67 HA ARG 67 10.860 1.968 2.351 486 HE ARG 67 HE ARG 67 15.764 0.449 1.338 487 HB2 ARG 67 1HB ARG 67 11.504 -0.020 1.347 488 HB3 ARG 67 2HB ARG 67 11.484 0.646 -0.269 489 HG2 ARG 67 1HG ARG 67 13.426 1.918 0.180 490 HG3 ARG 67 2HG ARG 67 13.518 1.335 1.856 491 HD2 ARG 67 1HD ARG 67 13.749 -0.984 0.909 492 HD3 ARG 67 2HD ARG 67 13.780 -0.266 -0.700 493 HH11 ARG 67 1HH1 ARG 67 15.060 -0.910 -1.871 494 HH12 ARG 67 2HH1 ARG 67 16.662 -0.754 -2.422 495 HH21 ARG 67 1HH2 ARG 67 17.941 0.577 0.591 496 HH22 ARG 67 2HH2 ARG 67 18.330 0.107 -1.020 497 H ASN 68 H ASN 68 10.694 3.258 -0.904 498 HA ASN 68 HA ASN 68 12.899 5.055 -0.371 499 HB2 ASN 68 1HB ASN 68 12.274 5.931 -2.532 500 HB3 ASN 68 2HB ASN 68 13.064 4.323 -2.561 501 HD21 ASN 68 1HD2 ASN 68 12.173 3.415 -4.314 502 HD22 ASN 68 2HD2 ASN 68 10.481 3.264 -4.646 503 H SER 69 H SER 69 10.322 5.418 0.909 504 HA SER 69 HA SER 69 9.745 8.172 0.057 505 HG SER 69 HG SER 69 8.310 5.341 1.895 506 HB2 SER 69 1HB SER 69 7.703 8.022 1.350 507 HB3 SER 69 2HB SER 69 7.793 6.652 0.229 508 H GLN 70 H GLN 70 9.211 9.634 2.054 509 HA GLN 70 HA GLN 70 11.400 9.519 3.914 510 HB2 GLN 70 1HB GLN 70 10.492 11.634 2.930 511 HB3 GLN 70 2HB GLN 70 9.005 11.358 3.836 512 HG2 GLN 70 1HG GLN 70 10.239 11.532 5.928 513 HG3 GLN 70 2HG GLN 70 11.729 11.793 5.032 514 HE21 GLN 70 1HE2 GLN 70 10.349 13.463 3.031 515 HE22 GLN 70 2HE2 GLN 70 10.075 14.983 3.809 516 H GLU 71 H GLU 71 8.073 8.675 3.790 517 HA GLU 71 HA GLU 71 7.798 8.665 6.683 518 HB2 GLU 71 1HB GLU 71 5.840 8.397 4.453 519 HB3 GLU 71 2HB GLU 71 5.406 8.158 6.150 520 HG2 GLU 71 1HG GLU 71 6.616 10.666 5.014 521 HG3 GLU 71 2HG GLU 71 4.886 10.398 5.317 522 H GLN 72 H GLN 72 7.746 6.348 4.005 523 HA GLN 72 HA GLN 72 7.612 4.126 3.896 524 HB2 GLN 72 1HB GLN 72 9.267 4.475 6.378 525 HB3 GLN 72 2HB GLN 72 9.068 2.903 5.613 526 HG2 GLN 72 1HG GLN 72 9.997 3.822 3.541 527 HG3 GLN 72 2HG GLN 72 10.298 5.343 4.378 528 HE21 GLN 72 1HE2 GLN 72 11.145 2.082 4.120 529 HE22 GLN 72 2HE2 GLN 72 12.636 2.363 4.957 530 H HIS 73 H HIS 73 5.275 5.219 5.101 531 HA HIS 73 HA HIS 73 4.380 3.990 7.334 532 HD2 HIS 73 HD2 HIS 73 3.382 5.925 8.777 533 HE1 HIS 73 HE1 HIS 73 2.767 9.346 6.351 534 HE2 HIS 73 HE2 HIS 73 3.136 8.486 8.798 535 HB2 HIS 73 1HB HIS 73 3.046 5.035 4.897 536 HB3 HIS 73 2HB HIS 73 2.172 4.367 6.271 537 H ALA 74 H ALA 74 4.613 2.687 4.099 538 HA ALA 74 HA ALA 74 2.854 0.407 4.425 539 HB1 ALA 74 3HB ALA 74 3.689 1.172 2.209 540 HB2 ALA 74 1HB ALA 74 4.029 -0.532 2.517 541 HB3 ALA 74 2HB ALA 74 5.311 0.665 2.682 542 H LEU 75 H LEU 75 6.151 1.061 5.316 543 HA LEU 75 HA LEU 75 6.759 -1.640 6.019 544 HG LEU 75 HG LEU 75 9.998 0.322 5.345 545 HB2 LEU 75 1HB LEU 75 8.090 1.000 6.699 546 HB3 LEU 75 2HB LEU 75 8.710 -0.569 7.200 547 HD11 LEU 75 1HD1 LEU 75 9.875 -1.507 3.800 548 HD12 LEU 75 2HD1 LEU 75 8.323 -2.006 4.486 549 HD13 LEU 75 3HD1 LEU 75 9.794 -2.054 5.477 550 HD21 LEU 75 3HD2 LEU 75 9.064 0.605 3.105 551 HD22 LEU 75 1HD2 LEU 75 8.306 1.718 4.242 552 HD23 LEU 75 2HD2 LEU 75 7.451 0.270 3.732 553 H LYS 76 H LYS 76 5.993 1.330 8.003 554 HA LYS 76 HA LYS 76 5.663 0.153 10.394 555 HB2 LYS 76 1HB LYS 76 3.805 2.152 9.154 556 HB3 LYS 76 2HB LYS 76 4.051 1.850 10.878 557 HG2 LYS 76 1HG LYS 76 6.287 2.706 10.739 558 HG3 LYS 76 2HG LYS 76 6.121 2.865 8.976 559 HD2 LYS 76 1HD LYS 76 5.785 5.008 9.939 560 HD3 LYS 76 2HD LYS 76 4.243 4.374 9.341 561 HE2 LYS 76 1HE LYS 76 3.631 3.668 11.627 562 HE3 LYS 76 2HE LYS 76 5.131 4.394 12.230 563 HZ1 LYS 76 3HZ LYS 76 4.282 6.560 11.479 564 HZ2 LYS 76 1HZ LYS 76 3.244 5.825 12.581 565 HZ3 LYS 76 2HZ LYS 76 2.850 5.833 10.968 566 H HIS 77 H HIS 77 3.465 -0.013 7.632 567 HA HIS 77 HA HIS 77 1.267 -1.056 9.169 568 HD1 HIS 77 HD1 HIS 77 -1.372 0.021 8.019 569 HD2 HIS 77 HD2 HIS 77 -0.114 -3.206 5.702 570 HE1 HIS 77 HE1 HIS 77 -3.438 -1.262 7.439 571 HB2 HIS 77 1HB HIS 77 1.033 0.250 7.091 572 HB3 HIS 77 2HB HIS 77 1.707 -1.106 6.171 573 H TYR 78 H TYR 78 3.844 -2.449 7.264 574 HA TYR 78 HA TYR 78 2.867 -5.051 7.725 575 HD1 TYR 78 HD1 TYR 78 3.709 -7.266 6.784 576 HD2 TYR 78 HD2 TYR 78 7.380 -5.289 7.641 577 HE1 TYR 78 HE1 TYR 78 4.785 -9.444 7.211 578 HE2 TYR 78 HE2 TYR 78 8.456 -7.449 8.055 579 HH TYR 78 HH TYR 78 7.632 -9.696 8.813 580 HB2 TYR 78 1HB TYR 78 4.331 -4.781 5.980 581 HB3 TYR 78 2HB TYR 78 5.577 -4.001 6.969 582 H LEU 79 H LEU 79 5.101 -2.863 9.591 583 HA LEU 79 HA LEU 79 5.796 -4.923 11.365 584 HG LEU 79 HG LEU 79 7.343 -2.756 9.510 585 HB2 LEU 79 1HB LEU 79 6.200 -1.939 11.455 586 HB3 LEU 79 2HB LEU 79 7.004 -3.137 12.475 587 HD11 LEU 79 1HD1 LEU 79 8.506 -1.102 10.844 588 HD12 LEU 79 2HD1 LEU 79 9.638 -2.210 10.066 589 HD13 LEU 79 3HD1 LEU 79 9.266 -2.389 11.782 590 HD21 LEU 79 3HD2 LEU 79 7.346 -5.078 10.075 591 HD22 LEU 79 1HD2 LEU 79 8.560 -4.818 11.327 592 HD23 LEU 79 2HD2 LEU 79 8.977 -4.553 9.621 593 H THR 80 H THR 80 3.058 -3.313 10.894 594 HA THR 80 HA THR 80 2.205 -2.660 13.550 595 HB THR 80 HB THR 80 0.507 -3.830 11.312 596 HG1 THR 80 HG1 THR 80 1.784 -1.641 11.202 597 HG21 THR 80 3HG2 THR 80 -0.298 -2.167 13.711 598 HG22 THR 80 1HG2 THR 80 -0.552 -3.903 13.544 599 HG23 THR 80 2HG2 THR 80 -1.383 -2.791 12.466 600 HA PRO 81 HA PRO 81 2.557 -6.849 15.074 601 HB2 PRO 81 1HB PRO 81 2.112 -6.399 17.605 602 HB3 PRO 81 2HB PRO 81 3.576 -5.841 16.741 603 HG2 PRO 81 1HG PRO 81 1.121 -4.264 17.493 604 HG3 PRO 81 2HG PRO 81 2.833 -3.824 17.699 605 HD2 PRO 81 1HD PRO 81 1.286 -2.999 15.598 606 HD3 PRO 81 2HD PRO 81 3.058 -3.178 15.527 607 H ARG 82 H ARG 82 0.524 -6.610 13.877 608 HA ARG 82 HA ARG 82 -1.849 -7.245 15.522 609 HE ARG 82 HE ARG 82 -2.129 -4.448 10.836 610 HB2 ARG 82 1HB ARG 82 -3.199 -7.154 13.488 611 HB3 ARG 82 2HB ARG 82 -2.242 -5.684 13.682 612 HG2 ARG 82 1HG ARG 82 -0.742 -6.350 11.976 613 HG3 ARG 82 2HG ARG 82 -1.453 -7.973 11.907 614 HD2 ARG 82 1HD ARG 82 -2.244 -6.666 10.059 615 HD3 ARG 82 2HD ARG 82 -3.578 -6.968 11.182 616 HH11 ARG 82 1HH1 ARG 82 -5.009 -6.153 11.993 617 HH12 ARG 82 2HH1 ARG 82 -5.942 -4.745 12.187 618 HH21 ARG 82 1HH2 ARG 82 -3.426 -2.489 11.085 619 HH22 ARG 82 2HH2 ARG 82 -5.019 -2.603 11.653 620 H SER 83 H SER 83 -3.248 -9.136 14.592 621 HA SER 83 HA SER 83 -1.571 -11.433 14.757 622 HG SER 83 HG SER 83 -2.810 -10.882 16.463 623 HB2 SER 83 1HB SER 83 -4.551 -11.209 14.388 624 HB3 SER 83 2HB SER 83 -3.662 -12.665 14.852 625 H GLU 84 H GLU 84 -3.691 -10.072 12.219 626 HA GLU 84 HA GLU 84 -3.007 -12.139 10.358 627 HB2 GLU 84 1HB GLU 84 -4.106 -9.380 9.833 628 HB3 GLU 84 2HB GLU 84 -4.014 -10.711 8.675 629 HG2 GLU 84 1HG GLU 84 -5.619 -11.959 10.074 630 HG3 GLU 84 2HG GLU 84 -5.758 -10.543 11.125 631 HA PRO 85 HA PRO 85 0.835 -10.463 9.214 632 HB2 PRO 85 1HB PRO 85 1.113 -11.335 6.645 633 HB3 PRO 85 2HB PRO 85 1.321 -12.367 8.074 634 HG2 PRO 85 1HG PRO 85 -0.948 -12.160 6.173 635 HG3 PRO 85 2HG PRO 85 -0.345 -13.563 7.084 636 HD2 PRO 85 1HD PRO 85 -2.581 -12.059 7.738 637 HD3 PRO 85 2HD PRO 85 -1.684 -13.114 8.855 638 H HIS 86 H HIS 86 -1.565 -9.918 6.598 639 HA HIS 86 HA HIS 86 -1.868 -8.175 5.088 640 HD2 HIS 86 HD2 HIS 86 -3.175 -8.567 8.194 641 HE1 HIS 86 HE1 HIS 86 -5.834 -5.413 7.283 642 HE2 HIS 86 HE2 HIS 86 -5.569 -7.652 8.499 643 HB2 HIS 86 1HB HIS 86 -0.890 -6.656 7.518 644 HB3 HIS 86 2HB HIS 86 -1.357 -5.844 6.016 645 H CYS 87 H CYS 87 0.316 -9.566 4.631 646 HA CYS 87 HA CYS 87 2.517 -7.755 4.734 647 HG CYS 87 HG CYS 87 2.438 -12.095 5.555 648 HB2 CYS 87 1HB CYS 87 3.871 -9.836 4.009 649 HB3 CYS 87 2HB CYS 87 3.267 -9.600 5.652 650 H LEU 88 H LEU 88 0.369 -8.007 2.601 651 HA LEU 88 HA LEU 88 2.027 -8.163 0.186 652 HG LEU 88 HG LEU 88 1.316 -10.561 0.940 653 HB2 LEU 88 1HB LEU 88 -0.634 -9.361 0.774 654 HB3 LEU 88 2HB LEU 88 -0.264 -8.967 -0.871 655 HD11 LEU 88 1HD1 LEU 88 -0.433 -11.469 -1.375 656 HD12 LEU 88 2HD1 LEU 88 -0.718 -11.808 0.357 657 HD13 LEU 88 3HD1 LEU 88 0.689 -12.499 -0.477 658 HD21 LEU 88 3HD2 LEU 88 2.430 -11.418 -1.175 659 HD22 LEU 88 1HD2 LEU 88 2.803 -9.770 -0.650 660 HD23 LEU 88 2HD2 LEU 88 1.654 -10.045 -1.956 661 H VAL 89 H VAL 89 2.319 -6.675 -0.789 662 HA VAL 89 HA VAL 89 0.193 -4.694 -0.952 663 HB VAL 89 HB VAL 89 1.809 -2.873 -0.749 664 HG11 VAL 89 1HG1 VAL 89 0.698 -3.436 1.293 665 HG12 VAL 89 2HG1 VAL 89 2.395 -3.040 1.636 666 HG13 VAL 89 3HG1 VAL 89 1.874 -4.724 1.587 667 HG21 VAL 89 3HG2 VAL 89 4.102 -3.215 -0.041 668 HG22 VAL 89 1HG2 VAL 89 3.752 -4.074 -1.541 669 HG23 VAL 89 2HG2 VAL 89 3.841 -4.968 -0.018 670 H LEU 90 H LEU 90 0.079 -3.816 -2.956 671 HA LEU 90 HA LEU 90 2.090 -4.745 -4.843 672 HG LEU 90 HG LEU 90 -1.084 -2.953 -4.866 673 HB2 LEU 90 1HB LEU 90 0.461 -4.762 -6.557 674 HB3 LEU 90 2HB LEU 90 -0.355 -5.395 -5.141 675 HD11 LEU 90 1HD1 LEU 90 -0.647 -3.228 -7.820 676 HD12 LEU 90 2HD1 LEU 90 0.185 -2.107 -6.764 677 HD13 LEU 90 3HD1 LEU 90 -1.552 -1.893 -7.091 678 HD21 LEU 90 3HD2 LEU 90 -3.148 -3.451 -6.157 679 HD22 LEU 90 1HD2 LEU 90 -2.638 -4.758 -5.092 680 HD23 LEU 90 2HD2 LEU 90 -2.333 -4.864 -6.829 681 H SER 91 H SER 91 2.875 -3.192 -6.373 682 HA SER 91 HA SER 91 3.087 -0.555 -5.195 683 HG SER 91 HG SER 91 3.431 -1.857 -8.140 684 HB2 SER 91 1HB SER 91 4.973 -0.329 -6.650 685 HB3 SER 91 2HB SER 91 4.971 -2.020 -6.104 686 H LEU 92 H LEU 92 2.174 1.226 -6.094 687 HA LEU 92 HA LEU 92 0.499 0.953 -8.460 688 HG LEU 92 HG LEU 92 -0.522 1.065 -5.898 689 HB2 LEU 92 1HB LEU 92 0.982 3.110 -6.436 690 HB3 LEU 92 2HB LEU 92 -0.079 3.314 -7.833 691 HD11 LEU 92 1HD1 LEU 92 -1.638 3.838 -5.770 692 HD12 LEU 92 2HD1 LEU 92 -0.460 3.156 -4.640 693 HD13 LEU 92 3HD1 LEU 92 -2.082 2.467 -4.756 694 HD21 LEU 92 3HD2 LEU 92 -2.297 2.685 -7.631 695 HD22 LEU 92 1HD2 LEU 92 -2.750 1.240 -6.735 696 HD23 LEU 92 2HD2 LEU 92 -1.629 1.111 -8.108 697 H ASP 93 H ASP 93 3.478 1.019 -8.281 698 HA ASP 93 HA ASP 93 4.076 3.341 -9.974 699 HB2 ASP 93 1HB ASP 93 5.861 1.693 -8.170 700 HB3 ASP 93 2HB ASP 93 6.451 2.940 -9.277 701 H ASN 94 H ASN 94 5.196 0.000 -9.438 702 HA ASN 94 HA ASN 94 5.765 -0.200 -12.336 703 HB2 ASN 94 1HB ASN 94 7.631 -0.654 -10.751 704 HB3 ASN 94 2HB ASN 94 6.679 -1.979 -10.069 705 HD21 ASN 94 1HD2 ASN 94 8.075 -3.575 -10.601 706 HD22 ASN 94 2HD2 ASN 94 8.428 -4.055 -12.235 707 H TRP 95 H TRP 95 3.692 -1.071 -9.952 708 HA TRP 95 HA TRP 95 2.067 -2.531 -9.587 709 HD1 TRP 95 HD1 TRP 95 2.084 -0.621 -13.380 710 HE1 TRP 95 HE1 TRP 95 0.309 1.211 -13.192 711 HE3 TRP 95 HE3 TRP 95 -0.914 -2.773 -9.869 712 HZ2 TRP 95 HZ2 TRP 95 -2.056 1.703 -11.734 713 HZ3 TRP 95 HZ3 TRP 95 -2.914 -1.556 -9.126 714 HH2 TRP 95 HH2 TRP 95 -3.469 0.633 -10.038 715 HB2 TRP 95 1HB TRP 95 2.214 -3.106 -12.570 716 HB3 TRP 95 2HB TRP 95 0.942 -3.693 -11.504 717 H SER 96 H SER 96 4.417 -3.339 -8.697 718 HA SER 96 HA SER 96 4.613 -6.154 -9.407 719 HG SER 96 HG SER 96 7.734 -5.270 -9.244 720 HB2 SER 96 1HB SER 96 6.150 -4.583 -7.347 721 HB3 SER 96 2HB SER 96 6.492 -6.190 -7.958 722 H VAL 97 H VAL 97 4.692 -7.557 -7.474 723 HA VAL 97 HA VAL 97 3.007 -6.503 -5.341 724 HB VAL 97 HB VAL 97 3.181 -9.277 -6.535 725 HG11 VAL 97 1HG1 VAL 97 1.765 -9.999 -4.726 726 HG12 VAL 97 2HG1 VAL 97 1.926 -8.382 -3.976 727 HG13 VAL 97 3HG1 VAL 97 3.347 -9.439 -4.137 728 HG21 VAL 97 3HG2 VAL 97 1.584 -7.676 -7.461 729 HG22 VAL 97 1HG2 VAL 97 0.863 -7.517 -5.858 730 HG23 VAL 97 2HG2 VAL 97 0.848 -9.085 -6.689 731 H TRP 98 H TRP 98 3.797 -6.781 -3.306 732 HA TRP 98 HA TRP 98 6.446 -7.977 -3.155 733 HD1 TRP 98 HD1 TRP 98 7.117 -6.337 0.575 734 HE1 TRP 98 HE1 TRP 98 9.608 -6.924 0.861 735 HE3 TRP 98 HE3 TRP 98 8.488 -6.383 -4.338 736 HZ2 TRP 98 HZ2 TRP 98 11.810 -7.352 -0.769 737 HZ3 TRP 98 HZ3 TRP 98 10.790 -6.890 -4.920 738 HH2 TRP 98 HH2 TRP 98 12.467 -7.360 -3.167 739 HB2 TRP 98 1HB TRP 98 6.412 -5.339 -2.982 740 HB3 TRP 98 2HB TRP 98 5.642 -5.664 -1.432 741 H CYS 99 H CYS 99 6.713 -9.413 -1.524 742 HA CYS 99 HA CYS 99 4.557 -9.429 0.419 743 HB2 CYS 99 1HB CYS 99 4.375 -11.396 -0.931 744 HB3 CYS 99 2HB CYS 99 6.093 -11.771 -0.774 745 H TYR 100 H TYR 100 5.274 -8.814 2.223 746 HA TYR 100 HA TYR 100 8.041 -8.251 2.614 747 HD1 TYR 100 HD1 TYR 100 8.234 -5.792 3.332 748 HD2 TYR 100 HD2 TYR 100 4.181 -6.909 3.866 749 HE1 TYR 100 HE1 TYR 100 7.557 -3.571 2.555 750 HE2 TYR 100 HE2 TYR 100 3.461 -4.662 3.069 751 HH TYR 100 HH TYR 100 5.576 -2.534 1.515 752 HB2 TYR 100 1HB TYR 100 5.792 -8.290 4.585 753 HB3 TYR 100 2HB TYR 100 7.418 -7.680 4.903 754 H VAL 101 H VAL 101 6.064 -10.905 3.508 755 HA VAL 101 HA VAL 101 8.000 -11.853 5.459 756 HB VAL 101 HB VAL 101 5.606 -12.044 5.950 757 HG11 VAL 101 1HG1 VAL 101 4.228 -13.677 4.712 758 HG12 VAL 101 2HG1 VAL 101 5.604 -13.807 3.574 759 HG13 VAL 101 3HG1 VAL 101 4.790 -12.282 3.772 760 HG21 VAL 101 3HG2 VAL 101 6.932 -14.745 5.644 761 HG22 VAL 101 1HG2 VAL 101 5.504 -14.417 6.629 762 HG23 VAL 101 2HG2 VAL 101 7.043 -13.665 7.039 763 H CYS 102 H CYS 102 7.334 -12.255 2.125 764 HA CYS 102 HA CYS 102 8.929 -14.689 1.959 765 HB2 CYS 102 1HB CYS 102 7.343 -13.036 0.048 766 HB3 CYS 102 2HB CYS 102 8.633 -14.060 -0.576 767 H ASP 103 H ASP 103 8.874 -11.321 1.575 768 HA ASP 103 HA ASP 103 10.289 -9.686 1.214 769 HB2 ASP 103 1HB ASP 103 11.436 -10.793 3.125 770 HB3 ASP 103 2HB ASP 103 12.493 -11.620 1.968 771 H ASN 104 H ASN 104 9.404 -10.656 -1.040 772 HA ASN 104 HA ASN 104 11.519 -10.097 -2.792 773 HB2 ASN 104 1HB ASN 104 11.341 -12.109 -4.085 774 HB3 ASN 104 2HB ASN 104 11.606 -12.563 -2.380 775 HD21 ASN 104 1HD2 ASN 104 9.309 -12.278 -4.869 776 HD22 ASN 104 2HD2 ASN 104 8.004 -13.079 -4.121 777 H GLU 105 H GLU 105 10.368 -10.325 -5.062 778 HA GLU 105 HA GLU 105 7.893 -8.881 -4.985 779 HB2 GLU 105 1HB GLU 105 9.813 -8.311 -6.231 780 HB3 GLU 105 2HB GLU 105 9.631 -9.748 -7.237 781 HG2 GLU 105 1HG GLU 105 7.413 -9.083 -7.845 782 HG3 GLU 105 2HG GLU 105 7.603 -7.602 -6.908 783 H VAL 106 H VAL 106 5.993 -9.878 -5.758 784 HA VAL 106 HA VAL 106 6.193 -12.712 -6.429 785 HB VAL 106 HB VAL 106 3.594 -11.189 -5.939 786 HG11 VAL 106 1HG1 VAL 106 2.674 -13.427 -5.561 787 HG12 VAL 106 2HG1 VAL 106 4.241 -14.133 -5.947 788 HG13 VAL 106 3HG1 VAL 106 3.338 -13.264 -7.188 789 HG21 VAL 106 3HG2 VAL 106 5.022 -11.101 -3.941 790 HG22 VAL 106 1HG2 VAL 106 5.213 -12.853 -3.997 791 HG23 VAL 106 2HG2 VAL 106 3.627 -12.147 -3.683 792 H GLN 107 H GLN 107 5.485 -13.576 -8.320 793 HA GLN 107 HA GLN 107 5.648 -11.817 -10.611 794 HB2 GLN 107 1HB GLN 107 5.343 -14.829 -10.574 795 HB3 GLN 107 2HB GLN 107 5.689 -13.835 -11.979 796 HG2 GLN 107 1HG GLN 107 7.709 -14.850 -11.437 797 HG3 GLN 107 2HG GLN 107 7.864 -13.223 -10.797 798 HE21 GLN 107 1HE2 GLN 107 8.039 -12.961 -8.587 799 HE22 GLN 107 2HE2 GLN 107 8.248 -14.301 -7.499 800 H TYR 108 H TYR 108 3.401 -14.123 -9.302 801 HA TYR 108 HA TYR 108 1.317 -14.841 -9.817 802 HD1 TYR 108 HD2 TYR 108 -0.486 -11.485 -11.652 803 HD2 TYR 108 HD1 TYR 108 2.037 -11.100 -8.283 804 HE1 TYR 108 HE2 TYR 108 -0.101 -9.153 -12.233 805 HE2 TYR 108 HE1 TYR 108 2.461 -8.847 -8.776 806 HH TYR 108 HH TYR 108 2.339 -7.233 -10.743 807 HB2 TYR 108 1HB TYR 108 -0.472 -13.111 -9.868 808 HB3 TYR 108 2HB TYR 108 0.646 -12.975 -8.510 809 H CYS 109 H CYS 109 -0.715 -14.434 -11.239 810 HA CYS 109 HA CYS 109 -0.104 -13.934 -14.001 811 HG CYS 109 HG CYS 109 0.360 -16.718 -16.011 812 HB2 CYS 109 1HB CYS 109 0.647 -16.310 -13.538 813 HB3 CYS 109 2HB CYS 109 -1.016 -16.674 -13.055 814 H SER 110 H SER 110 -2.218 -13.761 -15.155 815 HA SER 110 HA SER 110 -4.154 -12.596 -13.492 816 HG SER 110 HG SER 110 -2.921 -11.995 -16.469 817 HB2 SER 110 1HB SER 110 -4.444 -13.457 -16.383 818 HB3 SER 110 2HB SER 110 -5.509 -12.343 -15.529 819 H SER 111 H SER 111 -3.868 -15.870 -14.637 820 HA SER 111 HA SER 111 -6.514 -16.668 -13.998 821 HG SER 111 HG SER 111 -3.296 -17.864 -15.490 822 HB2 SER 111 1HB SER 111 -5.405 -18.980 -14.169 823 HB3 SER 111 2HB SER 111 -5.364 -17.951 -15.614 824 H ASN 112 H ASN 112 -3.602 -16.277 -12.210 825 HA ASN 112 HA ASN 112 -4.434 -17.898 -9.961 826 HB2 ASN 112 1HB ASN 112 -2.020 -17.713 -10.437 827 HB3 ASN 112 2HB ASN 112 -2.119 -15.954 -10.271 828 HD21 ASN 112 1HD2 ASN 112 -2.105 -18.987 -8.587 829 HD22 ASN 112 2HD2 ASN 112 -1.914 -18.340 -6.994 830 H GLN 113 H GLN 113 -5.141 -17.071 -8.023 831 HA GLN 113 HA GLN 113 -6.991 -15.059 -7.946 832 HB2 GLN 113 1HB GLN 113 -6.870 -16.717 -6.244 833 HB3 GLN 113 2HB GLN 113 -5.257 -16.183 -5.756 834 HG2 GLN 113 1HG GLN 113 -6.366 -14.017 -5.090 835 HG3 GLN 113 2HG GLN 113 -7.908 -14.860 -5.324 836 HE21 GLN 113 1HE2 GLN 113 -6.555 -13.783 -3.041 837 HE22 GLN 113 2HE2 GLN 113 -6.409 -14.985 -1.814 838 H LEU 114 H LEU 114 -3.461 -14.703 -7.199 839 HA LEU 114 HA LEU 114 -3.702 -11.998 -6.254 840 HG LEU 114 HG LEU 114 -0.773 -11.322 -7.243 841 HB2 LEU 114 1HB LEU 114 -1.939 -13.509 -5.542 842 HB3 LEU 114 2HB LEU 114 -1.401 -13.663 -7.215 843 HD11 LEU 114 1HD1 LEU 114 -1.633 -11.280 -4.351 844 HD12 LEU 114 2HD1 LEU 114 -2.447 -10.457 -5.688 845 HD13 LEU 114 3HD1 LEU 114 -0.814 -9.980 -5.222 846 HD21 LEU 114 3HD2 LEU 114 1.100 -11.469 -5.808 847 HD22 LEU 114 1HD2 LEU 114 0.762 -13.051 -6.489 848 HD23 LEU 114 2HD2 LEU 114 0.307 -12.700 -4.815 849 H GLY 115 H GLY 115 -3.048 -13.526 -9.274 850 HA2 GLY 115 1HA GLY 115 -2.407 -11.048 -10.562 851 HA3 GLY 115 2HA GLY 115 -2.832 -12.549 -11.397 852 H GLN 116 H GLN 116 -5.430 -13.068 -10.252 853 HA GLN 116 HA GLN 116 -7.148 -11.587 -11.712 854 HB2 GLN 116 1HB GLN 116 -7.651 -12.831 -9.006 855 HB3 GLN 116 2HB GLN 116 -8.878 -12.455 -10.211 856 HG2 GLN 116 1HG GLN 116 -7.659 -14.051 -11.686 857 HG3 GLN 116 2HG GLN 116 -6.784 -14.543 -10.246 858 HE21 GLN 116 1HE2 GLN 116 -7.658 -16.574 -10.348 859 HE22 GLN 116 2HE2 GLN 116 -9.285 -16.925 -9.842 860 H VAL 117 H VAL 117 -5.958 -11.073 -8.444 861 HA VAL 117 HA VAL 117 -7.917 -9.141 -8.087 862 HB VAL 117 HB VAL 117 -5.852 -10.227 -6.222 863 HG11 VAL 117 1HG1 VAL 117 -5.679 -7.771 -6.006 864 HG12 VAL 117 2HG1 VAL 117 -6.373 -8.516 -4.547 865 HG13 VAL 117 3HG1 VAL 117 -7.415 -7.686 -5.726 866 HG21 VAL 117 3HG2 VAL 117 -7.908 -10.370 -4.844 867 HG22 VAL 117 1HG2 VAL 117 -7.989 -11.232 -6.402 868 HG23 VAL 117 2HG2 VAL 117 -8.766 -9.651 -6.195 869 H VAL 118 H VAL 118 -4.339 -9.092 -8.427 870 HA VAL 118 HA VAL 118 -3.983 -6.360 -8.408 871 HB VAL 118 HB VAL 118 -2.582 -8.443 -10.069 872 HG11 VAL 118 1HG1 VAL 118 -2.234 -6.205 -11.074 873 HG12 VAL 118 2HG1 VAL 118 -0.736 -6.769 -10.331 874 HG13 VAL 118 3HG1 VAL 118 -1.733 -5.573 -9.506 875 HG21 VAL 118 3HG2 VAL 118 -0.805 -8.220 -8.408 876 HG22 VAL 118 1HG2 VAL 118 -2.331 -8.736 -7.669 877 HG23 VAL 118 2HG2 VAL 118 -1.792 -7.049 -7.540 878 H ASP 119 H ASP 119 -5.235 -8.394 -10.957 879 HA ASP 119 HA ASP 119 -5.073 -6.417 -13.022 880 HB2 ASP 119 1HB ASP 119 -5.284 -8.938 -13.385 881 HB3 ASP 119 2HB ASP 119 -6.920 -8.799 -12.753 882 H TYR 120 H TYR 120 -7.461 -7.500 -10.732 883 HA TYR 120 HA TYR 120 -9.611 -5.843 -11.633 884 HD1 TYR 120 HD1 TYR 120 -12.127 -5.559 -10.104 885 HD2 TYR 120 HD2 TYR 120 -9.402 -6.788 -7.072 886 HE1 TYR 120 HE1 TYR 120 -13.452 -4.401 -8.412 887 HE2 TYR 120 HE2 TYR 120 -10.668 -5.673 -5.412 888 HH TYR 120 HH TYR 120 -13.818 -4.326 -6.169 889 HB2 TYR 120 1HB TYR 120 -10.475 -7.591 -10.319 890 HB3 TYR 120 2HB TYR 120 -9.096 -7.560 -9.210 891 H VAL 121 H VAL 121 -7.223 -5.506 -9.082 892 HA VAL 121 HA VAL 121 -8.328 -3.066 -8.143 893 HB VAL 121 HB VAL 121 -5.654 -4.424 -7.610 894 HG11 VAL 121 1HG1 VAL 121 -5.499 -3.026 -5.642 895 HG12 VAL 121 2HG1 VAL 121 -6.982 -2.200 -6.135 896 HG13 VAL 121 3HG1 VAL 121 -5.525 -2.065 -7.125 897 HG21 VAL 121 3HG2 VAL 121 -8.235 -4.452 -6.085 898 HG22 VAL 121 1HG2 VAL 121 -6.690 -5.044 -5.447 899 HG23 VAL 121 2HG2 VAL 121 -7.413 -5.794 -6.868 900 H ARG 122 H ARG 122 -5.952 -3.984 -10.474 901 HA ARG 122 HA ARG 122 -4.905 -1.389 -10.831 902 HE ARG 122 HE ARG 122 -3.847 -3.552 -15.260 903 HB2 ARG 122 1HB ARG 122 -3.827 -3.475 -11.668 904 HB3 ARG 122 2HB ARG 122 -5.109 -3.571 -12.886 905 HG2 ARG 122 1HG ARG 122 -4.388 -1.621 -13.944 906 HG3 ARG 122 2HG ARG 122 -3.383 -1.183 -12.553 907 HD2 ARG 122 1HD ARG 122 -1.944 -2.071 -14.342 908 HD3 ARG 122 2HD ARG 122 -2.032 -3.226 -13.004 909 HH11 ARG 122 1HH1 ARG 122 -1.035 -4.705 -13.482 910 HH12 ARG 122 2HH1 ARG 122 -1.016 -6.257 -14.149 911 HH21 ARG 122 1HH2 ARG 122 -3.902 -5.707 -16.187 912 HH22 ARG 122 2HH2 ARG 122 -2.746 -6.851 -15.738 913 H LYS 123 H LYS 123 -7.736 -3.130 -12.193 914 HA LYS 123 HA LYS 123 -8.477 -1.063 -13.957 915 HB2 LYS 123 1HB LYS 123 -10.169 -3.076 -12.487 916 HB3 LYS 123 2HB LYS 123 -10.669 -2.143 -13.872 917 HG2 LYS 123 1HG LYS 123 -8.482 -4.211 -13.923 918 HG3 LYS 123 2HG LYS 123 -10.182 -4.533 -14.293 919 HD2 LYS 123 1HD LYS 123 -9.260 -4.268 -16.360 920 HD3 LYS 123 2HD LYS 123 -9.912 -2.663 -15.997 921 HE2 LYS 123 1HE LYS 123 -7.620 -1.901 -15.367 922 HE3 LYS 123 2HE LYS 123 -7.014 -3.511 -15.721 923 HZ1 LYS 123 3HZ LYS 123 -8.199 -1.613 -17.659 924 HZ2 LYS 123 1HZ LYS 123 -7.690 -3.188 -18.021 925 HZ3 LYS 123 2HZ LYS 123 -6.577 -2.043 -17.515 926 H GLN 124 H GLN 124 -8.684 -1.472 -10.545 927 HA GLN 124 HA GLN 124 -10.938 0.272 -10.270 928 HB2 GLN 124 1HB GLN 124 -8.995 -0.548 -8.142 929 HB3 GLN 124 2HB GLN 124 -10.401 0.482 -7.854 930 HG2 GLN 124 1HG GLN 124 -10.221 -2.449 -8.176 931 HG3 GLN 124 2HG GLN 124 -11.338 -1.385 -7.302 932 HE21 GLN 124 1HE2 GLN 124 -10.628 -2.906 -10.213 933 HE22 GLN 124 2HE2 GLN 124 -12.142 -2.812 -10.985 934 H ALA 125 H ALA 125 -7.509 0.512 -9.710 935 HA ALA 125 HA ALA 125 -7.399 3.284 -9.042 936 HB1 ALA 125 3HB ALA 125 -5.018 2.956 -9.171 937 HB2 ALA 125 1HB ALA 125 -5.267 1.405 -9.996 938 HB3 ALA 125 2HB ALA 125 -5.798 1.617 -8.319 939 H SER 126 H SER 126 -6.753 1.415 -11.918 940 HA SER 126 HA SER 126 -6.183 3.786 -13.453 941 HG SER 126 HG SER 126 -4.961 0.881 -13.083 942 HB2 SER 126 1HB SER 126 -6.620 0.951 -14.401 943 HB3 SER 126 2HB SER 126 -5.871 2.263 -15.327 Start of MODEL 7 1 HA PRO 5 HA PRO 5 10.266 -20.140 -6.813 2 HB2 PRO 5 1HB PRO 5 8.068 -21.171 -8.053 3 HB3 PRO 5 2HB PRO 5 9.655 -22.001 -8.070 4 HG2 PRO 5 1HG PRO 5 7.157 -22.528 -6.549 5 HG3 PRO 5 2HG PRO 5 8.427 -23.667 -7.042 6 HD2 PRO 5 1HD PRO 5 8.090 -22.797 -4.502 7 HD3 PRO 5 2HD PRO 5 9.673 -23.264 -5.166 8 H VAL 6 H VAL 6 7.271 -20.433 -5.305 9 HA VAL 6 HA VAL 6 6.550 -17.736 -6.117 10 HB VAL 6 HB VAL 6 5.411 -19.603 -7.457 11 HG11 VAL 6 1HG1 VAL 6 3.928 -20.044 -4.888 12 HG12 VAL 6 2HG1 VAL 6 4.987 -21.189 -5.712 13 HG13 VAL 6 3HG1 VAL 6 3.464 -20.703 -6.460 14 HG21 VAL 6 3HG2 VAL 6 4.656 -17.305 -7.321 15 HG22 VAL 6 1HG2 VAL 6 3.595 -17.734 -5.975 16 HG23 VAL 6 2HG2 VAL 6 3.319 -18.448 -7.583 17 H CYS 7 H CYS 7 4.573 -17.121 -4.621 18 HA CYS 7 HA CYS 7 5.355 -17.794 -1.937 19 HB2 CYS 7 1HB CYS 7 5.473 -15.443 -2.326 20 HB3 CYS 7 2HB CYS 7 3.934 -15.451 -3.195 21 H ARG 8 H ARG 8 3.927 -18.559 -0.581 22 HA ARG 8 HA ARG 8 1.343 -19.507 -1.632 23 HE ARG 8 HE ARG 8 4.731 -21.680 0.339 24 HB2 ARG 8 1HB ARG 8 3.099 -20.689 0.491 25 HB3 ARG 8 2HB ARG 8 1.414 -21.169 0.268 26 HG2 ARG 8 1HG ARG 8 2.587 -22.794 -0.889 27 HG3 ARG 8 2HG ARG 8 2.110 -21.651 -2.147 28 HD2 ARG 8 1HD ARG 8 4.398 -22.310 -2.496 29 HD3 ARG 8 2HD ARG 8 4.335 -20.616 -1.998 30 HH11 ARG 8 1HH1 ARG 8 6.212 -22.844 -2.657 31 HH12 ARG 8 2HH1 ARG 8 7.675 -23.316 -1.914 32 HH21 ARG 8 1HH2 ARG 8 6.711 -22.352 1.361 33 HH22 ARG 8 2HH2 ARG 8 7.947 -23.047 0.449 34 H HIS 9 H HIS 9 2.303 -16.971 -0.089 35 HA HIS 9 HA HIS 9 0.449 -17.073 2.253 36 HD2 HIS 9 HD2 HIS 9 2.211 -17.336 4.592 37 HE1 HIS 9 HE1 HIS 9 6.229 -16.750 3.412 38 HE2 HIS 9 HE2 HIS 9 4.706 -17.837 5.123 39 HB2 HIS 9 1HB HIS 9 2.466 -14.952 1.450 40 HB3 HIS 9 2HB HIS 9 1.463 -14.946 2.900 41 H ILE 10 H ILE 10 -0.030 -16.889 -0.727 42 HA ILE 10 HA ILE 10 -0.572 -14.415 -1.504 43 HB ILE 10 HB ILE 10 -1.991 -16.938 -2.362 44 HG12 ILE 10 1HG1 ILE 10 0.422 -17.030 -2.705 45 HG13 ILE 10 2HG1 ILE 10 -0.402 -16.835 -4.261 46 HG21 ILE 10 1HG2 ILE 10 -3.366 -15.082 -3.063 47 HG22 ILE 10 2HG2 ILE 10 -2.547 -15.762 -4.470 48 HG23 ILE 10 3HG2 ILE 10 -1.965 -14.262 -3.745 49 HD11 ILE 10 3HD1 ILE 10 1.009 -14.709 -2.697 50 HD12 ILE 10 1HD1 ILE 10 0.183 -14.481 -4.248 51 HD13 ILE 10 2HD1 ILE 10 1.602 -15.539 -4.136 52 H ARG 11 H ARG 11 -2.730 -16.943 -0.435 53 HA ARG 11 HA ARG 11 -5.139 -15.565 -0.308 54 HE ARG 11 HE ARG 11 -6.269 -19.965 -2.378 55 HB2 ARG 11 1HB ARG 11 -4.222 -18.005 1.144 56 HB3 ARG 11 2HB ARG 11 -5.895 -17.466 1.139 57 HG2 ARG 11 1HG ARG 11 -6.066 -17.830 -1.242 58 HG3 ARG 11 2HG ARG 11 -4.334 -18.189 -1.349 59 HD2 ARG 11 1HD ARG 11 -4.647 -20.174 0.024 60 HD3 ARG 11 2HD ARG 11 -6.355 -19.793 0.214 61 HH11 ARG 11 1HH1 ARG 11 -4.442 -22.049 -0.189 62 HH12 ARG 11 2HH1 ARG 11 -4.737 -23.492 -1.038 63 HH21 ARG 11 1HH2 ARG 11 -6.660 -21.962 -3.604 64 HH22 ARG 11 2HH2 ARG 11 -6.030 -23.442 -3.044 65 H LYS 12 H LYS 12 -2.616 -15.975 2.090 66 HA LYS 12 HA LYS 12 -4.052 -15.014 4.346 67 HB2 LYS 12 1HB LYS 12 -1.099 -14.974 3.761 68 HB3 LYS 12 2HB LYS 12 -1.824 -14.585 5.309 69 HG2 LYS 12 1HG LYS 12 -2.622 -16.860 5.526 70 HG3 LYS 12 2HG LYS 12 -1.946 -17.247 3.928 71 HD2 LYS 12 1HD LYS 12 0.269 -16.708 4.707 72 HD3 LYS 12 2HD LYS 12 -0.367 -16.234 6.281 73 HE2 LYS 12 1HE LYS 12 -0.648 -18.962 5.095 74 HE3 LYS 12 2HE LYS 12 0.665 -18.516 6.191 75 HZ1 LYS 12 3HZ LYS 12 -1.158 -17.937 7.833 76 HZ2 LYS 12 1HZ LYS 12 -1.034 -19.575 7.453 77 HZ3 LYS 12 2HZ LYS 12 -2.245 -18.656 6.768 78 H GLY 13 H GLY 13 -2.285 -13.510 1.822 79 HA2 GLY 13 1HA GLY 13 -2.479 -10.870 3.139 80 HA3 GLY 13 2HA GLY 13 -1.344 -11.334 1.894 81 H LEU 14 H LEU 14 -4.373 -12.516 1.163 82 HA LEU 14 HA LEU 14 -5.036 -10.123 -0.379 83 HG LEU 14 HG LEU 14 -5.295 -10.393 -2.828 84 HB2 LEU 14 1HB LEU 14 -3.781 -11.990 -1.589 85 HB3 LEU 14 2HB LEU 14 -5.227 -12.956 -1.328 86 HD11 LEU 14 1HD1 LEU 14 -3.626 -11.760 -3.827 87 HD12 LEU 14 2HD1 LEU 14 -5.091 -11.771 -4.837 88 HD13 LEU 14 3HD1 LEU 14 -4.709 -13.152 -3.790 89 HD21 LEU 14 3HD2 LEU 14 -7.034 -12.828 -2.733 90 HD22 LEU 14 1HD2 LEU 14 -7.100 -11.604 -3.998 91 HD23 LEU 14 2HD2 LEU 14 -7.466 -11.155 -2.320 92 H GLU 15 H GLU 15 -7.006 -9.535 0.384 93 HA GLU 15 HA GLU 15 -8.671 -11.720 1.253 94 HB2 GLU 15 1HB GLU 15 -7.770 -9.958 2.843 95 HB3 GLU 15 2HB GLU 15 -9.010 -8.889 2.202 96 HG2 GLU 15 1HG GLU 15 -9.203 -11.196 4.052 97 HG3 GLU 15 2HG GLU 15 -9.967 -9.638 4.006 98 H GLN 16 H GLN 16 -9.873 -11.764 -0.932 99 HA GLN 16 HA GLN 16 -10.204 -9.577 -2.534 100 HB2 GLN 16 1HB GLN 16 -12.147 -11.878 -2.619 101 HB3 GLN 16 2HB GLN 16 -11.820 -10.643 -3.835 102 HG2 GLN 16 1HG GLN 16 -9.484 -11.496 -3.993 103 HG3 GLN 16 2HG GLN 16 -9.982 -12.826 -2.944 104 HE21 GLN 16 1HE2 GLN 16 -10.371 -11.390 -6.086 105 HE22 GLN 16 2HE2 GLN 16 -11.119 -12.760 -6.835 106 H GLY 17 H GLY 17 -12.498 -10.798 -0.196 107 HA2 GLY 17 1HA GLY 17 -14.732 -9.218 -1.017 108 HA3 GLY 17 2HA GLY 17 -14.567 -10.033 0.545 109 H ASN 18 H ASN 18 -12.249 -8.773 1.422 110 HA ASN 18 HA ASN 18 -13.298 -6.392 2.571 111 HB2 ASN 18 1HB ASN 18 -11.857 -8.016 3.713 112 HB3 ASN 18 2HB ASN 18 -10.605 -7.740 2.532 113 HD21 ASN 18 1HD2 ASN 18 -9.214 -7.377 4.097 114 HD22 ASN 18 2HD2 ASN 18 -9.133 -5.974 5.086 115 H LEU 19 H LEU 19 -11.050 -7.226 0.033 116 HA LEU 19 HA LEU 19 -9.832 -4.791 -0.532 117 HG LEU 19 HG LEU 19 -8.351 -7.687 -2.232 118 HB2 LEU 19 1HB LEU 19 -10.489 -7.187 -2.153 119 HB3 LEU 19 2HB LEU 19 -9.941 -5.725 -2.964 120 HD11 LEU 19 1HD1 LEU 19 -7.680 -5.855 -3.554 121 HD12 LEU 19 2HD1 LEU 19 -6.517 -6.013 -2.199 122 HD13 LEU 19 3HD1 LEU 19 -7.771 -4.749 -2.168 123 HD21 LEU 19 3HD2 LEU 19 -8.768 -7.418 0.157 124 HD22 LEU 19 1HD2 LEU 19 -8.179 -5.760 0.074 125 HD23 LEU 19 2HD2 LEU 19 -7.076 -7.105 -0.241 126 H LYS 20 H LYS 20 -12.902 -6.092 -2.013 127 HA LYS 20 HA LYS 20 -13.327 -3.870 -3.683 128 HB2 LYS 20 1HB LYS 20 -15.192 -5.881 -2.411 129 HB3 LYS 20 2HB LYS 20 -15.787 -4.556 -3.382 130 HG2 LYS 20 1HG LYS 20 -15.753 -6.545 -4.681 131 HG3 LYS 20 2HG LYS 20 -14.505 -5.463 -5.310 132 HD2 LYS 20 1HD LYS 20 -12.832 -6.774 -4.108 133 HD3 LYS 20 2HD LYS 20 -14.112 -7.850 -3.521 134 HE2 LYS 20 1HE LYS 20 -13.360 -7.383 -6.406 135 HE3 LYS 20 2HE LYS 20 -12.916 -8.795 -5.436 136 HZ1 LYS 20 3HZ LYS 20 -15.690 -7.997 -6.188 137 HZ2 LYS 20 1HZ LYS 20 -15.288 -9.355 -5.276 138 HZ3 LYS 20 2HZ LYS 20 -14.803 -9.231 -6.882 139 H LYS 21 H LYS 21 -13.956 -4.312 -0.271 140 HA LYS 21 HA LYS 21 -15.842 -2.150 -0.158 141 HB2 LYS 21 1HB LYS 21 -14.391 -3.394 2.160 142 HB3 LYS 21 2HB LYS 21 -15.992 -2.668 2.134 143 HG2 LYS 21 1HG LYS 21 -15.184 -5.241 0.825 144 HG3 LYS 21 2HG LYS 21 -16.100 -5.099 2.323 145 HD2 LYS 21 1HD LYS 21 -17.899 -4.006 1.073 146 HD3 LYS 21 2HD LYS 21 -16.926 -4.130 -0.405 147 HE2 LYS 21 1HE LYS 21 -16.949 -6.599 -0.139 148 HE3 LYS 21 2HE LYS 21 -18.039 -6.408 1.230 149 HZ1 LYS 21 3HZ LYS 21 -18.577 -5.679 -1.594 150 HZ2 LYS 21 1HZ LYS 21 -19.629 -5.311 -0.319 151 HZ3 LYS 21 2HZ LYS 21 -19.286 -6.913 -0.715 152 H ALA 22 H ALA 22 -12.421 -2.618 0.303 153 HA ALA 22 HA ALA 22 -12.005 -0.129 1.668 154 HB1 ALA 22 3HB ALA 22 -9.664 -0.661 1.417 155 HB2 ALA 22 1HB ALA 22 -10.063 -1.970 0.308 156 HB3 ALA 22 2HB ALA 22 -10.548 -2.077 1.994 157 H LEU 23 H LEU 23 -11.746 -1.356 -1.623 158 HA LEU 23 HA LEU 23 -10.423 0.967 -2.576 159 HG LEU 23 HG LEU 23 -10.517 -2.460 -2.999 160 HB2 LEU 23 1HB LEU 23 -11.812 -1.053 -4.286 161 HB3 LEU 23 2HB LEU 23 -10.442 -0.026 -4.702 162 HD11 LEU 23 1HD1 LEU 23 -8.987 -1.872 -5.480 163 HD12 LEU 23 2HD1 LEU 23 -10.361 -2.960 -5.268 164 HD13 LEU 23 3HD1 LEU 23 -8.822 -3.312 -4.476 165 HD21 LEU 23 3HD2 LEU 23 -9.085 -0.934 -1.786 166 HD22 LEU 23 1HD2 LEU 23 -8.109 -0.638 -3.238 167 HD23 LEU 23 2HD2 LEU 23 -8.152 -2.242 -2.472 168 H VAL 24 H VAL 24 -13.555 0.286 -1.859 169 HA VAL 24 HA VAL 24 -15.105 1.658 -3.765 170 HB VAL 24 HB VAL 24 -15.587 1.481 -0.765 171 HG11 VAL 24 1HG1 VAL 24 -17.892 2.181 -1.206 172 HG12 VAL 24 2HG1 VAL 24 -17.478 2.449 -2.906 173 HG13 VAL 24 3HG1 VAL 24 -16.721 3.433 -1.649 174 HG21 VAL 24 3HG2 VAL 24 -17.281 -0.147 -1.378 175 HG22 VAL 24 1HG2 VAL 24 -15.687 -0.640 -1.949 176 HG23 VAL 24 2HG2 VAL 24 -16.857 0.044 -3.082 177 H ASN 25 H ASN 25 -13.736 3.022 -0.800 178 HA ASN 25 HA ASN 25 -14.184 5.705 -1.948 179 HB2 ASN 25 1HB ASN 25 -14.233 4.759 0.912 180 HB3 ASN 25 2HB ASN 25 -14.162 6.472 0.474 181 HD21 ASN 25 1HD2 ASN 25 -16.200 4.892 1.877 182 HD22 ASN 25 2HD2 ASN 25 -17.678 5.175 1.011 183 H VAL 26 H VAL 26 -11.877 3.772 -2.064 184 HA VAL 26 HA VAL 26 -9.804 4.759 -0.485 185 HB VAL 26 HB VAL 26 -10.271 2.582 -1.720 186 HG11 VAL 26 1HG1 VAL 26 -9.006 2.150 -3.676 187 HG12 VAL 26 2HG1 VAL 26 -8.782 3.896 -3.887 188 HG13 VAL 26 3HG1 VAL 26 -10.405 3.188 -3.887 189 HG21 VAL 26 3HG2 VAL 26 -7.997 1.920 -1.608 190 HG22 VAL 26 1HG2 VAL 26 -8.586 2.840 -0.228 191 HG23 VAL 26 2HG2 VAL 26 -7.515 3.640 -1.417 192 H GLU 27 H GLU 27 -8.021 5.803 -1.143 193 HA GLU 27 HA GLU 27 -8.249 7.547 -3.452 194 HB2 GLU 27 1HB GLU 27 -6.352 8.757 -2.418 195 HB3 GLU 27 2HB GLU 27 -7.854 8.962 -1.557 196 HG2 GLU 27 1HG GLU 27 -5.642 7.068 -0.832 197 HG3 GLU 27 2HG GLU 27 -5.882 8.710 -0.213 198 H TRP 28 H TRP 28 -7.110 7.092 -5.040 199 HA TRP 28 HA TRP 28 -5.261 4.915 -4.846 200 HD1 TRP 28 HD1 TRP 28 -8.850 4.791 -7.153 201 HE1 TRP 28 HE1 TRP 28 -9.496 2.353 -6.592 202 HE3 TRP 28 HE3 TRP 28 -4.320 3.132 -5.646 203 HZ2 TRP 28 HZ2 TRP 28 -8.195 0.069 -5.706 204 HZ3 TRP 28 HZ3 TRP 28 -4.093 0.804 -4.936 205 HH2 TRP 28 HH2 TRP 28 -5.995 -0.689 -4.949 206 HB2 TRP 28 1HB TRP 28 -6.772 6.180 -7.003 207 HB3 TRP 28 2HB TRP 28 -5.380 5.204 -7.469 208 H ASN 29 H ASN 29 -3.305 4.943 -4.932 209 HA ASN 29 HA ASN 29 -1.133 5.545 -5.138 210 HB2 ASN 29 1HB ASN 29 -2.126 6.226 -7.427 211 HB3 ASN 29 2HB ASN 29 -1.876 7.872 -6.862 212 HD21 ASN 29 1HD2 ASN 29 0.152 5.073 -6.332 213 HD22 ASN 29 2HD2 ASN 29 1.517 5.817 -7.102 214 H ILE 30 H ILE 30 -3.117 6.759 -3.353 215 HA ILE 30 HA ILE 30 -1.477 8.991 -2.388 216 HB ILE 30 HB ILE 30 -4.456 8.588 -2.103 217 HG12 ILE 30 1HG1 ILE 30 -2.942 10.764 -3.529 218 HG13 ILE 30 2HG1 ILE 30 -3.777 9.426 -4.341 219 HG21 ILE 30 1HG2 ILE 30 -3.557 9.555 -0.059 220 HG22 ILE 30 2HG2 ILE 30 -4.480 10.766 -0.929 221 HG23 ILE 30 3HG2 ILE 30 -2.714 10.805 -0.982 222 HD11 ILE 30 3HD1 ILE 30 -5.003 11.609 -2.681 223 HD12 ILE 30 1HD1 ILE 30 -5.891 10.318 -3.492 224 HD13 ILE 30 2HD1 ILE 30 -5.012 11.513 -4.446 225 H CYS 31 H CYS 31 -0.323 7.820 -0.949 226 HA CYS 31 HA CYS 31 -1.240 5.829 0.721 227 HB2 CYS 31 1HB CYS 31 1.080 6.153 0.773 228 HB3 CYS 31 2HB CYS 31 1.006 7.837 1.237 229 H GLN 32 H GLN 32 -3.065 5.917 1.650 230 HA GLN 32 HA GLN 32 -4.333 8.169 2.868 231 HB2 GLN 32 1HB GLN 32 -5.871 6.490 3.802 232 HB3 GLN 32 2HB GLN 32 -5.712 6.256 2.062 233 HG2 GLN 32 1HG GLN 32 -4.224 4.417 2.457 234 HG3 GLN 32 2HG GLN 32 -4.391 4.648 4.210 235 HE21 GLN 32 1HE2 GLN 32 -6.045 3.854 1.272 236 HE22 GLN 32 2HE2 GLN 32 -7.386 3.064 2.025 237 H ASP 33 H ASP 33 -1.935 5.963 3.901 238 HA ASP 33 HA ASP 33 -2.520 6.393 6.673 239 HB2 ASP 33 1HB ASP 33 -1.265 4.382 5.683 240 HB3 ASP 33 2HB ASP 33 0.155 5.443 5.660 241 H CYS 34 H CYS 34 -0.940 8.318 4.196 242 HA CYS 34 HA CYS 34 0.585 9.891 5.941 243 HB2 CYS 34 1HB CYS 34 -0.309 9.775 3.133 244 HB3 CYS 34 2HB CYS 34 0.126 11.350 3.752 245 H LYS 35 H LYS 35 -2.635 9.582 4.738 246 HA LYS 35 HA LYS 35 -3.578 12.199 5.133 247 HB2 LYS 35 1HB LYS 35 -3.975 10.881 3.359 248 HB3 LYS 35 2HB LYS 35 -4.528 9.514 4.297 249 HG2 LYS 35 1HG LYS 35 -6.357 10.913 5.102 250 HG3 LYS 35 2HG LYS 35 -5.752 12.114 3.909 251 HD2 LYS 35 1HD LYS 35 -6.336 9.369 3.086 252 HD3 LYS 35 2HD LYS 35 -7.702 10.510 3.146 253 HE2 LYS 35 1HE LYS 35 -5.149 10.708 1.507 254 HE3 LYS 35 2HE LYS 35 -6.772 10.409 0.889 255 HZ1 LYS 35 3HZ LYS 35 -7.388 12.650 1.724 256 HZ2 LYS 35 1HZ LYS 35 -6.202 12.695 0.534 257 HZ3 LYS 35 2HZ LYS 35 -5.785 12.929 2.130 258 H THR 36 H THR 36 -3.670 9.066 6.717 259 HA THR 36 HA THR 36 -5.679 9.943 8.559 260 HB THR 36 HB THR 36 -5.442 7.540 9.406 261 HG1 THR 36 HG1 THR 36 -4.250 7.064 6.920 262 HG21 THR 36 3HG2 THR 36 -7.241 8.258 7.954 263 HG22 THR 36 1HG2 THR 36 -6.723 6.623 7.530 264 HG23 THR 36 2HG2 THR 36 -6.221 8.001 6.535 265 H ASP 37 H ASP 37 -2.725 10.614 8.225 266 HA ASP 37 HA ASP 37 -1.485 9.845 10.609 267 HB2 ASP 37 1HB ASP 37 -0.051 10.507 8.894 268 HB3 ASP 37 2HB ASP 37 -0.945 12.009 8.634 269 H ASN 38 H ASN 38 -2.814 10.169 12.078 270 HA ASN 38 HA ASN 38 -3.849 12.734 12.953 271 HB2 ASN 38 1HB ASN 38 -4.825 10.497 13.597 272 HB3 ASN 38 2HB ASN 38 -3.397 10.299 14.622 273 HD21 ASN 38 1HD2 ASN 38 -6.356 12.054 14.208 274 HD22 ASN 38 2HD2 ASN 38 -6.445 12.708 15.818 275 H LYS 39 H LYS 39 -0.923 11.080 13.255 276 HA LYS 39 HA LYS 39 0.020 11.981 15.775 277 HB2 LYS 39 1HB LYS 39 1.648 11.080 13.405 278 HB3 LYS 39 2HB LYS 39 2.171 11.136 15.093 279 HG2 LYS 39 1HG LYS 39 0.592 9.385 15.657 280 HG3 LYS 39 2HG LYS 39 -0.024 9.373 14.006 281 HD2 LYS 39 1HD LYS 39 1.494 7.550 14.132 282 HD3 LYS 39 2HD LYS 39 2.306 8.861 13.267 283 HE2 LYS 39 1HE LYS 39 3.864 7.847 14.824 284 HE3 LYS 39 2HE LYS 39 3.486 9.483 15.348 285 HZ1 LYS 39 3HZ LYS 39 3.488 7.914 17.194 286 HZ2 LYS 39 1HZ LYS 39 2.297 6.996 16.464 287 HZ3 LYS 39 2HZ LYS 39 1.949 8.548 16.998 288 H VAL 40 H VAL 40 1.014 12.923 12.508 289 HA VAL 40 HA VAL 40 2.477 15.196 13.567 290 HB VAL 40 HB VAL 40 1.970 14.467 10.669 291 HG11 VAL 40 1HG1 VAL 40 4.061 16.266 11.866 292 HG12 VAL 40 2HG1 VAL 40 2.653 16.774 10.926 293 HG13 VAL 40 3HG1 VAL 40 3.925 15.812 10.166 294 HG21 VAL 40 3HG2 VAL 40 3.101 12.659 11.773 295 HG22 VAL 40 1HG2 VAL 40 4.298 13.771 12.434 296 HG23 VAL 40 2HG2 VAL 40 4.220 13.493 10.693 297 H LYS 41 H LYS 41 1.974 17.339 13.290 298 HA LYS 41 HA LYS 41 -0.836 17.864 12.791 299 HB2 LYS 41 1HB LYS 41 1.304 19.370 14.241 300 HB3 LYS 41 2HB LYS 41 -0.172 20.190 13.713 301 HG2 LYS 41 1HG LYS 41 -0.142 17.714 15.403 302 HG3 LYS 41 2HG LYS 41 -0.148 19.355 16.066 303 HD2 LYS 41 1HD LYS 41 -2.179 19.852 14.867 304 HD3 LYS 41 2HD LYS 41 -2.186 18.253 14.147 305 HE2 LYS 41 1HE LYS 41 -2.471 17.242 16.322 306 HE3 LYS 41 2HE LYS 41 -2.356 18.827 17.089 307 HZ1 LYS 41 3HZ LYS 41 -4.338 19.511 15.966 308 HZ2 LYS 41 1HZ LYS 41 -4.675 18.107 16.832 309 HZ3 LYS 41 2HZ LYS 41 -4.471 18.049 15.148 310 H ASP 42 H ASP 42 2.284 18.857 11.564 311 HA ASP 42 HA ASP 42 1.153 20.882 9.877 312 HB2 ASP 42 1HB ASP 42 3.914 19.646 9.707 313 HB3 ASP 42 2HB ASP 42 3.344 21.023 8.772 314 H LYS 43 H LYS 43 2.942 17.954 8.921 315 HA LYS 43 HA LYS 43 2.856 16.662 7.088 316 HB2 LYS 43 1HB LYS 43 0.003 17.404 7.352 317 HB3 LYS 43 2HB LYS 43 0.527 16.496 5.924 318 HG2 LYS 43 1HG LYS 43 1.471 14.782 7.441 319 HG3 LYS 43 2HG LYS 43 0.745 15.679 8.790 320 HD2 LYS 43 1HD LYS 43 -0.882 14.749 6.449 321 HD3 LYS 43 2HD LYS 43 -0.559 13.700 7.824 322 HE2 LYS 43 1HE LYS 43 -1.823 16.428 8.028 323 HE3 LYS 43 2HE LYS 43 -2.719 14.912 7.935 324 HZ1 LYS 43 3HZ LYS 43 -2.459 15.618 10.217 325 HZ2 LYS 43 1HZ LYS 43 -0.786 15.606 10.106 326 HZ3 LYS 43 2HZ LYS 43 -1.613 14.189 9.976 327 H ALA 44 H ALA 44 3.427 19.440 6.952 328 HA ALA 44 HA ALA 44 2.731 20.188 4.242 329 HB1 ALA 44 3HB ALA 44 4.519 21.546 6.265 330 HB2 ALA 44 1HB ALA 44 2.823 21.929 5.968 331 HB3 ALA 44 2HB ALA 44 4.027 22.222 4.712 332 H GLU 45 H GLU 45 4.414 17.910 5.214 333 HA GLU 45 HA GLU 45 7.010 18.167 4.084 334 HB2 GLU 45 1HB GLU 45 5.369 15.728 4.760 335 HB3 GLU 45 2HB GLU 45 7.056 15.684 4.227 336 HG2 GLU 45 1HG GLU 45 6.010 17.029 6.695 337 HG3 GLU 45 2HG GLU 45 6.877 15.490 6.639 338 H GLU 46 H GLU 46 6.077 19.217 2.245 339 HA GLU 46 HA GLU 46 5.863 17.405 -0.048 340 HB2 GLU 46 1HB GLU 46 4.225 19.052 -0.987 341 HB3 GLU 46 2HB GLU 46 3.649 18.233 0.481 342 HG2 GLU 46 1HG GLU 46 4.232 20.175 1.817 343 HG3 GLU 46 2HG GLU 46 4.821 21.003 0.384 344 H GLU 47 H GLU 47 7.926 18.982 1.418 345 HA GLU 47 HA GLU 47 8.467 21.461 0.222 346 HB2 GLU 47 1HB GLU 47 9.342 20.941 2.372 347 HB3 GLU 47 2HB GLU 47 10.186 19.520 1.747 348 HG2 GLU 47 1HG GLU 47 11.602 20.962 0.436 349 HG3 GLU 47 2HG GLU 47 10.786 22.386 1.115 350 H THR 48 H THR 48 10.042 18.309 -0.232 351 HA THR 48 HA THR 48 11.473 19.367 -2.500 352 HB THR 48 HB THR 48 12.491 17.722 -0.844 353 HG1 THR 48 HG1 THR 48 13.498 17.993 -2.796 354 HG21 THR 48 3HG2 THR 48 10.732 15.766 -2.324 355 HG22 THR 48 1HG2 THR 48 10.608 16.184 -0.617 356 HG23 THR 48 2HG2 THR 48 12.028 15.320 -1.217 357 H GLU 49 H GLU 49 8.444 18.224 -2.014 358 HA GLU 49 HA GLU 49 6.767 17.347 -3.173 359 HB2 GLU 49 1HB GLU 49 8.258 18.578 -5.473 360 HB3 GLU 49 2HB GLU 49 6.591 17.985 -5.572 361 HG2 GLU 49 1HG GLU 49 5.923 19.604 -3.878 362 HG3 GLU 49 2HG GLU 49 7.580 20.185 -3.772 363 H GLU 50 H GLU 50 7.726 15.415 -2.471 364 HA GLU 50 HA GLU 50 8.885 13.781 -4.549 365 HB2 GLU 50 1HB GLU 50 9.274 12.132 -2.782 366 HB3 GLU 50 2HB GLU 50 9.969 13.682 -2.358 367 HG2 GLU 50 1HG GLU 50 7.301 12.746 -1.304 368 HG3 GLU 50 2HG GLU 50 8.823 12.371 -0.511 369 H LYS 51 H LYS 51 7.834 12.178 -5.512 370 HA LYS 51 HA LYS 51 5.181 11.534 -4.544 371 HB2 LYS 51 1HB LYS 51 6.211 11.193 -7.385 372 HB3 LYS 51 2HB LYS 51 4.570 10.905 -6.810 373 HG2 LYS 51 1HG LYS 51 4.263 12.961 -7.802 374 HG3 LYS 51 2HG LYS 51 4.714 13.421 -6.155 375 HD2 LYS 51 1HD LYS 51 5.923 14.819 -7.707 376 HD3 LYS 51 2HD LYS 51 7.045 13.730 -6.892 377 HE2 LYS 51 1HE LYS 51 7.054 12.252 -8.858 378 HE3 LYS 51 2HE LYS 51 5.891 13.304 -9.652 379 HZ1 LYS 51 3HZ LYS 51 8.646 14.074 -8.859 380 HZ2 LYS 51 1HZ LYS 51 7.544 15.062 -9.677 381 HZ3 LYS 51 2HZ LYS 51 8.143 13.667 -10.405 382 HA PRO 52 HA PRO 52 8.069 8.127 -3.743 383 HB2 PRO 52 1HB PRO 52 6.789 7.200 -1.544 384 HB3 PRO 52 2HB PRO 52 7.793 8.684 -1.535 385 HG2 PRO 52 1HG PRO 52 4.825 8.404 -1.791 386 HG3 PRO 52 2HG PRO 52 5.749 9.417 -0.662 387 HD2 PRO 52 1HD PRO 52 4.762 10.427 -2.942 388 HD3 PRO 52 2HD PRO 52 6.347 10.914 -2.284 389 H SER 53 H SER 53 7.664 5.689 -3.492 390 HA SER 53 HA SER 53 5.778 4.910 -5.395 391 HG SER 53 HG SER 53 8.695 3.557 -3.357 392 HB2 SER 53 1HB SER 53 6.521 2.628 -4.647 393 HB3 SER 53 2HB SER 53 7.833 3.673 -5.219 394 H VAL 54 H VAL 54 3.963 3.814 -5.013 395 HA VAL 54 HA VAL 54 2.990 3.962 -2.229 396 HB VAL 54 HB VAL 54 1.256 4.505 -4.667 397 HG11 VAL 54 1HG1 VAL 54 0.604 4.633 -1.723 398 HG12 VAL 54 2HG1 VAL 54 0.113 3.342 -2.809 399 HG13 VAL 54 3HG1 VAL 54 -0.504 4.978 -3.058 400 HG21 VAL 54 3HG2 VAL 54 1.108 6.757 -3.830 401 HG22 VAL 54 1HG2 VAL 54 2.802 6.339 -4.102 402 HG23 VAL 54 2HG2 VAL 54 2.158 6.362 -2.459 403 H TRP 55 H TRP 55 2.594 2.259 -1.447 404 HA TRP 55 HA TRP 55 2.133 -0.072 -3.138 405 HD1 TRP 55 HD1 TRP 55 5.134 1.835 -1.514 406 HE1 TRP 55 HE1 TRP 55 7.268 1.407 -2.839 407 HE3 TRP 55 HE3 TRP 55 4.257 -3.005 -2.879 408 HZ2 TRP 55 HZ2 TRP 55 8.469 -0.731 -4.266 409 HZ3 TRP 55 HZ3 TRP 55 5.958 -4.177 -4.220 410 HH2 TRP 55 HH2 TRP 55 8.019 -3.057 -4.899 411 HB2 TRP 55 1HB TRP 55 3.363 0.045 -0.372 412 HB3 TRP 55 2HB TRP 55 3.094 -1.431 -1.311 413 H LEU 56 H LEU 56 0.428 -1.067 -2.954 414 HA LEU 56 HA LEU 56 -1.527 -0.255 -0.930 415 HG LEU 56 HG LEU 56 -3.567 -2.006 -1.468 416 HB2 LEU 56 1HB LEU 56 -2.364 0.083 -3.093 417 HB3 LEU 56 2HB LEU 56 -1.989 -1.556 -3.617 418 HD11 LEU 56 1HD1 LEU 56 -5.530 -0.585 -1.628 419 HD12 LEU 56 2HD1 LEU 56 -4.629 0.493 -2.693 420 HD13 LEU 56 3HD1 LEU 56 -4.091 0.238 -1.036 421 HD21 LEU 56 3HD2 LEU 56 -4.319 -1.662 -4.318 422 HD22 LEU 56 1HD2 LEU 56 -5.354 -2.435 -3.083 423 HD23 LEU 56 2HD2 LEU 56 -3.767 -3.121 -3.456 424 H CYS 57 H CYS 57 -2.055 -1.585 0.562 425 HA CYS 57 HA CYS 57 -1.046 -4.255 0.943 426 HB2 CYS 57 1HB CYS 57 -1.781 -2.493 2.623 427 HB3 CYS 57 2HB CYS 57 -3.425 -2.965 2.236 428 H LEU 58 H LEU 58 -1.702 -5.961 -0.404 429 HA LEU 58 HA LEU 58 -4.159 -6.007 -1.821 430 HG LEU 58 HG LEU 58 -1.911 -5.892 -3.033 431 HB2 LEU 58 1HB LEU 58 -1.890 -7.848 -1.207 432 HB3 LEU 58 2HB LEU 58 -3.277 -8.382 -2.142 433 HD11 LEU 58 1HD1 LEU 58 -0.910 -8.691 -3.574 434 HD12 LEU 58 2HD1 LEU 58 -0.084 -7.448 -2.606 435 HD13 LEU 58 3HD1 LEU 58 -0.373 -7.177 -4.326 436 HD21 LEU 58 3HD2 LEU 58 -3.944 -6.685 -4.086 437 HD22 LEU 58 1HD2 LEU 58 -3.174 -8.255 -4.341 438 HD23 LEU 58 2HD2 LEU 58 -2.553 -6.835 -5.180 439 H LYS 59 H LYS 59 -3.385 -6.449 1.135 440 HA LYS 59 HA LYS 59 -5.252 -8.528 1.812 441 HB2 LYS 59 1HB LYS 59 -3.252 -8.693 2.937 442 HB3 LYS 59 2HB LYS 59 -3.207 -7.015 3.448 443 HG2 LYS 59 1HG LYS 59 -3.773 -8.286 5.347 444 HG3 LYS 59 2HG LYS 59 -5.228 -7.494 4.694 445 HD2 LYS 59 1HD LYS 59 -6.130 -9.410 3.900 446 HD3 LYS 59 2HD LYS 59 -4.609 -10.289 3.808 447 HE2 LYS 59 1HE LYS 59 -4.572 -10.274 6.287 448 HE3 LYS 59 2HE LYS 59 -6.205 -9.583 6.263 449 HZ1 LYS 59 3HZ LYS 59 -6.962 -11.535 5.052 450 HZ2 LYS 59 1HZ LYS 59 -6.237 -12.044 6.480 451 HZ3 LYS 59 2HZ LYS 59 -5.407 -12.151 5.026 452 H CYS 60 H CYS 60 -4.944 -5.042 2.414 453 HA CYS 60 HA CYS 60 -7.799 -5.119 3.238 454 HB2 CYS 60 1HB CYS 60 -7.486 -3.785 5.156 455 HB3 CYS 60 2HB CYS 60 -6.251 -5.063 5.179 456 H GLY 61 H GLY 61 -5.738 -3.646 1.149 457 HA2 GLY 61 1HA GLY 61 -6.294 -1.990 -0.328 458 HA3 GLY 61 2HA GLY 61 -7.758 -1.656 0.609 459 H HIS 62 H HIS 62 -5.021 -1.729 2.518 460 HA HIS 62 HA HIS 62 -4.854 1.100 3.097 461 HD1 HIS 62 HD1 HIS 62 -2.550 1.791 5.778 462 HD2 HIS 62 HD2 HIS 62 -0.663 -0.497 2.854 463 HE1 HIS 62 HE1 HIS 62 -0.149 2.594 5.616 464 HB2 HIS 62 1HB HIS 62 -4.011 -0.198 4.858 465 HB3 HIS 62 2HB HIS 62 -3.213 -1.338 3.779 466 H GLN 63 H GLN 63 -3.959 2.609 2.182 467 HA GLN 63 HA GLN 63 -2.121 1.958 0.069 468 HB2 GLN 63 1HB GLN 63 -4.212 3.663 -0.061 469 HB3 GLN 63 2HB GLN 63 -2.901 4.766 0.373 470 HG2 GLN 63 1HG GLN 63 -2.650 4.883 -1.849 471 HG3 GLN 63 2HG GLN 63 -1.675 3.446 -1.512 472 HE21 GLN 63 1HE2 GLN 63 -5.112 3.846 -1.638 473 HE22 GLN 63 2HE2 GLN 63 -5.297 2.592 -2.843 474 H GLY 64 H GLY 64 -0.095 2.228 0.656 475 HA2 GLY 64 1HA GLY 64 0.763 4.258 2.615 476 HA3 GLY 64 2HA GLY 64 1.320 2.588 2.626 477 H CYS 65 H CYS 65 2.843 4.871 2.491 478 HA CYS 65 HA CYS 65 3.737 4.953 -0.237 479 HB2 CYS 65 1HB CYS 65 5.121 6.929 0.542 480 HB3 CYS 65 2HB CYS 65 3.379 7.109 0.745 481 H GLY 66 H GLY 66 5.751 4.344 -0.852 482 HA2 GLY 66 1HA GLY 66 6.680 2.056 0.562 483 HA3 GLY 66 2HA GLY 66 7.209 2.627 -1.017 484 H ARG 67 H ARG 67 9.297 2.270 -0.716 485 HA ARG 67 HA ARG 67 10.539 2.816 1.792 486 HE ARG 67 HE ARG 67 14.127 0.679 -0.282 487 HB2 ARG 67 1HB ARG 67 12.467 1.696 0.935 488 HB3 ARG 67 2HB ARG 67 11.038 0.804 0.423 489 HG2 ARG 67 1HG ARG 67 11.194 2.189 -1.698 490 HG3 ARG 67 2HG ARG 67 12.803 2.583 -1.064 491 HD2 ARG 67 1HD ARG 67 11.859 -0.247 -1.576 492 HD3 ARG 67 2HD ARG 67 12.805 0.676 -2.734 493 HH11 ARG 67 1HH1 ARG 67 13.289 -1.595 -2.887 494 HH12 ARG 67 2HH1 ARG 67 14.658 -2.572 -2.668 495 HH21 ARG 67 1HH2 ARG 67 15.992 -0.712 0.029 496 HH22 ARG 67 2HH2 ARG 67 16.227 -2.078 -0.944 497 H ASN 68 H ASN 68 10.199 4.564 -1.088 498 HA ASN 68 HA ASN 68 12.520 6.178 -0.515 499 HB2 ASN 68 1HB ASN 68 11.798 7.442 -2.384 500 HB3 ASN 68 2HB ASN 68 12.382 5.816 -2.856 501 HD21 ASN 68 1HD2 ASN 68 10.941 7.524 -4.503 502 HD22 ASN 68 2HD2 ASN 68 9.378 6.862 -4.824 503 H SER 69 H SER 69 9.928 6.066 0.865 504 HA SER 69 HA SER 69 9.352 8.912 0.854 505 HG SER 69 HG SER 69 7.930 5.675 2.036 506 HB2 SER 69 1HB SER 69 7.354 8.435 2.124 507 HB3 SER 69 2HB SER 69 7.394 7.361 0.714 508 H GLN 70 H GLN 70 9.207 9.875 3.139 509 HA GLN 70 HA GLN 70 11.487 9.031 4.602 510 HB2 GLN 70 1HB GLN 70 10.963 10.933 6.115 511 HB3 GLN 70 2HB GLN 70 11.150 11.294 4.393 512 HG2 GLN 70 1HG GLN 70 8.785 11.589 4.150 513 HG3 GLN 70 2HG GLN 70 8.520 11.083 5.819 514 HE21 GLN 70 1HE2 GLN 70 8.010 13.641 4.352 515 HE22 GLN 70 2HE2 GLN 70 8.789 14.847 5.344 516 H GLU 71 H GLU 71 8.125 8.725 5.059 517 HA GLU 71 HA GLU 71 8.439 7.714 7.779 518 HB2 GLU 71 1HB GLU 71 6.108 8.229 6.046 519 HB3 GLU 71 2HB GLU 71 5.934 7.134 7.418 520 HG2 GLU 71 1HG GLU 71 6.876 9.980 7.550 521 HG3 GLU 71 2HG GLU 71 5.248 9.376 7.932 522 H GLN 72 H GLN 72 7.841 6.412 4.591 523 HA GLN 72 HA GLN 72 7.558 4.355 3.808 524 HB2 GLN 72 1HB GLN 72 9.424 3.779 6.125 525 HB3 GLN 72 2HB GLN 72 9.038 2.525 4.945 526 HG2 GLN 72 1HG GLN 72 9.869 4.013 3.175 527 HG3 GLN 72 2HG GLN 72 10.381 5.134 4.424 528 HE21 GLN 72 1HE2 GLN 72 10.847 1.948 3.206 529 HE22 GLN 72 2HE2 GLN 72 12.491 2.005 3.702 530 H HIS 73 H HIS 73 5.318 5.088 4.856 531 HA HIS 73 HA HIS 73 4.332 3.936 7.092 532 HD2 HIS 73 HD2 HIS 73 3.482 5.721 8.546 533 HE1 HIS 73 HE1 HIS 73 2.438 9.281 6.441 534 HE2 HIS 73 HE2 HIS 73 3.004 8.266 8.803 535 HB2 HIS 73 1HB HIS 73 3.204 5.120 4.630 536 HB3 HIS 73 2HB HIS 73 2.154 4.357 5.811 537 H ALA 74 H ALA 74 4.484 2.632 3.844 538 HA ALA 74 HA ALA 74 2.725 0.350 4.262 539 HB1 ALA 74 3HB ALA 74 3.764 -0.555 2.262 540 HB2 ALA 74 1HB ALA 74 5.061 0.636 2.360 541 HB3 ALA 74 2HB ALA 74 3.415 1.155 2.005 542 H LEU 75 H LEU 75 6.097 0.927 4.859 543 HA LEU 75 HA LEU 75 6.746 -1.795 5.493 544 HG LEU 75 HG LEU 75 9.932 0.187 4.562 545 HB2 LEU 75 1HB LEU 75 8.142 0.840 6.060 546 HB3 LEU 75 2HB LEU 75 8.799 -0.724 6.523 547 HD11 LEU 75 1HD1 LEU 75 8.282 -2.219 3.922 548 HD12 LEU 75 2HD1 LEU 75 9.836 -2.170 4.773 549 HD13 LEU 75 3HD1 LEU 75 9.740 -1.696 3.072 550 HD21 LEU 75 3HD2 LEU 75 8.831 0.396 2.389 551 HD22 LEU 75 1HD2 LEU 75 8.095 1.505 3.546 552 HD23 LEU 75 2HD2 LEU 75 7.280 0.004 3.125 553 H LYS 76 H LYS 76 6.203 1.196 7.504 554 HA LYS 76 HA LYS 76 6.089 0.049 9.933 555 HB2 LYS 76 1HB LYS 76 4.299 2.193 8.832 556 HB3 LYS 76 2HB LYS 76 4.675 1.894 10.533 557 HG2 LYS 76 1HG LYS 76 6.946 2.533 10.193 558 HG3 LYS 76 2HG LYS 76 6.692 2.671 8.443 559 HD2 LYS 76 1HD LYS 76 6.658 4.841 9.357 560 HD3 LYS 76 2HD LYS 76 5.002 4.424 8.902 561 HE2 LYS 76 1HE LYS 76 4.531 3.822 11.247 562 HE3 LYS 76 2HE LYS 76 6.159 4.368 11.689 563 HZ1 LYS 76 3HZ LYS 76 4.674 6.128 12.139 564 HZ2 LYS 76 1HZ LYS 76 3.924 6.005 10.635 565 HZ3 LYS 76 2HZ LYS 76 5.490 6.575 10.738 566 H HIS 77 H HIS 77 3.628 -0.000 7.403 567 HA HIS 77 HA HIS 77 1.538 -0.809 9.103 568 HD1 HIS 77 HD1 HIS 77 -1.168 -0.091 8.241 569 HD2 HIS 77 HD2 HIS 77 -0.072 -3.018 5.492 570 HE1 HIS 77 HE1 HIS 77 -3.261 -1.323 7.679 571 HB2 HIS 77 1HB HIS 77 1.153 0.297 6.970 572 HB3 HIS 77 2HB HIS 77 1.801 -1.098 6.094 573 H TYR 78 H TYR 78 3.895 -2.451 7.140 574 HA TYR 78 HA TYR 78 2.970 -5.058 7.661 575 HD1 TYR 78 HD2 TYR 78 3.843 -7.276 7.012 576 HD2 TYR 78 HD1 TYR 78 7.555 -5.202 7.284 577 HE1 TYR 78 HE2 TYR 78 4.997 -9.405 7.460 578 HE2 TYR 78 HE1 TYR 78 8.712 -7.318 7.732 579 HH TYR 78 HH TYR 78 8.237 -9.495 8.570 580 HB2 TYR 78 1HB TYR 78 4.421 -4.794 5.908 581 HB3 TYR 78 2HB TYR 78 5.648 -3.960 6.872 582 H LEU 79 H LEU 79 5.230 -2.839 9.473 583 HA LEU 79 HA LEU 79 5.933 -4.873 11.273 584 HG LEU 79 HG LEU 79 7.495 -2.668 9.471 585 HB2 LEU 79 1HB LEU 79 6.268 -1.880 11.371 586 HB3 LEU 79 2HB LEU 79 7.069 -3.045 12.426 587 HD11 LEU 79 1HD1 LEU 79 9.766 -2.060 10.133 588 HD12 LEU 79 2HD1 LEU 79 9.308 -2.221 11.828 589 HD13 LEU 79 3HD1 LEU 79 8.561 -0.975 10.826 590 HD21 LEU 79 3HD2 LEU 79 7.548 -4.993 10.044 591 HD22 LEU 79 1HD2 LEU 79 8.702 -4.694 11.342 592 HD23 LEU 79 2HD2 LEU 79 9.178 -4.424 9.653 593 H THR 80 H THR 80 3.276 -3.130 10.792 594 HA THR 80 HA THR 80 2.502 -2.422 13.450 595 HB THR 80 HB THR 80 0.838 -2.926 10.959 596 HG1 THR 80 HG1 THR 80 2.301 -1.111 11.033 597 HG21 THR 80 3HG2 THR 80 -0.081 -1.683 13.566 598 HG22 THR 80 1HG2 THR 80 -0.582 -3.256 12.938 599 HG23 THR 80 2HG2 THR 80 -1.020 -1.779 12.077 600 HA PRO 81 HA PRO 81 1.696 -6.638 14.771 601 HB2 PRO 81 1HB PRO 81 0.329 -6.220 17.048 602 HB3 PRO 81 2HB PRO 81 2.081 -5.975 16.867 603 HG2 PRO 81 1HG PRO 81 -0.117 -3.939 16.865 604 HG3 PRO 81 2HG PRO 81 1.518 -3.919 17.582 605 HD2 PRO 81 1HD PRO 81 0.865 -2.680 15.220 606 HD3 PRO 81 2HD PRO 81 2.503 -3.211 15.671 607 H ARG 82 H ARG 82 0.459 -6.661 13.080 608 HA ARG 82 HA ARG 82 -2.443 -6.741 13.296 609 HE ARG 82 HE ARG 82 0.455 -9.135 12.363 610 HB2 ARG 82 1HB ARG 82 -2.152 -7.784 10.842 611 HB3 ARG 82 2HB ARG 82 -2.145 -6.055 11.173 612 HG2 ARG 82 1HG ARG 82 -0.400 -6.525 9.608 613 HG3 ARG 82 2HG ARG 82 0.344 -6.125 11.151 614 HD2 ARG 82 1HD ARG 82 -0.011 -8.941 10.096 615 HD3 ARG 82 2HD ARG 82 1.447 -7.973 9.859 616 HH11 ARG 82 1HH1 ARG 82 3.116 -7.364 10.718 617 HH12 ARG 82 2HH1 ARG 82 4.276 -7.847 11.835 618 HH21 ARG 82 1HH2 ARG 82 2.120 -9.733 13.898 619 HH22 ARG 82 2HH2 ARG 82 3.700 -9.171 13.717 620 H SER 83 H SER 83 -3.797 -8.547 12.932 621 HA SER 83 HA SER 83 -2.880 -10.846 14.336 622 HG SER 83 HG SER 83 -5.242 -10.106 15.604 623 HB2 SER 83 1HB SER 83 -5.477 -10.411 12.856 624 HB3 SER 83 2HB SER 83 -5.172 -11.595 14.126 625 H GLU 84 H GLU 84 -3.767 -10.139 10.985 626 HA GLU 84 HA GLU 84 -2.589 -12.698 10.131 627 HB2 GLU 84 1HB GLU 84 -4.617 -10.919 8.795 628 HB3 GLU 84 2HB GLU 84 -3.877 -12.340 8.058 629 HG2 GLU 84 1HG GLU 84 -4.894 -13.766 9.741 630 HG3 GLU 84 2HG GLU 84 -5.649 -12.357 10.494 631 HA PRO 85 HA PRO 85 0.438 -10.293 8.324 632 HB2 PRO 85 1HB PRO 85 1.325 -11.653 6.244 633 HB3 PRO 85 2HB PRO 85 1.483 -12.256 7.913 634 HG2 PRO 85 1HG PRO 85 -0.583 -12.901 5.857 635 HG3 PRO 85 2HG PRO 85 0.411 -14.019 6.820 636 HD2 PRO 85 1HD PRO 85 -2.143 -13.319 7.522 637 HD3 PRO 85 2HD PRO 85 -0.896 -13.663 8.746 638 H HIS 86 H HIS 86 -0.525 -8.606 7.742 639 HA HIS 86 HA HIS 86 -1.682 -8.106 5.115 640 HD2 HIS 86 HD2 HIS 86 -2.908 -8.356 8.273 641 HE1 HIS 86 HE1 HIS 86 -5.691 -5.302 7.392 642 HE2 HIS 86 HE2 HIS 86 -5.294 -7.468 8.685 643 HB2 HIS 86 1HB HIS 86 -0.725 -6.311 7.335 644 HB3 HIS 86 2HB HIS 86 -1.339 -5.674 5.805 645 H CYS 87 H CYS 87 0.578 -9.401 4.707 646 HA CYS 87 HA CYS 87 2.752 -7.570 4.732 647 HG CYS 87 HG CYS 87 1.413 -10.958 3.343 648 HB2 CYS 87 1HB CYS 87 4.105 -9.587 4.022 649 HB3 CYS 87 2HB CYS 87 3.387 -9.517 5.638 650 H LEU 88 H LEU 88 0.474 -8.001 2.635 651 HA LEU 88 HA LEU 88 2.099 -8.280 0.194 652 HG LEU 88 HG LEU 88 0.536 -10.816 1.394 653 HB2 LEU 88 1HB LEU 88 -0.656 -9.148 0.848 654 HB3 LEU 88 2HB LEU 88 -0.176 -9.075 -0.819 655 HD11 LEU 88 1HD1 LEU 88 0.058 -11.315 -1.526 656 HD12 LEU 88 2HD1 LEU 88 -1.058 -11.740 -0.188 657 HD13 LEU 88 3HD1 LEU 88 0.530 -12.549 -0.378 658 HD21 LEU 88 3HD2 LEU 88 2.465 -11.778 0.155 659 HD22 LEU 88 1HD2 LEU 88 2.663 -10.158 0.831 660 HD23 LEU 88 2HD2 LEU 88 2.355 -10.350 -0.897 661 H VAL 89 H VAL 89 2.532 -6.782 -0.707 662 HA VAL 89 HA VAL 89 0.442 -4.775 -0.956 663 HB VAL 89 HB VAL 89 2.119 -2.988 -0.871 664 HG11 VAL 89 1HG1 VAL 89 2.604 -3.012 1.533 665 HG12 VAL 89 2HG1 VAL 89 2.108 -4.706 1.589 666 HG13 VAL 89 3HG1 VAL 89 0.927 -3.450 1.177 667 HG21 VAL 89 3HG2 VAL 89 3.977 -4.383 -1.551 668 HG22 VAL 89 1HG2 VAL 89 4.054 -5.100 0.051 669 HG23 VAL 89 2HG2 VAL 89 4.390 -3.363 -0.157 670 H LEU 90 H LEU 90 0.272 -3.997 -2.930 671 HA LEU 90 HA LEU 90 2.229 -4.938 -4.859 672 HG LEU 90 HG LEU 90 -0.899 -3.038 -4.812 673 HB2 LEU 90 1HB LEU 90 0.570 -4.882 -6.540 674 HB3 LEU 90 2HB LEU 90 -0.254 -5.516 -5.126 675 HD11 LEU 90 1HD1 LEU 90 0.355 -2.183 -6.670 676 HD12 LEU 90 2HD1 LEU 90 -1.373 -1.974 -7.038 677 HD13 LEU 90 3HD1 LEU 90 -0.441 -3.311 -7.752 678 HD21 LEU 90 3HD2 LEU 90 -2.235 -4.884 -6.777 679 HD22 LEU 90 1HD2 LEU 90 -2.989 -3.449 -6.078 680 HD23 LEU 90 2HD2 LEU 90 -2.517 -4.782 -5.032 681 H SER 91 H SER 91 3.033 -3.369 -6.358 682 HA SER 91 HA SER 91 3.200 -0.748 -5.148 683 HG SER 91 HG SER 91 3.703 -2.076 -8.111 684 HB2 SER 91 1HB SER 91 5.170 -0.516 -6.502 685 HB3 SER 91 2HB SER 91 5.122 -2.227 -6.031 686 H LEU 92 H LEU 92 2.164 0.985 -6.029 687 HA LEU 92 HA LEU 92 0.536 0.715 -8.407 688 HG LEU 92 HG LEU 92 -0.533 1.083 -5.798 689 HB2 LEU 92 1HB LEU 92 1.139 2.855 -6.427 690 HB3 LEU 92 2HB LEU 92 0.155 3.214 -7.836 691 HD11 LEU 92 1HD1 LEU 92 -0.464 3.354 -4.848 692 HD12 LEU 92 2HD1 LEU 92 -2.074 2.644 -4.944 693 HD13 LEU 92 3HD1 LEU 92 -1.581 3.861 -6.128 694 HD21 LEU 92 3HD2 LEU 92 -2.691 1.245 -6.766 695 HD22 LEU 92 1HD2 LEU 92 -1.515 0.874 -8.051 696 HD23 LEU 92 2HD2 LEU 92 -2.111 2.542 -7.828 697 H ASP 93 H ASP 93 3.583 0.807 -8.175 698 HA ASP 93 HA ASP 93 4.099 3.036 -9.985 699 HB2 ASP 93 1HB ASP 93 5.776 1.791 -7.843 700 HB3 ASP 93 2HB ASP 93 6.499 2.753 -9.139 701 H ASN 94 H ASN 94 5.447 -0.178 -9.200 702 HA ASN 94 HA ASN 94 6.220 -0.347 -12.037 703 HB2 ASN 94 1HB ASN 94 7.930 -0.688 -10.171 704 HB3 ASN 94 2HB ASN 94 7.069 -2.189 -9.794 705 HD21 ASN 94 1HD2 ASN 94 8.687 -3.554 -10.329 706 HD22 ASN 94 2HD2 ASN 94 9.294 -3.749 -11.949 707 H TRP 95 H TRP 95 3.841 -1.153 -9.997 708 HA TRP 95 HA TRP 95 2.239 -2.662 -9.752 709 HD1 TRP 95 HD1 TRP 95 2.287 -0.766 -13.655 710 HE1 TRP 95 HE1 TRP 95 0.355 0.909 -13.434 711 HE3 TRP 95 HE3 TRP 95 -0.369 -3.026 -9.924 712 HZ2 TRP 95 HZ2 TRP 95 -1.947 1.277 -11.871 713 HZ3 TRP 95 HZ3 TRP 95 -2.426 -1.934 -9.119 714 HH2 TRP 95 HH2 TRP 95 -3.193 0.169 -10.073 715 HB2 TRP 95 1HB TRP 95 2.786 -3.114 -12.687 716 HB3 TRP 95 2HB TRP 95 1.461 -3.897 -11.825 717 H SER 96 H SER 96 4.657 -3.474 -8.705 718 HA SER 96 HA SER 96 4.774 -6.272 -9.402 719 HG SER 96 HG SER 96 7.883 -5.371 -9.298 720 HB2 SER 96 1HB SER 96 6.357 -4.772 -7.342 721 HB3 SER 96 2HB SER 96 6.687 -6.352 -8.027 722 H VAL 97 H VAL 97 4.864 -7.688 -7.485 723 HA VAL 97 HA VAL 97 3.202 -6.668 -5.300 724 HB VAL 97 HB VAL 97 3.339 -9.408 -6.579 725 HG11 VAL 97 1HG1 VAL 97 3.622 -9.663 -4.193 726 HG12 VAL 97 2HG1 VAL 97 2.012 -10.205 -4.784 727 HG13 VAL 97 3HG1 VAL 97 2.186 -8.640 -3.939 728 HG21 VAL 97 3HG2 VAL 97 1.116 -9.252 -6.710 729 HG22 VAL 97 1HG2 VAL 97 1.666 -7.661 -7.247 730 HG23 VAL 97 2HG2 VAL 97 0.998 -7.863 -5.612 731 H TRP 98 H TRP 98 3.972 -7.020 -3.253 732 HA TRP 98 HA TRP 98 6.594 -8.281 -3.092 733 HD1 TRP 98 HD1 TRP 98 7.287 -6.812 0.679 734 HE1 TRP 98 HE1 TRP 98 9.797 -7.422 0.961 735 HE3 TRP 98 HE3 TRP 98 8.770 -6.556 -4.210 736 HZ2 TRP 98 HZ2 TRP 98 11.972 -7.752 -0.611 737 HZ3 TRP 98 HZ3 TRP 98 11.104 -7.026 -4.753 738 HH2 TRP 98 HH2 TRP 98 12.714 -7.608 -2.993 739 HB2 TRP 98 1HB TRP 98 6.652 -5.646 -2.871 740 HB3 TRP 98 2HB TRP 98 5.852 -5.963 -1.333 741 H CYS 99 H CYS 99 6.811 -9.740 -1.454 742 HA CYS 99 HA CYS 99 4.598 -9.785 0.421 743 HB2 CYS 99 1HB CYS 99 4.426 -11.832 -0.777 744 HB3 CYS 99 2HB CYS 99 6.156 -12.161 -0.764 745 H TYR 100 H TYR 100 5.264 -9.010 2.216 746 HA TYR 100 HA TYR 100 8.002 -8.443 2.646 747 HD1 TYR 100 HD2 TYR 100 8.363 -6.086 3.231 748 HD2 TYR 100 HD1 TYR 100 4.258 -6.795 3.890 749 HE1 TYR 100 HE2 TYR 100 7.882 -3.814 2.418 750 HE2 TYR 100 HE1 TYR 100 3.719 -4.496 3.073 751 HH TYR 100 HH TYR 100 5.966 -2.590 1.426 752 HB2 TYR 100 1HB TYR 100 5.689 -8.339 4.520 753 HB3 TYR 100 2HB TYR 100 7.323 -7.846 4.945 754 H VAL 101 H VAL 101 6.020 -11.089 3.629 755 HA VAL 101 HA VAL 101 7.856 -11.891 5.706 756 HB VAL 101 HB VAL 101 5.489 -12.206 6.091 757 HG11 VAL 101 1HG1 VAL 101 4.747 -12.457 3.894 758 HG12 VAL 101 2HG1 VAL 101 4.206 -13.891 4.802 759 HG13 VAL 101 3HG1 VAL 101 5.614 -13.960 3.714 760 HG21 VAL 101 3HG2 VAL 101 5.404 -14.562 6.779 761 HG22 VAL 101 1HG2 VAL 101 6.947 -13.821 7.203 762 HG23 VAL 101 2HG2 VAL 101 6.836 -14.885 5.805 763 H CYS 102 H CYS 102 7.452 -12.571 2.320 764 HA CYS 102 HA CYS 102 9.264 -14.865 2.449 765 HB2 CYS 102 1HB CYS 102 7.770 -13.416 0.284 766 HB3 CYS 102 2HB CYS 102 9.150 -14.438 -0.107 767 H ASP 103 H ASP 103 8.880 -11.564 1.765 768 HA ASP 103 HA ASP 103 9.965 -9.903 1.116 769 HB2 ASP 103 1HB ASP 103 11.189 -10.319 3.287 770 HB3 ASP 103 2HB ASP 103 12.508 -10.993 2.305 771 H ASN 104 H ASN 104 9.434 -10.868 -0.918 772 HA ASN 104 HA ASN 104 11.626 -10.379 -2.616 773 HB2 ASN 104 1HB ASN 104 11.420 -12.420 -3.859 774 HB3 ASN 104 2HB ASN 104 11.591 -12.885 -2.142 775 HD21 ASN 104 1HD2 ASN 104 9.436 -12.583 -4.777 776 HD22 ASN 104 2HD2 ASN 104 8.063 -13.259 -4.019 777 H GLU 105 H GLU 105 10.534 -10.561 -4.893 778 HA GLU 105 HA GLU 105 8.086 -9.047 -4.831 779 HB2 GLU 105 1HB GLU 105 10.105 -8.532 -5.973 780 HB3 GLU 105 2HB GLU 105 9.860 -9.916 -7.035 781 HG2 GLU 105 1HG GLU 105 7.822 -9.082 -7.825 782 HG3 GLU 105 2HG GLU 105 7.921 -7.707 -6.710 783 H VAL 106 H VAL 106 6.147 -9.991 -5.735 784 HA VAL 106 HA VAL 106 6.348 -12.857 -6.419 785 HB VAL 106 HB VAL 106 3.791 -11.413 -5.668 786 HG11 VAL 106 1HG1 VAL 106 4.544 -14.347 -5.729 787 HG12 VAL 106 2HG1 VAL 106 3.496 -13.513 -6.874 788 HG13 VAL 106 3HG1 VAL 106 2.994 -13.695 -5.196 789 HG21 VAL 106 3HG2 VAL 106 5.419 -11.241 -3.852 790 HG22 VAL 106 1HG2 VAL 106 5.672 -12.981 -3.900 791 HG23 VAL 106 2HG2 VAL 106 4.098 -12.335 -3.406 792 H GLN 107 H GLN 107 5.889 -13.623 -8.347 793 HA GLN 107 HA GLN 107 4.935 -11.885 -10.430 794 HB2 GLN 107 1HB GLN 107 6.162 -14.651 -10.513 795 HB3 GLN 107 2HB GLN 107 5.659 -13.718 -11.922 796 HG2 GLN 107 1HG GLN 107 8.024 -13.614 -11.781 797 HG3 GLN 107 2HG GLN 107 7.366 -12.050 -11.268 798 HE21 GLN 107 1HE2 GLN 107 7.774 -11.329 -9.306 799 HE22 GLN 107 2HE2 GLN 107 8.741 -12.163 -8.131 800 H TYR 108 H TYR 108 2.958 -12.003 -10.588 801 HA TYR 108 HA TYR 108 1.395 -14.470 -10.100 802 HD1 TYR 108 HD2 TYR 108 -0.618 -11.172 -11.847 803 HD2 TYR 108 HD1 TYR 108 1.833 -10.837 -8.427 804 HE1 TYR 108 HE2 TYR 108 -0.309 -8.780 -12.323 805 HE2 TYR 108 HE1 TYR 108 2.177 -8.540 -8.801 806 HH TYR 108 HH TYR 108 2.032 -6.852 -10.753 807 HB2 TYR 108 1HB TYR 108 -0.573 -12.892 -10.111 808 HB3 TYR 108 2HB TYR 108 0.555 -12.759 -8.755 809 H CYS 109 H CYS 109 -0.568 -14.669 -11.420 810 HA CYS 109 HA CYS 109 -0.232 -13.836 -14.190 811 HG CYS 109 HG CYS 109 -0.257 -16.716 -16.330 812 HB2 CYS 109 1HB CYS 109 0.521 -16.196 -13.954 813 HB3 CYS 109 2HB CYS 109 -1.018 -16.584 -13.173 814 H SER 110 H SER 110 -2.360 -13.722 -15.242 815 HA SER 110 HA SER 110 -4.265 -12.622 -13.494 816 HG SER 110 HG SER 110 -4.110 -10.859 -16.246 817 HB2 SER 110 1HB SER 110 -4.587 -13.357 -16.412 818 HB3 SER 110 2HB SER 110 -5.542 -12.188 -15.497 819 H SER 111 H SER 111 -3.702 -15.865 -14.382 820 HA SER 111 HA SER 111 -6.433 -16.651 -13.701 821 HG SER 111 HG SER 111 -5.626 -19.932 -14.889 822 HB2 SER 111 1HB SER 111 -5.286 -17.697 -15.688 823 HB3 SER 111 2HB SER 111 -4.106 -18.402 -14.571 824 H ASN 112 H ASN 112 -3.832 -15.792 -12.066 825 HA ASN 112 HA ASN 112 -4.180 -17.745 -9.888 826 HB2 ASN 112 1HB ASN 112 -1.824 -17.316 -10.612 827 HB3 ASN 112 2HB ASN 112 -2.072 -15.592 -10.311 828 HD21 ASN 112 1HD2 ASN 112 -1.564 -18.695 -8.899 829 HD22 ASN 112 2HD2 ASN 112 -1.225 -18.137 -7.289 830 H GLN 113 H GLN 113 -4.882 -16.874 -7.849 831 HA GLN 113 HA GLN 113 -6.790 -14.847 -8.064 832 HB2 GLN 113 1HB GLN 113 -6.708 -16.598 -6.240 833 HB3 GLN 113 2HB GLN 113 -5.429 -15.641 -5.479 834 HG2 GLN 113 1HG GLN 113 -7.107 -13.716 -5.538 835 HG3 GLN 113 2HG GLN 113 -8.342 -14.939 -5.823 836 HE21 GLN 113 1HE2 GLN 113 -5.492 -15.147 -3.736 837 HE22 GLN 113 2HE2 GLN 113 -6.418 -15.177 -2.262 838 H LEU 114 H LEU 114 -3.312 -14.586 -7.169 839 HA LEU 114 HA LEU 114 -3.472 -11.942 -6.125 840 HG LEU 114 HG LEU 114 -0.631 -11.200 -7.277 841 HB2 LEU 114 1HB LEU 114 -1.653 -13.514 -5.650 842 HB3 LEU 114 2HB LEU 114 -1.256 -13.551 -7.366 843 HD11 LEU 114 1HD1 LEU 114 -1.261 -11.421 -4.339 844 HD12 LEU 114 2HD1 LEU 114 -2.131 -10.455 -5.539 845 HD13 LEU 114 3HD1 LEU 114 -0.461 -10.057 -5.126 846 HD21 LEU 114 3HD2 LEU 114 0.950 -13.053 -6.756 847 HD22 LEU 114 1HD2 LEU 114 0.701 -12.704 -5.056 848 HD23 LEU 114 2HD2 LEU 114 1.407 -11.481 -6.129 849 H GLY 115 H GLY 115 -2.971 -13.373 -9.242 850 HA2 GLY 115 1HA GLY 115 -2.388 -10.889 -10.521 851 HA3 GLY 115 2HA GLY 115 -2.816 -12.397 -11.342 852 H GLN 116 H GLN 116 -5.385 -12.940 -10.176 853 HA GLN 116 HA GLN 116 -7.086 -11.430 -11.635 854 HB2 GLN 116 1HB GLN 116 -7.614 -12.906 -9.051 855 HB3 GLN 116 2HB GLN 116 -8.828 -12.429 -10.248 856 HG2 GLN 116 1HG GLN 116 -7.485 -13.770 -11.867 857 HG3 GLN 116 2HG GLN 116 -6.635 -14.411 -10.483 858 HE21 GLN 116 1HE2 GLN 116 -7.494 -15.959 -9.278 859 HE22 GLN 116 2HE2 GLN 116 -9.053 -16.678 -9.550 860 H VAL 117 H VAL 117 -5.954 -10.978 -8.357 861 HA VAL 117 HA VAL 117 -7.930 -9.047 -8.017 862 HB VAL 117 HB VAL 117 -5.943 -10.161 -6.087 863 HG11 VAL 117 1HG1 VAL 117 -7.482 -7.605 -5.626 864 HG12 VAL 117 2HG1 VAL 117 -5.739 -7.696 -5.876 865 HG13 VAL 117 3HG1 VAL 117 -6.469 -8.453 -4.435 866 HG21 VAL 117 3HG2 VAL 117 -8.063 -10.190 -4.770 867 HG22 VAL 117 1HG2 VAL 117 -8.066 -11.138 -6.283 868 HG23 VAL 117 2HG2 VAL 117 -8.834 -9.545 -6.205 869 H VAL 118 H VAL 118 -4.352 -8.985 -8.287 870 HA VAL 118 HA VAL 118 -4.056 -6.229 -8.268 871 HB VAL 118 HB VAL 118 -2.541 -8.261 -9.907 872 HG11 VAL 118 1HG1 VAL 118 -1.805 -5.394 -9.213 873 HG12 VAL 118 2HG1 VAL 118 -2.248 -5.986 -10.814 874 HG13 VAL 118 3HG1 VAL 118 -0.757 -6.542 -10.051 875 HG21 VAL 118 3HG2 VAL 118 -0.837 -8.062 -8.180 876 HG22 VAL 118 1HG2 VAL 118 -2.373 -8.625 -7.503 877 HG23 VAL 118 2HG2 VAL 118 -1.866 -6.935 -7.299 878 H ASP 119 H ASP 119 -5.225 -8.310 -10.813 879 HA ASP 119 HA ASP 119 -5.050 -6.366 -12.910 880 HB2 ASP 119 1HB ASP 119 -5.200 -8.827 -13.324 881 HB3 ASP 119 2HB ASP 119 -6.801 -8.815 -12.591 882 H TYR 120 H TYR 120 -7.416 -7.449 -10.629 883 HA TYR 120 HA TYR 120 -9.583 -5.830 -11.533 884 HD1 TYR 120 HD1 TYR 120 -12.108 -5.647 -10.014 885 HD2 TYR 120 HD2 TYR 120 -9.253 -6.601 -7.016 886 HE1 TYR 120 HE1 TYR 120 -13.440 -4.441 -8.347 887 HE2 TYR 120 HE2 TYR 120 -10.514 -5.437 -5.368 888 HH TYR 120 HH TYR 120 -13.729 -4.164 -6.124 889 HB2 TYR 120 1HB TYR 120 -10.382 -7.581 -10.195 890 HB3 TYR 120 2HB TYR 120 -8.998 -7.479 -9.098 891 H VAL 121 H VAL 121 -7.120 -5.421 -9.063 892 HA VAL 121 HA VAL 121 -8.152 -2.928 -8.140 893 HB VAL 121 HB VAL 121 -5.490 -4.346 -7.705 894 HG11 VAL 121 1HG1 VAL 121 -5.237 -1.977 -7.348 895 HG12 VAL 121 2HG1 VAL 121 -5.194 -2.851 -5.809 896 HG13 VAL 121 3HG1 VAL 121 -6.654 -1.985 -6.300 897 HG21 VAL 121 3HG2 VAL 121 -6.413 -4.818 -5.450 898 HG22 VAL 121 1HG2 VAL 121 -7.283 -5.604 -6.775 899 HG23 VAL 121 2HG2 VAL 121 -7.956 -4.170 -6.022 900 H ARG 122 H ARG 122 -5.873 -3.938 -10.543 901 HA ARG 122 HA ARG 122 -4.892 -1.346 -10.997 902 HE ARG 122 HE ARG 122 -2.166 -1.110 -15.147 903 HB2 ARG 122 1HB ARG 122 -3.771 -3.453 -11.786 904 HB3 ARG 122 2HB ARG 122 -5.073 -3.621 -12.964 905 HG2 ARG 122 1HG ARG 122 -4.352 -1.874 -14.248 906 HG3 ARG 122 2HG ARG 122 -3.564 -1.097 -12.862 907 HD2 ARG 122 1HD ARG 122 -1.759 -2.639 -12.932 908 HD3 ARG 122 2HD ARG 122 -2.569 -3.705 -14.088 909 HH11 ARG 122 1HH1 ARG 122 -0.301 -4.039 -14.289 910 HH12 ARG 122 2HH1 ARG 122 0.924 -3.751 -15.422 911 HH21 ARG 122 1HH2 ARG 122 -0.402 -0.736 -16.731 912 HH22 ARG 122 2HH2 ARG 122 0.898 -1.825 -16.769 913 H LYS 123 H LYS 123 -7.770 -3.145 -12.185 914 HA LYS 123 HA LYS 123 -8.632 -1.107 -13.933 915 HB2 LYS 123 1HB LYS 123 -10.238 -3.093 -12.329 916 HB3 LYS 123 2HB LYS 123 -10.815 -2.176 -13.696 917 HG2 LYS 123 1HG LYS 123 -8.641 -4.247 -13.855 918 HG3 LYS 123 2HG LYS 123 -10.361 -4.580 -14.098 919 HD2 LYS 123 1HD LYS 123 -9.614 -4.338 -16.243 920 HD3 LYS 123 2HD LYS 123 -10.197 -2.720 -15.845 921 HE2 LYS 123 1HE LYS 123 -7.932 -1.926 -15.501 922 HE3 LYS 123 2HE LYS 123 -7.293 -3.558 -15.653 923 HZ1 LYS 123 3HZ LYS 123 -8.507 -1.898 -17.806 924 HZ2 LYS 123 1HZ LYS 123 -8.052 -3.524 -17.997 925 HZ3 LYS 123 2HZ LYS 123 -6.912 -2.356 -17.646 926 H GLN 124 H GLN 124 -8.636 -1.473 -10.494 927 HA GLN 124 HA GLN 124 -10.872 0.234 -10.065 928 HB2 GLN 124 1HB GLN 124 -8.752 -0.581 -8.102 929 HB3 GLN 124 2HB GLN 124 -10.124 0.440 -7.676 930 HG2 GLN 124 1HG GLN 124 -9.997 -2.487 -8.091 931 HG3 GLN 124 2HG GLN 124 -11.007 -1.438 -7.080 932 HE21 GLN 124 1HE2 GLN 124 -10.585 -2.834 -10.097 933 HE22 GLN 124 2HE2 GLN 124 -12.170 -2.700 -10.709 934 H ALA 125 H ALA 125 -7.413 0.487 -9.739 935 HA ALA 125 HA ALA 125 -7.301 3.243 -9.013 936 HB1 ALA 125 3HB ALA 125 -5.129 1.373 -9.943 937 HB2 ALA 125 1HB ALA 125 -5.760 1.539 -8.296 938 HB3 ALA 125 2HB ALA 125 -4.944 2.910 -9.062 939 H SER 126 H SER 126 -6.874 1.472 -12.004 940 HA SER 126 HA SER 126 -6.283 3.859 -13.476 941 HG SER 126 HG SER 126 -5.416 0.783 -13.400 942 HB2 SER 126 1HB SER 126 -7.155 1.153 -14.486 943 HB3 SER 126 2HB SER 126 -6.358 2.425 -15.423 Start of MODEL 8 1 HA PRO 5 HA PRO 5 9.951 -22.116 -5.383 2 HB2 PRO 5 1HB PRO 5 7.528 -22.788 -4.281 3 HB3 PRO 5 2HB PRO 5 9.033 -23.656 -3.915 4 HG2 PRO 5 1HG PRO 5 7.635 -21.528 -2.325 5 HG3 PRO 5 2HG PRO 5 8.425 -23.020 -1.752 6 HD2 PRO 5 1HD PRO 5 9.528 -20.589 -1.581 7 HD3 PRO 5 2HD PRO 5 10.504 -22.055 -1.848 8 H VAL 6 H VAL 6 7.673 -20.089 -3.608 9 HA VAL 6 HA VAL 6 7.078 -18.284 -5.561 10 HB VAL 6 HB VAL 6 6.069 -20.407 -6.577 11 HG11 VAL 6 1HG1 VAL 6 4.222 -20.293 -4.211 12 HG12 VAL 6 2HG1 VAL 6 5.376 -21.564 -4.609 13 HG13 VAL 6 3HG1 VAL 6 3.979 -21.284 -5.650 14 HG21 VAL 6 3HG2 VAL 6 4.113 -18.263 -5.849 15 HG22 VAL 6 1HG2 VAL 6 3.955 -19.399 -7.195 16 HG23 VAL 6 2HG2 VAL 6 5.279 -18.216 -7.184 17 H CYS 7 H CYS 7 4.832 -17.233 -4.549 18 HA CYS 7 HA CYS 7 5.322 -17.394 -1.722 19 HB2 CYS 7 1HB CYS 7 5.310 -15.113 -2.697 20 HB3 CYS 7 2HB CYS 7 3.666 -15.405 -3.251 21 H ARG 8 H ARG 8 4.033 -18.295 -0.439 22 HA ARG 8 HA ARG 8 1.436 -19.377 -1.334 23 HE ARG 8 HE ARG 8 1.170 -22.695 -0.594 24 HB2 ARG 8 1HB ARG 8 3.320 -20.263 0.840 25 HB3 ARG 8 2HB ARG 8 1.745 -20.981 0.467 26 HG2 ARG 8 1HG ARG 8 4.115 -20.877 -1.377 27 HG3 ARG 8 2HG ARG 8 3.562 -22.287 -0.467 28 HD2 ARG 8 1HD ARG 8 1.982 -20.763 -2.494 29 HD3 ARG 8 2HD ARG 8 2.764 -22.316 -2.800 30 HH11 ARG 8 1HH1 ARG 8 0.602 -21.820 -3.985 31 HH12 ARG 8 2HH1 ARG 8 -0.976 -22.447 -4.020 32 HH21 ARG 8 1HH2 ARG 8 -1.026 -23.552 -0.658 33 HH22 ARG 8 2HH2 ARG 8 -1.905 -23.471 -2.107 34 H HIS 9 H HIS 9 2.414 -16.712 -0.013 35 HA HIS 9 HA HIS 9 0.901 -16.798 2.517 36 HD2 HIS 9 HD2 HIS 9 2.489 -16.679 4.728 37 HE1 HIS 9 HE1 HIS 9 6.486 -16.391 3.377 38 HE2 HIS 9 HE2 HIS 9 4.952 -17.254 5.235 39 HB2 HIS 9 1HB HIS 9 2.691 -14.674 1.342 40 HB3 HIS 9 2HB HIS 9 1.753 -14.488 2.830 41 H ILE 10 H ILE 10 0.272 -16.409 -0.549 42 HA ILE 10 HA ILE 10 -1.528 -14.142 -0.850 43 HB ILE 10 HB ILE 10 -1.739 -16.929 -1.993 44 HG12 ILE 10 1HG1 ILE 10 0.041 -14.655 -2.751 45 HG13 ILE 10 2HG1 ILE 10 0.498 -16.281 -2.310 46 HG21 ILE 10 1HG2 ILE 10 -3.652 -15.534 -2.379 47 HG22 ILE 10 2HG2 ILE 10 -2.793 -15.794 -3.895 48 HG23 ILE 10 3HG2 ILE 10 -2.650 -14.243 -3.049 49 HD11 ILE 10 3HD1 ILE 10 -0.854 -15.524 -4.884 50 HD12 ILE 10 1HD1 ILE 10 -0.483 -17.173 -4.334 51 HD13 ILE 10 2HD1 ILE 10 0.828 -16.020 -4.637 52 H ARG 11 H ARG 11 -1.915 -17.210 0.326 53 HA ARG 11 HA ARG 11 -4.624 -17.323 0.960 54 HE ARG 11 HE ARG 11 -4.260 -21.018 2.858 55 HB2 ARG 11 1HB ARG 11 -2.325 -18.348 2.618 56 HB3 ARG 11 2HB ARG 11 -4.006 -18.803 2.858 57 HG2 ARG 11 1HG ARG 11 -4.102 -19.834 0.701 58 HG3 ARG 11 2HG ARG 11 -2.480 -19.240 0.300 59 HD2 ARG 11 1HD ARG 11 -2.425 -21.580 0.911 60 HD3 ARG 11 2HD ARG 11 -1.553 -20.595 2.088 61 HH11 ARG 11 1HH1 ARG 11 -1.082 -22.605 2.952 62 HH12 ARG 11 2HH1 ARG 11 -1.483 -23.615 4.262 63 HH21 ARG 11 1HH2 ARG 11 -4.762 -22.423 4.668 64 HH22 ARG 11 2HH2 ARG 11 -3.569 -23.517 5.240 65 H LYS 12 H LYS 12 -2.030 -15.868 3.000 66 HA LYS 12 HA LYS 12 -4.054 -14.903 4.830 67 HB2 LYS 12 1HB LYS 12 -1.061 -15.026 5.162 68 HB3 LYS 12 2HB LYS 12 -2.191 -14.508 6.407 69 HG2 LYS 12 1HG LYS 12 -3.230 -16.729 6.358 70 HG3 LYS 12 2HG LYS 12 -2.040 -17.230 5.146 71 HD2 LYS 12 1HD LYS 12 -1.423 -16.300 7.948 72 HD3 LYS 12 2HD LYS 12 -1.450 -17.978 7.403 73 HE2 LYS 12 1HE LYS 12 0.378 -17.441 5.815 74 HE3 LYS 12 2HE LYS 12 0.426 -15.803 6.465 75 HZ1 LYS 12 3HZ LYS 12 0.965 -16.755 8.648 76 HZ2 LYS 12 1HZ LYS 12 2.118 -17.179 7.494 77 HZ3 LYS 12 2HZ LYS 12 0.963 -18.290 7.979 78 H GLY 13 H GLY 13 -2.605 -13.839 2.164 79 HA2 GLY 13 1HA GLY 13 -1.888 -11.146 3.119 80 HA3 GLY 13 2HA GLY 13 -1.092 -12.009 1.810 81 H LEU 14 H LEU 14 -4.106 -12.863 1.220 82 HA LEU 14 HA LEU 14 -4.788 -10.338 -0.073 83 HG LEU 14 HG LEU 14 -4.561 -10.188 -2.322 84 HB2 LEU 14 1HB LEU 14 -3.694 -12.433 -1.385 85 HB3 LEU 14 2HB LEU 14 -5.409 -12.871 -1.422 86 HD11 LEU 14 1HD1 LEU 14 -4.353 -11.049 -4.558 87 HD12 LEU 14 2HD1 LEU 14 -4.579 -12.700 -3.972 88 HD13 LEU 14 3HD1 LEU 14 -3.158 -11.777 -3.484 89 HD21 LEU 14 3HD2 LEU 14 -6.449 -10.467 -3.763 90 HD22 LEU 14 1HD2 LEU 14 -6.931 -10.597 -2.059 91 HD23 LEU 14 2HD2 LEU 14 -6.766 -12.054 -3.068 92 H GLU 15 H GLU 15 -6.772 -9.768 0.641 93 HA GLU 15 HA GLU 15 -8.523 -11.983 1.110 94 HB2 GLU 15 1HB GLU 15 -7.714 -10.729 3.258 95 HB3 GLU 15 2HB GLU 15 -8.841 -9.479 2.740 96 HG2 GLU 15 1HG GLU 15 -9.494 -12.315 3.376 97 HG3 GLU 15 2HG GLU 15 -9.706 -10.900 4.411 98 H GLN 16 H GLN 16 -9.579 -11.742 -0.764 99 HA GLN 16 HA GLN 16 -9.854 -9.513 -2.256 100 HB2 GLN 16 1HB GLN 16 -11.824 -11.769 -2.482 101 HB3 GLN 16 2HB GLN 16 -11.218 -10.692 -3.737 102 HG2 GLN 16 1HG GLN 16 -9.908 -12.585 -4.188 103 HG3 GLN 16 2HG GLN 16 -8.913 -11.720 -3.023 104 HE21 GLN 16 1HE2 GLN 16 -11.073 -14.356 -3.457 105 HE22 GLN 16 2HE2 GLN 16 -10.598 -15.229 -2.033 106 H GLY 17 H GLY 17 -12.102 -10.819 0.172 107 HA2 GLY 17 1HA GLY 17 -14.439 -9.482 -0.545 108 HA3 GLY 17 2HA GLY 17 -14.039 -10.105 1.059 109 H ASN 18 H ASN 18 -12.007 -8.559 1.908 110 HA ASN 18 HA ASN 18 -13.429 -6.113 2.332 111 HB2 ASN 18 1HB ASN 18 -11.973 -5.670 4.194 112 HB3 ASN 18 2HB ASN 18 -12.028 -7.429 4.088 113 HD21 ASN 18 1HD2 ASN 18 -10.170 -7.840 2.087 114 HD22 ASN 18 2HD2 ASN 18 -8.677 -7.352 2.791 115 H LEU 19 H LEU 19 -11.005 -7.089 0.181 116 HA LEU 19 HA LEU 19 -9.592 -4.719 -0.388 117 HG LEU 19 HG LEU 19 -8.134 -7.664 -2.133 118 HB2 LEU 19 1HB LEU 19 -10.308 -7.171 -1.918 119 HB3 LEU 19 2HB LEU 19 -9.779 -5.759 -2.828 120 HD11 LEU 19 1HD1 LEU 19 -6.314 -5.993 -2.033 121 HD12 LEU 19 2HD1 LEU 19 -7.555 -4.714 -1.966 122 HD13 LEU 19 3HD1 LEU 19 -7.435 -5.789 -3.384 123 HD21 LEU 19 3HD2 LEU 19 -8.008 -5.832 0.227 124 HD22 LEU 19 1HD2 LEU 19 -6.885 -7.140 -0.145 125 HD23 LEU 19 2HD2 LEU 19 -8.575 -7.507 0.233 126 H LYS 20 H LYS 20 -12.617 -5.938 -1.881 127 HA LYS 20 HA LYS 20 -13.005 -3.737 -3.605 128 HB2 LYS 20 1HB LYS 20 -14.859 -5.748 -2.331 129 HB3 LYS 20 2HB LYS 20 -15.452 -4.470 -3.358 130 HG2 LYS 20 1HG LYS 20 -15.341 -6.507 -4.582 131 HG3 LYS 20 2HG LYS 20 -14.126 -5.399 -5.225 132 HD2 LYS 20 1HD LYS 20 -12.403 -6.593 -3.980 133 HD3 LYS 20 2HD LYS 20 -13.632 -7.686 -3.324 134 HE2 LYS 20 1HE LYS 20 -12.918 -7.356 -6.238 135 HE3 LYS 20 2HE LYS 20 -12.428 -8.695 -5.186 136 HZ1 LYS 20 3HZ LYS 20 -14.319 -9.290 -6.546 137 HZ2 LYS 20 1HZ LYS 20 -15.212 -8.001 -5.948 138 HZ3 LYS 20 2HZ LYS 20 -14.781 -9.265 -4.931 139 H LYS 21 H LYS 21 -13.704 -4.129 -0.226 140 HA LYS 21 HA LYS 21 -15.593 -1.991 -0.167 141 HB2 LYS 21 1HB LYS 21 -14.111 -3.222 2.146 142 HB3 LYS 21 2HB LYS 21 -15.672 -2.416 2.182 143 HG2 LYS 21 1HG LYS 21 -15.128 -4.994 0.752 144 HG3 LYS 21 2HG LYS 21 -15.770 -4.894 2.392 145 HD2 LYS 21 1HD LYS 21 -17.721 -3.665 1.495 146 HD3 LYS 21 2HD LYS 21 -17.015 -3.789 -0.121 147 HE2 LYS 21 1HE LYS 21 -17.781 -6.143 1.606 148 HE3 LYS 21 2HE LYS 21 -18.772 -5.496 0.302 149 HZ1 LYS 21 3HZ LYS 21 -17.492 -7.404 -0.421 150 HZ2 LYS 21 1HZ LYS 21 -16.036 -6.667 -0.026 151 HZ3 LYS 21 2HZ LYS 21 -17.021 -6.054 -1.263 152 H ALA 22 H ALA 22 -12.158 -2.420 0.439 153 HA ALA 22 HA ALA 22 -11.901 0.152 1.676 154 HB1 ALA 22 3HB ALA 22 -10.488 -1.748 2.304 155 HB2 ALA 22 1HB ALA 22 -9.538 -0.376 1.734 156 HB3 ALA 22 2HB ALA 22 -9.816 -1.766 0.680 157 H LEU 23 H LEU 23 -11.392 -1.207 -1.518 158 HA LEU 23 HA LEU 23 -9.964 1.076 -2.472 159 HG LEU 23 HG LEU 23 -10.153 -2.367 -2.802 160 HB2 LEU 23 1HB LEU 23 -11.386 -0.912 -4.160 161 HB3 LEU 23 2HB LEU 23 -9.960 0.036 -4.577 162 HD11 LEU 23 1HD1 LEU 23 -8.556 -1.880 -5.269 163 HD12 LEU 23 2HD1 LEU 23 -9.987 -2.895 -5.081 164 HD13 LEU 23 3HD1 LEU 23 -8.490 -3.319 -4.250 165 HD21 LEU 23 3HD2 LEU 23 -7.667 -0.659 -3.096 166 HD22 LEU 23 1HD2 LEU 23 -7.804 -2.188 -2.218 167 HD23 LEU 23 2HD2 LEU 23 -8.683 -0.791 -1.644 168 H VAL 24 H VAL 24 -13.119 0.452 -1.880 169 HA VAL 24 HA VAL 24 -14.419 2.197 -3.747 170 HB VAL 24 HB VAL 24 -15.257 1.438 -0.928 171 HG11 VAL 24 1HG1 VAL 24 -16.872 2.848 -3.043 172 HG12 VAL 24 2HG1 VAL 24 -16.241 3.549 -1.550 173 HG13 VAL 24 3HG1 VAL 24 -17.477 2.286 -1.474 174 HG21 VAL 24 3HG2 VAL 24 -16.869 -0.001 -2.036 175 HG22 VAL 24 1HG2 VAL 24 -15.208 -0.407 -2.459 176 HG23 VAL 24 2HG2 VAL 24 -16.220 0.481 -3.610 177 H ASN 25 H ASN 25 -13.139 2.682 -0.504 178 HA ASN 25 HA ASN 25 -13.801 5.553 -0.616 179 HB2 ASN 25 1HB ASN 25 -13.067 3.751 1.695 180 HB3 ASN 25 2HB ASN 25 -13.354 5.492 1.842 181 HD21 ASN 25 1HD2 ASN 25 -14.790 2.356 1.363 182 HD22 ASN 25 2HD2 ASN 25 -16.433 2.880 1.572 183 H VAL 26 H VAL 26 -11.372 3.776 -1.570 184 HA VAL 26 HA VAL 26 -9.173 4.776 -0.124 185 HB VAL 26 HB VAL 26 -9.754 2.694 -1.549 186 HG11 VAL 26 1HG1 VAL 26 -9.962 3.568 -3.607 187 HG12 VAL 26 2HG1 VAL 26 -8.674 2.391 -3.515 188 HG13 VAL 26 3HG1 VAL 26 -8.269 4.125 -3.610 189 HG21 VAL 26 3HG2 VAL 26 -7.481 2.022 -1.614 190 HG22 VAL 26 1HG2 VAL 26 -8.047 2.709 -0.093 191 HG23 VAL 26 2HG2 VAL 26 -6.996 3.690 -1.167 192 H GLU 27 H GLU 27 -7.433 5.948 -1.135 193 HA GLU 27 HA GLU 27 -8.268 7.946 -3.114 194 HB2 GLU 27 1HB GLU 27 -7.581 8.501 -0.714 195 HB3 GLU 27 2HB GLU 27 -5.951 8.112 -1.263 196 HG2 GLU 27 1HG GLU 27 -6.092 10.316 -1.498 197 HG3 GLU 27 2HG GLU 27 -6.445 9.684 -3.119 198 H TRP 28 H TRP 28 -7.457 7.095 -4.903 199 HA TRP 28 HA TRP 28 -5.379 5.144 -4.847 200 HD1 TRP 28 HD1 TRP 28 -9.011 4.861 -7.005 201 HE1 TRP 28 HE1 TRP 28 -9.531 2.402 -6.457 202 HE3 TRP 28 HE3 TRP 28 -4.366 3.375 -5.680 203 HZ2 TRP 28 HZ2 TRP 28 -8.108 0.148 -5.633 204 HZ3 TRP 28 HZ3 TRP 28 -4.014 1.054 -4.994 205 HH2 TRP 28 HH2 TRP 28 -5.852 -0.518 -4.960 206 HB2 TRP 28 1HB TRP 28 -6.999 6.333 -6.930 207 HB3 TRP 28 2HB TRP 28 -5.587 5.424 -7.459 208 H ASN 29 H ASN 29 -3.500 5.047 -5.031 209 HA ASN 29 HA ASN 29 -1.347 5.447 -5.410 210 HB2 ASN 29 1HB ASN 29 -2.558 6.394 -7.597 211 HB3 ASN 29 2HB ASN 29 -1.736 7.856 -7.053 212 HD21 ASN 29 1HD2 ASN 29 0.428 6.201 -5.865 213 HD22 ASN 29 2HD2 ASN 29 1.404 5.700 -7.206 214 H ILE 30 H ILE 30 -3.083 6.786 -3.477 215 HA ILE 30 HA ILE 30 -1.142 8.762 -2.574 216 HB ILE 30 HB ILE 30 -4.137 8.856 -2.136 217 HG12 ILE 30 1HG1 ILE 30 -2.416 10.389 -4.106 218 HG13 ILE 30 2HG1 ILE 30 -3.958 9.510 -4.262 219 HG21 ILE 30 1HG2 ILE 30 -2.013 10.785 -1.221 220 HG22 ILE 30 2HG2 ILE 30 -2.992 9.685 -0.234 221 HG23 ILE 30 3HG2 ILE 30 -3.764 11.023 -1.077 222 HD11 ILE 30 3HD1 ILE 30 -4.196 11.957 -4.502 223 HD12 ILE 30 1HD1 ILE 30 -3.693 12.121 -2.822 224 HD13 ILE 30 2HD1 ILE 30 -5.175 11.260 -3.210 225 H CYS 31 H CYS 31 -0.203 7.679 -1.027 226 HA CYS 31 HA CYS 31 -1.359 5.726 0.567 227 HB2 CYS 31 1HB CYS 31 0.952 5.769 0.749 228 HB3 CYS 31 2HB CYS 31 1.092 7.475 1.088 229 H GLN 32 H GLN 32 -3.050 5.915 1.477 230 HA GLN 32 HA GLN 32 -4.588 8.136 2.401 231 HB2 GLN 32 1HB GLN 32 -4.570 5.335 3.490 232 HB3 GLN 32 2HB GLN 32 -5.951 6.427 3.485 233 HG2 GLN 32 1HG GLN 32 -6.036 6.342 1.186 234 HG3 GLN 32 2HG GLN 32 -4.653 5.256 1.084 235 HE21 GLN 32 1HE2 GLN 32 -7.929 5.555 2.097 236 HE22 GLN 32 2HE2 GLN 32 -8.180 3.853 2.367 237 H ASP 33 H ASP 33 -2.436 6.006 3.785 238 HA ASP 33 HA ASP 33 -2.786 6.860 6.475 239 HB2 ASP 33 1HB ASP 33 -1.799 4.637 5.673 240 HB3 ASP 33 2HB ASP 33 -0.262 5.522 5.588 241 H CYS 34 H CYS 34 -1.002 8.402 3.851 242 HA CYS 34 HA CYS 34 0.601 9.959 5.568 243 HB2 CYS 34 1HB CYS 34 0.011 9.606 2.720 244 HB3 CYS 34 2HB CYS 34 0.515 11.204 3.217 245 H LYS 35 H LYS 35 -2.522 9.897 4.044 246 HA LYS 35 HA LYS 35 -2.995 12.576 3.687 247 HB2 LYS 35 1HB LYS 35 -3.543 10.687 2.415 248 HB3 LYS 35 2HB LYS 35 -4.516 10.040 3.729 249 HG2 LYS 35 1HG LYS 35 -5.779 12.131 3.653 250 HG3 LYS 35 2HG LYS 35 -4.927 12.413 2.103 251 HD2 LYS 35 1HD LYS 35 -6.074 10.871 0.976 252 HD3 LYS 35 2HD LYS 35 -6.193 9.796 2.385 253 HE2 LYS 35 1HE LYS 35 -7.705 11.099 3.377 254 HE3 LYS 35 2HE LYS 35 -7.592 12.384 2.167 255 HZ1 LYS 35 3HZ LYS 35 -8.566 10.828 0.516 256 HZ2 LYS 35 1HZ LYS 35 -9.612 11.037 1.819 257 HZ3 LYS 35 2HZ LYS 35 -8.698 9.634 1.709 258 H THR 36 H THR 36 -3.977 10.022 5.959 259 HA THR 36 HA THR 36 -5.259 12.068 7.503 260 HB THR 36 HB THR 36 -6.277 9.972 8.682 261 HG1 THR 36 HG1 THR 36 -5.086 8.389 7.692 262 HG21 THR 36 3HG2 THR 36 -8.106 9.934 7.035 263 HG22 THR 36 1HG2 THR 36 -7.069 10.791 5.890 264 HG23 THR 36 2HG2 THR 36 -7.557 11.572 7.395 265 H ASP 37 H ASP 37 -2.412 11.367 7.296 266 HA ASP 37 HA ASP 37 -1.754 10.126 9.780 267 HB2 ASP 37 1HB ASP 37 -0.140 10.196 7.782 268 HB3 ASP 37 2HB ASP 37 0.176 11.870 8.260 269 H ASN 38 H ASN 38 -2.675 11.125 11.201 270 HA ASN 38 HA ASN 38 -2.030 13.943 11.903 271 HB2 ASN 38 1HB ASN 38 -4.304 12.783 12.079 272 HB3 ASN 38 2HB ASN 38 -3.606 12.052 13.530 273 HD21 ASN 38 1HD2 ASN 38 -3.060 15.382 12.438 274 HD22 ASN 38 2HD2 ASN 38 -3.783 16.121 13.835 275 H LYS 39 H LYS 39 -0.595 11.169 12.181 276 HA LYS 39 HA LYS 39 0.052 10.983 15.010 277 HB2 LYS 39 1HB LYS 39 1.264 9.554 12.660 278 HB3 LYS 39 2HB LYS 39 1.491 9.121 14.352 279 HG2 LYS 39 1HG LYS 39 -0.843 8.578 14.521 280 HG3 LYS 39 2HG LYS 39 -1.057 8.981 12.806 281 HD2 LYS 39 1HD LYS 39 0.692 7.389 12.253 282 HD3 LYS 39 2HD LYS 39 0.805 6.933 13.946 283 HE2 LYS 39 1HE LYS 39 -1.659 6.703 12.266 284 HE3 LYS 39 2HE LYS 39 -0.548 5.373 12.633 285 HZ1 LYS 39 3HZ LYS 39 -1.084 5.723 15.004 286 HZ2 LYS 39 1HZ LYS 39 -2.435 5.296 14.080 287 HZ3 LYS 39 2HZ LYS 39 -2.219 6.895 14.567 288 H VAL 40 H VAL 40 1.730 11.698 12.006 289 HA VAL 40 HA VAL 40 4.177 12.396 13.254 290 HB VAL 40 HB VAL 40 4.848 13.311 11.110 291 HG11 VAL 40 1HG1 VAL 40 4.666 11.275 9.761 292 HG12 VAL 40 2HG1 VAL 40 3.418 10.686 10.858 293 HG13 VAL 40 3HG1 VAL 40 5.061 10.930 11.446 294 HG21 VAL 40 3HG2 VAL 40 2.021 12.773 10.206 295 HG22 VAL 40 1HG2 VAL 40 3.353 13.237 9.149 296 HG23 VAL 40 2HG2 VAL 40 2.776 14.355 10.388 297 H LYS 41 H LYS 41 5.165 14.556 13.017 298 HA LYS 41 HA LYS 41 3.418 16.393 14.340 299 HB2 LYS 41 1HB LYS 41 6.308 16.664 13.554 300 HB3 LYS 41 2HB LYS 41 5.397 17.875 14.465 301 HG2 LYS 41 1HG LYS 41 4.990 16.184 16.206 302 HG3 LYS 41 2HG LYS 41 6.018 15.061 15.313 303 HD2 LYS 41 1HD LYS 41 7.897 16.567 