NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25600 | 2ka7 | 16016 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 16.931 -1.136 -11.207 2 HA MET 1 HA MET 1 15.621 0.797 -10.835 3 HB2 MET 1 1HB MET 1 16.785 0.424 -13.055 4 HB3 MET 1 2HB MET 1 15.190 0.098 -13.749 5 HG2 MET 1 1HG MET 1 14.427 2.320 -13.213 6 HG3 MET 1 2HG MET 1 15.788 2.594 -12.114 7 HE1 MET 1 3HE MET 1 14.844 4.717 -14.230 8 HE2 MET 1 1HE MET 1 16.203 4.943 -13.106 9 HE3 MET 1 2HE MET 1 16.420 5.277 -14.839 10 H LYS 2 H LYS 2 13.591 -2.035 -11.488 11 HA LYS 2 HA LYS 2 11.472 -0.417 -10.344 12 HB2 LYS 2 1HB LYS 2 9.722 -1.645 -11.387 13 HB3 LYS 2 2HB LYS 2 10.687 -0.894 -12.621 14 HG2 LYS 2 1HG LYS 2 10.324 -2.914 -13.581 15 HG3 LYS 2 2HG LYS 2 11.870 -3.258 -12.823 16 HD2 LYS 2 1HD LYS 2 10.780 -4.516 -11.042 17 HD3 LYS 2 2HD LYS 2 9.186 -3.930 -11.502 18 HE2 LYS 2 1HE LYS 2 10.927 -5.606 -13.356 19 HE3 LYS 2 2HE LYS 2 9.829 -6.322 -12.156 20 HZ1 LYS 2 3HZ LYS 2 8.942 -4.499 -14.308 21 HZ2 LYS 2 1HZ LYS 2 8.745 -6.129 -14.314 22 HZ3 LYS 2 2HZ LYS 2 7.999 -5.221 -13.171 23 H MET 3 H MET 3 10.622 -1.472 -8.551 24 HA MET 3 HA MET 3 11.661 -4.113 -7.743 25 HB2 MET 3 1HB MET 3 13.450 -2.670 -7.175 26 HB3 MET 3 2HB MET 3 12.373 -1.373 -6.677 27 HG2 MET 3 1HG MET 3 13.426 -2.342 -4.752 28 HG3 MET 3 2HG MET 3 11.693 -2.663 -4.702 29 HE1 MET 3 3HE MET 3 14.719 -4.450 -6.687 30 HE2 MET 3 1HE MET 3 15.247 -3.868 -5.095 31 HE3 MET 3 2HE MET 3 15.156 -5.611 -5.423 32 H LYS 4 H LYS 4 10.068 -5.108 -6.620 33 HA LYS 4 HA LYS 4 7.990 -3.469 -5.247 34 HB2 LYS 4 1HB LYS 4 6.985 -3.795 -7.298 35 HB3 LYS 4 2HB LYS 4 7.489 -5.488 -7.425 36 HG2 LYS 4 1HG LYS 4 5.962 -6.237 -5.841 37 HG3 LYS 4 2HG LYS 4 5.609 -4.674 -5.190 38 HD2 LYS 4 1HD LYS 4 4.652 -5.829 -7.824 39 HD3 LYS 4 2HD LYS 4 3.720 -5.416 -6.391 40 HE2 LYS 4 1HE LYS 4 3.148 -3.657 -7.692 41 HE3 LYS 4 2HE LYS 4 4.529 -2.961 -6.834 42 HZ1 LYS 4 3HZ LYS 4 4.592 -2.562 -9.235 43 HZ2 LYS 4 1HZ LYS 4 5.877 -3.427 -8.749 44 HZ3 LYS 4 2HZ LYS 4 4.648 -4.199 -9.533 45 H LYS 5 H LYS 5 8.173 -3.979 -3.215 46 HA LYS 5 HA LYS 5 8.252 -6.853 -2.444 47 HB2 LYS 5 1HB LYS 5 9.323 -4.373 -1.092 48 HB3 LYS 5 2HB LYS 5 8.918 -5.791 -0.131 49 HG2 LYS 5 1HG LYS 5 10.683 -6.098 -2.577 50 HG3 LYS 5 2HG LYS 5 11.351 -5.520 -1.047 51 HD2 LYS 5 1HD LYS 5 10.344 -7.613 0.036 52 HD3 LYS 5 2HD LYS 5 9.972 -8.168 -1.601 53 HE2 LYS 5 1HE LYS 5 12.719 -7.635 -0.439 54 HE3 LYS 5 2HE LYS 5 12.001 -9.220 -0.776 55 HZ1 LYS 5 3HZ LYS 5 13.289 -8.847 -2.620 56 HZ2 LYS 5 1HZ LYS 5 11.859 -8.269 -3.178 57 HZ3 LYS 5 2HZ LYS 5 13.005 -7.221 -2.654 58 H TYR 6 H TYR 6 7.087 -7.075 -0.175 59 HA TYR 6 HA TYR 6 4.420 -5.814 -0.274 60 HB2 TYR 6 1HB TYR 6 5.099 -8.788 -0.233 61 HB3 TYR 6 2HB TYR 6 3.480 -8.126 -0.109 62 HD1 TYR 6 2HD TYR 6 6.416 -8.494 -2.374 63 HD2 TYR 6 1HD TYR 6 2.193 -7.666 -2.123 64 HE1 TYR 6 2HE TYR 6 6.303 -8.427 -4.816 65 HE2 TYR 6 1HE TYR 6 2.031 -7.746 -4.583 66 HH TYR 6 HH TYR 6 3.233 -7.823 -6.594 67 H THR 7 H THR 7 3.204 -6.200 1.833 68 HA THR 7 HA THR 7 5.045 -6.582 4.091 69 HB THR 7 HB THR 7 3.600 -5.086 5.282 70 HG1 THR 7 1HG THR 7 1.828 -4.124 3.916 71 HG21 THR 7 3HG2 THR 7 5.197 -3.928 3.788 72 HG22 THR 7 1HG2 THR 7 3.962 -3.871 2.511 73 HG23 THR 7 2HG2 THR 7 3.690 -3.010 4.032 74 H LYS 8 H LYS 8 3.639 -7.065 6.011 75 HA LYS 8 HA LYS 8 2.306 -9.660 5.610 76 HB2 LYS 8 1HB LYS 8 2.479 -8.294 8.316 77 HB3 LYS 8 2HB LYS 8 2.375 -9.981 7.902 78 HG2 LYS 8 1HG LYS 8 4.728 -9.723 6.855 79 HG3 LYS 8 2HG LYS 8 4.756 -8.094 7.551 80 HD2 LYS 8 1HD LYS 8 5.906 -9.557 9.058 81 HD3 LYS 8 2HD LYS 8 4.369 -9.102 9.818 82 HE2 LYS 8 1HE LYS 8 3.609 -11.210 9.814 83 HE3 LYS 8 2HE LYS 8 3.990 -11.422 8.107 84 HZ1 LYS 8 3HZ LYS 8 5.256 -12.969 9.545 85 HZ2 LYS 8 1HZ LYS 8 6.267 -11.973 8.689 86 HZ3 LYS 8 2HZ LYS 8 5.959 -11.712 10.280 87 H THR 9 H THR 9 1.188 -6.414 5.490 88 HA THR 9 HA THR 9 -1.524 -7.213 6.439 89 HB THR 9 HB THR 9 -0.526 -5.527 7.839 90 HG1 THR 9 1HG THR 9 -2.489 -4.481 6.115 91 HG21 THR 9 3HG2 THR 9 1.122 -4.476 6.411 92 HG22 THR 9 1HG2 THR 9 -0.141 -3.894 5.297 93 HG23 THR 9 2HG2 THR 9 -0.033 -3.254 6.936 94 H HIS 10 H HIS 10 -0.592 -8.116 4.002 95 HA HIS 10 HA HIS 10 -1.077 -8.158 1.779 96 HB2 HIS 10 1HB HIS 10 -3.641 -7.833 1.434 97 HB3 HIS 10 2HB HIS 10 -2.999 -9.187 2.300 98 HD1 HIS 10 1HD HIS 10 -4.517 -5.747 3.073 99 HD2 HIS 10 2HD HIS 10 -3.822 -9.512 4.849 100 HE1 HIS 10 1HE HIS 10 -6.005 -5.868 5.196 101 HE2 HIS 10 2HE HIS 10 -5.604 -8.193 6.224 102 H GLU 11 H GLU 11 0.399 -6.168 1.855 103 HA GLU 11 HA GLU 11 -0.776 -4.003 0.279 104 HB2 GLU 11 1HB GLU 11 -0.229 -3.525 2.893 105 HB3 GLU 11 2HB GLU 11 1.387 -3.345 2.195 106 HG2 GLU 11 1HG GLU 11 0.308 -1.657 0.602 107 HG3 GLU 11 2HG GLU 11 -1.039 -1.637 1.747 108 H TRP 12 H TRP 12 0.635 -3.305 -1.287 109 HA TRP 12 HA TRP 12 3.242 -4.724 -1.667 110 HB2 TRP 12 1HB TRP 12 2.862 -4.584 -4.064 111 HB3 TRP 12 2HB TRP 12 1.607 -5.525 -3.281 112 HD1 TRP 12 HD TRP 12 -0.843 -4.689 -3.385 113 HE1 TRP 12 1HE TRP 12 -2.083 -2.972 -4.825 114 HE3 TRP 12 3HE TRP 12 3.171 -1.931 -5.082 115 HZ2 TRP 12 2HZ TRP 12 -1.421 -1.064 -6.765 116 HZ3 TRP 12 3HZ TRP 12 2.790 -0.141 -6.725 117 HH2 TRP 12 HH TRP 12 0.536 0.302 -7.626 118 H VAL 13 H VAL 13 4.841 -3.479 -2.850 119 HA VAL 13 HA VAL 13 4.659 -0.531 -2.445 120 HB VAL 13 HB VAL 13 7.246 -2.111 -2.190 121 HG11 VAL 13 1HG1 VAL 13 7.320 0.215 -2.267 122 HG12 VAL 13 2HG1 VAL 13 6.208 0.381 -0.876 123 HG13 VAL 13 3HG1 VAL 13 7.828 -0.319 -0.666 124 HG21 VAL 13 3HG2 VAL 13 5.445 -1.652 0.206 125 HG22 VAL 13 1HG2 VAL 13 5.672 -3.253 -0.481 126 HG23 VAL 13 2HG2 VAL 13 7.051 -2.397 0.216 127 H SER 14 H SER 14 5.669 0.641 -4.211 128 HA SER 14 HA SER 14 7.220 -0.922 -6.239 129 HB2 SER 14 1HB SER 14 4.707 0.615 -6.483 130 HB3 SER 14 2HB SER 14 5.927 1.092 -7.635 131 HG SER 14 HG SER 14 5.122 -0.590 -8.656 132 H ILE 15 H ILE 15 9.093 -0.340 -5.562 133 HA ILE 15 HA ILE 15 9.998 2.430 -5.523 134 HB ILE 15 HB ILE 15 11.238 -0.326 -5.172 135 HG12 ILE 15 1HG1 ILE 15 11.954 1.038 -2.969 136 HG13 ILE 15 2HG1 ILE 15 10.513 1.916 -3.448 137 HG21 ILE 15 1HG2 ILE 15 13.429 0.740 -4.753 138 HG22 ILE 15 2HG2 ILE 15 12.904 1.015 -6.403 139 HG23 ILE 15 3HG2 ILE 15 12.763 2.325 -5.211 140 HD11 ILE 15 3HD1 ILE 15 10.052 0.114 -1.790 141 HD12 ILE 15 1HD1 ILE 15 9.170 -0.149 -3.302 142 HD13 ILE 15 2HD1 ILE 15 10.611 -1.092 -2.969 143 H GLU 16 H GLU 16 10.700 3.402 -7.265 144 HA GLU 16 HA GLU 16 11.574 1.801 -9.624 145 HB2 GLU 16 1HB GLU 16 9.434 2.935 -10.148 146 HB3 GLU 16 2HB GLU 16 10.117 4.453 -9.680 147 HG2 GLU 16 1HG GLU 16 10.352 4.622 -11.939 148 HG3 GLU 16 2HG GLU 16 11.949 4.024 -11.510 149 H ASP 17 H ASP 17 11.979 5.204 -9.695 150 HA ASP 17 HA ASP 17 14.694 5.316 -9.173 151 HB2 ASP 17 1HB ASP 17 12.664 7.591 -8.988 152 HB3 ASP 17 2HB ASP 17 14.393 7.710 -9.289 153 H LYS 18 H LYS 18 12.647 7.413 -7.104 154 HA LYS 18 HA LYS 18 13.983 6.275 -4.661 155 HB2 LYS 18 1HB LYS 18 13.365 9.213 -5.169 156 HB3 LYS 18 2HB LYS 18 14.202 8.508 -3.789 157 HG2 LYS 18 1HG LYS 18 15.942 7.641 -5.515 158 HG3 LYS 18 2HG LYS 18 15.186 8.780 -6.642 159 HD2 LYS 18 1HD LYS 18 16.977 10.013 -5.712 160 HD3 LYS 18 2HD LYS 18 15.569 10.568 -4.776 161 HE2 LYS 18 1HE LYS 18 16.143 8.713 -3.087 162 HE3 LYS 18 2HE LYS 18 17.639 8.463 -3.995 163 HZ1 LYS 18 3HZ LYS 18 16.857 10.870 -2.468 164 HZ2 LYS 18 1HZ LYS 18 18.090 9.837 -2.198 165 HZ3 LYS 18 2HZ LYS 18 18.153 10.832 -3.489 166 H VAL 19 H VAL 19 11.062 6.450 -6.030 167 HA VAL 19 HA VAL 19 9.639 7.060 -3.497 168 HB VAL 19 HB VAL 19 8.887 7.740 -6.359 169 HG11 VAL 19 1HG1 VAL 19 6.889 7.119 -5.131 170 HG12 VAL 19 2HG1 VAL 19 7.341 8.199 -3.779 171 HG13 VAL 19 3HG1 VAL 19 6.911 8.873 -5.365 172 HG21 VAL 19 3HG2 VAL 19 8.953 10.109 -5.507 173 HG22 VAL 19 1HG2 VAL 19 9.568 9.513 -3.956 174 HG23 VAL 19 2HG2 VAL 19 10.535 9.337 -5.435 175 H ALA 20 H ALA 20 8.279 5.554 -2.839 176 HA ALA 20 HA ALA 20 7.882 3.040 -4.387 177 HB1 ALA 20 1HB ALA 20 7.327 2.202 -2.054 178 HB2 ALA 20 2HB ALA 20 9.011 2.536 -2.319 179 HB3 ALA 20 3HB ALA 20 8.014 3.711 -1.439 180 H THR 21 H THR 21 5.993 3.188 -5.435 181 HA THR 21 HA THR 21 3.623 4.381 -4.291 182 HB THR 21 HB THR 21 3.963 2.503 -6.663 183 HG1 THR 21 1HG THR 21 4.483 4.205 -7.841 184 HG21 THR 21 3HG2 THR 21 1.956 3.637 -7.574 185 HG22 THR 21 1HG2 THR 21 1.613 2.770 -6.077 186 HG23 THR 21 2HG2 THR 21 1.779 4.537 -6.051 187 H VAL 22 H VAL 22 2.510 3.511 -2.656 188 HA VAL 22 HA VAL 22 2.475 0.654 -2.169 189 HB VAL 22 HB VAL 22 2.384 1.418 -0.152 190 HG11 VAL 22 1HG1 VAL 22 1.630 4.186 -0.506 191 HG12 VAL 22 2HG1 VAL 22 2.618 3.414 0.736 192 HG13 VAL 22 3HG1 VAL 22 3.284 3.609 -0.868 193 HG21 VAL 22 3HG2 VAL 22 0.224 0.772 0.035 194 HG22 VAL 22 1HG2 VAL 22 0.588 2.088 1.105 195 HG23 VAL 22 2HG2 VAL 22 -0.304 2.434 -0.410 196 H GLY 23 H GLY 23 0.576 -0.690 -2.180 197 HA2 GLY 23 1HA GLY 23 -2.006 0.588 -2.238 198 HA3 GLY 23 2HA GLY 23 -1.751 -0.396 -3.646 199 H ILE 24 H ILE 24 -3.756 -1.191 -1.795 200 HA ILE 24 HA ILE 24 -2.511 -3.429 -0.327 201 HB ILE 24 HB ILE 24 -4.859 -4.091 0.184 202 HG12 ILE 24 1HG1 ILE 24 -5.614 -1.185 0.014 203 HG13 ILE 24 2HG1 ILE 24 -5.755 -2.179 -1.423 204 HG21 ILE 24 1HG2 ILE 24 -4.909 -2.747 2.220 205 HG22 ILE 24 2HG2 ILE 24 -3.267 -3.284 1.868 206 HG23 ILE 24 3HG2 ILE 24 -3.736 -1.625 1.535 207 HD11 ILE 24 3HD1 ILE 24 -7.871 -2.087 -0.026 208 HD12 ILE 24 1HD1 ILE 24 -7.303 -3.713 -0.341 209 HD13 ILE 24 2HD1 ILE 24 -7.013 -2.977 1.250 210 H THR 25 H THR 25 -2.958 -5.620 -0.834 211 HA THR 25 HA THR 25 -3.010 -6.110 -3.688 212 HB THR 25 HB THR 25 -2.591 -8.478 -2.865 213 HG1 THR 25 1HG THR 25 -2.340 -8.796 -0.770 214 HG21 THR 25 3HG2 THR 25 -0.740 -6.362 -1.674 215 HG22 THR 25 1HG2 THR 25 -0.340 -8.037 -2.048 216 HG23 THR 25 2HG2 THR 25 -0.709 -6.940 -3.371 217 H ASN 26 H ASN 26 -4.168 -8.142 -4.459 218 HA ASN 26 HA ASN 26 -6.990 -7.838 -4.437 219 HB2 ASN 26 1HB ASN 26 -6.038 -9.026 -6.240 220 HB3 ASN 26 2HB ASN 26 -5.175 -10.125 -5.172 221 HD21 ASN 26 1HD2 ASN 26 -8.426 -9.560 -6.705 222 HD22 ASN 26 2HD2 ASN 26 -9.027 -11.075 -6.027 223 H HIS 27 H HIS 27 -5.035 -10.070 -2.394 224 HA HIS 27 HA HIS 27 -7.153 -11.346 -1.092 225 HB2 HIS 27 1HB HIS 27 -4.672 -11.800 -0.920 226 HB3 HIS 27 2HB HIS 27 -4.560 -10.499 0.252 227 HD1 HIS 27 1HD HIS 27 -5.601 -14.141 -0.135 228 HD2 HIS 27 2HD HIS 27 -5.563 -11.018 2.738 229 HE1 HIS 27 1HE HIS 27 -5.859 -15.234 2.183 230 HE2 HIS 27 2HE HIS 27 -5.785 -13.340 3.927 231 H ALA 28 H ALA 28 -6.275 -7.986 -0.742 232 HA ALA 28 HA ALA 28 -7.536 -7.723 1.902 233 HB1 ALA 28 1HB ALA 28 -6.418 -5.667 -0.017 234 HB2 ALA 28 2HB ALA 28 -6.791 -5.430 1.714 235 HB3 ALA 28 3HB ALA 28 -5.465 -6.512 1.199 236 H GLN 29 H GLN 29 -8.167 -6.607 -1.534 237 HA GLN 29 HA GLN 29 -10.662 -5.388 -0.848 238 HB2 GLN 29 1HB GLN 29 -11.100 -5.299 -3.282 239 HB3 GLN 29 2HB GLN 29 -9.529 -4.733 -2.811 240 HG2 GLN 29 1HG GLN 29 -9.158 -5.852 -4.773 241 HG3 GLN 29 2HG GLN 29 -8.598 -6.945 -3.549 242 HE21 GLN 29 1HE2 GLN 29 -9.484 -9.058 -3.628 243 HE22 GLN 29 2HE2 GLN 29 -10.880 -9.437 -4.637 244 H GLU 30 H GLU 30 -9.830 -8.779 -1.332 245 HA GLU 30 HA GLU 30 -12.316 -9.888 -1.909 246 HB2 GLU 30 1HB GLU 30 -9.678 -10.636 -0.653 247 HB3 GLU 30 2HB GLU 30 -11.016 -11.664 -0.295 248 HG2 GLU 30 1HG GLU 30 -11.123 -11.201 -3.128 249 HG3 GLU 30 2HG GLU 30 -9.438 -11.449 -2.710 250 H GLN 31 H GLN 31 -10.955 -8.718 1.216 251 HA GLN 31 HA GLN 31 -13.204 -10.004 2.605 252 HB2 GLN 31 1HB GLN 31 -10.973 -8.348 3.823 253 HB3 GLN 31 2HB GLN 31 -12.165 -9.384 4.648 254 HG2 GLN 31 1HG GLN 31 -11.276 -11.316 3.244 255 HG3 GLN 31 2HG GLN 31 -9.939 -10.250 2.792 256 HE21 GLN 31 1HE2 GLN 31 -9.295 -12.596 3.931 257 HE22 GLN 31 2HE2 GLN 31 -8.701 -12.337 5.580 258 H LEU 32 H LEU 32 -12.281 -6.645 1.666 259 HA LEU 32 HA LEU 32 -14.493 -5.533 3.244 260 HB2 LEU 32 1HB LEU 32 -12.659 -4.140 1.240 261 HB3 LEU 32 2HB LEU 32 -13.921 -3.401 2.198 262 HG LEU 32 HG LEU 32 -11.290 -4.514 3.148 263 HD11 LEU 32 1HD1 LEU 32 -10.993 -2.288 4.154 264 HD12 LEU 32 2HD1 LEU 32 -11.370 -2.132 2.422 265 HD13 LEU 32 3HD1 LEU 32 -12.608 -1.814 3.666 266 HD21 LEU 32 3HD2 LEU 32 -12.876 -5.353 4.775 267 HD22 LEU 32 1HD2 LEU 32 -11.985 -4.018 5.485 268 HD23 LEU 32 2HD2 LEU 32 -13.642 -3.752 4.906 269 H GLY 33 H GLY 33 -13.761 -5.329 -0.321 270 HA2 GLY 33 1HA GLY 33 -15.360 -5.883 -1.978 271 HA3 GLY 33 2HA GLY 33 -16.671 -5.598 -0.880 272 H ASP 34 H ASP 34 -17.689 -3.719 -1.428 273 HA ASP 34 HA ASP 34 -16.728 -2.085 -3.503 274 HB2 ASP 34 1HB ASP 34 -19.188 -1.980 -1.650 275 HB3 ASP 34 2HB ASP 34 -19.115 -0.967 -3.058 276 H VAL 35 H VAL 35 -15.078 -1.509 -1.548 277 HA VAL 35 HA VAL 35 -15.432 -0.534 0.568 278 HB VAL 35 HB VAL 35 -13.724 1.277 -1.167 279 HG11 VAL 35 1HG1 VAL 35 -12.466 1.532 0.891 280 HG12 VAL 35 2HG1 VAL 35 -14.135 1.811 1.343 281 HG13 VAL 35 3HG1 VAL 35 -13.426 0.222 1.663 282 HG21 VAL 35 3HG2 VAL 35 -11.838 -0.225 -0.645 283 HG22 VAL 35 1HG2 VAL 35 -12.970 -1.403 0.082 284 HG23 VAL 35 2HG2 VAL 35 -13.052 -1.000 -1.661 285 H VAL 36 H VAL 36 -14.944 2.656 -0.333 286 HA VAL 36 HA VAL 36 -17.337 3.921 -0.484 287 HB VAL 36 HB VAL 36 -17.486 2.434 1.833 288 HG11 VAL 36 1HG1 VAL 36 -15.734 3.338 2.846 289 HG12 VAL 36 2HG1 VAL 36 -16.574 4.949 2.989 290 HG13 VAL 36 3HG1 VAL 36 -17.240 3.510 3.771 291 HG21 VAL 36 3HG2 VAL 36 -19.439 3.592 2.357 292 HG22 VAL 36 1HG2 VAL 36 -18.911 5.010 1.380 293 HG23 VAL 36 2HG2 VAL 36 -19.267 3.468 0.601 294 H TYR 37 H TYR 37 -14.248 3.777 1.460 295 HA TYR 37 HA TYR 37 -13.596 6.534 0.605 296 HB2 TYR 37 1HB TYR 37 -15.053 6.705 2.632 297 HB3 TYR 37 2HB TYR 37 -14.020 5.575 3.471 298 HD1 TYR 37 2HD TYR 37 -13.553 8.747 1.466 299 HD2 TYR 37 1HD TYR 37 -12.642 6.560 5.096 300 HE1 TYR 37 2HE TYR 37 -12.056 10.572 2.179 301 HE2 TYR 37 1HE TYR 37 -11.155 8.386 5.814 302 HH TYR 37 HH TYR 37 -10.613 11.326 3.813 303 H VAL 38 H VAL 38 -11.334 7.089 1.413 304 HA VAL 38 HA VAL 38 -9.812 4.991 2.639 305 HB VAL 38 HB VAL 38 -7.884 5.165 1.160 306 HG11 VAL 38 1HG1 VAL 38 -9.470 3.348 0.657 307 HG12 VAL 38 2HG1 VAL 38 -10.246 4.362 -0.576 308 HG13 VAL 38 3HG1 VAL 38 -8.544 3.863 -0.743 309 HG21 VAL 38 3HG2 VAL 38 -7.854 6.280 -0.952 310 HG22 VAL 38 1HG2 VAL 38 -9.576 6.769 -0.793 311 HG23 VAL 38 2HG2 VAL 38 -8.326 7.457 0.246 312 H ASP 39 H ASP 39 -8.295 5.691 3.901 313 HA ASP 39 HA ASP 39 -8.483 8.536 4.551 314 HB2 ASP 39 1HB ASP 39 -9.115 6.910 6.341 315 HB3 ASP 39 2HB ASP 39 -7.640 6.033 6.092 316 H LEU 40 H LEU 40 -6.877 9.376 3.090 317 HA LEU 40 HA LEU 40 -4.335 7.885 2.851 318 HB2 LEU 40 1HB LEU 40 -5.636 10.132 1.287 319 HB3 LEU 40 2HB LEU 40 -3.963 9.709 1.018 320 HG LEU 40 HG LEU 40 -6.130 7.584 0.883 321 HD11 LEU 40 1HD1 LEU 40 -5.239 9.453 -1.351 322 HD12 LEU 40 2HD1 LEU 40 -6.228 7.984 -1.563 323 HD13 LEU 40 3HD1 LEU 40 -6.854 9.334 -0.614 324 HD21 LEU 40 3HD2 LEU 40 -3.359 7.827 -0.374 325 HD22 LEU 40 1HD2 LEU 40 -3.841 6.733 0.952 326 HD23 LEU 40 2HD2 LEU 40 -4.521 6.509 -0.655 327 HA PRO 41 HA PRO 41 -2.222 10.688 5.446 328 HB2 PRO 41 1HB PRO 41 0.359 10.534 4.423 329 HB3 PRO 41 2HB PRO 41 -0.410 9.327 5.474 330 HG2 PRO 41 1HG PRO 41 0.132 9.145 2.546 331 HG3 PRO 41 2HG PRO 41 -0.155 7.854 3.746 332 HD2 PRO 41 1HD PRO 41 -2.008 8.912 1.851 333 HD3 PRO 41 2HD PRO 41 -2.293 7.700 3.122 334 H GLU 42 H GLU 42 -0.574 12.538 5.391 335 HA GLU 42 HA GLU 42 -1.360 14.474 3.301 336 HB2 GLU 42 1HB GLU 42 -1.107 15.038 5.835 337 HB3 GLU 42 2HB GLU 42 0.637 14.946 5.525 338 HG2 GLU 42 1HG GLU 42 -0.036 16.529 3.449 339 HG3 GLU 42 2HG GLU 42 -1.458 16.838 4.420 340 H VAL 43 H VAL 43 0.082 15.206 1.788 341 HA VAL 43 HA VAL 43 1.996 13.421 0.786 342 HB VAL 43 HB VAL 43 0.195 15.115 -0.202 343 HG11 VAL 43 1HG1 VAL 43 1.570 17.106 0.664 344 HG12 VAL 43 2HG1 VAL 43 2.659 16.777 -0.705 345 HG13 VAL 43 3HG1 VAL 43 0.956 17.181 -1.004 346 HG21 VAL 43 3HG2 VAL 43 1.425 13.457 -1.526 347 HG22 VAL 43 1HG2 VAL 43 1.110 14.970 -2.398 348 HG23 VAL 43 2HG2 VAL 43 2.726 14.661 -1.751 349 H GLY 44 H GLY 44 2.820 14.662 3.268 350 HA2 GLY 44 1HA GLY 44 5.625 15.216 2.677 351 HA3 GLY 44 2HA GLY 44 4.789 16.611 3.373 352 H ARG 45 H ARG 45 3.702 13.427 4.388 353 HA ARG 45 HA ARG 45 4.594 14.081 7.142 354 HB2 ARG 45 1HB ARG 45 2.245 13.436 6.464 355 HB3 ARG 45 2HB ARG 45 2.843 11.802 6.114 356 HG2 ARG 45 1HG ARG 45 3.470 11.510 8.483 357 HG3 ARG 45 2HG ARG 45 3.004 13.200 8.823 358 HD2 ARG 45 1HD ARG 45 0.708 12.644 7.928 359 HD3 ARG 45 2HD ARG 45 1.199 10.947 7.854 360 HE ARG 45 HE ARG 45 1.528 10.969 10.273 361 HH11 ARG 45 2HH2 ARG 45 -0.617 13.501 8.968 362 HH12 ARG 45 1HH2 ARG 45 -1.577 13.626 10.379 363 HH21 ARG 45 2HH1 ARG 45 0.185 10.951 12.008 364 HH22 ARG 45 1HH1 ARG 45 -1.182 12.052 12.139 365 H GLU 46 H GLU 46 6.127 12.730 8.378 366 HA GLU 46 HA GLU 46 7.542 10.691 6.811 367 HB2 GLU 46 1HB GLU 46 8.175 12.396 9.061 368 HB3 GLU 46 2HB GLU 46 8.270 10.742 9.604 369 HG2 GLU 46 1HG GLU 46 9.557 10.516 7.160 370 HG3 GLU 46 2HG GLU 46 9.911 12.184 7.571 371 H VAL 47 H VAL 47 7.561 8.464 7.335 372 HA VAL 47 HA VAL 47 5.562 7.481 9.288 373 HB VAL 47 HB VAL 47 4.570 6.004 7.686 374 HG11 VAL 47 1HG1 VAL 47 3.694 8.335 8.004 375 HG12 VAL 47 2HG1 VAL 47 4.543 8.818 6.524 376 HG13 VAL 47 3HG1 VAL 47 3.267 7.601 6.456 377 HG21 VAL 47 3HG2 VAL 47 6.291 7.295 5.524 378 HG22 VAL 47 1HG2 VAL 47 6.465 5.630 6.130 379 HG23 VAL 47 2HG2 VAL 47 4.992 6.103 5.282 380 H LYS 48 H LYS 48 5.703 4.859 9.131 381 HA LYS 48 HA LYS 48 8.538 4.031 9.254 382 HB2 LYS 48 1HB LYS 48 6.332 3.819 11.354 383 HB3 LYS 48 2HB LYS 48 7.721 2.735 11.317 384 HG2 LYS 48 1HG LYS 48 9.318 4.517 11.509 385 HG3 LYS 48 2HG LYS 48 8.056 5.758 11.416 386 HD2 LYS 48 1HD LYS 48 7.203 5.244 13.563 387 HD3 LYS 48 2HD LYS 48 8.081 3.691 13.646 388 HE2 LYS 48 1HE LYS 48 10.209 4.766 13.773 389 HE3 LYS 48 2HE LYS 48 9.536 6.340 13.349 390 HZ1 LYS 48 3HZ LYS 48 8.895 4.909 15.857 391 HZ2 LYS 48 1HZ LYS 48 10.059 6.042 15.715 392 HZ3 LYS 48 2HZ LYS 48 8.496 6.467 15.477 393 H LYS 49 H LYS 49 8.628 1.629 9.293 394 HA LYS 49 HA LYS 49 6.866 0.417 7.366 395 HB2 LYS 49 1HB LYS 49 8.342 -1.523 7.641 396 HB3 LYS 49 2HB LYS 49 9.213 0.006 7.468 397 HG2 LYS 49 1HG LYS 49 9.806 0.053 9.807 398 HG3 LYS 49 2HG LYS 49 8.811 -1.370 10.137 399 HD2 LYS 49 1HD LYS 49 10.225 -2.803 8.819 400 HD3 LYS 49 2HD LYS 49 11.130 -1.423 8.166 401 HE2 LYS 49 1HE LYS 49 11.955 -0.853 10.425 402 HE3 LYS 49 2HE LYS 49 11.056 -2.225 11.099 403 HZ1 LYS 49 3HZ LYS 49 12.414 -3.687 9.701 404 HZ2 LYS 49 1HZ LYS 49 13.249 -2.447 9.112 405 HZ3 LYS 49 2HZ LYS 49 13.385 -2.766 10.701 406 H GLY 50 H GLY 50 5.391 1.197 9.366 407 HA2 GLY 50 1HA GLY 50 3.576 -0.760 9.931 408 HA3 GLY 50 2HA GLY 50 4.633 -0.825 11.360 409 H GLU 51 H GLU 51 2.766 1.494 9.321 410 HA GLU 51 HA GLU 51 1.847 2.975 11.691 411 HB2 GLU 51 1HB GLU 51 4.035 3.770 10.018 412 HB3 GLU 51 2HB GLU 51 2.697 4.728 9.456 413 HG2 GLU 51 1HG GLU 51 3.071 4.569 12.441 414 HG3 GLU 51 2HG GLU 51 4.354 5.367 11.521 415 H VAL 52 H VAL 52 -0.394 3.179 11.385 416 HA VAL 52 HA VAL 52 -1.624 2.066 9.064 417 HB VAL 52 HB VAL 52 -2.700 1.343 10.808 418 HG11 VAL 52 1HG1 VAL 52 -3.237 2.579 12.900 419 HG12 VAL 52 2HG1 VAL 52 -1.542 2.252 12.571 420 HG13 VAL 52 3HG1 VAL 52 -2.209 3.901 12.295 421 HG21 VAL 52 3HG2 VAL 52 -4.359 3.890 10.751 422 HG22 VAL 52 1HG2 VAL 52 -4.585 2.510 9.655 423 HG23 VAL 52 2HG2 VAL 52 -4.858 2.342 11.398 424 H VAL 53 H VAL 53 -0.220 4.316 8.200 425 HA VAL 53 HA VAL 53 -1.924 6.614 8.083 426 HB VAL 53 HB VAL 53 -0.130 7.449 6.487 427 HG11 VAL 53 1HG1 VAL 53 0.932 6.237 9.046 428 HG12 VAL 53 2HG1 VAL 53 1.546 7.665 8.187 429 HG13 VAL 53 3HG1 VAL 53 -0.041 7.706 8.969 430 HG21 VAL 53 3HG2 VAL 53 1.360 4.900 7.123 431 HG22 VAL 53 1HG2 VAL 53 0.414 5.058 5.637 432 HG23 VAL 53 2HG2 VAL 53 1.763 6.146 5.930 433 H ALA 54 H ALA 54 -2.889 3.912 6.582 434 HA ALA 54 HA ALA 54 -3.951 5.471 4.339 435 HB1 ALA 54 1HB ALA 54 -2.011 4.674 3.350 436 HB2 ALA 54 2HB ALA 54 -2.315 2.986 3.832 437 HB3 ALA 54 3HB ALA 54 -3.373 3.804 2.650 438 H SER 55 H SER 55 -5.471 4.967 6.451 439 HA SER 55 HA SER 55 -6.421 2.266 6.657 440 HB2 SER 55 1HB SER 55 -6.655 4.703 8.096 441 HB3 SER 55 2HB SER 55 -8.302 4.271 7.636 442 HG SER 55 HG SER 55 -7.510 3.382 9.638 443 H ILE 56 H ILE 56 -8.631 1.590 6.280 444 HA ILE 56 HA ILE 56 -9.916 2.828 3.892 445 HB ILE 56 HB ILE 56 -9.521 -0.163 4.240 446 HG12 ILE 56 1HG1 ILE 56 -7.594 1.637 2.843 447 HG13 ILE 56 2HG1 ILE 56 -7.239 0.525 4.190 448 HG21 ILE 56 1HG2 ILE 56 -11.326 0.738 2.799 449 HG22 ILE 56 2HG2 ILE 56 -10.108 1.572 1.819 450 HG23 ILE 56 3HG2 ILE 56 -10.163 -0.203 1.876 451 HD11 ILE 56 3HD1 ILE 56 -7.935 -1.376 2.726 452 HD12 ILE 56 1HD1 ILE 56 -7.979 -0.229 1.350 453 HD13 ILE 56 2HD1 ILE 56 -6.466 -0.531 2.199 454 H GLU 57 H GLU 57 -11.949 3.367 4.694 455 HA GLU 57 HA GLU 57 -13.265 1.526 6.594 456 HB2 GLU 57 1HB GLU 57 -13.549 4.491 6.142 457 HB3 GLU 57 2HB GLU 57 -15.033 3.542 6.358 458 HG2 GLU 57 1HG GLU 57 -14.045 2.513 8.412 459 HG3 GLU 57 2HG GLU 57 -12.669 3.614 8.291 460 H SER 58 H SER 58 -15.213 0.633 5.717 461 HA SER 58 HA SER 58 -15.706 1.168 2.836 462 HB2 SER 58 1HB SER 58 -16.267 -1.121 2.539 463 HB3 SER 58 2HB SER 58 -14.583 -0.997 3.049 464 HG SER 58 HG SER 58 -16.196 -2.612 4.075 465 H VAL 59 H VAL 59 -18.010 0.192 2.284 466 HA VAL 59 HA VAL 59 -20.051 1.494 3.376 467 HB VAL 59 HB VAL 59 -21.416 -0.579 2.590 468 HG11 VAL 59 1HG1 VAL 59 -20.440 -0.069 0.132 469 HG12 VAL 59 2HG1 VAL 59 -21.400 1.124 1.038 470 HG13 VAL 59 3HG1 VAL 59 -19.654 1.250 1.000 471 HG21 VAL 59 3HG2 VAL 59 -19.539 -2.245 2.825 472 HG22 VAL 59 1HG2 VAL 59 -20.245 -2.156 1.200 473 HG23 VAL 59 2HG2 VAL 59 -18.697 -1.400 1.488 474 H LYS 60 H LYS 60 -18.714 -1.491 4.934 475 HA LYS 60 HA LYS 60 -19.367 -0.163 7.258 476 HB2 LYS 60 1HB LYS 60 -21.650 -1.565 6.561 477 HB3 LYS 60 2HB LYS 60 -20.931 -2.699 7.656 478 HG2 LYS 60 1HG LYS 60 -21.553 0.244 8.132 479 HG3 LYS 60 2HG LYS 60 -22.355 -1.159 8.812 480 HD2 LYS 60 1HD LYS 60 -20.227 -1.709 10.084 481 HD3 LYS 60 2HD LYS 60 -19.558 -0.191 9.474 482 HE2 LYS 60 1HE LYS 60 -20.412 0.428 11.558 483 HE3 LYS 60 2HE LYS 60 -21.644 0.964 10.412 484 HZ1 LYS 60 3HZ LYS 60 -22.847 -1.134 10.934 485 HZ2 LYS 60 1HZ LYS 60 -21.708 -1.504 12.052 486 HZ3 LYS 60 2HZ LYS 60 -22.673 -0.185 12.253 487 H ALA 61 H ALA 61 -16.930 -0.802 6.706 488 HA ALA 61 HA ALA 61 -16.253 -2.447 8.944 489 HB1 ALA 61 1HB ALA 61 -15.397 -3.416 6.189 490 HB2 ALA 61 2HB ALA 61 -14.734 -3.992 7.716 491 HB3 ALA 61 3HB ALA 61 -16.434 -4.280 7.336 492 H ALA 62 H ALA 62 -13.628 -2.644 8.776 493 HA ALA 62 HA ALA 62 -12.462 -0.163 7.697 494 HB1 ALA 62 1HB ALA 62 -12.953 0.363 9.989 495 HB2 ALA 62 2HB ALA 62 -12.238 -1.186 10.545 496 HB3 ALA 62 3HB ALA 62 -11.214 0.078 9.848 497 H ALA 63 H ALA 63 -10.035 -0.326 7.686 498 HA ALA 63 HA ALA 63 -8.714 -2.816 8.290 499 HB1 ALA 63 1HB ALA 63 -7.696 -3.165 6.109 500 HB2 ALA 63 2HB ALA 63 -9.459 -3.308 5.948 501 HB3 ALA 63 3HB ALA 63 -8.628 -1.833 5.402 502 H ASP 64 H ASP 64 -6.688 -2.174 9.113 503 HA ASP 64 HA ASP 64 -5.846 0.622 8.843 504 HB2 ASP 64 1HB ASP 64 -4.158 -0.937 10.450 505 HB3 ASP 64 2HB ASP 64 -5.261 0.306 10.967 506 H VAL 65 H VAL 65 -4.473 0.974 7.238 507 HA VAL 65 HA VAL 65 -3.060 -1.342 6.088 508 HB VAL 65 HB VAL 65 -3.338 1.399 4.977 509 HG11 VAL 65 1HG1 VAL 65 -1.271 0.503 4.139 510 HG12 VAL 65 2HG1 VAL 65 -1.965 -1.129 3.979 511 HG13 VAL 65 3HG1 VAL 65 -2.484 0.168 2.901 512 HG21 VAL 65 3HG2 VAL 65 -4.829 0.266 3.404 513 HG22 VAL 65 1HG2 VAL 65 -4.544 -1.311 4.199 514 HG23 VAL 65 2HG2 VAL 65 -5.406 -0.018 5.050 515 H TYR 66 H TYR 66 -1.371 -1.683 7.618 516 HA TYR 66 HA TYR 66 0.155 0.524 8.711 517 HB2 TYR 66 1HB TYR 66 0.957 -2.394 8.830 518 HB3 TYR 66 2HB TYR 66 1.433 -1.070 9.873 519 HD1 TYR 66 1HD TYR 66 -0.336 -0.094 11.456 520 HD2 TYR 66 2HD TYR 66 -1.052 -3.604 9.076 521 HE1 TYR 66 1HE TYR 66 -2.104 -0.841 13.057 522 HE2 TYR 66 2HE TYR 66 -2.854 -4.290 10.540 523 HH TYR 66 HH TYR 66 -4.371 -3.156 12.192 524 H ALA 67 H ALA 67 1.347 1.605 7.382 525 HA ALA 67 HA ALA 67 2.276 1.210 5.023 526 HB1 ALA 67 1HB ALA 67 2.435 3.359 6.049 527 HB2 ALA 67 2HB ALA 67 3.606 2.787 7.255 528 HB3 ALA 67 3HB ALA 67 4.105 2.980 5.575 529 HA PRO 68 HA PRO 68 5.293 -1.665 4.739 530 HB2 PRO 68 1HB PRO 68 6.447 -1.216 2.311 531 HB3 PRO 68 2HB PRO 68 4.716 -1.526 2.536 532 HG2 PRO 68 1HG PRO 68 6.041 1.172 2.171 533 HG3 PRO 68 2HG PRO 68 4.603 0.518 1.343 534 HD2 PRO 68 1HD PRO 68 4.407 2.136 3.526 535 HD3 PRO 68 2HD PRO 68 3.248 0.848 3.220 536 H LEU 69 H LEU 69 6.931 1.482 4.354 537 HA LEU 69 HA LEU 69 9.432 0.349 5.455 538 HB2 LEU 69 1HB LEU 69 9.219 2.162 3.033 539 HB3 LEU 69 2HB LEU 69 10.671 1.933 3.956 540 HG LEU 69 HG LEU 69 10.843 0.756 1.942 541 HD11 LEU 69 1HD1 LEU 69 12.009 -0.227 3.815 542 HD12 LEU 69 2HD1 LEU 69 10.593 -1.201 4.266 543 HD13 LEU 69 3HD1 LEU 69 11.454 -1.518 2.749 544 HD21 LEU 69 3HD2 LEU 69 8.598 -1.104 2.674 545 HD22 LEU 69 1HD2 LEU 69 8.402 0.270 1.568 546 HD23 LEU 69 2HD2 LEU 69 9.517 -1.052 1.180 547 H SER 70 H SER 70 10.767 2.306 6.275 548 HA SER 70 HA SER 70 9.044 4.559 7.143 549 HB2 SER 70 1HB SER 70 10.836 3.643 8.664 550 HB3 SER 70 2HB SER 70 12.042 4.245 7.506 551 HG SER 70 HG SER 70 10.027 5.845 8.771 552 H GLY 71 H GLY 71 9.978 6.773 6.526 553 HA2 GLY 71 1HA GLY 71 11.369 7.787 4.578 554 HA3 GLY 71 2HA GLY 71 10.234 6.804 3.609 555 H LYS 72 H LYS 72 9.553 9.030 2.853 556 HA LYS 72 HA LYS 72 7.597 10.269 4.730 557 HB2 LYS 72 1HB LYS 72 9.546 11.505 5.039 558 HB3 LYS 72 2HB LYS 72 10.003 11.453 3.379 559 HG2 LYS 72 1HG LYS 72 9.085 13.425 2.964 560 HG3 LYS 72 2HG LYS 72 7.493 12.913 3.508 561 HD2 LYS 72 1HD LYS 72 7.866 13.606 5.729 562 HD3 LYS 72 2HD LYS 72 9.631 13.660 5.522 563 HE2 LYS 72 1HE LYS 72 9.540 15.584 4.121 564 HE3 LYS 72 2HE LYS 72 7.767 15.504 3.998 565 HZ1 LYS 72 3HZ LYS 72 8.609 17.150 5.594 566 HZ2 LYS 72 1HZ LYS 72 7.579 16.052 6.260 567 HZ3 LYS 72 2HZ LYS 72 9.219 15.928 6.523 568 H ILE 73 H ILE 73 5.725 10.803 3.852 569 HA ILE 73 HA ILE 73 4.956 9.676 1.338 570 HB ILE 73 HB ILE 73 3.508 11.730 3.024 571 HG12 ILE 73 1HG1 ILE 73 3.782 10.128 4.677 572 HG13 ILE 73 2HG1 ILE 73 2.263 9.666 3.975 573 HG21 ILE 73 1HG2 ILE 73 1.460 10.875 2.085 574 HG22 ILE 73 2HG2 ILE 73 2.519 11.248 0.751 575 HG23 ILE 73 3HG2 ILE 73 2.313 9.562 1.237 576 HD11 ILE 73 3HD1 ILE 73 3.315 7.629 4.180 577 HD12 ILE 73 1HD1 ILE 73 3.714 8.054 2.504 578 HD13 ILE 73 2HD1 ILE 73 4.914 8.280 3.783 579 H VAL 74 