15.538 304 HD3 LYS 41 2HD LYS 41 6.877 17.753 16.357 305 HE2 LYS 41 1HE LYS 41 6.433 16.088 18.127 306 HE3 LYS 41 2HE LYS 41 7.551 14.988 17.319 307 HZ1 LYS 41 3HZ LYS 41 8.256 17.659 18.343 308 HZ2 LYS 41 1HZ LYS 41 9.323 16.522 17.703 309 HZ3 LYS 41 2HZ LYS 41 8.527 16.238 19.187 310 H ASP 42 H ASP 42 5.240 16.473 11.301 311 HA ASP 42 HA ASP 42 3.663 18.866 10.674 312 HB2 ASP 42 1HB ASP 42 5.943 17.945 9.009 313 HB3 ASP 42 2HB ASP 42 5.232 19.537 9.114 314 H LYS 43 H LYS 43 2.551 18.953 8.944 315 HA LYS 43 HA LYS 43 2.567 16.824 6.983 316 HB2 LYS 43 1HB LYS 43 0.270 17.446 8.681 317 HB3 LYS 43 2HB LYS 43 -0.132 17.247 6.961 318 HG2 LYS 43 1HG LYS 43 1.022 15.331 8.970 319 HG3 LYS 43 2HG LYS 43 -0.528 15.228 8.113 320 HD2 LYS 43 1HD LYS 43 2.221 14.970 7.018 321 HD3 LYS 43 2HD LYS 43 1.037 13.669 7.174 322 HE2 LYS 43 1HE LYS 43 0.850 16.078 5.319 323 HE3 LYS 43 2HE LYS 43 1.228 14.436 4.822 324 HZ1 LYS 43 3HZ LYS 43 -1.044 14.962 4.359 325 HZ2 LYS 43 1HZ LYS 43 -1.364 15.338 5.981 326 HZ3 LYS 43 2HZ LYS 43 -0.959 13.759 5.528 327 H ALA 44 H ALA 44 3.179 19.783 7.385 328 HA ALA 44 HA ALA 44 1.620 21.151 5.460 329 HB1 ALA 44 3HB ALA 44 4.430 21.668 6.446 330 HB2 ALA 44 1HB ALA 44 2.950 22.341 7.125 331 HB3 ALA 44 2HB ALA 44 3.465 22.803 5.501 332 H GLU 45 H GLU 45 4.207 18.925 5.350 333 HA GLU 45 HA GLU 45 5.348 17.909 3.820 334 HB2 GLU 45 1HB GLU 45 3.122 18.844 2.023 335 HB3 GLU 45 2HB GLU 45 4.430 17.789 1.463 336 HG2 GLU 45 1HG GLU 45 3.785 16.079 3.013 337 HG3 GLU 45 2HG GLU 45 2.608 17.144 3.772 338 H GLU 46 H GLU 46 7.010 19.233 4.328 339 HA GLU 46 HA GLU 46 7.794 21.586 3.179 340 HB2 GLU 46 1HB GLU 46 8.701 20.308 5.158 341 HB3 GLU 46 2HB GLU 46 9.516 19.257 3.994 342 HG2 GLU 46 1HG GLU 46 10.629 21.246 3.108 343 HG3 GLU 46 2HG GLU 46 9.869 22.154 4.425 344 H GLU 47 H GLU 47 7.900 18.290 2.076 345 HA GLU 47 HA GLU 47 9.013 19.155 -0.418 346 HB2 GLU 47 1HB GLU 47 10.511 17.662 0.844 347 HB3 GLU 47 2HB GLU 47 9.152 16.512 0.894 348 HG2 GLU 47 1HG GLU 47 9.229 16.124 -1.374 349 HG3 GLU 47 2HG GLU 47 10.295 17.506 -1.670 350 H THR 48 H THR 48 7.000 19.622 -0.728 351 HA THR 48 HA THR 48 4.816 17.825 -0.801 352 HB THR 48 HB THR 48 4.371 20.248 -0.839 353 HG1 THR 48 HG1 THR 48 2.660 19.199 -1.627 354 HG21 THR 48 3HG2 THR 48 5.448 20.183 -3.661 355 HG22 THR 48 1HG2 THR 48 6.229 20.948 -2.276 356 HG23 THR 48 2HG2 THR 48 4.693 21.571 -2.878 357 H GLU 49 H GLU 49 7.464 18.111 -2.803 358 HA GLU 49 HA GLU 49 6.233 16.639 -4.983 359 HB2 GLU 49 1HB GLU 49 8.980 17.804 -4.654 360 HB3 GLU 49 2HB GLU 49 8.325 17.038 -6.108 361 HG2 GLU 49 1HG GLU 49 6.699 18.750 -6.357 362 HG3 GLU 49 2HG GLU 49 7.137 19.449 -4.796 363 H GLU 50 H GLU 50 6.659 15.478 -2.356 364 HA GLU 50 HA GLU 50 8.759 13.559 -2.818 365 HB2 GLU 50 1HB GLU 50 7.927 12.410 -0.776 366 HB3 GLU 50 2HB GLU 50 8.300 14.098 -0.480 367 HG2 GLU 50 1HG GLU 50 5.971 14.661 -0.440 368 HG3 GLU 50 2HG GLU 50 5.546 13.035 -0.988 369 H LYS 51 H LYS 51 8.517 11.910 -4.167 370 HA LYS 51 HA LYS 51 5.858 10.885 -4.385 371 HB2 LYS 51 1HB LYS 51 6.378 10.199 -6.724 372 HB3 LYS 51 2HB LYS 51 6.122 11.937 -6.506 373 HG2 LYS 51 1HG LYS 51 8.741 10.537 -6.682 374 HG3 LYS 51 2HG LYS 51 7.899 11.134 -8.121 375 HD2 LYS 51 1HD LYS 51 8.794 12.731 -5.765 376 HD3 LYS 51 2HD LYS 51 9.678 12.679 -7.304 377 HE2 LYS 51 1HE LYS 51 6.885 13.795 -6.816 378 HE3 LYS 51 2HE LYS 51 8.334 14.740 -7.095 379 HZ1 LYS 51 3HZ LYS 51 6.991 14.571 -9.079 380 HZ2 LYS 51 1HZ LYS 51 7.085 12.896 -9.058 381 HZ3 LYS 51 2HZ LYS 51 8.463 13.813 -9.324 382 HA PRO 52 HA PRO 52 8.386 7.441 -2.966 383 HB2 PRO 52 1HB PRO 52 6.660 6.636 -1.101 384 HB3 PRO 52 2HB PRO 52 7.656 8.083 -0.818 385 HG2 PRO 52 1HG PRO 52 4.807 7.853 -1.712 386 HG3 PRO 52 2HG PRO 52 5.504 8.903 -0.462 387 HD2 PRO 52 1HD PRO 52 5.034 9.763 -3.033 388 HD3 PRO 52 2HD PRO 52 6.330 10.372 -1.957 389 H SER 53 H SER 53 7.743 5.141 -2.916 390 HA SER 53 HA SER 53 5.984 4.516 -5.025 391 HG SER 53 HG SER 53 8.792 2.504 -2.993 392 HB2 SER 53 1HB SER 53 6.682 2.175 -4.153 393 HB3 SER 53 2HB SER 53 7.931 3.206 -4.878 394 H VAL 54 H VAL 54 4.030 3.680 -4.807 395 HA VAL 54 HA VAL 54 2.880 3.765 -2.077 396 HB VAL 54 HB VAL 54 1.287 4.355 -4.626 397 HG11 VAL 54 1HG1 VAL 54 -0.506 4.937 -3.146 398 HG12 VAL 54 2HG1 VAL 54 0.526 4.693 -1.739 399 HG13 VAL 54 3HG1 VAL 54 0.056 3.316 -2.732 400 HG21 VAL 54 3HG2 VAL 54 1.240 6.641 -3.875 401 HG22 VAL 54 1HG2 VAL 54 2.909 6.115 -4.100 402 HG23 VAL 54 2HG2 VAL 54 2.242 6.238 -2.472 403 H TRP 55 H TRP 55 2.556 2.064 -1.372 404 HA TRP 55 HA TRP 55 2.089 -0.240 -3.099 405 HD1 TRP 55 HD1 TRP 55 5.197 1.488 -1.050 406 HE1 TRP 55 HE1 TRP 55 7.367 1.052 -2.332 407 HE3 TRP 55 HE3 TRP 55 3.996 -2.992 -3.190 408 HZ2 TRP 55 HZ2 TRP 55 8.446 -0.922 -4.028 409 HZ3 TRP 55 HZ3 TRP 55 5.663 -4.092 -4.626 410 HH2 TRP 55 HH2 TRP 55 7.840 -3.074 -5.038 411 HB2 TRP 55 1HB TRP 55 3.234 -0.161 -0.298 412 HB3 TRP 55 2HB TRP 55 2.995 -1.611 -1.276 413 H LEU 56 H LEU 56 0.287 -1.117 -2.976 414 HA LEU 56 HA LEU 56 -1.586 -0.373 -0.851 415 HG LEU 56 HG LEU 56 -3.717 -1.852 -1.269 416 HB2 LEU 56 1HB LEU 56 -2.427 0.017 -3.048 417 HB3 LEU 56 2HB LEU 56 -2.184 -1.663 -3.520 418 HD11 LEU 56 1HD1 LEU 56 -5.606 -0.352 -1.562 419 HD12 LEU 56 2HD1 LEU 56 -4.685 0.540 -2.774 420 HD13 LEU 56 3HD1 LEU 56 -4.110 0.459 -1.106 421 HD21 LEU 56 3HD2 LEU 56 -5.540 -2.413 -2.815 422 HD22 LEU 56 1HD2 LEU 56 -3.981 -3.166 -3.182 423 HD23 LEU 56 2HD2 LEU 56 -4.520 -1.780 -4.136 424 H CYS 57 H CYS 57 -2.005 -1.766 0.680 425 HA CYS 57 HA CYS 57 -1.001 -4.415 0.982 426 HB2 CYS 57 1HB CYS 57 -1.832 -2.779 2.747 427 HB3 CYS 57 2HB CYS 57 -3.453 -3.209 2.239 428 H LEU 58 H LEU 58 -1.559 -6.165 -0.365 429 HA LEU 58 HA LEU 58 -3.978 -6.238 -1.809 430 HG LEU 58 HG LEU 58 -1.779 -6.014 -3.022 431 HB2 LEU 58 1HB LEU 58 -1.645 -8.001 -1.226 432 HB3 LEU 58 2HB LEU 58 -3.011 -8.585 -2.163 433 HD11 LEU 58 1HD1 LEU 58 -0.651 -8.739 -3.664 434 HD12 LEU 58 2HD1 LEU 58 0.102 -7.527 -2.603 435 HD13 LEU 58 3HD1 LEU 58 -0.169 -7.152 -4.307 436 HD21 LEU 58 3HD2 LEU 58 -2.895 -8.421 -4.368 437 HD22 LEU 58 1HD2 LEU 58 -2.407 -6.931 -5.173 438 HD23 LEU 58 2HD2 LEU 58 -3.782 -6.921 -4.050 439 H LYS 59 H LYS 59 -3.178 -6.788 1.184 440 HA LYS 59 HA LYS 59 -5.055 -8.896 1.698 441 HB2 LYS 59 1HB LYS 59 -3.054 -8.989 2.941 442 HB3 LYS 59 2HB LYS 59 -3.276 -7.370 3.602 443 HG2 LYS 59 1HG LYS 59 -3.901 -8.883 5.309 444 HG3 LYS 59 2HG LYS 59 -5.322 -8.139 4.521 445 HD2 LYS 59 1HD LYS 59 -5.937 -10.051 3.427 446 HD3 LYS 59 2HD LYS 59 -4.355 -10.817 3.533 447 HE2 LYS 59 1HE LYS 59 -5.751 -12.021 4.973 448 HE3 LYS 59 2HE LYS 59 -4.748 -10.973 5.983 449 HZ1 LYS 59 3HZ LYS 59 -6.685 -9.465 6.224 450 HZ2 LYS 59 1HZ LYS 59 -7.094 -11.033 6.681 451 HZ3 LYS 59 2HZ LYS 59 -7.573 -10.440 5.195 452 H CYS 60 H CYS 60 -4.851 -5.477 2.445 453 HA CYS 60 HA CYS 60 -7.762 -5.605 3.076 454 HB2 CYS 60 1HB CYS 60 -7.593 -4.240 4.986 455 HB3 CYS 60 2HB CYS 60 -6.334 -5.486 5.095 456 H GLY 61 H GLY 61 -5.579 -4.006 1.134 457 HA2 GLY 61 1HA GLY 61 -6.072 -2.343 -0.350 458 HA3 GLY 61 2HA GLY 61 -7.649 -2.134 0.427 459 H HIS 62 H HIS 62 -5.142 -2.070 2.624 460 HA HIS 62 HA HIS 62 -5.202 0.818 3.028 461 HD1 HIS 62 HD1 HIS 62 -1.233 0.185 4.350 462 HD2 HIS 62 HD2 HIS 62 -4.615 1.876 6.058 463 HE1 HIS 62 HE1 HIS 62 -0.416 2.126 5.674 464 HB2 HIS 62 1HB HIS 62 -4.827 -0.675 4.961 465 HB3 HIS 62 2HB HIS 62 -3.362 -1.291 4.185 466 H GLN 63 H GLN 63 -4.200 2.185 2.015 467 HA GLN 63 HA GLN 63 -2.088 1.313 0.275 468 HB2 GLN 63 1HB GLN 63 -4.175 2.400 -0.482 469 HB3 GLN 63 2HB GLN 63 -3.586 3.825 0.365 470 HG2 GLN 63 1HG GLN 63 -1.855 4.151 -1.165 471 HG3 GLN 63 2HG GLN 63 -2.133 2.549 -1.885 472 HE21 GLN 63 1HE2 GLN 63 -4.826 4.375 -0.958 473 HE22 GLN 63 2HE2 GLN 63 -5.246 4.843 -2.579 474 H GLY 64 H GLY 64 -0.174 1.874 0.788 475 HA2 GLY 64 1HA GLY 64 0.519 4.133 2.560 476 HA3 GLY 64 2HA GLY 64 1.072 2.499 2.881 477 H CYS 65 H CYS 65 2.661 4.591 2.585 478 HA CYS 65 HA CYS 65 3.774 4.386 -0.055 479 HB2 CYS 65 1HB CYS 65 5.181 6.316 0.724 480 HB3 CYS 65 2HB CYS 65 3.441 6.607 0.805 481 H GLY 66 H GLY 66 5.771 3.453 -0.381 482 HA2 GLY 66 1HA GLY 66 6.564 1.582 1.693 483 HA3 GLY 66 2HA GLY 66 7.080 1.566 0.006 484 H ARG 67 H ARG 67 9.161 1.303 0.374 485 HA ARG 67 HA ARG 67 10.822 2.219 2.357 486 HE ARG 67 HE ARG 67 13.386 2.574 -1.346 487 HB2 ARG 67 1HB ARG 67 11.335 0.496 0.672 488 HB3 ARG 67 2HB ARG 67 11.561 1.776 -0.511 489 HG2 ARG 67 1HG ARG 67 13.313 2.709 0.982 490 HG3 ARG 67 2HG ARG 67 13.233 1.197 1.913 491 HD2 ARG 67 1HD ARG 67 14.976 0.907 0.338 492 HD3 ARG 67 2HD ARG 67 13.570 0.045 -0.303 493 HH11 ARG 67 1HH1 ARG 67 15.675 -0.063 -1.596 494 HH12 ARG 67 2HH1 ARG 67 16.391 0.431 -3.037 495 HH21 ARG 67 1HH2 ARG 67 14.272 3.341 -3.274 496 HH22 ARG 67 2HH2 ARG 67 15.534 2.503 -4.074 497 H ASN 68 H ASN 68 9.913 3.855 -0.557 498 HA ASN 68 HA ASN 68 12.086 5.774 -0.438 499 HB2 ASN 68 1HB ASN 68 9.714 5.664 -2.230 500 HB3 ASN 68 2HB ASN 68 11.185 6.612 -2.528 501 HD21 ASN 68 1HD2 ASN 68 10.035 4.659 -4.266 502 HD22 ASN 68 2HD2 ASN 68 11.164 3.344 -4.400 503 H SER 69 H SER 69 9.823 5.752 1.613 504 HA SER 69 HA SER 69 9.082 8.546 1.225 505 HG SER 69 HG SER 69 7.761 5.358 2.369 506 HB2 SER 69 1HB SER 69 7.129 8.083 2.636 507 HB3 SER 69 2HB SER 69 7.127 7.098 1.159 508 H GLN 70 H GLN 70 8.687 9.604 3.483 509 HA GLN 70 HA GLN 70 11.030 9.122 5.035 510 HB2 GLN 70 1HB GLN 70 10.271 11.060 6.376 511 HB3 GLN 70 2HB GLN 70 10.402 11.361 4.636 512 HG2 GLN 70 1HG GLN 70 7.968 11.227 4.444 513 HG3 GLN 70 2HG GLN 70 7.853 10.927 6.175 514 HE21 GLN 70 1HE2 GLN 70 6.844 13.152 4.447 515 HE22 GLN 70 2HE2 GLN 70 7.462 14.589 5.198 516 H GLU 71 H GLU 71 7.691 8.490 5.364 517 HA GLU 71 HA GLU 71 8.086 7.546 8.105 518 HB2 GLU 71 1HB GLU 71 5.674 8.111 6.496 519 HB3 GLU 71 2HB GLU 71 5.571 7.025 7.886 520 HG2 GLU 71 1HG GLU 71 6.620 9.832 7.944 521 HG3 GLU 71 2HG GLU 71 4.989 9.288 8.410 522 H GLN 72 H GLN 72 7.383 6.238 4.962 523 HA GLN 72 HA GLN 72 7.223 4.135 4.163 524 HB2 GLN 72 1HB GLN 72 8.930 3.586 6.601 525 HB3 GLN 72 2HB GLN 72 8.597 2.352 5.380 526 HG2 GLN 72 1HG GLN 72 9.664 3.707 3.693 527 HG3 GLN 72 2HG GLN 72 9.982 4.958 4.896 528 HE21 GLN 72 1HE2 GLN 72 10.660 1.730 4.019 529 HE22 GLN 72 2HE2 GLN 72 12.198 1.841 4.830 530 H HIS 73 H HIS 73 4.937 4.866 5.112 531 HA HIS 73 HA HIS 73 3.867 3.691 7.292 532 HD2 HIS 73 HD2 HIS 73 3.015 5.615 8.610 533 HE1 HIS 73 HE1 HIS 73 2.356 9.087 6.266 534 HE2 HIS 73 HE2 HIS 73 2.698 8.212 8.658 535 HB2 HIS 73 1HB HIS 73 2.802 4.782 4.740 536 HB3 HIS 73 2HB HIS 73 1.762 4.149 6.010 537 H ALA 74 H ALA 74 4.303 2.411 4.056 538 HA ALA 74 HA ALA 74 2.524 0.144 4.341 539 HB1 ALA 74 3HB ALA 74 3.302 1.002 2.138 540 HB2 ALA 74 1HB ALA 74 3.636 -0.716 2.371 541 HB3 ALA 74 2HB ALA 74 4.932 0.466 2.546 542 H LEU 75 H LEU 75 5.853 0.742 5.218 543 HA LEU 75 HA LEU 75 6.226 -2.012 5.828 544 HG LEU 75 HG LEU 75 8.357 -2.443 5.009 545 HB2 LEU 75 1HB LEU 75 7.946 0.370 5.949 546 HB3 LEU 75 2HB LEU 75 8.329 -0.970 7.033 547 HD11 LEU 75 1HD1 LEU 75 7.140 -1.020 3.448 548 HD12 LEU 75 2HD1 LEU 75 8.719 -1.515 2.858 549 HD13 LEU 75 3HD1 LEU 75 8.491 0.132 3.449 550 HD21 LEU 75 3HD2 LEU 75 10.592 -1.783 4.421 551 HD22 LEU 75 1HD2 LEU 75 10.221 -1.733 6.154 552 HD23 LEU 75 2HD2 LEU 75 10.297 -0.215 5.236 553 H LYS 76 H LYS 76 5.809 1.047 7.793 554 HA LYS 76 HA LYS 76 5.645 -0.100 10.222 555 HB2 LYS 76 1HB LYS 76 3.763 1.990 9.111 556 HB3 LYS 76 2HB LYS 76 4.194 1.741 10.809 557 HG2 LYS 76 1HG LYS 76 6.469 2.425 10.348 558 HG3 LYS 76 2HG LYS 76 6.078 2.617 8.631 559 HD2 LYS 76 1HD LYS 76 6.022 4.771 9.526 560 HD3 LYS 76 2HD LYS 76 4.332 4.279 9.376 561 HE2 LYS 76 1HE LYS 76 4.236 3.740 11.739 562 HE3 LYS 76 2HE LYS 76 5.949 4.158 11.920 563 HZ1 LYS 76 3HZ LYS 76 3.724 6.007 11.243 564 HZ2 LYS 76 1HZ LYS 76 5.335 6.475 11.245 565 HZ3 LYS 76 2HZ LYS 76 4.576 5.963 12.658 566 H HIS 77 H HIS 77 3.350 -0.240 7.545 567 HA HIS 77 HA HIS 77 1.214 -1.377 9.083 568 HD1 HIS 77 HD1 HIS 77 -1.363 -0.422 8.128 569 HD2 HIS 77 HD2 HIS 77 -0.190 -3.472 5.561 570 HE1 HIS 77 HE1 HIS 77 -3.453 -1.677 7.550 571 HB2 HIS 77 1HB HIS 77 0.958 -0.069 6.917 572 HB3 HIS 77 2HB HIS 77 1.634 -1.482 6.097 573 H TYR 78 H TYR 78 3.935 -2.672 7.222 574 HA TYR 78 HA TYR 78 3.040 -5.300 7.591 575 HD1 TYR 78 HD2 TYR 78 3.954 -7.392 6.708 576 HD2 TYR 78 HD1 TYR 78 7.597 -5.459 7.765 577 HE1 TYR 78 HE2 TYR 78 5.017 -9.588 7.072 578 HE2 TYR 78 HE1 TYR 78 8.655 -7.645 8.131 579 HH TYR 78 HH TYR 78 7.950 -9.955 8.659 580 HB2 TYR 78 1HB TYR 78 4.670 -4.848 5.997 581 HB3 TYR 78 2HB TYR 78 5.784 -4.134 7.173 582 H LEU 79 H LEU 79 4.935 -3.050 9.686 583 HA LEU 79 HA LEU 79 5.481 -5.096 11.542 584 HG LEU 79 HG LEU 79 7.250 -2.866 9.958 585 HB2 LEU 79 1HB LEU 79 5.791 -2.109 11.682 586 HB3 LEU 79 2HB LEU 79 6.453 -3.278 12.826 587 HD11 LEU 79 1HD1 LEU 79 8.163 -1.240 11.480 588 HD12 LEU 79 2HD1 LEU 79 9.425 -2.345 10.934 589 HD13 LEU 79 3HD1 LEU 79 8.735 -2.521 12.546 590 HD21 LEU 79 3HD2 LEU 79 7.194 -5.217 10.462 591 HD22 LEU 79 1HD2 LEU 79 8.177 -4.976 11.905 592 HD23 LEU 79 2HD2 LEU 79 8.868 -4.668 10.301 593 H THR 80 H THR 80 2.794 -3.584 10.767 594 HA THR 80 HA THR 80 1.815 -3.074 13.391 595 HB THR 80 HB THR 80 0.090 -3.538 10.910 596 HG1 THR 80 HG1 THR 80 1.842 -1.686 11.237 597 HG21 THR 80 3HG2 THR 80 -1.585 -2.206 12.107 598 HG22 THR 80 1HG2 THR 80 -0.498 -2.062 13.487 599 HG23 THR 80 2HG2 THR 80 -1.153 -3.636 13.047 600 HA PRO 81 HA PRO 81 1.398 -7.684 13.827 601 HB2 PRO 81 1HB PRO 81 1.248 -7.839 16.421 602 HB3 PRO 81 2HB PRO 81 2.717 -7.324 15.536 603 HG2 PRO 81 1HG PRO 81 0.728 -5.638 17.043 604 HG3 PRO 81 2HG PRO 81 2.503 -5.519 17.029 605 HD2 PRO 81 1HD PRO 81 0.760 -4.004 15.476 606 HD3 PRO 81 2HD PRO 81 2.496 -4.244 15.157 607 H ARG 82 H ARG 82 -0.715 -6.483 13.135 608 HA ARG 82 HA ARG 82 -2.969 -6.900 14.970 609 HE ARG 82 HE ARG 82 -4.931 -4.638 10.504 610 HB2 ARG 82 1HB ARG 82 -4.323 -5.895 13.068 611 HB3 ARG 82 2HB ARG 82 -3.066 -4.867 13.765 612 HG2 ARG 82 1HG ARG 82 -2.501 -4.482 11.505 613 HG3 ARG 82 2HG ARG 82 -1.699 -6.016 11.726 614 HD2 ARG 82 1HD ARG 82 -2.998 -6.049 9.685 615 HD3 ARG 82 2HD ARG 82 -3.547 -7.201 10.884 616 HH11 ARG 82 1HH1 ARG 82 -4.998 -8.089 11.217 617 HH12 ARG 82 2HH1 ARG 82 -6.720 -8.208 11.151 618 HH21 ARG 82 1HH2 ARG 82 -7.290 -4.820 10.479 619 HH22 ARG 82 2HH2 ARG 82 -8.018 -6.339 10.746 620 H SER 83 H SER 83 -3.226 -9.151 15.192 621 HA SER 83 HA SER 83 -3.737 -11.313 14.711 622 HG SER 83 HG SER 83 -5.858 -10.334 15.504 623 HB2 SER 83 1HB SER 83 -5.613 -10.071 12.684 624 HB3 SER 83 2HB SER 83 -5.835 -11.599 13.538 625 H GLU 84 H GLU 84 -4.293 -10.228 11.382 626 HA GLU 84 HA GLU 84 -2.633 -12.306 10.228 627 HB2 GLU 84 1HB GLU 84 -4.294 -10.126 8.962 628 HB3 GLU 84 2HB GLU 84 -3.548 -11.489 8.120 629 HG2 GLU 84 1HG GLU 84 -5.723 -11.673 10.182 630 HG3 GLU 84 2HG GLU 84 -5.918 -11.706 8.418 631 HA PRO 85 HA PRO 85 0.679 -9.441 9.812 632 HB2 PRO 85 1HB PRO 85 2.106 -10.499 7.793 633 HB3 PRO 85 2HB PRO 85 1.898 -11.351 9.339 634 HG2 PRO 85 1HG PRO 85 0.444 -11.768 6.745 635 HG3 PRO 85 2HG PRO 85 1.100 -12.982 7.870 636 HD2 PRO 85 1HD PRO 85 -1.586 -12.218 7.837 637 HD3 PRO 85 2HD PRO 85 -0.725 -12.847 9.260 638 H HIS 86 H HIS 86 -1.202 -9.909 6.972 639 HA HIS 86 HA HIS 86 -1.676 -8.520 5.129 640 HD2 HIS 86 HD2 HIS 86 -3.051 -8.837 7.983 641 HE1 HIS 86 HE1 HIS 86 -5.906 -5.846 7.113 642 HE2 HIS 86 HE2 HIS 86 -5.529 -8.074 8.269 643 HB2 HIS 86 1HB HIS 86 -0.934 -6.512 7.254 644 HB3 HIS 86 2HB HIS 86 -1.528 -6.043 5.655 645 H CYS 87 H CYS 87 0.562 -9.690 4.718 646 HA CYS 87 HA CYS 87 2.752 -7.859 4.840 647 HG CYS 87 HG CYS 87 1.756 -11.397 3.219 648 HB2 CYS 87 1HB CYS 87 4.083 -9.925 4.134 649 HB3 CYS 87 2HB CYS 87 3.385 -9.769 5.751 650 H LEU 88 H LEU 88 0.600 -8.097 2.663 651 HA LEU 88 HA LEU 88 2.304 -8.318 0.260 652 HG LEU 88 HG LEU 88 0.771 -10.968 1.367 653 HB2 LEU 88 1HB LEU 88 -0.447 -9.300 0.767 654 HB3 LEU 88 2HB LEU 88 0.140 -9.189 -0.865 655 HD11 LEU 88 1HD1 LEU 88 -0.766 -11.782 -0.364 656 HD12 LEU 88 2HD1 LEU 88 0.798 -12.671 -0.371 657 HD13 LEU 88 3HD1 LEU 88 0.506 -11.423 -1.569 658 HD21 LEU 88 3HD2 LEU 88 2.918 -10.221 0.858 659 HD22 LEU 88 1HD2 LEU 88 2.655 -10.453 -0.870 660 HD23 LEU 88 2HD2 LEU 88 2.754 -11.859 0.204 661 H VAL 89 H VAL 89 2.549 -6.855 -0.836 662 HA VAL 89 HA VAL 89 0.393 -4.899 -0.983 663 HB VAL 89 HB VAL 89 1.972 -3.062 -0.929 664 HG11 VAL 89 1HG1 VAL 89 0.903 -3.559 1.166 665 HG12 VAL 89 2HG1 VAL 89 2.591 -3.090 1.461 666 HG13 VAL 89 3HG1 VAL 89 2.129 -4.790 1.504 667 HG21 VAL 89 3HG2 VAL 89 3.915 -4.259 -1.696 668 HG22 VAL 89 1HG2 VAL 89 4.062 -5.087 -0.152 669 HG23 VAL 89 2HG2 VAL 89 4.298 -3.329 -0.238 670 H LEU 90 H LEU 90 0.222 -3.992 -2.972 671 HA LEU 90 HA LEU 90 2.163 -4.894 -4.950 672 HG LEU 90 HG LEU 90 -0.984 -3.106 -4.644 673 HB2 LEU 90 1HB LEU 90 0.471 -4.685 -6.620 674 HB3 LEU 90 2HB LEU 90 -0.257 -5.524 -5.261 675 HD11 LEU 90 1HD1 LEU 90 -1.639 -1.848 -6.672 676 HD12 LEU 90 2HD1 LEU 90 -0.735 -3.070 -7.602 677 HD13 LEU 90 3HD1 LEU 90 0.117 -2.038 -6.468 678 HD21 LEU 90 3HD2 LEU 90 -2.364 -4.836 -6.684 679 HD22 LEU 90 1HD2 LEU 90 -3.123 -3.492 -5.830 680 HD23 LEU 90 2HD2 LEU 90 -2.553 -4.888 -4.923 681 H SER 91 H SER 91 2.851 -3.293 -6.533 682 HA SER 91 HA SER 91 3.087 -0.668 -5.333 683 HG SER 91 HG SER 91 5.481 -1.966 -8.296 684 HB2 SER 91 1HB SER 91 5.037 -0.437 -6.659 685 HB3 SER 91 2HB SER 91 4.972 -2.151 -6.230 686 H LEU 92 H LEU 92 2.196 1.098 -6.146 687 HA LEU 92 HA LEU 92 0.461 0.862 -8.459 688 HG LEU 92 HG LEU 92 -0.484 0.970 -5.842 689 HB2 LEU 92 1HB LEU 92 1.007 2.981 -6.424 690 HB3 LEU 92 2HB LEU 92 -0.087 3.242 -7.784 691 HD11 LEU 92 1HD1 LEU 92 -0.466 3.204 -4.724 692 HD12 LEU 92 2HD1 LEU 92 -1.990 2.320 -4.683 693 HD13 LEU 92 3HD1 LEU 92 -1.782 3.646 -5.825 694 HD21 LEU 92 3HD2 LEU 92 -2.288 2.517 -7.599 695 HD22 LEU 92 1HD2 LEU 92 -2.709 1.076 -6.670 696 HD23 LEU 92 2HD2 LEU 92 -1.590 0.944 -8.049 697 H ASP 93 H ASP 93 3.458 0.969 -8.311 698 HA ASP 93 HA ASP 93 4.002 3.326 -9.955 699 HB2 ASP 93 1HB ASP 93 5.814 1.521 -8.360 700 HB3 ASP 93 2HB ASP 93 6.440 2.663 -9.559 701 H ASN 94 H ASN 94 4.840 -0.106 -9.796 702 HA ASN 94 HA ASN 94 4.814 -0.049 -12.743 703 HB2 ASN 94 1HB ASN 94 7.172 -0.153 -11.852 704 HB3 ASN 94 2HB ASN 94 6.744 -1.678 -11.071 705 HD21 ASN 94 1HD2 ASN 94 8.382 -2.698 -12.236 706 HD22 ASN 94 2HD2 ASN 94 8.216 -3.110 -13.913 707 H TRP 95 H TRP 95 3.323 -1.066 -10.095 708 HA TRP 95 HA TRP 95 1.875 -2.610 -9.567 709 HD1 TRP 95 HD1 TRP 95 1.507 -0.484 -13.062 710 HE1 TRP 95 HE1 TRP 95 -0.358 1.202 -12.587 711 HE3 TRP 95 HE3 TRP 95 -1.180 -3.191 -9.706 712 HZ2 TRP 95 HZ2 TRP 95 -2.680 1.377 -10.993 713 HZ3 TRP 95 HZ3 TRP 95 -3.199 -2.210 -8.745 714 HH2 TRP 95 HH2 TRP 95 -3.944 0.031 -9.372 715 HB2 TRP 95 1HB TRP 95 1.744 -3.080 -12.549 716 HB3 TRP 95 2HB TRP 95 0.622 -3.783 -11.382 717 H SER 96 H SER 96 4.009 -3.413 -8.712 718 HA SER 96 HA SER 96 4.203 -6.184 -9.607 719 HG SER 96 HG SER 96 6.531 -5.315 -10.581 720 HB2 SER 96 1HB SER 96 6.123 -4.765 -7.802 721 HB3 SER 96 2HB SER 96 6.328 -6.313 -8.615 722 H VAL 97 H VAL 97 4.733 -7.593 -7.636 723 HA VAL 97 HA VAL 97 3.154 -6.628 -5.397 724 HB VAL 97 HB VAL 97 3.354 -9.374 -6.633 725 HG11 VAL 97 1HG1 VAL 97 3.737 -9.558 -4.292 726 HG12 VAL 97 2HG1 VAL 97 2.132 -10.216 -4.742 727 HG13 VAL 97 3HG1 VAL 97 2.281 -8.612 -3.952 728 HG21 VAL 97 3HG2 VAL 97 1.619 -7.834 -7.397 729 HG22 VAL 97 1HG2 VAL 97 1.021 -7.738 -5.736 730 HG23 VAL 97 2HG2 VAL 97 1.018 -9.294 -6.596 731 H TRP 98 H TRP 98 4.012 -6.893 -3.409 732 HA TRP 98 HA TRP 98 6.679 -8.065 -3.296 733 HD1 TRP 98 HD1 TRP 98 7.259 -6.393 0.492 734 HE1 TRP 98 HE1 TRP 98 9.732 -6.988 0.868 735 HE3 TRP 98 HE3 TRP 98 8.802 -6.504 -4.374 736 HZ2 TRP 98 HZ2 TRP 98 11.988 -7.442 -0.677 737 HZ3 TRP 98 HZ3 TRP 98 11.131 -7.022 -4.861 738 HH2 TRP 98 HH2 TRP 98 12.731 -7.477 -3.046 739 HB2 TRP 98 1HB TRP 98 6.653 -5.435 -3.087 740 HB3 TRP 98 2HB TRP 98 5.842 -5.760 -1.561 741 H CYS 99 H CYS 99 6.977 -9.561 -1.681 742 HA CYS 99 HA CYS 99 4.878 -9.629 0.306 743 HB2 CYS 99 1HB CYS 99 4.700 -11.665 -0.853 744 HB3 CYS 99 2HB CYS 99 6.446 -11.949 -0.940 745 H TYR 100 H TYR 100 5.590 -8.865 2.069 746 HA TYR 100 HA TYR 100 8.336 -8.203 2.459 747 HD1 TYR 100 HD1 TYR 100 8.292 -5.585 3.226 748 HD2 TYR 100 HD2 TYR 100 4.386 -7.157 3.891 749 HE1 TYR 100 HE1 TYR 100 7.356 -3.448 2.620 750 HE2 TYR 100 HE2 TYR 100 3.424 -4.964 3.253 751 HH TYR 100 HH TYR 100 4.124 -2.679 3.197 752 HB2 TYR 100 1HB TYR 100 6.116 -8.402 4.468 753 HB3 TYR 100 2HB TYR 100 7.690 -7.689 4.780 754 H VAL 101 H VAL 101 6.443 -10.870 3.520 755 HA VAL 101 HA VAL 101 8.477 -11.706 5.394 756 HB VAL 101 HB VAL 101 6.171 -11.928 5.997 757 HG11 VAL 101 1HG1 VAL 101 4.728 -13.616 4.848 758 HG12 VAL 101 2HG1 VAL 101 6.032 -13.658 3.613 759 HG13 VAL 101 3HG1 VAL 101 5.184 -12.174 3.924 760 HG21 VAL 101 3HG2 VAL 101 6.081 -14.292 6.737 761 HG22 VAL 101 1HG2 VAL 101 7.660 -13.562 7.028 762 HG23 VAL 101 2HG2 VAL 101 7.434 -14.658 5.667 763 H CYS 102 H CYS 102 7.787 -12.385 2.075 764 HA CYS 102 HA CYS 102 9.517 -14.748 2.101 765 HB2 CYS 102 1HB CYS 102 7.985 -13.276 -0.018 766 HB3 CYS 102 2HB CYS 102 9.318 -14.336 -0.463 767 H ASP 103 H ASP 103 9.304 -11.418 1.456 768 HA ASP 103 HA ASP 103 10.646 -9.761 0.956 769 HB2 ASP 103 1HB ASP 103 11.976 -10.509 2.863 770 HB3 ASP 103 2HB ASP 103 12.925 -11.574 1.817 771 H ASN 104 H ASN 104 9.691 -10.766 -1.177 772 HA ASN 104 HA ASN 104 11.742 -10.286 -3.053 773 HB2 ASN 104 1HB ASN 104 11.440 -12.296 -4.283 774 HB3 ASN 104 2HB ASN 104 11.689 -12.806 -2.589 775 HD21 ASN 104 1HD2 ASN 104 9.416 -12.428 -5.122 776 HD22 ASN 104 2HD2 ASN 104 8.069 -13.056 -4.260 777 H GLU 105 H GLU 105 10.548 -10.479 -5.243 778 HA GLU 105 HA GLU 105 8.127 -8.932 -5.085 779 HB2 GLU 105 1HB GLU 105 10.142 -8.378 -6.239 780 HB3 GLU 105 2HB GLU 105 9.869 -9.731 -7.336 781 HG2 GLU 105 1HG GLU 105 7.834 -8.836 -8.087 782 HG3 GLU 105 2HG GLU 105 7.949 -7.513 -6.917 783 H VAL 106 H VAL 106 6.214 -9.903 -5.891 784 HA VAL 106 HA VAL 106 6.421 -12.734 -6.688 785 HB VAL 106 HB VAL 106 3.830 -11.342 -5.921 786 HG11 VAL 106 1HG1 VAL 106 4.639 -14.256 -6.114 787 HG12 VAL 106 2HG1 VAL 106 3.594 -13.393 -7.242 788 HG13 VAL 106 3HG1 VAL 106 3.069 -13.661 -5.579 789 HG21 VAL 106 3HG2 VAL 106 5.711 -12.982 -4.216 790 HG22 VAL 106 1HG2 VAL 106 4.117 -12.410 -3.711 791 HG23 VAL 106 2HG2 VAL 106 5.415 -11.255 -4.046 792 H GLN 107 H GLN 107 5.642 -13.527 -8.514 793 HA GLN 107 HA GLN 107 5.631 -11.644 -10.700 794 HB2 GLN 107 1HB GLN 107 5.505 -14.647 -10.944 795 HB3 GLN 107 2HB GLN 107 6.067 -13.480 -12.143 796 HG2 GLN 107 1HG GLN 107 8.020 -14.495 -11.340 797 HG3 GLN 107 2HG GLN 107 7.951 -12.962 -10.474 798 HE21 GLN 107 1HE2 GLN 107 9.095 -13.613 -8.680 799 HE22 GLN 107 2HE2 GLN 107 8.555 -14.821 -7.580 800 H TYR 108 H TYR 108 3.542 -14.119 -9.423 801 HA TYR 108 HA TYR 108 1.462 -14.874 -9.855 802 HD1 TYR 108 HD1 TYR 108 -0.393 -11.492 -11.706 803 HD2 TYR 108 HD2 TYR 108 2.099 -11.201 -8.299 804 HE1 TYR 108 HE1 TYR 108 0.019 -9.145 -12.229 805 HE2 TYR 108 HE2 TYR 108 2.545 -8.926 -8.761 806 HH TYR 108 HH TYR 108 0.784 -7.120 -11.101 807 HB2 TYR 108 1HB TYR 108 -0.386 -13.174 -9.952 808 HB3 TYR 108 2HB TYR 108 0.707 -13.054 -8.571 809 H CYS 109 H CYS 109 -0.577 -14.695 -11.192 810 HA CYS 109 HA CYS 109 0.055 -14.389 -14.001 811 HG CYS 109 HG CYS 109 -2.192 -17.781 -14.831 812 HB2 CYS 109 1HB CYS 109 0.475 -16.764 -13.425 813 HB3 CYS 109 2HB CYS 109 -1.137 -16.869 -12.710 814 H SER 110 H SER 110 -1.996 -14.244 -15.237 815 HA SER 110 HA SER 110 -3.885 -12.663 -13.898 816 HG SER 110 HG SER 110 -3.457 -13.667 -17.728 817 HB2 SER 110 1HB SER 110 -5.110 -12.950 -16.133 818 HB3 SER 110 2HB SER 110 -3.520 -12.182 -16.158 819 H SER 111 H SER 111 -3.707 -16.100 -14.406 820 HA SER 111 HA SER 111 -6.486 -16.550 -13.737 821 HG SER 111 HG SER 111 -3.692 -19.341 -14.534 822 HB2 SER 111 1HB SER 111 -5.691 -18.952 -13.890 823 HB3 SER 111 2HB SER 111 -5.545 -18.004 -15.381 824 H ASN 112 H ASN 112 -3.600 -16.034 -12.117 825 HA ASN 112 HA ASN 112 -4.218 -17.716 -9.841 826 HB2 ASN 112 1HB ASN 112 -1.863 -17.409 -10.499 827 HB3 ASN 112 2HB ASN 112 -2.029 -15.661 -10.257 828 HD21 ASN 112 1HD2 ASN 112 -1.623 -18.721 -8.761 829 HD22 ASN 112 2HD2 ASN 112 -1.345 -18.119 -7.151 830 H GLN 113 H GLN 113 -4.983 -16.883 -7.893 831 HA GLN 113 HA GLN 113 -6.788 -14.775 -7.970 832 HB2 GLN 113 1HB GLN 113 -6.767 -16.520 -6.216 833 HB3 GLN 113 2HB GLN 113 -5.328 -15.770 -5.514 834 HG2 GLN 113 1HG GLN 113 -6.718 -13.685 -5.247 835 HG3 GLN 113 2HG GLN 113 -8.127 -14.685 -5.626 836 HE21 GLN 113 1HE2 GLN 113 -5.741 -13.872 -3.340 837 HE22 GLN 113 2HE2 GLN 113 -6.396 -14.724 -1.991 838 H LEU 114 H LEU 114 -3.276 -14.602 -7.117 839 HA LEU 114 HA LEU 114 -3.396 -11.980 -6.030 840 HG LEU 114 HG LEU 114 -0.354 -11.482 -7.104 841 HB2 LEU 114 1HB LEU 114 -1.693 -13.613 -5.469 842 HB3 LEU 114 2HB LEU 114 -1.234 -13.728 -7.166 843 HD11 LEU 114 1HD1 LEU 114 -1.189 -11.464 -4.202 844 HD12 LEU 114 2HD1 LEU 114 -1.928 -10.505 -5.491 845 HD13 LEU 114 3HD1 LEU 114 -0.249 -10.220 -5.028 846 HD21 LEU 114 3HD2 LEU 114 0.552 -13.095 -4.756 847 HD22 LEU 114 1HD2 LEU 114 1.484 -11.872 -5.615 848 HD23 LEU 114 2HD2 LEU 114 1.018 -13.366 -6.434 849 H GLY 115 H GLY 115 -2.841 -13.374 -9.163 850 HA2 GLY 115 1HA GLY 115 -2.223 -10.842 -10.376 851 HA3 GLY 115 2HA GLY 115 -2.637 -12.322 -11.252 852 H GLN 116 H GLN 116 -5.225 -12.900 -10.119 853 HA GLN 116 HA GLN 116 -6.933 -11.422 -11.585 854 HB2 GLN 116 1HB GLN 116 -7.417 -12.877 -8.982 855 HB3 GLN 116 2HB GLN 116 -8.666 -12.372 -10.129 856 HG2 GLN 116 1HG GLN 116 -7.459 -13.720 -11.804 857 HG3 GLN 116 2HG GLN 116 -6.494 -14.371 -10.497 858 HE21 GLN 116 1HE2 GLN 116 -7.268 -15.931 -9.244 859 HE22 GLN 116 2HE2 GLN 116 -8.847 -16.641 -9.382 860 H VAL 117 H VAL 117 -5.827 -10.922 -8.326 861 HA VAL 117 HA VAL 117 -7.820 -9.001 -8.013 862 HB VAL 117 HB VAL 117 -5.811 -10.054 -6.070 863 HG11 VAL 117 1HG1 VAL 117 -5.672 -7.609 -5.888 864 HG12 VAL 117 2HG1 VAL 117 -6.400 -8.324 -4.432 865 HG13 VAL 117 3HG1 VAL 117 -7.414 -7.520 -5.652 866 HG21 VAL 117 3HG2 VAL 117 -7.880 -11.139 -6.241 867 HG22 VAL 117 1HG2 VAL 117 -8.750 -9.597 -6.224 868 HG23 VAL 117 2HG2 VAL 117 -7.972 -10.128 -4.764 869 H VAL 118 H VAL 118 -4.242 -8.922 -8.282 870 HA VAL 118 HA VAL 118 -3.893 -6.186 -8.297 871 HB VAL 118 HB VAL 118 -2.487 -8.263 -9.976 872 HG11 VAL 118 1HG1 VAL 118 -0.643 -6.590 -10.207 873 HG12 VAL 118 2HG1 VAL 118 -1.655 -5.396 -9.397 874 HG13 VAL 118 3HG1 VAL 118 -2.134 -6.033 -10.970 875 HG21 VAL 118 3HG2 VAL 118 -0.708 -8.064 -8.311 876 HG22 VAL 118 1HG2 VAL 118 -2.233 -8.588 -7.582 877 HG23 VAL 118 2HG2 VAL 118 -1.695 -6.906 -7.419 878 H ASP 119 H ASP 119 -5.121 -8.223 -10.856 879 HA ASP 119 HA ASP 119 -5.097 -6.274 -12.969 880 HB2 ASP 119 1HB ASP 119 -5.281 -8.727 -13.365 881 HB3 ASP 119 2HB ASP 119 -6.790 -8.737 -12.457 882 H TYR 120 H TYR 120 -7.375 -7.411 -10.630 883 HA TYR 120 HA TYR 120 -9.566 -5.816 -11.426 884 HD1 TYR 120 HD1 TYR 120 -12.079 -5.661 -9.607 885 HD2 TYR 120 HD2 TYR 120 -8.857 -6.600 -7.021 886 HE1 TYR 120 HE1 TYR 120 -13.145 -4.411 -7.803 887 HE2 TYR 120 HE2 TYR 120 -9.890 -5.371 -5.241 888 HH TYR 120 HH TYR 120 -13.090 -4.038 -5.558 889 HB2 TYR 120 1HB TYR 120 -10.392 -7.526 -10.067 890 HB3 TYR 120 2HB TYR 120 -8.923 -7.552 -9.081 891 H VAL 121 H VAL 121 -7.084 -5.365 -8.984 892 HA VAL 121 HA VAL 121 -8.156 -2.977 -7.970 893 HB VAL 121 HB VAL 121 -5.370 -4.179 -7.755 894 HG11 VAL 121 1HG1 VAL 121 -5.026 -2.704 -5.854 895 HG12 VAL 121 2HG1 VAL 121 -6.571 -1.921 -6.210 896 HG13 VAL 121 3HG1 VAL 121 -5.236 -1.806 -7.359 897 HG21 VAL 121 3HG2 VAL 121 -7.708 -4.186 -5.882 898 HG22 VAL 121 1HG2 VAL 121 -6.088 -4.763 -5.464 899 HG23 VAL 121 2HG2 VAL 121 -7.012 -5.557 -6.740 900 H ARG 122 H ARG 122 -5.967 -3.806 -10.493 901 HA ARG 122 HA ARG 122 -4.982 -1.211 -10.935 902 HE ARG 122 HE ARG 122 -1.785 -0.762 -14.541 903 HB2 ARG 122 1HB ARG 122 -3.888 -3.278 -11.745 904 HB3 ARG 122 2HB ARG 122 -5.218 -3.470 -12.891 905 HG2 ARG 122 1HG ARG 122 -4.547 -1.774 -14.199 906 HG3 ARG 122 2HG ARG 122 -3.779 -0.915 -12.848 907 HD2 ARG 122 1HD ARG 122 -1.987 -2.540 -12.827 908 HD3 ARG 122 2HD ARG 122 -2.751 -3.511 -14.070 909 HH11 ARG 122 1HH1 ARG 122 -1.985 -4.147 -15.563 910 HH12 ARG 122 2HH1 ARG 122 -0.921 -3.966 -16.876 911 HH21 ARG 122 1HH2 ARG 122 -0.358 -0.499 -16.315 912 HH22 ARG 122 2HH2 ARG 122 0.054 -1.796 -17.327 913 H LYS 123 H LYS 123 -7.883 -2.995 -12.104 914 HA LYS 123 HA LYS 123 -8.599 -1.000 -13.806 915 HB2 LYS 123 1HB LYS 123 -9.277 -3.248 -14.099 916 HB3 LYS 123 2HB LYS 123 -9.907 -3.289 -12.449 917 HG2 LYS 123 1HG LYS 123 -11.509 -1.985 -12.844 918 HG3 LYS 123 2HG LYS 123 -10.996 -1.384 -14.443 919 HD2 LYS 123 1HD LYS 123 -11.285 -3.667 -15.317 920 HD3 LYS 123 2HD LYS 123 -11.911 -4.193 -13.751 921 HE2 LYS 123 1HE LYS 123 -13.139 -2.064 -15.512 922 HE3 LYS 123 2HE LYS 123 -13.732 -3.717 -15.368 923 HZ1 LYS 123 3HZ LYS 123 -14.971 -2.145 -13.968 924 HZ2 LYS 123 1HZ LYS 123 -13.568 -1.776 -13.117 925 HZ3 LYS 123 2HZ LYS 123 -14.198 -3.331 -13.048 926 H GLN 124 H GLN 124 -8.763 -1.460 -10.360 927 HA GLN 124 HA GLN 124 -11.033 0.179 -9.943 928 HB2 GLN 124 1HB GLN 124 -8.859 -0.480 -7.971 929 HB3 GLN 124 2HB GLN 124 -10.270 0.495 -7.563 930 HG2 GLN 124 1HG GLN 124 -10.006 -2.425 -7.878 931 HG3 GLN 124 2HG GLN 124 -11.049 -1.396 -6.882 932 HE21 GLN 124 1HE2 GLN 124 -10.626 -2.888 -9.852 933 HE22 GLN 124 2HE2 GLN 124 -12.243 -2.854 -10.397 934 H ALA 125 H ALA 125 -7.585 0.546 -9.648 935 HA ALA 125 HA ALA 125 -7.501 3.317 -8.973 936 HB1 ALA 125 3HB ALA 125 -5.278 1.562 -9.997 937 HB2 ALA 125 1HB ALA 125 -5.856 1.658 -8.320 938 HB3 ALA 125 2HB ALA 125 -5.160 3.089 -9.082 939 H SER 126 H SER 126 -7.192 1.575 -12.005 940 HA SER 126 HA SER 126 -6.787 4.021 -13.436 941 HG SER 126 HG SER 126 -5.884 0.977 -13.596 942 HB2 SER 126 1HB SER 126 -7.787 1.367 -14.510 943 HB3 SER 126 2HB SER 126 -7.090 2.687 -15.455 Start of MODEL 9 1 HA PRO 5 HA PRO 5 11.404 -18.530 -1.021 2 HB2 PRO 5 1HB PRO 5 10.610 -21.119 -2.242 3 HB3 PRO 5 2HB PRO 5 12.168 -20.270 -2.302 4 HG2 PRO 5 1HG PRO 5 11.818 -22.391 -0.688 5 HG3 PRO 5 2HG PRO 5 12.774 -20.980 -0.148 6 HD2 PRO 5 1HD PRO 5 10.050 -21.904 0.543 7 HD3 PRO 5 2HD PRO 5 11.277 -21.081 1.542 8 H VAL 6 H VAL 6 8.585 -20.497 -1.832 9 HA VAL 6 HA VAL 6 7.970 -18.329 -3.651 10 HB VAL 6 HB VAL 6 8.088 -20.742 -4.450 11 HG11 VAL 6 1HG1 VAL 6 5.455 -20.942 -3.043 12 HG12 VAL 6 2HG1 VAL 6 6.916 -21.896 -2.749 13 HG13 VAL 6 3HG1 VAL 6 6.028 -22.080 -4.262 14 HG21 VAL 6 3HG2 VAL 6 7.230 -18.948 -5.714 15 HG22 VAL 6 1HG2 VAL 6 5.628 -19.140 -5.006 16 HG23 VAL 6 2HG2 VAL 6 6.292 -20.421 -6.053 17 H CYS 7 H CYS 7 5.707 -17.599 -3.747 18 HA CYS 7 HA CYS 7 4.954 -17.288 -1.001 19 HB2 CYS 7 1HB CYS 7 5.152 -15.292 -2.536 20 HB3 CYS 7 2HB CYS 7 3.637 -15.855 -3.266 21 H ARG 8 H ARG 8 3.683 -18.653 -0.207 22 HA ARG 8 HA ARG 8 1.349 -19.550 -1.723 23 HE ARG 8 HE ARG 8 1.142 -23.354 -1.583 24 HB2 ARG 8 1HB ARG 8 2.841 -20.853 0.561 25 HB3 ARG 8 2HB ARG 8 1.338 -21.479 -0.135 26 HG2 ARG 8 1HG ARG 8 3.841 -20.997 -1.676 27 HG3 ARG 8 2HG ARG 8 3.419 -22.590 -1.004 28 HD2 ARG 8 1HD ARG 8 1.875 -20.951 -3.009 29 HD3 ARG 8 2HD ARG 8 2.823 -22.391 -3.381 30 HH11 ARG 8 1HH1 ARG 8 0.454 -21.356 -4.415 31 HH12 ARG 8 2HH1 ARG 8 -1.105 -21.972 -4.665 32 HH21 ARG 8 1HH2 ARG 8 -1.003 -24.209 -1.939 33 HH22 ARG 8 2HH2 ARG 8 -1.960 -23.622 -3.210 34 H HIS 9 H HIS 9 1.918 -17.134 -0.242 35 HA HIS 9 HA HIS 9 0.068 -17.217 2.119 36 HD2 HIS 9 HD2 HIS 9 2.031 -17.677 4.297 37 HE1 HIS 9 HE1 HIS 9 5.968 -16.765 3.039 38 HE2 HIS 9 HE2 HIS 9 4.563 -18.097 4.692 39 HB2 HIS 9 1HB HIS 9 2.036 -15.051 1.352 40 HB3 HIS 9 2HB HIS 9 1.107 -15.182 2.845 41 H ILE 10 H ILE 10 -0.433 -17.032 -0.868 42 HA ILE 10 HA ILE 10 -0.770 -14.466 -1.604 43 HB ILE 10 HB ILE 10 -2.312 -16.869 -2.594 44 HG12 ILE 10 1HG1 ILE 10 0.120 -17.012 -2.885 45 HG13 ILE 10 2HG1 ILE 10 -0.687 -16.820 -4.455 46 HG21 ILE 10 1HG2 ILE 10 -3.592 -14.916 -3.215 47 HG22 ILE 10 2HG2 ILE 10 -2.808 -15.588 -4.644 48 HG23 ILE 10 3HG2 ILE 10 -2.150 -14.142 -3.874 49 HD11 ILE 10 3HD1 ILE 10 -0.041 -14.458 -4.412 50 HD12 ILE 10 1HD1 ILE 10 1.349 -15.564 -4.290 51 HD13 ILE 10 2HD1 ILE 10 0.736 -14.759 -2.842 52 H ARG 11 H ARG 11 -3.190 -16.802 -0.587 53 HA ARG 11 HA ARG 11 -5.446 -15.136 -0.344 54 HE ARG 11 HE ARG 11 -3.719 -19.042 -0.630 55 HB2 ARG 11 1HB ARG 11 -4.685 -17.718 0.944 56 HB3 ARG 11 2HB ARG 11 -6.221 -16.943 1.229 57 HG2 ARG 11 1HG ARG 11 -6.241 -18.790 -0.383 58 HG3 ARG 11 2HG ARG 11 -6.902 -17.277 -1.054 59 HD2 ARG 11 1HD ARG 11 -5.597 -18.497 -2.671 60 HD3 ARG 11 2HD ARG 11 -4.750 -17.014 -2.248 61 HH11 ARG 11 1HH1 ARG 11 -4.011 -18.439 -4.082 62 HH12 ARG 11 2HH1 ARG 11 -2.535 -19.170 -4.502 63 HH21 ARG 11 1HH2 ARG 11 -1.644 -20.070 -1.208 64 HH22 ARG 11 2HH2 ARG 11 -1.149 -20.065 -2.846 65 H LYS 12 H LYS 12 -2.802 -15.780 1.788 66 HA LYS 12 HA LYS 12 -4.082 -14.892 4.156 67 HB2 LYS 12 1HB LYS 12 -1.140 -15.216 3.576 68 HB3 LYS 12 2HB LYS 12 -1.822 -14.889 5.164 69 HG2 LYS 12 1HG LYS 12 -3.095 -16.983 5.021 70 HG3 LYS 12 2HG LYS 12 -2.308 -17.318 3.470 71 HD2 LYS 12 1HD LYS 12 -0.138 -17.339 4.578 72 HD3 LYS 12 2HD LYS 12 -0.915 -16.965 6.122 73 HE2 LYS 12 1HE LYS 12 -2.225 -19.042 5.925 74 HE3 LYS 12 2HE LYS 12 -1.361 -19.420 4.439 75 HZ1 LYS 12 3HZ LYS 12 -0.485 -20.578 6.339 76 HZ2 LYS 12 1HZ LYS 12 -0.150 -19.138 7.133 77 HZ3 LYS 12 2HZ LYS 12 0.683 -19.545 5.722 78 H GLY 13 H GLY 13 -2.433 -13.322 1.607 79 HA2 GLY 13 1HA GLY 13 -2.560 -10.765 3.090 80 HA3 GLY 13 2HA GLY 13 -1.288 -11.108 1.963 81 H LEU 14 H LEU 14 -4.162 -12.382 0.862 82 HA LEU 14 HA LEU 14 -4.927 -9.906 -0.447 83 HG LEU 14 HG LEU 14 -5.114 -9.996 -2.967 84 HB2 LEU 14 1HB LEU 14 -3.509 -11.507 -1.826 85 HB3 LEU 14 2HB LEU 14 -4.829 -12.657 -1.659 86 HD11 LEU 14 1HD1 LEU 14 -4.877 -11.254 -5.081 87 HD12 LEU 14 2HD1 LEU 14 -4.420 -12.673 -4.116 88 HD13 LEU 14 3HD1 LEU 14 -3.411 -11.232 -4.097 89 HD21 LEU 14 3HD2 LEU 14 -6.920 -11.293 -4.170 90 HD22 LEU 14 1HD2 LEU 14 -7.269 -10.868 -2.475 91 HD23 LEU 14 2HD2 LEU 14 -6.746 -12.493 -2.900 92 H GLU 15 H GLU 15 -6.921 -9.563 0.193 93 HA GLU 15 HA GLU 15 -8.391 -11.895 1.035 94 HB2 GLU 15 1HB GLU 15 -7.490 -10.331 2.681 95 HB3 GLU 15 2HB GLU 15 -8.663 -9.122 2.156 96 HG2 GLU 15 1HG GLU 15 -9.288 -10.150 4.155 97 HG3 GLU 15 2HG GLU 15 -10.409 -10.643 2.881 98 H GLN 16 H GLN 16 -9.695 -11.971 -1.029 99 HA GLN 16 HA GLN 16 -10.130 -9.845 -2.700 100 HB2 GLN 16 1HB GLN 16 -12.024 -12.173 -2.635 101 HB3 GLN 16 2HB GLN 16 -11.669 -11.043 -3.937 102 HG2 GLN 16 1HG GLN 16 -9.387 -11.927 -4.086 103 HG3 GLN 16 2HG GLN 16 -9.799 -13.101 -2.826 104 HE21 GLN 16 1HE2 GLN 16 -9.530 -14.897 -4.110 105 HE22 GLN 16 2HE2 GLN 16 -10.585 -15.283 -5.429 106 H GLY 17 H GLY 17 -12.368 -11.134 -0.311 107 HA2 GLY 17 1HA GLY 17 -14.643 -9.617 -1.168 108 HA3 GLY 17 2HA GLY 17 -14.493 -10.468 0.376 109 H ASN 18 H ASN 18 -12.167 -9.141 1.207 110 HA ASN 18 HA ASN 18 -13.292 -6.832 2.455 111 HB2 ASN 18 1HB ASN 18 -11.615 -8.257 3.564 112 HB3 ASN 18 2HB ASN 18 -10.439 -7.838 2.330 113 HD21 ASN 18 1HD2 ASN 18 -8.999 -6.989 3.694 114 HD22 ASN 18 2HD2 ASN 18 -9.260 -5.534 4.596 115 H LEU 19 H LEU 19 -11.027 -7.463 -0.119 116 HA LEU 19 HA LEU 19 -9.972 -4.956 -0.646 117 HG LEU 19 HG LEU 19 -8.459 -7.905 -2.232 118 HB2 LEU 19 1HB LEU 19 -10.544 -7.300 -2.391 119 HB3 LEU 19 2HB LEU 19 -9.915 -5.801 -3.066 120 HD11 LEU 19 1HD1 LEU 19 -7.650 -6.174 -3.642 121 HD12 LEU 19 2HD1 LEU 19 -6.541 -6.271 -2.235 122 HD13 LEU 19 3HD1 LEU 19 -7.768 -4.990 -2.332 123 HD21 LEU 19 3HD2 LEU 19 -8.925 -7.491 0.098 124 HD22 LEU 19 1HD2 LEU 19 -8.259 -5.856 -0.029 125 HD23 LEU 19 2HD2 LEU 19 -7.215 -7.270 -0.273 126 H LYS 20 H LYS 20 -13.035 -6.330 -1.900 127 HA LYS 20 HA LYS 20 -13.645 -4.193 -3.674 128 HB2 LYS 20 1HB LYS 20 -15.652 -5.766 -2.065 129 HB3 LYS 20 2HB LYS 20 -15.833 -5.146 -3.695 130 HG2 LYS 20 1HG LYS 20 -14.076 -7.494 -2.905 131 HG3 LYS 20 2HG LYS 20 -15.695 -7.594 -3.621 132 HD2 LYS 20 1HD LYS 20 -13.356 -6.261 -4.908 133 HD3 LYS 20 2HD LYS 20 -13.746 -7.978 -5.113 134 HE2 LYS 20 1HE LYS 20 -15.594 -5.686 -5.772 135 HE3 LYS 20 2HE LYS 20 -14.549 -6.556 -6.911 136 HZ1 LYS 20 3HZ LYS 20 -16.760 -7.432 -7.027 137 HZ2 LYS 20 1HZ LYS 20 -16.803 -7.707 -5.354 138 HZ3 LYS 20 2HZ LYS 20 -15.757 -8.599 -6.309 139 H LYS 21 H LYS 21 -14.057 -4.548 -0.230 140 HA LYS 21 HA LYS 21 -15.879 -2.311 -0.055 141 HB2 LYS 21 1HB LYS 21 -14.548 -4.017 2.033 142 HB3 LYS 21 2HB LYS 21 -15.884 -2.899 2.308 143 HG2 LYS 21 1HG LYS 21 -17.396 -4.231 1.156 144 HG3 LYS 21 2HG LYS 21 -16.102 -5.130 0.343 145 HD2 LYS 21 1HD LYS 21 -15.451 -6.079 2.435 146 HD3 LYS 21 2HD LYS 21 -16.774 -5.241 3.277 147 HE2 LYS 21 1HE LYS 21 -18.383 -6.385 1.881 148 HE3 LYS 21 2HE LYS 21 -17.084 -7.176 0.992 149 HZ1 LYS 21 3HZ LYS 21 -16.440 -8.275 3.110 150 HZ2 LYS 21 1HZ LYS 21 -17.994 -8.690 2.603 151 HZ3 LYS 21 2HZ LYS 21 -17.772 -7.589 3.857 152 H ALA 22 H ALA 22 -12.487 -3.049 0.250 153 HA ALA 22 HA ALA 22 -11.857 -0.783 1.852 154 HB1 ALA 22 3HB ALA 22 -10.128 -2.698 0.322 155 HB2 ALA 22 1HB ALA 22 -10.622 -2.873 2.006 156 HB3 ALA 22 2HB ALA 22 -9.584 -1.529 1.528 157 H LEU 23 H LEU 23 -11.769 -1.708 -1.541 158 HA LEU 23 HA LEU 23 -10.367 0.735 -2.318 159 HG LEU 23 HG LEU 23 -10.472 -2.625 -3.163 160 HB2 LEU 23 1HB LEU 23 -11.834 -1.082 -4.179 161 HB3 LEU 23 2HB LEU 23 -10.489 -0.001 -4.536 162 HD11 LEU 23 1HD1 LEU 23 -10.400 -2.836 -5.475 163 HD12 LEU 23 2HD1 LEU 23 -8.829 -3.248 -4.781 164 HD13 LEU 23 3HD1 LEU 23 -9.045 -1.709 -5.608 165 HD21 LEU 23 3HD2 LEU 23 -9.045 -1.235 -1.808 166 HD22 LEU 23 1HD2 LEU 23 -8.114 -0.722 -3.218 167 HD23 LEU 23 2HD2 LEU 23 -8.078 -2.410 -2.656 168 H VAL 24 H VAL 24 -13.533 -0.045 -1.652 169 HA VAL 24 HA VAL 24 -14.823 2.029 -3.013 170 HB VAL 24 HB VAL 24 -15.244 1.045 -0.179 171 HG11 VAL 24 1HG1 VAL 24 -17.434 2.150 -0.272 172 HG12 VAL 24 2HG1 VAL 24 -16.987 2.835 -1.851 173 HG13 VAL 24 3HG1 VAL 24 -16.070 3.272 -0.406 174 HG21 VAL 24 3HG2 VAL 24 -15.630 -0.623 -1.882 175 HG22 VAL 24 1HG2 VAL 24 -16.711 0.475 -2.742 176 HG23 VAL 24 2HG2 VAL 24 -17.157 -0.136 -1.143 177 H ASN 25 H ASN 25 -12.839 2.013 -0.126 178 HA ASN 25 HA ASN 25 -13.351 4.856 0.367 179 HB2 ASN 25 1HB ASN 25 -12.328 2.647 2.127 180 HB3 ASN 25 2HB ASN 25 -12.358 4.346 2.635 181 HD21 ASN 25 1HD2 ASN 25 -14.219 1.432 2.054 182 HD22 ASN 25 2HD2 ASN 25 -15.698 2.051 2.690 183 H VAL 26 H VAL 26 -11.280 3.512 -1.529 184 HA VAL 26 HA VAL 26 -8.780 4.293 -0.242 185 HB VAL 26 HB VAL 26 -7.688 3.679 -2.371 186 HG11 VAL 26 1HG1 VAL 26 -7.659 2.122 -0.653 187 HG12 VAL 26 2HG1 VAL 26 -8.061 1.276 -2.162 188 HG13 VAL 26 3HG1 VAL 26 -9.328 1.639 -0.966 189 HG21 VAL 26 3HG2 VAL 26 -8.940 2.356 -3.984 190 HG22 VAL 26 1HG2 VAL 26 -9.481 4.030 -3.891 191 HG23 VAL 26 2HG2 VAL 26 -10.429 2.758 -3.124 192 H GLU 27 H GLU 27 -7.323 5.667 -0.993 193 HA GLU 27 HA GLU 27 -8.069 7.446 -3.148 194 HB2 GLU 27 1HB GLU 27 -6.144 8.841 -2.228 195 HB3 GLU 27 2HB GLU 27 -7.696 9.031 -1.457 196 HG2 GLU 27 1HG GLU 27 -5.671 7.108 -0.437 197 HG3 GLU 27 2HG GLU 27 -5.541 8.859 -0.208 198 H TRP 28 H TRP 28 -7.354 6.501 -4.646 199 HA TRP 28 HA TRP 28 -5.169 4.802 -4.845 200 HD1 TRP 28 HD1 TRP 28 -8.877 4.818 -7.040 201 HE1 TRP 28 HE1 TRP 28 -9.552 2.374 -6.574 202 HE3 TRP 28 HE3 TRP 28 -4.358 3.033 -5.665 203 HZ2 TRP 28 HZ2 TRP 28 -8.301 0.059 -5.755 204 HZ3 TRP 28 HZ3 TRP 28 -4.171 0.686 -5.023 205 HH2 TRP 28 HH2 TRP 28 -6.097 -0.764 -5.055 206 HB2 TRP 28 1HB TRP 28 -6.777 6.197 -6.839 207 HB3 TRP 28 2HB TRP 28 -5.408 5.228 -7.389 208 H ASN 29 H ASN 29 -3.175 4.958 -5.024 209 HA ASN 29 HA ASN 29 -1.105 5.671 -5.268 210 HB2 ASN 29 1HB ASN 29 -2.522 7.257 -7.304 211 HB3 ASN 29 2HB ASN 29 -0.809 7.676 -6.984 212 HD21 ASN 29 1HD2 ASN 29 0.678 6.056 -7.375 213 HD22 ASN 29 2HD2 ASN 29 0.345 4.721 -8.408 214 H ILE 30 H ILE 30 -2.959 6.769 -3.323 215 HA ILE 30 HA ILE 30 -1.258 8.945 -2.435 216 HB ILE 30 HB ILE 30 -4.225 8.546 -2.002 217 HG12 ILE 30 1HG1 ILE 30 -2.756 10.774 -3.377 218 HG13 ILE 30 2HG1 ILE 30 -3.614 9.478 -4.229 219 HG21 ILE 30 1HG2 ILE 30 -4.126 10.719 -0.723 220 HG22 ILE 30 2HG2 ILE 30 -2.378 10.660 -0.861 221 HG23 ILE 30 3HG2 ILE 30 -3.225 9.431 0.048 222 HD11 ILE 30 3HD1 ILE 30 -5.702 10.344 -3.358 223 HD12 ILE 30 1HD1 ILE 30 -4.798 11.600 -4.193 224 HD13 ILE 30 2HD1 ILE 30 -4.821 11.559 -2.420 225 H CYS 31 H CYS 31 -0.014 7.721 -1.018 226 HA CYS 31 HA CYS 31 -0.978 5.690 0.631 227 HB2 CYS 31 1HB CYS 31 1.372 5.892 0.733 228 HB3 CYS 31 2HB CYS 31 1.382 7.591 1.145 229 H GLN 32 H GLN 32 -2.703 5.784 1.611 230 HA GLN 32 HA GLN 32 -4.218 7.934 2.514 231 HB2 GLN 32 1HB GLN 32 -4.235 5.306 3.972 232 HB3 GLN 32 2HB GLN 32 -5.619 6.326 3.581 233 HG2 GLN 32 1HG GLN 32 -5.215 5.766 1.223 234 HG3 GLN 32 2HG GLN 32 -4.074 4.542 1.800 235 HE21 GLN 32 1HE2 GLN 32 -7.383 5.493 1.688 236 HE22 GLN 32 2HE2 GLN 32 -7.998 3.975 2.278 237 H ASP 33 H ASP 33 -1.913 5.945 4.023 238 HA ASP 33 HA ASP 33 -2.211 6.926 6.659 239 HB2 ASP 33 1HB ASP 33 -1.280 4.688 5.997 240 HB3 ASP 33 2HB ASP 33 0.224 5.524 5.589 241 H CYS 34 H CYS 34 -0.539 8.444 3.907 242 HA CYS 34 HA CYS 34 1.175 9.985 5.542 243 HB2 CYS 34 1HB CYS 34 0.441 9.660 2.733 244 HB3 CYS 34 2HB CYS 34 0.968 11.258 3.214 245 H LYS 35 H LYS 35 -1.997 9.976 4.350 246 HA LYS 35 HA LYS 35 -2.417 12.839 4.565 247 HB2 LYS 35 1HB LYS 35 -4.559 10.733 4.360 248 HB3 LYS 35 2HB LYS 35 -4.629 12.413 3.814 249 HG2 LYS 35 1HG LYS 35 -3.116 10.172 2.699 250 HG3 LYS 35 2HG LYS 35 -4.612 10.981 2.145 251 HD2 LYS 35 1HD LYS 35 -1.936 12.360 2.460 252 HD3 LYS 35 2HD LYS 35 -2.469 11.708 0.912 253 HE2 LYS 35 1HE LYS 35 -3.904 13.843 2.505 254 HE3 LYS 35 2HE LYS 35 -2.857 14.150 1.128 255 HZ1 LYS 35 3HZ LYS 35 -4.337 12.985 -0.291 256 HZ2 LYS 35 1HZ LYS 35 -5.219 14.131 0.541 257 HZ3 LYS 35 2HZ LYS 35 -5.341 12.512 0.981 258 H THR 36 H THR 36 -3.569 9.850 6.077 259 HA THR 36 HA THR 36 -4.904 11.361 7.840 260 HB THR 36 HB THR 36 -5.480 9.097 8.962 261 HG1 THR 36 HG1 THR 36 -3.846 7.821 8.288 262 HG21 THR 36 3HG2 THR 36 -6.910 10.261 7.386 263 HG22 THR 36 1HG2 THR 36 -6.951 8.518 7.075 264 HG23 THR 36 2HG2 THR 36 -5.985 9.590 6.043 265 H ASP 37 H ASP 37 -1.782 10.800 7.685 266 HA ASP 37 HA ASP 37 -0.783 9.458 9.875 267 HB2 ASP 37 1HB ASP 37 0.556 10.198 7.887 268 HB3 ASP 37 2HB ASP 37 0.551 11.825 8.569 269 H ASN 38 H ASN 38 -1.575 12.908 9.579 270 HA ASN 38 HA ASN 38 -1.501 14.632 11.002 271 HB2 ASN 38 1HB ASN 38 -2.499 12.410 12.817 272 HB3 ASN 38 2HB ASN 38 -2.399 14.105 13.328 273 HD21 ASN 38 1HD2 ASN 38 -4.077 11.822 11.272 274 HD22 ASN 38 2HD2 ASN 38 -5.382 12.913 10.891 275 H LYS 39 H LYS 39 -0.783 14.247 14.019 276 HA LYS 39 HA LYS 39 0.945 14.607 15.331 277 HB2 LYS 39 1HB LYS 39 2.422 12.928 13.338 278 HB3 LYS 39 2HB LYS 39 2.969 13.333 14.968 279 HG2 LYS 39 1HG LYS 39 1.329 12.014 15.972 280 HG3 LYS 39 2HG LYS 39 0.399 11.893 14.474 281 HD2 LYS 39 1HD LYS 39 3.166 10.927 14.730 282 HD3 LYS 39 2HD LYS 39 1.759 9.886 15.139 283 HE2 LYS 39 1HE LYS 39 0.952 10.216 12.827 284 HE3 LYS 39 2HE LYS 39 2.354 11.203 12.465 285 HZ1 LYS 39 3HZ LYS 39 3.760 9.320 12.716 286 HZ2 LYS 39 1HZ LYS 39 2.529 8.982 11.634 287 HZ3 LYS 39 2HZ LYS 39 2.491 8.321 13.205 288 H VAL 40 H VAL 40 2.436 14.497 12.245 289 HA VAL 40 HA VAL 40 4.215 16.713 12.774 290 HB VAL 40 HB VAL 40 3.759 15.473 10.083 291 HG11 VAL 40 1HG1 VAL 40 6.223 16.531 11.430 292 HG12 VAL 40 2HG1 VAL 40 5.277 17.322 10.169 293 HG13 VAL 40 3HG1 VAL 40 6.163 15.840 9.809 294 HG21 VAL 40 3HG2 VAL 40 5.319 13.657 10.621 295 HG22 VAL 40 1HG2 VAL 40 3.864 13.592 11.618 296 HG23 VAL 40 2HG2 VAL 40 5.361 14.206 12.303 297 H LYS 41 H LYS 41 4.010 18.766 11.903 298 HA LYS 41 HA LYS 41 1.455 19.666 11.155 299 HB2 LYS 41 1HB LYS 41 4.138 21.025 10.995 300 HB3 LYS 41 2HB LYS 41 2.647 21.801 10.461 301 HG2 LYS 41 1HG LYS 41 1.762 21.599 12.754 302 HG3 LYS 41 2HG LYS 41 3.288 20.861 13.251 303 HD2 LYS 41 1HD LYS 41 4.504 22.871 12.640 304 HD3 LYS 41 2HD LYS 41 3.025 23.613 12.041 305 HE2 LYS 41 1HE LYS 41 3.486 22.776 14.905 306 HE3 LYS 41 2HE LYS 41 3.733 24.409 14.300 307 HZ1 LYS 41 3HZ LYS 41 1.583 24.237 15.348 308 HZ2 LYS 41 1HZ LYS 41 1.134 22.941 14.375 309 HZ3 LYS 41 2HZ LYS 41 1.342 24.468 13.712 310 H ASP 42 H ASP 42 4.319 18.962 9.177 311 HA ASP 42 HA ASP 42 2.617 19.422 6.802 312 HB2 ASP 42 1HB ASP 42 5.589 19.660 6.637 313 HB3 ASP 42 2HB ASP 42 4.339 20.344 5.626 314 H LYS 43 H LYS 43 3.081 18.069 4.957 315 HA LYS 43 HA LYS 43 4.376 15.583 5.689 316 HB2 LYS 43 1HB LYS 43 2.129 16.222 3.803 317 HB3 LYS 43 2HB LYS 43 3.024 14.703 3.731 318 HG2 LYS 43 1HG LYS 43 0.908 14.614 4.817 319 HG3 LYS 43 2HG LYS 43 2.222 14.046 5.878 320 HD2 LYS 43 1HD LYS 43 2.043 16.271 7.002 321 HD3 LYS 43 2HD LYS 43 0.696 16.665 5.932 322 HE2 LYS 43 1HE LYS 43 0.817 14.299 7.732 323 HE3 LYS 43 2HE LYS 43 0.001 15.811 8.180 324 HZ1 LYS 43 3HZ LYS 43 -1.380 15.431 6.109 325 HZ2 LYS 43 1HZ LYS 43 -1.648 14.299 7.326 326 HZ3 LYS 43 2HZ LYS 43 -0.692 13.903 6.001 327 H ALA 44 H ALA 44 3.803 17.582 2.760 328 HA ALA 44 HA ALA 44 6.312 16.444 1.692 329 HB1 ALA 44 3HB ALA 44 4.353 15.457 0.607 330 HB2 ALA 44 1HB ALA 44 5.344 16.373 -0.528 331 HB3 ALA 44 2HB ALA 44 3.839 17.057 0.081 332 H GLU 45 H GLU 45 4.354 19.292 1.986 333 HA GLU 45 HA GLU 45 4.770 21.449 1.786 334 HB2 GLU 45 1HB GLU 45 7.609 20.486 1.840 335 HB3 GLU 45 2HB GLU 45 7.176 22.205 1.837 336 HG2 GLU 45 1HG GLU 45 6.318 20.168 3.873 337 HG3 GLU 45 2HG GLU 45 7.596 21.367 4.093 338 H GLU 46 H GLU 46 4.363 19.887 -0.624 339 HA GLU 46 HA GLU 46 4.172 19.987 -2.798 340 HB2 GLU 46 1HB GLU 46 3.403 22.062 -3.764 341 HB3 GLU 46 2HB GLU 46 2.653 21.701 -2.211 342 HG2 GLU 46 1HG GLU 46 3.932 23.388 -1.124 343 HG3 GLU 46 2HG GLU 46 4.929 23.634 -2.560 344 H GLU 47 H GLU 47 6.807 22.126 -2.038 345 HA GLU 47 HA GLU 47 7.710 22.469 -4.685 346 HB2 GLU 47 1HB GLU 47 8.361 24.017 -2.990 347 HB3 GLU 47 2HB GLU 47 9.066 22.730 -2.009 348 HG2 GLU 47 1HG GLU 47 10.804 22.422 -3.581 349 HG3 GLU 47 2HG GLU 47 10.075 23.602 -4.689 350 H THR 48 H THR 48 9.014 20.447 -2.083 351 HA THR 48 HA THR 48 10.249 18.789 -4.131 352 HB THR 48 HB THR 48 10.843 18.823 -1.144 353 HG1 THR 48 HG1 THR 48 11.725 20.692 -1.570 354 HG21 THR 48 3HG2 THR 48 12.452 17.852 -3.527 355 HG22 THR 48 1HG2 THR 48 11.633 16.822 -2.357 356 HG23 THR 48 2HG2 THR 48 12.996 17.823 -1.852 357 H GLU 49 H GLU 49 7.555 18.459 -3.954 358 HA GLU 49 HA GLU 49 7.054 16.339 -2.105 359 HB2 GLU 49 1HB GLU 49 4.773 16.172 -3.093 360 HB3 GLU 49 2HB GLU 49 5.164 17.781 -2.485 361 HG2 GLU 49 1HG GLU 49 5.513 18.570 -4.710 362 HG3 GLU 49 2HG GLU 49 5.294 16.938 -5.349 363 H GLU 50 H GLU 50 8.362 14.806 -2.520 364 HA GLU 50 HA GLU 50 8.798 13.668 -5.076 365 HB2 GLU 50 1HB GLU 50 9.425 12.680 -2.301 366 HB3 GLU 50 2HB GLU 50 9.866 11.801 -3.755 367 HG2 GLU 50 1HG GLU 50 10.778 14.576 -3.028 368 HG3 GLU 50 2HG GLU 50 11.737 13.102 -2.890 369 H LYS 51 H LYS 51 8.314 11.423 -5.576 370 HA LYS 51 HA LYS 51 5.776 10.701 -4.513 371 HB2 LYS 51 1HB LYS 51 5.329 9.757 -6.916 372 HB3 LYS 51 2HB LYS 51 4.959 11.445 -6.552 373 HG2 LYS 51 1HG LYS 51 7.479 10.457 -7.812 374 HG3 LYS 51 2HG LYS 51 6.047 10.864 -8.774 375 HD2 LYS 51 1HD LYS 51 7.463 12.681 -6.872 376 HD3 LYS 51 2HD LYS 51 7.744 12.722 -8.629 377 HE2 LYS 51 1HE LYS 51 5.389 13.375 -8.950 378 HE3 LYS 51 2HE LYS 51 5.097 13.266 -7.219 379 HZ1 LYS 51 3HZ LYS 51 6.936 15.211 -8.527 380 HZ2 LYS 51 1HZ LYS 51 6.631 15.107 -6.876 381 HZ3 LYS 51 2HZ LYS 51 5.408 15.547 -7.922 382 HA PRO 52 HA PRO 52 8.502 7.221 -3.818 383 HB2 PRO 52 1HB PRO 52 7.186 6.458 -1.573 384 HB3 PRO 52 2HB PRO 52 8.261 7.902 -1.611 385 HG2 PRO 52 1HG PRO 52 5.291 7.677 -1.812 386 HG3 PRO 52 2HG PRO 52 6.262 8.733 -0.766 387 HD2 PRO 52 1HD PRO 52 5.222 9.568 -3.126 388 HD3 PRO 52 2HD PRO 52 6.773 10.158 -2.455 389 H SER 53 H SER 53 7.990 4.857 -3.582 390 HA SER 53 HA SER 53 6.005 4.062 -5.318 391 HG SER 53 HG SER 53 8.883 2.761 -3.278 392 HB2 SER 53 1HB SER 53 6.573 1.808 -4.266 393 HB3 SER 53 2HB SER 53 7.898 2.683 -5.059 394 H VAL 54 H VAL 54 4.041 3.538 -4.961 395 HA VAL 54 HA VAL 54 3.055 3.860 -2.215 396 HB VAL 54 HB VAL 54 1.416 4.445 -4.744 397 HG11 VAL 54 1HG1 VAL 54 0.158 3.423 -2.870 398 HG12 VAL 54 2HG1 VAL 54 -0.340 5.014 -3.421 399 HG13 VAL 54 3HG1 VAL 54 0.572 4.854 -1.899 400 HG21 VAL 54 3HG2 VAL 54 3.148 6.107 -4.113 401 HG22 VAL 54 1HG2 VAL 54 2.375 6.248 -2.536 402 HG23 VAL 54 2HG2 VAL 54 1.475 6.703 -3.992 403 H TRP 55 H TRP 55 2.781 2.063 -1.405 404 HA TRP 55 HA TRP 55 2.090 -0.224 -3.053 405 HD1 TRP 55 HD1 TRP 55 5.307 1.344 -1.099 406 HE1 TRP 55 HE1 TRP 55 7.416 0.696 -2.412 407 HE3 TRP 55 HE3 TRP 55 3.731 -3.105 -3.030 408 HZ2 TRP 55 HZ2 TRP 55 8.310 -1.428 -4.018 409 HZ3 TRP 55 HZ3 TRP 55 5.280 -4.394 -4.443 410 HH2 TRP 55 HH2 TRP 55 7.519 -3.570 -4.931 411 HB2 TRP 55 1HB TRP 55 3.234 -0.090 -0.263 412 HB3 TRP 55 2HB TRP 55 2.880 -1.580 -1.143 413 H LEU 56 H LEU 56 0.277 -1.015 -2.981 414 HA LEU 56 HA LEU 56 -1.690 -0.231 -0.952 415 HG LEU 56 HG LEU 56 -3.711 -1.919 -1.428 416 HB2 LEU 56 1HB LEU 56 -2.490 0.047 -3.177 417 HB3 LEU 56 2HB LEU 56 -2.114 -1.624 -3.597 418 HD11 LEU 56 1HD1 LEU 56 -5.698 -0.563 -1.762 419 HD12 LEU 56 2HD1 LEU 56 -4.788 0.435 -2.896 420 HD13 LEU 56 3HD1 LEU 56 -4.287 0.330 -1.208 421 HD21 LEU 56 3HD2 LEU 56 -3.845 -3.216 -3.373 422 HD22 LEU 56 1HD2 LEU 56 -4.503 -1.865 -4.308 423 HD23 LEU 56 2HD2 LEU 56 -5.450 -2.589 -2.981 424 H CYS 57 H CYS 57 -2.122 -1.594 0.608 425 HA CYS 57 HA CYS 57 -1.122 -4.260 0.914 426 HB2 CYS 57 1HB CYS 57 -1.853 -2.510 2.642 427 HB3 CYS 57 2HB CYS 57 -3.493 -2.999 2.259 428 H LEU 58 H LEU 58 -1.781 -5.940 -0.431 429 HA LEU 58 HA LEU 58 -4.274 -5.973 -1.793 430 HG LEU 58 HG LEU 58 -2.054 -5.875 -3.092 431 HB2 LEU 58 1HB LEU 58 -2.000 -7.841 -1.285 432 HB3 LEU 58 2HB LEU 58 -3.426 -8.356 -2.171 433 HD11 LEU 58 1HD1 LEU 58 -0.252 -7.487 -2.754 434 HD12 LEU 58 2HD1 LEU 58 -0.583 -7.164 -4.456 435 HD13 LEU 58 3HD1 LEU 58 -1.141 -8.683 -3.720 436 HD21 LEU 58 3HD2 LEU 58 -4.135 -6.591 -4.084 437 HD22 LEU 58 1HD2 LEU 58 -3.431 -8.189 -4.371 438 HD23 LEU 58 2HD2 LEU 58 -2.786 -6.788 -5.224 439 H LYS 59 H LYS 59 -3.375 -6.580 1.164 440 HA LYS 59 HA LYS 59 -5.380 -8.541 1.808 441 HB2 LYS 59 1HB LYS 59 -3.311 -8.663 2.983 442 HB3 LYS 59 2HB LYS 59 -3.495 -7.037 3.638 443 HG2 LYS 59 1HG LYS 59 -4.066 -8.628 5.348 444 HG3 LYS 59 2HG LYS 59 -5.455 -7.716 4.695 445 HD2 LYS 59 1HD LYS 59 -6.375 -9.391 3.709 446 HD3 LYS 59 2HD LYS 59 -4.963 -10.329 3.328 447 HE2 LYS 59 1HE LYS 59 -6.367 -11.534 4.809 448 HE3 LYS 59 2HE LYS 59 -4.910 -11.031 5.765 449 HZ1 LYS 59 3HZ LYS 59 -7.726 -10.115 5.836 450 HZ2 LYS 59 1HZ LYS 59 -6.511 -9.267 6.652 451 HZ3 LYS 59 2HZ LYS 59 -6.858 -10.876 7.037 452 H CYS 60 H CYS 60 -4.935 -5.111 2.569 453 HA CYS 60 HA CYS 60 -7.821 -5.071 3.285 454 HB2 CYS 60 1HB CYS 60 -7.473 -3.716 5.183 455 HB3 CYS 60 2HB CYS 60 -6.261 -5.018 5.190 456 H GLY 61 H GLY 61 -5.851 -3.784 1.076 457 HA2 GLY 61 1HA GLY 61 -6.179 -2.104 -0.424 458 HA3 GLY 61 2HA GLY 61 -7.755 -1.806 0.320 459 H HIS 62 H HIS 62 -5.013 -1.668 2.241 460 HA HIS 62 HA HIS 62 -5.132 1.247 2.626 461 HD1 HIS 62 HD1 HIS 62 -1.207 0.499 4.154 462 HD2 HIS 62 HD2 HIS 62 -4.597 2.369 5.638 463 HE1 HIS 62 HE1 HIS 62 -0.366 2.373 5.572 464 HB2 HIS 62 1HB HIS 62 -4.866 -0.172 4.577 465 HB3 HIS 62 2HB HIS 62 -3.399 -0.872 3.889 466 H GLN 63 H GLN 63 -4.010 2.621 1.528 467 HA GLN 63 HA GLN 63 -1.613 1.706 0.191 468 HB2 GLN 63 1HB GLN 63 -2.963 4.373 -0.046 469 HB3 GLN 63 2HB GLN 63 -1.405 4.015 -0.766 470 HG2 GLN 63 1HG GLN 63 -2.616 3.542 -2.501 471 HG3 GLN 63 2HG GLN 63 -2.780 1.981 -1.708 472 HE21 GLN 63 1HE2 GLN 63 -4.590 3.273 -3.539 473 HE22 GLN 63 2HE2 GLN 63 -6.113 3.371 -2.698 474 H GLY 64 H GLY 64 0.180 2.004 0.728 475 HA2 GLY 64 1HA GLY 64 1.007 4.094 2.612 476 HA3 GLY 64 2HA GLY 64 1.491 2.411 2.881 477 H CYS 65 H CYS 65 2.989 4.741 2.506 478 HA CYS 65 HA CYS 65 4.092 4.593 -0.130 479 HB2 CYS 65 1HB CYS 65 5.511 6.496 0.679 480 HB3 CYS 65 2HB CYS 65 3.776 6.732 0.852 481 H GLY 66 H GLY 66 5.968 3.660 -0.641 482 HA2 GLY 66 1HA GLY 66 6.923 1.711 1.258 483 HA3 GLY 66 2HA GLY 66 7.273 1.770 -0.468 484 H ARG 67 H ARG 67 9.320 1.681 -0.599 485 HA ARG 67 HA ARG 67 11.129 2.287 1.483 486 HE ARG 67 HE ARG 67 14.008 -0.091 -0.919 487 HB2 ARG 67 1HB ARG 67 11.772 1.759 -1.405 488 HB3 ARG 67 2HB ARG 67 12.826 1.530 -0.016 489 HG2 ARG 67 1HG ARG 67 11.313 -0.186 0.843 490 HG3 ARG 67 2HG ARG 67 10.293 0.085 -0.577 491 HD2 ARG 67 1HD ARG 67 11.725 -1.914 -0.828 492 HD3 ARG 67 2HD ARG 67 12.027 -0.684 -2.051 493 HH11 ARG 67 1HH1 ARG 67 12.545 -3.093 0.295 494 HH12 ARG 67 2HH1 ARG 67 14.017 -3.750 0.843 495 HH21 ARG 67 1HH2 ARG 67 16.015 -1.010 -0.170 496 HH22 ARG 67 2HH2 ARG 67 16.049 -2.527 0.598 497 H ASN 68 H ASN 68 10.036 4.129 -1.198 498 HA ASN 68 HA ASN 68 12.393 5.846 -1.256 499 HB2 ASN 68 1HB ASN 68 9.836 6.267 -2.746 500 HB3 ASN 68 2HB ASN 68 11.461 6.825 -3.190 501 HD21 ASN 68 1HD2 ASN 68 12.909 5.259 -4.071 502 HD22 ASN 68 2HD2 ASN 68 12.255 3.778 -4.709 503 H SER 69 H SER 69 10.125 5.760 0.987 504 HA SER 69 HA SER 69 9.492 8.581 0.705 505 HG SER 69 HG SER 69 8.183 5.420 1.945 506 HB2 SER 69 1HB SER 69 7.544 8.171 2.103 507 HB3 SER 69 2HB SER 69 7.569 7.115 0.686 508 H GLN 70 H GLN 70 9.333 9.843 2.869 509 HA GLN 70 HA GLN 70 11.598 9.507 4.412 510 HB2 GLN 70 1HB GLN 70 9.142 11.208 4.401 511 HB3 GLN 70 2HB GLN 70 10.460 11.388 5.551 512 HG2 GLN 70 1HG GLN 70 10.752 11.598 2.566 513 HG3 GLN 70 2HG GLN 70 10.507 12.987 3.622 514 HE21 GLN 70 1HE2 GLN 70 12.175 13.615 4.972 515 HE22 GLN 70 2HE2 GLN 70 13.814 13.082 4.718 516 H GLU 71 H GLU 71 8.346 8.421 4.545 517 HA GLU 71 HA GLU 71 8.435 7.947 7.451 518 HB2 GLU 71 1HB GLU 71 6.194 8.151 5.506 519 HB3 GLU 71 2HB GLU 71 5.980 7.407 7.093 520 HG2 GLU 71 1HG GLU 71 6.965 10.195 6.601 521 HG3 GLU 71 2HG GLU 71 5.301 9.727 7.017 522 H GLN 72 H GLN 72 8.006 6.231 4.373 523 HA GLN 72 HA GLN 72 7.720 4.089 3.861 524 HB2 GLN 72 1HB GLN 72 9.610 3.867 6.204 525 HB3 GLN 72 2HB GLN 72 9.218 2.456 5.218 526 HG2 GLN 72 1HG GLN 72 10.011 3.732 3.227 527 HG3 GLN 72 2HG GLN 72 10.584 4.978 4.333 528 HE21 GLN 72 1HE2 GLN 72 10.958 1.814 3.257 529 HE22 GLN 72 2HE2 GLN 72 12.566 1.714 3.898 530 H HIS 73 H HIS 73 5.494 4.958 4.925 531 HA HIS 73 HA HIS 73 4.517 3.855 7.208 532 HD2 HIS 73 HD2 HIS 73 3.593 5.723 8.621 533 HE1 HIS 73 HE1 HIS 73 2.746 9.204 6.313 534 HE2 HIS 73 HE2 HIS 73 3.151 8.297 8.734 535 HB2 HIS 73 1HB HIS 73 3.388 4.970 4.717 536 HB3 HIS 73 2HB HIS 73 2.348 4.268 5.945 537 H ALA 74 H ALA 74 4.765 2.501 4.007 538 HA ALA 74 HA ALA 74 2.971 0.212 4.356 539 HB1 ALA 74 3HB ALA 74 5.429 0.445 2.608 540 HB2 ALA 74 1HB ALA 74 3.824 0.995 2.127 541 HB3 ALA 74 2HB ALA 74 4.114 -0.716 2.444 542 H LEU 75 H LEU 75 6.284 0.817 5.162 543 HA LEU 75 HA LEU 75 6.860 -1.880 5.907 544 HG LEU 75 HG LEU 75 10.106 0.025 5.091 545 HB2 LEU 75 1HB LEU 75 8.237 0.767 6.456 546 HB3 LEU 75 2HB LEU 75 8.857 -0.777 7.030 547 HD11 LEU 75 1HD1 LEU 75 9.959 -2.325 5.398 548 HD12 LEU 75 2HD1 LEU 75 9.961 -1.914 3.679 549 HD13 LEU 75 3HD1 LEU 75 8.452 -2.387 4.471 550 HD21 LEU 75 3HD2 LEU 75 9.130 0.147 2.853 551 HD22 LEU 75 1HD2 LEU 75 8.343 1.314 3.912 552 HD23 LEU 75 2HD2 LEU 75 7.536 -0.197 3.515 553 H LYS 76 H LYS 76 6.215 1.185 7.777 554 HA LYS 76 HA LYS 76 5.956 0.214 10.216 555 HB2 LYS 76 1HB LYS 76 4.334 2.317 8.805 556 HB3 LYS 76 2HB LYS 76 4.372 2.074 10.559 557 HG2 LYS 76 1HG LYS 76 6.768 2.439 10.510 558 HG3 LYS 76 2HG LYS 76 6.661 2.717 8.765 559 HD2 LYS 76 1HD LYS 76 5.366 4.669 9.082 560 HD3 LYS 76 2HD LYS 76 5.162 4.317 10.816 561 HE2 LYS 76 1HE LYS 76 7.506 4.351 11.057 562 HE3 LYS 76 2HE LYS 76 7.725 4.885 9.386 563 HZ1 LYS 76 3HZ LYS 76 6.470 6.959 9.897 564 HZ2 LYS 76 1HZ LYS 76 7.793 6.807 10.909 565 HZ3 LYS 76 2HZ LYS 76 6.256 6.449 11.471 566 H HIS 77 H HIS 77 3.620 -0.029 7.585 567 HA HIS 77 HA HIS 77 1.428 -0.824 9.189 568 HD1 HIS 77 HD1 HIS 77 -1.267 0.152 7.814 569 HD2 HIS 77 HD2 HIS 77 -0.012 -3.321 5.881 570 HE1 HIS 77 HE1 HIS 77 -3.328 -1.094 7.239 571 HB2 HIS 77 1HB HIS 77 1.177 0.231 7.004 572 HB3 HIS 77 2HB HIS 77 1.844 -1.191 6.198 573 H TYR 78 H TYR 78 3.922 -2.470 7.427 574 HA TYR 78 HA TYR 78 2.877 -5.079 8.050 575 HD1 TYR 78 HD2 TYR 78 3.176 -7.049 6.901 576 HD2 TYR 78 HD1 TYR 78 7.202 -6.005 7.823 577 HE1 TYR 78 HE2 TYR 78 3.709 -9.413 7.233 578 HE2 TYR 78 HE1 TYR 78 7.734 -8.388 8.161 579 HH TYR 78 HH TYR 78 6.664 -10.466 8.601 580 HB2 TYR 78 1HB TYR 78 4.347 -4.744 6.187 581 HB3 TYR 78 2HB TYR 78 5.679 -4.299 7.271 582 H LEU 79 H LEU 79 5.082 -2.785 9.760 583 HA LEU 79 HA LEU 79 5.818 -4.777 11.609 584 HG LEU 79 HG LEU 79 7.394 -2.589 9.778 585 HB2 LEU 79 1HB LEU 79 6.116 -1.784 11.617 586 HB3 LEU 79 2HB LEU 79 6.903 -2.907 12.727 587 HD11 LEU 79 1HD1 LEU 79 8.427 -0.911 11.153 588 HD12 LEU 79 2HD1 LEU 79 9.637 -2.006 10.481 589 HD13 LEU 79 3HD1 LEU 79 9.148 -2.159 12.170 590 HD21 LEU 79 3HD2 LEU 79 7.404 -4.919 10.362 591 HD22 LEU 79 1HD2 LEU 79 8.538 -4.627 11.682 592 HD23 LEU 79 2HD2 LEU 79 9.051 -4.371 10.005 593 H THR 80 H THR 80 3.105 -3.106 11.033 594 HA THR 80 HA THR 80 2.260 -2.405 13.670 595 HB THR 80 HB THR 80 0.580 -3.290 11.312 596 HG1 THR 80 HG1 THR 80 2.046 -1.233 11.409 597 HG21 THR 80 3HG2 THR 80 -1.288 -2.145 12.453 598 HG22 THR 80 1HG2 THR 80 -0.232 -1.808 13.832 599 HG23 THR 80 2HG2 THR 80 -0.649 -3.473 13.411 600 HA PRO 81 HA PRO 81 1.923 -6.674 15.046 601 HB2 PRO 81 1HB PRO 81 0.833 -6.240 17.471 602 HB3 PRO 81 2HB PRO 81 2.557 -5.984 17.129 603 HG2 PRO 81 1HG PRO 81 0.327 -4.023 17.248 604 HG3 PRO 81 2HG PRO 81 1.996 -3.965 17.901 605 HD2 PRO 81 1HD PRO 81 1.258 -2.700 15.590 606 HD3 PRO 81 2HD PRO 81 2.899 -3.343 15.868 607 H ARG 82 H ARG 82 0.558 -7.837 14.454 608 HA ARG 82 HA ARG 82 -2.258 -7.737 15.001 609 HE ARG 82 HE ARG 82 -3.557 -5.977 11.089 610 HB2 ARG 82 1HB ARG 82 -2.816 -7.992 12.469 611 HB3 ARG 82 2HB ARG 82 -2.588 -6.380 13.159 612 HG2 ARG 82 1HG ARG 82 -0.447 -6.198 12.187 613 HG3 ARG 82 2HG ARG 82 -0.426 -7.904 11.714 614 HD2 ARG 82 1HD ARG 82 -0.932 -6.311 9.831 615 HD3 ARG 82 2HD ARG 82 -2.155 -7.540 10.136 616 HH11 ARG 82 1HH1 ARG 82 -0.678 -4.336 9.715 617 HH12 ARG 82 2HH1 ARG 82 -1.456 -2.828 9.624 618 HH21 ARG 82 1HH2 ARG 82 -4.591 -3.906 10.872 619 HH22 ARG 82 2HH2 ARG 82 -3.745 -2.590 10.236 620 H SER 83 H SER 83 -3.428 -9.647 14.165 621 HA SER 83 HA SER 83 -1.731 -11.968 14.378 622 HG SER 83 HG SER 83 -3.007 -11.563 16.212 623 HB2 SER 83 1HB SER 83 -4.733 -11.757 14.033 624 HB3 SER 83 2HB SER 83 -3.825 -13.184 14.545 625 H GLU 84 H GLU 84 -3.739 -10.349 12.002 626 HA GLU 84 HA GLU 84 -3.303 -12.281 9.930 627 HB2 GLU 84 1HB GLU 84 -4.178 -9.379 9.694 628 HB3 GLU 84 2HB GLU 84 -4.180 -10.613 8.444 629 HG2 GLU 84 1HG GLU 84 -5.756 -10.938 10.944 630 HG3 GLU 84 2HG GLU 84 -6.362 -10.089 9.513 631 HA PRO 85 HA PRO 85 0.628 -10.852 8.832 632 HB2 PRO 85 1HB PRO 85 0.671 -11.438 6.141 633 HB3 PRO 85 2HB PRO 85 0.952 -12.611 7.444 634 HG2 PRO 85 1HG PRO 85 -1.431 -12.171 5.750 635 HG3 PRO 85 2HG PRO 85 -0.859 -13.647 6.558 636 HD2 PRO 85 1HD PRO 85 -2.970 -12.022 7.443 637 HD3 PRO 85 2HD PRO 85 -2.081 -13.223 8.405 638 H HIS 86 H HIS 86 -1.763 -9.876 6.354 639 HA HIS 86 HA HIS 86 -1.915 -8.043 4.951 640 HD2 HIS 86 HD2 HIS 86 -3.246 -8.492 8.174 641 HE1 HIS 86 HE1 HIS 86 -5.797 -5.264 7.240 642 HE2 HIS 86 HE2 HIS 86 -5.626 -7.455 8.455 643 HB2 HIS 86 1HB HIS 86 -0.898 -6.732 7.487 644 HB3 HIS 86 2HB HIS 86 -1.309 -5.804 6.038 645 H CYS 87 H CYS 87 0.243 -9.581 4.516 646 HA CYS 87 HA CYS 87 2.571 -7.923 4.624 647 HG CYS 87 HG CYS 87 1.361 -11.283 2.794 648 HB2 CYS 87 1HB CYS 87 3.733 -10.012 3.873 649 HB3 CYS 87 2HB CYS 87 2.999 -9.937 5.481 650 H LEU 88 H LEU 88 0.261 -8.143 2.489 651 HA LEU 88 HA LEU 88 1.954 -8.279 0.103 652 HG LEU 88 HG LEU 88 1.185 -10.619 0.868 653 HB2 LEU 88 1HB LEU 88 -0.719 -9.440 0.658 654 HB3 LEU 88 2HB LEU 88 -0.329 -9.051 -0.991 655 HD11 LEU 88 1HD1 LEU 88 -0.513 -11.568 -1.478 656 HD12 LEU 88 2HD1 LEU 88 -0.804 -11.917 0.252 657 HD13 LEU 88 3HD1 LEU 88 0.604 -12.599 -0.578 658 HD21 LEU 88 3HD2 LEU 88 2.384 -11.535 -1.212 659 HD22 LEU 88 1HD2 LEU 88 2.760 -9.894 -0.675 660 HD23 LEU 88 2HD2 LEU 88 1.658 -10.152 -2.021 661 H VAL 89 H VAL 89 2.312 -6.796 -0.820 662 HA VAL 89 HA VAL 89 0.209 -4.813 -1.007 663 HB VAL 89 HB VAL 89 1.860 -3.029 -0.835 664 HG11 VAL 89 1HG1 VAL 89 2.360 -3.143 1.592 665 HG12 VAL 89 2HG1 VAL 89 1.771 -4.811 1.579 666 HG13 VAL 89 3HG1 VAL 89 0.675 -3.474 1.192 667 HG21 VAL 89 3HG2 VAL 89 4.117 -3.397 -0.046 668 HG22 VAL 89 1HG2 VAL 89 3.764 -4.303 -1.520 669 HG23 VAL 89 2HG2 VAL 89 3.803 -5.146 0.038 670 H LEU 90 H LEU 90 0.075 -3.981 -2.981 671 HA LEU 90 HA LEU 90 2.050 -4.880 -4.927 672 HG LEU 90 HG LEU 90 -1.064 -3.004 -4.840 673 HB2 LEU 90 1HB LEU 90 0.366 -4.840 -6.600 674 HB3 LEU 90 2HB LEU 90 -0.432 -5.464 -5.170 675 HD11 LEU 90 1HD1 LEU 90 0.149 -2.131 -6.732 676 HD12 LEU 90 2HD1 LEU 90 -1.590 -1.912 -7.035 677 HD13 LEU 90 3HD1 LEU 90 -0.695 -3.242 -7.800 678 HD21 LEU 90 3HD2 LEU 90 -3.182 -3.396 -6.056 679 HD22 LEU 90 1HD2 LEU 90 -2.693 -4.756 -5.049 680 HD23 LEU 90 2HD2 LEU 90 -2.451 -4.817 -6.800 681 H SER 91 H SER 91 2.893 -3.316 -6.366 682 HA SER 91 HA SER 91 3.101 -0.712 -5.161 683 HG SER 91 HG SER 91 3.474 -1.926 -8.187 684 HB2 SER 91 1HB SER 91 5.035 -0.485 -6.574 685 HB3 SER 91 2HB SER 91 4.962 -2.210 -6.161 686 H LEU 92 H LEU 92 1.997 1.025 -5.921 687 HA LEU 92 HA LEU 92 0.315 0.815 -8.262 688 HG LEU 92 HG LEU 92 -0.783 1.028 -5.653 689 HB2 LEU 92 1HB LEU 92 0.821 2.933 -6.190 690 HB3 LEU 92 2HB LEU 92 -0.181 3.231 -7.610 691 HD11 LEU 92 1HD1 LEU 92 -2.388 2.505 -4.661 692 HD12 LEU 92 2HD1 LEU 92 -1.938 3.791 -5.777 693 HD13 LEU 92 3HD1 LEU 92 -0.788 3.247 -4.552 694 HD21 LEU 92 3HD2 LEU 92 -2.421 2.560 -7.601 695 HD22 LEU 92 1HD2 LEU 92 -2.958 1.162 -6.674 696 HD23 LEU 92 2HD2 LEU 92 -1.744 0.953 -7.957 697 H ASP 93 H ASP 93 3.311 0.879 -8.289 698 HA ASP 93 HA ASP 93 3.754 3.194 -10.056 699 HB2 ASP 93 1HB ASP 93 5.723 1.739 -8.276 700 HB3 ASP 93 2HB ASP 93 6.163 2.981 -9.456 701 H ASN 94 H ASN 94 5.136 -0.029 -9.402 702 HA ASN 94 HA ASN 94 5.610 -0.264 -12.304 703 HB2 ASN 94 1HB ASN 94 7.627 -0.343 -10.792 704 HB3 ASN 94 2HB ASN 94 6.970 -1.807 -10.057 705 HD21 ASN 94 1HD2 ASN 94 8.421 -0.433 -12.877 706 HD22 ASN 94 2HD2 ASN 94 8.836 -1.952 -13.608 707 H TRP 95 H TRP 95 3.490 -1.098 -10.070 708 HA TRP 95 HA TRP 95 1.908 -2.624 -9.730 709 HD1 TRP 95 HD1 TRP 95 1.987 -0.736 -13.636 710 HE1 TRP 95 HE1 TRP 95 0.143 1.045 -13.378 711 HE3 TRP 95 HE3 TRP 95 -0.780 -2.899 -9.916 712 HZ2 TRP 95 HZ2 TRP 95 -2.127 1.503 -11.823 713 HZ3 TRP 95 HZ3 TRP 95 -2.780 -1.709 -9.101 714 HH2 TRP 95 HH2 TRP 95 -3.435 0.444 -10.037 715 HB2 TRP 95 1HB TRP 95 2.347 -3.153 -12.681 716 HB3 TRP 95 2HB TRP 95 1.013 -3.839 -11.751 717 H SER 96 H SER 96 4.447 -3.425 -8.835 718 HA SER 96 HA SER 96 4.455 -6.272 -9.432 719 HG SER 96 HG SER 96 7.608 -4.485 -9.458 720 HB2 SER 96 1HB SER 96 6.290 -4.708 -7.685 721 HB3 SER 96 2HB SER 96 6.493 -6.353 -8.286 722 H VAL 97 H VAL 97 5.003 -7.492 -7.326 723 HA VAL 97 HA VAL 97 3.195 -6.509 -5.275 724 HB VAL 97 HB VAL 97 3.787 -9.365 -5.997 725 HG11 VAL 97 1HG1 VAL 97 2.948 -8.978 -3.807 726 HG12 VAL 97 2HG1 VAL 97 1.724 -9.750 -4.917 727 HG13 VAL 97 3HG1 VAL 97 1.654 -8.006 -4.567 728 HG21 VAL 97 3HG2 VAL 97 1.509 -7.682 -6.898 729 HG22 VAL 97 1HG2 VAL 97 1.647 -9.442 -7.061 730 HG23 VAL 97 2HG2 VAL 97 2.820 -8.386 -7.867 731 H TRP 98 H TRP 98 3.927 -6.886 -3.170 732 HA TRP 98 HA TRP 98 6.571 -8.098 -2.911 733 HD1 TRP 98 HD1 TRP 98 7.000 -6.717 0.893 734 HE1 TRP 98 HE1 TRP 98 9.491 -7.268 1.334 735 HE3 TRP 98 HE3 TRP 98 8.799 -6.234 -3.862 736 HZ2 TRP 98 HZ2 TRP 98 11.804 -7.461 -0.104 737 HZ3 TRP 98 HZ3 TRP 98 11.169 -6.606 -4.266 738 HH2 TRP 98 HH2 TRP 98 12.684 -7.200 -2.428 739 HB2 TRP 98 1HB TRP 98 6.599 -5.480 -2.683 740 HB3 TRP 98 2HB TRP 98 5.704 -5.784 -1.193 741 H CYS 99 H CYS 99 6.760 -9.557 -1.238 742 HA CYS 99 HA CYS 99 4.479 -9.612 0.573 743 HB2 CYS 99 1HB CYS 99 4.320 -11.601 -0.798 744 HB3 CYS 99 2HB CYS 99 6.025 -11.987 -0.574 745 H TYR 100 H TYR 100 5.096 -9.104 2.432 746 HA TYR 100 HA TYR 100 7.847 -8.592 2.969 747 HD1 TYR 100 HD2 TYR 100 8.099 -6.092 3.933 748 HD2 TYR 100 HD1 TYR 100 4.038 -7.206 3.783 749 HE1 TYR 100 HE2 TYR 100 7.550 -3.832 3.139 750 HE2 TYR 100 HE1 TYR 100 3.429 -4.921 2.982 751 HH TYR 100 HH TYR 100 4.341 -2.712 3.049 752 HB2 TYR 100 1HB TYR 100 5.484 -8.565 4.785 753 HB3 TYR 100 2HB TYR 100 7.106 -8.038 5.227 754 H VAL 101 H VAL 101 5.724 -11.199 3.702 755 HA VAL 101 HA VAL 101 7.483 -12.248 5.749 756 HB VAL 101 HB VAL 101 5.026 -12.342 6.010 757 HG11 VAL 101 1HG1 VAL 101 5.140 -14.312 3.798 758 HG12 VAL 101 2HG1 VAL 101 4.553 -12.679 3.704 759 HG13 VAL 101 3HG1 VAL 101 3.682 -13.868 4.716 760 HG21 VAL 101 3HG2 VAL 101 4.826 -14.669 6.771 761 HG22 VAL 101 1HG2 VAL 101 6.345 -13.927 7.276 762 HG23 VAL 101 2HG2 VAL 101 6.323 -15.058 5.923 763 H CYS 102 H CYS 102 7.148 -12.506 2.360 764 HA CYS 102 HA CYS 102 8.759 -14.949 2.274 765 HB2 CYS 102 1HB CYS 102 7.418 -13.218 0.218 766 HB3 CYS 102 2HB CYS 102 8.763 -14.257 -0.249 767 H ASP 103 H ASP 103 8.648 -11.609 2.023 768 HA ASP 103 HA ASP 103 9.890 -9.929 1.681 769 HB2 ASP 103 1HB ASP 103 10.866 -10.615 3.828 770 HB3 ASP 103 2HB ASP 103 12.133 -11.495 2.954 771 H ASN 104 H ASN 104 9.447 -10.701 -0.554 772 HA ASN 104 HA ASN 104 11.713 -9.972 -1.984 773 HB2 ASN 104 1HB ASN 104 11.802 -11.914 -3.391 774 HB3 ASN 104 2HB ASN 104 11.884 -12.452 -1.691 775 HD21 ASN 104 1HD2 ASN 104 9.906 -12.158 -4.418 776 HD22 ASN 104 2HD2 ASN 104 8.565 -13.073 -3.855 777 H GLU 105 H GLU 105 10.755 -10.184 -4.419 778 HA GLU 105 HA GLU 105 8.281 -8.748 -4.478 779 HB2 GLU 105 1HB GLU 105 10.329 -8.163 -5.554 780 HB3 GLU 105 2HB GLU 105 10.181 -9.564 -6.604 781 HG2 GLU 105 1HG GLU 105 8.254 -8.805 -7.617 782 HG3 GLU 105 2HG GLU 105 8.053 -7.520 -6.413 783 H VAL 106 H VAL 106 6.398 -9.747 -5.253 784 HA VAL 106 HA VAL 106 6.593 -12.561 -6.074 785 HB VAL 106 HB VAL 106 4.054 -11.146 -5.170 786 HG11 VAL 106 1HG1 VAL 106 3.247 -13.399 -4.693 787 HG12 VAL 106 2HG1 VAL 106 4.767 -14.067 -5.286 788 HG13 VAL 106 3HG1 VAL 106 3.692 -13.209 -6.390 789 HG21 VAL 106 3HG2 VAL 106 5.675 -10.992 -3.358 790 HG22 VAL 106 1HG2 VAL 106 5.972 -12.726 -3.459 791 HG23 VAL 106 2HG2 VAL 106 4.392 -12.135 -2.955 792 H GLN 107 H GLN 107 5.120 -13.243 -7.887 793 HA GLN 107 HA GLN 107 4.380 -11.124 -9.618 794 HB2 GLN 107 1HB GLN 107 5.341 -12.352 -11.555 795 HB3 GLN 107 2HB GLN 107 6.585 -11.757 -10.458 796 HG2 GLN 107 1HG GLN 107 5.678 -14.537 -10.019 797 HG3 GLN 107 2HG GLN 107 6.552 -14.236 -11.515 798 HE21 GLN 107 1HE2 GLN 107 7.257 -12.371 -8.679 799 HE22 GLN 107 2HE2 GLN 107 8.791 -13.124 -8.347 800 H TYR 108 H TYR 108 2.979 -11.883 -11.084 801 HA TYR 108 HA TYR 108 1.440 -14.304 -10.411 802 HD1 TYR 108 HD2 TYR 108 -0.502 -11.237 -12.509 803 HD2 TYR 108 HD1 TYR 108 1.170 -10.562 -8.683 804 HE1 TYR 108 HE2 TYR 108 -0.377 -8.837 -12.999 805 HE2 TYR 108 HE1 TYR 108 1.285 -8.249 -9.062 806 HH TYR 108 HH TYR 108 1.355 -6.624 -10.954 807 HB2 TYR 108 1HB TYR 108 -0.654 -12.919 -10.710 808 HB3 TYR 108 2HB TYR 108 0.270 -12.684 -9.220 809 H CYS 109 H CYS 109 0.325 -15.239 -12.058 810 HA CYS 109 HA CYS 109 -0.341 -14.224 -14.552 811 HG CYS 109 HG CYS 109 2.175 -12.713 -14.683 812 HB2 CYS 109 1HB CYS 109 2.392 -15.481 -14.484 813 HB3 CYS 109 2HB CYS 109 1.367 -15.740 -15.900 814 H SER 110 H SER 110 -0.764 -16.056 -16.181 815 HA SER 110 HA SER 110 -1.706 -18.002 -16.805 816 HG SER 110 HG SER 110 1.499 -18.806 -15.534 817 HB2 SER 110 1HB SER 110 -0.228 -19.167 -14.438 818 HB3 SER 110 2HB SER 110 -0.817 -20.052 -15.847 819 H SER 111 H SER 111 -3.081 -16.288 -14.897 820 HA SER 111 HA SER 111 -4.983 -16.150 -13.811 821 HG SER 111 HG SER 111 -7.503 -17.218 -14.205 822 HB2 SER 111 1HB SER 111 -5.937 -17.685 -15.518 823 HB3 SER 111 2HB SER 111 -5.456 -19.068 -14.522 824 H ASN 112 H ASN 112 -3.631 -15.780 -12.090 825 HA ASN 112 HA ASN 112 -3.941 -17.760 -9.941 826 HB2 ASN 112 1HB ASN 112 -1.556 -17.292 -10.555 827 HB3 ASN 112 2HB ASN 112 -1.844 -15.581 -10.201 828 HD21 ASN 112 1HD2 ASN 112 -1.312 -18.712 -8.905 829 HD22 ASN 112 2HD2 ASN 112 -1.154 -18.237 -7.245 830 H GLN 113 H GLN 113 -4.717 -16.860 -8.009 831 HA GLN 113 HA GLN 113 -6.660 -14.901 -8.185 832 HB2 GLN 113 1HB GLN 113 -6.510 -16.572 -6.402 833 HB3 GLN 113 2HB GLN 113 -5.118 -15.714 -5.720 834 HG2 GLN 113 1HG GLN 113 -6.612 -13.723 -5.509 835 HG3 GLN 113 2HG GLN 113 -7.958 -14.797 -5.925 836 HE21 GLN 113 1HE2 GLN 113 -5.642 -13.904 -3.586 837 HE22 GLN 113 2HE2 GLN 113 -6.396 -14.682 -2.236 838 H LEU 114 H LEU 114 -3.170 -14.510 -7.397 839 HA LEU 114 HA LEU 114 -3.331 -11.901 -6.337 840 HG LEU 114 HG LEU 114 -0.525 -11.129 -7.527 841 HB2 LEU 114 1HB LEU 114 -1.501 -13.503 -5.985 842 HB3 LEU 114 2HB LEU 114 -1.162 -13.473 -7.714 843 HD11 LEU 114 1HD1 LEU 114 -0.997 -11.514 -4.583 844 HD12 LEU 114 2HD1 LEU 114 -1.940 -10.509 -5.689 845 HD13 LEU 114 3HD1 LEU 114 -0.265 -10.088 -5.337 846 HD21 LEU 114 3HD2 LEU 114 0.883 -12.933 -5.577 847 HD22 LEU 114 1HD2 LEU 114 1.558 -11.482 -6.309 848 HD23 LEU 114 2HD2 LEU 114 1.157 -12.872 -7.315 849 H GLY 115 H GLY 115 -2.914 -13.235 -9.533 850 HA2 GLY 115 1HA GLY 115 -2.438 -10.682 -10.742 851 HA3 GLY 115 2HA GLY 115 -2.805 -12.168 -11.618 852 H GLN 116 H GLN 116 -5.350 -12.841 -10.387 853 HA GLN 116 HA GLN 116 -7.137 -11.428 -11.853 854 HB2 GLN 116 1HB GLN 116 -7.595 -12.754 -9.189 855 HB3 GLN 116 2HB GLN 116 -8.795 -12.494 -10.455 856 HG2 GLN 116 1HG GLN 116 -7.467 -13.969 -11.886 857 HG3 GLN 116 2HG GLN 116 -6.427 -14.313 -10.507 858 HE21 GLN 116 1HE2 GLN 116 -8.045 -16.179 -11.977 859 HE22 GLN 116 2HE2 GLN 116 -9.132 -16.892 -10.827 860 H VAL 117 H VAL 117 -6.007 -10.949 -8.567 861 HA VAL 117 HA VAL 117 -8.067 -9.123 -8.195 862 HB VAL 117 HB VAL 117 -6.011 -10.148 -6.300 863 HG11 VAL 117 1HG1 VAL 117 -7.673 -7.682 -5.753 864 HG12 VAL 117 2HG1 VAL 117 -5.935 -7.698 -6.030 865 HG13 VAL 117 3HG1 VAL 117 -6.600 -8.505 -4.597 866 HG21 VAL 117 3HG2 VAL 117 -8.224 -10.217 -4.964 867 HG22 VAL 117 1HG2 VAL 117 -7.987 -11.315 -6.361 868 HG23 VAL 117 2HG2 VAL 117 -8.936 -9.833 -6.518 869 H VAL 118 H VAL 118 -4.512 -8.891 -8.462 870 HA VAL 118 HA VAL 118 -4.319 -6.099 -8.391 871 HB VAL 118 HB VAL 118 -2.725 -8.046 -10.050 872 HG11 VAL 118 1HG1 VAL 118 -1.014 -6.256 -10.155 873 HG12 VAL 118 2HG1 VAL 118 -2.102 -5.170 -9.289 874 HG13 VAL 118 3HG1 VAL 118 -2.525 -5.744 -10.907 875 HG21 VAL 118 3HG2 VAL 118 -1.031 -7.822 -8.312 876 HG22 VAL 118 1HG2 VAL 118 -2.541 -8.461 -7.649 877 HG23 VAL 118 2HG2 VAL 118 -2.106 -6.760 -7.405 878 H ASP 119 H ASP 119 -5.396 -8.189 -10.972 879 HA ASP 119 HA ASP 119 -5.337 -6.231 -13.052 880 HB2 ASP 119 1HB ASP 119 -5.492 -8.662 -13.549 881 HB3 ASP 119 2HB ASP 119 -7.001 -8.735 -12.643 882 H TYR 120 H TYR 120 -7.634 -7.381 -10.752 883 HA TYR 120 HA TYR 120 -9.841 -5.763 -11.573 884 HD1 TYR 120 HD2 TYR 120 -12.264 -5.325 -9.792 885 HD2 TYR 120 HD1 TYR 120 -9.345 -6.813 -7.072 886 HE1 TYR 120 HE2 TYR 120 -13.405 -4.250 -7.952 887 HE2 TYR 120 HE1 TYR 120 -10.503 -5.727 -5.245 888 HH TYR 120 HH TYR 120 -11.998 -3.847 -4.909 889 HB2 TYR 120 1HB TYR 120 -10.672 -7.445 -10.219 890 HB3 TYR 120 2HB TYR 120 -9.216 -7.489 -9.217 891 H VAL 121 H VAL 121 -7.358 -5.378 -9.132 892 HA VAL 121 HA VAL 121 -8.456 -3.072 -8.040 893 HB VAL 121 HB VAL 121 -5.682 -4.297 -7.893 894 HG11 VAL 121 1HG1 VAL 121 -5.312 -2.929 -5.921 895 HG12 VAL 121 2HG1 VAL 121 -6.837 -2.095 -6.268 896 HG13 VAL 121 3HG1 VAL 121 -5.484 -1.962 -7.392 897 HG21 VAL 121 3HG2 VAL 121 -7.300 -5.707 -6.929 898 HG22 VAL 121 1HG2 VAL 121 -8.043 -4.372 -6.059 899 HG23 VAL 121 2HG2 VAL 121 -6.428 -4.924 -5.606 900 H ARG 122 H ARG 122 -6.254 -3.760 -10.587 901 HA ARG 122 HA ARG 122 -5.276 -1.124 -10.971 902 HE ARG 122 HE ARG 122 -4.072 -3.941 -14.632 903 HB2 ARG 122 1HB ARG 122 -4.162 -3.222 -11.711 904 HB3 ARG 122 2HB ARG 122 -5.430 -3.386 -12.931 905 HG2 ARG 122 1HG ARG 122 -4.675 -1.587 -14.133 906 HG3 ARG 122 2HG ARG 122 -3.827 -0.915 -12.729 907 HD2 ARG 122 1HD ARG 122 -2.215 -1.881 -14.299 908 HD3 ARG 122 2HD ARG 122 -2.292 -2.835 -12.819 909 HH11 ARG 122 1HH1 ARG 122 -0.609 -3.444 -14.351 910 HH12 ARG 122 2HH1 ARG 122 -0.165 -4.924 -15.062 911 HH21 ARG 122 1HH2 ARG 122 -3.506 -5.948 -15.677 912 HH22 ARG 122 2HH2 ARG 122 -1.864 -6.392 -15.865 913 H LYS 123 H LYS 123 -8.045 -2.976 -12.289 914 HA LYS 123 HA LYS 123 -8.758 -0.976 -14.114 915 HB2 LYS 123 1HB LYS 123 -10.263 -3.236 -12.861 916 HB3 LYS 123 2HB LYS 123 -10.845 -2.281 -14.231 917 HG2 LYS 123 1HG LYS 123 -8.800 -2.744 -15.347 918 HG3 LYS 123 2HG LYS 123 -8.333 -3.842 -14.064 919 HD2 LYS 123 1HD LYS 123 -10.291 -5.234 -14.438 920 HD3 LYS 123 2HD LYS 123 -10.780 -4.165 -15.764 921 HE2 LYS 123 1HE LYS 123 -8.876 -4.758 -17.072 922 HE3 LYS 123 2HE LYS 123 -8.130 -5.575 -15.707 923 HZ1 LYS 123 3HZ LYS 123 -9.572 -7.328 -15.852 924 HZ2 LYS 123 1HZ LYS 123 -9.152 -7.013 -17.437 925 HZ3 LYS 123 2HZ LYS 123 -10.669 -6.531 -16.909 926 H GLN 124 H GLN 124 -9.061 -1.441 -10.876 927 HA GLN 124 HA GLN 124 -11.327 0.192 -10.352 928 HB2 GLN 124 1HB GLN 124 -9.366 -1.298 -8.832 929 HB3 GLN 124 2HB GLN 124 -9.951 0.139 -8.002 930 HG2 GLN 124 1HG GLN 124 -10.870 -2.222 -7.936 931 HG3 GLN 124 2HG GLN 124 -11.976 -0.880 -7.532 932 HE21 GLN 124 1HE2 GLN 124 -10.709 -2.601 -10.296 933 HE22 GLN 124 2HE2 GLN 124 -12.206 -3.102 -10.953 934 H ALA 125 H ALA 125 -7.845 0.442 -9.864 935 HA ALA 125 HA ALA 125 -7.708 3.131 -8.979 936 HB1 ALA 125 3HB ALA 125 -6.067 1.421 -8.484 937 HB2 ALA 125 1HB ALA 125 -5.334 2.834 -9.244 938 HB3 ALA 125 2HB ALA 125 -5.595 1.353 -10.189 939 H SER 126 H SER 126 -7.244 1.631 -12.137 940 HA SER 126 HA SER 126 -6.630 4.076 -13.423 941 HG SER 126 HG SER 126 -5.252 2.332 -13.733 942 HB2 SER 126 1HB SER 126 -7.723 1.493 -14.563 943 HB3 SER 126 2HB SER 126 -7.059 2.822 -15.522 Start of MODEL 10 1 HA PRO 5 HA PRO 5 9.527 -21.475 -3.725 2 HB2 PRO 5 1HB PRO 5 10.209 -18.961 -3.188 3 HB3 PRO 5 2HB PRO 5 11.156 -20.340 -2.600 4 HG2 PRO 5 1HG PRO 5 11.690 -18.567 -4.970 5 HG3 PRO 5 2HG PRO 5 12.859 -19.233 -3.790 6 HD2 PRO 5 1HD PRO 5 12.341 -20.150 -6.279 7 HD3 PRO 5 2HD PRO 5 12.953 -21.209 -4.968 8 H VAL 6 H VAL 6 7.703 -20.391 -3.542 9 HA VAL 6 HA VAL 6 6.896 -18.460 -5.574 10 HB VAL 6 HB VAL 6 4.818 -20.199 -4.476 11 HG11 VAL 6 1HG1 VAL 6 5.374 -19.207 -7.191 12 HG12 VAL 6 2HG1 VAL 6 4.217 -18.589 -5.989 13 HG13 VAL 6 3HG1 VAL 6 3.955 -20.168 -6.752 14 HG21 VAL 6 3HG2 VAL 6 6.679 -21.393 -6.480 15 HG22 VAL 6 1HG2 VAL 6 5.065 -22.003 -6.021 16 HG23 VAL 6 2HG2 VAL 6 6.350 -21.905 -4.798 17 H CYS 7 H CYS 7 4.872 -17.559 -4.654 18 HA CYS 7 HA CYS 7 5.059 -17.458 -1.778 19 HB2 CYS 7 1HB CYS 7 5.039 -15.275 -2.958 20 HB3 CYS 7 2HB CYS 7 3.464 -15.697 -3.641 21 H ARG 8 H ARG 8 3.782 -18.869 -0.803 22 HA ARG 8 HA ARG 8 1.376 -19.653 -2.189 23 HE ARG 8 HE ARG 8 4.640 -21.394 0.021 24 HB2 ARG 8 1HB ARG 8 2.850 -21.051 0.063 25 HB3 ARG 8 2HB ARG 8 1.276 -21.569 -0.535 26 HG2 ARG 8 1HG ARG 8 2.830 -23.011 -1.542 27 HG3 ARG 8 2HG ARG 8 2.390 -21.840 -2.782 28 HD2 ARG 8 1HD ARG 8 4.824 -22.312 -2.753 29 HD3 ARG 8 2HD ARG 8 4.427 -20.621 -2.436 30 HH11 ARG 8 1HH1 ARG 8 6.724 -22.731 -2.550 31 HH12 ARG 8 2HH1 ARG 8 8.109 -22.742 -1.565 32 HH21 ARG 8 1HH2 ARG 8 6.571 -21.420 1.326 33 HH22 ARG 8 2HH2 ARG 8 8.032 -21.969 0.690 34 H HIS 9 H HIS 9 2.093 -17.268 -0.565 35 HA HIS 9 HA HIS 9 0.297 -17.388 1.815 36 HD2 HIS 9 HD2 HIS 9 2.317 -17.865 3.907 37 HE1 HIS 9 HE1 HIS 9 6.216 -16.795 2.623 38 HE2 HIS 9 HE2 HIS 9 4.873 -18.203 4.269 39 HB2 HIS 9 1HB HIS 9 2.231 -15.214 0.983 40 HB3 HIS 9 2HB HIS 9 1.340 -15.328 2.499 41 H ILE 10 H ILE 10 -0.376 -17.219 -1.144 42 HA ILE 10 HA ILE 10 -0.764 -14.618 -1.748 43 HB ILE 10 HB ILE 10 -2.345 -16.967 -2.878 44 HG12 ILE 10 1HG1 ILE 10 0.097 -17.202 -3.163 45 HG13 ILE 10 2HG1 ILE 10 -0.709 -16.925 -4.717 46 HG21 ILE 10 1HG2 ILE 10 -3.463 -14.900 -3.347 47 HG22 ILE 10 2HG2 ILE 10 -2.787 -15.591 -4.828 48 HG23 ILE 10 3HG2 ILE 10 -1.990 -14.221 -4.037 49 HD11 ILE 10 3HD1 ILE 10 1.387 -15.742 -4.498 50 HD12 ILE 10 1HD1 ILE 10 0.770 -14.924 -3.066 51 HD13 ILE 10 2HD1 ILE 10 0.032 -14.602 -4.650 52 H ARG 11 H ARG 11 -2.770 -17.131 -0.535 53 HA ARG 11 HA ARG 11 -5.231 -15.864 -0.158 54 HE ARG 11 HE ARG 11 -2.837 -20.104 -0.057 55 HB2 ARG 11 1HB ARG 11 -3.966 -18.035 1.485 56 HB3 ARG 11 2HB ARG 11 -5.673 -17.629 1.542 57 HG2 ARG 11 1HG ARG 11 -6.067 -18.502 -0.589 58 HG3 ARG 11 2HG ARG 11 -4.350 -18.458 -1.015 59 HD2 ARG 11 1HD ARG 11 -5.534 -20.238 1.122 60 HD3 ARG 11 2HD ARG 11 -5.141 -20.753 -0.527 61 HH11 ARG 11 1HH1 ARG 11 -4.865 -21.133 2.687 62 HH12 ARG 11 2HH1 ARG 11 -3.522 -21.367 3.712 63 HH21 ARG 11 1HH2 ARG 11 -1.049 -20.414 1.409 64 HH22 ARG 11 2HH2 ARG 11 -1.342 -20.954 2.991 65 H LYS 12 H LYS 12 -2.408 -16.131 1.934 66 HA LYS 12 HA LYS 12 -3.507 -15.057 4.279 67 HB2 LYS 12 1HB LYS 12 -0.682 -15.425 3.360 68 HB3 LYS 12 2HB LYS 12 -1.071 -14.739 4.926 69 HG2 LYS 12 1HG LYS 12 -1.934 -17.456 3.967 70 HG3 LYS 12 2HG LYS 12 -0.558 -17.133 5.041 71 HD2 LYS 12 1HD LYS 12 -2.117 -16.069 6.634 72 HD3 LYS 12 2HD LYS 12 -3.462 -16.505 5.584 73 HE2 LYS 12 1HE LYS 12 -2.908 -18.841 5.834 74 HE3 LYS 12 2HE LYS 12 -1.574 -18.424 6.914 75 HZ1 LYS 12 3HZ LYS 12 -3.195 -17.393 8.420 76 HZ2 LYS 12 1HZ LYS 12 -3.540 -19.026 8.196 77 HZ3 LYS 12 2HZ LYS 12 -4.449 -17.856 7.400 78 H GLY 13 H GLY 13 -2.088 -13.547 1.539 79 HA2 GLY 13 1HA GLY 13 -2.197 -10.986 3.011 80 HA3 GLY 13 2HA GLY 13 -0.987 -11.305 1.804 81 H LEU 14 H LEU 14 -3.877 -12.602 0.767 82 HA LEU 14 HA LEU 14 -4.720 -10.063 -0.355 83 HG LEU 14 HG LEU 14 -4.876 -9.932 -2.865 84 HB2 LEU 14 1HB LEU 14 -3.316 -11.564 -1.861 85 HB3 LEU 14 2HB LEU 14 -4.656 -12.701 -1.777 86 HD11 LEU 14 1HD1 LEU 14 -3.269 -11.200 -4.107 87 HD12 LEU 14 2HD1 LEU 14 -4.766 -11.043 -5.048 88 HD13 LEU 14 3HD1 LEU 14 -4.387 -12.555 -4.211 89 HD21 LEU 14 3HD2 LEU 14 -7.048 -10.746 -2.347 90 HD22 LEU 14 1HD2 LEU 14 -6.642 -12.354 -2.989 91 HD23 LEU 14 2HD2 LEU 14 -6.760 -11.010 -4.084 92 H GLU 15 H GLU 15 -6.704 -9.766 0.286 93 HA GLU 15 HA GLU 15 -8.262 -12.135 0.801 94 HB2 GLU 15 1HB GLU 15 -7.299 -11.049 2.873 95 HB3 GLU 15 2HB GLU 15 -8.316 -9.665 2.513 96 HG2 GLU 15 1HG GLU 15 -8.954 -11.280 4.255 97 HG3 GLU 15 2HG GLU 15 -10.177 -10.726 3.110 98 H GLN 16 H GLN 16 -9.542 -11.894 -1.066 99 HA GLN 16 HA GLN 16 -9.856 -9.613 -2.481 100 HB2 GLN 16 1HB GLN 16 -11.768 -11.916 -2.677 101 HB3 GLN 16 2HB GLN 16 -11.455 -10.639 -3.851 102 HG2 GLN 16 1HG GLN 16 -9.152 -11.438 -4.108 103 HG3 GLN 16 2HG GLN 16 -9.510 -12.738 -2.962 104 HE21 GLN 16 1HE2 GLN 16 -10.803 -14.385 -3.598 105 HE22 GLN 16 2HE2 GLN 16 -11.189 -14.660 -5.272 106 H GLY 17 H GLY 17 -12.180 -10.975 -0.274 107 HA2 GLY 17 1HA GLY 17 -14.419 -9.336 -1.114 108 HA3 GLY 17 2HA GLY 17 -14.389 -10.327 0.352 109 H ASN 18 H ASN 18 -11.987 -9.098 1.241 110 HA ASN 18 HA ASN 18 -13.045 -6.887 2.716 111 HB2 ASN 18 1HB ASN 18 -11.453 -8.555 3.611 112 HB3 ASN 18 2HB ASN 18 -10.263 -8.023 2.440 113 HD21 ASN 18 1HD2 ASN 18 -8.811 -7.555 3.920 114 HD22 ASN 18 2HD2 ASN 18 -8.918 -6.258 5.047 115 H LEU 19 H LEU 19 -10.941 -7.362 -0.011 116 HA LEU 19 HA LEU 19 -9.719 -4.867 -0.315 117 HG LEU 19 HG LEU 19 -8.306 -7.634 -2.342 118 HB2 LEU 19 1HB LEU 19 -10.428 -7.045 -2.225 119 HB3 LEU 19 2HB LEU 19 -9.809 -5.509 -2.820 120 HD11 LEU 19 1HD1 LEU 19 -6.399 -6.058 -2.101 121 HD12 LEU 19 2HD1 LEU 19 -7.587 -4.744 -1.907 122 HD13 LEU 19 3HD1 LEU 19 -7.518 -5.687 -3.418 123 HD21 LEU 19 3HD2 LEU 19 -7.045 -7.344 -0.281 124 HD22 LEU 19 1HD2 LEU 19 -8.746 -7.672 