H VAL 74 4.592 10.708 -0.625 580 HA VAL 74 HA VAL 74 4.891 13.620 -0.841 581 HB VAL 74 HB VAL 74 6.634 13.323 -2.679 582 HG11 VAL 74 1HG1 VAL 74 8.580 13.128 -1.319 583 HG12 VAL 74 2HG1 VAL 74 7.336 13.979 -0.385 584 HG13 VAL 74 3HG1 VAL 74 7.707 12.275 -0.039 585 HG21 VAL 74 3HG2 VAL 74 6.914 10.473 -1.650 586 HG22 VAL 74 1HG2 VAL 74 6.263 10.954 -3.234 587 HG23 VAL 74 2HG2 VAL 74 7.951 11.276 -2.841 588 H GLU 75 H GLU 75 3.179 10.797 -1.814 589 HA GLU 75 HA GLU 75 1.784 12.504 -3.660 590 HB2 GLU 75 1HB GLU 75 3.674 10.849 -4.861 591 HB3 GLU 75 2HB GLU 75 2.242 9.822 -4.832 592 HG2 GLU 75 1HG GLU 75 0.977 11.648 -5.974 593 HG3 GLU 75 2HG GLU 75 2.501 12.542 -6.127 594 H VAL 76 H VAL 76 -0.485 11.513 -3.976 595 HA VAL 76 HA VAL 76 -1.079 9.131 -2.399 596 HB VAL 76 HB VAL 76 -2.863 10.140 -1.174 597 HG11 VAL 76 1HG1 VAL 76 -0.638 10.329 -0.066 598 HG12 VAL 76 2HG1 VAL 76 -0.458 11.967 -0.748 599 HG13 VAL 76 3HG1 VAL 76 -1.755 11.628 0.383 600 HG21 VAL 76 3HG2 VAL 76 -3.298 12.599 -1.196 601 HG22 VAL 76 1HG2 VAL 76 -2.155 12.749 -2.554 602 HG23 VAL 76 2HG2 VAL 76 -3.651 11.810 -2.736 603 H ASN 77 H ASN 77 -3.174 8.158 -3.154 604 HA ASN 77 HA ASN 77 -3.528 8.833 -5.981 605 HB2 ASN 77 1HB ASN 77 -3.233 6.443 -4.976 606 HB3 ASN 77 2HB ASN 77 -4.893 6.568 -4.542 607 HD21 ASN 77 1HD2 ASN 77 -4.706 4.673 -6.017 608 HD22 ASN 77 2HD2 ASN 77 -5.005 4.828 -7.719 609 H GLU 78 H GLU 78 -4.710 10.874 -5.750 610 HA GLU 78 HA GLU 78 -7.110 11.109 -4.318 611 HB2 GLU 78 1HB GLU 78 -5.929 12.568 -6.695 612 HB3 GLU 78 2HB GLU 78 -7.519 12.989 -6.068 613 HG2 GLU 78 1HG GLU 78 -6.577 13.479 -3.861 614 HG3 GLU 78 2HG GLU 78 -4.961 12.998 -4.432 615 H LYS 79 H LYS 79 -6.651 9.245 -7.035 616 HA LYS 79 HA LYS 79 -9.301 9.210 -8.166 617 HB2 LYS 79 1HB LYS 79 -7.039 7.207 -7.923 618 HB3 LYS 79 2HB LYS 79 -8.605 6.578 -8.350 619 HG2 LYS 79 1HG LYS 79 -7.238 8.806 -9.878 620 HG3 LYS 79 2HG LYS 79 -7.225 7.089 -10.286 621 HD2 LYS 79 1HD LYS 79 -9.967 7.626 -9.892 622 HD3 LYS 79 2HD LYS 79 -9.393 9.089 -10.684 623 HE2 LYS 79 1HE LYS 79 -8.767 6.272 -11.620 624 HE3 LYS 79 2HE LYS 79 -10.224 7.148 -12.145 625 HZ1 LYS 79 3HZ LYS 79 -8.878 8.826 -13.112 626 HZ2 LYS 79 1HZ LYS 79 -7.485 8.181 -12.573 627 HZ3 LYS 79 2HZ LYS 79 -8.370 7.374 -13.717 628 H LEU 80 H LEU 80 -7.932 7.648 -5.270 629 HA LEU 80 HA LEU 80 -10.252 5.967 -4.878 630 HB2 LEU 80 1HB LEU 80 -7.791 6.573 -3.212 631 HB3 LEU 80 2HB LEU 80 -9.044 5.433 -2.714 632 HG LEU 80 HG LEU 80 -6.813 4.595 -3.820 633 HD11 LEU 80 1HD1 LEU 80 -8.746 3.184 -3.089 634 HD12 LEU 80 2HD1 LEU 80 -9.612 3.533 -4.593 635 HD13 LEU 80 3HD1 LEU 80 -8.111 2.600 -4.637 636 HD21 LEU 80 3HD2 LEU 80 -8.585 4.914 -6.311 637 HD22 LEU 80 1HD2 LEU 80 -7.084 5.798 -5.978 638 HD23 LEU 80 2HD2 LEU 80 -7.051 4.039 -6.192 639 H ASP 81 H ASP 81 -9.552 9.237 -4.132 640 HA ASP 81 HA ASP 81 -11.169 9.743 -1.847 641 HB2 ASP 81 1HB ASP 81 -9.512 11.277 -3.101 642 HB3 ASP 81 2HB ASP 81 -10.765 11.491 -4.307 643 H THR 82 H THR 82 -11.847 9.304 -5.294 644 HA THR 82 HA THR 82 -14.759 9.797 -4.891 645 HB THR 82 HB THR 82 -14.629 10.567 -7.291 646 HG1 THR 82 1HG THR 82 -12.428 9.472 -7.495 647 HG21 THR 82 3HG2 THR 82 -13.650 12.751 -6.739 648 HG22 THR 82 1HG2 THR 82 -14.570 12.152 -5.352 649 HG23 THR 82 2HG2 THR 82 -12.802 12.077 -5.343 650 H GLU 83 H GLU 83 -12.437 7.493 -6.089 651 HA GLU 83 HA GLU 83 -14.600 5.556 -6.693 652 HB2 GLU 83 1HB GLU 83 -12.075 6.148 -8.194 653 HB3 GLU 83 2HB GLU 83 -12.893 4.591 -8.368 654 HG2 GLU 83 1HG GLU 83 -14.145 7.270 -9.061 655 HG3 GLU 83 2HG GLU 83 -13.357 6.187 -10.202 656 HA PRO 84 HA PRO 84 -11.445 4.238 -3.445 657 HB2 PRO 84 1HB PRO 84 -13.469 3.400 -1.654 658 HB3 PRO 84 2HB PRO 84 -12.448 4.873 -1.545 659 HG2 PRO 84 1HG PRO 84 -15.281 4.606 -2.340 660 HG3 PRO 84 2HG PRO 84 -14.365 6.062 -1.832 661 HD2 PRO 84 1HD PRO 84 -15.171 5.389 -4.456 662 HD3 PRO 84 2HD PRO 84 -14.012 6.661 -4.003 663 H GLU 85 H GLU 85 -14.033 2.986 -5.274 664 HA GLU 85 HA GLU 85 -13.762 0.195 -4.668 665 HB2 GLU 85 1HB GLU 85 -15.054 1.797 -6.884 666 HB3 GLU 85 2HB GLU 85 -15.013 0.029 -6.915 667 HG2 GLU 85 1HG GLU 85 -16.039 -0.076 -4.695 668 HG3 GLU 85 2HG GLU 85 -16.123 1.686 -4.626 669 H LEU 86 H LEU 86 -11.531 2.305 -6.161 670 HA LEU 86 HA LEU 86 -10.926 0.690 -8.417 671 HB2 LEU 86 1HB LEU 86 -9.761 3.098 -7.175 672 HB3 LEU 86 2HB LEU 86 -8.524 2.022 -7.795 673 HG LEU 86 HG LEU 86 -10.717 3.411 -9.344 674 HD11 LEU 86 1HD1 LEU 86 -8.835 4.219 -10.627 675 HD12 LEU 86 2HD1 LEU 86 -8.458 4.442 -8.901 676 HD13 LEU 86 3HD1 LEU 86 -7.735 3.097 -9.798 677 HD21 LEU 86 3HD2 LEU 86 -9.290 0.861 -10.032 678 HD22 LEU 86 1HD2 LEU 86 -10.945 1.313 -10.390 679 HD23 LEU 86 2HD2 LEU 86 -9.570 2.009 -11.337 680 H ILE 87 H ILE 87 -9.971 0.194 -5.116 681 HA ILE 87 HA ILE 87 -7.709 -1.486 -5.736 682 HB ILE 87 HB ILE 87 -9.486 -1.650 -3.288 683 HG12 ILE 87 1HG1 ILE 87 -6.925 -0.336 -2.813 684 HG13 ILE 87 2HG1 ILE 87 -7.795 0.555 -4.021 685 HG21 ILE 87 1HG2 ILE 87 -6.588 -2.468 -3.633 686 HG22 ILE 87 2HG2 ILE 87 -7.692 -2.705 -2.247 687 HG23 ILE 87 3HG2 ILE 87 -7.966 -3.577 -3.705 688 HD11 ILE 87 3HD1 ILE 87 -8.274 1.381 -1.736 689 HD12 ILE 87 1HD1 ILE 87 -9.737 0.771 -2.509 690 HD13 ILE 87 2HD1 ILE 87 -8.905 -0.215 -1.282 691 H ASN 88 H ASN 88 -11.263 -1.955 -5.857 692 HA ASN 88 HA ASN 88 -11.150 -4.852 -5.981 693 HB2 ASN 88 1HB ASN 88 -13.052 -2.793 -7.162 694 HB3 ASN 88 2HB ASN 88 -13.235 -4.527 -7.363 695 HD21 ASN 88 1HD2 ASN 88 -12.993 -2.185 -4.624 696 HD22 ASN 88 2HD2 ASN 88 -14.123 -3.096 -3.633 697 H LYS 89 H LYS 89 -11.284 -2.236 -8.263 698 HA LYS 89 HA LYS 89 -11.507 -3.541 -10.672 699 HB2 LYS 89 1HB LYS 89 -11.167 -0.908 -9.634 700 HB3 LYS 89 2HB LYS 89 -10.074 -1.013 -10.937 701 HG2 LYS 89 1HG LYS 89 -12.944 -1.995 -11.270 702 HG3 LYS 89 2HG LYS 89 -12.577 -0.274 -11.264 703 HD2 LYS 89 1HD LYS 89 -10.950 -0.605 -13.101 704 HD3 LYS 89 2HD LYS 89 -11.392 -2.327 -13.160 705 HE2 LYS 89 1HE LYS 89 -13.758 -1.702 -13.629 706 HE3 LYS 89 2HE LYS 89 -13.329 0.011 -13.514 707 HZ1 LYS 89 3HZ LYS 89 -13.338 -0.523 -15.775 708 HZ2 LYS 89 1HZ LYS 89 -11.772 -0.384 -15.368 709 HZ3 LYS 89 2HZ LYS 89 -12.391 -1.896 -15.561 710 H ASP 90 H ASP 90 -8.515 -2.264 -9.206 711 HA ASP 90 HA ASP 90 -6.985 -4.489 -10.256 712 HB2 ASP 90 1HB ASP 90 -7.041 -2.270 -11.949 713 HB3 ASP 90 2HB ASP 90 -5.613 -1.965 -11.064 714 HA PRO 91 HA PRO 91 -6.096 -2.758 -6.067 715 HB2 PRO 91 1HB PRO 91 -4.799 -5.167 -5.220 716 HB3 PRO 91 2HB PRO 91 -6.436 -4.638 -4.823 717 HG2 PRO 91 1HG PRO 91 -5.558 -6.670 -6.770 718 HG3 PRO 91 2HG PRO 91 -7.174 -6.434 -6.031 719 HD2 PRO 91 1HD PRO 91 -6.497 -5.846 -8.658 720 HD3 PRO 91 2HD PRO 91 -7.897 -5.177 -7.800 721 H GLU 92 H GLU 92 -3.995 -4.435 -8.310 722 HA GLU 92 HA GLU 92 -1.586 -3.199 -7.178 723 HB2 GLU 92 1HB GLU 92 -1.693 -5.818 -8.561 724 HB3 GLU 92 2HB GLU 92 -0.427 -5.192 -7.505 725 HG2 GLU 92 1HG GLU 92 -2.125 -5.337 -5.595 726 HG3 GLU 92 2HG GLU 92 -3.226 -6.145 -6.707 727 H GLY 93 H GLY 93 -3.360 -2.038 -9.082 728 HA2 GLY 93 1HA GLY 93 -1.431 -1.559 -11.293 729 HA3 GLY 93 2HA GLY 93 -3.132 -1.866 -11.681 730 H GLU 94 H GLU 94 -4.763 -0.285 -10.579 731 HA GLU 94 HA GLU 94 -3.528 2.366 -10.169 732 HB2 GLU 94 1HB GLU 94 -6.101 1.726 -11.649 733 HB3 GLU 94 2HB GLU 94 -5.609 3.335 -11.085 734 HG2 GLU 94 1HG GLU 94 -3.400 2.896 -12.246 735 HG3 GLU 94 2HG GLU 94 -4.166 1.531 -13.053 736 H GLY 95 H GLY 95 -5.468 -0.072 -8.670 737 HA2 GLY 95 1HA GLY 95 -6.575 1.716 -6.669 738 HA3 GLY 95 2HA GLY 95 -6.475 -0.011 -6.571 739 H TRP 96 H TRP 96 -3.710 2.204 -7.081 740 HA TRP 96 HA TRP 96 -2.233 1.252 -4.752 741 HB2 TRP 96 1HB TRP 96 -0.569 2.863 -5.395 742 HB3 TRP 96 2HB TRP 96 -1.064 1.916 -6.765 743 HD1 TRP 96 HD TRP 96 -2.326 3.197 -8.703 744 HE1 TRP 96 1HE TRP 96 -2.430 5.665 -9.394 745 HE3 TRP 96 3HE TRP 96 -0.407 5.338 -4.451 746 HZ2 TRP 96 2HZ TRP 96 -1.680 8.222 -8.289 747 HZ3 TRP 96 3HZ TRP 96 -0.137 7.840 -4.332 748 HH2 TRP 96 HH TRP 96 -0.656 9.232 -6.290 749 H LEU 97 H LEU 97 -1.738 2.608 -2.832 750 HA LEU 97 HA LEU 97 -4.037 4.409 -2.237 751 HB2 LEU 97 1HB LEU 97 -2.144 3.352 -0.166 752 HB3 LEU 97 2HB LEU 97 -3.664 4.219 0.037 753 HG LEU 97 HG LEU 97 -4.115 1.637 -1.261 754 HD11 LEU 97 1HD1 LEU 97 -2.600 1.647 1.353 755 HD12 LEU 97 2HD1 LEU 97 -3.448 0.247 0.672 756 HD13 LEU 97 3HD1 LEU 97 -2.052 0.956 -0.170 757 HD21 LEU 97 3HD2 LEU 97 -5.661 1.266 0.561 758 HD22 LEU 97 1HD2 LEU 97 -4.888 2.458 1.603 759 HD23 LEU 97 2HD2 LEU 97 -5.799 2.982 0.163 760 H PHE 98 H PHE 98 -0.274 4.204 -1.359 761 HA PHE 98 HA PHE 98 -0.461 7.106 -2.155 762 HB2 PHE 98 1HB PHE 98 0.476 7.910 -0.122 763 HB3 PHE 98 2HB PHE 98 -1.035 7.104 0.177 764 HD1 PHE 98 1HD PHE 98 -1.105 4.875 1.315 765 HD2 PHE 98 2HD PHE 98 2.545 7.108 0.883 766 HE1 PHE 98 1HE PHE 98 -0.044 3.502 3.117 767 HE2 PHE 98 2HE PHE 98 3.573 5.739 2.709 768 HZ PHE 98 HZ PHE 98 2.278 3.947 3.808 769 H LYS 99 H LYS 99 1.950 8.098 -1.660 770 HA LYS 99 HA LYS 99 3.898 6.032 -2.425 771 HB2 LYS 99 1HB LYS 99 3.970 8.766 -3.702 772 HB3 LYS 99 2HB LYS 99 5.013 7.393 -3.985 773 HG2 LYS 99 1HG LYS 99 2.997 6.162 -4.959 774 HG3 LYS 99 2HG LYS 99 2.134 7.681 -4.872 775 HD2 LYS 99 1HD LYS 99 4.033 8.724 -6.201 776 HD3 LYS 99 2HD LYS 99 4.715 7.108 -6.387 777 HE2 LYS 99 1HE LYS 99 2.748 6.324 -7.580 778 HE3 LYS 99 2HE LYS 99 1.884 7.850 -7.241 779 HZ1 LYS 99 3HZ LYS 99 4.364 7.678 -8.830 780 HZ2 LYS 99 1HZ LYS 99 2.855 7.816 -9.470 781 HZ3 LYS 99 2HZ LYS 99 3.437 9.029 -8.519 782 H MET 100 H MET 100 6.022 6.520 -1.766 783 HA MET 100 HA MET 100 6.443 8.903 -0.102 784 HB2 MET 100 1HB MET 100 7.558 7.130 1.529 785 HB3 MET 100 2HB MET 100 5.906 7.682 1.732 786 HG2 MET 100 1HG MET 100 4.964 5.718 0.779 787 HG3 MET 100 2HG MET 100 6.478 5.124 0.200 788 HE1 MET 100 3HE MET 100 8.183 4.371 3.826 789 HE2 MET 100 1HE MET 100 8.556 5.050 2.231 790 HE3 MET 100 2HE MET 100 7.902 6.089 3.529 791 H GLU 101 H GLU 101 8.518 9.536 -0.039 792 HA GLU 101 HA GLU 101 10.585 8.426 -1.774 793 HB2 GLU 101 1HB GLU 101 10.264 10.866 -1.304 794 HB3 GLU 101 2HB GLU 101 10.615 10.572 0.399 795 HG2 GLU 101 1HG GLU 101 12.909 9.802 -0.224 796 HG3 GLU 101 2HG GLU 101 12.532 10.070 -1.935 797 H ILE 102 H ILE 102 11.789 6.777 -1.186 798 HA ILE 102 HA ILE 102 11.552 5.572 1.481 799 HB ILE 102 HB ILE 102 13.144 3.904 0.532 800 HG12 ILE 102 1HG1 ILE 102 13.000 5.571 -1.982 801 HG13 ILE 102 2HG1 ILE 102 14.414 5.223 -1.052 802 HG21 ILE 102 1HG2 ILE 102 10.660 3.725 0.388 803 HG22 ILE 102 2HG2 ILE 102 10.745 4.381 -1.275 804 HG23 ILE 102 3HG2 ILE 102 11.508 2.823 -0.868 805 HD11 ILE 102 3HD1 ILE 102 14.485 3.865 -3.015 806 HD12 ILE 102 1HD1 ILE 102 14.020 2.749 -1.701 807 HD13 ILE 102 2HD1 ILE 102 12.795 3.385 -2.839 808 H SER 103 H SER 103 13.340 5.282 2.890 809 HA SER 103 HA SER 103 15.583 7.183 2.507 810 HB2 SER 103 1HB SER 103 14.295 6.149 5.058 811 HB3 SER 103 2HB SER 103 15.823 7.034 4.980 812 HG SER 103 HG SER 103 14.410 8.643 3.720 813 H ASP 104 H ASP 104 14.592 3.861 3.112 814 HA ASP 104 HA ASP 104 17.439 3.081 3.488 815 HB2 ASP 104 1HB ASP 104 15.491 1.636 5.166 816 HB3 ASP 104 2HB ASP 104 17.112 2.179 5.521 817 H GLU 105 H GLU 105 17.222 2.538 1.213 818 HA GLU 105 HA GLU 105 15.231 0.652 0.353 819 HB2 GLU 105 1HB GLU 105 15.897 1.145 -1.691 820 HB3 GLU 105 2HB GLU 105 16.829 2.407 -0.944 821 HG2 GLU 105 1HG GLU 105 18.837 0.919 -0.894 822 HG3 GLU 105 2HG GLU 105 17.917 -0.343 -1.715 823 H GLY 106 H GLY 106 17.950 0.307 2.241 824 HA2 GLY 106 1HA GLY 106 18.664 -2.458 1.625 825 HA3 GLY 106 2HA GLY 106 19.171 -1.525 3.037 826 H GLU 107 H GLU 107 16.025 -0.956 3.330 827 HA GLU 107 HA GLU 107 15.505 -3.308 5.040 828 HB2 GLU 107 1HB GLU 107 14.042 -0.683 4.550 829 HB3 GLU 107 2HB GLU 107 13.427 -1.941 5.609 830 HG2 GLU 107 1HG GLU 107 16.085 -0.496 5.973 831 HG3 GLU 107 2HG GLU 107 14.593 -0.123 6.817 832 H LEU 108 H LEU 108 14.832 -2.316 1.769 833 HA LEU 108 HA LEU 108 12.160 -3.337 1.509 834 HB2 LEU 108 1HB LEU 108 14.310 -3.509 -0.600 835 HB3 LEU 108 2HB LEU 108 12.575 -3.521 -0.847 836 HG LEU 108 HG LEU 108 14.365 -1.214 -0.230 837 HD11 LEU 108 1HD1 LEU 108 14.326 -2.001 -2.522 838 HD12 LEU 108 2HD1 LEU 108 12.559 -1.898 -2.549 839 HD13 LEU 108 3HD1 LEU 108 13.562 -0.417 -2.416 840 HD21 LEU 108 3HD2 LEU 108 11.382 -1.178 -0.128 841 HD22 LEU 108 1HD2 LEU 108 12.593 -0.633 1.081 842 HD23 LEU 108 2HD2 LEU 108 12.391 0.270 -0.411 843 H GLU 109 H GLU 109 15.357 -4.827 1.169 844 HA GLU 109 HA GLU 109 14.579 -7.381 0.224 845 HB2 GLU 109 1HB GLU 109 16.945 -6.522 1.915 846 HB3 GLU 109 2HB GLU 109 16.842 -8.070 1.078 847 HG2 GLU 109 1HG GLU 109 16.907 -5.321 -0.250 848 HG3 GLU 109 2HG GLU 109 18.263 -6.430 -0.097 849 H ASP 110 H ASP 110 14.308 -5.977 3.426 850 HA ASP 110 HA ASP 110 14.292 -8.568 4.800 851 HB2 ASP 110 1HB ASP 110 15.361 -6.428 5.680 852 HB3 ASP 110 2HB ASP 110 13.729 -5.804 5.934 853 H LEU 111 H LEU 111 12.081 -6.901 3.010 854 HA LEU 111 HA LEU 111 9.631 -7.851 4.473 855 HB2 LEU 111 1HB LEU 111 9.988 -6.080 2.020 856 HB3 LEU 111 2HB LEU 111 8.459 -6.485 2.781 857 HG LEU 111 HG LEU 111 10.649 -4.865 4.127 858 HD11 LEU 111 1HD1 LEU 111 9.151 -2.988 3.755 859 HD12 LEU 111 2HD1 LEU 111 9.625 -3.709 2.213 860 HD13 LEU 111 3HD1 LEU 111 8.000 -4.020 2.881 861 HD21 LEU 111 3HD2 LEU 111 7.791 -5.516 4.988 862 HD22 LEU 111 1HD2 LEU 111 9.286 -6.034 5.799 863 HD23 LEU 111 2HD2 LEU 111 8.852 -4.320 5.770 864 H LEU 112 H LEU 112 8.011 -8.347 2.354 865 HA LEU 112 HA LEU 112 9.028 -11.046 1.665 866 HB2 LEU 112 1HB LEU 112 6.246 -9.816 1.551 867 HB3 LEU 112 2HB LEU 112 6.618 -11.518 1.345 868 HG LEU 112 HG LEU 112 7.197 -9.975 3.933 869 HD11 LEU 112 1HD1 LEU 112 4.725 -11.588 3.257 870 HD12 LEU 112 2HD1 LEU 112 5.165 -10.880 4.833 871 HD13 LEU 112 3HD1 LEU 112 4.852 -9.818 3.459 872 HD21 LEU 112 3HD2 LEU 112 7.054 -12.951 3.294 873 HD22 LEU 112 1HD2 LEU 112 8.485 -12.007 3.790 874 HD23 LEU 112 2HD2 LEU 112 7.164 -12.267 4.927 875 H ASP 113 H ASP 113 9.356 -11.633 -0.484 876 HA ASP 113 HA ASP 113 8.812 -9.756 -2.669 877 HB2 ASP 113 1HB ASP 113 10.620 -11.592 -2.596 878 HB3 ASP 113 2HB ASP 113 9.353 -12.725 -3.030 879 H GLU 114 H GLU 114 7.709 -11.024 -4.497 880 HA GLU 114 HA GLU 114 4.904 -10.873 -3.956 881 HB2 GLU 114 1HB GLU 114 6.009 -10.245 -6.117 882 HB3 GLU 114 2HB GLU 114 6.270 -11.947 -6.483 883 HG2 GLU 114 1HG GLU 114 3.915 -12.365 -6.713 884 HG3 GLU 114 2HG GLU 114 3.486 -10.831 -5.944 885 H GLN 115 H GLN 115 6.935 -13.724 -4.749 886 HA GLN 115 HA GLN 115 4.680 -15.560 -4.653 887 HB2 GLN 115 1HB GLN 115 6.357 -16.147 -6.156 888 HB3 GLN 115 2HB GLN 115 7.638 -15.634 -5.085 889 HG2 GLN 115 1HG GLN 115 7.667 -18.015 -5.411 890 HG3 GLN 115 2HG GLN 115 7.447 -17.582 -3.720 891 HE21 GLN 115 1HE2 GLN 115 4.718 -17.634 -6.143 892 HE22 GLN 115 2HE2 GLN 115 3.973 -19.048 -5.441 893 H ALA 116 H ALA 116 7.369 -14.598 -2.492 894 HA ALA 116 HA ALA 116 6.742 -16.292 -0.304 895 HB1 ALA 116 1HB ALA 116 8.044 -14.690 1.003 896 HB2 ALA 116 2HB ALA 116 8.832 -14.940 -0.575 897 HB3 ALA 116 3HB ALA 116 7.889 -13.469 -0.277 898 H TYR 117 H TYR 117 5.404 -13.106 -1.294 899 HA TYR 117 HA TYR 117 3.667 -12.832 0.979 900 HB2 TYR 117 1HB TYR 117 4.181 -10.857 -0.121 901 HB3 TYR 117 2HB TYR 117 3.932 -11.538 -1.727 902 HD1 TYR 117 2HD TYR 117 1.954 -10.962 1.428 903 HD2 TYR 117 1HD TYR 117 1.992 -11.084 -2.902 904 HE1 TYR 117 2HE TYR 117 -0.482 -10.610 1.395 905 HE2 TYR 117 1HE TYR 117 -0.448 -10.709 -2.934 906 HH TYR 117 HH TYR 117 -2.320 -11.200 -1.414 907 H GLN 118 H GLN 118 3.134 -14.139 -2.360 908 HA GLN 118 HA GLN 118 0.422 -14.801 -2.030 909 HB2 GLN 118 1HB GLN 118 0.826 -15.301 -4.138 910 HB3 GLN 118 2HB GLN 118 2.565 -15.407 -3.876 911 HG2 GLN 118 1HG GLN 118 2.522 -17.720 -3.427 912 HG3 GLN 118 2HG GLN 118 0.764 -17.747 -3.293 913 HE21 GLN 118 1HE2 GLN 118 1.195 -19.546 -4.895 914 HE22 GLN 118 2HE2 GLN 118 1.059 -19.156 -6.597 915 H GLU 119 H GLU 119 3.338 -16.799 -1.112 916 HA GLU 119 HA GLU 119 1.903 -18.880 -0.015 917 HB2 GLU 119 1HB GLU 119 4.239 -18.999 -0.643 918 HB3 GLU 119 2HB GLU 119 4.650 -17.650 0.411 919 HG2 GLU 119 1HG GLU 119 5.413 -19.659 1.378 920 HG3 GLU 119 2HG GLU 119 4.156 -18.948 2.390 921 H PHE 120 H PHE 120 2.931 -15.742 1.405 922 HA PHE 120 HA PHE 120 2.235 -16.282 4.114 923 HB2 PHE 120 1HB PHE 120 3.596 -14.353 3.189 924 HB3 PHE 120 2HB PHE 120 2.088 -13.606 2.681 925 HD1 PHE 120 1HD PHE 120 3.788 -15.038 5.701 926 HD2 PHE 120 2HD PHE 120 0.888 -12.246 4.156 927 HE1 PHE 120 1HE PHE 120 3.373 -14.199 7.981 928 HE2 PHE 120 2HE PHE 120 0.465 -11.432 6.444 929 HZ PHE 120 HZ PHE 120 1.687 -12.392 8.365 930 H CYS 121 H CYS 121 0.212 -15.328 1.313 931 HA CYS 121 HA CYS 121 -2.234 -15.109 2.900 932 HB2 CYS 121 1HB CYS 121 -1.670 -15.333 -0.085 933 HB3 CYS 121 2HB CYS 121 -3.297 -15.238 0.596 934 HG CYS 121 HG CYS 121 -2.284 -12.934 -0.393 935 H ALA 122 H ALA 122 -0.463 -17.790 1.486 936 HA ALA 122 HA ALA 122 -2.736 -19.656 1.493 937 HB1 ALA 122 1HB ALA 122 0.241 -20.253 1.226 938 HB2 ALA 122 2HB ALA 122 -1.114 -21.308 0.825 939 HB3 ALA 122 3HB ALA 122 -0.816 -19.863 -0.161 940 H GLN 123 H GLN 123 -0.945 -18.153 3.927 941 HA GLN 123 HA GLN 123 -1.395 -20.455 5.722 942 HB2 GLN 123 1HB GLN 123 0.444 -18.059 6.114 943 HB3 GLN 123 2HB GLN 123 0.178 -19.399 7.230 944 HG2 GLN 123 1HG GLN 123 0.861 -20.896 5.128 945 HG3 GLN 123 2HG GLN 123 1.620 -19.410 4.582 946 HE21 GLN 123 1HE2 GLN 123 1.509 -21.705 7.376 947 HE22 GLN 123 2HE2 GLN 123 3.218 -21.627 7.656 948 H GLU 124 H GLU 124 -3.335 -18.255 4.499 949 HA GLU 124 HA GLU 124 -4.601 -17.794 7.105 950 HB2 GLU 124 1HB GLU 124 -4.802 -16.150 4.521 951 HB3 GLU 124 2HB GLU 124 -5.889 -16.049 5.900 952 HG2 GLU 124 1HG GLU 124 -3.722 -15.587 7.300 953 HG3 GLU 124 2HG GLU 124 -2.978 -15.246 5.744 Start of MODEL 2 1 H1 MET 1 H MET 1 16.491 -0.397 -5.265 2 HA MET 1 HA MET 1 14.977 1.337 -6.194 3 HB2 MET 1 1HB MET 1 15.464 2.176 -8.406 4 HB3 MET 1 2HB MET 1 16.748 2.636 -7.292 5 HG2 MET 1 1HG MET 1 18.335 1.477 -8.423 6 HG3 MET 1 2HG MET 1 17.266 0.126 -8.815 7 HE1 MET 1 3HE MET 1 18.706 1.522 -12.274 8 HE2 MET 1 1HE MET 1 19.524 1.738 -10.714 9 HE3 MET 1 2HE MET 1 18.771 0.174 -11.112 10 H LYS 2 H LYS 2 13.549 0.843 -8.169 11 HA LYS 2 HA LYS 2 12.430 -0.490 -9.577 12 HB2 LYS 2 1HB LYS 2 14.498 0.456 -10.627 13 HB3 LYS 2 2HB LYS 2 15.252 -1.129 -10.500 14 HG2 LYS 2 1HG LYS 2 14.096 -1.941 -12.299 15 HG3 LYS 2 2HG LYS 2 12.578 -1.191 -11.785 16 HD2 LYS 2 1HD LYS 2 13.274 -0.204 -13.902 17 HD3 LYS 2 2HD LYS 2 13.316 0.985 -12.607 18 HE2 LYS 2 1HE LYS 2 15.886 0.145 -12.440 19 HE3 LYS 2 2HE LYS 2 15.592 -0.313 -14.123 20 HZ1 LYS 2 3HZ LYS 2 16.471 1.899 -14.051 21 HZ2 LYS 2 1HZ LYS 2 14.876 2.076 -14.426 22 HZ3 LYS 2 2HZ LYS 2 15.385 2.390 -12.925 23 H MET 3 H MET 3 11.761 -1.850 -7.671 24 HA MET 3 HA MET 3 12.036 -4.626 -8.324 25 HB2 MET 3 1HB MET 3 12.796 -5.356 -6.221 26 HB3 MET 3 2HB MET 3 13.985 -4.172 -6.742 27 HG2 MET 3 1HG MET 3 13.419 -2.699 -5.030 28 HG3 MET 3 2HG MET 3 11.753 -3.233 -4.960 29 HE1 MET 3 3HE MET 3 14.941 -5.542 -4.841 30 HE2 MET 3 1HE MET 3 15.381 -4.028 -4.003 31 HE3 MET 3 2HE MET 3 15.232 -5.547 -3.082 32 H LYS 4 H LYS 4 10.556 -5.788 -6.324 33 HA LYS 4 HA LYS 4 8.608 -3.898 -5.269 34 HB2 LYS 4 1HB LYS 4 7.614 -4.338 -7.433 35 HB3 LYS 4 2HB LYS 4 7.934 -6.069 -7.258 36 HG2 LYS 4 1HG LYS 4 6.248 -5.302 -5.073 37 HG3 LYS 4 2HG LYS 4 5.617 -4.477 -6.487 38 HD2 LYS 4 1HD LYS 4 6.150 -7.476 -6.270 39 HD3 LYS 4 2HD LYS 4 4.605 -6.641 -6.044 40 HE2 LYS 4 1HE LYS 4 4.384 -7.471 -8.178 41 HE3 LYS 4 2HE LYS 4 4.841 -5.786 -8.414 42 HZ1 LYS 4 3HZ LYS 4 6.460 -8.198 -8.831 43 HZ2 LYS 4 1HZ LYS 4 6.131 -6.998 -9.909 44 HZ3 LYS 4 2HZ LYS 4 7.176 -6.703 -8.707 45 H LYS 5 H LYS 5 8.393 -4.492 -3.155 46 HA LYS 5 HA LYS 5 8.322 -7.417 -2.584 47 HB2 LYS 5 1HB LYS 5 9.235 -5.291 -0.628 48 HB3 LYS 5 2HB LYS 5 9.163 -7.006 -0.328 49 HG2 LYS 5 1HG LYS 5 10.812 -6.164 -2.611 50 HG3 LYS 5 2HG LYS 5 11.411 -5.687 -1.054 51 HD2 LYS 5 1HD LYS 5 11.845 -7.957 -0.471 52 HD3 LYS 5 2HD LYS 5 10.757 -8.567 -1.738 53 HE2 LYS 5 1HE LYS 5 12.190 -7.854 -3.511 54 HE3 LYS 5 2HE LYS 5 13.123 -6.809 -2.426 55 HZ1 LYS 5 3HZ LYS 5 14.200 -8.579 -1.499 56 HZ2 LYS 5 1HZ LYS 5 13.249 -9.742 -2.314 57 HZ3 LYS 5 2HZ LYS 5 14.292 -8.766 -3.080 58 H TYR 6 H TYR 6 7.046 -7.796 -0.446 59 HA TYR 6 HA TYR 6 4.535 -6.173 -0.429 60 HB2 TYR 6 1HB TYR 6 4.801 -9.201 -0.295 61 HB3 TYR 6 2HB TYR 6 3.313 -8.299 -0.146 62 HD1 TYR 6 2HD TYR 6 6.095 -9.072 -2.535 63 HD2 TYR 6 1HD TYR 6 1.978 -7.870 -2.049 64 HE1 TYR 6 2HE TYR 6 5.743 -9.277 -4.954 65 HE2 TYR 6 1HE TYR 6 1.597 -8.170 -4.485 66 HH TYR 6 HH TYR 6 2.643 -9.454 -6.437 67 H THR 7 H THR 7 3.318 -6.336 1.690 68 HA THR 7 HA THR 7 5.210 -6.734 3.904 69 HB THR 7 HB THR 7 3.625 -5.422 5.138 70 HG1 THR 7 1HG THR 7 1.621 -4.910 4.389 71 HG21 THR 7 3HG2 THR 7 3.694 -4.063 2.430 72 HG22 THR 7 1HG2 THR 7 3.456 -3.322 4.022 73 HG23 THR 7 2HG2 THR 7 5.011 -4.055 3.623 74 H LYS 8 H LYS 8 3.732 -7.361 5.830 75 HA LYS 8 HA LYS 8 2.426 -9.984 5.227 76 HB2 LYS 8 1HB LYS 8 3.672 -9.036 7.837 77 HB3 LYS 8 2HB LYS 8 2.986 -10.622 7.490 78 HG2 LYS 8 1HG LYS 8 4.648 -11.084 5.806 79 HG3 LYS 8 2HG LYS 8 5.356 -9.473 5.930 80 HD2 LYS 8 1HD LYS 8 6.729 -11.153 6.989 81 HD3 LYS 8 2HD LYS 8 6.195 -9.931 8.154 82 HE2 LYS 8 1HE LYS 8 4.709 -11.374 9.221 83 HE3 LYS 8 2HE LYS 8 4.508 -12.402 7.793 84 HZ1 LYS 8 3HZ LYS 8 6.630 -13.338 8.148 85 HZ2 LYS 8 1HZ LYS 8 6.988 -12.300 9.372 86 HZ3 LYS 8 2HZ LYS 8 5.803 -13.434 9.555 87 H THR 9 H THR 9 1.330 -7.092 5.137 88 HA THR 9 HA THR 9 -1.139 -7.638 6.676 89 HB THR 9 HB THR 9 -1.284 -5.127 6.919 90 HG1 THR 9 1HG THR 9 0.101 -4.043 5.934 91 HG21 THR 9 3HG2 THR 9 -0.736 -6.586 8.775 92 HG22 THR 9 1HG2 THR 9 0.968 -6.562 8.379 93 HG23 THR 9 2HG2 THR 9 0.153 -5.065 8.894 94 H HIS 10 H HIS 10 -0.528 -8.464 3.902 95 HA HIS 10 HA HIS 10 -1.409 -8.415 1.880 96 HB2 HIS 10 1HB HIS 10 -3.930 -7.085 2.817 97 HB3 HIS 10 2HB HIS 10 -3.705 -8.534 1.829 98 HD1 HIS 10 1HD HIS 10 -3.360 -10.875 3.263 99 HD2 HIS 10 2HD HIS 10 -4.242 -7.324 5.402 100 HE1 HIS 10 1HE HIS 10 -4.119 -11.592 5.578 101 HE2 HIS 10 2HE HIS 10 -4.607 -9.474 6.929 102 H GLU 11 H GLU 11 0.271 -6.315 2.149 103 HA GLU 11 HA GLU 11 -0.892 -4.268 0.353 104 HB2 GLU 11 1HB GLU 11 0.955 -3.728 2.705 105 HB3 GLU 11 2HB GLU 11 0.543 -2.560 1.461 106 HG2 GLU 11 1HG GLU 11 -1.655 -2.349 2.161 107 HG3 GLU 11 2HG GLU 11 -1.706 -3.889 3.008 108 H TRP 12 H TRP 12 0.507 -3.588 -1.281 109 HA TRP 12 HA TRP 12 2.997 -5.189 -1.672 110 HB2 TRP 12 1HB TRP 12 2.535 -5.083 -4.078 111 HB3 TRP 12 2HB TRP 12 1.260 -5.929 -3.215 112 HD1 TRP 12 HD TRP 12 -1.134 -5.023 -3.342 113 HE1 TRP 12 1HE TRP 12 -2.320 -3.095 -4.476 114 HE3 TRP 12 3HE TRP 12 2.976 -2.549 -5.239 115 HZ2 TRP 12 2HZ TRP 12 -1.603 -0.777 -5.920 116 HZ3 TRP 12 3HZ TRP 12 2.622 -0.512 -6.580 117 HH2 TRP 12 HH TRP 12 0.353 0.423 -6.912 118 H VAL 13 H VAL 13 4.650 -4.071 -2.971 119 HA VAL 13 HA VAL 13 4.558 -1.135 -2.667 120 HB VAL 13 HB VAL 13 6.925 -2.826 -1.819 121 HG11 VAL 13 1HG1 VAL 13 7.438 -0.572 -2.022 122 HG12 VAL 13 2HG1 VAL 13 5.934 -0.017 -1.230 123 HG13 VAL 13 3HG1 VAL 13 7.225 -0.806 -0.296 124 HG21 VAL 13 3HG2 VAL 13 5.071 -3.696 -0.405 125 HG22 VAL 13 1HG2 VAL 13 6.167 -2.713 0.525 126 HG23 VAL 13 2HG2 VAL 13 4.599 -2.030 0.014 127 H SER 14 H SER 14 4.736 -0.521 -4.824 128 HA SER 14 HA SER 14 6.560 -1.922 -6.732 129 HB2 SER 14 1HB SER 14 4.514 0.255 -6.864 130 HB3 SER 14 2HB SER 14 5.853 0.412 -7.947 131 HG SER 14 HG SER 14 4.355 -0.705 -9.038 132 H ILE 15 H ILE 15 8.697 -1.490 -5.753 133 HA ILE 15 HA ILE 15 9.447 1.295 -5.174 134 HB ILE 15 HB ILE 15 11.049 -1.265 -5.240 135 HG12 ILE 15 1HG1 ILE 15 11.125 -0.247 -2.655 136 HG13 ILE 15 2HG1 ILE 15 9.529 0.210 -3.165 137 HG21 ILE 15 1HG2 ILE 15 11.958 1.525 -4.465 138 HG22 ILE 15 2HG2 ILE 15 12.876 0.013 -4.178 139 HG23 ILE 15 3HG2 ILE 15 12.552 0.538 -5.818 140 HD11 ILE 15 3HD1 ILE 15 9.054 -2.138 -3.833 141 HD12 ILE 15 1HD1 ILE 15 10.615 -2.621 -3.147 142 HD13 ILE 15 2HD1 ILE 15 9.369 -1.899 -2.117 143 H GLU 16 H GLU 16 9.395 2.566 -6.944 144 HA GLU 16 HA GLU 16 10.613 1.625 -9.439 145 HB2 GLU 16 1HB GLU 16 8.537 3.082 -9.352 146 HB3 GLU 16 2HB GLU 16 9.513 4.373 -8.707 147 HG2 GLU 16 1HG GLU 16 8.947 4.289 -11.240 148 HG3 GLU 16 2HG GLU 16 10.522 4.818 -10.716 149 H ASP 17 H ASP 17 11.688 4.684 -9.459 150 HA ASP 17 HA ASP 17 14.347 3.797 -9.092 151 HB2 ASP 17 1HB ASP 17 13.227 5.806 -10.469 152 HB3 ASP 17 2HB ASP 17 13.814 6.739 -9.096 153 H LYS 18 H LYS 18 12.563 6.306 -7.306 154 HA LYS 18 HA LYS 18 13.887 5.474 -4.752 155 HB2 LYS 18 1HB LYS 18 13.462 8.398 -5.355 156 HB3 LYS 18 2HB LYS 18 14.583 7.626 -4.244 157 HG2 LYS 18 1HG LYS 18 15.743 6.776 -6.526 158 HG3 LYS 18 2HG LYS 18 14.788 8.084 -7.232 159 HD2 LYS 18 1HD LYS 18 16.623 9.320 -6.722 160 HD3 LYS 18 2HD LYS 18 15.855 9.437 -5.142 161 HE2 LYS 18 1HE LYS 18 18.199 7.759 -6.049 162 HE3 LYS 18 2HE LYS 18 18.085 8.864 -4.685 163 HZ1 LYS 18 3HZ LYS 18 18.114 6.687 -3.839 164 HZ2 LYS 18 1HZ LYS 18 16.570 7.129 -3.652 165 HZ3 LYS 18 2HZ LYS 18 17.053 6.117 -4.897 166 H VAL 19 H VAL 19 10.977 5.708 -6.181 167 HA VAL 19 HA VAL 19 9.647 6.465 -3.671 168 HB VAL 19 HB VAL 19 8.930 7.289 -6.501 169 HG11 VAL 19 1HG1 VAL 19 6.815 8.218 -5.620 170 HG12 VAL 19 2HG1 VAL 19 6.847 6.453 -5.513 171 HG13 VAL 19 3HG1 VAL 19 7.133 7.441 -4.054 172 HG21 VAL 19 3HG2 VAL 19 10.373 8.879 -5.268 173 HG22 VAL 19 1HG2 VAL 19 8.729 9.548 -5.416 174 HG23 VAL 19 2HG2 VAL 19 9.256 8.832 -3.883 175 H ALA 20 H ALA 20 8.241 4.912 -2.994 176 HA ALA 20 HA ALA 20 7.728 2.640 -4.830 177 HB1 ALA 20 1HB ALA 20 8.809 2.107 -2.605 178 HB2 ALA 20 2HB ALA 20 7.300 2.633 -1.829 179 HB3 ALA 20 3HB ALA 20 7.293 1.263 -2.974 180 H THR 21 H THR 21 5.601 2.218 -5.382 181 HA THR 21 HA THR 21 3.447 3.952 -4.275 182 HB THR 21 HB THR 21 3.157 1.660 -6.252 183 HG1 THR 21 1HG THR 21 3.358 3.092 -7.887 184 HG21 THR 21 3HG2 THR 21 1.053 2.391 -5.284 185 HG22 THR 21 1HG2 THR 21 1.411 4.086 -5.665 186 HG23 THR 21 2HG2 THR 21 1.128 2.923 -6.966 187 H VAL 22 H VAL 22 2.026 3.243 -2.784 188 HA VAL 22 HA VAL 22 2.149 0.411 -1.916 189 HB VAL 22 HB VAL 22 1.195 2.807 -0.291 190 HG11 VAL 22 1HG1 VAL 22 1.946 -0.048 0.513 191 HG12 VAL 22 2HG1 VAL 22 1.412 1.242 1.615 192 HG13 VAL 22 3HG1 VAL 22 0.297 0.600 0.408 193 HG21 VAL 22 3HG2 VAL 22 3.554 3.196 -0.620 194 HG22 VAL 22 1HG2 VAL 22 3.327 2.555 1.003 195 HG23 VAL 22 2HG2 VAL 22 3.938 1.491 -0.294 196 H GLY 23 H GLY 23 0.352 -0.720 -2.362 197 HA2 GLY 23 1HA GLY 23 -2.243 0.568 -2.097 198 HA3 GLY 23 2HA GLY 23 -2.030 -0.391 -3.534 199 H ILE 24 H ILE 24 -3.887 -1.315 -1.791 200 HA ILE 24 HA ILE 24 -2.625 -3.422 -0.145 201 HB ILE 24 HB ILE 24 -4.849 -3.989 0.513 202 HG12 ILE 24 1HG1 ILE 24 -5.892 -1.394 -0.644 203 HG13 ILE 24 2HG1 ILE 24 -6.047 -2.924 -1.515 204 HG21 ILE 24 1HG2 ILE 24 -5.253 -1.839 1.911 205 HG22 ILE 24 2HG2 ILE 24 -3.801 -2.793 2.116 206 HG23 ILE 24 3HG2 ILE 24 -3.741 -1.287 1.174 207 HD11 ILE 24 3HD1 ILE 24 -7.859 -1.969 0.347 208 HD12 ILE 24 1HD1 ILE 24 -7.750 -3.645 -0.210 209 HD13 ILE 24 2HD1 ILE 24 -6.973 -3.134 1.301 210 H THR 25 H THR 25 -3.174 -5.689 -0.608 211 HA THR 25 HA THR 25 -3.050 -6.202 -3.473 212 HB THR 25 HB THR 25 -2.669 -8.494 -2.719 213 HG1 THR 25 1HG THR 25 -2.626 -8.976 -0.540 214 HG21 THR 25 3HG2 THR 25 -0.624 -8.084 -1.263 215 HG22 THR 25 1HG2 THR 25 -0.696 -7.145 -2.752 216 HG23 THR 25 2HG2 THR 25 -1.073 -6.382 -1.190 217 H ASN 26 H ASN 26 -4.354 -8.407 -4.160 218 HA ASN 26 HA ASN 26 -7.101 -7.608 -4.240 219 HB2 ASN 26 1HB ASN 26 -5.514 -9.630 -5.545 220 HB3 ASN 26 2HB ASN 26 -6.937 -10.405 -4.876 221 HD21 ASN 26 1HD2 ASN 26 -9.165 -9.109 -5.310 222 HD22 ASN 26 2HD2 ASN 26 -9.217 -8.380 -6.894 223 H HIS 27 H HIS 27 -5.369 -10.034 -2.253 224 HA HIS 27 HA HIS 27 -7.694 -11.125 -0.990 225 HB2 HIS 27 1HB HIS 27 -5.338 -12.031 -0.817 226 HB3 HIS 27 2HB HIS 27 -4.945 -10.665 0.219 227 HD1 HIS 27 1HD HIS 27 -6.752 -14.070 0.263 228 HD2 HIS 27 2HD HIS 27 -6.078 -10.690 2.743 229 HE1 HIS 27 1HE HIS 27 -7.305 -14.770 2.616 230 HE2 HIS 27 2HE HIS 27 -6.960 -12.691 4.149 231 H ALA 28 H ALA 28 -6.102 -8.002 -0.526 232 HA ALA 28 HA ALA 28 -7.254 -7.489 2.072 233 HB1 ALA 28 1HB ALA 28 -6.283 -5.537 -0.023 234 HB2 ALA 28 2HB ALA 28 -6.378 -5.288 1.724 235 HB3 ALA 28 3HB ALA 28 -5.191 -6.410 1.055 236 H GLN 29 H GLN 29 -7.997 -6.281 -1.264 237 HA GLN 29 HA GLN 29 -10.324 -4.906 -0.545 238 HB2 GLN 29 1HB GLN 29 -10.993 -4.870 -2.842 239 HB3 GLN 29 2HB GLN 29 -9.267 -4.624 -2.674 240 HG2 GLN 29 1HG GLN 29 -9.518 -5.805 -4.622 241 HG3 GLN 29 2HG GLN 29 -8.823 -6.867 -3.445 242 HE21 GLN 29 1HE2 GLN 29 -9.924 -8.903 -3.103 243 HE22 GLN 29 2HE2 GLN 29 -11.464 -9.215 -3.868 244 H GLU 30 H GLU 30 -9.957 -8.396 -1.088 245 HA GLU 30 HA GLU 30 -12.575 -9.014 -1.585 246 HB2 GLU 30 1HB GLU 30 -11.801 -11.066 -1.568 247 HB3 GLU 30 2HB GLU 30 -10.225 -10.337 -1.552 248 HG2 GLU 30 1HG GLU 30 -10.340 -10.697 0.983 249 HG3 GLU 30 2HG GLU 30 -11.796 -11.620 0.655 250 H GLN 31 H GLN 31 -10.953 -8.681 1.442 251 HA GLN 31 HA GLN 31 -13.280 -9.312 3.103 252 HB2 GLN 31 1HB GLN 31 -10.666 -8.015 3.969 253 HB3 GLN 31 2HB GLN 31 -11.882 -8.727 5.024 254 HG2 GLN 31 1HG GLN 31 -10.081 -10.168 3.058 255 HG3 GLN 31 2HG GLN 31 -10.027 -10.247 4.802 256 HE21 GLN 31 1HE2 GLN 31 -10.447 -12.518 2.720 257 HE22 GLN 31 2HE2 GLN 31 -11.854 -13.293 3.389 258 H LEU 32 H LEU 32 -12.004 -6.251 1.756 259 HA LEU 32 HA LEU 32 -13.554 -4.560 3.566 260 HB2 LEU 32 1HB LEU 32 -11.979 -4.161 1.007 261 HB3 LEU 32 2HB LEU 32 -13.040 -2.909 1.574 262 HG LEU 32 HG LEU 32 -10.527 -2.885 2.183 263 HD11 LEU 32 1HD1 LEU 32 -12.689 -2.297 4.272 264 HD12 LEU 32 2HD1 LEU 32 -11.045 -1.626 4.295 265 HD13 LEU 32 3HD1 LEU 32 -12.135 -1.214 2.984 266 HD21 LEU 32 3HD2 LEU 32 -11.449 -4.530 4.556 267 HD22 LEU 32 1HD2 LEU 32 -10.407 -5.123 3.231 268 HD23 LEU 32 2HD2 LEU 32 -9.844 -3.827 4.258 269 H GLY 33 H GLY 33 -13.867 -5.840 0.226 270 HA2 GLY 33 1HA GLY 33 -15.668 -6.069 -1.118 271 HA3 GLY 33 2HA GLY 33 -16.743 -5.557 0.209 272 H ASP 34 H ASP 34 -17.815 -4.325 -1.304 273 HA ASP 34 HA ASP 34 -17.020 -2.242 -2.986 274 HB2 ASP 34 1HB ASP 34 -19.484 -2.652 -1.245 275 HB3 ASP 34 2HB ASP 34 -19.313 -1.296 -2.346 276 H VAL 35 H VAL 35 -15.993 -0.289 -2.565 277 HA VAL 35 HA VAL 35 -16.093 0.681 0.221 278 HB VAL 35 HB VAL 35 -14.239 -0.440 -0.019 279 HG11 VAL 35 1HG1 VAL 35 -12.130 0.145 -0.825 280 HG12 VAL 35 2HG1 VAL 35 -13.215 -0.423 -2.000 281 HG13 VAL 35 3HG1 VAL 35 -12.888 1.343 -1.890 282 HG21 VAL 35 3HG2 VAL 35 -13.169 2.290 0.460 283 HG22 VAL 35 1HG2 VAL 35 -14.565 1.720 1.394 284 HG23 VAL 35 2HG2 VAL 35 -13.090 0.789 1.418 285 H VAL 36 H VAL 36 -15.589 2.783 0.588 286 HA VAL 36 HA VAL 36 -17.191 4.543 -1.149 287 HB VAL 36 HB VAL 36 -18.211 4.842 1.334 288 HG11 VAL 36 1HG1 VAL 36 -19.486 4.414 -0.748 289 HG12 VAL 36 2HG1 VAL 36 -19.096 2.684 -0.626 290 HG13 VAL 36 3HG1 VAL 36 -20.124 3.453 0.607 291 HG21 VAL 36 3HG2 VAL 36 -16.859 2.990 2.301 292 HG22 VAL 36 1HG2 VAL 36 -18.624 2.828 2.524 293 HG23 VAL 36 2HG2 VAL 36 -17.779 1.852 1.301 294 H TYR 37 H TYR 37 -14.770 4.066 1.354 295 HA TYR 37 HA TYR 37 -13.928 6.842 0.864 296 HB2 TYR 37 1HB TYR 37 -15.458 7.141 2.794 297 HB3 TYR 37 2HB TYR 37 -14.522 5.955 3.701 298 HD1 TYR 37 1HD TYR 37 -13.867 9.095 1.674 299 HD2 TYR 37 2HD TYR 37 -12.933 6.813 5.220 300 HE1 TYR 37 1HE TYR 37 -12.237 10.800 2.329 301 HE2 TYR 37 2HE TYR 37 -11.288 8.536 5.891 302 HH TYR 37 HH TYR 37 -10.644 11.433 3.876 303 H VAL 38 H VAL 38 -11.773 7.293 1.482 304 HA VAL 38 HA VAL 38 -10.026 5.224 2.537 305 HB VAL 38 HB VAL 38 -9.677 6.476 -0.210 306 HG11 VAL 38 1HG1 VAL 38 -8.003 4.322 1.115 307 HG12 VAL 38 2HG1 VAL 38 -7.701 5.091 -0.466 308 HG13 VAL 38 3HG1 VAL 38 -7.573 6.028 1.001 309 HG21 VAL 38 3HG2 VAL 38 -10.059 3.515 -0.006 310 HG22 VAL 38 1HG2 VAL 38 -11.417 4.604 -0.306 311 HG23 VAL 38 2HG2 VAL 38 -10.096 4.557 -1.424 312 H ASP 39 H ASP 39 -8.600 6.058 3.713 313 HA ASP 39 HA ASP 39 -8.507 8.921 3.978 314 HB2 ASP 39 1HB ASP 39 -8.487 7.833 6.152 315 HB3 ASP 39 2HB ASP 39 -7.558 6.520 5.529 316 H LEU 40 H LEU 40 -6.640 10.145 3.409 317 HA LEU 40 HA LEU 40 -4.464 8.689 2.060 318 HB2 LEU 40 1HB LEU 40 -5.706 11.220 1.000 319 HB3 LEU 40 2HB LEU 40 -4.367 10.345 0.306 320 HG LEU 40 HG LEU 40 -7.231 9.283 0.445 321 HD11 LEU 40 1HD1 LEU 40 -6.929 11.296 -0.957 322 HD12 LEU 40 2HD1 LEU 40 -5.667 10.451 -1.889 323 HD13 LEU 40 3HD1 LEU 40 -7.358 9.863 -1.894 324 HD21 LEU 40 3HD2 LEU 40 -5.780 7.370 0.240 325 HD22 LEU 40 1HD2 LEU 40 -6.398 7.707 -1.361 326 HD23 LEU 40 2HD2 LEU 40 -4.747 8.208 -0.966 327 HA PRO 41 HA PRO 41 -2.463 11.174 5.053 328 HB2 PRO 41 1HB PRO 41 0.169 10.760 4.292 329 HB3 PRO 41 2HB PRO 41 -0.885 9.682 5.256 330 HG2 PRO 41 1HG PRO 41 -0.091 9.402 2.382 331 HG3 PRO 41 2HG PRO 41 -0.511 8.151 3.611 332 HD2 PRO 41 1HD PRO 41 -2.229 9.151 1.598 333 HD3 PRO 41 2HD PRO 41 -2.682 8.202 3.044 334 H GLU 42 H GLU 42 -0.462 12.898 5.055 335 HA GLU 42 HA GLU 42 -1.048 14.951 3.054 336 HB2 GLU 42 1HB GLU 42 -0.735 15.467 5.473 337 HB3 GLU 42 2HB GLU 42 0.949 14.937 5.335 338 HG2 GLU 42 1HG GLU 42 1.192 16.643 3.446 339 HG3 GLU 42 2HG GLU 42 -0.394 17.253 3.934 340 H VAL 43 H VAL 43 0.340 15.448 1.393 341 HA VAL 43 HA VAL 43 2.047 13.554 0.292 342 HB VAL 43 HB VAL 43 0.570 15.688 -0.537 343 HG11 VAL 43 1HG1 VAL 43 2.434 17.288 0.163 344 HG12 VAL 43 2HG1 VAL 43 3.376 16.608 -1.193 345 HG13 VAL 43 3HG1 VAL 43 1.838 17.440 -1.500 346 HG21 VAL 43 3HG2 VAL 43 2.792 14.516 -2.197 347 HG22 VAL 43 1HG2 VAL 43 1.214 13.743 -1.906 348 HG23 VAL 43 2HG2 VAL 43 1.305 15.279 -2.783 349 H GLY 44 H GLY 44 3.078 14.760 2.887 350 HA2 GLY 44 1HA GLY 44 5.943 14.730 2.193 351 HA3 GLY 44 2HA GLY 44 5.377 16.213 2.963 352 H ARG 45 H ARG 45 3.585 13.427 3.961 353 HA ARG 45 HA ARG 45 4.411 13.972 6.678 354 HB2 ARG 45 1HB ARG 45 2.136 13.360 5.987 355 HB3 ARG 45 2HB ARG 45 2.655 11.759 5.496 356 HG2 ARG 45 1HG ARG 45 3.001 11.055 7.741 357 HG3 ARG 45 2HG ARG 45 3.113 12.730 8.340 358 HD2 ARG 45 1HD ARG 45 0.811 13.123 7.723 359 HD3 ARG 45 2HD ARG 45 0.567 11.540 7.119 360 HE ARG 45 HE ARG 45 0.173 10.795 9.183 361 HH11 ARG 45 2HH2 ARG 45 1.428 14.137 9.410 362 HH12 ARG 45 1HH2 ARG 45 1.430 14.186 11.128 363 HH21 ARG 45 2HH1 ARG 45 0.048 10.922 11.539 364 HH22 ARG 45 1HH1 ARG 45 0.474 12.400 12.335 365 H GLU 46 H GLU 46 5.842 12.759 8.036 366 HA GLU 46 HA GLU 46 7.378 10.634 6.717 367 HB2 GLU 46 1HB GLU 46 7.461 11.960 9.440 368 HB3 GLU 46 2HB GLU 46 8.460 10.595 8.949 369 HG2 GLU 46 1HG GLU 46 8.801 12.289 6.789 370 HG3 GLU 46 2HG GLU 46 8.496 13.435 8.013 371 H VAL 47 H VAL 47 7.466 8.521 7.504 372 HA VAL 47 HA VAL 47 5.371 7.595 9.346 373 HB VAL 47 HB VAL 47 4.336 6.170 7.701 374 HG11 VAL 47 1HG1 VAL 47 3.458 8.585 7.775 375 HG12 VAL 47 2HG1 VAL 47 4.468 8.945 6.391 376 HG13 VAL 47 3HG1 VAL 47 3.209 7.742 6.244 377 HG21 VAL 47 3HG2 VAL 47 4.873 6.160 5.333 378 HG22 VAL 47 1HG2 VAL 47 6.196 7.320 5.584 379 HG23 VAL 47 2HG2 VAL 47 6.301 5.677 6.257 380 H LYS 48 H LYS 48 5.575 4.914 9.254 381 HA LYS 48 HA LYS 48 8.439 4.206 9.330 382 HB2 LYS 48 1HB LYS 48 6.254 3.658 11.376 383 HB3 LYS 48 2HB LYS 48 7.731 2.729 11.247 384 HG2 LYS 48 1HG LYS 48 9.030 4.884 11.543 385 HG3 LYS 48 2HG LYS 48 7.483 5.665 11.947 386 HD2 LYS 48 1HD LYS 48 7.199 3.677 13.592 387 HD3 LYS 48 2HD LYS 48 8.926 3.389 13.348 388 HE2 LYS 48 1HE LYS 48 9.426 5.629 14.241 389 HE3 LYS 48 2HE LYS 48 7.693 5.988 14.363 390 HZ1 LYS 48 3HZ LYS 48 9.085 3.817 15.801 391 HZ2 LYS 48 1HZ LYS 48 8.574 5.212 16.495 392 HZ3 LYS 48 2HZ LYS 48 7.483 4.118 15.899 393 H LYS 49 H LYS 49 8.625 1.807 9.292 394 HA LYS 49 HA LYS 49 7.135 0.555 7.237 395 HB2 LYS 49 1HB LYS 49 8.588 -1.387 7.797 396 HB3 LYS 49 2HB LYS 49 9.505 0.117 7.936 397 HG2 LYS 49 1HG LYS 49 9.280 0.107 10.376 398 HG3 LYS 49 2HG LYS 49 8.257 -1.339 10.304 399 HD2 LYS 49 1HD LYS 49 10.114 -2.658 9.390 400 HD3 LYS 49 2HD LYS 49 11.160 -1.210 9.406 401 HE2 LYS 49 1HE LYS 49 10.807 -0.999 11.857 402 HE3 LYS 49 2HE LYS 49 9.783 -2.447 11.840 403 HZ1 LYS 49 3HZ LYS 49 12.637 -2.391 11.075 404 HZ2 LYS 49 1HZ LYS 49 12.044 -2.933 12.516 405 HZ3 LYS 49 2HZ LYS 49 11.677 -3.722 11.121 406 H GLY 50 H GLY 50 5.651 1.228 9.802 407 HA2 GLY 50 1HA GLY 50 3.690 -0.850 9.529 408 HA3 GLY 50 2HA GLY 50 4.503 -0.997 11.108 409 H GLU 51 H GLU 51 3.056 1.503 8.924 410 HA GLU 51 HA GLU 51 2.166 3.003 11.336 411 HB2 GLU 51 1HB GLU 51 4.402 3.695 10.159 412 HB3 GLU 51 2HB GLU 51 3.399 4.269 8.850 413 HG2 GLU 51 1HG GLU 51 3.729 6.168 10.119 414 HG3 GLU 51 2HG GLU 51 2.173 5.627 10.726 415 H VAL 52 H VAL 52 -0.036 3.314 11.124 416 HA VAL 52 HA VAL 52 -1.287 2.795 8.592 417 HB VAL 52 HB VAL 52 -2.314 1.602 10.137 418 HG11 VAL 52 1HG1 VAL 52 -2.172 3.832 12.114 419 HG12 VAL 52 2HG1 VAL 52 -3.133 2.333 12.326 420 HG13 VAL 52 3HG1 VAL 52 -1.374 2.240 12.171 421 HG21 VAL 52 3HG2 VAL 52 -3.935 2.970 8.825 422 HG22 VAL 52 1HG2 VAL 52 -4.587 2.558 10.418 423 HG23 VAL 52 2HG2 VAL 52 -3.970 4.163 10.131 424 H VAL 53 H VAL 53 -1.569 4.289 7.254 425 HA VAL 53 HA VAL 53 -1.996 7.125 8.058 426 HB VAL 53 HB VAL 53 -0.199 7.686 6.465 427 HG11 VAL 53 1HG1 VAL 53 1.681 7.216 7.851 428 HG12 VAL 53 2HG1 VAL 53 0.331 7.489 8.892 429 HG13 VAL 53 3HG1 VAL 53 0.898 5.830 8.611 430 HG21 VAL 53 3HG2 VAL 53 1.427 6.056 5.689 431 HG22 VAL 53 1HG2 VAL 53 0.478 4.743 6.397 432 HG23 VAL 53 2HG2 VAL 53 -0.159 5.707 5.059 433 H ALA 54 H ALA 54 -3.238 4.662 6.299 434 HA ALA 54 HA ALA 54 -4.279 6.361 4.159 435 HB1 ALA 54 1HB ALA 54 -2.210 5.635 3.181 436 HB2 ALA 54 2HB ALA 54 -2.416 3.968 3.762 437 HB3 ALA 54 3HB ALA 54 -3.466 4.584 2.485 438 H SER 55 H SER 55 -5.528 5.436 6.342 439 HA SER 55 HA SER 55 -6.535 2.777 6.464 440 HB2 SER 55 1HB SER 55 -7.421 5.504 7.461 441 HB3 SER 55 2HB SER 55 -8.392 4.100 7.797 442 HG SER 55 HG SER 55 -6.585 4.861 9.315 443 H ILE 56 H ILE 56 -8.824 2.172 6.205 444 HA ILE 56 HA ILE 56 -10.187 3.522 3.959 445 HB ILE 56 HB ILE 56 -10.011 0.520 3.953 446 HG12 ILE 56 1HG1 ILE 56 -7.929 2.133 2.547 447 HG13 ILE 56 2HG1 ILE 56 -7.590 1.143 3.976 448 HG21 ILE 56 1HG2 ILE 56 -11.649 1.821 2.582 449 HG22 ILE 56 2HG2 ILE 56 -10.328 2.690 1.840 450 HG23 ILE 56 3HG2 ILE 56 -10.546 0.944 1.512 451 HD11 ILE 56 3HD1 ILE 56 -8.254 -0.882 2.814 452 HD12 ILE 56 1HD1 ILE 56 -8.581 0.041 1.330 453 HD13 ILE 56 2HD1 ILE 56 -6.936 -0.043 1.983 454 H GLU 57 H GLU 57 -12.444 3.317 4.062 455 HA GLU 57 HA GLU 57 -13.619 1.710 6.240 456 HB2 GLU 57 1HB GLU 57 -13.937 4.666 5.674 457 HB3 GLU 57 2HB GLU 57 -15.308 3.740 6.302 458 HG2 GLU 57 1HG GLU 57 -13.931 2.928 8.186 459 HG3 GLU 57 2HG GLU 57 -12.550 3.879 7.602 460 H SER 58 H SER 58 -14.958 0.296 5.281 461 HA SER 58 HA SER 58 -15.996 0.853 2.549 462 HB2 SER 58 1HB SER 58 -15.926 -1.527 2.162 463 HB3 SER 58 2HB SER 58 -14.353 -1.012 2.757 464 HG SER 58 HG SER 58 -15.522 -2.934 3.647 465 H VAL 59 H VAL 59 -17.947 -1.082 2.357 466 HA VAL 59 HA VAL 59 -20.216 0.154 3.172 467 HB VAL 59 HB VAL 59 -21.246 -2.227 2.993 468 HG11 VAL 59 1HG1 VAL 59 -21.349 -0.539 1.242 469 HG12 VAL 59 2HG1 VAL 59 -19.729 -0.965 0.680 470 HG13 VAL 59 3HG1 VAL 59 -21.052 -2.142 0.543 471 HG21 VAL 59 3HG2 VAL 59 -18.490 -2.907 1.855 472 HG22 VAL 59 1HG2 VAL 59 -19.071 -3.474 3.433 473 HG23 VAL 59 2HG2 VAL 59 -19.907 -3.942 1.952 474 H LYS 60 H LYS 60 -18.484 -2.220 5.177 475 HA LYS 60 HA LYS 60 -18.821 -0.543 7.244 476 HB2 LYS 60 1HB LYS 60 -21.197 -1.533 7.511 477 HB3 LYS 60 2HB LYS 60 -20.436 -2.991 8.087 478 HG2 LYS 60 1HG LYS 60 -19.413 -0.479 9.347 479 HG3 LYS 60 2HG LYS 60 -21.140 -0.734 9.573 480 HD2 LYS 60 1HD LYS 60 -20.745 -2.874 10.636 481 HD3 LYS 60 2HD LYS 60 -19.005 -2.778 10.289 482 HE2 LYS 60 1HE LYS 60 -18.917 -0.631 11.625 483 HE3 LYS 60 2HE LYS 60 -20.593 -0.931 12.109 484 HZ1 LYS 60 3HZ LYS 60 -19.841 -3.066 13.005 485 HZ2 LYS 60 1HZ LYS 60 -18.288 -2.714 12.634 486 HZ3 LYS 60 2HZ LYS 60 -19.077 -1.810 13.754 487 H ALA 61 H ALA 61 -16.553 -1.137 6.560 488 HA ALA 61 HA ALA 61 -15.639 -2.644 8.861 489 HB1 ALA 61 1HB ALA 61 -14.320 -3.043 6.134 490 HB2 ALA 61 2HB ALA 61 -13.807 -3.743 7.671 491 HB3 ALA 61 3HB ALA 61 -15.339 -4.270 6.938 492 H ALA 62 H ALA 62 -13.360 -1.987 9.278 493 HA ALA 62 HA ALA 62 -12.460 0.408 7.799 494 HB1 ALA 62 1HB ALA 62 -11.286 1.210 9.791 495 HB2 ALA 62 2HB ALA 62 -13.033 1.160 10.048 496 HB3 ALA 62 3HB ALA 62 -11.992 -0.100 10.762 497 H ALA 63 H ALA 63 -10.130 0.366 7.412 498 HA ALA 63 HA ALA 63 -8.642 -2.077 8.186 499 HB1 ALA 63 1HB ALA 63 -9.745 -2.592 6.042 500 HB2 ALA 63 2HB ALA 63 -8.976 -1.168 5.294 501 HB3 ALA 63 3HB ALA 63 -7.979 -2.520 5.882 502 H ASP 64 H ASP 64 -7.050 -1.142 9.261 503 HA ASP 64 HA ASP 64 -5.725 1.313 8.700 504 HB2 ASP 64 1HB ASP 64 -4.856 -1.273 10.106 505 HB3 ASP 64 2HB ASP 64 -3.978 0.222 10.204 506 H VAL 65 H VAL 65 -4.576 1.605 6.674 507 HA VAL 65 HA VAL 65 -3.226 -0.670 5.436 508 HB VAL 65 HB VAL 65 -3.521 2.230 4.761 509 HG11 VAL 65 1HG1 VAL 65 -1.288 1.318 3.897 510 HG12 VAL 65 2HG1 VAL 65 -2.242 0.185 2.917 511 HG13 VAL 65 3HG1 VAL 65 -2.402 1.941 2.695 512 HG21 VAL 65 3HG2 VAL 65 -5.516 0.799 4.512 513 HG22 VAL 65 1HG2 VAL 65 -4.919 1.242 2.914 514 HG23 VAL 65 2HG2 VAL 65 -4.589 -0.374 3.570 515 H TYR 66 H TYR 66 -1.174 -1.241 6.385 516 HA TYR 66 HA TYR 66 0.140 0.784 8.122 517 HB2 TYR 66 1HB TYR 66 0.691 -2.200 7.904 518 HB3 TYR 66 2HB TYR 66 1.415 -1.072 9.041 519 HD1 TYR 66 1HD TYR 66 -0.006 -0.114 10.909 520 HD2 TYR 66 2HD TYR 66 -1.488 -3.063 8.160 521 HE1 TYR 66 1HE TYR 66 -1.799 -0.737 12.527 522 HE2 TYR 66 2HE TYR 66 -3.328 -3.615 9.697 523 HH TYR 66 HH TYR 66 -4.178 -3.338 11.837 524 H ALA 67 H ALA 67 1.464 1.950 6.894 525 HA ALA 67 HA ALA 67 2.644 1.609 4.505 526 HB1 ALA 67 1HB ALA 67 3.825 2.918 6.972 527 HB2 ALA 67 2HB ALA 67 4.505 3.140 5.366 528 HB3 ALA 67 3HB ALA 67 2.845 3.709 5.707 529 HA PRO 68 HA PRO 68 5.276 -1.758 4.825 530 HB2 PRO 68 1HB PRO 68 6.662 -1.694 2.504 531 HB3 PRO 68 2HB PRO 68 4.879 -1.774 2.530 532 HG2 PRO 68 1HG PRO 68 6.587 0.711 2.161 533 HG3 PRO 68 2HG PRO 68 5.204 0.145 1.172 534 HD2 PRO 68 1HD PRO 68 4.903 1.959 3.208 535 HD3 PRO 68 2HD PRO 68 3.647 0.769 2.789 536 H LEU 69 H LEU 69 7.064 1.281 4.345 537 HA LEU 69 HA LEU 69 9.542 0.216 5.596 538 HB2 LEU 69 1HB LEU 69 9.156 1.626 2.922 539 HB3 LEU 69 2HB LEU 69 10.648 1.793 3.837 540 HG LEU 69 HG LEU 69 10.961 0.350 2.059 541 HD11 LEU 69 1HD1 LEU 69 10.987 -1.211 4.667 542 HD12 LEU 69 2HD1 LEU 69 11.881 -1.634 3.202 543 HD13 LEU 69 3HD1 LEU 69 12.251 -0.116 4.020 544 HD21 LEU 69 3HD2 LEU 69 8.704 -0.545 1.711 545 HD22 LEU 69 1HD2 LEU 69 9.965 -1.799 1.773 546 HD23 LEU 69 2HD2 LEU 69 8.909 -1.581 3.150 547 H SER 70 H SER 70 10.626 1.904 6.782 548 HA SER 70 HA SER 70 9.175 4.325 7.401 549 HB2 SER 70 1HB SER 70 12.093 3.631 7.874 550 HB3 SER 70 2HB SER 70 11.138 4.852 8.727 551 HG SER 70 HG SER 70 11.454 2.670 9.697 552 H GLY 71 H GLY 71 9.538 6.412 6.627 553 HA2 GLY 71 1HA GLY 71 10.991 7.139 4.277 554 HA3 GLY 71 2HA GLY 71 9.526 6.257 3.864 555 H LYS 72 H LYS 72 9.375 8.541 2.940 556 HA LYS 72 HA LYS 72 7.487 9.956 4.772 557 HB2 LYS 72 1HB LYS 72 9.200 11.558 2.937 558 HB3 LYS 72 2HB LYS 72 8.132 12.102 4.198 559 HG2 LYS 72 1HG LYS 72 10.180 12.496 5.093 560 HG3 LYS 72 2HG LYS 72 9.887 10.867 5.761 561 HD2 LYS 72 1HD LYS 72 11.570 9.943 4.631 562 HD3 LYS 72 2HD LYS 72 11.334 10.932 3.185 563 HE2 LYS 72 1HE LYS 72 13.479 11.411 4.222 564 HE3 LYS 72 2HE LYS 72 12.436 12.838 4.219 565 HZ1 LYS 72 3HZ LYS 72 13.630 12.503 6.311 566 HZ2 LYS 72 1HZ LYS 72 12.028 12.524 6.564 567 HZ3 LYS 72 2HZ LYS 72 12.859 11.098 6.596 568 H ILE 73 H ILE 73 5.612 10.636 3.672 569 HA ILE 73 HA ILE 73 4.949 9.334 1.158 570 HB ILE 73 HB ILE 73 3.513 11.545 2.662 571 HG12 ILE 73 1HG1 ILE 73 3.545 9.957 4.356 572 HG13 ILE 73 2HG1 ILE 73 2.037 9.630 3.551 573 HG21 ILE 73 1HG2 ILE 73 2.380 9.447 0.751 574 HG22 ILE 73 2HG2 ILE 73 1.487 10.752 1.571 575 HG23 ILE 73 3HG2 ILE 73 2.670 11.155 0.359 576 HD11 ILE 73 3HD1 ILE 73 3.431 7.833 2.234 577 HD12 ILE 73 1HD1 ILE 73 4.568 7.997 3.573 578 HD13 ILE 73 2HD1 ILE 73 2.898 7.497 3.895 579 H VAL 74 H VAL 74 4.753 10.420 -0.902 580 HA VAL 74 HA VAL 74 5.347 13.295 -0.980 581 HB VAL 74 HB VAL 74 7.024 13.005 -2.762 582 HG11 VAL 74 1HG1 VAL 74 7.829 13.269 -0.432 583 HG12 VAL 74 2HG1 VAL 74 7.991 11.510 -0.298 584 HG13 VAL 74 3HG1 VAL 74 8.969 12.412 -1.472 585 HG21 VAL 74 3HG2 VAL 74 7.014 10.025 -2.132 586 HG22 VAL 74 1HG2 VAL 74 6.430 10.782 -3.631 587 HG23 VAL 74 2HG2 VAL 74 8.140 10.872 -3.210 588 H GLU 75 H GLU 75 3.449 10.621 -2.020 589 HA GLU 75 HA GLU 75 2.123 12.466 -3.821 590 HB2 GLU 75 1HB GLU 75 3.972 10.463 -4.803 591 HB3 GLU 75 2HB GLU 75 2.332 9.910 -5.147 592 HG2 GLU 75 1HG GLU 75 1.916 11.645 -6.620 593 HG3 GLU 75 2HG GLU 75 3.034 12.750 -5.822 594 H VAL 76 H VAL 76 -0.143 11.755 -4.126 595 HA VAL 76 HA VAL 76 -1.063 9.528 -2.394 596 HB VAL 76 HB VAL 76 -2.707 11.022 -1.351 597 HG11 VAL 76 1HG1 VAL 76 -0.629 10.689 -0.082 598 HG12 VAL 76 2HG1 VAL 76 0.135 12.072 -0.887 599 HG13 VAL 76 3HG1 VAL 76 -1.236 12.332 0.168 600 HG21 VAL 76 3HG2 VAL 76 -1.265 13.283 -2.805 601 HG22 VAL 76 1HG2 VAL 76 -2.933 12.726 -3.070 602 HG23 VAL 76 2HG2 VAL 76 -2.495 13.497 -1.543 603 H ASN 77 H ASN 77 -3.181 8.721 -3.151 604 HA ASN 77 HA ASN 77 -3.651 9.471 -5.969 605 HB2 ASN 77 1HB ASN 77 -3.216 7.092 -5.172 606 HB3 ASN 77 2HB ASN 77 -4.806 7.098 -4.473 607 HD21 ASN 77 1HD2 ASN 77 -5.228 5.362 -5.934 608 HD22 ASN 77 2HD2 ASN 77 -5.629 5.541 -7.600 609 H GLU 78 H GLU 78 -4.704 11.539 -5.282 610 HA GLU 78 HA GLU 78 -6.993 11.639 -3.667 611 HB2 GLU 78 1HB GLU 78 -5.685 13.449 -5.623 612 HB3 GLU 78 2HB GLU 78 -7.426 13.694 -5.433 613 HG2 GLU 78 1HG GLU 78 -7.039 13.750 -2.904 614 HG3 GLU 78 2HG GLU 78 -5.310 13.812 -3.254 615 H LYS 79 H LYS 79 -6.798 10.169 -6.629 616 HA LYS 79 HA LYS 79 -9.417 10.440 -7.771 617 HB2 LYS 79 1HB LYS 79 -7.159 8.425 -7.827 618 HB3 LYS 79 2HB LYS 79 -8.713 7.871 -8.359 619 HG2 LYS 79 1HG LYS 79 -8.844 9.888 -9.907 620 HG3 LYS 79 2HG LYS 79 -7.168 10.243 -9.477 621 HD2 LYS 79 1HD LYS 79 -8.109 7.577 -10.584 622 HD3 LYS 79 2HD LYS 79 -7.614 8.897 -11.633 623 HE2 LYS 79 1HE LYS 79 -5.835 7.519 -9.571 624 HE3 LYS 79 2HE LYS 79 -5.859 7.179 -11.297 625 HZ1 LYS 79 3HZ LYS 79 -4.632 9.351 -9.899 626 HZ2 LYS 79 1HZ LYS 79 -4.255 8.665 -11.353 627 HZ3 LYS 79 2HZ LYS 79 -5.410 9.805 -11.293 628 H LEU 80 H LEU 80 -8.156 8.565 -5.056 629 HA LEU 80 HA LEU 80 -10.381 6.779 -4.834 630 HB2 LEU 80 1HB LEU 80 -8.222 7.573 -2.872 631 HB3 LEU 80 2HB LEU 80 -9.397 6.337 -2.541 632 HG LEU 80 HG LEU 80 -6.902 5.917 -3.654 633 HD11 LEU 80 1HD1 LEU 80 -7.606 3.600 -3.933 634 HD12 LEU 80 2HD1 LEU 80 -8.181 4.292 -2.439 635 HD13 LEU 80 3HD1 LEU 80 -9.316 4.073 -3.805 636 HD21 LEU 80 3HD2 LEU 80 -7.579 6.553 -5.949 637 HD22 LEU 80 1HD2 LEU 80 -7.344 4.811 -5.843 638 HD23 LEU 80 2HD2 LEU 80 -8.963 5.459 -5.836 639 H ASP 81 H ASP 81 -10.269 10.101 -4.106 640 HA ASP 81 HA ASP 81 -12.283 10.379 -2.107 641 HB2 ASP 81 1HB ASP 81 -10.746 12.120 -3.150 642 HB3 ASP 81 2HB ASP 81 -11.717 12.022 -4.597 643 H THR 82 H THR 82 -12.372 9.602 -5.511 644 HA THR 82 HA THR 82 -15.354 9.760 -5.662 645 HB THR 82 HB THR 82 -14.819 10.343 -8.098 646 HG1 THR 82 1HG THR 82 -12.468 9.727 -7.730 647 HG21 THR 82 3HG2 THR 82 -15.553 12.009 -6.409 648 HG22 THR 82 1HG2 THR 82 -13.858 12.274 -5.937 649 HG23 THR 82 2HG2 THR 82 -14.408 12.709 -7.570 650 H GLU 83 H GLU 83 -12.471 7.871 -6.380 651 HA GLU 83 HA GLU 83 -14.165 5.563 -7.180 652 HB2 GLU 83 1HB GLU 83 -11.607 6.728 -8.244 653 HB3 GLU 83 2HB GLU 83 -11.925 5.005 -8.458 654 HG2 GLU 83 1HG GLU 83 -13.472 5.199 -9.973 655 HG3 GLU 83 2HG GLU 83 -14.085 6.786 -9.409 656 HA PRO 84 HA PRO 84 -11.504 4.792 -3.378 657 HB2 PRO 84 1HB PRO 84 -13.545 4.080 -1.640 658 HB3 PRO 84 2HB PRO 84 -12.907 5.728 -1.799 659 HG2 PRO 84 1HG PRO 84 -15.445 4.593 -2.912 660 HG3 PRO 84 2HG PRO 84 -15.092 6.258 -2.378 661 HD2 PRO 84 1HD PRO 84 -15.156 5.340 -5.034 662 HD3 PRO 84 2HD PRO 84 -14.333 6.825 -4.490 663 H GLU 85 H GLU 85 -14.567 3.166 -4.230 664 HA GLU 85 HA GLU 85 -14.058 0.501 -3.612 665 HB2 GLU 85 1HB GLU 85 -15.634 0.193 -5.763 666 HB3 GLU 85 2HB GLU 85 -16.246 0.759 -4.234 667 HG2 GLU 85 1HG GLU 85 -16.524 2.986 -4.986 668 HG3 GLU 85 2HG GLU 85 -15.338 2.802 -6.261 669 H LEU 86 H LEU 86 -12.362 2.393 -6.246 670 HA LEU 86 HA LEU 86 -11.911 0.438 -8.095 671 HB2 LEU 86 1HB LEU 86 -11.152 3.061 -7.661 672 HB3 LEU 86 2HB LEU 86 -9.675 2.281 -7.275 673 HG LEU 86 HG LEU 86 -9.555 2.962 -9.531 674 HD11 LEU 86 1HD1 LEU 86 -8.716 0.662 -9.050 675 HD12 LEU 86 2HD1 LEU 86 -10.312 0.029 -9.392 676 HD13 LEU 86 3HD1 LEU 86 -9.356 0.712 -10.711 677 HD21 LEU 86 3HD2 LEU 86 -11.829 3.309 -10.123 678 HD22 LEU 86 1HD2 LEU 86 -10.923 2.377 -11.316 679 HD23 LEU 86 2HD2 LEU 86 -12.109 1.558 -10.248 680 H ILE 87 H ILE 87 -10.646 0.815 -4.837 681 HA ILE 87 HA ILE 87 -8.375 -0.858 -4.884 682 HB ILE 87 HB ILE 87 -10.570 -0.251 -2.875 683 HG12 ILE 87 1HG1 ILE 87 -7.612 0.570 -2.974 684 HG13 ILE 87 2HG1 ILE 87 -8.917 1.542 -3.652 685 HG21 ILE 87 1HG2 ILE 87 -9.679 -2.448 -2.269 686 HG22 ILE 87 2HG2 ILE 87 -8.013 -1.794 -2.378 687 HG23 ILE 87 3HG2 ILE 87 -9.175 -1.215 -1.134 688 HD11 ILE 87 3HD1 ILE 87 -8.379 2.417 -1.475 689 HD12 ILE 87 1HD1 ILE 87 -9.993 1.693 -1.419 690 HD13 ILE 87 2HD1 ILE 87 -8.589 0.847 -0.722 691 H ASN 88 H ASN 88 -11.811 -1.752 -5.260 692 HA ASN 88 HA ASN 88 -11.407 -4.643 -5.065 693 HB2 ASN 88 1HB ASN 88 -13.576 -2.912 -6.297 694 HB3 ASN 88 2HB ASN 88 -13.616 -4.674 -6.218 695 HD21 ASN 88 1HD2 ASN 88 -13.328 -1.897 -3.978 696 HD22 ASN 88 2HD2 ASN 88 -14.124 -2.753 -2.612 697 H LYS 89 H LYS 89 -11.877 -2.231 -7.560 698 HA LYS 89 HA LYS 89 -12.186 -4.015 -9.730 699 HB2 LYS 89 1HB LYS 89 -12.665 -1.326 -9.147 700 HB3 LYS 89 2HB LYS 89 -11.458 -1.254 -10.429 701 HG2 LYS 89 1HG LYS 89 -13.820 -3.058 -10.811 702 HG3 LYS 89 2HG LYS 89 -14.057 -1.313 -10.884 703 HD2 LYS 89 1HD LYS 89 -12.314 -1.049 -12.578 704 HD3 LYS 89 2HD LYS 89 -11.923 -2.772 -12.484 705 HE2 LYS 89 1HE LYS 89 -14.252 -3.287 -13.237 706 HE3 LYS 89 2HE LYS 89 -14.559 -1.545 -13.430 707 HZ1 LYS 89 3HZ LYS 89 -12.394 -3.042 -14.765 708 HZ2 LYS 89 1HZ LYS 89 -13.800 -2.750 -15.488 709 HZ3 LYS 89 2HZ LYS 89 -12.827 -1.472 -15.095 710 H ASP 90 H ASP 90 -9.354 -2.139 -8.563 711 HA ASP 90 HA ASP 90 -7.575 -3.848 -10.098 712 HB2 ASP 90 1HB ASP 90 -8.473 -1.824 -11.602 713 HB3 ASP 90 2HB ASP 90 -7.290 -0.905 -10.734 714 HA PRO 91 HA PRO 91 -6.407 -2.066 -5.938 715 HB2 PRO 91 1HB PRO 91 -5.191 -4.499 -5.022 716 HB3 PRO 91 2HB PRO 91 -6.808 -3.918 -4.612 717 HG2 PRO 91 1HG PRO 91 -5.910 -5.902 -6.681 718 HG3 PRO 91 2HG PRO 91 -7.444 -5.895 -5.739 719 HD2 PRO 91 1HD PRO 91 -7.319 -5.178 -8.361 720 HD3 PRO 91 2HD PRO 91 -8.439 -4.383 -7.229 721 H GLU 92 H GLU 92 -4.505 -3.749 -8.371 722 HA GLU 92 HA GLU 92 -2.081 -2.418 -7.326 723 HB2 GLU 92 1HB GLU 92 -1.749 -4.932 -8.836 724 HB3 GLU 92 2HB GLU 92 -0.735 -4.165 -7.627 725 HG2 GLU 92 1HG GLU 92 -2.501 -4.912 -5.897 726 HG3 GLU 92 2HG GLU 92 -3.129 -5.945 -7.165 727 H GLY 93 H GLY 93 -4.236 -1.693 -9.353 728 HA2 GLY 93 1HA GLY 93 -2.307 -0.852 -11.479 729 HA3 GLY 93 2HA GLY 93 -3.963 -1.299 -11.868 730 H GLU 94 H GLU 94 -5.675 0.193 -11.322 731 HA GLU 94 HA GLU 94 -4.803 2.945 -10.833 732 HB2 GLU 94 1HB GLU 94 -7.547 1.805 -11.232 733 HB3 GLU 94 2HB GLU 94 -7.166 3.522 -11.115 734 HG2 GLU 94 1HG GLU 94 -6.176 1.592 -13.248 735 HG3 GLU 94 2HG GLU 94 -7.457 2.773 -13.444 736 H GLY 95 H GLY 95 -6.315 0.455 -8.755 737 HA2 GLY 95 1HA GLY 95 -7.247 2.329 -6.746 738 HA3 GLY 95 2HA GLY 95 -7.153 0.644 -6.653 739 H TRP 96 H TRP 96 -4.335 2.855 -7.115 740 HA TRP 96 HA TRP 96 -2.991 1.651 -4.777 741 HB2 TRP 96 1HB TRP 96 -1.196 3.253 -5.166 742 HB3 TRP 96 2HB TRP 96 -1.491 2.275 -6.567 743 HD1 TRP 96 HD TRP 96 -3.024 3.576 -8.571 744 HE1 TRP 96 1HE TRP 96 -2.871 5.940 -9.402 745 HE3 TRP 96 3HE TRP 96 -0.560 5.666 -4.574 746 HZ2 TRP 96 2HZ TRP 96 -1.799 8.478 -8.472 747 HZ3 TRP 96 3HZ TRP 96 -0.088 8.166 -4.570 748 HH2 TRP 96 HH TRP 96 -0.622 9.505 -6.554 749 H LEU 97 H LEU 97 -2.171 3.197 -3.062 750 HA LEU 97 HA LEU 97 -4.453 4.958 -2.245 751 HB2 LEU 97 1HB LEU 97 -2.406 3.598 -0.474 752 HB3 LEU 97 2HB LEU 97 -3.847 4.505 0.004 753 HG LEU 97 HG LEU 97 -4.445 2.150 -1.717 754 HD11 LEU 97 1HD1 LEU 97 -3.977 0.440 -0.255 755 HD12 LEU 97 2HD1 LEU 97 -2.467 1.394 -0.188 756 HD13 LEU 97 3HD1 LEU 97 -3.663 1.513 1.101 757 HD21 LEU 97 3HD2 LEU 97 -6.154 1.758 0.057 758 HD22 LEU 97 1HD2 LEU 97 -5.432 2.993 1.088 759 HD23 LEU 97 2HD2 LEU 97 -6.190 3.448 -0.466 760 H PHE 98 H PHE 98 -0.835 4.634 -1.779 761 HA PHE 98 HA PHE 98 -0.511 7.477 -2.373 762 HB2 PHE 98 1HB PHE 98 0.545 8.003 -0.271 763 HB3 PHE 98 2HB PHE 98 -1.074 7.439 0.035 764 HD1 PHE 98 1HD PHE 98 -1.425 5.083 0.954 765 HD2 PHE 98 2HD PHE 98 2.467 6.854 0.587 766 HE1 PHE 98 1HE PHE 98 -0.522 3.431 