0.045 125 HD23 LEU 19 2HD2 LEU 19 -8.120 -6.026 0.190 126 H LYS 20 H LYS 20 -12.803 -6.035 -1.730 127 HA LYS 20 HA LYS 20 -13.271 -3.813 -3.407 128 HB2 LYS 20 1HB LYS 20 -15.134 -5.765 -2.045 129 HB3 LYS 20 2HB LYS 20 -15.716 -4.483 -3.075 130 HG2 LYS 20 1HG LYS 20 -15.698 -6.519 -4.302 131 HG3 LYS 20 2HG LYS 20 -14.434 -5.474 -4.948 132 HD2 LYS 20 1HD LYS 20 -12.781 -6.740 -3.694 133 HD3 LYS 20 2HD LYS 20 -14.068 -7.781 -3.061 134 HE2 LYS 20 1HE LYS 20 -13.325 -7.443 -5.964 135 HE3 LYS 20 2HE LYS 20 -12.889 -8.812 -4.927 136 HZ1 LYS 20 3HZ LYS 20 -14.788 -9.277 -6.337 137 HZ2 LYS 20 1HZ LYS 20 -15.662 -8.013 -5.646 138 HZ3 LYS 20 2HZ LYS 20 -15.220 -9.352 -4.709 139 H LYS 21 H LYS 21 -13.800 -4.191 0.042 140 HA LYS 21 HA LYS 21 -15.673 -2.003 0.181 141 HB2 LYS 21 1HB LYS 21 -14.144 -3.323 2.400 142 HB3 LYS 21 2HB LYS 21 -15.677 -2.481 2.516 143 HG2 LYS 21 1HG LYS 21 -15.180 -5.078 1.118 144 HG3 LYS 21 2HG LYS 21 -15.922 -4.915 2.701 145 HD2 LYS 21 1HD LYS 21 -16.972 -4.062 -0.002 146 HD3 LYS 21 2HD LYS 21 -17.626 -5.293 1.076 147 HE2 LYS 21 1HE LYS 21 -17.602 -2.308 1.616 148 HE3 LYS 21 2HE LYS 21 -18.996 -3.231 1.088 149 HZ1 LYS 21 3HZ LYS 21 -18.843 -4.509 3.171 150 HZ2 LYS 21 1HZ LYS 21 -19.080 -2.858 3.435 151 HZ3 LYS 21 2HZ LYS 21 -17.565 -3.521 3.665 152 H ALA 22 H ALA 22 -12.253 -2.570 0.452 153 HA ALA 22 HA ALA 22 -11.750 -0.128 1.857 154 HB1 ALA 22 3HB ALA 22 -10.363 -2.082 2.232 155 HB2 ALA 22 1HB ALA 22 -9.410 -0.772 1.544 156 HB3 ALA 22 2HB ALA 22 -9.938 -2.115 0.528 157 H LEU 23 H LEU 23 -11.588 -1.409 -1.405 158 HA LEU 23 HA LEU 23 -10.281 0.857 -2.562 159 HG LEU 23 HG LEU 23 -10.697 -2.601 -2.869 160 HB2 LEU 23 1HB LEU 23 -11.997 -1.067 -4.033 161 HB3 LEU 23 2HB LEU 23 -10.587 -0.185 -4.611 162 HD11 LEU 23 1HD1 LEU 23 -10.867 -3.043 -5.165 163 HD12 LEU 23 2HD1 LEU 23 -9.334 -3.618 -4.522 164 HD13 LEU 23 3HD1 LEU 23 -9.387 -2.134 -5.489 165 HD21 LEU 23 3HD2 LEU 23 -8.996 -1.208 -1.849 166 HD22 LEU 23 1HD2 LEU 23 -8.180 -0.988 -3.408 167 HD23 LEU 23 2HD2 LEU 23 -8.260 -2.581 -2.629 168 H VAL 24 H VAL 24 -13.364 0.328 -1.534 169 HA VAL 24 HA VAL 24 -14.725 2.205 -3.178 170 HB VAL 24 HB VAL 24 -15.264 1.454 -0.287 171 HG11 VAL 24 1HG1 VAL 24 -17.025 2.988 -2.193 172 HG12 VAL 24 2HG1 VAL 24 -16.131 3.646 -0.825 173 HG13 VAL 24 3HG1 VAL 24 -17.448 2.493 -0.539 174 HG21 VAL 24 3HG2 VAL 24 -17.092 0.126 -1.217 175 HG22 VAL 24 1HG2 VAL 24 -15.525 -0.382 -1.842 176 HG23 VAL 24 2HG2 VAL 24 -16.602 0.594 -2.848 177 H ASN 25 H ASN 25 -12.995 2.545 -0.122 178 HA ASN 25 HA ASN 25 -13.325 5.482 -0.225 179 HB2 ASN 25 1HB ASN 25 -12.677 3.666 2.110 180 HB3 ASN 25 2HB ASN 25 -12.743 5.433 2.194 181 HD21 ASN 25 1HD2 ASN 25 -14.568 2.474 2.112 182 HD22 ASN 25 2HD2 ASN 25 -16.110 3.203 2.375 183 H VAL 26 H VAL 26 -11.259 3.552 -1.481 184 HA VAL 26 HA VAL 26 -8.815 4.065 -0.158 185 HB VAL 26 HB VAL 26 -9.823 2.271 -1.566 186 HG11 VAL 26 1HG1 VAL 26 -10.225 3.272 -3.585 187 HG12 VAL 26 2HG1 VAL 26 -9.039 1.999 -3.797 188 HG13 VAL 26 3HG1 VAL 26 -8.514 3.695 -3.805 189 HG21 VAL 26 3HG2 VAL 26 -7.926 1.919 -0.473 190 HG22 VAL 26 1HG2 VAL 26 -6.943 2.871 -1.601 191 HG23 VAL 26 2HG2 VAL 26 -7.683 1.327 -2.122 192 H GLU 27 H GLU 27 -7.017 5.126 -1.270 193 HA GLU 27 HA GLU 27 -7.851 7.098 -3.226 194 HB2 GLU 27 1HB GLU 27 -7.307 7.966 -0.945 195 HB3 GLU 27 2HB GLU 27 -5.656 7.371 -1.233 196 HG2 GLU 27 1HG GLU 27 -5.710 9.553 -1.676 197 HG3 GLU 27 2HG GLU 27 -5.687 8.734 -3.256 198 H TRP 28 H TRP 28 -7.045 6.312 -4.979 199 HA TRP 28 HA TRP 28 -4.905 4.454 -4.966 200 HD1 TRP 28 HD1 TRP 28 -8.641 4.531 -6.882 201 HE1 TRP 28 HE1 TRP 28 -9.467 2.140 -6.433 202 HE3 TRP 28 HE3 TRP 28 -4.168 2.369 -6.072 203 HZ2 TRP 28 HZ2 TRP 28 -8.290 -0.355 -5.909 204 HZ3 TRP 28 HZ3 TRP 28 -4.066 -0.041 -5.586 205 HH2 TRP 28 HH2 TRP 28 -6.091 -1.371 -5.481 206 HB2 TRP 28 1HB TRP 28 -6.517 5.687 -7.070 207 HB3 TRP 28 2HB TRP 28 -5.164 4.650 -7.511 208 H ASN 29 H ASN 29 -2.947 4.683 -5.137 209 HA ASN 29 HA ASN 29 -0.910 5.401 -5.450 210 HB2 ASN 29 1HB ASN 29 -2.279 6.941 -7.559 211 HB3 ASN 29 2HB ASN 29 -0.614 7.444 -7.139 212 HD21 ASN 29 1HD2 ASN 29 1.003 5.977 -7.413 213 HD22 ASN 29 2HD2 ASN 29 0.838 4.575 -8.416 214 H ILE 30 H ILE 30 -2.790 6.486 -3.522 215 HA ILE 30 HA ILE 30 -0.951 8.519 -2.589 216 HB ILE 30 HB ILE 30 -3.945 8.546 -2.294 217 HG12 ILE 30 1HG1 ILE 30 -2.125 10.216 -4.043 218 HG13 ILE 30 2HG1 ILE 30 -3.645 9.339 -4.337 219 HG21 ILE 30 1HG2 ILE 30 -3.030 9.247 -0.265 220 HG22 ILE 30 2HG2 ILE 30 -3.694 10.664 -1.076 221 HG23 ILE 30 3HG2 ILE 30 -1.937 10.400 -1.049 222 HD11 ILE 30 3HD1 ILE 30 -3.895 11.789 -4.469 223 HD12 ILE 30 1HD1 ILE 30 -3.497 11.879 -2.754 224 HD13 ILE 30 2HD1 ILE 30 -4.941 11.013 -3.279 225 H CYS 31 H CYS 31 -0.014 7.481 -1.047 226 HA CYS 31 HA CYS 31 -1.037 5.416 0.495 227 HB2 CYS 31 1HB CYS 31 1.256 5.653 0.723 228 HB3 CYS 31 2HB CYS 31 1.251 7.368 1.045 229 H GLN 32 H GLN 32 -2.793 5.444 1.429 230 HA GLN 32 HA GLN 32 -4.375 7.573 2.313 231 HB2 GLN 32 1HB GLN 32 -4.364 4.800 3.461 232 HB3 GLN 32 2HB GLN 32 -5.727 5.925 3.411 233 HG2 GLN 32 1HG GLN 32 -5.538 5.902 1.011 234 HG3 GLN 32 2HG GLN 32 -4.409 4.550 1.152 235 HE21 GLN 32 1HE2 GLN 32 -7.673 5.568 1.650 236 HE22 GLN 32 2HE2 GLN 32 -8.294 3.967 1.918 237 H ASP 33 H ASP 33 -2.119 5.643 3.791 238 HA ASP 33 HA ASP 33 -2.486 6.567 6.463 239 HB2 ASP 33 1HB ASP 33 -1.351 4.397 5.775 240 HB3 ASP 33 2HB ASP 33 0.092 5.378 5.474 241 H CYS 34 H CYS 34 -0.925 8.162 3.724 242 HA CYS 34 HA CYS 34 0.623 9.870 5.325 243 HB2 CYS 34 1HB CYS 34 0.012 9.376 2.512 244 HB3 CYS 34 2HB CYS 34 0.385 11.031 2.933 245 H LYS 35 H LYS 35 -2.453 9.690 3.773 246 HA LYS 35 HA LYS 35 -2.968 12.538 4.041 247 HB2 LYS 35 1HB LYS 35 -5.231 12.033 3.118 248 HB3 LYS 35 2HB LYS 35 -3.875 11.619 2.049 249 HG2 LYS 35 1HG LYS 35 -4.123 9.338 2.769 250 HG3 LYS 35 2HG LYS 35 -5.510 9.789 3.771 251 HD2 LYS 35 1HD LYS 35 -5.293 10.098 0.797 252 HD3 LYS 35 2HD LYS 35 -6.161 8.792 1.631 253 HE2 LYS 35 1HE LYS 35 -7.604 10.551 2.687 254 HE3 LYS 35 2HE LYS 35 -6.805 11.752 1.676 255 HZ1 LYS 35 3HZ LYS 35 -7.694 10.548 -0.317 256 HZ2 LYS 35 1HZ LYS 35 -8.892 11.067 0.736 257 HZ3 LYS 35 2HZ LYS 35 -8.455 9.470 0.724 258 H THR 36 H THR 36 -3.870 9.628 5.741 259 HA THR 36 HA THR 36 -5.610 11.212 7.338 260 HB THR 36 HB THR 36 -6.026 9.017 8.578 261 HG1 THR 36 HG1 THR 36 -4.481 7.632 8.076 262 HG21 THR 36 3HG2 THR 36 -7.574 9.897 6.952 263 HG22 THR 36 1HG2 THR 36 -7.500 8.137 6.821 264 HG23 THR 36 2HG2 THR 36 -6.660 9.152 5.637 265 H ASP 37 H ASP 37 -2.534 10.943 7.032 266 HA ASP 37 HA ASP 37 -1.805 10.497 9.787 267 HB2 ASP 37 1HB ASP 37 -0.199 9.871 7.941 268 HB3 ASP 37 2HB ASP 37 -0.038 11.598 7.605 269 H ASN 38 H ASN 38 -2.959 11.924 10.709 270 HA ASN 38 HA ASN 38 -2.585 14.703 10.232 271 HB2 ASN 38 1HB ASN 38 -3.715 13.319 12.675 272 HB3 ASN 38 2HB ASN 38 -3.563 15.077 12.544 273 HD21 ASN 38 1HD2 ASN 38 -5.907 13.368 12.792 274 HD22 ASN 38 2HD2 ASN 38 -6.912 13.756 11.433 275 H LYS 39 H LYS 39 -1.886 13.787 13.542 276 HA LYS 39 HA LYS 39 -0.192 14.361 14.903 277 HB2 LYS 39 1HB LYS 39 1.432 13.461 12.518 278 HB3 LYS 39 2HB LYS 39 2.095 13.694 14.136 279 HG2 LYS 39 1HG LYS 39 0.614 11.968 14.979 280 HG3 LYS 39 2HG LYS 39 0.018 11.705 13.335 281 HD2 LYS 39 1HD LYS 39 2.156 11.111 12.574 282 HD3 LYS 39 2HD LYS 39 2.906 11.565 14.108 283 HE2 LYS 39 1HE LYS 39 0.944 9.344 13.644 284 HE3 LYS 39 2HE LYS 39 2.687 9.163 13.918 285 HZ1 LYS 39 3HZ LYS 39 1.528 8.730 15.970 286 HZ2 LYS 39 1HZ LYS 39 0.660 10.156 15.860 287 HZ3 LYS 39 2HZ LYS 39 2.309 10.192 16.161 288 H VAL 40 H VAL 40 1.015 15.393 11.815 289 HA VAL 40 HA VAL 40 1.713 18.032 12.809 290 HB VAL 40 HB VAL 40 3.130 18.101 10.798 291 HG11 VAL 40 1HG1 VAL 40 4.120 17.236 12.833 292 HG12 VAL 40 2HG1 VAL 40 4.754 16.351 11.439 293 HG13 VAL 40 3HG1 VAL 40 3.517 15.622 12.458 294 HG21 VAL 40 3HG2 VAL 40 3.465 16.088 9.403 295 HG22 VAL 40 1HG2 VAL 40 1.805 16.676 9.306 296 HG23 VAL 40 2HG2 VAL 40 2.183 15.266 10.289 297 H LYS 41 H LYS 41 1.486 19.523 10.647 298 HA LYS 41 HA LYS 41 -1.233 19.030 9.632 299 HB2 LYS 41 1HB LYS 41 0.359 21.532 9.967 300 HB3 LYS 41 2HB LYS 41 -1.136 21.428 9.033 301 HG2 LYS 41 1HG LYS 41 -2.346 20.776 11.039 302 HG3 LYS 41 2HG LYS 41 -0.842 20.734 11.958 303 HD2 LYS 41 1HD LYS 41 -2.021 22.768 12.446 304 HD3 LYS 41 2HD LYS 41 -0.560 23.142 11.543 305 HE2 LYS 41 1HE LYS 41 -1.896 23.346 9.482 306 HE3 LYS 41 2HE LYS 41 -3.357 22.993 10.405 307 HZ1 LYS 41 3HZ LYS 41 -3.033 25.387 10.067 308 HZ2 LYS 41 1HZ LYS 41 -1.553 25.298 10.870 309 HZ3 LYS 41 2HZ LYS 41 -2.984 24.984 11.694 310 H ASP 42 H ASP 42 1.899 19.140 8.862 311 HA ASP 42 HA ASP 42 2.376 20.153 6.361 312 HB2 ASP 42 1HB ASP 42 3.247 17.600 7.419 313 HB3 ASP 42 2HB ASP 42 4.051 18.393 6.055 314 H LYS 43 H LYS 43 1.226 16.802 6.991 315 HA LYS 43 HA LYS 43 1.304 16.052 4.248 316 HB2 LYS 43 1HB LYS 43 -0.381 14.806 6.448 317 HB3 LYS 43 2HB LYS 43 -0.011 14.117 4.881 318 HG2 LYS 43 1HG LYS 43 2.040 14.682 7.007 319 HG3 LYS 43 2HG LYS 43 1.183 13.150 6.821 320 HD2 LYS 43 1HD LYS 43 3.022 12.633 5.569 321 HD3 LYS 43 2HD LYS 43 2.018 13.449 4.370 322 HE2 LYS 43 1HE LYS 43 3.260 15.477 4.565 323 HE3 LYS 43 2HE LYS 43 4.108 14.880 5.990 324 HZ1 LYS 43 3HZ LYS 43 4.385 13.786 3.233 325 HZ2 LYS 43 1HZ LYS 43 5.193 13.227 4.607 326 HZ3 LYS 43 2HZ LYS 43 5.524 14.758 4.024 327 H ALA 44 H ALA 44 -1.229 17.167 6.391 328 HA ALA 44 HA ALA 44 -3.315 17.086 4.483 329 HB1 ALA 44 3HB ALA 44 -4.558 18.402 6.091 330 HB2 ALA 44 1HB ALA 44 -3.068 18.707 6.984 331 HB3 ALA 44 2HB ALA 44 -3.714 17.061 6.892 332 H GLU 45 H GLU 45 -0.887 19.469 5.344 333 HA GLU 45 HA GLU 45 -2.232 21.461 3.662 334 HB2 GLU 45 1HB GLU 45 0.235 21.677 5.397 335 HB3 GLU 45 2HB GLU 45 -0.345 22.976 4.350 336 HG2 GLU 45 1HG GLU 45 -2.482 22.938 5.632 337 HG3 GLU 45 2HG GLU 45 -1.733 21.773 6.726 338 H GLU 46 H GLU 46 -0.963 18.982 2.815 339 HA GLU 46 HA GLU 46 0.405 18.088 1.377 340 HB2 GLU 46 1HB GLU 46 0.300 18.941 -0.922 341 HB3 GLU 46 2HB GLU 46 -1.277 18.810 -0.149 342 HG2 GLU 46 1HG GLU 46 -1.347 21.213 0.156 343 HG3 GLU 46 2HG GLU 46 0.279 21.360 -0.504 344 H GLU 47 H GLU 47 2.207 18.162 2.497 345 HA GLU 47 HA GLU 47 4.281 20.049 2.232 346 HB2 GLU 47 1HB GLU 47 4.508 18.518 3.989 347 HB3 GLU 47 2HB GLU 47 4.142 17.131 2.962 348 HG2 GLU 47 1HG GLU 47 6.258 17.301 1.905 349 HG3 GLU 47 2HG GLU 47 6.651 18.769 2.797 350 H THR 48 H THR 48 3.273 17.279 0.479 351 HA THR 48 HA THR 48 3.763 16.293 -1.321 352 HB THR 48 HB THR 48 4.931 18.895 -2.265 353 HG1 THR 48 HG1 THR 48 2.392 17.975 -1.720 354 HG21 THR 48 3HG2 THR 48 3.728 16.548 -3.739 355 HG22 THR 48 1HG2 THR 48 5.439 16.960 -3.702 356 HG23 THR 48 2HG2 THR 48 4.289 18.042 -4.502 357 H GLU 49 H GLU 49 4.956 14.904 -0.540 358 HA GLU 49 HA GLU 49 7.766 15.254 -0.151 359 HB2 GLU 49 1HB GLU 49 7.648 12.917 0.671 360 HB3 GLU 49 2HB GLU 49 6.649 14.060 1.577 361 HG2 GLU 49 1HG GLU 49 5.660 12.323 -0.594 362 HG3 GLU 49 2HG GLU 49 5.669 11.763 1.094 363 H GLU 50 H GLU 50 9.271 13.767 -1.086 364 HA GLU 50 HA GLU 50 9.015 13.751 -3.861 365 HB2 GLU 50 1HB GLU 50 10.954 12.258 -2.120 366 HB3 GLU 50 2HB GLU 50 11.103 12.434 -3.864 367 HG2 GLU 50 1HG GLU 50 11.168 14.883 -3.556 368 HG3 GLU 50 2HG GLU 50 11.170 14.626 -1.813 369 H LYS 51 H LYS 51 8.333 12.366 -5.253 370 HA LYS 51 HA LYS 51 6.341 10.717 -4.799 371 HB2 LYS 51 1HB LYS 51 8.155 10.898 -7.164 372 HB3 LYS 51 2HB LYS 51 6.848 9.712 -7.121 373 HG2 LYS 51 1HG LYS 51 6.033 11.605 -8.302 374 HG3 LYS 51 2HG LYS 51 5.273 11.620 -6.718 375 HD2 LYS 51 1HD LYS 51 6.871 13.320 -5.974 376 HD3 LYS 51 2HD LYS 51 7.625 13.309 -7.572 377 HE2 LYS 51 1HE LYS 51 5.418 13.957 -8.536 378 HE3 LYS 51 2HE LYS 51 4.799 14.093 -6.897 379 HZ1 LYS 51 3HZ LYS 51 5.440 16.243 -7.749 380 HZ2 LYS 51 1HZ LYS 51 7.007 15.722 -8.050 381 HZ3 LYS 51 2HZ LYS 51 6.461 15.846 -6.481 382 HA PRO 52 HA PRO 52 8.463 7.175 -3.264 383 HB2 PRO 52 1HB PRO 52 6.868 6.837 -1.240 384 HB3 PRO 52 2HB PRO 52 7.681 8.453 -1.509 385 HG2 PRO 52 1HG PRO 52 4.900 7.698 -2.326 386 HG3 PRO 52 2HG PRO 52 5.378 8.951 -1.154 387 HD2 PRO 52 1HD PRO 52 5.145 9.532 -3.853 388 HD3 PRO 52 2HD PRO 52 6.297 10.282 -2.729 389 H SER 53 H SER 53 7.875 4.938 -3.266 390 HA SER 53 HA SER 53 5.981 4.267 -5.208 391 HG SER 53 HG SER 53 8.865 2.252 -3.388 392 HB2 SER 53 1HB SER 53 6.658 1.931 -4.315 393 HB3 SER 53 2HB SER 53 7.874 2.913 -5.160 394 H VAL 54 H VAL 54 4.041 3.512 -4.882 395 HA VAL 54 HA VAL 54 3.014 3.766 -2.160 396 HB VAL 54 HB VAL 54 1.554 4.234 -4.778 397 HG11 VAL 54 1HG1 VAL 54 -0.331 4.839 -3.523 398 HG12 VAL 54 2HG1 VAL 54 0.537 4.683 -1.985 399 HG13 VAL 54 3HG1 VAL 54 0.161 3.239 -2.945 400 HG21 VAL 54 3HG2 VAL 54 2.346 6.126 -2.577 401 HG22 VAL 54 1HG2 VAL 54 1.439 6.524 -4.042 402 HG23 VAL 54 2HG2 VAL 54 3.131 5.983 -4.143 403 H TRP 55 H TRP 55 2.804 1.936 -1.405 404 HA TRP 55 HA TRP 55 2.175 -0.343 -3.110 405 HD1 TRP 55 HD1 TRP 55 5.334 1.315 -1.130 406 HE1 TRP 55 HE1 TRP 55 7.500 0.780 -2.400 407 HE3 TRP 55 HE3 TRP 55 4.033 -3.221 -3.099 408 HZ2 TRP 55 HZ2 TRP 55 8.533 -1.296 -4.009 409 HZ3 TRP 55 HZ3 TRP 55 5.672 -4.418 -4.480 410 HH2 TRP 55 HH2 TRP 55 7.872 -3.475 -4.930 411 HB2 TRP 55 1HB TRP 55 3.324 -0.314 -0.302 412 HB3 TRP 55 2HB TRP 55 3.036 -1.745 -1.299 413 H LEU 56 H LEU 56 0.331 -1.169 -3.031 414 HA LEU 56 HA LEU 56 -1.622 -0.387 -0.982 415 HG LEU 56 HG LEU 56 -3.689 -2.045 -1.437 416 HB2 LEU 56 1HB LEU 56 -2.471 -0.101 -3.190 417 HB3 LEU 56 2HB LEU 56 -2.074 -1.753 -3.650 418 HD11 LEU 56 1HD1 LEU 56 -4.346 0.216 -1.388 419 HD12 LEU 56 2HD1 LEU 56 -5.707 -0.785 -1.890 420 HD13 LEU 56 3HD1 LEU 56 -4.822 0.163 -3.084 421 HD21 LEU 56 3HD2 LEU 56 -4.398 -2.185 -4.344 422 HD22 LEU 56 1HD2 LEU 56 -5.375 -2.845 -3.014 423 HD23 LEU 56 2HD2 LEU 56 -3.745 -3.459 -3.293 424 H CYS 57 H CYS 57 -2.047 -1.733 0.605 425 HA CYS 57 HA CYS 57 -1.051 -4.377 0.942 426 HB2 CYS 57 1HB CYS 57 -1.824 -2.669 2.679 427 HB3 CYS 57 2HB CYS 57 -3.460 -3.123 2.229 428 H LEU 58 H LEU 58 -1.664 -6.072 -0.439 429 HA LEU 58 HA LEU 58 -4.151 -6.128 -1.794 430 HG LEU 58 HG LEU 58 -1.889 -5.917 -3.029 431 HB2 LEU 58 1HB LEU 58 -1.844 -7.958 -1.300 432 HB3 LEU 58 2HB LEU 58 -3.240 -8.458 -2.243 433 HD11 LEU 58 1HD1 LEU 58 -0.901 -8.678 -3.748 434 HD12 LEU 58 2HD1 LEU 58 -0.065 -7.490 -2.720 435 HD13 LEU 58 3HD1 LEU 58 -0.372 -7.121 -4.416 436 HD21 LEU 58 3HD2 LEU 58 -3.197 -8.194 -4.451 437 HD22 LEU 58 1HD2 LEU 58 -2.575 -6.732 -5.217 438 HD23 LEU 58 2HD2 LEU 58 -3.936 -6.629 -4.086 439 H LYS 59 H LYS 59 -3.237 -6.748 1.186 440 HA LYS 59 HA LYS 59 -5.189 -8.774 1.754 441 HB2 LYS 59 1HB LYS 59 -3.129 -8.850 2.966 442 HB3 LYS 59 2HB LYS 59 -3.396 -7.243 3.645 443 HG2 LYS 59 1HG LYS 59 -3.962 -8.869 5.320 444 HG3 LYS 59 2HG LYS 59 -5.368 -8.022 4.619 445 HD2 LYS 59 1HD LYS 59 -6.113 -9.738 3.484 446 HD3 LYS 59 2HD LYS 59 -4.658 -10.661 3.328 447 HE2 LYS 59 1HE LYS 59 -6.125 -11.879 4.714 448 HE3 LYS 59 2HE LYS 59 -4.887 -11.148 5.802 449 HZ1 LYS 59 3HZ LYS 59 -6.497 -9.805 6.717 450 HZ2 LYS 59 1HZ LYS 59 -7.383 -11.153 6.403 451 HZ3 LYS 59 2HZ LYS 59 -7.529 -9.827 5.389 452 H CYS 60 H CYS 60 -4.854 -5.357 2.561 453 HA CYS 60 HA CYS 60 -7.759 -5.395 3.177 454 HB2 CYS 60 1HB CYS 60 -7.545 -4.100 5.133 455 HB3 CYS 60 2HB CYS 60 -6.281 -5.349 5.161 456 H GLY 61 H GLY 61 -5.766 -4.045 1.065 457 HA2 GLY 61 1HA GLY 61 -6.185 -2.411 -0.491 458 HA3 GLY 61 2HA GLY 61 -7.754 -2.145 0.277 459 H HIS 62 H HIS 62 -5.016 -1.910 2.137 460 HA HIS 62 HA HIS 62 -5.188 1.023 2.500 461 HD1 HIS 62 HD1 HIS 62 -1.303 0.267 4.132 462 HD2 HIS 62 HD2 HIS 62 -4.719 2.156 5.518 463 HE1 HIS 62 HE1 HIS 62 -0.491 2.125 5.592 464 HB2 HIS 62 1HB HIS 62 -4.973 -0.384 4.470 465 HB3 HIS 62 2HB HIS 62 -3.492 -1.087 3.822 466 H GLN 63 H GLN 63 -4.066 2.361 1.252 467 HA GLN 63 HA GLN 63 -1.548 1.434 0.154 468 HB2 GLN 63 1HB GLN 63 -2.861 4.097 -0.283 469 HB3 GLN 63 2HB GLN 63 -1.256 3.706 -0.871 470 HG2 GLN 63 1HG GLN 63 -2.323 3.140 -2.683 471 HG3 GLN 63 2HG GLN 63 -2.632 1.636 -1.813 472 HE21 GLN 63 1HE2 GLN 63 -4.229 2.878 -3.865 473 HE22 GLN 63 2HE2 GLN 63 -5.790 3.129 -3.141 474 H GLY 64 H GLY 64 0.212 1.752 0.772 475 HA2 GLY 64 1HA GLY 64 0.906 3.896 2.643 476 HA3 GLY 64 2HA GLY 64 1.466 2.233 2.902 477 H CYS 65 H CYS 65 2.946 4.602 2.562 478 HA CYS 65 HA CYS 65 4.007 4.417 -0.084 479 HB2 CYS 65 1HB CYS 65 5.404 6.393 0.680 480 HB3 CYS 65 2HB CYS 65 3.658 6.620 0.769 481 H GLY 66 H GLY 66 5.921 3.542 -0.552 482 HA2 GLY 66 1HA GLY 66 6.779 1.483 1.224 483 HA3 GLY 66 2HA GLY 66 7.354 1.779 -0.413 484 H ARG 67 H ARG 67 9.403 1.411 0.007 485 HA ARG 67 HA ARG 67 10.758 2.259 2.363 486 HE ARG 67 HE ARG 67 11.691 -1.341 -1.127 487 HB2 ARG 67 1HB ARG 67 11.971 1.163 -0.180 488 HB3 ARG 67 2HB ARG 67 12.675 1.150 1.433 489 HG2 ARG 67 1HG ARG 67 10.722 -0.264 2.168 490 HG3 ARG 67 2HG ARG 67 10.296 -0.317 0.450 491 HD2 ARG 67 1HD ARG 67 13.005 -1.217 1.366 492 HD3 ARG 67 2HD ARG 67 11.628 -2.304 1.471 493 HH11 ARG 67 1HH1 ARG 67 13.932 -3.173 0.949 494 HH12 ARG 67 2HH1 ARG 67 14.493 -4.158 -0.302 495 HH21 ARG 67 1HH2 ARG 67 12.480 -2.740 -2.848 496 HH22 ARG 67 2HH2 ARG 67 13.690 -3.882 -2.491 497 H ASN 68 H ASN 68 10.064 3.716 -0.531 498 HA ASN 68 HA ASN 68 12.421 5.431 -0.696 499 HB2 ASN 68 1HB ASN 68 9.920 5.371 -2.336 500 HB3 ASN 68 2HB ASN 68 11.411 6.230 -2.760 501 HD21 ASN 68 1HD2 ASN 68 9.976 4.189 -4.228 502 HD22 ASN 68 2HD2 ASN 68 11.046 2.838 -4.411 503 H SER 69 H SER 69 10.195 5.580 1.475 504 HA SER 69 HA SER 69 9.610 8.389 0.988 505 HG SER 69 HG SER 69 8.052 5.318 2.220 506 HB2 SER 69 1HB SER 69 7.623 8.110 2.367 507 HB3 SER 69 2HB SER 69 7.565 7.077 0.925 508 H GLN 70 H GLN 70 9.348 9.634 3.046 509 HA GLN 70 HA GLN 70 11.505 9.243 4.850 510 HB2 GLN 70 1HB GLN 70 10.584 11.449 4.251 511 HB3 GLN 70 2HB GLN 70 9.062 11.010 5.035 512 HG2 GLN 70 1HG GLN 70 10.392 10.778 7.166 513 HG3 GLN 70 2HG GLN 70 11.735 11.525 6.301 514 HE21 GLN 70 1HE2 GLN 70 10.205 12.478 8.595 515 HE22 GLN 70 2HE2 GLN 70 9.603 14.036 8.128 516 H GLU 71 H GLU 71 8.063 8.642 4.886 517 HA GLU 71 HA GLU 71 7.955 8.130 7.736 518 HB2 GLU 71 1HB GLU 71 5.852 7.850 5.621 519 HB3 GLU 71 2HB GLU 71 5.604 7.830 7.368 520 HG2 GLU 71 1HG GLU 71 6.674 10.152 5.803 521 HG3 GLU 71 2HG GLU 71 4.981 9.951 6.288 522 H GLN 72 H GLN 72 7.837 6.296 4.695 523 HA GLN 72 HA GLN 72 7.608 4.154 4.192 524 HB2 GLN 72 1HB GLN 72 9.231 3.973 6.723 525 HB3 GLN 72 2HB GLN 72 8.979 2.563 5.693 526 HG2 GLN 72 1HG GLN 72 10.016 3.795 3.833 527 HG3 GLN 72 2HG GLN 72 10.357 5.119 4.946 528 HE21 GLN 72 1HE2 GLN 72 11.091 1.916 4.088 529 HE22 GLN 72 2HE2 GLN 72 12.546 1.986 5.038 530 H HIS 73 H HIS 73 5.275 5.005 5.048 531 HA HIS 73 HA HIS 73 4.179 3.934 7.288 532 HD2 HIS 73 HD2 HIS 73 3.331 5.923 8.584 533 HE1 HIS 73 HE1 HIS 73 2.448 9.289 6.137 534 HE2 HIS 73 HE2 HIS 73 2.903 8.480 8.591 535 HB2 HIS 73 1HB HIS 73 3.160 4.984 4.710 536 HB3 HIS 73 2HB HIS 73 2.084 4.341 5.942 537 H ALA 74 H ALA 74 4.542 2.547 4.088 538 HA ALA 74 HA ALA 74 2.789 0.235 4.428 539 HB1 ALA 74 3HB ALA 74 5.259 0.523 2.704 540 HB2 ALA 74 1HB ALA 74 3.633 0.984 2.202 541 HB3 ALA 74 2HB ALA 74 4.006 -0.707 2.548 542 H LEU 75 H LEU 75 6.086 0.920 5.258 543 HA LEU 75 HA LEU 75 6.701 -1.762 6.020 544 HG LEU 75 HG LEU 75 9.934 0.134 5.236 545 HB2 LEU 75 1HB LEU 75 8.047 0.881 6.621 546 HB3 LEU 75 2HB LEU 75 8.678 -0.679 7.136 547 HD11 LEU 75 1HD1 LEU 75 8.162 -2.141 4.438 548 HD12 LEU 75 2HD1 LEU 75 9.645 -2.228 5.396 549 HD13 LEU 75 3HD1 LEU 75 9.711 -1.709 3.710 550 HD21 LEU 75 3HD2 LEU 75 8.942 0.443 3.018 551 HD22 LEU 75 1HD2 LEU 75 8.258 1.589 4.169 552 HD23 LEU 75 2HD2 LEU 75 7.342 0.164 3.694 553 H LYS 76 H LYS 76 5.954 1.267 7.920 554 HA LYS 76 HA LYS 76 5.701 0.193 10.362 555 HB2 LYS 76 1HB LYS 76 3.830 2.161 9.065 556 HB3 LYS 76 2HB LYS 76 4.081 1.940 10.800 557 HG2 LYS 76 1HG LYS 76 6.329 2.740 10.615 558 HG3 LYS 76 2HG LYS 76 6.173 2.816 8.847 559 HD2 LYS 76 1HD LYS 76 5.921 5.013 9.697 560 HD3 LYS 76 2HD LYS 76 4.344 4.430 9.150 561 HE2 LYS 76 1HE LYS 76 3.691 3.910 11.442 562 HE3 LYS 76 2HE LYS 76 5.272 4.470 12.015 563 HZ1 LYS 76 3HZ LYS 76 3.174 6.185 10.744 564 HZ2 LYS 76 1HZ LYS 76 4.698 6.698 11.261 565 HZ3 LYS 76 2HZ LYS 76 3.591 6.121 12.357 566 H HIS 77 H HIS 77 3.441 -0.077 7.667 567 HA HIS 77 HA HIS 77 1.255 -1.060 9.247 568 HD1 HIS 77 HD1 HIS 77 -1.431 -0.035 7.840 569 HD2 HIS 77 HD2 HIS 77 -0.060 -3.467 5.924 570 HE1 HIS 77 HE1 HIS 77 -3.465 -1.314 7.155 571 HB2 HIS 77 1HB HIS 77 1.022 0.111 7.083 572 HB3 HIS 77 2HB HIS 77 1.732 -1.282 6.261 573 H TYR 78 H TYR 78 3.818 -2.535 7.384 574 HA TYR 78 HA TYR 78 2.892 -5.169 7.976 575 HD1 TYR 78 HD2 TYR 78 3.549 -7.320 6.923 576 HD2 TYR 78 HD1 TYR 78 7.355 -5.567 7.691 577 HE1 TYR 78 HE2 TYR 78 4.505 -9.561 7.284 578 HE2 TYR 78 HE1 TYR 78 8.315 -7.793 8.055 579 HH TYR 78 HH TYR 78 7.488 -10.015 8.724 580 HB2 TYR 78 1HB TYR 78 4.295 -4.855 6.127 581 HB3 TYR 78 2HB TYR 78 5.595 -4.161 7.109 582 H LEU 79 H LEU 79 5.054 -2.854 9.724 583 HA LEU 79 HA LEU 79 5.827 -4.853 11.547 584 HG LEU 79 HG LEU 79 7.374 -2.583 9.715 585 HB2 LEU 79 1HB LEU 79 6.132 -1.856 11.599 586 HB3 LEU 79 2HB LEU 79 6.945 -3.007 12.660 587 HD11 LEU 79 1HD1 LEU 79 9.658 -2.080 10.379 588 HD12 LEU 79 2HD1 LEU 79 9.216 -2.304 12.069 589 HD13 LEU 79 3HD1 LEU 79 8.492 -0.993 11.135 590 HD21 LEU 79 3HD2 LEU 79 7.364 -4.947 10.165 591 HD22 LEU 79 1HD2 LEU 79 8.531 -4.745 11.472 592 HD23 LEU 79 2HD2 LEU 79 9.006 -4.399 9.800 593 H THR 80 H THR 80 3.069 -3.288 11.003 594 HA THR 80 HA THR 80 2.258 -2.600 13.640 595 HB THR 80 HB THR 80 0.606 -3.415 11.236 596 HG1 THR 80 HG1 THR 80 1.911 -1.431 11.235 597 HG21 THR 80 3HG2 THR 80 -1.316 -2.404 12.408 598 HG22 THR 80 1HG2 THR 80 -0.314 -2.162 13.839 599 HG23 THR 80 2HG2 THR 80 -0.683 -3.796 13.279 600 HA PRO 81 HA PRO 81 1.966 -6.929 14.901 601 HB2 PRO 81 1HB PRO 81 1.372 -6.531 17.486 602 HB3 PRO 81 2HB PRO 81 3.017 -6.312 16.854 603 HG2 PRO 81 1HG PRO 81 0.924 -4.304 17.461 604 HG3 PRO 81 2HG PRO 81 2.691 -4.320 17.764 605 HD2 PRO 81 1HD PRO 81 1.497 -2.969 15.672 606 HD3 PRO 81 2HD PRO 81 3.178 -3.559 15.650 607 H ARG 82 H ARG 82 0.413 -7.904 14.434 608 HA ARG 82 HA ARG 82 -2.231 -7.637 15.550 609 HE ARG 82 HE ARG 82 -1.814 -4.623 11.568 610 HB2 ARG 82 1HB ARG 82 -3.391 -7.489 13.354 611 HB3 ARG 82 2HB ARG 82 -2.460 -6.043 13.751 612 HG2 ARG 82 1HG ARG 82 -0.732 -6.694 12.225 613 HG3 ARG 82 2HG ARG 82 -1.550 -8.232 11.895 614 HD2 ARG 82 1HD ARG 82 -1.979 -6.675 10.115 615 HD3 ARG 82 2HD ARG 82 -3.471 -6.972 11.024 616 HH11 ARG 82 1HH1 ARG 82 -5.012 -5.971 10.666 617 HH12 ARG 82 2HH1 ARG 82 -5.779 -4.482 10.689 618 HH21 ARG 82 1HH2 ARG 82 -2.976 -2.518 11.588 619 HH22 ARG 82 2HH2 ARG 82 -4.630 -2.508 11.238 620 H SER 83 H SER 83 -3.715 -9.415 14.347 621 HA SER 83 HA SER 83 -2.230 -11.842 14.728 622 HG SER 83 HG SER 83 -3.749 -11.276 16.386 623 HB2 SER 83 1HB SER 83 -5.115 -11.451 13.945 624 HB3 SER 83 2HB SER 83 -4.386 -12.913 14.617 625 H GLU 84 H GLU 84 -3.752 -10.158 12.034 626 HA GLU 84 HA GLU 84 -3.175 -12.274 10.142 627 HB2 GLU 84 1HB GLU 84 -4.109 -9.433 9.642 628 HB3 GLU 84 2HB GLU 84 -4.112 -10.788 8.520 629 HG2 GLU 84 1HG GLU 84 -5.820 -11.894 9.676 630 HG3 GLU 84 2HG GLU 84 -5.686 -10.814 11.062 631 HA PRO 85 HA PRO 85 0.800 -10.659 9.115 632 HB2 PRO 85 1HB PRO 85 1.100 -11.473 6.532 633 HB3 PRO 85 2HB PRO 85 1.223 -12.566 7.923 634 HG2 PRO 85 1HG PRO 85 -0.988 -12.177 5.979 635 HG3 PRO 85 2HG PRO 85 -0.474 -13.648 6.834 636 HD2 PRO 85 1HD PRO 85 -2.655 -12.067 7.507 637 HD3 PRO 85 2HD PRO 85 -1.834 -13.221 8.586 638 H HIS 86 H HIS 86 -1.502 -10.044 6.443 639 HA HIS 86 HA HIS 86 -1.754 -8.300 4.941 640 HD2 HIS 86 HD2 HIS 86 -3.018 -8.745 8.006 641 HE1 HIS 86 HE1 HIS 86 -5.679 -5.567 7.299 642 HE2 HIS 86 HE2 HIS 86 -5.380 -7.813 8.428 643 HB2 HIS 86 1HB HIS 86 -0.755 -6.752 7.347 644 HB3 HIS 86 2HB HIS 86 -1.276 -5.978 5.843 645 H CYS 87 H CYS 87 0.369 -9.749 4.492 646 HA CYS 87 HA CYS 87 2.681 -8.059 4.619 647 HG CYS 87 HG CYS 87 1.563 -11.500 2.880 648 HB2 CYS 87 1HB CYS 87 3.898 -10.149 3.897 649 HB3 CYS 87 2HB CYS 87 3.187 -10.035 5.512 650 H LEU 88 H LEU 88 0.435 -8.249 2.483 651 HA LEU 88 HA LEU 88 2.127 -8.331 0.084 652 HG LEU 88 HG LEU 88 1.318 -10.757 0.792 653 HB2 LEU 88 1HB LEU 88 -0.552 -9.510 0.598 654 HB3 LEU 88 2HB LEU 88 -0.128 -9.070 -1.033 655 HD11 LEU 88 1HD1 LEU 88 -0.294 -11.547 -1.673 656 HD12 LEU 88 2HD1 LEU 88 -0.710 -11.944 0.019 657 HD13 LEU 88 3HD1 LEU 88 0.735 -12.638 -0.741 658 HD21 LEU 88 3HD2 LEU 88 1.875 -10.157 -2.063 659 HD22 LEU 88 1HD2 LEU 88 2.544 -11.579 -1.272 660 HD23 LEU 88 2HD2 LEU 88 2.930 -9.976 -0.656 661 H VAL 89 H VAL 89 2.474 -6.806 -0.789 662 HA VAL 89 HA VAL 89 0.335 -4.850 -0.964 663 HB VAL 89 HB VAL 89 1.926 -3.026 -0.695 664 HG11 VAL 89 1HG1 VAL 89 0.779 -3.635 1.315 665 HG12 VAL 89 2HG1 VAL 89 2.460 -3.230 1.713 666 HG13 VAL 89 3HG1 VAL 89 1.956 -4.918 1.621 667 HG21 VAL 89 3HG2 VAL 89 4.216 -3.358 0.036 668 HG22 VAL 89 1HG2 VAL 89 3.880 -4.195 -1.479 669 HG23 VAL 89 2HG2 VAL 89 3.969 -5.117 0.029 670 H LEU 90 H LEU 90 0.230 -3.968 -2.947 671 HA LEU 90 HA LEU 90 2.223 -4.879 -4.892 672 HG LEU 90 HG LEU 90 -0.834 -2.963 -4.780 673 HB2 LEU 90 1HB LEU 90 0.561 -4.776 -6.577 674 HB3 LEU 90 2HB LEU 90 -0.254 -5.440 -5.170 675 HD11 LEU 90 1HD1 LEU 90 -0.536 -3.173 -7.752 676 HD12 LEU 90 2HD1 LEU 90 0.365 -2.107 -6.690 677 HD13 LEU 90 3HD1 LEU 90 -1.377 -1.835 -6.953 678 HD21 LEU 90 3HD2 LEU 90 -2.475 -4.706 -4.981 679 HD22 LEU 90 1HD2 LEU 90 -2.295 -4.714 -6.739 680 HD23 LEU 90 2HD2 LEU 90 -2.978 -3.308 -5.928 681 H SER 91 H SER 91 3.082 -3.329 -6.380 682 HA SER 91 HA SER 91 3.195 -0.705 -5.199 683 HG SER 91 HG SER 91 5.839 -2.000 -7.959 684 HB2 SER 91 1HB SER 91 5.235 -0.438 -6.366 685 HB3 SER 91 2HB SER 91 5.166 -2.155 -5.956 686 H LEU 92 H LEU 92 2.188 0.949 -5.983 687 HA LEU 92 HA LEU 92 0.675 0.768 -8.451 688 HG LEU 92 HG LEU 92 -0.498 0.805 -5.854 689 HB2 LEU 92 1HB LEU 92 0.995 2.825 -6.282 690 HB3 LEU 92 2HB LEU 92 0.018 3.105 -7.727 691 HD11 LEU 92 1HD1 LEU 92 -1.795 3.501 -5.916 692 HD12 LEU 92 2HD1 LEU 92 -0.678 2.949 -4.667 693 HD13 LEU 92 3HD1 LEU 92 -2.240 2.147 -4.873 694 HD21 LEU 92 3HD2 LEU 92 -2.156 2.293 -7.817 695 HD22 LEU 92 1HD2 LEU 92 -2.657 0.859 -6.915 696 HD23 LEU 92 2HD2 LEU 92 -1.390 0.725 -8.155 697 H ASP 93 H ASP 93 3.527 0.722 -8.366 698 HA ASP 93 HA ASP 93 4.333 3.215 -9.748 699 HB2 ASP 93 1HB ASP 93 5.416 2.471 -7.564 700 HB3 ASP 93 2HB ASP 93 6.098 1.167 -8.489 701 H ASN 94 H ASN 94 5.327 -0.118 -9.467 702 HA ASN 94 HA ASN 94 5.769 -0.213 -12.389 703 HB2 ASN 94 1HB ASN 94 7.860 -0.432 -11.040 704 HB3 ASN 94 2HB ASN 94 7.159 -1.818 -10.204 705 HD21 ASN 94 1HD2 ASN 94 8.580 -0.679 -13.128 706 HD22 ASN 94 2HD2 ASN 94 8.800 -2.255 -13.833 707 H TRP 95 H TRP 95 3.853 -1.126 -9.934 708 HA TRP 95 HA TRP 95 2.256 -2.604 -9.570 709 HD1 TRP 95 HD1 TRP 95 2.082 -0.410 -13.014 710 HE1 TRP 95 HE1 TRP 95 0.073 1.146 -12.644 711 HE3 TRP 95 HE3 TRP 95 -0.736 -3.408 -10.016 712 HZ2 TRP 95 HZ2 TRP 95 -2.369 1.128 -11.260 713 HZ3 TRP 95 HZ3 TRP 95 -2.887 -2.575 -9.201 714 HH2 TRP 95 HH2 TRP 95 -3.698 -0.347 -9.809 715 HB2 TRP 95 1HB TRP 95 2.438 -3.035 -12.562 716 HB3 TRP 95 2HB TRP 95 1.242 -3.849 -11.556 717 H SER 96 H SER 96 4.356 -3.347 -8.532 718 HA SER 96 HA SER 96 4.780 -6.125 -9.290 719 HG SER 96 HG SER 96 7.933 -4.767 -9.049 720 HB2 SER 96 1HB SER 96 6.270 -4.509 -7.253 721 HB3 SER 96 2HB SER 96 6.691 -6.086 -7.907 722 H VAL 97 H VAL 97 5.025 -7.498 -7.279 723 HA VAL 97 HA VAL 97 3.259 -6.544 -5.190 724 HB VAL 97 HB VAL 97 3.555 -9.274 -6.470 725 HG11 VAL 97 1HG1 VAL 97 2.119 -8.513 -3.977 726 HG12 VAL 97 2HG1 VAL 97 3.613 -9.488 -4.072 727 HG13 VAL 97 3HG1 VAL 97 2.082 -10.076 -4.830 728 HG21 VAL 97 3HG2 VAL 97 1.971 -7.552 -7.297 729 HG22 VAL 97 1HG2 VAL 97 1.124 -7.754 -5.762 730 HG23 VAL 97 2HG2 VAL 97 1.336 -9.164 -6.825 731 H TRP 98 H TRP 98 4.014 -6.915 -3.145 732 HA TRP 98 HA TRP 98 6.661 -8.120 -2.966 733 HD1 TRP 98 HD1 TRP 98 7.200 -6.708 0.837 734 HE1 TRP 98 HE1 TRP 98 9.694 -7.269 1.180 735 HE3 TRP 98 HE3 TRP 98 8.772 -6.335 -3.999 736 HZ2 TRP 98 HZ2 TRP 98 11.944 -7.520 -0.370 737 HZ3 TRP 98 HZ3 TRP 98 11.108 -6.742 -4.517 738 HH2 TRP 98 HH2 TRP 98 12.716 -7.319 -2.736 739 HB2 TRP 98 1HB TRP 98 6.652 -5.503 -2.715 740 HB3 TRP 98 2HB TRP 98 5.811 -5.841 -1.201 741 H CYS 99 H CYS 99 6.873 -9.608 -1.360 742 HA CYS 99 HA CYS 99 4.625 -9.708 0.476 743 HB2 CYS 99 1HB CYS 99 4.458 -11.603 -0.983 744 HB3 CYS 99 2HB CYS 99 6.154 -12.023 -0.777 745 H TYR 100 H TYR 100 5.274 -9.173 2.295 746 HA TYR 100 HA TYR 100 8.020 -8.661 2.795 747 HD1 TYR 100 HD2 TYR 100 8.268 -6.207 3.669 748 HD2 TYR 100 HD1 TYR 100 4.187 -7.275 3.854 749 HE1 TYR 100 HE2 TYR 100 7.681 -3.944 2.914 750 HE2 TYR 100 HE1 TYR 100 3.548 -4.989 3.090 751 HH TYR 100 HH TYR 100 5.777 -2.834 1.762 752 HB2 TYR 100 1HB TYR 100 5.701 -8.697 4.676 753 HB3 TYR 100 2HB TYR 100 7.327 -8.150 5.083 754 H VAL 101 H VAL 101 5.983 -11.325 3.515 755 HA VAL 101 HA VAL 101 7.852 -12.384 5.455 756 HB VAL 101 HB VAL 101 5.453 -12.639 5.841 757 HG11 VAL 101 1HG1 VAL 101 5.532 -14.328 3.408 758 HG12 VAL 101 2HG1 VAL 101 4.792 -12.764 3.573 759 HG13 VAL 101 3HG1 VAL 101 4.112 -14.161 4.461 760 HG21 VAL 101 3HG2 VAL 101 5.364 -15.032 6.401 761 HG22 VAL 101 1HG2 VAL 101 6.909 -14.312 6.858 762 HG23 VAL 101 2HG2 VAL 101 6.792 -15.305 5.404 763 H CYS 102 H CYS 102 7.286 -12.647 2.061 764 HA CYS 102 HA CYS 102 8.903 -15.049 1.760 765 HB2 CYS 102 1HB CYS 102 7.505 -13.143 -0.065 766 HB3 CYS 102 2HB CYS 102 8.848 -14.086 -0.703 767 H ASP 103 H ASP 103 8.925 -11.673 1.660 768 HA ASP 103 HA ASP 103 10.386 -10.027 1.659 769 HB2 ASP 103 1HB ASP 103 11.457 -11.416 3.412 770 HB3 ASP 103 2HB ASP 103 12.563 -12.073 2.193 771 H ASN 104 H ASN 104 9.588 -10.902 -0.818 772 HA ASN 104 HA ASN 104 11.761 -10.103 -2.362 773 HB2 ASN 104 1HB ASN 104 11.755 -11.976 -3.850 774 HB3 ASN 104 2HB ASN 104 11.958 -12.583 -2.181 775 HD21 ASN 104 1HD2 ASN 104 9.796 -12.216 -4.794 776 HD22 ASN 104 2HD2 ASN 104 8.515 -13.161 -4.171 777 H GLU 105 H GLU 105 10.693 -10.248 -4.755 778 HA GLU 105 HA GLU 105 8.212 -8.830 -4.633 779 HB2 GLU 105 1HB GLU 105 10.159 -8.178 -5.829 780 HB3 GLU 105 2HB GLU 105 9.975 -9.559 -6.904 781 HG2 GLU 105 1HG GLU 105 7.891 -8.852 -7.666 782 HG3 GLU 105 2HG GLU 105 7.863 -7.516 -6.507 783 H VAL 106 H VAL 106 6.317 -9.854 -5.304 784 HA VAL 106 HA VAL 106 6.506 -12.677 -6.037 785 HB VAL 106 HB VAL 106 3.927 -11.214 -5.337 786 HG11 VAL 106 1HG1 VAL 106 4.648 -14.154 -5.315 787 HG12 VAL 106 2HG1 VAL 106 3.618 -13.345 -6.497 788 HG13 VAL 106 3HG1 VAL 106 3.100 -13.471 -4.817 789 HG21 VAL 106 3HG2 VAL 106 4.180 -12.137 -3.087 790 HG22 VAL 106 1HG2 VAL 106 5.507 -11.036 -3.477 791 HG23 VAL 106 2HG2 VAL 106 5.757 -12.784 -3.545 792 H GLN 107 H GLN 107 5.234 -13.522 -7.757 793 HA GLN 107 HA GLN 107 4.678 -11.668 -9.847 794 HB2 GLN 107 1HB GLN 107 5.581 -13.430 -11.418 795 HB3 GLN 107 2HB GLN 107 6.797 -12.595 -10.444 796 HG2 GLN 107 1HG GLN 107 5.669 -15.254 -9.647 797 HG3 GLN 107 2HG GLN 107 7.025 -15.119 -10.762 798 HE21 GLN 107 1HE2 GLN 107 6.652 -16.128 -7.923 799 HE22 GLN 107 2HE2 GLN 107 7.957 -15.399 -7.058 800 H TYR 108 H TYR 108 3.050 -12.157 -10.898 801 HA TYR 108 HA TYR 108 1.359 -14.524 -10.321 802 HD1 TYR 108 HD2 TYR 108 1.643 -10.971 -8.580 803 HD2 TYR 108 HD1 TYR 108 -0.578 -11.106 -12.184 804 HE1 TYR 108 HE2 TYR 108 2.000 -8.663 -8.811 805 HE2 TYR 108 HE1 TYR 108 -0.247 -8.692 -12.483 806 HH TYR 108 HH TYR 108 1.989 -6.889 -10.549 807 HB2 TYR 108 1HB TYR 108 -0.621 -12.944 -10.611 808 HB3 TYR 108 2HB TYR 108 0.279 -12.864 -9.094 809 H CYS 109 H CYS 109 -0.049 -15.182 -11.996 810 HA CYS 109 HA CYS 109 -0.121 -13.886 -14.500 811 HG CYS 109 HG CYS 109 2.298 -15.054 -17.035 812 HB2 CYS 109 1HB CYS 109 2.201 -14.875 -14.540 813 HB3 CYS 109 2HB CYS 109 1.470 -16.472 -14.350 814 H SER 110 H SER 110 -1.551 -15.106 -15.941 815 HA SER 110 HA SER 110 -3.331 -16.374 -16.465 816 HG SER 110 HG SER 110 -0.873 -18.986 -16.271 817 HB2 SER 110 1HB SER 110 -2.022 -18.340 -14.554 818 HB3 SER 110 2HB SER 110 -3.280 -18.745 -15.729 819 H SER 111 H SER 111 -4.656 -18.310 -14.493 820 HA SER 111 HA SER 111 -6.486 -16.389 -13.404 821 HG SER 111 HG SER 111 -7.332 -17.677 -15.157 822 HB2 SER 111 1HB SER 111 -6.454 -19.394 -13.109 823 HB3 SER 111 2HB SER 111 -7.845 -18.309 -12.925 824 H ASN 112 H ASN 112 -3.773 -16.483 -12.205 825 HA ASN 112 HA ASN 112 -4.010 -17.659 -9.591 826 HB2 ASN 112 1HB ASN 112 -1.804 -17.231 -10.715 827 HB3 ASN 112 2HB ASN 112 -2.116 -15.499 -10.553 828 HD21 ASN 112 1HD2 ASN 112 -1.258 -18.397 -8.937 829 HD22 ASN 112 2HD2 ASN 112 -0.814 -17.666 -7.421 830 H GLN 113 H GLN 113 -4.745 -16.669 -7.763 831 HA GLN 113 HA GLN 113 -6.705 -14.704 -7.910 832 HB2 GLN 113 1HB GLN 113 -6.312 -16.351 -6.038 833 HB3 GLN 113 2HB GLN 113 -5.052 -15.255 -5.460 834 HG2 GLN 113 1HG GLN 113 -6.884 -13.465 -5.465 835 HG3 GLN 113 2HG GLN 113 -8.033 -14.797 -5.569 836 HE21 GLN 113 1HE2 GLN 113 -5.030 -14.634 -3.789 837 HE22 GLN 113 2HE2 GLN 113 -5.753 -14.689 -2.210 838 H LEU 114 H LEU 114 -3.174 -14.326 -7.322 839 HA LEU 114 HA LEU 114 -3.290 -11.693 -6.304 840 HG LEU 114 HG LEU 114 -0.455 -11.054 -7.511 841 HB2 LEU 114 1HB LEU 114 -1.516 -13.328 -5.895 842 HB3 LEU 114 2HB LEU 114 -1.176 -13.374 -7.619 843 HD11 LEU 114 1HD1 LEU 114 -0.936 -11.357 -4.557 844 HD12 LEU 114 2HD1 LEU 114 -1.833 -10.323 -5.675 845 HD13 LEU 114 3HD1 LEU 114 -0.132 -9.987 -5.337 846 HD21 LEU 114 3HD2 LEU 114 0.871 -12.838 -5.499 847 HD22 LEU 114 1HD2 LEU 114 1.609 -11.471 -6.328 848 HD23 LEU 114 2HD2 LEU 114 1.111 -12.896 -7.244 849 H GLY 115 H GLY 115 -2.935 -13.168 -9.407 850 HA2 GLY 115 1HA GLY 115 -2.454 -10.699 -10.773 851 HA3 GLY 115 2HA GLY 115 -2.892 -12.219 -11.553 852 H GLN 116 H GLN 116 -5.401 -12.776 -10.233 853 HA GLN 116 HA GLN 116 -7.256 -11.421 -11.651 854 HB2 GLN 116 1HB GLN 116 -7.496 -12.571 -8.875 855 HB3 GLN 116 2HB GLN 116 -8.832 -12.212 -9.970 856 HG2 GLN 116 1HG GLN 116 -7.987 -13.836 -11.489 857 HG3 GLN 116 2HG GLN 116 -6.669 -14.236 -10.383 858 HE21 GLN 116 1HE2 GLN 116 -8.867 -15.935 -11.343 859 HE22 GLN 116 2HE2 GLN 116 -9.690 -16.508 -9.920 860 H VAL 117 H VAL 117 -5.943 -10.759 -8.498 861 HA VAL 117 HA VAL 117 -7.960 -8.869 -8.127 862 HB VAL 117 HB VAL 117 -5.905 -9.895 -6.243 863 HG11 VAL 117 1HG1 VAL 117 -7.524 -7.392 -5.741 864 HG12 VAL 117 2HG1 VAL 117 -5.786 -7.439 -6.033 865 HG13 VAL 117 3HG1 VAL 117 -6.457 -8.215 -4.575 866 HG21 VAL 117 3HG2 VAL 117 -7.927 -11.005 -6.317 867 HG22 VAL 117 1HG2 VAL 117 -8.832 -9.477 -6.371 868 HG23 VAL 117 2HG2 VAL 117 -8.032 -9.911 -4.894 869 H VAL 118 H VAL 118 -4.405 -8.707 -8.480 870 HA VAL 118 HA VAL 118 -4.193 -5.925 -8.517 871 HB VAL 118 HB VAL 118 -2.659 -8.038 -10.021 872 HG11 VAL 118 1HG1 VAL 118 -1.959 -5.106 -9.610 873 HG12 VAL 118 2HG1 VAL 118 -2.368 -5.861 -11.153 874 HG13 VAL 118 3HG1 VAL 118 -0.877 -6.307 -10.321 875 HG21 VAL 118 3HG2 VAL 118 -2.031 -6.480 -7.548 876 HG22 VAL 118 1HG2 VAL 118 -0.939 -7.636 -8.308 877 HG23 VAL 118 2HG2 VAL 118 -2.475 -8.189 -7.612 878 H ASP 119 H ASP 119 -5.370 -8.112 -10.977 879 HA ASP 119 HA ASP 119 -5.351 -6.186 -13.108 880 HB2 ASP 119 1HB ASP 119 -5.548 -8.721 -13.400 881 HB3 ASP 119 2HB ASP 119 -7.147 -8.585 -12.675 882 H TYR 120 H TYR 120 -7.580 -7.322 -10.734 883 HA TYR 120 HA TYR 120 -9.851 -5.836 -11.516 884 HD1 TYR 120 HD1 TYR 120 -12.255 -5.670 -9.967 885 HD2 TYR 120 HD2 TYR 120 -9.389 -6.563 -6.956 886 HE1 TYR 120 HE1 TYR 120 -13.623 -4.539 -8.295 887 HE2 TYR 120 HE2 TYR 120 -10.701 -5.472 -5.329 888 HH TYR 120 HH TYR 120 -13.929 -4.301 -6.034 889 HB2 TYR 120 1HB TYR 120 -10.443 -7.613 -10.108 890 HB3 TYR 120 2HB TYR 120 -9.043 -7.358 -9.060 891 H VAL 121 H VAL 121 -7.351 -5.224 -9.113 892 HA VAL 121 HA VAL 121 -8.481 -2.709 -8.297 893 HB VAL 121 HB VAL 121 -6.383 -2.413 -7.064 894 HG11 VAL 121 1HG1 VAL 121 -7.399 -5.208 -6.708 895 HG12 VAL 121 2HG1 VAL 121 -8.192 -3.756 -6.127 896 HG13 VAL 121 3HG1 VAL 121 -6.605 -4.198 -5.477 897 HG21 VAL 121 3HG2 VAL 121 -4.877 -3.263 -8.556 898 HG22 VAL 121 1HG2 VAL 121 -5.649 -4.844 -8.444 899 HG23 VAL 121 2HG2 VAL 121 -4.725 -4.203 -7.041 900 H ARG 122 H ARG 122 -6.273 -3.728 -10.723 901 HA ARG 122 HA ARG 122 -5.326 -1.097 -11.182 902 HE ARG 122 HE ARG 122 -3.992 -3.945 -14.732 903 HB2 ARG 122 1HB ARG 122 -4.243 -3.252 -11.981 904 HB3 ARG 122 2HB ARG 122 -5.490 -3.281 -13.237 905 HG2 ARG 122 1HG ARG 122 -4.625 -1.384 -14.295 906 HG3 ARG 122 2HG ARG 122 -3.822 -0.883 -12.807 907 HD2 ARG 122 1HD ARG 122 -2.171 -1.734 -14.414 908 HD3 ARG 122 2HD ARG 122 -2.321 -2.785 -13.000 909 HH11 ARG 122 1HH1 ARG 122 -0.654 -2.822 -15.158 910 HH12 ARG 122 2HH1 ARG 122 -0.208 -4.109 -16.164 911 HH21 ARG 122 1HH2 ARG 122 -3.349 -5.740 -16.071 912 HH22 ARG 122 2HH2 ARG 122 -1.775 -5.829 -16.681 913 H LYS 123 H LYS 123 -8.156 -2.954 -12.312 914 HA LYS 123 HA LYS 123 -8.951 -0.916 -14.034 915 HB2 LYS 123 1HB LYS 123 -10.596 -3.048 -12.682 916 HB3 LYS 123 2HB LYS 123 -11.086 -2.096 -14.085 917 HG2 LYS 123 1HG LYS 123 -8.948 -2.886 -15.099 918 HG3 LYS 123 2HG LYS 123 -8.942 -4.130 -13.854 919 HD2 LYS 123 1HD LYS 123 -11.151 -4.913 -14.563 920 HD3 LYS 123 2HD LYS 123 -11.170 -3.697 -15.844 921 HE2 LYS 123 1HE LYS 123 -9.210 -5.979 -15.578 922 HE3 LYS 123 2HE LYS 123 -10.524 -5.861 -16.745 923 HZ1 LYS 123 3HZ LYS 123 -9.430 -3.932 -17.729 924 HZ2 LYS 123 1HZ LYS 123 -8.396 -5.256 -17.726 925 HZ3 LYS 123 2HZ LYS 123 -8.184 -4.023 -16.605 926 H GLN 124 H GLN 124 -9.061 -1.436 -10.752 927 HA GLN 124 HA GLN 124 -11.284 0.284 -10.133 928 HB2 GLN 124 1HB GLN 124 -9.113 -0.605 -8.240 929 HB3 GLN 124 2HB GLN 124 -10.440 0.445 -7.757 930 HG2 GLN 124 1HG GLN 124 -10.383 -2.475 -8.105 931 HG3 GLN 124 2HG GLN 124 -11.384 -1.381 -7.134 932 HE21 GLN 124 1HE2 GLN 124 -10.973 -2.899 -10.092 933 HE22 GLN 124 2HE2 GLN 124 -12.564 -2.733 -10.686 934 H ALA 125 H ALA 125 -7.789 0.465 -9.876 935 HA ALA 125 HA ALA 125 -7.481 3.086 -8.951 936 HB1 ALA 125 3HB ALA 125 -5.574 1.203 -10.319 937 HB2 ALA 125 1HB ALA 125 -5.996 1.239 -8.605 938 HB3 ALA 125 2HB ALA 125 -5.156 2.622 -9.334 939 H SER 126 H SER 126 -7.266 1.563 -12.067 940 HA SER 126 HA SER 126 -6.460 3.304 -13.861 941 HG SER 126 HG SER 126 -7.176 2.518 -16.095 942 HB2 SER 126 1HB SER 126 -7.634 1.154 -14.365 943 HB3 SER 126 2HB SER 126 -9.171 1.977 -14.153 Start of MODEL 11 1 HA PRO 5 HA PRO 5 8.102 -23.550 -1.125 2 HB2 PRO 5 1HB PRO 5 9.719 -21.408 -1.854 3 HB3 PRO 5 2HB PRO 5 10.276 -22.826 -0.945 4 HG2 PRO 5 1HG PRO 5 10.515 -22.220 -3.859 5 HG3 PRO 5 2HG PRO 5 11.673 -23.039 -2.781 6 HD2 PRO 5 1HD PRO 5 10.163 -24.371 -4.550 7 HD3 PRO 5 2HD PRO 5 10.556 -25.060 -2.958 8 H VAL 6 H VAL 6 8.522 -21.460 -3.883 9 HA VAL 6 HA VAL 6 7.271 -19.816 -4.754 10 HB VAL 6 HB VAL 6 6.018 -22.074 -5.167 11 HG11 VAL 6 1HG1 VAL 6 3.914 -20.765 -3.493 12 HG12 VAL 6 2HG1 VAL 6 4.748 -22.286 -3.178 13 HG13 VAL 6 3HG1 VAL 6 3.665 -22.146 -4.566 14 HG21 VAL 6 3HG2 VAL 6 4.342 -20.993 -6.494 15 HG22 VAL 6 1HG2 VAL 6 5.963 -20.292 -6.630 16 HG23 VAL 6 2HG2 VAL 6 4.715 -19.464 -5.660 17 H CYS 7 H CYS 7 5.099 -18.352 -4.282 18 HA CYS 7 HA CYS 7 5.095 -17.912 -1.434 19 HB2 CYS 7 1HB CYS 7 5.548 -15.946 -2.844 20 HB3 CYS 7 2HB CYS 7 3.989 -16.179 -3.643 21 H ARG 8 H ARG 8 3.527 -19.261 -0.550 22 HA ARG 8 HA ARG 8 1.123 -19.440 -2.090 23 HE ARG 8 HE ARG 8 -1.197 -22.724 -3.083 24 HB2 ARG 8 1HB ARG 8 2.634 -21.458 -1.203 25 HB3 ARG 8 2HB ARG 8 1.671 -21.196 0.257 26 HG2 ARG 8 1HG ARG 8 0.670 -22.905 -1.038 27 HG3 ARG 8 2HG ARG 8 -0.349 -21.453 -1.106 28 HD2 ARG 8 1HD ARG 8 0.574 -20.868 -3.262 29 HD3 ARG 8 2HD ARG 8 1.667 -22.247 -3.201 30 HH11 ARG 8 1HH1 ARG 8 1.803 -22.896 -4.996 31 HH12 ARG 8 2HH1 ARG 8 1.084 -23.866 -6.214 32 HH21 ARG 8 1HH2 ARG 8 -2.084 -24.085 -4.775 33 HH22 ARG 8 2HH2 ARG 8 -1.102 -24.527 -6.105 34 H HIS 9 H HIS 9 1.991 -17.245 -0.440 35 HA HIS 9 HA HIS 9 0.403 -17.268 2.066 36 HD2 HIS 9 HD2 HIS 9 2.210 -17.550 4.051 37 HE1 HIS 9 HE1 HIS 9 6.183 -16.935 2.774 38 HE2 HIS 9 HE2 HIS 9 4.713 -18.063 4.491 39 HB2 HIS 9 1HB HIS 9 2.312 -15.240 0.884 40 HB3 HIS 9 2HB HIS 9 1.461 -15.089 2.424 41 H ILE 10 H ILE 10 -0.298 -16.978 -0.980 42 HA ILE 10 HA ILE 10 -1.010 -14.373 -1.230 43 HB ILE 10 HB ILE 10 -2.082 -16.729 -2.786 44 HG12 ILE 10 1HG1 ILE 10 0.352 -15.022 -2.967 45 HG13 ILE 10 2HG1 ILE 10 0.260 -16.736 -2.662 46 HG21 ILE 10 1HG2 ILE 10 -1.911 -13.819 -3.604 47 HG22 ILE 10 2HG2 ILE 10 -3.388 -14.674 -3.169 48 HG23 ILE 10 3HG2 ILE 10 -2.487 -15.165 -4.601 49 HD11 ILE 10 3HD1 ILE 10 1.050 -16.368 -4.886 50 HD12 ILE 10 1HD1 ILE 10 -0.426 -15.471 -5.295 51 HD13 ILE 10 2HD1 ILE 10 -0.525 -17.188 -4.870 52 H ARG 11 H ARG 11 -2.613 -17.202 -0.463 53 HA ARG 11 HA ARG 11 -5.271 -16.242 -0.278 54 HE ARG 11 HE ARG 11 -4.069 -20.712 1.054 55 HB2 ARG 11 1HB ARG 11 -4.068 -18.549 1.189 56 HB3 ARG 11 2HB ARG 11 -5.801 -18.281 1.040 57 HG2 ARG 11 1HG ARG 11 -5.501 -18.445 -1.462 58 HG3 ARG 11 2HG ARG 11 -3.842 -18.962 -1.145 59 HD2 ARG 11 1HD ARG 11 -6.324 -20.362 -0.141 60 HD3 ARG 11 2HD ARG 11 -5.393 -20.852 -1.548 61 HH11 ARG 11 1HH1 ARG 11 -5.315 -22.716 -1.609 62 HH12 ARG 11 2HH1 ARG 11 -4.600 -24.160 -1.058 63 HH21 ARG 11 1HH2 ARG 11 -3.059 -22.721 1.807 64 HH22 ARG 11 2HH2 ARG 11 -3.275 -24.159 0.921 65 H LYS 12 H LYS 12 -2.642 -16.242 1.960 66 HA LYS 12 HA LYS 12 -4.203 -15.432 4.264 67 HB2 LYS 12 1HB LYS 12 -1.224 -15.677 3.880 68 HB3 LYS 12 2HB LYS 12 -2.022 -15.354 5.408 69 HG2 LYS 12 1HG LYS 12 -3.075 -17.522 5.359 70 HG3 LYS 12 2HG LYS 12 -2.393 -17.836 3.750 71 HD2 LYS 12 1HD LYS 12 -0.139 -17.708 4.685 72 HD3 LYS 12 2HD LYS 12 -0.811 -17.366 6.280 73 HE2 LYS 12 1HE LYS 12 -1.889 -19.528 6.319 74 HE3 LYS 12 2HE LYS 12 -1.322 -19.864 4.682 75 HZ1 LYS 12 3HZ LYS 12 0.420 -19.459 7.053 76 HZ2 LYS 12 1HZ LYS 12 0.931 -19.843 5.494 77 HZ3 LYS 12 2HZ LYS 12 0.025 -20.943 6.380 78 H GLY 13 H GLY 13 -2.355 -14.046 1.749 79 HA2 GLY 13 1HA GLY 13 -1.808 -11.481 3.109 80 HA3 GLY 13 2HA GLY 13 -1.090 -12.141 1.656 81 H LEU 14 H LEU 14 -4.056 -12.820 0.984 82 HA LEU 14 HA LEU 14 -4.718 -10.132 0.070 83 HG LEU 14 HG LEU 14 -4.752 -9.773 -2.397 84 HB2 LEU 14 1HB LEU 14 -3.439 -11.695 -1.513 85 HB3 LEU 14 2HB LEU 14 -4.924 -12.633 -1.557 86 HD11 LEU 14 1HD1 LEU 14 -4.495 -12.278 -4.031 87 HD12 LEU 14 2HD1 LEU 14 -3.195 -11.166 -3.636 88 HD13 LEU 14 3HD1 LEU 14 -4.528 -10.628 -4.674 89 HD21 LEU 14 3HD2 LEU 14 -6.726 -11.970 -2.963 90 HD22 LEU 14 1HD2 LEU 14 -6.641 -10.413 -3.777 91 HD23 LEU 14 2HD2 LEU 14 -7.018 -10.476 -2.043 92 H GLU 15 H GLU 15 -6.829 -9.707 0.560 93 HA GLU 15 HA GLU 15 -8.540 -12.003 1.042 94 HB2 GLU 15 1HB GLU 15 -7.699 -10.738 3.230 95 HB3 GLU 15 2HB GLU 15 -8.855 -9.527 2.705 96 HG2 GLU 15 1HG GLU 15 -9.505 -12.364 3.224 97 HG3 GLU 15 2HG GLU 15 -9.580 -11.089 4.429 98 H GLN 16 H GLN 16 -9.655 -11.740 -0.852 99 HA GLN 16 HA GLN 16 -9.954 -9.450 -2.223 100 HB2 GLN 16 1HB GLN 16 -11.785 -11.826 -2.442 101 HB3 GLN 16 2HB GLN 16 -11.605 -10.504 -3.603 102 HG2 GLN 16 1HG GLN 16 -9.283 -11.081 -3.953 103 HG3 GLN 16 2HG GLN 16 -9.425 -12.399 -2.788 104 HE21 GLN 16 1HE2 GLN 16 -10.300 -11.255 -5.935 105 HE22 GLN 16 2HE2 GLN 16 -10.809 -12.791 -6.557 106 H GLY 17 H GLY 17 -12.106 -10.781 0.218 107 HA2 GLY 17 1HA GLY 17 -14.509 -9.473 -0.397 108 HA3 GLY 17 2HA GLY 17 -14.055 -10.110 1.192 109 H ASN 18 H ASN 18 -11.989 -8.508 1.916 110 HA ASN 18 HA ASN 18 -13.469 -6.085 2.378 111 HB2 ASN 18 1HB ASN 18 -11.996 -5.610 4.234 112 HB3 ASN 18 2HB ASN 18 -11.997 -7.368 4.101 113 HD21 ASN 18 1HD2 ASN 18 -10.224 -7.816 2.127 114 HD22 ASN 18 2HD2 ASN 18 -8.708 -7.288 2.750 115 H LEU 19 H LEU 19 -11.138 -7.046 0.143 116 HA LEU 19 HA LEU 19 -9.703 -4.682 -0.400 117 HG LEU 19 HG LEU 19 -8.280 -7.603 -2.197 118 HB2 LEU 19 1HB LEU 19 -10.438 -7.082 -2.006 119 HB3 LEU 19 2HB LEU 19 -9.858 -5.649 -2.848 120 HD11 LEU 19 1HD1 LEU 19 -6.411 -5.998 -1.988 121 HD12 LEU 19 2HD1 LEU 19 -7.602 -4.683 -1.865 122 HD13 LEU 19 3HD1 LEU 19 -7.501 -5.675 -3.343 123 HD21 LEU 19 3HD2 LEU 19 -7.045 -7.177 -0.145 124 HD22 LEU 19 1HD2 LEU 19 -8.736 -7.562 0.168 125 HD23 LEU 19 2HD2 LEU 19 -8.182 -5.887 0.256 126 H LYS 20 H LYS 20 -12.753 -5.853 -1.843 127 HA LYS 20 HA LYS 20 -13.160 -3.659 -3.586 128 HB2 LYS 20 1HB LYS 20 -15.079 -5.545 -2.209 129 HB3 LYS 20 2HB LYS 20 -15.625 -4.254 -3.254 130 HG2 LYS 20 1HG LYS 20 -15.654 -6.321 -4.442 131 HG3 LYS 20 2HG LYS 20 -14.389 -5.292 -5.121 132 HD2 LYS 20 1HD LYS 20 -12.713 -6.579 -3.949 133 HD3 LYS 20 2HD LYS 20 -13.973 -7.559 -3.181 134 HE2 LYS 20 1HE LYS 20 -13.447 -7.374 -6.150 135 HE3 LYS 20 2HE LYS 20 -12.936 -8.694 -5.082 136 HZ1 LYS 20 3HZ LYS 20 -15.755 -7.920 -5.676 137 HZ2 LYS 20 1HZ LYS 20 -15.271 -9.165 -4.637 138 HZ3 LYS 20 2HZ LYS 20 -14.951 -9.261 -6.287 139 H LYS 21 H LYS 21 -13.696 -4.014 -0.168 140 HA LYS 21 HA LYS 21 -15.608 -1.861 -0.002 141 HB2 LYS 21 1HB LYS 21 -14.066 -3.138 2.235 142 HB3 LYS 21 2HB LYS 21 -15.628 -2.342 2.320 143 HG2 LYS 21 1HG LYS 21 -15.103 -4.901 0.858 144 HG3 LYS 21 2HG LYS 21 -15.685 -4.836 2.516 145 HD2 LYS 21 1HD LYS 21 -17.631 -3.458 1.555 146 HD3 LYS 21 2HD LYS 21 -17.025 -3.946 -0.032 147 HE2 LYS 21 1HE LYS 21 -17.957 -5.792 2.178 148 HE3 LYS 21 2HE LYS 21 -18.834 -5.419 0.705 149 HZ1 LYS 21 3HZ LYS 21 -17.687 -7.547 0.651 150 HZ2 LYS 21 1HZ LYS 21 -16.190 -6.806 0.786 151 HZ3 LYS 21 2HZ LYS 21 -17.164 -6.554 -0.583 152 H ALA 22 H ALA 22 -12.167 -2.347 0.452 153 HA ALA 22 HA ALA 22 -11.766 0.180 1.754 154 HB1 ALA 22 3HB ALA 22 -9.841 -1.790 0.570 155 HB2 ALA 22 1HB ALA 22 -10.381 -1.758 2.245 156 HB3 ALA 22 2HB ALA 22 -9.421 -0.421 1.600 157 H LEU 23 H LEU 23 -11.448 -1.142 -1.493 158 HA LEU 23 HA LEU 23 -10.049 1.196 -2.471 159 HG LEU 23 HG LEU 23 -10.280 -2.297 -2.871 160 HB2 LEU 23 1HB LEU 23 -11.417 -0.777 -4.226 161 HB3 LEU 23 2HB LEU 23 -9.958 0.152 -4.541 162 HD11 LEU 23 1HD1 LEU 23 -10.110 -2.755 -5.172 163 HD12 LEU 23 2HD1 LEU 23 -8.654 -3.284 -4.332 164 HD13 LEU 23 3HD1 LEU 23 -8.625 -1.808 -5.299 165 HD21 LEU 23 3HD2 LEU 23 -7.964 -2.264 -2.235 166 HD22 LEU 23 1HD2 LEU 23 -8.742 -0.810 -1.660 167 HD23 LEU 23 2HD2 LEU 23 -7.680 -0.741 -3.089 168 H VAL 24 H VAL 24 -13.125 0.573 -1.731 169 HA VAL 24 HA VAL 24 -14.593 2.091 -3.625 170 HB VAL 24 HB VAL 24 -15.146 1.648 -0.671 171 HG11 VAL 24 1HG1 VAL 24 -16.940 3.008 -2.692 172 HG12 VAL 24 2HG1 VAL 24 -16.170 3.752 -1.281 173 HG13 VAL 24 3HG1 VAL 24 -17.411 2.524 -1.056 174 HG21 VAL 24 3HG2 VAL 24 -15.343 -0.302 -2.113 175 HG22 VAL 24 1HG2 VAL 24 -16.478 0.570 -3.146 176 HG23 VAL 24 2HG2 VAL 24 -16.904 0.198 -1.469 177 H ASN 25 H ASN 25 -13.178 3.135 -0.541 178 HA ASN 25 HA ASN 25 -13.692 5.930 -1.331 179 HB2 ASN 25 1HB ASN 25 -13.369 4.650 1.380 180 HB3 ASN 25 2HB ASN 25 -13.416 6.401 1.123 181 HD21 ASN 25 1HD2 ASN 25 -15.206 4.476 2.522 182 HD22 ASN 25 2HD2 ASN 25 -16.780 4.836 1.878 183 H VAL 26 H VAL 26 -11.356 3.992 -1.837 184 HA VAL 26 HA VAL 26 -9.196 5.096 -0.417 185 HB VAL 26 HB VAL 26 -9.745 2.867 -1.547 186 HG11 VAL 26 1HG1 VAL 26 -8.541 2.324 -3.471 187 HG12 VAL 26 2HG1 VAL 26 -8.269 4.046 -3.763 188 HG13 VAL 26 3HG1 VAL 26 -9.925 3.382 -3.719 189 HG21 VAL 26 3HG2 VAL 26 -7.004 3.918 -1.259 190 HG22 VAL 26 1HG2 VAL 26 -7.453 2.211 -1.558 191 HG23 VAL 26 2HG2 VAL 26 -8.074 3.030 -0.119 192 H GLU 27 H GLU 27 -7.618 6.316 -1.234 193 HA GLU 27 HA GLU 27 -8.235 8.069 -3.503 194 HB2 GLU 27 1HB GLU 27 -7.661 8.849 -1.144 195 HB3 GLU 27 2HB GLU 27 -6.016 8.343 -1.528 196 HG2 GLU 27 1HG GLU 27 -6.227 10.616 -1.885 197 HG3 GLU 27 2HG GLU 27 -6.117 9.770 -3.450 198 H TRP 28 H TRP 28 -7.278 7.331 -5.255 199 HA TRP 28 HA TRP 28 -5.320 5.305 -4.996 200 HD1 TRP 28 HD1 TRP 28 -8.858 4.955 -7.117 201 HE1 TRP 28 HE1 TRP 28 -9.409 2.527 -6.459 202 HE3 TRP 28 HE3 TRP 28 -4.214 3.457 -5.819 203 HZ2 TRP 28 HZ2 TRP 28 -7.998 0.285 -5.584 204 HZ3 TRP 28 HZ3 TRP 28 -3.887 1.152 -5.051 205 HH2 TRP 28 HH2 TRP 28 -5.739 -0.389 -4.923 206 HB2 TRP 28 1HB TRP 28 -6.834 6.404 -7.167 207 HB3 TRP 28 2HB TRP 28 -5.422 5.462 -7.645 208 H ASN 29 H ASN 29 -3.406 5.091 -5.165 209 HA ASN 29 HA ASN 29 -1.256 5.467 -5.225 210 HB2 ASN 29 1HB ASN 29 -1.878 6.017 -7.530 211 HB3 ASN 29 2HB ASN 29 -1.758 7.733 -7.169 212 HD21 ASN 29 1HD2 ASN 29 -0.046 4.844 -7.675 213 HD22 ASN 29 2HD2 ASN 29 1.534 5.583 -7.617 214 H ILE 30 H ILE 30 -3.096 6.819 -3.525 215 HA ILE 30 HA ILE 30 -1.147 8.708 -2.443 216 HB ILE 30 HB ILE 30 -4.158 9.041 -2.207 217 HG12 ILE 30 1HG1 ILE 30 -2.128 10.466 -3.954 218 HG13 ILE 30 2HG1 ILE 30 -3.701 9.721 -4.315 219 HG21 ILE 30 1HG2 ILE 30 -3.058 9.748 -0.170 220 HG22 ILE 30 2HG2 ILE 30 -3.674 11.151 -1.022 221 HG23 ILE 30 3HG2 ILE 30 -1.950 10.776 -1.080 222 HD11 ILE 30 3HD1 ILE 30 -3.741 12.166 -4.496 223 HD12 ILE 30 1HD1 ILE 30 -3.370 12.275 -2.777 224 HD13 ILE 30 2HD1 ILE 30 -4.879 11.536 -3.306 225 H CYS 31 H CYS 31 -0.288 7.473 -0.990 226 HA CYS 31 HA CYS 31 -1.377 5.517 0.546 227 HB2 CYS 31 1HB CYS 31 0.917 5.756 0.806 228 HB3 CYS 31 2HB CYS 31 0.893 7.454 1.205 229 H GLN 32 H GLN 32 -3.216 5.567 1.390 230 HA GLN 32 HA GLN 32 -4.624 7.773 2.370 231 HB2 GLN 32 1HB GLN 32 -6.165 6.155 3.363 232 HB3 GLN 32 2HB GLN 32 -5.801 5.650 1.719 233 HG2 GLN 32 1HG GLN 32 -4.254 4.015 2.575 234 HG3 GLN 32 2HG GLN 32 -4.647 4.518 4.231 235 HE21 GLN 32 1HE2 GLN 32 -5.850 3.029 1.329 236 HE22 GLN 32 2HE2 GLN 32 -7.257 2.370 2.087 237 H ASP 33 H ASP 33 -2.279 5.738 3.784 238 HA ASP 33 HA ASP 33 -2.951 6.329 6.493 239 HB2 ASP 33 1HB ASP 33 -1.603 4.307 5.419 240 HB3 ASP 33 2HB ASP 33 -0.225 5.375 5.719 241 H CYS 34 H CYS 34 -1.238 8.119 3.938 242 HA CYS 34 HA CYS 34 0.333 9.704 5.651 243 HB2 CYS 34 1HB CYS 34 -0.409 9.462 2.821 244 HB3 CYS 34 2HB CYS 34 0.049 11.054 3.375 245 H LYS 35 H LYS 35 -2.685 9.766 4.015 246 HA LYS 35 HA LYS 35 -3.160 12.555 4.549 247 HB2 LYS 35 1HB LYS 35 -5.285 12.230 3.432 248 HB3 LYS 35 2HB LYS 35 -3.930 11.628 2.457 249 HG2 LYS 35 1HG LYS 35 -4.619 9.368 3.434 250 HG3 LYS 35 2HG LYS 35 -6.111 10.198 3.904 251 HD2 LYS 35 1HD LYS 35 -5.006 10.018 1.121 252 HD3 LYS 35 2HD LYS 35 -6.335 9.046 1.762 253 HE2 LYS 35 1HE LYS 35 -6.364 12.067 1.558 254 HE3 LYS 35 2HE LYS 35 -7.049 11.000 0.342 255 HZ1 LYS 35 3HZ LYS 35 -7.953 11.177 3.180 256 HZ2 LYS 35 1HZ LYS 35 -8.601 10.160 1.997 257 HZ3 LYS 35 2HZ LYS 35 -8.737 11.816 1.832 258 H THR 36 H THR 36 -4.155 9.547 5.940 259 HA THR 36 HA THR 36 -5.974 10.993 7.600 260 HB THR 36 HB THR 36 -6.604 8.729 8.532 261 HG1 THR 36 HG1 THR 36 -5.228 7.676 6.297 262 HG21 THR 36 3HG2 THR 36 -7.903 8.071 6.585 263 HG22 THR 36 1HG2 THR 36 -6.871 9.083 5.558 264 HG23 THR 36 2HG2 THR 36 -7.885 9.828 6.797 265 H ASP 37 H ASP 37 -2.917 10.743 7.524 266 HA ASP 37 HA ASP 37 -2.279 9.617 10.089 267 HB2 ASP 37 1HB ASP 37 -0.591 9.888 8.134 268 HB3 ASP 37 2HB ASP 37 -0.502 11.572 8.661 269 H ASN 38 H ASN 38 -3.467 10.548 11.372 270 HA ASN 38 HA ASN 38 -3.784 13.361 11.795 271 HB2 ASN 38 1HB ASN 38 -4.289 11.138 13.749 272 HB3 ASN 38 2HB ASN 38 -4.703 12.846 13.973 273 HD21 ASN 38 1HD2 ASN 38 -6.426 10.495 13.861 274 HD22 ASN 38 2HD2 ASN 38 -7.543 10.762 12.556 275 H LYS 39 H LYS 39 -1.054 11.562 12.455 276 HA LYS 39 HA LYS 39 -0.358 13.035 14.887 277 HB2 LYS 39 1HB LYS 39 1.333 11.032 13.366 278 HB3 LYS 39 2HB LYS 39 1.603 11.604 15.012 279 HG2 LYS 39 1HG LYS 39 0.594 9.687 15.605 280 HG3 LYS 39 2HG LYS 39 -0.855 10.640 15.199 281 HD2 LYS 39 1HD LYS 39 -1.102 8.543 14.092 282 HD3 LYS 39 2HD LYS 39 -0.698 9.797 12.906 283 HE2 LYS 39 1HE LYS 39 1.680 9.058 13.005 284 HE3 LYS 39 2HE LYS 39 1.182 7.748 14.067 285 HZ1 LYS 39 3HZ LYS 39 1.366 6.953 11.839 286 HZ2 LYS 39 1HZ LYS 39 0.395 8.178 11.248 287 HZ3 LYS 39 2HZ LYS 39 -0.280 6.954 12.207 288 H VAL 40 H VAL 40 0.390 12.620 11.661 289 HA VAL 40 HA VAL 40 2.451 14.679 11.550 290 HB VAL 40 HB VAL 40 1.058 13.199 9.264 291 HG11 VAL 40 1HG1 VAL 40 1.935 15.359 8.476 292 HG12 VAL 40 2HG1 VAL 40 2.842 14.007 7.800 293 HG13 VAL 40 3HG1 VAL 40 3.520 14.946 9.130 294 HG21 VAL 40 3HG2 VAL 40 3.171 11.962 9.069 295 HG22 VAL 40 1HG2 VAL 40 2.409 11.733 10.644 296 HG23 VAL 40 2HG2 VAL 40 3.787 12.821 10.484 297 H LYS 41 H LYS 41 2.203 16.714 10.463 298 HA LYS 41 HA LYS 41 -0.536 17.713 10.779 299 HB2 LYS 41 1HB LYS 41 2.079 19.179 10.654 300 HB3 LYS 41 2HB LYS 41 0.507 19.957 10.907 301 HG2 LYS 41 1HG LYS 41 2.005 18.053 12.700 302 HG3 LYS 41 2HG LYS 41 1.756 19.775 12.963 303 HD2 LYS 41 1HD LYS 41 -0.490 17.880 12.667 304 HD3 LYS 41 2HD LYS 41 0.292 18.075 14.236 305 HE2 LYS 41 1HE LYS 41 -1.709 19.457 14.155 306 HE3 LYS 41 2HE LYS 41 -0.301 20.503 14.151 307 HZ1 LYS 41 3HZ LYS 41 -2.105 21.141 12.616 308 HZ2 LYS 41 1HZ LYS 41 -1.835 19.774 11.699 309 HZ3 LYS 41 2HZ LYS 41 -0.651 20.982 11.842 310 H ASP 42 H ASP 42 2.085 17.592 8.522 311 HA ASP 42 HA ASP 42 0.981 19.184 6.470 312 HB2 ASP 42 1HB ASP 42 3.322 18.544 6.457 313 HB3 ASP 42 2HB ASP 42 2.868 16.849 6.292 314 H LYS 43 H LYS 43 1.356 15.685 6.323 315 HA LYS 43 HA LYS 43 -0.060 13.928 5.802 316 HB2 LYS 43 1HB LYS 43 -2.220 16.007 5.991 317 HB3 LYS 43 2HB LYS 43 -2.443 14.252 5.935 318 HG2 LYS 43 1HG LYS 43 -1.740 13.969 8.082 319 HG3 LYS 43 2HG LYS 43 -0.745 15.426 8.065 320 HD2 LYS 43 1HD LYS 43 -2.681 15.795 9.490 321 HD3 LYS 43 2HD LYS 43 -2.805 16.807 8.053 322 HE2 LYS 43 1HE LYS 43 -4.954 15.914 8.398 323 HE3 LYS 43 2HE LYS 43 -4.265 14.975 7.077 324 HZ1 LYS 43 3HZ LYS 43 -3.556 13.397 9.005 325 HZ2 LYS 43 1HZ LYS 43 -5.175 13.402 8.444 326 HZ3 LYS 43 2HZ LYS 43 -4.781 14.222 9.839 327 H ALA 44 H ALA 44 0.828 16.116 3.654 328 HA ALA 44 HA ALA 44 -0.899 14.980 1.583 329 HB1 ALA 44 3HB ALA 44 -1.489 17.086 0.628 330 HB2 ALA 44 1HB ALA 44 -0.534 17.942 1.840 331 HB3 ALA 44 2HB ALA 44 -1.970 17.045 2.324 332 H GLU 45 H GLU 45 1.883 17.053 2.201 333 HA GLU 45 HA GLU 45 3.595 17.727 1.000 334 HB2 GLU 45 1HB GLU 45 3.294 15.028 -0.340 335 HB3 GLU 45 2HB GLU 45 4.658 16.117 -0.617 336 HG2 GLU 45 1HG GLU 45 5.248 15.945 1.755 337 HG3 GLU 45 2HG GLU 45 3.889 14.851 2.002 338 H GLU 46 H GLU 46 2.751 19.485 0.005 339 HA GLU 46 HA GLU 46 1.260 19.169 -2.452 340 HB2 GLU 46 1HB GLU 46 1.039 21.609 -2.458 341 HB3 GLU 46 2HB GLU 46 0.613 20.946 -0.877 342 HG2 GLU 46 1HG GLU 46 2.725 21.665 0.027 343 HG3 GLU 46 2HG GLU 46 3.258 22.213 -1.562 344 H GLU 47 H GLU 47 4.466 19.682 -1.485 345 HA GLU 47 HA GLU 47 5.496 20.877 -3.831 346 HB2 GLU 47 1HB GLU 47 7.716 20.093 -2.982 347 HB3 GLU 47 2HB GLU 47 6.756 21.020 -1.816 348 HG2 GLU 47 1HG GLU 47 6.082 19.033 -0.718 349 HG3 GLU 47 2HG GLU 47 6.893 18.062 -1.956 350 H THR 48 H THR 48 5.133 17.485 -2.843 351 HA THR 48 HA THR 48 5.602 15.610 -3.678 352 HB THR 48 HB THR 48 4.662 15.252 -5.880 353 HG1 THR 48 HG1 THR 48 4.847 17.848 -6.123 354 HG21 THR 48 3HG2 THR 48 3.315 14.891 -3.934 355 HG22 THR 48 1HG2 THR 48 2.299 15.635 -5.166 356 HG23 THR 48 2HG2 THR 48 2.927 16.607 -3.834 357 H GLU 49 H GLU 49 7.960 17.078 -3.731 358 HA GLU 49 HA GLU 49 9.059 16.493 -6.332 359 HB2 GLU 49 1HB GLU 49 10.341 17.917 -4.019 360 HB3 GLU 49 2HB GLU 49 11.138 17.616 -5.571 361 HG2 GLU 49 1HG GLU 49 9.249 18.836 -6.645 362 HG3 GLU 49 2HG GLU 49 8.724 19.285 -5.027 363 H GLU 50 H GLU 50 8.742 15.127 -3.585 364 HA GLU 50 HA GLU 50 10.776 13.121 -4.200 365 HB2 GLU 50 1HB GLU 50 9.253 13.537 -1.610 366 HB3 GLU 50 2HB GLU 50 10.438 12.270 -1.895 367 HG2 GLU 50 1HG GLU 50 12.145 14.038 -2.260 368 HG3 GLU 50 2HG GLU 50 10.937 15.230 -1.800 369 H LYS 51 H LYS 51 9.977 11.019 -4.576 370 HA LYS 51 HA LYS 51 7.102 11.004 -4.890 371 HB2 LYS 51 1HB LYS 51 9.021 9.614 -6.778 372 HB3 LYS 51 2HB LYS 51 7.277 9.806 -6.938 373 HG2 LYS 51 1HG LYS 51 7.978 11.370 -8.413 374 HG3 LYS 51 2HG LYS 51 7.836 12.291 -6.911 375 HD2 LYS 51 1HD LYS 51 10.191 12.149 -6.507 376 HD3 LYS 51 2HD LYS 51 10.413 11.126 -7.931 377 HE2 LYS 51 1HE LYS 51 9.264 13.861 -7.958 378 HE3 LYS 51 2HE LYS 51 10.978 13.533 -8.288 379 HZ1 LYS 51 3HZ LYS 51 10.259 12.204 -10.205 380 HZ2 LYS 51 1HZ LYS 51 9.666 13.775 -10.316 381 HZ3 LYS 51 2HZ LYS 51 8.643 12.526 -9.861 382 HA PRO 52 HA PRO 52 8.153 7.475 -2.351 383 HB2 PRO 52 1HB PRO 52 5.943 7.489 -0.829 384 HB3 PRO 52 2HB PRO 52 7.248 8.691 -0.653 385 HG2 PRO 52 1HG PRO 52 4.687 8.997 -2.173 386 HG3 PRO 52 2HG PRO 52 5.343 10.037 -0.887 387 HD2 PRO 52 1HD PRO 52 5.763 10.592 -3.486 388 HD3 PRO 52 2HD PRO 52 6.984 10.887 -2.218 389 H SER 53 H SER 53 7.616 5.351 -2.841 390 HA SER 53 HA SER 53 5.876 4.926 -5.002 391 HG SER 53 HG SER 53 8.690 3.107 -3.112 392 HB2 SER 53 1HB SER 53 6.455 2.500 -4.331 393 HB3 SER 53 2HB SER 53 7.774 3.539 -4.906 394 H VAL 54 H VAL 54 4.007 3.614 -4.869 395 HA VAL 54 HA VAL 54 2.771 3.741 -2.185 396 HB VAL 54 HB VAL 54 1.155 4.217 -4.734 397 HG11 VAL 54 1HG1 VAL 54 0.004 3.185 -2.819 398 HG12 VAL 54 2HG1 VAL 54 -0.609 4.783 -3.237 399 HG13 VAL 54 3HG1 VAL 54 0.453 4.579 -1.838 400 HG21 VAL 54 3HG2 VAL 54 1.013 6.524 -4.060 401 HG22 VAL 54 1HG2 VAL 54 2.703 6.080 -4.289 402 HG23 VAL 54 2HG2 VAL 54 2.036 6.219 -2.655 403 H TRP 55 H TRP 55 2.553 2.087 -1.456 404 HA TRP 55 HA TRP 55 2.128 -0.332 -3.064 405 HD1 TRP 55 HD1 TRP 55 5.149 1.620 -1.183 406 HE1 TRP 55 HE1 TRP 55 7.305 1.219 -2.486 407 HE3 TRP 55 HE3 TRP 55 4.167 -3.070 -2.943 408 HZ2 TRP 55 HZ2 TRP 55 8.480 -0.834 -4.036 409 HZ3 TRP 55 HZ3 TRP 55 5.871 -4.190 -4.325 410 HH2 TRP 55 HH2 TRP 55 7.979 -3.092 -4.861 411 HB2 TRP 55 1HB TRP 55 3.276 -0.100 -0.270 412 HB3 TRP 55 2HB TRP 55 3.075 -1.603 -1.180 413 H LEU 56 H LEU 56 0.363 -1.257 -2.925 414 HA LEU 56 HA LEU 56 -1.480 -0.488 -0.812 415 HG LEU 56 HG LEU 56 -3.705 -1.787 -1.202 416 HB2 LEU 56 1HB LEU 56 -2.355 0.013 -2.954 417 HB3 LEU 56 2HB LEU 56 -2.165 -1.638 -3.532 418 HD11 LEU 56 1HD1 LEU 56 -4.103 0.561 -1.275 419 HD12 LEU 56 2HD1 LEU 56 -5.583 -0.327 -1.637 420 HD13 LEU 56 3HD1 LEU 56 -4.680 0.448 -2.938 421 HD21 LEU 56 3HD2 LEU 56 -5.463 -2.515 -2.724 422 HD22 LEU 56 1HD2 LEU 56 -3.884 -3.229 -3.073 423 HD23 LEU 56 2HD2 LEU 56 -4.489 -1.906 -4.084 424 H CYS 57 H CYS 57 -1.879 -1.898 0.694 425 HA CYS 57 HA CYS 57 -0.952 -4.569 0.959 426 HB2 CYS 57 1HB CYS 57 -1.620 -2.927 2.772 427 HB3 CYS 57 2HB CYS 57 -3.288 -3.241 2.327 428 H LEU 58 H LEU 58 -1.598 -6.211 -0.387 429 HA LEU 58 HA LEU 58 -4.081 -6.277 -1.770 430 HG LEU 58 HG LEU 58 -1.794 -6.066 -2.967 431 HB2 LEU 58 1HB LEU 58 -1.770 -8.098 -1.222 432 HB3 LEU 58 2HB LEU 58 -3.145 -8.608 -2.186 433 HD11 LEU 58 1HD1 LEU 58 0.011 -7.709 -2.586 434 HD12 LEU 58 2HD1 LEU 58 -0.214 -7.197 -4.255 435 HD13 LEU 58 3HD1 LEU 58 -0.792 -8.803 -3.740 436 HD21 LEU 58 3HD2 LEU 58 -3.059 -8.365 -4.373 437 HD22 LEU 58 1HD2 LEU 58 -2.425 -6.924 -5.163 438 HD23 LEU 58 2HD2 LEU 58 -3.809 -6.792 -4.062 439 H LYS 59 H LYS 59 -3.231 -6.844 1.217 440 HA LYS 59 HA LYS 59 -5.164 -8.899 1.757 441 HB2 LYS 59 1HB LYS 59 -3.148 -9.009 2.982 442 HB3 LYS 59 2HB LYS 59 -3.354 -7.397 3.665 443 HG2 LYS 59 1HG LYS 59 -3.998 -8.896 5.354 444 HG3 LYS 59 2HG LYS 59 -5.431 -8.187 4.541 445 HD2 LYS 59 1HD LYS 59 -5.925 -10.148 3.390 446 HD3 LYS 59 2HD LYS 59 -4.337 -10.860 3.651 447 HE2 LYS 59 1HE LYS 59 -5.843 -12.054 5.009 448 HE3 LYS 59 2HE LYS 59 -4.887 -10.995 6.059 449 HZ1 LYS 59 3HZ LYS 59 -7.190 -10.905 6.758 450 HZ2 LYS 59 1HZ LYS 59 -7.712 -10.625 5.184 451 HZ3 LYS 59 2HZ LYS 59 -6.865 -9.445 6.015 452 H CYS 60 H CYS 60 -4.875 -5.487 2.507 453 HA CYS 60 HA CYS 60 -7.787 -5.525 3.190 454 HB2 CYS 60 1HB CYS 60 -7.530 -4.143 5.082 455 HB3 CYS 60 2HB CYS 60 -6.328 -5.445 5.187 456 H GLY 61 H GLY 61 -5.627 -4.046 1.187 457 HA2 GLY 61 1HA GLY 61 -6.151 -2.416 -0.320 458 HA3 GLY 61 2HA GLY 61 -7.655 -2.090 0.559 459 H HIS 62 H HIS 62 -4.917 -2.184 2.549 460 HA HIS 62 HA HIS 62 -4.850 0.651 3.126 461 HD1 HIS 62 HD1 HIS 62 -2.683 1.534 5.778 462 HD2 HIS 62 HD2 HIS 62 -0.609 -0.871 3.081 463 HE1 HIS 62 HE1 HIS 62 -0.286 2.371 5.694 464 HB2 HIS 62 1HB HIS 62 -4.024 -0.615 4.948 465 HB3 HIS 62 2HB HIS 62 -3.157 -1.736 3.895 466 H GLN 63 H GLN 63 -3.915 2.108 2.253 467 HA GLN 63 HA GLN 63 -2.077 1.354 0.195 468 HB2 GLN 63 1HB GLN 63 -4.190 2.444 -0.439 469 HB3 GLN 63 2HB GLN 63 -3.595 3.874 0.409 470 HG2 GLN 63 1HG GLN 63 -1.872 4.204 -1.136 471 HG3 GLN 63 2HG GLN 63 -2.176 2.599 -1.837 472 HE21 GLN 63 1HE2 GLN 63 -4.865 4.474 -0.968 473 HE22 GLN 63 2HE2 GLN 63 -5.228 4.952 -2.593 474 H GLY 64 H GLY 64 -0.160 1.811 0.760 475 HA2 GLY 64 1HA GLY 64 0.499 4.049 2.494 476 HA3 GLY 64 2HA GLY 64 1.180 2.438 2.724 477 H CYS 65 H CYS 65 2.776 4.445 2.543 478 HA CYS 65 HA CYS 65 3.746 4.646 -0.172 479 HB2 CYS 65 1HB CYS 65 5.054 6.536 0.829 480 HB3 CYS 65 2HB CYS 65 3.300 6.708 0.904 481 H GLY 66 H GLY 66 5.800 3.980 -0.664 482 HA2 GLY 66 1HA GLY 66 6.947 1.965 1.091 483 HA3 GLY 66 2HA GLY 66 7.353 2.249 -0.604 484 H ARG 67 H ARG 67 9.523 2.220 -0.339 485 HA ARG 67 HA ARG 67 10.925 3.265 1.808 486 HE ARG 67 HE ARG 67 15.662 3.133 1.640 487 HB2 ARG 67 1HB ARG 67 11.878 1.549 0.427 488 HB3 ARG 67 2HB ARG 67 11.925 2.636 -0.949 489 HG2 ARG 67 1HG ARG 67 14.129 2.350 0.022 490 HG3 ARG 67 2HG ARG 67 13.552 4.016 0.188 491 HD2 ARG 67 1HD ARG 67 12.990 3.629 2.515 492 HD3 ARG 67 2HD ARG 67 13.425 1.926 2.372 493 HH11 ARG 67 1HH1 ARG 67 13.622 3.774 4.521 494 HH12 ARG 67 2HH1 ARG 67 14.938 4.199 5.493 495 HH21 ARG 67 1HH2 ARG 67 17.427 3.725 3.024 496 HH22 ARG 67 2HH2 ARG 67 17.145 4.166 4.641 497 H ASN 68 H ASN 68 10.295 4.952 -1.217 498 HA ASN 68 HA ASN 68 12.054 7.100 -0.547 499 HB2 ASN 68 1HB ASN 68 9.872 6.846 -2.514 500 HB3 ASN 68 2HB ASN 68 10.727 8.393 -2.325 501 HD21 ASN 68 1HD2 ASN 68 10.534 6.907 -4.640 502 HD22 ASN 68 2HD2 ASN 68 12.111 6.304 -5.051 503 H SER 69 H SER 69 9.560 6.411 1.275 504 HA SER 69 HA SER 69 8.637 9.169 1.367 505 HG SER 69 HG SER 69 7.758 5.748 2.225 506 HB2 SER 69 1HB SER 69 6.857 8.348 2.855 507 HB3 SER 69 2HB SER 69 6.842 7.540 1.276 508 H GLN 70 H GLN 70 8.248 9.908 3.709 509 HA GLN 70 HA GLN 70 10.737 9.678 5.138 510 HB2 GLN 70 1HB GLN 70 9.609 11.811 4.835 511 HB3 GLN 70 2HB GLN 70 8.192 11.200 5.699 512 HG2 GLN 70 1HG GLN 70 9.599 10.990 7.716 513 HG3 GLN 70 2HG GLN 70 10.942 11.700 6.819 514 HE21 GLN 70 1HE2 GLN 70 7.881 12.279 8.295 515 HE22 GLN 70 2HE2 GLN 70 7.957 14.016 8.225 516 H GLU 71 H GLU 71 7.376 8.818 5.481 517 HA GLU 71 HA GLU 71 7.760 7.820 8.168 518 HB2 GLU 71 1HB GLU 71 5.199 7.186 6.924 519 HB3 GLU 71 2HB GLU 71 5.538 8.005 8.444 520 HG2 GLU 71 1HG GLU 71 4.288 9.498 7.117 521 HG3 GLU 71 2HG GLU 71 5.942 10.106 7.026 522 H GLN 72 H GLN 72 7.372 6.536 4.926 523 HA GLN 72 HA GLN 72 7.136 4.495 4.067 524 HB2 GLN 72 1HB GLN 72 8.908 3.829 6.414 525 HB3 GLN 72 2HB GLN 72 8.484 2.635 5.187 526 HG2 GLN 72 1HG GLN 72 9.456 4.292 3.501 527 HG3 GLN 72 2HG GLN 72 10.157 5.094 4.908 528 HE21 GLN 72 1HE2 GLN 72 10.140 2.282 3.024 529 HE22 GLN 72 2HE2 GLN 72 11.671 1.790 3.681 530 H HIS 73 H HIS 73 4.796 5.047 5.017 531 HA HIS 73 HA HIS 73 3.853 3.802 7.224 532 HD2 HIS 73 HD2 HIS 73 2.555 5.456 8.676 533 HE1 HIS 73 HE1 HIS 73 1.948 9.039 6.459 534 HE2 HIS 73 HE2 HIS 73 2.070 8.030 8.862 535 HB2 HIS 73 1HB HIS 73 2.685 4.897 4.748 536 HB3 HIS 73 2HB HIS 73 1.689 4.057 5.926 537 H ALA 74 H ALA 74 4.249 2.484 3.943 538 HA ALA 74 HA ALA 74 2.542 0.177 4.358 539 HB1 ALA 74 3HB ALA 74 4.883 0.550 2.473 540 HB2 ALA 74 1HB ALA 74 3.215 0.982 2.100 541 HB3 ALA 74 2HB ALA 74 3.649 -0.707 2.373 542 H LEU 75 H LEU 75 5.854 0.931 5.001 543 HA LEU 75 HA LEU 75 6.575 -1.747 5.742 544 HG LEU 75 HG LEU 75 9.708 0.211 4.674 545 HB2 LEU 75 1HB LEU 75 7.934 0.925 6.200 546 HB3 LEU 75 2HB LEU 75 8.618 -0.621 6.686 547 HD11 LEU 75 1HD1 LEU 75 9.485 -1.706 3.251 548 HD12 LEU 75 2HD1 LEU 75 7.993 -2.165 4.077 549 HD13 LEU 75 3HD1 LEU 75 9.528 -2.158 4.958 550 HD21 LEU 75 3HD2 LEU 75 7.894 1.553 3.675 551 HD22 LEU 75 1HD2 LEU 75 6.999 0.076 3.339 552 HD23 LEU 75 2HD2 LEU 75 8.522 0.390 2.518 553 H LYS 76 H LYS 76 5.881 1.289 7.619 554 HA LYS 76 HA LYS 76 5.794 0.183 10.092 555 HB2 LYS 76 1HB LYS 76 3.830 2.185 8.986 556 HB3 LYS 76 2HB LYS 76 4.291 1.964 10.680 557 HG2 LYS 76 1HG LYS 76 6.527 2.712 10.177 558 HG3 LYS 76 2HG LYS 76 6.097 2.889 8.466 559 HD2 LYS 76 1HD LYS 76 5.984 5.025 9.357 560 HD3 LYS 76 2HD LYS 76 4.306 4.486 9.248 561 HE2 LYS 76 1HE LYS 76 4.320 3.901 11.630 562 HE3 LYS 76 2HE LYS 76 6.006 4.447 11.729 563 HZ1 LYS 76 3HZ LYS 76 3.671 6.156 11.078 564 HZ2 LYS 76 1HZ LYS 76 5.275 6.670 11.181 565 HZ3 LYS 76 2HZ LYS 76 4.481 6.112 12.543 566 H HIS 77 H HIS 77 3.478 -0.130 7.458 567 HA HIS 77 HA HIS 77 1.370 -1.133 9.111 568 HD1 HIS 77 HD1 HIS 77 -1.311 -0.440 8.181 569 HD2 HIS 77 HD2 HIS 77 -0.075 -3.485 5.621 570 HE1 HIS 77 HE1 HIS 77 -3.336 -1.790 7.721 571 HB2 HIS 77 1HB HIS 77 0.962 0.001 6.952 572 HB3 HIS 77 2HB HIS 77 1.697 -1.364 6.103 573 H TYR 78 H TYR 78 3.959 -2.545 7.208 574 HA TYR 78 HA TYR 78 3.123 -5.164 7.806 575 HD1 TYR 78 HD1 TYR 78 3.826 -7.238 6.912 576 HD2 TYR 78 HD2 TYR 78 7.640 -5.480 7.621 577 HE1 TYR 78 HE1 TYR 78 4.772 -9.463 7.315 578 HE2 TYR 78 HE2 TYR 78 8.593 -7.712 8.018 579 HH TYR 78 HH TYR 78 7.774 -9.887 8.746 580 HB2 TYR 78 1HB TYR 78 4.628 -4.772 6.036 581 HB3 TYR 78 2HB TYR 78 5.850 -4.076 7.115 582 H LEU 79 H LEU 79 5.146 -2.790 9.603 583 HA LEU 79 HA LEU 79 5.899 -4.725 11.506 584 HG LEU 79 HG LEU 79 7.397 -2.503 9.635 585 HB2 LEU 79 1HB LEU 79 6.115 -1.718 11.498 586 HB3 LEU 79 2HB LEU 79 6.951 -2.819 12.594 587 HD11 LEU 79 1HD1 LEU 79 8.393 -0.746 10.952 588 HD12 LEU 79 2HD1 LEU 79 9.639 -1.809 10.299 589 HD13 LEU 79 3HD1 LEU 79 9.170 -1.939 11.993 590 HD21 LEU 79 3HD2 LEU 79 7.539 -4.821 10.245 591 HD22 LEU 79 1HD2 LEU 79 8.659 -4.450 11.556 592 HD23 LEU 79 2HD2 LEU 79 9.153 -4.192 9.873 593 H THR 80 H THR 80 3.159 -3.255 10.868 594 HA THR 80 HA THR 80 2.185 -2.404 13.406 595 HB THR 80 HB THR 80 0.704 -3.374 10.963 596 HG1 THR 80 HG1 THR 80 2.016 -1.306 11.150 597 HG21 THR 80 3HG2 THR 80 -1.327 -2.328 11.925 598 HG22 THR 80 1HG2 THR 80 -0.451 -2.037 13.431 599 HG23 THR 80 2HG2 THR 80 -0.763 -3.691 12.885 600 HA PRO 81 HA PRO 81 1.677 -6.556 15.138 601 HB2 PRO 81 1HB PRO 81 0.719 -5.814 17.539 602 HB3 PRO 81 2HB PRO 81 2.443 -5.701 17.124 603 HG2 PRO 81 1HG PRO 81 0.347 -3.594 17.126 604 HG3 PRO 81 2HG PRO 81 2.034 -3.595 17.730 605 HD2 PRO 81 1HD PRO 81 1.309 -2.502 15.322 606 HD3 PRO 81 2HD PRO 81 2.914 -3.214 15.635 607 H ARG 82 H ARG 82 0.170 -7.678 14.761 608 HA ARG 82 HA ARG 82 -2.631 -7.174 15.301 609 HE ARG 82 HE ARG 82 -0.446 -8.004 9.685 610 HB2 ARG 82 1HB ARG 82 -3.302 -7.603 12.897 611 HB3 ARG 82 2HB ARG 82 -2.593 -6.016 13.243 612 HG2 ARG 82 1HG ARG 82 -0.528 -6.680 12.351 613 HG3 ARG 82 2HG ARG 82 -1.067 -8.355 12.185 614 HD2 ARG 82 1HD ARG 82 -2.607 -7.737 10.495 615 HD3 ARG 82 2HD ARG 82 -2.283 -6.012 10.729 616 HH11 ARG 82 1HH1 ARG 82 -1.525 -4.627 9.993 617 HH12 ARG 82 2HH1 ARG 82 -0.140 -4.015 9.203 618 HH21 ARG 82 1HH2 ARG 82 1.330 -7.132 8.509 619 HH22 ARG 82 2HH2 ARG 82 1.479 -5.425 8.325 620 H SER 83 H SER 83 -3.961 -9.059 14.096 621 HA SER 83 HA SER 83 -2.736 -11.504 15.041 622 HG SER 83 HG SER 83 -4.702 -11.045 16.779 623 HB2 SER 83 1HB SER 83 -5.547 -10.940 14.098 624 HB3 SER 83 2HB SER 83 -5.008 -12.317 15.061 625 H GLU 84 H GLU 84 -3.963 -10.020 12.075 626 HA GLU 84 HA GLU 84 -3.518 -12.437 10.499 627 HB2 GLU 84 1HB GLU 84 -4.363 -9.663 9.706 628 HB3 GLU 84 2HB GLU 84 -4.342 -11.063 8.632 629 HG2 GLU 84 1HG GLU 84 -6.077 -12.105 10.015 630 HG3 GLU 84 2HG GLU 84 -6.117 -10.663 11.034 631 HA PRO 85 HA PRO 85 0.501 -11.145 9.190 632 HB2 PRO 85 1HB PRO 85 0.647 -11.927 6.571 633 HB3 PRO 85 2HB PRO 85 0.762 -13.034 7.953 634 HG2 PRO 85 1HG PRO 85 -1.543 -12.465 6.151 635 HG3 PRO 85 2HG PRO 85 -1.035 -13.995 6.897 636 HD2 PRO 85 1HD PRO 85 -3.101 -12.445 7.810 637 HD3 PRO 85 2HD PRO 85 -2.166 -13.568 8.826 638 H HIS 86 H HIS 86 -1.731 -10.330 6.505 639 HA HIS 86 HA HIS 86 -1.837 -8.548 5.006 640 HD2 HIS 86 HD2 HIS 86 -3.320 -8.993 8.117 641 HE1 HIS 86 HE1 HIS 86 -5.909 -5.787 7.191 642 HE2 HIS 86 HE2 HIS 86 -5.721 -8.032 8.378 643 HB2 HIS 86 1HB HIS 86 -1.017 -7.080 7.518 644 HB3 HIS 86 2HB HIS 86 -1.430 -6.266 6.006 645 H CYS 87 H CYS 87 0.418 -9.907 4.595 646 HA CYS 87 HA CYS 87 2.548 -7.987 4.815 647 HG CYS 87 HG CYS 87 2.606 -12.318 5.776 648 HB2 CYS 87 1HB CYS 87 3.995 -10.046 4.211 649 HB3 CYS 87 2HB CYS 87 3.333 -9.797 5.833 650 H LEU 88 H LEU 88 0.454 -8.345 2.640 651 HA LEU 88 HA LEU 88 2.193 -8.482 0.242 652 HG LEU 88 HG LEU 88 0.555 -11.134 1.251 653 HB2 LEU 88 1HB LEU 88 -0.586 -9.426 0.707 654 HB3 LEU 88 2HB LEU 88 0.003 -9.279 -0.919 655 HD11 LEU 88 1HD1 LEU 88 0.506 -12.804 -0.539 656 HD12 LEU 88 2HD1 LEU 88 0.352 -11.511 -1.714 657 HD13 LEU 88 3HD1 LEU 88 -0.984 -11.826 -0.561 658 HD21 LEU 88 3HD2 LEU 88 2.496 -10.578 -0.919 659 HD22 LEU 88 1HD2 LEU 88 2.539 -12.045 0.074 660 HD23 LEU 88 2HD2 LEU 88 2.712 -10.455 0.830 661 H VAL 89 H VAL 89 2.469 -6.989 -0.808 662 HA VAL 89 HA VAL 89 0.346 -4.994 -0.961 663 HB VAL 89 HB VAL 89 1.984 -3.164 -0.866 664 HG11 VAL 89 1HG1 VAL 89 2.545 -3.211 1.528 665 HG12 VAL 89 2HG1 VAL 89 2.054 -4.907 1.576 666 HG13 VAL 89 3HG1 VAL 89 0.865 -3.646 1.206 667 HG21 VAL 89 3HG2 VAL 89 3.979 -5.252 -0.048 668 HG22 VAL 89 1HG2 VAL 89 4.276 -3.507 -0.149 669 HG23 VAL 89 2HG2 VAL 89 3.891 -4.446 -1.610 670 H LEU 90 H LEU 90 0.200 -4.127 -2.971 671 HA LEU 90 HA LEU 90 2.199 -5.034 -4.885 672 HG LEU 90 HG LEU 90 -0.978 -3.180 -4.804 673 HB2 LEU 90 1HB LEU 90 0.587 -4.874 -6.614 674 HB3 LEU 90 2HB LEU 90 -0.249 -5.628 -5.267 675 HD11 LEU 90 1HD1 LEU 90 0.323 -2.195 -6.576 676 HD12 LEU 90 2HD1 LEU 90 -1.404 -1.963 -6.930 677 HD13 LEU 90 3HD1 LEU 90 -0.469 -3.237 -7.744 678 HD21 LEU 90 3HD2 LEU 90 -2.563 -4.932 -5.190 679 HD22 LEU 90 1HD2 LEU 90 -2.182 -4.941 -6.921 680 HD23 LEU 90 2HD2 LEU 90 -2.996 -3.556 -6.205 681 H SER 91 H SER 91 2.934 -3.460 -6.441 682 HA SER 91 HA SER 91 3.211 -0.842 -5.207 683 HG SER 91 HG SER 91 3.629 -2.143 -8.177 684 HB2 SER 91 1HB SER 91 5.172 -0.670 -6.607 685 HB3 SER 91 2HB SER 91 5.080 -2.365 -6.087 686 H LEU 92 H LEU 92 2.187 0.933 -6.090 687 HA LEU 92 HA LEU 92 0.607 0.665 -8.526 688 HG LEU 92 HG LEU 92 -0.523 0.804 -5.945 689 HB2 LEU 92 1HB LEU 92 0.994 2.851 -6.499 690 HB3 LEU 92 2HB LEU 92 -0.029 3.011 -7.929 691 HD11 LEU 92 1HD1 LEU 92 -2.106 2.257 -4.876 692 HD12 LEU 92 2HD1 LEU 92 -1.667 3.577 -5.955 693 HD13 LEU 92 3HD1 LEU 92 -0.501 2.973 -4.769 694 HD21 LEU 92 3HD2 LEU 92 -2.276 2.407 -7.691 695 HD22 LEU 92 1HD2 LEU 92 -2.700 0.923 -6.839 696 HD23 LEU 92 2HD2 LEU 92 -1.561 0.859 -8.218 697 H ASP 93 H ASP 93 3.623 0.870 -8.227 698 HA ASP 93 HA ASP 93 4.136 3.195 -9.959 699 HB2 ASP 93 1HB ASP 93 5.965 1.738 -8.041 700 HB3 ASP 93 2HB ASP 93 6.509 2.978 -9.177 701 H ASN 94 H ASN 94 5.368 -0.051 -9.256 702 HA ASN 94 HA ASN 94 6.312 -0.256 -12.041 703 HB2 ASN 94 1HB ASN 94 8.019 -0.415 -10.256 704 HB3 ASN 94 2HB ASN 94 7.121 -1.745 -9.524 705 HD21 ASN 94 1HD2 ASN 94 8.933 -3.007 -9.625 706 HD22 ASN 94 2HD2 ASN 94 9.485 -3.764 -11.085 707 H TRP 95 H TRP 95 3.882 -1.111 -10.041 708 HA TRP 95 HA TRP 95 2.333 -2.696 -9.828 709 HD1 TRP 95 HD1 TRP 95 2.247 -0.397 -13.398 710 HE1 TRP 95 HE1 TRP 95 0.258 1.166 -12.982 711 HE3 TRP 95 HE3 TRP 95 -0.393 -3.261 -10.087 712 HZ2 TRP 95 HZ2 TRP 95 -2.083 1.218 -11.434 713 HZ3 TRP 95 HZ3 TRP 95 -2.502 -2.368 -9.188 714 HH2 TRP 95 HH2 TRP 95 -3.325 -0.178 -9.850 715 HB2 TRP 95 1HB TRP 95 2.761 -2.873 -12.806 716 HB3 TRP 95 2HB TRP 95 1.500 -3.778 -11.975 717 H SER 96 H SER 96 4.485 -3.654 -8.719 718 HA SER 96 HA SER 96 4.432 -6.433 -9.598 719 HG SER 96 HG SER 96 7.529 -4.543 -9.317 720 HB2 SER 96 1HB SER 96 6.348 -5.153 -7.689 721 HB3 SER 96 2HB SER 96 6.477 -6.713 -8.497 722 H VAL 97 H VAL 97 4.768 -7.803 -7.584 723 HA VAL 97 HA VAL 97 3.117 -6.770 -5.414 724 HB VAL 97 HB VAL 97 3.322 -9.532 -6.628 725 HG11 VAL 97 1HG1 VAL 97 3.672 -9.742 -4.260 726 HG12 VAL 97 2HG1 VAL 97 2.096 -10.397 -4.781 727 HG13 VAL 97 3HG1 VAL 97 2.189 -8.814 -3.948 728 HG21 VAL 97 3HG2 VAL 97 0.970 -7.911 -5.742 729 HG22 VAL 97 1HG2 VAL 97 1.005 -9.466 -6.576 730 HG23 VAL 97 2HG2 VAL 97 1.595 -8.009 -7.402 731 H TRP 98 H TRP 98 3.922 -7.086 -3.373 732 HA TRP 98 HA TRP 98 6.575 -8.268 -3.236 733 HD1 TRP 98 HD1 TRP 98 7.228 -6.911 0.527 734 HE1 TRP 98 HE1 TRP 98 9.728 -7.487 0.766 735 HE3 TRP 98 HE3 TRP 98 8.605 -6.404 -4.359 736 HZ2 TRP 98 HZ2 TRP 98 11.930 -7.678 -0.902 737 HZ3 TRP 98 HZ3 TRP 98 10.918 -6.790 -4.982 738 HH2 TRP 98 HH2 TRP 98 12.593 -7.406 -3.287 739 HB2 TRP 98 1HB TRP 98 6.543 -5.640 -2.985 740 HB3 TRP 98 2HB TRP 98 5.760 -6.000 -1.442 741 H CYS 99 H CYS 99 6.823 -9.762 -1.657 742 HA CYS 99 HA CYS 99 4.619 -9.887 0.234 743 HB2 CYS 99 1HB CYS 99 4.500 -11.871 -1.056 744 HB3 CYS 99 2HB CYS 99 6.239 -12.161 -1.036 745 H TYR 100 H TYR 100 5.291 -9.256 2.135 746 HA TYR 100 HA TYR 100 8.047 -8.654 2.518 747 HD1 TYR 100 HD1 TYR 100 8.275 -6.250 3.133 748 HD2 TYR 100 HD2 TYR 100 4.222 -7.174 3.968 749 HE1 TYR 100 HE1 TYR 100 7.643 -3.983 2.428 750 HE2 TYR 100 HE2 TYR 100 3.553 -4.887 3.246 751 HH TYR 100 HH TYR 100 5.662 -2.804 1.581 752 HB2 TYR 100 1HB TYR 100 5.781 -8.689 4.463 753 HB3 TYR 100 2HB TYR 100 7.409 -8.128 4.844 754 H VAL 101 H VAL 101 6.124 -11.382 3.383 755 HA VAL 101 HA VAL 101 8.082 -12.279 5.308 756 HB VAL 101 HB VAL 101 5.747 -12.669 5.798 757 HG11 VAL 101 1HG1 VAL 101 4.869 -12.788 3.645 758 HG12 VAL 101 2HG1 VAL 101 4.436 -14.312 4.457 759 HG13 VAL 101 3HG1 VAL 101 5.780 -14.232 3.291 760 HG21 VAL 101 3HG2 VAL 101 7.176 -15.281 5.280 761 HG22 VAL 101 1HG2 VAL 101 5.764 -15.086 6.319 762 HG23 VAL 101 2HG2 VAL 101 7.287 -14.302 6.740 763 H CYS 102 H CYS 102 7.549 -12.705 1.911 764 HA CYS 102 HA CYS 102 9.387 -14.979 1.848 765 HB2 CYS 102 1HB CYS 102 7.782 -13.487 -0.229 766 HB3 CYS 102 2HB CYS 102 9.121 -14.536 -0.683 767 H ASP 103 H ASP 103 8.922 -11.643 1.409 768 HA ASP 103 HA ASP 103 9.928 -9.927 0.821 769 HB2 ASP 103 1HB ASP 103 11.129 -10.351 2.983 770 HB3 ASP 103 2HB ASP 103 12.481 -10.987 2.023 771 H ASN 104 H ASN 104 9.451 -10.780 -1.249 772 HA ASN 104 HA ASN 104 11.642 -10.132 -2.863 773 HB2 ASN 104 1HB ASN 104 11.595 -12.133 -4.182 774 HB3 ASN 104 2HB ASN 104 11.760 -12.622 -2.473 775 HD21 ASN 104 1HD2 ASN 104 9.625 -12.344 -5.109 776 HD22 ASN 104 2HD2 ASN 104 8.291 -13.163 -4.440 777 H GLU 105 H GLU 105 10.666 -10.258 -5.140 778 HA GLU 105 HA GLU 105 8.169 -8.866 -5.252 779 HB2 GLU 105 1HB GLU 105 10.210 -8.400 -6.415 780 HB3 GLU 105 2HB GLU 105 9.996 -9.865 -7.367 781 HG2 GLU 105 1HG GLU 105 7.864 -9.131 -8.114 782 HG3 GLU 105 2HG GLU 105 8.065 -7.629 -7.208 783 H VAL 106 H VAL 106 6.305 -9.950 -5.895 784 HA VAL 106 HA VAL 106 6.577 -12.792 -6.568 785 HB VAL 106 HB VAL 106 3.947 -11.391 -5.913 786 HG11 VAL 106 1HG1 VAL 106 3.717 -13.459 -7.211 787 HG12 VAL 106 2HG1 VAL 106 3.145 -13.689 -5.558 788 HG13 VAL 106 3HG1 VAL 106 4.722 -14.312 -6.043 789 HG21 VAL 106 3HG2 VAL 106 4.192 -12.449 -3.690 790 HG22 VAL 106 1HG2 VAL 106 5.486 -11.288 -4.020 791 HG23 VAL 106 2HG2 VAL 106 5.802 -13.010 -4.172 792 H GLN 107 H GLN 107 5.940 -13.680 -8.392 793 HA GLN 107 HA GLN 107 6.035 -12.027 -10.692 794 HB2 GLN 107 1HB GLN 107 5.629 -15.007 -10.450 795 HB3 GLN 107 2HB GLN 107 5.823 -14.144 -11.973 796 HG2 GLN 107 1HG GLN 107 7.895 -15.213 -11.418 797 HG3 GLN 107 2HG GLN 107 8.096 -13.479 -11.235 798 HE21 GLN 107 1HE2 GLN 107 8.551 -12.671 -9.233 799 HE22 GLN 107 2HE2 GLN 107 8.949 -13.642 -7.867 800 H TYR 108 H TYR 108 3.570 -14.199 -9.478 801 HA TYR 108 HA TYR 108 1.470 -14.737 -10.153 802 HD1 TYR 108 HD1 TYR 108 2.494 -11.139 -8.427 803 HD2 TYR 108 HD2 TYR 108 -0.304 -11.223 -11.582 804 HE1 TYR 108 HE1 TYR 108 2.924 -8.869 -8.777 805 HE2 TYR 108 HE2 TYR 108 0.083 -8.884 -12.024 806 HH TYR 108 HH TYR 108 2.670 -7.120 -10.778 807 HB2 TYR 108 1HB TYR 108 -0.193 -12.938 -9.992 808 HB3 TYR 108 2HB TYR 108 0.961 -12.926 -8.655 809 H CYS 109 H CYS 109 -0.482 -13.850 -11.616 810 HA CYS 109 HA CYS 109 0.343 -13.146 -14.250 811 HG CYS 109 HG CYS 109 -1.689 -16.145 -12.641 812 HB2 CYS 109 1HB CYS 109 -0.391 -15.309 -15.284 813 HB3 CYS 109 2HB CYS 109 1.109 -15.423 -14.352 814 H SER 110 H SER 110 -1.687 -13.632 -15.778 815 HA SER 110 HA SER 110 -3.841 -12.240 -14.691 816 HG SER 110 HG SER 110 -2.671 -12.351 -17.982 817 HB2 SER 110 1HB SER 110 -3.712 -13.951 -17.177 818 HB3 SER 110 2HB SER 110 -4.992 -12.790 -16.815 819 H SER 111 H SER 111 -3.135 -15.615 -14.533 820 HA SER 111 HA SER 111 -5.826 -16.145 -13.539 821 HG SER 111 HG SER 111 -3.063 -17.777 -15.391 822 HB2 SER 111 1HB SER 111 -5.097 -18.562 -13.680 823 HB3 SER 111 2HB SER 111 -5.165 -17.724 -15.241 824 H ASN 112 H ASN 112 -5.917 -17.527 -11.542 825 HA ASN 112 HA ASN 112 -5.531 -17.880 -9.380 826 HB2 ASN 112 1HB ASN 112 -3.328 -18.805 -9.841 827 HB3 ASN 112 2HB ASN 112 -2.616 -17.195 -9.963 828 HD21 ASN 112 1HD2 ASN 112 -1.121 -17.634 -8.394 829 HD22 ASN 112 2HD2 ASN 112 -1.501 -17.814 -6.706 830 H GLN 113 H GLN 113 -5.662 -16.840 -7.513 831 HA GLN 113 HA GLN 113 -7.085 -14.577 -7.520 832 HB2 GLN 113 1HB GLN 113 -6.928 -16.177 -5.703 833 HB3 GLN 113 2HB GLN 113 -5.374 -15.496 -5.234 834 HG2 GLN 113 1HG GLN 113 -6.511 -13.304 -4.858 835 HG3 GLN 113 2HG GLN 113 -8.055 -14.128 -5.107 836 HE21 GLN 113 1HE2 GLN 113 -5.341 -13.734 -3.061 837 HE22 GLN 113 2HE2 GLN 113 -6.023 -14.407 -1.623 838 H LEU 114 H LEU 114 -3.454 -14.556 -7.307 839 HA LEU 114 HA LEU 114 -3.358 -11.961 -6.085 840 HG LEU 114 HG LEU 114 -0.383 -11.459 -7.217 841 HB2 LEU 114 1HB LEU 114 -1.680 -13.717 -5.700 842 HB3 LEU 114 2HB LEU 114 -1.299 -13.703 -7.418 843 HD11 LEU 114 1HD1 LEU 114 -0.180 -10.397 -5.021 844 HD12 LEU 114 2HD1 LEU 114 -1.163 -11.676 -4.308 845 HD13 LEU 114 3HD1 LEU 114 -1.866 -10.574 -5.497 846 HD21 LEU 114 3HD2 LEU 114 0.603 -13.218 -5.003 847 HD22 LEU 114 1HD2 LEU 114 1.516 -11.985 -5.861 848 HD23 LEU 114 2HD2 LEU 114 0.997 -13.451 -6.701 849 H GLY 115 H GLY 115 -2.840 -13.340 -9.246 850 HA2 GLY 115 1HA GLY 115 -2.212 -10.803 -10.406 851 HA3 GLY 115 2HA GLY 115 -2.605 -12.274 -11.305 852 H GLN 116 H GLN 116 -5.193 -12.765 -10.029 853 HA GLN 116 HA GLN 116 -6.974 -11.400 -11.567 854 HB2 GLN 116 1HB GLN 116 -7.348 -12.459 -8.808 855 HB3 GLN 116 2HB GLN 116 -8.607 -12.144 -10.007 856 HG2 GLN 116 1HG GLN 116 -6.374 -14.049 -10.432 857 HG3 GLN 116 2HG GLN 116 -7.893 -14.423 -9.614 858 HE21 GLN 116 1HE2 GLN 116 -8.374 -15.921 -11.140 859 HE22 GLN 116 2HE2 GLN 116 -8.878 -15.497 -12.747 860 H VAL 117 H VAL 117 -5.704 -10.724 -8.303 861 HA VAL 117 HA VAL 117 -7.669 -8.737 -8.072 862 HB VAL 117 HB VAL 117 -5.798 -9.942 -6.097 863 HG11 VAL 117 1HG1 VAL 117 -6.285 -8.181 -4.460 864 HG12 VAL 117 2HG1 VAL 117 -7.218 -7.300 -5.694 865 HG13 VAL 117 3HG1 VAL 117 -5.476 -7.515 -5.891 866 HG21 VAL 117 3HG2 VAL 117 -8.022 -9.894 -4.872 867 HG22 VAL 117 1HG2 VAL 117 -7.899 -10.858 -6.368 868 HG23 VAL 117 2HG2 VAL 117 -8.655 -9.264 -6.380 869 H VAL 118 H VAL 118 -4.076 -8.807 -8.335 870 HA VAL 118 HA VAL 118 -3.694 -6.111 -8.427 871 HB VAL 118 HB VAL 118 -2.400 -8.262 -10.122 872 HG11 VAL 118 1HG1 VAL 118 -0.540 -6.662 -10.458 873 HG12 VAL 118 2HG1 VAL 118 -1.461 -5.423 -9.604 874 HG13 VAL 118 3HG1 VAL 118 -2.044 -6.050 -11.146 875 HG21 VAL 118 3HG2 VAL 118 -0.582 -8.108 -8.513 876 HG22 VAL 118 1HG2 VAL 118 -2.099 -8.559 -7.722 877 HG23 VAL 118 2HG2 VAL 118 -1.492 -6.896 -7.612 878 H ASP 119 H ASP 119 -5.055 -8.177 -10.880 879 HA ASP 119 HA ASP 119 -5.033 -6.250 -13.020 880 HB2 ASP 119 1HB ASP 119 -5.274 -8.738 -13.358 881 HB3 ASP 119 2HB ASP 119 -6.833 -8.639 -12.548 882 H TYR 120 H TYR 120 -7.247 -7.288 -10.615 883 HA TYR 120 HA TYR 120 -9.499 -5.724 -11.398 884 HD1 TYR 120 HD1 TYR 120 -11.954 -5.678 -9.902 885 HD2 TYR 120 HD2 TYR 120 -9.043 -6.363 -6.884 886 HE1 TYR 120 HE1 TYR 120 -13.341 -4.518 -8.280 887 HE2 TYR 120 HE2 TYR 120 -10.387 -5.236 -5.271 888 HH TYR 120 HH TYR 120 -12.192 -3.454 -5.319 889 HB2 TYR 120 1HB TYR 120 -10.127 -7.522 -10.022 890 HB3 TYR 120 2HB TYR 120 -8.742 -7.287 -8.946 891 H VAL 121 H VAL 121 -6.932 -5.226 -9.054 892 HA VAL 121 HA VAL 121 -8.010 -2.743 -8.134 893 HB VAL 121 HB VAL 121 -5.295 -4.074 -7.763 894 HG11 VAL 121 1HG1 VAL 121 -5.099 -1.673 -7.483 895 HG12 VAL 121 2HG1 VAL 121 -4.922 -2.522 -5.945 896 HG13 VAL 121 3HG1 VAL 121 -6.439 -1.702 -6.339 897 HG21 VAL 121 3HG2 VAL 121 -6.108 -4.539 -5.480 898 HG22 VAL 121 1HG2 VAL 121 -7.056 -5.330 -6.745 899 HG23 VAL 121 2HG2 VAL 121 -7.679 -3.885 -5.963 900 H ARG 122 H ARG 122 -5.832 -3.762 -10.601 901 HA ARG 122 HA ARG 122 -4.870 -1.164 -11.213 902 HE ARG 122 HE ARG 122 -3.467 -4.395 -14.493 903 HB2 ARG 122 1HB ARG 122 -3.875 -3.388 -11.898 904 HB3 ARG 122 2HB ARG 122 -5.176 -3.491 -13.090 905 HG2 ARG 122 1HG ARG 122 -4.232 -1.845 -14.419 906 HG3 ARG 122 2HG ARG 122 -3.518 -1.073 -13.000 907 HD2 ARG 122 1HD ARG 122 -1.823 -2.168 -14.434 908 HD3 ARG 122 2HD ARG 122 -1.919 -2.790 -12.782 909 HH11 ARG 122 1HH1 ARG 122 -0.094 -3.590 -13.910 910 HH12 ARG 122 2HH1 ARG 122 0.480 -5.189 -14.058 911 HH21 ARG 122 1HH2 ARG 122 -2.664 -6.641 -14.742 912 HH22 ARG 122 2HH2 ARG 122 -0.995 -6.927 -14.517 913 H LYS 123 H LYS 123 -7.780 -3.012 -12.139 914 HA LYS 123 HA LYS 123 -8.762 -1.060 -13.926 915 HB2 LYS 123 1HB LYS 123 -10.302 -2.958 -12.150 916 HB3 LYS 123 2HB LYS 123 -10.891 -2.164 -13.592 917 HG2 LYS 123 1HG LYS 123 -8.731 -4.255 -13.513 918 HG3 LYS 123 2HG LYS 123 -10.434 -4.543 -13.900 919 HD2 LYS 123 1HD LYS 123 -10.213 -2.993 -15.772 920 HD3 LYS 123 2HD LYS 123 -8.490 -2.832 -15.410 921 HE2 LYS 123 1HE LYS 123 -8.131 -5.196 -15.785 922 HE3 LYS 123 2HE LYS 123 -9.854 -5.456 -16.029 923 HZ1 LYS 123 3HZ LYS 123 -9.756 -4.141 -18.035 924 HZ2 LYS 123 1HZ LYS 123 -8.628 -5.384 -18.100 925 HZ3 LYS 123 2HZ LYS 123 -8.120 -3.806 -17.798 926 H GLN 124 H GLN 124 -8.606 -1.372 -10.474 927 HA GLN 124 HA GLN 124 -10.859 0.301 -9.954 928 HB2 GLN 124 1HB GLN 124 -8.710 -0.506 -8.012 929 HB3 GLN 124 2HB GLN 124 -10.078 0.514 -7.568 930 HG2 GLN 124 1HG GLN 124 -9.943 -2.405 -7.948 931 HG3 GLN 124 2HG GLN 124 -10.963 -1.348 -6.954 932 HE21 GLN 124 1HE2 GLN 124 -10.537 -2.787 -9.940 933 HE22 GLN 124 2HE2 GLN 124 -12.111 -2.641 -10.569 934 H ALA 125 H ALA 125 -7.418 0.622 -9.584 935 HA ALA 125 HA ALA 125 -7.354 3.383 -8.946 936 HB1 ALA 125 3HB ALA 125 -5.209 1.525 -9.989 937 HB2 ALA 125 1HB ALA 125 -5.704 1.749 -8.304 938 HB3 ALA 125 2HB ALA 125 -4.981 3.102 -9.189 939 H SER 126 H SER 126 -6.716 1.469 -11.790 940 HA SER 126 HA SER 126 -6.244 2.019 -13.925 941 HG SER 126 HG SER 126 -8.578 3.611 -15.626 942 HB2 SER 126 1HB SER 126 -8.702 1.671 -13.680 943 HB3 SER 126 2HB SER 126 -8.915 3.421 -13.560 Start of MODEL 12 1 HA PRO 5 HA PRO 5 10.704 -18.803 -7.056 2 HB2 PRO 5 1HB PRO 5 8.814 -20.770 -7.269 3 HB3 PRO 5 2HB PRO 5 10.560 -21.111 -7.211 4 HG2 PRO 5 1HG PRO 5 8.474 -21.327 -5.093 5 HG3 PRO 5 2HG PRO 5 9.903 -22.350 -5.378 6 HD2 PRO 5 1HD PRO 5 9.747 -20.510 -3.421 7 HD3 PRO 5 2HD PRO 5 11.277 -20.912 -4.234 8 H VAL 6 H VAL 6 7.944 -19.222 -4.986 9 HA VAL 6 HA VAL 6 6.652 -16.987 -6.206 10 HB VAL 6 HB VAL 6 6.034 -19.066 -7.520 11 HG11 VAL 6 1HG1 VAL 6 4.387 -20.617 -6.578 12 HG12 VAL 6 2HG1 VAL 6 4.663 -19.897 -4.991 13 HG13 VAL 6 3HG1 VAL 6 5.980 -20.715 -5.831 14 HG21 VAL 6 3HG2 VAL 6 4.682 -17.089 -7.523 15 HG22 VAL 6 1HG2 VAL 6 3.776 -17.672 -6.124 16 HG23 VAL 6 2HG2 VAL 6 3.672 -18.543 -7.672 17 H CYS 7 H CYS 7 4.559 -16.636 -4.853 18 HA CYS 7 HA CYS 7 5.338 -16.859 -2.104 19 HB2 CYS 7 1HB CYS 7 4.641 -14.710 -2.970 20 HB3 CYS 7 2HB CYS 7 3.083 -15.396 -3.457 21 H ARG 8 H ARG 8 4.509 -18.325 -0.802 22 HA ARG 8 HA ARG 8 2.039 -19.796 -1.475 23 HE ARG 8 HE ARG 8 2.195 -23.019 -0.922 24 HB2 ARG 8 1HB ARG 8 4.354 -20.423 0.345 25 HB3 ARG 8 2HB ARG 8 2.876 -21.392 0.237 26 HG2 ARG 8 1HG ARG 8 4.837 -20.855 -1.977 27 HG3 ARG 8 2HG ARG 8 4.654 -22.384 -1.101 28 HD2 ARG 8 1HD ARG 8 2.660 -21.044 -2.937 29 HD3 ARG 8 2HD ARG 8 3.521 -22.554 -3.215 30 HH11 ARG 8 1HH1 ARG 8 1.098 -21.931 -4.143 31 HH12 ARG 8 2HH1 ARG 8 -0.441 -22.603 -3.969 32 HH21 ARG 8 1HH2 ARG 8 0.086 -23.888 -0.709 33 HH22 ARG 8 2HH2 ARG 8 -1.055 -23.762 -1.959 34 H HIS 9 H HIS 9 2.244 -17.167 -0.418 35 HA HIS 9 HA HIS 9 0.760 -17.393 2.199 36 HD2 HIS 9 HD2 HIS 9 2.879 -17.483 4.298 37 HE1 HIS 9 HE1 HIS 9 6.600 -16.342 2.631 38 HE2 HIS 9 HE2 HIS 9 5.464 -17.672 4.475 39 HB2 HIS 9 1HB HIS 9 2.396 -15.028 1.251 40 HB3 HIS 9 2HB HIS 9 1.588 -15.226 2.807 41 H ILE 10 H ILE 10 0.011 -17.458 -0.704 42 HA ILE 10 HA ILE 10 -0.712 -15.074 -1.712 43 HB ILE 10 HB ILE 10 -2.067 -17.749 -2.169 44 HG12 ILE 10 1HG1 ILE 10 0.305 -17.683 -2.778 45 HG13 ILE 10 2HG1 ILE 10 -0.715 -17.800 -4.219 46 HG21 ILE 10 1HG2 ILE 10 -2.353 -15.236 -3.817 47 HG22 ILE 10 2HG2 ILE 10 -3.614 -15.996 -2.848 48 HG23 ILE 10 3HG2 ILE 10 -2.966 -16.831 -4.261 49 HD11 ILE 10 3HD1 ILE 10 -0.397 -15.374 -4.579 50 HD12 ILE 10 1HD1 ILE 10 1.124 -16.280 -4.583 51 HD13 ILE 10 2HD1 ILE 10 0.659 -15.345 -3.165 52 H ARG 11 H ARG 11 -2.712 -17.530 -0.293 53 HA ARG 11 HA ARG 11 -5.150 -16.095 -0.219 54 HE ARG 11 HE ARG 11 -3.538 -20.560 -0.162 55 HB2 ARG 11 1HB ARG 11 -4.247 -18.521 1.196 56 HB3 ARG 11 2HB ARG 11 -5.926 -17.985 1.170 57 HG2 ARG 11 1HG ARG 11 -6.040 -18.264 -1.236 58 HG3 ARG 11 2HG ARG 11 -4.312 -18.652 -1.297 59 HD2 ARG 11 1HD ARG 11 -6.404 -20.274 0.141 60 HD3 ARG 11 2HD ARG 11 -5.756 -20.648 -1.452 61 HH11 ARG 11 1HH1 ARG 11 -6.575 -22.001 0.975 62 HH12 ARG 11 2HH1 ARG 11 -5.804 -23.126 1.991 63 HH21 ARG 11 1HH2 ARG 11 -2.503 -22.123 1.230 64 HH22 ARG 11 2HH2 ARG 11 -3.447 -23.189 2.136 65 H LYS 12 H LYS 12 -2.597 -16.309 2.030 66 HA LYS 12 HA LYS 12 -4.188 -15.424 4.237 67 HB2 LYS 12 1HB LYS 12 -1.178 -15.528 4.027 68 HB3 LYS 12 2HB LYS 12 -2.079 -15.237 5.506 69 HG2 LYS 12 1HG LYS 12 -3.155 -17.493 5.162 70 HG3 LYS 12 2HG LYS 12 -1.971 -17.748 3.867 71 HD2 LYS 12 1HD LYS 12 -1.353 -17.217 6.778 72 HD3 LYS 12 2HD LYS 12 -1.243 -18.775 5.971 73 HE2 LYS 12 1HE LYS 12 0.529 -17.916 4.526 74 HE3 LYS 12 2HE LYS 12 0.386 -16.325 5.276 75 HZ1 LYS 12 3HZ LYS 12 1.205 -18.822 6.668 76 HZ2 LYS 12 1HZ LYS 12 1.066 -17.315 7.388 77 HZ3 LYS 12 2HZ LYS 12 2.240 -17.581 6.231 78 H GLY 13 H GLY 13 -2.516 -13.932 1.668 79 HA2 GLY 13 1HA GLY 13 -2.346 -11.271 2.988 80 HA3 GLY 13 2HA GLY 13 -1.330 -11.857 1.687 81 H LEU 14 H LEU 14 -3.506 -13.121 0.363 82 HA LEU 14 HA LEU 14 -4.535 -10.848 -1.079 83 HG LEU 14 HG LEU 14 -5.069 -13.376 -3.833 84 HB2 LEU 14 1HB LEU 14 -3.521 -12.982 -2.077 85 HB3 LEU 14 2HB LEU 14 -4.987 -13.770 -1.503 86 HD11 LEU 14 1HD1 LEU 14 -6.964 -11.602 -2.434 87 HD12 LEU 14 2HD1 LEU 14 -7.100 -13.348 -2.646 88 HD13 LEU 14 3HD1 LEU 14 -7.127 -12.269 -4.074 89 HD21 LEU 14 3HD2 LEU 14 -3.641 -11.438 -3.888 90 HD22 LEU 14 1HD2 LEU 14 -5.036 -10.492 -3.279 91 HD23 LEU 14 2HD2 LEU 14 -5.153 -11.400 -4.825 92 H GLU 15 H GLU 15 -6.402 -10.072 -0.411 93 HA GLU 15 HA GLU 15 -8.539 -11.751 0.714 94 HB2 GLU 15 1HB GLU 15 -6.928 -9.768 1.821 95 HB3 GLU 15 2HB GLU 15 -8.297 -8.886 1.162 96 HG2 GLU 15 1HG GLU 15 -8.260 -9.709 3.581 97 HG3 GLU 15 2HG GLU 15 -9.769 -9.839 2.718 98 H GLN 16 H GLN 16 -10.440 -11.379 -0.384 99 HA GLN 16 HA GLN 16 -10.109 -9.615 -2.712 100 HB2 GLN 16 1HB GLN 16 -12.026 -11.942 -2.722 101 HB3 GLN 16 2HB GLN 16 -11.526 -10.875 -4.035 102 HG2 GLN 16 1HG GLN 16 -9.227 -11.789 -3.881 103 HG3 GLN 16 2HG GLN 16 -9.812 -12.888 -2.634 104 HE21 GLN 16 1HE2 GLN 16 -9.963 -12.097 -6.004 105 HE22 GLN 16 2HE2 GLN 16 -10.625 -13.618 -6.526 106 H GLY 17 H GLY 17 -12.454 -10.860 -0.469 107 HA2 GLY 17 1HA GLY 17 -14.672 -9.255 -1.401 108 HA3 GLY 17 2HA GLY 17 -14.640 -10.209 0.090 109 H ASN 18 H ASN 18 -12.264 -8.978 1.057 110 HA ASN 18 HA ASN 18 -13.355 -6.748 2.455 111 HB2 ASN 18 1HB ASN 18 -11.709 -8.323 3.425 112 HB3 ASN 18 2HB ASN 18 -10.528 -7.811 2.235 113 HD21 ASN 18 1HD2 ASN 18 -9.090 -7.223 3.748 114 HD22 ASN 18 2HD2 ASN 18 -9.285 -5.850 4.782 115 H LEU 19 H LEU 19 -11.260 -7.253 -0.273 116 HA LEU 19 HA LEU 19 -10.073 -4.730 -0.509 117 HG LEU 19 HG LEU 19 -8.556 -7.590 -2.193 118 HB2 LEU 19 1HB LEU 19 -10.595 -6.912 -2.458 119 HB3 LEU 19 2HB LEU 19 -9.908 -5.373 -2.966 120 HD11 LEU 19 1HD1 LEU 19 -6.598 -6.067 -2.186 121 HD12 LEU 19 2HD1 LEU 19 -7.756 -4.706 -2.223 122 HD13 LEU 19 3HD1 LEU 19 -7.705 -5.882 -3.557 123 HD21 LEU 19 3HD2 LEU 19 -7.347 -7.064 -0.164 124 HD22 LEU 19 1HD2 LEU 19 -9.071 -7.214 0.159 125 HD23 LEU 19 2HD2 LEU 19 -8.318 -5.608 0.082 126 H LYS 20 H LYS 20 -13.112 -5.987 -1.973 127 HA LYS 20 HA LYS 20 -13.628 -3.768 -3.585 128 HB2 LYS 20 1HB LYS 20 -15.333 -5.817 -2.201 129 HB3 LYS 20 2HB LYS 20 -16.081 -4.452 -2.993 130 HG2 LYS 20 1HG LYS 20 -16.175 -6.309 -4.438 131 HG3 LYS 20 2HG LYS 20 -14.985 -5.173 -5.099 132 HD2 LYS 20 1HD LYS 20 -13.205 -6.605 -4.254 133 HD3 LYS 20 2HD LYS 20 -14.417 -7.713 -3.572 134 HE2 LYS 20 1HE LYS 20 -15.337 -8.047 -5.830 135 HE3 LYS 20 2HE LYS 20 -14.066 -7.001 -6.480 136 HZ1 LYS 20 3HZ LYS 20 -13.693 -9.602 -5.120 137 HZ2 LYS 20 1HZ LYS 20 -12.424 -8.654 -5.704 138 HZ3 LYS 20 2HZ LYS 20 -13.551 -9.323 -6.753 139 H LYS 21 H LYS 21 -14.049 -4.185 -0.108 140 HA LYS 21 HA LYS 21 -15.876 -1.938 0.100 141 HB2 LYS 21 1HB LYS 21 -14.401 -3.460 2.234 142 HB3 LYS 21 2HB LYS 21 -15.828 -2.453 2.430 143 HG2 LYS 21 1HG LYS 21 -17.225 -4.023 1.404 144 HG3 LYS 21 2HG LYS 21 -15.846 -4.912 0.722 145 HD2 LYS 21 1HD LYS 21 -16.691 -6.157 2.572 146 HD3 LYS 21 2HD LYS 21 -15.133 -5.421 2.967 147 HE2 LYS 21 1HE LYS 21 -16.273 -3.628 4.197 148 HE3 LYS 21 2HE LYS 21 -17.836 -4.332 3.796 149 HZ1 LYS 21 3HZ LYS 21 -17.173 -6.318 5.061 150 HZ2 LYS 21 1HZ LYS 21 -17.198 -4.924 6.010 151 HZ3 LYS 21 2HZ LYS 21 -15.728 -5.560 5.478 152 H ALA 22 H ALA 22 -12.470 -2.538 0.208 153 HA ALA 22 HA ALA 22 -11.957 -0.125 1.700 154 HB1 ALA 22 3HB ALA 22 -10.089 -2.056 0.368 155 HB2 ALA 22 1HB ALA 22 -10.596 -2.106 2.054 156 HB3 ALA 22 2HB ALA 22 -9.629 -0.751 1.464 157 H LEU 23 H LEU 23 -11.866 -1.271 -1.624 158 HA LEU 23 HA LEU 23 -10.456 1.076 -2.503 159 HG LEU 23 HG LEU 23 -10.414 -2.319 -2.937 160 HB2 LEU 23 1HB LEU 23 -11.761 -0.949 -4.254 161 HB3 LEU 23 2HB LEU 23 -10.417 0.119 -4.649 162 HD11 LEU 23 1HD1 LEU 23 -8.898 -1.685 -5.421 163 HD12 LEU 23 2HD1 LEU 23 -10.214 -2.840 -5.214 164 HD13 LEU 23 3HD1 LEU 23 -8.666 -3.108 -4.409 165 HD21 LEU 23 3HD2 LEU 23 -8.090 -0.408 -3.206 166 HD22 LEU 23 1HD2 LEU 23 -8.062 -1.998 -2.426 167 HD23 LEU 23 2HD2 LEU 23 -9.063 -0.722 -1.749 168 H VAL 24 H VAL 24 -13.550 0.462 -1.739 169 HA VAL 24 HA VAL 24 -15.058 1.886 -3.633 170 HB VAL 24 HB VAL 24 -15.536 1.785 -0.627 171 HG11 VAL 24 1HG1 VAL 24 -17.828 2.421 -1.117 172 HG12 VAL 24 2HG1 VAL 24 -17.416 2.620 -2.826 173 HG13 VAL 24 3HG1 VAL 24 -16.685 3.680 -1.609 174 HG21 VAL 24 3HG2 VAL 24 -17.216 0.110 -1.175 175 HG22 VAL 24 1HG2 VAL 24 -15.608 -0.394 -1.691 176 HG23 VAL 24 2HG2 VAL 24 -16.763 0.215 -2.878 177 H ASN 25 H ASN 25 -13.832 3.267 -0.554 178 HA ASN 25 HA ASN 25 -14.115 5.936 -1.762 179 HB2 ASN 25 1HB ASN 25 -13.813 5.129 1.139 180 HB3 ASN 25 2HB ASN 25 -13.906 6.800 0.567 181 HD21 ASN 25 1HD2 ASN 25 -15.610 3.909 1.277 182 HD22 ASN 25 2HD2 ASN 25 -17.208 4.561 1.067 183 H VAL 26 H VAL 26 -11.831 3.862 -1.919 184 HA VAL 26 HA VAL 26 -9.694 4.866 -0.465 185 HB VAL 26 HB VAL 26 -10.262 2.692 -1.639 186 HG11 VAL 26 1HG1 VAL 26 -8.980 2.158 -3.580 187 HG12 VAL 26 2HG1 VAL 26 -8.709 3.890 -3.832 188 HG13 VAL 26 3HG1 VAL 26 -10.350 3.225 -3.829 189 HG21 VAL 26 3HG2 VAL 26 -7.947 1.975 -1.518 190 HG22 VAL 26 1HG2 VAL 26 -8.609 2.852 -0.137 191 HG23 VAL 26 2HG2 VAL 26 -7.510 3.692 -1.250 192 H GLU 27 H GLU 27 -7.904 5.858 -1.165 193 HA GLU 27 HA GLU 27 -8.172 7.657 -3.448 194 HB2 GLU 27 1HB GLU 27 -6.220 8.820 -2.354 195 HB3 GLU 27 2HB GLU 27 -7.794 9.108 -1.653 196 HG2 GLU 27 1HG GLU 27 -5.832 7.079 -0.675 197 HG3 GLU 27 2HG GLU 27 -5.881 8.770 -0.152 198 H TRP 28 H TRP 28 -7.072 7.234 -5.039 199 HA TRP 28 HA TRP 28 -5.151 5.105 -4.880 200 HD1 TRP 28 HD1 TRP 28 -8.747 4.980 -7.081 201 HE1 TRP 28 HE1 TRP 28 -9.409 2.555 -6.478 202 HE3 TRP 28 HE3 TRP 28 -4.185 3.270 -5.749 203 HZ2 TRP 28 HZ2 TRP 28 -8.109 0.259 -5.630 204 HZ3 TRP 28 HZ3 TRP 28 -3.962 0.938 -5.029 205 HH2 TRP 28 HH2 TRP 28 -5.887 -0.528 -4.961 206 HB2 TRP 28 1HB TRP 28 -6.659 6.331 -7.057 207 HB3 TRP 28 2HB TRP 28 -5.268 5.341 -7.497 208 H ASN 29 H ASN 29 -3.251 5.068 -4.960 209 HA ASN 29 HA ASN 29 -1.078 5.570 -5.065 210 HB2 ASN 29 1HB ASN 29 -1.813 6.237 -7.355 211 HB3 ASN 29 2HB ASN 29 -1.695 7.920 -6.863 212 HD21 ASN 29 1HD2 ASN 29 -0.003 5.149 -7.725 213 HD22 ASN 29 2HD2 ASN 29 1.588 5.834 -7.555 214 H ILE 30 H ILE 30 -3.059 6.829 -3.347 215 HA ILE 30 HA ILE 30 -1.344 8.916 -2.275 216 HB ILE 30 HB ILE 30 -4.338 8.593 -1.998 217 HG12 ILE 30 1HG1 ILE 30 -2.743 10.762 -3.357 218 HG13 ILE 30 2HG1 ILE 30 -3.670 9.503 -4.194 219 HG21 ILE 30 1HG2 ILE 30 -2.516 10.706 -0.807 220 HG22 ILE 30 2HG2 ILE 30 -3.370 9.436 0.075 221 HG23 ILE 30 3HG2 ILE 30 -4.279 10.712 -0.719 222 HD11 ILE 30 3HD1 ILE 30 -4.736 11.676 -2.421 223 HD12 ILE 30 1HD1 ILE 30 -5.716 10.482 -3.272 224 HD13 ILE 30 2HD1 ILE 30 -4.782 11.668 -4.186 225 H CYS 31 H CYS 31 -0.228 7.709 -0.902 226 HA CYS 31 HA CYS 31 -1.184 5.599 0.608 227 HB2 CYS 31 1HB CYS 31 1.127 5.815 0.728 228 HB3 CYS 31 2HB CYS 31 1.180 7.509 1.145 229 H GLN 32 H GLN 32 -2.971 5.627 1.591 230 HA GLN 32 HA GLN 32 -4.261 7.880 2.669 231 HB2 GLN 32 1HB GLN 32 -5.830 6.263 3.670 232 HB3 GLN 32 2HB GLN 32 -5.578 5.913 1.965 233 HG2 GLN 32 1HG GLN 32 -4.078 4.140 2.548 234 HG3 GLN 32 2HG GLN 32 -4.354 4.471 4.273 235 HE21 GLN 32 1HE2 GLN 32 -5.839 3.446 1.274 236 HE22 GLN 32 2HE2 GLN 32 -7.187 2.691 2.028 237 H ASP 33 H ASP 33 -1.815 5.971 3.867 238 HA ASP 33 HA ASP 33 -2.343 6.689 6.613 239 HB2 ASP 33 1HB ASP 33 -1.230 4.508 5.792 240 HB3 ASP 33 2HB ASP 33 0.229 5.493 5.610 241 H CYS 34 H CYS 34 -0.805 8.223 3.836 242 HA CYS 34 HA CYS 34 0.844 9.931 5.333 243 HB2 CYS 34 1HB CYS 34 0.250 9.302 2.568 244 HB3 CYS 34 2HB CYS 34 0.652 10.975 2.897 245 H LYS 35 H LYS 35 -2.370 9.814 4.208 246 HA LYS 35 HA LYS 35 -2.686 12.641 3.889 247 HB2 LYS 35 1HB LYS 35 -4.989 12.249 3.815 248 HB3 LYS 35 2HB LYS 35 -4.166 11.059 2.777 249 HG2 LYS 35 1HG LYS 35 -4.458 9.465 4.689 250 HG3 LYS 35 2HG LYS 35 -5.463 10.703 5.462 251 HD2 LYS 35 1HD LYS 35 -5.894 9.381 2.837 252 HD3 LYS 35 2HD LYS 35 -6.816 9.096 4.334 253 HE2 LYS 35 1HE LYS 35 -7.533 11.489 4.251 254 HE3 LYS 35 2HE LYS 35 -6.697 11.649 2.710 255 HZ1 LYS 35 3HZ LYS 35 -9.105 10.034 3.301 256 HZ2 LYS 35 1HZ LYS 35 -8.199 9.838 1.878 257 HZ3 LYS 35 2HZ LYS 35 -8.900 11.312 2.206 258 H THR 36 H THR 36 -2.587 10.593 6.436 259 HA THR 36 HA THR 36 -4.099 12.254 8.215 260 HB THR 36 HB THR 36 -3.511 10.318 9.857 261 HG1 THR 36 HG1 THR 36 -2.120 8.976 8.950 262 HG21 THR 36 3HG2 THR 36 -5.206 9.822 7.415 263 HG22 THR 36 1HG2 THR 36 -5.725 10.664 8.876 264 HG23 THR 36 2HG2 THR 36 -5.324 8.944 8.941 265 H ASP 37 H ASP 37 -1.252 12.307 6.954 266 HA ASP 37 HA ASP 37 0.516 12.551 9.229 267 HB2 ASP 37 1HB ASP 37 0.900 12.990 6.297 268 HB3 ASP 37 2HB ASP 37 2.108 13.563 7.433 269 H ASN 38 H ASN 38 -1.833 14.478 8.412 270 HA ASN 38 HA ASN 38 -0.629 17.054 8.156 271 HB2 ASN 38 1HB ASN 38 -3.364 16.296 9.192 272 HB3 ASN 38 2HB ASN 38 -2.843 17.943 8.827 273 HD21 ASN 38 1HD2 ASN 38 -5.001 16.324 7.770 274 HD22 ASN 38 2HD2 ASN 38 -4.808 16.313 6.049 275 H LYS 39 H LYS 39 -0.431 18.686 9.754 276 HA LYS 39 HA LYS 39 0.110 19.613 11.695 277 HB2 LYS 39 1HB LYS 39 -1.147 17.226 13.019 278 HB3 LYS 39 2HB LYS 39 -0.668 18.740 13.799 279 HG2 LYS 39 1HG LYS 39 -2.355 19.947 12.676 280 HG3 LYS 39 2HG LYS 39 -2.668 18.563 11.605 281 HD2 LYS 39 1HD LYS 39 -3.423 17.263 13.364 282 HD3 LYS 39 2HD LYS 39 -3.016 18.481 14.578 283 HE2 LYS 39 1HE LYS 39 -5.425 18.522 14.159 284 HE3 LYS 39 2HE LYS 39 -4.690 20.002 13.549 285 HZ1 LYS 39 3HZ LYS 39 -4.754 19.047 11.313 286 HZ2 LYS 39 1HZ LYS 39 -6.290 19.108 11.992 287 HZ3 LYS 39 2HZ LYS 39 -5.487 17.649 11.912 288 H VAL 40 H VAL 40 0.643 16.142 11.887 289 HA VAL 40 HA VAL 40 3.077 16.456 13.335 290 HB VAL 40 HB VAL 40 3.427 14.005 12.771 291 HG11 VAL 40 1HG1 VAL 40 1.810 13.403 14.514 292 HG12 VAL 40 2HG1 VAL 40 0.925 14.901 14.139 293 HG13 VAL 40 3HG1 VAL 40 2.558 14.997 14.800 294 HG21 VAL 40 3HG2 VAL 40 0.562 14.277 11.876 295 HG22 VAL 40 1HG2 VAL 40 1.500 12.777 11.941 296 HG23 VAL 40 2HG2 VAL 40 1.922 14.084 10.798 297 H LYS 41 H LYS 41 4.212 17.705 12.320 298 HA LYS 41 HA LYS 41 5.804 18.640 10.960 299 HB2 LYS 41 1HB LYS 41 5.878 15.839 10.118 300 HB3 LYS 41 2HB LYS 41 6.879 17.096 9.345 301 HG2 LYS 41 1HG LYS 41 6.880 16.186 12.250 302 HG3 LYS 41 2HG LYS 41 8.115 15.760 11.064 303 HD2 LYS 41 1HD LYS 41 8.679 18.110 10.822 304 HD3 LYS 41 2HD LYS 41 7.457 18.524 12.032 305 HE2 LYS 41 1HE LYS 41 8.626 17.154 13.684 306 HE3 LYS 41 2HE LYS 41 9.857 16.765 12.487 307 HZ1 LYS 41 3HZ LYS 41 10.593 18.517 13.964 308 HZ2 LYS 41 1HZ LYS 41 9.264 19.476 13.552 309 HZ3 LYS 41 2HZ LYS 41 10.432 19.126 12.396 310 H ASP 42 H ASP 42 3.095 17.389 9.888 311 HA ASP 42 HA ASP 42 1.624 17.579 8.298 312 HB2 ASP 42 1HB ASP 42 3.361 19.835 7.913 313 HB3 ASP 42 2HB ASP 42 2.126 19.530 6.663 314 H LYS 43 H LYS 43 1.540 17.927 5.791 315 HA LYS 43 HA LYS 43 3.150 15.861 4.833 316 HB2 LYS 43 1HB LYS 43 1.134 17.532 3.336 317 HB3 LYS 43 2HB LYS 43 2.161 16.341 2.534 318 HG2 LYS 43 1HG LYS 43 0.547 15.577 4.913 319 HG3 LYS 43 2HG LYS 43 -0.211 15.734 3.318 320 HD2 LYS 43 1HD LYS 43 0.467 13.414 3.740 321 HD3 LYS 43 2HD LYS 43 1.328 14.204 2.405 322 HE2 LYS 43 1HE LYS 43 3.325 14.372 3.632 323 HE3 LYS 43 2HE LYS 43 2.519 13.983 5.171 324 HZ1 LYS 43 3HZ LYS 43 2.746 12.095 2.933 325 HZ2 LYS 43 1HZ LYS 43 2.431 11.775 4.573 326 HZ3 LYS 43 2HZ LYS 43 3.964 12.305 4.092 327 H ALA 44 H ALA 44 3.878 18.943 5.264 328 HA ALA 44 HA ALA 44 5.705 20.092 5.011 329 HB1 ALA 44 3HB ALA 44 7.815 18.854 4.720 330 HB2 ALA 44 1HB ALA 44 6.862 17.408 4.382 331 HB3 ALA 44 2HB ALA 44 6.753 18.185 5.963 332 H GLU 45 H GLU 45 5.200 21.361 3.623 333 HA GLU 45 HA GLU 45 4.744 21.224 0.927 334 HB2 GLU 45 1HB GLU 45 5.831 23.415 2.603 335 HB3 GLU 45 2HB GLU 45 5.337 23.692 0.915 336 HG2 GLU 45 1HG GLU 45 3.077 23.045 1.489 337 HG3 GLU 45 2HG GLU 45 3.583 22.608 3.116 338 H GLU 46 H GLU 46 7.946 21.259 2.369 339 HA GLU 46 HA GLU 46 8.985 21.245 -0.374 340 HB2 GLU 46 1HB GLU 46 11.121 22.126 0.499 341 HB3 GLU 46 2HB GLU 46 9.741 23.218 0.689 342 HG2 GLU 46 1HG GLU 46 9.627 22.768 3.011 343 HG3 GLU 46 2HG GLU 46 10.828 21.480 2.871 344 H GLU 47 H GLU 47 8.219 19.044 1.699 345 HA GLU 47 HA GLU 47 10.746 17.580 1.597 346 HB2 GLU 47 1HB GLU 47 9.695 17.682 3.772 347 HB3 GLU 47 2HB GLU 47 8.182 17.111 3.055 348 HG2 GLU 47 1HG GLU 47 9.187 14.978 2.580 349 HG3 GLU 47 2HG GLU 47 10.723 15.573 3.242 350 H THR 48 H THR 48 7.277 17.234 0.887 351 HA THR 48 HA THR 48 7.671 14.728 -0.393 352 HB THR 48 HB THR 48 5.158 15.105 -0.888 353 HG1 THR 48 HG1 THR 48 5.035 16.809 1.285 354 HG21 THR 48 3HG2 THR 48 6.211 14.908 1.941 355 HG22 THR 48 1HG2 THR 48 6.005 13.567 0.817 356 HG23 THR 48 2HG2 THR 48 4.594 14.435 1.427 357 H GLU 49 H GLU 49 9.098 16.796 -1.642 358 HA GLU 49 HA GLU 49 7.730 17.389 -4.129 359 HB2 GLU 49 1HB GLU 49 10.672 17.741 -3.540 360 HB3 GLU 49 2HB GLU 49 9.741 18.529 -4.819 361 HG2 GLU 49 1HG GLU 49 8.439 19.669 -3.004 362 HG3 GLU 49 2HG GLU 49 9.607 19.015 -1.863 363 H GLU 50 H GLU 50 9.157 15.010 -2.817 364 HA GLU 50 HA GLU 50 10.421 13.721 -5.108 365 HB2 GLU 50 1HB GLU 50 10.982 11.927 -3.475 366 HB3 GLU 50 2HB GLU 50 11.593 13.511 -3.026 367 HG2 GLU 50 1HG GLU 50 9.729 13.776 -1.451 368 HG3 GLU 50 2HG GLU 50 9.154 12.166 -1.884 369 H LYS 51 H LYS 51 9.804 11.296 -5.404 370 HA LYS 51 HA LYS 51 6.932 11.029 -5.148 371 HB2 LYS 51 1HB LYS 51 8.580 10.114 -7.511 372 HB3 LYS 51 2HB LYS 51 6.833 9.959 -7.320 373 HG2 LYS 51 1HG LYS 51 6.907 11.834 -8.686 374 HG3 LYS 51 2HG LYS 51 6.966 12.510 -7.042 375 HD2 LYS 51 1HD LYS 51 8.572 13.660 -8.449 376 HD3 LYS 51 2HD LYS 51 9.373 12.747 -7.171 377 HE2 LYS 51 1HE LYS 51 10.577 12.494 -9.244 378 HE3 LYS 51 2HE LYS 51 9.856 10.954 -8.807 379 HZ1 LYS 51 3HZ LYS 51 9.615 11.463 -11.148 380 HZ2 LYS 51 1HZ LYS 51 8.764 12.870 -10.797 381 HZ3 LYS 51 2HZ LYS 51 8.095 11.365 -10.432 382 HA PRO 52 HA PRO 52 8.783 7.350 -3.198 383 HB2 PRO 52 1HB PRO 52 6.989 7.191 -1.182 384 HB3 PRO 52 2HB PRO 52 8.264 8.440 -1.213 385 HG2 PRO 52 1HG PRO 52 5.403 8.669 -2.054 386 HG3 PRO 52 2HG PRO 52 6.310 9.684 -0.914 387 HD2 PRO 52 1HD PRO 52 6.001 10.385 -3.498 388 HD3 PRO 52 2HD PRO 52 7.484 10.725 -2.559 389 H SER 53 H SER 53 7.970 5.178 -3.104 390 HA SER 53 HA SER 53 6.030 4.669 -5.074 391 HG SER 53 HG SER 53 8.972 2.763 -3.366 392 HB2 SER 53 1HB SER 53 6.622 2.284 -4.350 393 HB3 SER 53 2HB SER 53 7.908 3.255 -5.093 394 H VAL 54 H VAL 54 4.124 3.756 -4.777 395 HA VAL 54 HA VAL 54 3.064 3.863 -2.018 396 HB VAL 54 HB VAL 54 1.417 4.568 -4.509 397 HG11 VAL 54 1HG1 VAL 54 0.629 4.727 -1.614 398 HG12 VAL 54 2HG1 VAL 54 0.201 3.407 -2.694 399 HG13 VAL 54 3HG1 VAL 54 -0.372 5.041 -3.047 400 HG21 VAL 54 3HG2 VAL 54 1.385 6.798 -3.579 401 HG22 VAL 54 1HG2 VAL 54 3.053 6.300 -3.894 402 HG23 VAL 54 2HG2 VAL 54 2.444 6.287 -2.251 403 H TRP 55 H TRP 55 2.643 2.148 -1.323 404 HA TRP 55 HA TRP 55 2.063 -0.113 -3.081 405 HD1 TRP 55 HD1 TRP 55 5.127 1.617 -1.107 406 HE1 TRP 55 HE1 TRP 55 7.303 1.210 -2.393 407 HE3 TRP 55 HE3 TRP 55 4.052 -2.966 -3.076 408 HZ2 TRP 55 HZ2 TRP 55 8.441 -0.806 -3.996 409 HZ3 TRP 55 HZ3 TRP 55 5.744 -4.073 -4.469 410 HH2 TRP 55 HH2 TRP 55 7.891 -3.014 -4.919 411 HB2 TRP 55 1HB TRP 55 3.203 -0.143 -0.276 412 HB3 TRP 55 2HB TRP 55 2.958 -1.549 -1.322 413 H LEU 56 H LEU 56 0.319 -1.041 -2.961 414 HA LEU 56 HA LEU 56 -1.651 -0.284 -0.924 415 HG LEU 56 HG LEU 56 -3.712 -1.886 -1.411 416 HB2 LEU 56 1HB LEU 56 -2.450 0.077 -3.135 417 HB3 LEU 56 2HB LEU 56 -2.113 -1.594 -3.594 418 HD11 LEU 56 1HD1 LEU 56 -5.668 -0.500 -1.756 419 HD12 LEU 56 2HD1 LEU 56 -4.754 0.469 -2.910 420 HD13 LEU 56 3HD1 LEU 56 -4.249 0.393 -1.220 421 HD21 LEU 56 3HD2 LEU 56 -5.461 -2.485 -3.025 422 HD22 LEU 56 1HD2 LEU 56 -3.859 -3.180 -3.340 423 HD23 LEU 56 2HD2 LEU 56 -4.407 -1.787 -4.286 424 H CYS 57 H CYS 57 -2.112 -1.672 0.578 425 HA CYS 57 HA CYS 57 -1.129 -4.332 0.853 426 HB2 CYS 57 1HB CYS 57 -1.808 -2.633 2.616 427 HB3 CYS 57 2HB CYS 57 -3.470 -3.034 2.215 428 H LEU 58 H LEU 58 -1.797 -5.994 -0.482 429 HA LEU 58 HA LEU 58 -4.274 -6.066 -1.878 430 HG LEU 58 HG LEU 58 -2.001 -5.859 -3.054 431 HB2 LEU 58 1HB LEU 58 -1.979 -7.898 -1.307 432 HB3 LEU 58 2HB LEU 58 -3.351 -8.399 -2.282 433 HD11 LEU 58 1HD1 LEU 58 -0.972 -8.609 -3.749 434 HD12 LEU 58 2HD1 LEU 58 -0.174 -7.447 -2.665 435 HD13 LEU 58 3HD1 LEU 58 -0.428 -7.035 -4.364 436 HD21 LEU 58 3HD2 LEU 58 -2.597 -6.751 -5.250 437 HD22 LEU 58 1HD2 LEU 58 -3.999 -6.612 -4.166 438 HD23 LEU 58 2HD2 LEU 58 -3.232 -8.181 -4.435 439 H LYS 59 H LYS 59 -3.455 -6.516 1.078 440 HA LYS 59 HA LYS 59 -5.313 -8.592 1.750 441 HB2 LYS 59 1HB LYS 59 -3.260 -8.673 2.846 442 HB3 LYS 59 2HB LYS 59 -3.353 -7.006 3.407 443 HG2 LYS 59 1HG LYS 59 -3.891 -8.319 5.245 444 HG3 LYS 59 2HG LYS 59 -5.372 -7.645 4.514 445 HD2 LYS 59 1HD LYS 59 -6.028 -9.654 3.603 446 HD3 LYS 59 2HD LYS 59 -4.459 -10.427 3.745 447 HE2 LYS 59 1HE LYS 59 -4.800 -10.157 6.247 448 HE3 LYS 59 2HE LYS 59 -6.508 -9.807 5.796 449 HZ1 LYS 59 3HZ LYS 59 -5.026 -12.270 5.098 450 HZ2 LYS 59 1HZ LYS 59 -6.630 -11.916 4.717 451 HZ3 LYS 59 2HZ LYS 59 -6.189 -12.169 6.330 452 H CYS 60 H CYS 60 -4.995 -5.101 2.294 453 HA CYS 60 HA CYS 60 -7.860 -5.118 3.091 454 HB2 CYS 60 1HB CYS 60 -7.556 -3.835 5.026 455 HB3 CYS 60 2HB CYS 60 -6.348 -5.142 5.022 456 H GLY 61 H GLY 61 -5.909 -3.787 0.938 457 HA2 GLY 61 1HA GLY 61 -6.327 -2.087 -0.536 458 HA3 GLY 61 2HA GLY 61 -7.844 -1.774 0.316 459 H HIS 62 H HIS 62 -5.038 -1.762 2.108 460 HA HIS 62 HA HIS 62 -5.058 1.120 2.669 461 HD1 HIS 62 HD1 HIS 62 -2.913 1.874 5.596 462 HD2 HIS 62 HD2 HIS 62 -0.961 -0.752 3.031 463 HE1 HIS 62 HE1 HIS 62 -0.389 2.344 5.767 464 HB2 HIS 62 1HB HIS 62 -4.464 0.049 4.622 465 HB3 HIS 62 2HB HIS 62 -3.683 -1.287 3.775 466 H GLN 63 H GLN 63 -3.965 2.589 1.716 467 HA GLN 63 HA GLN 63 -1.657 1.708 0.210 468 HB2 GLN 63 1HB GLN 63 -3.014 4.371 0.027 469 HB3 GLN 63 2HB GLN 63 -1.460 4.021 -0.718 470 HG2 GLN 63 1HG GLN 63 -2.681 3.576 -2.423 471 HG3 GLN 63 2HG GLN 63 -2.840 2.002 -1.658 472 HE21 GLN 63 1HE2 GLN 63 -4.711 3.299 -3.418 473 HE22 GLN 63 2HE2 GLN 63 -6.202 3.430 -2.529 474 H GLY 64 H GLY 64 0.082 1.938 0.824 475 HA2 GLY 64 1HA GLY 64 0.839 4.021 2.670 476 HA3 GLY 64 2HA GLY 64 1.296 2.332 2.992 477 H CYS 65 H CYS 65 2.778 4.677 2.542 478 HA CYS 65 HA CYS 65 3.954 4.372 -0.043 479 HB2 CYS 65 1HB CYS 65 5.321 6.358 0.664 480 HB3 CYS 65 2HB CYS 65 3.587 6.560 0.854 481 H GLY 66 H GLY 66 5.900 3.441 -0.411 482 HA2 GLY 66 1HA GLY 66 6.664 1.455 1.532 483 HA3 GLY 66 2HA GLY 66 7.304 1.624 -0.104 484 H ARG 67 H ARG 67 9.308 1.125 0.743 485 HA ARG 67 HA ARG 67 10.541 2.594 2.803 486 HE ARG 67 HE ARG 67 14.212 0.161 1.514 487 HB2 ARG 67 1HB ARG 67 12.622 1.411 2.168 488 HB3 ARG 67 2HB ARG 67 11.255 0.339 2.415 489 HG2 ARG 67 1HG ARG 67 10.947 0.351 -0.022 490 HG3 ARG 67 2HG ARG 67 12.500 1.215 -0.137 491 HD2 ARG 67 1HD ARG 67 12.026 -1.543 1.033 492 HD3 ARG 67 2HD ARG 67 12.844 -1.192 -0.486 493 HH11 ARG 67 1HH1 ARG 67 13.571 -3.235 0.632 494 HH12 ARG 67 2HH1 ARG 67 14.978 -3.821 1.369 495 HH21 ARG 67 1HH2 ARG 67 16.131 -0.675 2.510 496 HH22 ARG 67 2HH2 ARG 67 16.485 -2.330 2.452 497 H ASN 68 H ASN 68 9.849 3.583 -0.168 498 HA ASN 68 HA ASN 68 12.154 5.263 -0.708 499 HB2 ASN 68 1HB ASN 68 9.462 4.932 -1.993 500 HB3 ASN 68 2HB ASN 68 10.647 6.130 -2.536 501 HD21 ASN 68 1HD2 ASN 68 12.295 5.478 -3.803 502 HD22 ASN 68 2HD2 ASN 68 12.453 3.848 -4.364 503 H SER 69 H SER 69 10.037 5.526 1.702 504 HA SER 69 HA SER 69 9.769 8.383 1.306 505 HG SER 69 HG SER 69 7.886 5.456 2.330 506 HB2 SER 69 1HB SER 69 7.711 8.261 2.650 507 HB3 SER 69 2HB SER 69 7.581 7.319 1.153 508 H GLN 70 H GLN 70 9.628 9.459 3.682 509 HA GLN 70 HA GLN 70 11.701 8.279 5.246 510 HB2 GLN 70 1HB GLN 70 11.761 10.254 6.491 511 HB3 GLN 70 2HB GLN 70 11.421 10.746 4.830 512 HG2 GLN 70 1HG GLN 70 9.486 10.664 7.146 513 HG3 GLN 70 2HG GLN 70 10.203 12.099 6.436 514 HE21 GLN 70 1HE2 GLN 70 7.488 11.503 6.844 515 HE22 GLN 70 2HE2 GLN 70 6.720 11.557 5.285 516 H GLU 71 H GLU 71 8.352 8.294 5.303 517 HA GLU 71 HA GLU 71 8.198 7.396 8.072 518 HB2 GLU 71 1HB GLU 71 6.176 8.010 5.993 519 HB3 GLU 71 2HB GLU 71 5.734 7.014 7.385 520 HG2 GLU 71 1HG GLU 71 6.861 9.788 7.453 521 HG3 GLU 71 2HG GLU 71 5.182 9.292 7.777 522 H GLN 72 H GLN 72 7.929 6.065 4.863 523 HA GLN 72 HA GLN 72 7.556 4.007 4.054 524 HB2 GLN 72 1HB GLN 72 9.021 3.040 6.519 525 HB3 GLN 72 2HB GLN 72 8.925 2.258 4.931 526 HG2 GLN 72 1HG GLN 72 10.159 4.339 4.041 527 HG3 GLN 72 2HG GLN 72 10.439 4.698 5.750 528 HE21 GLN 72 1HE2 GLN 72 10.466 1.471 4.525 529 HE22 GLN 72 2HE2 GLN 72 12.185 1.418 4.769 530 H HIS 73 H HIS 73 5.272 4.807 5.032 531 HA HIS 73 HA HIS 73 4.203 3.695 7.254 532 HD2 HIS 73 HD2 HIS 73 3.342 5.629 8.612 533 HE1 HIS 73 HE1 HIS 73 2.602 9.095 6.276 534 HE2 HIS 73 HE2 HIS 73 3.006 8.211 8.680 535 HB2 HIS 73 1HB HIS 73 3.147 4.815 4.719 536 HB3 HIS 73 2HB HIS 73 2.086 4.151 5.952 537 H ALA 74 H ALA 74 4.444 2.418 3.998 538 HA ALA 74 HA ALA 74 2.673 0.128 4.323 539 HB1 ALA 74 3HB ALA 74 5.088 0.415 2.537 540 HB2 ALA 74 1HB ALA 74 3.474 0.983 2.107 541 HB3 ALA 74 2HB ALA 74 3.766 -0.738 2.361 542 H LEU 75 H LEU 75 5.994 0.706 5.157 543 HA LEU 75 HA LEU 75 6.301 -2.039 5.777 544 HG LEU 75 HG LEU 75 8.382 -2.569 5.009 545 HB2 LEU 75 1HB LEU 75 8.096 0.276 5.880 546 HB3 LEU 75 2HB LEU 75 8.428 -1.052 6.999 547 HD11 LEU 75 1HD1 LEU 75 7.226 -1.148 3.433 548 HD12 LEU 75 2HD1 LEU 75 8.781 -1.699 2.838 549 HD13 LEU 75 3HD1 LEU 75 8.602 -0.030 3.410 550 HD21 LEU 75 3HD2 LEU 75 10.283 -1.910 6.158 551 HD22 LEU 75 1HD2 LEU 75 10.452 -0.442 5.187 552 HD23 LEU 75 2HD2 LEU 75 10.648 -2.049 4.420 553 H LYS 76 H LYS 76 5.970 1.042 7.741 554 HA LYS 76 HA LYS 76 5.829 -0.057 10.186 555 HB2 LYS 76 1HB LYS 76 4.013 2.058 9.008 556 HB3 LYS 76 2HB LYS 76 4.336 1.801 10.729 557 HG2 LYS 76 1HG LYS 76 6.617 2.474 10.454 558 HG3 LYS 76 2HG LYS 76 6.420 2.565 8.695 559 HD2 LYS 76 1HD LYS 76 6.322 4.770 9.458 560 HD3 LYS 76 2HD LYS 76 4.655 4.298 9.121 561 HE2 LYS 76 1HE LYS 76 4.335 3.845 11.537 562 HE3 LYS 76 2HE LYS 76 5.970 4.459 11.830 563 HZ1 LYS 76 3HZ LYS 76 4.385 6.225 12.251 564 HZ2 LYS 76 1HZ LYS 76 3.672 6.018 10.754 565 HZ3 LYS 76 2HZ LYS 76 5.217 6.638 10.844 566 H HIS 77 H HIS 77 3.497 -0.207 7.569 567 HA HIS 77 HA HIS 77 1.362 -1.206 9.159 568 HD1 HIS 77 HD1 HIS 77 -1.353 -0.143 7.993 569 HD2 HIS 77 HD2 HIS 77 -0.102 -3.407 5.719 570 HE1 HIS 77 HE1 HIS 77 -3.412 -1.359 7.354 571 HB2 HIS 77 1HB HIS 77 1.072 0.059 7.083 572 HB3 HIS 77 2HB HIS 77 1.735 -1.296 6.157 573 H TYR 78 H TYR 78 3.966 -2.643 7.243 574 HA TYR 78 HA TYR 78 2.962 -5.289 7.690 575 HD1 TYR 78 HD2 TYR 78 3.583 -7.380 6.774 576 HD2 TYR 78 HD1 TYR 78 7.459 -5.759 7.467 577 HE1 TYR 78 HE2 TYR 78 4.465 -9.643 7.141 578 HE2 TYR 78 HE1 TYR 78 8.339 -8.027 7.837 579 HH TYR 78 HH TYR 78 7.607 -10.201 8.384 580 HB2 TYR 78 1HB TYR 78 4.452 -4.931 5.913 581 HB3 TYR 78 2HB TYR 78 5.710 -4.286 6.981 582 H LEU 79 H LEU 79 5.150 -3.086 9.502 583 HA LEU 79 HA LEU 79 5.941 -5.124 11.260 584 HG LEU 79 HG LEU 79 7.354 -3.035 9.325 585 HB2 LEU 79 1HB LEU 79 6.264 -2.133 11.293 586 HB3 LEU 79 2HB LEU 79 7.120 -3.291 12.316 587 HD11 LEU 79 1HD1 LEU 79 8.466 -1.238 10.483 588 HD12 LEU 79 2HD1 LEU 79 9.633 -2.338 9.750 589 HD13 LEU 79 3HD1 LEU 79 9.333 -2.401 11.487 590 HD21 LEU 79 3HD2 LEU 79 9.096 -4.742 9.499 591 HD22 LEU 79 1HD2 LEU 79 7.501 -5.308 10.008 592 HD23 LEU 79 2HD2 LEU 79 8.722 -4.918 11.226 593 H THR 80 H THR 80 3.213 -3.482 10.826 594 HA THR 80 HA THR 80 2.504 -2.911 13.524 595 HB THR 80 HB THR 80 0.723 -3.485 11.136 596 HG1 THR 80 HG1 THR 80 2.170 -1.536 11.309 597 HG21 THR 80 3HG2 THR 80 -1.092 -2.462 12.453 598 HG22 THR 80 1HG2 THR 80 0.007 -2.348 13.832 599 HG23 THR 80 2HG2 THR 80 -0.475 -3.932 13.208 600 HA PRO 81 HA PRO 81 2.041 -7.289 14.494 601 HB2 PRO 81 1HB PRO 81 1.267 -7.100 17.042 602 HB3 PRO 81 2HB PRO 81 2.942 -6.796 16.533 603 HG2 PRO 81 1HG PRO 81 0.764 -4.868 17.153 604 HG3 PRO 81 2HG PRO 81 2.499 -4.874 17.584 605 HD2 PRO 81 1HD PRO 81 1.438 -3.396 15.506 606 HD3 PRO 81 2HD PRO 81 3.128 -3.963 15.567 607 H ARG 82 H ARG 82 0.555 -8.397 14.026 608 HA ARG 82 HA ARG 82 -2.185 -8.171 14.841 609 HE ARG 82 HE ARG 82 -3.453 -5.732 11.407 610 HB2 ARG 82 1HB ARG 82 -2.961 -8.254 12.337 611 HB3 ARG 82 2HB ARG 82 -2.595 -6.702 13.102 612 HG2 ARG 82 1HG ARG 82 -0.429 -6.673 12.050 613 HG3 ARG 82 2HG ARG 82 -0.727 -8.259 11.326 614 HD2 ARG 82 1HD ARG 82 -1.064 -6.310 9.800 615 HD3 ARG 82 2HD ARG 82 -2.467 -7.376 9.970 616 HH11 ARG 82 1HH1 ARG 82 -0.654 -4.501 9.524 617 HH12 ARG 82 2HH1 ARG 82 -1.221 -2.897 9.564 618 HH21 ARG 82 1HH2 ARG 82 -4.165 -3.479 11.382 619 HH22 ARG 82 2HH2 ARG 82 -3.247 -2.322 10.586 620 H SER 83 H SER 83 -3.551 -9.979 13.875 621 HA SER 83 HA SER 83 -2.010 -12.361 14.190 622 HG SER 83 HG SER 83 -5.938 -12.198 13.629 623 HB2 SER 83 1HB SER 83 -4.323 -13.414 14.060 624 HB3 SER 83 2HB SER 83 -4.040 -12.286 15.390 625 H GLU 84 H GLU 84 -3.439 -10.631 11.524 626 HA GLU 84 HA GLU 84 -2.736 -12.888 9.778 627 HB2 GLU 84 1HB GLU 84 -4.687 -10.671 9.338 628 HB3 GLU 84 2HB GLU 84 -4.181 -11.843 8.118 629 HG2 GLU 84 1HG GLU 84 -5.045 -13.655 9.536 630 HG3 GLU 84 2HG GLU 84 -5.654 -12.441 10.661 631 HA PRO 85 HA PRO 85 0.304 -10.491 8.187 632 HB2 PRO 85 1HB PRO 85 0.943 -11.761 5.979 633 HB3 PRO 85 2HB PRO 85 1.145 -12.524 7.575 634 HG2 PRO 85 1HG PRO 85 -1.032 -12.850 5.567 635 HG3 PRO 85 2HG PRO 85 -0.147 -14.095 6.475 636 HD2 PRO 85 1HD PRO 85 -2.625 -13.073 7.204 637 HD3 PRO 85 2HD PRO 85 -1.474 -13.776 8.368 638 H HIS 86 H HIS 86 -0.431 -8.704 7.708 639 HA HIS 86 HA HIS 86 -1.718 -8.128 5.142 640 HD2 HIS 86 HD2 HIS 86 -3.133 -8.528 8.163 641 HE1 HIS 86 HE1 HIS 86 -5.912 -5.552 7.025 642 HE2 HIS 86 HE2 HIS 86 -5.609 -7.739 8.277 643 HB2 HIS 86 1HB HIS 86 -0.914 -6.425 7.496 644 HB3 HIS 86 2HB HIS 86 -1.399 -5.700 5.954 645 H CYS 87 H CYS 87 0.410 -9.408 4.620 646 HA CYS 87 HA CYS 87 2.680 -7.656 4.682 647 HG CYS 87 HG CYS 87 2.451 -12.095 5.165 648 HB2 CYS 87 1HB CYS 87 3.982 -9.691 4.005 649 HB3 CYS 87 2HB CYS 87 3.211 -9.641 5.593 650 H LEU 88 H LEU 88 0.355 -8.041 2.589 651 HA LEU 88 HA LEU 88 1.991 -8.230 0.137 652 HG LEU 88 HG LEU 88 0.469 -10.824 1.312 653 HB2 LEU 88 1HB LEU 88 -0.758 -9.171 0.750 654 HB3 LEU 88 2HB LEU 88 -0.242 -9.082 -0.906 655 HD11 LEU 88 1HD1 LEU 88 0.404 -12.565 -0.360 656 HD12 LEU 88 2HD1 LEU 88 0.184 -11.348 -1.609 657 HD13 LEU 88 3HD1 LEU 88 -1.125 -11.638 -0.405 658 HD21 LEU 88 3HD2 LEU 88 2.603 -10.106 0.739 659 HD22 LEU 88 1HD2 LEU 88 2.284 -10.336 -0.980 660 HD23 LEU 88 2HD2 LEU 88 2.408 -11.739 0.091 661 H VAL 89 H VAL 89 2.355 -6.713 -0.796 662 HA VAL 89 HA VAL 89 0.206 -4.763 -1.018 663 HB VAL 89 HB VAL 89 1.806 -2.927 -0.894 664 HG11 VAL 89 1HG1 VAL 89 2.354 -2.986 1.510 665 HG12 VAL 89 2HG1 VAL 89 1.856 -4.680 1.541 666 HG13 VAL 89 3HG1 VAL 89 0.679 -3.414 1.160 667 HG21 VAL 89 3HG2 VAL 89 3.827 -4.990 -0.076 668 HG22 VAL 89 1HG2 VAL 89 4.100 -3.239 -0.152 669 HG23 VAL 89 2HG2 VAL 89 3.739 -4.163 -1.629 670 H LEU 90 H LEU 90 0.053 -3.928 -3.021 671 HA LEU 90 HA LEU 90 2.054 -4.823 -4.938 672 HG LEU 90 HG LEU 90 -1.096 -2.972 -4.833 673 HB2 LEU 90 1HB LEU 90 0.422 -4.670 -6.659 674 HB3 LEU 90 2HB LEU 90 -0.394 -5.425 -5.300 675 HD11 LEU 90 1HD1 LEU 90 0.130 -1.982 -6.628 676 HD12 LEU 90 2HD1 LEU 90 -1.609 -1.798 -6.967 677 HD13 LEU 90 3HD1 LEU 90 -0.651 -3.062 -7.773 678 HD21 LEU 90 3HD2 LEU 90 -3.168 -3.360 -6.141 679 HD22 LEU 90 1HD2 LEU 90 -2.683 -4.737 -5.149 680 HD23 LEU 90 2HD2 LEU 90 -2.378 -4.745 -6.891 681 H SER 91 H SER 91 2.822 -3.221 -6.496 682 HA SER 91 HA SER 91 3.029 -0.675 -5.182 683 HG SER 91 HG SER 91 5.617 -1.860 -8.018 684 HB2 SER 91 1HB SER 91 5.052 -0.394 -6.421 685 HB3 SER 91 2HB SER 91 4.947 -2.108 -5.991 686 H LEU 92 H LEU 92 2.230 1.143 -5.973 687 HA LEU 92 HA LEU 92 0.569 1.060 -8.339 688 HG LEU 92 HG LEU 92 -0.472 1.147 -5.655 689 HB2 LEU 92 1HB LEU 92 1.088 3.071 -6.168 690 HB3 LEU 92 2HB LEU 92 0.067 3.436 -7.558 691 HD11 LEU 92 1HD1 LEU 92 -1.789 3.837 -5.755 692 HD12 LEU 92 2HD1 LEU 92 -0.602 3.351 -4.541 693 HD13 LEU 92 3HD1 LEU 92 -2.150 2.505 -4.654 694 HD21 LEU 92 3HD2 LEU 92 -1.417 0.968 -7.917 695 HD22 LEU 92 1HD2 LEU 92 -2.100 2.580 -7.679 696 HD23 LEU 92 2HD2 LEU 92 -2.663 1.227 -6.679 697 H ASP 93 H ASP 93 3.546 1.011 -8.223 698 HA ASP 93 HA ASP 93 4.157 3.359 -9.894 699 HB2 ASP 93 1HB ASP 93 5.945 1.785 -8.041 700 HB3 ASP 93 2HB ASP 93 6.566 2.928 -9.242 701 H ASN 94 H ASN 94 5.140 -0.015 -9.384 702 HA ASN 94 HA ASN 94 5.769 -0.143 -12.266 703 HB2 ASN 94 1HB ASN 94 7.644 -0.582 -10.634 704 HB3 ASN 94 2HB ASN 94 6.735 -2.000 -10.090 705 HD21 ASN 94 1HD2 ASN 94 8.126 -3.529 -10.752 706 HD22 ASN 94 2HD2 ASN 94 8.538 -3.816 -12.422 707 H TRP 95 H TRP 95 3.601 -1.011 -9.947 708 HA TRP 95 HA TRP 95 2.035 -2.501 -9.621 709 HD1 TRP 95 HD1 TRP 95 2.028 -0.500 -13.421 710 HE1 TRP 95 HE1 TRP 95 0.216 1.294 -13.171 711 HE3 TRP 95 HE3 TRP 95 -0.884 -2.747 -9.874 712 HZ2 TRP 95 HZ2 TRP 95 -2.126 1.726 -11.686 713 HZ3 TRP 95 HZ3 TRP 95 -2.897 -1.571 -9.092 714 HH2 TRP 95 HH2 TRP 95 -3.504 0.618 -9.976 715 HB2 TRP 95 1HB TRP 95 2.241 -2.980 -12.611 716 HB3 TRP 95 2HB TRP 95 0.960 -3.626 -11.589 717 H SER 96 H SER 96 4.070 -3.349 -8.545 718 HA SER 96 HA SER 96 4.433 -6.124 -9.432 719 HG SER 96 HG SER 96 7.598 -5.064 -9.350 720 HB2 SER 96 1HB SER 96 6.071 -4.580 -7.441 721 HB3 SER 96 2HB SER 96 6.401 -6.161 -8.127 722 H VAL 97 H VAL 97 4.699 -7.543 -7.486 723 HA VAL 97 HA VAL 97 3.033 -6.569 -5.303 724 HB VAL 97 HB VAL 97 3.306 -9.344 -6.487 725 HG11 VAL 97 1HG1 VAL 97 2.193 -8.580 -3.819 726 HG12 VAL 97 2HG1 VAL 97 3.691 -9.497 -4.112 727 HG13 VAL 97 3HG1 VAL 97 2.108 -10.182 -4.590 728 HG21 VAL 97 3HG2 VAL 97 1.012 -9.356 -6.415 729 HG22 VAL 97 1HG2 VAL 97 1.497 -7.872 -7.237 730 HG23 VAL 97 2HG2 VAL 97 0.930 -7.804 -5.555 731 H TRP 98 H TRP 98 3.864 -6.777 -3.309 732 HA TRP 98 HA TRP 98 6.536 -7.904 -3.160 733 HD1 TRP 98 HD1 TRP 98 7.153 -6.480 0.588 734 HE1 TRP 98 HE1 TRP 98 9.670 -7.006 0.827 735 HE3 TRP 98 HE3 TRP 98 8.532 -6.044 -4.305 736 HZ2 TRP 98 HZ2 TRP 98 11.866 -7.206 -0.817 737 HZ3 TRP 98 HZ3 TRP 98 10.859 -6.408 -4.913 738 HH2 TRP 98 HH2 TRP 98 12.530 -6.969 -3.215 739 HB2 TRP 98 1HB TRP 98 6.455 -5.282 -2.939 740 HB3 TRP 98 2HB TRP 98 5.673 -5.633 -1.393 741 H CYS 99 H CYS 99 6.794 -9.383 -1.576 742 HA CYS 99 HA CYS 99 4.599 -9.463 0.313 743 HB2 CYS 99 1HB CYS 99 4.360 -11.394 -1.028 744 HB3 CYS 99 2HB CYS 99 6.071 -11.805 -0.995 745 H TYR 100 H TYR 100 5.296 -8.878 2.130 746 HA TYR 100 HA TYR 100 8.064 -8.346 2.525 747 HD1 TYR 100 HD2 TYR 100 8.240 -5.731 3.386 748 HD2 TYR 100 HD1 TYR 100 4.229 -7.076 3.723 749 HE1 TYR 100 HE2 TYR 100 7.472 -3.548 2.662 750 HE2 TYR 100 HE1 TYR 100 3.434 -4.848 2.988 751 HH TYR 100 HH TYR 100 4.217 -2.607 2.920 752 HB2 TYR 100 1HB TYR 100 5.852 -8.392 4.544 753 HB3 TYR 100 2HB TYR 100 7.483 -7.785 4.814 754 H VAL 101 H VAL 101 6.034 -10.997 3.389 755 HA VAL 101 HA VAL 101 7.993 -12.064 5.230 756 HB VAL 101 HB VAL 101 5.617 -12.233 5.794 757 HG11 VAL 101 1HG1 VAL 101 5.477 -14.003 3.425 758 HG12 VAL 101 2HG1 VAL 101 4.841 -12.395 3.561 759 HG13 VAL 101 3HG1 VAL 101 4.130 -13.710 4.551 760 HG21 VAL 101 3HG2 VAL 101 5.514 -14.610 6.429 761 HG22 VAL 101 1HG2 VAL 101 7.106 -13.915 6.753 762 HG23 VAL 101 2HG2 VAL 101 6.862 -14.947 5.342 763 H CYS 102 H CYS 102 7.341 -12.294 1.877 764 HA CYS 102 HA CYS 102 8.915 -14.742 1.583 765 HB2 CYS 102 1HB CYS 102 7.520 -12.849 -0.275 766 HB3 CYS 102 2HB CYS 102 8.862 -13.805 -0.896 767 H ASP 103 H ASP 103 8.908 -11.378 1.528 768 HA ASP 103 HA ASP 103 10.253 -9.706 1.261 769 HB2 ASP 103 1HB ASP 103 11.338 -10.723 3.233 770 HB3 ASP 103 2HB ASP 103 12.486 -11.540 2.159 771 H ASN 104 H ASN 104 9.558 -10.459 -1.046 772 HA ASN 104 HA ASN 104 11.709 -9.682 -2.611 773 HB2 ASN 104 1HB ASN 104 11.729 -11.583 -4.070 774 HB3 ASN 104 2HB ASN 104 11.984 -12.110 -2.384 775 HD21 ASN 104 1HD2 ASN 104 9.737 -11.887 -4.919 776 HD22 ASN 104 2HD2 ASN 104 8.512 -12.879 -4.281 777 H GLU 105 H GLU 105 10.668 -9.874 -4.980 778 HA GLU 105 HA GLU 105 8.121 -8.574 -4.983 779 HB2 GLU 105 1HB GLU 105 10.045 -7.915 -6.181 780 HB3 GLU 105 2HB GLU 105 9.954 -9.353 -7.192 781 HG2 GLU 105 1HG GLU 105 7.829 -8.787 -8.022 782 HG3 GLU 105 2HG GLU 105 7.728 -7.397 -6.934 783 H VAL 106 H VAL 106 6.288 -9.690 -5.699 784 HA VAL 106 HA VAL 106 6.612 -12.544 -6.314 785 HB VAL 106 HB VAL 106 4.003 -11.159 -5.573 786 HG11 VAL 106 1HG1 VAL 106 4.807 -14.076 -5.605 787 HG12 VAL 106 2HG1 VAL 106 3.758 -13.288 -6.781 788 HG13 VAL 106 3HG1 VAL 106 3.242 -13.438 -5.100 789 HG21 VAL 106 3HG2 VAL 106 5.956 -12.691 -3.869 790 HG22 VAL 106 1HG2 VAL 106 4.378 -12.105 -3.331 791 HG23 VAL 106 2HG2 VAL 106 5.651 -10.961 -3.783 792 H GLN 107 H GLN 107 5.669 -13.530 -8.053 793 HA GLN 107 HA GLN 107 4.992 -11.816 -10.262 794 HB2 GLN 107 1HB GLN 107 5.977 -14.658 -10.495 795 HB3 GLN 107 2HB GLN 107 5.973 -13.392 -11.724 796 HG2 GLN 107 1HG GLN 107 8.215 -13.609 -11.205 797 HG3 GLN 107 2HG GLN 107 7.725 -12.261 -10.176 798 HE21 GLN 107 1HE2 GLN 107 9.241 -12.593 -8.588 799 HE22 GLN 107 2HE2 GLN 107 9.267 -14.003 -7.582 800 H TYR 108 H TYR 108 3.160 -12.170 -10.960 801 HA TYR 108 HA TYR 108 1.492 -14.474 -10.149 802 HD1 TYR 108 HD2 TYR 108 -0.534 -10.993 -11.518 803 HD2 TYR 108 HD1 TYR 108 2.271 -10.953 -8.357 804 HE1 TYR 108 HE2 TYR 108 -0.164 -8.598 -11.896 805 HE2 TYR 108 HE1 TYR 108 2.666 -8.636 -8.650 806 HH TYR 108 HH TYR 108 2.400 -6.892 -10.637 807 HB2 TYR 108 1HB TYR 108 -0.399 -12.816 -9.898 808 HB3 TYR 108 2HB TYR 108 0.849 -12.801 -8.641 809 H CYS 109 H CYS 109 -0.627 -14.436 -11.379 810 HA CYS 109 HA CYS 109 -0.444 -13.393 -14.049 811 HG CYS 109 HG CYS 109 0.722 -17.084 -12.348 812 HB2 CYS 109 1HB CYS 109 -0.870 -15.738 -14.931 813 HB3 CYS 109 2HB CYS 109 0.762 -15.451 -14.309 814 H SER 110 H SER 110 -2.614 -13.921 -15.146 815 HA SER 110 HA SER 110 -4.696 -13.313 -13.341 816 HG SER 110 HG SER 110 -4.799 -11.949 -16.631 817 HB2 SER 110 1HB SER 110 -4.836 -14.130 -16.248 818 HB3 SER 110 2HB SER 110 -6.140 -13.367 -15.331 819 H SER 111 H SER 111 -3.370 -16.279 -14.316 820 HA SER 111 HA SER 111 -5.704 -17.839 -13.684 821 HG SER 111 HG SER 111 -3.374 -18.050 -16.041 822 HB2 SER 111 1HB SER 111 -2.826 -18.663 -14.109 823 HB3 SER 111 2HB SER 111 -4.224 -19.752 -14.032 824 H ASN 112 H ASN 112 -3.497 -16.155 -11.885 825 HA ASN 112 HA ASN 112 -3.768 -17.908 -9.547 826 HB2 ASN 112 1HB ASN 112 -1.408 -17.492 -10.235 827 HB3 ASN 112 2HB ASN 112 -1.704 -15.751 -10.107 828 HD21 ASN 112 1HD2 ASN 112 -0.994 -18.663 -8.406 829 HD22 ASN 112 2HD2 ASN 112 -0.866 -17.925 -6.843 830 H GLN 113 H GLN 113 -4.647 -16.975 -7.733 831 HA GLN 113 HA GLN 113 -6.585 -14.997 -8.082 832 HB2 GLN 113 1HB GLN 113 -6.608 -16.757 -6.347 833 HB3 GLN 113 2HB GLN 113 -5.329 -15.897 -5.498 834 HG2 GLN 113 1HG GLN 113 -6.843 -14.045 -5.103 835 HG3 GLN 113 2HG GLN 113 -8.094 -14.877 -6.036 836 HE21 GLN 113 1HE2 GLN 113 -6.226 -14.975 -3.105 837 HE22 GLN 113 2HE2 GLN 113 -7.315 -16.021 -2.246 838 H LEU 114 H LEU 114 -3.184 -14.652 -7.018 839 HA LEU 114 HA LEU 114 -3.411 -12.047 -5.892 840 HG LEU 114 HG LEU 114 -0.468 -11.343 -6.903 841 HB2 LEU 114 1HB LEU 114 -1.640 -13.657 -5.401 842 HB3 LEU 114 2HB LEU 114 -1.179 -13.655 -7.102 843 HD11 LEU 114 1HD1 LEU 114 -0.343 -10.299 -4.689 844 HD12 LEU 114 2HD1 LEU 114 -1.263 -11.653 -4.011 845 HD13 LEU 114 3HD1 LEU 114 -2.004 -10.584 -5.210 846 HD21 LEU 114 3HD2 LEU 114 1.471 -11.742 -5.552 847 HD22 LEU 114 1HD2 LEU 114 1.065 -13.185 -6.462 848 HD23 LEU 114 2HD2 LEU 114 0.672 -13.089 -4.744 849 H GLY 115 H GLY 115 -2.802 -13.366 -9.043 850 HA2 GLY 115 1HA GLY 115 -2.208 -10.804 -10.194 851 HA3 GLY 115 2HA GLY 115 -2.519 -12.288 -11.106 852 H GLN 116 H GLN 116 -5.149 -12.869 -9.936 853 HA GLN 116 HA GLN 116 -6.789 -11.399 -11.565 854 HB2 GLN 116 1HB GLN 116 -7.458 -12.854 -9.020 855 HB3 GLN 116 2HB GLN 116 -8.568 -12.481 -10.347 856 HG2 GLN 116 1HG GLN 116 -7.075 -13.809 -11.790 857 HG3 GLN 116 2HG GLN 116 -6.228 -14.316 -10.338 858 HE21 GLN 116 1HE2 GLN 116 -7.704 -15.834 -12.258 859 HE22 GLN 116 2HE2 GLN 116 -8.925 -16.711 -11.385 860 H VAL 117 H VAL 117 -5.823 -10.979 -8.238 861 HA VAL 117 HA VAL 117 -7.876 -9.135 -7.853 862 HB VAL 117 HB VAL 117 -5.689 -10.099 -6.078 863 HG11 VAL 117 1HG1 VAL 117 -6.289 -8.491 -4.354 864 HG12 VAL 117 2HG1 VAL 117 -7.410 -7.695 -5.489 865 HG13 VAL 117 3HG1 VAL 117 -5.665 -7.666 -5.800 866 HG21 VAL 117 3HG2 VAL 117 -7.780 -11.251 -6.187 867 HG22 VAL 117 1HG2 VAL 117 -8.632 -9.735 -5.834 868 HG23 VAL 117 2HG2 VAL 117 -7.595 -10.436 -4.606 869 H VAL 118 H VAL 118 -4.270 -8.971 -8.213 870 HA VAL 118 HA VAL 118 -3.986 -6.249 -8.224 871 HB VAL 118 HB VAL 118 -2.532 -8.290 -9.902 872 HG11 VAL 118 1HG1 VAL 118 -0.727 -6.581 -10.119 873 HG12 VAL 118 2HG1 VAL 118 -1.748 -5.418 -9.276 874 HG13 VAL 118 3HG1 VAL 118 -2.231 -6.029 -10.857 875 HG21 VAL 118 3HG2 VAL 118 -0.768 -8.085 -8.219 876 HG22 VAL 118 1HG2 VAL 118 -2.286 -8.640 -7.504 877 HG23 VAL 118 2HG2 VAL 118 -1.776 -6.954 -7.319 878 H ASP 119 H ASP 119 -5.206 -8.316 -10.765 879 HA ASP 119 HA ASP 119 -5.141 -6.304 -12.803 880 HB2 ASP 119 1HB ASP 119 -5.348 -8.661 -13.476 881 HB3 ASP 119 2HB ASP 119 -6.841 -8.796 -12.541 882 H TYR 120 H TYR 120 -7.425 -7.435 -10.480 883 HA TYR 120 HA TYR 120 -9.631 -5.827 -11.323 884 HD1 TYR 120 HD1 TYR 120 -12.211 -5.644 -9.482 885 HD2 TYR 120 HD2 TYR 120 -8.999 -6.642 -6.868 886 HE1 TYR 120 HE1 TYR 120 -13.348 -4.558 -7.631 887 HE2 TYR 120 HE2 TYR 120 -10.099 -5.577 -5.069 888 HH TYR 120 HH TYR 120 -11.799 -3.807 -4.742 889 HB2 TYR 120 1HB TYR 120 -10.467 -7.523 -9.976 890 HB3 TYR 120 2HB TYR 120 -9.013 -7.561 -8.974 891 H VAL 121 H VAL 121 -7.108 -5.390 -8.937 892 HA VAL 121 HA VAL 121 -8.175 -2.903 -8.009 893 HB VAL 121 HB VAL 121 -5.443 -4.198 -7.660 894 HG11 VAL 121 1HG1 VAL 121 -6.699 -1.915 -6.201 895 HG12 VAL 121 2HG1 VAL 121 -5.316 -1.829 -7.301 896 HG13 VAL 121 3HG1 VAL 121 -5.190 -2.713 -5.771 897 HG21 VAL 121 3HG2 VAL 121 -6.252 -4.740 -5.379 898 HG22 VAL 121 1HG2 VAL 121 -7.122 -5.570 -6.674 899 HG23 VAL 121 2HG2 VAL 121 -7.855 -4.186 -5.883 900 H ARG 122 H ARG 122 -5.920 -3.901 -10.451 901 HA ARG 122 HA ARG 122 -4.987 -1.300 -10.968 902 HE ARG 122 HE ARG 122 -3.683 -4.232 -14.558 903 HB2 ARG 122 1HB ARG 122 -3.854 -3.441 -11.613 904 HB3 ARG 122 2HB ARG 122 -5.084 -3.632 -12.870 905 HG2 ARG 122 1HG ARG 122 -4.264 -1.843 -14.095 906 HG3 ARG 122 2HG ARG 122 -3.436 -1.179 -12.679 907 HD2 ARG 122 1HD ARG 122 -1.817 -2.192 -14.224 908 HD3 ARG 122 2HD ARG 122 -1.925 -3.097 -12.709 909 HH11 ARG 122 1HH1 ARG 122 -0.164 -3.983 -14.065 910 HH12 ARG 122 2HH1 ARG 122 0.169 -5.483 -14.790 911 HH21 ARG 122 1HH2 ARG 122 -3.177 -6.284 -15.580 912 HH22 ARG 122 2HH2 ARG 122 -1.557 -6.800 -15.668 913 H LYS 123 H LYS 123 -7.832 -3.165 -12.047 914 HA LYS 123 HA LYS 123 -8.813 -1.213 -13.863 915 HB2 LYS 123 1HB LYS 123 -10.252 -3.214 -12.108 916 HB3 LYS 123 2HB LYS 123 -10.927 -2.388 -13.498 917 HG2 LYS 123 1HG LYS 123 -8.557 -4.169 -13.804 918 HG3 LYS 123 2HG LYS 123 -10.186 -4.845 -13.669 919 HD2 LYS 123 1HD LYS 123 -10.889 -3.576 -15.582 920 HD3 LYS 123 2HD LYS 123 -9.301 -2.810 -15.692 921 HE2 LYS 123 1HE LYS 123 -9.629 -4.689 -17.295 922 HE3 LYS 123 2HE LYS 123 -8.256 -4.902 -16.216 923 HZ1 LYS 123 3HZ LYS 123 -9.405 -6.521 -14.981 924 HZ2 LYS 123 1HZ LYS 123 -9.671 -6.894 -16.580 925 HZ3 LYS 123 2HZ LYS 123 -10.907 -6.170 -15.674 926 H GLN 124 H GLN 124 -8.748 -1.544 -10.396 927 HA GLN 124 HA GLN 124 -11.005 0.109 -9.970 928 HB2 GLN 124 1HB GLN 124 -8.823 -0.564 -8.012 929 HB3 GLN 124 2HB GLN 124 -10.188 0.473 -7.601 930 HG2 GLN 124 1HG GLN 124 -10.062 -2.468 -7.861 931 HG3 GLN 124 2HG GLN 124 -11.047 -1.370 -6.878 932 HE21 GLN 124 1HE2 GLN 124 -10.706 -2.941 -9.815 933 HE22 GLN 124 2HE2 GLN 124 -12.307 -2.807 -10.386 934 H ALA 125 H ALA 125 -7.580 0.555 -9.506 935 HA ALA 125 HA ALA 125 -7.608 3.345 -9.120 936 HB1 ALA 125 3HB ALA 125 -5.898 1.837 -8.322 937 HB2 ALA 125 1HB ALA 125 -5.180 3.112 -9.327 938 HB3 ALA 125 2HB ALA 125 -5.407 1.483 -9.988 939 H SER 126 H SER 126 -6.860 1.234 -11.801 940 HA SER 126 HA SER 126 -6.481 1.485 -13.925 941 HG SER 126 HG SER 126 -8.673 3.472 -15.749 942 HB2 SER 126 1HB SER 126 -8.881 1.589 -13.843 943 HB3 SER 126 2HB SER 126 -8.867 3.359 -13.695 Start of MODEL 13 1 HA PRO 5 HA PRO 5 9.374 -21.092 -4.966 2 HB2 PRO 5 1HB PRO 5 10.391 -18.984 -6.179 3 HB3 PRO 5 2HB PRO 5 11.432 -20.234 -5.464 4 HG2 PRO 5 1HG PRO 5 10.694 -19.853 -8.358 5 HG3 PRO 5 2HG PRO 5 12.254 -20.390 -7.668 6 HD2 PRO 5 1HD PRO 5 10.348 -21.961 -8.780 7 HD3 PRO 5 2HD PRO 5 11.482 -22.566 -7.532 8 H VAL 6 H VAL 6 7.980 -19.611 -4.542 9 HA VAL 6 HA VAL 6 6.488 -17.942 -6.195 10 HB VAL 6 HB VAL 6 5.736 -20.192 -7.080 11 HG11 VAL 6 1HG1 VAL 6 4.509 -20.531 -4.361 12 HG12 VAL 6 2HG1 VAL 6 5.786 -21.509 -5.083 13 HG13 VAL 6 3HG1 VAL 6 4.162 -21.536 -5.768 14 HG21 VAL 6 3HG2 VAL 6 3.339 -19.671 -7.078 15 HG22 VAL 6 1HG2 VAL 6 4.358 -18.244 -7.355 16 HG23 VAL 6 2HG2 VAL 6 3.650 -18.524 -5.760 17 H CYS 7 H CYS 7 4.591 -17.044 -4.856 18 HA CYS 7 HA CYS 7 5.230 -17.411 -2.080 19 HB2 CYS 7 1HB CYS 7 5.186 -15.056 -2.742 20 HB3 CYS 7 2HB CYS 7 3.582 -15.267 -3.451 21 H ARG 8 H ARG 8 3.864 -18.305 -0.770 22 HA ARG 8 HA ARG 8 1.386 -19.307 -1.929 23 HE ARG 8 HE ARG 8 5.845 -21.143 1.270 24 HB2 ARG 8 1HB ARG 8 1.607 -21.186 -0.206 25 HB3 ARG 8 2HB ARG 8 2.656 -21.234 -1.627 26 HG2 ARG 8 1HG ARG 8 3.573 -19.986 0.874 27 HG3 ARG 8 2HG ARG 8 3.587 -21.761 0.761 28 HD2 ARG 8 1HD ARG 8 4.981 -21.500 -1.306 29 HD3 ARG 8 2HD ARG 8 5.001 -19.762 -1.027 30 HH11 ARG 8 1HH1 ARG 8 7.096 -20.023 -1.878 31 HH12 ARG 8 2HH1 ARG 8 8.716 -20.262 -1.436 32 HH21 ARG 8 1HH2 ARG 8 8.122 -21.443 1.817 33 HH22 ARG 8 2HH2 ARG 8 9.308 -21.076 0.661 34 H HIS 9 H HIS 9 2.410 -17.017 -0.133 35 HA HIS 9 HA HIS 9 0.682 -17.160 2.286 36 HD2 HIS 9 HD2 HIS 9 2.516 -17.342 4.324 37 HE1 HIS 9 HE1 HIS 9 6.431 -16.381 3.065 38 HE2 HIS 9 HE2 HIS 9 5.040 -17.662 4.771 39 HB2 HIS 9 1HB HIS 9 2.439 -14.951 1.185 40 HB3 HIS 9 2HB HIS 9 1.555 -14.921 2.717 41 H ILE 10 H ILE 10 0.063 -16.984 -0.728 42 HA ILE 10 HA ILE 10 -1.702 -14.699 -1.170 43 HB ILE 10 HB ILE 10 -2.073 -17.493 -2.223 44 HG12 ILE 10 1HG1 ILE 10 0.311 -17.203 -2.575 45 HG13 ILE 10 2HG1 ILE 10 -0.517 -16.975 -4.122 46 HG21 ILE 10 1HG2 ILE 10 -2.496 -14.800 -3.499 47 HG22 ILE 10 2HG2 ILE 10 -3.735 -15.854 -2.816 48 HG23 ILE 10 3HG2 ILE 10 -2.840 -16.361 -4.248 49 HD11 ILE 10 3HD1 ILE 10 -0.224 -14.550 -3.853 50 HD12 ILE 10 1HD1 ILE 10 1.305 -15.456 -3.795 51 HD13 ILE 10 2HD1 ILE 10 0.589 -14.885 -2.301 52 H ARG 11 H ARG 11 -2.044 -17.792 0.249 53 HA ARG 11 HA ARG 11 -4.754 -17.891 0.673 54 HE ARG 11 HE ARG 11 -3.583 -21.579 2.906 55 HB2 ARG 11 1HB ARG 11 -2.457 -18.866 2.342 56 HB3 ARG 11 2HB ARG 11 -4.130 -19.354 2.591 57 HG2 ARG 11 1HG ARG 11 -4.208 -20.555 0.617 58 HG3 ARG 11 2HG ARG 11 -2.838 -19.672 -0.078 59 HD2 ARG 11 1HD ARG 11 -2.279 -21.993 0.558 60 HD3 ARG 11 2HD ARG 11 -1.306 -20.795 1.395 61 HH11 ARG 11 1HH1 ARG 11 -0.360 -22.684 1.955 62 HH12 ARG 11 2HH1 ARG 11 -0.084 -23.579 3.383 63 HH21 ARG 11 1HH2 ARG 11 -3.205 -22.816 4.882 64 HH22 ARG 11 2HH2 ARG 11 -1.738 -23.639 5.094 65 H LYS 12 H LYS 12 -2.212 -16.407 2.708 66 HA LYS 12 HA LYS 12 -4.196 -15.476 4.544 67 HB2 LYS 12 1HB LYS 12 -2.275 -15.095 6.044 68 HB3 LYS 12 2HB LYS 12 -2.577 -16.755 5.540 69 HG2 LYS 12 1HG LYS 12 -0.784 -16.483 3.843 70 HG3 LYS 12 2HG LYS 12 -0.410 -14.918 4.597 71 HD2 LYS 12 1HD LYS 12 -0.628 -17.468 6.042 72 HD3 LYS 12 2HD LYS 12 0.946 -16.897 5.429 73 HE2 LYS 12 1HE LYS 12 0.621 -14.865 6.802 74 HE3 LYS 12 2HE LYS 12 -0.883 -15.551 7.422 75 HZ1 LYS 12 3HZ LYS 12 0.493 -17.415 8.313 76 HZ2 LYS 12 1HZ LYS 12 0.854 -15.918 9.000 77 HZ3 LYS 12 2HZ LYS 12 1.875 -16.560 7.848 78 H GLY 13 H GLY 13 -3.014 -14.221 1.858 79 HA2 GLY 13 1HA GLY 13 -2.187 -11.570 2.905 80 HA3 GLY 13 2HA GLY 13 -1.325 -12.414 1.627 81 H LEU 14 H LEU 14 -3.485 -13.447 0.287 82 HA LEU 14 HA LEU 14 -4.371 -11.058 -1.065 83 HG LEU 14 HG LEU 14 -5.132 -13.328 -3.980 84 HB2 LEU 14 1HB LEU 14 -3.563 -13.304 -2.152 85 HB3 LEU 14 2HB LEU 14 -5.146 -13.873 -1.636 86 HD11 LEU 14 1HD1 LEU 14 -7.140 -13.084 -2.675 87 HD12 LEU 14 2HD1 LEU 14 -7.064 -12.070 -4.136 88 HD13 LEU 14 3HD1 LEU 14 -6.797 -11.358 -2.525 89 HD21 LEU 14 3HD2 LEU 14 -4.811 -10.527 -3.188 90 HD22 LEU 14 1HD2 LEU 14 -4.994 -11.252 -4.786 91 HD23 LEU 14 2HD2 LEU 14 -3.486 -11.557 -3.865 92 H GLU 15 H GLU 15 -6.229 -10.181 -0.397 93 HA GLU 15 HA GLU 15 -8.482 -11.868 0.462 94 HB2 GLU 15 1HB GLU 15 -6.937 -10.211 2.027 95 HB3 GLU 15 2HB GLU 15 -8.145 -9.110 1.367 96 HG2 GLU 15 1HG GLU 15 -8.639 -11.643 2.923 97 HG3 GLU 15 2HG GLU 15 -8.849 -9.981 3.490 98 H GLN 16 H GLN 16 -10.254 -11.239 -0.265 99 HA GLN 16 HA GLN 16 -10.032 -9.396 -2.525 100 HB2 GLN 16 1HB GLN 16 -12.103 -11.550 -2.405 101 HB3 GLN 16 2HB GLN 16 -11.650 -10.509 -3.756 102 HG2 GLN 16 1HG GLN 16 -9.408 -11.651 -3.797 103 HG3 GLN 16 2HG GLN 16 -10.040 -12.728 -2.552 104 HE21 GLN 16 1HE2 GLN 16 -12.701 -12.854 -3.684 105 HE22 GLN 16 2HE2 GLN 16 -12.517 -13.794 -5.130 106 H GLY 17 H GLY 17 -12.041 -10.630 0.098 107 HA2 GLY 17 1HA GLY 17 -14.446 -9.333 -0.338 108 HA3 GLY 17 2HA GLY 17 -13.844 -9.901 1.222 109 H ASN 18 H ASN 18 -11.813 -8.313 1.814 110 HA ASN 18 HA ASN 18 -13.004 -5.862 2.625 111 HB2 ASN 18 1HB ASN 18 -10.078 -6.528 2.345 112 HB3 ASN 18 2HB ASN 18 -10.690 -5.046 3.046 113 HD21 ASN 18 1HD2 ASN 18 -8.987 -6.905 4.142 114 HD22 ASN 18 2HD2 ASN 18 -9.750 -7.465 5.597 115 H LEU 19 H LEU 19 -10.917 -6.790 0.081 116 HA LEU 19 HA LEU 19 -9.901 -4.432 -0.846 117 HG LEU 19 HG LEU 19 -8.422 -7.532 -2.274 118 HB2 LEU 19 1HB LEU 19 -10.578 -6.983 -2.242 119 HB3 LEU 19 2HB LEU 19 -9.904 -5.603 -3.102 120 HD11 LEU 19 1HD1 LEU 19 -6.554 -5.914 -1.971 121 HD12 LEU 19 2HD1 LEU 19 -7.782 -4.612 -1.982 122 HD13 LEU 19 3HD1 LEU 19 -7.563 -5.668 -3.403 123 HD21 LEU 19 3HD2 LEU 19 -9.036 -7.459 0.064 124 HD22 LEU 19 1HD2 LEU 19 -8.492 -5.786 0.166 125 HD23 LEU 19 2HD2 LEU 19 -7.317 -7.077 -0.123 126 H LYS 20 H LYS 20 -12.994 -5.950 -2.033 127 HA LYS 20 HA LYS 20 -13.474 -3.814 -3.785 128 HB2 LYS 20 1HB LYS 20 -15.291 -5.889 -2.528 129 HB3 LYS 20 2HB LYS 20 -15.899 -4.644 -3.600 130 HG2 LYS 20 1HG LYS 20 -15.633 -6.693 -4.814 131 HG3 LYS 20 2HG LYS 20 -14.435 -5.529 -5.406 132 HD2 LYS 20 1HD LYS 20 -12.765 -6.654 -3.935 133 HD3 LYS 20 2HD LYS 20 -13.989 -7.872 -3.550 134 HE2 LYS 20 1HE LYS 20 -12.863 -7.258 -6.287 135 HE3 LYS 20 2HE LYS 20 -12.445 -8.651 -5.279 136 HZ1 LYS 20 3HZ LYS 20 -14.006 -9.228 -6.994 137 HZ2 LYS 20 1HZ LYS 20 -15.101 -8.070 -6.472 138 HZ3 LYS 20 2HZ LYS 20 -14.764 -9.401 -5.501 139 H LYS 21 H LYS 21 -14.153 -4.140 -0.380 140 HA LYS 21 HA LYS 21 -16.005 -1.905 -0.365 141 HB2 LYS 21 1HB LYS 21 -14.708 -3.416 1.893 142 HB3 LYS 21 2HB LYS 21 -16.135 -2.395 1.993 143 HG2 LYS 21 1HG LYS 21 -17.468 -3.942 0.866 144 HG3 LYS 21 2HG LYS 21 -16.059 -4.831 0.254 145 HD2 LYS 21 1HD LYS 21 -17.042 -6.103 2.003 146 HD3 LYS 21 2HD LYS 21 -15.508 -5.414 2.539 147 HE2 LYS 21 1HE LYS 21 -17.217 -5.252 4.314 148 HE3 LYS 21 2HE LYS 21 -16.699 -3.660 3.770 149 HZ1 LYS 21 3HZ LYS 21 -18.712 -3.424 2.514 150 HZ2 LYS 21 1HZ LYS 21 -19.108 -3.874 4.074 151 HZ3 LYS 21 2HZ LYS 21 -19.195 -5.011 2.842 152 H ALA 22 H ALA 22 -12.628 -2.584 0.238 153 HA ALA 22 HA ALA 22 -12.159 -0.178 1.711 154 HB1 ALA 22 3HB ALA 22 -10.264 -2.265 0.605 155 HB2 ALA 22 1HB ALA 22 -10.954 -2.305 2.214 156 HB3 ALA 22 2HB ALA 22 -9.851 -1.018 1.772 157 H LEU 23 H LEU 23 -11.764 -1.338 -1.614 158 HA LEU 23 HA LEU 23 -10.281 0.994 -2.404 159 HG LEU 23 HG LEU 23 -10.241 -2.361 -3.003 160 HB2 LEU 23 1HB LEU 23 -11.650 -0.968 -4.196 161 HB3 LEU 23 2HB LEU 23 -10.343 0.135 -4.617 162 HD11 LEU 23 1HD1 LEU 23 -8.842 -1.592 -5.505 163 HD12 LEU 23 2HD1 LEU 23 -10.083 -2.824 -5.260 164 HD13 LEU 23 3HD1 LEU 23 -8.483 -3.014 -4.533 165 HD21 LEU 23 3HD2 LEU 23 -8.931 -0.780 -1.777 166 HD22 LEU 23 1HD2 LEU 23 -7.981 -0.382 -3.220 167 HD23 LEU 23 2HD2 LEU 23 -7.911 -2.010 -2.503 168 H VAL 24 H VAL 24 -13.454 0.329 -1.871 169 HA VAL 24 HA VAL 24 -14.704 2.157 -3.621 170 HB VAL 24 HB VAL 24 -15.512 1.500 -0.764 171 HG11 VAL 24 1HG1 VAL 24 -17.063 2.936 -2.907 172 HG12 VAL 24 2HG1 VAL 24 -16.385 3.652 -1.447 173 HG13 VAL 24 3HG1 VAL 24 -17.694 2.462 -1.319 174 HG21 VAL 24 3HG2 VAL 24 -16.573 0.542 -3.417 175 HG22 VAL 24 1HG2 VAL 24 -17.226 0.126 -1.830 176 HG23 VAL 24 2HG2 VAL 24 -15.600 -0.390 -2.275 177 H ASN 25 H ASN 25 -13.292 2.777 -0.410 178 HA ASN 25 HA ASN 25 -13.715 5.677 -0.805 179 HB2 ASN 25 1HB ASN 25 -13.279 4.041 1.686 180 HB3 ASN 25 2HB ASN 25 -13.216 5.809 1.680 181 HD21 ASN 25 1HD2 ASN 25 -15.195 2.997 1.569 182 HD22 ASN 25 2HD2 ASN 25 -16.715 3.809 1.680 183 H VAL 26 H VAL 26 -11.499 3.716 -1.646 184 HA VAL 26 HA VAL 26 -9.208 4.515 -0.213 185 HB VAL 26 HB VAL 26 -9.996 2.549 -1.593 186 HG11 VAL 26 1HG1 VAL 26 -10.098 3.318 -3.703 187 HG12 VAL 26 2HG1 VAL 26 -8.861 2.089 -3.596 188 HG13 VAL 26 3HG1 VAL 26 -8.390 3.803 -3.714 189 HG21 VAL 26 3HG2 VAL 26 -7.780 1.633 -1.667 190 HG22 VAL 26 1HG2 VAL 26 -8.322 2.355 -0.150 191 HG23 VAL 26 2HG2 VAL 26 -7.175 3.249 -1.196 192 H GLU 27 H GLU 27 -7.492 5.650 -1.056 193 HA GLU 27 HA GLU 27 -8.158 7.611 -3.111 194 HB2 GLU 27 1HB GLU 27 -7.607 8.242 -0.720 195 HB3 GLU 27 2HB GLU 27 -5.946 7.773 -1.119 196 HG2 GLU 27 1HG GLU 27 -6.139 10.018 -1.355 197 HG3 GLU 27 2HG GLU 27 -6.133 9.315 -2.999 198 H TRP 28 H TRP 28 -7.202 7.076 -4.933 199 HA TRP 28 HA TRP 28 -5.188 5.103 -4.887 200 HD1 TRP 28 HD1 TRP 28 -8.801 5.008 -6.954 201 HE1 TRP 28 HE1 TRP 28 -9.395 2.548 -6.491 202 HE3 TRP 28 HE3 TRP 28 -4.173 3.329 -5.902 203 HZ2 TRP 28 HZ2 TRP 28 -8.013 0.218 -5.835 204 HZ3 TRP 28 HZ3 TRP 28 -3.873 0.964 -5.333 205 HH2 TRP 28 HH2 TRP 28 -5.743 -0.546 -5.291 206 HB2 TRP 28 1HB TRP 28 -6.752 6.388 -6.975 207 HB3 TRP 28 2HB TRP 28 -5.345 5.451 -7.472 208 H ASN 29 H ASN 29 -3.280 5.076 -5.079 209 HA ASN 29 HA ASN 29 -1.119 5.597 -5.220 210 HB2 ASN 29 1HB ASN 29 -1.950 6.308 -7.446 211 HB3 ASN 29 2HB ASN 29 -1.839 7.984 -6.944 212 HD21 ASN 29 1HD2 ASN 29 -0.179 5.225 -7.881 213 HD22 ASN 29 2HD2 ASN 29 1.413 5.921 -7.812 214 H ILE 30 H ILE 30 -3.002 6.741 -3.367 215 HA ILE 30 HA ILE 30 -1.165 8.685 -2.204 216 HB ILE 30 HB ILE 30 -4.187 8.716 -1.913 217 HG12 ILE 30 1HG1 ILE 30 -2.303 10.489 -3.490 218 HG13 ILE 30 2HG1 ILE 30 -3.819 9.659 -3.915 219 HG21 ILE 30 1HG2 ILE 30 -3.914 10.738 -0.492 220 HG22 ILE 30 2HG2 ILE 30 -2.168 10.508 -0.530 221 HG23 ILE 30 3HG2 ILE 30 -3.209 9.301 0.217 222 HD11 ILE 30 3HD1 ILE 30 -4.029 12.116 -3.845 223 HD12 ILE 30 1HD1 ILE 30 -3.692 12.054 -2.118 224 HD13 ILE 30 2HD1 ILE 30 -5.133 11.266 -2.764 225 H CYS 31 H CYS 31 -0.185 7.461 -0.879 226 HA CYS 31 HA CYS 31 -1.114 5.342 0.604 227 HB2 CYS 31 1HB CYS 31 1.174 5.685 0.829 228 HB3 CYS 31 2HB CYS 31 1.094 7.377 1.243 229 H GLN 32 H GLN 32 -2.952 5.286 1.541 230 HA GLN 32 HA GLN 32 -4.353 7.468 2.581 231 HB2 GLN 32 1HB GLN 32 -5.855 5.785 3.621 232 HB3 GLN 32 2HB GLN 32 -5.626 5.534 1.892 233 HG2 GLN 32 1HG GLN 32 -4.054 3.782 2.373 234 HG3 GLN 32 2HG GLN 32 -4.337 4.020 4.110 235 HE21 GLN 32 1HE2 GLN 32 -5.802 3.116 1.074 236 HE22 GLN 32 2HE2 GLN 32 -7.122 2.277 1.795 237 H ASP 33 H ASP 33 -1.952 5.549 3.966 238 HA ASP 33 HA ASP 33 -2.556 6.321 6.665 239 HB2 ASP 33 1HB ASP 33 -1.225 4.254 5.967 240 HB3 ASP 33 2HB ASP 33 0.133 5.358 5.696 241 H CYS 34 H CYS 34 -1.078 7.977 3.923 242 HA CYS 34 HA CYS 34 0.377 9.710 5.522 243 HB2 CYS 34 1HB CYS 34 -0.033 9.158 2.718 244 HB3 CYS 34 2HB CYS 34 0.220 10.848 3.102 245 H LYS 35 H LYS 35 -2.771 9.491 4.114 246 HA LYS 35 HA LYS 35 -3.229 12.322 4.445 247 HB2 LYS 35 1HB LYS 35 -5.623 11.691 3.949 248 HB3 LYS 35 2HB LYS 35 -4.432 11.460 2.657 249 HG2 LYS 35 1HG LYS 35 -4.501 9.241 2.914 250 HG3 LYS 35 2HG LYS 35 -5.215 9.312 4.529 251 HD2 LYS 35 1HD LYS 35 -6.771 8.564 2.835 252 HD3 LYS 35 2HD LYS 35 -7.292 10.061 3.639 253 HE2 LYS 35 1HE LYS 35 -6.462 11.301 1.629 254 HE3 LYS 35 2HE LYS 35 -6.100 9.748 0.871 255 HZ1 LYS 35 3HZ LYS 35 -8.256 10.527 0.111 256 HZ2 LYS 35 1HZ LYS 35 -8.781 10.715 1.704 257 HZ3 LYS 35 2HZ LYS 35 -8.488 9.187 1.102 258 H THR 36 H THR 36 -3.514 9.524 6.329 259 HA THR 36 HA THR 36 -5.146 10.967 8.165 260 HB THR 36 HB THR 36 -5.116 8.715 9.430 261 HG1 THR 36 HG1 THR 36 -4.520 7.549 6.936 262 HG21 THR 36 3HG2 THR 36 -6.866 7.806 8.001 263 HG22 THR 36 1HG2 THR 36 -6.365 8.915 6.706 264 HG23 THR 36 2HG2 THR 36 -7.004 9.558 8.232 265 H ASP 37 H ASP 37 -2.234 11.247 7.488 266 HA ASP 37 HA ASP 37 -0.691 9.949 9.496 267 HB2 ASP 37 1HB ASP 37 0.012 10.838 7.002 268 HB3 ASP 37 2HB ASP 37 0.357 12.203 8.021 269 H ASN 38 H ASN 38 -1.393 10.706 11.266 270 HA ASN 38 HA ASN 38 -1.179 13.435 12.154 271 HB2 ASN 38 1HB ASN 38 -2.255 11.585 13.538 272 HB3 ASN 38 2HB ASN 38 -0.626 11.008 13.917 273 HD21 ASN 38 1HD2 ASN 38 -0.796 11.377 16.108 274 HD22 ASN 38 2HD2 ASN 38 -0.880 12.958 16.802 275 H LYS 39 H LYS 39 0.745 13.686 14.205 276 HA LYS 39 HA LYS 39 2.897 13.987 14.782 277 HB2 LYS 39 1HB LYS 39 3.604 12.269 12.389 278 HB3 LYS 39 2HB LYS 39 4.712 12.855 13.641 279 HG2 LYS 39 1HG LYS 39 3.994 11.322 15.177 280 HG3 LYS 39 2HG LYS 39 2.369 11.275 14.470 281 HD2 LYS 39 1HD LYS 39 3.628 9.155 14.111 282 HD3 LYS 39 2HD LYS 39 3.140 9.956 12.620 283 HE2 LYS 39 1HE LYS 39 5.454 10.933 12.510 284 HE3 LYS 39 2HE LYS 39 5.876 9.889 13.865 285 HZ1 LYS 39 3HZ LYS 39 5.264 7.960 12.490 286 HZ2 LYS 39 1HZ LYS 39 6.454 8.856 11.701 287 HZ3 LYS 39 2HZ LYS 39 4.868 8.987 11.233 288 H VAL 40 H VAL 40 2.547 13.961 11.336 289 HA VAL 40 HA VAL 40 3.862 16.570 11.172 290 HB VAL 40 HB VAL 40 5.009 14.998 9.795 291 HG11 VAL 40 1HG1 VAL 40 3.875 13.696 8.007 292 HG12 VAL 40 2HG1 VAL 40 2.328 14.280 8.643 293 HG13 VAL 40 3HG1 VAL 40 3.358 13.259 9.638 294 HG21 VAL 40 3HG2 VAL 40 4.737 15.882 7.517 295 HG22 VAL 40 1HG2 VAL 40 4.717 17.168 8.725 296 HG23 VAL 40 2HG2 VAL 40 3.211 16.624 7.998 297 H LYS 41 H LYS 41 2.826 18.230 10.219 298 HA LYS 41 HA LYS 41 -0.072 17.847 9.897 299 HB2 LYS 41 1HB LYS 41 1.462 20.324 10.651 300 HB3 LYS 41 2HB LYS 41 -0.287 20.260 10.390 301 HG2 LYS 41 1HG LYS 41 -0.505 18.688 12.234 302 HG3 LYS 41 2HG LYS 41 1.241 18.732 12.489 303 HD2 LYS 41 1HD LYS 41 1.117 21.107 13.008 304 HD3 LYS 41 2HD LYS 41 -0.613 21.102 12.689 305 HE2 LYS 41 1HE LYS 41 0.780 19.526 14.848 306 HE3 LYS 41 2HE LYS 41 -0.147 21.007 15.090 307 HZ1 LYS 41 3HZ LYS 41 -1.504 19.123 15.616 308 HZ2 LYS 41 1HZ LYS 41 -1.204 18.396 14.128 309 HZ3 LYS 41 2HZ LYS 41 -2.100 19.815 14.207 310 H ASP 42 H ASP 42 2.629 19.697 8.536 311 HA ASP 42 HA ASP 42 1.244 21.020 6.527 312 HB2 ASP 42 1HB ASP 42 4.146 20.237 6.634 313 HB3 ASP 42 2HB ASP 42 3.461 21.253 5.361 314 H LYS 43 H LYS 43 3.649 18.571 5.593 315 HA LYS 43 HA LYS 43 3.753 17.107 3.907 316 HB2 LYS 43 1HB LYS 43 0.779 16.994 4.329 317 HB3 LYS 43 2HB LYS 43 1.610 16.008 3.121 318 HG2 LYS 43 1HG LYS 43 2.935 14.984 4.956 319 HG3 LYS 43 2HG LYS 43 1.948 15.938 6.087 320 HD2 LYS 43 1HD LYS 43 0.013 14.844 5.378 321 HD3 LYS 43 2HD LYS 43 0.873 14.042 4.061 322 HE2 LYS 43 1HE LYS 43 1.407 13.716 6.983 323 HE3 LYS 43 2HE LYS 43 0.540 12.586 5.947 324 HZ1 LYS 43 3HZ LYS 43 3.412 13.321 5.660 325 HZ2 LYS 43 1HZ LYS 43 2.560 12.258 4.663 326 HZ3 LYS 43 2HZ LYS 43 2.801 11.907 6.320 327 H ALA 44 H ALA 44 3.233 19.955 3.500 328 HA ALA 44 HA ALA 44 1.928 20.109 0.935 329 HB1 ALA 44 3HB ALA 44 2.581 22.486 1.012 330 HB2 ALA 44 1HB ALA 44 3.498 22.173 2.487 331 HB3 ALA 44 2HB ALA 44 1.743 21.994 2.485 332 H GLU 45 H GLU 45 5.107 20.682 2.306 333 HA GLU 45 HA GLU 45 7.065 21.032 1.407 334 HB2 GLU 45 1HB GLU 45 6.324 18.198 0.806 335 HB3 GLU 45 2HB GLU 45 7.947 18.797 0.436 336 HG2 GLU 45 1HG GLU 45 7.908 17.664 2.601 337 HG3 GLU 45 2HG GLU 45 8.280 19.365 2.791 338 H GLU 46 H GLU 46 6.165 22.628 0.046 339 HA GLU 46 HA GLU 46 5.564 22.182 -2.684 340 HB2 GLU 46 1HB GLU 46 5.484 24.628 -2.830 341 HB3 GLU 46 2HB GLU 46 4.557 24.000 -1.463 342 HG2 GLU 46 1HG GLU 46 7.199 24.550 -0.576 343 HG3 GLU 46 2HG GLU 46 6.621 25.953 -1.465 344 H GLU 47 H GLU 47 8.558 22.670 -1.038 345 HA GLU 47 HA GLU 47 9.778 23.487 -3.524 346 HB2 GLU 47 1HB GLU 47 10.180 24.903 -1.576 347 HB3 GLU 47 2HB GLU 47 10.846 23.520 -0.703 348 HG2 GLU 47 1HG GLU 47 12.661 23.387 -2.161 349 HG3 GLU 47 2HG GLU 47 11.977 24.624 -3.235 350 H THR 48 H THR 48 9.804 20.941 -1.080 351 HA THR 48 HA THR 48 11.947 19.507 -2.239 352 HB THR 48 HB THR 48 9.704 18.388 -0.530 353 HG1 THR 48 HG1 THR 48 11.116 18.840 1.203 354 HG21 THR 48 3HG2 THR 48 11.125 16.690 -1.604 355 HG22 THR 48 1HG2 THR 48 11.387 16.732 0.139 356 HG23 THR 48 2HG2 THR 48 12.561 17.476 -0.945 357 H GLU 49 H GLU 49 8.407 18.931 -2.324 358 HA GLU 49 HA GLU 49 7.077 17.726 -3.615 359 HB2 GLU 49 1HB GLU 49 8.868 18.787 -5.758 360 HB3 GLU 49 2HB GLU 49 7.287 18.048 -6.039 361 HG2 GLU 49 1HG GLU 49 6.263 19.801 -4.679 362 HG3 GLU 49 2HG GLU 49 7.849 20.553 -4.493 363 H GLU 50 H GLU 50 7.974 15.844 -2.618 364 HA GLU 50 HA GLU 50 9.117 14.170 -4.675 365 HB2 GLU 50 1HB GLU 50 9.889 12.598 -2.811 366 HB3 GLU 50 2HB GLU 50 10.756 14.102 -3.029 367 HG2 GLU 50 1HG GLU 50 10.594 13.870 -0.754 368 HG3 GLU 50 2HG GLU 50 9.312 15.004 -1.175 369 H LYS 51 H LYS 51 8.508 12.051 -4.846 370 HA LYS 51 HA LYS 51 5.761 11.542 -4.043 371 HB2 LYS 51 1HB LYS 51 6.772 11.114 -6.867 372 HB3 LYS 51 2HB LYS 51 5.124 10.875 -6.276 373 HG2 LYS 51 1HG LYS 51 4.881 12.934 -7.326 374 HG3 LYS 51 2HG LYS 51 5.389 13.369 -5.672 375 HD2 LYS 51 1HD LYS 51 7.650 13.676 -6.338 376 HD3 LYS 51 2HD LYS 51 7.293 13.140 -7.978 377 HE2 LYS 51 1HE LYS 51 5.846 15.077 -8.302 378 HE3 LYS 51 2HE LYS 51 6.140 15.591 -6.642 379 HZ1 LYS 51 3HZ LYS 51 8.217 15.348 -8.748 380 HZ2 LYS 51 1HZ LYS 51 8.470 15.864 -7.165 381 HZ3 LYS 51 2HZ LYS 51 7.537 16.788 -8.220 382 HA PRO 52 HA PRO 52 8.407 7.876 -3.254 383 HB2 PRO 52 1HB PRO 52 6.883 6.956 -1.252 384 HB3 PRO 52 2HB PRO 52 8.041 8.333 -1.059 385 HG2 PRO 52 1HG PRO 52 5.071 8.348 -1.482 386 HG3 PRO 52 2HG PRO 52 6.017 9.215 -0.256 387 HD2 PRO 52 1HD PRO 52 5.228 10.411 -2.507 388 HD3 PRO 52 2HD PRO 52 6.817 10.737 -1.754 389 H SER 53 H SER 53 7.805 5.522 -3.011 390 HA SER 53 HA SER 53 6.045 4.795 -5.076 391 HG SER 53 HG SER 53 8.887 2.843 -3.123 392 HB2 SER 53 1HB SER 53 6.765 2.486 -4.161 393 HB3 SER 53 2HB SER 53 7.992 3.513 -4.922 394 H VAL 54 H VAL 54 4.191 3.664 -4.827 395 HA VAL 54 HA VAL 54 3.021 3.841 -2.132 396 HB VAL 54 HB VAL 54 1.418 4.461 -4.666 397 HG11 VAL 54 1HG1 VAL 54 0.164 3.358 -2.862 398 HG12 VAL 54 2HG1 VAL 54 -0.367 4.988 -3.267 399 HG13 VAL 54 3HG1 VAL 54 0.585 4.711 -1.796 400 HG21 VAL 54 3HG2 VAL 54 3.017 6.230 -4.086 401 HG22 VAL 54 1HG2 VAL 54 2.362 6.277 -2.450 402 HG23 VAL 54 2HG2 VAL 54 1.337 6.727 -3.816 403 H TRP 55 H TRP 55 2.826 2.054 -1.459 404 HA TRP 55 HA TRP 55 2.120 -0.189 -3.199 405 HD1 TRP 55 HD1 TRP 55 5.419 1.375 -1.555 406 HE1 TRP 55 HE1 TRP 55 7.492 0.723 -2.967 407 HE3 TRP 55 HE3 TRP 55 3.906 -3.211 -3.228 408 HZ2 TRP 55 HZ2 TRP 55 8.356 -1.422 -4.552 409 HZ3 TRP 55 HZ3 TRP 55 5.414 -4.494 -4.680 410 HH2 TRP 55 HH2 TRP 55 7.590 -3.613 -5.332 411 HB2 TRP 55 1HB TRP 55 3.466 -0.231 -0.486 412 HB3 TRP 55 2HB TRP 55 3.050 -1.658 -1.441 413 H LEU 56 H LEU 56 0.365 -1.076 -3.029 414 HA LEU 56 HA LEU 56 -1.507 -0.316 -0.913 415 HG LEU 56 HG LEU 56 -3.733 -1.743 -1.411 416 HB2 LEU 56 1HB LEU 56 -2.411 0.194 -3.023 417 HB3 LEU 56 2HB LEU 56 -2.057 -1.404 -3.669 418 HD11 LEU 56 1HD1 LEU 56 -4.439 0.526 -1.596 419 HD12 LEU 56 2HD1 LEU 56 -5.729 -0.544 -2.143 420 HD13 LEU 56 3HD1 LEU 56 -4.749 0.329 -3.319 421 HD21 LEU 56 3HD2 LEU 56 -4.188 -1.988 -4.341 422 HD22 LEU 56 1HD2 LEU 56 -5.255 -2.667 -3.095 423 HD23 LEU 56 2HD2 LEU 56 -3.587 -3.238 -3.233 424 H CYS 57 H CYS 57 -1.930 -1.709 0.610 425 HA CYS 57 HA CYS 57 -1.024 -4.373 0.888 426 HB2 CYS 57 1HB CYS 57 -1.717 -2.707 2.662 427 HB3 CYS 57 2HB CYS 57 -3.379 -3.023 2.189 428 H LEU 58 H LEU 58 -1.670 -6.087 -0.414 429 HA LEU 58 HA LEU 58 -4.131 -6.163 -1.827 430 HG LEU 58 HG LEU 58 -1.894 -5.966 -3.022 431 HB2 LEU 58 1HB LEU 58 -1.832 -7.974 -1.238 432 HB3 LEU 58 2HB LEU 58 -3.207 -8.507 -2.194 433 HD11 LEU 58 1HD1 LEU 58 -0.059 -7.566 -2.597 434 HD12 LEU 58 2HD1 LEU 58 -0.287 -7.100 -4.277 435 HD13 LEU 58 3HD1 LEU 58 -0.840 -8.703 -3.721 436 HD21 LEU 58 3HD2 LEU 58 -3.891 -6.775 -4.102 437 HD22 LEU 58 1HD2 LEU 58 -3.091 -8.331 -4.358 438 HD23 LEU 58 2HD2 LEU 58 -2.489 -6.901 -5.194 439 H LYS 59 H LYS 59 -3.337 -6.626 1.156 440 HA LYS 59 HA LYS 59 -5.233 -8.703 1.790 441 HB2 LYS 59 1HB LYS 59 -3.199 -8.759 2.969 442 HB3 LYS 59 2HB LYS 59 -3.363 -7.094 3.529 443 HG2 LYS 59 1HG LYS 59 -3.955 -8.378 5.355 444 HG3 LYS 59 2HG LYS 59 -5.428 -7.811 4.527 445 HD2 LYS 59 1HD LYS 59 -5.849 -9.918 3.566 446 HD3 LYS 59 2HD LYS 59 -4.244 -10.542 3.952 447 HE2 LYS 59 1HE LYS 59 -5.633 -11.593 5.471 448 HE3 LYS 59 2HE LYS 59 -4.950 -10.240 6.361 449 HZ1 LYS 59 3HZ LYS 59 -7.123 -8.985 5.860 450 HZ2 LYS 59 1HZ LYS 59 -7.283 -10.342 6.838 451 HZ3 LYS 59 2HZ LYS 59 -7.726 -10.448 5.259 452 H CYS 60 H CYS 60 -4.952 -5.236 2.317 453 HA CYS 60 HA CYS 60 -7.846 -5.219 2.977 454 HB2 CYS 60 1HB CYS 60 -7.622 -3.857 4.897 455 HB3 CYS 60 2HB CYS 60 -6.416 -5.161 4.982 456 H GLY 61 H GLY 61 -5.736 -3.938 0.893 457 HA2 GLY 61 1HA GLY 61 -6.070 -2.288 -0.683 458 HA3 GLY 61 2HA GLY 61 -7.618 -1.930 0.093 459 H HIS 62 H HIS 62 -4.957 -1.883 2.093 460 HA HIS 62 HA HIS 62 -5.064 1.021 2.500 461 HD1 HIS 62 HD1 HIS 62 -1.234 0.383 3.998 462 HD2 HIS 62 HD2 HIS 62 -4.676 1.905 5.744 463 HE1 HIS 62 HE1 HIS 62 -0.476 2.215 5.517 464 HB2 HIS 62 1HB HIS 62 -4.892 -0.455 4.430 465 HB3 HIS 62 2HB HIS 62 -3.394 -1.134 3.787 466 H GLN 63 H GLN 63 -3.983 2.352 1.238 467 HA GLN 63 HA GLN 63 -1.539 1.451 0.091 468 HB2 GLN 63 1HB GLN 63 -2.766 4.180 -0.114 469 HB3 GLN 63 2HB GLN 63 -1.254 3.717 -0.882 470 HG2 GLN 63 1HG GLN 63 -2.521 3.331 -2.564 471 HG3 GLN 63 2HG GLN 63 -2.838 1.798 -1.754 472 HE21 GLN 63 1HE2 GLN 63 -4.594 3.208 -3.535 473 HE22 GLN 63 2HE2 GLN 63 -6.042 3.562 -2.640 474 H GLY 64 H GLY 64 0.194 1.755 0.723 475 HA2 GLY 64 1HA GLY 64 0.907 3.812 2.681 476 HA3 GLY 64 2HA GLY 64 1.489 2.147 2.828 477 H CYS 65 H CYS 65 2.881 4.615 2.551 478 HA CYS 65 HA CYS 65 3.911 4.482 -0.099 479 HB2 CYS 65 1HB CYS 65 5.252 6.508 0.624 480 HB3 CYS 65 2HB CYS 65 3.509 6.677 0.789 481 H GLY 66 H GLY 66 5.812 3.605 -0.619 482 HA2 GLY 66 1HA GLY 66 6.704 1.616 1.287 483 HA3 GLY 66 2HA GLY 66 7.065 1.659 -0.435 484 H ARG 67 H ARG 67 9.093 1.306 -0.360 485 HA ARG 67 HA ARG 67 11.014 1.979 1.563 486 HE ARG 67 HE ARG 67 12.588 -1.541 0.433 487 HB2 ARG 67 1HB ARG 67 11.983 1.722 -1.217 488 HB3 ARG 67 2HB ARG 67 12.530 0.908 0.236 489 HG2 ARG 67 1HG ARG 67 10.432 -0.493 0.099 490 HG3 ARG 67 2HG ARG 67 10.168 0.298 -1.466 491 HD2 ARG 67 1HD ARG 67 11.190 -1.811 -1.896 492 HD3 ARG 67 2HD ARG 67 12.369 -0.536 -2.212 493 HH11 ARG 67 1HH1 ARG 67 13.564 -2.180 -2.930 494 HH12 ARG 67 2HH1 ARG 67 14.806 -3.258 -2.509 495 HH21 ARG 67 1HH2 ARG 67 14.284 -3.069 0.995 496 HH22 ARG 67 2HH2 ARG 67 15.225 -3.781 -0.226 497 H ASN 68 H ASN 68 9.773 3.871 -0.956 498 HA ASN 68 HA ASN 68 12.131 5.554 -1.153 499 HB2 ASN 68 1HB ASN 68 9.500 5.682 -2.578 500 HB3 ASN 68 2HB ASN 68 10.917 6.673 -2.939 501 HD21 ASN 68 1HD2 ASN 68 11.054 5.945 -5.022 502 HD22 ASN 68 2HD2 ASN 68 11.500 4.309 -5.415 503 H SER 69 H SER 69 9.970 5.470 1.179 504 HA SER 69 HA SER 69 9.498 8.340 1.011 505 HG SER 69 HG SER 69 8.038 5.231 2.097 506 HB2 SER 69 1HB SER 69 7.632 7.988 2.572 507 HB3 SER 69 2HB SER 69 7.406 7.129 1.036 508 H GLN 70 H GLN 70 9.319 9.370 3.189 509 HA GLN 70 HA GLN 70 11.760 8.918 4.605 510 HB2 GLN 70 1HB GLN 70 11.114 10.875 5.898 511 HB3 GLN 70 2HB GLN 70 10.870 11.136 4.162 512 HG2 GLN 70 1HG GLN 70 8.437 10.610 4.545 513 HG3 GLN 70 2HG GLN 70 8.793 10.633 6.267 514 HE21 GLN 70 1HE2 GLN 70 7.465 12.352 6.672 515 HE22 GLN 70 2HE2 GLN 70 7.828 13.967 6.138 516 H GLU 71 H GLU 71 8.494 8.073 5.056 517 HA GLU 71 HA GLU 71 8.986 7.199 7.825 518 HB2 GLU 71 1HB GLU 71 6.458 7.773 6.352 519 HB3 GLU 71 2HB GLU 71 6.465 6.873 7.870 520 HG2 GLU 71 1HG GLU 71 7.485 9.662 7.437 521 HG3 GLU 71 2HG GLU 71 5.966 9.170 8.209 522 H GLN 72 H GLN 72 8.015 5.986 4.688 523 HA GLN 72 HA GLN 72 7.607 3.935 3.886 524 HB2 GLN 72 1HB GLN 72 9.399 3.162 6.179 525 HB3 GLN 72 2HB GLN 72 8.846 2.009 4.959 526 HG2 GLN 72 1HG GLN 72 9.913 3.448 3.233 527 HG3 GLN 72 2HG GLN 72 10.597 4.407 4.548 528 HE21 GLN 72 1HE2 GLN 72 10.504 1.358 3.112 529 HE22 GLN 72 2HE2 GLN 72 12.094 0.972 3.708 530 H HIS 73 H HIS 73 5.424 4.710 4.865 531 HA HIS 73 HA HIS 73 4.401 3.623 7.137 532 HD2 HIS 73 HD2 HIS 73 3.968 5.498 8.459 533 HE1 HIS 73 HE1 HIS 73 2.579 8.951 6.393 534 HE2 HIS 73 HE2 HIS 73 3.427 8.031 8.704 535 HB2 HIS 73 1HB HIS 73 3.325 4.785 4.650 536 HB3 HIS 73 2HB HIS 73 2.261 4.115 5.879 537 H ALA 74 H ALA 74 4.630 2.315 3.905 538 HA ALA 74 HA ALA 74 2.783 0.073 4.257 539 HB1 ALA 74 3HB ALA 74 3.598 0.865 2.025 540 HB2 ALA 74 1HB ALA 74 3.896 -0.850 2.312 541 HB3 ALA 74 2HB ALA 74 5.212 0.313 2.468 542 H LEU 75 H LEU 75 6.143 0.581 4.942 543 HA LEU 75 HA LEU 75 6.650 -2.135 5.677 544 HG LEU 75 HG LEU 75 9.953 -0.409 4.750 545 HB2 LEU 75 1HB LEU 75 8.159 0.452 6.127 546 HB3 LEU 75 2HB LEU 75 8.718 -1.087 6.762 547 HD11 LEU 75 1HD1 LEU 75 9.769 -2.734 5.244 548 HD12 LEU 75 2HD1 LEU 75 9.775 -2.466 3.501 549 HD13 LEU 75 3HD1 LEU 75 8.261 -2.843 4.330 550 HD21 LEU 75 3HD2 LEU 75 8.913 -0.439 2.532 551 HD22 LEU 75 1HD2 LEU 75 8.189 0.822 3.529 552 HD23 LEU 75 2HD2 LEU 75 7.332 -0.692 3.264 553 H LYS 76 H LYS 76 6.126 0.960 7.547 554 HA LYS 76 HA LYS 76 5.981 -0.191 9.947 555 HB2 LYS 76 1HB LYS 76 4.612 2.258 8.860 556 HB3 LYS 76 2HB LYS 76 4.634 1.814 10.580 557 HG2 LYS 76 1HG LYS 76 7.062 1.780 10.449 558 HG3 LYS 76 2HG LYS 76 6.933 2.340 8.775 559 HD2 LYS 76 1HD LYS 76 5.910 4.403 9.505 560 HD3 LYS 76 2HD LYS 76 5.866 3.819 11.187 561 HE2 LYS 76 1HE LYS 76 8.248 3.477 11.035 562 HE3 LYS 76 2HE LYS 76 8.277 4.328 9.491 563 HZ1 LYS 76 3HZ LYS 76 7.478 6.380 10.606 564 HZ2 LYS 76 1HZ LYS 76 8.884 5.801 11.322 565 HZ3 LYS 76 2HZ LYS 76 7.405 5.549 12.073 566 H HIS 77 H HIS 77 3.540 -0.180 7.432 567 HA HIS 77 HA HIS 77 1.384 -0.866 9.096 568 HD1 HIS 77 HD1 HIS 77 -1.348 -0.054 7.856 569 HD2 HIS 77 HD2 HIS 77 -0.133 -3.395 5.686 570 HE1 HIS 77 HE1 HIS 77 -3.453 -1.302 7.259 571 HB2 HIS 77 1HB HIS 77 1.073 0.100 6.878 572 HB3 HIS 77 2HB HIS 77 1.739 -1.345 6.111 573 H TYR 78 H TYR 78 3.793 -2.617 7.344 574 HA TYR 78 HA TYR 78 2.804 -5.214 8.029 575 HD1 TYR 78 HD1 TYR 78 3.454 -7.400 7.092 576 HD2 TYR 78 HD2 TYR 78 7.286 -5.715 7.847 577 HE1 TYR 78 HE1 TYR 78 4.355 -9.647 7.498 578 HE2 TYR 78 HE2 TYR 78 8.199 -7.959 8.258 579 HH TYR 78 HH TYR 78 6.402 -10.826 7.537 580 HB2 TYR 78 1HB TYR 78 4.277 -4.977 6.220 581 HB3 TYR 78 2HB TYR 78 5.556 -4.285 7.228 582 H LEU 79 H LEU 79 5.023 -2.852 9.689 583 HA LEU 79 HA LEU 79 5.722 -4.742 11.646 584 HG LEU 79 HG LEU 79 7.290 -2.796 9.616 585 HB2 LEU 79 1HB LEU 79 6.100 -1.767 11.428 586 HB3 LEU 79 2HB LEU 79 6.879 -2.840 12.593 587 HD11 LEU 79 1HD1 LEU 79 9.130 -2.127 11.892 588 HD12 LEU 79 2HD1 LEU 79 8.388 -0.986 10.771 589 HD13 LEU 79 3HD1 LEU 79 9.566 -2.158 10.183 590 HD21 LEU 79 3HD2 LEU 79 7.300 -5.042 10.443 591 HD22 LEU 79 1HD2 LEU 79 8.469 -4.628 11.697 592 HD23 LEU 79 2HD2 LEU 79 8.942 -4.558 9.987 593 H THR 80 H THR 80 3.028 -3.088 10.990 594 HA THR 80 HA THR 80 2.353 -2.239 13.637 595 HB THR 80 HB THR 80 0.542 -2.782 11.270 596 HG1 THR 80 HG1 THR 80 2.112 -0.968 11.250 597 HG21 THR 80 3HG2 THR 80 -1.190 -1.544 12.504 598 HG22 THR 80 1HG2 THR 80 -0.124 -1.445 13.910 599 HG23 THR 80 2HG2 THR 80 -0.720 -3.013 13.352 600 HA PRO 81 HA PRO 81 1.425 -6.365 15.047 601 HB2 PRO 81 1HB PRO 81 0.547 -5.772 17.509 602 HB3 PRO 81 2HB PRO 81 2.268 -5.751 17.073 603 HG2 PRO 81 1HG PRO 81 0.346 -3.500 17.312 604 HG3 PRO 81 2HG PRO 81 2.045 -3.670 17.858 605 HD2 PRO 81 1HD PRO 81 1.311 -2.339 15.571 606 HD3 PRO 81 2HD PRO 81 2.888 -3.142 15.784 607 H ARG 82 H ARG 82 -0.107 -7.294 14.529 608 HA ARG 82 HA ARG 82 -2.850 -6.810 15.223 609 HE ARG 82 HE ARG 82 -3.781 -4.580 11.406 610 HB2 ARG 82 1HB ARG 82 -3.587 -7.034 12.745 611 HB3 ARG 82 2HB ARG 82 -3.028 -5.461 13.320 612 HG2 ARG 82 1HG ARG 82 -0.899 -5.795 12.273 613 HG3 ARG 82 2HG ARG 82 -1.343 -7.437 11.794 614 HD2 ARG 82 1HD ARG 82 -1.551 -5.859 9.928 615 HD3 ARG 82 2HD ARG 82 -3.086 -6.580 10.382 616 HH11 ARG 82 1HH1 ARG 82 -0.712 -4.056 9.634 617 HH12 ARG 82 2HH1 ARG 82 -0.998 -2.390 9.490 618 HH21 ARG 82 1HH2 ARG 82 -4.092 -2.266 11.113 619 HH22 ARG 82 2HH2 ARG 82 -2.907 -1.359 10.316 620 H SER 83 H SER 83 -4.282 -8.641 14.379 621 HA SER 83 HA SER 83 -2.950 -11.075 15.000 622 HG SER 83 HG SER 83 -4.606 -10.636 16.575 623 HB2 SER 83 1HB SER 83 -5.766 -10.607 14.002 624 HB3 SER 83 2HB SER 83 -5.155 -12.054 14.814 625 H GLU 84 H GLU 84 -3.646 -9.399 12.101 626 HA GLU 84 HA GLU 84 -3.232 -11.812 10.488 627 HB2 GLU 84 1HB GLU 84 -4.225 -9.095 9.709 628 HB3 GLU 84 2HB GLU 84 -4.163 -10.525 8.666 629 HG2 GLU 84 1HG GLU 84 -5.818 -11.595 10.114 630 HG3 GLU 84 2HG GLU 84 -5.878 -10.126 11.097 631 HA PRO 85 HA PRO 85 0.727 -10.242 9.392 632 HB2 PRO 85 1HB PRO 85 1.093 -11.141 6.853 633 HB3 PRO 85 2HB PRO 85 1.115 -12.211 8.270 634 HG2 PRO 85 1HG PRO 85 -1.074 -11.712 6.298 635 HG3 PRO 85 2HG PRO 85 -0.564 -13.239 7.049 636 HD2 PRO 85 1HD PRO 85 -2.726 -11.784 7.863 637 HD3 PRO 85 2HD PRO 85 -1.801 -12.857 8.936 638 H HIS 86 H HIS 86 -1.523 -9.748 6.684 639 HA HIS 86 HA HIS 86 -1.768 -8.085 5.103 640 HD2 HIS 86 HD2 HIS 86 -3.153 -8.472 8.176 641 HE1 HIS 86 HE1 HIS 86 -5.955 -5.551 6.977 642 HE2 HIS 86 HE2 HIS 86 -5.639 -7.708 8.287 643 HB2 HIS 86 1HB HIS 86 -0.973 -6.471 7.526 644 HB3 HIS 86 2HB HIS 86 -1.416 -5.711 5.986 645 H CYS 87 H CYS 87 0.418 -9.448 4.742 646 HA CYS 87 HA CYS 87 2.679 -7.696 4.865 647 HG CYS 87 HG CYS 87 1.657 -11.206 3.177 648 HB2 CYS 87 1HB CYS 87 3.957 -9.790 4.243 649 HB3 CYS 87 2HB CYS 87 3.174 -9.664 5.825 650 H LEU 88 H LEU 88 0.453 -8.008 2.696 651 HA LEU 88 HA LEU 88 2.137 -8.262 0.275 652 HG LEU 88 HG LEU 88 0.560 -10.885 1.440 653 HB2 LEU 88 1HB LEU 88 -0.622 -9.207 0.830 654 HB3 LEU 88 2HB LEU 88 -0.067 -9.141 -0.814 655 HD11 LEU 88 1HD1 LEU 88 0.299 -11.369 -1.492 656 HD12 LEU 88 2HD1 LEU 88 -0.978 -11.700 -0.276 657 HD13 LEU 88 3HD1 LEU 88 0.577 -12.604 -0.281 658 HD21 LEU 88 3HD2 LEU 88 2.543 -11.806 0.289 659 HD22 LEU 88 1HD2 LEU 88 2.721 -10.169 0.928 660 HD23 LEU 88 2HD2 LEU 88 2.448 -10.410 -0.797 661 H VAL 89 H VAL 89 2.422 -6.788 -0.793 662 HA VAL 89 HA VAL 89 0.277 -4.821 -0.968 663 HB VAL 89 HB VAL 89 1.895 -2.984 -0.884 664 HG11 VAL 89 1HG1 VAL 89 2.488 -3.023 1.498 665 HG12 VAL 89 2HG1 VAL 89 2.027 -4.725 1.555 666 HG13 VAL 89 3HG1 VAL 89 0.807 -3.487 1.207 667 HG21 VAL 89 3HG2 VAL 89 3.920 -5.059 -0.096 668 HG22 VAL 89 1HG2 VAL 89 4.202 -3.310 -0.188 669 HG23 VAL 89 2HG2 VAL 89 3.807 -4.244 -1.650 670 H LEU 90 H LEU 90 0.108 -3.972 -3.005 671 HA LEU 90 HA LEU 90 2.089 -4.902 -4.920 672 HG LEU 90 HG LEU 90 -1.101 -3.087 -4.830 673 HB2 LEU 90 1HB LEU 90 0.463 -4.773 -6.639 674 HB3 LEU 90 2HB LEU 90 -0.349 -5.525 -5.277 675 HD11 LEU 90 1HD1 LEU 90 -0.669 -3.141 -7.788 676 HD12 LEU 90 2HD1 LEU 90 0.188 -2.129 -6.642 677 HD13 LEU 90 3HD1 LEU 90 -1.549 -1.862 -6.935 678 HD21 LEU 90 3HD2 LEU 90 -2.319 -4.885 -6.915 679 HD22 LEU 90 1HD2 LEU 90 -3.137 -3.501 -6.187 680 HD23 LEU 90 2HD2 LEU 90 -2.656 -4.861 -5.177 681 H SER 91 H SER 91 2.812 -3.335 -6.496 682 HA SER 91 HA SER 91 3.129 -0.746 -5.241 683 HG SER 91 HG SER 91 3.420 -1.920 -8.279 684 HB2 SER 91 1HB SER 91 5.016 -0.531 -6.709 685 HB3 SER 91 2HB SER 91 4.948 -2.238 -6.224 686 H LEU 92 H LEU 92 2.165 1.081 -6.035 687 HA LEU 92 HA LEU 92 0.550 0.943 -8.435 688 HG LEU 92 HG LEU 92 -0.578 1.112 -5.851 689 HB2 LEU 92 1HB LEU 92 1.033 3.033 -6.322 690 HB3 LEU 92 2HB LEU 92 0.059 3.363 -7.759 691 HD11 LEU 92 1HD1 LEU 92 -2.220 2.498 -4.862 692 HD12 LEU 92 2HD1 LEU 92 -1.818 3.837 -5.937 693 HD13 LEU 92 3HD1 LEU 92 -0.661 3.315 -4.697 694 HD21 LEU 92 3HD2 LEU 92 -1.480 1.026 -8.143 695 HD22 LEU 92 1HD2 LEU 92 -2.161 2.631 -7.851 696 HD23 LEU 92 2HD2 LEU 92 -2.724 1.240 -6.904 697 H ASP 93 H ASP 93 3.515 0.877 -8.236 698 HA ASP 93 HA ASP 93 4.243 3.179 -9.893 699 HB2 ASP 93 1HB ASP 93 5.920 1.444 -8.070 700 HB3 ASP 93 2HB ASP 93 6.624 2.583 -9.221 701 H ASN 94 H ASN 94 5.271 -0.203 -9.425 702 HA ASN 94 HA ASN 94 5.843 -0.302 -12.319 703 HB2 ASN 94 1HB ASN 94 6.772 -2.107 -10.073 704 HB3 ASN 94 2HB ASN 94 7.164 -2.332 -11.779 705 HD21 ASN 94 1HD2 ASN 94 8.886 -2.024 -9.538 706 HD22 ASN 94 2HD2 ASN 94 9.876 -0.625 -9.842 707 H TRP 95 H TRP 95 3.576 -1.037 -10.130 708 HA TRP 95 HA TRP 95 1.993 -2.546 -9.774 709 HD1 TRP 95 HD1 TRP 95 1.810 -0.235 -13.290 710 HE1 TRP 95 HE1 TRP 95 -0.109 1.410 -12.829 711 HE3 TRP 95 HE3 TRP 95 -0.947 -3.066 -10.048 712 HZ2 TRP 95 HZ2 TRP 95 -2.465 1.513 -11.300 713 HZ3 TRP 95 HZ3 TRP 95 -3.024 -2.115 -9.133 714 HH2 TRP 95 HH2 TRP 95 -3.763 0.123 -9.746 715 HB2 TRP 95 1HB TRP 95 2.153 -2.811 -12.789 716 HB3 TRP 95 2HB TRP 95 0.923 -3.620 -11.825 717 H SER 96 H SER 96 4.131 -3.501 -8.782 718 HA SER 96 HA SER 96 4.273 -6.302 -9.620 719 HG SER 96 HG SER 96 7.302 -4.241 -9.260 720 HB2 SER 96 1HB SER 96 6.016 -4.820 -7.692 721 HB3 SER 96 2HB SER 96 6.310 -6.381 -8.456 722 H VAL 97 H VAL 97 4.658 -7.633 -7.544 723 HA VAL 97 HA VAL 97 3.047 -6.554 -5.361 724 HB VAL 97 HB VAL 97 3.283 -9.379 -6.435 725 HG11 VAL 97 1HG1 VAL 97 3.546 -9.330 -4.019 726 HG12 VAL 97 2HG1 VAL 97 2.071 -10.146 -4.599 727 HG13 VAL 97 3HG1 VAL 97 1.975 -8.502 -3.885 728 HG21 VAL 97 3HG2 VAL 97 1.580 -8.000 -7.403 729 HG22 VAL 97 1HG2 VAL 97 0.929 -7.659 -5.785 730 HG23 VAL 97 2HG2 VAL 97 0.951 -9.322 -6.410 731 H TRP 98 H TRP 98 3.905 -6.851 -3.317 732 HA TRP 98 HA TRP 98 6.586 -8.006 -3.199 733 HD1 TRP 98 HD1 TRP 98 7.127 -6.480 0.551 734 HE1 TRP 98 HE1 TRP 98 9.616 -6.927 0.933 735 HE3 TRP 98 HE3 TRP 98 8.744 -6.141 -4.278 736 HZ2 TRP 98 HZ2 TRP 98 11.916 -7.119 -0.581 737 HZ3 TRP 98 HZ3 TRP 98 11.114 -6.464 -4.749 738 HH2 TRP 98 HH2 TRP 98 12.710 -6.934 -2.938 739 HB2 TRP 98 1HB TRP 98 6.545 -5.382 -3.013 740 HB3 TRP 98 2HB TRP 98 5.735 -5.691 -1.480 741 H CYS 99 H CYS 99 6.936 -9.438 -1.459 742 HA CYS 99 HA CYS 99 4.744 -9.492 0.443 743 HB2 CYS 99 1HB CYS 99 4.503 -11.444 -0.846 744 HB3 CYS 99 2HB CYS 99 6.217 -11.856 -0.819 745 H TYR 100 H TYR 100 5.411 -8.928 2.292 746 HA TYR 100 HA TYR 100 8.173 -8.374 2.739 747 HD1 TYR 100 HD2 TYR 100 8.293 -5.996 3.211 748 HD2 TYR 100 HD1 TYR 100 4.309 -6.974 4.221 749 HE1 TYR 100 HE2 TYR 100 7.585 -3.803 2.379 750 HE2 TYR 100 HE1 TYR 100 3.547 -4.750 3.379 751 HH TYR 100 HH TYR 100 5.544 -2.753 1.506 752 HB2 TYR 100 1HB TYR 100 5.914 -8.438 4.717 753 HB3 TYR 100 2HB TYR 100 7.533 -7.805 5.022 754 H VAL 101 H VAL 101 6.199 -11.040 3.585 755 HA VAL 101 HA VAL 101 8.180 -12.060 5.453 756 HB VAL 101 HB VAL 101 5.823 -12.232 5.996 757 HG11 VAL 101 1HG1 VAL 101 4.829 -12.350 3.943 758 HG12 VAL 101 2HG1 VAL 101 4.448 -13.943 4.664 759 HG13 VAL 101 3HG1 VAL 101 5.780 -13.728 3.492 760 HG21 VAL 101 3HG2 VAL 101 7.252 -13.938 6.988 761 HG22 VAL 101 1HG2 VAL 101 7.055 -14.961 5.565 762 HG23 VAL 101 2HG2 VAL 101 5.675 -14.632 6.609 763 H CYS 102 H CYS 102 7.635 -12.220 2.137 764 HA CYS 102 HA CYS 102 9.190 -14.685 1.842 765 HB2 CYS 102 1HB CYS 102 7.634 -12.936 0.003 766 HB3 CYS 102 2HB CYS 102 8.983 -13.867 -0.643 767 H ASP 103 H ASP 103 9.125 -11.324 1.653 768 HA ASP 103 HA ASP 103 10.557 -9.672 1.335 769 HB2 ASP 103 1HB ASP 103 11.674 -10.589 3.258 770 HB3 ASP 103 2HB ASP 103 12.633 -11.690 2.254 771 H ASN 104 H ASN 104 9.723 -10.521 -0.957 772 HA ASN 104 HA ASN 104 11.861 -9.862 -2.610 773 HB2 ASN 104 1HB ASN 104 11.788 -11.805 -3.991 774 HB3 ASN 104 2HB ASN 104 11.999 -12.336 -2.299 775 HD21 ASN 104 1HD2 ASN 104 9.797 -12.025 -4.872 776 HD22 ASN 104 2HD2 ASN 104 8.492 -12.888 -4.174 777 H GLU 105 H GLU 105 10.792 -10.013 -4.914 778 HA GLU 105 HA GLU 105 8.322 -8.574 -4.897 779 HB2 GLU 105 1HB GLU 105 10.335 -8.076 -6.107 780 HB3 GLU 105 2HB GLU 105 10.052 -9.469 -7.144 781 HG2 GLU 105 1HG GLU 105 8.063 -8.629 -7.990 782 HG3 GLU 105 2HG GLU 105 8.024 -7.339 -6.777 783 H VAL 106 H VAL 106 6.427 -9.613 -5.389 784 HA VAL 106 HA VAL 106 6.580 -12.444 -5.843 785 HB VAL 106 HB VAL 106 4.033 -10.872 -5.237 786 HG11 VAL 106 1HG1 VAL 106 3.580 -13.074 -6.161 787 HG12 VAL 106 2HG1 VAL 106 3.198 -13.035 -4.441 788 HG13 VAL 106 3HG1 VAL 106 4.682 -13.807 -4.997 789 HG21 VAL 106 3HG2 VAL 106 5.712 -10.571 -3.505 790 HG22 VAL 106 1HG2 VAL 106 5.929 -12.320 -3.432 791 HG23 VAL 106 2HG2 VAL 106 4.388 -11.606 -2.947 792 H GLN 107 H GLN 107 5.034 -13.495 -7.252 793 HA GLN 107 HA GLN 107 5.179 -12.432 -9.906 794 HB2 GLN 107 1HB GLN 107 5.866 -14.755 -10.445 795 HB3 GLN 107 2HB GLN 107 7.022 -13.951 -9.374 796 HG2 GLN 107 1HG GLN 107 5.548 -15.169 -7.494 797 HG3 GLN 107 2HG GLN 107 5.198 -16.242 -8.836 798 HE21 GLN 107 1HE2 GLN 107 7.568 -15.023 -6.679 799 HE22 GLN 107 2HE2 GLN 107 8.796 -16.187 -7.011 800 H TYR 108 H TYR 108 3.491 -13.035 -11.005 801 HA TYR 108 HA TYR 108 1.342 -14.809 -10.233 802 HD1 TYR 108 HD2 TYR 108 2.412 -11.362 -8.346 803 HD2 TYR 108 HD1 TYR 108 -0.486 -11.128 -11.436 804 HE1 TYR 108 HE2 TYR 108 2.933 -9.066 -8.608 805 HE2 TYR 108 HE1 TYR 108 0.006 -8.765 -11.734 806 HH TYR 108 HH TYR 108 1.034 -6.905 -10.513 807 HB2 TYR 108 1HB TYR 108 -0.385 -13.038 -9.972 808 HB3 TYR 108 2HB TYR 108 0.783 -13.113 -8.645 809 H CYS 109 H CYS 109 -0.528 -14.551 -11.616 810 HA CYS 109 HA CYS 109 -0.237 -13.043 -14.026 811 HG CYS 109 HG CYS 109 0.370 -17.494 -13.632 812 HB2 CYS 109 1HB CYS 109 -0.749 -15.077 -15.396 813 HB3 CYS 109 2HB CYS 109 0.826 -15.197 -14.600 814 H SER 110 H SER 110 -2.507 -13.329 -15.158 815 HA SER 110 HA SER 110 -4.412 -12.742 -13.167 816 HG SER 110 HG SER 110 -4.778 -10.667 -15.693 817 HB2 SER 110 1HB SER 110 -4.831 -13.187 -16.127 818 HB3 SER 110 2HB SER 110 -5.924 -12.346 -15.021 819 H SER 111 H SER 111 -3.427 -15.695 -14.454 820 HA SER 111 HA SER 111 -5.828 -17.167 -14.061 821 HG SER 111 HG SER 111 -3.651 -20.000 -13.743 822 HB2 SER 111 1HB SER 111 -3.945 -18.025 -15.427 823 HB3 SER 111 2HB SER 111 -2.928 -18.077 -13.980 824 H ASN 112 H ASN 112 -3.101 -16.280 -12.057 825 HA ASN 112 HA ASN 112 -3.918 -17.781 -9.726 826 HB2 ASN 112 1HB ASN 112 -1.772 -15.669 -10.131 827 HB3 ASN 112 2HB ASN 112 -2.048 -16.517 -8.605 828 HD21 ASN 112 1HD2 ASN 112 0.083 -17.356 -8.674 829 HD22 ASN 112 2HD2 ASN 112 0.469 -18.647 -9.771 830 H GLN 113 H GLN 113 -4.730 -16.882 -7.806 831 HA GLN 113 HA GLN 113 -6.714 -14.927 -8.061 832 HB2 GLN 113 1HB GLN 113 -6.473 -16.697 -6.238 833 HB3 GLN 113 2HB GLN 113 -5.323 -15.598 -5.483 834 HG2 GLN 113 1HG GLN 113 -7.003 -13.938 -5.234 835 HG3 GLN 113 2HG GLN 113 -8.210 -14.922 -6.055 836 HE21 GLN 113 1HE2 GLN 113 -8.494 -13.917 -3.550 837 HE22 GLN 113 2HE2 GLN 113 -8.481 -15.139 -2.324 838 H LEU 114 H LEU 114 -3.279 -14.617 -7.135 839 HA LEU 114 HA LEU 114 -3.398 -12.016 -6.046 840 HG LEU 114 HG LEU 114 -0.484 -11.354 -7.120 841 HB2 LEU 114 1HB LEU 114 -1.652 -13.697 -5.632 842 HB3 LEU 114 2HB LEU 114 -1.236 -13.653 -7.344 843 HD11 LEU 114 1HD1 LEU 114 -1.998 -10.603 -5.404 844 HD12 LEU 114 2HD1 LEU 114 -0.323 -10.328 -4.898 845 HD13 LEU 114 3HD1 LEU 114 -1.243 -11.679 -4.224 846 HD21 LEU 114 3HD2 LEU 114 0.663 -13.086 -4.964 847 HD22 LEU 114 1HD2 LEU 114 1.464 -11.760 -5.788 848 HD23 LEU 114 2HD2 LEU 114 1.050 -13.235 -6.671 849 H GLY 115 H GLY 115 -2.918 -13.374 -9.216 850 HA2 GLY 115 1HA GLY 115 -2.318 -10.836 -10.423 851 HA3 GLY 115 2HA GLY 115 -2.720 -12.320 -11.301 852 H GLN 116 H GLN 116 -5.306 -12.897 -10.119 853 HA GLN 116 HA GLN 116 -7.020 -11.404 -11.619 854 HB2 GLN 116 1HB GLN 116 -7.601 -12.790 -9.001 855 HB3 GLN 116 2HB GLN 116 -8.775 -12.410 -10.260 856 HG2 GLN 116 1HG GLN 116 -7.440 -13.843 -11.746 857 HG3 GLN 116 2HG GLN 116 -6.565 -14.375 -10.316 858 HE21 GLN 116 1HE2 GLN 116 -7.281 -16.428 -10.482 859 HE22 GLN 116 2HE2 GLN 116 -8.893 -16.918 -10.035 860 H VAL 117 H VAL 117 -5.886 -10.955 -8.351 861 HA VAL 117 HA VAL 117 -7.874 -9.058 -7.959 862 HB VAL 117 HB VAL 117 -5.803 -10.156 -6.140 863 HG11 VAL 117 1HG1 VAL 117 -6.232 -8.467 -4.452 864 HG12 VAL 117 2HG1 VAL 117 -7.295 -7.604 -5.595 865 HG13 VAL 117 3HG1 VAL 117 -5.556 -7.693 -5.908 866 HG21 VAL 117 3HG2 VAL 117 -8.665 -9.414 -5.907 867 HG22 VAL 117 1HG2 VAL 117 -7.731 -10.306 -4.708 868 HG23 VAL 117 2HG2 VAL 117 -8.023 -11.028 -6.316 869 H VAL 118 H VAL 118 -4.294 -8.957 -8.375 870 HA VAL 118 HA VAL 118 -3.922 -6.229 -8.412 871 HB VAL 118 HB VAL 118 -2.632 -8.361 -10.103 872 HG11 VAL 118 1HG1 VAL 118 -1.722 -5.478 -9.721 873 HG12 VAL 118 2HG1 VAL 118 -2.336 -6.164 -11.223 874 HG13 VAL 118 3HG1 VAL 118 -0.802 -6.727 -10.564 875 HG21 VAL 118 3HG2 VAL 118 -1.659 -6.858 -7.707 876 HG22 VAL 118 1HG2 VAL 118 -0.755 -8.092 -8.577 877 HG23 VAL 118 2HG2 VAL 118 -2.238 -8.538 -7.704 878 H ASP 119 H ASP 119 -5.260 -8.273 -10.896 879 HA ASP 119 HA ASP 119 -5.276 -6.341 -13.004 880 HB2 ASP 119 1HB ASP 119 -5.443 -8.733 -13.490 881 HB3 ASP 119 2HB ASP 119 -6.872 -8.856 -12.467 882 H TYR 120 H TYR 120 -7.531 -7.404 -10.580 883 HA TYR 120 HA TYR 120 -9.693 -5.724 -11.462 884 HD1 TYR 120 HD2 TYR 120 -12.327 -5.630 -9.792 885 HD2 TYR 120 HD1 TYR 120 -9.191 -6.483 -7.065 886 HE1 TYR 120 HE2 TYR 120 -13.501 -4.380 -8.041 887 HE2 TYR 120 HE1 TYR 120 -10.305 -5.277 -5.334 888 HH TYR 120 HH TYR 120 -11.943 -3.475 -5.141 889 HB2 TYR 120 1HB TYR 120 -10.595 -7.470 -10.175 890 HB3 TYR 120 2HB TYR 120 -9.188 -7.507 -9.103 891 H VAL 121 H VAL 121 -7.197 -5.412 -9.033 892 HA VAL 121 HA VAL 121 -8.234 -2.976 -8.001 893 HB VAL 121 HB VAL 121 -5.508 -4.305 -7.707 894 HG11 VAL 121 1HG1 VAL 121 -5.188 -2.882 -5.784 895 HG12 VAL 121 2HG1 VAL 121 -6.716 -2.069 -6.142 896 HG13 VAL 121 3HG1 VAL 121 -5.356 -1.928 -7.262 897 HG21 VAL 121 3HG2 VAL 121 -7.216 -5.667 -6.768 898 HG22 VAL 121 1HG2 VAL 121 -7.914 -4.290 -5.919 899 HG23 VAL 121 2HG2 VAL 121 -6.325 -4.899 -5.450 900 H ARG 122 H ARG 122 -6.081 -3.890 -10.528 901 HA ARG 122 HA ARG 122 -5.105 -1.273 -10.995 902 HE ARG 122 HE ARG 122 -4.060 -3.957 -14.884 903 HB2 ARG 122 1HB ARG 122 -4.081 -3.416 -11.878 904 HB3 ARG 122 2HB ARG 122 -5.398 -3.434 -13.063 905 HG2 ARG 122 1HG ARG 122 -4.659 -1.511 -14.103 906 HG3 ARG 122 2HG ARG 122 -3.716 -1.032 -12.693 907 HD2 ARG 122 1HD ARG 122 -2.150 -1.804 -14.352 908 HD3 ARG 122 2HD ARG 122 -2.296 -3.072 -13.139 909 HH11 ARG 122 1HH1 ARG 122 -0.906 -2.482 -15.612 910 HH12 ARG 122 2HH1 ARG 122 -0.598 -3.488 -16.933 911 HH21 ARG 122 1HH2 ARG 122 -3.632 -5.299 -16.723 912 HH22 ARG 122 2HH2 ARG 122 -2.181 -5.113 -17.598 913 H LYS 123 H LYS 123 -7.992 -3.096 -12.095 914 HA LYS 123 HA LYS 123 -8.939 -1.113 -13.804 915 HB2 LYS 123 1HB LYS 123 -10.402 -3.117 -12.081 916 HB3 LYS 123 2HB LYS 123 -11.130 -2.173 -13.364 917 HG2 LYS 123 1HG LYS 123 -8.964 -4.226 -13.700 918 HG3 LYS 123 2HG LYS 123 -10.699 -4.438 -14.027 919 HD2 LYS 123 1HD LYS 123 -10.565 -2.598 -15.626 920 HD3 LYS 123 2HD LYS 123 -8.816 -2.536 -15.360 921 HE2 LYS 123 1HE LYS 123 -8.592 -4.824 -16.164 922 HE3 LYS 123 2HE LYS 123 -10.335 -4.929 -16.398 923 HZ1 LYS 123 3HZ LYS 123 -10.128 -3.112 -18.051 924 HZ2 LYS 123 1HZ LYS 123 -9.269 -4.496 -18.472 925 HZ3 LYS 123 2HZ LYS 123 -8.457 -3.162 -17.862 926 H GLN 124 H GLN 124 -8.803 -1.424 -10.388 927 HA GLN 124 HA GLN 124 -11.007 0.287 -9.878 928 HB2 GLN 124 1HB GLN 124 -8.799 -0.462 -7.999 929 HB3 GLN 124 2HB GLN 124 -10.166 0.559 -7.539 930 HG2 GLN 124 1HG GLN 124 -10.031 -2.368 -7.950 931 HG3 GLN 124 2HG GLN 124 -11.004 -1.357 -6.871 932 HE21 GLN 124 1HE2 GLN 124 -10.718 -2.786 -9.872 933 HE22 GLN 124 2HE2 GLN 124 -12.338 -2.653 -10.397 934 H ALA 125 H ALA 125 -7.548 0.608 -9.730 935 HA ALA 125 HA ALA 125 -7.465 3.394 -9.118 936 HB1 ALA 125 3HB ALA 125 -5.106 3.174 -9.344 937 HB2 ALA 125 1HB ALA 125 -5.284 1.621 -10.202 938 HB3 ALA 125 2HB ALA 125 -5.773 1.771 -8.506 939 H SER 126 H SER 126 -7.144 1.524 -12.059 940 HA SER 126 HA SER 126 -6.651 3.738 -13.756 941 HG SER 126 HG SER 126 -6.866 3.202 -15.949 942 HB2 SER 126 1HB SER 126 -6.238 1.315 -14.362 943 HB3 SER 126 2HB SER 126 -7.976 1.107 -14.521 Start of MODEL 14 1 HA PRO 5 HA PRO 5 6.885 -22.794 -4.440 2 HB2 PRO 5 1HB PRO 5 9.026 -21.493 -5.251 3 HB3 PRO 5 2HB PRO 5 9.148 -23.093 -4.489 4 HG2 PRO 5 1HG PRO 5 9.224 -22.429 -7.436 5 HG3 PRO 5 2HG PRO 5 10.213 -23.621 -6.538 6 HD2 PRO 5 1HD PRO 5 8.044 -24.126 -8.054 7 HD3 PRO 5 2HD PRO 5 8.504 -25.166 -6.665 8 H VAL 6 H VAL 6 6.374 -20.792 -4.144 9 HA VAL 6 HA VAL 6 6.097 -18.676 -5.936 10 HB VAL 6 HB VAL 6 4.547 -20.394 -6.990 11 HG11 VAL 6 1HG1 VAL 6 3.712 -21.524 -5.076 12 HG12 VAL 6 2HG1 VAL 6 2.362 -20.853 -5.991 13 HG13 VAL 6 3HG1 VAL 6 2.903 -20.064 -4.509 14 HG21 VAL 6 3HG2 VAL 6 4.249 -17.932 -7.247 15 HG22 VAL 6 1HG2 VAL 6 2.981 -18.029 -6.025 16 HG23 VAL 6 2HG2 VAL 6 2.793 -18.905 -7.549 17 H CYS 7 H CYS 7 4.022 -17.304 -4.821 18 HA CYS 7 HA CYS 7 4.622 -17.215 -2.027 19 HB2 CYS 7 1HB CYS 7 4.193 -15.128 -3.335 20 HB3 CYS 7 2HB CYS 7 2.568 -15.726 -3.659 21 H ARG 8 H ARG 8 3.428 -18.412 -0.623 22 HA ARG 8 HA ARG 8 1.014 -19.689 -1.646 23 HE ARG 8 HE ARG 8 2.561 -22.426 -1.829 24 HB2 ARG 8 1HB ARG 8 2.940 -21.015 -0.707 25 HB3 ARG 8 2HB ARG 8 2.527 -20.326 0.870 26 HG2 ARG 8 1HG ARG 8 1.506 -22.507 0.664 27 HG3 ARG 8 2HG ARG 8 0.295 -21.196 0.625 28 HD2 ARG 8 1HD ARG 8 -0.164 -22.933 -1.066 29 HD3 ARG 8 2HD ARG 8 0.114 -21.311 -1.716 30 HH11 ARG 8 1HH1 ARG 8 -0.565 -23.522 -3.097 31 HH12 ARG 8 2HH1 ARG 8 0.116 -24.381 -4.393 32 HH21 ARG 8 1HH2 ARG 8 3.478 -23.553 -3.595 33 HH22 ARG 8 2HH2 ARG 8 2.497 -24.409 -4.687 34 H HIS 9 H HIS 9 1.645 -16.976 -0.380 35 HA HIS 9 HA HIS 9 -0.066 -16.971 2.045 36 HD2 HIS 9 HD2 HIS 9 1.981 -17.248 4.105 37 HE1 HIS 9 HE1 HIS 9 5.793 -16.821 2.325 38 HE2 HIS 9 HE2 HIS 9 4.481 -17.931 4.199 39 HB2 HIS 9 1HB HIS 9 1.801 -14.813 1.003 40 HB3 HIS 9 2HB HIS 9 1.002 -14.862 2.581 41 H ILE 10 H ILE 10 -0.840 -17.144 -0.752 42 HA ILE 10 HA ILE 10 -1.524 -14.831 -1.980 43 HB ILE 10 HB ILE 10 -2.940 -17.491 -2.130 44 HG12 ILE 10 1HG1 ILE 10 -0.508 -17.610 -2.608 45 HG13 ILE 10 2HG1 ILE 10 -1.458 -17.851 -4.093 46 HG21 ILE 10 1HG2 ILE 10 -2.938 -15.184 -4.087 47 HG22 ILE 10 2HG2 ILE 10 -4.305 -15.689 -3.102 48 HG23 ILE 10 3HG2 ILE 10 -3.674 -16.764 -4.356 49 HD11 ILE 10 3HD1 ILE 10 0.487 -16.505 -4.433 50 HD12 ILE 10 1HD1 ILE 10 -0.031 -15.421 -3.145 51 HD13 ILE 10 2HD1 ILE 10 -0.967 -15.495 -4.648 52 H ARG 11 H ARG 11 -3.458 -16.960 0.013 53 HA ARG 11 HA ARG 11 -5.774 -15.225 0.023 54 HE ARG 11 HE ARG 11 -5.313 -19.538 1.640 55 HB2 ARG 11 1HB ARG 11 -5.200 -17.662 1.663 56 HB3 ARG 11 2HB ARG 11 -6.761 -16.866 1.535 57 HG2 ARG 11 1HG ARG 11 -6.873 -17.410 -0.831 58 HG3 ARG 11 2HG ARG 11 -5.272 -18.160 -0.738 59 HD2 ARG 11 1HD ARG 11 -7.744 -19.073 0.739 60 HD3 ARG 11 2HD ARG 11 -7.027 -19.837 -0.683 61 HH11 ARG 11 1HH1 ARG 11 -7.446 -21.726 -0.165 62 HH12 ARG 11 2HH1 ARG 11 -6.748 -23.144 0.455 63 HH21 ARG 11 1HH2 ARG 11 -4.356 -21.485 2.507 64 HH22 ARG 11 2HH2 ARG 11 -4.936 -22.993 2.035 65 H LYS 12 H LYS 12 -3.190 -16.053 2.203 66 HA LYS 12 HA LYS 12 -4.302 -14.867 4.432 67 HB2 LYS 12 1HB LYS 12 -1.492 -15.609 3.798 68 HB3 LYS 12 2HB LYS 12 -1.900 -14.808 5.310 69 HG2 LYS 12 1HG LYS 12 -3.512 -16.624 5.787 70 HG3 LYS 12 2HG LYS 12 -2.943 -17.446 4.322 71 HD2 LYS 12 1HD LYS 12 -1.198 -16.679 6.660 72 HD3 LYS 12 2HD LYS 12 -1.899 -18.283 6.422 73 HE2 LYS 12 1HE LYS 12 -0.709 -18.496 4.321 74 HE3 LYS 12 2HE LYS 12 -0.037 -16.879 4.519 75 HZ1 LYS 12 3HZ LYS 12 0.451 -19.132 6.389 76 HZ2 LYS 12 1HZ LYS 12 1.193 -17.623 6.428 77 HZ3 LYS 12 2HZ LYS 12 1.493 -18.695 5.164 78 H GLY 13 H GLY 13 -2.500 -13.569 1.810 79 HA2 GLY 13 1HA GLY 13 -2.188 -10.952 3.169 80 HA3 GLY 13 2HA GLY 13 -1.183 -11.545 1.879 81 H LEU 14 H LEU 14 -4.172 -12.459 0.970 82 HA LEU 14 HA LEU 14 -4.846 -9.847 -0.105 83 HG LEU 14 HG LEU 14 -5.103 -9.714 -2.646 84 HB2 LEU 14 1HB LEU 14 -3.513 -11.292 -1.642 85 HB3 LEU 14 2HB LEU 14 -4.810 -12.472 -1.558 86 HD11 LEU 14 1HD1 LEU 14 -4.606 -12.341 -4.029 87 HD12 LEU 14 2HD1 LEU 14 -3.421 -11.062 -3.809 88 HD13 LEU 14 3HD1 LEU 14 -4.831 -10.783 -4.839 89 HD21 LEU 14 3HD2 LEU 14 -6.973 -10.835 -3.884 90 HD22 LEU 14 1HD2 LEU 14 -7.259 -10.646 -2.136 91 HD23 LEU 14 2HD2 LEU 14 -6.757 -12.202 -2.806 92 H GLU 15 H GLU 15 -6.870 -9.441 0.505 93 HA GLU 15 HA GLU 15 -8.435 -11.765 1.225 94 HB2 GLU 15 1HB GLU 15 -7.608 -9.775 2.950 95 HB3 GLU 15 2HB GLU 15 -9.169 -9.233 2.456 96 HG2 GLU 15 1HG GLU 15 -8.802 -10.681 4.564 97 HG3 GLU 15 2HG GLU 15 -10.271 -10.649 3.611 98 H GLN 16 H GLN 16 -9.769 -11.802 -0.692 99 HA GLN 16 HA GLN 16 -10.208 -9.690 -2.370 100 HB2 GLN 16 1HB GLN 16 -12.112 -12.003 -2.213 101 HB3 GLN 16 2HB GLN 16 -11.728 -10.926 -3.556 102 HG2 GLN 16 1HG GLN 16 -9.478 -11.847 -3.681 103 HG3 GLN 16 2HG GLN 16 -9.865 -12.954 -2.350 104 HE21 GLN 16 1HE2 GLN 16 -9.594 -14.815 -3.561 105 HE22 GLN 16 2HE2 GLN 16 -10.679 -15.273 -4.830 106 H GLY 17 H GLY 17 -12.359 -10.986 0.158 107 HA2 GLY 17 1HA GLY 17 -14.717 -9.649 -0.470 108 HA3 GLY 17 2HA GLY 17 -14.270 -10.244 1.132 109 H ASN 18 H ASN 18 -12.284 -8.677 1.949 110 HA ASN 18 HA ASN 18 -13.688 -6.206 2.269 111 HB2 ASN 18 1HB ASN 18 -11.627 -5.597 3.766 112 HB3 ASN 18 2HB ASN 18 -12.748 -6.844 4.336 113 HD21 ASN 18 1HD2 ASN 18 -9.674 -6.025 3.190 114 HD22 ASN 18 2HD2 ASN 18 -8.908 -7.537 3.538 115 H LEU 19 H LEU 19 -11.150 -7.241 0.274 116 HA LEU 19 HA LEU 19 -9.839 -4.871 -0.414 117 HG LEU 19 HG LEU 19 -8.335 -7.842 -1.960 118 HB2 LEU 19 1HB LEU 19 -10.493 -7.380 -1.844 119 HB3 LEU 19 2HB LEU 19 -9.989 -5.995 -2.807 120 HD11 LEU 19 1HD1 LEU 19 -7.798 -4.883 -2.038 121 HD12 LEU 19 2HD1 LEU 19 -7.702 -6.049 -3.385 122 HD13 LEU 19 3HD1 LEU 19 -6.539 -6.130 -2.035 123 HD21 LEU 19 3HD2 LEU 19 -7.101 -7.168 -0.042 124 HD22 LEU 19 1HD2 LEU 19 -8.785 -7.458 0.378 125 HD23 LEU 19 2HD2 LEU 19 -8.185 -5.790 0.225 126 H LYS 20 H LYS 20 -12.873 -6.192 -1.853 127 HA LYS 20 HA LYS 20 -13.321 -4.115 -3.725 128 HB2 LYS 20 1HB LYS 20 -15.463 -5.568 -2.203 129 HB3 LYS 20 2HB LYS 20 -15.485 -5.053 -3.878 130 HG2 LYS 20 1HG LYS 20 -13.828 -7.358 -2.822 131 HG3 LYS 20 2HG LYS 20 -15.431 -7.501 -3.548 132 HD2 LYS 20 1HD LYS 20 -13.061 -6.339 -4.916 133 HD3 LYS 20 2HD LYS 20 -13.504 -8.052 -5.016 134 HE2 LYS 20 1HE LYS 20 -15.786 -7.274 -5.837 135 HE3 LYS 20 2HE LYS 20 -15.067 -5.662 -6.001 136 HZ1 LYS 20 3HZ LYS 20 -14.215 -8.136 -7.402 137 HZ2 LYS 20 1HZ LYS 20 -13.455 -6.653 -7.569 138 HZ3 LYS 20 2HZ LYS 20 -15.030 -6.862 -8.096 139 H LYS 21 H LYS 21 -14.062 -4.248 -0.264 140 HA LYS 21 HA LYS 21 -15.837 -2.001 -0.537 141 HB2 LYS 21 1HB LYS 21 -14.746 -3.416 1.872 142 HB3 LYS 21 2HB LYS 21 -16.098 -2.288 1.842 143 HG2 LYS 21 1HG LYS 21 -17.452 -3.781 0.628 144 HG3 LYS 21 2HG LYS 21 -16.076 -4.843 0.270 145 HD2 LYS 21 1HD LYS 21 -17.383 -5.843 1.988 146 HD3 LYS 21 2HD LYS 21 -15.832 -5.245 2.605 147 HE2 LYS 21 1HE LYS 21 -16.904 -3.292 3.573 148 HE3 LYS 21 2HE LYS 21 -18.445 -3.731 2.846 149 HZ1 LYS 21 3HZ LYS 21 -17.036 -5.284 4.949 150 HZ2 LYS 21 1HZ LYS 21 -18.537 -5.663 4.288 151 HZ3 LYS 21 2HZ LYS 21 -18.329 -4.254 5.205 152 H ALA 22 H ALA 22 -12.483 -2.627 0.217 153 HA ALA 22 HA ALA 22 -12.098 -0.134 1.564 154 HB1 ALA 22 3HB ALA 22 -10.114 -2.094 0.456 155 HB2 ALA 22 1HB ALA 22 -10.775 -2.124 2.088 156 HB3 ALA 22 2HB ALA 22 -9.770 -0.767 1.567 157 H LEU 23 H LEU 23 -11.578 -1.438 -1.653 158 HA LEU 23 HA LEU 23 -10.143 0.921 -2.501 159 HG LEU 23 HG LEU 23 -10.312 -2.502 -3.093 160 HB2 LEU 23 1HB LEU 23 -11.467 -0.990 -4.378 161 HB3 LEU 23 2HB LEU 23 -10.038 0.000 -4.651 162 HD11 LEU 23 1HD1 LEU 23 -8.533 -3.323 -4.484 163 HD12 LEU 23 2HD1 LEU 23 -8.583 -1.819 -5.410 164 HD13 LEU 23 3HD1 LEU 23 -9.991 -2.889 -5.372 165 HD21 LEU 23 3HD2 LEU 23 -8.004 -2.396 -2.344 166 HD22 LEU 23 1HD2 LEU 23 -8.929 -1.052 -1.711 167 HD23 LEU 23 2HD2 LEU 23 -7.808 -0.793 -3.067 168 H VAL 24 H VAL 24 -13.390 0.140 -2.151 169 HA VAL 24 HA VAL 24 -14.579 2.018 -3.847 170 HB VAL 24 HB VAL 24 -15.339 1.281 -1.009 171 HG11 VAL 24 1HG1 VAL 24 -17.538 2.277 -1.484 172 HG12 VAL 24 2HG1 VAL 24 -16.919 2.819 -3.062 173 HG13 VAL 24 3HG1 VAL 24 -16.201 3.435 -1.572 174 HG21 VAL 24 3HG2 VAL 24 -15.426 -0.553 -2.562 175 HG22 VAL 24 1HG2 VAL 24 -16.426 0.390 -3.669 176 HG23 VAL 24 2HG2 VAL 24 -17.058 -0.077 -2.083 177 H ASN 25 H ASN 25 -12.931 2.381 -0.781 178 HA ASN 25 HA ASN 25 -13.617 5.232 -0.630 179 HB2 ASN 25 1HB ASN 25 -12.754 3.226 1.423 180 HB3 ASN 25 2HB ASN 25 -12.920 4.959 1.762 181 HD21 ASN 25 1HD2 ASN 25 -14.551 1.911 1.216 182 HD22 ASN 25 2HD2 ASN 25 -16.126 2.511 1.617 183 H VAL 26 H VAL 26 -11.319 3.829 -2.111 184 HA VAL 26 HA VAL 26 -9.020 4.924 -0.656 185 HB VAL 26 HB VAL 26 -7.583 3.996 -2.486 186 HG11 VAL 26 1HG1 VAL 26 -9.375 2.117 -1.054 187 HG12 VAL 26 2HG1 VAL 26 -7.807 2.784 -0.515 188 HG13 VAL 26 3HG1 VAL 26 -7.887 1.700 -1.920 189 HG21 VAL 26 3HG2 VAL 26 -9.154 3.999 -4.265 190 HG22 VAL 26 1HG2 VAL 26 -10.161 2.825 -3.419 191 HG23 VAL 26 2HG2 VAL 26 -8.550 2.367 -3.976 192 H GLU 27 H GLU 27 -7.784 6.513 -1.179 193 HA GLU 27 HA GLU 27 -8.216 7.918 -3.674 194 HB2 GLU 27 1HB GLU 27 -6.304 9.310 -2.739 195 HB3 GLU 27 2HB GLU 27 -7.901 9.654 -2.118 196 HG2 GLU 27 1HG GLU 27 -5.940 7.808 -0.838 197 HG3 GLU 27 2HG GLU 27 -5.982 9.567 -0.617 198 H TRP 28 H TRP 28 -7.394 6.760 -4.977 199 HA TRP 28 HA TRP 28 -5.159 5.135 -4.859 200 HD1 TRP 28 HD1 TRP 28 -8.635 4.778 -7.224 201 HE1 TRP 28 HE1 TRP 28 -9.142 2.290 -6.759 202 HE3 TRP 28 HE3 TRP 28 -4.060 3.339 -5.662 203 HZ2 TRP 28 HZ2 TRP 28 -7.762 0.073 -5.895 204 HZ3 TRP 28 HZ3 TRP 28 -3.728 1.003 -4.995 205 HH2 TRP 28 HH2 TRP 28 -5.545 -0.584 -5.102 206 HB2 TRP 28 1HB TRP 28 -6.652 6.285 -7.047 207 HB3 TRP 28 2HB TRP 28 -5.185 5.408 -7.472 208 H ASN 29 H ASN 29 -3.233 5.251 -4.845 209 HA ASN 29 HA ASN 29 -1.138 5.790 -4.944 210 HB2 ASN 29 1HB ASN 29 -1.820 6.334 -7.243 211 HB3 ASN 29 2HB ASN 29 -1.753 8.045 -6.847 212 HD21 ASN 29 1HD2 ASN 29 0.069 5.197 -7.272 213 HD22 ASN 29 2HD2 ASN 29 1.616 5.986 -7.298 214 H ILE 30 H ILE 30 -3.136 7.020 -3.237 215 HA ILE 30 HA ILE 30 -1.291 8.998 -2.130 216 HB ILE 30 HB ILE 30 -4.300 8.927 -1.739 217 HG12 ILE 30 1HG1 ILE 30 -2.562 10.921 -3.210 218 HG13 ILE 30 2HG1 ILE 30 -3.774 9.849 -3.925 219 HG21 ILE 30 1HG2 ILE 30 -2.257 10.852 -0.585 220 HG22 ILE 30 2HG2 ILE 30 -3.163 9.634 0.311 221 HG23 ILE 30 3HG2 ILE 30 -4.004 11.001 -0.398 222 HD11 ILE 30 3HD1 ILE 30 -5.512 11.115 -2.731 223 HD12 ILE 30 1HD1 ILE 30 -4.540 12.139 -3.790 224 HD13 ILE 30 2HD1 ILE 30 -4.255 12.143 -2.052 225 H CYS 31 H CYS 31 -0.233 7.788 -0.781 226 HA CYS 31 HA CYS 31 -1.183 5.735 0.806 227 HB2 CYS 31 1HB CYS 31 1.130 5.988 0.985 228 HB3 CYS 31 2HB CYS 31 1.128 7.666 1.459 229 H GLN 32 H GLN 32 -2.923 5.768 1.688 230 HA GLN 32 HA GLN 32 -4.467 7.860 2.779 231 HB2 GLN 32 1HB GLN 32 -4.603 5.040 3.807 232 HB3 GLN 32 2HB GLN 32 -5.933 6.179 3.587 233 HG2 GLN 32 1HG GLN 32 -5.465 6.086 1.198 234 HG3 GLN 32 2HG GLN 32 -4.412 4.710 1.537 235 HE21 GLN 32 1HE2 GLN 32 -7.631 5.824 1.498 236 HE22 GLN 32 2HE2 GLN 32 -8.396 4.296 1.816 237 H ASP 33 H ASP 33 -2.185 5.735 4.121 238 HA ASP 33 HA ASP 33 -2.646 6.610 6.806 239 HB2 ASP 33 1HB ASP 33 -1.526 4.407 6.203 240 HB3 ASP 33 2HB ASP 33 -0.044 5.347 5.950 241 H CYS 34 H CYS 34 -0.979 8.213 4.175 242 HA CYS 34 HA CYS 34 0.528 9.818 5.889 243 HB2 CYS 34 1HB CYS 34 0.025 9.485 3.033 244 HB3 CYS 34 2HB CYS 34 0.395 11.113 3.559 245 H LYS 35 H LYS 35 -2.636 9.710 4.452 246 HA LYS 35 HA LYS 35 -3.079 12.511 4.885 247 HB2 LYS 35 1HB LYS 35 -5.258 12.223 4.063 248 HB3 LYS 35 2HB LYS 35 -4.198 11.255 3.033 249 HG2 LYS 35 1HG LYS 35 -4.967 9.253 4.173 250 HG3 LYS 35 2HG LYS 35 -5.967 10.251 5.235 251 HD2 LYS 35 1HD LYS 35 -6.170 10.088 2.286 252 HD3 LYS 35 2HD LYS 35 -7.223 9.198 3.407 253 HE2 LYS 35 1HE LYS 35 -7.889 11.418 4.371 254 HE3 LYS 35 2HE LYS 35 -6.976 12.194 3.079 255 HZ1 LYS 35 3HZ LYS 35 -8.501 10.775 1.562 256 HZ2 LYS 35 1HZ LYS 35 -9.166 12.162 2.317 257 HZ3 LYS 35 2HZ LYS 35 -9.447 10.638 2.940 258 H THR 36 H THR 36 -4.028 9.471 6.406 259 HA THR 36 HA THR 36 -5.516 10.781 8.399 260 HB THR 36 HB THR 36 -5.484 8.484 9.520 261 HG1 THR 36 HG1 THR 36 -3.699 7.542 8.727 262 HG21 THR 36 3HG2 THR 36 -6.387 8.635 6.646 263 HG22 THR 36 1HG2 THR 36 -7.295 9.222 8.042 264 HG23 THR 36 2HG2 THR 36 -6.976 7.495 7.859 265 H ASP 37 H ASP 37 -2.385 10.761 7.846 266 HA ASP 37 HA ASP 37 -1.327 10.356 10.498 267 HB2 ASP 37 1HB ASP 37 0.068 10.421 8.147 268 HB3 ASP 37 2HB ASP 37 0.019 12.120 8.540 269 H ASN 38 H ASN 38 -2.164 12.949 8.361 270 HA ASN 38 HA ASN 38 -2.869 15.080 8.560 271 HB2 ASN 38 1HB ASN 38 -4.202 14.355 10.528 272 HB3 ASN 38 2HB ASN 38 -2.808 14.693 11.559 273 HD21 ASN 38 1HD2 ASN 38 -3.749 16.271 12.751 274 HD22 ASN 38 2HD2 ASN 38 -4.238 17.812 12.137 275 H LYS 39 H LYS 39 -0.254 14.149 10.635 276 HA LYS 39 HA LYS 39 0.811 16.875 10.662 277 HB2 LYS 39 1HB LYS 39 1.675 14.419 12.146 278 HB3 LYS 39 2HB LYS 39 2.303 16.059 12.359 279 HG2 LYS 39 1HG LYS 39 0.243 16.800 13.276 280 HG3 LYS 39 2HG LYS 39 -0.566 15.296 12.829 281 HD2 LYS 39 1HD LYS 39 -0.021 15.314 15.207 282 HD3 LYS 39 2HD LYS 39 0.883 14.060 14.355 283 HE2 LYS 39 1HE LYS 39 2.833 15.576 14.278 284 HE3 LYS 39 2HE LYS 39 1.920 16.761 15.203 285 HZ1 LYS 39 3HZ LYS 39 2.796 14.068 16.095 286 HZ2 LYS 39 1HZ LYS 39 1.780 15.077 17.018 287 HZ3 LYS 39 2HZ LYS 39 3.335 15.560 16.621 288 H VAL 40 H VAL 40 2.137 13.591 10.305 289 HA VAL 40 HA VAL 40 4.122 12.863 9.717 290 HB VAL 40 HB VAL 40 3.809 14.752 7.359 291 HG11 VAL 40 1HG1 VAL 40 5.360 12.154 7.590 292 HG12 VAL 40 2HG1 VAL 40 6.060 13.770 7.502 293 HG13 VAL 40 3HG1 VAL 40 5.194 13.107 6.115 294 HG21 VAL 40 3HG2 VAL 40 1.825 13.377 7.566 295 HG22 VAL 40 1HG2 VAL 40 2.815 11.919 7.647 296 HG23 VAL 40 2HG2 VAL 40 2.763 12.864 6.160 297 H LYS 41 H LYS 41 5.168 15.696 8.102 298 HA LYS 41 HA LYS 41 6.287 16.852 10.513 299 HB2 LYS 41 1HB LYS 41 7.911 16.161 8.067 300 HB3 LYS 41 2HB LYS 41 8.459 17.282 9.319 301 HG2 LYS 41 1HG LYS 41 8.161 15.395 10.952 302 HG3 LYS 41 2HG LYS 41 7.858 14.377 9.541 303 HD2 LYS 41 1HD LYS 41 10.070 14.770 8.691 304 HD3 LYS 41 2HD LYS 41 10.363 16.015 9.906 305 HE2 LYS 41 1HE LYS 41 10.197 14.285 11.666 306 HE3 LYS 41 2HE LYS 41 10.009 13.060 10.415 307 HZ1 LYS 41 3HZ LYS 41 12.327 13.242 11.218 308 HZ2 LYS 41 1HZ LYS 41 12.356 14.845 10.708 309 HZ3 LYS 41 2HZ LYS 41 12.211 13.605 9.587 310 H ASP 42 H ASP 42 5.488 17.125 7.125 311 HA ASP 42 HA ASP 42 5.466 20.034 7.431 312 HB2 ASP 42 1HB ASP 42 5.440 18.376 4.886 313 HB3 ASP 42 2HB ASP 42 5.365 20.139 4.969 314 H LYS 43 H LYS 43 3.661 18.044 5.160 315 HA LYS 43 HA LYS 43 1.631 17.900 4.537 316 HB2 LYS 43 1HB LYS 43 1.334 17.605 7.411 317 HB3 LYS 43 2HB LYS 43 -0.182 17.927 6.542 318 HG2 LYS 43 1HG LYS 43 1.589 15.473 6.562 319 HG3 LYS 43 2HG LYS 43 -0.146 15.688 6.563 320 HD2 LYS 43 1HD LYS 43 -0.033 16.521 4.225 321 HD3 LYS 43 2HD LYS 43 1.662 16.009 4.208 322 HE2 LYS 43 1HE LYS 43 0.539 14.188 3.330 323 HE3 LYS 43 2HE LYS 43 0.809 13.819 5.045 324 HZ1 LYS 43 3HZ LYS 43 -1.418 13.269 4.747 325 HZ2 LYS 43 1HZ LYS 43 -1.716 14.602 3.740 326 HZ3 LYS 43 2HZ LYS 43 -1.491 14.837 5.370 327 H ALA 44 H ALA 44 2.540 20.753 5.285 328 HA ALA 44 HA ALA 44 0.082 22.258 5.221 329 HB1 ALA 44 3HB ALA 44 1.449 24.146 4.440 330 HB2 ALA 44 1HB ALA 44 2.779 23.040 4.101 331 HB3 ALA 44 2HB ALA 44 2.268 23.324 5.771 332 H GLU 45 H GLU 45 2.380 21.216 2.903 333 HA GLU 45 HA GLU 45 2.520 20.853 0.865 334 HB2 GLU 45 1HB GLU 45 -0.278 19.825 1.104 335 HB3 GLU 45 2HB GLU 45 0.832 19.467 -0.229 336 HG2 GLU 45 1HG GLU 45 0.993 18.634 2.640 337 HG3 GLU 45 2HG GLU 45 1.040 17.633 1.188 338 H GLU 46 H GLU 46 2.969 22.540 -0.212 339 HA GLU 46 HA GLU 46 0.945 24.169 -1.398 340 HB2 GLU 46 1HB GLU 46 2.769 25.095 -2.823 341 HB3 GLU 46 2HB GLU 46 3.136 25.157 -1.098 342 HG2 GLU 46 1HG GLU 46 4.619 23.251 -1.346 343 HG3 GLU 46 2HG GLU 46 4.211 23.146 -3.062 344 H GLU 47 H GLU 47 2.582 21.242 -2.135 345 HA GLU 47 HA GLU 47 0.598 20.649 -4.066 346 HB2 GLU 47 1HB GLU 47 2.389 21.416 -5.507 347 HB3 GLU 47 2HB GLU 47 3.569 20.437 -4.624 348 HG2 GLU 47 1HG GLU 47 2.493 18.437 -5.357 349 HG3 GLU 47 2HG GLU 47 1.246 19.420 -6.149 350 H THR 48 H THR 48 3.663 18.976 -3.272 351 HA THR 48 HA THR 48 2.743 17.326 -1.282 352 HB THR 48 HB THR 48 2.943 16.058 -4.054 353 HG1 THR 48 HG1 THR 48 0.837 17.053 -2.805 354 HG21 THR 48 3HG2 THR 48 3.916 14.711 -2.307 355 HG22 THR 48 1HG2 THR 48 2.429 13.952 -2.897 356 HG23 THR 48 2HG2 THR 48 2.433 14.831 -1.356 357 H GLU 49 H GLU 49 4.694 17.800 -0.471 358 HA GLU 49 HA GLU 49 7.136 17.705 -1.946 359 HB2 GLU 49 1HB GLU 49 6.580 17.664 1.005 360 HB3 GLU 49 2HB GLU 49 8.221 17.517 0.356 361 HG2 GLU 49 1HG GLU 49 6.343 19.795 -0.167 362 HG3 GLU 49 2HG GLU 49 7.642 19.798 1.033 363 H GLU 50 H GLU 50 8.424 16.155 -2.424 364 HA GLU 50 HA GLU 50 9.247 14.093 -2.839 365 HB2 GLU 50 1HB GLU 50 7.761 13.247 -0.341 366 HB3 GLU 50 2HB GLU 50 8.848 12.217 -1.246 367 HG2 GLU 50 1HG GLU 50 10.722 13.614 -0.658 368 HG3 GLU 50 2HG GLU 50 9.643 14.774 0.127 369 H LYS 51 H LYS 51 8.599 12.610 -4.348 370 HA LYS 51 HA LYS 51 5.879 11.894 -4.148 371 HB2 LYS 51 1HB LYS 51 5.988 11.285 -6.642 372 HB3 LYS 51 2HB LYS 51 5.796 12.990 -6.211 373 HG2 LYS 51 1HG LYS 51 8.428 11.756 -6.736 374 HG3 LYS 51 2HG LYS 51 7.408 12.299 -8.080 375 HD2 LYS 51 1HD LYS 51 7.417 14.553 -7.235 376 HD3 LYS 51 2HD LYS 51 8.227 14.028 -5.751 377 HE2 LYS 51 1HE LYS 51 10.073 13.383 -6.907 378 HE3 LYS 51 2HE LYS 51 9.354 13.754 -8.486 379 HZ1 LYS 51 3HZ LYS 51 9.290 16.153 -7.742 380 HZ2 LYS 51 1HZ LYS 51 10.853 15.544 -7.830 381 HZ3 LYS 51 2HZ LYS 51 10.135 15.711 -6.348 382 HA PRO 52 HA PRO 52 8.251 8.175 -3.302 383 HB2 PRO 52 1HB PRO 52 6.653 7.254 -1.370 384 HB3 PRO 52 2HB PRO 52 7.682 8.674 -1.088 385 HG2 PRO 52 1HG PRO 52 4.781 8.551 -1.826 386 HG3 PRO 52 2HG PRO 52 5.560 9.467 -0.518 387 HD2 PRO 52 1HD PRO 52 4.989 10.603 -2.950 388 HD3 PRO 52 2HD PRO 52 6.391 11.038 -1.926 389 H SER 53 H SER 53 7.542 5.838 -3.292 390 HA SER 53 HA SER 53 5.651 5.392 -5.349 391 HG SER 53 HG SER 53 8.455 2.995 -3.787 392 HB2 SER 53 1HB SER 53 6.373 2.978 -4.755 393 HB3 SER 53 2HB SER 53 7.568 4.052 -5.508 394 H VAL 54 H VAL 54 3.956 3.921 -4.977 395 HA VAL 54 HA VAL 54 2.987 4.000 -2.181 396 HB VAL 54 HB VAL 54 1.129 4.524 -4.538 397 HG11 VAL 54 1HG1 VAL 54 0.627 4.731 -1.575 398 HG12 VAL 54 2HG1 VAL 54 0.162 3.371 -2.589 399 HG13 VAL 54 3HG1 VAL 54 -0.539 4.971 -2.890 400 HG21 VAL 54 3HG2 VAL 54 2.265 6.421 -2.482 401 HG22 VAL 54 1HG2 VAL 54 0.972 6.799 -3.635 402 HG23 VAL 54 2HG2 VAL 54 2.599 6.403 -4.209 403 H TRP 55 H TRP 55 2.558 2.306 -1.448 404 HA TRP 55 HA TRP 55 2.001 0.005 -3.176 405 HD1 TRP 55 HD1 TRP 55 5.247 1.663 -1.596 406 HE1 TRP 55 HE1 TRP 55 7.346 1.036 -2.962 407 HE3 TRP 55 HE3 TRP 55 3.904 -3.019 -3.079 408 HZ2 TRP 55 HZ2 TRP 55 8.301 -1.136 -4.450 409 HZ3 TRP 55 HZ3 TRP 55 5.464 -4.314 -4.467 410 HH2 TRP 55 HH2 TRP 55 7.612 -3.393 -5.140 411 HB2 TRP 55 1HB TRP 55 3.352 0.010 -0.466 412 HB3 TRP 55 2HB TRP 55 2.958 -1.436 -1.399 413 H LEU 56 H LEU 56 0.374 -1.062 -2.908 414 HA LEU 56 HA LEU 56 -1.506 -0.272 -0.807 415 HG LEU 56 HG LEU 56 -3.694 -1.701 -1.220 416 HB2 LEU 56 1HB LEU 56 -2.421 0.200 -2.930 417 HB3 LEU 56 2HB LEU 56 -2.149 -1.428 -3.531 418 HD11 LEU 56 1HD1 LEU 56 -4.735 0.562 -2.875 419 HD12 LEU 56 2HD1 LEU 56 -4.289 0.576 -1.161 420 HD13 LEU 56 3HD1 LEU 56 -5.679 -0.354 -1.705 421 HD21 LEU 56 3HD2 LEU 56 -5.440 -2.422 -2.816 422 HD22 LEU 56 1HD2 LEU 56 -3.838 -3.134 -3.054 423 HD23 LEU 56 2HD2 LEU 56 -4.374 -1.835 -4.119 424 H CYS 57 H CYS 57 -1.905 -1.650 0.704 425 HA CYS 57 HA CYS 57 -0.954 -4.339 1.006 426 HB2 CYS 57 1HB CYS 57 -1.608 -2.586 2.767 427 HB3 CYS 57 2HB CYS 57 -3.269 -3.000 2.379 428 H LEU 58 H LEU 58 -1.686 -6.014 -0.295 429 HA LEU 58 HA LEU 58 -4.221 -5.897 -1.618 430 HG LEU 58 HG LEU 58 -1.138 -6.142 -2.162 431 HB2 LEU 58 1HB LEU 58 -2.262 -8.146 -1.280 432 HB3 LEU 58 2HB LEU 58 -3.482 -7.985 -2.537 433 HD11 LEU 58 1HD1 LEU 58 -1.681 -8.205 -4.240 434 HD12 LEU 58 2HD1 LEU 58 -0.416 -8.221 -2.981 435 HD13 LEU 58 3HD1 LEU 58 -0.411 -6.970 -4.263 436 HD21 LEU 58 3HD2 LEU 58 -3.045 -5.032 -2.958 437 HD22 LEU 58 1HD2 LEU 58 -3.265 -6.258 -4.224 438 HD23 LEU 58 2HD2 LEU 58 -1.816 -5.214 -4.219 439 H LYS 59 H LYS 59 -3.253 -6.624 1.188 440 HA LYS 59 HA LYS 59 -5.175 -8.646 1.878 441 HB2 LYS 59 1HB LYS 59 -3.089 -8.706 3.006 442 HB3 LYS 59 2HB LYS 59 -3.302 -7.067 3.627 443 HG2 LYS 59 1HG LYS 59 -3.783 -8.633 5.379 444 HG3 LYS 59 2HG LYS 59 -5.216 -7.771 4.761 445 HD2 LYS 59 1HD LYS 59 -6.047 -9.496 3.718 446 HD3 LYS 59 2HD LYS 59 -4.690 -10.547 3.582 447 HE2 LYS 59 1HE LYS 59 -4.853 -10.512 6.185 448 HE3 LYS 59 2HE LYS 59 -6.536 -10.027 5.845 449 HZ1 LYS 59 3HZ LYS 59 -5.161 -12.460 4.894 450 HZ2 LYS 59 1HZ LYS 59 -6.764 -12.095 4.488 451 HZ3 LYS 59 2HZ LYS 59 -6.344 -12.414 6.075 452 H CYS 60 H CYS 60 -4.852 -5.202 2.597 453 HA CYS 60 HA CYS 60 -7.724 -5.293 3.365 454 HB2 CYS 60 1HB CYS 60 -7.425 -3.817 5.201 455 HB3 CYS 60 2HB CYS 60 -6.224 -5.118 5.327 456 H GLY 61 H GLY 61 -5.572 -3.740 1.322 457 HA2 GLY 61 1HA GLY 61 -6.192 -2.178 -0.237 458 HA3 GLY 61 2HA GLY 61 -7.657 -1.829 0.699 459 H HIS 62 H HIS 62 -4.932 -1.880 2.619 460 HA HIS 62 HA HIS 62 -4.755 0.973 3.142 461 HD1 HIS 62 HD1 HIS 62 -2.535 1.794 5.736 462 HD2 HIS 62 HD2 HIS 62 -0.530 -0.668 3.054 463 HE1 HIS 62 HE1 HIS 62 -0.120 2.561 5.690 464 HB2 HIS 62 1HB HIS 62 -3.928 -0.287 4.946 465 HB3 HIS 62 2HB HIS 62 -3.118 -1.450 3.898 466 H GLN 63 H GLN 63 -3.774 2.441 2.268 467 HA GLN 63 HA GLN 63 -1.864 1.669 0.255 468 HB2 GLN 63 1HB GLN 63 -4.000 3.343 0.137 469 HB3 GLN 63 2HB GLN 63 -2.620 4.443 0.049 470 HG2 GLN 63 1HG GLN 63 -1.747 3.271 -1.788 471 HG3 GLN 63 2HG GLN 63 -2.988 2.024 -1.736 472 HE21 GLN 63 1HE2 GLN 63 -4.941 4.297 -1.043 473 HE22 GLN 63 2HE2 GLN 63 -5.183 5.072 -2.566 474 H GLY 64 H GLY 64 0.117 2.038 0.792 475 HA2 GLY 64 1HA GLY 64 0.786 4.190 2.608 476 HA3 GLY 64 2HA GLY 64 1.487 2.578 2.758 477 H CYS 65 H CYS 65 2.954 4.755 2.577 478 HA CYS 65 HA CYS 65 3.826 5.097 -0.139 479 HB2 CYS 65 1HB CYS 65 5.315 6.853 0.963 480 HB3 CYS 65 2HB CYS 65 3.576 7.092 1.084 481 H GLY 66 H GLY 66 5.699 4.363 -0.918 482 HA2 GLY 66 1HA GLY 66 6.621 1.932 0.185 483 HA3 GLY 66 2HA GLY 66 7.185 2.679 -1.304 484 H ARG 67 H ARG 67 9.155 1.718 -0.647 485 HA ARG 67 HA ARG 67 10.416 2.014 1.837 486 HE ARG 67 HE ARG 67 12.737 -0.036 -1.841 487 HB2 ARG 67 1HB ARG 67 11.779 1.534 -0.788 488 HB3 ARG 67 2HB ARG 67 12.354 1.087 0.815 489 HG2 ARG 67 1HG ARG 67 10.351 -0.387 1.024 490 HG3 ARG 67 2HG ARG 67 10.006 0.030 -0.662 491 HD2 ARG 67 1HD ARG 67 12.538 -1.238 0.311 492 HD3 ARG 67 2HD ARG 67 11.217 -2.135 -0.410 493 HH11 ARG 67 1HH1 ARG 67 10.956 -3.110 -1.940 494 HH12 ARG 67 2HH1 ARG 67 11.437 -3.481 -3.526 495 HH21 ARG 67 1HH2 ARG 67 13.333 -0.527 -4.031 496 HH22 ARG 67 2HH2 ARG 67 12.839 -1.987 -4.748 497 H ASN 68 H ASN 68 10.669 3.790 -1.017 498 HA ASN 68 HA ASN 68 12.827 5.478 -0.178 499 HB2 ASN 68 1HB ASN 68 11.839 6.650 -2.269 500 HB3 ASN 68 2HB ASN 68 13.016 5.305 -2.439 501 HD21 ASN 68 1HD2 ASN 68 9.863 6.474 -3.080 502 HD22 ASN 68 2HD2 ASN 68 9.245 4.952 -3.714 503 H SER 69 H SER 69 9.963 5.521 1.004 504 HA SER 69 HA SER 69 9.675 8.409 0.837 505 HG SER 69 HG SER 69 8.008 5.386 2.063 506 HB2 SER 69 1HB SER 69 7.611 8.163 2.131 507 HB3 SER 69 2HB SER 69 7.579 7.077 0.730 508 H GLN 70 H GLN 70 9.383 9.436 3.187 509 HA GLN 70 HA GLN 70 11.728 8.760 4.639 510 HB2 GLN 70 1HB GLN 70 10.945 11.086 4.482 511 HB3 GLN 70 2HB GLN 70 9.485 10.649 5.373 512 HG2 GLN 70 1HG GLN 70 11.082 11.776 6.819 513 HG3 GLN 70 2HG GLN 70 10.830 10.112 7.333 514 HE21 GLN 70 1HE2 GLN 70 12.858 11.096 4.613 515 HE22 GLN 70 2HE2 GLN 70 14.345 10.619 5.361 516 H GLU 71 H GLU 71 8.308 8.258 5.161 517 HA GLU 71 HA GLU 71 8.817 7.071 7.776 518 HB2 GLU 71 1HB GLU 71 6.312 7.753 6.319 519 HB3 GLU 71 2HB GLU 71 6.318 6.803 7.813 520 HG2 GLU 71 1HG GLU 71 7.406 9.568 7.450 521 HG3 GLU 71 2HG GLU 71 5.893 9.096 8.260 522 H GLN 72 H GLN 72 7.905 6.056 4.588 523 HA GLN 72 HA GLN 72 7.086 4.204 3.727 524 HB2 GLN 72 1HB GLN 72 9.524 3.651 4.220 525 HB3 GLN 72 2HB GLN 72 8.935 2.668 5.568 526 HG2 GLN 72 1HG GLN 72 7.538 1.403 3.943 527 HG3 GLN 72 2HG GLN 72 8.296 2.404 2.687 528 HE21 GLN 72 1HE2 GLN 72 10.814 2.394 4.090 529 HE22 GLN 72 2HE2 GLN 72 11.497 0.861 3.692 530 H HIS 73 H HIS 73 5.131 4.863 4.930 531 HA HIS 73 HA HIS 73 4.305 3.667 7.218 532 HD2 HIS 73 HD2 HIS 73 3.508 5.442 8.780 533 HE1 HIS 73 HE1 HIS 73 2.506 9.039 6.705 534 HE2 HIS 73 HE2 HIS 73 3.126 8.002 9.062 535 HB2 HIS 73 1HB HIS 73 2.981 4.894 4.879 536 HB3 HIS 73 2HB HIS 73 2.045 4.130 6.156 537 H ALA 74 H ALA 74 4.465 2.411 3.990 538 HA ALA 74 HA ALA 74 2.652 0.185 4.282 539 HB1 ALA 74 3HB ALA 74 3.840 -0.709 2.340 540 HB2 ALA 74 1HB ALA 74 5.111 0.497 2.529 541 HB3 ALA 74 2HB ALA 74 3.489 0.999 2.078 542 H LEU 75 H LEU 75 6.050 0.688 5.100 543 HA LEU 75 HA LEU 75 6.474 -2.064 5.713 544 HG LEU 75 HG LEU 75 8.553 -1.974 7.427 545 HB2 LEU 75 1HB LEU 75 8.180 -0.426 4.937 546 HB3 LEU 75 2HB LEU 75 8.061 0.305 6.543 547 HD11 LEU 75 1HD1 LEU 75 9.869 -3.420 5.899 548 HD12 LEU 75 2HD1 LEU 75 9.490 -2.277 4.607 549 HD13 LEU 75 3HD1 LEU 75 8.192 -3.225 5.346 550 HD21 LEU 75 3HD2 LEU 75 10.011 -0.127 7.464 551 HD22 LEU 75 1HD2 LEU 75 10.579 -0.528 5.830 552 HD23 LEU 75 2HD2 LEU 75 10.902 -1.653 7.185 553 H LYS 76 H LYS 76 6.164 1.067 7.616 554 HA LYS 76 HA LYS 76 6.085 -0.082 10.015 555 HB2 LYS 76 1HB LYS 76 4.706 2.373 8.943 556 HB3 LYS 76 2HB LYS 76 4.721 1.922 10.661 557 HG2 LYS 76 1HG LYS 76 7.161 1.908 10.535 558 HG3 LYS 76 2HG LYS 76 7.029 2.507 8.872 559 HD2 LYS 76 1HD LYS 76 6.035 4.535 9.601 560 HD3 LYS 76 2HD LYS 76 5.836 3.916 11.258 561 HE2 LYS 76 1HE LYS 76 8.237 3.570 11.300 562 HE3 LYS 76 2HE LYS 76 8.385 4.493 9.798 563 HZ1 LYS 76 3HZ LYS 76 7.270 5.573 12.353 564 HZ2 LYS 76 1HZ LYS 76 7.451 6.459 10.928 565 HZ3 LYS 76 2HZ LYS 76 8.789 5.899 11.761 566 H HIS 77 H HIS 77 3.588 -0.028 7.571 567 HA HIS 77 HA HIS 77 1.509 -0.773 9.281 568 HD1 HIS 77 HD1 HIS 77 -1.213 -0.079 8.276 569 HD2 HIS 77 HD2 HIS 77 -0.001 -3.159 5.759 570 HE1 HIS 77 HE1 HIS 77 -3.285 -1.354 7.709 571 HB2 HIS 77 1HB HIS 77 1.125 0.247 7.109 572 HB3 HIS 77 2HB HIS 77 1.811 -1.160 6.292 573 H TYR 78 H TYR 78 3.957 -2.464 7.430 574 HA TYR 78 HA TYR 78 2.927 -5.056 7.982 575 HD1 TYR 78 HD2 TYR 78 3.374 -7.066 6.864 576 HD2 TYR 78 HD1 TYR 78 7.357 -5.823 7.706 577 HE1 TYR 78 HE2 TYR 78 4.064 -9.418 7.054 578 HE2 TYR 78 HE1 TYR 78 8.055 -8.181 7.896 579 HH TYR 78 HH TYR 78 7.139 -10.354 8.281 580 HB2 TYR 78 1HB TYR 78 4.477 -4.614 6.196 581 HB3 TYR 78 2HB TYR 78 5.738 -4.190 7.354 582 H LEU 79 H LEU 79 5.158 -2.812 9.769 583 HA LEU 79 HA LEU 79 5.846 -4.787 11.647 584 HG LEU 79 HG LEU 79 7.433 -2.764 9.641 585 HB2 LEU 79 1HB LEU 79 6.315 -1.817 11.527 586 HB3 LEU 79 2HB LEU 79 7.097 -2.957 12.624 587 HD11 LEU 79 1HD1 LEU 79 9.756 -2.268 10.175 588 HD12 LEU 79 2HD1 LEU 79 9.370 -2.327 11.896 589 HD13 LEU 79 3HD1 LEU 79 8.653 -1.082 10.873 590 HD21 LEU 79 3HD2 LEU 79 7.372 -5.073 10.315 591 HD22 LEU 79 1HD2 LEU 79 8.593 -4.788 11.556 592 HD23 LEU 79 2HD2 LEU 79 9.017 -4.623 9.842 593 H THR 80 H THR 80 3.218 -3.009 11.077 594 HA THR 80 HA THR 80 2.485 -2.201 13.740 595 HB THR 80 HB THR 80 0.750 -2.784 11.291 596 HG1 THR 80 HG1 THR 80 2.339 -0.978 11.377 597 HG21 THR 80 3HG2 THR 80 -1.040 -1.501 12.369 598 HG22 THR 80 1HG2 THR 80 -0.044 -1.313 13.813 599 HG23 THR 80 2HG2 THR 80 -0.614 -2.913 13.338 600 HA PRO 81 HA PRO 81 1.326 -6.425 15.076 601 HB2 PRO 81 1HB PRO 81 -0.532 -5.844 16.987 602 HB3 PRO 81 2HB PRO 81 1.218 -5.754 17.282 603 HG2 PRO 81 1HG PRO 81 -0.722 -3.596 16.624 604 HG3 PRO 81 2HG PRO 81 0.605 -3.664 17.824 605 HD2 PRO 81 1HD PRO 81 0.885 -2.376 15.439 606 HD3 PRO 81 2HD PRO 81 2.239 -3.227 16.228 607 H ARG 82 H ARG 82 -0.124 -7.694 14.356 608 HA ARG 82 HA ARG 82 -2.629 -6.630 13.120 609 HE ARG 82 HE ARG 82 -0.074 -9.199 10.149 610 HB2 ARG 82 1HB ARG 82 -0.954 -8.632 11.683 611 HB3 ARG 82 2HB ARG 82 -2.170 -7.526 11.046 612 HG2 ARG 82 1HG ARG 82 -0.654 -5.701 11.185 613 HG3 ARG 82 2HG ARG 82 0.512 -6.686 12.073 614 HD2 ARG 82 1HD ARG 82 -0.335 -7.021 9.209 615 HD3 ARG 82 2HD ARG 82 1.282 -6.604 9.819 616 HH11 ARG 82 1HH1 ARG 82 2.997 -7.380 10.068 617 HH12 ARG 82 2HH1 ARG 82 3.961 -8.780 10.071 618 HH21 ARG 82 1HH2 ARG 82 1.297 -11.097 10.132 619 HH22 ARG 82 2HH2 ARG 82 2.977 -10.933 10.049 620 H SER 83 H SER 83 -4.243 -8.271 12.802 621 HA SER 83 HA SER 83 -3.774 -10.698 14.286 622 HG SER 83 HG SER 83 -6.780 -9.440 12.326 623 HB2 SER 83 1HB SER 83 -6.321 -10.934 13.751 624 HB3 SER 83 2HB SER 83 -5.807 -9.716 14.921 625 H GLU 84 H GLU 84 -3.857 -9.560 11.032 626 HA GLU 84 HA GLU 84 -3.675 -12.323 10.020 627 HB2 GLU 84 1HB GLU 84 -4.567 -9.892 8.463 628 HB3 GLU 84 2HB GLU 84 -4.513 -11.576 7.945 629 HG2 GLU 84 1HG GLU 84 -6.771 -11.082 8.222 630 HG3 GLU 84 2HG GLU 84 -6.334 -11.971 9.675 631 HA PRO 85 HA PRO 85 0.152 -10.658 8.490 632 HB2 PRO 85 1HB PRO 85 0.820 -12.184 6.483 633 HB3 PRO 85 2HB PRO 85 0.679 -12.830 8.137 634 HG2 PRO 85 1HG PRO 85 -1.323 -12.854 5.929 635 HG3 PRO 85 2HG PRO 85 -0.692 -14.246 6.829 636 HD2 PRO 85 1HD PRO 85 -3.049 -12.971 7.470 637 HD3 PRO 85 2HD PRO 85 -2.026 -13.670 8.749 638 H HIS 86 H HIS 86 -0.580 -8.819 7.863 639 HA HIS 86 HA HIS 86 -1.598 -8.361 5.179 640 HD2 HIS 86 HD2 HIS 86 -2.944 -8.556 8.199 641 HE1 HIS 86 HE1 HIS 86 -5.673 -5.423 7.423 642 HE2 HIS 86 HE2 HIS 86 -5.346 -7.647 8.607 643 HB2 HIS 86 1HB HIS 86 -0.693 -6.395 7.304 644 HB3 HIS 86 2HB HIS 86 -1.325 -5.916 5.725 645 H CYS 87 H CYS 87 0.325 -9.722 4.547 646 HA CYS 87 HA CYS 87 2.756 -8.195 4.589 647 HG CYS 87 HG CYS 87 0.679 -11.526 4.741 648 HB2 CYS 87 1HB CYS 87 3.755 -10.369 3.706 649 HB3 CYS 87 2HB CYS 87 3.248 -10.171 5.385 650 H LEU 88 H LEU 88 0.391 -8.166 2.540 651 HA LEU 88 HA LEU 88 2.003 -8.296 0.082 652 HG LEU 88 HG LEU 88 1.156 -10.766 0.737 653 HB2 LEU 88 1HB LEU 88 -0.687 -9.370 0.683 654 HB3 LEU 88 2HB LEU 88 -0.329 -8.895 -0.945 655 HD11 LEU 88 1HD1 LEU 88 -0.563 -11.340 -1.692 656 HD12 LEU 88 2HD1 LEU 88 -0.945 -11.790 -0.005 657 HD13 LEU 88 3HD1 LEU 88 0.459 -12.501 -0.835 658 HD21 LEU 88 3HD2 LEU 88 2.736 -9.921 -0.730 659 HD22 LEU 88 1HD2 LEU 88 1.614 -9.997 -2.098 660 HD23 LEU 88 2HD2 LEU 88 2.254 -11.478 -1.409 661 H VAL 89 H VAL 89 2.288 -6.861 -0.985 662 HA VAL 89 HA VAL 89 0.259 -4.778 -1.063 663 HB VAL 89 HB VAL 89 2.000 -3.032 -1.014 664 HG11 VAL 89 1HG1 VAL 89 0.906 -3.445 1.095 665 HG12 VAL 89 2HG1 VAL 89 2.629 -3.114 1.365 666 HG13 VAL 89 3HG1 VAL 89 2.030 -4.770 1.427 667 HG21 VAL 89 3HG2 VAL 89 4.276 -3.483 -0.383 668 HG22 VAL 89 1HG2 VAL 89 3.791 -4.425 -1.794 669 HG23 VAL 89 2HG2 VAL 89 3.905 -5.214 -0.212 670 H LEU 90 H LEU 90 0.093 -3.931 -3.131 671 HA LEU 90 HA LEU 90 2.146 -4.835 -4.936 672 HG LEU 90 HG LEU 90 -1.291 -3.286 -4.999 673 HB2 LEU 90 1HB LEU 90 0.692 -4.509 -6.820 674 HB3 LEU 90 2HB LEU 90 -0.147 -5.508 -5.643 675 HD11 LEU 90 1HD1 LEU 90 -0.374 -2.631 -7.740 676 HD12 LEU 90 2HD1 LEU 90 0.120 -1.855 -6.236 677 HD13 LEU 90 3HD1 LEU 90 -1.566 -1.697 -6.805 678 HD21 LEU 90 3HD2 LEU 90 -1.936 -4.543 -7.656 679 HD22 LEU 90 1HD2 LEU 90 -3.027 -3.573 -6.681 680 HD23 LEU 90 2HD2 LEU 90 -2.489 -5.151 -6.096 681 H SER 91 H SER 91 2.773 -3.224 -6.584 682 HA SER 91 HA SER 91 3.208 -0.675 -5.265 683 HG SER 91 HG SER 91 3.447 -1.935 -8.261 684 HB2 SER 91 1HB SER 91 5.116 -0.530 -6.756 685 HB3 SER 91 2HB SER 91 4.986 -2.237 -6.274 686 H LEU 92 H LEU 92 2.300 1.171 -6.102 687 HA LEU 92 HA LEU 92 0.581 0.984 -8.441 688 HG LEU 92 HG LEU 92 -0.409 1.033 -5.914 689 HB2 LEU 92 1HB LEU 92 1.128 3.075 -6.367 690 HB3 LEU 92 2HB LEU 92 0.067 3.348 -7.756 691 HD11 LEU 92 1HD1 LEU 92 -1.481 3.812 -5.647 692 HD12 LEU 92 2HD1 LEU 92 -0.330 3.025 -4.547 693 HD13 LEU 92 3HD1 LEU 92 -1.958 2.379 -4.735 694 HD21 LEU 92 3HD2 LEU 92 -2.146 2.760 -7.556 695 HD22 LEU 92 1HD2 LEU 92 -2.618 1.266 -6.744 696 HD23 LEU 92 2HD2 LEU 92 -1.491 1.210 -8.129 697 H ASP 93 H ASP 93 3.584 1.055 -8.284 698 HA ASP 93 HA ASP 93 4.047 3.303 -10.111 699 HB2 ASP 93 1HB ASP 93 5.923 2.013 -8.130 700 HB3 ASP 93 2HB ASP 93 6.431 3.177 -9.362 701 H ASN 94 H ASN 94 5.239 0.057 -9.280 702 HA ASN 94 HA ASN 94 6.150 -0.329 -12.063 703 HB2 ASN 94 1HB ASN 94 6.750 -1.839 -9.499 704 HB3 ASN 94 2HB ASN 94 7.323 -2.326 -11.095 705 HD21 ASN 94 1HD2 ASN 94 9.408 -2.231 -10.244 706 HD22 ASN 94 2HD2 ASN 94 10.248 -0.719 -10.047 707 H TRP 95 H TRP 95 3.602 -0.868 -10.138 708 HA TRP 95 HA TRP 95 1.934 -2.323 -9.902 709 HD1 TRP 95 HD1 TRP 95 2.040 -0.014 -13.412 710 HE1 TRP 95 HE1 TRP 95 0.105 1.624 -12.955 711 HE3 TRP 95 HE3 TRP 95 -0.656 -2.826 -10.125 712 HZ2 TRP 95 HZ2 TRP 95 -2.221 1.734 -11.366 713 HZ3 TRP 95 HZ3 TRP 95 -2.709 -1.881 -9.163 714 HH2 TRP 95 HH2 TRP 95 -3.469 0.336 -9.761 715 HB2 TRP 95 1HB TRP 95 2.460 -2.500 -12.846 716 HB3 TRP 95 2HB TRP 95 1.127 -3.373 -12.092 717 H SER 96 H SER 96 4.281 -3.425 -8.940 718 HA SER 96 HA SER 96 4.002 -6.205 -9.793 719 HG SER 96 HG SER 96 5.639 -4.661 -10.807 720 HB2 SER 96 1HB SER 96 6.204 -4.988 -8.188 721 HB3 SER 96 2HB SER 96 6.164 -6.558 -8.989 722 H VAL 97 H VAL 97 4.665 -7.573 -7.743 723 HA VAL 97 HA VAL 97 3.082 -6.485 -5.554 724 HB VAL 97 HB VAL 97 3.267 -9.271 -6.696 725 HG11 VAL 97 1HG1 VAL 97 3.590 -9.365 -4.348 726 HG12 VAL 97 2HG1 VAL 97 2.019 -10.055 -4.864 727 HG13 VAL 97 3HG1 VAL 97 2.097 -8.436 -4.085 728 HG21 VAL 97 3HG2 VAL 97 0.967 -9.186 -6.698 729 HG22 VAL 97 1HG2 VAL 97 1.570 -7.774 -7.567 730 HG23 VAL 97 2HG2 VAL 97 0.924 -7.593 -5.916 731 H TRP 98 H TRP 98 3.910 -6.804 -3.496 732 HA TRP 98 HA TRP 98 6.530 -8.083 -3.339 733 HD1 TRP 98 HD1 TRP 98 6.938 -6.688 0.525 734 HE1 TRP 98 HE1 TRP 98 9.381 -7.348 1.042 735 HE3 TRP 98 HE3 TRP 98 8.881 -6.374 -4.178 736 HZ2 TRP 98 HZ2 TRP 98 11.738 -7.691 -0.332 737 HZ3 TRP 98 HZ3 TRP 98 11.253 -6.876 -4.510 738 HH2 TRP 98 HH2 TRP 98 12.679 -7.515 -2.625 739 HB2 TRP 98 1HB TRP 98 6.677 -5.484 -3.068 740 HB3 TRP 98 2HB TRP 98 5.738 -5.746 -1.600 741 H CYS 99 H CYS 99 6.721 -9.596 -1.712 742 HA CYS 99 HA CYS 99 4.521 -9.583 0.188 743 HB2 CYS 99 1HB CYS 99 4.204 -11.497 -1.181 744 HB3 CYS 99 2HB CYS 99 5.895 -11.984 -1.112 745 H TYR 100 H TYR 100 5.201 -9.130 2.046 746 HA TYR 100 HA TYR 100 7.985 -8.667 2.532 747 HD1 TYR 100 HD1 TYR 100 8.213 -6.194 3.702 748 HD2 TYR 100 HD2 TYR 100 4.161 -7.380 3.682 749 HE1 TYR 100 HE1 TYR 100 7.584 -3.875 3.183 750 HE2 TYR 100 HE2 TYR 100 3.473 -5.037 3.130 751 HH TYR 100 HH TYR 100 4.399 -2.778 3.403 752 HB2 TYR 100 1HB TYR 100 5.702 -8.797 4.472 753 HB3 TYR 100 2HB TYR 100 7.339 -8.275 4.854 754 H VAL 101 H VAL 101 5.891 -11.292 3.282 755 HA VAL 101 HA VAL 101 7.857 -12.420 5.074 756 HB VAL 101 HB VAL 101 5.513 -12.658 5.669 757 HG11 VAL 101 1HG1 VAL 101 5.318 -14.193 3.142 758 HG12 VAL 101 2HG1 VAL 101 4.610 -12.637 3.483 759 HG13 VAL 101 3HG1 VAL 101 4.012 -14.089 4.338 760 HG21 VAL 101 3HG2 VAL 101 6.729 -15.337 4.977 761 HG22 VAL 101 1HG2 VAL 101 5.389 -15.090 6.097 762 HG23 VAL 101 2HG2 VAL 101 6.982 -14.434 6.470 763 H CYS 102 H CYS 102 7.062 -12.656 1.702 764 HA CYS 102 HA CYS 102 8.557 -15.138 1.372 765 HB2 CYS 102 1HB CYS 102 7.135 -13.250 -0.455 766 HB3 CYS 102 2HB CYS 102 8.415 -14.268 -1.113 767 H ASP 103 H ASP 103 8.732 -11.783 1.296 768 HA ASP 103 HA ASP 103 10.289 -10.232 1.141 769 HB2 ASP 103 1HB ASP 103 11.300 -11.402 2.989 770 HB3 ASP 103 2HB ASP 103 12.172 -12.484 1.893 771 H ASN 104 H ASN 104 9.410 -10.952 -1.225 772 HA ASN 104 HA ASN 104 11.606 -10.298 -2.830 773 HB2 ASN 104 1HB ASN 104 11.415 -12.156 -4.320 774 HB3 ASN 104 2HB ASN 104 11.594 -12.804 -2.664 775 HD21 ASN 104 1HD2 ASN 104 9.449 -12.253 -5.247 776 HD22 ASN 104 2HD2 ASN 104 8.081 -13.034 -4.585 777 H GLU 105 H GLU 105 10.586 -10.261 -5.129 778 HA GLU 105 HA GLU 105 8.197 -8.694 -5.023 779 HB2 GLU 105 1HB GLU 105 10.375 -8.311 -6.140 780 HB3 GLU 105 2HB GLU 105 9.834 -9.452 -7.371 781 HG2 GLU 105 1HG GLU 105 8.019 -8.164 -7.993 782 HG3 GLU 105 2HG GLU 105 8.175 -7.175 -6.530 783 H VAL 106 H VAL 106 6.294 -9.669 -5.730 784 HA VAL 106 HA VAL 106 6.461 -12.525 -6.280 785 HB VAL 106 HB VAL 106 3.888 -11.026 -5.691 786 HG11 VAL 106 1HG1 VAL 106 3.579 -13.186 -6.798 787 HG12 VAL 106 2HG1 VAL 106 3.055 -13.260 -5.114 788 HG13 VAL 106 3HG1 VAL 106 4.600 -13.959 -5.588 789 HG21 VAL 106 3HG2 VAL 106 5.713 -12.563 -3.861 790 HG22 VAL 106 1HG2 VAL 106 4.152 -11.875 -3.415 791 HG23 VAL 106 2HG2 VAL 106 5.501 -10.812 -3.848 792 H GLN 107 H GLN 107 5.744 -13.588 -7.876 793 HA GLN 107 HA GLN 107 4.948 -12.248 -10.301 794 HB2 GLN 107 1HB GLN 107 5.892 -14.307 -11.442 795 HB3 GLN 107 2HB GLN 107 7.089 -13.287 -10.640 796 HG2 GLN 107 1HG GLN 107 5.954 -15.802 -9.406 797 HG3 GLN 107 2HG GLN 107 7.392 -15.796 -10.417 798 HE21 GLN 107 1HE2 GLN 107 6.997 -16.489 -7.557 799 HE22 GLN 107 2HE2 GLN 107 8.146 -15.496 -6.714 800 H TYR 108 H TYR 108 2.986 -12.401 -10.469 801 HA TYR 108 HA TYR 108 1.354 -14.765 -9.702 802 HD1 TYR 108 HD1 TYR 108 2.169 -11.129 -8.333 803 HD2 TYR 108 HD2 TYR 108 -0.573 -11.402 -11.539 804 HE1 TYR 108 HE1 TYR 108 2.731 -8.893 -8.925 805 HE2 TYR 108 HE2 TYR 108 -0.043 -9.100 -12.206 806 HH TYR 108 HH TYR 108 0.939 -7.062 -11.184 807 HB2 TYR 108 1HB TYR 108 -0.526 -13.055 -9.773 808 HB3 TYR 108 2HB TYR 108 0.636 -12.923 -8.443 809 H CYS 109 H CYS 109 -0.184 -15.490 -11.089 810 HA CYS 109 HA CYS 109 -0.036 -14.481 -13.814 811 HG CYS 109 HG CYS 109 0.175 -18.037 -11.532 812 HB2 CYS 109 1HB CYS 109 -0.932 -16.771 -14.425 813 HB3 CYS 109 2HB CYS 109 0.697 -16.776 -13.732 814 H SER 110 H SER 110 -2.179 -14.542 -14.942 815 HA SER 110 HA SER 110 -4.100 -13.244 -13.303 816 HG SER 110 HG SER 110 -5.586 -12.003 -15.953 817 HB2 SER 110 1HB SER 110 -3.660 -12.728 -15.736 818 HB3 SER 110 2HB SER 110 -4.467 -14.240 -16.140 819 H SER 111 H SER 111 -3.592 -16.515 -14.225 820 HA SER 111 HA SER 111 -6.209 -17.472 -13.666 821 HG SER 111 HG SER 111 -5.499 -18.465 -15.695 822 HB2 SER 111 1HB SER 111 -3.568 -18.936 -13.694 823 HB3 SER 111 2HB SER 111 -5.182 -19.670 -13.782 824 H ASN 112 H ASN 112 -3.686 -16.379 -11.668 825 HA ASN 112 HA ASN 112 -4.544 -18.007 -9.377 826 HB2 ASN 112 1HB ASN 112 -2.104 -17.886 -9.781 827 HB3 ASN 112 2HB ASN 112 -2.186 -16.122 -9.683 828 HD21 ASN 112 1HD2 ASN 112 -2.278 -19.095 -7.915 829 HD22 ASN 112 2HD2 ASN 112 -2.114 -18.381 -6.335 830 H GLN 113 H GLN 113 -5.225 -16.970 -7.451 831 HA GLN 113 HA GLN 113 -7.044 -14.922 -7.628 832 HB2 GLN 113 1HB GLN 113 -6.944 -16.418 -5.702 833 HB3 GLN 113 2HB GLN 113 -5.392 -15.718 -5.225 834 HG2 GLN 113 1HG GLN 113 -6.587 -13.518 -4.996 835 HG3 GLN 113 2HG GLN 113 -8.096 -14.418 -5.186 836 HE21 GLN 113 1HE2 GLN 113 -5.419 -13.745 -3.157 837 HE22 GLN 113 2HE2 GLN 113 -6.070 -14.390 -1.700 838 H LEU 114 H LEU 114 -3.479 -14.652 -6.944 839 HA LEU 114 HA LEU 114 -3.558 -11.989 -6.042 840 HG LEU 114 HG LEU 114 -0.518 -11.583 -7.159 841 HB2 LEU 114 1HB LEU 114 -1.871 -13.622 -5.427 842 HB3 LEU 114 2HB LEU 114 -1.428 -13.816 -7.121 843 HD11 LEU 114 1HD1 LEU 114 -2.060 -10.517 -5.593 844 HD12 LEU 114 2HD1 LEU 114 -0.381 -10.231 -5.122 845 HD13 LEU 114 3HD1 LEU 114 -1.349 -11.433 -4.263 846 HD21 LEU 114 3HD2 LEU 114 0.845 -13.444 -6.429 847 HD22 LEU 114 1HD2 LEU 114 0.391 -13.124 -4.759 848 HD23 LEU 114 2HD2 LEU 114 1.331 -11.929 -5.667 849 H GLY 115 H GLY 115 -3.058 -13.559 -9.127 850 HA2 GLY 115 1HA GLY 115 -2.430 -11.106 -10.474 851 HA3 GLY 115 2HA GLY 115 -2.881 -12.616 -11.277 852 H GLN 116 H GLN 116 -5.477 -13.055 -10.056 853 HA GLN 116 HA GLN 116 -7.224 -11.667 -11.547 854 HB2 GLN 116 1HB GLN 116 -7.551 -12.725 -8.768 855 HB3 GLN 116 2HB GLN 116 -8.862 -12.319 -9.879 856 HG2 GLN 116 1HG GLN 116 -6.783 -14.307 -10.604 857 HG3 GLN 116 2HG GLN 116 -8.136 -14.680 -9.528 858 HE21 GLN 116 1HE2 GLN 116 -8.918 -16.152 -10.978 859 HE22 GLN 116 2HE2 GLN 116 -9.717 -15.707 -12.449 860 H VAL 117 H VAL 117 -5.999 -10.950 -8.295 861 HA VAL 117 HA VAL 117 -7.929 -8.947 -8.112 862 HB VAL 117 HB VAL 117 -6.054 -10.080 -6.110 863 HG11 VAL 117 1HG1 VAL 117 -6.509 -8.279 -4.502 864 HG12 VAL 117 2HG1 VAL 117 -7.476 -7.443 -5.737 865 HG13 VAL 117 3HG1 VAL 117 -5.738 -7.633 -5.968 866 HG21 VAL 117 3HG2 VAL 117 -8.947 -9.503 -6.409 867 HG22 VAL 117 1HG2 VAL 117 -8.265 -9.913 -4.828 868 HG23 VAL 117 2HG2 VAL 117 -8.104 -11.042 -6.187 869 H VAL 118 H VAL 118 -4.335 -9.059 -8.315 870 HA VAL 118 HA VAL 118 -3.887 -6.378 -8.393 871 HB VAL 118 HB VAL 118 -2.567 -8.580 -9.979 872 HG11 VAL 118 1HG1 VAL 118 -0.690 -7.014 -10.387 873 HG12 VAL 118 2HG1 VAL 118 -1.595 -5.719 -9.606 874 HG13 VAL 118 3HG1 VAL 118 -2.173 -6.404 -11.124 875 HG21 VAL 118 3HG2 VAL 118 -1.693 -7.041 -7.564 876 HG22 VAL 118 1HG2 VAL 118 -0.781 -8.326 -8.347 877 HG23 VAL 118 2HG2 VAL 118 -2.325 -8.697 -7.551 878 H ASP 119 H ASP 119 -5.198 -8.398 -10.927 879 HA ASP 119 HA ASP 119 -5.048 -6.423 -13.019 880 HB2 ASP 119 1HB ASP 119 -5.457 -8.985 -13.359 881 HB3 ASP 119 2HB ASP 119 -7.049 -8.663 -12.702 882 H TYR 120 H TYR 120 -7.379 -7.443 -10.712 883 HA TYR 120 HA TYR 120 -9.545 -5.780 -11.505 884 HD1 TYR 120 HD2 TYR 120 -11.933 -5.369 -9.806 885 HD2 TYR 120 HD1 TYR 120 -9.063 -6.760 -7.002 886 HE1 TYR 120 HE2 TYR 120 -13.119 -4.220 -7.987 887 HE2 TYR 120 HE1 TYR 120 -10.259 -5.638 -5.204 888 HH TYR 120 HH TYR 120 -11.778 -3.720 -4.969 889 HB2 TYR 120 1HB TYR 120 -10.343 -7.469 -10.129 890 HB3 TYR 120 2HB TYR 120 -8.893 -7.451 -9.121 891 H VAL 121 H VAL 121 -7.023 -5.385 -9.104 892 HA VAL 121 HA VAL 121 -8.000 -2.864 -8.164 893 HB VAL 121 HB VAL 121 -5.336 -4.291 -7.764 894 HG11 VAL 121 1HG1 VAL 121 -6.515 -2.002 -6.238 895 HG12 VAL 121 2HG1 VAL 121 -5.149 -1.904 -7.351 896 HG13 VAL 121 3HG1 VAL 121 -5.011 -2.838 -5.856 897 HG21 VAL 121 3HG2 VAL 121 -7.103 -5.595 -6.858 898 HG22 VAL 121 1HG2 VAL 121 -7.780 -4.189 -6.045 899 HG23 VAL 121 2HG2 VAL 121 -6.222 -4.835 -5.527 900 H ARG 122 H ARG 122 -5.778 -3.956 -10.591 901 HA ARG 122 HA ARG 122 -4.718 -1.382 -11.035 902 HE ARG 122 HE ARG 122 -3.373 -4.027 -14.962 903 HB2 ARG 122 1HB ARG 122 -3.675 -3.534 -11.832 904 HB3 ARG 122 2HB ARG 122 -4.936 -3.591 -13.075 905 HG2 ARG 122 1HG ARG 122 -4.111 -1.743 -14.179 906 HG3 ARG 122 2HG ARG 122 -3.301 -1.163 -12.720 907 HD2 ARG 122 1HD ARG 122 -1.541 -1.958 -14.122 908 HD3 ARG 122 2HD ARG 122 -1.845 -3.213 -12.926 909 HH11 ARG 122 1HH1 ARG 122 0.011 -3.029 -14.778 910 HH12 ARG 122 2HH1 ARG 122 0.552 -4.097 -15.989 911 HH21 ARG 122 1HH2 ARG 122 -2.632 -5.475 -16.670 912 HH22 ARG 122 2HH2 ARG 122 -0.980 -5.513 -17.077 913 H LYS 123 H LYS 123 -7.630 -3.063 -12.229 914 HA LYS 123 HA LYS 123 -8.281 -0.999 -13.978 915 HB2 LYS 123 1HB LYS 123 -9.948 -3.068 -12.639 916 HB3 LYS 123 2HB LYS 123 -10.504 -2.015 -13.940 917 HG2 LYS 123 1HG LYS 123 -8.497 -2.770 -15.149 918 HG3 LYS 123 2HG LYS 123 -8.381 -4.068 -13.964 919 HD2 LYS 123 1HD LYS 123 -9.616 -5.090 -15.624 920 HD3 LYS 123 2HD LYS 123 -10.788 -4.506 -14.420 921 HE2 LYS 123 1HE LYS 123 -10.153 -3.127 -17.045 922 HE3 LYS 123 2HE LYS 123 -11.547 -4.163 -16.787 923 HZ1 LYS 123 3HZ LYS 123 -11.006 -1.516 -15.539 924 HZ2 LYS 123 1HZ LYS 123 -12.293 -2.504 -15.058 925 HZ3 LYS 123 2HZ LYS 123 -12.192 -1.890 -16.625 926 H GLN 124 H GLN 124 -8.484 -1.472 -10.717 927 HA GLN 124 HA GLN 124 -10.680 0.258 -10.105 928 HB2 GLN 124 1HB GLN 124 -8.464 -0.587 -8.264 929 HB3 GLN 124 2HB GLN 124 -9.737 0.518 -7.749 930 HG2 GLN 124 1HG GLN 124 -9.801 -2.416 -8.084 931 HG3 GLN 124 2HG GLN 124 -10.693 -1.279 -7.054 932 HE21 GLN 124 1HE2 GLN 124 -10.496 -2.770 -10.063 933 HE22 GLN 124 2HE2 GLN 124 -12.122 -2.518 -10.549 934 H ALA 125 H ALA 125 -7.238 0.536 -9.943 935 HA ALA 125 HA ALA 125 -7.172 3.346 -9.353 936 HB1 ALA 125 3HB ALA 125 -4.950 1.512 -10.181 937 HB2 ALA 125 1HB ALA 125 -5.551 1.722 -8.527 938 HB3 ALA 125 2HB ALA 125 -4.808 3.089 -9.370 939 H SER 126 H SER 126 -6.717 1.365 -12.235 940 HA SER 126 HA SER 126 -6.488 3.805 -13.808 941 HG SER 126 HG SER 126 -4.365 1.005 -13.967 942 HB2 SER 126 1HB SER 126 -6.332 0.907 -14.605 943 HB3 SER 126 2HB SER 126 -5.931 2.278 -15.653 Start of MODEL 15 1 HA PRO 5 HA PRO 5 10.217 -15.532 -4.641 2 HB2 PRO 5 1HB PRO 5 9.782 -16.972 -6.960 3 HB3 PRO 5 2HB PRO 5 11.256 -16.056 -6.572 4 HG2 PRO 5 1HG PRO 5 10.690 -18.979 -6.371 5 HG3 PRO 5 2HG PRO 5 12.216 -18.149 -6.759 6 HD2 PRO 5 1HD PRO 5 11.761 -19.308 -4.430 7 HD3 PRO 5 2HD PRO 5 12.688 -17.787 -4.528 8 H VAL 6 H VAL 6 8.666 -18.616 -4.865 9 HA VAL 6 HA VAL 6 6.327 -17.212 -5.727 10 HB VAL 6 HB VAL 6 7.032 -19.571 -6.539 11 HG11 VAL 6 1HG1 VAL 6 5.853 -21.413 -5.417 12 HG12 VAL 6 2HG1 VAL 6 5.401 -20.290 -4.129 13 HG13 VAL 6 3HG1 VAL 6 7.097 -20.686 -4.387 14 HG21 VAL 6 3HG2 VAL 6 5.168 -18.252 -7.214 15 HG22 VAL 6 1HG2 VAL 6 4.189 -18.897 -5.905 16 HG23 VAL 6 2HG2 VAL 6 4.755 -19.982 -7.207 17 H CYS 7 H CYS 7 4.447 -17.008 -4.710 18 HA CYS 7 HA CYS 7 4.702 -17.199 -1.858 19 HB2 CYS 7 1HB CYS 7 4.441 -14.979 -2.919 20 HB3 CYS 7 2HB CYS 7 2.849 -15.495 -3.488 21 H ARG 8 H ARG 8 3.472 -18.556 -0.818 22 HA ARG 8 HA ARG 8 1.038 -19.695 -2.059 23 HE ARG 8 HE ARG 8 4.700 -20.913 -0.153 24 HB2 ARG 8 1HB ARG 8 2.812 -20.750 0.143 25 HB3 ARG 8 2HB ARG 8 1.212 -21.415 -0.201 26 HG2 ARG 8 1HG ARG 8 2.770 -22.856 -1.240 27 HG3 ARG 8 2HG ARG 8 2.060 -21.870 -2.520 28 HD2 ARG 8 1HD ARG 8 4.467 -22.106 -2.836 29 HD3 ARG 8 2HD ARG 8 4.006 -20.437 -2.521 30 HH11 ARG 8 1HH1 ARG 8 6.148 -22.763 -2.795 31 HH12 ARG 8 2HH1 ARG 8 7.678 -22.871 -2.086 32 HH21 ARG 8 1HH2 ARG 8 6.787 -21.064 0.854 33 HH22 ARG 8 2HH2 ARG 8 8.053 -21.883 0.098 34 H HIS 9 H HIS 9 1.766 -17.192 -0.519 35 HA HIS 9 HA HIS 9 -0.086 -17.317 1.843 36 HD2 HIS 9 HD2 HIS 9 1.858 -17.694 4.039 37 HE1 HIS 9 HE1 HIS 9 5.790 -16.756 2.804 38 HE2 HIS 9 HE2 HIS 9 4.375 -18.066 4.473 39 HB2 HIS 9 1HB HIS 9 1.855 -15.126 1.039 40 HB3 HIS 9 2HB HIS 9 0.918 -15.226 2.528 41 H ILE 10 H ILE 10 -0.834 -17.247 -1.030 42 HA ILE 10 HA ILE 10 -1.164 -14.695 -1.856 43 HB ILE 10 HB ILE 10 -2.749 -17.136 -2.720 44 HG12 ILE 10 1HG1 ILE 10 -0.317 -17.314 -3.041 45 HG13 ILE 10 2HG1 ILE 10 -1.162 -17.194 -4.596 46 HG21 ILE 10 1HG2 ILE 10 -2.507 -14.462 -4.082 47 HG22 ILE 10 2HG2 ILE 10 -3.975 -15.167 -3.398 48 HG23 ILE 10 3HG2 ILE 10 -3.200 -15.914 -4.799 49 HD11 ILE 10 3HD1 ILE 10 -0.528 -14.810 -4.690 50 HD12 ILE 10 1HD1 ILE 10 0.871 -15.896 -4.585 51 HD13 ILE 10 2HD1 ILE 10 0.311 -15.029 -3.152 52 H ARG 11 H ARG 11 -3.427 -16.985 -0.576 53 HA ARG 11 HA ARG 11 -5.742 -15.305 -0.286 54 HE ARG 11 HE ARG 11 -6.947 -19.573 -2.448 55 HB2 ARG 11 1HB ARG 11 -4.990 -17.806 1.121 56 HB3 ARG 11 2HB ARG 11 -6.602 -17.093 1.150 57 HG2 ARG 11 1HG ARG 11 -6.827 -17.437 -1.244 58 HG3 ARG 11 2HG ARG 11 -5.184 -18.093 -1.329 59 HD2 ARG 11 1HD ARG 11 -5.906 -19.915 0.197 60 HD3 ARG 11 2HD ARG 11 -7.551 -19.281 0.120 61 HH11 ARG 11 1HH1 ARG 11 -6.787 -21.833 0.277 62 HH12 ARG 11 2HH1 ARG 11 -6.861 -23.225 -0.685 63 HH21 ARG 11 1HH2 ARG 11 -7.110 -21.519 -3.783 64 HH22 ARG 11 2HH2 ARG 11 -7.077 -23.041 -3.038 65 H LYS 12 H LYS 12 -3.007 -15.902 1.671 66 HA LYS 12 HA LYS 12 -4.165 -15.136 4.176 67 HB2 LYS 12 1HB LYS 12 -1.256 -15.355 3.397 68 HB3 LYS 12 2HB LYS 12 -1.868 -15.226 5.037 69 HG2 LYS 12 1HG LYS 12 -2.981 -17.395 4.789 70 HG3 LYS 12 2HG LYS 12 -2.360 -17.508 3.131 71 HD2 LYS 12 1HD LYS 12 -0.075 -17.404 4.005 72 HD3 LYS 12 2HD LYS 12 -0.702 -17.360 5.653 73 HE2 LYS 12 1HE LYS 12 -1.759 -19.557 5.275 74 HE3 LYS 12 2HE LYS 12 -1.060 -19.600 3.659 75 HZ1 LYS 12 3HZ LYS 12 0.284 -20.873 5.243 76 HZ2 LYS 12 1HZ LYS 12 0.484 -19.530 6.210 77 HZ3 LYS 12 2HZ LYS 12 1.171 -19.575 4.692 78 H GLY 13 H GLY 13 -2.393 -13.618 1.650 79 HA2 GLY 13 1HA GLY 13 -2.204 -11.071 3.176 80 HA3 GLY 13 2HA GLY 13 -1.091 -11.551 1.931 81 H LEU 14 H LEU 14 -3.942 -12.480 0.779 82 HA LEU 14 HA LEU 14 -4.618 -9.830 -0.187 83 HG LEU 14 HG LEU 14 -4.734 -9.586 -2.732 84 HB2 LEU 14 1HB LEU 14 -3.254 -11.279 -1.750 85 HB3 LEU 14 2HB LEU 14 -4.603 -12.406 -1.741 86 HD11 LEU 14 1HD1 LEU 14 -3.155 -10.948 -3.956 87 HD12 LEU 14 2HD1 LEU 14 -4.572 -10.572 -4.943 88 HD13 LEU 14 3HD1 LEU 14 -4.390 -12.175 -4.205 89 HD21 LEU 14 3HD2 LEU 14 -6.598 -11.926 -3.099 90 HD22 LEU 14 1HD2 LEU 14 -6.676 -10.368 -3.915 91 HD23 LEU 14 2HD2 LEU 14 -6.917 -10.452 -2.163 92 H GLU 15 H GLU 15 -6.626 -9.459 0.351 93 HA GLU 15 HA GLU 15 -8.109 -11.780 1.135 94 HB2 GLU 15 1HB GLU 15 -7.206 -10.516 2.898 95 HB3 GLU 15 2HB GLU 15 -8.088 -9.056 2.418 96 HG2 GLU 15 1HG GLU 15 -8.787 -10.194 4.360 97 HG3 GLU 15 2HG GLU 15 -10.085 -10.092 3.171 98 H GLN 16 H GLN 16 -9.409 -11.809 -0.789 99 HA GLN 16 HA GLN 16 -9.895 -9.761 -2.545 100 HB2 GLN 16 1HB GLN 16 -11.810 -12.047 -2.283 101 HB3 GLN 16 2HB GLN 16 -11.378 -11.053 -3.675 102 HG2 GLN 16 1HG GLN 16 -9.217 -12.060 -3.822 103 HG3 GLN 16 2HG GLN 16 -9.500 -12.980 -2.332 104 HE21 GLN 16 1HE2 GLN 16 -9.309 -14.974 -3.277 105 HE22 GLN 16 2HE2 GLN 16 -10.478 -15.602 -4.398 106 H GLY 17 H GLY 17 -12.157 -10.971 -0.148 107 HA2 GLY 17 1HA GLY 17 -14.402 -9.430 -1.100 108 HA3 GLY 17 2HA GLY 17 -14.328 -10.271 0.456 109 H ASN 18 H ASN 18 -11.981 -8.939 1.235 110 HA ASN 18 HA ASN 18 -13.105 -6.640 2.538 111 HB2 ASN 18 1HB ASN 18 -11.524 -8.198 3.615 112 HB3 ASN 18 2HB ASN 18 -10.298 -7.759 2.446 113 HD21 ASN 18 1HD2 ASN 18 -8.908 -7.160 3.936 114 HD22 ASN 18 2HD2 ASN 18 -9.048 -5.774 4.958 115 H LEU 19 H LEU 19 -10.971 -7.243 -0.131 116 HA LEU 19 HA LEU 19 -9.749 -4.758 -0.479 117 HG LEU 19 HG LEU 19 -8.363 -7.708 -2.157 118 HB2 LEU 19 1HB LEU 19 -10.410 -6.975 -2.349 119 HB3 LEU 19 2HB LEU 19 -9.707 -5.476 -2.947 120 HD11 LEU 19 1HD1 LEU 19 -7.496 -6.025 -3.573 121 HD12 LEU 19 2HD1 LEU 19 -6.381 -6.195 -2.176 122 HD13 LEU 19 3HD1 LEU 19 -7.536 -4.839 -2.253 123 HD21 LEU 19 3HD2 LEU 19 -8.801 -7.247 0.188 124 HD22 LEU 19 1HD2 LEU 19 -8.012 -5.667 0.039 125 HD23 LEU 19 2HD2 LEU 19 -7.088 -7.162 -0.209 126 H LYS 20 H LYS 20 -12.835 -5.930 -1.829 127 HA LYS 20 HA LYS 20 -13.293 -3.700 -3.504 128 HB2 LYS 20 1HB LYS 20 -15.207 -5.627 -2.154 129 HB3 LYS 20 2HB LYS 20 -15.732 -4.363 -3.246 130 HG2 LYS 20 1HG LYS 20 -15.688 -6.452 -4.412 131 HG3 LYS 20 2HG LYS 20 -14.399 -5.421 -5.048 132 HD2 LYS 20 1HD LYS 20 -12.786 -6.635 -3.677 133 HD3 LYS 20 2HD LYS 20 -14.076 -7.690 -3.085 134 HE2 LYS 20 1HE LYS 20 -13.147 -7.403 -5.941 135 HE3 LYS 20 2HE LYS 20 -12.780 -8.745 -4.848 136 HZ1 LYS 20 3HZ LYS 20 -15.173 -9.255 -4.798 137 HZ2 LYS 20 1HZ LYS 20 -14.547 -9.324 -6.350 138 HZ3 LYS 20 2HZ LYS 20 -15.474 -8.015 -5.901 139 H LYS 21 H LYS 21 -13.727 -4.117 -0.087 140 HA LYS 21 HA LYS 21 -15.568 -1.898 0.173 141 HB2 LYS 21 1HB LYS 21 -14.016 -3.198 2.391 142 HB3 LYS 21 2HB LYS 21 -15.628 -2.499 2.443 143 HG2 LYS 21 1HG LYS 21 -14.887 -5.045 1.024 144 HG3 LYS 21 2HG LYS 21 -15.619 -4.955 2.629 145 HD2 LYS 21 1HD LYS 21 -17.594 -3.919 1.665 146 HD3 LYS 21 2HD LYS 21 -16.811 -3.893 0.079 147 HE2 LYS 21 1HE LYS 21 -18.412 -5.758 0.279 148 HE3 LYS 21 2HE LYS 21 -16.761 -6.313 0.027 149 HZ1 LYS 21 3HZ LYS 21 -16.578 -6.844 2.337 150 HZ2 LYS 21 1HZ LYS 21 -17.959 -7.571 1.725 151 HZ3 LYS 21 2HZ LYS 21 -18.096 -6.194 2.680 152 H ALA 22 H ALA 22 -12.131 -2.544 0.333 153 HA ALA 22 HA ALA 22 -11.567 -0.175 1.824 154 HB1 ALA 22 3HB ALA 22 -9.773 -2.062 0.354 155 HB2 ALA 22 1HB ALA 22 -10.246 -2.202 2.045 156 HB3 ALA 22 2HB ALA 22 -9.284 -0.824 1.516 157 H LEU 23 H LEU 23 -11.514 -1.254 -1.498 158 HA LEU 23 HA LEU 23 -10.106 1.133 -2.400 159 HG LEU 23 HG LEU 23 -10.354 -2.300 -3.081 160 HB2 LEU 23 1HB LEU 23 -11.582 -0.724 -4.207 161 HB3 LEU 23 2HB LEU 23 -10.163 0.259 -4.558 162 HD11 LEU 23 1HD1 LEU 23 -8.819 -1.551 -5.502 163 HD12 LEU 23 2HD1 LEU 23 -10.195 -2.651 -5.351 164 HD13 LEU 23 3HD1 LEU 23 -8.643 -3.056 -4.608 165 HD21 LEU 23 3HD2 LEU 23 -7.987 -2.244 -2.483 166 HD22 LEU 23 1HD2 LEU 23 -8.867 -0.945 -1.718 167 HD23 LEU 23 2HD2 LEU 23 -7.833 -0.598 -3.113 168 H VAL 24 H VAL 24 -13.250 0.459 -1.625 169 HA VAL 24 HA VAL 24 -14.541 2.484 -3.082 170 HB VAL 24 HB VAL 24 -14.933 1.563 -0.223 171 HG11 VAL 24 1HG1 VAL 24 -16.712 3.343 -1.875 172 HG12 VAL 24 2HG1 VAL 24 -15.695 3.804 -0.509 173 HG13 VAL 24 3HG1 VAL 24 -17.073 2.715 -0.244 174 HG21 VAL 24 3HG2 VAL 24 -15.368 -0.122 -1.887 175 HG22 VAL 24 1HG2 VAL 24 -16.443 0.973 -2.755 176 HG23 VAL 24 2HG2 VAL 24 -16.882 0.397 -1.137 177 H ASN 25 H ASN 25 -12.438 2.504 -0.292 178 HA ASN 25 HA ASN 25 -12.868 5.362 0.188 179 HB2 ASN 25 1HB ASN 25 -11.852 3.133 1.908 180 HB3 ASN 25 2HB ASN 25 -11.765 4.835 2.406 181 HD21 ASN 25 1HD2 ASN 25 -13.756 1.997 1.998 182 HD22 ASN 25 2HD2 ASN 25 -15.169 2.706 2.706 183 H VAL 26 H VAL 26 -10.944 3.987 -1.808 184 HA VAL 26 HA VAL 26 -8.408 4.796 -0.608 185 HB VAL 26 HB VAL 26 -7.348 4.006 -2.725 186 HG11 VAL 26 1HG1 VAL 26 -7.312 2.667 -0.826 187 HG12 VAL 26 2HG1 VAL 26 -7.674 1.665 -2.248 188 HG13 VAL 26 3HG1 VAL 26 -8.971 2.121 -1.109 189 HG21 VAL 26 3HG2 VAL 26 -9.223 4.223 -4.192 190 HG22 VAL 26 1HG2 VAL 26 -10.125 3.023 -3.272 191 HG23 VAL 26 2HG2 VAL 26 -8.672 2.550 -4.156 192 H GLU 27 H GLU 27 -7.163 6.416 -1.153 193 HA GLU 27 HA GLU 27 -7.967 8.124 -3.343 194 HB2 GLU 27 1HB GLU 27 -7.282 8.979 -1.043 195 HB3 GLU 27 2HB GLU 27 -5.653 8.453 -1.484 196 HG2 GLU 27 1HG GLU 27 -5.733 10.632 -2.011 197 HG3 GLU 27 2HG GLU 27 -5.985 9.804 -3.557 198 H TRP 28 H TRP 28 -7.274 6.999 -4.946 199 HA TRP 28 HA TRP 28 -5.109 5.248 -5.012 200 HD1 TRP 28 HD1 TRP 28 -8.720 4.932 -7.291 201 HE1 TRP 28 HE1 TRP 28 -9.241 2.468 -6.768 202 HE3 TRP 28 HE3 TRP 28 -4.125 3.499 -5.702 203 HZ2 TRP 28 HZ2 TRP 28 -7.861 0.250 -5.848 204 HZ3 TRP 28 HZ3 TRP 28 -3.806 1.179 -4.989 205 HH2 TRP 28 HH2 TRP 28 -5.638 -0.406 -5.055 206 HB2 TRP 28 1HB TRP 28 -6.728 6.480 -7.035 207 HB3 TRP 28 2HB TRP 28 -5.318 5.595 -7.620 208 H ASN 29 H ASN 29 -3.192 5.224 -5.211 209 HA ASN 29 HA ASN 29 -1.100 5.679 -5.406 210 HB2 ASN 29 1HB ASN 29 -1.881 6.202 -7.649 211 HB3 ASN 29 2HB ASN 29 -1.759 7.926 -7.319 212 HD21 ASN 29 1HD2 ASN 29 -0.056 5.042 -7.843 213 HD22 ASN 29 2HD2 ASN 29 1.520 5.767 -7.858 214 H ILE 30 H ILE 30 -2.819 6.836 -3.524 215 HA ILE 30 HA ILE 30 -0.840 8.678 -2.454 216 HB ILE 30 HB ILE 30 -3.826 9.133 -2.130 217 HG12 ILE 30 1HG1 ILE 30 -1.770 10.597 -3.817 218 HG13 ILE 30 2HG1 ILE 30 -3.345 9.876 -4.231 219 HG21 ILE 30 1HG2 ILE 30 -2.597 9.682 -0.107 220 HG22 ILE 30 2HG2 ILE 30 -3.198 11.152 -0.861 221 HG23 ILE 30 3HG2 ILE 30 -1.497 10.712 -1.025 222 HD11 ILE 30 3HD1 ILE 30 -3.075 12.278 -2.477 223 HD12 ILE 30 1HD1 ILE 30 -4.536 11.632 -3.216 224 HD13 ILE 30 2HD1 ILE 30 -3.283 12.368 -4.221 225 H CYS 31 H CYS 31 -0.058 7.554 -0.944 226 HA CYS 31 HA CYS 31 -1.196 5.515 0.512 227 HB2 CYS 31 1HB CYS 31 1.089 5.708 0.823 228 HB3 CYS 31 2HB CYS 31 1.096 7.414 1.199 229 H GLN 32 H GLN 32 -3.036 5.581 1.391 230 HA GLN 32 HA GLN 32 -4.437 7.815 2.303 231 HB2 GLN 32 1HB GLN 32 -5.970 6.226 3.375 232 HB3 GLN 32 2HB GLN 32 -5.637 5.738 1.714 233 HG2 GLN 32 1HG GLN 32 -4.054 4.111 2.545 234 HG3 GLN 32 2HG GLN 32 -4.481 4.572 4.206 235 HE21 GLN 32 1HE2 GLN 32 -5.652 3.232 1.228 236 HE22 GLN 32 2HE2 GLN 32 -7.006 2.432 1.941 237 H ASP 33 H ASP 33 -2.145 5.798 3.808 238 HA ASP 33 HA ASP 33 -2.749 6.558 6.483 239 HB2 ASP 33 1HB ASP 33 -1.640 4.393 5.690 240 HB3 ASP 33 2HB ASP 33 -0.168 5.355 5.510 241 H CYS 34 H CYS 34 -1.064 8.178 3.841 242 HA CYS 34 HA CYS 34 0.513 9.788 5.518 243 HB2 CYS 34 1HB CYS 34 -0.138 9.430 2.693 244 HB3 CYS 34 2HB CYS 34 0.295 11.054 3.175 245 H LYS 35 H LYS 35 -2.514 9.820 3.858 246 HA LYS 35 HA LYS 35 -2.966 12.632 4.376 247 HB2 LYS 35 1HB LYS 35 -5.190 12.246 3.283 248 HB3 LYS 35 2HB LYS 35 -3.763 11.927 2.281 249 HG2 LYS 35 1HG LYS 35 -4.031 9.606 2.654 250 HG3 LYS 35 2HG LYS 35 -5.419 9.878 3.719 251 HD2 LYS 35 1HD LYS 35 -5.228 10.585 0.813 252 HD3 LYS 35 2HD LYS 35 -6.041 9.149 1.479 253 HE2 LYS 35 1HE LYS 35 -7.555 10.665 2.735 254 HE3 LYS 35 2HE LYS 35 -6.814 12.049 1.935 255 HZ1 LYS 35 3HZ LYS 35 -8.405 9.884 0.635 256 HZ2 LYS 35 1HZ LYS 35 -7.676 11.149 -0.229 257 HZ3 LYS 35 2HZ LYS 35 -8.866 11.471 0.881 258 H THR 36 H THR 36 -4.298 9.604 5.535 259 HA THR 36 HA THR 36 -5.905 11.198 7.353 260 HB THR 36 HB THR 36 -7.110 9.040 7.901 261 HG1 THR 36 HG1 THR 36 -5.478 8.097 5.762 262 HG21 THR 36 3HG2 THR 36 -7.994 10.729 6.436 263 HG22 THR 36 1HG2 THR 36 -8.451 9.118 5.863 264 HG23 THR 36 2HG2 THR 36 -7.139 10.014 5.071 265 H ASP 37 H ASP 37 -3.134 10.620 7.484 266 HA ASP 37 HA ASP 37 -2.490 8.731 9.452 267 HB2 ASP 37 1HB ASP 37 -0.709 9.876 8.157 268 HB3 ASP 37 2HB ASP 37 -1.046 11.337 9.093 269 H ASN 38 H ASN 38 -3.021 12.192 9.912 270 HA ASN 38 HA ASN 38 -3.694 13.506 11.619 271 HB2 ASN 38 1HB ASN 38 -5.564 11.913 11.812 272 HB3 ASN 38 2HB ASN 38 -4.610 10.956 12.953 273 HD21 ASN 38 1HD2 ASN 38 -4.846 14.499 12.849 274 HD22 ASN 38 2HD2 ASN 38 -5.624 14.632 14.390 275 H LYS 39 H LYS 39 -1.902 10.745 12.670 276 HA LYS 39 HA LYS 39 -1.027 11.425 15.262 277 HB2 LYS 39 1HB LYS 39 0.719 10.017 13.247 278 HB3 LYS 39 2HB LYS 39 0.644 9.753 14.990 279 HG2 LYS 39 1HG LYS 39 -1.473 8.685 14.779 280 HG3 LYS 39 2HG LYS 39 -1.525 9.044 13.054 281 HD2 LYS 39 1HD LYS 39 0.655 7.802 12.868 282 HD3 LYS 39 2HD LYS 39 0.342 7.221 14.508 283 HE2 LYS 39 1HE LYS 39 -0.457 5.634 12.882 284 HE3 LYS 39 2HE LYS 39 -1.789 6.362 13.792 285 HZ1 LYS 39 3HZ LYS 39 -0.946 7.409 11.153 286 HZ2 LYS 39 1HZ LYS 39 -2.385 7.715 11.949 287 HZ3 LYS 39 2HZ LYS 39 -2.123 6.204 11.269 288 H VAL 40 H VAL 40 0.697 11.726 12.192 289 HA VAL 40 HA VAL 40 2.383 13.812 13.307 290 HB VAL 40 HB VAL 40 2.480 12.466 10.571 291 HG11 VAL 40 1HG1 VAL 40 3.547 14.646 10.590 292 HG12 VAL 40 2HG1 VAL 40 4.749 13.368 10.421 293 HG13 VAL 40 3HG1 VAL 40 4.528 14.170 11.977 294 HG21 VAL 40 3HG2 VAL 40 4.154 11.886 13.009 295 HG22 VAL 40 1HG2 VAL 40 4.371 11.162 11.417 296 HG23 VAL 40 2HG2 VAL 40 2.901 10.843 12.345 297 H LYS 41 H LYS 41 2.241 15.887 12.430 298 HA LYS 41 HA LYS 41 -0.495 16.411 11.747 299 HB2 LYS 41 1HB LYS 41 1.710 18.377 12.293 300 HB3 LYS 41 2HB LYS 41 -0.027 18.709 12.219 301 HG2 LYS 41 1HG LYS 41 -0.314 17.140 14.161 302 HG3 LYS 41 2HG LYS 41 1.437 17.043 14.257 303 HD2 LYS 41 1HD LYS 41 0.622 18.647 15.863 304 HD3 LYS 41 2HD LYS 41 1.522 19.483 14.596 305 HE2 LYS 41 1HE LYS 41 -0.528 20.676 15.187 306 HE3 LYS 41 2HE LYS 41 -0.574 20.135 13.516 307 HZ1 LYS 41 3HZ LYS 41 -1.926 18.843 15.820 308 HZ2 LYS 41 1HZ LYS 41 -1.983 18.252 14.242 309 HZ3 LYS 41 2HZ LYS 41 -2.672 19.737 14.604 310 H ASP 42 H ASP 42 2.530 17.647 10.433 311 HA ASP 42 HA ASP 42 1.123 18.721 8.175 312 HB2 ASP 42 1HB ASP 42 4.103 18.627 8.681 313 HB3 ASP 42 2HB ASP 42 3.280 19.530 7.406 314 H LYS 43 H LYS 43 4.037 16.698 8.178 315 HA LYS 43 HA LYS 43 4.777 14.992 6.833 316 HB2 LYS 43 1HB LYS 43 1.867 14.645 6.127 317 HB3 LYS 43 2HB LYS 43 3.168 13.478 5.868 318 HG2 LYS 43 1HG LYS 43 3.311 12.983 8.155 319 HG3 LYS 43 2HG LYS 43 2.398 14.439 8.585 320 HD2 LYS 43 1HD LYS 43 1.199 12.190 6.998 321 HD3 LYS 43 2HD LYS 43 1.175 12.212 8.758 322 HE2 LYS 43 1HE LYS 43 -0.941 13.075 7.948 323 HE3 LYS 43 2HE LYS 43 -0.038 14.396 8.671 324 HZ1 LYS 43 3HZ LYS 43 -1.221 14.869 6.533 325 HZ2 LYS 43 1HZ LYS 43 -0.135 13.882 5.743 326 HZ3 LYS 43 2HZ LYS 43 0.380 15.314 6.508 327 H ALA 44 H ALA 44 4.172 17.759 5.817 328 HA ALA 44 HA ALA 44 3.500 17.151 3.054 329 HB1 ALA 44 3HB ALA 44 2.048 18.803 4.124 330 HB2 ALA 44 1HB ALA 44 2.916 19.484 2.751 331 HB3 ALA 44 2HB ALA 44 3.433 19.855 4.395 332 H GLU 45 H GLU 45 5.375 19.886 4.218 333 HA GLU 45 HA GLU 45 7.046 19.655 1.916 334 HB2 GLU 45 1HB GLU 45 7.263 21.481 4.297 335 HB3 GLU 45 2HB GLU 45 8.259 21.601 2.840 336 HG2 GLU 45 1HG GLU 45 5.274 21.928 3.009 337 HG3 GLU 45 2HG GLU 45 6.461 23.210 2.775 338 H GLU 46 H GLU 46 7.270 18.498 5.110 339 HA GLU 46 HA GLU 46 10.099 18.066 4.846 340 HB2 GLU 46 1HB GLU 46 9.906 16.936 7.130 341 HB3 GLU 46 2HB GLU 46 9.615 18.674 7.047 342 HG2 GLU 46 1HG GLU 46 7.415 16.629 7.072 343 HG3 GLU 46 2HG GLU 46 8.097 17.324 8.544 344 H GLU 47 H GLU 47 7.417 16.391 3.778 345 HA GLU 47 HA GLU 47 9.129 14.179 3.316 346 HB2 GLU 47 1HB GLU 47 7.525 13.472 5.072 347 HB3 GLU 47 2HB GLU 47 6.251 14.011 3.939 348 HG2 GLU 47 1HG GLU 47 6.709 12.358 2.413 349 HG3 GLU 47 2HG GLU 47 8.244 11.945 3.196 350 H THR 48 H THR 48 9.489 15.244 1.655 351 HA THR 48 HA THR 48 7.630 15.071 -0.545 352 HB THR 48 HB THR 48 9.392 17.491 -0.040 353 HG1 THR 48 HG1 THR 48 7.216 17.115 1.117 354 HG21 THR 48 3HG2 THR 48 9.188 16.952 -2.400 355 HG22 THR 48 1HG2 THR 48 8.279 18.422 -2.035 356 HG23 THR 48 2HG2 THR 48 7.429 16.885 -2.257 357 H GLU 49 H GLU 49 8.742 13.250 -0.803 358 HA GLU 49 HA GLU 49 11.462 13.315 -1.842 359 HB2 GLU 49 1HB GLU 49 9.396 11.104 -1.701 360 HB3 GLU 49 2HB GLU 49 11.023 10.887 -2.355 361 HG2 GLU 49 1HG GLU 49 10.311 11.615 0.484 362 HG3 GLU 49 2HG GLU 49 10.851 10.036 -0.085 363 H GLU 50 H GLU 50 11.660 12.191 -4.131 364 HA GLU 50 HA GLU 50 10.166 13.842 -5.909 365 HB2 GLU 50 1HB GLU 50 11.989 11.527 -6.573 366 HB3 GLU 50 2HB GLU 50 11.400 12.738 -7.703 367 HG2 GLU 50 1HG GLU 50 12.579 14.462 -6.462 368 HG3 GLU 50 2HG GLU 50 13.183 13.248 -5.341 369 H LYS 51 H LYS 51 10.417 10.352 -5.897 370 HA LYS 51 HA LYS 51 7.592 10.318 -6.113 371 HB2 LYS 51 1HB LYS 51 7.686 8.443 -7.691 372 HB3 LYS 51 2HB LYS 51 8.082 10.012 -8.419 373 HG2 LYS 51 1HG LYS 51 9.997 7.917 -7.521 374 HG3 LYS 51 2HG LYS 51 9.349 7.946 -9.171 375 HD2 LYS 51 1HD LYS 51 10.905 10.083 -7.794 376 HD3 LYS 51 2HD LYS 51 11.612 8.950 -8.968 377 HE2 LYS 51 1HE LYS 51 9.506 11.084 -9.461 378 HE3 LYS 51 2HE LYS 51 11.164 11.098 -10.037 379 HZ1 LYS 51 3HZ LYS 51 9.041 9.192 -10.868 380 HZ2 LYS 51 1HZ LYS 51 10.657 9.135 -11.386 381 HZ3 LYS 51 2HZ LYS 51 9.669 10.455 -11.767 382 HA PRO 52 HA PRO 52 8.747 7.293 -3.010 383 HB2 PRO 52 1HB PRO 52 6.639 7.792 -1.363 384 HB3 PRO 52 2HB PRO 52 8.091 8.806 -1.393 385 HG2 PRO 52 1HG PRO 52 5.463 9.275 -2.706 386 HG3 PRO 52 2HG PRO 52 6.464 10.382 -1.746 387 HD2 PRO 52 1HD PRO 52 6.526 10.371 -4.496 388 HD3 PRO 52 2HD PRO 52 7.925 10.772 -3.449 389 H SER 53 H SER 53 7.986 5.197 -3.120 390 HA SER 53 HA SER 53 6.100 4.696 -5.130 391 HG SER 53 HG SER 53 8.682 3.316 -2.877 392 HB2 SER 53 1HB SER 53 6.550 2.327 -4.425 393 HB3 SER 53 2HB SER 53 7.974 3.247 -4.947 394 H VAL 54 H VAL 54 4.224 3.579 -4.850 395 HA VAL 54 HA VAL 54 3.009 3.794 -2.146 396 HB VAL 54 HB VAL 54 1.491 4.389 -4.727 397 HG11 VAL 54 1HG1 VAL 54 0.202 3.371 -2.890 398 HG12 VAL 54 2HG1 VAL 54 -0.310 4.999 -3.319 399 HG13 VAL 54 3HG1 VAL 54 0.651 4.737 -1.856 400 HG21 VAL 54 3HG2 VAL 54 3.115 6.171 -4.126 401 HG22 VAL 54 1HG2 VAL 54 2.332 6.322 -2.555 402 HG23 VAL 54 2HG2 VAL 54 1.428 6.688 -4.032 403 H TRP 55 H TRP 55 2.684 2.087 -1.440 404 HA TRP 55 HA TRP 55 2.117 -0.221 -3.150 405 HD1 TRP 55 HD1 TRP 55 5.338 1.440 -1.466 406 HE1 TRP 55 HE1 TRP 55 7.417 0.869 -2.832 407 HE3 TRP 55 HE3 TRP 55 3.984 -3.213 -3.091 408 HZ2 TRP 55 HZ2 TRP 55 8.391 -1.290 -4.384 409 HZ3 TRP 55 HZ3 TRP 55 5.556 -4.470 -4.501 410 HH2 TRP 55 HH2 TRP 55 7.711 -3.526 -5.139 411 HB2 TRP 55 1HB TRP 55 3.414 -0.188 -0.412 412 HB3 TRP 55 2HB TRP 55 3.043 -1.638 -1.350 413 H LEU 56 H LEU 56 0.331 -1.057 -2.981 414 HA LEU 56 HA LEU 56 -1.507 -0.293 -0.823 415 HG LEU 56 HG LEU 56 -3.711 -1.635 -1.243 416 HB2 LEU 56 1HB LEU 56 -2.361 0.193 -2.986 417 HB3 LEU 56 2HB LEU 56 -2.164 -1.467 -3.536 418 HD11 LEU 56 1HD1 LEU 56 -5.592 -0.144 -1.634 419 HD12 LEU 56 2HD1 LEU 56 -4.659 0.688 -2.876 420 HD13 LEU 56 3HD1 LEU 56 -4.112 0.706 -1.196 421 HD21 LEU 56 3HD2 LEU 56 -4.427 -1.697 -4.140 422 HD22 LEU 56 1HD2 LEU 56 -5.511 -2.228 -2.830 423 HD23 LEU 56 2HD2 LEU 56 -3.963 -3.035 -3.071 424 H CYS 57 H CYS 57 -1.966 -1.678 0.698 425 HA CYS 57 HA CYS 57 -1.020 -4.352 0.942 426 HB2 CYS 57 1HB CYS 57 -1.646 -2.661 2.741 427 HB3 CYS 57 2HB CYS 57 -3.325 -3.025 2.377 428 H LEU 58 H LEU 58 -1.694 -5.987 -0.394 429 HA LEU 58 HA LEU 58 -4.193 -6.003 -1.738 430 HG LEU 58 HG LEU 58 -1.993 -5.850 -3.035 431 HB2 LEU 58 1HB LEU 58 -1.894 -7.829 -1.267 432 HB3 LEU 58 2HB LEU 58 -3.308 -8.377 -2.148 433 HD11 LEU 58 1HD1 LEU 58 -0.541 -7.132 -4.465 434 HD12 LEU 58 2HD1 LEU 58 -1.042 -8.643 -3.671 435 HD13 LEU 58 3HD1 LEU 58 -0.154 -7.395 -2.770 436 HD21 LEU 58 3HD2 LEU 58 -3.349 -8.150 -4.364 437 HD22 LEU 58 1HD2 LEU 58 -2.768 -6.694 -5.176 438 HD23 LEU 58 2HD2 LEU 58 -4.086 -6.586 -3.991 439 H LYS 59 H LYS 59 -3.264 -6.640 1.201 440 HA LYS 59 HA LYS 59 -5.211 -8.641 1.852 441 HB2 LYS 59 1HB LYS 59 -3.151 -8.736 3.002 442 HB3 LYS 59 2HB LYS 59 -3.302 -7.068 3.560 443 HG2 LYS 59 1HG LYS 59 -3.821 -8.485 5.388 444 HG3 LYS 59 2HG LYS 59 -5.259 -7.693 4.704 445 HD2 LYS 59 1HD LYS 59 -6.003 -9.507 3.715 446 HD3 LYS 59 2HD LYS 59 -4.614 -10.547 3.819 447 HE2 LYS 59 1HE LYS 59 -4.921 -10.257 6.361 448 HE3 LYS 59 2HE LYS 59 -6.562 -9.690 5.898 449 HZ1 LYS 59 3HZ LYS 59 -7.060 -11.884 4.999 450 HZ2 LYS 59 1HZ LYS 59 -6.447 -12.022 6.559 451 HZ3 LYS 59 2HZ LYS 59 -5.460 -12.396 5.260 452 H CYS 60 H CYS 60 -4.878 -5.165 2.499 453 HA CYS 60 HA CYS 60 -7.749 -5.212 3.245 454 HB2 CYS 60 1HB CYS 60 -7.470 -3.984 5.237 455 HB3 CYS 60 2HB CYS 60 -6.248 -5.278 5.215 456 H GLY 61 H GLY 61 -5.762 -3.885 1.158 457 HA2 GLY 61 1HA GLY 61 -6.105 -2.169 -0.305 458 HA3 GLY 61 2HA GLY 61 -7.622 -1.812 0.532 459 H HIS 62 H HIS 62 -4.919 -1.942 2.518 460 HA HIS 62 HA HIS 62 -4.929 0.902 3.116 461 HD1 HIS 62 HD1 HIS 62 -0.882 0.133 4.070 462 HD2 HIS 62 HD2 HIS 62 -4.099 1.692 6.180 463 HE1 HIS 62 HE1 HIS 62 0.057 1.925 5.554 464 HB2 HIS 62 1HB HIS 62 -4.432 -0.745 4.877 465 HB3 HIS 62 2HB HIS 62 -3.040 -1.306 3.947 466 H GLN 63 H GLN 63 -4.050 2.277 2.004 467 HA GLN 63 HA GLN 63 -1.997 1.458 0.148 468 HB2 GLN 63 1HB GLN 63 -4.143 2.953 -0.260 469 HB3 GLN 63 2HB GLN 63 -2.984 4.217 0.165 470 HG2 GLN 63 1HG GLN 63 -1.492 3.456 -1.558 471 HG3 GLN 63 2HG GLN 63 -2.651 2.196 -2.014 472 HE21 GLN 63 1HE2 GLN 63 -4.894 4.042 -1.533 473 HE22 GLN 63 2HE2 GLN 63 -4.843 5.156 -2.864 474 H GLY 64 H GLY 64 -0.041 1.836 0.679 475 HA2 GLY 64 1HA GLY 64 0.661 3.967 2.563 476 HA3 GLY 64 2HA GLY 64 1.290 2.326 2.693 477 H CYS 65 H CYS 65 2.862 4.455 2.554 478 HA CYS 65 HA CYS 65 3.779 4.578 -0.171 479 HB2 CYS 65 1HB CYS 65 5.240 6.432 0.758 480 HB3 CYS 65 2HB CYS 65 3.503 6.717 0.838 481 H GLY 66 H GLY 66 5.792 3.932 -0.708 482 HA2 GLY 66 1HA GLY 66 6.689 1.601 0.605 483 HA3 GLY 66 2HA GLY 66 7.402 2.353 -0.822 484 H ARG 67 H ARG 67 9.212 1.391 0.338 485 HA ARG 67 HA ARG 67 10.131 2.427 2.794 486 HE ARG 67 HE ARG 67 10.875 -1.482 -0.596 487 HB2 ARG 67 1HB ARG 67 12.025 1.037 2.505 488 HB3 ARG 67 2HB ARG 67 10.634 0.168 1.885 489 HG2 ARG 67 1HG ARG 67 11.332 1.028 -0.402 490 HG3 ARG 67 2HG ARG 67 12.821 1.502 0.415 491 HD2 ARG 67 1HD ARG 67 13.202 -0.698 -0.536 492 HD3 ARG 67 2HD ARG 67 13.107 -0.840 1.220 493 HH11 ARG 67 1HH1 ARG 67 12.714 -2.257 2.373 494 HH12 ARG 67 2HH1 ARG 67 11.810 -3.658 2.663 495 HH21 ARG 67 1HH2 ARG 67 9.714 -3.425 -0.137 496 HH22 ARG 67 2HH2 ARG 67 10.091 -4.338 1.270 497 H ASN 68 H ASN 68 10.142 3.877 -0.163 498 HA ASN 68 HA ASN 68 12.615 5.311 0.389 499 HB2 ASN 68 1HB ASN 68 12.254 6.264 -1.718 500 HB3 ASN 68 2HB ASN 68 12.716 4.537 -1.840 501 HD21 ASN 68 1HD2 ASN 68 11.704 5.920 -3.962 502 HD22 ASN 68 2HD2 ASN 68 10.098 5.389 -4.330 503 H SER 69 H SER 69 9.994 5.662 1.538 504 HA SER 69 HA SER 69 9.635 8.525 1.016 505 HG SER 69 HG SER 69 7.807 5.530 2.259 506 HB2 SER 69 1HB SER 69 7.511 8.322 2.266 507 HB3 SER 69 2HB SER 69 7.581 7.189 0.916 508 H GLN 70 H GLN 70 8.826 9.470 3.601 509 HA GLN 70 HA GLN 70 11.315 9.235 5.070 510 HB2 GLN 70 1HB GLN 70 10.138 11.403 4.868 511 HB3 GLN 70 2HB GLN 70 8.760 10.718 5.734 512 HG2 GLN 70 1HG GLN 70 10.476 10.255 7.607 513 HG3 GLN 70 2HG GLN 70 11.481 11.429 6.760 514 HE21 GLN 70 1HE2 GLN 70 8.700 10.930 8.745 515 HE22 GLN 70 2HE2 GLN 70 8.335 12.605 8.985 516 H GLU 71 H GLU 71 7.913 8.520 5.452 517 HA GLU 71 HA GLU 71 8.357 7.344 8.062 518 HB2 GLU 71 1HB GLU 71 5.878 7.890 6.510 519 HB3 GLU 71 2HB GLU 71 5.881 6.986 8.032 520 HG2 GLU 71 1HG GLU 71 6.850 9.789 7.616 521 HG3 GLU 71 2HG GLU 71 5.354 9.270 8.425 522 H GLN 72 H GLN 72 7.602 6.276 4.871 523 HA GLN 72 HA GLN 72 7.340 4.244 3.937 524 HB2 GLN 72 1HB GLN 72 8.997 3.286 6.300 525 HB3 GLN 72 2HB GLN 72 8.834 2.455 4.746 526 HG2 GLN 72 1HG GLN 72 9.947 4.376 3.649 527 HG3 GLN 72 2HG GLN 72 10.109 5.108 5.258 528 HE21 GLN 72 1HE2 GLN 72 10.641 1.751 4.611 529 HE22 GLN 72 2HE2 GLN 72 12.327 1.979 4.981 530 H HIS 73 H HIS 73 5.077 4.878 4.971 531 HA HIS 73 HA HIS 73 4.132 3.748 7.227 532 HD2 HIS 73 HD2 HIS 73 3.280 5.547 8.621 533 HE1 HIS 73 HE1 HIS 73 2.299 9.051 6.397 534 HE2 HIS 73 HE2 HIS 73 2.832 8.094 8.796 535 HB2 HIS 73 1HB HIS 73 2.968 4.825 4.734 536 HB3 HIS 73 2HB HIS 73 1.949 4.112 5.978 537 H ALA 74 H ALA 74 4.322 2.367 4.013 538 HA ALA 74 HA ALA 74 2.599 0.058 4.497 539 HB1 ALA 74 3HB ALA 74 3.606 -0.856 2.487 540 HB2 ALA 74 1HB ALA 74 4.882 0.361 2.531 541 HB3 ALA 74 2HB ALA 74 3.218 0.841 2.206 542 H LEU 75 H LEU 75 5.946 0.770 5.060 543 HA LEU 75 HA LEU 75 6.714 -1.913 5.701 544 