2.582 767 HE2 PHE 98 2HE PHE 98 3.322 5.305 2.337 768 HZ PHE 98 HZ PHE 98 1.838 3.567 3.306 769 H LYS 99 H LYS 99 1.926 8.041 -2.106 770 HA LYS 99 HA LYS 99 3.690 5.763 -2.710 771 HB2 LYS 99 1HB LYS 99 3.528 8.317 -4.344 772 HB3 LYS 99 2HB LYS 99 4.797 7.167 -4.469 773 HG2 LYS 99 1HG LYS 99 3.541 5.554 -5.511 774 HG3 LYS 99 2HG LYS 99 2.010 6.138 -4.849 775 HD2 LYS 99 1HD LYS 99 1.811 6.573 -7.061 776 HD3 LYS 99 2HD LYS 99 2.295 8.142 -6.428 777 HE2 LYS 99 1HE LYS 99 4.677 7.585 -7.116 778 HE3 LYS 99 2HE LYS 99 4.053 6.077 -7.837 779 HZ1 LYS 99 3HZ LYS 99 4.113 7.780 -9.531 780 HZ2 LYS 99 1HZ LYS 99 2.533 7.553 -9.137 781 HZ3 LYS 99 2HZ LYS 99 3.359 8.854 -8.554 782 H MET 100 H MET 100 5.895 6.219 -2.196 783 HA MET 100 HA MET 100 6.349 8.548 -0.422 784 HB2 MET 100 1HB MET 100 7.222 6.641 1.182 785 HB3 MET 100 2HB MET 100 5.562 7.210 1.245 786 HG2 MET 100 1HG MET 100 4.715 5.329 0.046 787 HG3 MET 100 2HG MET 100 6.301 4.748 -0.373 788 HE1 MET 100 3HE MET 100 6.146 6.029 3.289 789 HE2 MET 100 1HE MET 100 6.547 4.492 4.070 790 HE3 MET 100 2HE MET 100 7.628 5.163 2.825 791 H GLU 101 H GLU 101 8.457 8.985 0.015 792 HA GLU 101 HA GLU 101 10.622 8.188 -1.730 793 HB2 GLU 101 1HB GLU 101 10.463 10.404 -0.564 794 HB3 GLU 101 2HB GLU 101 10.488 9.576 0.996 795 HG2 GLU 101 1HG GLU 101 12.787 8.617 0.251 796 HG3 GLU 101 2HG GLU 101 12.743 9.824 -1.025 797 H ILE 102 H ILE 102 11.873 6.314 -1.435 798 HA ILE 102 HA ILE 102 11.458 4.786 1.049 799 HB ILE 102 HB ILE 102 13.103 3.202 -0.078 800 HG12 ILE 102 1HG1 ILE 102 12.131 4.367 -2.689 801 HG13 ILE 102 2HG1 ILE 102 13.621 4.983 -1.974 802 HG21 ILE 102 1HG2 ILE 102 10.691 2.716 0.159 803 HG22 ILE 102 2HG2 ILE 102 10.372 3.583 -1.362 804 HG23 ILE 102 3HG2 ILE 102 11.310 2.077 -1.383 805 HD11 ILE 102 3HD1 ILE 102 13.273 2.029 -2.539 806 HD12 ILE 102 1HD1 ILE 102 13.925 3.195 -3.723 807 HD13 ILE 102 2HD1 ILE 102 14.746 2.957 -2.174 808 H SER 103 H SER 103 12.397 5.891 2.559 809 HA SER 103 HA SER 103 15.058 7.013 2.319 810 HB2 SER 103 1HB SER 103 13.316 6.661 4.782 811 HB3 SER 103 2HB SER 103 14.655 7.788 4.584 812 HG SER 103 HG SER 103 13.401 8.893 2.954 813 H ASP 104 H ASP 104 13.991 3.856 3.032 814 HA ASP 104 HA ASP 104 16.728 3.047 3.846 815 HB2 ASP 104 1HB ASP 104 14.169 2.419 5.262 816 HB3 ASP 104 2HB ASP 104 15.289 1.092 5.009 817 H GLU 105 H GLU 105 17.117 2.388 1.746 818 HA GLU 105 HA GLU 105 15.127 0.644 0.417 819 HB2 GLU 105 1HB GLU 105 15.976 1.321 -1.486 820 HB3 GLU 105 2HB GLU 105 16.946 2.477 -0.583 821 HG2 GLU 105 1HG GLU 105 18.832 0.884 -0.582 822 HG3 GLU 105 2HG GLU 105 17.866 -0.287 -1.471 823 H GLY 106 H GLY 106 17.295 0.337 2.795 824 HA2 GLY 106 1HA GLY 106 18.612 -2.213 2.142 825 HA3 GLY 106 2HA GLY 106 18.519 -1.449 3.739 826 H GLU 107 H GLU 107 16.041 -1.167 4.327 827 HA GLU 107 HA GLU 107 15.218 -3.630 5.295 828 HB2 GLU 107 1HB GLU 107 14.038 -0.869 5.113 829 HB3 GLU 107 2HB GLU 107 12.953 -2.175 5.597 830 HG2 GLU 107 1HG GLU 107 14.051 -0.894 7.466 831 HG3 GLU 107 2HG GLU 107 14.103 -2.634 7.539 832 H LEU 108 H LEU 108 14.278 -2.319 2.120 833 HA LEU 108 HA LEU 108 12.077 -3.690 1.400 834 HB2 LEU 108 1HB LEU 108 14.616 -3.715 -0.169 835 HB3 LEU 108 2HB LEU 108 12.987 -3.970 -0.769 836 HG LEU 108 HG LEU 108 14.274 -1.405 0.049 837 HD11 LEU 108 1HD1 LEU 108 12.649 -2.142 -2.405 838 HD12 LEU 108 2HD1 LEU 108 13.652 -0.683 -2.166 839 HD13 LEU 108 3HD1 LEU 108 14.416 -2.275 -2.318 840 HD21 LEU 108 3HD2 LEU 108 12.134 -0.237 -0.306 841 HD22 LEU 108 1HD2 LEU 108 11.312 -1.824 -0.329 842 HD23 LEU 108 2HD2 LEU 108 12.187 -1.258 1.118 843 H GLU 109 H GLU 109 15.323 -5.151 2.042 844 HA GLU 109 HA GLU 109 14.477 -7.725 1.014 845 HB2 GLU 109 1HB GLU 109 16.908 -6.921 2.654 846 HB3 GLU 109 2HB GLU 109 16.665 -8.502 1.894 847 HG2 GLU 109 1HG GLU 109 16.869 -5.817 0.461 848 HG3 GLU 109 2HG GLU 109 18.136 -7.028 0.539 849 H ASP 110 H ASP 110 13.850 -6.147 3.986 850 HA ASP 110 HA ASP 110 13.526 -8.519 5.635 851 HB2 ASP 110 1HB ASP 110 12.048 -5.869 5.936 852 HB3 ASP 110 2HB ASP 110 12.228 -7.132 7.130 853 H LEU 111 H LEU 111 11.579 -6.636 3.299 854 HA LEU 111 HA LEU 111 8.958 -7.760 3.951 855 HB2 LEU 111 1HB LEU 111 10.096 -6.424 1.475 856 HB3 LEU 111 2HB LEU 111 8.403 -6.748 1.712 857 HG LEU 111 HG LEU 111 9.118 -4.418 1.884 858 HD11 LEU 111 1HD1 LEU 111 7.870 -5.535 4.442 859 HD12 LEU 111 2HD1 LEU 111 7.745 -3.848 3.894 860 HD13 LEU 111 3HD1 LEU 111 6.981 -5.147 2.951 861 HD21 LEU 111 3HD2 LEU 111 10.313 -3.460 3.488 862 HD22 LEU 111 1HD2 LEU 111 10.472 -4.977 4.410 863 HD23 LEU 111 2HD2 LEU 111 11.122 -4.843 2.739 864 H LEU 112 H LEU 112 7.761 -8.844 2.166 865 HA LEU 112 HA LEU 112 9.159 -11.340 1.562 866 HB2 LEU 112 1HB LEU 112 6.358 -10.293 1.038 867 HB3 LEU 112 2HB LEU 112 6.868 -11.930 0.666 868 HG LEU 112 HG LEU 112 7.095 -10.781 3.493 869 HD11 LEU 112 1HD1 LEU 112 4.882 -10.510 2.940 870 HD12 LEU 112 2HD1 LEU 112 4.767 -12.102 2.124 871 HD13 LEU 112 3HD1 LEU 112 4.954 -12.018 3.891 872 HD21 LEU 112 3HD2 LEU 112 8.397 -12.880 3.026 873 HD22 LEU 112 1HD2 LEU 112 7.080 -13.155 4.157 874 HD23 LEU 112 2HD2 LEU 112 6.901 -13.661 2.468 875 H ASP 113 H ASP 113 10.107 -11.795 -0.344 876 HA ASP 113 HA ASP 113 10.002 -10.207 -2.773 877 HB2 ASP 113 1HB ASP 113 10.433 -13.206 -2.183 878 HB3 ASP 113 2HB ASP 113 10.402 -12.611 -3.822 879 H GLU 114 H GLU 114 8.930 -11.308 -4.715 880 HA GLU 114 HA GLU 114 6.055 -11.333 -4.395 881 HB2 GLU 114 1HB GLU 114 7.331 -10.309 -6.257 882 HB3 GLU 114 2HB GLU 114 7.969 -11.890 -6.680 883 HG2 GLU 114 1HG GLU 114 5.659 -12.649 -7.259 884 HG3 GLU 114 2HG GLU 114 5.073 -10.995 -6.926 885 H GLN 115 H GLN 115 8.559 -13.854 -5.048 886 HA GLN 115 HA GLN 115 6.719 -16.033 -5.207 887 HB2 GLN 115 1HB GLN 115 8.863 -16.396 -6.095 888 HB3 GLN 115 2HB GLN 115 9.668 -15.582 -4.763 889 HG2 GLN 115 1HG GLN 115 10.198 -17.907 -4.747 890 HG3 GLN 115 2HG GLN 115 9.342 -17.427 -3.288 891 HE21 GLN 115 1HE2 GLN 115 9.035 -19.773 -3.023 892 HE22 GLN 115 2HE2 GLN 115 7.726 -20.597 -3.824 893 H ALA 116 H ALA 116 8.563 -14.493 -2.547 894 HA ALA 116 HA ALA 116 7.831 -16.310 -0.488 895 HB1 ALA 116 1HB ALA 116 8.441 -13.344 -0.190 896 HB2 ALA 116 2HB ALA 116 8.669 -14.616 1.020 897 HB3 ALA 116 3HB ALA 116 9.685 -14.568 -0.438 898 H TYR 117 H TYR 117 6.315 -13.334 -1.710 899 HA TYR 117 HA TYR 117 4.233 -13.021 0.173 900 HB2 TYR 117 1HB TYR 117 4.810 -11.250 -1.253 901 HB3 TYR 117 2HB TYR 117 4.754 -12.237 -2.691 902 HD1 TYR 117 2HD TYR 117 2.471 -10.969 -0.012 903 HD2 TYR 117 1HD TYR 117 2.964 -12.089 -4.141 904 HE1 TYR 117 2HE TYR 117 0.202 -10.153 -0.453 905 HE2 TYR 117 1HE TYR 117 0.716 -11.235 -4.642 906 HH TYR 117 HH TYR 117 -1.034 -9.991 -3.859 907 H GLN 118 H GLN 118 4.308 -14.861 -2.917 908 HA GLN 118 HA GLN 118 1.670 -15.893 -2.785 909 HB2 GLN 118 1HB GLN 118 2.398 -16.554 -4.755 910 HB3 GLN 118 2HB GLN 118 4.084 -16.325 -4.342 911 HG2 GLN 118 1HG GLN 118 4.325 -18.591 -3.568 912 HG3 GLN 118 2HG GLN 118 2.573 -18.858 -3.620 913 HE21 GLN 118 1HE2 GLN 118 5.525 -18.536 -5.644 914 HE22 GLN 118 2HE2 GLN 118 4.715 -19.007 -7.126 915 H GLU 119 H GLU 119 4.710 -17.217 -1.410 916 HA GLU 119 HA GLU 119 3.470 -19.467 -0.221 917 HB2 GLU 119 1HB GLU 119 6.099 -18.343 -0.391 918 HB3 GLU 119 2HB GLU 119 5.780 -18.577 1.314 919 HG2 GLU 119 1HG GLU 119 5.576 -20.687 -0.846 920 HG3 GLU 119 2HG GLU 119 6.882 -20.514 0.317 921 H PHE 120 H PHE 120 3.733 -16.119 0.965 922 HA PHE 120 HA PHE 120 2.853 -16.747 3.671 923 HB2 PHE 120 1HB PHE 120 4.115 -14.657 2.875 924 HB3 PHE 120 2HB PHE 120 2.564 -14.075 2.270 925 HD1 PHE 120 2HD PHE 120 4.197 -15.491 5.359 926 HD2 PHE 120 1HD PHE 120 1.091 -12.925 3.822 927 HE1 PHE 120 2HE PHE 120 3.672 -14.748 7.643 928 HE2 PHE 120 1HE PHE 120 0.663 -12.088 6.114 929 HZ PHE 120 HZ PHE 120 1.947 -12.977 8.030 930 H CYS 121 H CYS 121 1.240 -15.974 0.584 931 HA CYS 121 HA CYS 121 -1.413 -15.809 1.683 932 HB2 CYS 121 1HB CYS 121 -0.512 -15.176 -0.737 933 HB3 CYS 121 2HB CYS 121 -0.881 -16.868 -1.104 934 HG CYS 121 HG CYS 121 -2.962 -15.558 -1.898 935 H ALA 122 H ALA 122 0.604 -18.499 0.444 936 HA ALA 122 HA ALA 122 -1.381 -20.516 0.536 937 HB1 ALA 122 1HB ALA 122 1.616 -20.874 0.967 938 HB2 ALA 122 2HB ALA 122 0.455 -22.108 0.461 939 HB3 ALA 122 3HB ALA 122 0.799 -20.741 -0.616 940 H GLN 123 H GLN 123 0.427 -19.063 3.157 941 HA GLN 123 HA GLN 123 -0.507 -21.079 5.135 942 HB2 GLN 123 1HB GLN 123 1.609 -18.900 5.102 943 HB3 GLN 123 2HB GLN 123 1.142 -19.708 6.592 944 HG2 GLN 123 1HG GLN 123 1.946 -21.474 4.278 945 HG3 GLN 123 2HG GLN 123 3.193 -20.538 5.094 946 HE21 GLN 123 1HE2 GLN 123 1.081 -23.361 5.431 947 HE22 GLN 123 2HE2 GLN 123 1.705 -23.812 6.997 948 H GLU 124 H GLU 124 -1.939 -18.443 3.747 949 HA GLU 124 HA GLU 124 -2.527 -16.771 6.017 950 HB2 GLU 124 1HB GLU 124 -2.616 -16.126 3.547 951 HB3 GLU 124 2HB GLU 124 -4.075 -17.109 3.428 952 HG2 GLU 124 1HG GLU 124 -5.132 -15.167 3.801 953 HG3 GLU 124 2HG GLU 124 -4.807 -15.469 5.494 Start of MODEL 3 1 H1 MET 1 H MET 1 18.229 -0.003 -9.775 2 HA MET 1 HA MET 1 16.283 1.269 -8.953 3 HB2 MET 1 1HB MET 1 18.164 2.224 -10.369 4 HB3 MET 1 2HB MET 1 17.091 2.114 -11.754 5 HG2 MET 1 1HG MET 1 15.513 3.612 -10.716 6 HG3 MET 1 2HG MET 1 16.375 3.563 -9.176 7 HE1 MET 1 3HE MET 1 19.365 5.910 -9.577 8 HE2 MET 1 1HE MET 1 18.281 5.039 -8.475 9 HE3 MET 1 2HE MET 1 19.377 4.135 -9.548 10 H LYS 2 H LYS 2 14.686 -0.462 -8.983 11 HA LYS 2 HA LYS 2 12.244 0.079 -9.454 12 HB2 LYS 2 1HB LYS 2 13.161 -1.121 -12.082 13 HB3 LYS 2 2HB LYS 2 11.631 -1.623 -11.391 14 HG2 LYS 2 1HG LYS 2 10.912 0.786 -11.259 15 HG3 LYS 2 2HG LYS 2 12.344 1.220 -12.184 16 HD2 LYS 2 1HD LYS 2 10.640 1.040 -13.774 17 HD3 LYS 2 2HD LYS 2 11.521 -0.473 -13.967 18 HE2 LYS 2 1HE LYS 2 9.345 -0.588 -11.930 19 HE3 LYS 2 2HE LYS 2 8.773 -0.112 -13.528 20 HZ1 LYS 2 3HZ LYS 2 9.656 -2.064 -14.464 21 HZ2 LYS 2 1HZ LYS 2 10.307 -2.593 -13.052 22 HZ3 LYS 2 2HZ LYS 2 8.658 -2.474 -13.245 23 H MET 3 H MET 3 11.250 -1.489 -8.066 24 HA MET 3 HA MET 3 12.025 -4.267 -8.266 25 HB2 MET 3 1HB MET 3 13.801 -3.283 -6.800 26 HB3 MET 3 2HB MET 3 12.552 -2.624 -5.735 27 HG2 MET 3 1HG MET 3 11.732 -4.898 -5.348 28 HG3 MET 3 2HG MET 3 13.076 -5.560 -6.294 29 HE1 MET 3 3HE MET 3 16.083 -4.342 -3.815 30 HE2 MET 3 1HE MET 3 15.708 -4.804 -5.489 31 HE3 MET 3 2HE MET 3 15.316 -3.168 -4.907 32 H LYS 4 H LYS 4 10.286 -5.558 -7.053 33 HA LYS 4 HA LYS 4 8.271 -3.845 -5.756 34 HB2 LYS 4 1HB LYS 4 7.384 -4.116 -7.948 35 HB3 LYS 4 2HB LYS 4 7.558 -5.875 -7.894 36 HG2 LYS 4 1HG LYS 4 5.896 -4.606 -5.730 37 HG3 LYS 4 2HG LYS 4 5.248 -4.481 -7.353 38 HD2 LYS 4 1HD LYS 4 6.127 -7.143 -6.194 39 HD3 LYS 4 2HD LYS 4 4.531 -6.476 -5.870 40 HE2 LYS 4 1HE LYS 4 5.438 -6.608 -8.748 41 HE3 LYS 4 2HE LYS 4 5.029 -8.122 -7.942 42 HZ1 LYS 4 3HZ LYS 4 2.853 -7.330 -7.495 43 HZ2 LYS 4 1HZ LYS 4 3.160 -5.832 -8.071 44 HZ3 LYS 4 2HZ LYS 4 3.118 -7.134 -9.082 45 H LYS 5 H LYS 5 8.267 -4.461 -3.662 46 HA LYS 5 HA LYS 5 8.092 -7.395 -3.188 47 HB2 LYS 5 1HB LYS 5 9.563 -5.329 -1.602 48 HB3 LYS 5 2HB LYS 5 8.707 -6.553 -0.706 49 HG2 LYS 5 1HG LYS 5 10.619 -7.709 -0.879 50 HG3 LYS 5 2HG LYS 5 9.876 -8.258 -2.369 51 HD2 LYS 5 1HD LYS 5 11.170 -6.247 -3.454 52 HD3 LYS 5 2HD LYS 5 12.142 -6.298 -1.974 53 HE2 LYS 5 1HE LYS 5 11.658 -8.556 -3.965 54 HE3 LYS 5 2HE LYS 5 13.165 -7.651 -3.796 55 HZ1 LYS 5 3HZ LYS 5 13.670 -8.838 -1.840 56 HZ2 LYS 5 1HZ LYS 5 12.124 -9.178 -1.495 57 HZ3 LYS 5 2HZ LYS 5 12.823 -9.976 -2.694 58 H TYR 6 H TYR 6 6.978 -7.954 -1.133 59 HA TYR 6 HA TYR 6 4.383 -6.521 -0.806 60 HB2 TYR 6 1HB TYR 6 5.029 -9.490 -0.807 61 HB3 TYR 6 2HB TYR 6 3.452 -8.824 -0.394 62 HD1 TYR 6 1HD TYR 6 5.842 -9.479 -3.128 63 HD2 TYR 6 2HD TYR 6 1.944 -7.962 -2.083 64 HE1 TYR 6 1HE TYR 6 5.195 -9.588 -5.471 65 HE2 TYR 6 2HE TYR 6 1.231 -8.149 -4.451 66 HH TYR 6 HH TYR 6 2.966 -9.854 -6.878 67 H THR 7 H THR 7 3.278 -7.635 1.425 68 HA THR 7 HA THR 7 5.249 -7.585 3.596 69 HB THR 7 HB THR 7 3.608 -6.020 4.720 70 HG1 THR 7 1HG THR 7 2.612 -5.687 2.084 71 HG21 THR 7 3HG2 THR 7 4.765 -4.792 2.179 72 HG22 THR 7 1HG2 THR 7 4.221 -3.952 3.653 73 HG23 THR 7 2HG2 THR 7 5.625 -5.021 3.725 74 H LYS 8 H LYS 8 4.119 -8.219 5.587 75 HA LYS 8 HA LYS 8 2.112 -10.334 5.214 76 HB2 LYS 8 1HB LYS 8 3.487 -9.337 7.751 77 HB3 LYS 8 2HB LYS 8 2.259 -10.590 7.706 78 HG2 LYS 8 1HG LYS 8 3.736 -11.748 5.934 79 HG3 LYS 8 2HG LYS 8 5.012 -10.633 6.420 80 HD2 LYS 8 1HD LYS 8 3.674 -12.291 8.560 81 HD3 LYS 8 2HD LYS 8 4.740 -13.085 7.391 82 HE2 LYS 8 1HE LYS 8 6.421 -11.186 7.970 83 HE3 LYS 8 2HE LYS 8 5.440 -10.965 9.423 84 HZ1 LYS 8 3HZ LYS 8 6.816 -13.423 8.535 85 HZ2 LYS 8 1HZ LYS 8 7.238 -12.543 9.808 86 HZ3 LYS 8 2HZ LYS 8 5.814 -13.392 9.854 87 H THR 9 H THR 9 1.857 -6.892 5.534 88 HA THR 9 HA THR 9 -0.722 -7.027 6.895 89 HB THR 9 HB THR 9 -0.471 -4.565 6.763 90 HG1 THR 9 1HG THR 9 0.870 -3.822 5.408 91 HG21 THR 9 3HG2 THR 9 1.970 -6.025 7.920 92 HG22 THR 9 1HG2 THR 9 1.411 -4.410 8.372 93 HG23 THR 9 2HG2 THR 9 0.400 -5.818 8.729 94 H HIS 10 H HIS 10 -0.184 -8.101 4.072 95 HA HIS 10 HA HIS 10 -1.180 -8.268 2.077 96 HB2 HIS 10 1HB HIS 10 -3.685 -6.853 2.841 97 HB3 HIS 10 2HB HIS 10 -3.453 -8.308 1.929 98 HD1 HIS 10 1HD HIS 10 -3.504 -10.625 3.375 99 HD2 HIS 10 2HD HIS 10 -4.028 -6.981 5.477 100 HE1 HIS 10 1HE HIS 10 -4.486 -11.222 5.658 101 HE2 HIS 10 2HE HIS 10 -4.813 -9.002 6.937 102 H GLU 11 H GLU 11 0.595 -6.121 2.236 103 HA GLU 11 HA GLU 11 -0.626 -4.237 0.279 104 HB2 GLU 11 1HB GLU 11 1.527 -3.640 2.334 105 HB3 GLU 11 2HB GLU 11 1.040 -2.557 1.047 106 HG2 GLU 11 1HG GLU 11 -1.021 -2.059 2.025 107 HG3 GLU 11 2HG GLU 11 -1.050 -3.529 3.003 108 H TRP 12 H TRP 12 0.698 -3.576 -1.402 109 HA TRP 12 HA TRP 12 3.159 -5.161 -1.958 110 HB2 TRP 12 1HB TRP 12 2.640 -4.847 -4.342 111 HB3 TRP 12 2HB TRP 12 1.393 -5.770 -3.522 112 HD1 TRP 12 HD TRP 12 -0.993 -4.664 -3.228 113 HE1 TRP 12 1HE TRP 12 -2.187 -2.713 -4.365 114 HE3 TRP 12 3HE TRP 12 3.041 -2.408 -5.464 115 HZ2 TRP 12 2HZ TRP 12 -1.444 -0.268 -5.677 116 HZ3 TRP 12 3HZ TRP 12 2.698 -0.299 -6.730 117 HH2 TRP 12 HH TRP 12 0.511 0.780 -6.836 118 H VAL 13 H VAL 13 4.753 -3.924 -3.224 119 HA VAL 13 HA VAL 13 4.713 -1.012 -2.691 120 HB VAL 13 HB VAL 13 7.144 -2.747 -2.101 121 HG11 VAL 13 1HG1 VAL 13 7.454 -0.923 -0.411 122 HG12 VAL 13 2HG1 VAL 13 7.587 -0.481 -2.100 123 HG13 VAL 13 3HG1 VAL 13 6.113 -0.056 -1.176 124 HG21 VAL 13 3HG2 VAL 13 4.866 -2.308 -0.111 125 HG22 VAL 13 1HG2 VAL 13 5.453 -3.868 -0.700 126 HG23 VAL 13 2HG2 VAL 13 6.501 -2.882 0.294 127 H SER 14 H SER 14 4.829 -0.279 -4.843 128 HA SER 14 HA SER 14 6.642 -1.591 -6.833 129 HB2 SER 14 1HB SER 14 4.550 0.544 -6.842 130 HB3 SER 14 2HB SER 14 5.853 0.753 -7.957 131 HG SER 14 HG SER 14 5.312 -1.275 -8.895 132 H ILE 15 H ILE 15 8.783 -1.102 -6.046 133 HA ILE 15 HA ILE 15 9.461 1.692 -5.418 134 HB ILE 15 HB ILE 15 11.209 -0.773 -5.756 135 HG12 ILE 15 1HG1 ILE 15 11.378 -0.013 -3.127 136 HG13 ILE 15 2HG1 ILE 15 9.752 0.458 -3.448 137 HG21 ILE 15 1HG2 ILE 15 12.509 1.232 -6.274 138 HG22 ILE 15 2HG2 ILE 15 11.885 2.053 -4.833 139 HG23 ILE 15 3HG2 ILE 15 12.967 0.649 -4.677 140 HD11 ILE 15 3HD1 ILE 15 9.951 -1.848 -2.522 141 HD12 ILE 15 1HD1 ILE 15 9.082 -1.766 -4.052 142 HD13 ILE 15 2HD1 ILE 15 10.751 -2.350 -4.031 143 H GLU 16 H GLU 16 10.394 3.088 -6.856 144 HA GLU 16 HA GLU 16 10.696 2.188 -9.680 145 HB2 GLU 16 1HB GLU 16 8.671 3.490 -9.237 146 HB3 GLU 16 2HB GLU 16 9.640 4.840 -8.644 147 HG2 GLU 16 1HG GLU 16 10.500 5.312 -10.804 148 HG3 GLU 16 2HG GLU 16 10.146 3.687 -11.406 149 H ASP 17 H ASP 17 11.567 5.420 -8.749 150 HA ASP 17 HA ASP 17 14.432 4.762 -9.095 151 HB2 ASP 17 1HB ASP 17 12.727 7.179 -9.491 152 HB3 ASP 17 2HB ASP 17 14.344 7.469 -8.885 153 H LYS 18 H LYS 18 12.880 7.228 -7.040 154 HA LYS 18 HA LYS 18 14.119 6.034 -4.584 155 HB2 LYS 18 1HB LYS 18 13.828 9.003 -5.247 156 HB3 LYS 18 2HB LYS 18 14.565 8.343 -3.812 157 HG2 LYS 18 1HG LYS 18 15.674 8.116 -6.647 158 HG3 LYS 18 2HG LYS 18 16.240 9.205 -5.386 159 HD2 LYS 18 1HD LYS 18 16.351 6.171 -5.211 160 HD3 LYS 18 2HD LYS 18 17.697 7.203 -5.681 161 HE2 LYS 18 1HE LYS 18 17.674 8.328 -3.503 162 HE3 LYS 18 2HE LYS 18 16.234 7.425 -3.020 163 HZ1 LYS 18 3HZ LYS 18 18.139 6.427 -2.079 164 HZ2 LYS 18 1HZ LYS 18 17.542 5.385 -3.200 165 HZ3 LYS 18 2HZ LYS 18 18.904 6.260 -3.506 166 H VAL 19 H VAL 19 11.337 5.993 -5.880 167 HA VAL 19 HA VAL 19 9.888 6.726 -3.424 168 HB VAL 19 HB VAL 19 9.127 7.312 -6.310 169 HG11 VAL 19 1HG1 VAL 19 7.018 8.276 -5.463 170 HG12 VAL 19 2HG1 VAL 19 7.090 6.537 -5.195 171 HG13 VAL 19 3HG1 VAL 19 7.384 7.667 -3.839 172 HG21 VAL 19 3HG2 VAL 19 8.931 9.658 -5.502 173 HG22 VAL 19 1HG2 VAL 19 9.490 9.151 -3.899 174 HG23 VAL 19 2HG2 VAL 19 10.569 9.045 -5.308 175 H ALA 20 H ALA 20 8.071 5.287 -3.052 176 HA ALA 20 HA ALA 20 7.799 2.965 -4.860 177 HB1 ALA 20 1HB ALA 20 7.573 1.386 -3.071 178 HB2 ALA 20 2HB ALA 20 9.057 2.304 -2.699 179 HB3 ALA 20 3HB ALA 20 7.556 2.663 -1.834 180 H THR 21 H THR 21 5.713 2.603 -5.362 181 HA THR 21 HA THR 21 3.573 4.187 -4.089 182 HB THR 21 HB THR 21 3.393 2.047 -6.243 183 HG1 THR 21 1HG THR 21 3.596 3.625 -7.713 184 HG21 THR 21 3HG2 THR 21 1.245 2.566 -5.246 185 HG22 THR 21 1HG2 THR 21 1.502 4.304 -5.489 186 HG23 THR 21 2HG2 THR 21 1.321 3.225 -6.887 187 H VAL 22 H VAL 22 2.180 3.374 -2.623 188 HA VAL 22 HA VAL 22 2.349 0.530 -1.796 189 HB VAL 22 HB VAL 22 1.317 2.956 -0.249 190 HG11 VAL 22 1HG1 VAL 22 2.073 0.142 0.671 191 HG12 VAL 22 2HG1 VAL 22 1.551 1.479 1.724 192 HG13 VAL 22 3HG1 VAL 22 0.432 0.799 0.556 193 HG21 VAL 22 3HG2 VAL 22 4.086 1.696 -0.168 194 HG22 VAL 22 1HG2 VAL 22 3.671 3.372 -0.595 195 HG23 VAL 22 2HG2 VAL 22 3.438 2.819 1.056 196 H GLY 23 H GLY 23 0.494 -0.694 -1.982 197 HA2 GLY 23 1HA GLY 23 -2.103 0.568 -1.749 198 HA3 GLY 23 2HA GLY 23 -1.893 -0.318 -3.234 199 H ILE 24 H ILE 24 -3.760 -1.241 -1.370 200 HA ILE 24 HA ILE 24 -2.554 -3.465 0.103 201 HB ILE 24 HB ILE 24 -4.914 -4.237 0.367 202 HG12 ILE 24 1HG1 ILE 24 -5.783 -1.449 -0.444 203 HG13 ILE 24 2HG1 ILE 24 -5.752 -2.751 -1.636 204 HG21 ILE 24 1HG2 ILE 24 -4.183 -1.477 1.410 205 HG22 ILE 24 2HG2 ILE 24 -5.356 -2.588 2.144 206 HG23 ILE 24 3HG2 ILE 24 -3.648 -3.029 2.087 207 HD11 ILE 24 3HD1 ILE 24 -7.988 -2.306 -0.376 208 HD12 ILE 24 1HD1 ILE 24 -7.450 -3.966 -0.594 209 HD13 ILE 24 2HD1 ILE 24 -7.239 -3.152 0.976 210 H THR 25 H THR 25 -2.900 -5.715 -0.500 211 HA THR 25 HA THR 25 -2.769 -6.182 -3.379 212 HB THR 25 HB THR 25 -2.504 -8.544 -2.635 213 HG1 THR 25 1HG THR 25 -2.516 -9.029 -0.496 214 HG21 THR 25 3HG2 THR 25 -0.482 -7.093 -2.624 215 HG22 THR 25 1HG2 THR 25 -0.821 -6.621 -0.955 216 HG23 THR 25 2HG2 THR 25 -0.416 -8.293 -1.343 217 H ASN 26 H ASN 26 -4.234 -7.820 -4.414 218 HA ASN 26 HA ASN 26 -6.942 -7.147 -4.254 219 HB2 ASN 26 1HB ASN 26 -7.184 -8.527 -5.969 220 HB3 ASN 26 2HB ASN 26 -5.443 -8.699 -5.963 221 HD21 ASN 26 1HD2 ASN 26 -8.400 -10.402 -5.924 222 HD22 ASN 26 2HD2 ASN 26 -7.935 -11.843 -5.079 223 H HIS 27 H HIS 27 -5.276 -9.625 -2.462 224 HA HIS 27 HA HIS 27 -7.472 -11.073 -1.529 225 HB2 HIS 27 1HB HIS 27 -5.077 -11.651 -1.296 226 HB3 HIS 27 2HB HIS 27 -4.912 -10.488 0.021 227 HD1 HIS 27 1HD HIS 27 -6.549 -13.923 -0.777 228 HD2 HIS 27 2HD HIS 27 -6.128 -11.134 2.381 229 HE1 HIS 27 1HE HIS 27 -7.202 -15.118 1.380 230 HE2 HIS 27 2HE HIS 27 -6.989 -13.453 3.272 231 H ALA 28 H ALA 28 -6.421 -7.889 -0.420 232 HA ALA 28 HA ALA 28 -8.070 -7.850 1.975 233 HB1 ALA 28 1HB ALA 28 -6.607 -5.753 0.365 234 HB2 ALA 28 2HB ALA 28 -7.495 -5.415 1.882 235 HB3 ALA 28 3HB ALA 28 -6.089 -6.499 1.885 236 H GLN 29 H GLN 29 -8.378 -6.182 -1.291 237 HA GLN 29 HA GLN 29 -10.916 -5.097 -0.753 238 HB2 GLN 29 1HB GLN 29 -11.190 -4.809 -3.178 239 HB3 GLN 29 2HB GLN 29 -9.620 -4.317 -2.599 240 HG2 GLN 29 1HG GLN 29 -9.180 -5.229 -4.625 241 HG3 GLN 29 2HG GLN 29 -8.678 -6.423 -3.470 242 HE21 GLN 29 1HE2 GLN 29 -9.517 -8.554 -3.829 243 HE22 GLN 29 2HE2 GLN 29 -10.842 -8.820 -4.959 244 H GLU 30 H GLU 30 -10.122 -8.393 -1.712 245 HA GLU 30 HA GLU 30 -12.589 -9.358 -2.579 246 HB2 GLU 30 1HB GLU 30 -10.017 -10.358 -1.544 247 HB3 GLU 30 2HB GLU 30 -11.341 -11.314 -0.912 248 HG2 GLU 30 1HG GLU 30 -12.159 -11.745 -3.180 249 HG3 GLU 30 2HG GLU 30 -10.900 -10.708 -3.862 250 H GLN 31 H GLN 31 -11.529 -8.477 0.690 251 HA GLN 31 HA GLN 31 -13.914 -9.728 1.865 252 HB2 GLN 31 1HB GLN 31 -11.644 -8.271 3.241 253 HB3 GLN 31 2HB GLN 31 -12.936 -9.225 3.989 254 HG2 GLN 31 1HG GLN 31 -10.657 -10.241 2.260 255 HG3 GLN 31 2HG GLN 31 -10.964 -10.587 3.956 256 HE21 GLN 31 1HE2 GLN 31 -13.328 -11.609 4.340 257 HE22 GLN 31 2HE2 GLN 31 -13.803 -12.824 3.171 258 H LEU 32 H LEU 32 -12.428 -6.461 1.443 259 HA LEU 32 HA LEU 32 -14.418 -5.013 2.806 260 HB2 LEU 32 1HB LEU 32 -12.599 -4.128 0.537 261 HB3 LEU 32 2HB LEU 32 -13.697 -3.049 1.234 262 HG LEU 32 HG LEU 32 -12.312 -4.342 3.424 263 HD11 LEU 32 1HD1 LEU 32 -10.063 -3.593 3.103 264 HD12 LEU 32 2HD1 LEU 32 -10.503 -4.794 1.883 265 HD13 LEU 32 3HD1 LEU 32 -10.429 -3.066 1.430 266 HD21 LEU 32 3HD2 LEU 32 -12.355 -1.511 2.295 267 HD22 LEU 32 1HD2 LEU 32 -13.314 -2.147 3.652 268 HD23 LEU 32 2HD2 LEU 32 -11.575 -1.946 3.851 269 H GLY 33 H GLY 33 -14.376 -6.018 -0.627 270 HA2 GLY 33 1HA GLY 33 -15.967 -5.829 -2.261 271 HA3 GLY 33 2HA GLY 33 -17.189 -5.510 -1.018 272 H ASP 34 H ASP 34 -18.099 -3.604 -1.251 273 HA ASP 34 HA ASP 34 -17.230 -2.192 -3.527 274 HB2 ASP 34 1HB ASP 34 -19.701 -2.294 -1.739 275 HB3 ASP 34 2HB ASP 34 -19.665 -1.030 -2.941 276 H VAL 35 H VAL 35 -15.540 -1.547 -1.833 277 HA VAL 35 HA VAL 35 -15.786 -0.793 0.248 278 HB VAL 35 HB VAL 35 -13.709 -0.731 -0.514 279 HG11 VAL 35 1HG1 VAL 35 -12.753 1.481 -1.315 280 HG12 VAL 35 2HG1 VAL 35 -13.184 0.026 -2.186 281 HG13 VAL 35 3HG1 VAL 35 -14.356 1.419 -2.123 282 HG21 VAL 35 3HG2 VAL 35 -14.255 1.817 1.021 283 HG22 VAL 35 1HG2 VAL 35 -13.957 0.195 1.613 284 HG23 VAL 35 2HG2 VAL 35 -12.671 1.028 0.812 285 H VAL 36 H VAL 36 -15.408 2.553 -0.351 286 HA VAL 36 HA VAL 36 -17.873 3.654 -0.173 287 HB VAL 36 HB VAL 36 -17.775 1.931 1.983 288 HG11 VAL 36 1HG1 VAL 36 -15.916 2.847 2.919 289 HG12 VAL 36 2HG1 VAL 36 -16.847 4.335 3.339 290 HG13 VAL 36 3HG1 VAL 36 -17.336 2.766 3.993 291 HG21 VAL 36 3HG2 VAL 36 -19.728 2.905 1.191 292 HG22 VAL 36 1HG2 VAL 36 -19.610 3.088 2.945 293 HG23 VAL 36 2HG2 VAL 36 -19.292 4.482 1.887 294 H TYR 37 H TYR 37 -14.664 3.476 1.427 295 HA TYR 37 HA TYR 37 -14.131 6.343 0.976 296 HB2 TYR 37 1HB TYR 37 -15.609 6.312 2.980 297 HB3 TYR 37 2HB TYR 37 -14.545 5.142 3.760 298 HD1 TYR 37 1HD TYR 37 -14.652 8.591 2.322 299 HD2 TYR 37 2HD TYR 37 -12.684 5.929 5.082 300 HE1 TYR 37 1HE TYR 37 -13.251 10.456 3.088 301 HE2 TYR 37 2HE TYR 37 -11.212 7.761 5.790 302 HH TYR 37 HH TYR 37 -11.035 10.798 4.096 303 H VAL 38 H VAL 38 -11.955 6.913 2.025 304 HA VAL 38 HA VAL 38 -10.227 4.972 3.045 305 HB VAL 38 HB VAL 38 -9.385 4.045 1.185 306 HG11 VAL 38 1HG1 VAL 38 -10.339 6.342 -0.557 307 HG12 VAL 38 2HG1 VAL 38 -9.645 4.776 -1.111 308 HG13 VAL 38 3HG1 VAL 38 -11.168 4.797 -0.296 309 HG21 VAL 38 3HG2 VAL 38 -7.621 5.209 -0.073 310 HG22 VAL 38 1HG2 VAL 38 -8.138 6.744 0.632 311 HG23 VAL 38 2HG2 VAL 38 -7.473 5.442 1.664 312 H ASP 39 H ASP 39 -8.743 5.756 4.148 313 HA ASP 39 HA ASP 39 -8.619 8.653 4.418 314 HB2 ASP 39 1HB ASP 39 -8.845 7.791 6.619 315 HB3 ASP 39 2HB ASP 39 -8.104 6.289 6.210 316 H LEU 40 H LEU 40 -6.485 9.678 4.188 317 HA LEU 40 HA LEU 40 -4.340 8.012 3.156 318 HB2 LEU 40 1HB LEU 40 -5.548 10.349 1.599 319 HB3 LEU 40 2HB LEU 40 -3.947 9.729 1.294 320 HG LEU 40 HG LEU 40 -6.477 8.065 1.075 321 HD11 LEU 40 1HD1 LEU 40 -4.808 9.332 -1.122 322 HD12 LEU 40 2HD1 LEU 40 -6.231 8.282 -1.332 323 HD13 LEU 40 3HD1 LEU 40 -6.408 9.864 -0.567 324 HD21 LEU 40 3HD2 LEU 40 -4.552 6.618 1.481 325 HD22 LEU 40 1HD2 LEU 40 -5.013 6.496 -0.214 326 HD23 LEU 40 2HD2 LEU 40 -3.598 7.478 0.247 327 HA PRO 41 HA PRO 41 -2.159 10.876 5.625 328 HB2 PRO 41 1HB PRO 41 0.378 10.742 4.447 329 HB3 PRO 41 2HB PRO 41 -0.290 9.637 5.664 330 HG2 PRO 41 1HG PRO 41 0.165 9.109 2.794 331 HG3 PRO 41 2HG PRO 41 -0.188 7.983 4.129 332 HD2 PRO 41 1HD PRO 41 -1.969 9.012 2.108 333 HD3 PRO 41 2HD PRO 41 -2.296 7.813 3.389 334 H GLU 42 H GLU 42 -0.591 12.778 5.417 335 HA GLU 42 HA GLU 42 -1.432 14.660 3.329 336 HB2 GLU 42 1HB GLU 42 -1.063 15.216 5.811 337 HB3 GLU 42 2HB GLU 42 0.651 14.921 5.537 338 HG2 GLU 42 1HG GLU 42 0.052 16.728 3.503 339 HG3 GLU 42 2HG GLU 42 -1.057 17.217 4.778 340 H VAL 43 H VAL 43 0.148 15.516 1.829 341 HA VAL 43 HA VAL 43 1.857 13.568 0.683 342 HB VAL 43 HB VAL 43 0.229 15.571 -0.154 343 HG11 VAL 43 1HG1 VAL 43 2.005 17.290 0.597 344 HG12 VAL 43 2HG1 VAL 43 2.920 16.743 -0.830 345 HG13 VAL 43 3HG1 VAL 43 1.297 17.439 -1.025 346 HG21 VAL 43 3HG2 VAL 43 1.056 15.212 -2.399 347 HG22 VAL 43 1HG2 VAL 43 2.541 14.515 -1.737 348 HG23 VAL 43 2HG2 VAL 43 0.990 13.687 -1.505 349 H GLY 44 H GLY 44 2.672 14.704 3.230 350 HA2 GLY 44 1HA GLY 44 5.533 15.078 2.864 351 HA3 GLY 44 2HA GLY 44 4.693 16.469 3.561 352 H ARG 45 H ARG 45 3.109 13.544 4.452 353 HA ARG 45 HA ARG 45 3.856 13.901 7.222 354 HB2 ARG 45 1HB ARG 45 1.635 13.078 6.441 355 HB3 ARG 45 2HB ARG 45 2.388 11.572 5.907 356 HG2 ARG 45 1HG ARG 45 2.867 10.912 8.171 357 HG3 ARG 45 2HG ARG 45 2.577 12.550 8.792 358 HD2 ARG 45 1HD ARG 45 0.213 12.398 8.197 359 HD3 ARG 45 2HD ARG 45 0.449 10.756 7.550 360 HE ARG 45 HE ARG 45 1.332 10.806 10.256 361 HH11 ARG 45 2HH2 ARG 45 -1.800 11.107 8.532 362 HH12 ARG 45 1HH2 ARG 45 -2.709 10.484 9.855 363 HH21 ARG 45 2HH1 ARG 45 0.166 10.017 11.916 364 HH22 ARG 45 1HH1 ARG 45 -1.565 9.760 11.831 365 H GLU 46 H GLU 46 5.621 13.005 8.257 366 HA GLU 46 HA GLU 46 7.315 11.042 6.836 367 HB2 GLU 46 1HB GLU 46 7.526 12.859 9.136 368 HB3 GLU 46 2HB GLU 46 8.106 11.265 9.560 369 HG2 GLU 46 1HG GLU 46 8.983 12.333 6.881 370 HG3 GLU 46 2HG GLU 46 9.529 13.218 8.260 371 H VAL 47 H VAL 47 7.495 8.832 7.474 372 HA VAL 47 HA VAL 47 5.547 7.809 9.437 373 HB VAL 47 HB VAL 47 4.538 6.289 7.833 374 HG11 VAL 47 1HG1 VAL 47 4.328 9.120 6.739 375 HG12 VAL 47 2HG1 VAL 47 3.139 7.826 6.606 376 HG13 VAL 47 3HG1 VAL 47 3.515 8.526 8.195 377 HG21 VAL 47 3HG2 VAL 47 6.407 6.090 6.195 378 HG22 VAL 47 1HG2 VAL 47 4.850 6.443 5.437 379 HG23 VAL 47 2HG2 VAL 47 6.058 7.735 5.622 380 H LYS 48 H LYS 48 5.821 5.117 9.156 381 HA LYS 48 HA LYS 48 8.680 4.471 8.928 382 HB2 LYS 48 1HB LYS 48 6.831 4.086 11.308 383 HB3 LYS 48 2HB LYS 48 8.244 3.112 11.033 384 HG2 LYS 48 1HG LYS 48 9.654 5.201 10.886 385 HG3 LYS 48 2HG LYS 48 8.230 6.132 11.399 386 HD2 LYS 48 1HD LYS 48 8.144 4.949 13.511 387 HD3 LYS 48 2HD LYS 48 9.432 3.833 12.986 388 HE2 LYS 48 1HE LYS 48 11.031 5.666 12.817 389 HE3 LYS 48 2HE LYS 48 9.774 6.850 13.241 390 HZ1 LYS 48 3HZ LYS 48 9.589 5.849 15.388 391 HZ2 LYS 48 1HZ LYS 48 10.644 4.642 14.997 392 HZ3 LYS 48 2HZ LYS 48 11.169 6.203 15.144 393 H LYS 49 H LYS 49 8.908 2.075 8.993 394 HA LYS 49 HA LYS 49 7.359 0.954 6.945 395 HB2 LYS 49 1HB LYS 49 8.995 -0.794 7.008 396 HB3 LYS 49 2HB LYS 49 9.812 0.631 7.644 397 HG2 LYS 49 1HG LYS 49 8.988 -0.352 9.979 398 HG3 LYS 49 2HG LYS 49 8.921 -1.863 9.063 399 HD2 LYS 49 1HD LYS 49 11.288 -1.585 8.400 400 HD3 LYS 49 2HD LYS 49 11.343 -0.038 9.294 401 HE2 LYS 49 1HE LYS 49 10.731 -1.152 11.367 402 HE3 LYS 49 2HE LYS 49 10.589 -2.712 10.550 403 HZ1 LYS 49 3HZ LYS 49 13.117 -1.208 10.523 404 HZ2 LYS 49 1HZ LYS 49 12.698 -2.172 11.779 405 HZ3 LYS 49 2HZ LYS 49 12.876 -2.831 10.276 406 H GLY 50 H GLY 50 5.838 1.349 9.437 407 HA2 GLY 50 1HA GLY 50 4.003 -0.609 8.720 408 HA3 GLY 50 2HA GLY 50 4.576 -1.065 10.335 409 H GLU 51 H GLU 51 3.576 2.004 8.599 410 HA GLU 51 HA GLU 51 2.041 2.816 11.001 411 HB2 GLU 51 1HB GLU 51 3.655 4.195 8.853 412 HB3 GLU 51 2HB GLU 51 2.277 5.020 9.527 413 HG2 GLU 51 1HG GLU 51 3.637 3.891 11.753 414 HG3 GLU 51 2HG GLU 51 4.863 4.586 10.705 415 H VAL 52 H VAL 52 -0.039 2.893 10.937 416 HA VAL 52 HA VAL 52 -1.594 2.018 8.758 417 HB VAL 52 HB VAL 52 -2.429 1.141 10.486 418 HG11 VAL 52 1HG1 VAL 52 -2.574 1.964 12.762 419 HG12 VAL 52 2HG1 VAL 52 -0.946 1.886 12.133 420 HG13 VAL 52 3HG1 VAL 52 -1.776 3.476 12.250 421 HG21 VAL 52 3HG2 VAL 52 -4.430 2.412 9.770 422 HG22 VAL 52 1HG2 VAL 52 -4.453 2.041 11.500 423 HG23 VAL 52 2HG2 VAL 52 -4.026 3.676 10.952 424 H VAL 53 H VAL 53 -0.289 4.577 8.111 425 HA VAL 53 HA VAL 53 -2.019 6.796 8.415 426 HB VAL 53 HB VAL 53 -0.455 7.874 6.822 427 HG11 VAL 53 1HG1 VAL 53 0.691 6.304 9.127 428 HG12 VAL 53 2HG1 VAL 53 1.493 7.658 8.325 429 HG13 VAL 53 3HG1 VAL 53 -0.038 7.904 9.176 430 HG21 VAL 53 3HG2 VAL 53 0.014 5.729 5.476 431 HG22 VAL 53 1HG2 VAL 53 1.393 6.755 5.854 432 HG23 VAL 53 2HG2 VAL 53 1.119 5.280 6.789 433 H ALA 54 H ALA 54 -3.176 4.352 6.704 434 HA ALA 54 HA ALA 54 -4.539 6.082 4.821 435 HB1 ALA 54 1HB ALA 54 -2.749 3.821 3.843 436 HB2 ALA 54 2HB ALA 54 -3.954 4.672 2.834 437 HB3 ALA 54 3HB ALA 54 -2.578 5.560 3.517 438 H SER 55 H SER 55 -5.775 5.077 6.886 439 HA SER 55 HA SER 55 -6.442 2.289 6.835 440 HB2 SER 55 1HB SER 55 -7.063 4.613 8.411 441 HB3 SER 55 2HB SER 55 -8.556 3.794 8.051 442 HG SER 55 HG SER 55 -7.785 2.884 9.865 443 H ILE 56 H ILE 56 -8.238 1.294 6.239 444 HA ILE 56 HA ILE 56 -9.949 2.639 4.174 445 HB ILE 56 HB ILE 56 -9.602 -0.353 4.423 446 HG12 ILE 56 1HG1 ILE 56 -7.945 1.529 2.796 447 HG13 ILE 56 2HG1 ILE 56 -7.343 0.425 4.028 448 HG21 ILE 56 1HG2 ILE 56 -11.609 0.503 3.183 449 HG22 ILE 56 2HG2 ILE 56 -10.546 1.520 2.214 450 HG23 ILE 56 3HG2 ILE 56 -10.490 -0.234 2.058 451 HD11 ILE 56 3HD1 ILE 56 -8.395 -0.327 1.291 452 HD12 ILE 56 1HD1 ILE 56 -6.773 -0.529 1.953 453 HD13 ILE 56 2HD1 ILE 56 -8.108 -1.501 2.603 454 H GLU 57 H GLU 57 -12.202 2.550 4.408 455 HA GLU 57 HA GLU 57 -13.405 0.855 6.456 456 HB2 GLU 57 1HB GLU 57 -13.841 3.813 5.908 457 HB3 GLU 57 2HB GLU 57 -15.287 2.782 5.933 458 HG2 GLU 57 1HG GLU 57 -14.544 1.843 8.094 459 HG3 GLU 57 2HG GLU 57 -13.262 3.056 8.169 460 H SER 58 H SER 58 -15.066 -0.344 5.334 461 HA SER 58 HA SER 58 -15.873 0.689 2.683 462 HB2 SER 58 1HB SER 58 -16.500 -1.457 1.863 463 HB3 SER 58 2HB SER 58 -14.809 -1.479 2.195 464 HG SER 58 HG SER 58 -16.099 -3.216 2.632 465 H VAL 59 H VAL 59 -18.238 -0.516 2.389 466 HA VAL 59 HA VAL 59 -20.046 0.823 3.853 467 HB VAL 59 HB VAL 59 -21.569 -1.188 3.160 468 HG11 VAL 59 1HG1 VAL 59 -19.966 0.449 1.158 469 HG12 VAL 59 2HG1 VAL 59 -21.447 -0.424 0.779 470 HG13 VAL 59 3HG1 VAL 59 -21.459 0.930 1.945 471 HG21 VAL 59 3HG2 VAL 59 -19.084 -1.896 1.516 472 HG22 VAL 59 1HG2 VAL 59 -19.688 -2.857 2.889 473 HG23 VAL 59 2HG2 VAL 59 -20.677 -2.633 1.439 474 H LYS 60 H LYS 60 -18.634 -2.342 4.953 475 HA LYS 60 HA LYS 60 -19.111 -1.176 7.553 476 HB2 LYS 60 1HB LYS 60 -20.583 -3.690 6.770 477 HB3 LYS 60 2HB LYS 60 -19.869 -3.679 8.357 478 HG2 LYS 60 1HG LYS 60 -21.683 -2.658 9.118 479 HG3 LYS 60 2HG LYS 60 -21.101 -1.194 8.355 480 HD2 LYS 60 1HD LYS 60 -22.382 -2.168 6.217 481 HD3 LYS 60 2HD LYS 60 -23.175 -3.177 7.422 482 HE2 LYS 60 1HE LYS 60 -24.639 -1.380 7.351 483 HE3 LYS 60 2HE LYS 60 -23.587 -0.912 8.696 484 HZ1 LYS 60 3HZ LYS 60 -23.683 0.978 7.372 485 HZ2 LYS 60 1HZ LYS 60 -22.284 0.309 6.835 486 HZ3 LYS 60 2HZ LYS 60 -23.656 0.157 5.961 487 H ALA 61 H ALA 61 -16.824 -2.583 5.598 488 HA ALA 61 HA ALA 61 -15.509 -4.070 7.790 489 HB1 ALA 61 1HB ALA 61 -15.414 -4.892 5.369 490 HB2 ALA 61 2HB ALA 61 -14.367 -3.493 5.032 491 HB3 ALA 61 3HB ALA 61 -13.855 -4.689 6.194 492 H ALA 62 H ALA 62 -13.092 -3.509 8.036 493 HA ALA 62 HA ALA 62 -12.305 -0.852 7.217 494 HB1 ALA 62 1HB ALA 62 -11.986 -1.795 10.109 495 HB2 ALA 62 2HB ALA 62 -11.256 -0.334 9.413 496 HB3 ALA 62 3HB ALA 62 -13.018 -0.453 9.561 497 H ALA 63 H ALA 63 -9.848 -0.740 7.263 498 HA ALA 63 HA ALA 63 -8.362 -3.124 7.920 499 HB1 ALA 63 1HB ALA 63 -9.230 -3.792 5.655 500 HB2 ALA 63 2HB ALA 63 -8.438 -2.361 4.961 501 HB3 ALA 63 3HB ALA 63 -7.475 -3.647 5.718 502 H ASP 64 H ASP 64 -6.716 -2.130 8.990 503 HA ASP 64 HA ASP 64 -5.721 0.513 8.540 504 HB2 ASP 64 1HB ASP 64 -3.916 -1.508 9.787 505 HB3 ASP 64 2HB ASP 64 -4.353 0.059 10.328 506 H VAL 65 H VAL 65 -4.144 1.188 6.889 507 HA VAL 65 HA VAL 65 -2.811 -1.007 5.397 508 HB VAL 65 HB VAL 65 -3.223 1.911 4.812 509 HG11 VAL 65 1HG1 VAL 65 -1.872 1.780 2.935 510 HG12 VAL 65 2HG1 VAL 65 -0.972 0.727 3.950 511 HG13 VAL 65 3HG1 VAL 65 -2.060 0.006 2.765 512 HG21 VAL 65 3HG2 VAL 65 -5.218 0.490 4.539 513 HG22 VAL 65 1HG2 VAL 65 -4.667 1.081 2.987 514 HG23 VAL 65 2HG2 VAL 65 -4.310 -0.592 3.466 515 H TYR 66 H TYR 66 -0.629 -1.383 6.219 516 HA TYR 66 HA TYR 66 0.415 0.758 7.964 517 HB2 TYR 66 1HB TYR 66 1.164 -2.168 7.859 518 HB3 TYR 66 2HB TYR 66 1.814 -0.963 8.945 519 HD1 TYR 66 1HD TYR 66 0.225 0.077 10.717 520 HD2 TYR 66 2HD TYR 66 -0.839 -3.302 8.291 521 HE1 TYR 66 1HE TYR 66 -1.436 -0.647 12.426 522 HE2 TYR 66 2HE TYR 66 -2.388 -4.100 9.989 523 HH TYR 66 HH TYR 66 -3.207 -2.186 12.884 524 H ALA 67 H ALA 67 1.548 2.023 6.639 525 HA ALA 67 HA ALA 67 2.740 1.767 4.347 526 HB1 ALA 67 1HB ALA 67 4.310 3.565 4.898 527 HB2 ALA 67 2HB ALA 67 2.793 3.850 5.788 528 HB3 ALA 67 3HB ALA 67 4.217 3.164 6.609 529 HA PRO 68 HA PRO 68 5.339 -1.622 4.806 530 HB2 PRO 68 1HB PRO 68 6.525 -1.845 2.349 531 HB3 PRO 68 2HB PRO 68 4.764 -2.037 2.604 532 HG2 PRO 68 1HG PRO 68 6.216 0.472 1.703 533 HG3 PRO 68 2HG PRO 68 4.784 -0.314 0.956 534 HD2 PRO 68 1HD PRO 68 4.473 1.734 2.682 535 HD3 PRO 68 2HD PRO 68 3.379 0.315 2.745 536 H LEU 69 H LEU 69 7.064 1.364 4.067 537 HA LEU 69 HA LEU 69 9.640 0.271 5.111 538 HB2 LEU 69 1HB LEU 69 9.126 2.005 2.661 539 HB3 LEU 69 2HB LEU 69 10.676 1.941 3.489 540 HG LEU 69 HG LEU 69 11.033 0.667 1.692 541 HD11 LEU 69 1HD1 LEU 69 10.098 -1.488 3.629 542 HD12 LEU 69 2HD1 LEU 69 11.339 -1.642 2.382 543 HD13 LEU 69 3HD1 LEU 69 11.602 -0.574 3.765 544 HD21 LEU 69 3HD2 LEU 69 9.541 -0.924 0.659 545 HD22 LEU 69 1HD2 LEU 69 8.363 -0.705 1.959 546 HD23 LEU 69 2HD2 LEU 69 8.737 0.638 0.854 547 H SER 70 H SER 70 10.954 2.014 6.173 548 HA SER 70 HA SER 70 9.383 4.343 6.984 549 HB2 SER 70 1HB SER 70 12.287 3.543 7.374 550 HB3 SER 70 2HB SER 70 11.514 4.982 8.091 551 HG SER 70 HG SER 70 11.587 2.832 9.262 552 H GLY 71 H GLY 71 9.997 6.578 6.472 553 HA2 GLY 71 1HA GLY 71 11.265 7.666 4.302 554 HA3 GLY 71 2HA GLY 71 9.973 6.676 3.605 555 H LYS 72 H LYS 72 9.437 8.973 2.966 556 HA LYS 72 HA LYS 72 7.595 10.191 4.983 557 HB2 LYS 72 1HB LYS 72 9.028 11.878 2.985 558 HB3 LYS 72 2HB LYS 72 8.234 12.337 4.475 559 HG2 LYS 72 1HG LYS 72 10.406 12.595 5.131 560 HG3 LYS 72 2HG LYS 72 10.265 10.866 5.496 561 HD2 LYS 72 1HD LYS 72 11.246 10.410 3.184 562 HD3 LYS 72 2HD LYS 72 11.451 12.165 3.013 563 HE2 LYS 72 1HE LYS 72 12.796 12.133 5.164 564 HE3 LYS 72 2HE LYS 72 12.690 10.360 5.143 565 HZ1 LYS 72 3HZ LYS 72 13.891 12.039 3.031 566 HZ2 LYS 72 1HZ LYS 72 14.737 11.108 4.097 567 HZ3 LYS 72 2HZ LYS 72 13.776 10.423 2.958 568 H ILE 73 H ILE 73 5.586 10.808 3.981 569 HA ILE 73 HA ILE 73 4.955 9.570 1.424 570 HB ILE 73 HB ILE 73 3.413 11.562 3.123 571 HG12 ILE 73 1HG1 ILE 73 3.712 9.744 4.598 572 HG13 ILE 73 2HG1 ILE 73 2.138 9.517 3.922 573 HG21 ILE 73 1HG2 ILE 73 1.410 10.747 1.983 574 HG22 ILE 73 2HG2 ILE 73 2.536 11.359 0.803 575 HG23 ILE 73 3HG2 ILE 73 2.372 9.607 1.012 576 HD11 ILE 73 3HD1 ILE 73 3.076 7.373 3.941 577 HD12 ILE 73 1HD1 ILE 73 3.281 7.896 2.254 578 HD13 ILE 73 2HD1 ILE 73 4.653 7.952 3.375 579 H VAL 74 H VAL 74 4.614 10.692 -0.521 580 HA VAL 74 HA VAL 74 5.126 13.582 -0.647 581 HB VAL 74 HB VAL 74 6.811 13.132 -2.567 582 HG11 VAL 74 1HG1 VAL 74 7.576 13.886 -0.335 583 HG12 VAL 74 2HG1 VAL 74 7.867 12.187 0.121 584 HG13 VAL 74 3HG1 VAL 74 8.766 12.925 -1.218 585 HG21 VAL 74 3HG2 VAL 74 6.976 10.331 -1.363 586 HG22 VAL 74 1HG2 VAL 74 6.264 10.738 -2.943 587 HG23 VAL 74 2HG2 VAL 74 7.982 10.989 -2.656 588 H GLU 75 H GLU 75 3.508 10.717 -1.923 589 HA GLU 75 HA GLU 75 2.116 12.598 -3.685 590 HB2 GLU 75 1HB GLU 75 3.952 10.903 -4.816 591 HB3 GLU 75 2HB GLU 75 2.530 9.844 -4.751 592 HG2 GLU 75 1HG GLU 75 1.224 11.397 -6.017 593 HG3 GLU 75 2HG GLU 75 2.557 12.585 -6.040 594 H VAL 76 H VAL 76 -0.119 11.924 -3.938 595 HA VAL 76 HA VAL 76 -1.053 9.589 -2.383 596 HB VAL 76 HB VAL 76 -2.918 10.917 -1.455 597 HG11 VAL 76 1HG1 VAL 76 -0.970 10.495 -0.025 598 HG12 VAL 76 2HG1 VAL 76 -0.194 11.986 -0.599 599 HG13 VAL 76 3HG1 VAL 76 -1.701 12.074 0.319 600 HG21 VAL 76 3HG2 VAL 76 -2.823 13.380 -1.459 601 HG22 VAL 76 1HG2 VAL 76 -1.381 13.333 -2.502 602 HG23 VAL 76 2HG2 VAL 76 -2.935 12.738 -3.112 603 H ASN 77 H ASN 77 -3.287 8.960 -3.138 604 HA ASN 77 HA ASN 77 -3.368 9.472 -6.053 605 HB2 ASN 77 1HB ASN 77 -3.001 7.166 -5.044 606 HB3 ASN 77 2HB ASN 77 -4.667 7.207 -4.541 607 HD21 ASN 77 1HD2 ASN 77 -4.681 5.317 -5.930 608 HD22 ASN 77 2HD2 ASN 77 -4.937 5.418 -7.642 609 H GLU 78 H GLU 78 -4.558 11.358 -6.126 610 HA GLU 78 HA GLU 78 -6.850 11.921 -4.571 611 HB2 GLU 78 1HB GLU 78 -5.577 13.048 -7.058 612 HB3 GLU 78 2HB GLU 78 -7.171 13.629 -6.612 613 HG2 GLU 78 1HG GLU 78 -6.386 14.357 -4.423 614 HG3 GLU 78 2HG GLU 78 -4.807 13.621 -4.701 615 H LYS 79 H LYS 79 -6.535 9.848 -7.143 616 HA LYS 79 HA LYS 79 -9.211 9.712 -8.240 617 HB2 LYS 79 1HB LYS 79 -6.930 7.734 -7.896 618 HB3 LYS 79 2HB LYS 79 -8.484 7.168 -8.439 619 HG2 LYS 79 1HG LYS 79 -8.476 8.751 -10.316 620 HG3 LYS 79 2HG LYS 79 -6.851 9.284 -9.850 621 HD2 LYS 79 1HD LYS 79 -7.594 6.392 -10.485 622 HD3 LYS 79 2HD LYS 79 -7.015 7.503 -11.721 623 HE2 LYS 79 1HE LYS 79 -5.442 6.996 -9.184 624 HE3 LYS 79 2HE LYS 79 -5.320 5.905 -10.558 625 HZ1 LYS 79 3HZ LYS 79 -3.642 7.779 -10.479 626 HZ2 LYS 79 1HZ LYS 79 -4.461 7.521 -11.892 627 HZ3 LYS 79 2HZ LYS 79 -4.827 8.790 -10.879 628 H LEU 80 H LEU 80 -7.753 8.340 -5.246 629 HA LEU 80 HA LEU 80 -9.965 6.531 -4.764 630 HB2 LEU 80 1HB LEU 80 -7.715 7.538 -2.998 631 HB3 LEU 80 2HB LEU 80 -8.882 6.338 -2.484 632 HG LEU 80 HG LEU 80 -6.452 5.786 -3.529 633 HD11 LEU 80 1HD1 LEU 80 -7.774 4.304 -2.222 634 HD12 LEU 80 2HD1 LEU 80 -8.894 4.006 -3.590 635 HD13 LEU 80 3HD1 LEU 80 -7.183 3.485 -3.658 636 HD21 LEU 80 3HD2 LEU 80 -7.093 6.275 -5.913 637 HD22 LEU 80 1HD2 LEU 80 -6.726 4.569 -5.649 638 HD23 LEU 80 2HD2 LEU 80 -8.401 5.078 -5.768 639 H ASP 81 H ASP 81 -9.361 9.871 -4.058 640 HA ASP 81 HA ASP 81 -11.331 10.463 -2.104 641 HB2 ASP 81 1HB ASP 81 -9.448 11.884 -3.412 642 HB3 ASP 81 2HB ASP 81 -10.786 12.251 -4.477 643 H THR 82 H THR 82 -11.431 10.261 -5.715 644 HA THR 82 HA THR 82 -14.226 10.978 -5.780 645 HB THR 82 HB THR 82 -13.834 10.707 -8.277 646 HG1 THR 82 1HG THR 82 -11.663 9.430 -7.594 647 HG21 THR 82 3HG2 THR 82 -11.903 12.508 -6.746 648 HG22 THR 82 1HG2 THR 82 -12.381 12.696 -8.444 649 HG23 THR 82 2HG2 THR 82 -13.595 12.887 -7.179 650 H GLU 83 H GLU 83 -12.441 7.947 -5.892 651 HA GLU 83 HA GLU 83 -14.936 6.400 -6.385 652 HB2 GLU 83 1HB GLU 83 -12.475 5.979 -7.966 653 HB3 GLU 83 2HB GLU 83 -14.014 5.252 -8.287 654 HG2 GLU 83 1HG GLU 83 -13.499 8.239 -8.692 655 HG3 GLU 83 2HG GLU 83 -12.803 7.066 -9.754 656 HA PRO 84 HA PRO 84 -11.829 4.774 -3.123 657 HB2 PRO 84 1HB PRO 84 -14.044 3.684 -1.621 658 HB3 PRO 84 2HB PRO 84 -13.036 5.117 -1.267 659 HG2 PRO 84 1HG PRO 84 -15.747 4.979 -2.370 660 HG3 PRO 84 2HG PRO 84 -14.902 6.333 -1.564 661 HD2 PRO 84 1HD PRO 84 -15.377 6.211 -4.341 662 HD3 PRO 84 2HD PRO 84 -14.127 7.199 -3.531 663 H GLU 85 H GLU 85 -14.704 3.019 -4.501 664 HA GLU 85 HA GLU 85 -13.643 0.467 -4.034 665 HB2 GLU 85 1HB GLU 85 -15.274 -0.325 -5.708 666 HB3 GLU 85 2HB GLU 85 -15.926 0.699 -4.453 667 HG2 GLU 85 1HG GLU 85 -16.048 2.613 -6.008 668 HG3 GLU 85 2HG GLU 85 -15.307 1.655 -7.277 669 H LEU 86 H LEU 86 -11.984 2.651 -6.164 670 HA LEU 86 HA LEU 86 -11.525 0.945 -8.470 671 HB2 LEU 86 1HB LEU 86 -10.539 3.476 -7.381 672 HB3 LEU 86 2HB LEU 86 -9.187 2.504 -7.821 673 HG LEU 86 HG LEU 86 -11.233 3.785 -9.588 674 HD11 LEU 86 1HD1 LEU 86 -8.965 4.759 -9.213 675 HD12 LEU 86 2HD1 LEU 86 -8.235 3.277 -9.854 676 HD13 LEU 86 3HD1 LEU 86 -9.225 4.317 -10.909 677 HD21 LEU 86 3HD2 LEU 86 -11.526 1.577 -10.436 678 HD22 LEU 86 1HD2 LEU 86 -10.273 2.292 -11.492 679 HD23 LEU 86 2HD2 LEU 86 -9.822 1.178 -10.186 680 H ILE 87 H ILE 87 -10.319 0.920 -5.221 681 HA ILE 87 HA ILE 87 -7.970 -0.625 -5.678 682 HB ILE 87 HB ILE 87 -9.760 -0.783 -3.221 683 HG12 ILE 87 1HG1 ILE 87 -7.636 1.310 -3.860 684 HG13 ILE 87 2HG1 ILE 87 -9.363 1.609 -3.744 685 HG21 ILE 87 1HG2 ILE 87 -7.496 -1.106 -2.138 686 HG22 ILE 87 2HG2 ILE 87 -7.910 -2.405 -3.255 687 HG23 ILE 87 3HG2 ILE 87 -6.752 -1.132 -3.733 688 HD11 ILE 87 3HD1 ILE 87 -7.435 1.100 -1.506 689 HD12 ILE 87 1HD1 ILE 87 -8.672 2.360 -1.689 690 HD13 ILE 87 2HD1 ILE 87 -9.157 0.693 -1.313 691 H ASN 88 H ASN 88 -11.362 -1.475 -5.945 692 HA ASN 88 HA ASN 88 -10.986 -4.355 -5.869 693 HB2 ASN 88 1HB ASN 88 -13.193 -2.582 -7.023 694 HB3 ASN 88 2HB ASN 88 -13.180 -4.328 -7.118 695 HD21 ASN 88 1HD2 ASN 88 -13.027 -1.796 -4.585 696 HD22 ASN 88 2HD2 ASN 88 -13.963 -2.801 -3.429 697 H LYS 89 H LYS 89 -11.686 -1.898 -8.259 698 HA LYS 89 HA LYS 89 -11.709 -3.320 -10.587 699 HB2 LYS 89 1HB LYS 89 -11.684 -0.640 -9.759 700 HB3 LYS 89 2HB LYS 89 -10.598 -0.666 -11.030 701 HG2 LYS 89 1HG LYS 89 -13.417 -1.881 -11.187 702 HG3 LYS 89 2HG LYS 89 -13.020 -0.233 -11.584 703 HD2 LYS 89 1HD LYS 89 -13.103 -1.224 -13.664 704 HD3 LYS 89 2HD LYS 89 -11.366 -1.163 -13.324 705 HE2 LYS 89 1HE LYS 89 -11.524 -3.572 -12.530 706 HE3 LYS 89 2HE LYS 89 -13.236 -3.564 -12.947 707 HZ1 LYS 89 3HZ LYS 89 -12.513 -3.067 -15.246 708 HZ2 LYS 89 1HZ LYS 89 -10.942 -3.283 -14.777 709 HZ3 LYS 89 2HZ LYS 89 -12.031 -4.522 -14.699 710 H ASP 90 H ASP 90 -8.898 -1.955 -8.922 711 HA ASP 90 HA ASP 90 -7.229 -4.002 -9.919 712 HB2 ASP 90 1HB ASP 90 -7.355 -1.953 -11.751 713 HB3 ASP 90 2HB ASP 90 -5.967 -1.477 -10.864 714 HA PRO 91 HA PRO 91 -6.100 -1.996 -5.988 715 HB2 PRO 91 1HB PRO 91 -4.743 -4.313 -4.985 716 HB3 PRO 91 2HB PRO 91 -6.401 -3.789 -4.599 717 HG2 PRO 91 1HG PRO 91 -5.461 -5.952 -6.388 718 HG3 PRO 91 2HG PRO 91 -7.088 -5.689 -5.678 719 HD2 PRO 91 1HD PRO 91 -6.361 -5.263 -8.340 720 HD3 PRO 91 2HD PRO 91 -7.838 -4.668 -7.539 721 H GLU 92 H GLU 92 -4.034 -3.320 -8.491 722 HA GLU 92 HA GLU 92 -1.768 -1.929 -7.219 723 HB2 GLU 92 1HB GLU 92 -0.668 -3.722 -9.041 724 HB3 GLU 92 2HB GLU 92 -0.523 -3.647 -7.286 725 HG2 GLU 92 1HG GLU 92 -2.485 -5.226 -7.077 726 HG3 GLU 92 2HG GLU 92 -2.528 -5.303 -8.851 727 H GLY 93 H GLY 93 -3.755 -1.989 -10.054 728 HA2 GLY 93 1HA GLY 93 -1.856 -0.505 -11.672 729 HA3 GLY 93 2HA GLY 93 -3.583 -0.740 -12.014 730 H GLU 94 H GLU 94 -5.073 0.734 -11.273 731 HA GLU 94 HA GLU 94 -4.022 3.358 -10.556 732 HB2 GLU 94 1HB GLU 94 -6.649 2.296 -11.604 733 HB3 GLU 94 2HB GLU 94 -6.382 3.979 -11.252 734 HG2 GLU 94 1HG GLU 94 -4.566 2.501 -13.001 735 HG3 GLU 94 2HG GLU 94 -5.973 3.268 -13.611 736 H GLY 95 H GLY 95 -5.723 0.765 -8.921 737 HA2 GLY 95 1HA GLY 95 -6.863 2.411 -6.825 738 HA3 GLY 95 2HA GLY 95 -6.818 0.683 -6.888 739 H TRP 96 H TRP 96 -3.928 2.846 -7.006 740 HA TRP 96 HA TRP 96 -2.837 1.578 -4.576 741 HB2 TRP 96 1HB TRP 96 -0.923 3.057 -4.896 742 HB3 TRP 96 2HB TRP 96 -1.249 2.065 -6.304 743 HD1 TRP 96 HD TRP 96 -2.196 3.254 -8.473 744 HE1 TRP 96 1HE TRP 96 -1.877 5.622 -9.398 745 HE3 TRP 96 3HE TRP 96 -0.520 5.600 -4.242 746 HZ2 TRP 96 2HZ TRP 96 -1.282 8.241 -8.360 747 HZ3 TRP 96 3HZ TRP 96 -0.137 8.129 -4.272 748 HH2 TRP 96 HH TRP 96 -0.428 9.371 -6.353 749 H LEU 97 H LEU 97 -2.013 3.098 -2.821 750 HA LEU 97 HA LEU 97 -4.285 4.878 -2.053 751 HB2 LEU 97 1HB LEU 97 -2.118 3.584 -0.355 752 HB3 LEU 97 2HB LEU 97 -3.432 4.585 0.239 753 HG LEU 97 HG LEU 97 -4.289 2.171 -1.336 754 HD11 LEU 97 1HD1 LEU 97 -3.294 1.883 1.470 755 HD12 LEU 97 2HD1 LEU 97 -3.863 0.597 0.400 756 HD13 LEU 97 3HD1 LEU 97 -2.296 1.405 0.112 757 HD21 LEU 97 3HD2 LEU 97 -5.132 3.163 1.469 758 HD22 LEU 97 1HD2 LEU 97 -5.906 3.690 -0.048 759 HD23 LEU 97 2HD2 LEU 97 -5.969 1.991 0.461 760 H PHE 98 H PHE 98 -0.687 4.728 -1.503 761 HA PHE 98 HA PHE 98 -0.468 7.566 -2.209 762 HB2 PHE 98 1HB PHE 98 0.655 8.155 -0.139 763 HB3 PHE 98 2HB PHE 98 -0.981 7.632 0.162 764 HD1 PHE 98 1HD PHE 98 2.606 6.583 0.391 765 HD2 PHE 98 2HD PHE 98 -1.439 5.796 1.632 766 HE1 PHE 98 1HE PHE 98 3.443 5.053 2.159 767 HE2 PHE 98 2HE PHE 98 -0.561 4.281 3.439 768 HZ PHE 98 HZ PHE 98 1.839 3.886 3.652 769 H LYS 99 H LYS 99 1.969 8.222 -2.027 770 HA LYS 99 HA LYS 99 3.747 5.910 -2.562 771 HB2 LYS 99 1HB LYS 99 4.039 8.586 -3.952 772 HB3 LYS 99 2HB LYS 99 5.017 7.173 -4.141 773 HG2 LYS 99 1HG LYS 99 2.980 5.949 -5.053 774 HG3 LYS 99 2HG LYS 99 2.148 7.501 -5.038 775 HD2 LYS 99 1HD LYS 99 3.862 8.429 -6.552 776 HD3 LYS 99 2HD LYS 99 4.668 6.849 -6.623 777 HE2 LYS 99 1HE LYS 99 2.878 5.829 -7.772 778 HE3 LYS 99 2HE LYS 99 1.718 7.091 -7.299 779 HZ1 LYS 99 3HZ LYS 99 2.668 8.590 -8.751 780 HZ2 LYS 99 1HZ LYS 99 3.995 7.713 -9.056 781 HZ3 LYS 99 2HZ LYS 99 2.536 7.202 -9.666 782 H MET 100 H MET 100 5.925 6.281 -1.935 783 HA MET 100 HA MET 100 6.359 8.498 -0.028 784 HB2 MET 100 1HB MET 100 7.432 6.579 1.399 785 HB3 MET 100 2HB MET 100 5.734 7.024 1.555 786 HG2 MET 100 1HG MET 100 4.975 5.126 0.379 787 HG3 MET 100 2HG MET 100 6.538 4.718 -0.253 788 HE1 MET 100 3HE MET 100 5.951 5.883 3.418 789 HE2 MET 100 1HE MET 100 6.532 4.501 4.331 790 HE3 MET 100 2HE MET 100 7.664 5.412 3.304 791 H GLU 101 H GLU 101 8.420 9.079 0.258 792 HA GLU 101 HA GLU 101 10.347 8.347 -1.798 793 HB2 GLU 101 1HB GLU 101 9.737 10.683 -1.019 794 HB3 GLU 101 2HB GLU 101 10.563 10.338 0.504 795 HG2 GLU 101 1HG GLU 101 12.692 10.007 -0.730 796 HG3 GLU 101 2HG GLU 101 11.839 10.158 -2.268 797 H ILE 102 H ILE 102 11.693 6.691 -1.454 798 HA ILE 102 HA ILE 102 11.595 5.303 1.081 799 HB ILE 102 HB ILE 102 13.095 3.648 -0.156 800 HG12 ILE 102 1HG1 ILE 102 12.165 4.994 -2.676 801 HG13 ILE 102 2HG1 ILE 102 13.749 5.403 -2.001 802 HG21 ILE 102 1HG2 ILE 102 11.171 2.710 -1.324 803 HG22 ILE 102 2HG2 ILE 102 10.600 3.478 0.167 804 HG23 ILE 102 3HG2 ILE 102 10.382 4.311 -1.384 805 HD11 ILE 102 3HD1 ILE 102 12.866 2.587 -2.769 806 HD12 ILE 102 1HD1 ILE 102 13.891 3.662 -3.743 807 HD13 ILE 102 2HD1 ILE 102 14.454 3.092 -2.157 808 H SER 103 H SER 103 12.700 6.076 2.736 809 HA SER 103 HA SER 103 15.277 7.399 2.595 810 HB2 SER 103 1HB SER 103 13.501 6.266 4.743 811 HB3 SER 103 2HB SER 103 15.220 6.449 5.111 812 HG SER 103 HG SER 103 15.135 8.506 4.960 813 H ASP 104 H ASP 104 14.300 3.981 2.884 814 HA ASP 104 HA ASP 104 17.161 3.200 2.847 815 HB2 ASP 104 1HB ASP 104 15.091 2.589 4.981 816 HB3 ASP 104 2HB ASP 104 16.400 1.449 4.613 817 H GLU 105 H GLU 105 17.029 2.436 0.732 818 HA GLU 105 HA GLU 105 15.036 0.574 -0.116 819 HB2 GLU 105 1HB GLU 105 15.985 1.626 -1.894 820 HB3 GLU 105 2HB GLU 105 17.482 1.945 -1.064 821 HG2 GLU 105 1HG GLU 105 18.138 -0.431 -1.378 822 HG3 GLU 105 2HG GLU 105 16.761 -0.605 -2.490 823 H GLY 106 H GLY 106 17.573 0.478 2.107 824 HA2 GLY 106 1HA GLY 106 18.464 -2.279 1.822 825 HA3 GLY 106 2HA GLY 106 18.691 -1.221 3.239 826 H GLU 107 H GLU 107 15.743 -0.596 3.465 827 HA GLU 107 HA GLU 107 15.018 -2.901 5.091 828 HB2 GLU 107 1HB GLU 107 13.677 -0.252 4.434 829 HB3 GLU 107 2HB GLU 107 12.882 -1.522 5.368 830 HG2 GLU 107 1HG GLU 107 14.754 -1.422 7.022 831 HG3 GLU 107 2HG GLU 107 15.368 0.001 6.177 832 H LEU 108 H LEU 108 14.791 -2.338 1.711 833 HA LEU 108 HA LEU 108 12.134 -3.395 1.245 834 HB2 LEU 108 1HB LEU 108 14.548 -3.605 -0.584 835 HB3 LEU 108 2HB LEU 108 12.872 -3.870 -1.023 836 HG LEU 108 HG LEU 108 14.262 -1.288 -0.505 837 HD11 LEU 108 1HD1 LEU 108 12.617 -2.322 -2.825 838 HD12 LEU 108 2HD1 LEU 108 13.496 -0.755 -2.753 839 HD13 LEU 108 3HD1 LEU 108 14.397 -2.264 -2.732 840 HD21 LEU 108 3HD2 LEU 108 12.405 -0.847 0.686 841 HD22 LEU 108 1HD2 LEU 108 12.118 -0.102 -0.872 842 HD23 LEU 108 2HD2 LEU 108 11.309 -1.655 -0.490 843 H GLU 109 H GLU 109 15.242 -4.840 1.977 844 HA GLU 109 HA GLU 109 14.714 -7.314 0.619 845 HB2 GLU 109 1HB GLU 109 16.853 -6.520 2.638 846 HB3 GLU 109 2HB GLU 109 16.858 -7.973 1.635 847 HG2 GLU 109 1HG GLU 109 16.769 -6.479 -0.418 848 HG3 GLU 109 2HG GLU 109 16.905 -5.079 0.639 849 H ASP 110 H ASP 110 14.228 -6.131 3.804 850 HA ASP 110 HA ASP 110 13.687 -8.507 5.317 851 HB2 ASP 110 1HB ASP 110 14.423 -6.311 6.179 852 HB3 ASP 110 2HB ASP 110 12.952 -5.560 5.588 853 H LEU 111 H LEU 111 11.906 -6.761 2.955 854 HA LEU 111 HA LEU 111 9.162 -7.506 3.772 855 HB2 LEU 111 1HB LEU 111 10.241 -6.518 1.103 856 HB3 LEU 111 2HB LEU 111 8.586 -6.508 1.632 857 HG LEU 111 HG LEU 111 10.776 -4.728 2.707 858 HD11 LEU 111 1HD1 LEU 111 9.331 -2.973 1.712 859 HD12 LEU 111 2HD1 LEU 111 9.954 -4.100 0.497 860 HD13 LEU 111 3HD1 LEU 111 8.264 -4.231 1.054 861 HD21 LEU 111 3HD2 LEU 111 7.858 -4.983 3.535 862 HD22 LEU 111 1HD2 LEU 111 9.284 -5.282 4.551 863 HD23 LEU 111 2HD2 LEU 111 8.939 -3.651 3.992 864 H LEU 112 H LEU 112 8.054 -8.431 1.508 865 HA LEU 112 HA LEU 112 9.183 -11.174 1.461 866 HB2 LEU 112 1HB LEU 112 6.365 -10.180 0.979 867 HB3 LEU 112 2HB LEU 112 6.887 -11.855 1.106 868 HG LEU 112 HG LEU 112 6.991 -9.781 3.347 869 HD11 LEU 112 1HD1 LEU 112 4.743 -10.493 2.603 870 HD12 LEU 112 2HD1 LEU 112 5.165 -12.172 3.043 871 HD13 LEU 112 3HD1 LEU 112 5.157 -10.880 4.271 872 HD21 LEU 112 3HD2 LEU 112 7.632 -12.769 3.407 873 HD22 LEU 112 1HD2 LEU 112 8.767 -11.422 3.686 874 HD23 LEU 112 2HD2 LEU 112 7.464 -11.716 4.832 875 H ASP 113 H ASP 113 9.801 -12.003 -0.362 876 HA ASP 113 HA ASP 113 9.353 -10.934 -3.018 877 HB2 ASP 113 1HB ASP 113 9.888 -13.761 -2.026 878 HB3 ASP 113 2HB ASP 113 9.837 -13.301 -3.708 879 H GLU 114 H GLU 114 7.956 -12.254 -4.530 880 HA GLU 114 HA GLU 114 5.225 -12.050 -3.631 881 HB2 GLU 114 1HB GLU 114 6.086 -11.525 -5.958 882 HB3 GLU 114 2HB GLU 114 6.271 -13.264 -6.226 883 HG2 GLU 114 1HG GLU 114 3.878 -13.631 -5.864 884 HG3 GLU 114 2HG GLU 114 3.641 -11.962 -5.335 885 H GLN 115 H GLN 115 7.358 -14.829 -4.620 886 HA GLN 115 HA GLN 115 5.435 -16.794 -4.140 887 HB2 GLN 115 1HB GLN 115 7.850 -16.851 -5.263 888 HB3 GLN 115 2HB GLN 115 8.369 -17.335 -3.633 889 HG2 GLN 115 1HG GLN 115 6.480 -19.053 -3.713 890 HG3 GLN 115 2HG GLN 115 6.262 -18.629 -5.408 891 HE21 GLN 115 1HE2 GLN 115 7.850 -20.774 -3.270 892 HE22 GLN 115 2HE2 GLN 115 9.017 -21.371 -4.453 893 H ALA 116 H ALA 116 7.600 -15.128 -1.894 894 HA ALA 116 HA ALA 116 7.060 -16.799 0.414 895 HB1 ALA 116 1HB ALA 116 8.020 -14.876 1.655 896 HB2 ALA 116 2HB ALA 116 9.070 -15.390 0.320 897 HB3 ALA 116 3HB ALA 116 8.077 -13.926 0.169 898 H TYR 117 H TYR 117 5.690 -13.735 -0.959 899 HA TYR 117 HA TYR 117 3.827 -13.380 1.211 900 HB2 TYR 117 1HB TYR 117 4.444 -11.526 -0.123 901 HB3 TYR 117 2HB TYR 117 3.968 -12.317 -1.621 902 HD1 TYR 117 1HD TYR 117 2.356 -11.528 1.715 903 HD2 TYR 117 2HD TYR 117 2.003 -11.515 -2.594 904 HE1 TYR 117 1HE TYR 117 0.004 -10.859 1.920 905 HE2 TYR 117 2HE TYR 117 -0.329 -10.804 -2.416 906 HH TYR 117 HH TYR 117 -2.045 -10.936 0.691 907 H GLN 118 H GLN 118 3.627 -15.191 -1.811 908 HA GLN 118 HA GLN 118 0.912 -16.036 -1.740 909 HB2 GLN 118 1HB GLN 118 1.787 -16.831 -3.676 910 HB3 GLN 118 2HB GLN 118 3.430 -16.752 -3.086 911 HG2 GLN 118 1HG GLN 118 3.169 -18.986 -2.009 912 HG3 GLN 118 2HG GLN 118 1.535 -19.064 -2.648 913 HE21 GLN 118 1HE2 GLN 118 4.525 -20.336 -3.065 914 HE22 GLN 118 2HE2 GLN 118 4.395 -20.682 -4.782 915 H GLU 119 H GLU 119 3.784 -17.613 -0.387 916 HA GLU 119 HA GLU 119 2.459 -19.702 0.855 917 HB2 GLU 119 1HB GLU 119 5.087 -18.889 0.487 918 HB3 GLU 119 2HB GLU 119 4.937 -18.757 2.234 919 HG2 GLU 119 1HG GLU 119 4.093 -21.111 2.319 920 HG3 GLU 119 2HG GLU 119 4.262 -21.217 0.557 921 H PHE 120 H PHE 120 3.505 -16.598 2.237 922 HA PHE 120 HA PHE 120 2.585 -16.886 4.869 923 HB2 PHE 120 1HB PHE 120 3.920 -14.993 4.109 924 HB3 PHE 120 2HB PHE 120 2.607 -14.430 3.080 925 HD1 PHE 120 1HD PHE 120 3.181 -15.440 6.675 926 HD2 PHE 120 2HD PHE 120 1.169 -12.771 3.945 927 HE1 PHE 120 1HE PHE 120 2.029 -14.392 8.569 928 HE2 PHE 120 2HE PHE 120 0.096 -11.662 5.853 929 HZ PHE 120 HZ PHE 120 0.524 -12.432 8.186 930 H CYS 121 H CYS 121 0.727 -15.728 2.003 931 HA CYS 121 HA CYS 121 -1.660 -15.200 3.422 932 HB2 CYS 121 1HB CYS 121 -0.909 -14.614 0.975 933 HB3 CYS 121 2HB CYS 121 -1.583 -16.188 0.556 934 HG CYS 121 HG CYS 121 -3.944 -15.835 1.453 935 H ALA 122 H ALA 122 -0.407 -18.224 2.103 936 HA ALA 122 HA ALA 122 -2.872 -19.739 2.214 937 HB1 ALA 122 1HB ALA 122 -1.451 -21.668 1.884 938 HB2 ALA 122 2HB ALA 122 -0.835 -20.355 0.854 939 HB3 ALA 122 3HB ALA 122 -0.006 -20.777 2.373 940 H GLN 123 H GLN 123 -0.528 -18.719 4.601 941 HA GLN 123 HA GLN 123 -1.261 -20.810 6.540 942 HB2 GLN 123 1HB GLN 123 0.798 -18.565 6.554 943 HB3 GLN 123 2HB GLN 123 0.633 -19.777 7.803 944 HG2 GLN 123 1HG GLN 123 0.932 -21.001 5.108 945 HG3 GLN 123 2HG GLN 123 2.262 -19.932 5.535 946 HE21 GLN 123 1HE2 GLN 123 1.138 -23.129 5.887 947 HE22 GLN 123 2HE2 GLN 123 2.201 -23.549 7.229 948 H GLU 124 H GLU 124 -2.553 -17.836 5.680 949 HA GLU 124 HA GLU 124 -3.014 -16.905 8.470 950 HB2 GLU 124 1HB GLU 124 -3.407 -15.655 5.733 951 