HG LEU 75 HG LEU 75 9.735 0.265 4.633 545 HB2 LEU 75 1HB LEU 75 7.994 0.793 6.194 546 HB3 LEU 75 2HB LEU 75 8.732 -0.731 6.673 547 HD11 LEU 75 1HD1 LEU 75 9.737 -1.700 3.285 548 HD12 LEU 75 2HD1 LEU 75 8.363 -2.350 4.209 549 HD13 LEU 75 3HD1 LEU 75 9.925 -2.056 5.003 550 HD21 LEU 75 3HD2 LEU 75 8.548 0.194 2.504 551 HD22 LEU 75 1HD2 LEU 75 7.715 1.269 3.624 552 HD23 LEU 75 2HD2 LEU 75 7.086 -0.344 3.323 553 H LYS 76 H LYS 76 6.157 1.069 7.697 554 HA LYS 76 HA LYS 76 6.118 -0.115 10.107 555 HB2 LYS 76 1HB LYS 76 4.538 2.196 9.025 556 HB3 LYS 76 2HB LYS 76 4.596 1.750 10.741 557 HG2 LYS 76 1HG LYS 76 7.008 1.980 10.646 558 HG3 LYS 76 2HG LYS 76 6.837 2.485 8.951 559 HD2 LYS 76 1HD LYS 76 5.709 4.469 9.561 560 HD3 LYS 76 2HD LYS 76 5.435 3.897 11.220 561 HE2 LYS 76 1HE LYS 76 7.832 3.771 11.470 562 HE3 LYS 76 2HE LYS 76 8.047 4.622 9.934 563 HZ1 LYS 76 3HZ LYS 76 8.138 6.169 11.884 564 HZ2 LYS 76 1HZ LYS 76 6.581 5.749 12.286 565 HZ3 LYS 76 2HZ LYS 76 6.893 6.596 10.865 566 H HIS 77 H HIS 77 3.605 -0.202 7.655 567 HA HIS 77 HA HIS 77 1.542 -1.102 9.416 568 HD1 HIS 77 HD1 HIS 77 -1.276 -0.338 8.437 569 HD2 HIS 77 HD2 HIS 77 0.014 -3.323 5.826 570 HE1 HIS 77 HE1 HIS 77 -3.322 -1.583 7.737 571 HB2 HIS 77 1HB HIS 77 1.075 0.077 7.352 572 HB3 HIS 77 2HB HIS 77 1.779 -1.233 6.396 573 H TYR 78 H TYR 78 3.947 -2.629 7.420 574 HA TYR 78 HA TYR 78 2.991 -5.260 8.030 575 HD1 TYR 78 HD1 TYR 78 3.694 -7.469 7.039 576 HD2 TYR 78 HD2 TYR 78 7.467 -5.552 7.525 577 HE1 TYR 78 HE1 TYR 78 4.756 -9.653 7.414 578 HE2 TYR 78 HE2 TYR 78 8.534 -7.727 7.901 579 HH TYR 78 HH TYR 78 7.952 -9.936 8.595 580 HB2 TYR 78 1HB TYR 78 4.292 -5.021 6.116 581 HB3 TYR 78 2HB TYR 78 5.622 -4.240 6.987 582 H LEU 79 H LEU 79 5.366 -2.977 9.579 583 HA LEU 79 HA LEU 79 6.250 -4.961 11.336 584 HG LEU 79 HG LEU 79 7.677 -2.935 9.299 585 HB2 LEU 79 1HB LEU 79 6.621 -1.973 11.226 586 HB3 LEU 79 2HB LEU 79 7.481 -3.076 12.300 587 HD11 LEU 79 1HD1 LEU 79 9.695 -2.383 11.456 588 HD12 LEU 79 2HD1 LEU 79 8.919 -1.197 10.402 589 HD13 LEU 79 3HD1 LEU 79 10.020 -2.396 9.725 590 HD21 LEU 79 3HD2 LEU 79 8.924 -4.888 11.220 591 HD22 LEU 79 1HD2 LEU 79 9.342 -4.736 9.500 592 HD23 LEU 79 2HD2 LEU 79 7.707 -5.211 9.984 593 H THR 80 H THR 80 3.493 -3.336 11.036 594 HA THR 80 HA THR 80 2.853 -2.692 13.739 595 HB THR 80 HB THR 80 1.072 -3.686 11.495 596 HG1 THR 80 HG1 THR 80 2.343 -1.495 11.581 597 HG21 THR 80 3HG2 THR 80 0.304 -2.342 14.104 598 HG22 THR 80 1HG2 THR 80 -0.000 -4.024 13.650 599 HG23 THR 80 2HG2 THR 80 -0.797 -2.725 12.771 600 HA PRO 81 HA PRO 81 2.953 -6.997 15.044 601 HB2 PRO 81 1HB PRO 81 2.348 -6.632 17.641 602 HB3 PRO 81 2HB PRO 81 3.954 -6.292 16.949 603 HG2 PRO 81 1HG PRO 81 1.747 -4.409 17.639 604 HG3 PRO 81 2HG PRO 81 3.523 -4.279 17.815 605 HD2 PRO 81 1HD PRO 81 2.061 -3.109 15.783 606 HD3 PRO 81 2HD PRO 81 3.801 -3.489 15.710 607 H ARG 82 H ARG 82 1.327 -7.204 13.867 608 HA ARG 82 HA ARG 82 -1.379 -7.403 15.060 609 HE ARG 82 HE ARG 82 -0.056 -4.858 10.378 610 HB2 ARG 82 1HB ARG 82 -2.257 -7.399 12.743 611 HB3 ARG 82 2HB ARG 82 -1.321 -5.947 13.118 612 HG2 ARG 82 1HG ARG 82 0.550 -6.808 11.879 613 HG3 ARG 82 2HG ARG 82 -0.307 -8.333 11.599 614 HD2 ARG 82 1HD ARG 82 -0.482 -7.045 9.627 615 HD3 ARG 82 2HD ARG 82 -2.065 -6.986 10.417 616 HH11 ARG 82 1HH1 ARG 82 -3.510 -5.824 10.707 617 HH12 ARG 82 2HH1 ARG 82 -4.082 -4.241 10.725 618 HH21 ARG 82 1HH2 ARG 82 -0.930 -2.636 10.390 619 HH22 ARG 82 2HH2 ARG 82 -2.602 -2.414 10.551 620 H SER 83 H SER 83 -2.604 -9.317 14.739 621 HA SER 83 HA SER 83 -1.075 -11.710 14.755 622 HG SER 83 HG SER 83 -2.469 -13.543 15.389 623 HB2 SER 83 1HB SER 83 -3.102 -11.424 16.153 624 HB3 SER 83 2HB SER 83 -4.086 -11.322 14.697 625 H GLU 84 H GLU 84 -3.272 -10.192 12.465 626 HA GLU 84 HA GLU 84 -3.129 -12.223 10.463 627 HB2 GLU 84 1HB GLU 84 -3.814 -9.312 10.402 628 HB3 GLU 84 2HB GLU 84 -3.889 -10.361 8.990 629 HG2 GLU 84 1HG GLU 84 -5.378 -11.112 11.442 630 HG3 GLU 84 2HG GLU 84 -6.073 -9.945 10.316 631 HA PRO 85 HA PRO 85 0.737 -11.112 8.814 632 HB2 PRO 85 1HB PRO 85 0.527 -11.761 6.163 633 HB3 PRO 85 2HB PRO 85 0.702 -12.954 7.467 634 HG2 PRO 85 1HG PRO 85 -1.714 -12.132 5.944 635 HG3 PRO 85 2HG PRO 85 -1.280 -13.716 6.625 636 HD2 PRO 85 1HD PRO 85 -3.076 -11.917 7.750 637 HD3 PRO 85 2HD PRO 85 -2.246 -13.234 8.612 638 H HIS 86 H HIS 86 -1.654 -10.062 6.338 639 HA HIS 86 HA HIS 86 -1.793 -8.178 4.995 640 HD2 HIS 86 HD2 HIS 86 -3.004 -8.693 8.297 641 HE1 HIS 86 HE1 HIS 86 -5.704 -5.620 7.295 642 HE2 HIS 86 HE2 HIS 86 -5.416 -7.790 8.552 643 HB2 HIS 86 1HB HIS 86 -0.733 -6.913 7.536 644 HB3 HIS 86 2HB HIS 86 -1.199 -5.979 6.107 645 H CYS 87 H CYS 87 0.310 -9.723 4.546 646 HA CYS 87 HA CYS 87 2.643 -8.069 4.657 647 HG CYS 87 HG CYS 87 1.486 -11.458 2.850 648 HB2 CYS 87 1HB CYS 87 3.822 -10.169 3.927 649 HB3 CYS 87 2HB CYS 87 3.091 -10.076 5.536 650 H LEU 88 H LEU 88 0.372 -8.169 2.547 651 HA LEU 88 HA LEU 88 2.022 -8.300 0.118 652 HG LEU 88 HG LEU 88 1.218 -10.726 0.787 653 HB2 LEU 88 1HB LEU 88 -0.653 -9.465 0.690 654 HB3 LEU 88 2HB LEU 88 -0.308 -9.009 -0.944 655 HD11 LEU 88 1HD1 LEU 88 -0.486 -11.463 -1.630 656 HD12 LEU 88 2HD1 LEU 88 -0.865 -11.862 0.064 657 HD13 LEU 88 3HD1 LEU 88 0.549 -12.584 -0.735 658 HD21 LEU 88 3HD2 LEU 88 2.355 -11.504 -1.369 659 HD22 LEU 88 1HD2 LEU 88 2.781 -9.916 -0.718 660 HD23 LEU 88 2HD2 LEU 88 1.654 -10.047 -2.062 661 H VAL 89 H VAL 89 2.369 -6.801 -0.805 662 HA VAL 89 HA VAL 89 0.273 -4.796 -0.974 663 HB VAL 89 HB VAL 89 1.915 -2.988 -0.770 664 HG11 VAL 89 1HG1 VAL 89 2.455 -3.138 1.633 665 HG12 VAL 89 2HG1 VAL 89 1.890 -4.815 1.604 666 HG13 VAL 89 3HG1 VAL 89 0.768 -3.491 1.255 667 HG21 VAL 89 3HG2 VAL 89 3.887 -5.107 0.023 668 HG22 VAL 89 1HG2 VAL 89 4.191 -3.360 -0.034 669 HG23 VAL 89 2HG2 VAL 89 3.823 -4.263 -1.522 670 H LEU 90 H LEU 90 0.136 -3.965 -2.964 671 HA LEU 90 HA LEU 90 2.109 -4.883 -4.920 672 HG LEU 90 HG LEU 90 -0.955 -2.938 -4.843 673 HB2 LEU 90 1HB LEU 90 0.422 -4.841 -6.576 674 HB3 LEU 90 2HB LEU 90 -0.396 -5.426 -5.139 675 HD11 LEU 90 1HD1 LEU 90 -0.667 -3.227 -7.818 676 HD12 LEU 90 2HD1 LEU 90 0.305 -2.191 -6.799 677 HD13 LEU 90 3HD1 LEU 90 -1.422 -1.830 -7.036 678 HD21 LEU 90 3HD2 LEU 90 -2.412 -4.755 -6.757 679 HD22 LEU 90 1HD2 LEU 90 -3.098 -3.301 -6.037 680 HD23 LEU 90 2HD2 LEU 90 -2.633 -4.645 -5.004 681 H SER 91 H SER 91 2.976 -3.337 -6.383 682 HA SER 91 HA SER 91 3.202 -0.714 -5.207 683 HG SER 91 HG SER 91 3.537 -1.944 -8.207 684 HB2 SER 91 1HB SER 91 5.121 -0.526 -6.622 685 HB3 SER 91 2HB SER 91 5.051 -2.242 -6.176 686 H LEU 92 H LEU 92 2.265 1.079 -6.105 687 HA LEU 92 HA LEU 92 0.615 0.815 -8.481 688 HG LEU 92 HG LEU 92 -0.457 1.050 -5.885 689 HB2 LEU 92 1HB LEU 92 1.121 2.970 -6.464 690 HB3 LEU 92 2HB LEU 92 0.109 3.244 -7.880 691 HD11 LEU 92 1HD1 LEU 92 -0.452 3.270 -4.813 692 HD12 LEU 92 2HD1 LEU 92 -2.036 2.500 -4.894 693 HD13 LEU 92 3HD1 LEU 92 -1.629 3.799 -6.023 694 HD21 LEU 92 3HD2 LEU 92 -2.174 2.550 -7.775 695 HD22 LEU 92 1HD2 LEU 92 -2.629 1.138 -6.827 696 HD23 LEU 92 2HD2 LEU 92 -1.463 0.964 -8.164 697 H ASP 93 H ASP 93 3.626 0.865 -8.249 698 HA ASP 93 HA ASP 93 4.242 3.120 -10.018 699 HB2 ASP 93 1HB ASP 93 6.004 1.530 -8.140 700 HB3 ASP 93 2HB ASP 93 6.616 2.724 -9.292 701 H ASN 94 H ASN 94 5.413 -0.195 -9.359 702 HA ASN 94 HA ASN 94 5.961 -0.453 -12.252 703 HB2 ASN 94 1HB ASN 94 6.995 -2.081 -9.917 704 HB3 ASN 94 2HB ASN 94 7.359 -2.406 -11.613 705 HD21 ASN 94 1HD2 ASN 94 9.078 -1.846 -9.384 706 HD22 ASN 94 2HD2 ASN 94 10.022 -0.451 -9.799 707 H TRP 95 H TRP 95 3.674 -1.080 -10.105 708 HA TRP 95 HA TRP 95 2.013 -2.537 -9.747 709 HD1 TRP 95 HD1 TRP 95 2.050 -0.556 -13.488 710 HE1 TRP 95 HE1 TRP 95 0.162 1.152 -13.181 711 HE3 TRP 95 HE3 TRP 95 -0.733 -3.026 -9.994 712 HZ2 TRP 95 HZ2 TRP 95 -2.179 1.439 -11.652 713 HZ3 TRP 95 HZ3 TRP 95 -2.787 -1.961 -9.157 714 HH2 TRP 95 HH2 TRP 95 -3.495 0.226 -9.969 715 HB2 TRP 95 1HB TRP 95 2.428 -3.027 -12.699 716 HB3 TRP 95 2HB TRP 95 1.120 -3.779 -11.790 717 H SER 96 H SER 96 4.488 -3.402 -8.867 718 HA SER 96 HA SER 96 4.586 -6.234 -9.492 719 HG SER 96 HG SER 96 7.788 -4.652 -9.394 720 HB2 SER 96 1HB SER 96 6.242 -4.608 -7.622 721 HB3 SER 96 2HB SER 96 6.563 -6.234 -8.229 722 H VAL 97 H VAL 97 5.021 -7.527 -7.395 723 HA VAL 97 HA VAL 97 3.192 -6.542 -5.361 724 HB VAL 97 HB VAL 97 3.822 -9.406 -6.016 725 HG11 VAL 97 1HG1 VAL 97 1.588 -8.083 -4.738 726 HG12 VAL 97 2HG1 VAL 97 2.953 -8.837 -3.840 727 HG13 VAL 97 3HG1 VAL 97 1.815 -9.834 -4.856 728 HG21 VAL 97 3HG2 VAL 97 2.843 -8.510 -7.933 729 HG22 VAL 97 1HG2 VAL 97 1.540 -7.768 -6.983 730 HG23 VAL 97 2HG2 VAL 97 1.691 -9.531 -7.055 731 H TRP 98 H TRP 98 3.919 -6.907 -3.244 732 HA TRP 98 HA TRP 98 6.561 -8.110 -3.006 733 HD1 TRP 98 HD1 TRP 98 6.952 -6.763 0.833 734 HE1 TRP 98 HE1 TRP 98 9.405 -7.394 1.290 735 HE3 TRP 98 HE3 TRP 98 8.766 -6.314 -3.904 736 HZ2 TRP 98 HZ2 TRP 98 11.744 -7.653 -0.166 737 HZ3 TRP 98 HZ3 TRP 98 11.119 -6.767 -4.319 738 HH2 TRP 98 HH2 TRP 98 12.622 -7.412 -2.481 739 HB2 TRP 98 1HB TRP 98 6.603 -5.506 -2.733 740 HB3 TRP 98 2HB TRP 98 5.685 -5.820 -1.258 741 H CYS 99 H CYS 99 6.730 -9.650 -1.423 742 HA CYS 99 HA CYS 99 4.505 -9.698 0.449 743 HB2 CYS 99 1HB CYS 99 4.270 -11.634 -0.963 744 HB3 CYS 99 2HB CYS 99 5.969 -12.073 -0.781 745 H TYR 100 H TYR 100 5.164 -9.217 2.273 746 HA TYR 100 HA TYR 100 7.915 -8.713 2.753 747 HD1 TYR 100 HD1 TYR 100 8.137 -6.212 3.780 748 HD2 TYR 100 HD2 TYR 100 4.099 -7.407 3.749 749 HE1 TYR 100 HE1 TYR 100 7.510 -3.935 3.094 750 HE2 TYR 100 HE2 TYR 100 3.414 -5.116 3.044 751 HH TYR 100 HH TYR 100 4.296 -2.875 3.172 752 HB2 TYR 100 1HB TYR 100 5.620 -8.773 4.656 753 HB3 TYR 100 2HB TYR 100 7.248 -8.220 5.050 754 H VAL 101 H VAL 101 5.874 -11.380 3.505 755 HA VAL 101 HA VAL 101 7.782 -12.452 5.400 756 HB VAL 101 HB VAL 101 5.412 -12.680 5.926 757 HG11 VAL 101 1HG1 VAL 101 5.299 -14.289 3.441 758 HG12 VAL 101 2HG1 VAL 101 4.577 -12.725 3.720 759 HG13 VAL 101 3HG1 VAL 101 3.962 -14.153 4.598 760 HG21 VAL 101 3HG2 VAL 101 6.872 -14.418 6.820 761 HG22 VAL 101 1HG2 VAL 101 6.665 -15.363 5.347 762 HG23 VAL 101 2HG2 VAL 101 5.292 -15.095 6.421 763 H CYS 102 H CYS 102 7.056 -12.787 2.007 764 HA CYS 102 HA CYS 102 8.633 -15.215 1.755 765 HB2 CYS 102 1HB CYS 102 7.268 -13.338 -0.160 766 HB3 CYS 102 2HB CYS 102 8.542 -14.400 -0.757 767 H ASP 103 H ASP 103 8.707 -11.845 1.634 768 HA ASP 103 HA ASP 103 10.205 -10.230 1.648 769 HB2 ASP 103 1HB ASP 103 11.161 -11.535 3.483 770 HB3 ASP 103 2HB ASP 103 12.210 -12.388 2.343 771 H ASN 104 H ASN 104 9.465 -10.981 -0.803 772 HA ASN 104 HA ASN 104 11.688 -10.178 -2.282 773 HB2 ASN 104 1HB ASN 104 11.689 -12.036 -3.794 774 HB3 ASN 104 2HB ASN 104 11.827 -12.673 -2.131 775 HD21 ASN 104 1HD2 ASN 104 9.793 -12.260 -4.830 776 HD22 ASN 104 2HD2 ASN 104 8.464 -13.157 -4.242 777 H GLU 105 H GLU 105 10.718 -10.203 -4.651 778 HA GLU 105 HA GLU 105 8.252 -8.752 -4.626 779 HB2 GLU 105 1HB GLU 105 10.292 -8.208 -5.801 780 HB3 GLU 105 2HB GLU 105 10.000 -9.554 -6.899 781 HG2 GLU 105 1HG GLU 105 7.956 -8.709 -7.614 782 HG3 GLU 105 2HG GLU 105 8.006 -7.417 -6.409 783 H VAL 106 H VAL 106 6.365 -9.762 -5.237 784 HA VAL 106 HA VAL 106 6.543 -12.563 -6.108 785 HB VAL 106 HB VAL 106 4.063 -11.160 -5.035 786 HG11 VAL 106 1HG1 VAL 106 3.577 -13.080 -6.512 787 HG12 VAL 106 2HG1 VAL 106 3.160 -13.429 -4.834 788 HG13 VAL 106 3HG1 VAL 106 4.638 -14.091 -5.531 789 HG21 VAL 106 3HG2 VAL 106 4.494 -12.471 -3.014 790 HG22 VAL 106 1HG2 VAL 106 5.828 -11.358 -3.359 791 HG23 VAL 106 2HG2 VAL 106 5.976 -13.077 -3.755 792 H GLN 107 H GLN 107 5.500 -13.352 -7.810 793 HA GLN 107 HA GLN 107 4.825 -11.441 -9.876 794 HB2 GLN 107 1HB GLN 107 5.870 -13.051 -11.478 795 HB3 GLN 107 2HB GLN 107 7.024 -12.331 -10.349 796 HG2 GLN 107 1HG GLN 107 5.836 -15.093 -9.997 797 HG3 GLN 107 2HG GLN 107 7.352 -14.790 -10.838 798 HE21 GLN 107 1HE2 GLN 107 6.634 -16.246 -8.289 799 HE22 GLN 107 2HE2 GLN 107 7.694 -15.549 -7.096 800 H TYR 108 H TYR 108 2.779 -11.633 -10.121 801 HA TYR 108 HA TYR 108 1.445 -14.209 -10.125 802 HD1 TYR 108 HD1 TYR 108 -0.494 -11.215 -12.484 803 HD2 TYR 108 HD2 TYR 108 1.121 -10.464 -8.693 804 HE1 TYR 108 HE1 TYR 108 -0.335 -8.811 -13.058 805 HE2 TYR 108 HE2 TYR 108 1.302 -8.149 -9.118 806 HH TYR 108 HH TYR 108 1.425 -6.589 -11.044 807 HB2 TYR 108 1HB TYR 108 -0.612 -12.841 -10.750 808 HB3 TYR 108 2HB TYR 108 0.083 -12.524 -9.156 809 H CYS 109 H CYS 109 0.364 -14.990 -12.041 810 HA CYS 109 HA CYS 109 1.606 -13.910 -14.467 811 HG CYS 109 HG CYS 109 4.076 -14.319 -13.581 812 HB2 CYS 109 1HB CYS 109 1.815 -16.822 -13.682 813 HB3 CYS 109 2HB CYS 109 2.409 -16.091 -15.181 814 H SER 110 H SER 110 -0.392 -13.248 -15.197 815 HA SER 110 HA SER 110 -2.174 -13.329 -16.586 816 HG SER 110 HG SER 110 -0.551 -13.831 -18.239 817 HB2 SER 110 1HB SER 110 -1.449 -16.222 -17.009 818 HB3 SER 110 2HB SER 110 -2.437 -15.210 -18.070 819 H SER 111 H SER 111 -2.127 -15.826 -14.211 820 HA SER 111 HA SER 111 -4.956 -15.443 -13.679 821 HG SER 111 HG SER 111 -4.908 -16.578 -15.679 822 HB2 SER 111 1HB SER 111 -3.554 -18.130 -13.942 823 HB3 SER 111 2HB SER 111 -5.241 -17.868 -13.453 824 H ASN 112 H ASN 112 -4.737 -17.567 -11.601 825 HA ASN 112 HA ASN 112 -4.209 -17.793 -9.420 826 HB2 ASN 112 1HB ASN 112 -1.790 -17.779 -9.961 827 HB3 ASN 112 2HB ASN 112 -1.810 -16.011 -10.026 828 HD21 ASN 112 1HD2 ASN 112 -1.744 -18.800 -7.995 829 HD22 ASN 112 2HD2 ASN 112 -1.473 -17.932 -6.515 830 H GLN 113 H GLN 113 -4.913 -16.799 -7.586 831 HA GLN 113 HA GLN 113 -6.761 -14.804 -7.798 832 HB2 GLN 113 1HB GLN 113 -6.600 -16.307 -5.876 833 HB3 GLN 113 2HB GLN 113 -5.114 -15.506 -5.363 834 HG2 GLN 113 1HG GLN 113 -6.517 -13.407 -5.144 835 HG3 GLN 113 2HG GLN 113 -7.925 -14.473 -5.284 836 HE21 GLN 113 1HE2 GLN 113 -5.295 -13.482 -3.346 837 HE22 GLN 113 2HE2 GLN 113 -5.782 -14.252 -1.877 838 H LEU 114 H LEU 114 -3.231 -14.382 -7.157 839 HA LEU 114 HA LEU 114 -3.374 -11.748 -6.202 840 HG LEU 114 HG LEU 114 -0.533 -11.145 -7.521 841 HB2 LEU 114 1HB LEU 114 -1.578 -13.287 -5.726 842 HB3 LEU 114 2HB LEU 114 -1.245 -13.466 -7.447 843 HD11 LEU 114 1HD1 LEU 114 -0.192 -9.893 -5.458 844 HD12 LEU 114 2HD1 LEU 114 -0.966 -11.196 -4.543 845 HD13 LEU 114 3HD1 LEU 114 -1.891 -10.269 -5.733 846 HD21 LEU 114 3HD2 LEU 114 1.068 -12.902 -7.164 847 HD22 LEU 114 1HD2 LEU 114 0.806 -12.815 -5.425 848 HD23 LEU 114 2HD2 LEU 114 1.544 -11.456 -6.273 849 H GLY 115 H GLY 115 -2.911 -13.198 -9.388 850 HA2 GLY 115 1HA GLY 115 -2.388 -10.688 -10.642 851 HA3 GLY 115 2HA GLY 115 -2.789 -12.191 -11.475 852 H GLN 116 H GLN 116 -5.323 -12.750 -10.184 853 HA GLN 116 HA GLN 116 -7.113 -11.455 -11.698 854 HB2 GLN 116 1HB GLN 116 -7.574 -12.504 -8.950 855 HB3 GLN 116 2HB GLN 116 -8.697 -12.477 -10.309 856 HG2 GLN 116 1HG GLN 116 -6.261 -14.211 -9.977 857 HG3 GLN 116 2HG GLN 116 -7.972 -14.580 -9.893 858 HE21 GLN 116 1HE2 GLN 116 -9.061 -14.974 -11.659 859 HE22 GLN 116 2HE2 GLN 116 -8.333 -15.051 -13.230 860 H VAL 117 H VAL 117 -5.995 -10.829 -8.400 861 HA VAL 117 HA VAL 117 -8.053 -8.969 -8.112 862 HB VAL 117 HB VAL 117 -6.067 -10.027 -6.161 863 HG11 VAL 117 1HG1 VAL 117 -5.936 -7.579 -5.906 864 HG12 VAL 117 2HG1 VAL 117 -6.670 -8.337 -4.485 865 HG13 VAL 117 3HG1 VAL 117 -7.680 -7.499 -5.681 866 HG21 VAL 117 3HG2 VAL 117 -8.101 -11.114 -6.371 867 HG22 VAL 117 1HG2 VAL 117 -9.008 -9.586 -6.324 868 HG23 VAL 117 2HG2 VAL 117 -8.231 -10.145 -4.867 869 H VAL 118 H VAL 118 -4.466 -8.832 -8.312 870 HA VAL 118 HA VAL 118 -4.245 -6.065 -8.295 871 HB VAL 118 HB VAL 118 -2.649 -8.070 -9.890 872 HG11 VAL 118 1HG1 VAL 118 -1.998 -5.189 -9.167 873 HG12 VAL 118 2HG1 VAL 118 -2.384 -5.794 -10.783 874 HG13 VAL 118 3HG1 VAL 118 -0.903 -6.310 -9.985 875 HG21 VAL 118 3HG2 VAL 118 -2.057 -6.748 -7.256 876 HG22 VAL 118 1HG2 VAL 118 -0.984 -7.842 -8.119 877 HG23 VAL 118 2HG2 VAL 118 -2.524 -8.441 -7.480 878 H ASP 119 H ASP 119 -5.336 -8.186 -10.848 879 HA ASP 119 HA ASP 119 -5.277 -6.233 -12.948 880 HB2 ASP 119 1HB ASP 119 -5.520 -8.685 -13.456 881 HB3 ASP 119 2HB ASP 119 -7.020 -8.678 -12.539 882 H TYR 120 H TYR 120 -7.542 -7.344 -10.635 883 HA TYR 120 HA TYR 120 -9.774 -5.765 -11.422 884 HD1 TYR 120 HD2 TYR 120 -12.205 -5.490 -9.780 885 HD2 TYR 120 HD1 TYR 120 -9.265 -6.551 -6.904 886 HE1 TYR 120 HE2 TYR 120 -13.442 -4.300 -8.055 887 HE2 TYR 120 HE1 TYR 120 -10.466 -5.403 -5.202 888 HH TYR 120 HH TYR 120 -12.077 -3.523 -5.071 889 HB2 TYR 120 1HB TYR 120 -10.500 -7.500 -10.027 890 HB3 TYR 120 2HB TYR 120 -9.067 -7.381 -9.001 891 H VAL 121 H VAL 121 -7.240 -5.266 -9.056 892 HA VAL 121 HA VAL 121 -8.286 -2.773 -8.115 893 HB VAL 121 HB VAL 121 -5.573 -4.113 -7.786 894 HG11 VAL 121 1HG1 VAL 121 -6.765 -1.830 -6.267 895 HG12 VAL 121 2HG1 VAL 121 -5.397 -1.749 -7.379 896 HG13 VAL 121 3HG1 VAL 121 -5.263 -2.658 -5.867 897 HG21 VAL 121 3HG2 VAL 121 -8.021 -4.148 -6.063 898 HG22 VAL 121 1HG2 VAL 121 -6.417 -4.656 -5.497 899 HG23 VAL 121 2HG2 VAL 121 -7.202 -5.493 -6.834 900 H ARG 122 H ARG 122 -6.065 -3.772 -10.569 901 HA ARG 122 HA ARG 122 -5.082 -1.180 -11.090 902 HE ARG 122 HE ARG 122 -3.459 -4.108 -14.884 903 HB2 ARG 122 1HB ARG 122 -4.080 -3.379 -11.817 904 HB3 ARG 122 2HB ARG 122 -5.363 -3.460 -13.028 905 HG2 ARG 122 1HG ARG 122 -4.407 -1.829 -14.323 906 HG3 ARG 122 2HG ARG 122 -3.724 -1.025 -12.904 907 HD2 ARG 122 1HD ARG 122 -1.926 -2.098 -14.238 908 HD3 ARG 122 2HD ARG 122 -2.132 -2.843 -12.651 909 HH11 ARG 122 1HH1 ARG 122 -0.831 -4.119 -12.517 910 HH12 ARG 122 2HH1 ARG 122 -0.323 -5.715 -12.822 911 HH21 ARG 122 1HH2 ARG 122 -2.736 -6.333 -15.341 912 HH22 ARG 122 2HH2 ARG 122 -1.452 -7.005 -14.473 913 H LYS 123 H LYS 123 -7.939 -3.031 -12.213 914 HA LYS 123 HA LYS 123 -8.810 -1.097 -14.022 915 HB2 LYS 123 1HB LYS 123 -10.168 -3.319 -12.536 916 HB3 LYS 123 2HB LYS 123 -10.926 -2.387 -13.830 917 HG2 LYS 123 1HG LYS 123 -9.048 -2.898 -15.203 918 HG3 LYS 123 2HG LYS 123 -8.443 -4.006 -13.985 919 HD2 LYS 123 1HD LYS 123 -11.157 -4.281 -15.243 920 HD3 LYS 123 2HD LYS 123 -9.745 -5.207 -15.776 921 HE2 LYS 123 1HE LYS 123 -9.533 -6.063 -13.430 922 HE3 LYS 123 2HE LYS 123 -11.067 -5.276 -13.052 923 HZ1 LYS 123 3HZ LYS 123 -12.122 -6.717 -14.716 924 HZ2 LYS 123 1HZ LYS 123 -11.350 -7.606 -13.504 925 HZ3 LYS 123 2HZ LYS 123 -10.632 -7.451 -15.019 926 H GLN 124 H GLN 124 -8.833 -1.444 -10.773 927 HA GLN 124 HA GLN 124 -11.044 0.230 -10.164 928 HB2 GLN 124 1HB GLN 124 -8.789 -0.492 -8.318 929 HB3 GLN 124 2HB GLN 124 -10.085 0.596 -7.827 930 HG2 GLN 124 1HG GLN 124 -10.094 -2.355 -8.101 931 HG3 GLN 124 2HG GLN 124 -10.978 -1.229 -7.056 932 HE21 GLN 124 1HE2 GLN 124 -10.813 -2.756 -10.002 933 HE22 GLN 124 2HE2 GLN 124 -12.431 -2.530 -10.510 934 H ALA 125 H ALA 125 -7.603 0.636 -9.977 935 HA ALA 125 HA ALA 125 -7.610 3.416 -9.393 936 HB1 ALA 125 3HB ALA 125 -5.337 1.672 -10.323 937 HB2 ALA 125 1HB ALA 125 -5.901 1.859 -8.656 938 HB3 ALA 125 2HB ALA 125 -5.237 3.250 -9.515 939 H SER 126 H SER 126 -7.106 1.561 -12.355 940 HA SER 126 HA SER 126 -6.538 3.860 -13.908 941 HG SER 126 HG SER 126 -5.256 1.880 -13.780 942 HB2 SER 126 1HB SER 126 -7.575 1.159 -14.803 943 HB3 SER 126 2HB SER 126 -6.894 2.394 -15.865 Start of MODEL 16 1 HA PRO 5 HA PRO 5 8.747 -20.887 -5.579 2 HB2 PRO 5 1HB PRO 5 7.664 -20.942 -8.093 3 HB3 PRO 5 2HB PRO 5 9.370 -21.290 -7.744 4 HG2 PRO 5 1HG PRO 5 7.085 -23.203 -8.126 5 HG3 PRO 5 2HG PRO 5 8.750 -23.292 -8.781 6 HD2 PRO 5 1HD PRO 5 7.897 -24.693 -6.743 7 HD3 PRO 5 2HD PRO 5 9.558 -24.020 -6.737 8 H VAL 6 H VAL 6 7.372 -19.331 -6.677 9 HA VAL 6 HA VAL 6 5.825 -17.820 -6.404 10 HB VAL 6 HB VAL 6 4.494 -19.522 -7.843 11 HG11 VAL 6 1HG1 VAL 6 2.440 -20.437 -6.923 12 HG12 VAL 6 2HG1 VAL 6 2.947 -19.935 -5.311 13 HG13 VAL 6 3HG1 VAL 6 3.877 -21.149 -6.189 14 HG21 VAL 6 3HG2 VAL 6 3.944 -17.142 -7.524 15 HG22 VAL 6 1HG2 VAL 6 2.816 -17.631 -6.258 16 HG23 VAL 6 2HG2 VAL 6 2.553 -18.170 -7.928 17 H CYS 7 H CYS 7 3.892 -17.041 -4.991 18 HA CYS 7 HA CYS 7 4.782 -17.467 -2.288 19 HB2 CYS 7 1HB CYS 7 4.655 -15.153 -2.956 20 HB3 CYS 7 2HB CYS 7 3.032 -15.389 -3.607 21 H ARG 8 H ARG 8 3.718 -18.424 -0.922 22 HA ARG 8 HA ARG 8 1.219 -19.857 -1.591 23 HE ARG 8 HE ARG 8 4.395 -22.144 -3.573 24 HB2 ARG 8 1HB ARG 8 3.306 -20.352 0.520 25 HB3 ARG 8 2HB ARG 8 1.953 -21.412 0.093 26 HG2 ARG 8 1HG ARG 8 4.157 -20.626 -1.779 27 HG3 ARG 8 2HG ARG 8 4.149 -22.139 -0.854 28 HD2 ARG 8 1HD ARG 8 2.140 -22.830 -1.968 29 HD3 ARG 8 2HD ARG 8 1.991 -21.263 -2.758 30 HH11 ARG 8 1HH1 ARG 8 1.149 -23.558 -3.627 31 HH12 ARG 8 2HH1 ARG 8 1.375 -24.392 -5.082 32 HH21 ARG 8 1HH2 ARG 8 4.684 -23.216 -5.587 33 HH22 ARG 8 2HH2 ARG 8 3.447 -24.197 -6.243 34 H HIS 9 H HIS 9 1.580 -17.099 -0.606 35 HA HIS 9 HA HIS 9 0.081 -17.193 1.987 36 HD2 HIS 9 HD2 HIS 9 2.106 -17.638 4.092 37 HE1 HIS 9 HE1 HIS 9 6.012 -16.803 2.669 38 HE2 HIS 9 HE2 HIS 9 4.650 -18.088 4.405 39 HB2 HIS 9 1HB HIS 9 2.037 -15.055 1.100 40 HB3 HIS 9 2HB HIS 9 1.167 -15.139 2.632 41 H ILE 10 H ILE 10 -0.819 -17.117 -0.858 42 HA ILE 10 HA ILE 10 -1.129 -14.488 -1.478 43 HB ILE 10 HB ILE 10 -2.690 -16.814 -2.643 44 HG12 ILE 10 1HG1 ILE 10 -0.287 -17.058 -2.947 45 HG13 ILE 10 2HG1 ILE 10 -1.044 -16.643 -4.492 46 HG21 ILE 10 1HG2 ILE 10 -2.385 -14.004 -3.697 47 HG22 ILE 10 2HG2 ILE 10 -3.878 -14.764 -3.145 48 HG23 ILE 10 3HG2 ILE 10 -3.073 -15.347 -4.603 49 HD11 ILE 10 3HD1 ILE 10 -0.302 -14.307 -4.131 50 HD12 ILE 10 1HD1 ILE 10 1.026 -15.482 -4.226 51 HD13 ILE 10 2HD1 ILE 10 0.508 -14.868 -2.661 52 H ARG 11 H ARG 11 -3.259 -17.005 -0.427 53 HA ARG 11 HA ARG 11 -5.667 -15.526 -0.102 54 HE ARG 11 HE ARG 11 -7.966 -18.759 0.564 55 HB2 ARG 11 1HB ARG 11 -4.753 -18.037 1.203 56 HB3 ARG 11 2HB ARG 11 -6.411 -17.456 1.260 57 HG2 ARG 11 1HG ARG 11 -6.556 -17.669 -1.193 58 HG3 ARG 11 2HG ARG 11 -4.894 -18.280 -1.222 59 HD2 ARG 11 1HD ARG 11 -6.567 -20.086 -1.340 60 HD3 ARG 11 2HD ARG 11 -5.548 -20.204 0.090 61 HH11 ARG 11 1HH1 ARG 11 -6.641 -22.031 0.337 62 HH12 ARG 11 2HH1 ARG 11 -7.769 -22.698 1.418 63 HH21 ARG 11 1HH2 ARG 11 -9.492 -19.684 2.044 64 HH22 ARG 11 2HH2 ARG 11 -9.411 -21.344 2.420 65 H LYS 12 H LYS 12 -2.922 -15.990 1.820 66 HA LYS 12 HA LYS 12 -4.079 -15.228 4.343 67 HB2 LYS 12 1HB LYS 12 -1.186 -15.460 3.521 68 HB3 LYS 12 2HB LYS 12 -1.767 -15.289 5.170 69 HG2 LYS 12 1HG LYS 12 -2.874 -17.439 5.032 70 HG3 LYS 12 2HG LYS 12 -2.375 -17.597 3.336 71 HD2 LYS 12 1HD LYS 12 -0.025 -17.553 4.047 72 HD3 LYS 12 2HD LYS 12 -0.540 -17.420 5.726 73 HE2 LYS 12 1HE LYS 12 -1.232 -19.685 3.880 74 HE3 LYS 12 2HE LYS 12 0.076 -19.738 5.071 75 HZ1 LYS 12 3HZ LYS 12 -1.659 -19.366 6.796 76 HZ2 LYS 12 1HZ LYS 12 -1.892 -20.808 5.958 77 HZ3 LYS 12 2HZ LYS 12 -2.837 -19.465 5.621 78 H GLY 13 H GLY 13 -2.377 -13.778 1.739 79 HA2 GLY 13 1HA GLY 13 -1.919 -11.201 3.130 80 HA3 GLY 13 2HA GLY 13 -1.134 -11.836 1.704 81 H LEU 14 H LEU 14 -4.091 -12.597 0.975 82 HA LEU 14 HA LEU 14 -4.801 -9.936 -0.013 83 HG LEU 14 HG LEU 14 -4.739 -9.640 -2.464 84 HB2 LEU 14 1HB LEU 14 -3.538 -11.615 -1.552 85 HB3 LEU 14 2HB LEU 14 -5.069 -12.476 -1.584 86 HD11 LEU 14 1HD1 LEU 14 -3.291 -11.164 -3.717 87 HD12 LEU 14 2HD1 LEU 14 -4.602 -10.552 -4.727 88 HD13 LEU 14 3HD1 LEU 14 -4.679 -12.193 -4.064 89 HD21 LEU 14 3HD2 LEU 14 -6.788 -9.733 -3.290 90 HD22 LEU 14 1HD2 LEU 14 -7.053 -10.837 -1.949 91 HD23 LEU 14 2HD2 LEU 14 -6.744 -11.439 -3.629 92 H GLU 15 H GLU 15 -6.864 -9.524 0.597 93 HA GLU 15 HA GLU 15 -8.457 -11.848 1.223 94 HB2 GLU 15 1HB GLU 15 -7.666 -10.360 3.161 95 HB3 GLU 15 2HB GLU 15 -8.886 -9.216 2.617 96 HG2 GLU 15 1HG GLU 15 -9.246 -11.976 3.701 97 HG3 GLU 15 2HG GLU 15 -9.665 -10.425 4.418 98 H GLN 16 H GLN 16 -9.672 -11.760 -0.794 99 HA GLN 16 HA GLN 16 -10.032 -9.542 -2.290 100 HB2 GLN 16 1HB GLN 16 -11.746 -12.007 -2.389 101 HB3 GLN 16 2HB GLN 16 -11.683 -10.717 -3.597 102 HG2 GLN 16 1HG GLN 16 -9.337 -11.149 -3.972 103 HG3 GLN 16 2HG GLN 16 -9.380 -12.468 -2.791 104 HE21 GLN 16 1HE2 GLN 16 -10.366 -11.403 -5.953 105 HE22 GLN 16 2HE2 GLN 16 -10.779 -12.974 -6.549 106 H GLY 17 H GLY 17 -12.217 -10.876 0.163 107 HA2 GLY 17 1HA GLY 17 -14.582 -9.562 -0.490 108 HA3 GLY 17 2HA GLY 17 -14.143 -10.174 1.108 109 H ASN 18 H ASN 18 -12.124 -8.583 1.947 110 HA ASN 18 HA ASN 18 -13.586 -6.138 2.308 111 HB2 ASN 18 1HB ASN 18 -12.137 -5.586 4.155 112 HB3 ASN 18 2HB ASN 18 -12.148 -7.347 4.112 113 HD21 ASN 18 1HD2 ASN 18 -10.317 -7.850 2.155 114 HD22 ASN 18 2HD2 ASN 18 -8.817 -7.284 2.798 115 H LEU 19 H LEU 19 -11.192 -7.154 0.165 116 HA LEU 19 HA LEU 19 -9.889 -4.759 -0.528 117 HG LEU 19 HG LEU 19 -8.342 -7.672 -2.235 118 HB2 LEU 19 1HB LEU 19 -10.518 -7.294 -1.944 119 HB3 LEU 19 2HB LEU 19 -10.074 -5.896 -2.916 120 HD11 LEU 19 1HD1 LEU 19 -6.585 -5.935 -2.142 121 HD12 LEU 19 2HD1 LEU 19 -7.870 -4.704 -2.053 122 HD13 LEU 19 3HD1 LEU 19 -7.731 -5.768 -3.480 123 HD21 LEU 19 3HD2 LEU 19 -8.284 -5.862 0.143 124 HD22 LEU 19 1HD2 LEU 19 -7.077 -7.088 -0.253 125 HD23 LEU 19 2HD2 LEU 19 -8.737 -7.571 0.128 126 H LYS 20 H LYS 20 -12.921 -6.222 -1.852 127 HA LYS 20 HA LYS 20 -13.484 -4.169 -3.712 128 HB2 LYS 20 1HB LYS 20 -15.536 -5.726 -2.144 129 HB3 LYS 20 2HB LYS 20 -15.621 -5.197 -3.811 130 HG2 LYS 20 1HG LYS 20 -13.846 -7.451 -2.828 131 HG3 LYS 20 2HG LYS 20 -15.450 -7.660 -3.548 132 HD2 LYS 20 1HD LYS 20 -13.135 -6.344 -4.887 133 HD3 LYS 20 2HD LYS 20 -13.477 -8.080 -5.000 134 HE2 LYS 20 1HE LYS 20 -15.373 -5.873 -5.828 135 HE3 LYS 20 2HE LYS 20 -14.302 -6.797 -6.897 136 HZ1 LYS 20 3HZ LYS 20 -16.441 -8.002 -5.229 137 HZ2 LYS 20 1HZ LYS 20 -15.498 -8.796 -6.365 138 HZ3 LYS 20 2HZ LYS 20 -16.617 -7.633 -6.861 139 H LYS 21 H LYS 21 -14.129 -4.419 -0.268 140 HA LYS 21 HA LYS 21 -16.016 -2.258 -0.344 141 HB2 LYS 21 1HB LYS 21 -14.629 -3.641 1.942 142 HB3 LYS 21 2HB LYS 21 -15.977 -2.520 2.095 143 HG2 LYS 21 1HG LYS 21 -17.494 -4.017 1.151 144 HG3 LYS 21 2HG LYS 21 -16.205 -5.007 0.444 145 HD2 LYS 21 1HD LYS 21 -17.185 -6.139 2.353 146 HD3 LYS 21 2HD LYS 21 -15.507 -5.656 2.636 147 HE2 LYS 21 1HE LYS 21 -16.238 -3.765 3.983 148 HE3 LYS 21 2HE LYS 21 -17.923 -4.126 3.625 149 HZ1 LYS 21 3HZ LYS 21 -16.088 -5.907 5.154 150 HZ2 LYS 21 1HZ LYS 21 -17.718 -6.188 4.840 151 HZ3 LYS 21 2HZ LYS 21 -17.252 -4.910 5.831 152 H ALA 22 H ALA 22 -12.580 -2.626 0.272 153 HA ALA 22 HA ALA 22 -12.313 -0.038 1.450 154 HB1 ALA 22 3HB ALA 22 -10.228 -1.881 0.332 155 HB2 ALA 22 1HB ALA 22 -10.816 -1.896 1.991 156 HB3 ALA 22 2HB ALA 22 -9.949 -0.489 1.376 157 H LEU 23 H LEU 23 -11.880 -1.438 -1.746 158 HA LEU 23 HA LEU 23 -10.569 0.879 -2.765 159 HG LEU 23 HG LEU 23 -10.536 -2.531 -3.066 160 HB2 LEU 23 1HB LEU 23 -11.889 -1.222 -4.415 161 HB3 LEU 23 2HB LEU 23 -10.554 -0.167 -4.873 162 HD11 LEU 23 1HD1 LEU 23 -8.996 -1.970 -5.549 163 HD12 LEU 23 2HD1 LEU 23 -10.341 -3.094 -5.326 164 HD13 LEU 23 3HD1 LEU 23 -8.808 -3.368 -4.490 165 HD21 LEU 23 3HD2 LEU 23 -8.225 -2.188 -2.496 166 HD22 LEU 23 1HD2 LEU 23 -9.197 -0.841 -1.941 167 HD23 LEU 23 2HD2 LEU 23 -8.176 -0.656 -3.385 168 H VAL 24 H VAL 24 -13.707 0.138 -2.126 169 HA VAL 24 HA VAL 24 -15.081 1.714 -4.037 170 HB VAL 24 HB VAL 24 -15.837 1.192 -1.139 171 HG11 VAL 24 1HG1 VAL 24 -18.098 1.915 -1.746 172 HG12 VAL 24 2HG1 VAL 24 -17.524 2.307 -3.374 173 HG13 VAL 24 3HG1 VAL 24 -16.905 3.202 -1.984 174 HG21 VAL 24 3HG2 VAL 24 -17.411 -0.429 -2.088 175 HG22 VAL 24 1HG2 VAL 24 -15.738 -0.815 -2.486 176 HG23 VAL 24 2HG2 VAL 24 -16.785 -0.080 -3.702 177 H ASN 25 H ASN 25 -13.901 2.572 -0.792 178 HA ASN 25 HA ASN 25 -14.431 5.406 -1.417 179 HB2 ASN 25 1HB ASN 25 -13.980 4.048 1.242 180 HB3 ASN 25 2HB ASN 25 -14.216 5.790 1.026 181 HD21 ASN 25 1HD2 ASN 25 -15.693 2.687 1.153 182 HD22 ASN 25 2HD2 ASN 25 -17.330 3.249 1.064 183 H VAL 26 H VAL 26 -12.025 3.517 -1.963 184 HA VAL 26 HA VAL 26 -9.916 4.504 -0.414 185 HB VAL 26 HB VAL 26 -10.418 2.402 -1.780 186 HG11 VAL 26 1HG1 VAL 26 -10.478 3.147 -3.914 187 HG12 VAL 26 2HG1 VAL 26 -9.109 2.069 -3.723 188 HG13 VAL 26 3HG1 VAL 26 -8.843 3.820 -3.823 189 HG21 VAL 26 3HG2 VAL 26 -8.820 2.471 -0.238 190 HG22 VAL 26 1HG2 VAL 26 -7.704 3.441 -1.216 191 HG23 VAL 26 2HG2 VAL 26 -8.093 1.756 -1.688 192 H GLU 27 H GLU 27 -8.159 5.594 -1.129 193 HA GLU 27 HA GLU 27 -8.489 7.410 -3.397 194 HB2 GLU 27 1HB GLU 27 -6.543 8.598 -2.300 195 HB3 GLU 27 2HB GLU 27 -8.136 8.880 -1.629 196 HG2 GLU 27 1HG GLU 27 -6.189 6.867 -0.581 197 HG3 GLU 27 2HG GLU 27 -6.223 8.576 -0.125 198 H TRP 28 H TRP 28 -7.419 6.926 -4.998 199 HA TRP 28 HA TRP 28 -5.389 4.930 -4.817 200 HD1 TRP 28 HD1 TRP 28 -8.898 4.754 -7.156 201 HE1 TRP 28 HE1 TRP 28 -9.531 2.323 -6.611 202 HE3 TRP 28 HE3 TRP 28 -4.371 3.154 -5.619 203 HZ2 TRP 28 HZ2 TRP 28 -8.200 0.028 -5.724 204 HZ3 TRP 28 HZ3 TRP 28 -4.111 0.828 -4.915 205 HH2 TRP 28 HH2 TRP 28 -5.988 -0.698 -4.951 206 HB2 TRP 28 1HB TRP 28 -6.849 6.174 -6.989 207 HB3 TRP 28 2HB TRP 28 -5.428 5.220 -7.406 208 H ASN 29 H ASN 29 -3.462 5.017 -4.859 209 HA ASN 29 HA ASN 29 -1.325 5.618 -5.032 210 HB2 ASN 29 1HB ASN 29 -2.198 6.225 -7.280 211 HB3 ASN 29 2HB ASN 29 -2.111 7.920 -6.833 212 HD21 ASN 29 1HD2 ASN 29 -0.411 5.168 -7.741 213 HD22 ASN 29 2HD2 ASN 29 1.165 5.886 -7.682 214 H ILE 30 H ILE 30 -3.274 6.721 -3.203 215 HA ILE 30 HA ILE 30 -1.640 8.899 -2.164 216 HB ILE 30 HB ILE 30 -4.616 8.428 -1.833 217 HG12 ILE 30 1HG1 ILE 30 -3.114 10.688 -3.146 218 HG13 ILE 30 2HG1 ILE 30 -4.032 9.437 -4.002 219 HG21 ILE 30 1HG2 ILE 30 -4.642 10.492 -0.494 220 HG22 ILE 30 2HG2 ILE 30 -2.877 10.569 -0.583 221 HG23 ILE 30 3HG2 ILE 30 -3.666 9.227 0.248 222 HD11 ILE 30 3HD1 ILE 30 -5.184 11.592 -3.898 223 HD12 ILE 30 1HD1 ILE 30 -5.134 11.530 -2.141 224 HD13 ILE 30 2HD1 ILE 30 -6.092 10.348 -3.045 225 H CYS 31 H CYS 31 -0.427 7.790 -0.793 226 HA CYS 31 HA CYS 31 -1.225 5.604 0.758 227 HB2 CYS 31 1HB CYS 31 1.084 5.880 0.806 228 HB3 CYS 31 2HB CYS 31 1.069 7.579 1.219 229 H GLN 32 H GLN 32 -2.949 5.611 1.769 230 HA GLN 32 HA GLN 32 -4.226 7.753 2.931 231 HB2 GLN 32 1HB GLN 32 -5.632 6.056 4.104 232 HB3 GLN 32 2HB GLN 32 -5.516 5.848 2.357 233 HG2 GLN 32 1HG GLN 32 -3.897 4.112 2.674 234 HG3 GLN 32 2HG GLN 32 -4.054 4.293 4.432 235 HE21 GLN 32 1HE2 GLN 32 -5.739 3.475 1.474 236 HE22 GLN 32 2HE2 GLN 32 -6.982 2.597 2.275 237 H ASP 33 H ASP 33 -1.757 5.770 4.313 238 HA ASP 33 HA ASP 33 -2.348 6.719 6.969 239 HB2 ASP 33 1HB ASP 33 -0.953 4.580 6.441 240 HB3 ASP 33 2HB ASP 33 0.414 5.702 6.292 241 H CYS 34 H CYS 34 -0.898 8.248 4.225 242 HA CYS 34 HA CYS 34 0.614 10.041 5.714 243 HB2 CYS 34 1HB CYS 34 0.010 9.418 2.944 244 HB3 CYS 34 2HB CYS 34 0.326 11.107 3.282 245 H LYS 35 H LYS 35 -2.570 9.720 4.408 246 HA LYS 35 HA LYS 35 -3.120 12.546 4.251 247 HB2 LYS 35 1HB LYS 35 -5.409 11.994 3.891 248 HB3 LYS 35 2HB LYS 35 -4.374 11.031 2.812 249 HG2 LYS 35 1HG LYS 35 -4.661 9.138 4.343 250 HG3 LYS 35 2HG LYS 35 -5.686 10.152 5.359 251 HD2 LYS 35 1HD LYS 35 -6.221 9.448 2.521 252 HD3 LYS 35 2HD LYS 35 -6.913 8.597 3.923 253 HE2 LYS 35 1HE LYS 35 -7.842 10.816 4.647 254 HE3 LYS 35 2HE LYS 35 -7.331 11.466 3.088 255 HZ1 LYS 35 3HZ LYS 35 -8.749 9.606 2.098 256 HZ2 LYS 35 1HZ LYS 35 -9.603 10.868 2.877 257 HZ3 LYS 35 2HZ LYS 35 -9.351 9.407 3.649 258 H THR 36 H THR 36 -3.577 10.055 6.600 259 HA THR 36 HA THR 36 -4.941 11.917 8.279 260 HB THR 36 HB THR 36 -5.032 9.782 9.777 261 HG1 THR 36 HG1 THR 36 -4.114 8.112 8.895 262 HG21 THR 36 3HG2 THR 36 -7.051 9.031 8.600 263 HG22 THR 36 1HG2 THR 36 -6.565 9.950 7.175 264 HG23 THR 36 2HG2 THR 36 -6.974 10.791 8.667 265 H ASP 37 H ASP 37 -2.008 11.695 7.480 266 HA ASP 37 HA ASP 37 -0.690 11.101 10.000 267 HB2 ASP 37 1HB ASP 37 0.388 11.121 7.489 268 HB3 ASP 37 2HB ASP 37 0.770 12.732 8.047 269 H ASN 38 H ASN 38 -1.905 12.474 11.217 270 HA ASN 38 HA ASN 38 -1.204 15.346 11.046 271 HB2 ASN 38 1HB ASN 38 -3.572 14.417 11.212 272 HB3 ASN 38 2HB ASN 38 -3.195 14.080 12.903 273 HD21 ASN 38 1HD2 ASN 38 -3.716 16.576 10.564 274 HD22 ASN 38 2HD2 ASN 38 -3.867 17.893 11.696 275 H LYS 39 H LYS 39 0.072 12.891 11.983 276 HA LYS 39 HA LYS 39 0.654 12.945 14.790 277 HB2 LYS 39 1HB LYS 39 2.401 11.865 12.588 278 HB3 LYS 39 2HB LYS 39 2.295 11.286 14.251 279 HG2 LYS 39 1HG LYS 39 0.283 10.217 13.878 280 HG3 LYS 39 2HG LYS 39 -0.026 11.103 12.379 281 HD2 LYS 39 1HD LYS 39 2.076 10.045 11.479 282 HD3 LYS 39 2HD LYS 39 2.041 8.989 12.891 283 HE2 LYS 39 1HE LYS 39 0.068 7.983 12.215 284 HE3 LYS 39 2HE LYS 39 -0.313 9.284 11.079 285 HZ1 LYS 39 3HZ LYS 39 2.005 7.468 10.801 286 HZ2 LYS 39 1HZ LYS 39 1.542 8.681 9.756 287 HZ3 LYS 39 2HZ LYS 39 0.596 7.278 9.874 288 H VAL 40 H VAL 40 2.204 14.070 11.832 289 HA VAL 40 HA VAL 40 4.496 15.262 12.948 290 HB VAL 40 HB VAL 40 3.046 16.059 10.385 291 HG11 VAL 40 1HG1 VAL 40 5.947 16.352 11.135 292 HG12 VAL 40 2HG1 VAL 40 4.763 17.657 11.045 293 HG13 VAL 40 3HG1 VAL 40 5.232 16.790 9.581 294 HG21 VAL 40 3HG2 VAL 40 4.527 14.496 9.222 295 HG22 VAL 40 1HG2 VAL 40 3.477 13.674 10.375 296 HG23 VAL 40 2HG2 VAL 40 5.170 13.962 10.776 297 H LYS 41 H LYS 41 4.905 17.519 13.326 298 HA LYS 41 HA LYS 41 3.135 18.874 14.938 299 HB2 LYS 41 1HB LYS 41 5.308 20.139 13.256 300 HB3 LYS 41 2HB LYS 41 4.537 20.871 14.668 301 HG2 LYS 41 1HG LYS 41 5.430 19.063 16.059 302 HG3 LYS 41 2HG LYS 41 6.210 18.374 14.635 303 HD2 LYS 41 1HD LYS 41 7.503 20.446 14.370 304 HD3 LYS 41 2HD LYS 41 6.757 21.081 15.838 305 HE2 LYS 41 1HE LYS 41 8.472 18.597 15.657 306 HE3 LYS 41 2HE LYS 41 8.998 20.160 16.264 307 HZ1 LYS 41 3HZ LYS 41 7.270 19.925 18.037 308 HZ2 LYS 41 1HZ LYS 41 8.452 18.726 18.094 309 HZ3 LYS 41 2HZ LYS 41 6.938 18.381 17.479 310 H ASP 42 H ASP 42 3.628 19.459 11.450 311 HA ASP 42 HA ASP 42 0.859 20.390 11.399 312 HB2 ASP 42 1HB ASP 42 2.797 22.266 11.131 313 HB3 ASP 42 2HB ASP 42 2.769 21.629 9.497 314 H LYS 43 H LYS 43 0.450 20.597 8.995 315 HA LYS 43 HA LYS 43 1.725 18.452 7.553 316 HB2 LYS 43 1HB LYS 43 -0.949 18.357 8.427 317 HB3 LYS 43 2HB LYS 43 -0.940 18.402 6.650 318 HG2 LYS 43 1HG LYS 43 0.405 16.537 8.525 319 HG3 LYS 43 2HG LYS 43 -0.920 16.165 7.405 320 HD2 LYS 43 1HD LYS 43 0.721 16.938 5.590 321 HD3 LYS 43 2HD LYS 43 1.970 16.740 6.824 322 HE2 LYS 43 1HE LYS 43 1.917 14.691 5.708 323 HE3 LYS 43 2HE LYS 43 1.008 14.508 7.228 324 HZ1 LYS 43 3HZ LYS 43 -0.158 14.908 4.543 325 HZ2 LYS 43 1HZ LYS 43 -1.045 14.886 5.979 326 HZ3 LYS 43 2HZ LYS 43 -0.251 13.506 5.473 327 H ALA 44 H ALA 44 1.222 21.558 7.590 328 HA ALA 44 HA ALA 44 0.577 22.229 4.960 329 HB1 ALA 44 3HB ALA 44 2.006 24.216 5.346 330 HB2 ALA 44 1HB ALA 44 2.619 23.473 6.822 331 HB3 ALA 44 2HB ALA 44 0.918 23.920 6.704 332 H GLU 45 H GLU 45 3.774 21.974 6.373 333 HA GLU 45 HA GLU 45 5.808 21.413 5.549 334 HB2 GLU 45 1HB GLU 45 4.209 19.001 4.713 335 HB3 GLU 45 2HB GLU 45 5.967 19.061 4.896 336 HG2 GLU 45 1HG GLU 45 3.922 19.446 7.071 337 HG3 GLU 45 2HG GLU 45 4.939 18.025 6.828 338 H GLU 46 H GLU 46 5.567 23.230 3.823 339 HA GLU 46 HA GLU 46 5.247 22.275 1.210 340 HB2 GLU 46 1HB GLU 46 5.631 24.786 2.617 341 HB3 GLU 46 2HB GLU 46 6.340 24.727 1.008 342 HG2 GLU 46 1HG GLU 46 4.092 25.699 0.986 343 HG3 GLU 46 2HG GLU 46 4.107 24.171 0.109 344 H GLU 47 H GLU 47 6.810 20.642 1.545 345 HA GLU 47 HA GLU 47 9.427 21.541 0.699 346 HB2 GLU 47 1HB GLU 47 10.297 19.382 1.936 347 HB3 GLU 47 2HB GLU 47 10.083 20.902 2.811 348 HG2 GLU 47 1HG GLU 47 8.087 20.159 3.781 349 HG3 GLU 47 2HG GLU 47 8.002 18.770 2.689 350 H THR 48 H THR 48 7.557 18.471 1.017 351 HA THR 48 HA THR 48 7.259 16.748 -0.360 352 HB THR 48 HB THR 48 7.272 18.880 -2.521 353 HG1 THR 48 HG1 THR 48 4.975 18.182 -1.032 354 HG21 THR 48 3HG2 THR 48 6.924 16.538 -3.282 355 HG22 THR 48 1HG2 THR 48 5.458 17.503 -3.478 356 HG23 THR 48 2HG2 THR 48 5.600 16.377 -2.127 357 H GLU 49 H GLU 49 9.851 16.861 0.315 358 HA GLU 49 HA GLU 49 11.425 16.877 -2.126 359 HB2 GLU 49 1HB GLU 49 13.408 16.754 -0.656 360 HB3 GLU 49 2HB GLU 49 12.368 18.154 -0.362 361 HG2 GLU 49 1HG GLU 49 11.441 17.070 1.576 362 HG3 GLU 49 2HG GLU 49 12.438 15.643 1.265 363 H GLU 50 H GLU 50 9.576 14.845 -1.043 364 HA GLU 50 HA GLU 50 11.292 12.589 -1.706 365 HB2 GLU 50 1HB GLU 50 10.045 11.166 -0.144 366 HB3 GLU 50 2HB GLU 50 10.792 12.506 0.703 367 HG2 GLU 50 1HG GLU 50 8.531 13.664 0.533 368 HG3 GLU 50 2HG GLU 50 7.894 12.094 0.052 369 H LYS 51 H LYS 51 10.622 11.682 -3.525 370 HA LYS 51 HA LYS 51 7.814 11.787 -4.251 371 HB2 LYS 51 1HB LYS 51 10.200 10.954 -5.929 372 HB3 LYS 51 2HB LYS 51 8.534 11.143 -6.516 373 HG2 LYS 51 1HG LYS 51 10.552 13.171 -5.679 374 HG3 LYS 51 2HG LYS 51 9.708 13.016 -7.226 375 HD2 LYS 51 1HD LYS 51 7.594 13.555 -6.049 376 HD3 LYS 51 2HD LYS 51 8.601 13.716 -4.587 377 HE2 LYS 51 1HE LYS 51 8.179 15.926 -5.512 378 HE3 LYS 51 2HE LYS 51 9.877 15.431 -5.631 379 HZ1 LYS 51 3HZ LYS 51 9.636 14.993 -7.938 380 HZ2 LYS 51 1HZ LYS 51 9.019 16.527 -7.641 381 HZ3 LYS 51 2HZ LYS 51 7.960 15.246 -7.887 382 HA PRO 52 HA PRO 52 8.449 7.726 -2.422 383 HB2 PRO 52 1HB PRO 52 6.218 7.584 -1.052 384 HB3 PRO 52 2HB PRO 52 7.442 8.797 -0.649 385 HG2 PRO 52 1HG PRO 52 5.015 9.203 -2.365 386 HG3 PRO 52 2HG PRO 52 5.486 10.090 -0.894 387 HD2 PRO 52 1HD PRO 52 6.226 11.022 -3.360 388 HD3 PRO 52 2HD PRO 52 7.254 11.129 -1.918 389 H SER 53 H SER 53 7.428 5.692 -2.656 390 HA SER 53 HA SER 53 5.837 5.338 -5.029 391 HG SER 53 HG SER 53 8.487 3.057 -3.126 392 HB2 SER 53 1HB SER 53 6.397 2.914 -4.309 393 HB3 SER 53 2HB SER 53 7.722 3.913 -4.934 394 H VAL 54 H VAL 54 4.015 3.893 -4.803 395 HA VAL 54 HA VAL 54 2.867 4.073 -2.120 396 HB VAL 54 HB VAL 54 1.160 4.573 -4.608 397 HG11 VAL 54 1HG1 VAL 54 0.435 4.758 -1.706 398 HG12 VAL 54 2HG1 VAL 54 0.052 3.397 -2.758 399 HG13 VAL 54 3HG1 VAL 54 -0.622 4.998 -3.111 400 HG21 VAL 54 3HG2 VAL 54 0.941 6.822 -3.794 401 HG22 VAL 54 1HG2 VAL 54 2.650 6.458 -4.043 402 HG23 VAL 54 2HG2 VAL 54 1.971 6.468 -2.408 403 H TRP 55 H TRP 55 2.699 2.249 -1.431 404 HA TRP 55 HA TRP 55 2.065 0.002 -3.191 405 HD1 TRP 55 HD1 TRP 55 5.283 1.645 -1.492 406 HE1 TRP 55 HE1 TRP 55 7.401 1.059 -2.861 407 HE3 TRP 55 HE3 TRP 55 3.966 -3.001 -3.152 408 HZ2 TRP 55 HZ2 TRP 55 8.373 -1.053 -4.407 409 HZ3 TRP 55 HZ3 TRP 55 5.552 -4.246 -4.563 410 HH2 TRP 55 HH2 TRP 55 7.708 -3.290 -5.182 411 HB2 TRP 55 1HB TRP 55 3.364 -0.032 -0.449 412 HB3 TRP 55 2HB TRP 55 2.996 -1.457 -1.431 413 H LEU 56 H LEU 56 0.367 -1.024 -2.985 414 HA LEU 56 HA LEU 56 -1.593 -0.242 -0.943 415 HG LEU 56 HG LEU 56 -3.621 -1.954 -1.399 416 HB2 LEU 56 1HB LEU 56 -2.435 0.038 -3.143 417 HB3 LEU 56 2HB LEU 56 -2.040 -1.622 -3.584 418 HD11 LEU 56 1HD1 LEU 56 -5.633 -0.621 -1.764 419 HD12 LEU 56 2HD1 LEU 56 -4.702 0.400 -2.858 420 HD13 LEU 56 3HD1 LEU 56 -4.241 0.267 -1.161 421 HD21 LEU 56 3HD2 LEU 56 -3.737 -3.249 -3.350 422 HD22 LEU 56 1HD2 LEU 56 -4.418 -1.903 -4.278 423 HD23 LEU 56 2HD2 LEU 56 -5.350 -2.647 -2.953 424 H CYS 57 H CYS 57 -1.995 -1.616 0.630 425 HA CYS 57 HA CYS 57 -1.035 -4.286 0.917 426 HB2 CYS 57 1HB CYS 57 -1.802 -2.635 2.692 427 HB3 CYS 57 2HB CYS 57 -3.438 -3.023 2.197 428 H LEU 58 H LEU 58 -1.655 -5.962 -0.458 429 HA LEU 58 HA LEU 58 -4.097 -6.028 -1.902 430 HG LEU 58 HG LEU 58 -1.857 -5.875 -3.123 431 HB2 LEU 58 1HB LEU 58 -1.794 -7.817 -1.290 432 HB3 LEU 58 2HB LEU 58 -3.161 -8.399 -2.220 433 HD11 LEU 58 1HD1 LEU 58 -0.290 -7.131 -4.404 434 HD12 LEU 58 2HD1 LEU 58 -0.816 -8.655 -3.642 435 HD13 LEU 58 3HD1 LEU 58 -0.005 -7.396 -2.686 436 HD21 LEU 58 3HD2 LEU 58 -3.868 -6.696 -4.189 437 HD22 LEU 58 1HD2 LEU 58 -3.090 -8.266 -4.426 438 HD23 LEU 58 2HD2 LEU 58 -2.470 -6.851 -5.273 439 H LYS 59 H LYS 59 -3.340 -6.526 1.075 440 HA LYS 59 HA LYS 59 -5.187 -8.649 1.684 441 HB2 LYS 59 1HB LYS 59 -3.185 -8.683 2.903 442 HB3 LYS 59 2HB LYS 59 -3.356 -7.019 3.449 443 HG2 LYS 59 1HG LYS 59 -3.928 -8.359 5.278 444 HG3 LYS 59 2HG LYS 59 -5.403 -7.729 4.497 445 HD2 LYS 59 1HD LYS 59 -5.917 -9.788 3.526 446 HD3 LYS 59 2HD LYS 59 -4.324 -10.473 3.844 447 HE2 LYS 59 1HE LYS 59 -4.805 -10.333 6.247 448 HE3 LYS 59 2HE LYS 59 -6.466 -9.826 5.863 449 HZ1 LYS 59 3HZ LYS 59 -5.235 -12.382 5.002 450 HZ2 LYS 59 1HZ LYS 59 -6.861 -11.954 4.824 451 HZ3 LYS 59 2HZ LYS 59 -6.205 -12.235 6.354 452 H CYS 60 H CYS 60 -4.998 -5.193 2.284 453 HA CYS 60 HA CYS 60 -7.895 -5.303 2.971 454 HB2 CYS 60 1HB CYS 60 -7.671 -3.881 4.859 455 HB3 CYS 60 2HB CYS 60 -6.481 -5.192 4.982 456 H GLY 61 H GLY 61 -5.662 -3.691 1.049 457 HA2 GLY 61 1HA GLY 61 -6.202 -2.091 -0.506 458 HA3 GLY 61 2HA GLY 61 -7.749 -1.829 0.310 459 H HIS 62 H HIS 62 -5.052 -1.759 2.283 460 HA HIS 62 HA HIS 62 -5.128 1.144 2.733 461 HD1 HIS 62 HD1 HIS 62 -1.245 0.555 3.981 462 HD2 HIS 62 HD2 HIS 62 -4.560 1.893 6.082 463 HE1 HIS 62 HE1 HIS 62 -0.380 2.310 5.548 464 HB2 HIS 62 1HB HIS 62 -4.867 -0.372 4.640 465 HB3 HIS 62 2HB HIS 62 -3.402 -1.037 3.916 466 H GLN 63 H GLN 63 -4.040 2.499 1.535 467 HA GLN 63 HA GLN 63 -1.650 1.581 0.237 468 HB2 GLN 63 1HB GLN 63 -2.949 4.275 0.029 469 HB3 GLN 63 2HB GLN 63 -1.436 3.854 -0.757 470 HG2 GLN 63 1HG GLN 63 -2.767 3.460 -2.416 471 HG3 GLN 63 2HG GLN 63 -2.906 1.880 -1.649 472 HE21 GLN 63 1HE2 GLN 63 -4.846 3.163 -3.335 473 HE22 GLN 63 2HE2 GLN 63 -6.284 3.359 -2.376 474 H GLY 64 H GLY 64 0.121 1.951 0.752 475 HA2 GLY 64 1HA GLY 64 0.852 4.048 2.642 476 HA3 GLY 64 2HA GLY 64 1.458 2.397 2.883 477 H CYS 65 H CYS 65 2.828 4.828 2.514 478 HA CYS 65 HA CYS 65 3.797 4.759 -0.161 479 HB2 CYS 65 1HB CYS 65 5.210 6.708 0.587 480 HB3 CYS 65 2HB CYS 65 3.469 6.905 0.792 481 H GLY 66 H GLY 66 5.720 4.084 -0.816 482 HA2 GLY 66 1HA GLY 66 6.821 1.946 0.769 483 HA3 GLY 66 2HA GLY 66 7.199 2.323 -0.913 484 H ARG 67 H ARG 67 9.335 2.062 -0.685 485 HA ARG 67 HA ARG 67 10.794 3.052 1.570 486 HE ARG 67 HE ARG 67 12.450 -0.057 2.470 487 HB2 ARG 67 1HB ARG 67 12.026 2.048 -0.969 488 HB3 ARG 67 2HB ARG 67 12.672 1.998 0.666 489 HG2 ARG 67 1HG ARG 67 10.555 0.541 1.129 490 HG3 ARG 67 2HG ARG 67 10.636 0.305 -0.626 491 HD2 ARG 67 1HD ARG 67 11.838 -1.473 0.488 492 HD3 ARG 67 2HD ARG 67 12.975 -0.422 -0.375 493 HH11 ARG 67 1HH1 ARG 67 14.773 -0.781 -0.133 494 HH12 ARG 67 2HH1 ARG 67 16.141 -0.733 0.862 495 HH21 ARG 67 1HH2 ARG 67 14.390 -0.016 3.851 496 HH22 ARG 67 2HH2 ARG 67 15.922 -0.267 3.179 497 H ASN 68 H ASN 68 9.693 4.528 -1.065 498 HA ASN 68 HA ASN 68 11.986 6.278 -1.457 499 HB2 ASN 68 1HB ASN 68 9.339 6.080 -2.859 500 HB3 ASN 68 2HB ASN 68 10.634 7.199 -3.335 501 HD21 ASN 68 1HD2 ASN 68 9.312 5.041 -4.780 502 HD22 ASN 68 2HD2 ASN 68 10.569 3.921 -5.188 503 H SER 69 H SER 69 9.879 6.162 0.894 504 HA SER 69 HA SER 69 9.328 9.021 0.853 505 HG SER 69 HG SER 69 8.034 5.801 1.939 506 HB2 SER 69 1HB SER 69 7.533 8.536 2.474 507 HB3 SER 69 2HB SER 69 7.261 7.678 0.948 508 H GLN 70 H GLN 70 9.438 9.887 3.247 509 HA GLN 70 HA GLN 70 11.779 8.801 4.517 510 HB2 GLN 70 1HB GLN 70 11.462 10.610 6.176 511 HB3 GLN 70 2HB GLN 70 11.492 11.167 4.496 512 HG2 GLN 70 1HG GLN 70 9.142 11.493 4.491 513 HG3 GLN 70 2HG GLN 70 8.979 10.726 6.065 514 HE21 GLN 70 1HE2 GLN 70 8.318 13.362 5.002 515 HE22 GLN 70 2HE2 GLN 70 8.981 14.523 6.117 516 H GLU 71 H GLU 71 8.392 8.697 5.027 517 HA GLU 71 HA GLU 71 8.573 7.604 7.723 518 HB2 GLU 71 1HB GLU 71 6.265 8.241 5.928 519 HB3 GLU 71 2HB GLU 71 6.048 7.361 7.445 520 HG2 GLU 71 1HG GLU 71 7.350 10.063 7.251 521 HG3 GLU 71 2HG GLU 71 5.620 9.807 7.544 522 H GLN 72 H GLN 72 7.940 6.380 4.507 523 HA GLN 72 HA GLN 72 7.430 4.434 3.659 524 HB2 GLN 72 1HB GLN 72 9.816 4.324 4.377 525 HB3 GLN 72 2HB GLN 72 9.388 3.225 5.686 526 HG2 GLN 72 1HG GLN 72 8.488 1.659 3.972 527 HG3 GLN 72 2HG GLN 72 8.991 2.835 2.748 528 HE21 GLN 72 1HE2 GLN 72 11.355 3.471 4.279 529 HE22 GLN 72 2HE2 GLN 72 12.455 2.209 3.899 530 H HIS 73 H HIS 73 5.317 4.992 4.875 531 HA HIS 73 HA HIS 73 4.454 3.760 7.117 532 HD2 HIS 73 HD2 HIS 73 3.790 5.736 8.554 533 HE1 HIS 73 HE1 HIS 73 2.659 9.164 6.322 534 HE2 HIS 73 HE2 HIS 73 3.356 8.312 8.655 535 HB2 HIS 73 1HB HIS 73 3.135 4.900 4.713 536 HB3 HIS 73 2HB HIS 73 2.236 4.220 6.062 537 H ALA 74 H ALA 74 4.732 2.464 3.921 538 HA ALA 74 HA ALA 74 2.885 0.216 4.155 539 HB1 ALA 74 3HB ALA 74 3.812 1.006 1.987 540 HB2 ALA 74 1HB ALA 74 4.115 -0.705 2.288 541 HB3 ALA 74 2HB ALA 74 5.412 0.475 2.514 542 H LEU 75 H LEU 75 6.220 0.679 5.098 543 HA LEU 75 HA LEU 75 6.526 -2.096 5.774 544 HG LEU 75 HG LEU 75 9.394 -0.025 4.596 545 HB2 LEU 75 1HB LEU 75 8.196 0.321 6.408 546 HB3 LEU 75 2HB LEU 75 8.597 -1.300 6.961 547 HD11 LEU 75 1HD1 LEU 75 9.669 -2.838 5.482 548 HD12 LEU 75 2HD1 LEU 75 10.702 -1.414 5.874 549 HD13 LEU 75 3HD1 LEU 75 10.620 -2.022 4.218 550 HD21 LEU 75 3HD2 LEU 75 7.350 -0.737 3.463 551 HD22 LEU 75 1HD2 LEU 75 7.638 -2.396 3.983 552 HD23 LEU 75 2HD2 LEU 75 8.747 -1.624 2.847 553 H LYS 76 H LYS 76 6.072 0.987 7.617 554 HA LYS 76 HA LYS 76 5.662 0.256 10.084 555 HB2 LYS 76 1HB LYS 76 5.644 2.391 9.036 556 HB3 LYS 76 2HB LYS 76 4.136 1.969 8.225 557 HG2 LYS 76 1HG LYS 76 3.009 1.849 10.152 558 HG3 LYS 76 2HG LYS 76 4.490 2.001 11.129 559 HD2 LYS 76 1HD LYS 76 4.931 4.125 10.117 560 HD3 LYS 76 2HD LYS 76 3.444 3.956 9.162 561 HE2 LYS 76 1HE LYS 76 3.319 3.535 11.962 562 HE3 LYS 76 2HE LYS 76 3.447 5.243 11.468 563 HZ1 LYS 76 3HZ LYS 76 1.398 4.743 10.025 564 HZ2 LYS 76 1HZ LYS 76 1.106 4.585 11.684 565 HZ3 LYS 76 2HZ LYS 76 1.359 3.216 10.739 566 H HIS 77 H HIS 77 3.391 -0.142 7.376 567 HA HIS 77 HA HIS 77 1.262 -1.056 9.054 568 HD1 HIS 77 HD1 HIS 77 -1.489 -0.159 7.896 569 HD2 HIS 77 HD2 HIS 77 -0.212 -3.405 5.629 570 HE1 HIS 77 HE1 HIS 77 -3.543 -1.402 7.270 571 HB2 HIS 77 1HB HIS 77 0.917 0.094 6.926 572 HB3 HIS 77 2HB HIS 77 1.606 -1.278 6.044 573 H TYR 78 H TYR 78 3.831 -2.571 7.236 574 HA TYR 78 HA TYR 78 2.877 -5.188 7.725 575 HD1 TYR 78 HD1 TYR 78 3.730 -7.352 6.805 576 HD2 TYR 78 HD2 TYR 78 7.397 -5.384 7.702 577 HE1 TYR 78 HE1 TYR 78 4.799 -9.525 7.216 578 HE2 TYR 78 HE2 TYR 78 8.467 -7.558 8.115 579 HH TYR 78 HH TYR 78 7.796 -9.791 8.743 580 HB2 TYR 78 1HB TYR 78 4.378 -4.860 6.007 581 HB3 TYR 78 2HB TYR 78 5.587 -4.090 7.045 582 H LEU 79 H LEU 79 5.020 -2.933 9.594 583 HA LEU 79 HA LEU 79 5.706 -4.948 11.430 584 HG LEU 79 HG LEU 79 7.348 -2.820 9.615 585 HB2 LEU 79 1HB LEU 79 6.083 -1.959 11.454 586 HB3 LEU 79 2HB LEU 79 6.832 -3.109 12.563 587 HD11 LEU 79 1HD1 LEU 79 8.429 -1.137 10.970 588 HD12 LEU 79 2HD1 LEU 79 9.613 -2.272 10.324 589 HD13 LEU 79 3HD1 LEU 79 9.111 -2.386 12.012 590 HD21 LEU 79 3HD2 LEU 79 7.309 -5.135 10.226 591 HD22 LEU 79 1HD2 LEU 79 8.432 -4.852 11.558 592 HD23 LEU 79 2HD2 LEU 79 8.972 -4.627 9.882 593 H THR 80 H THR 80 3.024 -3.254 10.869 594 HA THR 80 HA THR 80 2.228 -2.512 13.526 595 HB THR 80 HB THR 80 0.461 -3.290 11.181 596 HG1 THR 80 HG1 THR 80 1.992 -1.308 11.239 597 HG21 THR 80 3HG2 THR 80 -1.340 -2.100 12.359 598 HG22 THR 80 1HG2 THR 80 -0.254 -1.798 13.721 599 HG23 THR 80 2HG2 THR 80 -0.735 -3.449 13.312 600 HA PRO 81 HA PRO 81 1.582 -6.727 14.963 601 HB2 PRO 81 1HB PRO 81 0.518 -6.195 17.373 602 HB3 PRO 81 2HB PRO 81 2.252 -5.986 17.040 603 HG2 PRO 81 1HG PRO 81 0.072 -3.967 17.112 604 HG3 PRO 81 2HG PRO 81 1.735 -3.946 17.771 605 HD2 PRO 81 1HD PRO 81 1.032 -2.719 15.408 606 HD3 PRO 81 2HD PRO 81 2.666 -3.349 15.731 607 H ARG 82 H ARG 82 0.117 -7.817 14.391 608 HA ARG 82 HA ARG 82 -2.676 -7.468 14.936 609 HE ARG 82 HE ARG 82 -3.609 -5.321 11.205 610 HB2 ARG 82 1HB ARG 82 -3.257 -7.727 12.397 611 HB3 ARG 82 2HB ARG 82 -2.901 -6.129 13.064 612 HG2 ARG 82 1HG ARG 82 -0.675 -6.215 12.161 613 HG3 ARG 82 2HG ARG 82 -0.933 -7.866 11.586 614 HD2 ARG 82 1HD ARG 82 -1.164 -6.167 9.792 615 HD3 ARG 82 2HD ARG 82 -2.612 -7.129 10.071 616 HH11 ARG 82 1HH1 ARG 82 -0.638 -4.322 9.465 617 HH12 ARG 82 2HH1 ARG 82 -1.149 -2.704 9.402 618 HH21 ARG 82 1HH2 ARG 82 -4.214 -3.081 11.030 619 HH22 ARG 82 2HH2 ARG 82 -3.187 -1.989 10.251 620 H SER 83 H SER 83 -4.006 -9.305 13.934 621 HA SER 83 HA SER 83 -2.518 -11.701 14.495 622 HG SER 83 HG SER 83 -5.477 -10.523 15.791 623 HB2 SER 83 1HB SER 83 -5.461 -11.339 13.878 624 HB3 SER 83 2HB SER 83 -4.704 -12.792 14.535 625 H GLU 84 H GLU 84 -4.122 -10.195 11.751 626 HA GLU 84 HA GLU 84 -3.280 -12.348 9.994 627 HB2 GLU 84 1HB GLU 84 -4.605 -9.717 9.486 628 HB3 GLU 84 2HB GLU 84 -4.117 -10.813 8.200 629 HG2 GLU 84 1HG GLU 84 -6.096 -11.539 10.361 630 HG3 GLU 84 2HG GLU 84 -6.525 -11.057 8.718 631 HA PRO 85 HA PRO 85 0.508 -10.573 9.180 632 HB2 PRO 85 1HB PRO 85 1.070 -11.264 6.595 633 HB3 PRO 85 2HB PRO 85 1.099 -12.406 7.955 634 HG2 PRO 85 1HG PRO 85 -1.017 -11.947 5.899 635 HG3 PRO 85 2HG PRO 85 -0.466 -13.471 6.631 636 HD2 PRO 85 1HD PRO 85 -2.743 -12.147 7.369 637 HD3 PRO 85 2HD PRO 85 -1.825 -13.224 8.446 638 H HIS 86 H HIS 86 -1.614 -9.884 6.411 639 HA HIS 86 HA HIS 86 -1.823 -8.084 4.972 640 HD2 HIS 86 HD2 HIS 86 -3.229 -8.565 8.208 641 HE1 HIS 86 HE1 HIS 86 -5.985 -5.596 7.016 642 HE2 HIS 86 HE2 HIS 86 -5.685 -7.731 8.340 643 HB2 HIS 86 1HB HIS 86 -0.994 -6.647 7.508 644 HB3 HIS 86 2HB HIS 86 -1.435 -5.795 6.022 645 H CYS 87 H CYS 87 0.372 -9.493 4.613 646 HA CYS 87 HA CYS 87 2.640 -7.744 4.780 647 HG CYS 87 HG CYS 87 1.723 -11.313 3.047 648 HB2 CYS 87 1HB CYS 87 3.907 -9.845 4.154 649 HB3 CYS 87 2HB CYS 87 3.135 -9.718 5.740 650 H LEU 88 H LEU 88 0.433 -7.997 2.604 651 HA LEU 88 HA LEU 88 2.126 -8.262 0.188 652 HG LEU 88 HG LEU 88 0.512 -10.841 1.278 653 HB2 LEU 88 1HB LEU 88 -0.669 -9.138 0.717 654 HB3 LEU 88 2HB LEU 88 -0.091 -9.029 -0.918 655 HD11 LEU 88 1HD1 LEU 88 0.080 -11.238 -1.667 656 HD12 LEU 88 2HD1 LEU 88 -1.122 -11.598 -0.386 657 HD13 LEU 88 3HD1 LEU 88 0.406 -12.524 -0.518 658 HD21 LEU 88 3HD2 LEU 88 2.399 -11.804 0.015 659 HD22 LEU 88 1HD2 LEU 88 2.655 -10.201 0.704 660 HD23 LEU 88 2HD2 LEU 88 2.318 -10.368 -1.019 661 H VAL 89 H VAL 89 2.500 -6.768 -0.807 662 HA VAL 89 HA VAL 89 0.409 -4.752 -0.993 663 HB VAL 89 HB VAL 89 2.037 -2.946 -0.868 664 HG11 VAL 89 1HG1 VAL 89 0.933 -3.465 1.202 665 HG12 VAL 89 2HG1 VAL 89 2.620 -3.033 1.530 666 HG13 VAL 89 3HG1 VAL 89 2.123 -4.726 1.536 667 HG21 VAL 89 3HG2 VAL 89 4.340 -3.282 -0.194 668 HG22 VAL 89 1HG2 VAL 89 3.945 -4.189 -1.656 669 HG23 VAL 89 2HG2 VAL 89 4.065 -5.035 -0.107 670 H LEU 90 H LEU 90 0.251 -3.879 -2.972 671 HA LEU 90 HA LEU 90 2.209 -4.775 -4.938 672 HG LEU 90 HG LEU 90 -1.001 -3.036 -4.702 673 HB2 LEU 90 1HB LEU 90 0.519 -4.658 -6.612 674 HB3 LEU 90 2HB LEU 90 -0.215 -5.431 -5.218 675 HD11 LEU 90 1HD1 LEU 90 0.144 -1.926 -6.449 676 HD12 LEU 90 2HD1 LEU 90 -1.601 -1.815 -6.794 677 HD13 LEU 90 3HD1 LEU 90 -0.576 -2.998 -7.638 678 HD21 LEU 90 3HD2 LEU 90 -2.544 -4.830 -5.051 679 HD22 LEU 90 1HD2 LEU 90 -2.271 -4.784 -6.797 680 HD23 LEU 90 2HD2 LEU 90 -3.082 -3.443 -5.993 681 H SER 91 H SER 91 2.884 -3.176 -6.500 682 HA SER 91 HA SER 91 3.098 -0.552 -5.294 683 HG SER 91 HG SER 91 5.436 -1.701 -8.385 684 HB2 SER 91 1HB SER 91 5.000 -0.280 -6.720 685 HB3 SER 91 2HB SER 91 5.008 -1.956 -6.152 686 H LEU 92 H LEU 92 2.071 1.198 -6.002 687 HA LEU 92 HA LEU 92 0.366 1.029 -8.351 688 HG LEU 92 HG LEU 92 -0.679 1.119 -5.678 689 HB2 LEU 92 1HB LEU 92 0.808 3.113 -6.222 690 HB3 LEU 92 2HB LEU 92 -0.236 3.379 -7.623 691 HD11 LEU 92 1HD1 LEU 92 -2.019 3.808 -5.760 692 HD12 LEU 92 2HD1 LEU 92 -0.813 3.335 -4.567 693 HD13 LEU 92 3HD1 LEU 92 -2.360 2.486 -4.641 694 HD21 LEU 92 3HD2 LEU 92 -2.411 2.548 -7.617 695 HD22 LEU 92 1HD2 LEU 92 -2.883 1.147 -6.660 696 HD23 LEU 92 2HD2 LEU 92 -1.662 0.968 -7.939 697 H ASP 93 H ASP 93 3.314 1.111 -8.286 698 HA ASP 93 HA ASP 93 3.855 3.555 -9.789 699 HB2 ASP 93 1HB ASP 93 5.705 1.705 -8.269 700 HB3 ASP 93 2HB ASP 93 6.287 2.964 -9.369 701 H ASN 94 H ASN 94 4.860 0.118 -9.744 702 HA ASN 94 HA ASN 94 4.707 0.230 -12.669 703 HB2 ASN 94 1HB ASN 94 6.604 -1.247 -12.835 704 HB3 ASN 94 2HB ASN 94 6.996 0.208 -11.900 705 HD21 ASN 94 1HD2 ASN 94 8.167 -2.519 -12.054 706 HD22 ASN 94 2HD2 ASN 94 8.269 -3.018 -10.390 707 H TRP 95 H TRP 95 3.388 -0.957 -10.018 708 HA TRP 95 HA TRP 95 1.967 -2.558 -9.513 709 HD1 TRP 95 HD1 TRP 95 1.558 -0.370 -12.940 710 HE1 TRP 95 HE1 TRP 95 -0.373 1.240 -12.447 711 HE3 TRP 95 HE3 TRP 95 -1.115 -3.297 -9.770 712 HZ2 TRP 95 HZ2 TRP 95 -2.749 1.257 -10.914 713 HZ3 TRP 95 HZ3 TRP 95 -3.176 -2.445 -8.827 714 HH2 TRP 95 HH2 TRP 95 -4.001 -0.201 -9.380 715 HB2 TRP 95 1HB TRP 95 1.846 -3.007 -12.500 716 HB3 TRP 95 2HB TRP 95 0.754 -3.762 -11.337 717 H SER 96 H SER 96 4.147 -3.317 -8.641 718 HA SER 96 HA SER 96 4.379 -6.123 -9.496 719 HG SER 96 HG SER 96 7.669 -4.743 -9.415 720 HB2 SER 96 1HB SER 96 6.195 -4.660 -7.601 721 HB3 SER 96 2HB SER 96 6.431 -6.249 -8.300 722 H VAL 97 H VAL 97 4.766 -7.579 -7.569 723 HA VAL 97 HA VAL 97 3.159 -6.613 -5.339 724 HB VAL 97 HB VAL 97 3.390 -9.371 -6.555 725 HG11 VAL 97 1HG1 VAL 97 3.638 -9.519 -4.186 726 HG12 VAL 97 2HG1 VAL 97 2.053 -10.151 -4.737 727 HG13 VAL 97 3HG1 VAL 97 2.178 -8.536 -3.966 728 HG21 VAL 97 3HG2 VAL 97 1.719 -7.795 -7.408 729 HG22 VAL 97 1HG2 VAL 97 1.017 -7.745 -5.782 730 HG23 VAL 97 2HG2 VAL 97 1.108 -9.287 -6.669 731 H TRP 98 H TRP 98 3.971 -6.927 -3.332 732 HA TRP 98 HA TRP 98 6.599 -8.164 -3.173 733 HD1 TRP 98 HD1 TRP 98 7.159 -6.726 0.642 734 HE1 TRP 98 HE1 TRP 98 9.634 -7.369 1.004 735 HE3 TRP 98 HE3 TRP 98 8.769 -6.463 -4.194 736 HZ2 TRP 98 HZ2 TRP 98 11.903 -7.710 -0.545 737 HZ3 TRP 98 HZ3 TRP 98 11.091 -6.952 -4.692 738 HH2 TRP 98 HH2 TRP 98 12.672 -7.559 -2.903 739 HB2 TRP 98 1HB TRP 98 6.658 -5.550 -2.927 740 HB3 TRP 98 2HB TRP 98 5.799 -5.856 -1.416 741 H CYS 99 H CYS 99 6.817 -9.665 -1.544 742 HA CYS 99 HA CYS 99 4.612 -9.694 0.334 743 HB2 CYS 99 1HB CYS 99 4.333 -11.617 -1.029 744 HB3 CYS 99 2HB CYS 99 6.027 -12.088 -0.955 745 H TYR 100 H TYR 100 5.292 -9.158 2.195 746 HA TYR 100 HA TYR 100 8.058 -8.693 2.629 747 HD1 TYR 100 HD1 TYR 100 8.357 -6.137 3.462 748 HD2 TYR 100 HD2 TYR 100 4.260 -7.226 3.822 749 HE1 TYR 100 HE1 TYR 100 7.728 -3.932 2.699 750 HE2 TYR 100 HE2 TYR 100 3.607 -4.963 3.046 751 HH TYR 100 HH TYR 100 5.773 -2.828 1.607 752 HB2 TYR 100 1HB TYR 100 5.796 -8.663 4.599 753 HB3 TYR 100 2HB TYR 100 7.446 -8.134 4.934 754 H VAL 101 H VAL 101 5.979 -11.332 3.424 755 HA VAL 101 HA VAL 101 7.887 -12.441 5.309 756 HB VAL 101 HB VAL 101 5.507 -12.635 5.825 757 HG11 VAL 101 1HG1 VAL 101 4.573 -12.638 3.716 758 HG12 VAL 101 2HG1 VAL 101 4.107 -14.207 4.433 759 HG13 VAL 101 3HG1 VAL 101 5.446 -14.074 3.265 760 HG21 VAL 101 3HG2 VAL 101 5.340 -15.050 6.296 761 HG22 VAL 101 1HG2 VAL 101 6.925 -14.398 6.718 762 HG23 VAL 101 2HG2 VAL 101 6.723 -15.334 5.237 763 H CYS 102 H CYS 102 7.210 -12.659 1.945 764 HA CYS 102 HA CYS 102 8.738 -15.118 1.631 765 HB2 CYS 102 1HB CYS 102 7.294 -13.265 -0.205 766 HB3 CYS 102 2HB CYS 102 8.612 -14.232 -0.867 767 H ASP 103 H ASP 103 8.886 -11.763 1.591 768 HA ASP 103 HA ASP 103 10.426 -10.181 1.493 769 HB2 ASP 103 1HB ASP 103 11.451 -11.457 3.284 770 HB3 ASP 103 2HB ASP 103 12.386 -12.413 2.124 771 H ASN 104 H ASN 104 9.556 -10.978 -0.941 772 HA ASN 104 HA ASN 104 11.719 -10.247 -2.538 773 HB2 ASN 104 1HB ASN 104 11.639 -12.139 -4.005 774 HB3 ASN 104 2HB ASN 104 11.885 -12.703 -2.328 775 HD21 ASN 104 1HD2 ASN 104 9.628 -12.351 -4.840 776 HD22 ASN 104 2HD2 ASN 104 8.355 -13.274 -4.205 777 H GLU 105 H GLU 105 10.664 -10.409 -4.896 778 HA GLU 105 HA GLU 105 8.195 -8.946 -4.883 779 HB2 GLU 105 1HB GLU 105 10.215 -8.466 -6.095 780 HB3 GLU 105 2HB GLU 105 9.913 -9.865 -7.123 781 HG2 GLU 105 1HG GLU 105 7.802 -9.032 -7.767 782 HG3 GLU 105 2HG GLU 105 8.035 -7.625 -6.727 783 H VAL 106 H VAL 106 6.273 -9.942 -5.564 784 HA VAL 106 HA VAL 106 6.460 -12.781 -6.204 785 HB VAL 106 HB VAL 106 3.876 -11.314 -5.577 786 HG11 VAL 106 1HG1 VAL 106 3.063 -13.559 -5.047 787 HG12 VAL 106 2HG1 VAL 106 4.634 -14.238 -5.465 788 HG13 VAL 106 3HG1 VAL 106 3.649 -13.471 -6.709 789 HG21 VAL 106 3HG2 VAL 106 5.428 -11.065 -3.691 790 HG22 VAL 106 1HG2 VAL 106 5.692 -12.808 -3.673 791 HG23 VAL 106 2HG2 VAL 106 4.101 -12.154 -3.285 792 H GLN 107 H GLN 107 5.691 -13.675 -8.024 793 HA GLN 107 HA GLN 107 4.801 -11.897 -10.112 794 HB2 GLN 107 1HB GLN 107 5.771 -13.533 -11.741 795 HB3 GLN 107 2HB GLN 107 7.003 -12.764 -10.743 796 HG2 GLN 107 1HG GLN 107 5.940 -15.400 -9.875 797 HG3 GLN 107 2HG GLN 107 6.984 -15.363 -11.287 798 HE21 GLN 107 1HE2 GLN 107 7.555 -13.031 -8.762 799 HE22 GLN 107 2HE2 GLN 107 8.946 -13.827 -8.107 800 H TYR 108 H TYR 108 2.985 -12.238 -10.636 801 HA TYR 108 HA TYR 108 1.472 -14.632 -9.869 802 HD1 TYR 108 HD2 TYR 108 2.069 -11.148 -8.501 803 HD2 TYR 108 HD1 TYR 108 -0.575 -11.061 -11.812 804 HE1 TYR 108 HE2 TYR 108 2.592 -8.846 -8.796 805 HE2 TYR 108 HE1 TYR 108 -0.068 -8.698 -12.169 806 HH TYR 108 HH TYR 108 2.514 -7.089 -10.611 807 HB2 TYR 108 1HB TYR 108 -0.536 -12.973 -10.375 808 HB3 TYR 108 2HB TYR 108 0.333 -12.925 -8.836 809 H CYS 109 H CYS 109 0.581 -12.331 -12.286 810 HA CYS 109 HA CYS 109 0.384 -12.322 -14.494 811 HG CYS 109 HG CYS 109 1.806 -15.100 -17.039 812 HB2 CYS 109 1HB CYS 109 2.716 -13.110 -14.601 813 HB3 CYS 109 2HB CYS 109 2.147 -14.781 -14.524 814 H SER 110 H SER 110 -1.809 -12.762 -13.813 815 HA SER 110 HA SER 110 -3.841 -13.540 -14.278 816 HG SER 110 HG SER 110 -2.336 -12.686 -16.367 817 HB2 SER 110 1HB SER 110 -2.439 -15.080 -16.472 818 HB3 SER 110 2HB SER 110 -4.179 -14.830 -16.369 819 H SER 111 H SER 111 -5.335 -15.420 -14.221 820 HA SER 111 HA SER 111 -6.181 -17.244 -13.396 821 HG SER 111 HG SER 111 -5.583 -18.142 -15.363 822 HB2 SER 111 1HB SER 111 -3.404 -18.414 -13.600 823 HB3 SER 111 2HB SER 111 -4.938 -19.289 -13.377 824 H ASN 112 H ASN 112 -3.061 -16.816 -11.778 825 HA ASN 112 HA ASN 112 -3.851 -17.822 -9.255 826 HB2 ASN 112 1HB ASN 112 -1.696 -15.831 -10.006 827 HB3 ASN 112 2HB ASN 112 -1.916 -16.456 -8.369 828 HD21 ASN 112 1HD2 ASN 112 -1.358 -18.572 -7.970 829 HD22 ASN 112 2HD2 ASN 112 -0.344 -19.454 -9.078 830 H GLN 113 H GLN 113 -4.785 -16.871 -7.555 831 HA GLN 113 HA GLN 113 -6.684 -14.919 -7.741 832 HB2 GLN 113 1HB GLN 113 -6.585 -16.411 -5.853 833 HB3 GLN 113 2HB GLN 113 -5.028 -15.747 -5.349 834 HG2 GLN 113 1HG GLN 113 -6.278 -13.568 -4.992 835 HG3 GLN 113 2HG GLN 113 -7.761 -14.522 -5.168 836 HE21 GLN 113 1HE2 GLN 113 -6.637 -13.078 -2.942 837 HE22 GLN 113 2HE2 GLN 113 -6.490 -14.147 -1.597 838 H LEU 114 H LEU 114 -3.182 -14.478 -7.024 839 HA LEU 114 HA LEU 114 -3.308 -11.842 -6.091 840 HG LEU 114 HG LEU 114 -0.497 -11.141 -7.347 841 HB2 LEU 114 1HB LEU 114 -1.515 -13.422 -5.666 842 HB3 LEU 114 2HB LEU 114 -1.165 -13.490 -7.392 843 HD11 LEU 114 1HD1 LEU 114 -1.945 -10.378 -5.573 844 HD12 LEU 114 2HD1 LEU 114 -0.262 -9.990 -5.201 845 HD13 LEU 114 3HD1 LEU 114 -1.058 -11.347 -4.396 846 HD21 LEU 114 3HD2 LEU 114 0.836 -12.719 -5.176 847 HD22 LEU 114 1HD2 LEU 114 1.543 -11.435 -6.145 848 HD23 LEU 114 2HD2 LEU 114 1.108 -12.970 -6.899 849 H GLY 115 H GLY 115 -2.831 -13.300 -9.278 850 HA2 GLY 115 1HA GLY 115 -2.294 -10.804 -10.561 851 HA3 GLY 115 2HA GLY 115 -2.698 -12.322 -11.378 852 H GLN 116 H GLN 116 -5.238 -12.902 -10.127 853 HA GLN 116 HA GLN 116 -7.049 -11.631 -11.594 854 HB2 GLN 116 1HB GLN 116 -7.353 -12.631 -8.795 855 HB3 GLN 116 2HB GLN 116 -8.610 -12.488 -10.026 856 HG2 GLN 116 1HG GLN 116 -6.240 -14.340 -10.142 857 HG3 GLN 116 2HG GLN 116 -7.889 -14.669 -9.626 858 HE21 GLN 116 1HE2 GLN 116 -9.413 -14.969 -11.084 859 HE22 GLN 116 2HE2 GLN 116 -9.110 -15.052 -12.796 860 H VAL 117 H VAL 117 -5.863 -10.883 -8.303 861 HA VAL 117 HA VAL 117 -7.863 -8.989 -8.100 862 HB VAL 117 HB VAL 117 -5.839 -10.001 -6.187 863 HG11 VAL 117 1HG1 VAL 117 -7.457 -7.480 -5.719 864 HG12 VAL 117 2HG1 VAL 117 -5.735 -7.512 -6.068 865 HG13 VAL 117 3HG1 VAL 117 -6.331 -8.235 -4.564 866 HG21 VAL 117 3HG2 VAL 117 -8.763 -9.437 -6.151 867 HG22 VAL 117 1HG2 VAL 117 -7.852 -10.254 -4.881 868 HG23 VAL 117 2HG2 VAL 117 -7.980 -10.992 -6.493 869 H VAL 118 H VAL 118 -4.279 -8.909 -8.421 870 HA VAL 118 HA VAL 118 -3.945 -6.188 -8.478 871 HB VAL 118 HB VAL 118 -2.573 -8.300 -10.131 872 HG11 VAL 118 1HG1 VAL 118 -0.749 -6.639 -10.502 873 HG12 VAL 118 2HG1 VAL 118 -1.711 -5.418 -9.670 874 HG13 VAL 118 3HG1 VAL 118 -2.269 -6.081 -11.205 875 HG21 VAL 118 3HG2 VAL 118 -2.246 -8.530 -7.734 876 HG22 VAL 118 1HG2 VAL 118 -1.727 -6.841 -7.652 877 HG23 VAL 118 2HG2 VAL 118 -0.743 -8.010 -8.527 878 H ASP 119 H ASP 119 -5.243 -8.271 -10.966 879 HA ASP 119 HA ASP 119 -5.232 -6.354 -13.096 880 HB2 ASP 119 1HB ASP 119 -5.454 -8.876 -13.368 881 HB3 ASP 119 2HB ASP 119 -7.024 -8.736 -12.586 882 H TYR 120 H TYR 120 -7.482 -7.454 -10.729 883 HA TYR 120 HA TYR 120 -9.695 -5.871 -11.527 884 HD1 TYR 120 HD2 TYR 120 -12.167 -5.711 -9.981 885 HD2 TYR 120 HD1 TYR 120 -9.260 -6.610 -7.026 886 HE1 TYR 120 HE2 TYR 120 -13.503 -4.525 -8.296 887 HE2 TYR 120 HE1 TYR 120 -10.553 -5.466 -5.349 888 HH TYR 120 HH TYR 120 -12.269 -3.661 -5.265 889 HB2 TYR 120 1HB TYR 120 -10.394 -7.639 -10.146 890 HB3 TYR 120 2HB TYR 120 -8.995 -7.465 -9.079 891 H VAL 121 H VAL 121 -7.203 -5.401 -9.117 892 HA VAL 121 HA VAL 121 -8.249 -2.945 -8.145 893 HB VAL 121 HB VAL 121 -5.559 -4.323 -7.799 894 HG11 VAL 121 1HG1 VAL 121 -5.309 -1.951 -7.424 895 HG12 VAL 121 2HG1 VAL 121 -5.211 -2.846 -5.900 896 HG13 VAL 121 3HG1 VAL 121 -6.690 -1.980 -6.331 897 HG21 VAL 121 3HG2 VAL 121 -7.323 -5.592 -6.842 898 HG22 VAL 121 1HG2 VAL 121 -7.967 -4.166 -6.034 899 HG23 VAL 121 2HG2 VAL 121 -6.404 -4.824 -5.538 900 H ARG 122 H ARG 122 -6.035 -3.886 -10.624 901 HA ARG 122 HA ARG 122 -5.029 -1.276 -11.056 902 HE ARG 122 HE ARG 122 -3.785 -3.404 -15.557 903 HB2 ARG 122 1HB ARG 122 -3.976 -3.394 -11.880 904 HB3 ARG 122 2HB ARG 122 -5.278 -3.486 -13.073 905 HG2 ARG 122 1HG ARG 122 -4.573 -1.623 -14.183 906 HG3 ARG 122 2HG ARG 122 -3.615 -1.058 -12.799 907 HD2 ARG 122 1HD ARG 122 -2.063 -1.938 -14.457 908 HD3 ARG 122 2HD ARG 122 -2.182 -3.102 -13.137 909 HH11 ARG 122 1HH1 ARG 122 -1.361 -4.693 -13.304 910 HH12 ARG 122 2HH1 ARG 122 -1.320 -6.241 -13.981 911 HH21 ARG 122 1HH2 ARG 122 -3.708 -5.567 -16.531 912 HH22 ARG 122 2HH2 ARG 122 -2.691 -6.750 -15.874 913 H LYS 123 H LYS 123 -7.894 -3.051 -12.223 914 HA LYS 123 HA LYS 123 -8.639 -1.014 -13.970 915 HB2 LYS 123 1HB LYS 123 -10.278 -3.127 -12.607 916 HB3 LYS 123 2HB LYS 123 -10.783 -2.167 -13.997 917 HG2 LYS 123 1HG LYS 123 -8.719 -2.960 -15.078 918 HG3 LYS 123 2HG LYS 123 -8.603 -4.162 -13.801 919 HD2 LYS 123 1HD LYS 123 -10.860 -4.990 -14.319 920 HD3 LYS 123 2HD LYS 123 -10.941 -3.849 -15.668 921 HE2 LYS 123 1HE LYS 123 -9.023 -4.933 -16.712 922 HE3 LYS 123 2HE LYS 123 -8.919 -6.055 -15.362 923 HZ1 LYS 123 3HZ LYS 123 -10.052 -7.046 -17.239 924 HZ2 LYS 123 1HZ LYS 123 -11.211 -5.828 -17.230 925 HZ3 LYS 123 2HZ LYS 123 -11.096 -6.909 -15.945 926 H GLN 124 H GLN 124 -8.778 -1.501 -10.701 927 HA GLN 124 HA GLN 124 -11.010 0.200 -10.111 928 HB2 GLN 124 1HB GLN 124 -8.830 -0.616 -8.204 929 HB3 GLN 124 2HB GLN 124 -10.186 0.408 -7.739 930 HG2 GLN 124 1HG GLN 124 -10.079 -2.521 -8.113 931 HG3 GLN 124 2HG GLN 124 -11.068 -1.448 -7.106 932 HE21 GLN 124 1HE2 GLN 124 -10.701 -2.925 -10.092 933 HE22 GLN 124 2HE2 GLN 124 -12.303 -2.770 -10.657 934 H ALA 125 H ALA 125 -7.530 0.478 -9.749 935 HA ALA 125 HA ALA 125 -7.428 3.223 -9.047 936 HB1 ALA 125 3HB ALA 125 -5.244 1.396 -10.026 937 HB2 ALA 125 1HB ALA 125 -5.851 1.517 -8.365 938 HB3 ALA 125 2HB ALA 125 -5.075 2.917 -9.113 939 H SER 126 H SER 126 -7.014 1.468 -12.071 940 HA SER 126 HA SER 126 -6.555 3.871 -13.534 941 HG SER 126 HG SER 126 -7.513 2.439 -16.310 942 HB2 SER 126 1HB SER 126 -5.884 1.513 -14.262 943 HB3 SER 126 2HB SER 126 -7.582 1.205 -14.581 Start of MODEL 17 1 HA PRO 5 HA PRO 5 9.062 -22.503 -5.807 2 HB2 PRO 5 1HB PRO 5 9.021 -20.977 -3.519 3 HB3 PRO 5 2HB PRO 5 9.848 -22.545 -3.641 4 HG2 PRO 5 1HG PRO 5 11.001 -19.788 -4.064 5 HG3 PRO 5 2HG PRO 5 11.614 -21.090 -2.995 6 HD2 PRO 5 1HD PRO 5 12.644 -20.625 -5.319 7 HD3 PRO 5 2HD PRO 5 12.306 -22.322 -4.861 8 H VAL 6 H VAL 6 7.375 -20.831 -4.401 9 HA VAL 6 HA VAL 6 7.000 -18.424 -5.952 10 HB VAL 6 HB VAL 6 5.816 -20.429 -7.056 11 HG11 VAL 6 1HG1 VAL 6 3.704 -21.204 -6.102 12 HG12 VAL 6 2HG1 VAL 6 4.048 -20.278 -4.644 13 HG13 VAL 6 3HG1 VAL 6 5.099 -21.615 -5.100 14 HG21 VAL 6 3HG2 VAL 6 5.157 -18.086 -7.477 15 HG22 VAL 6 1HG2 VAL 6 3.969 -18.211 -6.181 16 HG23 VAL 6 2HG2 VAL 6 3.807 -19.217 -7.622 17 H CYS 7 H CYS 7 4.825 -17.435 -4.824 18 HA CYS 7 HA CYS 7 5.267 -17.817 -2.018 19 HB2 CYS 7 1HB CYS 7 5.633 -15.486 -2.610 20 HB3 CYS 7 2HB CYS 7 4.130 -15.451 -3.534 21 H ARG 8 H ARG 8 3.411 -18.461 -0.815 22 HA ARG 8 HA ARG 8 0.972 -18.460 -2.287 23 HE ARG 8 HE ARG 8 2.924 -22.068 -2.650 24 HB2 ARG 8 1HB ARG 8 0.240 -20.622 -1.224 25 HB3 ARG 8 2HB ARG 8 1.545 -20.771 -2.406 26 HG2 ARG 8 1HG ARG 8 2.030 -20.650 0.537 27 HG3 ARG 8 2HG ARG 8 1.660 -22.167 -0.287 28 HD2 ARG 8 1HD ARG 8 3.905 -20.317 -1.030 29 HD3 ARG 8 2HD ARG 8 4.118 -21.760 -0.013 30 HH11 ARG 8 1HH1 ARG 8 5.850 -22.432 -0.678 31 HH12 ARG 8 2HH1 ARG 8 6.576 -23.549 -1.720 32 HH21 ARG 8 1HH2 ARG 8 3.938 -23.642 -4.082 33 HH22 ARG 8 2HH2 ARG 8 5.455 -24.266 -3.673 34 H HIS 9 H HIS 9 2.209 -16.727 -0.292 35 HA HIS 9 HA HIS 9 0.503 -16.896 2.103 36 HD2 HIS 9 HD2 HIS 9 2.030 -16.877 4.391 37 HE1 HIS 9 HE1 HIS 9 6.095 -16.664 3.240 38 HE2 HIS 9 HE2 HIS 9 4.468 -17.538 4.994 39 HB2 HIS 9 1HB HIS 9 2.441 -14.807 1.057 40 HB3 HIS 9 2HB HIS 9 1.442 -14.610 2.502 41 H ILE 10 H ILE 10 0.250 -16.202 -0.981 42 HA ILE 10 HA ILE 10 -1.523 -13.933 -1.346 43 HB ILE 10 HB ILE 10 -1.654 -16.596 -2.747 44 HG12 ILE 10 1HG1 ILE 10 0.435 -14.463 -3.119 45 HG13 ILE 10 2HG1 ILE 10 0.684 -16.124 -2.659 46 HG21 ILE 10 1HG2 ILE 10 -2.242 -15.242 -4.700 47 HG22 ILE 10 2HG2 ILE 10 -2.125 -13.780 -3.707 48 HG23 ILE 10 3HG2 ILE 10 -3.343 -15.007 -3.344 49 HD11 ILE 10 3HD1 ILE 10 0.008 -16.954 -4.766 50 HD12 ILE 10 1HD1 ILE 10 1.349 -15.830 -4.929 51 HD13 ILE 10 2HD1 ILE 10 -0.284 -15.308 -5.378 52 H ARG 11 H ARG 11 -1.998 -17.094 -0.421 53 HA ARG 11 HA ARG 11 -4.793 -17.130 -0.432 54 HE ARG 11 HE ARG 11 -5.226 -21.070 0.327 55 HB2 ARG 11 1HB ARG 11 -2.936 -18.663 1.360 56 HB3 ARG 11 2HB ARG 11 -4.648 -19.013 1.162 57 HG2 ARG 11 1HG ARG 11 -4.302 -19.462 -1.195 58 HG3 ARG 11 2HG ARG 11 -2.577 -19.084 -1.020 59 HD2 ARG 11 1HD ARG 11 -2.924 -21.464 -1.006 60 HD3 ARG 11 2HD ARG 11 -2.370 -20.927 0.579 61 HH11 ARG 11 1HH1 ARG 11 -2.317 -22.887 1.241 62 HH12 ARG 11 2HH1 ARG 11 -3.164 -24.103 2.054 63 HH21 ARG 11 1HH2 ARG 11 -6.384 -22.750 1.464 64 HH22 ARG 11 2HH2 ARG 11 -5.523 -24.018 2.211 65 H LYS 12 H LYS 12 -2.533 -16.046 2.089 66 HA LYS 12 HA LYS 12 -4.741 -15.392 3.887 67 HB2 LYS 12 1HB LYS 12 -1.781 -15.427 4.426 68 HB3 LYS 12 2HB LYS 12 -3.037 -15.130 5.614 69 HG2 LYS 12 1HG LYS 12 -3.904 -17.368 5.263 70 HG3 LYS 12 2HG LYS 12 -2.629 -17.661 4.063 71 HD2 LYS 12 1HD LYS 12 -0.946 -17.266 5.822 72 HD3 LYS 12 2HD LYS 12 -2.254 -17.064 6.994 73 HE2 LYS 12 1HE LYS 12 -3.046 -19.317 6.450 74 HE3 LYS 12 2HE LYS 12 -1.688 -19.491 5.344 75 HZ1 LYS 12 3HZ LYS 12 -1.294 -20.536 7.508 76 HZ2 LYS 12 1HZ LYS 12 -1.431 -19.044 8.266 77 HZ3 LYS 12 2HZ LYS 12 -0.162 -19.351 7.187 78 H GLY 13 H GLY 13 -2.340 -13.984 1.881 79 HA2 GLY 13 1HA GLY 13 -2.208 -11.346 3.174 80 HA3 GLY 13 2HA GLY 13 -1.276 -11.993 1.846 81 H LEU 14 H LEU 14 -4.242 -12.815 1.048 82 HA LEU 14 HA LEU 14 -4.865 -10.227 -0.130 83 HG LEU 14 HG LEU 14 -5.051 -10.124 -2.600 84 HB2 LEU 14 1HB LEU 14 -3.560 -11.882 -1.561 85 HB3 LEU 14 2HB LEU 14 -4.997 -12.891 -1.502 86 HD11 LEU 14 1HD1 LEU 14 -3.299 -11.329 -3.711 87 HD12 LEU 14 2HD1 LEU 14 -4.688 -11.187 -4.807 88 HD13 LEU 14 3HD1 LEU 14 -4.360 -12.707 -3.956 89 HD21 LEU 14 3HD2 LEU 14 -6.763 -12.576 -2.911 90 HD22 LEU 14 1HD2 LEU 14 -6.798 -11.205 -4.015 91 HD23 LEU 14 2HD2 LEU 14 -7.232 -10.973 -2.314 92 H GLU 15 H GLU 15 -6.925 -9.740 0.475 93 HA GLU 15 HA GLU 15 -8.660 -12.002 0.937 94 HB2 GLU 15 1HB GLU 15 -7.790 -10.767 3.091 95 HB3 GLU 15 2HB GLU 15 -8.952 -9.531 2.620 96 HG2 GLU 15 1HG GLU 15 -9.597 -12.386 3.188 97 HG3 GLU 15 2HG GLU 15 -9.711 -11.055 4.326 98 H GLN 16 H GLN 16 -9.773 -11.724 -0.989 99 HA GLN 16 HA GLN 16 -10.060 -9.427 -2.377 100 HB2 GLN 16 1HB GLN 16 -12.038 -11.685 -2.572 101 HB3 GLN 16 2HB GLN 16 -11.634 -10.463 -3.781 102 HG2 GLN 16 1HG GLN 16 -9.351 -11.337 -3.896 103 HG3 GLN 16 2HG GLN 16 -9.800 -12.602 -2.746 104 HE21 GLN 16 1HE2 GLN 16 -9.411 -14.268 -4.123 105 HE22 GLN 16 2HE2 GLN 16 -10.384 -14.565 -5.534 106 H GLY 17 H GLY 17 -12.221 -10.750 0.095 107 HA2 GLY 17 1HA GLY 17 -14.580 -9.373 -0.519 108 HA3 GLY 17 2HA GLY 17 -14.149 -10.087 1.040 109 H ASN 18 H ASN 18 -11.994 -8.563 1.795 110 HA ASN 18 HA ASN 18 -13.412 -6.108 2.318 111 HB2 ASN 18 1HB ASN 18 -11.967 -5.683 4.184 112 HB3 ASN 18 2HB ASN 18 -12.043 -7.442 4.079 113 HD21 ASN 18 1HD2 ASN 18 -10.185 -7.889 2.074 114 HD22 ASN 18 2HD2 ASN 18 -8.696 -7.392 2.801 115 H LEU 19 H LEU 19 -11.142 -7.081 0.086 116 HA LEU 19 HA LEU 19 -9.685 -4.698 -0.391 117 HG LEU 19 HG LEU 19 -8.260 -7.650 -2.149 118 HB2 LEU 19 1HB LEU 19 -10.416 -7.091 -2.013 119 HB3 LEU 19 2HB LEU 19 -9.821 -5.660 -2.844 120 HD11 LEU 19 1HD1 LEU 19 -7.532 -5.727 -3.371 121 HD12 LEU 19 2HD1 LEU 19 -6.391 -6.035 -2.037 122 HD13 LEU 19 3HD1 LEU 19 -7.585 -4.729 -1.906 123 HD21 LEU 19 3HD2 LEU 19 -8.121 -5.835 0.229 124 HD22 LEU 19 1HD2 LEU 19 -7.025 -7.171 -0.126 125 HD23 LEU 19 2HD2 LEU 19 -8.732 -7.492 0.217 126 H LYS 20 H LYS 20 -12.743 -5.919 -1.757 127 HA LYS 20 HA LYS 20 -13.359 -3.833 -3.547 128 HB2 LYS 20 1HB LYS 20 -15.331 -5.247 -1.763 129 HB3 LYS 20 2HB LYS 20 -15.555 -4.696 -3.409 130 HG2 LYS 20 1HG LYS 20 -13.859 -7.074 -2.601 131 HG3 LYS 20 2HG LYS 20 -15.524 -7.156 -3.192 132 HD2 LYS 20 1HD LYS 20 -13.288 -5.952 -4.747 133 HD3 LYS 20 2HD LYS 20 -13.639 -7.683 -4.779 134 HE2 LYS 20 1HE LYS 20 -14.584 -6.551 -6.665 135 HE3 LYS 20 2HE LYS 20 -15.889 -7.204 -5.665 136 HZ1 LYS 20 3HZ LYS 20 -16.344 -4.980 -4.883 137 HZ2 LYS 20 1HZ LYS 20 -16.330 -4.963 -6.547 138 HZ3 LYS 20 2HZ LYS 20 -15.016 -4.331 -5.720 139 H LYS 21 H LYS 21 -13.823 -3.989 -0.073 140 HA LYS 21 HA LYS 21 -15.541 -1.709 -0.288 141 HB2 LYS 21 1HB LYS 21 -15.757 -1.837 2.172 142 HB3 LYS 21 2HB LYS 21 -16.345 -3.201 1.247 143 HG2 LYS 21 1HG LYS 21 -15.447 -4.042 3.012 144 HG3 LYS 21 2HG LYS 21 -14.185 -4.330 1.805 145 HD2 LYS 21 1HD LYS 21 -13.031 -3.645 3.842 146 HD3 LYS 21 2HD LYS 21 -12.990 -2.283 2.731 147 HE2 LYS 21 1HE LYS 21 -13.490 -1.538 4.992 148 HE3 LYS 21 2HE LYS 21 -14.869 -1.264 3.935 149 HZ1 LYS 21 3HZ LYS 21 -14.591 -3.570 5.777 150 HZ2 LYS 21 1HZ LYS 21 -15.935 -3.220 4.846 151 HZ3 LYS 21 2HZ LYS 21 -15.499 -2.212 6.115 152 H ALA 22 H ALA 22 -12.220 -2.330 0.318 153 HA ALA 22 HA ALA 22 -11.801 0.139 1.718 154 HB1 ALA 22 3HB ALA 22 -9.455 -0.504 1.646 155 HB2 ALA 22 1HB ALA 22 -9.864 -1.851 0.588 156 HB3 ALA 22 2HB ALA 22 -10.464 -1.826 2.247 157 H LEU 23 H LEU 23 -11.355 -1.159 -1.530 158 HA LEU 23 HA LEU 23 -9.989 1.161 -2.486 159 HG LEU 23 HG LEU 23 -10.303 -2.317 -2.917 160 HB2 LEU 23 1HB LEU 23 -11.480 -0.769 -4.183 161 HB3 LEU 23 2HB LEU 23 -10.028 0.144 -4.581 162 HD11 LEU 23 1HD1 LEU 23 -8.692 -1.793 -5.364 163 HD12 LEU 23 2HD1 LEU 23 -10.164 -2.754 -5.212 164 HD13 LEU 23 3HD1 LEU 23 -8.683 -3.271 -4.401 165 HD21 LEU 23 3HD2 LEU 23 -7.760 -0.667 -3.099 166 HD22 LEU 23 1HD2 LEU 23 -7.917 -2.263 -2.351 167 HD23 LEU 23 2HD2 LEU 23 -8.770 -0.912 -1.661 168 H VAL 24 H VAL 24 -13.157 0.513 -1.790 169 HA VAL 24 HA VAL 24 -14.452 2.253 -3.629 170 HB VAL 24 HB VAL 24 -15.284 1.552 -0.793 171 HG11 VAL 24 1HG1 VAL 24 -16.885 2.927 -2.953 172 HG12 VAL 24 2HG1 VAL 24 -16.261 3.657 -1.472 173 HG13 VAL 24 3HG1 VAL 24 -17.507 2.403 -1.377 174 HG21 VAL 24 3HG2 VAL 24 -16.897 0.080 -1.901 175 HG22 VAL 24 1HG2 VAL 24 -15.227 -0.337 -2.284 176 HG23 VAL 24 2HG2 VAL 24 -16.216 0.526 -3.469 177 H ASN 25 H ASN 25 -13.171 2.822 -0.391 178 HA ASN 25 HA ASN 25 -13.702 5.715 -0.654 179 HB2 ASN 25 1HB ASN 25 -13.106 4.029 1.778 180 HB3 ASN 25 2HB ASN 25 -13.330 5.787 1.812 181 HD21 ASN 25 1HD2 ASN 25 -14.819 2.701 1.592 182 HD22 ASN 25 2HD2 ASN 25 -16.462 3.251 1.673 183 H VAL 26 H VAL 26 -11.384 3.889 -1.591 184 HA VAL 26 HA VAL 26 -9.139 4.801 -0.136 185 HB VAL 26 HB VAL 26 -9.781 2.746 -1.566 186 HG11 VAL 26 1HG1 VAL 26 -8.650 2.471 -3.564 187 HG12 VAL 26 2HG1 VAL 26 -8.341 4.217 -3.625 188 HG13 VAL 26 3HG1 VAL 26 -10.009 3.583 -3.614 189 HG21 VAL 26 3HG2 VAL 26 -8.052 2.712 -0.145 190 HG22 VAL 26 1HG2 VAL 26 -7.002 3.686 -1.207 191 HG23 VAL 26 2HG2 VAL 26 -7.520 2.040 -1.699 192 H GLU 27 H GLU 27 -7.438 5.992 -1.131 193 HA GLU 27 HA GLU 27 -8.299 7.904 -3.174 194 HB2 GLU 27 1HB GLU 27 -7.761 8.715 -0.860 195 HB3 GLU 27 2HB GLU 27 -6.106 8.189 -1.174 196 HG2 GLU 27 1HG GLU 27 -6.228 10.414 -1.559 197 HG3 GLU 27 2HG GLU 27 -6.105 9.604 -3.134 198 H TRP 28 H TRP 28 -7.430 7.139 -4.932 199 HA TRP 28 HA TRP 28 -5.364 5.217 -4.850 200 HD1 TRP 28 HD1 TRP 28 -8.941 4.949 -7.065 201 HE1 TRP 28 HE1 TRP 28 -9.523 2.516 -6.481 202 HE3 TRP 28 HE3 TRP 28 -4.349 3.408 -5.617 203 HZ2 TRP 28 HZ2 TRP 28 -8.159 0.247 -5.578 204 HZ3 TRP 28 HZ3 TRP 28 -4.059 1.091 -4.881 205 HH2 TRP 28 HH2 TRP 28 -5.929 -0.451 -4.854 206 HB2 TRP 28 1HB TRP 28 -6.918 6.410 -6.965 207 HB3 TRP 28 2HB TRP 28 -5.509 5.477 -7.467 208 H ASN 29 H ASN 29 -3.449 5.121 -4.989 209 HA ASN 29 HA ASN 29 -1.309 5.543 -5.118 210 HB2 ASN 29 1HB ASN 29 -2.028 6.143 -7.400 211 HB3 ASN 29 2HB ASN 29 -1.866 7.844 -6.994 212 HD21 ASN 29 1HD2 ASN 29 -0.250 4.996 -7.724 213 HD22 ASN 29 2HD2 ASN 29 1.366 5.649 -7.643 214 H ILE 30 H ILE 30 -3.148 6.825 -3.348 215 HA ILE 30 HA ILE 30 -1.211 8.741 -2.305 216 HB ILE 30 HB ILE 30 -4.212 8.958 -1.948 217 HG12 ILE 30 1HG1 ILE 30 -2.287 10.478 -3.713 218 HG13 ILE 30 2HG1 ILE 30 -3.853 9.709 -4.046 219 HG21 ILE 30 1HG2 ILE 30 -3.043 9.639 0.063 220 HG22 ILE 30 2HG2 ILE 30 -3.760 11.039 -0.708 221 HG23 ILE 30 3HG2 ILE 30 -2.023 10.748 -0.856 222 HD11 ILE 30 3HD1 ILE 30 -5.031 11.467 -2.938 223 HD12 ILE 30 1HD1 ILE 30 -3.951 12.146 -4.154 224 HD13 ILE 30 2HD1 ILE 30 -3.514 12.222 -2.447 225 H CYS 31 H CYS 31 -0.268 7.548 -0.892 226 HA CYS 31 HA CYS 31 -1.376 5.635 0.746 227 HB2 CYS 31 1HB CYS 31 0.956 5.778 0.856 228 HB3 CYS 31 2HB CYS 31 1.002 7.484 1.242 229 H GLN 32 H GLN 32 -3.129 5.880 1.623 230 HA GLN 32 HA GLN 32 -4.464 8.180 2.605 231 HB2 GLN 32 1HB GLN 32 -4.793 5.321 3.519 232 HB3 GLN 32 2HB GLN 32 -6.028 6.581 3.608 233 HG2 GLN 32 1HG GLN 32 -5.953 6.782 1.270 234 HG3 GLN 32 2HG GLN 32 -4.858 5.401 1.159 235 HE21 GLN 32 1HE2 GLN 32 -8.047 6.407 1.962 236 HE22 GLN 32 2HE2 GLN 32 -8.745 4.827 2.054 237 H ASP 33 H ASP 33 -2.473 5.890 3.901 238 HA ASP 33 HA ASP 33 -2.671 6.591 6.643 239 HB2 ASP 33 1HB ASP 33 -1.720 4.438 5.606 240 HB3 ASP 33 2HB ASP 33 -0.199 5.340 5.493 241 H CYS 34 H CYS 34 -1.023 8.337 4.005 242 HA CYS 34 HA CYS 34 0.713 9.791 5.706 243 HB2 CYS 34 1HB CYS 34 -0.030 9.590 2.888 244 HB3 CYS 34 2HB CYS 34 0.497 11.162 3.441 245 H LYS 35 H LYS 35 -2.460 9.893 4.441 246 HA LYS 35 HA LYS 35 -2.645 12.754 4.869 247 HB2 LYS 35 1HB LYS 35 -4.753 12.670 3.711 248 HB3 LYS 35 2HB LYS 35 -3.480 11.871 2.779 249 HG2 LYS 35 1HG LYS 35 -4.518 9.747 3.807 250 HG3 LYS 35 2HG LYS 35 -5.903 10.803 4.131 251 HD2 LYS 35 1HD LYS 35 -4.634 10.290 1.459 252 HD3 LYS 35 2HD LYS 35 -6.180 9.643 2.003 253 HE2 LYS 35 1HE LYS 35 -5.524 12.565 1.580 254 HE3 LYS 35 2HE LYS 35 -6.445 11.564 0.470 255 HZ1 LYS 35 3HZ LYS 35 -7.864 12.940 1.859 256 HZ2 LYS 35 1HZ LYS 35 -7.273 12.211 3.255 257 HZ3 LYS 35 2HZ LYS 35 -8.163 11.318 2.135 258 H THR 36 H THR 36 -4.065 9.783 6.102 259 HA THR 36 HA THR 36 -5.444 11.376 8.008 260 HB THR 36 HB THR 36 -6.311 9.114 8.849 261 HG1 THR 36 HG1 THR 36 -5.043 7.572 8.115 262 HG21 THR 36 3HG2 THR 36 -7.825 8.825 6.944 263 HG22 THR 36 1HG2 THR 36 -6.757 9.837 5.967 264 HG23 THR 36 2HG2 THR 36 -7.601 10.534 7.356 265 H ASP 37 H ASP 37 -2.485 10.856 7.749 266 HA ASP 37 HA ASP 37 -1.545 9.204 9.825 267 HB2 ASP 37 1HB ASP 37 -0.094 10.093 7.946 268 HB3 ASP 37 2HB ASP 37 -0.065 11.631 8.812 269 H ASN 38 H ASN 38 -2.268 12.581 9.732 270 HA ASN 38 HA ASN 38 -2.478 14.272 11.253 271 HB2 ASN 38 1HB ASN 38 -3.876 12.459 12.538 272 HB3 ASN 38 2HB ASN 38 -2.419 12.216 13.510 273 HD21 ASN 38 1HD2 ASN 38 -5.125 14.272 12.879 274 HD22 ASN 38 2HD2 ASN 38 -4.800 15.413 14.152 275 H LYS 39 H LYS 39 -1.134 14.621 13.824 276 HA LYS 39 HA LYS 39 0.878 15.158 14.712 277 HB2 LYS 39 1HB LYS 39 1.797 12.901 12.963 278 HB3 LYS 39 2HB LYS 39 2.848 13.815 14.049 279 HG2 LYS 39 1HG LYS 39 1.769 12.984 15.942 280 HG3 LYS 39 2HG LYS 39 0.406 12.384 14.983 281 HD2 LYS 39 1HD LYS 39 1.993 10.592 15.702 282 HD3 LYS 39 2HD LYS 39 1.731 10.743 13.964 283 HE2 LYS 39 1HE LYS 39 4.113 10.343 14.543 284 HE3 LYS 39 2HE LYS 39 3.847 11.841 13.661 285 HZ1 LYS 39 3HZ LYS 39 5.401 12.067 15.471 286 HZ2 LYS 39 1HZ LYS 39 4.240 11.634 16.604 287 HZ3 LYS 39 2HZ LYS 39 4.089 13.076 15.710 288 H VAL 40 H VAL 40 1.678 14.244 11.480 289 HA VAL 40 HA VAL 40 3.463 16.392 11.043 290 HB VAL 40 HB VAL 40 3.341 14.021 10.140 291 HG11 VAL 40 1HG1 VAL 40 2.369 13.648 7.948 292 HG12 VAL 40 2HG1 VAL 40 1.549 15.202 8.104 293 HG13 VAL 40 3HG1 VAL 40 1.207 13.911 9.256 294 HG21 VAL 40 3HG2 VAL 40 5.145 15.430 9.541 295 HG22 VAL 40 1HG2 VAL 40 4.162 16.263 8.336 296 HG23 VAL 40 2HG2 VAL 40 4.609 14.576 8.094 297 H LYS 41 H LYS 41 2.877 17.675 8.769 298 HA LYS 41 HA LYS 41 0.382 18.917 9.711 299 HB2 LYS 41 1HB LYS 41 2.914 20.279 9.012 300 HB3 LYS 41 2HB LYS 41 1.368 21.133 9.139 301 HG2 LYS 41 1HG LYS 41 2.868 19.600 11.275 302 HG3 LYS 41 2HG LYS 41 2.633 21.349 11.202 303 HD2 LYS 41 1HD LYS 41 0.218 21.004 11.390 304 HD3 LYS 41 2HD LYS 41 0.493 19.269 11.514 305 HE2 LYS 41 1HE LYS 41 1.828 19.628 13.525 306 HE3 LYS 41 2HE LYS 41 1.450 21.350 13.448 307 HZ1 LYS 41 3HZ LYS 41 -0.513 19.139 13.796 308 HZ2 LYS 41 1HZ LYS 41 -0.926 20.771 13.660 309 HZ3 LYS 41 2HZ LYS 41 -0.022 20.223 14.978 310 H ASP 42 H ASP 42 2.056 18.271 6.794 311 HA ASP 42 HA ASP 42 0.126 19.931 5.411 312 HB2 ASP 42 1HB ASP 42 2.443 18.363 4.385 313 HB3 ASP 42 2HB ASP 42 1.187 18.898 3.261 314 H LYS 43 H LYS 43 0.884 16.446 5.291 315 HA LYS 43 HA LYS 43 -0.462 14.646 4.863 316 HB2 LYS 43 1HB LYS 43 -2.441 16.588 5.982 317 HB3 LYS 43 2HB LYS 43 -2.800 14.879 5.684 318 HG2 LYS 43 1HG LYS 43 -1.483 14.156 7.405 319 HG3 LYS 43 2HG LYS 43 -0.453 15.586 7.370 320 HD2 LYS 43 1HD LYS 43 -1.763 15.607 9.411 321 HD3 LYS 43 2HD LYS 43 -2.341 16.886 8.360 322 HE2 LYS 43 1HE LYS 43 -3.670 14.181 8.622 323 HE3 LYS 43 2HE LYS 43 -4.117 15.581 9.584 324 HZ1 LYS 43 3HZ LYS 43 -4.423 15.269 6.628 325 HZ2 LYS 43 1HZ LYS 43 -4.684 16.723 7.462 326 HZ3 LYS 43 2HZ LYS 43 -5.612 15.388 7.789 327 H ALA 44 H ALA 44 -0.172 16.722 2.693 328 HA ALA 44 HA ALA 44 -2.449 15.946 1.079 329 HB1 ALA 44 3HB ALA 44 -1.797 18.804 1.636 330 HB2 ALA 44 1HB ALA 44 -3.213 17.952 2.273 331 HB3 ALA 44 2HB ALA 44 -3.040 18.220 0.529 332 H GLU 45 H GLU 45 0.467 17.919 1.363 333 HA GLU 45 HA GLU 45 1.015 17.340 -1.417 334 HB2 GLU 45 1HB GLU 45 1.275 19.784 -1.835 335 HB3 GLU 45 2HB GLU 45 -0.381 19.137 -1.825 336 HG2 GLU 45 1HG GLU 45 -0.416 19.977 0.621 337 HG3 GLU 45 2HG GLU 45 1.042 20.865 0.208 338 H GLU 46 H GLU 46 2.300 19.867 0.735 339 HA GLU 46 HA GLU 46 4.915 19.638 -0.365 340 HB2 GLU 46 1HB GLU 46 3.668 21.696 0.292 341 HB3 GLU 46 2HB GLU 46 3.872 21.214 1.981 342 HG2 GLU 46 1HG GLU 46 6.267 21.253 1.617 343 HG3 GLU 46 2HG GLU 46 5.949 21.879 -0.013 344 H GLU 47 H GLU 47 4.186 17.213 0.973 345 HA GLU 47 HA GLU 47 6.209 17.059 3.045 346 HB2 GLU 47 1HB GLU 47 4.265 17.867 4.035 347 HB3 GLU 47 2HB GLU 47 3.272 16.596 3.320 348 HG2 GLU 47 1HG GLU 47 4.468 15.028 4.621 349 HG3 GLU 47 2HG GLU 47 5.393 16.375 5.342 350 H THR 48 H THR 48 5.290 15.980 0.303 351 HA THR 48 HA THR 48 4.761 13.198 0.876 352 HB THR 48 HB THR 48 3.473 14.260 -0.935 353 HG1 THR 48 HG1 THR 48 5.146 12.091 -1.361 354 HG21 THR 48 3HG2 THR 48 6.156 14.478 -2.312 355 HG22 THR 48 1HG2 THR 48 5.147 15.820 -1.783 356 HG23 THR 48 2HG2 THR 48 4.608 14.766 -3.096 357 H GLU 49 H GLU 49 7.514 15.097 0.300 358 HA GLU 49 HA GLU 49 9.729 14.659 -0.004 359 HB2 GLU 49 1HB GLU 49 8.939 11.750 0.387 360 HB3 GLU 49 2HB GLU 49 10.596 12.357 0.360 361 HG2 GLU 49 1HG GLU 49 8.474 12.978 2.394 