HB3 GLU 124 2HB GLU 124 -4.033 -14.916 7.212 952 HG2 GLU 124 1HG GLU 124 -1.093 -15.657 6.869 953 HG3 GLU 124 2HG GLU 124 -1.757 -14.101 6.400 Start of MODEL 4 1 H1 MET 1 H MET 1 16.117 1.252 -7.266 2 HA MET 1 HA MET 1 16.563 0.025 -9.914 3 HB2 MET 1 1HB MET 1 17.785 -1.078 -7.881 4 HB3 MET 1 2HB MET 1 16.179 -1.614 -7.400 5 HG2 MET 1 1HG MET 1 16.853 -3.412 -8.651 6 HG3 MET 1 2HG MET 1 16.000 -2.482 -9.876 7 HE1 MET 1 3HE MET 1 20.518 -3.287 -9.504 8 HE2 MET 1 1HE MET 1 19.586 -2.599 -8.154 9 HE3 MET 1 2HE MET 1 19.185 -4.215 -8.778 10 H LYS 2 H LYS 2 14.618 -0.407 -10.977 11 HA LYS 2 HA LYS 2 12.042 -0.231 -9.651 12 HB2 LYS 2 1HB LYS 2 12.966 -0.502 -12.310 13 HB3 LYS 2 2HB LYS 2 12.094 -1.979 -12.003 14 HG2 LYS 2 1HG LYS 2 10.984 0.807 -11.642 15 HG3 LYS 2 2HG LYS 2 10.756 -0.174 -13.066 16 HD2 LYS 2 1HD LYS 2 9.951 -1.579 -10.555 17 HD3 LYS 2 2HD LYS 2 9.058 -0.103 -10.875 18 HE2 LYS 2 1HE LYS 2 7.857 -1.933 -11.853 19 HE3 LYS 2 2HE LYS 2 8.467 -0.879 -13.124 20 HZ1 LYS 2 3HZ LYS 2 9.572 -3.521 -12.388 21 HZ2 LYS 2 1HZ LYS 2 8.768 -3.106 -13.749 22 HZ3 LYS 2 2HZ LYS 2 10.249 -2.496 -13.506 23 H MET 3 H MET 3 11.283 -1.808 -8.197 24 HA MET 3 HA MET 3 11.886 -4.604 -8.509 25 HB2 MET 3 1HB MET 3 14.039 -3.658 -7.655 26 HB3 MET 3 2HB MET 3 13.155 -2.879 -6.326 27 HG2 MET 3 1HG MET 3 12.598 -4.907 -5.377 28 HG3 MET 3 2HG MET 3 13.022 -5.852 -6.823 29 HE1 MET 3 3HE MET 3 14.506 -3.396 -4.203 30 HE2 MET 3 1HE MET 3 16.244 -3.741 -4.282 31 HE3 MET 3 2HE MET 3 15.443 -2.967 -5.651 32 H LYS 4 H LYS 4 10.675 -5.761 -6.526 33 HA LYS 4 HA LYS 4 8.645 -4.002 -5.363 34 HB2 LYS 4 1HB LYS 4 7.816 -4.076 -7.548 35 HB3 LYS 4 2HB LYS 4 8.138 -5.798 -7.728 36 HG2 LYS 4 1HG LYS 4 6.226 -6.439 -6.589 37 HG3 LYS 4 2HG LYS 4 6.089 -4.923 -5.689 38 HD2 LYS 4 1HD LYS 4 5.383 -3.696 -7.602 39 HD3 LYS 4 2HD LYS 4 5.824 -4.990 -8.725 40 HE2 LYS 4 1HE LYS 4 3.642 -5.275 -6.612 41 HE3 LYS 4 2HE LYS 4 3.350 -4.687 -8.254 42 HZ1 LYS 4 3HZ LYS 4 2.911 -6.983 -8.128 43 HZ2 LYS 4 1HZ LYS 4 4.249 -6.804 -9.079 44 HZ3 LYS 4 2HZ LYS 4 4.370 -7.361 -7.520 45 H LYS 5 H LYS 5 9.072 -4.723 -3.334 46 HA LYS 5 HA LYS 5 8.391 -7.563 -2.810 47 HB2 LYS 5 1HB LYS 5 9.322 -5.440 -0.934 48 HB3 LYS 5 2HB LYS 5 9.109 -7.090 -0.455 49 HG2 LYS 5 1HG LYS 5 10.930 -6.801 -2.795 50 HG3 LYS 5 2HG LYS 5 11.500 -6.061 -1.294 51 HD2 LYS 5 1HD LYS 5 11.219 -8.279 -0.167 52 HD3 LYS 5 2HD LYS 5 10.792 -8.963 -1.761 53 HE2 LYS 5 1HE LYS 5 12.961 -8.132 -2.680 54 HE3 LYS 5 2HE LYS 5 13.362 -7.479 -1.092 55 HZ1 LYS 5 3HZ LYS 5 14.457 -9.495 -1.288 56 HZ2 LYS 5 1HZ LYS 5 13.264 -9.783 -0.241 57 HZ3 LYS 5 2HZ LYS 5 13.116 -10.335 -1.799 58 H TYR 6 H TYR 6 7.212 -7.694 -0.538 59 HA TYR 6 HA TYR 6 4.570 -6.336 -0.737 60 HB2 TYR 6 1HB TYR 6 5.290 -9.274 -0.460 61 HB3 TYR 6 2HB TYR 6 3.651 -8.646 -0.335 62 HD1 TYR 6 1HD TYR 6 6.527 -9.126 -2.678 63 HD2 TYR 6 2HD TYR 6 2.319 -8.284 -2.263 64 HE1 TYR 6 1HE TYR 6 6.291 -9.197 -5.126 65 HE2 TYR 6 2HE TYR 6 2.030 -8.528 -4.692 66 HH TYR 6 HH TYR 6 3.112 -9.379 -6.623 67 H THR 7 H THR 7 3.204 -7.022 1.376 68 HA THR 7 HA THR 7 4.942 -7.117 3.743 69 HB THR 7 HB THR 7 3.174 -5.715 4.752 70 HG1 THR 7 1HG THR 7 1.567 -4.875 3.473 71 HG21 THR 7 3HG2 THR 7 5.082 -4.539 3.617 72 HG22 THR 7 1HG2 THR 7 4.091 -4.432 2.135 73 HG23 THR 7 2HG2 THR 7 3.560 -3.625 3.621 74 H LYS 8 H LYS 8 3.509 -7.812 5.579 75 HA LYS 8 HA LYS 8 1.859 -10.194 4.923 76 HB2 LYS 8 1HB LYS 8 2.605 -9.016 7.645 77 HB3 LYS 8 2HB LYS 8 1.465 -10.296 7.407 78 HG2 LYS 8 1HG LYS 8 3.137 -11.741 7.524 79 HG3 LYS 8 2HG LYS 8 3.645 -11.231 5.936 80 HD2 LYS 8 1HD LYS 8 4.572 -10.184 8.638 81 HD3 LYS 8 2HD LYS 8 5.483 -11.245 7.559 82 HE2 LYS 8 1HE LYS 8 5.542 -9.473 5.832 83 HE3 LYS 8 2HE LYS 8 4.535 -8.464 6.868 84 HZ1 LYS 8 3HZ LYS 8 6.622 -7.662 7.377 85 HZ2 LYS 8 1HZ LYS 8 6.518 -8.839 8.518 86 HZ3 LYS 8 2HZ LYS 8 7.385 -9.087 7.161 87 H THR 9 H THR 9 1.476 -6.771 6.046 88 HA THR 9 HA THR 9 -1.337 -7.038 6.456 89 HB THR 9 HB THR 9 -0.992 -4.485 6.698 90 HG1 THR 9 1HG THR 9 0.942 -4.201 5.630 91 HG21 THR 9 3HG2 THR 9 -1.066 -6.064 8.618 92 HG22 THR 9 1HG2 THR 9 0.650 -6.437 8.408 93 HG23 THR 9 2HG2 THR 9 0.134 -4.810 8.887 94 H HIS 10 H HIS 10 -0.251 -7.820 3.791 95 HA HIS 10 HA HIS 10 -0.901 -7.942 1.715 96 HB2 HIS 10 1HB HIS 10 -3.576 -7.354 1.631 97 HB3 HIS 10 2HB HIS 10 -2.817 -8.863 1.992 98 HD1 HIS 10 1HD HIS 10 -4.896 -6.117 3.687 99 HD2 HIS 10 2HD HIS 10 -2.736 -9.654 4.626 100 HE1 HIS 10 1HE HIS 10 -5.743 -6.955 5.929 101 HE2 HIS 10 2HE HIS 10 -4.422 -9.042 6.542 102 H GLU 11 H GLU 11 0.596 -5.949 1.696 103 HA GLU 11 HA GLU 11 -0.632 -4.037 -0.166 104 HB2 GLU 11 1HB GLU 11 1.623 -3.376 1.773 105 HB3 GLU 11 2HB GLU 11 0.895 -2.328 0.590 106 HG2 GLU 11 1HG GLU 11 -0.506 -1.582 2.129 107 HG3 GLU 11 2HG GLU 11 -1.323 -3.119 2.061 108 H TRP 12 H TRP 12 0.555 -3.637 -1.989 109 HA TRP 12 HA TRP 12 3.031 -5.224 -2.474 110 HB2 TRP 12 1HB TRP 12 2.621 -4.592 -4.856 111 HB3 TRP 12 2HB TRP 12 1.395 -5.649 -4.180 112 HD1 TRP 12 HD TRP 12 -1.056 -4.773 -4.044 113 HE1 TRP 12 1HE TRP 12 -2.311 -2.754 -4.973 114 HE3 TRP 12 3HE TRP 12 2.957 -1.985 -5.605 115 HZ2 TRP 12 2HZ TRP 12 -1.669 -0.292 -6.311 116 HZ3 TRP 12 3HZ TRP 12 2.556 0.139 -6.837 117 HH2 TRP 12 HH TRP 12 0.282 0.985 -7.205 118 H VAL 13 H VAL 13 4.835 -3.984 -3.403 119 HA VAL 13 HA VAL 13 4.764 -1.065 -2.863 120 HB VAL 13 HB VAL 13 7.108 -2.911 -2.159 121 HG11 VAL 13 1HG1 VAL 13 7.634 -0.615 -2.284 122 HG12 VAL 13 2HG1 VAL 13 6.242 -0.139 -1.263 123 HG13 VAL 13 3HG1 VAL 13 7.606 -1.066 -0.601 124 HG21 VAL 13 3HG2 VAL 13 4.831 -2.126 -0.259 125 HG22 VAL 13 1HG2 VAL 13 5.242 -3.781 -0.756 126 HG23 VAL 13 2HG2 VAL 13 6.380 -2.869 0.219 127 H SER 14 H SER 14 4.874 -0.374 -5.005 128 HA SER 14 HA SER 14 6.705 -1.693 -6.945 129 HB2 SER 14 1HB SER 14 4.585 0.408 -6.998 130 HB3 SER 14 2HB SER 14 5.888 0.611 -8.129 131 HG SER 14 HG SER 14 4.412 -0.648 -9.152 132 H ILE 15 H ILE 15 8.809 -1.263 -5.888 133 HA ILE 15 HA ILE 15 9.553 1.551 -5.504 134 HB ILE 15 HB ILE 15 11.338 -0.924 -5.604 135 HG12 ILE 15 1HG1 ILE 15 11.401 -0.045 -3.029 136 HG13 ILE 15 2HG1 ILE 15 9.786 0.432 -3.435 137 HG21 ILE 15 1HG2 ILE 15 11.839 1.969 -4.744 138 HG22 ILE 15 2HG2 ILE 15 12.972 0.618 -4.529 139 HG23 ILE 15 3HG2 ILE 15 12.555 1.155 -6.157 140 HD11 ILE 15 3HD1 ILE 15 9.081 -1.788 -3.870 141 HD12 ILE 15 1HD1 ILE 15 10.743 -2.379 -3.902 142 HD13 ILE 15 2HD1 ILE 15 10.018 -1.830 -2.370 143 H GLU 16 H GLU 16 10.360 2.827 -7.059 144 HA GLU 16 HA GLU 16 10.743 1.627 -9.763 145 HB2 GLU 16 1HB GLU 16 8.634 2.877 -9.557 146 HB3 GLU 16 2HB GLU 16 9.536 4.331 -9.080 147 HG2 GLU 16 1HG GLU 16 10.776 4.224 -11.261 148 HG3 GLU 16 2HG GLU 16 9.859 2.780 -11.692 149 H ASP 17 H ASP 17 11.414 4.722 -8.174 150 HA ASP 17 HA ASP 17 14.199 4.659 -9.291 151 HB2 ASP 17 1HB ASP 17 12.206 6.936 -9.067 152 HB3 ASP 17 2HB ASP 17 13.934 7.190 -9.326 153 H LYS 18 H LYS 18 12.718 6.959 -7.001 154 HA LYS 18 HA LYS 18 14.187 5.677 -4.725 155 HB2 LYS 18 1HB LYS 18 13.817 8.687 -4.999 156 HB3 LYS 18 2HB LYS 18 14.676 7.804 -3.759 157 HG2 LYS 18 1HG LYS 18 16.385 8.647 -4.986 158 HG3 LYS 18 2HG LYS 18 16.291 6.987 -5.556 159 HD2 LYS 18 1HD LYS 18 16.744 8.563 -7.373 160 HD3 LYS 18 2HD LYS 18 15.186 7.807 -7.636 161 HE2 LYS 18 1HE LYS 18 14.122 9.885 -6.533 162 HE3 LYS 18 2HE LYS 18 15.746 10.581 -6.544 163 HZ1 LYS 18 3HZ LYS 18 14.043 9.892 -8.840 164 HZ2 LYS 18 1HZ LYS 18 14.723 11.344 -8.465 165 HZ3 LYS 18 2HZ LYS 18 15.691 10.147 -9.001 166 H VAL 19 H VAL 19 11.324 5.732 -5.905 167 HA VAL 19 HA VAL 19 9.923 6.422 -3.428 168 HB VAL 19 HB VAL 19 9.242 7.254 -6.281 169 HG11 VAL 19 1HG1 VAL 19 7.146 6.484 -5.204 170 HG12 VAL 19 2HG1 VAL 19 7.461 7.591 -3.838 171 HG13 VAL 19 3HG1 VAL 19 7.170 8.231 -5.457 172 HG21 VAL 19 3HG2 VAL 19 10.720 8.854 -5.121 173 HG22 VAL 19 1HG2 VAL 19 9.096 9.533 -5.262 174 HG23 VAL 19 2HG2 VAL 19 9.625 8.874 -3.716 175 H ALA 20 H ALA 20 8.154 5.018 -3.086 176 HA ALA 20 HA ALA 20 7.822 2.781 -5.001 177 HB1 ALA 20 1HB ALA 20 7.270 2.455 -2.040 178 HB2 ALA 20 2HB ALA 20 7.469 1.208 -3.294 179 HB3 ALA 20 3HB ALA 20 8.867 2.149 -2.728 180 H THR 21 H THR 21 5.728 2.438 -5.578 181 HA THR 21 HA THR 21 3.620 4.185 -4.420 182 HB THR 21 HB THR 21 3.449 2.247 -6.768 183 HG1 THR 21 1HG THR 21 4.263 3.746 -7.961 184 HG21 THR 21 3HG2 THR 21 1.476 3.704 -7.370 185 HG22 THR 21 1HG2 THR 21 1.270 2.824 -5.848 186 HG23 THR 21 2HG2 THR 21 1.672 4.552 -5.825 187 H VAL 22 H VAL 22 2.285 3.356 -2.927 188 HA VAL 22 HA VAL 22 2.212 0.429 -2.437 189 HB VAL 22 HB VAL 22 1.303 2.689 -0.616 190 HG11 VAL 22 1HG1 VAL 22 1.596 1.014 1.169 191 HG12 VAL 22 2HG1 VAL 22 0.445 0.445 -0.033 192 HG13 VAL 22 3HG1 VAL 22 2.096 -0.201 -0.038 193 HG21 VAL 22 3HG2 VAL 22 4.071 1.446 -0.847 194 HG22 VAL 22 1HG2 VAL 22 3.629 3.166 -0.964 195 HG23 VAL 22 2HG2 VAL 22 3.505 2.345 0.582 196 H GLY 23 H GLY 23 0.316 -0.703 -2.547 197 HA2 GLY 23 1HA GLY 23 -2.279 0.559 -2.302 198 HA3 GLY 23 2HA GLY 23 -2.022 -0.309 -3.798 199 H ILE 24 H ILE 24 -3.932 -1.422 -2.097 200 HA ILE 24 HA ILE 24 -2.549 -3.526 -0.555 201 HB ILE 24 HB ILE 24 -4.762 -4.304 0.161 202 HG12 ILE 24 1HG1 ILE 24 -5.957 -1.694 -0.785 203 HG13 ILE 24 2HG1 ILE 24 -6.036 -3.141 -1.797 204 HG21 ILE 24 1HG2 ILE 24 -4.098 -1.393 0.803 205 HG22 ILE 24 2HG2 ILE 24 -5.056 -2.483 1.813 206 HG23 ILE 24 3HG2 ILE 24 -3.366 -2.833 1.538 207 HD11 ILE 24 3HD1 ILE 24 -6.997 -3.221 1.095 208 HD12 ILE 24 1HD1 ILE 24 -8.053 -2.743 -0.226 209 HD13 ILE 24 2HD1 ILE 24 -7.337 -4.346 -0.232 210 H THR 25 H THR 25 -2.992 -5.803 -0.958 211 HA THR 25 HA THR 25 -3.042 -6.382 -3.825 212 HB THR 25 HB THR 25 -2.647 -8.735 -2.923 213 HG1 THR 25 1HG THR 25 -3.636 -8.017 -0.784 214 HG21 THR 25 3HG2 THR 25 -0.787 -7.219 -3.545 215 HG22 THR 25 1HG2 THR 25 -0.793 -6.522 -1.907 216 HG23 THR 25 2HG2 THR 25 -0.355 -8.220 -2.153 217 H ASN 26 H ASN 26 -4.345 -8.273 -4.726 218 HA ASN 26 HA ASN 26 -7.127 -7.863 -4.627 219 HB2 ASN 26 1HB ASN 26 -6.006 -9.077 -6.456 220 HB3 ASN 26 2HB ASN 26 -5.675 -10.431 -5.373 221 HD21 ASN 26 1HD2 ASN 26 -8.201 -8.826 -7.357 222 HD22 ASN 26 2HD2 ASN 26 -9.372 -10.073 -7.052 223 H HIS 27 H HIS 27 -5.259 -10.352 -2.798 224 HA HIS 27 HA HIS 27 -7.379 -11.645 -1.531 225 HB2 HIS 27 1HB HIS 27 -4.847 -12.127 -1.515 226 HB3 HIS 27 2HB HIS 27 -4.742 -11.040 -0.144 227 HD1 HIS 27 1HD HIS 27 -5.666 -14.545 -1.106 228 HD2 HIS 27 2HD HIS 27 -6.080 -11.958 2.179 229 HE1 HIS 27 1HE HIS 27 -5.980 -16.055 0.984 230 HE2 HIS 27 2HE HIS 27 -6.126 -14.462 3.010 231 H ALA 28 H ALA 28 -6.718 -8.337 -1.141 232 HA ALA 28 HA ALA 28 -7.865 -8.215 1.608 233 HB1 ALA 28 1HB ALA 28 -5.710 -7.280 1.430 234 HB2 ALA 28 2HB ALA 28 -6.188 -6.260 0.049 235 HB3 ALA 28 3HB ALA 28 -6.902 -5.979 1.662 236 H GLN 29 H GLN 29 -8.205 -6.633 -1.717 237 HA GLN 29 HA GLN 29 -10.674 -5.425 -0.957 238 HB2 GLN 29 1HB GLN 29 -11.145 -5.232 -3.349 239 HB3 GLN 29 2HB GLN 29 -9.560 -4.654 -2.866 240 HG2 GLN 29 1HG GLN 29 -9.143 -5.642 -4.863 241 HG3 GLN 29 2HG GLN 29 -8.649 -6.864 -3.730 242 HE21 GLN 29 1HE2 GLN 29 -9.768 -8.899 -3.831 243 HE22 GLN 29 2HE2 GLN 29 -11.105 -9.149 -4.967 244 H GLU 30 H GLU 30 -9.919 -8.858 -1.729 245 HA GLU 30 HA GLU 30 -12.451 -9.813 -2.253 246 HB2 GLU 30 1HB GLU 30 -9.833 -10.762 -1.229 247 HB3 GLU 30 2HB GLU 30 -11.191 -11.747 -0.802 248 HG2 GLU 30 1HG GLU 30 -10.624 -10.898 -3.667 249 HG3 GLU 30 2HG GLU 30 -9.972 -12.329 -2.925 250 H GLN 31 H GLN 31 -10.954 -8.838 0.876 251 HA GLN 31 HA GLN 31 -13.006 -10.291 2.384 252 HB2 GLN 31 1HB GLN 31 -10.914 -8.397 3.485 253 HB3 GLN 31 2HB GLN 31 -11.858 -9.624 4.347 254 HG2 GLN 31 1HG GLN 31 -9.700 -10.102 2.294 255 HG3 GLN 31 2HG GLN 31 -9.572 -10.388 4.025 256 HE21 GLN 31 1HE2 GLN 31 -9.646 -12.139 1.286 257 HE22 GLN 31 2HE2 GLN 31 -10.503 -13.515 1.860 258 H LEU 32 H LEU 32 -12.630 -7.062 1.081 259 HA LEU 32 HA LEU 32 -14.664 -5.994 2.978 260 HB2 LEU 32 1HB LEU 32 -12.717 -4.584 1.102 261 HB3 LEU 32 2HB LEU 32 -13.971 -3.793 2.044 262 HG LEU 32 HG LEU 32 -11.542 -5.262 3.138 263 HD11 LEU 32 1HD1 LEU 32 -11.224 -2.951 4.254 264 HD12 LEU 32 2HD1 LEU 32 -10.894 -3.059 2.503 265 HD13 LEU 32 3HD1 LEU 32 -12.405 -2.357 3.106 266 HD21 LEU 32 3HD2 LEU 32 -13.938 -4.145 4.596 267 HD22 LEU 32 1HD2 LEU 32 -13.295 -5.809 4.682 268 HD23 LEU 32 2HD2 LEU 32 -12.392 -4.467 5.393 269 H GLY 33 H GLY 33 -14.080 -6.651 -0.489 270 HA2 GLY 33 1HA GLY 33 -15.502 -6.646 -2.247 271 HA3 GLY 33 2HA GLY 33 -16.876 -6.584 -1.126 272 H ASP 34 H ASP 34 -18.024 -4.796 -1.330 273 HA ASP 34 HA ASP 34 -17.174 -2.502 -2.880 274 HB2 ASP 34 1HB ASP 34 -19.629 -3.087 -1.192 275 HB3 ASP 34 2HB ASP 34 -19.316 -1.489 -1.879 276 H VAL 35 H VAL 35 -15.795 -1.070 -2.177 277 HA VAL 35 HA VAL 35 -15.931 -0.217 0.653 278 HB VAL 35 HB VAL 35 -13.781 0.862 -1.138 279 HG11 VAL 35 1HG1 VAL 35 -13.641 0.084 1.815 280 HG12 VAL 35 2HG1 VAL 35 -12.708 1.300 0.950 281 HG13 VAL 35 3HG1 VAL 35 -14.398 1.591 1.356 282 HG21 VAL 35 3HG2 VAL 35 -12.228 -0.856 -0.207 283 HG22 VAL 35 1HG2 VAL 35 -13.640 -1.791 0.346 284 HG23 VAL 35 2HG2 VAL 35 -13.368 -1.515 -1.402 285 H VAL 36 H VAL 36 -15.139 2.387 0.165 286 HA VAL 36 HA VAL 36 -17.442 3.726 -0.978 287 HB VAL 36 HB VAL 36 -17.913 1.975 1.009 288 HG11 VAL 36 1HG1 VAL 36 -18.111 2.754 3.164 289 HG12 VAL 36 2HG1 VAL 36 -16.450 2.749 2.570 290 HG13 VAL 36 3HG1 VAL 36 -17.330 4.298 2.747 291 HG21 VAL 36 3HG2 VAL 36 -19.959 3.123 1.594 292 HG22 VAL 36 1HG2 VAL 36 -19.310 4.665 0.961 293 HG23 VAL 36 2HG2 VAL 36 -19.637 3.299 -0.147 294 H TYR 37 H TYR 37 -14.719 3.454 1.358 295 HA TYR 37 HA TYR 37 -14.011 6.256 0.674 296 HB2 TYR 37 1HB TYR 37 -15.529 6.204 2.696 297 HB3 TYR 37 2HB TYR 37 -14.349 5.188 3.510 298 HD1 TYR 37 1HD TYR 37 -14.253 8.410 1.508 299 HD2 TYR 37 2HD TYR 37 -12.928 6.264 5.019 300 HE1 TYR 37 1HE TYR 37 -12.899 10.333 2.174 301 HE2 TYR 37 2HE TYR 37 -11.561 8.198 5.696 302 HH TYR 37 HH TYR 37 -10.919 10.356 5.183 303 H VAL 38 H VAL 38 -11.782 6.841 1.376 304 HA VAL 38 HA VAL 38 -10.295 4.980 2.890 305 HB VAL 38 HB VAL 38 -8.383 4.658 1.632 306 HG11 VAL 38 1HG1 VAL 38 -10.424 4.469 -0.594 307 HG12 VAL 38 2HG1 VAL 38 -8.856 3.639 -0.480 308 HG13 VAL 38 3HG1 VAL 38 -10.123 3.233 0.666 309 HG21 VAL 38 3HG2 VAL 38 -7.832 5.782 -0.527 310 HG22 VAL 38 1HG2 VAL 38 -9.284 6.816 -0.298 311 HG23 VAL 38 2HG2 VAL 38 -7.927 6.875 0.839 312 H ASP 39 H ASP 39 -8.735 5.863 4.040 313 HA ASP 39 HA ASP 39 -8.962 8.778 4.233 314 HB2 ASP 39 1HB ASP 39 -9.205 7.351 6.348 315 HB3 ASP 39 2HB ASP 39 -7.551 6.806 6.084 316 H LEU 40 H LEU 40 -6.805 10.062 4.115 317 HA LEU 40 HA LEU 40 -4.497 8.440 3.258 318 HB2 LEU 40 1HB LEU 40 -5.700 10.734 1.653 319 HB3 LEU 40 2HB LEU 40 -4.022 10.322 1.499 320 HG LEU 40 HG LEU 40 -6.231 8.276 1.068 321 HD11 LEU 40 1HD1 LEU 40 -5.923 8.636 -1.340 322 HD12 LEU 40 2HD1 LEU 40 -6.536 10.073 -0.529 323 HD13 LEU 40 3HD1 LEU 40 -4.834 10.002 -1.003 324 HD21 LEU 40 3HD2 LEU 40 -4.011 7.280 1.506 325 HD22 LEU 40 1HD2 LEU 40 -4.490 7.043 -0.165 326 HD23 LEU 40 2HD2 LEU 40 -3.293 8.302 0.228 327 HA PRO 41 HA PRO 41 -2.263 11.212 5.855 328 HB2 PRO 41 1HB PRO 41 0.293 10.727 5.103 329 HB3 PRO 41 2HB PRO 41 -0.758 9.511 5.864 330 HG2 PRO 41 1HG PRO 41 -0.053 9.816 2.944 331 HG3 PRO 41 2HG PRO 41 -0.285 8.324 3.935 332 HD2 PRO 41 1HD PRO 41 -2.172 9.491 2.241 333 HD3 PRO 41 2HD PRO 41 -2.457 8.227 3.466 334 H GLU 42 H GLU 42 0.051 12.776 5.162 335 HA GLU 42 HA GLU 42 -0.913 14.582 3.035 336 HB2 GLU 42 1HB GLU 42 -0.780 15.465 5.356 337 HB3 GLU 42 2HB GLU 42 0.969 15.104 5.348 338 HG2 GLU 42 1HG GLU 42 1.265 16.694 3.495 339 HG3 GLU 42 2HG GLU 42 -0.480 16.906 3.417 340 H VAL 43 H VAL 43 0.479 15.221 1.515 341 HA VAL 43 HA VAL 43 2.464 13.681 0.490 342 HB VAL 43 HB VAL 43 0.775 15.827 -0.164 343 HG11 VAL 43 1HG1 VAL 43 3.478 16.888 -0.930 344 HG12 VAL 43 2HG1 VAL 43 1.879 17.628 -1.145 345 HG13 VAL 43 3HG1 VAL 43 2.564 17.466 0.493 346 HG21 VAL 43 3HG2 VAL 43 2.886 14.731 -1.967 347 HG22 VAL 43 1HG2 VAL 43 1.335 13.930 -1.554 348 HG23 VAL 43 2HG2 VAL 43 1.347 15.463 -2.440 349 H GLY 44 H GLY 44 3.244 14.817 3.095 350 HA2 GLY 44 1HA GLY 44 6.101 14.995 2.645 351 HA3 GLY 44 2HA GLY 44 5.447 16.509 3.276 352 H ARG 45 H ARG 45 3.827 13.538 4.245 353 HA ARG 45 HA ARG 45 4.757 14.022 7.026 354 HB2 ARG 45 1HB ARG 45 2.359 13.300 6.244 355 HB3 ARG 45 2HB ARG 45 3.061 11.672 6.088 356 HG2 ARG 45 1HG ARG 45 3.804 11.870 8.508 357 HG3 ARG 45 2HG ARG 45 3.018 13.451 8.580 358 HD2 ARG 45 1HD ARG 45 0.862 12.321 7.948 359 HD3 ARG 45 2HD ARG 45 1.695 10.777 8.008 360 HE ARG 45 HE ARG 45 1.725 10.782 10.258 361 HH11 ARG 45 2HH2 ARG 45 0.740 14.111 9.300 362 HH12 ARG 45 1HH2 ARG 45 0.184 14.525 10.876 363 HH21 ARG 45 2HH1 ARG 45 0.915 11.397 12.358 364 HH22 ARG 45 1HH1 ARG 45 0.635 13.025 12.735 365 H GLU 46 H GLU 46 6.281 12.455 8.217 366 HA GLU 46 HA GLU 46 7.695 10.669 6.436 367 HB2 GLU 46 1HB GLU 46 9.041 12.102 7.818 368 HB3 GLU 46 2HB GLU 46 8.064 11.735 9.265 369 HG2 GLU 46 1HG GLU 46 8.677 9.510 9.251 370 HG3 GLU 46 2HG GLU 46 9.433 9.627 7.633 371 H VAL 47 H VAL 47 7.799 8.368 7.103 372 HA VAL 47 HA VAL 47 5.754 7.448 8.978 373 HB VAL 47 HB VAL 47 5.012 5.711 7.356 374 HG11 VAL 47 1HG1 VAL 47 3.441 7.104 6.159 375 HG12 VAL 47 2HG1 VAL 47 3.730 7.858 7.724 376 HG13 VAL 47 3HG1 VAL 47 4.493 8.526 6.281 377 HG21 VAL 47 3HG2 VAL 47 6.424 7.390 5.220 378 HG22 VAL 47 1HG2 VAL 47 6.990 5.808 5.800 379 HG23 VAL 47 2HG2 VAL 47 5.458 5.934 4.957 380 H LYS 48 H LYS 48 6.108 5.137 9.543 381 HA LYS 48 HA LYS 48 8.842 4.097 9.162 382 HB2 LYS 48 1HB LYS 48 7.278 4.489 11.725 383 HB3 LYS 48 2HB LYS 48 8.388 3.152 11.579 384 HG2 LYS 48 1HG LYS 48 9.201 6.049 11.077 385 HG3 LYS 48 2HG LYS 48 9.277 5.291 12.659 386 HD2 LYS 48 1HD LYS 48 10.858 4.399 10.217 387 HD3 LYS 48 2HD LYS 48 11.469 5.330 11.582 388 HE2 LYS 48 1HE LYS 48 10.868 3.427 13.113 389 HE3 LYS 48 2HE LYS 48 10.407 2.475 11.688 390 HZ1 LYS 48 3HZ LYS 48 13.115 3.514 12.258 391 HZ2 LYS 48 1HZ LYS 48 12.621 1.945 12.358 392 HZ3 LYS 48 2HZ LYS 48 12.722 2.704 10.913 393 H LYS 49 H LYS 49 8.757 1.658 9.520 394 HA LYS 49 HA LYS 49 6.905 0.917 7.559 395 HB2 LYS 49 1HB LYS 49 8.178 -0.878 7.145 396 HB3 LYS 49 2HB LYS 49 9.289 0.324 7.783 397 HG2 LYS 49 1HG LYS 49 9.645 -0.913 9.794 398 HG3 LYS 49 2HG LYS 49 8.277 -1.989 9.465 399 HD2 LYS 49 1HD LYS 49 9.572 -2.565 7.241 400 HD3 LYS 49 2HD LYS 49 10.972 -1.913 8.084 401 HE2 LYS 49 1HE LYS 49 9.152 -4.188 9.027 402 HE3 LYS 49 2HE LYS 49 10.737 -4.371 8.266 403 HZ1 LYS 49 3HZ LYS 49 11.105 -4.554 10.525 404 HZ2 LYS 49 1HZ LYS 49 11.603 -3.023 10.174 405 HZ3 LYS 49 2HZ LYS 49 10.170 -3.250 10.930 406 H GLY 50 H GLY 50 5.603 1.297 10.036 407 HA2 GLY 50 1HA GLY 50 3.679 -0.858 9.682 408 HA3 GLY 50 2HA GLY 50 4.350 -0.848 11.311 409 H GLU 51 H GLU 51 3.896 2.366 9.689 410 HA GLU 51 HA GLU 51 2.071 3.076 11.820 411 HB2 GLU 51 1HB GLU 51 3.388 4.485 9.441 412 HB3 GLU 51 2HB GLU 51 2.245 5.243 10.550 413 HG2 GLU 51 1HG GLU 51 3.699 4.449 12.467 414 HG3 GLU 51 2HG GLU 51 4.951 4.050 11.268 415 H VAL 52 H VAL 52 -0.035 3.798 11.508 416 HA VAL 52 HA VAL 52 -1.425 2.683 9.141 417 HB VAL 52 HB VAL 52 -2.599 3.291 11.870 418 HG11 VAL 52 1HG1 VAL 52 -4.244 3.917 10.176 419 HG12 VAL 52 2HG1 VAL 52 -3.938 2.417 9.283 420 HG13 VAL 52 3HG1 VAL 52 -4.695 2.380 10.895 421 HG21 VAL 52 3HG2 VAL 52 -1.341 1.223 11.821 422 HG22 VAL 52 1HG2 VAL 52 -3.074 0.854 11.823 423 HG23 VAL 52 2HG2 VAL 52 -2.154 0.743 10.310 424 H VAL 53 H VAL 53 -1.508 4.217 7.674 425 HA VAL 53 HA VAL 53 -1.847 7.094 8.445 426 HB VAL 53 HB VAL 53 -0.085 7.522 6.754 427 HG11 VAL 53 1HG1 VAL 53 0.695 7.054 9.083 428 HG12 VAL 53 2HG1 VAL 53 0.896 5.348 8.618 429 HG13 VAL 53 3HG1 VAL 53 1.848 6.579 7.821 430 HG21 VAL 53 3HG2 VAL 53 1.193 5.633 5.825 431 HG22 VAL 53 1HG2 VAL 53 0.071 4.473 6.545 432 HG23 VAL 53 2HG2 VAL 53 -0.486 5.614 5.267 433 H ALA 54 H ALA 54 -3.454 4.686 6.828 434 HA ALA 54 HA ALA 54 -4.513 6.338 4.688 435 HB1 ALA 54 1HB ALA 54 -2.493 4.116 4.167 436 HB2 ALA 54 2HB ALA 54 -3.513 4.812 2.901 437 HB3 ALA 54 3HB ALA 54 -2.337 5.830 3.729 438 H SER 55 H SER 55 -5.892 5.169 6.741 439 HA SER 55 HA SER 55 -6.628 2.470 6.552 440 HB2 SER 55 1HB SER 55 -7.237 4.364 8.316 441 HB3 SER 55 2HB SER 55 -8.591 4.649 7.254 442 HG SER 55 HG SER 55 -9.561 3.141 8.221 443 H ILE 56 H ILE 56 -8.611 1.513 5.856 444 HA ILE 56 HA ILE 56 -9.946 2.724 3.488 445 HB ILE 56 HB ILE 56 -9.085 -0.166 3.879 446 HG12 ILE 56 1HG1 ILE 56 -7.899 1.913 2.100 447 HG13 ILE 56 2HG1 ILE 56 -7.114 1.088 3.444 448 HG21 ILE 56 1HG2 ILE 56 -9.988 -0.574 1.637 449 HG22 ILE 56 2HG2 ILE 56 -11.241 0.119 2.658 450 HG23 ILE 56 3HG2 ILE 56 -10.393 1.143 1.486 451 HD11 ILE 56 3HD1 ILE 56 -7.322 -1.080 2.229 452 HD12 ILE 56 1HD1 ILE 56 -7.900 -0.182 0.799 453 HD13 ILE 56 2HD1 ILE 56 -6.275 0.112 1.433 454 H GLU 57 H GLU 57 -12.013 3.110 4.255 455 HA GLU 57 HA GLU 57 -13.180 1.271 6.290 456 HB2 GLU 57 1HB GLU 57 -13.273 4.248 5.886 457 HB3 GLU 57 2HB GLU 57 -14.783 3.470 6.257 458 HG2 GLU 57 1HG GLU 57 -13.963 4.040 8.360 459 HG3 GLU 57 2HG GLU 57 -13.784 2.289 8.188 460 H SER 58 H SER 58 -14.978 0.160 5.600 461 HA SER 58 HA SER 58 -15.846 0.622 2.802 462 HB2 SER 58 1HB SER 58 -16.192 -1.772 2.717 463 HB3 SER 58 2HB SER 58 -14.532 -1.473 3.260 464 HG SER 58 HG SER 58 -16.162 -2.996 4.382 465 H VAL 59 H VAL 59 -18.026 -0.909 2.647 466 HA VAL 59 HA VAL 59 -20.123 0.632 3.587 467 HB VAL 59 HB VAL 59 -21.503 -1.338 2.913 468 HG11 VAL 59 1HG1 VAL 59 -20.692 0.403 1.292 469 HG12 VAL 59 2HG1 VAL 59 -19.274 -0.586 0.944 470 HG13 VAL 59 3HG1 VAL 59 -20.884 -1.190 0.546 471 HG21 VAL 59 3HG2 VAL 59 -20.027 -3.221 3.513 472 HG22 VAL 59 1HG2 VAL 59 -20.379 -3.228 1.780 473 HG23 VAL 59 2HG2 VAL 59 -18.804 -2.663 2.347 474 H LYS 60 H LYS 60 -18.722 -2.295 5.174 475 HA LYS 60 HA LYS 60 -19.019 -0.976 7.675 476 HB2 LYS 60 1HB LYS 60 -20.798 -3.412 7.256 477 HB3 LYS 60 2HB LYS 60 -20.005 -3.140 8.797 478 HG2 LYS 60 1HG LYS 60 -21.712 -1.918 9.426 479 HG3 LYS 60 2HG LYS 60 -21.074 -0.651 8.392 480 HD2 LYS 60 1HD LYS 60 -22.484 -1.813 6.495 481 HD3 LYS 60 2HD LYS 60 -23.289 -2.656 7.833 482 HE2 LYS 60 1HE LYS 60 -23.797 -0.461 8.890 483 HE3 LYS 60 2HE LYS 60 -22.947 0.368 7.569 484 HZ1 LYS 60 3HZ LYS 60 -25.291 0.372 7.176 485 HZ2 LYS 60 1HZ LYS 60 -24.564 -0.562 6.038 486 HZ3 LYS 60 2HZ LYS 60 -25.383 -1.264 7.298 487 H ALA 61 H ALA 61 -16.688 -1.162 7.300 488 HA ALA 61 HA ALA 61 -15.690 -2.850 9.210 489 HB1 ALA 61 1HB ALA 61 -15.707 -4.800 7.777 490 HB2 ALA 61 2HB ALA 61 -15.117 -3.845 6.398 491 HB3 ALA 61 3HB ALA 61 -14.051 -4.213 7.754 492 H ALA 62 H ALA 62 -13.140 -2.858 8.947 493 HA ALA 62 HA ALA 62 -12.121 -0.458 7.551 494 HB1 ALA 62 1HB ALA 62 -10.708 0.068 9.409 495 HB2 ALA 62 2HB ALA 62 -12.428 0.200 9.847 496 HB3 ALA 62 3HB ALA 62 -11.471 -1.203 10.401 497 H ALA 63 H ALA 63 -10.058 -0.738 6.776 498 HA ALA 63 HA ALA 63 -8.422 -3.098 7.480 499 HB1 ALA 63 1HB ALA 63 -9.155 -2.146 4.702 500 HB2 ALA 63 2HB ALA 63 -7.711 -3.084 5.052 501 HB3 ALA 63 3HB ALA 63 -9.303 -3.777 5.392 502 H ASP 64 H ASP 64 -7.045 -1.875 8.782 503 HA ASP 64 HA ASP 64 -6.124 0.768 8.233 504 HB2 ASP 64 1HB ASP 64 -4.593 -1.459 9.689 505 HB3 ASP 64 2HB ASP 64 -4.449 0.266 9.933 506 H VAL 65 H VAL 65 -4.687 1.257 6.419 507 HA VAL 65 HA VAL 65 -2.976 -0.857 5.301 508 HB VAL 65 HB VAL 65 -3.267 2.098 4.768 509 HG11 VAL 65 1HG1 VAL 65 -1.476 0.120 3.300 510 HG12 VAL 65 2HG1 VAL 65 -1.774 1.815 2.840 511 HG13 VAL 65 3HG1 VAL 65 -0.906 1.452 4.330 512 HG21 VAL 65 3HG2 VAL 65 -4.292 1.352 2.677 513 HG22 VAL 65 1HG2 VAL 65 -3.890 -0.348 3.046 514 HG23 VAL 65 2HG2 VAL 65 -5.092 0.522 4.006 515 H TYR 66 H TYR 66 -0.955 -1.279 6.117 516 HA TYR 66 HA TYR 66 0.124 0.567 8.195 517 HB2 TYR 66 1HB TYR 66 0.732 -2.366 7.824 518 HB3 TYR 66 2HB TYR 66 1.458 -1.276 8.986 519 HD1 TYR 66 1HD TYR 66 -1.647 -3.037 8.025 520 HD2 TYR 66 2HD TYR 66 0.184 -0.582 11.035 521 HE1 TYR 66 1HE TYR 66 -3.328 -3.787 9.601 522 HE2 TYR 66 2HE TYR 66 -1.522 -1.340 12.678 523 HH TYR 66 HH TYR 66 -4.355 -2.454 11.994 524 H ALA 67 H ALA 67 1.427 1.862 7.221 525 HA ALA 67 HA ALA 67 2.678 2.136 4.941 526 HB1 ALA 67 1HB ALA 67 3.865 2.622 7.685 527 HB2 ALA 67 2HB ALA 67 4.482 3.361 6.200 528 HB3 ALA 67 3HB ALA 67 2.828 3.732 6.777 529 HA PRO 68 HA PRO 68 4.795 -1.718 4.720 530 HB2 PRO 68 1HB PRO 68 5.946 -1.637 2.229 531 HB3 PRO 68 2HB PRO 68 4.187 -1.797 2.494 532 HG2 PRO 68 1HG PRO 68 5.723 0.746 1.920 533 HG3 PRO 68 2HG PRO 68 4.243 0.111 1.125 534 HD2 PRO 68 1HD PRO 68 4.081 1.953 3.121 535 HD3 PRO 68 2HD PRO 68 2.900 0.601 3.039 536 H LEU 69 H LEU 69 6.664 1.238 4.159 537 HA LEU 69 HA LEU 69 9.113 0.006 5.256 538 HB2 LEU 69 1HB LEU 69 8.918 1.813 2.805 539 HB3 LEU 69 2HB LEU 69 10.376 1.615 3.731 540 HG LEU 69 HG LEU 69 10.568 0.424 1.759 541 HD11 LEU 69 1HD1 LEU 69 10.315 -1.515 4.095 542 HD12 LEU 69 2HD1 LEU 69 11.169 -1.818 2.568 543 HD13 LEU 69 3HD1 LEU 69 11.748 -0.544 3.626 544 HD21 LEU 69 3HD2 LEU 69 8.228 -1.308 2.531 545 HD22 LEU 69 1HD2 LEU 69 8.163 -0.003 1.345 546 HD23 LEU 69 2HD2 LEU 69 9.208 -1.414 1.068 547 H SER 70 H SER 70 10.487 1.710 6.068 548 HA SER 70 HA SER 70 9.286 4.129 7.156 549 HB2 SER 70 1HB SER 70 12.240 3.481 6.783 550 HB3 SER 70 2HB SER 70 11.500 4.563 7.972 551 HG SER 70 HG SER 70 11.417 1.717 7.837 552 H GLY 71 H GLY 71 9.809 6.277 6.294 553 HA2 GLY 71 1HA GLY 71 11.213 7.034 4.076 554 HA3 GLY 71 2HA GLY 71 9.802 6.176 3.402 555 H LYS 72 H LYS 72 9.356 8.485 2.563 556 HA LYS 72 HA LYS 72 7.617 9.844 4.538 557 HB2 LYS 72 1HB LYS 72 9.084 11.421 4.986 558 HB3 LYS 72 2HB LYS 72 10.232 10.687 3.926 559 HG2 LYS 72 1HG LYS 72 8.242 12.573 2.659 560 HG3 LYS 72 2HG LYS 72 9.417 13.234 3.779 561 HD2 LYS 72 1HD LYS 72 11.270 12.151 2.505 562 HD3 LYS 72 2HD LYS 72 10.072 11.663 1.277 563 HE2 LYS 72 1HE LYS 72 9.530 13.965 0.795 564 HE3 LYS 72 2HE LYS 72 10.484 14.545 2.158 565 HZ1 LYS 72 3HZ LYS 72 12.472 13.999 1.051 566 HZ2 LYS 72 1HZ LYS 72 11.746 13.101 -0.105 567 HZ3 LYS 72 2HZ LYS 72 11.541 14.709 -0.101 568 H ILE 73 H ILE 73 5.822 10.728 3.627 569 HA ILE 73 HA ILE 73 5.156 9.546 1.053 570 HB ILE 73 HB ILE 73 3.561 11.518 2.692 571 HG12 ILE 73 1HG1 ILE 73 3.938 9.862 4.298 572 HG13 ILE 73 2HG1 ILE 73 2.371 9.471 3.640 573 HG21 ILE 73 1HG2 ILE 73 1.604 10.459 1.612 574 HG22 ILE 73 2HG2 ILE 73 2.690 11.111 0.409 575 HG23 ILE 73 3HG2 ILE 73 2.674 9.363 0.712 576 HD11 ILE 73 3HD1 ILE 73 3.693 7.458 3.963 577 HD12 ILE 73 1HD1 ILE 73 3.458 7.700 2.219 578 HD13 ILE 73 2HD1 ILE 73 5.015 8.071 3.012 579 H VAL 74 H VAL 74 4.839 10.682 -0.911 580 HA VAL 74 HA VAL 74 5.425 13.567 -0.901 581 HB VAL 74 HB VAL 74 7.080 13.186 -2.805 582 HG11 VAL 74 1HG1 VAL 74 9.009 12.621 -1.485 583 HG12 VAL 74 2HG1 VAL 74 7.893 13.592 -0.507 584 HG13 VAL 74 3HG1 VAL 74 8.012 11.841 -0.256 585 HG21 VAL 74 3HG2 VAL 74 8.093 11.022 -3.205 586 HG22 VAL 74 1HG2 VAL 74 7.042 10.250 -2.001 587 HG23 VAL 74 2HG2 VAL 74 6.353 10.926 -3.497 588 H GLU 75 H GLU 75 3.483 10.941 -1.975 589 HA GLU 75 HA GLU 75 1.984 12.922 -3.330 590 HB2 GLU 75 1HB GLU 75 3.773 11.609 -4.965 591 HB3 GLU 75 2HB GLU 75 2.339 10.604 -5.145 592 HG2 GLU 75 1HG GLU 75 1.077 12.494 -5.965 593 HG3 GLU 75 2HG GLU 75 2.219 13.651 -5.276 594 H VAL 76 H VAL 76 -0.250 12.039 -3.883 595 HA VAL 76 HA VAL 76 -1.054 9.698 -2.278 596 HB VAL 76 HB VAL 76 -2.805 11.111 -1.194 597 HG11 VAL 76 1HG1 VAL 76 -1.432 12.198 0.501 598 HG12 VAL 76 2HG1 VAL 76 -0.690 10.647 0.060 599 HG13 VAL 76 3HG1 VAL 76 -0.018 12.183 -0.539 600 HG21 VAL 76 3HG2 VAL 76 -2.761 12.933 -2.929 601 HG22 VAL 76 1HG2 VAL 76 -2.691 13.530 -1.269 602 HG23 VAL 76 2HG2 VAL 76 -1.216 13.488 -2.262 603 H ASN 77 H ASN 77 -3.187 8.885 -3.002 604 HA ASN 77 HA ASN 77 -3.760 9.704 -5.788 605 HB2 ASN 77 1HB ASN 77 -3.248 7.274 -5.025 606 HB3 ASN 77 2HB ASN 77 -4.859 7.263 -4.387 607 HD21 ASN 77 1HD2 ASN 77 -5.071 5.518 -5.961 608 HD22 ASN 77 2HD2 ASN 77 -5.415 5.765 -7.643 609 H GLU 78 H GLU 78 -4.770 11.707 -4.996 610 HA GLU 78 HA GLU 78 -6.961 11.904 -3.262 611 HB2 GLU 78 1HB GLU 78 -5.990 13.529 -5.630 612 HB3 GLU 78 2HB GLU 78 -7.379 14.050 -4.681 613 HG2 GLU 78 1HG GLU 78 -5.025 13.379 -3.007 614 HG3 GLU 78 2HG GLU 78 -4.717 14.664 -4.162 615 H LYS 79 H LYS 79 -6.891 10.462 -6.248 616 HA LYS 79 HA LYS 79 -9.583 10.680 -7.209 617 HB2 LYS 79 1HB LYS 79 -7.264 8.778 -7.471 618 HB3 LYS 79 2HB LYS 79 -8.813 8.097 -7.865 619 HG2 LYS 79 1HG LYS 79 -7.812 10.717 -9.024 620 HG3 LYS 79 2HG LYS 79 -7.509 9.152 -9.775 621 HD2 LYS 79 1HD LYS 79 -10.372 9.702 -9.108 622 HD3 LYS 79 2HD LYS 79 -9.681 10.752 -10.344 623 HE2 LYS 79 1HE LYS 79 -9.443 7.712 -10.424 624 HE3 LYS 79 2HE LYS 79 -10.796 8.594 -11.152 625 HZ1 LYS 79 3HZ LYS 79 -7.955 8.896 -11.886 626 HZ2 LYS 79 1HZ LYS 79 -9.104 8.169 -12.766 627 HZ3 LYS 79 2HZ LYS 79 -9.190 9.800 -12.528 628 H LEU 80 H LEU 80 -8.188 8.742 -4.532 629 HA LEU 80 HA LEU 80 -10.310 6.804 -4.620 630 HB2 LEU 80 1HB LEU 80 -8.120 7.373 -2.612 631 HB3 LEU 80 2HB LEU 80 -9.285 6.074 -2.407 632 HG LEU 80 HG LEU 80 -6.844 5.744 -3.559 633 HD11 LEU 80 1HD1 LEU 80 -7.607 3.572 -4.143 634 HD12 LEU 80 2HD1 LEU 80 -8.520 4.083 -2.711 635 HD13 LEU 80 3HD1 LEU 80 -9.299 4.101 -4.290 636 HD21 LEU 80 3HD2 LEU 80 -8.841 5.854 -5.901 637 HD22 LEU 80 1HD2 LEU 80 -7.387 6.865 -5.706 638 HD23 LEU 80 2HD2 LEU 80 -7.249 5.106 -5.935 639 H ASP 81 H ASP 81 -10.225 9.898 -3.300 640 HA ASP 81 HA ASP 81 -12.356 10.199 -1.539 641 HB2 ASP 81 1HB ASP 81 -10.946 11.937 -2.595 642 HB3 ASP 81 2HB ASP 81 -11.629 11.561 -4.153 643 H THR 82 H THR 82 -12.536 9.758 -5.131 644 HA THR 82 HA THR 82 -15.450 9.169 -4.883 645 HB THR 82 HB THR 82 -15.682 10.231 -7.068 646 HG1 THR 82 1HG THR 82 -13.832 10.047 -8.061 647 HG21 THR 82 3HG2 THR 82 -15.399 12.515 -6.461 648 HG22 THR 82 1HG2 THR 82 -15.840 11.622 -4.997 649 HG23 THR 82 2HG2 THR 82 -14.150 12.117 -5.265 650 H GLU 83 H GLU 83 -12.478 7.785 -5.637 651 HA GLU 83 HA GLU 83 -13.908 5.510 -6.836 652 HB2 GLU 83 1HB GLU 83 -11.521 7.024 -7.850 653 HB3 GLU 83 2HB GLU 83 -11.432 5.308 -8.097 654 HG2 GLU 83 1HG GLU 83 -13.732 7.016 -9.052 655 HG3 GLU 83 2HG GLU 83 -12.319 6.546 -10.009 656 HA PRO 84 HA PRO 84 -11.357 4.116 -3.198 657 HB2 PRO 84 1HB PRO 84 -13.414 3.464 -1.499 658 HB3 PRO 84 2HB PRO 84 -12.625 5.058 -1.509 659 HG2 PRO 84 1HG PRO 84 -15.297 4.293 -2.612 660 HG3 PRO 84 2HG PRO 84 -14.746 5.866 -1.944 661 HD2 PRO 84 1HD PRO 84 -14.934 5.111 -4.684 662 HD3 PRO 84 2HD PRO 84 -14.159 6.575 -4.060 663 H GLU 85 H GLU 85 -14.330 3.238 -4.926 664 HA GLU 85 HA GLU 85 -14.185 0.408 -4.536 665 HB2 GLU 85 1HB GLU 85 -15.580 2.165 -6.573 666 HB3 GLU 85 2HB GLU 85 -15.776 0.408 -6.497 667 HG2 GLU 85 1HG GLU 85 -16.610 0.521 -4.208 668 HG3 GLU 85 2HG GLU 85 -16.310 2.266 -4.139 669 H LEU 86 H LEU 86 -12.261 2.605 -6.671 670 HA LEU 86 HA LEU 86 -11.571 0.750 -8.523 671 HB2 LEU 86 1HB LEU 86 -10.911 3.348 -7.936 672 HB3 LEU 86 2HB LEU 86 -9.407 2.567 -7.549 673 HG LEU 86 HG LEU 86 -9.225 3.274 -9.775 674 HD11 LEU 86 1HD1 LEU 86 -8.522 0.915 -9.456 675 HD12 LEU 86 2HD1 LEU 86 -10.147 0.367 -9.851 676 HD13 LEU 86 3HD1 LEU 86 -9.158 1.128 -11.112 677 HD21 LEU 86 3HD2 LEU 86 -10.829 2.749 -11.588 678 HD22 LEU 86 1HD2 LEU 86 -11.986 2.184 -10.349 679 HD23 LEU 86 2HD2 LEU 86 -11.415 3.867 -10.358 680 H ILE 87 H ILE 87 -10.705 0.806 -5.088 681 HA ILE 87 HA ILE 87 -8.338 -0.805 -5.427 682 HB ILE 87 HB ILE 87 -10.117 -0.517 -2.992 683 HG12 ILE 87 1HG1 ILE 87 -7.820 1.082 -4.175 684 HG13 ILE 87 2HG1 ILE 87 -9.349 1.657 -3.516 685 HG21 ILE 87 1HG2 ILE 87 -8.671 -2.505 -2.831 686 HG22 ILE 87 2HG2 ILE 87 -7.254 -1.523 -3.285 687 HG23 ILE 87 3HG2 ILE 87 -8.128 -1.238 -1.757 688 HD11 ILE 87 3HD1 ILE 87 -6.899 0.730 -1.978 689 HD12 ILE 87 1HD1 ILE 87 -7.574 2.356 -2.048 690 HD13 ILE 87 2HD1 ILE 87 -8.462 1.092 -1.203 691 H ASN 88 H ASN 88 -11.665 -1.542 -6.012 692 HA ASN 88 HA ASN 88 -11.203 -4.469 -5.968 693 HB2 ASN 88 1HB ASN 88 -13.480 -2.714 -6.961 694 HB3 ASN 88 2HB ASN 88 -13.407 -4.450 -7.171 695 HD21 ASN 88 1HD2 ASN 88 -13.270 -2.097 -4.430 696 HD22 ASN 88 2HD2 ASN 88 -14.098 -3.223 -3.321 697 H LYS 89 H LYS 89 -11.984 -1.809 -8.210 698 HA LYS 89 HA LYS 89 -11.958 -3.348 -10.546 699 HB2 LYS 89 1HB LYS 89 -12.288 -0.571 -9.819 700 HB3 LYS 89 2HB LYS 89 -11.452 -0.669 -11.337 701 HG2 LYS 89 1HG LYS 89 -13.995 -2.172 -10.593 702 HG3 LYS 89 2HG LYS 89 -13.973 -0.617 -11.382 703 HD2 LYS 89 1HD LYS 89 -13.754 -1.499 -13.420 704 HD3 LYS 89 2HD LYS 89 -12.320 -2.391 -12.951 705 HE2 LYS 89 1HE LYS 89 -14.161 -3.817 -13.840 706 HE3 LYS 89 2HE LYS 89 -13.606 -4.292 -12.235 707 HZ1 LYS 89 3HZ LYS 89 -15.499 -3.404 -11.255 708 HZ2 LYS 89 1HZ LYS 89 -15.977 -2.575 -12.586 709 HZ3 LYS 89 2HZ LYS 89 -16.063 -4.239 -12.525 710 H ASP 90 H ASP 90 -9.242 -1.665 -8.989 711 HA ASP 90 HA ASP 90 -7.451 -3.390 -10.369 712 HB2 ASP 90 1HB ASP 90 -7.923 -1.303 -11.970 713 HB3 ASP 90 2HB ASP 90 -6.823 -0.468 -10.962 714 HA PRO 91 HA PRO 91 -6.481 -1.842 -6.061 715 HB2 PRO 91 1HB PRO 91 -5.242 -4.314 -5.313 716 HB3 PRO 91 2HB PRO 91 -6.875 -3.805 -4.894 717 HG2 PRO 91 1HG PRO 91 -5.888 -5.603 -7.088 718 HG3 PRO 91 2HG PRO 91 -7.416 -5.712 -6.169 719 HD2 PRO 91 1HD PRO 91 -7.283 -4.776 -8.745 720 HD3 PRO 91 2HD PRO 91 -8.431 -4.079 -7.572 721 H GLU 92 H GLU 92 -4.580 -3.199 -8.599 722 HA GLU 92 HA GLU 92 -2.115 -2.165 -7.358 723 HB2 GLU 92 1HB GLU 92 -1.929 -4.443 -9.203 724 HB3 GLU 92 2HB GLU 92 -0.889 -3.975 -7.872 725 HG2 GLU 92 1HG GLU 92 -2.607 -4.804 -6.255 726 HG3 GLU 92 2HG GLU 92 -3.539 -5.454 -7.602 727 H GLY 93 H GLY 93 -4.215 -1.207 -9.437 728 HA2 GLY 93 1HA GLY 93 -2.182 -0.044 -11.279 729 HA3 GLY 93 2HA GLY 93 -3.812 -0.444 -11.853 730 H GLU 94 H GLU 94 -5.431 0.993 -11.526 731 HA GLU 94 HA GLU 94 -4.697 3.649 -10.732 732 HB2 GLU 94 1HB GLU 94 -7.285 2.357 -11.587 733 HB3 GLU 94 2HB GLU 94 -7.155 4.071 -11.176 734 HG2 GLU 94 1HG GLU 94 -5.135 3.094 -13.033 735 HG3 GLU 94 2HG GLU 94 -6.744 3.095 -13.666 736 H GLY 95 H GLY 95 -6.067 0.982 -8.913 737 HA2 GLY 95 1HA GLY 95 -7.118 2.606 -6.736 738 HA3 GLY 95 2HA GLY 95 -6.981 0.880 -6.823 739 H TRP 96 H TRP 96 -4.111 2.966 -7.337 740 HA TRP 96 HA TRP 96 -2.786 1.854 -4.979 741 HB2 TRP 96 1HB TRP 96 -0.967 3.370 -5.434 742 HB3 TRP 96 2HB TRP 96 -1.421 2.510 -6.889 743 HD1 TRP 96 HD TRP 96 -2.829 3.942 -8.737 744 HE1 TRP 96 1HE TRP 96 -2.775 6.389 -9.385 745 HE3 TRP 96 3HE TRP 96 -0.424 5.869 -4.627 746 HZ2 TRP 96 2HZ TRP 96 -1.861 8.853 -8.325 747 HZ3 TRP 96 3HZ TRP 96 -0.085 8.406 -4.479 748 HH2 TRP 96 HH TRP 96 -0.732 9.820 -6.341 749 H LEU 97 H LEU 97 -1.925 3.370 -3.270 750 HA LEU 97 HA LEU 97 -4.184 5.089 -2.324 751 HB2 LEU 97 1HB LEU 97 -1.990 3.774 -0.711 752 HB3 LEU 97 2HB LEU 97 -3.434 4.596 -0.107 753 HG LEU 97 HG LEU 97 -3.905 2.204 -1.853 754 HD11 LEU 97 1HD1 LEU 97 -1.939 1.528 -0.418 755 HD12 LEU 97 2HD1 LEU 97 -2.888 1.975 0.997 756 HD13 LEU 97 3HD1 LEU 97 -3.426 0.632 -0.029 757 HD21 LEU 97 3HD2 LEU 97 -5.756 3.467 -0.658 758 HD22 LEU 97 1HD2 LEU 97 -5.678 1.725 -0.304 759 HD23 LEU 97 2HD2 LEU 97 -5.063 2.880 0.869 760 H PHE 98 H PHE 98 -0.555 4.843 -2.021 761 HA PHE 98 HA PHE 98 -0.312 7.727 -2.444 762 HB2 PHE 98 1HB PHE 98 0.911 8.055 -0.322 763 HB3 PHE 98 2HB PHE 98 -0.779 7.670 -0.086 764 HD1 PHE 98 2HD PHE 98 2.693 6.318 0.143 765 HD2 PHE 98 1HD PHE 98 -1.457 5.732 1.188 766 HE1 PHE 98 2HE PHE 98 3.310 4.432 1.640 767 HE2 PHE 98 1HE PHE 98 -0.763 3.903 2.761 768 HZ PHE 98 HZ PHE 98 1.578 3.178 2.856 769 H LYS 99 H LYS 99 2.070 8.365 -2.345 770 HA LYS 99 HA LYS 99 3.894 6.155 -3.111 771 HB2 LYS 99 1HB LYS 99 3.816 8.933 -4.380 772 HB3 LYS 99 2HB LYS 99 5.054 7.730 -4.602 773 HG2 LYS 99 1HG LYS 99 3.242 6.132 -5.422 774 HG3 LYS 99 2HG LYS 99 2.171 7.542 -5.502 775 HD2 LYS 99 1HD LYS 99 3.750 8.628 -7.070 776 HD3 LYS 99 2HD LYS 99 4.819 7.216 -6.994 777 HE2 LYS 99 1HE LYS 99 3.559 6.045 -8.462 778 HE3 LYS 99 2HE LYS 99 2.087 6.390 -7.544 779 HZ1 LYS 99 3HZ LYS 99 3.253 8.072 -9.663 780 HZ2 LYS 99 1HZ LYS 99 1.780 7.323 -9.620 781 HZ3 LYS 99 2HZ LYS 99 2.075 8.581 -8.617 782 H MET 100 H MET 100 5.933 6.322 -2.224 783 HA MET 100 HA MET 100 6.444 8.530 -0.321 784 HB2 MET 100 1HB MET 100 6.993 6.746 1.363 785 HB3 MET 100 2HB MET 100 5.287 7.009 1.043 786 HG2 MET 100 1HG MET 100 4.942 5.032 -0.059 787 HG3 MET 100 2HG MET 100 6.591 4.764 -0.485 788 HE1 MET 100 3HE MET 100 7.960 3.772 3.263 789 HE2 MET 100 1HE MET 100 8.456 4.552 1.757 790 HE3 MET 100 2HE MET 100 7.562 5.454 3.011 791 H GLU 101 H GLU 101 8.649 8.893 0.149 792 HA GLU 101 HA GLU 101 10.514 7.900 -1.849 793 HB2 GLU 101 1HB GLU 101 10.396 10.275 -1.045 794 HB3 GLU 101 2HB GLU 101 10.805 9.709 0.580 795 HG2 GLU 101 1HG GLU 101 12.998 8.899 -0.223 796 HG3 GLU 101 2HG GLU 101 12.588 9.412 -1.870 797 H ILE 102 H ILE 102 12.119 6.342 -1.376 798 HA ILE 102 HA ILE 102 11.971 5.026 1.240 799 HB ILE 102 HB ILE 102 13.479 3.381 0.197 800 HG12 ILE 102 1HG1 ILE 102 12.820 4.667 -2.463 801 HG13 ILE 102 2HG1 ILE 102 14.410 4.785 -1.703 802 HG21 ILE 102 1HG2 ILE 102 10.984 3.183 0.346 803 HG22 ILE 102 2HG2 ILE 102 10.863 3.838 -1.310 804 HG23 ILE 102 3HG2 ILE 102 11.668 2.286 -1.017 805 HD11 ILE 102 3HD1 ILE 102 13.081 2.215 -2.639 806 HD12 ILE 102 1HD1 ILE 102 14.406 3.067 -3.408 807 HD13 ILE 102 2HD1 ILE 102 14.649 2.331 -1.807 808 H SER 103 H SER 103 13.290 5.697 2.796 809 HA SER 103 HA SER 103 15.719 7.271 2.128 810 HB2 SER 103 1HB SER 103 14.116 7.814 4.140 811 HB3 SER 103 2HB SER 103 14.875 6.428 4.908 812 HG SER 103 HG SER 103 16.919 7.590 4.120 813 H ASP 104 H ASP 104 14.665 4.028 2.727 814 HA ASP 104 HA ASP 104 17.350 3.105 3.593 815 HB2 ASP 104 1HB ASP 104 14.619 2.608 4.872 816 HB3 ASP 104 2HB ASP 104 16.109 1.778 5.311 817 H GLU 105 H GLU 105 17.661 2.159 1.443 818 HA GLU 105 HA GLU 105 15.628 0.512 0.305 819 HB2 GLU 105 1HB GLU 105 16.819 1.508 -1.346 820 HB3 GLU 105 2HB GLU 105 18.266 1.668 -0.376 821 HG2 GLU 105 1HG GLU 105 18.755 -0.703 -0.695 822 HG3 GLU 105 2HG GLU 105 17.387 -0.848 -1.821 823 H GLY 106 H GLY 106 17.844 0.074 2.791 824 HA2 GLY 106 1HA GLY 106 18.744 -2.642 2.543 825 HA3 GLY 106 2HA GLY 106 18.575 -1.736 4.047 826 H GLU 107 H GLU 107 16.075 -1.169 4.347 827 HA GLU 107 HA GLU 107 14.967 -3.645 5.165 828 HB2 GLU 107 1HB GLU 107 13.861 -0.808 5.223 829 HB3 GLU 107 2HB GLU 107 13.099 -2.206 6.034 830 HG2 GLU 107 1HG GLU 107 15.230 -2.615 7.272 831 HG3 GLU 107 2HG GLU 107 15.930 -1.184 6.504 832 H LEU 108 H LEU 108 14.871 -2.438 2.088 833 HA LEU 108 HA LEU 108 12.206 -3.303 1.327 834 HB2 LEU 108 1HB LEU 108 14.760 -3.443 -0.261 835 HB3 LEU 108 2HB LEU 108 13.158 -3.611 -0.899 836 HG LEU 108 HG LEU 108 14.559 -1.152 -0.011 837 HD11 LEU 108 1HD1 LEU 108 13.922 -0.355 -2.277 838 HD12 LEU 108 2HD1 LEU 108 14.746 -1.910 -2.373 839 HD13 LEU 108 3HD1 LEU 108 12.978 -1.852 -2.526 840 HD21 LEU 108 3HD2 LEU 108 12.619 0.241 -0.343 841 HD22 LEU 108 1HD2 LEU 108 11.594 -1.228 -0.356 842 HD23 LEU 108 2HD2 LEU 108 12.573 -0.772 1.088 843 H GLU 109 H GLU 109 15.362 -4.835 1.899 844 HA GLU 109 HA GLU 109 14.436 -7.503 1.084 845 HB2 GLU 109 1HB GLU 109 17.060 -6.409 2.171 846 HB3 GLU 109 2HB GLU 109 16.800 -8.113 1.846 847 HG2 GLU 109 1HG GLU 109 16.611 -5.876 -0.202 848 HG3 GLU 109 2HG GLU 109 17.979 -6.960 0.003 849 H ASP 110 H ASP 110 14.051 -5.588 3.814 850 HA ASP 110 HA ASP 110 14.107 -7.737 5.831 851 HB2 ASP 110 1HB ASP 110 14.497 -5.317 6.348 852 HB3 ASP 110 2HB ASP 110 12.800 -4.998 5.948 853 H LEU 111 H LEU 111 12.061 -6.623 3.257 854 HA LEU 111 HA LEU 111 9.561 -7.663 4.430 855 HB2 LEU 111 1HB LEU 111 10.226 -6.210 1.846 856 HB3 LEU 111 2HB LEU 111 8.638 -6.794 2.212 857 HG LEU 111 HG LEU 111 10.101 -4.682 3.806 858 HD11 LEU 111 1HD1 LEU 111 9.256 -3.856 1.719 859 HD12 LEU 111 2HD1 LEU 111 7.701 -4.707 1.914 860 HD13 LEU 111 3HD1 LEU 111 8.116 -3.361 2.979 861 HD21 LEU 111 3HD2 LEU 111 7.355 -5.969 4.237 862 HD22 LEU 111 1HD2 LEU 111 8.720 -5.947 5.389 863 HD23 LEU 111 2HD2 LEU 111 7.891 -4.451 4.992 864 H LEU 112 H LEU 112 8.373 -8.486 1.942 865 HA LEU 112 HA LEU 112 9.371 -11.283 1.861 866 HB2 LEU 112 1HB LEU 112 6.652 -9.963 1.478 867 HB3 LEU 112 2HB LEU 112 6.941 -11.651 1.098 868 HG LEU 112 HG LEU 112 7.513 -10.564 3.882 869 HD11 LEU 112 1HD1 LEU 112 5.219 -9.984 3.393 870 HD12 LEU 112 2HD1 LEU 112 4.871 -11.617 2.785 871 HD13 LEU 112 3HD1 LEU 112 5.261 -11.377 4.499 872 HD21 LEU 112 3HD2 LEU 112 6.792 -13.349 2.854 873 HD22 LEU 112 1HD2 LEU 112 8.431 -12.808 3.312 874 HD23 LEU 112 2HD2 LEU 112 7.155 -12.904 4.528 875 H ASP 113 H ASP 113 9.881 -12.137 -0.085 876 HA ASP 113 HA ASP 113 9.763 -10.732 -2.636 877 HB2 ASP 113 1HB ASP 113 9.932 -13.717 -1.978 878 HB3 ASP 113 2HB ASP 113 10.144 -13.029 -3.583 879 H GLU 114 H GLU 114 8.429 -11.913 -4.411 880 HA GLU 114 HA GLU 114 5.618 -11.737 -3.915 881 HB2 GLU 114 1HB GLU 114 6.851 -11.241 -6.020 882 HB3 GLU 114 2HB GLU 114 7.166 -12.952 -6.227 883 HG2 GLU 114 1HG GLU 114 4.788 -13.411 -6.526 884 HG3 GLU 114 2HG GLU 114 4.379 -11.724 -6.180 885 H GLN 115 H GLN 115 7.802 -14.621 -4.554 886 HA GLN 115 HA GLN 115 5.885 -16.567 -4.149 887 HB2 GLN 115 1HB GLN 115 8.264 -16.631 -5.157 888 HB3 GLN 115 2HB GLN 115 8.853 -16.675 -3.491 889 HG2 GLN 115 1HG GLN 115 7.231 -18.697 -3.225 890 HG3 GLN 115 2HG GLN 115 7.152 -18.668 -4.992 891 HE21 GLN 115 1HE2 GLN 115 8.757 -19.995 -5.982 892 HE22 GLN 115 2HE2 GLN 115 10.201 -20.554 -5.119 893 H ALA 116 H ALA 116 8.042 -14.888 -1.824 894 HA ALA 116 HA ALA 116 7.379 -16.551 0.446 895 HB1 ALA 116 1HB ALA 116 9.473 -15.191 0.287 896 HB2 ALA 116 2HB ALA 116 8.482 -13.712 0.399 897 HB3 ALA 116 3HB ALA 116 8.535 -14.858 1.753 898 H TYR 117 H TYR 117 6.062 -13.522 -0.969 899 HA TYR 117 HA TYR 117 4.095 -13.044 1.065 900 HB2 TYR 117 1HB TYR 117 4.570 -11.273 -0.334 901 HB3 TYR 117 2HB TYR 117 4.503 -12.211 -1.806 902 HD1 TYR 117 2HD TYR 117 2.357 -10.800 0.924 903 HD2 TYR 117 1HD TYR 117 2.526 -12.380 -3.098 904 HE1 TYR 117 2HE TYR 117 0.014 -10.209 0.609 905 HE2 TYR 117 1HE TYR 117 0.123 -11.798 -3.420 906 HH TYR 117 HH TYR 117 -1.731 -10.087 -0.897 907 H GLN 118 H GLN 118 3.994 -14.920 -2.015 908 HA GLN 118 HA GLN 118 1.347 -15.854 -1.814 909 HB2 GLN 118 1HB GLN 118 2.026 -16.622 -3.762 910 HB3 GLN 118 2HB GLN 118 3.727 -16.472 -3.339 911 HG2 GLN 118 1HG GLN 118 3.860 -18.681 -2.508 912 HG3 GLN 118 2HG GLN 118 2.109 -18.873 -2.502 913 HE21 GLN 118 1HE2 GLN 118 1.806 -20.508 -3.970 914 HE22 GLN 118 2HE2 GLN 118 2.411 -20.525 -5.613 915 H GLU 119 H GLU 119 4.313 -17.230 -0.326 916 HA GLU 119 HA GLU 119 3.091 -19.335 0.994 917 HB2 GLU 119 1HB GLU 119 5.626 -18.599 0.797 918 HB3 GLU 119 2HB GLU 119 5.312 -17.757 2.326 919 HG2 GLU 119 1HG GLU 119 4.389 -19.923 3.227 920 HG3 GLU 119 2HG GLU 119 4.880 -20.696 1.714 921 H PHE 120 H PHE 120 3.514 -15.955 2.150 922 HA PHE 120 HA PHE 120 2.140 -16.396 4.617 923 HB2 PHE 120 1HB PHE 120 3.718 -14.512 4.156 924 HB3 PHE 120 2HB PHE 120 2.498 -13.784 3.105 925 HD1 PHE 120 2HD PHE 120 3.003 -15.106 6.593 926 HD2 PHE 120 1HD PHE 120 0.923 -12.286 4.081 927 HE1 PHE 120 2HE PHE 120 1.764 -14.276 8.559 928 HE2 PHE 120 1HE PHE 120 -0.409 -11.545 6.050 929 HZ PHE 120 HZ PHE 120 0.056 -12.450 8.266 930 H CYS 121 H CYS 121 1.003 -15.709 1.368 931 HA CYS 121 HA CYS 121 -1.742 -15.198 2.041 932 HB2 CYS 121 1HB CYS 121 -0.084 -15.240 -0.276 933 HB3 CYS 121 2HB CYS 121 -1.391 -16.357 -0.611 934 HG CYS 121 HG CYS 121 -1.909 -13.905 -1.578 935 H ALA 122 H ALA 122 0.046 -18.093 2.283 936 HA ALA 122 HA ALA 122 -2.443 -19.753 2.307 937 HB1 ALA 122 1HB ALA 122 0.448 -20.598 2.731 938 HB2 ALA 122 2HB ALA 122 -0.966 -21.650 2.590 939 HB3 ALA 122 3HB ALA 122 -0.439 -20.702 1.193 940 H GLN 123 H GLN 123 -0.470 -17.838 4.436 941 HA GLN 123 HA GLN 123 -1.260 -19.308 6.850 942 HB2 GLN 123 1HB GLN 123 0.603 -17.051 6.126 943 HB3 GLN 123 2HB GLN 123 0.011 -17.123 7.765 944 HG2 GLN 123 1HG GLN 123 1.223 -19.573 6.437 945 HG3 GLN 123 2HG GLN 123 2.210 -18.331 7.201 946 HE21 GLN 123 1HE2 GLN 123 0.522 -21.225 7.837 947 HE22 GLN 123 2HE2 GLN 123 0.209 -21.026 9.546 948 H GLU 124 H GLU 124 -2.990 -17.188 4.809 949 HA GLU 124 HA GLU 124 -4.492 -16.066 7.048 950 HB2 GLU 124 1HB GLU 124 -2.169 -14.810 6.504 951 HB3 GLU 124 2HB GLU 124 -3.121 -14.165 5.169 952 HG2 GLU 124 1HG GLU 124 -4.860 -13.477 6.923 953 HG3 GLU 124 2HG GLU 124 -3.724 -14.061 8.137 Start of MODEL 5 1 H1 MET 1 H MET 1 18.179 0.427 -12.730 2 HA MET 1 HA MET 1 16.976 -0.928 -11.112 3 HB2 MET 1 1HB MET 1 17.175 2.047 -10.508 4 HB3 MET 1 2HB MET 1 16.649 0.867 -9.291 5 HG2 MET 1 1HG MET 1 18.696 -0.396 -9.502 6 HG3 MET 1 2HG MET 1 19.244 0.606 -10.847 7 HE1 MET 1 3HE MET 1 20.948 -0.176 -8.176 8 HE2 MET 1 1HE MET 1 21.553 0.636 -9.637 9 HE3 MET 1 2HE MET 1 21.835 1.355 -8.036 10 H LYS 2 H LYS 2 15.049 -1.463 -10.116 11 HA LYS 2 HA LYS 2 12.666 -0.115 -9.955 12 HB2 LYS 2 1HB LYS 2 13.097 -1.406 -12.604 13 HB3 LYS 2 2HB LYS 2 11.712 -2.074 -11.739 14 HG2 LYS 2 1HG LYS 2 10.563 -0.060 -11.623 15 HG3 LYS 2 2HG LYS 2 11.982 0.931 -12.014 16 HD2 LYS 2 1HD LYS 2 10.882 -1.095 -13.962 17 HD3 LYS 2 2HD LYS 2 10.197 0.522 -13.851 18 HE2 LYS 2 1HE LYS 2 13.188 0.239 -14.143 19 HE3 LYS 2 2HE LYS 2 12.164 -0.047 -15.568 20 HZ1 LYS 2 3HZ LYS 2 12.160 2.434 -13.950 21 HZ2 LYS 2 1HZ LYS 2 12.859 2.268 -15.389 22 HZ3 LYS 2 2HZ LYS 2 11.226 2.141 -15.286 23 H MET 3 H MET 3 11.554 -1.419 -8.377 24 HA MET 3 HA MET 3 12.158 -4.273 -8.120 25 HB2 MET 3 1HB MET 3 13.334 -3.979 -5.998 26 HB3 MET 3 2HB MET 3 14.197 -3.170 -7.287 27 HG2 MET 3 1HG MET 3 12.632 -1.135 -6.388 28 HG3 MET 3 2HG MET 3 12.856 -2.044 -4.899 29 HE1 MET 3 3HE MET 3 16.887 -1.901 -4.808 30 HE2 MET 3 1HE MET 3 15.498 -2.944 -4.454 31 HE3 MET 3 2HE MET 3 16.206 -2.942 -6.073 32 H LYS 4 H LYS 4 10.900 -5.215 -6.224 33 HA LYS 4 HA LYS 4 8.692 -3.550 -5.228 34 HB2 LYS 4 1HB LYS 4 7.825 -3.754 -7.334 35 HB3 LYS 4 2HB LYS 4 8.530 -5.355 -7.641 36 HG2 LYS 4 1HG LYS 4 6.879 -6.471 -6.317 37 HG3 LYS 4 2HG LYS 4 6.311 -4.954 -5.630 38 HD2 LYS 4 1HD LYS 4 5.995 -4.475 -8.349 39 HD3 LYS 4 2HD LYS 4 5.721 -6.214 -8.273 40 HE2 LYS 4 1HE LYS 4 4.281 -4.019 -6.725 41 HE3 LYS 4 2HE LYS 4 3.623 -4.964 -8.062 42 HZ1 LYS 4 3HZ LYS 4 4.326 -5.975 -5.383 43 HZ2 LYS 4 1HZ LYS 4 2.816 -5.843 -6.047 44 HZ3 LYS 4 2HZ LYS 4 3.846 -6.937 -6.645 45 H LYS 5 H LYS 5 8.226 -4.316 -3.250 46 HA LYS 5 HA LYS 5 8.241 -7.251 -2.792 47 HB2 LYS 5 1HB LYS 5 9.285 -5.195 -0.769 48 HB3 LYS 5 2HB LYS 5 9.129 -6.924 -0.558 49 HG2 LYS 5 1HG LYS 5 10.763 -6.047 -2.852 50 HG3 LYS 5 2HG LYS 5 11.437 -5.779 -1.280 51 HD2 LYS 5 1HD LYS 5 11.924 -8.032 -1.052 52 HD3 LYS 5 2HD LYS 5 10.397 -8.505 -1.788 53 HE2 LYS 5 1HE LYS 5 11.990 -9.204 -3.384 54 HE3 LYS 5 2HE LYS 5 11.329 -7.724 -4.041 55 HZ1 LYS 5 3HZ LYS 5 13.311 -6.573 -3.213 56 HZ2 LYS 5 1HZ LYS 5 13.966 -8.005 -2.685 57 HZ3 LYS 5 2HZ LYS 5 13.678 -7.762 -4.270 58 H TYR 6 H TYR 6 6.997 -7.553 -0.482 59 HA TYR 6 HA TYR 6 4.395 -6.066 -0.608 60 HB2 TYR 6 1HB TYR 6 4.950 -9.041 -0.333 61 HB3 TYR 6 2HB TYR 6 3.364 -8.318 -0.230 62 HD1 TYR 6 1HD TYR 6 6.198 -8.994 -2.580 63 HD2 TYR 6 2HD TYR 6 2.058 -7.908 -2.156 64 HE1 TYR 6 1HE TYR 6 5.922 -9.274 -4.978 65 HE2 TYR 6 2HE TYR 6 1.710 -8.327 -4.552 66 HH TYR 6 HH TYR 6 4.106 -9.725 -6.677 67 H THR 7 H THR 7 2.977 -6.926 1.571 68 HA THR 7 HA THR 7 4.795 -7.528 3.761 69 HB THR 7 HB THR 7 4.021 -5.878 5.241 70 HG1 THR 7 1HG THR 7 2.426 -4.251 4.126 71 HG21 THR 7 3HG2 THR 7 4.370 -4.307 2.671 72 HG22 THR 7 1HG2 THR 7 4.553 -3.741 4.329 73 HG23 THR 7 2HG2 THR 7 5.656 -4.954 3.726 74 H LYS 8 H LYS 8 3.409 -7.756 5.750 75 HA LYS 8 HA LYS 8 1.559 -10.018 5.272 76 HB2 LYS 8 1HB LYS 8 2.778 -8.962 7.856 77 HB3 LYS 8 2HB LYS 8 1.711 -10.314 7.753 78 HG2 LYS 8 1HG LYS 8 3.415 -11.677 7.462 79 HG3 LYS 8 2HG LYS 8 3.864 -10.890 5.956 80 HD2 LYS 8 1HD LYS 8 4.673 -9.905 8.752 81 HD3 LYS 8 2HD LYS 8 5.651 -11.031 7.791 82 HE2 LYS 8 1HE LYS 8 5.636 -9.468 5.911 83 HE3 LYS 8 2HE LYS 8 4.716 -8.315 6.850 84 HZ1 LYS 8 3HZ LYS 8 6.664 -8.064 8.324 85 HZ2 LYS 8 1HZ LYS 8 7.392 -9.354 7.625 86 HZ3 LYS 8 2HZ LYS 8 7.263 -7.983 6.795 87 H THR 9 H THR 9 1.084 -6.683 5.536 88 HA THR 9 HA THR 9 -1.671 -7.164 6.531 89 HB THR 9 HB THR 9 -0.849 -5.478 7.969 90 HG1 THR 9 1HG THR 9 -2.195 -4.330 5.793 91 HG21 THR 9 3HG2 THR 9 1.210 -4.779 6.838 92 HG22 THR 9 1HG2 THR 9 0.272 -4.079 5.493 93 HG23 THR 9 2HG2 THR 9 0.169 -3.376 7.106 94 H HIS 10 H HIS 10 -0.933 -8.341 4.128 95 HA HIS 10 HA HIS 10 -1.421 -8.397 1.958 96 HB2 HIS 10 1HB HIS 10 -3.860 -7.934 1.640 97 HB3 HIS 10 2HB HIS 10 -3.442 -8.983 2.950 98 HD1 HIS 10 1HD HIS 10 -4.365 -5.302 2.501 99 HD2 HIS 10 2HD HIS 10 -4.457 -8.453 5.298 100 HE1 HIS 10 1HE HIS 10 -5.879 -4.520 4.458 101 HE2 HIS 10 2HE HIS 10 -5.755 -6.372 6.240 102 H GLU 11 H GLU 11 0.356 -6.605 1.876 103 HA GLU 11 HA GLU 11 -0.698 -4.178 0.503 104 HB2 GLU 11 1HB GLU 11 0.240 -4.200 3.002 105 HB3 GLU 11 2HB GLU 11 1.792 -4.308 2.118 106 HG2 GLU 11 1HG GLU 11 1.298 -2.172 1.008 107 HG3 GLU 11 2HG GLU 11 -0.233 -2.060 1.916 108 H TRP 12 H TRP 12 0.659 -3.385 -1.124 109 HA TRP 12 HA TRP 12 3.115 -4.959 -1.804 110 HB2 TRP 12 1HB TRP 12 2.662 -4.484 -4.174 111 HB3 TRP 12 2HB TRP 12 1.474 -5.536 -3.431 112 HD1 TRP 12 HD TRP 12 -0.998 -4.801 -3.521 113 HE1 TRP 12 1HE TRP 12 -2.296 -2.839 -4.535 114 HE3 TRP 12 3HE TRP 12 2.938 -1.730 -4.646 115 HZ2 TRP 12 2HZ TRP 12 -1.664 -0.385 -5.918 116 HZ3 TRP 12 3HZ TRP 12 2.549 0.380 -5.876 117 HH2 TRP 12 HH TRP 12 0.295 1.006 -6.603 118 H VAL 13 H VAL 13 4.760 -3.778 -2.949 119 HA VAL 13 HA VAL 13 4.770 -0.827 -2.688 120 HB VAL 13 HB VAL 13 6.707 -2.943 -1.806 121 HG11 VAL 13 1HG1 VAL 13 8.653 -1.560 -1.794 122 HG12 VAL 13 2HG1 VAL 13 8.174 -2.055 -3.418 123 HG13 VAL 13 3HG1 VAL 13 7.845 -0.410 -2.871 124 HG21 VAL 13 3HG2 VAL 13 5.341 -1.684 -0.237 125 HG22 VAL 13 1HG2 VAL 13 7.077 -1.492 0.031 126 HG23 VAL 13 2HG2 VAL 13 6.155 -0.187 -0.752 127 H SER 14 H SER 14 6.044 0.175 -4.407 128 HA SER 14 HA SER 14 6.939 -1.414 -6.737 129 HB2 SER 14 1HB SER 14 4.496 0.208 -6.552 130 HB3 SER 14 2HB SER 14 5.632 0.873 -7.700 131 HG SER 14 HG SER 14 4.629 -0.578 -8.936 132 H ILE 15 H ILE 15 9.116 -0.711 -6.443 133 HA ILE 15 HA ILE 15 9.575 2.190 -6.002 134 HB ILE 15 HB ILE 15 11.118 -0.258 -5.253 135 HG12 ILE 15 1HG1 ILE 15 10.509 2.152 -3.543 136 HG13 ILE 15 2HG1 ILE 15 9.248 0.964 -3.907 137 HG21 ILE 15 1HG2 ILE 15 12.779 1.359 -6.272 138 HG22 ILE 15 2HG2 ILE 15 12.187 2.615 -5.169 139 HG23 ILE 15 3HG2 ILE 15 13.001 1.157 -4.554 140 HD11 ILE 15 3HD1 ILE 15 10.236 0.367 -1.844 141 HD12 ILE 15 1HD1 ILE 15 10.629 -0.854 -3.062 142 HD13 ILE 15 2HD1 ILE 15 11.862 0.344 -2.578 143 H GLU 16 H GLU 16 9.257 2.892 -8.020 144 HA GLU 16 HA GLU 16 10.672 1.571 -10.204 145 HB2 GLU 16 1HB GLU 16 9.831 3.334 -11.660 146 HB3 GLU 16 2HB GLU 16 8.596 2.443 -10.769 147 HG2 GLU 16 1HG GLU 16 8.418 4.385 -9.168 148 HG3 GLU 16 2HG GLU 16 9.545 5.279 -10.194 149 H ASP 17 H ASP 17 11.113 4.653 -8.410 150 HA ASP 17 HA ASP 17 13.901 4.749 -9.521 151 HB2 ASP 17 1HB ASP 17 11.719 6.629 -9.854 152 HB3 ASP 17 2HB ASP 17 13.028 7.398 -8.958 153 H LYS 18 H LYS 18 12.145 6.630 -7.033 154 HA LYS 18 HA LYS 18 14.019 5.662 -4.905 155 HB2 LYS 18 1HB LYS 18 13.208 8.562 -5.368 156 HB3 LYS 18 2HB LYS 18 14.240 7.962 -4.088 157 HG2 LYS 18 1HG LYS 18 15.949 7.273 -5.655 158 HG3 LYS 18 2HG LYS 18 14.982 7.811 -7.043 159 HD2 LYS 18 1HD LYS 18 15.842 9.668 -4.789 160 HD3 LYS 18 2HD LYS 18 16.795 9.378 -6.245 161 HE2 LYS 18 1HE LYS 18 15.619 10.798 -7.468 162 HE3 LYS 18 2HE LYS 18 14.106 9.974 -7.086 163 HZ1 LYS 18 3HZ LYS 18 15.369 12.092 -5.445 164 HZ2 LYS 18 1HZ LYS 18 14.013 12.257 -6.391 165 HZ3 LYS 18 2HZ LYS 18 14.013 11.307 -5.049 166 H VAL 19 H VAL 19 10.957 5.426 -5.739 167 HA VAL 19 HA VAL 19 9.790 6.308 -3.183 168 HB VAL 19 HB VAL 19 8.829 7.060 -5.983 169 HG11 VAL 19 1HG1 VAL 19 7.732 8.003 -3.312 170 HG12 VAL 19 2HG1 VAL 19 7.077 8.315 -4.932 171 HG13 VAL 19 3HG1 VAL 19 7.034 6.671 -4.265 172 HG21 VAL 19 3HG2 VAL 19 9.229 9.432 -5.205 173 HG22 VAL 19 1HG2 VAL 19 10.106 8.784 -3.809 174 HG23 VAL 19 2HG2 VAL 19 10.700 8.512 -5.465 175 H ALA 20 H ALA 20 8.567 4.617 -2.430 176 HA ALA 20 HA ALA 20 7.653 2.439 -4.279 177 HB1 ALA 20 1HB ALA 20 8.493 1.750 -1.977 178 HB2 ALA 20 2HB ALA 20 7.221 2.752 -1.263 179 HB3 ALA 20 3HB ALA 20 6.796 1.347 -2.261 180 H THR 21 H THR 21 5.989 2.807 -5.308 181 HA THR 21 HA THR 21 3.677 4.360 -4.290 182 HB THR 21 HB THR 21 3.882 2.325 -6.552 183 HG1 THR 21 1HG THR 21 4.382 3.973 -7.797 184 HG21 THR 21 3HG2 THR 21 1.767 3.198 -7.368 185 HG22 THR 21 1HG2 THR 21 1.532 2.682 -5.690 186 HG23 THR 21 2HG2 THR 21 1.681 4.394 -6.066 187 H VAL 22 H VAL 22 2.177 3.498 -2.889 188 HA VAL 22 HA VAL 22 2.368 0.616 -2.198 189 HB VAL 22 HB VAL 22 1.497 2.966 -0.460 190 HG11 VAL 22 1HG1 VAL 22 0.642 0.737 0.269 191 HG12 VAL 22 2HG1 VAL 22 2.302 0.129 0.342 192 HG13 VAL 22 3HG1 VAL 22 1.755 1.445 1.413 193 HG21 VAL 22 3HG2 VAL 22 4.248 1.718 -0.805 194 HG22 VAL 22 1HG2 VAL 22 3.779 3.440 -0.819 