362 HG3 GLU 49 2HG GLU 49 9.883 11.938 2.611 363 H GLU 50 H GLU 50 11.011 12.577 -1.408 364 HA GLU 50 HA GLU 50 10.544 13.226 -4.071 365 HB2 GLU 50 1HB GLU 50 11.906 11.177 -4.595 366 HB3 GLU 50 2HB GLU 50 12.661 12.214 -3.397 367 HG2 GLU 50 1HG GLU 50 11.984 10.750 -1.616 368 HG3 GLU 50 2HG GLU 50 11.041 9.771 -2.729 369 H LYS 51 H LYS 51 9.230 12.232 -5.658 370 HA LYS 51 HA LYS 51 6.795 11.302 -5.176 371 HB2 LYS 51 1HB LYS 51 8.472 10.500 -7.570 372 HB3 LYS 51 2HB LYS 51 6.708 10.449 -7.478 373 HG2 LYS 51 1HG LYS 51 8.459 12.901 -7.419 374 HG3 LYS 51 2HG LYS 51 7.453 12.352 -8.756 375 HD2 LYS 51 1HD LYS 51 5.461 12.662 -7.345 376 HD3 LYS 51 2HD LYS 51 6.512 13.246 -6.047 377 HE2 LYS 51 1HE LYS 51 7.297 15.058 -7.519 378 HE3 LYS 51 2HE LYS 51 6.206 14.490 -8.774 379 HZ1 LYS 51 3HZ LYS 51 5.315 16.371 -7.551 380 HZ2 LYS 51 1HZ LYS 51 5.344 15.521 -6.112 381 HZ3 LYS 51 2HZ LYS 51 4.321 15.045 -7.379 382 HA PRO 52 HA PRO 52 8.152 7.582 -3.398 383 HB2 PRO 52 1HB PRO 52 6.430 7.502 -1.438 384 HB3 PRO 52 2HB PRO 52 7.483 8.933 -1.746 385 HG2 PRO 52 1HG PRO 52 4.660 8.615 -2.691 386 HG3 PRO 52 2HG PRO 52 5.298 9.829 -1.550 387 HD2 PRO 52 1HD PRO 52 5.323 10.356 -4.277 388 HD3 PRO 52 2HD PRO 52 6.571 10.870 -3.134 389 H SER 53 H SER 53 7.538 5.454 -3.181 390 HA SER 53 HA SER 53 5.807 4.459 -5.140 391 HG SER 53 HG SER 53 8.678 2.951 -2.906 392 HB2 SER 53 1HB SER 53 6.550 2.313 -3.916 393 HB3 SER 53 2HB SER 53 7.769 3.268 -4.782 394 H VAL 54 H VAL 54 3.926 3.569 -4.814 395 HA VAL 54 HA VAL 54 2.779 3.781 -2.102 396 HB VAL 54 HB VAL 54 1.133 4.292 -4.637 397 HG11 VAL 54 1HG1 VAL 54 -0.037 3.295 -2.720 398 HG12 VAL 54 2HG1 VAL 54 -0.598 4.906 -3.153 399 HG13 VAL 54 3HG1 VAL 54 0.447 4.686 -1.742 400 HG21 VAL 54 3HG2 VAL 54 2.073 6.252 -2.553 401 HG22 VAL 54 1HG2 VAL 54 1.074 6.603 -3.959 402 HG23 VAL 54 2HG2 VAL 54 2.765 6.110 -4.165 403 H TRP 55 H TRP 55 2.484 2.085 -1.357 404 HA TRP 55 HA TRP 55 2.055 -0.283 -3.014 405 HD1 TRP 55 HD1 TRP 55 5.162 1.490 -0.946 406 HE1 TRP 55 HE1 TRP 55 7.337 0.987 -2.231 407 HE3 TRP 55 HE3 TRP 55 3.889 -2.990 -3.033 408 HZ2 TRP 55 HZ2 TRP 55 8.379 -1.012 -3.891 409 HZ3 TRP 55 HZ3 TRP 55 5.539 -4.137 -4.455 410 HH2 TRP 55 HH2 TRP 55 7.735 -3.167 -4.875 411 HB2 TRP 55 1HB TRP 55 3.157 -0.079 -0.205 412 HB3 TRP 55 2HB TRP 55 2.923 -1.581 -1.104 413 H LEU 56 H LEU 56 0.250 -1.147 -2.910 414 HA LEU 56 HA LEU 56 -1.624 -0.393 -0.805 415 HG LEU 56 HG LEU 56 -3.761 -1.863 -1.237 416 HB2 LEU 56 1HB LEU 56 -2.454 0.006 -3.004 417 HB3 LEU 56 2HB LEU 56 -2.224 -1.673 -3.482 418 HD11 LEU 56 1HD1 LEU 56 -4.136 0.457 -1.058 419 HD12 LEU 56 2HD1 LEU 56 -5.639 -0.343 -1.518 420 HD13 LEU 56 3HD1 LEU 56 -4.710 0.549 -2.722 421 HD21 LEU 56 3HD2 LEU 56 -4.555 -1.786 -4.114 422 HD22 LEU 56 1HD2 LEU 56 -5.590 -2.389 -2.793 423 HD23 LEU 56 2HD2 LEU 56 -4.039 -3.166 -3.126 424 H CYS 57 H CYS 57 -2.032 -1.789 0.718 425 HA CYS 57 HA CYS 57 -1.041 -4.443 1.017 426 HB2 CYS 57 1HB CYS 57 -1.846 -2.798 2.784 427 HB3 CYS 57 2HB CYS 57 -3.479 -3.209 2.289 428 H LEU 58 H LEU 58 -1.604 -6.166 -0.342 429 HA LEU 58 HA LEU 58 -4.036 -6.250 -1.803 430 HG LEU 58 HG LEU 58 -1.811 -6.062 -3.015 431 HB2 LEU 58 1HB LEU 58 -1.715 -8.026 -1.192 432 HB3 LEU 58 2HB LEU 58 -3.085 -8.602 -2.129 433 HD11 LEU 58 1HD1 LEU 58 -0.712 -8.812 -3.609 434 HD12 LEU 58 2HD1 LEU 58 0.054 -7.582 -2.578 435 HD13 LEU 58 3HD1 LEU 58 -0.213 -7.246 -4.290 436 HD21 LEU 58 3HD2 LEU 58 -3.812 -6.925 -4.061 437 HD22 LEU 58 1HD2 LEU 58 -2.986 -8.468 -4.308 438 HD23 LEU 58 2HD2 LEU 58 -2.420 -7.033 -5.162 439 H LYS 59 H LYS 59 -3.244 -6.757 1.188 440 HA LYS 59 HA LYS 59 -5.083 -8.865 1.736 441 HB2 LYS 59 1HB LYS 59 -3.099 -8.953 2.954 442 HB3 LYS 59 2HB LYS 59 -3.248 -7.295 3.538 443 HG2 LYS 59 1HG LYS 59 -3.845 -8.761 5.311 444 HG3 LYS 59 2HG LYS 59 -5.259 -7.930 4.608 445 HD2 LYS 59 1HD LYS 59 -6.035 -9.784 3.537 446 HD3 LYS 59 2HD LYS 59 -4.512 -10.687 3.657 447 HE2 LYS 59 1HE LYS 59 -6.081 -11.634 5.138 448 HE3 LYS 59 2HE LYS 59 -4.854 -10.721 6.058 449 HZ1 LYS 59 3HZ LYS 59 -6.646 -8.849 5.997 450 HZ2 LYS 59 1HZ LYS 59 -6.924 -10.148 7.030 451 HZ3 LYS 59 2HZ LYS 59 -7.709 -10.083 5.583 452 H CYS 60 H CYS 60 -4.922 -5.399 2.412 453 HA CYS 60 HA CYS 60 -7.808 -5.585 3.087 454 HB2 CYS 60 1HB CYS 60 -7.639 -4.320 5.066 455 HB3 CYS 60 2HB CYS 60 -6.348 -5.537 5.088 456 H GLY 61 H GLY 61 -5.750 -4.073 1.084 457 HA2 GLY 61 1HA GLY 61 -6.174 -2.350 -0.350 458 HA3 GLY 61 2HA GLY 61 -7.746 -2.129 0.433 459 H HIS 62 H HIS 62 -5.149 -2.138 2.525 460 HA HIS 62 HA HIS 62 -5.260 0.743 3.048 461 HD1 HIS 62 HD1 HIS 62 -1.352 0.266 4.278 462 HD2 HIS 62 HD2 HIS 62 -4.785 1.607 6.190 463 HE1 HIS 62 HE1 HIS 62 -0.652 2.232 5.641 464 HB2 HIS 62 1HB HIS 62 -4.883 -0.834 4.922 465 HB3 HIS 62 2HB HIS 62 -3.383 -1.361 4.145 466 H GLN 63 H GLN 63 -4.212 2.166 2.160 467 HA GLN 63 HA GLN 63 -2.155 1.343 0.327 468 HB2 GLN 63 1HB GLN 63 -4.218 2.416 -0.414 469 HB3 GLN 63 2HB GLN 63 -3.702 3.841 0.484 470 HG2 GLN 63 1HG GLN 63 -1.948 4.262 -1.004 471 HG3 GLN 63 2HG GLN 63 -2.157 2.661 -1.752 472 HE21 GLN 63 1HE2 GLN 63 -4.938 4.391 -0.871 473 HE22 GLN 63 2HE2 GLN 63 -5.326 4.857 -2.502 474 H GLY 64 H GLY 64 -0.231 1.889 0.786 475 HA2 GLY 64 1HA GLY 64 0.502 4.121 2.576 476 HA3 GLY 64 2HA GLY 64 1.115 2.501 2.830 477 H CYS 65 H CYS 65 2.755 4.493 2.607 478 HA CYS 65 HA CYS 65 3.744 4.574 -0.120 479 HB2 CYS 65 1HB CYS 65 5.118 6.486 0.752 480 HB3 CYS 65 2HB CYS 65 3.372 6.722 0.882 481 H GLY 66 H GLY 66 5.823 3.874 -0.571 482 HA2 GLY 66 1HA GLY 66 6.847 1.939 1.363 483 HA3 GLY 66 2HA GLY 66 7.215 1.997 -0.361 484 H ARG 67 H ARG 67 9.330 1.874 -0.213 485 HA ARG 67 HA ARG 67 11.025 2.944 1.728 486 HE ARG 67 HE ARG 67 13.502 1.891 -2.267 487 HB2 ARG 67 1HB ARG 67 11.593 1.021 0.367 488 HB3 ARG 67 2HB ARG 67 11.626 2.021 -1.070 489 HG2 ARG 67 1HG ARG 67 13.538 3.211 -0.258 490 HG3 ARG 67 2HG ARG 67 13.491 2.317 1.270 491 HD2 ARG 67 1HD ARG 67 15.170 1.358 -0.184 492 HD3 ARG 67 2HD ARG 67 13.826 0.233 0.007 493 HH11 ARG 67 1HH1 ARG 67 15.224 -0.987 -1.136 494 HH12 ARG 67 2HH1 ARG 67 15.376 -1.664 -2.693 495 HH21 ARG 67 1HH2 ARG 67 13.726 0.957 -4.392 496 HH22 ARG 67 2HH2 ARG 67 14.506 -0.545 -4.583 497 H ASN 68 H ASN 68 9.826 4.407 -1.129 498 HA ASN 68 HA ASN 68 11.875 6.388 -1.367 499 HB2 ASN 68 1HB ASN 68 9.108 6.207 -2.483 500 HB3 ASN 68 2HB ASN 68 10.211 7.546 -2.861 501 HD21 ASN 68 1HD2 ASN 68 11.963 7.106 -4.183 502 HD22 ASN 68 2HD2 ASN 68 12.025 5.679 -5.181 503 H SER 69 H SER 69 9.560 6.073 1.045 504 HA SER 69 HA SER 69 9.082 8.944 1.002 505 HG SER 69 HG SER 69 7.797 5.769 2.085 506 HB2 SER 69 1HB SER 69 7.142 8.518 2.398 507 HB3 SER 69 2HB SER 69 7.082 7.568 0.907 508 H GLN 70 H GLN 70 8.863 9.910 3.275 509 HA GLN 70 HA GLN 70 11.182 9.310 4.830 510 HB2 GLN 70 1HB GLN 70 10.358 11.609 4.584 511 HB3 GLN 70 2HB GLN 70 8.857 11.157 5.408 512 HG2 GLN 70 1HG GLN 70 10.201 10.630 7.420 513 HG3 GLN 70 2HG GLN 70 11.628 11.218 6.571 514 HE21 GLN 70 1HE2 GLN 70 11.833 13.408 6.183 515 HE22 GLN 70 2HE2 GLN 70 10.873 14.571 7.046 516 H GLU 71 H GLU 71 7.782 8.705 5.097 517 HA GLU 71 HA GLU 71 7.994 7.777 7.836 518 HB2 GLU 71 1HB GLU 71 5.762 8.249 5.944 519 HB3 GLU 71 2HB GLU 71 5.513 7.278 7.400 520 HG2 GLU 71 1HG GLU 71 6.606 10.070 7.375 521 HG3 GLU 71 2HG GLU 71 4.906 9.625 7.650 522 H GLN 72 H GLN 72 7.543 6.398 4.632 523 HA GLN 72 HA GLN 72 7.281 4.324 3.885 524 HB2 GLN 72 1HB GLN 72 9.085 3.820 6.242 525 HB3 GLN 72 2HB GLN 72 8.719 2.564 5.056 526 HG2 GLN 72 1HG GLN 72 9.620 4.095 3.299 527 HG3 GLN 72 2HG GLN 72 10.151 5.158 4.602 528 HE21 GLN 72 1HE2 GLN 72 10.513 2.106 3.191 529 HE22 GLN 72 2HE2 GLN 72 12.099 1.936 3.866 530 H HIS 73 H HIS 73 5.007 4.961 4.910 531 HA HIS 73 HA HIS 73 4.099 3.726 7.151 532 HD2 HIS 73 HD2 HIS 73 3.149 5.553 8.652 533 HE1 HIS 73 HE1 HIS 73 2.361 9.092 6.415 534 HE2 HIS 73 HE2 HIS 73 2.761 8.134 8.814 535 HB2 HIS 73 1HB HIS 73 2.863 4.883 4.730 536 HB3 HIS 73 2HB HIS 73 1.909 4.144 6.008 537 H ALA 74 H ALA 74 4.485 2.455 3.913 538 HA ALA 74 HA ALA 74 2.706 0.177 4.231 539 HB1 ALA 74 3HB ALA 74 5.096 0.535 2.410 540 HB2 ALA 74 1HB ALA 74 3.443 1.002 2.009 541 HB3 ALA 74 2HB ALA 74 3.843 -0.697 2.264 542 H LEU 75 H LEU 75 6.047 0.838 4.951 543 HA LEU 75 HA LEU 75 6.710 -1.852 5.706 544 HG LEU 75 HG LEU 75 9.891 0.235 4.879 545 HB2 LEU 75 1HB LEU 75 8.013 0.841 6.260 546 HB3 LEU 75 2HB LEU 75 8.681 -0.685 6.819 547 HD11 LEU 75 1HD1 LEU 75 9.944 -2.115 5.217 548 HD12 LEU 75 2HD1 LEU 75 9.945 -1.724 3.495 549 HD13 LEU 75 3HD1 LEU 75 8.467 -2.325 4.263 550 HD21 LEU 75 3HD2 LEU 75 8.052 1.363 3.677 551 HD22 LEU 75 1HD2 LEU 75 7.348 -0.208 3.313 552 HD23 LEU 75 2HD2 LEU 75 8.909 0.237 2.629 553 H LYS 76 H LYS 76 5.960 1.183 7.560 554 HA LYS 76 HA LYS 76 5.689 0.127 9.985 555 HB2 LYS 76 1HB LYS 76 4.085 2.266 8.625 556 HB3 LYS 76 2HB LYS 76 3.974 1.900 10.354 557 HG2 LYS 76 1HG LYS 76 6.377 2.304 10.503 558 HG3 LYS 76 2HG LYS 76 6.336 2.761 8.786 559 HD2 LYS 76 1HD LYS 76 4.978 4.642 9.231 560 HD3 LYS 76 2HD LYS 76 4.617 4.088 10.882 561 HE2 LYS 76 1HE LYS 76 6.984 4.181 11.325 562 HE3 LYS 76 2HE LYS 76 7.246 5.006 9.782 563 HZ1 LYS 76 3HZ LYS 76 7.070 6.600 11.641 564 HZ2 LYS 76 1HZ LYS 76 5.525 6.059 11.982 565 HZ3 LYS 76 2HZ LYS 76 5.852 6.879 10.538 566 H HIS 77 H HIS 77 3.389 -0.153 7.302 567 HA HIS 77 HA HIS 77 1.273 -1.155 8.973 568 HD1 HIS 77 HD1 HIS 77 -1.418 -0.389 8.185 569 HD2 HIS 77 HD2 HIS 77 -0.282 -3.339 5.467 570 HE1 HIS 77 HE1 HIS 77 -3.463 -1.745 7.750 571 HB2 HIS 77 1HB HIS 77 0.892 0.050 6.784 572 HB3 HIS 77 2HB HIS 77 1.533 -1.375 5.965 573 H TYR 78 H TYR 78 3.908 -2.552 7.165 574 HA TYR 78 HA TYR 78 3.023 -5.189 7.600 575 HD1 TYR 78 HD2 TYR 78 4.069 -7.380 6.730 576 HD2 TYR 78 HD1 TYR 78 7.535 -5.253 7.992 577 HE1 TYR 78 HE2 TYR 78 5.167 -9.511 7.305 578 HE2 TYR 78 HE1 TYR 78 8.632 -7.368 8.577 579 HH TYR 78 HH TYR 78 7.489 -10.408 7.608 580 HB2 TYR 78 1HB TYR 78 4.667 -4.853 5.992 581 HB3 TYR 78 2HB TYR 78 5.760 -4.027 7.112 582 H LEU 79 H LEU 79 4.967 -2.879 9.588 583 HA LEU 79 HA LEU 79 5.540 -4.847 11.533 584 HG LEU 79 HG LEU 79 7.183 -2.613 9.809 585 HB2 LEU 79 1HB LEU 79 5.772 -1.840 11.592 586 HB3 LEU 79 2HB LEU 79 6.520 -2.967 12.725 587 HD11 LEU 79 1HD1 LEU 79 8.773 -2.042 12.295 588 HD12 LEU 79 2HD1 LEU 79 8.051 -0.850 11.217 589 HD13 LEU 79 3HD1 LEU 79 9.356 -1.886 10.639 590 HD21 LEU 79 3HD2 LEU 79 7.293 -4.929 10.434 591 HD22 LEU 79 1HD2 LEU 79 8.321 -4.553 11.816 592 HD23 LEU 79 2HD2 LEU 79 8.923 -4.290 10.170 593 H THR 80 H THR 80 2.913 -3.245 10.700 594 HA THR 80 HA THR 80 1.769 -2.411 13.169 595 HB THR 80 HB THR 80 0.404 -3.238 10.587 596 HG1 THR 80 HG1 THR 80 1.837 -1.249 10.885 597 HG21 THR 80 3HG2 THR 80 -1.612 -2.077 11.418 598 HG22 THR 80 1HG2 THR 80 -0.818 -1.806 12.970 599 HG23 THR 80 2HG2 THR 80 -1.200 -3.446 12.449 600 HA PRO 81 HA PRO 81 0.902 -6.539 14.653 601 HB2 PRO 81 1HB PRO 81 -0.366 -5.941 16.946 602 HB3 PRO 81 2HB PRO 81 1.392 -5.798 16.711 603 HG2 PRO 81 1HG PRO 81 -0.694 -3.677 16.724 604 HG3 PRO 81 2HG PRO 81 0.993 -3.676 17.315 605 HD2 PRO 81 1HD PRO 81 0.120 -2.594 14.895 606 HD3 PRO 81 2HD PRO 81 1.801 -2.995 15.323 607 H ARG 82 H ARG 82 -0.362 -6.566 13.011 608 HA ARG 82 HA ARG 82 -3.293 -6.543 13.377 609 HE ARG 82 HE ARG 82 1.171 -6.762 9.974 610 HB2 ARG 82 1HB ARG 82 -3.217 -7.163 10.774 611 HB3 ARG 82 2HB ARG 82 -3.016 -5.497 11.330 612 HG2 ARG 82 1HG ARG 82 -1.405 -6.007 9.591 613 HG3 ARG 82 2HG ARG 82 -0.547 -5.799 11.120 614 HD2 ARG 82 1HD ARG 82 -0.818 -8.372 11.272 615 HD3 ARG 82 2HD ARG 82 -1.042 -8.225 9.530 616 HH11 ARG 82 1HH1 ARG 82 0.254 -10.081 10.783 617 HH12 ARG 82 2HH1 ARG 82 1.863 -10.643 10.871 618 HH21 ARG 82 1HH2 ARG 82 3.369 -7.527 10.112 619 HH22 ARG 82 2HH2 ARG 82 3.657 -9.181 10.463 620 H SER 83 H SER 83 -4.588 -8.433 12.621 621 HA SER 83 HA SER 83 -3.601 -10.714 13.981 622 HG SER 83 HG SER 83 -5.666 -12.301 14.324 623 HB2 SER 83 1HB SER 83 -5.971 -10.125 14.096 624 HB3 SER 83 2HB SER 83 -6.131 -10.325 12.356 625 H GLU 84 H GLU 84 -4.721 -10.409 10.618 626 HA GLU 84 HA GLU 84 -3.342 -12.873 9.870 627 HB2 GLU 84 1HB GLU 84 -4.523 -10.863 7.980 628 HB3 GLU 84 2HB GLU 84 -4.276 -12.592 7.708 629 HG2 GLU 84 1HG GLU 84 -6.567 -12.342 7.879 630 HG3 GLU 84 2HG GLU 84 -6.111 -12.872 9.495 631 HA PRO 85 HA PRO 85 0.204 -10.685 8.499 632 HB2 PRO 85 1HB PRO 85 1.164 -12.069 6.461 633 HB3 PRO 85 2HB PRO 85 1.111 -12.759 8.103 634 HG2 PRO 85 1HG PRO 85 -0.835 -13.093 5.855 635 HG3 PRO 85 2HG PRO 85 -0.008 -14.359 6.781 636 HD2 PRO 85 1HD PRO 85 -2.531 -13.520 7.384 637 HD3 PRO 85 2HD PRO 85 -1.405 -13.986 8.681 638 H HIS 86 H HIS 86 -0.600 -8.961 7.886 639 HA HIS 86 HA HIS 86 -1.644 -8.426 5.219 640 HD2 HIS 86 HD2 HIS 86 -3.076 -8.845 8.178 641 HE1 HIS 86 HE1 HIS 86 -5.923 -5.891 7.191 642 HE2 HIS 86 HE2 HIS 86 -5.539 -8.106 8.398 643 HB2 HIS 86 1HB HIS 86 -0.909 -6.625 7.529 644 HB3 HIS 86 2HB HIS 86 -1.430 -5.992 5.961 645 H CYS 87 H CYS 87 0.505 -9.668 4.801 646 HA CYS 87 HA CYS 87 2.748 -7.864 4.886 647 HG CYS 87 HG CYS 87 1.169 -11.251 3.890 648 HB2 CYS 87 1HB CYS 87 4.097 -9.904 4.214 649 HB3 CYS 87 2HB CYS 87 3.362 -9.812 5.819 650 H LEU 88 H LEU 88 0.520 -8.190 2.744 651 HA LEU 88 HA LEU 88 2.197 -8.404 0.315 652 HG LEU 88 HG LEU 88 0.632 -11.009 1.483 653 HB2 LEU 88 1HB LEU 88 -0.553 -9.361 0.884 654 HB3 LEU 88 2HB LEU 88 -0.010 -9.294 -0.762 655 HD11 LEU 88 1HD1 LEU 88 -0.911 -11.841 -0.250 656 HD12 LEU 88 2HD1 LEU 88 0.634 -12.760 -0.233 657 HD13 LEU 88 3HD1 LEU 88 0.373 -11.527 -1.453 658 HD21 LEU 88 3HD2 LEU 88 2.631 -11.942 0.321 659 HD22 LEU 88 1HD2 LEU 88 2.786 -10.306 0.979 660 HD23 LEU 88 2HD2 LEU 88 2.525 -10.527 -0.747 661 H VAL 89 H VAL 89 2.474 -6.939 -0.771 662 HA VAL 89 HA VAL 89 0.341 -4.957 -0.932 663 HB VAL 89 HB VAL 89 1.958 -3.132 -0.873 664 HG11 VAL 89 1HG1 VAL 89 2.021 -4.844 1.585 665 HG12 VAL 89 2HG1 VAL 89 0.842 -3.566 1.207 666 HG13 VAL 89 3HG1 VAL 89 2.535 -3.162 1.528 667 HG21 VAL 89 3HG2 VAL 89 3.967 -5.206 -0.046 668 HG22 VAL 89 1HG2 VAL 89 4.250 -3.458 -0.093 669 HG23 VAL 89 2HG2 VAL 89 3.898 -4.351 -1.586 670 H LEU 90 H LEU 90 0.194 -4.055 -2.925 671 HA LEU 90 HA LEU 90 2.177 -4.954 -4.856 672 HG LEU 90 HG LEU 90 -1.002 -3.168 -4.745 673 HB2 LEU 90 1HB LEU 90 0.534 -4.864 -6.560 674 HB3 LEU 90 2HB LEU 90 -0.256 -5.611 -5.182 675 HD11 LEU 90 1HD1 LEU 90 0.190 -2.181 -6.589 676 HD12 LEU 90 2HD1 LEU 90 -1.549 -2.037 -6.922 677 HD13 LEU 90 3HD1 LEU 90 -0.573 -3.301 -7.700 678 HD21 LEU 90 3HD2 LEU 90 -2.293 -4.993 -6.769 679 HD22 LEU 90 1HD2 LEU 90 -3.094 -3.625 -5.995 680 HD23 LEU 90 2HD2 LEU 90 -2.549 -4.979 -5.018 681 H SER 91 H SER 91 2.905 -3.380 -6.399 682 HA SER 91 HA SER 91 3.141 -0.740 -5.229 683 HG SER 91 HG SER 91 3.419 -1.961 -8.234 684 HB2 SER 91 1HB SER 91 5.005 -0.531 -6.706 685 HB3 SER 91 2HB SER 91 4.995 -2.232 -6.197 686 H LEU 92 H LEU 92 2.094 1.000 -6.059 687 HA LEU 92 HA LEU 92 0.440 0.753 -8.448 688 HG LEU 92 HG LEU 92 -0.619 0.916 -5.814 689 HB2 LEU 92 1HB LEU 92 0.921 2.907 -6.411 690 HB3 LEU 92 2HB LEU 92 -0.131 3.125 -7.810 691 HD11 LEU 92 1HD1 LEU 92 -2.172 2.390 -4.741 692 HD12 LEU 92 2HD1 LEU 92 -1.739 3.688 -5.850 693 HD13 LEU 92 3HD1 LEU 92 -0.556 3.095 -4.675 694 HD21 LEU 92 3HD2 LEU 92 -1.712 0.926 -8.060 695 HD22 LEU 92 1HD2 LEU 92 -2.391 2.490 -7.586 696 HD23 LEU 92 2HD2 LEU 92 -2.815 1.026 -6.669 697 H ASP 93 H ASP 93 3.410 0.796 -8.264 698 HA ASP 93 HA ASP 93 4.058 3.153 -9.872 699 HB2 ASP 93 1HB ASP 93 5.815 1.358 -8.195 700 HB3 ASP 93 2HB ASP 93 6.412 2.672 -9.219 701 H ASN 94 H ASN 94 5.208 -0.197 -9.506 702 HA ASN 94 HA ASN 94 5.622 -0.225 -12.435 703 HB2 ASN 94 1HB ASN 94 7.716 -0.568 -11.119 704 HB3 ASN 94 2HB ASN 94 6.956 -1.938 -10.295 705 HD21 ASN 94 1HD2 ASN 94 6.995 -3.897 -11.316 706 HD22 ASN 94 2HD2 ASN 94 7.816 -4.112 -12.835 707 H TRP 95 H TRP 95 3.603 -1.146 -10.129 708 HA TRP 95 HA TRP 95 2.108 -2.717 -9.718 709 HD1 TRP 95 HD1 TRP 95 1.920 -0.526 -13.239 710 HE1 TRP 95 HE1 TRP 95 0.056 1.167 -12.801 711 HE3 TRP 95 HE3 TRP 95 -0.883 -3.244 -9.955 712 HZ2 TRP 95 HZ2 TRP 95 -2.300 1.351 -11.244 713 HZ3 TRP 95 HZ3 TRP 95 -2.927 -2.234 -9.036 714 HH2 TRP 95 HH2 TRP 95 -3.619 0.015 -9.671 715 HB2 TRP 95 1HB TRP 95 2.181 -3.095 -12.722 716 HB3 TRP 95 2HB TRP 95 0.980 -3.846 -11.670 717 H SER 96 H SER 96 4.218 -3.529 -8.735 718 HA SER 96 HA SER 96 4.465 -6.307 -9.557 719 HG SER 96 HG SER 96 7.656 -4.668 -9.445 720 HB2 SER 96 1HB SER 96 6.176 -4.760 -7.659 721 HB3 SER 96 2HB SER 96 6.503 -6.323 -8.399 722 H VAL 97 H VAL 97 4.797 -7.655 -7.577 723 HA VAL 97 HA VAL 97 3.138 -6.667 -5.400 724 HB VAL 97 HB VAL 97 3.364 -9.415 -6.638 725 HG11 VAL 97 1HG1 VAL 97 2.068 -10.233 -4.813 726 HG12 VAL 97 2HG1 VAL 97 2.197 -8.622 -4.024 727 HG13 VAL 97 3HG1 VAL 97 3.658 -9.613 -4.295 728 HG21 VAL 97 3HG2 VAL 97 1.659 -7.849 -7.432 729 HG22 VAL 97 1HG2 VAL 97 1.001 -7.815 -5.786 730 HG23 VAL 97 2HG2 VAL 97 1.082 -9.349 -6.688 731 H TRP 98 H TRP 98 3.945 -6.986 -3.375 732 HA TRP 98 HA TRP 98 6.613 -8.146 -3.243 733 HD1 TRP 98 HD1 TRP 98 7.166 -6.573 0.530 734 HE1 TRP 98 HE1 TRP 98 9.655 -7.094 0.880 735 HE3 TRP 98 HE3 TRP 98 8.700 -6.467 -4.338 736 HZ2 TRP 98 HZ2 TRP 98 11.917 -7.422 -0.679 737 HZ3 TRP 98 HZ3 TRP 98 11.027 -6.887 -4.844 738 HH2 TRP 98 HH2 TRP 98 12.657 -7.350 -3.053 739 HB2 TRP 98 1HB TRP 98 6.544 -5.524 -3.020 740 HB3 TRP 98 2HB TRP 98 5.745 -5.874 -1.491 741 H CYS 99 H CYS 99 6.917 -9.647 -1.611 742 HA CYS 99 HA CYS 99 4.758 -9.744 0.314 743 HB2 CYS 99 1HB CYS 99 4.570 -11.749 -0.906 744 HB3 CYS 99 2HB CYS 99 6.307 -12.068 -0.961 745 H TYR 100 H TYR 100 5.450 -9.013 2.135 746 HA TYR 100 HA TYR 100 8.190 -8.384 2.520 747 HD1 TYR 100 HD1 TYR 100 8.258 -5.873 3.238 748 HD2 TYR 100 HD2 TYR 100 4.311 -7.181 3.992 749 HE1 TYR 100 HE1 TYR 100 7.429 -3.650 2.595 750 HE2 TYR 100 HE2 TYR 100 3.438 -4.951 3.333 751 HH TYR 100 HH TYR 100 4.229 -2.705 3.206 752 HB2 TYR 100 1HB TYR 100 5.985 -8.515 4.557 753 HB3 TYR 100 2HB TYR 100 7.596 -7.855 4.826 754 H VAL 101 H VAL 101 6.298 -11.081 3.487 755 HA VAL 101 HA VAL 101 8.289 -11.908 5.400 756 HB VAL 101 HB VAL 101 5.959 -12.245 5.956 757 HG11 VAL 101 1HG1 VAL 101 4.595 -13.904 4.726 758 HG12 VAL 101 2HG1 VAL 101 5.932 -13.943 3.536 759 HG13 VAL 101 3HG1 VAL 101 5.068 -12.458 3.813 760 HG21 VAL 101 3HG2 VAL 101 5.959 -14.636 6.598 761 HG22 VAL 101 1HG2 VAL 101 7.497 -13.845 6.955 762 HG23 VAL 101 2HG2 VAL 101 7.355 -14.891 5.548 763 H CYS 102 H CYS 102 7.623 -12.572 2.043 764 HA CYS 102 HA CYS 102 9.445 -14.852 2.055 765 HB2 CYS 102 1HB CYS 102 7.873 -13.447 -0.102 766 HB3 CYS 102 2HB CYS 102 9.188 -14.547 -0.495 767 H ASP 103 H ASP 103 9.171 -11.510 1.552 768 HA ASP 103 HA ASP 103 10.503 -9.818 1.256 769 HB2 ASP 103 1HB ASP 103 11.663 -10.758 3.187 770 HB3 ASP 103 2HB ASP 103 12.716 -11.700 2.126 771 H ASN 104 H ASN 104 9.705 -10.793 -1.024 772 HA ASN 104 HA ASN 104 11.833 -10.147 -2.731 773 HB2 ASN 104 1HB ASN 104 11.745 -12.138 -4.042 774 HB3 ASN 104 2HB ASN 104 11.958 -12.633 -2.339 775 HD21 ASN 104 1HD2 ASN 104 9.804 -12.411 -4.937 776 HD22 ASN 104 2HD2 ASN 104 8.463 -13.205 -4.206 777 H GLU 105 H GLU 105 10.682 -10.382 -5.040 778 HA GLU 105 HA GLU 105 8.192 -8.976 -4.919 779 HB2 GLU 105 1HB GLU 105 10.110 -8.387 -6.225 780 HB3 GLU 105 2HB GLU 105 9.832 -9.791 -7.259 781 HG2 GLU 105 1HG GLU 105 7.598 -9.065 -7.686 782 HG3 GLU 105 2HG GLU 105 7.895 -7.607 -6.739 783 H VAL 106 H VAL 106 6.274 -9.972 -5.661 784 HA VAL 106 HA VAL 106 6.478 -12.814 -6.312 785 HB VAL 106 HB VAL 106 3.888 -11.369 -5.677 786 HG11 VAL 106 1HG1 VAL 106 3.703 -13.584 -6.721 787 HG12 VAL 106 2HG1 VAL 106 3.145 -13.624 -5.048 788 HG13 VAL 106 3HG1 VAL 106 4.729 -14.273 -5.463 789 HG21 VAL 106 3HG2 VAL 106 4.193 -12.081 -3.348 790 HG22 VAL 106 1HG2 VAL 106 5.484 -10.995 -3.889 791 HG23 VAL 106 2HG2 VAL 106 5.793 -12.725 -3.774 792 H GLN 107 H GLN 107 5.640 -13.682 -8.211 793 HA GLN 107 HA GLN 107 4.985 -11.760 -10.233 794 HB2 GLN 107 1HB GLN 107 6.014 -14.583 -10.603 795 HB3 GLN 107 2HB GLN 107 5.858 -13.326 -11.826 796 HG2 GLN 107 1HG GLN 107 7.898 -13.508 -9.615 797 HG3 GLN 107 2HG GLN 107 8.179 -13.665 -11.342 798 HE21 GLN 107 1HE2 GLN 107 7.795 -11.564 -8.705 799 HE22 GLN 107 2HE2 GLN 107 8.127 -10.065 -9.515 800 H TYR 108 H TYR 108 3.327 -12.293 -11.316 801 HA TYR 108 HA TYR 108 1.521 -14.510 -10.577 802 HD1 TYR 108 HD1 TYR 108 -0.459 -11.036 -11.856 803 HD2 TYR 108 HD2 TYR 108 2.260 -11.014 -8.622 804 HE1 TYR 108 HE1 TYR 108 -0.110 -8.647 -12.193 805 HE2 TYR 108 HE2 TYR 108 2.641 -8.689 -8.874 806 HH TYR 108 HH TYR 108 2.400 -6.892 -10.700 807 HB2 TYR 108 1HB TYR 108 -0.348 -12.877 -10.266 808 HB3 TYR 108 2HB TYR 108 0.885 -12.885 -8.994 809 H CYS 109 H CYS 109 -0.393 -14.563 -11.870 810 HA CYS 109 HA CYS 109 -0.523 -13.050 -14.307 811 HG CYS 109 HG CYS 109 -0.104 -14.354 -17.134 812 HB2 CYS 109 1HB CYS 109 0.937 -15.048 -14.825 813 HB3 CYS 109 2HB CYS 109 -0.367 -16.095 -14.247 814 H SER 110 H SER 110 -2.737 -13.812 -15.338 815 HA SER 110 HA SER 110 -4.804 -13.547 -13.475 816 HG SER 110 HG SER 110 -4.696 -12.125 -15.476 817 HB2 SER 110 1HB SER 110 -5.029 -14.852 -16.171 818 HB3 SER 110 2HB SER 110 -6.267 -13.932 -15.314 819 H SER 111 H SER 111 -3.034 -16.327 -14.431 820 HA SER 111 HA SER 111 -4.912 -18.351 -13.886 821 HG SER 111 HG SER 111 -2.085 -18.801 -16.072 822 HB2 SER 111 1HB SER 111 -1.899 -18.468 -13.888 823 HB3 SER 111 2HB SER 111 -3.017 -19.820 -14.150 824 H ASN 112 H ASN 112 -3.289 -16.253 -11.815 825 HA ASN 112 HA ASN 112 -3.709 -18.062 -9.542 826 HB2 ASN 112 1HB ASN 112 -1.294 -17.681 -9.979 827 HB3 ASN 112 2HB ASN 112 -1.568 -15.935 -9.841 828 HD21 ASN 112 1HD2 ASN 112 -1.175 -18.916 -8.195 829 HD22 ASN 112 2HD2 ASN 112 -1.146 -18.252 -6.587 830 H GLN 113 H GLN 113 -4.529 -17.007 -7.704 831 HA GLN 113 HA GLN 113 -6.522 -15.087 -8.078 832 HB2 GLN 113 1HB GLN 113 -6.536 -16.587 -6.184 833 HB3 GLN 113 2HB GLN 113 -5.036 -15.884 -5.572 834 HG2 GLN 113 1HG GLN 113 -6.240 -13.725 -5.298 835 HG3 GLN 113 2HG GLN 113 -7.735 -14.569 -5.723 836 HE21 GLN 113 1HE2 GLN 113 -5.246 -14.173 -3.380 837 HE22 GLN 113 2HE2 GLN 113 -6.087 -14.877 -2.048 838 H LEU 114 H LEU 114 -3.080 -14.622 -7.189 839 HA LEU 114 HA LEU 114 -3.278 -11.979 -6.251 840 HG LEU 114 HG LEU 114 -0.443 -11.234 -7.431 841 HB2 LEU 114 1HB LEU 114 -1.458 -13.533 -5.805 842 HB3 LEU 114 2HB LEU 114 -1.078 -13.572 -7.526 843 HD11 LEU 114 1HD1 LEU 114 -1.941 -10.506 -5.669 844 HD12 LEU 114 2HD1 LEU 114 -0.272 -10.105 -5.253 845 HD13 LEU 114 3HD1 LEU 114 -1.069 -11.486 -4.491 846 HD21 LEU 114 3HD2 LEU 114 0.856 -12.825 -5.251 847 HD22 LEU 114 1HD2 LEU 114 1.578 -11.526 -6.190 848 HD23 LEU 114 2HD2 LEU 114 1.163 -13.054 -6.970 849 H GLY 115 H GLY 115 -2.779 -13.388 -9.407 850 HA2 GLY 115 1HA GLY 115 -2.219 -10.846 -10.636 851 HA3 GLY 115 2HA GLY 115 -2.603 -12.332 -11.517 852 H GLN 116 H GLN 116 -5.156 -12.893 -10.199 853 HA GLN 116 HA GLN 116 -6.905 -11.480 -11.710 854 HB2 GLN 116 1HB GLN 116 -7.341 -12.830 -9.051 855 HB3 GLN 116 2HB GLN 116 -8.568 -12.548 -10.286 856 HG2 GLN 116 1HG GLN 116 -7.285 -13.944 -11.771 857 HG3 GLN 116 2HG GLN 116 -6.218 -14.391 -10.455 858 HE21 GLN 116 1HE2 GLN 116 -6.766 -16.444 -10.396 859 HE22 GLN 116 2HE2 GLN 116 -8.293 -17.077 -9.864 860 H VAL 117 H VAL 117 -5.741 -10.948 -8.430 861 HA VAL 117 HA VAL 117 -7.748 -9.020 -8.111 862 HB VAL 117 HB VAL 117 -5.812 -10.130 -6.150 863 HG11 VAL 117 1HG1 VAL 117 -7.239 -7.492 -5.678 864 HG12 VAL 117 2HG1 VAL 117 -5.513 -7.654 -5.969 865 HG13 VAL 117 3HG1 VAL 117 -6.226 -8.366 -4.508 866 HG21 VAL 117 3HG2 VAL 117 -7.924 -11.046 -6.293 867 HG22 VAL 117 1HG2 VAL 117 -8.689 -9.440 -6.313 868 HG23 VAL 117 2HG2 VAL 117 -7.940 -9.981 -4.840 869 H VAL 118 H VAL 118 -4.193 -8.944 -8.426 870 HA VAL 118 HA VAL 118 -3.867 -6.210 -8.432 871 HB VAL 118 HB VAL 118 -2.492 -8.264 -10.163 872 HG11 VAL 118 1HG1 VAL 118 -0.677 -6.581 -10.427 873 HG12 VAL 118 2HG1 VAL 118 -1.647 -5.412 -9.533 874 HG13 VAL 118 3HG1 VAL 118 -2.198 -5.995 -11.102 875 HG21 VAL 118 3HG2 VAL 118 -2.185 -8.638 -7.776 876 HG22 VAL 118 1HG2 VAL 118 -1.658 -6.961 -7.587 877 HG23 VAL 118 2HG2 VAL 118 -0.678 -8.087 -8.526 878 H ASP 119 H ASP 119 -5.161 -8.277 -10.947 879 HA ASP 119 HA ASP 119 -5.204 -6.304 -13.021 880 HB2 ASP 119 1HB ASP 119 -5.477 -8.687 -13.567 881 HB3 ASP 119 2HB ASP 119 -6.874 -8.771 -12.498 882 H TYR 120 H TYR 120 -7.400 -7.429 -10.599 883 HA TYR 120 HA TYR 120 -9.645 -5.877 -11.305 884 HD1 TYR 120 HD2 TYR 120 -12.049 -5.769 -9.744 885 HD2 TYR 120 HD1 TYR 120 -9.099 -6.477 -6.780 886 HE1 TYR 120 HE2 TYR 120 -13.398 -4.576 -8.096 887 HE2 TYR 120 HE1 TYR 120 -10.413 -5.338 -5.155 888 HH TYR 120 HH TYR 120 -12.191 -3.521 -5.169 889 HB2 TYR 120 1HB TYR 120 -10.205 -7.659 -9.862 890 HB3 TYR 120 2HB TYR 120 -8.798 -7.367 -8.833 891 H VAL 121 H VAL 121 -7.080 -5.326 -8.956 892 HA VAL 121 HA VAL 121 -8.178 -2.903 -8.043 893 HB VAL 121 HB VAL 121 -5.392 -4.082 -7.780 894 HG11 VAL 121 1HG1 VAL 121 -5.059 -2.558 -5.921 895 HG12 VAL 121 2HG1 VAL 121 -6.628 -1.817 -6.265 896 HG13 VAL 121 3HG1 VAL 121 -5.315 -1.687 -7.437 897 HG21 VAL 121 3HG2 VAL 121 -7.751 -4.100 -5.931 898 HG22 VAL 121 1HG2 VAL 121 -6.131 -4.659 -5.490 899 HG23 VAL 121 2HG2 VAL 121 -7.042 -5.468 -6.770 900 H ARG 122 H ARG 122 -6.000 -3.789 -10.575 901 HA ARG 122 HA ARG 122 -5.051 -1.174 -11.080 902 HE ARG 122 HE ARG 122 -3.848 -4.165 -14.612 903 HB2 ARG 122 1HB ARG 122 -3.941 -3.305 -11.743 904 HB3 ARG 122 2HB ARG 122 -5.207 -3.508 -12.957 905 HG2 ARG 122 1HG ARG 122 -4.422 -1.748 -14.236 906 HG3 ARG 122 2HG ARG 122 -3.550 -1.062 -12.848 907 HD2 ARG 122 1HD ARG 122 -1.995 -2.185 -14.461 908 HD3 ARG 122 2HD ARG 122 -2.027 -2.929 -12.854 909 HH11 ARG 122 1HH1 ARG 122 -0.414 -4.009 -13.808 910 HH12 ARG 122 2HH1 ARG 122 -0.086 -5.621 -14.226 911 HH21 ARG 122 1HH2 ARG 122 -3.440 -6.343 -15.169 912 HH22 ARG 122 2HH2 ARG 122 -1.869 -7.009 -15.047 913 H LYS 123 H LYS 123 -7.890 -3.066 -12.166 914 HA LYS 123 HA LYS 123 -8.784 -1.150 -14.011 915 HB2 LYS 123 1HB LYS 123 -10.225 -3.231 -12.367 916 HB3 LYS 123 2HB LYS 123 -10.918 -2.373 -13.729 917 HG2 LYS 123 1HG LYS 123 -8.420 -3.856 -14.251 918 HG3 LYS 123 2HG LYS 123 -9.848 -4.830 -13.878 919 HD2 LYS 123 1HD LYS 123 -9.620 -4.545 -16.270 920 HD3 LYS 123 2HD LYS 123 -11.050 -3.709 -15.665 921 HE2 LYS 123 1HE LYS 123 -9.890 -1.583 -15.798 922 HE3 LYS 123 2HE LYS 123 -8.409 -2.395 -16.310 923 HZ1 LYS 123 3HZ LYS 123 -9.630 -1.458 -18.181 924 HZ2 LYS 123 1HZ LYS 123 -10.971 -2.402 -17.795 925 HZ3 LYS 123 2HZ LYS 123 -9.542 -3.137 -18.293 926 H GLN 124 H GLN 124 -8.803 -1.444 -10.581 927 HA GLN 124 HA GLN 124 -11.070 0.249 -10.180 928 HB2 GLN 124 1HB GLN 124 -8.975 -0.446 -8.134 929 HB3 GLN 124 2HB GLN 124 -10.408 0.518 -7.788 930 HG2 GLN 124 1HG GLN 124 -10.101 -2.404 -8.015 931 HG3 GLN 124 2HG GLN 124 -11.209 -1.346 -7.123 932 HE21 GLN 124 1HE2 GLN 124 -10.616 -2.968 -10.000 933 HE22 GLN 124 2HE2 GLN 124 -12.198 -2.999 -10.617 934 H ALA 125 H ALA 125 -7.642 0.586 -9.635 935 HA ALA 125 HA ALA 125 -7.619 3.357 -9.026 936 HB1 ALA 125 3HB ALA 125 -5.391 1.536 -9.942 937 HB2 ALA 125 1HB ALA 125 -5.968 1.735 -8.280 938 HB3 ALA 125 2HB ALA 125 -5.239 3.103 -9.122 939 H SER 126 H SER 126 -6.800 1.475 -11.823 940 HA SER 126 HA SER 126 -6.040 2.110 -13.871 941 HG SER 126 HG SER 126 -8.813 3.507 -12.713 942 HB2 SER 126 1HB SER 126 -8.067 3.075 -15.182 943 HB3 SER 126 2HB SER 126 -8.229 1.508 -14.379 Start of MODEL 18 1 HA PRO 5 HA PRO 5 10.029 -21.298 -3.821 2 HB2 PRO 5 1HB PRO 5 10.552 -18.677 -3.424 3 HB3 PRO 5 2HB PRO 5 11.773 -19.924 -3.079 4 HG2 PRO 5 1HG PRO 5 11.473 -18.225 -5.550 5 HG3 PRO 5 2HG PRO 5 12.965 -18.577 -4.619 6 HD2 PRO 5 1HD PRO 5 12.182 -19.756 -6.888 7 HD3 PRO 5 2HD PRO 5 13.121 -20.644 -5.637 8 H VAL 6 H VAL 6 8.107 -20.188 -3.359 9 HA VAL 6 HA VAL 6 6.904 -18.477 -5.350 10 HB VAL 6 HB VAL 6 6.462 -20.868 -6.061 11 HG11 VAL 6 1HG1 VAL 6 4.853 -21.017 -3.531 12 HG12 VAL 6 2HG1 VAL 6 6.287 -21.963 -3.938 13 HG13 VAL 6 3HG1 VAL 6 4.793 -22.191 -4.843 14 HG21 VAL 6 3HG2 VAL 6 4.989 -19.119 -6.799 15 HG22 VAL 6 1HG2 VAL 6 4.059 -19.240 -5.303 16 HG23 VAL 6 2HG2 VAL 6 4.053 -20.580 -6.456 17 H CYS 7 H CYS 7 4.852 -17.550 -4.443 18 HA CYS 7 HA CYS 7 5.150 -17.455 -1.596 19 HB2 CYS 7 1HB CYS 7 5.054 -15.309 -2.740 20 HB3 CYS 7 2HB CYS 7 3.464 -15.729 -3.400 21 H ARG 8 H ARG 8 3.972 -18.633 -0.406 22 HA ARG 8 HA ARG 8 1.437 -19.780 -1.385 23 HE ARG 8 HE ARG 8 0.303 -23.290 -2.349 24 HB2 ARG 8 1HB ARG 8 3.708 -20.881 -0.107 25 HB3 ARG 8 2HB ARG 8 2.349 -20.982 1.022 26 HG2 ARG 8 1HG ARG 8 2.296 -21.969 -1.825 27 HG3 ARG 8 2HG ARG 8 2.585 -22.988 -0.413 28 HD2 ARG 8 1HD ARG 8 0.392 -22.458 0.460 29 HD3 ARG 8 2HD ARG 8 0.113 -21.310 -0.836 30 HH11 ARG 8 1HH1 ARG 8 -0.674 -23.818 1.002 31 HH12 ARG 8 2HH1 ARG 8 -1.895 -24.932 0.656 32 HH21 ARG 8 1HH2 ARG 8 -1.371 -24.882 -2.869 33 HH22 ARG 8 2HH2 ARG 8 -2.308 -25.563 -1.629 34 H HIS 9 H HIS 9 1.874 -17.105 -0.300 35 HA HIS 9 HA HIS 9 0.305 -17.206 2.240 36 HD2 HIS 9 HD2 HIS 9 2.254 -17.558 4.381 37 HE1 HIS 9 HE1 HIS 9 6.154 -16.792 2.938 38 HE2 HIS 9 HE2 HIS 9 4.797 -18.017 4.693 39 HB2 HIS 9 1HB HIS 9 2.211 -15.039 1.347 40 HB3 HIS 9 2HB HIS 9 1.320 -15.123 2.869 41 H ILE 10 H ILE 10 -0.231 -16.884 -0.890 42 HA ILE 10 HA ILE 10 -0.800 -14.250 -1.088 43 HB ILE 10 HB ILE 10 -1.967 -16.452 -2.820 44 HG12 ILE 10 1HG1 ILE 10 0.600 -14.945 -2.813 45 HG13 ILE 10 2HG1 ILE 10 0.368 -16.673 -2.667 46 HG21 ILE 10 1HG2 ILE 10 -3.064 -14.254 -3.106 47 HG22 ILE 10 2HG2 ILE 10 -2.173 -14.762 -4.531 48 HG23 ILE 10 3HG2 ILE 10 -1.488 -13.534 -3.459 49 HD11 ILE 10 3HD1 ILE 10 1.224 -16.169 -4.877 50 HD12 ILE 10 1HD1 ILE 10 -0.164 -15.112 -5.186 51 HD13 ILE 10 2HD1 ILE 10 -0.405 -16.848 -4.936 52 H ARG 11 H ARG 11 -2.709 -17.046 -0.708 53 HA ARG 11 HA ARG 11 -5.288 -15.907 -0.457 54 HE ARG 11 HE ARG 11 -7.396 -19.499 -0.157 55 HB2 ARG 11 1HB ARG 11 -4.182 -18.341 0.806 56 HB3 ARG 11 2HB ARG 11 -5.895 -17.948 0.856 57 HG2 ARG 11 1HG ARG 11 -5.996 -18.041 -1.597 58 HG3 ARG 11 2HG ARG 11 -4.271 -18.444 -1.639 59 HD2 ARG 11 1HD ARG 11 -5.693 -20.430 -1.895 60 HD3 ARG 11 2HD ARG 11 -4.690 -20.501 -0.445 61 HH11 ARG 11 1HH1 ARG 11 -5.231 -22.272 0.166 62 HH12 ARG 11 2HH1 ARG 11 -6.205 -23.113 1.278 63 HH21 ARG 11 1HH2 ARG 11 -8.771 -20.648 1.345 64 HH22 ARG 11 2HH2 ARG 11 -8.300 -22.147 1.968 65 H LYS 12 H LYS 12 -2.729 -16.099 1.809 66 HA LYS 12 HA LYS 12 -4.349 -15.361 4.097 67 HB2 LYS 12 1HB LYS 12 -1.356 -15.294 3.810 68 HB3 LYS 12 2HB LYS 12 -2.260 -15.165 5.300 69 HG2 LYS 12 1HG LYS 12 -3.033 -17.489 4.968 70 HG3 LYS 12 2HG LYS 12 -1.974 -17.584 3.542 71 HD2 LYS 12 1HD LYS 12 -0.069 -16.935 4.971 72 HD3 LYS 12 2HD LYS 12 -1.133 -16.985 6.373 73 HE2 LYS 12 1HE LYS 12 -1.574 -19.378 5.850 74 HE3 LYS 12 2HE LYS 12 -0.366 -19.259 4.572 75 HZ1 LYS 12 3HZ LYS 12 0.682 -20.125 6.558 76 HZ2 LYS 12 1HZ LYS 12 0.095 -18.838 7.466 77 HZ3 LYS 12 2HZ LYS 12 1.253 -18.554 6.311 78 H GLY 13 H GLY 13 -2.368 -13.863 1.722 79 HA2 GLY 13 1HA GLY 13 -2.204 -11.245 3.118 80 HA3 GLY 13 2HA GLY 13 -1.231 -11.832 1.798 81 H LEU 14 H LEU 14 -4.174 -12.676 0.908 82 HA LEU 14 HA LEU 14 -4.803 -10.084 -0.264 83 HG LEU 14 HG LEU 14 -4.968 -10.040 -2.797 84 HB2 LEU 14 1HB LEU 14 -3.500 -11.734 -1.707 85 HB3 LEU 14 2HB LEU 14 -4.913 -12.773 -1.599 86 HD11 LEU 14 1HD1 LEU 14 -3.353 -11.420 -3.946 87 HD12 LEU 14 2HD1 LEU 14 -4.797 -11.210 -4.950 88 HD13 LEU 14 3HD1 LEU 14 -4.532 -12.720 -4.066 89 HD21 LEU 14 3HD2 LEU 14 -6.804 -12.415 -2.903 90 HD22 LEU 14 1HD2 LEU 14 -6.843 -11.069 -4.038 91 HD23 LEU 14 2HD2 LEU 14 -7.162 -10.779 -2.318 92 H GLU 15 H GLU 15 -6.852 -9.617 0.297 93 HA GLU 15 HA GLU 15 -8.458 -11.886 1.037 94 HB2 GLU 15 1HB GLU 15 -7.563 -10.301 2.756 95 HB3 GLU 15 2HB GLU 15 -8.779 -9.147 2.235 96 HG2 GLU 15 1HG GLU 15 -9.006 -11.601 3.888 97 HG3 GLU 15 2HG GLU 15 -9.690 -10.014 3.968 98 H GLN 16 H GLN 16 -9.676 -11.823 -1.072 99 HA GLN 16 HA GLN 16 -10.010 -9.624 -2.632 100 HB2 GLN 16 1HB GLN 16 -11.916 -11.950 -2.706 101 HB3 GLN 16 2HB GLN 16 -11.597 -10.726 -3.941 102 HG2 GLN 16 1HG GLN 16 -9.292 -11.523 -4.152 103 HG3 GLN 16 2HG GLN 16 -9.642 -12.778 -2.957 104 HE21 GLN 16 1HE2 GLN 16 -10.238 -11.688 -6.212 105 HE22 GLN 16 2HE2 GLN 16 -10.897 -13.182 -6.791 106 H GLY 17 H GLY 17 -12.298 -10.826 -0.253 107 HA2 GLY 17 1HA GLY 17 -14.502 -9.161 -1.115 108 HA3 GLY 17 2HA GLY 17 -14.433 -10.099 0.384 109 H ASN 18 H ASN 18 -12.021 -8.962 1.282 110 HA ASN 18 HA ASN 18 -12.988 -6.755 2.790 111 HB2 ASN 18 1HB ASN 18 -11.342 -8.555 3.413 112 HB3 ASN 18 2HB ASN 18 -10.210 -7.777 2.328 113 HD21 ASN 18 1HD2 ASN 18 -8.794 -7.526 3.898 114 HD22 ASN 18 2HD2 ASN 18 -8.970 -6.442 5.239 115 H LEU 19 H LEU 19 -10.912 -7.295 0.065 116 HA LEU 19 HA LEU 19 -9.730 -4.804 -0.384 117 HG LEU 19 HG LEU 19 -8.264 -7.696 -2.159 118 HB2 LEU 19 1HB LEU 19 -10.397 -7.139 -2.103 119 HB3 LEU 19 2HB LEU 19 -9.813 -5.644 -2.826 120 HD11 LEU 19 1HD1 LEU 19 -7.575 -5.846 -3.434 121 HD12 LEU 19 2HD1 LEU 19 -6.412 -6.076 -2.089 122 HD13 LEU 19 3HD1 LEU 19 -7.633 -4.779 -2.014 123 HD21 LEU 19 3HD2 LEU 19 -6.995 -7.194 -0.175 124 HD22 LEU 19 1HD2 LEU 19 -8.686 -7.491 0.220 125 HD23 LEU 19 2HD2 LEU 19 -8.063 -5.832 0.192 126 H LYS 20 H LYS 20 -12.800 -6.173 -1.751 127 HA LYS 20 HA LYS 20 -13.380 -4.067 -3.554 128 HB2 LYS 20 1HB LYS 20 -15.410 -5.587 -1.932 129 HB3 LYS 20 2HB LYS 20 -15.551 -5.025 -3.586 130 HG2 LYS 20 1HG LYS 20 -13.812 -7.346 -2.705 131 HG3 LYS 20 2HG LYS 20 -15.450 -7.478 -3.361 132 HD2 LYS 20 1HD LYS 20 -13.161 -6.221 -4.778 133 HD3 LYS 20 2HD LYS 20 -13.566 -7.944 -4.902 134 HE2 LYS 20 1HE LYS 20 -15.374 -5.634 -5.612 135 HE3 LYS 20 2HE LYS 20 -14.468 -6.667 -6.733 136 HZ1 LYS 20 3HZ LYS 20 -16.642 -7.605 -4.916 137 HZ2 LYS 20 1HZ LYS 20 -15.773 -8.557 -6.015 138 HZ3 LYS 20 2HZ LYS 20 -16.774 -7.329 -6.567 139 H LYS 21 H LYS 21 -13.889 -4.375 -0.138 140 HA LYS 21 HA LYS 21 -15.789 -2.216 0.020 141 HB2 LYS 21 1HB LYS 21 -14.120 -3.511 2.161 142 HB3 LYS 21 2HB LYS 21 -15.572 -2.548 2.399 143 HG2 LYS 21 1HG LYS 21 -16.960 -4.218 1.609 144 HG3 LYS 21 2HG LYS 21 -15.629 -5.056 0.791 145 HD2 LYS 21 1HD LYS 21 -16.258 -6.323 2.724 146 HD3 LYS 21 2HD LYS 21 -14.682 -5.578 2.972 147 HE2 LYS 21 1HE LYS 21 -17.196 -4.306 3.992 148 HE3 LYS 21 2HE LYS 21 -16.395 -5.558 4.934 149 HZ1 LYS 21 3HZ LYS 21 -15.719 -3.425 5.710 150 HZ2 LYS 21 1HZ LYS 21 -15.255 -2.886 4.185 151 HZ3 LYS 21 2HZ LYS 21 -14.402 -4.109 4.958 152 H ALA 22 H ALA 22 -12.321 -2.658 0.444 153 HA ALA 22 HA ALA 22 -11.924 -0.156 1.724 154 HB1 ALA 22 3HB ALA 22 -10.024 -2.090 0.425 155 HB2 ALA 22 1HB ALA 22 -10.476 -2.078 2.123 156 HB3 ALA 22 2HB ALA 22 -9.562 -0.729 1.447 157 H LEU 23 H LEU 23 -11.678 -1.443 -1.539 158 HA LEU 23 HA LEU 23 -10.327 0.875 -2.506 159 HG LEU 23 HG LEU 23 -10.417 -2.575 -2.895 160 HB2 LEU 23 1HB LEU 23 -11.669 -1.160 -4.231 161 HB3 LEU 23 2HB LEU 23 -10.278 -0.148 -4.614 162 HD11 LEU 23 1HD1 LEU 23 -8.707 -3.450 -4.333 163 HD12 LEU 23 2HD1 LEU 23 -8.812 -1.993 -5.328 164 HD13 LEU 23 3HD1 LEU 23 -10.208 -3.067 -5.173 165 HD21 LEU 23 3HD2 LEU 23 -8.994 -1.006 -1.679 166 HD22 LEU 23 1HD2 LEU 23 -7.960 -0.803 -3.105 167 HD23 LEU 23 2HD2 LEU 23 -8.086 -2.370 -2.268 168 H VAL 24 H VAL 24 -13.453 0.184 -1.804 169 HA VAL 24 HA VAL 24 -14.944 1.608 -3.741 170 HB VAL 24 HB VAL 24 -15.567 1.364 -0.770 171 HG11 VAL 24 1HG1 VAL 24 -17.357 2.301 -3.014 172 HG12 VAL 24 2HG1 VAL 24 -16.704 3.300 -1.712 173 HG13 VAL 24 3HG1 VAL 24 -17.854 2.010 -1.343 174 HG21 VAL 24 3HG2 VAL 24 -15.564 -0.751 -1.963 175 HG22 VAL 24 1HG2 VAL 24 -16.681 -0.085 -3.154 176 HG23 VAL 24 2HG2 VAL 24 -17.199 -0.292 -1.478 177 H ASN 25 H ASN 25 -13.826 2.821 -0.593 178 HA ASN 25 HA ASN 25 -14.261 5.554 -1.599 179 HB2 ASN 25 1HB ASN 25 -13.908 4.593 1.244 180 HB3 ASN 25 2HB ASN 25 -14.204 6.270 0.762 181 HD21 ASN 25 1HD2 ASN 25 -15.557 3.225 1.454 182 HD22 ASN 25 2HD2 ASN 25 -17.212 3.656 1.179 183 H VAL 26 H VAL 26 -11.884 3.619 -1.914 184 HA VAL 26 HA VAL 26 -9.840 4.862 -0.467 185 HB VAL 26 HB VAL 26 -10.180 2.475 -1.562 186 HG11 VAL 26 1HG1 VAL 26 -8.359 3.714 -3.507 187 HG12 VAL 26 2HG1 VAL 26 -10.031 3.170 -3.825 188 HG13 VAL 26 3HG1 VAL 26 -8.787 2.006 -3.353 189 HG21 VAL 26 3HG2 VAL 26 -7.591 3.790 -1.147 190 HG22 VAL 26 1HG2 VAL 26 -7.896 2.028 -1.206 191 HG23 VAL 26 2HG2 VAL 26 -8.683 3.010 0.063 192 H GLU 27 H GLU 27 -8.166 5.874 -1.341 193 HA GLU 27 HA GLU 27 -8.611 7.463 -3.714 194 HB2 GLU 27 1HB GLU 27 -6.536 8.614 -2.847 195 HB3 GLU 27 2HB GLU 27 -8.021 8.980 -1.988 196 HG2 GLU 27 1HG GLU 27 -5.850 7.066 -1.101 197 HG3 GLU 27 2HG GLU 27 -6.117 8.744 -0.577 198 H TRP 28 H TRP 28 -7.084 7.297 -5.215 199 HA TRP 28 HA TRP 28 -5.268 5.052 -4.867 200 HD1 TRP 28 HD1 TRP 28 -8.743 4.703 -7.062 201 HE1 TRP 28 HE1 TRP 28 -9.325 2.278 -6.404 202 HE3 TRP 28 HE3 TRP 28 -4.168 3.251 -5.666 203 HZ2 TRP 28 HZ2 TRP 28 -7.926 0.050 -5.486 204 HZ3 TRP 28 HZ3 TRP 28 -3.821 0.942 -4.866 205 HH2 TRP 28 HH2 TRP 28 -5.691 -0.616 -4.771 206 HB2 TRP 28 1HB TRP 28 -6.707 6.113 -7.132 207 HB3 TRP 28 2HB TRP 28 -5.270 5.150 -7.479 208 H ASN 29 H ASN 29 -3.347 5.003 -4.962 209 HA ASN 29 HA ASN 29 -1.206 5.506 -5.181 210 HB2 ASN 29 1HB ASN 29 -2.341 6.515 -7.430 211 HB3 ASN 29 2HB ASN 29 -1.500 7.930 -6.805 212 HD21 ASN 29 1HD2 ASN 29 0.619 6.153 -5.617 213 HD22 ASN 29 2HD2 ASN 29 1.592 5.702 -6.989 214 H ILE 30 H ILE 30 -3.131 6.743 -3.353 215 HA ILE 30 HA ILE 30 -1.424 8.890 -2.340 216 HB ILE 30 HB ILE 30 -4.393 8.478 -1.926 217 HG12 ILE 30 1HG1 ILE 30 -2.941 10.733 -3.330 218 HG13 ILE 30 2HG1 ILE 30 -4.022 9.545 -4.076 219 HG21 ILE 30 1HG2 ILE 30 -3.400 9.215 0.123 220 HG22 ILE 30 2HG2 ILE 30 -4.368 10.513 -0.563 221 HG23 ILE 30 3HG2 ILE 30 -2.605 10.570 -0.688 222 HD11 ILE 30 3HD1 ILE 30 -5.163 11.683 -3.788 223 HD12 ILE 30 1HD1 ILE 30 -4.765 11.649 -2.066 224 HD13 ILE 30 2HD1 ILE 30 -5.870 10.465 -2.704 225 H CYS 31 H CYS 31 -0.266 7.722 -0.916 226 HA CYS 31 HA CYS 31 -1.243 5.685 0.717 227 HB2 CYS 31 1HB CYS 31 1.075 5.912 0.836 228 HB3 CYS 31 2HB CYS 31 1.088 7.622 1.196 229 H GLN 32 H GLN 32 -2.997 5.821 1.639 230 HA GLN 32 HA GLN 32 -4.524 8.019 2.626 231 HB2 GLN 32 1HB GLN 32 -4.737 5.508 4.167 232 HB3 GLN 32 2HB GLN 32 -6.026 6.393 3.360 233 HG2 GLN 32 1HG GLN 32 -5.313 5.426 1.251 234 HG3 GLN 32 2HG GLN 32 -4.095 4.507 2.170 235 HE21 GLN 32 1HE2 GLN 32 -7.433 4.978 1.626 236 HE22 GLN 32 2HE2 GLN 32 -7.959 3.515 2.411 237 H ASP 33 H ASP 33 -2.132 6.002 4.051 238 HA ASP 33 HA ASP 33 -2.581 6.894 6.701 239 HB2 ASP 33 1HB ASP 33 -1.468 4.692 5.959 240 HB3 ASP 33 2HB ASP 33 0.003 5.660 5.776 241 H CYS 34 H CYS 34 -0.970 8.433 3.964 242 HA CYS 34 HA CYS 34 0.697 10.063 5.511 243 HB2 CYS 34 1HB CYS 34 -0.125 9.678 2.738 244 HB3 CYS 34 2HB CYS 34 0.348 11.302 3.182 245 H LYS 35 H LYS 35 -2.459 10.058 4.079 246 HA LYS 35 HA LYS 35 -2.755 12.896 4.237 247 HB2 LYS 35 1HB LYS 35 -4.908 12.627 3.410 248 HB3 LYS 35 2HB LYS 35 -3.851 11.550 2.473 249 HG2 LYS 35 1HG LYS 35 -4.801 9.705 3.713 250 HG3 LYS 35 2HG LYS 35 -5.732 10.860 4.688 251 HD2 LYS 35 1HD LYS 35 -6.613 11.699 2.453 252 HD3 LYS 35 2HD LYS 35 -5.989 10.162 1.830 253 HE2 LYS 35 1HE LYS 35 -7.312 8.910 3.229 254 HE3 LYS 35 2HE LYS 35 -7.785 10.318 4.213 255 HZ1 LYS 35 3HZ LYS 35 -9.638 9.735 2.817 256 HZ2 LYS 35 1HZ LYS 35 -8.619 9.538 1.490 257 HZ3 LYS 35 2HZ LYS 35 -8.938 11.093 2.080 258 H THR 36 H THR 36 -3.749 10.209 6.144 259 HA THR 36 HA THR 36 -5.208 11.972 7.852 260 HB THR 36 HB THR 36 -5.628 9.818 9.178 261 HG1 THR 36 HG1 THR 36 -4.033 8.500 8.409 262 HG21 THR 36 3HG2 THR 36 -7.283 10.823 7.636 263 HG22 THR 36 1HG2 THR 36 -7.358 9.059 7.621 264 HG23 THR 36 2HG2 THR 36 -6.564 9.911 6.305 265 H ASP 37 H ASP 37 -2.120 11.425 7.372 266 HA ASP 37 HA ASP 37 -1.428 10.990 10.164 267 HB2 ASP 37 1HB ASP 37 0.034 9.996 8.199 268 HB3 ASP 37 2HB ASP 37 0.673 11.642 8.145 269 H ASN 38 H ASN 38 -2.340 12.783 10.818 270 HA ASN 38 HA ASN 38 -0.767 15.222 10.237 271 HB2 ASN 38 1HB ASN 38 -3.332 15.062 10.188 272 HB3 ASN 38 2HB ASN 38 -3.166 15.157 11.951 273 HD21 ASN 38 1HD2 ASN 38 -4.180 17.209 12.017 274 HD22 ASN 38 2HD2 ASN 38 -3.339 18.643 11.511 275 H LYS 39 H LYS 39 -0.491 12.780 11.930 276 HA LYS 39 HA LYS 39 -0.223 13.720 14.671 277 HB2 LYS 39 1HB LYS 39 0.993 11.218 13.513 278 HB3 LYS 39 2HB LYS 39 0.603 11.522 15.204 279 HG2 LYS 39 1HG LYS 39 -1.298 10.399 14.866 280 HG3 LYS 39 2HG LYS 39 -1.782 11.760 13.827 281 HD2 LYS 39 1HD LYS 39 -2.005 9.737 12.538 282 HD3 LYS 39 2HD LYS 39 -0.633 10.698 11.960 283 HE2 LYS 39 1HE LYS 39 0.884 9.260 13.326 284 HE3 LYS 39 2HE LYS 39 -0.500 8.237 13.694 285 HZ1 LYS 39 3HZ LYS 39 0.735 8.719 11.038 286 HZ2 LYS 39 1HZ LYS 39 -0.709 7.852 11.252 287 HZ3 LYS 39 2HZ LYS 39 0.730 7.291 11.914 288 H VAL 40 H VAL 40 1.836 12.723 11.993 289 HA VAL 40 HA VAL 40 4.001 14.235 13.198 290 HB VAL 40 HB VAL 40 5.515 12.938 11.995 291 HG11 VAL 40 1HG1 VAL 40 3.504 11.078 13.210 292 HG12 VAL 40 2HG1 VAL 40 4.831 11.894 14.028 293 HG13 VAL 40 3HG1 VAL 40 5.169 10.642 12.832 294 HG21 VAL 40 3HG2 VAL 40 4.939 11.076 10.459 295 HG22 VAL 40 1HG2 VAL 40 4.398 12.647 9.869 296 HG23 VAL 40 2HG2 VAL 40 3.242 11.535 10.596 297 H LYS 41 H LYS 41 5.259 15.483 11.659 298 HA LYS 41 HA LYS 41 3.740 16.123 9.265 299 HB2 LYS 41 1HB LYS 41 5.068 18.011 11.090 300 HB3 LYS 41 2HB LYS 41 4.386 18.473 9.529 301 HG2 LYS 41 1HG LYS 41 2.135 17.740 10.342 302 HG3 LYS 41 2HG LYS 41 2.841 17.460 11.932 303 HD2 LYS 41 1HD LYS 41 1.674 19.619 11.806 304 HD3 LYS 41 2HD LYS 41 3.401 19.810 12.122 305 HE2 LYS 41 1HE LYS 41 3.818 20.423 9.854 306 HE3 LYS 41 2HE LYS 41 2.168 20.031 9.374 307 HZ1 LYS 41 3HZ LYS 41 1.382 21.855 10.680 308 HZ2 LYS 41 1HZ LYS 41 2.574 22.405 9.627 309 HZ3 LYS 41 2HZ LYS 41 2.917 22.183 11.268 310 H ASP 42 H ASP 42 4.957 15.111 8.113 311 HA ASP 42 HA ASP 42 7.710 16.117 7.554 312 HB2 ASP 42 1HB ASP 42 6.774 13.369 7.376 313 HB3 ASP 42 2HB ASP 42 8.397 13.857 6.888 314 H LYS 43 H LYS 43 4.734 15.788 6.502 315 HA LYS 43 HA LYS 43 4.942 14.480 3.957 316 HB2 LYS 43 1HB LYS 43 2.838 16.325 5.085 317 HB3 LYS 43 2HB LYS 43 2.664 15.317 3.647 318 HG2 LYS 43 1HG LYS 43 2.628 13.338 4.881 319 HG3 LYS 43 2HG LYS 43 3.225 14.132 6.343 320 HD2 LYS 43 1HD LYS 43 0.551 14.652 5.039 321 HD3 LYS 43 2HD LYS 43 0.810 13.612 6.444 322 HE2 LYS 43 1HE LYS 43 1.749 15.578 7.654 323 HE3 LYS 43 2HE LYS 43 1.328 16.585 6.275 324 HZ1 LYS 43 3HZ LYS 43 -1.003 15.959 6.622 325 HZ2 LYS 43 1HZ LYS 43 -0.317 16.737 7.972 326 HZ3 LYS 43 2HZ LYS 43 -0.513 15.053 7.974 327 H ALA 44 H ALA 44 5.471 17.536 5.231 328 HA ALA 44 HA ALA 44 5.551 18.781 2.531 329 HB1 ALA 44 3HB ALA 44 5.273 20.942 3.620 330 HB2 ALA 44 1HB ALA 44 5.215 20.142 5.191 331 HB3 ALA 44 2HB ALA 44 3.928 19.857 4.010 332 H GLU 45 H GLU 45 7.323 17.605 5.027 333 HA GLU 45 HA GLU 45 9.583 19.356 4.835 334 HB2 GLU 45 1HB GLU 45 8.993 16.777 6.273 335 HB3 GLU 45 2HB GLU 45 10.547 17.596 6.355 336 HG2 GLU 45 1HG GLU 45 9.089 17.997 8.333 337 HG3 GLU 45 2HG GLU 45 9.619 19.455 7.518 338 H GLU 46 H GLU 46 8.309 17.397 2.742 339 HA GLU 46 HA GLU 46 10.312 15.628 1.912 340 HB2 GLU 46 1HB GLU 46 7.761 15.787 1.488 341 HB3 GLU 46 2HB GLU 46 8.189 16.985 0.267 342 HG2 GLU 46 1HG GLU 46 9.199 14.202 0.353 343 HG3 GLU 46 2HG GLU 46 7.753 14.698 -0.537 344 H GLU 47 H GLU 47 12.245 16.331 1.149 345 HA GLU 47 HA GLU 47 12.650 19.127 0.594 346 HB2 GLU 47 1HB GLU 47 13.985 17.604 2.137 347 HB3 GLU 47 2HB GLU 47 14.698 16.944 0.667 348 HG2 GLU 47 1HG GLU 47 14.767 19.794 1.525 349 HG3 GLU 47 2HG GLU 47 16.061 18.631 1.828 350 H THR 48 H THR 48 13.970 16.216 -0.956 351 HA THR 48 HA THR 48 14.896 17.711 -3.191 352 HB THR 48 HB THR 48 14.936 14.721 -2.826 353 HG1 THR 48 HG1 THR 48 16.229 16.826 -1.462 354 HG21 THR 48 3HG2 THR 48 16.894 16.682 -4.077 355 HG22 THR 48 1HG2 THR 48 15.835 15.591 -4.969 356 HG23 THR 48 2HG2 THR 48 17.128 14.939 -3.956 357 H GLU 49 H GLU 49 11.859 16.548 -2.649 358 HA GLU 49 HA GLU 49 10.112 16.102 -3.802 359 HB2 GLU 49 1HB GLU 49 11.655 17.153 -6.150 360 HB3 GLU 49 2HB GLU 49 9.970 16.637 -6.272 361 HG2 GLU 49 1HG GLU 49 9.478 18.322 -4.451 362 HG3 GLU 49 2HG GLU 49 11.113 18.936 -4.701 363 H GLU 50 H GLU 50 10.875 14.151 -3.047 364 HA GLU 50 HA GLU 50 11.582 12.195 -5.072 365 HB2 GLU 50 1HB GLU 50 11.083 11.881 -2.107 366 HB3 GLU 50 2HB GLU 50 11.657 10.613 -3.181 367 HG2 GLU 50 1HG GLU 50 13.695 11.841 -3.593 368 HG3 GLU 50 2HG GLU 50 13.110 13.182 -2.616 369 H LYS 51 H LYS 51 10.210 10.524 -5.622 370 HA LYS 51 HA LYS 51 7.423 10.996 -5.070 371 HB2 LYS 51 1HB LYS 51 8.687 9.686 -7.499 372 HB3 LYS 51 2HB LYS 51 6.962 9.951 -7.236 373 HG2 LYS 51 1HG LYS 51 7.494 11.704 -8.676 374 HG3 LYS 51 2HG LYS 51 7.630 12.405 -7.054 375 HD2 LYS 51 1HD LYS 51 9.476 13.170 -8.416 376 HD3 LYS 51 2HD LYS 51 10.055 12.128 -7.121 377 HE2 LYS 51 1HE LYS 51 10.247 10.259 -8.697 378 HE3 LYS 51 2HE LYS 51 9.624 11.282 -9.989 379 HZ1 LYS 51 3HZ LYS 51 12.147 11.773 -8.492 380 HZ2 LYS 51 1HZ LYS 51 11.555 12.696 -9.764 381 HZ3 LYS 51 2HZ LYS 51 12.055 11.126 -10.041 382 HA PRO 52 HA PRO 52 8.576 7.147 -3.067 383 HB2 PRO 52 1HB PRO 52 6.735 7.244 -1.086 384 HB3 PRO 52 2HB PRO 52 8.118 8.370 -1.206 385 HG2 PRO 52 1HG PRO 52 5.329 8.838 -2.177 386 HG3 PRO 52 2HG PRO 52 6.252 9.783 -0.989 387 HD2 PRO 52 1HD PRO 52 6.267 10.479 -3.603 388 HD3 PRO 52 2HD PRO 52 7.716 10.597 -2.575 389 H SER 53 H SER 53 7.897 5.141 -3.515 390 HA SER 53 HA SER 53 5.790 4.796 -5.302 391 HG SER 53 HG SER 53 8.692 3.242 -3.600 392 HB2 SER 53 1HB SER 53 6.335 2.357 -4.798 393 HB3 SER 53 2HB SER 53 7.650 3.343 -5.472 394 H VAL 54 H VAL 54 3.871 3.783 -4.918 395 HA VAL 54 HA VAL 54 3.006 3.835 -2.096 396 HB VAL 54 HB VAL 54 1.281 4.465 -4.527 397 HG11 VAL 54 1HG1 VAL 54 0.603 4.656 -1.594 398 HG12 VAL 54 2HG1 VAL 54 0.140 3.316 -2.630 399 HG13 VAL 54 3HG1 VAL 54 -0.487 4.927 -2.964 400 HG21 VAL 54 3HG2 VAL 54 2.388 6.242 -2.348 401 HG22 VAL 54 1HG2 VAL 54 1.212 6.721 -3.585 402 HG23 VAL 54 2HG2 VAL 54 2.850 6.223 -4.037 403 H TRP 55 H TRP 55 2.629 2.139 -1.346 404 HA TRP 55 HA TRP 55 2.144 -0.194 -3.035 405 HD1 TRP 55 HD1 TRP 55 5.189 1.681 -1.204 406 HE1 TRP 55 HE1 TRP 55 7.343 1.277 -2.515 407 HE3 TRP 55 HE3 TRP 55 4.220 -3.020 -2.932 408 HZ2 TRP 55 HZ2 TRP 55 8.520 -0.772 -4.048 409 HZ3 TRP 55 HZ3 TRP 55 5.924 -4.141 -4.311 410 HH2 TRP 55 HH2 TRP 55 8.029 -3.038 -4.858 411 HB2 TRP 55 1HB TRP 55 3.339 -0.074 -0.251 412 HB3 TRP 55 2HB TRP 55 3.106 -1.543 -1.207 413 H LEU 56 H LEU 56 0.384 -1.129 -2.845 414 HA LEU 56 HA LEU 56 -1.484 -0.354 -0.719 415 HG LEU 56 HG LEU 56 -3.635 -1.839 -1.175 416 HB2 LEU 56 1HB LEU 56 -2.366 0.117 -2.842 417 HB3 LEU 56 2HB LEU 56 -2.106 -1.516 -3.444 418 HD11 LEU 56 1HD1 LEU 56 -5.569 -0.383 -1.455 419 HD12 LEU 56 2HD1 LEU 56 -4.640 0.579 -2.609 420 HD13 LEU 56 3HD1 LEU 56 -4.103 0.438 -0.932 421 HD21 LEU 56 3HD2 LEU 56 -4.331 -1.798 -4.075 422 HD22 LEU 56 1HD2 LEU 56 -5.462 -2.343 -2.804 423 HD23 LEU 56 2HD2 LEU 56 -3.911 -3.151 -3.017 424 H CYS 57 H CYS 57 -1.974 -1.747 0.786 425 HA CYS 57 HA CYS 57 -1.030 -4.427 1.058 426 HB2 CYS 57 1HB CYS 57 -1.714 -2.751 2.849 427 HB3 CYS 57 2HB CYS 57 -3.374 -3.122 2.421 428 H LEU 58 H LEU 58 -1.710 -6.081 -0.295 429 HA LEU 58 HA LEU 58 -4.219 -6.045 -1.662 430 HG LEU 58 HG LEU 58 -1.057 -6.250 -2.053 431 HB2 LEU 58 1HB LEU 58 -2.226 -8.255 -1.249 432 HB3 LEU 58 2HB LEU 58 -3.381 -8.089 -2.566 433 HD11 LEU 58 1HD1 LEU 58 -0.315 -8.329 -2.875 434 HD12 LEU 58 2HD1 LEU 58 -0.233 -7.052 -4.137 435 HD13 LEU 58 3HD1 LEU 58 -1.517 -8.273 -4.186 436 HD21 LEU 58 3HD2 LEU 58 -1.626 -5.273 -4.098 437 HD22 LEU 58 1HD2 LEU 58 -2.940 -5.128 -2.928 438 HD23 LEU 58 2HD2 LEU 58 -3.054 -6.335 -4.234 439 H LYS 59 H LYS 59 -3.299 -6.698 1.182 440 HA LYS 59 HA LYS 59 -5.154 -8.783 1.828 441 HB2 LYS 59 1HB LYS 59 -3.129 -8.878 2.970 442 HB3 LYS 59 2HB LYS 59 -3.218 -7.207 3.511 443 HG2 LYS 59 1HG LYS 59 -3.719 -8.558 5.376 444 HG3 LYS 59 2HG LYS 59 -5.200 -7.823 4.721 445 HD2 LYS 59 1HD LYS 59 -5.965 -9.801 3.820 446 HD3 LYS 59 2HD LYS 59 -4.389 -10.587 3.878 447 HE2 LYS 59 1HE LYS 59 -4.499 -10.591 6.299 448 HE3 LYS 59 2HE LYS 59 -6.114 -9.856 6.242 449 HZ1 LYS 59 3HZ LYS 59 -6.875 -11.857 5.018 450 HZ2 LYS 59 1HZ LYS 59 -6.253 -12.287 6.518 451 HZ3 LYS 59 2HZ LYS 59 -5.338 -12.504 5.146 452 H CYS 60 H CYS 60 -4.936 -5.311 2.508 453 HA CYS 60 HA CYS 60 -7.803 -5.462 3.276 454 HB2 CYS 60 1HB CYS 60 -7.550 -4.157 5.233 455 HB3 CYS 60 2HB CYS 60 -6.309 -5.427 5.259 456 H GLY 61 H GLY 61 -5.696 -3.889 1.297 457 HA2 GLY 61 1HA GLY 61 -6.196 -2.200 -0.151 458 HA3 GLY 61 2HA GLY 61 -7.722 -1.932 0.708 459 H HIS 62 H HIS 62 -5.023 -2.007 2.699 460 HA HIS 62 HA HIS 62 -5.046 0.875 3.214 461 HD1 HIS 62 HD1 HIS 62 -1.023 0.270 4.385 462 HD2 HIS 62 HD2 HIS 62 -4.404 1.871 6.195 463 HE1 HIS 62 HE1 HIS 62 -0.232 2.249 5.697 464 HB2 HIS 62 1HB HIS 62 -4.578 -0.707 5.064 465 HB3 HIS 62 2HB HIS 62 -3.126 -1.243 4.211 466 H GLN 63 H GLN 63 -3.968 2.264 2.323 467 HA GLN 63 HA GLN 63 -1.925 1.376 0.484 468 HB2 GLN 63 1HB GLN 63 -3.969 2.358 -0.363 469 HB3 GLN 63 2HB GLN 63 -3.549 3.841 0.478 470 HG2 GLN 63 1HG GLN 63 -1.761 4.253 -0.961 471 HG3 GLN 63 2HG GLN 63 -1.911 2.611 -1.633 472 HE21 GLN 63 1HE2 GLN 63 -4.814 4.250 -0.899 473 HE22 GLN 63 2HE2 GLN 63 -5.190 4.566 -2.538 474 H GLY 64 H GLY 64 -0.012 1.995 0.831 475 HA2 GLY 64 1HA GLY 64 0.758 4.228 2.639 476 HA3 GLY 64 2HA GLY 64 1.364 2.596 2.841 477 H CYS 65 H CYS 65 2.875 4.772 2.549 478 HA CYS 65 HA CYS 65 3.845 4.760 -0.156 479 HB2 CYS 65 1HB CYS 65 5.244 6.679 0.721 480 HB3 CYS 65 2HB CYS 65 3.498 6.905 0.838 481 H GLY 66 H GLY 66 5.885 4.036 -0.643 482 HA2 GLY 66 1HA GLY 66 6.790 1.861 0.955 483 HA3 GLY 66 2HA GLY 66 7.409 2.356 -0.619 484 H ARG 67 H ARG 67 9.470 2.047 -0.125 485 HA ARG 67 HA ARG 67 10.636 2.797 2.387 486 HE ARG 67 HE ARG 67 12.397 0.114 -1.031 487 HB2 ARG 67 1HB ARG 67 11.975 1.744 -0.098 488 HB3 ARG 67 2HB ARG 67 12.624 1.733 1.536 489 HG2 ARG 67 1HG ARG 67 10.862 0.205 2.244 490 HG3 ARG 67 2HG ARG 67 10.173 0.243 0.623 491 HD2 ARG 67 1HD ARG 67 12.891 -0.822 1.396 492 HD3 ARG 67 2HD ARG 67 11.481 -1.779 0.959 493 HH11 ARG 67 1HH1 ARG 67 12.459 -3.273 0.069 494 HH12 ARG 67 2HH1 ARG 67 13.108 -3.868 -1.371 495 HH21 ARG 67 1HH2 ARG 67 13.267 -0.696 -3.008 496 HH22 ARG 67 2HH2 ARG 67 13.589 -2.356 -3.192 497 H ASN 68 H ASN 68 10.014 4.498 -0.372 498 HA ASN 68 HA ASN 68 12.499 6.049 -0.362 499 HB2 ASN 68 1HB ASN 68 10.177 6.851 -2.038 500 HB3 ASN 68 2HB ASN 68 11.898 6.891 -2.418 501 HD21 ASN 68 1HD2 ASN 68 12.900 4.924 -3.063 502 HD22 ASN 68 2HD2 ASN 68 11.933 3.631 -3.717 503 H SER 69 H SER 69 9.930 6.052 1.563 504 HA SER 69 HA SER 69 9.394 8.876 1.291 505 HG SER 69 HG SER 69 7.896 5.681 2.421 506 HB2 SER 69 1HB SER 69 7.418 8.434 2.735 507 HB3 SER 69 2HB SER 69 7.445 7.453 1.267 508 H GLN 70 H GLN 70 8.878 9.790 3.744 509 HA GLN 70 HA GLN 70 11.377 9.523 5.171 510 HB2 GLN 70 1HB GLN 70 10.321 11.737 4.854 511 HB3 GLN 70 2HB GLN 70 8.922 11.181 5.777 512 HG2 GLN 70 1HG GLN 70 10.337 12.577 7.151 513 HG3 GLN 70 2HG GLN 70 10.336 10.923 7.751 514 HE21 GLN 70 1HE2 GLN 70 12.174 11.991 4.952 515 HE22 GLN 70 2HE2 GLN 70 13.733 11.812 5.680 516 H GLU 71 H GLU 71 8.011 8.794 5.548 517 HA GLU 71 HA GLU 71 8.258 7.880 8.282 518 HB2 GLU 71 1HB GLU 71 5.799 7.669 8.113 519 HB3 GLU 71 2HB GLU 71 6.352 9.209 7.457 520 HG2 GLU 71 1HG GLU 71 6.087 6.992 5.584 521 HG3 GLU 71 2HG GLU 71 4.615 7.666 6.278 522 H GLN 72 H GLN 72 7.860 6.531 5.038 523 HA GLN 72 HA GLN 72 7.414 4.549 4.196 524 HB2 GLN 72 1HB GLN 72 9.151 3.619 6.485 525 HB3 GLN 72 2HB GLN 72 8.819 2.683 5.024 526 HG2 GLN 72 1HG GLN 72 9.849 4.563 3.702 527 HG3 GLN 72 2HG GLN 72 10.313 5.260 5.268 528 HE21 GLN 72 1HE2 GLN 72 10.399 1.914 4.640 529 HE22 GLN 72 2HE2 GLN 72 12.143 1.936 4.645 530 H HIS 73 H HIS 73 5.120 5.261 5.224 531 HA HIS 73 HA HIS 73 4.064 4.058 7.364 532 HD2 HIS 73 HD2 HIS 73 3.081 5.888 8.667 533 HE1 HIS 73 HE1 HIS 73 2.322 9.379 6.354 534 HE2 HIS 73 HE2 HIS 73 2.601 8.472 8.775 535 HB2 HIS 73 1HB HIS 73 3.014 5.114 4.797 536 HB3 HIS 73 2HB HIS 73 1.956 4.399 6.005 537 H ALA 74 H ALA 74 4.389 2.714 4.106 538 HA ALA 74 HA ALA 74 2.623 0.423 4.467 539 HB1 ALA 74 3HB ALA 74 3.354 1.242 2.229 540 HB2 ALA 74 1HB ALA 74 3.704 -0.468 2.485 541 HB3 ALA 74 2HB ALA 74 4.995 0.724 2.611 542 H LEU 75 H LEU 75 5.963 1.023 5.145 543 HA LEU 75 HA LEU 75 6.614 -1.694 5.773 544 HG LEU 75 HG LEU 75 9.767 0.373 4.878 545 HB2 LEU 75 1HB LEU 75 7.969 0.953 6.390 546 HB3 LEU 75 2HB LEU 75 8.641 -0.612 6.829 547 HD11 LEU 75 1HD1 LEU 75 9.730 -1.985 5.101 548 HD12 LEU 75 2HD1 LEU 75 9.695 -1.473 3.411 549 HD13 LEU 75 3HD1 LEU 75 8.215 -2.075 4.181 550 HD21 LEU 75 3HD2 LEU 75 7.177 0.029 3.378 551 HD22 LEU 75 1HD2 LEU 75 8.697 0.600 2.718 552 HD23 LEU 75 2HD2 LEU 75 7.793 1.593 3.873 553 H LYS 76 H LYS 76 5.950 1.253 7.801 554 HA LYS 76 HA LYS 76 5.793 0.045 10.207 555 HB2 LYS 76 1HB LYS 76 3.907 2.124 9.126 556 HB3 LYS 76 2HB LYS 76 4.285 1.808 10.826 557 HG2 LYS 76 1HG LYS 76 6.544 2.555 10.491 558 HG3 LYS 76 2HG LYS 76 6.244 2.774 8.757 559 HD2 LYS 76 1HD LYS 76 6.130 4.875 9.772 560 HD3 LYS 76 2HD LYS 76 4.478 4.410 9.357 561 HE2 LYS 76 1HE LYS 76 4.059 3.701 11.658 562 HE3 LYS 76 2HE LYS 76 5.709 4.164 12.106 563 HZ1 LYS 76 3HZ LYS 76 4.122 5.835 12.742 564 HZ2 LYS 76 1HZ LYS 76 3.562 5.999 11.168 565 HZ3 LYS 76 2HZ LYS 76 5.132 6.465 11.562 566 H HIS 77 H HIS 77 3.427 -0.069 7.577 567 HA HIS 77 HA HIS 77 1.316 -1.139 9.218 568 HD1 HIS 77 HD1 HIS 77 -1.406 -0.394 8.378 569 HD2 HIS 77 HD2 HIS 77 -0.162 -3.237 5.605 570 HE1 HIS 77 HE1 HIS 77 -3.418 -1.762 7.848 571 HB2 HIS 77 1HB HIS 77 0.898 0.135 7.143 572 HB3 HIS 77 2HB HIS 77 1.605 -1.188 6.200 573 H TYR 78 H TYR 78 3.856 -2.517 7.235 574 HA TYR 78 HA TYR 78 2.972 -5.142 7.693 575 HD1 TYR 78 HD2 TYR 78 3.877 -7.313 6.765 576 HD2 TYR 78 HD1 TYR 78 7.514 -5.284 7.653 577 HE1 TYR 78 HE2 TYR 78 4.973 -9.475 7.220 578 HE2 TYR 78 HE1 TYR 78 8.608 -7.431 8.112 579 HH TYR 78 HH TYR 78 7.963 -9.663 8.780 580 HB2 TYR 78 1HB TYR 78 4.476 -4.806 5.959 581 HB3 TYR 78 2HB TYR 78 5.672 -4.011 6.997 582 H LEU 79 H LEU 79 5.074 -2.898 9.607 583 HA LEU 79 HA LEU 79 5.778 -4.937 11.418 584 HG LEU 79 HG LEU 79 7.262 -2.666 9.667 585 HB2 LEU 79 1HB LEU 79 6.000 -1.939 11.588 586 HB3 LEU 79 2HB LEU 79 6.839 -3.106 12.613 587 HD11 LEU 79 1HD1 LEU 79 8.202 -0.907 11.036 588 HD12 LEU 79 2HD1 LEU 79 9.467 -1.902 10.321 589 HD13 LEU 79 3HD1 LEU 79 9.039 -2.108 12.022 590 HD21 LEU 79 3HD2 LEU 79 8.568 -4.615 11.555 591 HD22 LEU 79 1HD2 LEU 79 9.070 -4.312 9.879 592 HD23 LEU 79 2HD2 LEU 79 7.468 -4.979 10.226 593 H THR 80 H THR 80 3.062 -3.423 10.841 594 HA THR 80 HA THR 80 2.136 -2.884 13.469 595 HB THR 80 HB THR 80 0.545 -3.509 10.957 596 HG1 THR 80 HG1 THR 80 2.044 -1.597 11.258 597 HG21 THR 80 3HG2 THR 80 -0.395 -2.226 13.537 598 HG22 THR 80 1HG2 THR 80 -0.865 -3.822 12.954 599 HG23 THR 80 2HG2 THR 80 -1.344 -2.376 12.063 600 HA PRO 81 HA PRO 81 1.945 -7.217 14.796 601 HB2 PRO 81 1HB PRO 81 0.115 -7.024 16.791 602 HB3 PRO 81 2HB PRO 81 1.814 -6.533 16.953 603 HG2 PRO 81 1HG PRO 81 -0.582 -4.885 16.323 604 HG3 PRO 81 2HG PRO 81 0.770 -4.642 17.483 605 HD2 PRO 81 1HD PRO 81 0.732 -3.354 15.132 606 HD3 PRO 81 2HD PRO 81 2.252 -3.996 15.811 607 H ARG 82 H ARG 82 1.131 -8.127 13.320 608 HA ARG 82 HA ARG 82 -1.760 -8.818 13.218 609 HE ARG 82 HE ARG 82 -3.465 -5.548 10.787 610 HB2 ARG 82 1HB ARG 82 0.165 -8.285 11.034 611 HB3 ARG 82 2HB ARG 82 -1.294 -9.245 10.754 612 HG2 ARG 82 1HG ARG 82 -1.315 -6.533 11.973 613 HG3 ARG 82 2HG ARG 82 -1.393 -6.821 10.225 614 HD2 ARG 82 1HD ARG 82 -3.299 -8.240 10.547 615 HD3 ARG 82 2HD ARG 82 -3.275 -7.957 12.296 616 HH11 ARG 82 1HH1 ARG 82 -5.333 -8.227 12.126 617 HH12 ARG 82 2HH1 ARG 82 -6.805 -7.379 12.176 618 HH21 ARG 82 1HH2 ARG 82 -5.509 -4.343 10.882 619 HH22 ARG 82 2HH2 ARG 82 -6.903 -5.112 11.452 620 H SER 83 H SER 83 -2.311 -10.907 13.173 621 HA SER 83 HA SER 83 -0.213 -12.902 13.048 622 HG SER 83 HG SER 83 -0.969 -14.869 14.202 623 HB2 SER 83 1HB SER 83 -2.092 -13.031 14.777 624 HB3 SER 83 2HB SER 83 -3.200 -13.331 13.439 625 H GLU 84 H GLU 84 -3.173 -11.870 11.388 626 HA GLU 84 HA GLU 84 -2.572 -13.527 9.099 627 HB2 GLU 84 1HB GLU 84 -4.564 -11.237 9.286 628 HB3 GLU 84 2HB GLU 84 -4.302 -12.382 7.954 629 HG2 GLU 84 1HG GLU 84 -6.320 -12.980 9.104 630 HG3 GLU 84 2HG GLU 84 -5.094 -14.201 9.410 631 HA PRO 85 HA PRO 85 0.249 -10.742 7.956 632 HB2 PRO 85 1HB PRO 85 1.201 -11.837 5.743 633 HB3 PRO 85 2HB PRO 85 1.339 -12.662 7.312 634 HG2 PRO 85 1HG PRO 85 -0.561 -13.106 5.073 635 HG3 PRO 85 2HG PRO 85 0.265 -14.284 6.115 636 HD2 PRO 85 1HD PRO 85 -2.363 -13.324 6.462 637 HD3 PRO 85 2HD PRO 85 -1.403 -14.151 7.710 638 H HIS 86 H HIS 86 -0.466 -9.004 7.560 639 HA HIS 86 HA HIS 86 -1.680 -8.142 5.048 640 HD2 HIS 86 HD2 HIS 86 -2.910 -8.728 8.290 641 HE1 HIS 86 HE1 HIS 86 -5.778 -5.769 7.339 642 HE2 HIS 86 HE2 HIS 86 -5.376 -7.960 8.561 643 HB2 HIS 86 1HB HIS 86 -0.758 -6.699 7.534 644 HB3 HIS 86 2HB HIS 86 -1.311 -5.833 6.093 645 H CYS 87 H CYS 87 0.637 -9.472 4.671 646 HA CYS 87 HA CYS 87 2.764 -7.577 4.734 647 HG CYS 87 HG CYS 87 1.566 -10.973 3.273 648 HB2 CYS 87 1HB CYS 87 4.234 -9.504 4.109 649 HB3 CYS 87 2HB CYS 87 3.377 -9.595 5.654 650 H LEU 88 H LEU 88 0.497 -8.058 2.643 651 HA LEU 88 HA LEU 88 2.118 -8.288 0.189 652 HG LEU 88 HG LEU 88 0.560 -10.911 1.342 653 HB2 LEU 88 1HB LEU 88 -0.627 -9.193 0.826 654 HB3 LEU 88 2HB LEU 88 -0.137 -9.074 -0.836 655 HD11 LEU 88 1HD1 LEU 88 0.136 -11.313 -1.587 656 HD12 LEU 88 2HD1 LEU 88 -1.038 -11.716 -0.296 657 HD13 LEU 88 3HD1 LEU 88 0.533 -12.576 -0.440 658 HD21 LEU 88 3HD2 LEU 88 2.698 -10.200 0.789 659 HD22 LEU 88 1HD2 LEU 88 2.392 -10.393 -0.939 660 HD23 LEU 88 2HD2 LEU 88 2.476 -11.817 0.108 661 H VAL 89 H VAL 89 2.425 -6.844 -0.844 662 HA VAL 89 HA VAL 89 0.323 -4.833 -1.017 663 HB VAL 89 HB VAL 89 1.996 -3.040 -0.965 664 HG11 VAL 89 1HG1 VAL 89 2.538 -3.050 1.436 665 HG12 VAL 89 2HG1 VAL 89 2.040 -4.742 1.511 666 HG13 VAL 89 3HG1 VAL 89 0.855 -3.486 1.116 667 HG21 VAL 89 3HG2 VAL 89 4.281 -3.407 -0.283 668 HG22 VAL 89 1HG2 VAL 89 3.854 -4.395 -1.683 669 HG23 VAL 89 2HG2 VAL 89 3.957 -5.142 -0.082 670 H LEU 90 H LEU 90 0.177 -3.996 -3.058 671 HA LEU 90 HA LEU 90 2.248 -4.887 -4.868 672 HG LEU 90 HG LEU 90 -1.126 -3.197 -5.003 673 HB2 LEU 90 1HB LEU 90 0.785 -4.667 -6.721 674 HB3 LEU 90 2HB LEU 90 -0.108 -5.547 -5.490 675 HD11 LEU 90 1HD1 LEU 90 -1.308 -1.796 -6.993 676 HD12 LEU 90 2HD1 LEU 90 -0.155 -2.916 -7.777 677 HD13 LEU 90 3HD1 LEU 90 0.352 -1.980 -6.373 678 HD21 LEU 90 3HD2 LEU 90 -2.438 -5.087 -5.912 679 HD22 LEU 90 1HD2 LEU 90 -1.866 -4.673 -7.524 680 HD23 LEU 90 2HD2 LEU 90 -2.905 -3.556 -6.645 681 H SER 91 H SER 91 2.923 -3.257 -6.515 682 HA SER 91 HA SER 91 3.165 -0.691 -5.191 683 HG SER 91 HG SER 91 5.771 -2.273 -7.855 684 HB2 SER 91 1HB SER 91 5.246 -0.463 -6.333 685 HB3 SER 91 2HB SER 91 5.114 -2.171 -5.887 686 H LEU 92 H LEU 92 2.253 1.053 -6.009 687 HA LEU 92 HA LEU 92 0.762 0.938 -8.495 688 HG LEU 92 HG LEU 92 -0.296 1.005 -5.868 689 HB2 LEU 92 1HB LEU 92 1.224 3.009 -6.376 690 HB3 LEU 92 2HB LEU 92 0.184 3.305 -7.767 691 HD11 LEU 92 1HD1 LEU 92 -1.880 2.353 -4.761 692 HD12 LEU 92 2HD1 LEU 92 -1.531 3.709 -5.825 693 HD13 LEU 92 3HD1 LEU 92 -0.307 3.153 -4.661 694 HD21 LEU 92 3HD2 LEU 92 -2.090 2.580 -7.613 695 HD22 LEU 92 1HD2 LEU 92 -2.493 1.110 -6.729 696 HD23 LEU 92 2HD2 LEU 92 -1.369 1.028 -8.114 697 H ASP 93 H ASP 93 3.680 0.851 -8.232 698 HA ASP 93 HA ASP 93 4.570 3.274 -9.673 699 HB2 ASP 93 1HB ASP 93 5.542 2.411 -7.424 700 HB3 ASP 93 2HB ASP 93 6.307 1.213 -8.430 701 H ASN 94 H ASN 94 5.467 -0.113 -9.365 702 HA ASN 94 HA ASN 94 6.041 -0.210 -12.267 703 HB2 ASN 94 1HB ASN 94 8.058 -0.502 -10.867 704 HB3 ASN 94 2HB ASN 94 7.269 -1.802 -9.974 705 HD21 ASN 94 1HD2 ASN 94 8.817 -0.905 -12.922 706 HD22 ASN 94 2HD2 ASN 94 9.024 -2.528 -13.507 707 H TRP 95 H TRP 95 3.970 -1.065 -9.911 708 HA TRP 95 HA TRP 95 2.367 -2.526 -9.557 709 HD1 TRP 95 HD1 TRP 95 2.298 -0.338 -13.054 710 HE1 TRP 95 HE1 TRP 95 0.377 1.316 -12.721 711 HE3 TRP 95 HE3 TRP 95 -0.648 -3.132 -9.969 712 HZ2 TRP 95 HZ2 TRP 95 -2.077 1.445 -11.321 713 HZ3 TRP 95 HZ3 TRP 95 -2.757 -2.177 -9.173 714 HH2 TRP 95 HH2 TRP 95 -3.462 0.066 -9.835 715 HB2 TRP 95 1HB TRP 95 2.540 -2.922 -12.549 716 HB3 TRP 95 2HB TRP 95 1.307 -3.689 -11.549 717 H SER 96 H SER 96 4.257 -3.401 -8.444 718 HA SER 96 HA SER 96 4.751 -6.151 -9.360 719 HG SER 96 HG SER 96 7.792 -5.050 -9.084 720 HB2 SER 96 1HB SER 96 6.136 -4.634 -7.182 721 HB3 SER 96 2HB SER 96 6.596 -6.171 -7.900 722 H VAL 97 H VAL 97 4.692 -7.689 -7.619 723 HA VAL 97 HA VAL 97 3.057 -6.758 -5.389 724 HB VAL 97 HB VAL 97 3.322 -9.502 -6.646 725 HG11 VAL 97 1HG1 VAL 97 3.482 -9.681 -4.243 726 HG12 VAL 97 2HG1 VAL 97 1.935 -10.309 -4.899 727 HG13 VAL 97 3HG1 VAL 97 1.996 -8.718 -4.086 728 HG21 VAL 97 3HG2 VAL 97 1.683 -7.858 -7.485 729 HG22 VAL 97 1HG2 VAL 97 0.919 -7.922 -5.890 730 HG23 VAL 97 2HG2 VAL 97 1.064 -9.405 -6.866 731 H TRP 98 H TRP 98 3.847 -7.059 -3.358 732 HA TRP 98 HA TRP 98 6.502 -8.240 -3.206 733 HD1 TRP 98 HD1 TRP 98 7.109 -6.624 0.551 734 HE1 TRP 98 HE1 TRP 98 9.608 -7.176 0.881 735 HE3 TRP 98 HE3 TRP 98 8.580 -6.557 -4.317 736 HZ2 TRP 98 HZ2 TRP 98 11.836 -7.547 -0.704 737 HZ3 TRP 98 HZ3 TRP 98 10.904 -7.018 -4.864 738 HH2 TRP 98 HH2 TRP 98 12.548 -7.495 -3.090 739 HB2 TRP 98 1HB TRP 98 6.496 -5.624 -3.039 740 HB3 TRP 98 2HB TRP 98 5.677 -5.905 -1.503 741 H CYS 99 H CYS 99 6.784 -9.696 -1.573 742 HA CYS 99 HA CYS 99 4.638 -9.732 0.377 743 HB2 CYS 99 1HB CYS 99 4.411 -11.729 -0.907 744 HB3 CYS 99 2HB CYS 99 6.133 -12.107 -0.857 745 H TYR 100 H TYR 100 5.372 -9.055 2.170 746 HA TYR 100 HA TYR 100 8.136 -8.495 2.492 747 HD1 TYR 100 HD1 TYR 100 8.437 -6.029 3.173 748 HD2 TYR 100 HD2 TYR 100 4.373 -6.964 3.875 749 HE1 TYR 100 HE1 TYR 100 7.818 -3.766 2.430 750 HE2 TYR 100 HE2 TYR 100 3.709 -4.690 3.117 751 HH TYR 100 HH TYR 100 5.812 -2.631 1.484 752 HB2 TYR 100 1HB TYR 100 5.929 -8.441 4.527 753 HB3 TYR 100 2HB TYR 100 7.577 -7.900 4.814 754 H VAL 101 H VAL 101 6.172 -11.147 3.472 755 HA VAL 101 HA VAL 101 8.152 -12.079 5.381 756 HB VAL 101 HB VAL 101 5.745 -12.254 5.865 757 HG11 VAL 101 1HG1 VAL 101 5.730 -14.251 3.666 758 HG12 VAL 101 2HG1 VAL 101 5.096 -12.639 3.609 759 HG13 VAL 101 3HG1 VAL 101 4.336 -13.843 4.700 760 HG21 VAL 101 3HG2 VAL 101 7.141 -14.928 5.709 761 HG22 VAL 101 1HG2 VAL 101 5.708 -14.593 6.682 762 HG23 VAL 101 2HG2 VAL 101 7.229 -13.778 7.042 763 H CYS 102 H CYS 102 7.466 -12.496 2.055 764 HA CYS 102 HA CYS 102 9.061 -14.946 1.867 765 HB2 CYS 102 1HB CYS 102 7.458 -13.311 -0.049 766 HB3 CYS 102 2HB CYS 102 8.788 -14.286 -0.671 767 H ASP 103 H ASP 103 9.026 -11.583 1.480 768 HA ASP 103 HA ASP 103 10.539 -9.959 1.246 769 HB2 ASP 103 1HB ASP 103 11.736 -11.125 3.005 770 HB3 ASP 103 2HB ASP 103 12.580 -12.133 1.823 771 H ASN 104 H ASN 104 9.514 -10.917 -1.089 772 HA ASN 104 HA ASN 104 11.601 -10.302 -2.870 773 HB2 ASN 104 1HB ASN 104 11.425 -12.279 -4.191 774 HB3 ASN 104 2HB ASN 104 11.672 -12.800 -2.501 775 HD21 ASN 104 1HD2 ASN 104 9.439 -12.462 -5.025 776 HD22 ASN 104 2HD2 ASN 104 8.090 -13.201 -4.271 777 H GLU 105 H GLU 105 10.492 -10.417 -5.112 778 HA GLU 105 HA GLU 105 8.002 -9.009 -5.006 779 HB2 GLU 105 1HB GLU 105 9.929 -8.391 -6.228 780 HB3 GLU 105 2HB GLU 105 9.716 -9.768 -7.315 781 HG2 GLU 105 1HG GLU 105 7.523 -9.034 -7.885 782 HG3 GLU 105 2HG GLU 105 7.710 -7.629 -6.830 783 H VAL 106 H VAL 106 6.107 -10.025 -5.768 784 HA VAL 106 HA VAL 106 6.315 -12.889 -6.372 785 HB VAL 106 HB VAL 106 3.769 -11.439 -5.624 786 HG11 VAL 106 1HG1 VAL 106 3.537 -13.694 -6.579 787 HG12 VAL 106 2HG1 VAL 106 3.089 -13.680 -4.875 788 HG13 VAL 106 3HG1 VAL 106 4.652 -14.329 -5.368 789 HG21 VAL 106 3HG2 VAL 106 5.807 -12.719 -3.827 790 HG22 VAL 106 1HG2 VAL 106 4.246 -12.050 -3.292 791 HG23 VAL 106 2HG2 VAL 106 5.510 -11.002 -3.999 792 H GLN 107 H GLN 107 5.351 -13.795 -8.178 793 HA GLN 107 HA GLN 107 4.638 -11.907 -10.220 794 HB2 GLN 107 1HB GLN 107 5.925 -14.615 -10.612 795 HB3 GLN 107 2HB GLN 107 5.728 -13.323 -11.806 796 HG2 GLN 107 1HG GLN 107 7.580 -13.352 -9.425 797 HG3 GLN 107 2HG GLN 107 8.028 -13.430 -11.125 798 HE21 GLN 107 1HE2 GLN 107 8.654 -11.576 -8.932 799 HE22 GLN 107 2HE2 GLN 107 8.302 -9.979 -9.519 800 H TYR 108 H TYR 108 2.995 -12.391 -11.225 801 HA TYR 108 HA TYR 108 1.247 -14.729 -10.620 802 HD1 TYR 108 HD2 TYR 108 -0.623 -11.207 -12.109 803 HD2 TYR 108 HD1 TYR 108 1.853 -11.226 -8.673 804 HE1 TYR 108 HE2 TYR 108 -0.172 -8.827 -12.432 805 HE2 TYR 108 HE1 TYR 108 2.331 -8.927 -8.930 806 HH TYR 108 HH TYR 108 0.613 -6.899 -11.259 807 HB2 TYR 108 1HB TYR 108 -0.661 -13.067 -10.493 808 HB3 TYR 108 2HB TYR 108 0.473 -13.084 -9.132 809 H CYS 109 H CYS 109 -0.845 -14.466 -11.986 810 HA CYS 109 HA CYS 109 -0.714 -13.085 -14.448 811 HG CYS 109 HG CYS 109 -0.343 -16.933 -13.033 812 HB2 CYS 109 1HB CYS 109 -0.972 -15.115 -15.860 813 HB3 CYS 109 2HB CYS 109 0.589 -15.128 -15.032 814 H SER 110 H SER 110 -2.928 -14.107 -15.636 815 HA SER 110 HA SER 110 -4.957 -13.329 -13.852 816 HG SER 110 HG SER 110 -4.582 -12.142 -15.658 817 HB2 SER 110 1HB SER 110 -5.134 -14.645 -16.553 818 HB3 SER 110 2HB SER 110 -6.487 -13.908 -15.693 819 H SER 111 H SER 111 -3.589 -16.432 -14.423 820 HA SER 111 HA SER 111 -5.853 -17.927 -13.483 821 HG SER 111 HG SER 111 -5.298 -20.304 -13.566 822 HB2 SER 111 1HB SER 111 -4.136 -18.932 -14.973 823 HB3 SER 111 2HB SER 111 -2.937 -18.737 -13.687 824 H ASN 112 H ASN 112 -3.149 -16.321 -12.065 825 HA ASN 112 HA ASN 112 -3.407 -17.595 -9.476 826 HB2 ASN 112 1HB ASN 112 -1.873 -15.111 -10.332 827 HB3 ASN 112 2HB ASN 112 -1.786 -15.837 -8.728 828 HD21 ASN 112 1HD2 ASN 112 -0.571 -17.696 -8.494 829 HD22 ASN 112 2HD2 ASN 112 0.536 -18.223 -9.713 830 H GLN 113 H GLN 113 -4.544 -16.740 -7.772 831 HA GLN 113 HA GLN 113 -6.664 -14.901 -8.181 832 HB2 GLN 113 1HB GLN 113 -6.609 -16.524 -6.315 833 HB3 GLN 113 2HB GLN 113 -5.222 -15.662 -5.635 834 HG2 GLN 113 1HG GLN 113 -6.903 -13.634 -5.716 835 HG3 GLN 113 2HG GLN 113 -8.106 -14.926 -5.671 836 HE21 GLN 113 1HE2 GLN 113 -4.962 -14.988 -4.026 837 HE22 GLN 113 2HE2 GLN 113 -5.662 -14.858 -2.445 838 H LEU 114 H LEU 114 -3.238 -14.509 -7.242 839 HA LEU 114 HA LEU 114 -3.346 -11.897 -6.284 840 HG LEU 114 HG LEU 114 -0.508 -11.248 -7.523 841 HB2 LEU 114 1HB LEU 114 -1.567 -13.542 -5.923 842 HB3 LEU 114 2HB LEU 114 -1.242 -13.546 -7.656 843 HD11 LEU 114 1HD1 LEU 114 -0.258 -10.156 -5.327 844 HD12 LEU 114 2HD1 LEU 114 -1.082 -11.526 -4.572 845 HD13 LEU 114 3HD1 LEU 114 -1.943 -10.496 -5.718 846 HD21 LEU 114 3HD2 LEU 114 0.774 -12.947 -5.411 847 HD22 LEU 114 1HD2 LEU 114 1.526 -11.638 -6.313 848 HD23 LEU 114 2HD2 LEU 114 1.046 -13.118 -7.143 849 H GLY 115 H GLY 115 -2.960 -13.356 -9.438 850 HA2 GLY 115 1HA GLY 115 -2.415 -10.870 -10.749 851 HA3 GLY 115 2HA GLY 115 -2.842 -12.387 -11.553 852 H GLN 116 H GLN 116 -5.361 -12.944 -10.279 853 HA GLN 116 HA GLN 116 -7.164 -11.525 -11.676 854 HB2 GLN 116 1HB GLN 116 -7.384 -12.962 -9.027 855 HB3 GLN 116 2HB GLN 116 -8.767 -12.434 -9.996 856 HG2 GLN 116 1HG GLN 116 -7.916 -13.747 -11.808 857 HG3 GLN 116 2HG GLN 116 -6.647 -14.380 -10.778 858 HE21 GLN 116 1HE2 GLN 116 -7.060 -16.059 -9.474 859 HE22 GLN 116 2HE2 GLN 116 -8.607 -16.824 -9.274 860 H VAL 117 H VAL 117 -5.933 -10.954 -8.479 861 HA VAL 117 HA VAL 117 -7.909 -8.991 -8.126 862 HB VAL 117 HB VAL 117 -5.941 -10.129 -6.203 863 HG11 VAL 117 1HG1 VAL 117 -7.437 -7.544 -5.697 864 HG12 VAL 117 2HG1 VAL 117 -5.703 -7.668 -5.978 865 HG13 VAL 117 3HG1 VAL 117 -6.415 -8.415 -4.532 866 HG21 VAL 117 3HG2 VAL 117 -7.988 -11.144 -6.269 867 HG22 VAL 117 1HG2 VAL 117 -8.844 -9.589 -6.403 868 HG23 VAL 117 2HG2 VAL 117 -8.108 -9.994 -4.887 869 H VAL 118 H VAL 118 -4.330 -8.971 -8.411 870 HA VAL 118 HA VAL 118 -4.008 -6.234 -8.402 871 HB VAL 118 HB VAL 118 -2.580 -8.304 -10.062 872 HG11 VAL 118 1HG1 VAL 118 -1.790 -5.427 -9.477 873 HG12 VAL 118 2HG1 VAL 118 -2.226 -6.084 -11.054 874 HG13 VAL 118 3HG1 VAL 118 -0.745 -6.616 -10.249 875 HG21 VAL 118 3HG2 VAL 118 -2.325 -8.652 -7.675 876 HG22 VAL 118 1HG2 VAL 118 -1.831 -6.964 -7.479 877 HG23 VAL 118 2HG2 VAL 118 -0.804 -8.078 -8.379 878 H ASP 119 H ASP 119 -5.264 -8.287 -10.931 879 HA ASP 119 HA ASP 119 -5.214 -6.318 -13.008 880 HB2 ASP 119 1HB ASP 119 -5.455 -8.794 -13.442 881 HB3 ASP 119 2HB ASP 119 -6.979 -8.717 -12.577 882 H TYR 120 H TYR 120 -7.475 -7.420 -10.653 883 HA TYR 120 HA TYR 120 -9.665 -5.761 -11.446 884 HD1 TYR 120 HD1 TYR 120 -12.155 -5.551 -9.857 885 HD2 TYR 120 HD2 TYR 120 -9.238 -6.617 -6.962 886 HE1 TYR 120 HE1 TYR 120 -13.434 -4.380 -8.128 887 HE2 TYR 120 HE2 TYR 120 -10.476 -5.474 -5.243 888 HH TYR 120 HH TYR 120 -13.681 -4.290 -5.767 889 HB2 TYR 120 1HB TYR 120 -10.452 -7.527 -10.102 890 HB3 TYR 120 2HB TYR 120 -9.041 -7.453 -9.040 891 H VAL 121 H VAL 121 -7.118 -5.378 -9.074 892 HA VAL 121 HA VAL 121 -8.125 -2.856 -8.136 893 HB VAL 121 HB VAL 121 -5.448 -4.261 -7.719 894 HG11 VAL 121 1HG1 VAL 121 -5.129 -2.776 -5.833 895 HG12 VAL 121 2HG1 VAL 121 -6.642 -1.958 -6.222 896 HG13 VAL 121 3HG1 VAL 121 -5.280 -1.868 -7.341 897 HG21 VAL 121 3HG2 VAL 121 -7.899 -4.172 -6.003 898 HG22 VAL 121 1HG2 VAL 121 -6.335 -4.807 -5.479 899 HG23 VAL 121 2HG2 VAL 121 -7.207 -5.570 -6.811 900 H ARG 122 H ARG 122 -5.956 -3.922 -10.615 901 HA ARG 122 HA ARG 122 -4.983 -1.305 -11.054 902 HE ARG 122 HE ARG 122 -3.812 -3.777 -15.012 903 HB2 ARG 122 1HB ARG 122 -3.920 -3.500 -11.846 904 HB3 ARG 122 2HB ARG 122 -5.113 -3.450 -13.156 905 HG2 ARG 122 1HG ARG 122 -4.217 -1.463 -14.028 906 HG3 ARG 122 2HG ARG 122 -3.301 -1.168 -12.545 907 HD2 ARG 122 1HD ARG 122 -1.745 -1.935 -14.160 908 HD3 ARG 122 2HD ARG 122 -2.064 -3.252 -13.030 909 HH11 ARG 122 1HH1 ARG 122 -0.335 -3.106 -15.088 910 HH12 ARG 122 2HH1 ARG 122 -0.032 -4.144 -16.403 911 HH21 ARG 122 1HH2 ARG 122 -3.387 -5.171 -16.801 912 HH22 ARG 122 2HH2 ARG 122 -1.806 -5.362 -17.400 913 H LYS 123 H LYS 123 -7.883 -3.077 -12.098 914 HA LYS 123 HA LYS 123 -8.781 -0.990 -13.818 915 HB2 LYS 123 1HB LYS 123 -10.447 -2.906 -12.177 916 HB3 LYS 123 2HB LYS 123 -10.942 -2.036 -13.613 917 HG2 LYS 123 1HG LYS 123 -8.924 -4.252 -13.477 918 HG3 LYS 123 2HG LYS 123 -10.593 -4.361 -14.073 919 HD2 LYS 123 1HD LYS 123 -10.079 -2.786 -15.791 920 HD3 LYS 123 2HD LYS 123 -8.416 -2.649 -15.192 921 HE2 LYS 123 1HE LYS 123 -8.071 -5.051 -15.625 922 HE3 LYS 123 2HE LYS 123 -9.706 -5.167 -16.265 923 HZ1 LYS 123 3HZ LYS 123 -9.066 -3.651 -18.047 924 HZ2 LYS 123 1HZ LYS 123 -8.049 -5.004 -18.025 925 HZ3 LYS 123 2HZ LYS 123 -7.519 -3.520 -17.429 926 H GLN 124 H GLN 124 -8.642 -1.450 -10.410 927 HA GLN 124 HA GLN 124 -10.837 0.282 -9.843 928 HB2 GLN 124 1HB GLN 124 -8.697 -0.640 -7.941 929 HB3 GLN 124 2HB GLN 124 -10.037 0.400 -7.456 930 HG2 GLN 124 1HG GLN 124 -9.998 -2.513 -7.961 931 HG3 GLN 124 2HG GLN 124 -10.954 -1.461 -6.898 932 HE21 GLN 124 1HE2 GLN 124 -10.641 -2.770 -9.978 933 HE22 GLN 124 2HE2 GLN 124 -12.227 -2.494 -10.558 934 H ALA 125 H ALA 125 -7.365 0.482 -9.569 935 HA ALA 125 HA ALA 125 -7.276 3.256 -8.967 936 HB1 ALA 125 3HB ALA 125 -5.104 1.361 -9.871 937 HB2 ALA 125 1HB ALA 125 -5.674 1.612 -8.211 938 HB3 ALA 125 2HB ALA 125 -4.902 2.946 -9.082 939 H SER 126 H SER 126 -6.713 1.229 -11.753 940 HA SER 126 HA SER 126 -6.518 1.522 -13.876 941 HG SER 126 HG SER 126 -8.257 4.075 -12.578 942 HB2 SER 126 1HB SER 126 -8.225 3.069 -14.981 943 HB3 SER 126 2HB SER 126 -8.830 1.805 -13.905 Start of MODEL 19 1 HA PRO 5 HA PRO 5 8.334 -18.804 -8.291 2 HB2 PRO 5 1HB PRO 5 6.525 -19.873 -10.047 3 HB3 PRO 5 2HB PRO 5 8.256 -19.712 -10.415 4 HG2 PRO 5 1HG PRO 5 6.767 -22.116 -9.396 5 HG3 PRO 5 2HG PRO 5 8.016 -22.032 -10.679 6 HD2 PRO 5 1HD PRO 5 8.389 -22.832 -8.179 7 HD3 PRO 5 2HD PRO 5 9.684 -21.964 -9.072 8 H VAL 6 H VAL 6 6.513 -17.729 -8.144 9 HA VAL 6 HA VAL 6 4.822 -16.775 -7.098 10 HB VAL 6 HB VAL 6 3.530 -18.559 -8.497 11 HG11 VAL 6 1HG1 VAL 6 2.918 -19.616 -5.751 12 HG12 VAL 6 2HG1 VAL 6 3.771 -20.476 -7.032 13 HG13 VAL 6 3HG1 VAL 6 2.065 -20.060 -7.230 14 HG21 VAL 6 3HG2 VAL 6 2.167 -17.203 -6.189 15 HG22 VAL 6 1HG2 VAL 6 1.376 -17.762 -7.659 16 HG23 VAL 6 2HG2 VAL 6 2.562 -16.450 -7.738 17 H CYS 7 H CYS 7 3.554 -16.507 -5.228 18 HA CYS 7 HA CYS 7 4.945 -17.327 -2.826 19 HB2 CYS 7 1HB CYS 7 4.672 -14.970 -3.095 20 HB3 CYS 7 2HB CYS 7 3.007 -15.164 -3.638 21 H ARG 8 H ARG 8 3.961 -18.294 -1.196 22 HA ARG 8 HA ARG 8 1.374 -19.637 -1.680 23 HE ARG 8 HE ARG 8 2.184 -23.199 -3.447 24 HB2 ARG 8 1HB ARG 8 3.858 -20.453 -0.372 25 HB3 ARG 8 2HB ARG 8 2.369 -20.903 0.478 26 HG2 ARG 8 1HG ARG 8 3.026 -22.690 -0.979 27 HG3 ARG 8 2HG ARG 8 1.557 -21.918 -1.593 28 HD2 ARG 8 1HD ARG 8 2.944 -20.645 -3.184 29 HD3 ARG 8 2HD ARG 8 4.358 -21.539 -2.620 30 HH11 ARG 8 1HH1 ARG 8 5.009 -21.419 -4.654 31 HH12 ARG 8 2HH1 ARG 8 5.227 -22.434 -5.990 32 HH21 ARG 8 1HH2 ARG 8 2.493 -24.561 -5.314 33 HH22 ARG 8 2HH2 ARG 8 3.799 -24.262 -6.353 34 H HIS 9 H HIS 9 2.157 -16.959 -0.502 35 HA HIS 9 HA HIS 9 0.639 -17.118 2.080 36 HD2 HIS 9 HD2 HIS 9 2.842 -17.522 4.081 37 HE1 HIS 9 HE1 HIS 9 6.606 -16.641 2.332 38 HE2 HIS 9 HE2 HIS 9 5.410 -17.950 4.165 39 HB2 HIS 9 1HB HIS 9 2.491 -14.904 1.142 40 HB3 HIS 9 2HB HIS 9 1.729 -15.063 2.726 41 H ILE 10 H ILE 10 -0.308 -17.128 -0.677 42 HA ILE 10 HA ILE 10 -0.913 -14.677 -1.652 43 HB ILE 10 HB ILE 10 -2.468 -17.247 -2.001 44 HG12 ILE 10 1HG1 ILE 10 -0.093 -17.348 -2.706 45 HG13 ILE 10 2HG1 ILE 10 -1.184 -17.439 -4.107 46 HG21 ILE 10 1HG2 ILE 10 -3.390 -16.257 -4.058 47 HG22 ILE 10 2HG2 ILE 10 -2.611 -14.728 -3.669 48 HG23 ILE 10 3HG2 ILE 10 -3.888 -15.351 -2.629 49 HD11 ILE 10 3HD1 ILE 10 -0.707 -15.055 -4.495 50 HD12 ILE 10 1HD1 ILE 10 0.733 -16.090 -4.547 51 HD13 ILE 10 2HD1 ILE 10 0.406 -15.114 -3.116 52 H ARG 11 H ARG 11 -2.857 -16.996 0.060 53 HA ARG 11 HA ARG 11 -5.193 -15.410 0.377 54 HE ARG 11 HE ARG 11 -3.880 -19.817 1.052 55 HB2 ARG 11 1HB ARG 11 -4.274 -17.851 1.829 56 HB3 ARG 11 2HB ARG 11 -5.902 -17.192 1.950 57 HG2 ARG 11 1HG ARG 11 -6.313 -17.599 -0.385 58 HG3 ARG 11 2HG ARG 11 -4.632 -18.100 -0.625 59 HD2 ARG 11 1HD ARG 11 -6.583 -19.496 1.185 60 HD3 ARG 11 2HD ARG 11 -6.276 -19.975 -0.483 61 HH11 ARG 11 1HH1 ARG 11 -6.682 -21.889 0.515 62 HH12 ARG 11 2HH1 ARG 11 -5.856 -23.354 0.785 63 HH21 ARG 11 1HH2 ARG 11 -2.726 -21.842 1.448 64 HH22 ARG 11 2HH2 ARG 11 -3.549 -23.321 1.343 65 H LYS 12 H LYS 12 -2.365 -15.801 2.234 66 HA LYS 12 HA LYS 12 -3.312 -14.745 4.696 67 HB2 LYS 12 1HB LYS 12 -0.514 -14.901 3.593 68 HB3 LYS 12 2HB LYS 12 -0.906 -14.458 5.243 69 HG2 LYS 12 1HG LYS 12 -1.925 -16.669 5.563 70 HG3 LYS 12 2HG LYS 12 -1.424 -17.103 3.917 71 HD2 LYS 12 1HD LYS 12 0.899 -16.745 4.512 72 HD3 LYS 12 2HD LYS 12 0.422 -16.237 6.130 73 HE2 LYS 12 1HE LYS 12 -0.516 -18.456 6.545 74 HE3 LYS 12 2HE LYS 12 -0.023 -18.959 4.930 75 HZ1 LYS 12 3HZ LYS 12 1.546 -19.647 6.665 76 HZ2 LYS 12 1HZ LYS 12 1.847 -18.047 7.054 77 HZ3 LYS 12 2HZ LYS 12 2.277 -18.650 5.548 78 H GLY 13 H GLY 13 -2.094 -13.433 1.773 79 HA2 GLY 13 1HA GLY 13 -2.003 -10.721 2.939 80 HA3 GLY 13 2HA GLY 13 -0.974 -11.277 1.641 81 H LEU 14 H LEU 14 -3.914 -12.591 1.024 82 HA LEU 14 HA LEU 14 -4.868 -10.211 -0.388 83 HG LEU 14 HG LEU 14 -4.778 -10.431 -2.954 84 HB2 LEU 14 1HB LEU 14 -3.548 -12.051 -1.668 85 HB3 LEU 14 2HB LEU 14 -5.013 -12.996 -1.438 86 HD11 LEU 14 1HD1 LEU 14 -5.063 -13.252 -3.828 87 HD12 LEU 14 2HD1 LEU 14 -3.631 -12.231 -3.987 88 HD13 LEU 14 3HD1 LEU 14 -5.114 -11.841 -4.887 89 HD21 LEU 14 3HD2 LEU 14 -7.071 -12.269 -2.483 90 HD22 LEU 14 1HD2 LEU 14 -6.920 -11.221 -3.899 91 HD23 LEU 14 2HD2 LEU 14 -6.998 -10.502 -2.275 92 H GLU 15 H GLU 15 -6.756 -9.835 0.530 93 HA GLU 15 HA GLU 15 -8.445 -12.097 1.013 94 HB2 GLU 15 1HB GLU 15 -7.547 -11.498 3.150 95 HB3 GLU 15 2HB GLU 15 -7.982 -9.809 2.870 96 HG2 GLU 15 1HG GLU 15 -9.183 -11.199 4.486 97 HG3 GLU 15 2HG GLU 15 -10.086 -10.125 3.398 98 H GLN 16 H GLN 16 -9.676 -11.788 -0.706 99 HA GLN 16 HA GLN 16 -10.112 -9.519 -2.138 100 HB2 GLN 16 1HB GLN 16 -12.060 -11.803 -2.107 101 HB3 GLN 16 2HB GLN 16 -11.748 -10.623 -3.381 102 HG2 GLN 16 1HG GLN 16 -9.489 -11.523 -3.669 103 HG3 GLN 16 2HG GLN 16 -9.831 -12.723 -2.412 104 HE21 GLN 16 1HE2 GLN 16 -11.278 -14.369 -2.882 105 HE22 GLN 16 2HE2 GLN 16 -11.679 -14.738 -4.533 106 H GLY 17 H GLY 17 -12.040 -10.787 0.512 107 HA2 GLY 17 1HA GLY 17 -14.431 -9.420 0.141 108 HA3 GLY 17 2HA GLY 17 -13.798 -9.954 1.701 109 H ASN 18 H ASN 18 -11.551 -8.427 1.962 110 HA ASN 18 HA ASN 18 -12.679 -5.903 2.755 111 HB2 ASN 18 1HB ASN 18 -9.805 -6.748 2.559 112 HB3 ASN 18 2HB ASN 18 -10.309 -5.159 3.088 113 HD21 ASN 18 1HD2 ASN 18 -8.736 -6.865 4.407 114 HD22 ASN 18 2HD2 ASN 18 -9.511 -7.264 5.908 115 H LEU 19 H LEU 19 -10.775 -7.033 0.129 116 HA LEU 19 HA LEU 19 -9.736 -4.697 -0.883 117 HG LEU 19 HG LEU 19 -8.396 -7.747 -2.577 118 HB2 LEU 19 1HB LEU 19 -10.576 -7.243 -2.206 119 HB3 LEU 19 2HB LEU 19 -10.016 -5.876 -3.162 120 HD11 LEU 19 1HD1 LEU 19 -7.772 -4.845 -2.096 121 HD12 LEU 19 2HD1 LEU 19 -7.628 -5.768 -3.625 122 HD13 LEU 19 3HD1 LEU 19 -6.549 -6.111 -2.253 123 HD21 LEU 19 3HD2 LEU 19 -7.136 -7.421 -0.523 124 HD22 LEU 19 1HD2 LEU 19 -8.824 -7.840 -0.213 125 HD23 LEU 19 2HD2 LEU 19 -8.284 -6.163 -0.049 126 H LYS 20 H LYS 20 -12.903 -6.152 -1.841 127 HA LYS 20 HA LYS 20 -13.643 -4.027 -3.550 128 HB2 LYS 20 1HB LYS 20 -15.517 -5.606 -1.781 129 HB3 LYS 20 2HB LYS 20 -15.824 -4.975 -3.386 130 HG2 LYS 20 1HG LYS 20 -14.006 -7.333 -2.778 131 HG3 LYS 20 2HG LYS 20 -15.682 -7.436 -3.337 132 HD2 LYS 20 1HD LYS 20 -13.462 -6.107 -4.812 133 HD3 LYS 20 2HD LYS 20 -13.937 -7.799 -5.027 134 HE2 LYS 20 1HE LYS 20 -15.749 -5.416 -5.425 135 HE3 LYS 20 2HE LYS 20 -14.864 -6.280 -6.696 136 HZ1 LYS 20 3HZ LYS 20 -17.154 -7.009 -6.552 137 HZ2 LYS 20 1HZ LYS 20 -16.958 -7.475 -4.942 138 HZ3 LYS 20 2HZ LYS 20 -16.107 -8.257 -6.182 139 H LYS 21 H LYS 21 -13.858 -4.360 -0.031 140 HA LYS 21 HA LYS 21 -15.738 -2.187 0.259 141 HB2 LYS 21 1HB LYS 21 -14.071 -3.401 2.435 142 HB3 LYS 21 2HB LYS 21 -15.673 -2.690 2.554 143 HG2 LYS 21 1HG LYS 21 -15.025 -5.245 1.141 144 HG3 LYS 21 2HG LYS 21 -15.632 -5.147 2.794 145 HD2 LYS 21 1HD LYS 21 -17.658 -4.094 1.955 146 HD3 LYS 21 2HD LYS 21 -16.975 -4.134 0.318 147 HE2 LYS 21 1HE LYS 21 -16.934 -6.550 0.356 148 HE3 LYS 21 2HE LYS 21 -17.527 -6.559 2.014 149 HZ1 LYS 21 3HZ LYS 21 -19.575 -5.592 1.273 150 HZ2 LYS 21 1HZ LYS 21 -19.262 -6.998 0.396 151 HZ3 LYS 21 2HZ LYS 21 -19.010 -5.500 -0.322 152 H ALA 22 H ALA 22 -12.248 -2.690 0.615 153 HA ALA 22 HA ALA 22 -11.979 -0.136 1.885 154 HB1 ALA 22 3HB ALA 22 -10.600 -2.101 2.573 155 HB2 ALA 22 1HB ALA 22 -9.633 -0.712 2.078 156 HB3 ALA 22 2HB ALA 22 -9.858 -2.087 0.997 157 H LEU 23 H LEU 23 -11.656 -1.479 -1.332 158 HA LEU 23 HA LEU 23 -10.258 0.867 -2.352 159 HG LEU 23 HG LEU 23 -10.434 -2.541 -3.074 160 HB2 LEU 23 1HB LEU 23 -11.869 -1.056 -4.009 161 HB3 LEU 23 2HB LEU 23 -10.581 0.021 -4.540 162 HD11 LEU 23 1HD1 LEU 23 -9.299 -1.677 -5.662 163 HD12 LEU 23 2HD1 LEU 23 -10.550 -2.874 -5.324 164 HD13 LEU 23 3HD1 LEU 23 -8.885 -3.158 -4.806 165 HD21 LEU 23 3HD2 LEU 23 -7.989 -2.309 -2.889 166 HD22 LEU 23 1HD2 LEU 23 -8.905 -1.217 -1.855 167 HD23 LEU 23 2HD2 LEU 23 -8.144 -0.596 -3.334 168 H VAL 24 H VAL 24 -13.418 0.142 -1.627 169 HA VAL 24 HA VAL 24 -14.833 2.063 -3.048 170 HB VAL 24 HB VAL 24 -15.091 1.174 -0.174 171 HG11 VAL 24 1HG1 VAL 24 -15.872 3.443 -0.274 172 HG12 VAL 24 2HG1 VAL 24 -17.242 2.340 -0.061 173 HG13 VAL 24 3HG1 VAL 24 -16.910 3.071 -1.650 174 HG21 VAL 24 3HG2 VAL 24 -16.772 0.736 -2.621 175 HG22 VAL 24 1HG2 VAL 24 -17.110 0.085 -1.013 176 HG23 VAL 24 2HG2 VAL 24 -15.657 -0.419 -1.889 177 H ASN 25 H ASN 25 -12.713 2.525 -0.292 178 HA ASN 25 HA ASN 25 -13.243 5.415 -0.379 179 HB2 ASN 25 1HB ASN 25 -12.533 3.564 1.865 180 HB3 ASN 25 2HB ASN 25 -12.349 5.316 2.002 181 HD21 ASN 25 1HD2 ASN 25 -14.127 3.281 3.283 182 HD22 ASN 25 2HD2 ASN 25 -15.726 3.935 3.136 183 H VAL 26 H VAL 26 -11.214 3.739 -1.861 184 HA VAL 26 HA VAL 26 -8.743 4.648 -0.604 185 HB VAL 26 HB VAL 26 -7.506 3.703 -2.511 186 HG11 VAL 26 1HG1 VAL 26 -7.921 1.378 -1.961 187 HG12 VAL 26 2HG1 VAL 26 -9.304 1.913 -0.959 188 HG13 VAL 26 3HG1 VAL 26 -7.657 2.455 -0.593 189 HG21 VAL 26 3HG2 VAL 26 -9.148 3.830 -4.232 190 HG22 VAL 26 1HG2 VAL 26 -10.202 2.715 -3.367 191 HG23 VAL 26 2HG2 VAL 26 -8.659 2.153 -4.011 192 H GLU 27 H GLU 27 -7.301 5.949 -1.294 193 HA GLU 27 HA GLU 27 -7.781 7.494 -3.697 194 HB2 GLU 27 1HB GLU 27 -5.810 8.803 -2.765 195 HB3 GLU 27 2HB GLU 27 -7.387 9.157 -2.092 196 HG2 GLU 27 1HG GLU 27 -5.477 7.202 -0.902 197 HG3 GLU 27 2HG GLU 27 -5.415 8.954 -0.638 198 H TRP 28 H TRP 28 -7.041 6.375 -5.041 199 HA TRP 28 HA TRP 28 -4.868 4.612 -4.996 200 HD1 TRP 28 HD1 TRP 28 -8.511 4.634 -7.091 201 HE1 TRP 28 HE1 TRP 28 -9.293 2.217 -6.715 202 HE3 TRP 28 HE3 TRP 28 -4.019 2.573 -6.107 203 HZ2 TRP 28 HZ2 TRP 28 -8.085 -0.258 -6.134 204 HZ3 TRP 28 HZ3 TRP 28 -3.889 0.157 -5.631 205 HH2 TRP 28 HH2 TRP 28 -5.870 -1.220 -5.630 206 HB2 TRP 28 1HB TRP 28 -6.399 5.843 -7.162 207 HB3 TRP 28 2HB TRP 28 -5.023 4.843 -7.600 208 H ASN 29 H ASN 29 -2.900 4.788 -5.072 209 HA ASN 29 HA ASN 29 -0.782 5.374 -5.391 210 HB2 ASN 29 1HB ASN 29 -1.711 5.986 -7.652 211 HB3 ASN 29 2HB ASN 29 -1.554 7.675 -7.193 212 HD21 ASN 29 1HD2 ASN 29 0.060 4.898 -8.176 213 HD22 ASN 29 2HD2 ASN 29 1.657 5.570 -8.122 214 H ILE 30 H ILE 30 -2.712 6.632 -3.600 215 HA ILE 30 HA ILE 30 -0.909 8.687 -2.557 216 HB ILE 30 HB ILE 30 -3.918 8.578 -2.209 217 HG12 ILE 30 1HG1 ILE 30 -2.235 10.581 -3.720 218 HG13 ILE 30 2HG1 ILE 30 -3.314 9.381 -4.453 219 HG21 ILE 30 1HG2 ILE 30 -1.924 10.608 -1.144 220 HG22 ILE 30 2HG2 ILE 30 -2.815 9.431 -0.186 221 HG23 ILE 30 3HG2 ILE 30 -3.674 10.734 -0.975 222 HD11 ILE 30 3HD1 ILE 30 -5.208 10.564 -3.410 223 HD12 ILE 30 1HD1 ILE 30 -4.262 11.611 -4.472 224 HD13 ILE 30 2HD1 ILE 30 -4.061 11.712 -2.722 225 H CYS 31 H CYS 31 0.107 7.462 -1.108 226 HA CYS 31 HA CYS 31 -0.927 5.459 0.480 227 HB2 CYS 31 1HB CYS 31 1.380 5.765 0.694 228 HB3 CYS 31 2HB CYS 31 1.292 7.471 1.073 229 H GLN 32 H GLN 32 -2.795 5.548 1.343 230 HA GLN 32 HA GLN 32 -4.025 7.901 2.332 231 HB2 GLN 32 1HB GLN 32 -5.767 6.395 3.179 232 HB3 GLN 32 2HB GLN 32 -5.447 6.123 1.470 233 HG2 GLN 32 1HG GLN 32 -4.190 4.168 2.015 234 HG3 GLN 32 2HG GLN 32 -4.508 4.431 3.747 235 HE21 GLN 32 1HE2 GLN 32 -5.907 3.653 0.660 236 HE22 GLN 32 2HE2 GLN 32 -7.420 3.126 1.301 237 H ASP 33 H ASP 33 -1.835 5.803 3.629 238 HA ASP 33 HA ASP 33 -2.510 6.344 6.381 239 HB2 ASP 33 1HB ASP 33 -1.282 4.295 5.369 240 HB3 ASP 33 2HB ASP 33 0.150 5.333 5.415 241 H CYS 34 H CYS 34 -0.873 8.107 3.788 242 HA CYS 34 HA CYS 34 0.752 9.698 5.419 243 HB2 CYS 34 1HB CYS 34 -0.059 9.443 2.625 244 HB3 CYS 34 2HB CYS 34 0.376 11.049 3.160 245 H LYS 35 H LYS 35 -2.446 9.655 4.152 246 HA LYS 35 HA LYS 35 -2.755 12.470 3.997 247 HB2 LYS 35 1HB LYS 35 -4.992 12.127 3.485 248 HB3 LYS 35 2HB LYS 35 -4.047 10.898 2.630 249 HG2 LYS 35 1HG LYS 35 -4.698 9.263 4.302 250 HG3 LYS 35 2HG LYS 35 -5.610 10.514 5.157 251 HD2 LYS 35 1HD LYS 35 -6.091 9.507 2.404 252 HD3 LYS 35 2HD LYS 35 -7.032 9.078 3.850 253 HE2 LYS 35 1HE LYS 35 -7.569 11.558 4.055 254 HE3 LYS 35 2HE LYS 35 -6.831 11.755 2.466 255 HZ1 LYS 35 3HZ LYS 35 -9.211 10.118 3.100 256 HZ2 LYS 35 1HZ LYS 35 -8.390 10.098 1.630 257 HZ3 LYS 35 2HZ LYS 35 -9.166 11.507 2.132 258 H THR 36 H THR 36 -3.419 10.120 6.380 259 HA THR 36 HA THR 36 -4.877 11.943 8.025 260 HB THR 36 HB THR 36 -4.890 9.784 9.511 261 HG1 THR 36 HG1 THR 36 -3.769 8.260 8.679 262 HG21 THR 36 3HG2 THR 36 -6.866 10.699 8.331 263 HG22 THR 36 1HG2 THR 36 -6.834 8.937 8.285 264 HG23 THR 36 2HG2 THR 36 -6.361 9.857 6.863 265 H ASP 37 H ASP 37 -1.865 11.745 7.347 266 HA ASP 37 HA ASP 37 -0.615 11.207 9.894 267 HB2 ASP 37 1HB ASP 37 0.594 11.398 7.431 268 HB3 ASP 37 2HB ASP 37 0.825 13.000 8.083 269 H ASN 38 H ASN 38 -1.775 12.420 11.142 270 HA ASN 38 HA ASN 38 -1.562 15.311 10.914 271 HB2 ASN 38 1HB ASN 38 -3.129 13.640 12.831 272 HB3 ASN 38 2HB ASN 38 -3.006 15.418 12.813 273 HD21 ASN 38 1HD2 ASN 38 -3.067 15.604 9.909 274 HD22 ASN 38 2HD2 ASN 38 -4.692 15.169 9.466 275 H LYS 39 H LYS 39 0.638 13.390 11.875 276 HA LYS 39 HA LYS 39 1.289 14.468 14.480 277 HB2 LYS 39 1HB LYS 39 3.325 13.603 12.422 278 HB3 LYS 39 2HB LYS 39 3.461 13.650 14.173 279 HG2 LYS 39 1HG LYS 39 1.848 11.774 14.242 280 HG3 LYS 39 2HG LYS 39 1.983 11.687 12.476 281 HD2 LYS 39 1HD LYS 39 4.274 11.818 14.260 282 HD3 LYS 39 2HD LYS 39 3.605 10.206 13.817 283 HE2 LYS 39 1HE LYS 39 4.917 12.355 12.093 284 HE3 LYS 39 2HE LYS 39 5.628 10.814 12.540 285 HZ1 LYS 39 3HZ LYS 39 4.885 10.576 10.371 286 HZ2 LYS 39 1HZ LYS 39 3.382 11.302 10.665 287 HZ3 LYS 39 2HZ LYS 39 3.725 9.789 11.299 288 H VAL 40 H VAL 40 2.358 14.796 11.277 289 HA VAL 40 HA VAL 40 3.674 17.301 11.605 290 HB VAL 40 HB VAL 40 4.017 17.273 9.224 291 HG11 VAL 40 1HG1 VAL 40 5.516 15.947 10.519 292 HG12 VAL 40 2HG1 VAL 40 5.205 15.122 8.987 293 HG13 VAL 40 3HG1 VAL 40 4.417 14.570 10.466 294 HG21 VAL 40 3HG2 VAL 40 2.190 14.874 9.133 295 HG22 VAL 40 1HG2 VAL 40 3.128 15.504 7.770 296 HG23 VAL 40 2HG2 VAL 40 1.850 16.485 8.498 297 H LYS 41 H LYS 41 3.064 19.230 10.718 298 HA LYS 41 HA LYS 41 0.151 19.645 10.559 299 HB2 LYS 41 1HB LYS 41 2.404 21.566 11.107 300 HB3 LYS 41 2HB LYS 41 0.704 22.045 10.956 301 HG2 LYS 41 1HG LYS 41 1.956 20.238 12.993 302 HG3 LYS 41 2HG LYS 41 1.518 21.932 13.226 303 HD2 LYS 41 1HD LYS 41 -0.803 21.369 12.750 304 HD3 LYS 41 2HD LYS 41 -0.341 19.669 12.599 305 HE2 LYS 41 1HE LYS 41 -1.162 19.992 14.831 306 HE3 LYS 41 2HE LYS 41 0.600 19.783 14.827 307 HZ1 LYS 41 3HZ LYS 41 -0.084 21.576 16.321 308 HZ2 LYS 41 1HZ LYS 41 -0.776 22.404 15.031 309 HZ3 LYS 41 2HZ LYS 41 0.884 22.155 15.078 310 H ASP 42 H ASP 42 3.156 20.205 8.903 311 HA ASP 42 HA ASP 42 2.258 22.106 7.056 312 HB2 ASP 42 1HB ASP 42 4.629 20.259 6.841 313 HB3 ASP 42 2HB ASP 42 4.327 21.665 5.811 314 H LYS 43 H LYS 43 3.304 18.810 6.116 315 HA LYS 43 HA LYS 43 2.629 17.444 4.473 316 HB2 LYS 43 1HB LYS 43 0.061 18.846 5.072 317 HB3 LYS 43 2HB LYS 43 0.164 17.696 3.735 318 HG2 LYS 43 1HG LYS 43 0.764 15.973 5.125 319 HG3 LYS 43 2HG LYS 43 0.899 16.958 6.568 320 HD2 LYS 43 1HD LYS 43 -1.474 17.438 6.470 321 HD3 LYS 43 2HD LYS 43 -1.596 16.574 4.932 322 HE2 LYS 43 1HE LYS 43 -0.829 15.420 7.591 323 HE3 LYS 43 2HE LYS 43 -2.329 15.136 6.699 324 HZ1 LYS 43 3HZ LYS 43 0.392 14.375 5.723 325 HZ2 LYS 43 1HZ LYS 43 -1.027 14.154 4.919 326 HZ3 LYS 43 2HZ LYS 43 -0.732 13.312 6.321 327 H ALA 44 H ALA 44 3.650 20.127 3.970 328 HA ALA 44 HA ALA 44 2.562 21.071 1.493 329 HB1 ALA 44 3HB ALA 44 5.179 21.652 2.820 330 HB2 ALA 44 1HB ALA 44 3.683 22.557 3.084 331 HB3 ALA 44 2HB ALA 44 4.465 22.580 1.493 332 H GLU 45 H GLU 45 5.342 19.200 2.503 333 HA GLU 45 HA GLU 45 6.462 18.993 -0.138 334 HB2 GLU 45 1HB GLU 45 7.091 17.470 2.387 335 HB3 GLU 45 2HB GLU 45 8.093 17.522 0.934 336 HG2 GLU 45 1HG GLU 45 8.455 19.908 1.285 337 HG3 GLU 45 2HG GLU 45 7.444 19.855 2.728 338 H GLU 46 H GLU 46 4.114 17.428 1.702 339 HA GLU 46 HA GLU 46 4.299 14.775 0.757 340 HB2 GLU 46 1HB GLU 46 3.409 15.727 2.952 341 HB3 GLU 46 2HB GLU 46 1.959 16.146 2.032 342 HG2 GLU 46 1HG GLU 46 1.794 13.791 1.390 343 HG3 GLU 46 2HG GLU 46 3.146 13.482 2.499 344 H GLU 47 H GLU 47 4.279 16.258 -1.482 345 HA GLU 47 HA GLU 47 1.852 15.386 -2.725 346 HB2 GLU 47 1HB GLU 47 1.655 17.483 -4.051 347 HB3 GLU 47 2HB GLU 47 1.192 17.628 -2.347 348 HG2 GLU 47 1HG GLU 47 3.278 18.657 -1.867 349 HG3 GLU 47 2HG GLU 47 3.802 18.405 -3.543 350 H THR 48 H THR 48 4.974 17.021 -3.372 351 HA THR 48 HA THR 48 5.498 14.941 -5.296 352 HB THR 48 HB THR 48 4.171 16.598 -6.504 353 HG1 THR 48 HG1 THR 48 6.902 16.403 -7.357 354 HG21 THR 48 3HG2 THR 48 6.500 18.452 -5.995 355 HG22 THR 48 1HG2 THR 48 4.852 18.642 -5.397 356 HG23 THR 48 2HG2 THR 48 5.185 18.784 -7.123 357 H GLU 49 H GLU 49 6.630 16.507 -2.823 358 HA GLU 49 HA GLU 49 9.169 17.205 -4.008 359 HB2 GLU 49 1HB GLU 49 8.220 17.566 -1.183 360 HB3 GLU 49 2HB GLU 49 9.792 18.107 -1.802 361 HG2 GLU 49 1HG GLU 49 8.582 19.442 -3.493 362 HG3 GLU 49 2HG GLU 49 7.082 18.985 -2.706 363 H GLU 50 H GLU 50 7.960 14.578 -3.217 364 HA GLU 50 HA GLU 50 10.433 13.250 -3.261 365 HB2 GLU 50 1HB GLU 50 10.076 11.799 -1.289 366 HB3 GLU 50 2HB GLU 50 10.252 13.473 -0.804 367 HG2 GLU 50 1HG GLU 50 7.816 13.624 -0.519 368 HG3 GLU 50 2HG GLU 50 7.670 11.930 -0.984 369 H LYS 51 H LYS 51 10.135 11.233 -4.197 370 HA LYS 51 HA LYS 51 7.384 10.609 -4.737 371 HB2 LYS 51 1HB LYS 51 8.201 9.592 -6.903 372 HB3 LYS 51 2HB LYS 51 8.095 11.355 -6.875 373 HG2 LYS 51 1HG LYS 51 10.557 9.778 -6.382 374 HG3 LYS 51 2HG LYS 51 10.047 10.192 -8.021 375 HD2 LYS 51 1HD LYS 51 10.542 12.131 -5.807 376 HD3 LYS 51 2HD LYS 51 11.782 11.728 -7.014 377 HE2 LYS 51 1HE LYS 51 10.902 13.689 -7.922 378 HE3 LYS 51 2HE LYS 51 9.863 12.489 -8.675 379 HZ1 LYS 51 3HZ LYS 51 8.597 14.326 -7.880 380 HZ2 LYS 51 1HZ LYS 51 9.188 14.178 -6.320 381 HZ3 LYS 51 2HZ LYS 51 8.144 13.005 -6.985 382 HA PRO 52 HA PRO 52 9.042 6.828 -2.877 383 HB2 PRO 52 1HB PRO 52 7.026 6.463 -1.220 384 HB3 PRO 52 2HB PRO 52 8.168 7.797 -0.916 385 HG2 PRO 52 1HG PRO 52 5.451 7.848 -2.184 386 HG3 PRO 52 2HG PRO 52 6.099 8.892 -0.900 387 HD2 PRO 52 1HD PRO 52 6.126 9.620 -3.575 388 HD3 PRO 52 2HD PRO 52 7.298 10.138 -2.327 389 H SER 53 H SER 53 8.092 4.701 -2.829 390 HA SER 53 HA SER 53 6.389 4.145 -5.004 391 HG SER 53 HG SER 53 8.932 2.099 -2.796 392 HB2 SER 53 1HB SER 53 6.813 1.826 -3.943 393 HB3 SER 53 2HB SER 53 8.178 2.684 -4.686 394 H VAL 54 H VAL 54 4.391 3.342 -4.786 395 HA VAL 54 HA VAL 54 3.169 3.764 -2.143 396 HB VAL 54 HB VAL 54 1.691 4.253 -4.781 397 HG11 VAL 54 1HG1 VAL 54 0.332 3.323 -2.962 398 HG12 VAL 54 2HG1 VAL 54 -0.115 4.945 -3.511 399 HG13 VAL 54 3HG1 VAL 54 0.757 4.740 -1.980 400 HG21 VAL 54 3HG2 VAL 54 3.353 5.986 -4.204 401 HG22 VAL 54 1HG2 VAL 54 2.558 6.179 -2.636 402 HG23 VAL 54 2HG2 VAL 54 1.677 6.556 -4.119 403 H TRP 55 H TRP 55 2.836 1.996 -1.337 404 HA TRP 55 HA TRP 55 2.293 -0.347 -2.974 405 HD1 TRP 55 HD1 TRP 55 5.385 1.245 -0.570 406 HE1 TRP 55 HE1 TRP 55 7.572 0.703 -1.787 407 HE3 TRP 55 HE3 TRP 55 3.907 -2.941 -3.068 408 HZ2 TRP 55 HZ2 TRP 55 8.560 -1.255 -3.573 409 HZ3 TRP 55 HZ3 TRP 55 5.528 -4.089 -4.512 410 HH2 TRP 55 HH2 TRP 55 7.808 -3.261 -4.761 411 HB2 TRP 55 1HB TRP 55 3.213 -0.089 -0.116 412 HB3 TRP 55 2HB TRP 55 2.985 -1.624 -0.947 413 H LEU 56 H LEU 56 0.419 -1.122 -3.074 414 HA LEU 56 HA LEU 56 -1.593 -0.398 -1.095 415 HG LEU 56 HG LEU 56 -3.662 -1.944 -1.580 416 HB2 LEU 56 1HB LEU 56 -2.358 -0.076 -3.352 417 HB3 LEU 56 2HB LEU 56 -1.992 -1.756 -3.762 418 HD11 LEU 56 1HD1 LEU 56 -5.655 -0.678 -2.131 419 HD12 LEU 56 2HD1 LEU 56 -4.729 0.212 -3.338 420 HD13 LEU 56 3HD1 LEU 56 -4.294 0.323 -1.633 421 HD21 LEU 56 3HD2 LEU 56 -4.290 -2.207 -4.502 422 HD22 LEU 56 1HD2 LEU 56 -5.310 -2.808 -3.175 423 HD23 LEU 56 2HD2 LEU 56 -3.670 -3.430 -3.384 424 H CYS 57 H CYS 57 -2.029 -1.771 0.420 425 HA CYS 57 HA CYS 57 -1.015 -4.429 0.736 426 HB2 CYS 57 1HB CYS 57 -1.646 -2.689 2.484 427 HB3 CYS 57 2HB CYS 57 -3.306 -3.093 2.104 428 H LEU 58 H LEU 58 -1.741 -6.069 -0.593 429 HA LEU 58 HA LEU 58 -4.279 -6.065 -1.868 430 HG LEU 58 HG LEU 58 -1.879 -5.775 -2.915 431 HB2 LEU 58 1HB LEU 58 -2.037 -8.004 -1.508 432 HB3 LEU 58 2HB LEU 58 -3.425 -8.296 -2.550 433 HD11 LEU 58 1HD1 LEU 58 -0.462 -6.831 -4.489 434 HD12 LEU 58 2HD1 LEU 58 -1.140 -8.432 -4.116 435 HD13 LEU 58 3HD1 LEU 58 -0.202 -7.536 -2.892 436 HD21 LEU 58 3HD2 LEU 58 -3.947 -6.064 -4.052 437 HD22 LEU 58 1HD2 LEU 58 -3.396 -7.650 -4.631 438 HD23 LEU 58 2HD2 LEU 58 -2.567 -6.190 -5.170 439 H LYS 59 H LYS 59 -3.373 -6.752 1.048 440 HA LYS 59 HA LYS 59 -5.277 -8.841 1.581 441 HB2 LYS 59 1HB LYS 59 -3.251 -8.853 2.845 442 HB3 LYS 59 2HB LYS 59 -3.575 -7.232 3.472 443 HG2 LYS 59 1HG LYS 59 -4.127 -8.778 5.195 444 HG3 LYS 59 2HG LYS 59 -5.549 -8.044 4.392 445 HD2 LYS 59 1HD LYS 59 -6.132 -9.957 3.287 446 HD3 LYS 59 2HD LYS 59 -4.592 -10.732 3.414 447 HE2 LYS 59 1HE LYS 59 -6.168 -11.862 4.778 448 HE3 LYS 59 2HE LYS 59 -4.979 -11.058 5.834 449 HZ1 LYS 59 3HZ LYS 59 -7.386 -11.038 6.438 450 HZ2 LYS 59 1HZ LYS 59 -7.702 -9.955 5.243 451 HZ3 LYS 59 2HZ LYS 59 -6.705 -9.576 6.585 452 H CYS 60 H CYS 60 -5.091 -5.489 2.145 453 HA CYS 60 HA CYS 60 -7.951 -5.532 2.854 454 HB2 CYS 60 1HB CYS 60 -7.673 -3.714 4.440 455 HB3 CYS 60 2HB CYS 60 -6.619 -5.072 4.853 456 H GLY 61 H GLY 61 -5.533 -3.615 1.242 457 HA2 GLY 61 1HA GLY 61 -6.208 -2.331 -0.667 458 HA3 GLY 61 2HA GLY 61 -7.746 -1.992 0.150 459 H HIS 62 H HIS 62 -4.939 -1.901 1.967 460 HA HIS 62 HA HIS 62 -4.984 0.991 2.480 461 HD1 HIS 62 HD1 HIS 62 -2.947 1.742 5.473 462 HD2 HIS 62 HD2 HIS 62 -0.846 -0.701 2.847 463 HE1 HIS 62 HE1 HIS 62 -0.475 2.383 5.639 464 HB2 HIS 62 1HB HIS 62 -4.391 -0.113 4.429 465 HB3 HIS 62 2HB HIS 62 -3.539 -1.392 3.570 466 H GLN 63 H GLN 63 -3.839 2.489 1.621 467 HA GLN 63 HA GLN 63 -1.526 1.618 0.101 468 HB2 GLN 63 1HB GLN 63 -2.969 4.232 -0.200 469 HB3 GLN 63 2HB GLN 63 -1.365 3.951 -0.861 470 HG2 GLN 63 1HG GLN 63 -2.413 3.353 -2.629 471 HG3 GLN 63 2HG GLN 63 -2.672 1.826 -1.796 472 HE21 GLN 63 1HE2 GLN 63 -4.329 3.098 -3.793 473 HE22 GLN 63 2HE2 GLN 63 -5.900 3.294 -3.065 474 H GLY 64 H GLY 64 0.224 1.887 0.754 475 HA2 GLY 64 1HA GLY 64 0.959 3.974 2.680 476 HA3 GLY 64 2HA GLY 64 1.483 2.291 2.843 477 H CYS 65 H CYS 65 3.032 4.598 2.621 478 HA CYS 65 HA CYS 65 4.106 4.406 -0.034 479 HB2 CYS 65 1HB CYS 65 5.423 6.441 0.656 480 HB3 CYS 65 2HB CYS 65 3.671 6.630 0.771 481 H GLY 66 H GLY 66 6.094 3.571 -0.401 482 HA2 GLY 66 1HA GLY 66 6.978 1.606 1.450 483 HA3 GLY 66 2HA GLY 66 7.685 1.968 -0.123 484 H ARG 67 H ARG 67 9.673 1.559 0.773 485 HA ARG 67 HA ARG 67 10.742 2.793 3.106 486 HE ARG 67 HE ARG 67 14.006 0.238 2.989 487 HB2 ARG 67 1HB ARG 67 12.255 1.541 0.820 488 HB3 ARG 67 2HB ARG 67 12.805 1.753 2.476 489 HG2 ARG 67 1HG ARG 67 10.959 0.226 3.200 490 HG3 ARG 67 2HG ARG 67 10.632 -0.043 1.486 491 HD2 ARG 67 1HD ARG 67 11.997 -1.835 2.415 492 HD3 ARG 67 2HD ARG 67 12.867 -0.928 1.172 493 HH11 ARG 67 1HH1 ARG 67 12.525 -2.901 3.791 494 HH12 ARG 67 2HH1 ARG 67 13.611 -3.200 5.078 495 HH21 ARG 67 1HH2 ARG 67 15.468 -0.232 4.690 496 HH22 ARG 67 2HH2 ARG 67 15.322 -1.669 5.603 497 H ASN 68 H ASN 68 10.352 3.770 -0.047 498 HA ASN 68 HA ASN 68 12.615 5.590 -0.153 499 HB2 ASN 68 1HB ASN 68 10.357 5.199 -2.086 500 HB3 ASN 68 2HB ASN 68 11.879 6.044 -2.418 501 HD21 ASN 68 1HD2 ASN 68 10.676 3.770 -3.730 502 HD22 ASN 68 2HD2 ASN 68 11.786 2.457 -3.587 503 H SER 69 H SER 69 10.113 5.864 1.651 504 HA SER 69 HA SER 69 9.502 8.599 0.832 505 HG SER 69 HG SER 69 8.016 5.643 2.438 506 HB2 SER 69 1HB SER 69 7.480 8.395 2.188 507 HB3 SER 69 2HB SER 69 7.515 7.149 0.927 508 H GLN 70 H GLN 70 9.016 9.939 2.846 509 HA GLN 70 HA GLN 70 11.201 9.873 4.635 510 HB2 GLN 70 1HB GLN 70 10.112 11.953 3.995 511 HB3 GLN 70 2HB GLN 70 8.602 11.407 4.728 512 HG2 GLN 70 1HG GLN 70 9.729 13.059 6.112 513 HG3 GLN 70 2HG GLN 70 9.631 11.499 6.924 514 HE21 GLN 70 1HE2 GLN 70 11.482 10.363 7.312 515 HE22 GLN 70 2HE2 GLN 70 13.069 11.054 7.142 516 H GLU 71 H GLU 71 7.923 8.639 4.830 517 HA GLU 71 HA GLU 71 8.275 8.175 7.713 518 HB2 GLU 71 1HB GLU 71 5.787 8.043 6.065 519 HB3 GLU 71 2HB GLU 71 5.887 7.790 7.804 520 HG2 GLU 71 1HG GLU 71 6.640 10.343 6.402 521 HG3 GLU 71 2HG GLU 71 5.093 10.021 7.209 522 H GLN 72 H GLN 72 7.686 6.340 4.710 523 HA GLN 72 HA GLN 72 7.508 4.149 4.254 524 HB2 GLN 72 1HB GLN 72 9.757 4.408 5.216 525 HB3 GLN 72 2HB GLN 72 9.208 3.748 6.747 526 HG2 GLN 72 1HG GLN 72 8.556 1.705 5.665 527 HG3 GLN 72 2HG GLN 72 9.053 2.441 4.121 528 HE21 GLN 72 1HE2 GLN 72 11.337 3.734 4.999 529 HE22 GLN 72 2HE2 GLN 72 12.486 2.512 5.392 530 H HIS 73 H HIS 73 5.254 5.092 5.245 531 HA HIS 73 HA HIS 73 4.173 3.998 7.474 532 HD2 HIS 73 HD2 HIS 73 3.255 6.033 8.697 533 HE1 HIS 73 HE1 HIS 73 2.527 9.368 6.142 534 HE2 HIS 73 HE2 HIS 73 2.858 8.649 8.594 535 HB2 HIS 73 1HB HIS 73 3.136 4.991 4.862 536 HB3 HIS 73 2HB HIS 73 2.078 4.385 6.128 537 H ALA 74 H ALA 74 4.637 2.667 4.264 538 HA ALA 74 HA ALA 74 2.835 0.398 4.362 539 HB1 ALA 74 3HB ALA 74 5.466 0.658 2.915 540 HB2 ALA 74 1HB ALA 74 3.927 1.237 2.283 541 HB3 ALA 74 2HB ALA 74 4.172 -0.487 2.571 542 H LEU 75 H LEU 75 6.089 0.825 5.628 543 HA LEU 75 HA LEU 75 5.954 -1.949 6.202 544 HG LEU 75 HG LEU 75 7.920 -2.763 5.304 545 HB2 LEU 75 1HB LEU 75 8.185 -0.031 6.516 546 HB3 LEU 75 2HB LEU 75 8.189 -1.523 7.459 547 HD11 LEU 75 1HD1 LEU 75 7.136 -0.929 3.894 548 HD12 LEU 75 2HD1 LEU 75 8.547 -1.762 3.259 549 HD13 LEU 75 3HD1 LEU 75 8.736 -0.164 4.024 550 HD21 LEU 75 3HD2 LEU 75 9.952 -2.599 6.523 551 HD22 LEU 75 1HD2 LEU 75 10.319 -1.088 5.677 552 HD23 LEU 75 2HD2 LEU 75 10.255 -2.618 4.760 553 H LYS 76 H LYS 76 5.645 1.098 8.111 554 HA LYS 76 HA LYS 76 5.350 -0.040 10.516 555 HB2 LYS 76 1HB LYS 76 3.673 2.093 9.238 556 HB3 LYS 76 2HB LYS 76 3.825 1.793 10.976 557 HG2 LYS 76 1HG LYS 76 6.239 2.249 10.761 558 HG3 LYS 76 2HG LYS 76 5.956 2.686 9.068 559 HD2 LYS 76 1HD LYS 76 6.001 4.675 10.167 560 HD3 LYS 76 2HD LYS 76 4.273 4.353 9.977 561 HE2 LYS 76 1HE LYS 76 5.807 3.722 12.515 562 HE3 LYS 76 2HE LYS 76 4.959 5.245 12.249 563 HZ1 LYS 76 3HZ LYS 76 3.635 3.778 13.555 564 HZ2 LYS 76 1HZ LYS 76 3.696 2.533 12.448 565 HZ3 LYS 76 2HZ LYS 76 2.873 3.956 12.099 566 H HIS 77 H HIS 77 3.216 -0.079 7.710 567 HA HIS 77 HA HIS 77 0.946 -1.137 9.144 568 HD1 HIS 77 HD1 HIS 77 -1.729 -0.212 8.002 569 HD2 HIS 77 HD2 HIS 77 -0.272 -3.206 5.506 570 HE1 HIS 77 HE1 HIS 77 -3.712 -1.529 7.310 571 HB2 HIS 77 1HB HIS 77 0.720 0.209 7.116 572 HB3 HIS 77 2HB HIS 77 1.465 -1.085 6.164 573 H TYR 78 H TYR 78 3.660 -2.480 7.373 574 HA TYR 78 HA TYR 78 2.620 -5.130 7.688 575 HD1 TYR 78 HD1 TYR 78 3.270 -7.153 6.640 576 HD2 TYR 78 HD2 TYR 78 7.053 -5.710 7.958 577 HE1 TYR 78 HE1 TYR 78 4.025 -9.463 6.998 578 HE2 TYR 78 HE2 TYR 78 7.813 -8.014 8.307 579 HH TYR 78 HH TYR 78 6.104 -10.716 7.122 580 HB2 TYR 78 1HB TYR 78 4.275 -4.699 6.077 581 HB3 TYR 78 2HB TYR 78 5.443 -4.155 7.297 582 H LEU 79 H LEU 79 4.612 -3.037 9.790 583 HA LEU 79 HA LEU 79 5.160 -5.182 11.532 584 HG LEU 79 HG LEU 79 6.979 -3.004 10.028 585 HB2 LEU 79 1HB LEU 79 5.586 -2.216 11.792 586 HB3 LEU 79 2HB LEU 79 6.210 -3.438 12.904 587 HD11 LEU 79 1HD1 LEU 79 9.193 -2.573 10.949 588 HD12 LEU 79 2HD1 LEU 79 8.548 -2.757 12.580 589 HD13 LEU 79 3HD1 LEU 79 7.988 -1.437 11.552 590 HD21 LEU 79 3HD2 LEU 79 7.819 -5.190 11.922 591 HD22 LEU 79 1HD2 LEU 79 8.551 -4.874 10.337 592 HD23 LEU 79 2HD2 LEU 79 6.852 -5.351 10.455 593 H THR 80 H THR 80 2.551 -3.463 10.921 594 HA THR 80 HA THR 80 1.450 -2.692 13.440 595 HB THR 80 HB THR 80 -0.002 -3.733 10.998 596 HG1 THR 80 HG1 THR 80 1.413 -1.617 11.228 597 HG21 THR 80 3HG2 THR 80 -1.450 -3.817 12.962 598 HG22 THR 80 1HG2 THR 80 -1.966 -2.529 11.876 599 HG23 THR 80 2HG2 THR 80 -1.066 -2.136 13.344 600 HA PRO 81 HA PRO 81 1.024 -6.835 15.124 601 HB2 PRO 81 1HB PRO 81 0.216 -6.168 17.590 602 HB3 PRO 81 2HB PRO 81 1.900 -5.980 17.062 603 HG2 PRO 81 1HG PRO 81 -0.268 -3.958 17.256 604 HG3 PRO 81 2HG PRO 81 1.464 -3.900 17.717 605 HD2 PRO 81 1HD PRO 81 0.458 -2.822 15.377 606 HD3 PRO 81 2HD PRO 81 2.138 -3.382 15.578 607 H ARG 82 H ARG 82 -0.466 -7.917 14.681 608 HA ARG 82 HA ARG 82 -3.255 -7.642 15.420 609 HE ARG 82 HE ARG 82 -1.169 -7.851 9.782 610 HB2 ARG 82 1HB ARG 82 -4.023 -7.827 12.990 611 HB3 ARG 82 2HB ARG 82 -3.359 -6.254 13.465 612 HG2 ARG 82 1HG ARG 82 -1.261 -6.802 12.479 613 HG3 ARG 82 2HG ARG 82 -1.829 -8.430 12.102 614 HD2 ARG 82 1HD ARG 82 -3.369 -7.569 10.516 615 HD3 ARG 82 2HD ARG 82 -2.980 -5.884 10.933 616 HH11 ARG 82 1HH1 ARG 82 -2.355 -4.518 9.929 617 HH12 ARG 82 2HH1 ARG 82 -0.969 -3.854 9.172 618 HH21 ARG 82 1HH2 ARG 82 0.655 -6.942 8.612 619 HH22 ARG 82 2HH2 ARG 82 0.744 -5.240 8.413 620 H SER 83 H SER 83 -4.480 -9.615 14.072 621 HA SER 83 HA SER 83 -2.796 -11.913 14.571 622 HG SER 83 HG SER 83 -6.792 -12.049 14.023 623 HB2 SER 83 1HB SER 83 -4.988 -13.156 14.192 624 HB3 SER 83 2HB SER 83 -4.937 -12.074 15.583 625 H GLU 84 H GLU 84 -4.234 -10.215 11.953 626 HA GLU 84 HA GLU 84 -3.678 -12.222 9.930 627 HB2 GLU 84 1HB GLU 84 -4.336 -9.293 9.637 628 HB3 GLU 84 2HB GLU 84 -4.386 -10.556 8.402 629 HG2 GLU 84 1HG GLU 84 -6.315 -11.462 9.223 630 HG3 GLU 84 2HG GLU 84 -6.091 -10.769 10.833 631 HA PRO 85 HA PRO 85 0.400 -10.618 9.350 632 HB2 PRO 85 1HB PRO 85 1.019 -11.592 6.892 633 HB3 PRO 85 2HB PRO 85 0.935 -12.602 8.351 634 HG2 PRO 85 1HG PRO 85 -0.955 -12.334 6.090 635 HG3 PRO 85 2HG PRO 85 -0.615 -13.731 7.135 636 HD2 PRO 85 1HD PRO 85 -2.817 -11.982 7.331 637 HD3 PRO 85 2HD PRO 85 -2.280 -13.166 8.546 638 H HIS 86 H HIS 86 -1.809 -10.040 6.663 639 HA HIS 86 HA HIS 86 -1.816 -8.547 4.890 640 HD2 HIS 86 HD2 HIS 86 -3.383 -8.660 7.849 641 HE1 HIS 86 HE1 HIS 86 -6.013 -5.576 6.691 642 HE2 HIS 86 HE2 HIS 86 -5.813 -7.752 7.950 643 HB2 HIS 86 1HB HIS 86 -1.079 -6.660 7.160 644 HB3 HIS 86 2HB HIS 86 -1.504 -6.114 5.534 645 H CYS 87 H CYS 87 0.140 -9.820 4.187 646 HA CYS 87 HA CYS 87 2.463 -8.167 4.456 647 HG CYS 87 HG CYS 87 1.451 -11.819 2.815 648 HB2 CYS 87 1HB CYS 87 3.662 -10.288 3.659 649 HB3 CYS 87 2HB CYS 87 3.073 -10.078 5.311 650 H LEU 88 H LEU 88 0.222 -8.331 2.274 651 HA LEU 88 HA LEU 88 1.993 -8.343 -0.076 652 HG LEU 88 HG LEU 88 1.206 -10.753 0.500 653 HB2 LEU 88 1HB LEU 88 -0.722 -9.499 0.298 654 HB3 LEU 88 2HB LEU 88 -0.221 -9.002 -1.301 655 HD11 LEU 88 1HD1 LEU 88 -0.870 -11.882 -0.233 656 HD12 LEU 88 2HD1 LEU 88 0.575 -12.616 -0.951 657 HD13 LEU 88 3HD1 LEU 88 -0.434 -11.531 -1.934 658 HD21 LEU 88 3HD2 LEU 88 2.771 -9.929 -1.011 659 HD22 LEU 88 1HD2 LEU 88 1.670 -10.151 -2.379 660 HD23 LEU 88 2HD2 LEU 88 2.377 -11.549 -1.596 661 H VAL 89 H VAL 89 2.298 -6.906 -1.105 662 HA VAL 89 HA VAL 89 0.287 -4.837 -1.239 663 HB VAL 89 HB VAL 89 2.004 -3.125 -1.082 664 HG11 VAL 89 1HG1 VAL 89 0.734 -3.459 0.917 665 HG12 VAL 89 2HG1 VAL 89 2.436 -3.230 1.378 666 HG13 VAL 89 3HG1 VAL 89 1.739 -4.851 1.346 667 HG21 VAL 89 3HG2 VAL 89 3.816 -5.327 -0.152 668 HG22 VAL 89 1HG2 VAL 89 4.209 -3.596 -0.107 669 HG23 VAL 89 2HG2 VAL 89 3.908 -4.409 -1.656 670 H LEU 90 H LEU 90 0.261 -3.940 -3.162 671 HA LEU 90 HA LEU 90 2.273 -4.817 -5.121 672 HG LEU 90 HG LEU 90 -0.694 -2.739 -5.003 673 HB2 LEU 90 1HB LEU 90 0.643 -4.598 -6.814 674 HB3 LEU 90 2HB LEU 90 -0.245 -5.261 -5.455 675 HD11 LEU 90 1HD1 LEU 90 0.576 -1.917 -6.879 676 HD12 LEU 90 2HD1 LEU 90 -1.145 -1.572 -7.163 677 HD13 LEU 90 3HD1 LEU 90 -0.349 -2.946 -7.959 678 HD21 LEU 90 3HD2 LEU 90 -2.183 -4.478 -6.937 679 HD22 LEU 90 1HD2 LEU 90 -2.811 -2.961 -6.288 680 HD23 LEU 90 2HD2 LEU 90 -2.446 -4.275 -5.192 681 H SER 91 H SER 91 3.228 -3.238 -6.455 682 HA SER 91 HA SER 91 3.481 -0.678 -5.147 683 HG SER 91 HG SER 91 3.848 -1.723 -8.209 684 HB2 SER 91 1HB SER 91 5.429 -0.453 -6.561 685 HB3 SER 91 2HB SER 91 5.324 -2.179 -6.168 686 H LEU 92 H LEU 92 2.427 1.105 -5.915 687 HA LEU 92 HA LEU 92 0.774 0.863 -8.285 688 HG LEU 92 HG LEU 92 -0.424 0.893 -5.771 689 HB2 LEU 92 1HB LEU 92 1.059 2.909 -6.130 690 HB3 LEU 92 2HB LEU 92 0.113 3.236 -7.587 691 HD11 LEU 92 1HD1 LEU 92 -2.235 2.188 -4.851 692 HD12 LEU 92 2HD1 LEU 92 -1.801 3.554 -5.876 693 HD13 LEU 92 3HD1 LEU 92 -0.716 3.046 -4.582 694 HD21 LEU 92 3HD2 LEU 92 -1.225 0.738 -8.084 695 HD22 LEU 92 1HD2 LEU 92 -1.979 2.319 -7.872 696 HD23 LEU 92 2HD2 LEU 92 -2.562 0.938 -6.939 697 H ASP 93 H ASP 93 3.840 1.261 -8.049 698 HA ASP 93 HA ASP 93 4.075 3.456 -9.866 699 HB2 ASP 93 1HB ASP 93 6.479 2.671 -9.240 700 HB3 ASP 93 2HB ASP 93 5.691 3.955 -8.248 701 H ASN 94 H ASN 94 5.684 0.359 -9.216 702 HA ASN 94 HA ASN 94 6.123 0.059 -12.091 703 HB2 ASN 94 1HB ASN 94 7.221 -1.449 -9.714 704 HB3 ASN 94 2HB ASN 94 7.586 -1.853 -11.397 705 HD21 ASN 94 1HD2 ASN 94 9.295 -0.997 -9.199 706 HD22 ASN 94 2HD2 ASN 94 10.129 0.414 -9.763 707 H TRP 95 H TRP 95 3.817 -0.702 -9.963 708 HA TRP 95 HA TRP 95 2.181 -2.219 -9.755 709 HD1 TRP 95 HD1 TRP 95 2.123 -0.024 -13.433 710 HE1 TRP 95 HE1 TRP 95 0.069 1.503 -13.127 711 HE3 TRP 95 HE3 TRP 95 -0.541 -2.840 -10.103 712 HZ2 TRP 95 HZ2 TRP 95 -2.308 1.550 -11.665 713 HZ3 TRP 95 HZ3 TRP 95 -2.702 -1.968 -9.295 714 HH2 TRP 95 HH2 TRP 95 -3.561 0.179 -10.063 715 HB2 TRP 95 1HB TRP 95 2.695 -2.478 -12.722 716 HB3 TRP 95 2HB TRP 95 1.421 -3.388 -11.919 717 H SER 96 H SER 96 4.775 -3.142 -8.946 718 HA SER 96 HA SER 96 4.781 -5.922 -9.819 719 HG SER 96 HG SER 96 6.827 -4.938 -10.608 720 HB2 SER 96 1HB SER 96 6.459 -4.551 -7.785 721 HB3 SER 96 2HB SER 96 6.727 -6.125 -8.530 722 H VAL 97 H VAL 97 4.957 -7.496 -8.024 723 HA VAL 97 HA VAL 97 3.171 -6.591 -5.893 724 HB VAL 97 HB VAL 97 3.829 -9.456 -6.573 725 HG11 VAL 97 1HG1 VAL 97 1.911 -9.943 -5.384 726 HG12 VAL 97 2HG1 VAL 97 1.401 -8.286 -5.635 727 HG13 VAL 97 3HG1 VAL 97 2.727 -8.614 -4.452 728 HG21 VAL 97 3HG2 VAL 97 1.946 -9.576 -7.843 729 HG22 VAL 97 1HG2 VAL 97 3.021 -8.361 -8.514 730 HG23 VAL 97 2HG2 VAL 97 1.578 -7.858 -7.607 731 H TRP 98 H TRP 98 3.871 -6.954 -3.704 732 HA TRP 98 HA TRP 98 6.549 -8.077 -3.393 733 HD1 TRP 98 HD1 TRP 98 6.767 -6.471 0.441 734 HE1 TRP 98 HE1 TRP 98 9.230 -6.946 1.037 735 HE3 TRP 98 HE3 TRP 98 8.760 -6.315 -4.256 736 HZ2 TRP 98 HZ2 TRP 98 11.632 -7.212 -0.300 737 HZ3 TRP 98 HZ3 TRP 98 11.144 -6.685 -4.537 738 HH2 TRP 98 HH2 TRP 98 12.597 -7.115 -2.585 739 HB2 TRP 98 1HB TRP 98 6.475 -5.440 -3.181 740 HB3 TRP 98 2HB TRP 98 5.533 -5.789 -1.741 741 H CYS 99 H CYS 99 6.757 -9.493 -1.698 742 HA CYS 99 HA CYS 99 4.479 -9.543 0.117 743 HB2 CYS 99 1HB CYS 99 4.303 -11.496 -1.204 744 HB3 CYS 99 2HB CYS 99 6.010 -11.893 -1.092 745 H TYR 100 H TYR 100 5.058 -9.012 2.035 746 HA TYR 100 HA TYR 100 7.786 -8.382 2.581 747 HD1 TYR 100 HD1 TYR 100 7.856 -5.755 3.607 748 HD2 TYR 100 HD2 TYR 100 3.865 -7.241 3.656 749 HE1 TYR 100 HE1 TYR 100 7.071 -3.566 3.008 750 HE2 TYR 100 HE2 TYR 100 3.050 -4.969 3.022 751 HH TYR 100 HH TYR 100 3.845 -2.653 3.197 752 HB2 TYR 100 1HB TYR 100 5.457 -8.557 4.464 753 HB3 TYR 100 2HB TYR 100 7.050 -7.942 4.885 754 H VAL 101 H VAL 101 5.882 -11.167 3.273 755 HA VAL 101 HA VAL 101 7.862 -12.122 5.168 756 HB VAL 101 HB VAL 101 5.527 -12.514 5.715 757 HG11 VAL 101 1HG1 VAL 101 5.473 -14.053 3.187 758 HG12 VAL 101 2HG1 VAL 101 4.674 -12.537 3.520 759 HG13 VAL 101 3HG1 VAL 101 4.139 -14.019 4.358 760 HG21 VAL 101 3HG2 VAL 101 7.101 -14.195 6.536 761 HG22 VAL 101 1HG2 VAL 101 6.901 -15.123 5.048 762 HG23 VAL 101 2HG2 VAL 101 5.544 -14.937 6.159 763 H CYS 102 H CYS 102 7.167 -12.440 1.818 764 HA CYS 102 HA CYS 102 8.926 -14.741 1.422 765 HB2 CYS 102 1HB CYS 102 7.535 -12.788 -0.383 766 HB3 CYS 102 2HB CYS 102 8.913 -13.694 -1.002 767 H ASP 103 H ASP 103 8.836 -11.361 1.647 768 HA ASP 103 HA ASP 103 10.177 -9.669 1.552 769 HB2 ASP 103 1HB ASP 103 11.230 -10.914 3.405 770 HB3 ASP 103 2HB ASP 103 12.375 -11.644 2.263 771 H ASN 104 H ASN 104 9.502 -10.553 -0.870 772 HA ASN 104 HA ASN 104 11.725 -9.946 -2.430 773 HB2 ASN 104 1HB ASN 104 11.818 -11.975 -3.663 774 HB3 ASN 104 2HB ASN 104 11.827 -12.437 -1.952 775 HD21 ASN 104 1HD2 ASN 104 9.217 -11.632 -4.030 776 HD22 ASN 104 2HD2 ASN 104 8.249 -12.992 -3.969 777 H GLU 105 H GLU 105 10.842 -10.193 -4.748 778 HA GLU 105 HA GLU 105 8.370 -8.742 -5.012 779 HB2 GLU 105 1HB GLU 105 10.510 -8.342 -5.980 780 HB3 GLU 105 2HB GLU 105 10.315 -9.773 -6.986 781 HG2 GLU 105 1HG GLU 105 8.354 -8.963 -7.966 782 HG3 GLU 105 2HG GLU 105 8.372 -7.542 -6.914 783 H VAL 106 H VAL 106 6.513 -9.787 -5.872 784 HA VAL 106 HA VAL 106 6.827 -12.647 -6.448 785 HB VAL 106 HB VAL 106 4.267 -11.200 -5.718 786 HG11 VAL 106 1HG1 VAL 106 4.901 -14.151 -5.837 787 HG12 VAL 106 2HG1 VAL 106 3.906 -13.264 -6.989 788 HG13 VAL 106 3HG1 VAL 106 3.374 -13.442 -5.315 789 HG21 VAL 106 3HG2 VAL 106 4.579 -12.267 -3.497 790 HG22 VAL 106 1HG2 VAL 106 5.855 -11.106 -3.913 791 HG23 VAL 106 2HG2 VAL 106 6.167 -12.825 -4.069 792 H GLN 107 H GLN 107 6.190 -13.496 -8.368 793 HA GLN 107 HA GLN 107 5.136 -11.569 -10.300 794 HB2 GLN 107 1HB GLN 107 6.508 -14.148 -11.085 795 HB3 GLN 107 2HB GLN 107 6.152 -12.747 -12.104 796 HG2 GLN 107 1HG GLN 107 8.407 -12.506 -11.755 797 HG3 GLN 107 2HG GLN 107 7.751 -11.524 -10.440 798 HE21 GLN 107 1HE2 GLN 107 9.328 -11.794 -8.939 799 HE22 GLN 107 2HE2 GLN 107 9.773 -13.338 -8.291 800 H TYR 108 H TYR 108 3.173 -11.767 -9.850 801 HA TYR 108 HA TYR 108 1.641 -14.115 -9.639 802 HD1 TYR 108 HD1 TYR 108 2.535 -10.921 -11.281 803 HD2 TYR 108 HD2 TYR 108 -0.771 -10.155 -8.756 804 HE1 TYR 108 HE1 TYR 108 2.655 -8.605 -11.879 805 HE2 TYR 108 HE2 TYR 108 -0.659 -7.852 -9.323 806 HH TYR 108 HH TYR 108 1.126 -6.184 -10.276 807 HB2 TYR 108 1HB TYR 108 -0.306 -12.507 -9.849 808 HB3 TYR 108 2HB TYR 108 0.815 -12.271 -8.509 809 H CYS 109 H CYS 109 0.589 -11.773 -11.997 810 HA CYS 109 HA CYS 109 0.376 -11.698 -14.159 811 HG CYS 109 HG CYS 109 2.954 -10.866 -14.860 812 HB2 CYS 109 1HB CYS 109 2.137 -14.134 -14.313 813 HB3 CYS 109 2HB CYS 109 1.647 -13.138 -15.693 814 H SER 110 H SER 110 0.215 -15.299 -13.986 815 HA SER 110 HA SER 110 -2.454 -14.947 -15.145 816 HG SER 110 HG SER 110 -1.409 -14.720 -17.210 817 HB2 SER 110 1HB SER 110 -0.387 -17.013 -15.899 818 HB3 SER 110 2HB SER 110 -2.012 -16.894 -16.572 819 H SER 111 H SER 111 -4.087 -16.429 -14.610 820 HA SER 111 HA SER 111 -5.330 -17.587 -13.438 821 HG SER 111 HG SER 111 -2.140 -18.829 -13.302 822 HB2 SER 111 1HB SER 111 -4.663 -19.846 -12.940 823 HB3 SER 111 2HB SER 111 -4.357 -19.366 -14.608 824 H ASN 112 H ASN 112 -2.418 -17.075 -11.659 825 HA ASN 112 HA ASN 112 -3.358 -17.841 -9.124 826 HB2 ASN 112 1HB ASN 112 -1.202 -15.862 -9.889 827 HB3 ASN 112 2HB ASN 112 -1.533 -16.367 -8.226 828 HD21 ASN 112 1HD2 ASN 112 -0.114 -17.255 -11.290 829 HD22 ASN 112 2HD2 ASN 112 0.571 -18.735 -10.705 830 H GLN 113 H GLN 113 -4.477 -16.860 -7.650 831 HA GLN 113 HA GLN 113 -6.456 -15.024 -8.257 832 HB2 GLN 113 1HB GLN 113 -6.535 -16.613 -6.398 833 HB3 GLN 113 2HB GLN 113 -5.253 -15.712 -5.586 834 HG2 GLN 113 1HG GLN 113 -6.837 -13.769 -5.595 835 HG3 GLN 113 2HG GLN 113 -8.092 -14.928 -6.074 836 HE21 GLN 113 1HE2 GLN 113 -7.729 -13.381 -3.761 837 HE22 GLN 113 2HE2 GLN 113 -7.676 -14.403 -2.359 838 H LEU 114 H LEU 114 -3.161 -14.459 -7.161 839 HA LEU 114 HA LEU 114 -3.367 -11.863 -6.033 840 HG LEU 114 HG LEU 114 -0.416 -11.151 -6.948 841 HB2 LEU 114 1HB LEU 114 -1.632 -13.586 -5.680 842 HB3 LEU 114 2HB LEU 114 -1.180 -13.430 -7.373 843 HD11 LEU 114 1HD1 LEU 114 -0.303 -10.328 -4.640 844 HD12 LEU 114 2HD1 LEU 114 -1.234 -11.739 -4.110 845 HD13 LEU 114 3HD1 LEU 114 -1.961 -10.558 -5.203 846 HD21 LEU 114 3HD2 LEU 114 1.523 -11.765 -5.594 847 HD22 LEU 114 1HD2 LEU 114 1.091 -13.054 -6.705 848 HD23 LEU 114 2HD2 LEU 114 0.662 -13.178 -5.000 849 H GLY 115 H GLY 115 -2.778 -13.121 -9.220 850 HA2 GLY 115 1HA GLY 115 -2.218 -10.514 -10.330 851 HA3 GLY 115 2HA GLY 115 -2.482 -11.981 -11.279 852 H GLN 116 H GLN 116 -5.078 -12.703 -10.100 853 HA GLN 116 HA GLN 116 -6.785 -11.430 -11.724 854 HB2 GLN 116 1HB GLN 116 -7.348 -12.681 -9.080 855 HB3 GLN 116 2HB GLN 116 -8.416 -12.559 -10.483 856 HG2 GLN 116 1HG GLN 116 -5.912 -14.229 -10.278 857 HG3 GLN 116 2HG GLN 116 -7.602 -14.686 -10.157 858 HE21 GLN 116 1HE2 GLN 116 -8.772 -14.954 -11.985 859 HE22 GLN 116 2HE2 GLN 116 -8.082 -14.881 -13.572 860 H VAL 117 H VAL 117 -5.921 -10.890 -8.326 861 HA VAL 117 HA VAL 117 -8.067 -9.120 -8.046 862 HB VAL 117 HB VAL 117 -6.038 -10.099 -6.099 863 HG11 VAL 117 1HG1 VAL 117 -5.923 -7.658 -5.808 864 HG12 VAL 117 2HG1 VAL 117 -6.704 -8.433 -4.416 865 HG13 VAL 117 3HG1 VAL 117 -7.677 -7.591 -5.646 866 HG21 VAL 117 3HG2 VAL 117 -8.203 -10.221 -4.798 867 HG22 VAL 117 1HG2 VAL 117 -8.069 -11.211 -6.282 868 HG23 VAL 117 2HG2 VAL 117 -8.959 -9.673 -6.277 869 H VAL 118 H VAL 118 -4.545 -8.785 -8.294 870 HA VAL 118 HA VAL 118 -4.530 -5.935 -8.261 871 HB VAL 118 HB VAL 118 -2.686 -7.864 -9.635 872 HG11 VAL 118 1HG1 VAL 118 -2.318 -4.888 -9.053 873 HG12 VAL 118 2HG1 VAL 118 -2.501 -5.611 -10.649 874 HG13 VAL 118 3HG1 VAL 118 -1.055 -5.936 -9.703 875 HG21 VAL 118 3HG2 VAL 118 -1.189 -7.156 -7.668 876 HG22 VAL 118 1HG2 VAL 118 -2.590 -8.200 -7.299 877 HG23 VAL 118 2HG2 VAL 118 -2.671 -6.459 -7.049 878 H ASP 119 H ASP 119 -5.402 -8.192 -10.776 879 HA ASP 119 HA ASP 119 -5.283 -6.251 -12.855 880 HB2 ASP 119 1HB ASP 119 -5.343 -8.634 -13.392 881 HB3 ASP 119 2HB ASP 119 -6.897 -8.795 -12.560 882 H TYR 120 H TYR 120 -7.584 -7.402 -10.593 883 HA TYR 120 HA TYR 120 -9.814 -5.862 -11.461 884 HD1 TYR 120 HD1 TYR 120 -12.296 -5.552 -9.815 885 HD2 TYR 120 HD2 TYR 120 -9.382 -6.673 -6.922 886 HE1 TYR 120 HE1 TYR 120 -13.561 -4.398 -8.052 887 HE2 TYR 120 HE2 TYR 120 -10.609 -5.558 -5.212 888 HH TYR 120 HH TYR 120 -12.234 -3.707 -5.010 889 HB2 TYR 120 1HB TYR 120 -10.595 -7.567 -10.070 890 HB3 TYR 120 2HB TYR 120 -9.169 -7.485 -9.027 891 H VAL 121 H VAL 121 -7.334 -5.285 -9.015 892 HA VAL 121 HA VAL 121 -8.511 -2.760 -8.275 893 HB VAL 121 HB VAL 121 -6.711 -2.460 -6.869 894 HG11 VAL 121 1HG1 VAL 121 -8.314 -4.240 -6.276 895 HG12 VAL 121 2HG1 VAL 121 -6.805 -4.254 -5.379 896 HG13 VAL 121 3HG1 VAL 121 -7.077 -5.424 -6.702 897 HG21 VAL 121 3HG2 VAL 121 -4.727 -4.175 -6.917 898 HG22 VAL 121 1HG2 VAL 121 -4.831 -2.776 -8.026 899 HG23 VAL 121 2HG2 VAL 121 -5.346 -4.308 -8.610 900 H ARG 122 H ARG 122 -6.198 -3.795 -10.550 901 HA ARG 122 HA ARG 122 -5.283 -1.178 -11.055 902 HE ARG 122 HE ARG 122 -3.563 -4.356 -14.538 903 HB2 ARG 122 1HB ARG 122 -4.124 -3.320 -11.757 904 HB3 ARG 122 2HB ARG 122 -5.317 -3.415 -13.063 905 HG2 ARG 122 1HG ARG 122 -4.529 -1.445 -14.056 906 HG3 ARG 122 2HG ARG 122 -3.619 -1.009 -12.612 907 HD2 ARG 122 1HD ARG 122 -2.026 -1.846 -14.224 908 HD3 ARG 122 2HD ARG 122 -2.266 -3.089 -12.999 909 HH11 ARG 122 1HH1 ARG 122 -2.126 -1.513 -16.063 910 HH12 ARG 122 2HH1 ARG 122 -2.087 -2.211 -17.619 911 HH21 ARG 122 1HH2 ARG 122 -3.478 -5.287 -16.633 912 HH22 ARG 122 2HH2 ARG 122 -2.843 -4.390 -17.960 913 H LYS 123 H LYS 123 -8.041 -3.116 -12.270 914 HA LYS 123 HA LYS 123 -8.787 -1.132 -14.061 915 HB2 LYS 123 1HB LYS 123 -10.409 -3.278 -12.760 916 HB3 LYS 123 2HB LYS 123 -10.892 -2.327 -14.166 917 HG2 LYS 123 1HG LYS 123 -8.583 -3.086 -15.028 918 HG3 LYS 123 2HG LYS 123 -8.832 -4.414 -13.894 919 HD2 LYS 123 1HD LYS 123 -9.714 -5.212 -15.891 920 HD3 LYS 123 2HD LYS 123 -11.090 -4.655 -14.903 921 HE2 LYS 123 1HE LYS 123 -11.199 -2.584 -16.170 922 HE3 LYS 123 2HE LYS 123 -9.795 -3.071 -17.113 923 HZ1 LYS 123 3HZ LYS 123 -11.869 -3.454 -18.294 924 HZ2 LYS 123 1HZ LYS 123 -12.391 -4.480 -17.064 925 HZ3 LYS 123 2HZ LYS 123 -11.060 -4.908 -18.000 926 H GLN 124 H GLN 124 -8.939 -1.533 -10.779 927 HA GLN 124 HA GLN 124 -11.165 0.213 -10.295 928 HB2 GLN 124 1HB GLN 124 -9.043 -0.625 -8.335 929 HB3 GLN 124 2HB GLN 124 -10.342 0.487 -7.916 930 HG2 GLN 124 1HG GLN 124 -10.369 -2.453 -8.122 931 HG3 GLN 124 2HG GLN 124 -11.345 -1.280 -7.222 932 HE21 GLN 124 1HE2 GLN 124 -10.936 -2.927 -10.114 933 HE22 GLN 124 2HE2 GLN 124 -12.524 -2.748 -10.730 934 H ALA 125 H ALA 125 -7.670 0.404 -9.993 935 HA ALA 125 HA ALA 125 -7.418 3.052 -9.195 936 HB1 ALA 125 3HB ALA 125 -5.080 2.643 -9.569 937 HB2 ALA 125 1HB ALA 125 -5.465 1.206 -10.541 938 HB3 ALA 125 2HB ALA 125 -5.856 1.242 -8.819 939 H SER 126 H SER 126 -7.137 1.457 -12.311 940 HA SER 126 HA SER 126 -6.566 3.830 -13.759 941 HG SER 126 HG SER 126 -6.068 0.482 -14.455 942 HB2 SER 126 1HB SER 126 -7.891 1.305 -14.798 943 HB3 SER 126 2HB SER 126 -7.131 2.552 -15.789 Start of MODEL 20 1 HA PRO 5 HA PRO 5 9.770 -18.350 -6.894 2 HB2 PRO 5 1HB PRO 5 8.323 -17.556 -9.045 3 HB3 PRO 5 2HB PRO 5 10.098 -17.593 -9.059 4 HG2 PRO 5 1HG PRO 5 8.174 -19.697 -10.047 5 HG3 PRO 5 2HG PRO 5 9.573 -18.980 -10.909 6 HD2 PRO 5 1HD PRO 5 9.643 -21.310 -9.731 7 HD3 PRO 5 2HD PRO 5 11.045 -20.208 -9.593 8 H VAL 6 H VAL 6 7.722 -17.065 -7.094 9 HA VAL 6 HA VAL 6 5.638 -16.547 -6.731 10 HB VAL 6 HB VAL 6 5.065 -18.707 -8.198 11 HG11 VAL 6 1HG1 VAL 6 3.926 -19.462 -5.528 12 HG12 VAL 6 2HG1 VAL 6 5.222 -20.286 -6.388 13 HG13 VAL 6 3HG1 VAL 6 3.582 -20.270 -7.071 14 HG21 VAL 6 3HG2 VAL 6 3.740 -16.698 -8.026 15 HG22 VAL 6 1HG2 VAL 6 3.075 -17.263 -6.492 16 HG23 VAL 6 2HG2 VAL 6 2.702 -18.138 -7.988 17 H CYS 7 H CYS 7 4.073 -16.498 -5.145 18 HA CYS 7 HA CYS 7 5.030 -17.377 -2.560 19 HB2 CYS 7 1HB CYS 7 4.887 -14.970 -2.800 20 HB3 CYS 7 2HB CYS 7 3.276 -15.109 -3.504 21 H ARG 8 H ARG 8 3.527 -18.239 -1.172 22 HA ARG 8 HA ARG 8 1.044 -18.925 -2.350 23 HE ARG 8 HE ARG 8 3.575 -22.008 -2.906 24 HB2 ARG 8 1HB ARG 8 1.028 -21.160 -1.055 25 HB3 ARG 8 2HB ARG 8 2.078 -21.042 -2.470 26 HG2 ARG 8 1HG ARG 8 3.065 -20.546 0.288 27 HG3 ARG 8 2HG ARG 8 2.925 -22.204 -0.335 28 HD2 ARG 8 1HD ARG 8 4.582 -19.930 -1.435 29 HD3 ARG 8 2HD ARG 8 5.195 -21.400 -0.671 30 HH11 ARG 8 1HH1 ARG 8 6.820 -20.813 -2.121 31 HH12 ARG 8 2HH1 ARG 8 7.535 -21.410 -3.533 32 HH21 ARG 8 1HH2 ARG 8 4.529 -22.764 -4.870 33 HH22 ARG 8 2HH2 ARG 8 6.188 -22.535 -5.162 34 H HIS 9 H HIS 9 2.125 -17.038 -0.423 35 HA HIS 9 HA HIS 9 0.343 -17.267 2.035 36 HD2 HIS 9 HD2 HIS 9 2.357 -17.630 4.215 37 HE1 HIS 9 HE1 HIS 9 6.260 -16.698 2.858 38 HE2 HIS 9 HE2 HIS 9 4.912 -17.982 4.582 39 HB2 HIS 9 1HB HIS 9 2.281 -15.076 1.207 40 HB3 HIS 9 2HB HIS 9 1.384 -15.185 2.720 41 H ILE 10 H ILE 10 -0.523 -17.107 -0.730 42 HA ILE 10 HA ILE 10 -0.873 -14.550 -1.507 43 HB ILE 10 HB ILE 10 -2.467 -16.969 -2.354 44 HG12 ILE 10 1HG1 ILE 10 -0.025 -17.132 -2.755 45 HG13 ILE 10 2HG1 ILE 10 -0.895 -16.959 -4.299 46 HG21 ILE 10 1HG2 ILE 10 -3.054 -15.693 -4.397 47 HG22 ILE 10 2HG2 ILE 10 -2.329 -14.252 -3.681 48 HG23 ILE 10 3HG2 ILE 10 -3.747 -14.970 -2.947 49 HD11 ILE 10 3HD1 ILE 10 -0.239 -14.570 -4.223 50 HD12 ILE 10 1HD1 ILE 10 1.122 -15.715 -4.262 51 HD13 ILE 10 2HD1 ILE 10 0.666 -14.962 -2.743 52 H ARG 11 H ARG 11 -3.220 -16.910 -0.433 53 HA ARG 11 HA ARG 11 -5.516 -15.288 -0.214 54 HE ARG 11 HE ARG 11 -8.126 -17.927 0.286 55 HB2 ARG 11 1HB ARG 11 -4.840 -17.817 1.205 56 HB3 ARG 11 2HB ARG 11 -6.448 -17.112 1.162 57 HG2 ARG 11 1HG ARG 11 -6.363 -17.310 -1.341 58 HG3 ARG 11 2HG ARG 11 -4.872 -18.248 -1.139 59 HD2 ARG 11 1HD ARG 11 -6.746 -19.746 -1.362 60 HD3 ARG 11 2HD ARG 11 -6.120 -19.835 0.283 61 HH11 ARG 11 1HH1 ARG 11 -7.872 -21.417 -0.229 62 HH12 ARG 11 2HH1 ARG 11 -9.497 -21.732 0.166 63 HH21 ARG 11 1HH2 ARG 11 -10.351 -18.375 0.883 64 HH22 ARG 11 2HH2 ARG 11 -10.919 -19.976 0.849 65 H LYS 12 H LYS 12 -2.937 -15.812 1.943 66 HA LYS 12 HA LYS 12 -4.319 -14.902 4.258 67 HB2 LYS 12 1HB LYS 12 -1.383 -15.354 3.771 68 HB3 LYS 12 2HB LYS 12 -2.071 -14.938 5.340 69 HG2 LYS 12 1HG LYS 12 -3.423 -16.941 5.318 70 HG3 LYS 12 2HG LYS 12 -2.805 -17.355 3.710 71 HD2 LYS 12 1HD LYS 12 -0.558 -17.556 4.643 72 HD3 LYS 12 2HD LYS 12 -1.181 -17.135 6.241 73 HE2 LYS 12 1HE LYS 12 -2.589 -19.099 6.257 74 HE3 LYS 12 2HE LYS 12 -2.106 -19.499 4.617 75 HZ1 LYS 12 3HZ LYS 12 -0.923 -20.814 6.239 76 HZ2 LYS 12 1HZ LYS 12 -0.326 -19.445 6.984 77 HZ3 LYS 12 2HZ LYS 12 0.161 -19.814 5.420 78 H GLY 13 H GLY 13 -2.800 -13.389 1.609 79 HA2 GLY 13 1HA GLY 13 -2.676 -10.807 3.010 80 HA3 GLY 13 2HA GLY 13 -1.481 -11.325 1.834 81 H LEU 14 H LEU 14 -4.518 -12.491 1.144 82 HA LEU 14 HA LEU 14 -5.112 -10.305 -0.708 83 HG LEU 14 HG LEU 14 -5.461 -12.857 -3.382 84 HB2 LEU 14 1HB LEU 14 -3.975 -12.542 -1.506 85 HB3 LEU 14 2HB LEU 14 -5.589 -13.177 -1.208 86 HD11 LEU 14 1HD1 LEU 14 -7.066 -11.491 -4.016 87 HD12 LEU 14 2HD1 LEU 14 -6.804 -10.375 -2.638 88 HD13 LEU 14 3HD1 LEU 14 -7.436 -12.015 -2.356 89 HD21 LEU 14 3HD2 LEU 14 -4.783 -10.893 -4.558 90 HD22 LEU 14 1HD2 LEU 14 -3.489 -11.594 -3.592 91 HD23 LEU 14 2HD2 LEU 14 -4.323 -10.131 -3.022 92 H GLU 15 H GLU 15 -7.035 -9.643 0.109 93 HA GLU 15 HA GLU 15 -8.653 -11.734 1.210 94 HB2 GLU 15 1HB GLU 15 -7.468 -10.258 2.728 95 HB3 GLU 15 2HB GLU 15 -8.433 -8.897 2.175 96 HG2 GLU 15 1HG GLU 15 -8.834 -9.859 4.329 97 HG3 GLU 15 2HG GLU 15 -10.315 -9.707 3.403 98 H GLN 16 H GLN 16 -9.960 -11.663 -0.864 99 HA GLN 16 HA GLN 16 -10.288 -9.444 -2.407 100 HB2 GLN 16 1HB GLN 16 -12.165 -11.781 -2.525 101 HB3 GLN 16 2HB GLN 16 -11.919 -10.508 -3.724 102 HG2 GLN 16 1HG GLN 16 -9.573 -11.229 -3.993 103 HG3 GLN 16 2HG GLN 16 -9.902 -12.543 -2.863 104 HE21 GLN 16 1HE2 GLN 16 -9.166 -12.569 -5.742 105 HE22 GLN 16 2HE2 GLN 16 -10.406 -13.554 -6.469 106 H GLY 17 H GLY 17 -12.542 -10.633 -0.048 107 HA2 GLY 17 1HA GLY 17 -14.788 -9.047 -0.900 108 HA3 GLY 17 2HA GLY 17 -14.645 -9.890 0.651 109 H ASN 18 H ASN 18 -12.194 -8.634 1.310 110 HA ASN 18 HA ASN 18 -13.208 -6.242 2.568 111 HB2 ASN 18 1HB ASN 18 -11.749 -7.866 3.730 112 HB3 ASN 18 2HB ASN 18 -10.486 -7.569 2.553 113 HD21 ASN 18 1HD2 ASN 18 -9.080 -7.022 4.078 114 HD22 ASN 18 2HD2 ASN 18 -9.137 -5.556 4.989 115 H LEU 19 H LEU 19 -11.070 -7.137 -0.016 116 HA LEU 19 HA LEU 19 -9.865 -4.687 -0.607 117 HG LEU 19 HG LEU 19 -8.346 -7.639 -2.205 118 HB2 LEU 19 1HB LEU 19 -10.507 -7.133 -2.172 119 HB3 LEU 19 2HB LEU 19 -9.947 -5.687 -3.006 120 HD11 LEU 19 1HD1 LEU 19 -7.794 -4.690 -2.171 121 HD12 LEU 19 2HD1 LEU 19 -7.707 -5.797 -3.570 122 HD13 LEU 19 3HD1 LEU 19 -6.545 -5.949 -2.223 123 HD21 LEU 19 3HD2 LEU 19 -8.207 -5.637 0.036 124 HD22 LEU 19 1HD2 LEU 19 -7.114 -6.996 -0.228 125 HD23 LEU 19 2HD2 LEU 19 -8.812 -7.292 0.172 126 H LYS 20 H LYS 20 -12.917 -6.104 -1.964 127 HA LYS 20 HA LYS 20 -13.560 -4.014 -3.733 128 HB2 LYS 20 1HB LYS 20 -15.549 -5.567 -2.080 129 HB3 LYS 20 2HB LYS 20 -15.717 -5.008 -3.735 130 HG2 LYS 20 1HG LYS 20 -13.947 -7.292 -2.844 131 HG3 LYS 20 2HG LYS 20 -15.557 -7.446 -3.563 132 HD2 LYS 20 1HD LYS 20 -13.512 -5.908 -4.980 133 HD3 LYS 20 2HD LYS 20 -13.329 -7.665 -4.919 134 HE2 LYS 20 1HE LYS 20 -14.503 -6.884 -6.932 135 HE3 LYS 20 2HE LYS 20 -15.471 -8.004 -5.965 136 HZ1 LYS 20 3HZ LYS 20 -16.733 -6.138 -6.869 137 HZ2 LYS 20 1HZ LYS 20 -15.820 -5.021 -6.020 138 HZ3 LYS 20 2HZ LYS 20 -16.805 -6.138 -5.209 139 H LYS 21 H LYS 21 -14.034 -4.300 -0.242 140 HA LYS 21 HA LYS 21 -15.835 -2.111 -0.401 141 HB2 LYS 21 1HB LYS 21 -16.261 -2.442 1.972 142 HB3 LYS 21 2HB LYS 21 -16.490 -3.860 0.983 143 HG2 LYS 21 1HG LYS 21 -15.692 -4.493 2.878 144 HG3 LYS 21 2HG LYS 21 -14.325 -4.695 1.765 145 HD2 LYS 21 1HD LYS 21 -13.469 -3.801 3.890 146 HD3 LYS 21 2HD LYS 21 -13.397 -2.564 2.630 147 HE2 LYS 21 1HE LYS 21 -15.393 -1.497 3.494 148 HE3 LYS 21 2HE LYS 21 -15.619 -2.787 4.675 149 HZ1 LYS 21 3HZ LYS 21 -14.659 -0.812 5.644 150 HZ2 LYS 21 1HZ LYS 21 -13.348 -0.876 4.592 151 HZ3 LYS 21 2HZ LYS 21 -13.577 -2.082 5.745 152 H ALA 22 H ALA 22 -12.533 -2.572 0.205 153 HA ALA 22 HA ALA 22 -12.190 -0.045 1.594 154 HB1 ALA 22 3HB ALA 22 -10.143 -1.930 0.463 155 HB2 ALA 22 1HB ALA 22 -10.759 -1.967 2.115 156 HB3 ALA 22 2HB ALA 22 -9.841 -0.572 1.550 157 H LEU 23 H LEU 23 -11.663 -1.366 -1.637 158 HA LEU 23 HA LEU 23 -10.321 1.011 -2.573 159 HG LEU 23 HG LEU 23 -10.430 -2.431 -3.082 160 HB2 LEU 23 1HB LEU 23 -11.658 -0.969 -4.363 161 HB3 LEU 23 2HB LEU 23 -10.260 0.046 -4.699 162 HD11 LEU 23 1HD1 LEU 23 -8.685 -3.244 -4.516 163 HD12 LEU 23 2HD1 LEU 23 -8.803 -1.764 -5.476 164 HD13 LEU 23 3HD1 LEU 23 -10.182 -2.863 -5.362 165 HD21 LEU 23 3HD2 LEU 23 -8.014 -0.602 -3.149 166 HD22 LEU 23 1HD2 LEU 23 -8.057 -2.232 -2.455 167 HD23 LEU 23 2HD2 LEU 23 -9.044 -0.976 -1.752 168 H VAL 24 H VAL 24 -13.523 0.206 -2.108 169 HA VAL 24 HA VAL 24 -14.870 1.990 -3.718 170 HB VAL 24 HB VAL 24 -15.279 1.287 -0.809 171 HG11 VAL 24 1HG1 VAL 24 -17.482 2.365 -0.924 172 HG12 VAL 24 2HG1 VAL 24 -17.081 2.989 -2.536 173 HG13 VAL 24 3HG1 VAL 24 -16.158 3.514 -1.123 174 HG21 VAL 24 3HG2 VAL 24 -16.754 0.619 -3.326 175 HG22 VAL 24 1HG2 VAL 24 -17.189 0.081 -1.702 176 HG23 VAL 24 2HG2 VAL 24 -15.660 -0.435 -2.428 177 H ASN 25 H ASN 25 -13.077 2.746 -0.743 178 HA ASN 25 HA ASN 25 -13.693 5.599 -1.168 179 HB2 ASN 25 1HB ASN 25 -13.103 4.046 1.338 180 HB3 ASN 25 2HB ASN 25 -13.163 5.815 1.282 181 HD21 ASN 25 1HD2 ASN 25 -14.806 3.725 2.621 182 HD22 ASN 25 2HD2 ASN 25 -16.444 4.102 2.200 183 H VAL 26 H VAL 26 -11.396 3.870 -2.149 184 HA VAL 26 HA VAL 26 -9.106 4.960 -0.749 185 HB VAL 26 HB VAL 26 -7.707 4.001 -2.593 186 HG11 VAL 26 1HG1 VAL 26 -8.075 1.718 -1.991 187 HG12 VAL 26 2HG1 VAL 26 -9.556 2.192 -1.116 188 HG13 VAL 26 3HG1 VAL 26 -7.964 2.803 -0.602 189 HG21 VAL 26 3HG2 VAL 26 -9.299 4.046 -4.351 190 HG22 VAL 26 1HG2 VAL 26 -10.345 2.922 -3.484 191 HG23 VAL 26 2HG2 VAL 26 -8.762 2.392 -4.055 192 H GLU 27 H GLU 27 -7.731 6.398 -1.273 193 HA GLU 27 HA GLU 27 -8.106 8.021 -3.652 194 HB2 GLU 27 1HB GLU 27 -6.144 9.233 -2.651 195 HB3 GLU 27 2HB GLU 27 -7.695 9.559 -1.925 196 HG2 GLU 27 1HG GLU 27 -5.678 7.574 -0.942 197 HG3 GLU 27 2HG GLU 27 -5.757 9.285 -0.496 198 H TRP 28 H TRP 28 -7.388 6.776 -4.988 199 HA TRP 28 HA TRP 28 -5.175 5.085 -4.963 200 HD1 TRP 28 HD1 TRP 28 -8.710 4.733 -7.370 201 HE1 TRP 28 HE1 TRP 28 -9.277 2.293 -6.810 202 HE3 TRP 28 HE3 TRP 28 -4.207 3.304 -5.568 203 HZ2 TRP 28 HZ2 TRP 28 -7.971 0.097 -5.770 204 HZ3 TRP 28 HZ3 TRP 28 -3.941 1.006 -4.775 205 HH2 TRP 28 HH2 TRP 28 -5.794 -0.561 -4.867 206 HB2 TRP 28 1HB TRP 28 -6.697 6.249 -7.121 207 HB3 TRP 28 2HB TRP 28 -5.267 5.316 -7.560 208 H ASN 29 H ASN 29 -3.211 5.154 -5.130 209 HA ASN 29 HA ASN 29 -1.155 5.728 -5.274 210 HB2 ASN 29 1HB ASN 29 -2.279 7.317 -7.445 211 HB3 ASN 29 2HB ASN 29 -0.630 7.779 -6.928 212 HD21 ASN 29 1HD2 ASN 29 0.977 6.194 -7.061 213 HD22 ASN 29 2HD2 ASN 29 0.830 4.837 -8.122 214 H ILE 30 H ILE 30 -3.044 6.905 -3.402 215 HA ILE 30 HA ILE 30 -1.219 8.966 -2.464 216 HB ILE 30 HB ILE 30 -4.227 8.922 -2.092 217 HG12 ILE 30 1HG1 ILE 30 -2.505 10.825 -3.682 218 HG13 ILE 30 2HG1 ILE 30 -3.633 9.643 -4.372 219 HG21 ILE 30 1HG2 ILE 30 -3.910 11.105 -0.971 220 HG22 ILE 30 2HG2 ILE 30 -2.168 10.925 -1.146 221 HG23 ILE 30 3HG2 ILE 30 -3.074 9.806 -0.134 222 HD11 ILE 30 3HD1 ILE 30 -5.464 10.928 -3.351 223 HD12 ILE 30 1HD1 ILE 30 -4.491 11.902 -4.452 224 HD13 ILE 30 2HD1 ILE 30 -4.274 12.059 -2.708 225 H CYS 31 H CYS 31 -0.158 7.712 -0.991 226 HA CYS 31 HA CYS 31 -1.227 5.720 0.596 227 HB2 CYS 31 1HB CYS 31 1.108 5.870 0.757 228 HB3 CYS 31 2HB CYS 31 1.145 7.564 1.188 229 H GLN 32 H GLN 32 -3.000 5.845 1.541 230 HA GLN 32 HA GLN 32 -4.130 8.186 2.645 231 HB2 GLN 32 1HB GLN 32 -5.856 6.631 3.564 232 HB3 GLN 32 2HB GLN 32 -5.625 6.526 1.814 233 HG2 GLN 32 1HG GLN 32 -4.415 4.508 2.057 234 HG3 GLN 32 2HG GLN 32 -4.474 4.591 3.843 235 HE21 GLN 32 1HE2 GLN 32 -7.041 5.356 1.547 236 HE22 GLN 32 2HE2 GLN 32 -7.959 3.944 1.962 237 H ASP 33 H ASP 33 -2.044 5.791 3.815 238 HA ASP 33 HA ASP 33 -2.545 6.241 6.585 239 HB2 ASP 33 1HB ASP 33 -1.401 4.195 5.506 240 HB3 ASP 33 2HB ASP 33 0.061 5.192 5.490 241 H CYS 34 H CYS 34 -0.818 8.085 4.085 242 HA CYS 34 HA CYS 34 0.775 9.539 5.871 243 HB2 CYS 34 1HB CYS 34 -0.030 9.549 3.043 244 HB3 CYS 34 2HB CYS 34 0.433 11.082 3.740 245 H LYS 35 H LYS 35 -2.193 9.820 4.149 246 HA LYS 35 HA LYS 35 -2.611 12.605 4.555 247 HB2 LYS 35 1HB LYS 35 -4.697 10.573 3.971 248 HB3 LYS 35 2HB LYS 35 -4.750 12.305 3.620 249 HG2 LYS 35 1HG LYS 35 -3.085 10.210 2.444 250 HG3 LYS 35 2HG LYS 35 -4.485 11.109 1.781 251 HD2 LYS 35 1HD LYS 35 -1.839 12.337 2.589 252 HD3 LYS 35 2HD LYS 35 -2.244 11.973 0.912 253 HE2 LYS 35 1HE LYS 35 -4.129 13.544 1.035 254 HE3 LYS 35 2HE LYS 35 -3.738 13.884 2.721 255 HZ1 LYS 35 3HZ LYS 35 -1.603 14.758 1.991 256 HZ2 LYS 35 1HZ LYS 35 -2.879 15.597 1.288 257 HZ3 LYS 35 2HZ LYS 35 -2.006 14.462 0.388 258 H THR 36 H THR 36 -3.557 9.763 6.250 259 HA THR 36 HA THR 36 -5.476 11.313 7.387 260 HB THR 36 HB THR 36 -6.118 9.174 8.761 261 HG1 THR 36 HG1 THR 36 -4.619 7.924 6.710 262 HG21 THR 36 3HG2 THR 36 -7.394 10.005 6.868 263 HG22 THR 36 1HG2 THR 36 -7.274 8.246 6.793 264 HG23 THR 36 2HG2 THR 36 -6.263 9.247 5.746 265 H ASP 37 H ASP 37 -2.298 10.985 7.914 266 HA ASP 37 HA ASP 37 -2.268 10.456 10.726 267 HB2 ASP 37 1HB ASP 37 -0.421 9.598 9.289 268 HB3 ASP 37 2HB ASP 37 0.081 11.276 9.035 269 H ASN 38 H ASN 38 -3.438 11.914 11.332 270 HA ASN 38 HA ASN 38 -3.094 14.733 11.394 271 HB2 ASN 38 1HB ASN 38 -5.102 13.347 12.037 272 HB3 ASN 38 2HB ASN 38 -4.240 12.891 13.509 273 HD21 ASN 38 1HD2 ASN 38 -5.779 13.724 14.813 274 HD22 ASN 38 2HD2 ASN 38 -6.030 15.429 15.011 275 H LYS 39 H LYS 39 -2.934 15.242 14.330 276 HA LYS 39 HA LYS 39 -1.701 15.305 16.190 277 HB2 LYS 39 1HB LYS 39 0.137 13.288 14.926 278 HB3 LYS 39 2HB LYS 39 0.107 13.773 16.625 279 HG2 LYS 39 1HG LYS 39 -1.396 12.199 17.091 280 HG3 LYS 39 2HG LYS 39 -2.438 12.794 15.786 281 HD2 LYS 39 1HD LYS 39 -1.797 10.429 15.425 282 HD3 LYS 39 2HD LYS 39 -1.217 11.511 14.153 283 HE2 LYS 39 1HE LYS 39 1.023 11.538 15.275 284 HE3 LYS 39 2HE LYS 39 0.390 10.374 16.432 285 HZ1 LYS 39 3HZ LYS 39 0.499 9.882 13.509 286 HZ2 LYS 39 1HZ LYS 39 0.153 8.753 14.701 287 HZ3 LYS 39 2HZ LYS 39 1.701 9.403 14.569 288 H VAL 40 H VAL 40 0.469 14.769 13.537 289 HA VAL 40 HA VAL 40 2.432 16.661 14.556 290 HB VAL 40 HB VAL 40 2.598 15.257 11.895 291 HG11 VAL 40 1HG1 VAL 40 4.707 15.989 13.906 292 HG12 VAL 40 2HG1 VAL 40 4.365 16.823 12.391 293 HG13 VAL 40 3HG1 VAL 40 4.992 15.174 12.369 294 HG21 VAL 40 3HG2 VAL 40 3.195 13.987 14.560 295 HG22 VAL 40 1HG2 VAL 40 3.560 13.284 12.982 296 HG23 VAL 40 2HG2 VAL 40 1.882 13.553 13.470 297 H LYS 41 H LYS 41 3.384 18.289 13.041 298 HA LYS 41 HA LYS 41 1.826 20.307 12.066 299 HB2 LYS 41 1HB LYS 41 4.378 19.381 10.747 300 HB3 LYS 41 2HB LYS 41 3.681 20.998 10.640 301 HG2 LYS 41 1HG LYS 41 4.131 21.313 13.033 302 HG3 LYS 41 2HG LYS 41 4.837 19.697 13.102 303 HD2 LYS 41 1HD LYS 41 5.858 21.987 11.403 304 HD3 LYS 41 2HD LYS 41 6.584 21.429 12.909 305 HE2 LYS 41 1HE LYS 41 7.005 19.232 11.883 306 HE3 LYS 41 2HE LYS 41 6.280 19.798 10.381 307 HZ1 LYS 41 3HZ LYS 41 8.604 19.950 10.153 308 HZ2 LYS 41 1HZ LYS 41 8.797 20.783 11.613 309 HZ3 LYS 41 2HZ LYS 41 8.054 21.520 10.319 310 H ASP 42 H ASP 42 3.366 17.874 9.992 311 HA ASP 42 HA ASP 42 1.090 18.067 8.163 312 HB2 ASP 42 1HB ASP 42 3.200 19.125 7.317 313 HB3 ASP 42 2HB ASP 42 3.989 17.543 7.387 314 H LYS 43 H LYS 43 1.666 16.018 6.643 315 HA LYS 43 HA LYS 43 1.257 13.766 8.421 316 HB2 LYS 43 1HB LYS 43 0.713 14.246 5.508 317 HB3 LYS 43 2HB LYS 43 0.488 12.682 6.295 318 HG2 LYS 43 1HG LYS 43 -1.593 13.753 6.067 319 HG3 LYS 43 2HG LYS 43 -1.193 13.752 7.794 320 HD2 LYS 43 1HD LYS 43 -0.486 16.134 7.496 321 HD3 LYS 43 2HD LYS 43 -1.059 16.039 5.829 322 HE2 LYS 43 1HE LYS 43 -3.302 15.488 6.630 323 HE3 LYS 43 2HE LYS 43 -2.736 15.592 8.294 324 HZ1 LYS 43 3HZ LYS 43 -2.761 17.797 6.325 325 HZ2 LYS 43 1HZ LYS 43 -2.198 17.925 7.908 326 HZ3 LYS 43 2HZ LYS 43 -3.828 17.617 7.614 327 H ALA 44 H ALA 44 3.374 15.080 6.050 328 HA ALA 44 HA ALA 44 5.353 12.995 6.543 329 HB1 ALA 44 3HB ALA 44 4.363 13.573 3.754 330 HB2 ALA 44 1HB ALA 44 4.052 12.087 4.660 331 HB3 ALA 44 2HB ALA 44 5.699 12.503 4.174 332 H GLU 45 H GLU 45 4.345 16.039 5.223 333 HA GLU 45 HA GLU 45 5.274 17.933 4.736 334 HB2 GLU 45 1HB GLU 45 7.840 16.836 5.900 335 HB3 GLU 45 2HB GLU 45 7.603 18.491 5.334 336 HG2 GLU 45 1HG GLU 45 5.953 18.848 7.078 337 HG3 GLU 45 2HG GLU 45 6.155 17.177 7.610 338 H GLU 46 H GLU 46 4.921 17.604 2.513 339 HA GLU 46 HA GLU 46 6.973 16.529 0.950 340 HB2 GLU 46 1HB GLU 46 4.595 16.757 0.225 341 HB3 GLU 46 2HB GLU 46 4.798 18.515 0.274 342 HG2 GLU 46 1HG GLU 46 6.579 18.306 -1.316 343 HG3 GLU 46 2HG GLU 46 6.229 16.571 -1.437 344 H GLU 47 H GLU 47 8.758 17.450 1.668 345 HA GLU 47 HA GLU 47 9.137 20.171 2.289 346 HB2 GLU 47 1HB GLU 47 10.310 18.327 3.361 347 HB3 GLU 47 2HB GLU 47 11.055 17.909 1.816 348 HG2 GLU 47 1HG GLU 47 12.148 20.078 1.810 349 HG3 GLU 47 2HG GLU 47 11.482 20.397 3.424 350 H THR 48 H THR 48 10.223 18.016 -0.336 351 HA THR 48 HA THR 48 10.835 20.407 -1.827 352 HB THR 48 HB THR 48 12.355 18.923 -3.143 353 HG1 THR 48 HG1 THR 48 11.850 17.039 -1.014 354 HG21 THR 48 3HG2 THR 48 14.183 18.923 -1.484 355 HG22 THR 48 1HG2 THR 48 12.996 19.191 -0.210 356 HG23 THR 48 2HG2 THR 48 13.259 20.426 -1.441 357 H GLU 49 H GLU 49 10.556 17.125 -2.948 358 HA GLU 49 HA GLU 49 7.917 17.528 -4.089 359 HB2 GLU 49 1HB GLU 49 10.275 16.741 -5.802 360 HB3 GLU 49 2HB GLU 49 8.585 16.846 -6.315 361 HG2 GLU 49 1HG GLU 49 8.671 19.242 -5.863 362 HG3 GLU 49 2HG GLU 49 10.387 19.074 -5.492 363 H GLU 50 H GLU 50 8.364 16.037 -2.100 364 HA GLU 50 HA GLU 50 9.276 13.465 -2.597 365 HB2 GLU 50 1HB GLU 50 7.393 14.529 -0.509 366 HB3 GLU 50 2HB GLU 50 7.890 12.849 -0.556 367 HG2 GLU 50 1HG GLU 50 9.255 13.997 1.055 368 HG3 GLU 50 2HG GLU 50 10.223 13.571 -0.359 369 H LYS 51 H LYS 51 8.523 12.264 -4.218 370 HA LYS 51 HA LYS 51 5.756 11.561 -4.050 371 HB2 LYS 51 1HB LYS 51 5.718 11.018 -6.429 372 HB3 LYS 51 2HB LYS 51 5.910 12.762 -6.206 373 HG2 LYS 51 1HG LYS 51 8.077 10.786 -6.915 374 HG3 LYS 51 2HG LYS 51 7.134 11.658 -8.125 375 HD2 LYS 51 1HD LYS 51 8.728 12.916 -5.966 376 HD3 LYS 51 2HD LYS 51 9.390 12.622 -7.589 377 HE2 LYS 51 1HE LYS 51 7.011 14.380 -6.877 378 HE3 LYS 51 2HE LYS 51 8.614 14.946 -7.323 379 HZ1 LYS 51 3HZ LYS 51 8.321 13.976 -9.502 380 HZ2 LYS 51 1HZ LYS 51 7.082 15.069 -9.162 381 HZ3 LYS 51 2HZ LYS 51 6.781 13.418 -9.096 382 HA PRO 52 HA PRO 52 8.214 7.925 -3.103 383 HB2 PRO 52 1HB PRO 52 6.534 6.933 -1.312 384 HB3 PRO 52 2HB PRO 52 7.497 8.386 -0.951 385 HG2 PRO 52 1HG PRO 52 4.649 8.176 -1.863 386 HG3 PRO 52 2HG PRO 52 5.313 9.108 -0.502 387 HD2 PRO 52 1HD PRO 52 4.839 10.249 -2.930 388 HD3 PRO 52 2HD PRO 52 6.182 10.715 -1.849 389 H SER 53 H SER 53 7.474 5.574 -2.859 390 HA SER 53 HA SER 53 5.955 4.798 -5.154 391 HG SER 53 HG SER 53 6.887 3.488 -2.164 392 HB2 SER 53 1HB SER 53 6.770 2.564 -4.340 393 HB3 SER 53 2HB SER 53 8.084 3.715 -4.669 394 H VAL 54 H VAL 54 4.016 3.761 -4.893 395 HA VAL 54 HA VAL 54 2.867 3.905 -2.152 396 HB VAL 54 HB VAL 54 1.237 4.372 -4.694 397 HG11 VAL 54 1HG1 VAL 54 -0.492 4.955 -3.261 398 HG12 VAL 54 2HG1 VAL 54 0.539 4.808 -1.825 399 HG13 VAL 54 3HG1 VAL 54 0.110 3.367 -2.764 400 HG21 VAL 54 3HG2 VAL 54 1.128 6.671 -4.057 401 HG22 VAL 54 1HG2 VAL 54 2.820 6.214 -4.268 402 HG23 VAL 54 2HG2 VAL 54 2.143 6.382 -2.641 403 H TRP 55 H TRP 55 2.563 2.205 -1.414 404 HA TRP 55 HA TRP 55 2.030 -0.138 -3.091 405 HD1 TRP 55 HD1 TRP 55 5.175 1.652 -1.317 406 HE1 TRP 55 HE1 TRP 55 7.331 1.144 -2.638 407 HE3 TRP 55 HE3 TRP 55 4.025 -3.020 -3.021 408 HZ2 TRP 55 HZ2 TRP 55 8.405 -0.945 -4.170 409 HZ3 TRP 55 HZ3 TRP 55 5.679 -4.214 -4.401 410 HH2 TRP 55 HH2 TRP 55 7.820 -3.194 -4.964 411 HB2 TRP 55 1HB TRP 55 3.278 -0.052 -0.331 412 HB3 TRP 55 2HB TRP 55 2.986 -1.511 -1.285 413 H LEU 56 H LEU 56 0.287 -1.072 -2.908 414 HA LEU 56 HA LEU 56 -1.559 -0.305 -0.770 415 HG LEU 56 HG LEU 56 -3.753 -1.664 -1.167 416 HB2 LEU 56 1HB LEU 56 -2.468 0.210 -2.881 417 HB3 LEU 56 2HB LEU 56 -2.243 -1.420 -3.504 418 HD11 LEU 56 1HD1 LEU 56 -4.246 0.653 -1.136 419 HD12 LEU 56 2HD1 LEU 56 -5.696 -0.258 -1.556 420 HD13 LEU 56 3HD1 LEU 56 -4.805 0.606 -2.808 421 HD21 LEU 56 3HD2 LEU 56 -3.970 -3.110 -3.001 422 HD22 LEU 56 1HD2 LEU 56 -4.510 -1.807 -4.062 423 HD23 LEU 56 2HD2 LEU 56 -5.546 -2.356 -2.730 424 H CYS 57 H CYS 57 -2.059 -1.697 0.701 425 HA CYS 57 HA CYS 57 -1.110 -4.387 0.941 426 HB2 CYS 57 1HB CYS 57 -1.715 -2.724 2.784 427 HB3 CYS 57 2HB CYS 57 -3.394 -3.053 2.380 428 H LEU 58 H LEU 58 -1.820 -6.004 -0.394 429 HA LEU 58 HA LEU 58 -4.308 -6.026 -1.793 430 HG LEU 58 HG LEU 58 -2.048 -5.801 -2.976 431 HB2 LEU 58 1HB LEU 58 -2.020 -7.865 -1.253 432 HB3 LEU 58 2HB LEU 58 -3.395 -8.349 -2.229 433 HD11 LEU 58 1HD1 LEU 58 -0.213 -7.392 -2.596 434 HD12 LEU 58 2HD1 LEU 58 -0.467 -6.980 -4.292 435 HD13 LEU 58 3HD1 LEU 58 -1.033 -8.549 -3.664 436 HD21 LEU 58 3HD2 LEU 58 -4.047 -6.561 -4.094 437 HD22 LEU 58 1HD2 LEU 58 -3.265 -8.117 -4.393 438 HD23 LEU 58 2HD2 LEU 58 -2.640 -6.669 -5.176 439 H LYS 59 H LYS 59 -3.534 -6.552 1.149 440 HA LYS 59 HA LYS 59 -5.459 -8.619 1.741 441 HB2 LYS 59 1HB LYS 59 -3.446 -8.876 2.876 442 HB3 LYS 59 2HB LYS 59 -3.403 -7.175 3.353 443 HG2 LYS 59 1HG LYS 59 -3.929 -8.440 5.285 444 HG3 LYS 59 2HG LYS 59 -5.333 -7.549 4.661 445 HD2 LYS 59 1HD LYS 59 -6.315 -9.420 3.818 446 HD3 LYS 59 2HD LYS 59 -4.951 -10.514 4.045 447 HE2 LYS 59 1HE LYS 59 -5.124 -9.945 6.458 448 HE3 LYS 59 2HE LYS 59 -6.693 -9.173 6.052 449 HZ1 LYS 59 3HZ LYS 59 -6.043 -12.082 5.867 450 HZ2 LYS 59 1HZ LYS 59 -7.491 -11.400 5.289 451 HZ3 LYS 59 2HZ LYS 59 -7.108 -11.311 6.911 452 H CYS 60 H CYS 60 -5.079 -5.136 2.337 453 HA CYS 60 HA CYS 60 -7.902 -5.184 3.240 454 HB2 CYS 60 1HB CYS 60 -7.543 -3.851 5.160 455 HB3 CYS 60 2HB CYS 60 -6.361 -5.175 5.171 456 H GLY 61 H GLY 61 -5.815 -3.693 1.180 457 HA2 GLY 61 1HA GLY 61 -6.349 -2.010 -0.263 458 HA3 GLY 61 2HA GLY 61 -7.808 -1.664 0.683 459 H HIS 62 H HIS 62 -5.001 -1.882 2.558 460 HA HIS 62 HA HIS 62 -4.843 0.923 3.240 461 HD1 HIS 62 HD1 HIS 62 -2.616 1.678 5.721 462 HD2 HIS 62 HD2 HIS 62 -0.623 -0.857 3.107 463 HE1 HIS 62 HE1 HIS 62 -0.161 2.355 5.748 464 HB2 HIS 62 1HB HIS 62 -4.015 -0.426 4.972 465 HB3 HIS 62 2HB HIS 62 -3.234 -1.550 3.862 466 H GLN 63 H GLN 63 -3.890 2.394 2.360 467 HA GLN 63 HA GLN 63 -2.020 1.639 0.295 468 HB2 GLN 63 1HB GLN 63 -4.180 3.156 0.031 469 HB3 GLN 63 2HB GLN 63 -2.941 4.393 0.302 470 HG2 GLN 63 1HG GLN 63 -1.630 3.543 -1.479 471 HG3 GLN 63 2HG GLN 63 -2.794 2.251 -1.797 472 HE21 GLN 63 1HE2 GLN 63 -4.999 4.193 -1.216 473 HE22 GLN 63 2HE2 GLN 63 -5.034 5.208 -2.618 474 H GLY 64 H GLY 64 -0.050 1.971 0.832 475 HA2 GLY 64 1HA GLY 64 0.685 4.130 2.631 476 HA3 GLY 64 2HA GLY 64 1.252 2.477 2.855 477 H CYS 65 H CYS 65 2.798 4.662 2.584 478 HA CYS 65 HA CYS 65 3.834 4.539 -0.095 479 HB2 CYS 65 1HB CYS 65 5.243 6.478 0.643 480 HB3 CYS 65 2HB CYS 65 3.506 6.739 0.798 481 H GLY 66 H GLY 66 5.707 3.632 -0.558 482 HA2 GLY 66 1HA GLY 66 6.821 1.811 1.446 483 HA3 GLY 66 2HA GLY 66 7.101 1.735 -0.297 484 H ARG 67 H ARG 67 9.277 1.485 -0.064 485 HA ARG 67 HA ARG 67 10.975 2.890 1.632 486 HE ARG 67 HE ARG 67 12.153 -1.243 -3.058 487 HB2 ARG 67 1HB ARG 67 12.840 2.118 0.154 488 HB3 ARG 67 2HB ARG 67 11.758 0.881 0.783 489 HG2 ARG 67 1HG ARG 67 10.671 0.680 -1.269 490 HG3 ARG 67 2HG ARG 67 11.550 2.059 -1.958 491 HD2 ARG 67 1HD ARG 67 13.646 0.811 -1.756 492 HD3 ARG 67 2HD ARG 67 12.774 -0.532 -1.011 493 HH11 ARG 67 1HH1 ARG 67 13.100 2.180 -3.466 494 HH12 ARG 67 2HH1 ARG 67 13.068 2.104 -5.151 495 HH21 ARG 67 1HH2 ARG 67 12.115 -1.276 -5.391 496 HH22 ARG 67 2HH2 ARG 67 12.521 0.112 -6.274 497 H ASN 68 H ASN 68 9.744 4.049 -1.325 498 HA ASN 68 HA ASN 68 11.847 5.985 -1.647 499 HB2 ASN 68 1HB ASN 68 9.122 5.876 -2.917 500 HB3 ASN 68 2HB ASN 68 10.413 6.985 -3.389 501 HD21 ASN 68 1HD2 ASN 68 10.527 6.258 -5.491 502 HD22 ASN 68 2HD2 ASN 68 11.078 4.673 -5.898 503 H SER 69 H SER 69 9.810 5.848 0.818 504 HA SER 69 HA SER 69 9.271 8.712 0.738 505 HG SER 69 HG SER 69 8.033 5.571 1.989 506 HB2 SER 69 1HB SER 69 7.492 8.324 2.333 507 HB3 SER 69 2HB SER 69 7.208 7.379 0.860 508 H GLN 70 H GLN 70 9.230 9.630 3.038 509 HA GLN 70 HA GLN 70 11.651 8.890 4.378 510 HB2 GLN 70 1HB GLN 70 10.862 11.246 4.144 511 HB3 GLN 70 2HB GLN 70 9.522 10.860 5.230 512 HG2 GLN 70 1HG GLN 70 11.231 10.249 6.954 513 HG3 GLN 70 2HG GLN 70 12.460 10.900 5.872 514 HE21 GLN 70 1HE2 GLN 70 12.531 13.133 5.521 515 HE22 GLN 70 2HE2 GLN 70 11.686 14.238 6.553 516 H GLU 71 H GLU 71 8.214 8.463 4.890 517 HA GLU 71 HA GLU 71 8.580 7.537 7.631 518 HB2 GLU 71 1HB GLU 71 6.186 8.048 5.940 519 HB3 GLU 71 2HB GLU 71 6.063 7.132 7.445 520 HG2 GLU 71 1HG GLU 71 7.157 9.913 7.183 521 HG3 GLU 71 2HG GLU 71 5.514 9.478 7.701 522 H GLN 72 H GLN 72 7.823 6.161 4.505 523 HA GLN 72 HA GLN 72 7.371 4.102 3.813 524 HB2 GLN 72 1HB GLN 72 9.261 3.416 6.065 525 HB3 GLN 72 2HB GLN 72 8.754 2.248 4.843 526 HG2 GLN 72 1HG GLN 72 9.697 3.812 3.123 527 HG3 GLN 72 2HG GLN 72 10.415 4.709 4.459 528 HE21 GLN 72 1HE2 GLN 72 10.327 1.767 2.843 529 HE22 GLN 72 2HE2 GLN 72 11.944 1.362 3.322 530 H HIS 73 H HIS 73 5.184 4.864 4.918 531 HA HIS 73 HA HIS 73 4.283 3.746 7.223 532 HD2 HIS 73 HD2 HIS 73 3.414 5.627 8.651 533 HE1 HIS 73 HE1 HIS 73 2.633 9.116 6.338 534 HE2 HIS 73 HE2 HIS 73 3.104 8.225 8.742 535 HB2 HIS 73 1HB HIS 73 3.037 4.835 4.767 536 HB3 HIS 73 2HB HIS 73 2.070 4.149 6.064 537 H ALA 74 H ALA 74 4.389 2.416 3.971 538 HA ALA 74 HA ALA 74 2.642 0.133 4.435 539 HB1 ALA 74 3HB ALA 74 3.260 0.961 2.158 540 HB2 ALA 74 1HB ALA 74 3.629 -0.747 2.399 541 HB3 ALA 74 2HB ALA 74 4.918 0.453 2.469 542 H LEU 75 H LEU 75 6.014 0.752 4.960 543 HA LEU 75 HA LEU 75 6.647 -1.960 5.624 544 HG LEU 75 HG LEU 75 9.854 -0.117 4.599 545 HB2 LEU 75 1HB LEU 75 8.084 0.670 6.053 546 HB3 LEU 75 2HB LEU 75 8.720 -0.858 6.648 547 HD11 LEU 75 1HD1 LEU 75 8.217 -2.596 4.217 548 HD12 LEU 75 2HD1 LEU 75 9.772 -2.454 5.050 549 HD13 LEU 75 3HD1 LEU 75 9.671 -2.156 3.313 550 HD21 LEU 75 3HD2 LEU 75 8.011 1.072 3.464 551 HD22 LEU 75 1HD2 LEU 75 7.189 -0.465 3.219 552 HD23 LEU 75 2HD2 LEU 75 8.727 -0.150 2.422 553 H LYS 76 H LYS 76 6.101 1.067 7.566 554 HA LYS 76 HA LYS 76 6.013 -0.012 10.012 555 HB2 LYS 76 1HB LYS 76 4.334 2.186 8.818 556 HB3 LYS 76 2HB LYS 76 4.445 1.828 10.551 557 HG2 LYS 76 1HG LYS 76 6.867 2.164 10.345 558 HG3 LYS 76 2HG LYS 76 6.576 2.651 8.665 559 HD2 LYS 76 1HD LYS 76 5.346 4.565 9.349 560 HD3 LYS 76 2HD LYS 76 5.263 3.995 11.033 561 HE2 LYS 76 1HE LYS 76 7.679 3.984 11.043 562 HE3 LYS 76 2HE LYS 76 7.680 4.840 9.495 563 HZ1 LYS 76 3HZ LYS 76 6.587 6.765 10.546 564 HZ2 LYS 76 1HZ LYS 76 7.957 6.362 11.414 565 HZ3 LYS 76 2HZ LYS 76 6.464 5.934 12.008 566 H HIS 77 H HIS 77 3.546 -0.221 7.505 567 HA HIS 77 HA HIS 77 1.467 -1.081 9.231 568 HD1 HIS 77 HD1 HIS 77 -1.242 -0.311 8.271 569 HD2 HIS 77 HD2 HIS 77 -0.106 -3.401 5.726 570 HE1 HIS 77 HE1 HIS 77 -3.346 -1.514 7.674 571 HB2 HIS 77 1HB HIS 77 1.092 0.005 7.067 572 HB3 HIS 77 2HB HIS 77 1.750 -1.401 6.230 573 H TYR 78 H TYR 78 3.926 -2.631 7.299 574 HA TYR 78 HA TYR 78 2.989 -5.245 7.957 575 HD1 TYR 78 HD1 TYR 78 3.510 -7.363 6.943 576 HD2 TYR 78 HD2 TYR 78 7.425 -5.806 7.568 577 HE1 TYR 78 HE1 TYR 78 4.347 -9.637 7.329 578 HE2 TYR 78 HE2 TYR 78 8.271 -8.083 7.956 579 HH TYR 78 HH TYR 78 6.286 -10.885 7.359 580 HB2 TYR 78 1HB TYR 78 4.361 -4.965 6.067 581 HB3 TYR 78 2HB TYR 78 5.701 -4.317 7.029 582 H LEU 79 H LEU 79 5.253 -2.929 9.584 583 HA LEU 79 HA LEU 79 6.067 -4.909 11.398 584 HG LEU 79 HG LEU 79 7.541 -2.710 9.458 585 HB2 LEU 79 1HB LEU 79 6.397 -1.911 11.383 586 HB3 LEU 79 2HB LEU 79 7.246 -3.048 12.431 587 HD11 LEU 79 1HD1 LEU 79 9.872 -2.216 10.004 588 HD12 LEU 79 2HD1 LEU 79 9.480 -2.329 11.719 589 HD13 LEU 79 3HD1 LEU 79 8.743 -1.073 10.725 590 HD21 LEU 79 3HD2 LEU 79 8.724 -4.830 11.242 591 HD22 LEU 79 1HD2 LEU 79 9.201 -4.532 9.558 592 HD23 LEU 79 2HD2 LEU 79 7.552 -5.044 9.944 593 H THR 80 H THR 80 3.302 -3.307 10.951 594 HA THR 80 HA THR 80 2.587 -2.612 13.624 595 HB THR 80 HB THR 80 0.798 -3.461 11.327 596 HG1 THR 80 HG1 THR 80 2.212 -1.335 11.494 597 HG21 THR 80 3HG2 THR 80 -0.335 -3.752 13.463 598 HG22 THR 80 1HG2 THR 80 -1.036 -2.385 12.603 599 HG23 THR 80 2HG2 THR 80 0.082 -2.110 13.941 600 HA PRO 81 HA PRO 81 2.186 -6.937 14.886 601 HB2 PRO 81 1HB PRO 81 1.298 -6.564 17.387 602 HB3 PRO 81 2HB PRO 81 2.996 -6.302 16.931 603 HG2 PRO 81 1HG PRO 81 0.801 -4.333 17.294 604 HG3 PRO 81 2HG PRO 81 2.513 -4.319 17.823 605 HD2 PRO 81 1HD PRO 81 1.610 -2.969 15.600 606 HD3 PRO 81 2HD PRO 81 3.272 -3.590 15.773 607 H ARG 82 H ARG 82 0.691 -8.089 14.439 608 HA ARG 82 HA ARG 82 -2.085 -7.666 15.057 609 HE ARG 82 HE ARG 82 -3.306 -5.957 11.093 610 HB2 ARG 82 1HB ARG 82 -2.715 -7.949 12.543 611 HB3 ARG 82 2HB ARG 82 -2.322 -6.348 13.183 612 HG2 ARG 82 1HG ARG 82 -0.153 -6.425 12.185 613 HG3 ARG 82 2HG ARG 82 -0.367 -8.123 11.726 614 HD2 ARG 82 1HD ARG 82 -0.691 -6.426 9.861 615 HD3 ARG 82 2HD ARG 82 -1.989 -7.582 10.130 616 HH11 ARG 82 1HH1 ARG 82 -0.340 -4.457 9.771 617 HH12 ARG 82 2HH1 ARG 82 -1.045 -2.916 9.687 618 HH21 ARG 82 1HH2 ARG 82 -4.238 -3.849 10.870 619 HH22 ARG 82 2HH2 ARG 82 -3.314 -2.550 10.311 620 H SER 83 H SER 83 -3.482 -9.396 14.137 621 HA SER 83 HA SER 83 -2.150 -11.933 14.525 622 HG SER 83 HG SER 83 -3.703 -13.576 15.048 623 HB2 SER 83 1HB SER 83 -4.312 -11.374 15.672 624 HB3 SER 83 2HB SER 83 -5.089 -11.313 14.096 625 H GLU 84 H GLU 84 -4.033 -10.200 12.074 626 HA GLU 84 HA GLU 84 -3.667 -12.220 10.072 627 HB2 GLU 84 1HB GLU 84 -4.417 -9.305 9.802 628 HB3 GLU 84 2HB GLU 84 -4.557 -10.524 8.532 629 HG2 GLU 84 1HG GLU 84 -6.246 -11.663 9.971 630 HG3 GLU 84 2HG GLU 84 -6.169 -10.276 11.062 631 HA PRO 85 HA PRO 85 0.362 -10.881 9.048 632 HB2 PRO 85 1HB PRO 85 0.476 -11.523 6.349 633 HB3 PRO 85 2HB PRO 85 0.784 -12.630 7.702 634 HG2 PRO 85 1HG PRO 85 -1.486 -12.460 5.882 635 HG3 PRO 85 2HG PRO 85 -1.011 -13.774 6.976 636 HD2 PRO 85 1HD PRO 85 -3.117 -11.889 7.319 637 HD3 PRO 85 2HD PRO 85 -2.536 -13.140 8.449 638 H HIS 86 H HIS 86 -1.839 -9.944 6.422 639 HA HIS 86 HA HIS 86 -1.958 -8.077 5.039 640 HD2 HIS 86 HD2 HIS 86 -3.256 -8.577 8.334 641 HE1 HIS 86 HE1 HIS 86 -5.937 -5.521 7.208 642 HE2 HIS 86 HE2 HIS 86 -5.696 -7.680 8.511 643 HB2 HIS 86 1HB HIS 86 -0.979 -6.800 7.602 644 HB3 HIS 86 2HB HIS 86 -1.410 -5.867 6.161 645 H CYS 87 H CYS 87 0.198 -9.599 4.650 646 HA CYS 87 HA CYS 87 2.504 -7.870 4.775 647 HG CYS 87 HG CYS 87 1.593 -11.376 2.955 648 HB2 CYS 87 1HB CYS 87 3.761 -9.941 4.105 649 HB3 CYS 87 2HB CYS 87 2.992 -9.856 5.694 650 H LEU 88 H LEU 88 0.288 -8.071 2.614 651 HA LEU 88 HA LEU 88 1.984 -8.292 0.198 652 HG LEU 88 HG LEU 88 0.532 -10.868 1.238 653 HB2 LEU 88 1HB LEU 88 -0.764 -9.229 0.760 654 HB3 LEU 88 2HB LEU 88 -0.272 -9.047 -0.895 655 HD11 LEU 88 1HD1 LEU 88 -1.154 -11.725 -0.304 656 HD12 LEU 88 2HD1 LEU 88 0.421 -12.564 -0.522 657 HD13 LEU 88 3HD1 LEU 88 -0.061 -11.319 -1.663 658 HD21 LEU 88 3HD2 LEU 88 2.217 -10.301 -1.139 659 HD22 LEU 88 1HD2 LEU 88 2.384 -11.765 -0.157 660 HD23 LEU 88 2HD2 LEU 88 2.613 -10.185 0.583 661 H VAL 89 H VAL 89 2.376 -6.794 -0.774 662 HA VAL 89 HA VAL 89 0.266 -4.791 -0.971 663 HB VAL 89 HB VAL 89 1.905 -2.984 -0.869 664 HG11 VAL 89 1HG1 VAL 89 2.455 -3.044 1.526 665 HG12 VAL 89 2HG1 VAL 89 1.972 -4.742 1.557 666 HG13 VAL 89 3HG1 VAL 89 0.775 -3.486 1.198 667 HG21 VAL 89 3HG2 VAL 89 3.785 -4.295 -1.621 668 HG22 VAL 89 1HG2 VAL 89 3.909 -5.073 -0.050 669 HG23 VAL 89 2HG2 VAL 89 4.204 -3.323 -0.199 670 H LEU 90 H LEU 90 0.090 -3.939 -2.946 671 HA LEU 90 HA LEU 90 2.020 -4.844 -4.935 672 HG LEU 90 HG LEU 90 -1.061 -2.909 -4.671 673 HB2 LEU 90 1HB LEU 90 0.347 -4.582 -6.603 674 HB3 LEU 90 2HB LEU 90 -0.443 -5.383 -5.255 675 HD11 LEU 90 1HD1 LEU 90 -0.813 -2.931 -7.639 676 HD12 LEU 90 2HD1 LEU 90 0.123 -1.954 -6.516 677 HD13 LEU 90 3HD1 LEU 90 -1.624 -1.650 -6.719 678 HD21 LEU 90 3HD2 LEU 90 -2.498 -4.627 -6.685 679 HD22 LEU 90 1HD2 LEU 90 -3.208 -3.232 -5.869 680 HD23 LEU 90 2HD2 LEU 90 -2.699 -4.627 -4.927 681 H SER 91 H SER 91 2.799 -3.260 -6.467 682 HA SER 91 HA SER 91 3.044 -0.683 -5.212 683 HG SER 91 HG SER 91 5.536 -2.200 -8.012 684 HB2 SER 91 1HB SER 91 5.096 -0.481 -6.460 685 HB3 SER 91 2HB SER 91 4.932 -2.191 -6.028 686 H LEU 92 H LEU 92 2.150 1.097 -6.043 687 HA LEU 92 HA LEU 92 0.463 0.904 -8.407 688 HG LEU 92 HG LEU 92 -0.640 0.966 -5.861 689 HB2 LEU 92 1HB LEU 92 0.933 2.955 -6.284 690 HB3 LEU 92 2HB LEU 92 -0.071 3.271 -7.698 691 HD11 LEU 92 1HD1 LEU 92 -2.209 2.401 -4.746 692 HD12 LEU 92 2HD1 LEU 92 -1.731 3.755 -5.766 693 HD13 LEU 92 3HD1 LEU 92 -0.588 3.078 -4.601 694 HD21 LEU 92 3HD2 LEU 92 -1.661 1.061 -8.115 695 HD22 LEU 92 1HD2 LEU 92 -2.284 2.660 -7.665 696 HD23 LEU 92 2HD2 LEU 92 -2.826 1.209 -6.780 697 H ASP 93 H ASP 93 3.446 1.063 -8.229 698 HA ASP 93 HA ASP 93 3.897 3.380 -9.989 699 HB2 ASP 93 1HB ASP 93 5.891 1.879 -8.262 700 HB3 ASP 93 2HB ASP 93 6.246 3.280 -9.285 701 H ASN 94 H ASN 94 5.047 0.107 -9.295 702 HA ASN 94 HA ASN 94 5.717 -0.207 -12.138 703 HB2 ASN 94 1HB ASN 94 6.772 -1.559 -9.661 704 HB3 ASN 94 2HB ASN 94 7.072 -2.197 -11.283 705 HD21 ASN 94 1HD2 ASN 94 8.485 -1.107 -12.564 706 HD22 ASN 94 2HD2 ASN 94 9.497 0.160 -11.921 707 H TRP 95 H TRP 95 3.434 -0.999 -9.905 708 HA TRP 95 HA TRP 95 1.858 -2.509 -9.648 709 HD1 TRP 95 HD1 TRP 95 1.665 -0.291 -13.271 710 HE1 TRP 95 HE1 TRP 95 -0.316 1.285 -12.848 711 HE3 TRP 95 HE3 TRP 95 -0.899 -3.102 -9.870 712 HZ2 TRP 95 HZ2 TRP 95 -2.658 1.343 -11.260 713 HZ3 TRP 95 HZ3 TRP 95 -2.994 -2.210 -8.943 714 HH2 TRP 95 HH2 TRP 95 -3.849 -0.035 -9.627 715 HB2 TRP 95 1HB TRP 95 2.179 -2.761 -12.641 716 HB3 TRP 95 2HB TRP 95 0.943 -3.646 -11.750 717 H SER 96 H SER 96 3.999 -3.390 -8.612 718 HA SER 96 HA SER 96 4.144 -6.184 -9.489 719 HG SER 96 HG SER 96 7.287 -4.301 -9.446 720 HB2 SER 96 1HB SER 96 6.045 -4.759 -7.682 721 HB3 SER 96 2HB SER 96 6.240 -6.329 -8.457 722 H VAL 97 H VAL 97 4.670 -7.536 -7.470 723 HA VAL 97 HA VAL 97 3.083 -6.525 -5.246 724 HB VAL 97 HB VAL 97 3.253 -9.277 -6.458 725 HG11 VAL 97 1HG1 VAL 97 3.647 -9.479 -4.108 726 HG12 VAL 97 2HG1 VAL 97 2.023 -10.094 -4.531 727 HG13 VAL 97 3HG1 VAL 97 2.222 -8.495 -3.755 728 HG21 VAL 97 3HG2 VAL 97 0.928 -7.635 -5.544 729 HG22 VAL 97 1HG2 VAL 97 0.924 -9.177 -6.401 730 HG23 VAL 97 2HG2 VAL 97 1.525 -7.714 -7.211 731 H TRP 98 H TRP 98 3.925 -6.833 -3.261 732 HA TRP 98 HA TRP 98 6.571 -8.048 -3.134 733 HD1 TRP 98 HD1 TRP 98 7.071 -6.541 0.716 734 HE1 TRP 98 HE1 TRP 98 9.531 -7.183 1.135 735 HE3 TRP 98 HE3 TRP 98 8.762 -6.417 -4.091 736 HZ2 TRP 98 HZ2 TRP 98 11.812 -7.601 -0.356 737 HZ3 TRP 98 HZ3 TRP 98 11.106 -6.952 -4.532 738 HH2 TRP 98 HH2 TRP 98 12.638 -7.519 -2.697 739 HB2 TRP 98 1HB TRP 98 6.616 -5.436 -2.859 740 HB3 TRP 98 2HB TRP 98 5.736 -5.754 -1.363 741 H CYS 99 H CYS 99 6.777 -9.608 -1.565 742 HA CYS 99 HA CYS 99 4.550 -9.690 0.293 743 HB2 CYS 99 1HB CYS 99 4.334 -11.647 -1.030 744 HB3 CYS 99 2HB CYS 99 6.041 -12.067 -0.973 745 H TYR 100 H TYR 100 5.180 -9.065 2.148 746 HA TYR 100 HA TYR 100 7.918 -8.499 2.663 747 HD1 TYR 100 HD1 TYR 100 8.061 -6.056 3.389 748 HD2 TYR 100 HD2 TYR 100 4.029 -7.188 3.929 749 HE1 TYR 100 HE1 TYR 100 7.369 -3.800 2.708 750 HE2 TYR 100 HE2 TYR 100 3.289 -4.917 3.236 751 HH TYR 100 HH TYR 100 4.193 -2.690 3.152 752 HB2 TYR 100 1HB TYR 100 5.601 -8.603 4.551 753 HB3 TYR 100 2HB TYR 100 7.207 -8.004 4.954 754 H VAL 101 H VAL 101 6.020 -11.244 3.395 755 HA VAL 101 HA VAL 101 7.958 -12.192 5.331 756 HB VAL 101 HB VAL 101 5.654 -12.517 5.851 757 HG11 VAL 101 1HG1 VAL 101 4.258 -14.099 4.482 758 HG12 VAL 101 2HG1 VAL 101 5.561 -13.918 3.259 759 HG13 VAL 101 3HG1 VAL 101 4.661 -12.523 3.783 760 HG21 VAL 101 3HG2 VAL 101 7.112 -14.258 6.718 761 HG22 VAL 101 1HG2 VAL 101 6.935 -15.181 5.225 762 HG23 VAL 101 2HG2 VAL 101 5.550 -14.957 6.287 763 H CYS 102 H CYS 102 7.344 -12.567 1.933 764 HA CYS 102 HA CYS 102 9.001 -14.949 1.743 765 HB2 CYS 102 1HB CYS 102 7.476 -13.214 -0.146 766 HB3 CYS 102 2HB CYS 102 8.827 -14.163 -0.765 767 H ASP 103 H ASP 103 8.887 -11.594 1.431 768 HA ASP 103 HA ASP 103 10.229 -9.921 1.032 769 HB2 ASP 103 1HB ASP 103 11.435 -10.621 3.021 770 HB3 ASP 103 2HB ASP 103 12.443 -11.725 2.068 771 H ASN 104 H ASN 104 9.445 -10.813 -1.162 772 HA ASN 104 HA ASN 104 11.594 -10.194 -2.852 773 HB2 ASN 104 1HB ASN 104 11.455 -12.161 -4.200 774 HB3 ASN 104 2HB ASN 104 11.589 -12.730 -2.519 775 HD21 ASN 104 1HD2 ASN 104 9.456 -12.227 -5.147 776 HD22 ASN 104 2HD2 ASN 104 8.101 -13.012 -4.434 777 H GLU 105 H GLU 105 10.500 -10.282 -5.132 778 HA GLU 105 HA GLU 105 8.061 -8.773 -4.956 779 HB2 GLU 105 1HB GLU 105 10.129 -8.152 -6.033 780 HB3 GLU 105 2HB GLU 105 9.803 -9.378 -7.262 781 HG2 GLU 105 1HG GLU 105 7.932 -8.329 -8.077 782 HG3 GLU 105 2HG GLU 105 7.755 -7.327 -6.626 783 H VAL 106 H VAL 106 6.197 -9.700 -5.924 784 HA VAL 106 HA VAL 106 6.473 -12.508 -6.759 785 HB VAL 106 HB VAL 106 3.832 -11.187 -6.013 786 HG11 VAL 106 1HG1 VAL 106 3.070 -13.515 -5.801 787 HG12 VAL 106 2HG1 VAL 106 4.658 -14.091 -6.303 788 HG13 VAL 106 3HG1 VAL 106 3.649 -13.193 -7.437 789 HG21 VAL 106 3HG2 VAL 106 5.388 -11.176 -4.122 790 HG22 VAL 106 1HG2 VAL 106 5.720 -12.884 -4.387 791 HG23 VAL 106 2HG2 VAL 106 4.110 -12.375 -3.863 792 H GLN 107 H GLN 107 5.711 -13.347 -8.550 793 HA GLN 107 HA GLN 107 5.773 -11.610 -10.846 794 HB2 GLN 107 1HB GLN 107 5.381 -14.599 -10.898 795 HB3 GLN 107 2HB GLN 107 6.054 -13.559 -12.153 796 HG2 GLN 107 1HG GLN 107 7.871 -14.778 -11.272 797 HG3 GLN 107 2HG GLN 107 7.997 -13.167 -10.566 798 HE21 GLN 107 1HE2 GLN 107 9.105 -13.827 -8.775 799 HE22 GLN 107 2HE2 GLN 107 8.433 -14.814 -7.526 800 H TYR 108 H TYR 108 3.646 -14.008 -9.497 801 HA TYR 108 HA TYR 108 1.536 -14.749 -9.893 802 HD1 TYR 108 HD1 TYR 108 -0.312 -11.438 -11.411 803 HD2 TYR 108 HD2 TYR 108 2.271 -11.101 -8.132 804 HE1 TYR 108 HE1 TYR 108 -0.008 -9.064 -11.949 805 HE2 TYR 108 HE2 TYR 108 2.633 -8.789 -8.559 806 HH TYR 108 HH TYR 108 2.468 -7.200 -10.547 807 HB2 TYR 108 1HB TYR 108 -0.264 -13.073 -9.692 808 HB3 TYR 108 2HB TYR 108 0.972 -13.020 -8.430 809 H CYS 109 H CYS 109 0.430 -15.595 -11.221 810 HA CYS 109 HA CYS 109 -0.424 -14.404 -13.675 811 HG CYS 109 HG CYS 109 2.325 -14.448 -16.149 812 HB2 CYS 109 1HB CYS 109 1.685 -16.568 -13.915 813 HB3 CYS 109 2HB CYS 109 0.631 -16.093 -15.245 814 H SER 110 H SER 110 0.304 -17.860 -13.430 815 HA SER 110 HA SER 110 -2.102 -18.596 -14.604 816 HG SER 110 HG SER 110 -0.178 -19.322 -15.716 817 HB2 SER 110 1HB SER 110 -0.198 -20.336 -13.070 818 HB3 SER 110 2HB SER 110 -1.318 -20.831 -14.344 819 H SER 111 H SER 111 -3.950 -18.087 -13.595 820 HA SER 111 HA SER 111 -5.738 -18.210 -12.272 821 HG SER 111 HG SER 111 -6.451 -20.236 -13.494 822 HB2 SER 111 1HB SER 111 -4.521 -20.876 -11.548 823 HB3 SER 111 2HB SER 111 -6.218 -20.391 -11.334 824 H ASN 112 H ASN 112 -3.299 -17.059 -11.178 825 HA ASN 112 HA ASN 112 -3.371 -17.813 -8.378 826 HB2 ASN 112 1HB ASN 112 -1.219 -17.442 -9.670 827 HB3 ASN 112 2HB ASN 112 -1.622 -15.718 -9.654 828 HD21 ASN 112 1HD2 ASN 112 -0.507 -18.403 -7.841 829 HD22 ASN 112 2HD2 ASN 112 -0.149 -17.520 -6.382 830 H GLN 113 H GLN 113 -4.504 -16.746 -7.003 831 HA GLN 113 HA GLN 113 -6.468 -14.887 -7.653 832 HB2 GLN 113 1HB GLN 113 -6.385 -16.421 -5.679 833 HB3 GLN 113 2HB GLN 113 -5.219 -15.324 -4.950 834 HG2 GLN 113 1HG GLN 113 -6.920 -13.612 -4.871 835 HG3 GLN 113 2HG GLN 113 -8.071 -14.722 -5.645 836 HE21 GLN 113 1HE2 GLN 113 -8.202 -13.481 -3.068 837 HE22 GLN 113 2HE2 GLN 113 -8.266 -14.719 -1.868 838 H LEU 114 H LEU 114 -3.100 -14.332 -6.708 839 HA LEU 114 HA LEU 114 -3.300 -11.677 -5.807 840 HG LEU 114 HG LEU 114 -0.444 -11.022 -6.946 841 HB2 LEU 114 1HB LEU 114 -1.541 -13.267 -5.300 842 HB3 LEU 114 2HB LEU 114 -1.149 -13.359 -7.014 843 HD11 LEU 114 1HD1 LEU 114 -0.195 -9.960 -4.759 844 HD12 LEU 114 2HD1 LEU 114 -1.073 -11.308 -4.014 845 HD13 LEU 114 3HD1 LEU 114 -1.884 -10.250 -5.178 846 HD21 LEU 114 3HD2 LEU 114 1.002 -12.978 -6.498 847 HD22 LEU 114 1HD2 LEU 114 0.819 -12.667 -4.786 848 HD23 LEU 114 2HD2 LEU 114 1.594 -11.463 -5.842 849 H GLY 115 H GLY 115 -2.680 -13.236 -8.894 850 HA2 GLY 115 1HA GLY 115 -2.091 -10.766 -10.248 851 HA3 GLY 115 2HA GLY 115 -2.446 -12.303 -11.046 852 H GLN 116 H GLN 116 -4.996 -12.854 -9.928 853 HA GLN 116 HA GLN 116 -6.719 -11.557 -11.560 854 HB2 GLN 116 1HB GLN 116 -7.259 -12.786 -8.856 855 HB3 GLN 116 2HB GLN 116 -8.395 -12.627 -10.202 856 HG2 GLN 116 1HG GLN 116 -7.036 -14.124 -11.497 857 HG3 GLN 116 2HG GLN 116 -5.918 -14.329 -10.162 858 HE21 GLN 116 1HE2 GLN 116 -7.505 -16.292 -11.527 859 HE22 GLN 116 2HE2 GLN 116 -8.483 -17.067 -10.319 860 H VAL 117 H VAL 117 -5.709 -10.899 -8.286 861 HA VAL 117 HA VAL 117 -7.762 -9.006 -8.081 862 HB VAL 117 HB VAL 117 -5.872 -10.053 -6.046 863 HG11 VAL 117 1HG1 VAL 117 -7.375 -7.446 -5.665 864 HG12 VAL 117 2HG1 VAL 117 -5.636 -7.571 -5.894 865 HG13 VAL 117 3HG1 VAL 117 -6.382 -8.279 -4.450 866 HG21 VAL 117 3HG2 VAL 117 -8.762 -9.411 -6.284 867 HG22 VAL 117 1HG2 VAL 117 -8.012 -10.049 -4.814 868 HG23 VAL 117 2HG2 VAL 117 -7.969 -10.996 -6.323 869 H VAL 118 H VAL 118 -4.191 -8.875 -8.271 870 HA VAL 118 HA VAL 118 -3.889 -6.147 -8.353 871 HB VAL 118 HB VAL 118 -2.467 -8.259 -9.973 872 HG11 VAL 118 1HG1 VAL 118 -1.660 -5.360 -9.521 873 HG12 VAL 118 2HG1 VAL 118 -2.177 -6.051 -11.059 874 HG13 VAL 118 3HG1 VAL 118 -0.661 -6.576 -10.321 875 HG21 VAL 118 3HG2 VAL 118 -0.670 -7.948 -8.337 876 HG22 VAL 118 1HG2 VAL 118 -2.174 -8.481 -7.572 877 HG23 VAL 118 2HG2 VAL 118 -1.677 -6.782 -7.482 878 H ASP 119 H ASP 119 -5.107 -8.282 -10.842 879 HA ASP 119 HA ASP 119 -5.117 -6.372 -12.969 880 HB2 ASP 119 1HB ASP 119 -5.291 -8.779 -13.497 881 HB3 ASP 119 2HB ASP 119 -6.660 -8.900 -12.407 882 H TYR 120 H TYR 120 -7.372 -7.477 -10.588 883 HA TYR 120 HA TYR 120 -9.611 -5.962 -11.427 884 HD1 TYR 120 HD1 TYR 120 -12.049 -5.696 -9.887 885 HD2 TYR 120 HD2 TYR 120 -9.197 -6.600 -6.873 886 HE1 TYR 120 HE1 TYR 120 -13.376 -4.467 -8.242 887 HE2 TYR 120 HE2 TYR 120 -10.494 -5.392 -5.251 888 HH TYR 120 HH TYR 120 -13.650 -4.092 -6.022 889 HB2 TYR 120 1HB TYR 120 -10.299 -7.682 -9.978 890 HB3 TYR 120 2HB TYR 120 -8.893 -7.465 -8.924 891 H VAL 121 H VAL 121 -7.130 -5.371 -9.015 892 HA VAL 121 HA VAL 121 -8.245 -2.916 -8.135 893 HB VAL 121 HB VAL 121 -5.493 -4.157 -7.767 894 HG11 VAL 121 1HG1 VAL 121 -5.241 -2.655 -5.874 895 HG12 VAL 121 2HG1 VAL 121 -6.767 -1.880 -6.307 896 HG13 VAL 121 3HG1 VAL 121 -5.387 -1.782 -7.400 897 HG21 VAL 121 3HG2 VAL 121 -7.156 -5.548 -6.809 898 HG22 VAL 121 1HG2 VAL 121 -7.928 -4.170 -6.030 899 HG23 VAL 121 2HG2 VAL 121 -6.329 -4.698 -5.497 900 H ARG 122 H ARG 122 -5.972 -3.866 -10.548 901 HA ARG 122 HA ARG 122 -5.001 -1.273 -11.087 902 HE ARG 122 HE ARG 122 -3.656 -4.411 -14.544 903 HB2 ARG 122 1HB ARG 122 -3.872 -3.368 -11.704 904 HB3 ARG 122 2HB ARG 122 -5.169 -3.678 -12.860 905 HG2 ARG 122 1HG ARG 122 -4.473 -2.073 -14.284 906 HG3 ARG 122 2HG ARG 122 -3.678 -1.149 -12.992 907 HD2 ARG 122 1HD ARG 122 -2.025 -2.302 -14.488 908 HD3 ARG 122 2HD ARG 122 -1.981 -2.881 -12.815 909 HH11 ARG 122 1HH1 ARG 122 -0.344 -3.998 -13.403 910 HH12 ARG 122 2HH1 ARG 122 0.062 -5.645 -13.532 911 HH21 ARG 122 1HH2 ARG 122 -3.097 -6.671 -14.728 912 HH22 ARG 122 2HH2 ARG 122 -1.547 -7.209 -14.304 913 H LYS 123 H LYS 123 -7.820 -3.167 -12.286 914 HA LYS 123 HA LYS 123 -8.534 -1.319 -14.161 915 HB2 LYS 123 1HB LYS 123 -9.036 -3.665 -14.224 916 HB3 LYS 123 2HB LYS 123 -9.809 -3.533 -12.647 917 HG2 LYS 123 1HG LYS 123 -11.426 -2.373 -13.361 918 HG3 LYS 123 2HG LYS 123 -10.812 -2.017 -15.005 919 HD2 LYS 123 1HD LYS 123 -10.836 -4.462 -15.427 920 HD3 LYS 123 2HD LYS 123 -11.642 -4.715 -13.877 921 HE2 LYS 123 1HE LYS 123 -13.267 -4.776 -15.704 922 HE3 LYS 123 2HE LYS 123 -13.560 -3.378 -14.681 923 HZ1 LYS 123 3HZ LYS 123 -13.706 -2.859 -17.053 924 HZ2 LYS 123 1HZ LYS 123 -12.109 -3.321 -17.286 925 HZ3 LYS 123 2HZ LYS 123 -12.456 -1.985 -16.348 926 H GLN 124 H GLN 124 -8.747 -1.566 -10.713 927 HA GLN 124 HA GLN 124 -11.051 0.070 -10.443 928 HB2 GLN 124 1HB GLN 124 -8.948 -0.468 -8.353 929 HB3 GLN 124 2HB GLN 124 -10.383 0.515 -8.062 930 HG2 GLN 124 1HG GLN 124 -10.090 -2.424 -8.181 931 HG3 GLN 124 2HG GLN 124 -11.159 -1.329 -7.285 932 HE21 GLN 124 1HE2 GLN 124 -10.631 -2.965 -10.153 933 HE22 GLN 124 2HE2 GLN 124 -12.237 -2.960 -10.747 934 H ALA 125 H ALA 125 -7.596 0.470 -9.943 935 HA ALA 125 HA ALA 125 -7.554 3.235 -9.339 936 HB1 ALA 125 3HB ALA 125 -5.334 1.416 -10.241 937 HB2 ALA 125 1HB ALA 125 -5.930 1.588 -8.583 938 HB3 ALA 125 2HB ALA 125 -5.185 2.971 -9.395 939 H SER 126 H SER 126 -7.045 1.441 -12.353 940 HA SER 126 HA SER 126 -6.432 3.779 -13.822 941 HG SER 126 HG SER 126 -7.449 2.682 -16.462 942 HB2 SER 126 1HB SER 126 -5.899 1.404 -14.480 943 HB3 SER 126 2HB SER 126 -7.602 1.169 -14.843
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