195 HG23 VAL 22 2HG2 VAL 22 3.770 2.533 0.694 196 H GLY 23 H GLY 23 0.490 -0.546 -2.005 197 HA2 GLY 23 1HA GLY 23 -2.098 0.659 -1.774 198 HA3 GLY 23 2HA GLY 23 -1.887 -0.165 -3.310 199 H ILE 24 H ILE 24 -3.733 -1.400 -1.881 200 HA ILE 24 HA ILE 24 -2.381 -3.565 -0.367 201 HB ILE 24 HB ILE 24 -4.651 -4.216 0.385 202 HG12 ILE 24 1HG1 ILE 24 -5.502 -1.384 -0.290 203 HG13 ILE 24 2HG1 ILE 24 -5.838 -2.738 -1.379 204 HG21 ILE 24 1HG2 ILE 24 -2.916 -3.016 1.754 205 HG22 ILE 24 2HG2 ILE 24 -3.672 -1.486 1.306 206 HG23 ILE 24 3HG2 ILE 24 -4.572 -2.684 2.258 207 HD11 ILE 24 3HD1 ILE 24 -6.691 -2.975 1.529 208 HD12 ILE 24 1HD1 ILE 24 -7.621 -1.991 0.395 209 HD13 ILE 24 2HD1 ILE 24 -7.396 -3.703 0.058 210 H THR 25 H THR 25 -2.941 -5.721 -0.772 211 HA THR 25 HA THR 25 -2.949 -6.330 -3.576 212 HB THR 25 HB THR 25 -2.789 -8.687 -2.632 213 HG1 THR 25 1HG THR 25 -2.709 -8.926 -0.413 214 HG21 THR 25 3HG2 THR 25 -0.905 -6.533 -1.515 215 HG22 THR 25 1HG2 THR 25 -0.550 -8.256 -1.555 216 HG23 THR 25 2HG2 THR 25 -0.762 -7.370 -3.073 217 H ASN 26 H ASN 26 -4.281 -8.193 -4.427 218 HA ASN 26 HA ASN 26 -7.089 -7.457 -4.422 219 HB2 ASN 26 1HB ASN 26 -5.482 -8.581 -6.266 220 HB3 ASN 26 2HB ASN 26 -6.067 -10.076 -5.551 221 HD21 ASN 26 1HD2 ASN 26 -8.961 -9.023 -5.137 222 HD22 ASN 26 2HD2 ASN 26 -9.516 -8.747 -6.780 223 H HIS 27 H HIS 27 -5.215 -9.870 -2.638 224 HA HIS 27 HA HIS 27 -7.469 -11.350 -1.592 225 HB2 HIS 27 1HB HIS 27 -5.097 -12.091 -1.531 226 HB3 HIS 27 2HB HIS 27 -4.738 -10.807 -0.405 227 HD1 HIS 27 1HD HIS 27 -5.487 -14.439 -0.333 228 HD2 HIS 27 2HD HIS 27 -6.189 -11.020 2.082 229 HE1 HIS 27 1HE HIS 27 -5.730 -15.261 2.051 230 HE2 HIS 27 2HE HIS 27 -6.160 -13.219 3.509 231 H ALA 28 H ALA 28 -6.094 -8.146 -0.790 232 HA ALA 28 HA ALA 28 -7.323 -7.922 1.779 233 HB1 ALA 28 1HB ALA 28 -6.621 -5.717 -0.176 234 HB2 ALA 28 2HB ALA 28 -6.745 -5.596 1.590 235 HB3 ALA 28 3HB ALA 28 -5.416 -6.530 0.835 236 H GLN 29 H GLN 29 -8.295 -6.744 -1.453 237 HA GLN 29 HA GLN 29 -10.690 -5.490 -0.534 238 HB2 GLN 29 1HB GLN 29 -11.199 -5.155 -2.839 239 HB3 GLN 29 2HB GLN 29 -9.507 -4.937 -2.570 240 HG2 GLN 29 1HG GLN 29 -9.646 -6.014 -4.627 241 HG3 GLN 29 2HG GLN 29 -9.037 -7.150 -3.485 242 HE21 GLN 29 1HE2 GLN 29 -10.086 -9.153 -3.409 243 HE22 GLN 29 2HE2 GLN 29 -11.692 -9.393 -4.145 244 H GLU 30 H GLU 30 -9.922 -8.864 -1.062 245 HA GLU 30 HA GLU 30 -12.587 -9.832 -1.274 246 HB2 GLU 30 1HB GLU 30 -9.887 -10.865 -1.282 247 HB3 GLU 30 2HB GLU 30 -10.841 -11.821 -0.151 248 HG2 GLU 30 1HG GLU 30 -11.547 -11.222 -3.056 249 HG3 GLU 30 2HG GLU 30 -10.825 -12.706 -2.467 250 H GLN 31 H GLN 31 -11.106 -8.362 1.522 251 HA GLN 31 HA GLN 31 -13.356 -9.446 2.991 252 HB2 GLN 31 1HB GLN 31 -12.399 -8.654 5.023 253 HB3 GLN 31 2HB GLN 31 -11.679 -9.989 4.098 254 HG2 GLN 31 1HG GLN 31 -10.062 -8.834 3.252 255 HG3 GLN 31 2HG GLN 31 -10.497 -7.264 4.003 256 HE21 GLN 31 1HE2 GLN 31 -11.074 -7.854 6.614 257 HE22 GLN 31 2HE2 GLN 31 -9.765 -8.704 7.412 258 H LEU 32 H LEU 32 -11.970 -6.493 1.787 259 HA LEU 32 HA LEU 32 -13.785 -4.724 3.221 260 HB2 LEU 32 1HB LEU 32 -11.978 -4.258 0.840 261 HB3 LEU 32 2HB LEU 32 -13.093 -3.044 1.375 262 HG LEU 32 HG LEU 32 -11.546 -4.138 3.631 263 HD11 LEU 32 1HD1 LEU 32 -9.444 -3.074 3.078 264 HD12 LEU 32 2HD1 LEU 32 -9.826 -4.370 1.942 265 HD13 LEU 32 3HD1 LEU 32 -10.046 -2.664 1.445 266 HD21 LEU 32 3HD2 LEU 32 -12.916 -2.048 3.773 267 HD22 LEU 32 1HD2 LEU 32 -11.252 -1.747 4.174 268 HD23 LEU 32 2HD2 LEU 32 -11.861 -1.279 2.570 269 H GLY 33 H GLY 33 -13.823 -5.995 -0.141 270 HA2 GLY 33 1HA GLY 33 -15.406 -5.928 -1.753 271 HA3 GLY 33 2HA GLY 33 -16.636 -5.797 -0.488 272 H ASP 34 H ASP 34 -17.834 -4.302 -1.568 273 HA ASP 34 HA ASP 34 -17.247 -2.056 -2.982 274 HB2 ASP 34 1HB ASP 34 -19.542 -2.759 -1.125 275 HB3 ASP 34 2HB ASP 34 -19.499 -1.225 -2.013 276 H VAL 35 H VAL 35 -15.970 -0.319 -2.456 277 HA VAL 35 HA VAL 35 -16.110 0.645 0.348 278 HB VAL 35 HB VAL 35 -14.056 -0.351 -0.242 279 HG11 VAL 35 1HG1 VAL 35 -13.662 1.734 -2.122 280 HG12 VAL 35 2HG1 VAL 35 -12.285 1.226 -1.116 281 HG13 VAL 35 3HG1 VAL 35 -13.118 0.008 -2.059 282 HG21 VAL 35 3HG2 VAL 35 -13.295 2.391 0.564 283 HG22 VAL 35 1HG2 VAL 35 -14.615 1.693 1.493 284 HG23 VAL 35 2HG2 VAL 35 -13.090 0.821 1.392 285 H VAL 36 H VAL 36 -15.544 2.828 0.589 286 HA VAL 36 HA VAL 36 -17.268 4.633 -0.982 287 HB VAL 36 HB VAL 36 -18.197 4.869 1.570 288 HG11 VAL 36 1HG1 VAL 36 -19.585 4.604 -0.459 289 HG12 VAL 36 2HG1 VAL 36 -19.270 2.855 -0.450 290 HG13 VAL 36 3HG1 VAL 36 -20.190 3.595 0.871 291 HG21 VAL 36 3HG2 VAL 36 -18.647 2.826 2.681 292 HG22 VAL 36 1HG2 VAL 36 -17.994 1.849 1.346 293 HG23 VAL 36 2HG2 VAL 36 -16.921 2.843 2.340 294 H TYR 37 H TYR 37 -14.784 3.997 1.486 295 HA TYR 37 HA TYR 37 -13.995 6.820 1.233 296 HB2 TYR 37 1HB TYR 37 -15.446 6.804 3.287 297 HB3 TYR 37 2HB TYR 37 -14.432 5.534 3.964 298 HD1 TYR 37 1HD TYR 37 -13.956 8.909 2.308 299 HD2 TYR 37 2HD TYR 37 -12.708 6.204 5.451 300 HE1 TYR 37 1HE TYR 37 -12.224 10.486 2.962 301 HE2 TYR 37 2HE TYR 37 -10.971 7.781 6.127 302 HH TYR 37 HH TYR 37 -9.751 9.733 5.416 303 H VAL 38 H VAL 38 -11.808 7.159 1.502 304 HA VAL 38 HA VAL 38 -10.067 5.092 2.601 305 HB VAL 38 HB VAL 38 -9.498 6.401 -0.092 306 HG11 VAL 38 1HG1 VAL 38 -7.568 5.720 1.208 307 HG12 VAL 38 2HG1 VAL 38 -8.180 4.050 1.291 308 HG13 VAL 38 3HG1 VAL 38 -7.718 4.778 -0.269 309 HG21 VAL 38 3HG2 VAL 38 -9.847 4.135 -1.181 310 HG22 VAL 38 1HG2 VAL 38 -10.835 3.728 0.229 311 HG23 VAL 38 2HG2 VAL 38 -11.266 5.094 -0.791 312 H ASP 39 H ASP 39 -8.700 5.884 3.905 313 HA ASP 39 HA ASP 39 -8.506 8.748 4.092 314 HB2 ASP 39 1HB ASP 39 -8.554 7.605 6.232 315 HB3 ASP 39 2HB ASP 39 -7.345 6.430 5.700 316 H LEU 40 H LEU 40 -6.680 9.915 3.576 317 HA LEU 40 HA LEU 40 -4.363 8.511 2.383 318 HB2 LEU 40 1HB LEU 40 -5.732 10.954 1.195 319 HB3 LEU 40 2HB LEU 40 -4.220 10.292 0.638 320 HG LEU 40 HG LEU 40 -6.881 8.767 0.561 321 HD11 LEU 40 1HD1 LEU 40 -6.881 9.263 -1.828 322 HD12 LEU 40 2HD1 LEU 40 -6.928 10.746 -0.880 323 HD13 LEU 40 3HD1 LEU 40 -5.406 10.247 -1.659 324 HD21 LEU 40 3HD2 LEU 40 -4.982 7.234 0.586 325 HD22 LEU 40 1HD2 LEU 40 -5.606 7.321 -1.065 326 HD23 LEU 40 2HD2 LEU 40 -4.125 8.211 -0.625 327 HA PRO 41 HA PRO 41 -2.565 11.352 5.268 328 HB2 PRO 41 1HB PRO 41 0.092 10.878 4.833 329 HB3 PRO 41 2HB PRO 41 -1.027 9.715 5.557 330 HG2 PRO 41 1HG PRO 41 0.015 9.768 2.736 331 HG3 PRO 41 2HG PRO 41 -0.329 8.353 3.774 332 HD2 PRO 41 1HD PRO 41 -2.022 9.404 1.790 333 HD3 PRO 41 2HD PRO 41 -2.456 8.257 3.086 334 H GLU 42 H GLU 42 -0.573 13.067 5.267 335 HA GLU 42 HA GLU 42 -0.953 14.976 3.094 336 HB2 GLU 42 1HB GLU 42 -0.593 15.632 5.524 337 HB3 GLU 42 2HB GLU 42 1.020 14.903 5.402 338 HG2 GLU 42 1HG GLU 42 1.338 16.592 3.375 339 HG3 GLU 42 2HG GLU 42 -0.093 17.374 4.039 340 H VAL 43 H VAL 43 0.629 15.398 1.566 341 HA VAL 43 HA VAL 43 2.317 13.341 0.650 342 HB VAL 43 HB VAL 43 0.869 15.288 -0.444 343 HG11 VAL 43 1HG1 VAL 43 2.344 17.099 0.579 344 HG12 VAL 43 2HG1 VAL 43 3.599 16.601 -0.590 345 HG13 VAL 43 3HG1 VAL 43 2.052 17.215 -1.177 346 HG21 VAL 43 3HG2 VAL 43 2.011 13.499 -1.683 347 HG22 VAL 43 1HG2 VAL 43 1.951 15.047 -2.544 348 HG23 VAL 43 2HG2 VAL 43 3.460 14.542 -1.768 349 H GLY 44 H GLY 44 3.105 14.436 3.196 350 HA2 GLY 44 1HA GLY 44 6.008 14.637 2.863 351 HA3 GLY 44 2HA GLY 44 5.275 16.119 3.493 352 H ARG 45 H ARG 45 3.620 13.194 4.420 353 HA ARG 45 HA ARG 45 4.416 13.699 7.219 354 HB2 ARG 45 1HB ARG 45 2.084 13.034 6.440 355 HB3 ARG 45 2HB ARG 45 2.729 11.405 6.154 356 HG2 ARG 45 1HG ARG 45 3.389 11.280 8.559 357 HG3 ARG 45 2HG ARG 45 2.757 12.917 8.814 358 HD2 ARG 45 1HD ARG 45 0.532 12.176 8.142 359 HD3 ARG 45 2HD ARG 45 1.136 10.525 7.824 360 HE ARG 45 HE ARG 45 1.831 11.046 10.463 361 HH11 ARG 45 2HH2 ARG 45 -1.157 10.553 8.545 362 HH12 ARG 45 1HH2 ARG 45 -2.070 10.034 9.899 363 HH21 ARG 45 2HH1 ARG 45 0.433 10.598 12.318 364 HH22 ARG 45 1HH1 ARG 45 -1.079 9.848 12.003 365 H GLU 46 H GLU 46 5.958 12.513 8.404 366 HA GLU 46 HA GLU 46 7.529 10.438 6.980 367 HB2 GLU 46 1HB GLU 46 7.800 11.933 9.601 368 HB3 GLU 46 2HB GLU 46 8.500 10.341 9.452 369 HG2 GLU 46 1HG GLU 46 9.362 11.507 7.105 370 HG3 GLU 46 2HG GLU 46 9.306 12.883 8.136 371 H VAL 47 H VAL 47 7.613 8.231 7.736 372 HA VAL 47 HA VAL 47 5.639 7.451 9.769 373 HB VAL 47 HB VAL 47 4.740 5.682 8.332 374 HG11 VAL 47 1HG1 VAL 47 3.274 6.965 6.938 375 HG12 VAL 47 2HG1 VAL 47 3.520 7.831 8.472 376 HG13 VAL 47 3HG1 VAL 47 4.328 8.380 6.987 377 HG21 VAL 47 3HG2 VAL 47 6.040 6.990 5.925 378 HG22 VAL 47 1HG2 VAL 47 6.744 5.576 6.737 379 HG23 VAL 47 2HG2 VAL 47 5.142 5.459 6.034 380 H LYS 48 H LYS 48 5.795 5.043 10.061 381 HA LYS 48 HA LYS 48 8.555 3.921 9.862 382 HB2 LYS 48 1HB LYS 48 6.320 3.673 11.935 383 HB3 LYS 48 2HB LYS 48 7.550 2.436 11.790 384 HG2 LYS 48 1HG LYS 48 9.328 3.871 12.373 385 HG3 LYS 48 2HG LYS 48 8.329 5.329 12.241 386 HD2 LYS 48 1HD LYS 48 7.005 4.744 14.144 387 HD3 LYS 48 2HD LYS 48 7.678 3.108 14.233 388 HE2 LYS 48 1HE LYS 48 9.373 5.611 14.515 389 HE3 LYS 48 2HE LYS 48 8.570 4.860 15.906 390 HZ1 LYS 48 3HZ LYS 48 10.834 4.089 15.715 391 HZ2 LYS 48 1HZ LYS 48 9.818 2.836 15.420 392 HZ3 LYS 48 2HZ LYS 48 10.603 3.583 14.187 393 H LYS 49 H LYS 49 8.298 1.463 9.774 394 HA LYS 49 HA LYS 49 6.783 0.722 7.456 395 HB2 LYS 49 1HB LYS 49 8.153 -1.245 7.577 396 HB3 LYS 49 2HB LYS 49 9.108 0.051 8.269 397 HG2 LYS 49 1HG LYS 49 9.504 -1.384 9.963 398 HG3 LYS 49 2HG LYS 49 7.950 -0.871 10.546 399 HD2 LYS 49 1HD LYS 49 7.391 -2.989 8.724 400 HD3 LYS 49 2HD LYS 49 8.847 -3.500 9.573 401 HE2 LYS 49 1HE LYS 49 7.784 -3.263 11.716 402 HE3 LYS 49 2HE LYS 49 6.415 -2.376 11.017 403 HZ1 LYS 49 3HZ LYS 49 5.932 -4.677 11.521 404 HZ2 LYS 49 1HZ LYS 49 5.664 -4.316 9.945 405 HZ3 LYS 49 2HZ LYS 49 7.000 -5.187 10.341 406 H GLY 50 H GLY 50 5.201 1.339 9.894 407 HA2 GLY 50 1HA GLY 50 3.180 -0.564 9.343 408 HA3 GLY 50 2HA GLY 50 3.857 -0.944 10.928 409 H GLU 51 H GLU 51 2.912 2.088 9.098 410 HA GLU 51 HA GLU 51 1.309 2.954 11.439 411 HB2 GLU 51 1HB GLU 51 3.295 4.358 9.610 412 HB3 GLU 51 2HB GLU 51 1.823 5.183 10.045 413 HG2 GLU 51 1HG GLU 51 2.636 4.267 12.520 414 HG3 GLU 51 2HG GLU 51 4.175 4.588 11.722 415 H VAL 52 H VAL 52 -0.781 3.374 10.945 416 HA VAL 52 HA VAL 52 -1.826 2.205 8.563 417 HB VAL 52 HB VAL 52 -2.845 1.318 10.200 418 HG11 VAL 52 1HG1 VAL 52 -3.450 2.120 12.384 419 HG12 VAL 52 2HG1 VAL 52 -1.731 2.253 12.080 420 HG13 VAL 52 3HG1 VAL 52 -2.744 3.722 11.986 421 HG21 VAL 52 3HG2 VAL 52 -5.069 2.122 10.831 422 HG22 VAL 52 1HG2 VAL 52 -4.656 3.756 10.335 423 HG23 VAL 52 2HG2 VAL 52 -4.786 2.462 9.127 424 H VAL 53 H VAL 53 -0.572 4.702 8.036 425 HA VAL 53 HA VAL 53 -2.361 6.876 7.998 426 HB VAL 53 HB VAL 53 -0.588 7.904 6.552 427 HG11 VAL 53 1HG1 VAL 53 1.174 7.859 8.156 428 HG12 VAL 53 2HG1 VAL 53 -0.373 7.783 9.024 429 HG13 VAL 53 3HG1 VAL 53 0.591 6.310 8.809 430 HG21 VAL 53 3HG2 VAL 53 0.746 5.158 6.623 431 HG22 VAL 53 1HG2 VAL 53 -0.038 5.873 5.200 432 HG23 VAL 53 2HG2 VAL 53 1.379 6.649 5.891 433 H ALA 54 H ALA 54 -3.340 4.391 6.384 434 HA ALA 54 HA ALA 54 -4.686 5.969 4.414 435 HB1 ALA 54 1HB ALA 54 -2.794 5.363 3.082 436 HB2 ALA 54 2HB ALA 54 -2.931 3.620 3.537 437 HB3 ALA 54 3HB ALA 54 -4.175 4.435 2.521 438 H SER 55 H SER 55 -5.728 5.086 6.610 439 HA SER 55 HA SER 55 -6.766 2.417 6.686 440 HB2 SER 55 1HB SER 55 -6.910 4.653 8.304 441 HB3 SER 55 2HB SER 55 -8.523 4.630 7.628 442 HG SER 55 HG SER 55 -7.320 2.895 9.402 443 H ILE 56 H ILE 56 -8.992 1.760 6.251 444 HA ILE 56 HA ILE 56 -10.303 3.230 4.039 445 HB ILE 56 HB ILE 56 -9.990 0.255 3.787 446 HG12 ILE 56 1HG1 ILE 56 -7.845 2.080 2.795 447 HG13 ILE 56 2HG1 ILE 56 -7.629 0.802 3.997 448 HG21 ILE 56 1HG2 ILE 56 -10.532 0.759 1.452 449 HG22 ILE 56 2HG2 ILE 56 -11.555 1.796 2.428 450 HG23 ILE 56 3HG2 ILE 56 -10.085 2.471 1.704 451 HD11 ILE 56 3HD1 ILE 56 -6.827 -0.022 1.893 452 HD12 ILE 56 1HD1 ILE 56 -8.315 -0.882 2.328 453 HD13 ILE 56 2HD1 ILE 56 -8.330 0.392 1.070 454 H GLU 57 H GLU 57 -12.551 3.116 4.233 455 HA GLU 57 HA GLU 57 -13.688 1.153 6.136 456 HB2 GLU 57 1HB GLU 57 -14.003 4.164 6.143 457 HB3 GLU 57 2HB GLU 57 -15.390 3.165 6.555 458 HG2 GLU 57 1HG GLU 57 -14.089 1.859 8.170 459 HG3 GLU 57 2HG GLU 57 -12.652 2.826 7.839 460 H SER 58 H SER 58 -14.854 -0.141 4.965 461 HA SER 58 HA SER 58 -16.131 0.768 2.460 462 HB2 SER 58 1HB SER 58 -15.915 -1.480 1.714 463 HB3 SER 58 2HB SER 58 -14.390 -1.068 2.452 464 HG SER 58 HG SER 58 -15.624 -3.113 2.877 465 H VAL 59 H VAL 59 -18.042 -1.231 2.196 466 HA VAL 59 HA VAL 59 -20.274 -0.296 3.487 467 HB VAL 59 HB VAL 59 -21.200 -2.640 3.022 468 HG11 VAL 59 1HG1 VAL 59 -21.535 -0.777 1.509 469 HG12 VAL 59 2HG1 VAL 59 -19.933 -0.987 0.795 470 HG13 VAL 59 3HG1 VAL 59 -21.176 -2.231 0.574 471 HG21 VAL 59 3HG2 VAL 59 -18.478 -3.047 1.668 472 HG22 VAL 59 1HG2 VAL 59 -19.065 -3.917 3.103 473 HG23 VAL 59 2HG2 VAL 59 -19.885 -4.088 1.549 474 H LYS 60 H LYS 60 -17.983 -2.674 4.905 475 HA LYS 60 HA LYS 60 -18.552 -1.497 7.342 476 HB2 LYS 60 1HB LYS 60 -20.547 -3.392 7.009 477 HB3 LYS 60 2HB LYS 60 -19.364 -4.304 7.923 478 HG2 LYS 60 1HG LYS 60 -19.296 -2.604 9.667 479 HG3 LYS 60 2HG LYS 60 -20.278 -1.500 8.695 480 HD2 LYS 60 1HD LYS 60 -22.216 -2.971 8.864 481 HD3 LYS 60 2HD LYS 60 -21.253 -4.162 9.791 482 HE2 LYS 60 1HE LYS 60 -20.782 -2.438 11.500 483 HE3 LYS 60 2HE LYS 60 -21.727 -1.254 10.608 484 HZ1 LYS 60 3HZ LYS 60 -22.931 -2.219 12.426 485 HZ2 LYS 60 1HZ LYS 60 -23.700 -2.616 11.039 486 HZ3 LYS 60 2HZ LYS 60 -22.783 -3.742 11.817 487 H ALA 61 H ALA 61 -16.220 -2.626 5.642 488 HA ALA 61 HA ALA 61 -14.805 -4.014 7.857 489 HB1 ALA 61 1HB ALA 61 -14.505 -5.105 5.621 490 HB2 ALA 61 2HB ALA 61 -13.863 -3.568 5.000 491 HB3 ALA 61 3HB ALA 61 -12.997 -4.409 6.271 492 H ALA 62 H ALA 62 -13.279 -2.835 8.894 493 HA ALA 62 HA ALA 62 -12.440 -0.224 7.758 494 HB1 ALA 62 1HB ALA 62 -13.544 0.162 9.905 495 HB2 ALA 62 2HB ALA 62 -12.464 -1.029 10.681 496 HB3 ALA 62 3HB ALA 62 -11.794 0.474 9.998 497 H ALA 63 H ALA 63 -10.349 -0.352 7.049 498 HA ALA 63 HA ALA 63 -8.725 -2.749 7.828 499 HB1 ALA 63 1HB ALA 63 -9.111 -1.671 5.025 500 HB2 ALA 63 2HB ALA 63 -8.212 -3.123 5.517 501 HB3 ALA 63 3HB ALA 63 -9.966 -3.086 5.695 502 H ASP 64 H ASP 64 -7.405 -1.582 9.172 503 HA ASP 64 HA ASP 64 -6.011 0.826 8.583 504 HB2 ASP 64 1HB ASP 64 -5.083 -1.606 10.243 505 HB3 ASP 64 2HB ASP 64 -4.483 0.001 10.361 506 H VAL 65 H VAL 65 -4.812 1.092 6.682 507 HA VAL 65 HA VAL 65 -3.396 -1.203 5.617 508 HB VAL 65 HB VAL 65 -3.500 1.604 4.637 509 HG11 VAL 65 1HG1 VAL 65 -2.220 -0.975 3.549 510 HG12 VAL 65 2HG1 VAL 65 -2.516 0.426 2.525 511 HG13 VAL 65 3HG1 VAL 65 -1.391 0.563 3.872 512 HG21 VAL 65 3HG2 VAL 65 -4.821 -0.920 3.570 513 HG22 VAL 65 1HG2 VAL 65 -5.623 0.385 4.451 514 HG23 VAL 65 2HG2 VAL 65 -4.918 0.720 2.867 515 H TYR 66 H TYR 66 -1.616 -1.586 7.218 516 HA TYR 66 HA TYR 66 -0.217 0.808 8.132 517 HB2 TYR 66 1HB TYR 66 0.754 -2.009 8.698 518 HB3 TYR 66 2HB TYR 66 1.085 -0.519 9.534 519 HD1 TYR 66 2HD TYR 66 -1.415 -3.143 8.933 520 HD2 TYR 66 1HD TYR 66 -0.402 0.369 11.213 521 HE1 TYR 66 2HE TYR 66 -3.041 -3.804 10.566 522 HE2 TYR 66 1HE TYR 66 -2.119 -0.254 12.914 523 HH TYR 66 HH TYR 66 -3.932 -3.316 12.732 524 H ALA 67 H ALA 67 1.033 1.775 6.900 525 HA ALA 67 HA ALA 67 2.084 1.348 4.548 526 HB1 ALA 67 1HB ALA 67 3.525 2.745 6.839 527 HB2 ALA 67 2HB ALA 67 3.757 3.064 5.103 528 HB3 ALA 67 3HB ALA 67 2.195 3.453 5.855 529 HA PRO 68 HA PRO 68 4.880 -1.769 4.674 530 HB2 PRO 68 1HB PRO 68 6.351 -1.576 2.362 531 HB3 PRO 68 2HB PRO 68 4.568 -1.783 2.382 532 HG2 PRO 68 1HG PRO 68 6.136 0.823 2.130 533 HG3 PRO 68 2HG PRO 68 4.763 0.224 1.123 534 HD2 PRO 68 1HD PRO 68 4.358 1.955 3.177 535 HD3 PRO 68 2HD PRO 68 3.216 0.665 2.782 536 H LEU 69 H LEU 69 6.836 1.247 4.452 537 HA LEU 69 HA LEU 69 9.166 -0.093 5.720 538 HB2 LEU 69 1HB LEU 69 9.176 1.415 3.083 539 HB3 LEU 69 2HB LEU 69 10.598 1.109 4.018 540 HG LEU 69 HG LEU 69 9.182 -1.412 3.499 541 HD11 LEU 69 1HD1 LEU 69 8.348 -0.164 1.535 542 HD12 LEU 69 2HD1 LEU 69 10.020 0.186 1.054 543 HD13 LEU 69 3HD1 LEU 69 9.432 -1.500 1.091 544 HD21 LEU 69 3HD2 LEU 69 11.453 -1.350 4.211 545 HD22 LEU 69 1HD2 LEU 69 11.451 -1.964 2.550 546 HD23 LEU 69 2HD2 LEU 69 11.938 -0.298 2.856 547 H SER 70 H SER 70 10.310 1.427 6.998 548 HA SER 70 HA SER 70 9.228 3.984 7.582 549 HB2 SER 70 1HB SER 70 12.169 3.341 7.655 550 HB3 SER 70 2HB SER 70 11.239 4.461 8.686 551 HG SER 70 HG SER 70 11.981 2.385 9.485 552 H GLY 71 H GLY 71 9.353 5.893 6.584 553 HA2 GLY 71 1HA GLY 71 10.951 6.779 4.462 554 HA3 GLY 71 2HA GLY 71 9.621 5.798 3.816 555 H LYS 72 H LYS 72 9.119 8.131 2.997 556 HA LYS 72 HA LYS 72 7.477 9.667 4.983 557 HB2 LYS 72 1HB LYS 72 9.442 11.083 3.205 558 HB3 LYS 72 2HB LYS 72 8.665 11.618 4.685 559 HG2 LYS 72 1HG LYS 72 10.109 9.948 5.956 560 HG3 LYS 72 2HG LYS 72 10.913 9.536 4.460 561 HD2 LYS 72 1HD LYS 72 10.847 12.419 5.375 562 HD3 LYS 72 2HD LYS 72 12.027 11.288 6.027 563 HE2 LYS 72 1HE LYS 72 11.598 11.721 3.045 564 HE3 LYS 72 2HE LYS 72 12.793 12.606 3.996 565 HZ1 LYS 72 3HZ LYS 72 13.902 10.561 4.508 566 HZ2 LYS 72 1HZ LYS 72 12.765 9.639 3.805 567 HZ3 LYS 72 2HZ LYS 72 13.674 10.641 2.863 568 H ILE 73 H ILE 73 5.596 10.359 3.967 569 HA ILE 73 HA ILE 73 4.899 9.283 1.389 570 HB ILE 73 HB ILE 73 3.627 11.588 2.851 571 HG12 ILE 73 1HG1 ILE 73 3.726 9.743 4.459 572 HG13 ILE 73 2HG1 ILE 73 2.100 10.161 3.998 573 HG21 ILE 73 1HG2 ILE 73 2.805 11.243 0.518 574 HG22 ILE 73 2HG2 ILE 73 2.460 9.553 0.866 575 HG23 ILE 73 3HG2 ILE 73 1.547 10.863 1.666 576 HD11 ILE 73 3HD1 ILE 73 3.672 7.774 2.946 577 HD12 ILE 73 1HD1 ILE 73 2.405 7.766 4.201 578 HD13 ILE 73 2HD1 ILE 73 1.976 8.164 2.543 579 H VAL 74 H VAL 74 4.886 10.333 -0.626 580 HA VAL 74 HA VAL 74 5.432 13.203 -0.723 581 HB VAL 74 HB VAL 74 7.299 12.993 -2.324 582 HG11 VAL 74 1HG1 VAL 74 8.050 11.212 0.009 583 HG12 VAL 74 2HG1 VAL 74 9.109 12.202 -0.990 584 HG13 VAL 74 3HG1 VAL 74 7.939 12.979 0.077 585 HG21 VAL 74 3HG2 VAL 74 6.723 10.902 -3.470 586 HG22 VAL 74 1HG2 VAL 74 8.371 10.815 -2.854 587 HG23 VAL 74 2HG2 VAL 74 7.063 9.969 -1.997 588 H GLU 75 H GLU 75 3.600 10.522 -1.966 589 HA GLU 75 HA GLU 75 2.414 12.545 -3.685 590 HB2 GLU 75 1HB GLU 75 4.106 10.925 -4.999 591 HB3 GLU 75 2HB GLU 75 2.703 9.854 -4.961 592 HG2 GLU 75 1HG GLU 75 1.396 11.309 -6.268 593 HG3 GLU 75 2HG GLU 75 2.432 12.699 -5.904 594 H VAL 76 H VAL 76 0.050 11.921 -4.135 595 HA VAL 76 HA VAL 76 -0.966 9.690 -2.496 596 HB VAL 76 HB VAL 76 -2.638 11.068 -1.430 597 HG11 VAL 76 1HG1 VAL 76 -1.285 12.237 0.208 598 HG12 VAL 76 2HG1 VAL 76 -0.496 10.713 -0.223 599 HG13 VAL 76 3HG1 VAL 76 0.109 12.259 -0.869 600 HG21 VAL 76 3HG2 VAL 76 -2.918 12.853 -3.052 601 HG22 VAL 76 1HG2 VAL 76 -2.525 13.549 -1.481 602 HG23 VAL 76 2HG2 VAL 76 -1.270 13.449 -2.734 603 H ASN 77 H ASN 77 -3.103 8.986 -3.177 604 HA ASN 77 HA ASN 77 -3.551 9.642 -6.022 605 HB2 ASN 77 1HB ASN 77 -3.016 7.295 -5.150 606 HB3 ASN 77 2HB ASN 77 -4.596 7.261 -4.452 607 HD21 ASN 77 1HD2 ASN 77 -4.984 5.458 -5.824 608 HD22 ASN 77 2HD2 ASN 77 -5.255 5.475 -7.507 609 H GLU 78 H GLU 78 -4.742 11.695 -5.434 610 HA GLU 78 HA GLU 78 -6.969 11.787 -3.790 611 HB2 GLU 78 1HB GLU 78 -6.294 13.384 -6.293 612 HB3 GLU 78 2HB GLU 78 -7.577 13.790 -5.160 613 HG2 GLU 78 1HG GLU 78 -5.857 13.954 -3.330 614 HG3 GLU 78 2HG GLU 78 -4.601 13.735 -4.554 615 H LYS 79 H LYS 79 -6.694 10.094 -6.626 616 HA LYS 79 HA LYS 79 -9.290 10.072 -7.861 617 HB2 LYS 79 1HB LYS 79 -7.072 8.001 -7.570 618 HB3 LYS 79 2HB LYS 79 -8.549 7.658 -8.419 619 HG2 LYS 79 1HG LYS 79 -8.059 9.755 -9.836 620 HG3 LYS 79 2HG LYS 79 -6.431 9.706 -9.162 621 HD2 LYS 79 1HD LYS 79 -7.772 7.340 -10.539 622 HD3 LYS 79 2HD LYS 79 -6.872 8.552 -11.443 623 HE2 LYS 79 1HE LYS 79 -5.704 6.725 -9.295 624 HE3 LYS 79 2HE LYS 79 -5.591 6.493 -11.033 625 HZ1 LYS 79 3HZ LYS 79 -3.629 7.434 -10.566 626 HZ2 LYS 79 1HZ LYS 79 -4.453 8.793 -10.991 627 HZ3 LYS 79 2HZ LYS 79 -4.237 8.425 -9.384 628 H LEU 80 H LEU 80 -7.937 8.399 -5.010 629 HA LEU 80 HA LEU 80 -10.113 6.538 -4.828 630 HB2 LEU 80 1HB LEU 80 -7.900 7.300 -2.900 631 HB3 LEU 80 2HB LEU 80 -9.080 6.055 -2.555 632 HG LEU 80 HG LEU 80 -6.610 5.699 -3.807 633 HD11 LEU 80 1HD1 LEU 80 -7.790 4.106 -2.418 634 HD12 LEU 80 2HD1 LEU 80 -8.995 3.828 -3.715 635 HD13 LEU 80 3HD1 LEU 80 -7.280 3.369 -3.936 636 HD21 LEU 80 3HD2 LEU 80 -7.144 4.548 -5.942 637 HD22 LEU 80 1HD2 LEU 80 -8.827 5.064 -5.846 638 HD23 LEU 80 2HD2 LEU 80 -7.533 6.255 -6.080 639 H ASP 81 H ASP 81 -10.245 9.833 -4.104 640 HA ASP 81 HA ASP 81 -12.338 9.610 -2.038 641 HB2 ASP 81 1HB ASP 81 -11.186 11.758 -2.427 642 HB3 ASP 81 2HB ASP 81 -11.724 11.777 -4.108 643 H THR 82 H THR 82 -12.101 9.858 -5.638 644 HA THR 82 HA THR 82 -15.006 9.936 -5.784 645 HB THR 82 HB THR 82 -14.703 10.763 -7.953 646 HG1 THR 82 1HG THR 82 -13.041 9.643 -8.804 647 HG21 THR 82 3HG2 THR 82 -14.230 12.333 -6.048 648 HG22 THR 82 1HG2 THR 82 -12.497 12.035 -6.286 649 HG23 THR 82 2HG2 THR 82 -13.441 12.798 -7.565 650 H GLU 83 H GLU 83 -12.326 7.834 -6.853 651 HA GLU 83 HA GLU 83 -14.288 5.663 -7.443 652 HB2 GLU 83 1HB GLU 83 -11.526 5.946 -8.486 653 HB3 GLU 83 2HB GLU 83 -12.732 4.754 -8.973 654 HG2 GLU 83 1HG GLU 83 -14.051 6.563 -10.044 655 HG3 GLU 83 2HG GLU 83 -12.722 7.683 -9.696 656 HA PRO 84 HA PRO 84 -11.594 4.734 -3.637 657 HB2 PRO 84 1HB PRO 84 -13.635 3.966 -1.945 658 HB3 PRO 84 2HB PRO 84 -13.155 5.661 -2.173 659 HG2 PRO 84 1HG PRO 84 -15.412 4.192 -3.534 660 HG3 PRO 84 2HG PRO 84 -15.457 5.804 -2.740 661 HD2 PRO 84 1HD PRO 84 -15.079 5.601 -5.497 662 HD3 PRO 84 2HD PRO 84 -14.218 6.805 -4.487 663 H GLU 85 H GLU 85 -14.443 2.954 -5.005 664 HA GLU 85 HA GLU 85 -13.831 0.379 -3.880 665 HB2 GLU 85 1HB GLU 85 -16.025 1.120 -4.672 666 HB3 GLU 85 2HB GLU 85 -15.450 1.181 -6.324 667 HG2 GLU 85 1HG GLU 85 -15.048 -1.415 -5.975 668 HG3 GLU 85 2HG GLU 85 -16.130 -1.196 -4.620 669 H LEU 86 H LEU 86 -11.993 2.171 -6.221 670 HA LEU 86 HA LEU 86 -11.223 0.111 -8.014 671 HB2 LEU 86 1HB LEU 86 -9.783 2.574 -6.997 672 HB3 LEU 86 2HB LEU 86 -9.079 1.490 -8.187 673 HG LEU 86 HG LEU 86 -11.672 3.021 -8.513 674 HD11 LEU 86 1HD1 LEU 86 -10.383 4.210 -10.269 675 HD12 LEU 86 2HD1 LEU 86 -9.574 4.355 -8.692 676 HD13 LEU 86 3HD1 LEU 86 -8.978 3.180 -9.899 677 HD21 LEU 86 3HD2 LEU 86 -11.962 1.016 -9.769 678 HD22 LEU 86 1HD2 LEU 86 -11.497 2.261 -10.918 679 HD23 LEU 86 2HD2 LEU 86 -10.261 1.093 -10.384 680 H ILE 87 H ILE 87 -10.589 0.344 -4.644 681 HA ILE 87 HA ILE 87 -8.267 -1.220 -4.436 682 HB ILE 87 HB ILE 87 -10.663 -1.716 -2.751 683 HG12 ILE 87 1HG1 ILE 87 -10.569 0.571 -2.446 684 HG13 ILE 87 2HG1 ILE 87 -9.536 -0.087 -1.200 685 HG21 ILE 87 1HG2 ILE 87 -8.424 -3.091 -2.694 686 HG22 ILE 87 2HG2 ILE 87 -7.709 -1.623 -2.077 687 HG23 ILE 87 3HG2 ILE 87 -9.054 -2.417 -1.183 688 HD11 ILE 87 3HD1 ILE 87 -8.598 1.946 -2.013 689 HD12 ILE 87 1HD1 ILE 87 -7.512 0.603 -2.436 690 HD13 ILE 87 2HD1 ILE 87 -8.559 1.339 -3.669 691 H ASN 88 H ASN 88 -11.644 -2.041 -5.344 692 HA ASN 88 HA ASN 88 -11.320 -4.925 -5.468 693 HB2 ASN 88 1HB ASN 88 -13.473 -3.073 -6.605 694 HB3 ASN 88 2HB ASN 88 -13.475 -4.813 -6.665 695 HD21 ASN 88 1HD2 ASN 88 -13.188 -2.243 -4.184 696 HD22 ASN 88 2HD2 ASN 88 -14.124 -3.108 -2.952 697 H LYS 89 H LYS 89 -11.708 -2.268 -7.758 698 HA LYS 89 HA LYS 89 -11.710 -3.862 -10.036 699 HB2 LYS 89 1HB LYS 89 -12.104 -1.128 -9.428 700 HB3 LYS 89 2HB LYS 89 -10.739 -1.092 -10.485 701 HG2 LYS 89 1HG LYS 89 -13.058 -2.807 -11.354 702 HG3 LYS 89 2HG LYS 89 -13.338 -1.081 -11.295 703 HD2 LYS 89 1HD LYS 89 -11.118 -2.406 -12.884 704 HD3 LYS 89 2HD LYS 89 -12.653 -1.810 -13.522 705 HE2 LYS 89 1HE LYS 89 -11.994 0.454 -12.387 706 HE3 LYS 89 2HE LYS 89 -10.347 -0.221 -12.327 707 HZ1 LYS 89 3HZ LYS 89 -10.508 -0.512 -14.726 708 HZ2 LYS 89 1HZ LYS 89 -11.988 0.224 -14.727 709 HZ3 LYS 89 2HZ LYS 89 -10.654 1.084 -14.251 710 H ASP 90 H ASP 90 -8.925 -2.030 -8.660 711 HA ASP 90 HA ASP 90 -7.142 -3.800 -10.070 712 HB2 ASP 90 1HB ASP 90 -7.756 -1.750 -11.664 713 HB3 ASP 90 2HB ASP 90 -6.565 -0.905 -10.752 714 HA PRO 91 HA PRO 91 -6.353 -2.190 -5.807 715 HB2 PRO 91 1HB PRO 91 -4.990 -4.683 -5.136 716 HB3 PRO 91 2HB PRO 91 -6.552 -4.092 -4.544 717 HG2 PRO 91 1HG PRO 91 -5.925 -6.107 -6.593 718 HG3 PRO 91 2HG PRO 91 -7.500 -5.788 -5.817 719 HD2 PRO 91 1HD PRO 91 -6.819 -5.183 -8.453 720 HD3 PRO 91 2HD PRO 91 -8.170 -4.459 -7.536 721 H GLU 92 H GLU 92 -4.217 -3.634 -8.166 722 HA GLU 92 HA GLU 92 -1.898 -2.317 -6.907 723 HB2 GLU 92 1HB GLU 92 -1.425 -4.620 -8.699 724 HB3 GLU 92 2HB GLU 92 -0.545 -4.031 -7.305 725 HG2 GLU 92 1HG GLU 92 -1.352 -5.904 -6.341 726 HG3 GLU 92 2HG GLU 92 -2.725 -4.906 -5.971 727 H GLY 93 H GLY 93 -3.940 -1.549 -9.106 728 HA2 GLY 93 1HA GLY 93 -1.961 -0.506 -11.083 729 HA3 GLY 93 2HA GLY 93 -3.636 -0.947 -11.479 730 H GLU 94 H GLU 94 -5.120 0.730 -11.394 731 HA GLU 94 HA GLU 94 -4.414 3.382 -10.602 732 HB2 GLU 94 1HB GLU 94 -7.022 1.999 -11.275 733 HB3 GLU 94 2HB GLU 94 -7.020 3.665 -10.724 734 HG2 GLU 94 1HG GLU 94 -5.404 2.786 -13.141 735 HG3 GLU 94 2HG GLU 94 -7.092 3.274 -13.239 736 H GLY 95 H GLY 95 -5.857 0.655 -8.728 737 HA2 GLY 95 1HA GLY 95 -6.979 2.232 -6.599 738 HA3 GLY 95 2HA GLY 95 -6.685 0.548 -6.642 739 H TRP 96 H TRP 96 -3.981 2.819 -7.043 740 HA TRP 96 HA TRP 96 -2.699 1.790 -4.611 741 HB2 TRP 96 1HB TRP 96 -0.864 3.263 -5.136 742 HB3 TRP 96 2HB TRP 96 -1.345 2.330 -6.546 743 HD1 TRP 96 HD TRP 96 -2.574 3.614 -8.540 744 HE1 TRP 96 1HE TRP 96 -2.207 5.926 -9.472 745 HE3 TRP 96 3HE TRP 96 -0.454 5.781 -4.416 746 HZ2 TRP 96 2HZ TRP 96 -1.479 8.534 -8.420 747 HZ3 TRP 96 3HZ TRP 96 -0.064 8.281 -4.394 748 HH2 TRP 96 HH TRP 96 -0.495 9.608 -6.428 749 H LEU 97 H LEU 97 -1.938 3.369 -2.921 750 HA LEU 97 HA LEU 97 -4.249 5.142 -2.183 751 HB2 LEU 97 1HB LEU 97 -2.150 3.992 -0.337 752 HB3 LEU 97 2HB LEU 97 -3.636 4.831 0.100 753 HG LEU 97 HG LEU 97 -3.996 2.297 -1.470 754 HD11 LEU 97 1HD1 LEU 97 -3.026 2.266 1.420 755 HD12 LEU 97 2HD1 LEU 97 -3.502 0.854 0.445 756 HD13 LEU 97 3HD1 LEU 97 -2.041 1.774 0.044 757 HD21 LEU 97 3HD2 LEU 97 -5.264 3.073 1.209 758 HD22 LEU 97 1HD2 LEU 97 -5.911 3.521 -0.394 759 HD23 LEU 97 2HD2 LEU 97 -5.771 1.826 0.084 760 H PHE 98 H PHE 98 -0.690 4.916 -1.546 761 HA PHE 98 HA PHE 98 -0.359 7.742 -2.257 762 HB2 PHE 98 1HB PHE 98 0.829 8.213 -0.142 763 HB3 PHE 98 2HB PHE 98 -0.869 7.853 0.111 764 HD1 PHE 98 1HD PHE 98 2.538 6.202 0.183 765 HD2 PHE 98 2HD PHE 98 -1.483 6.240 1.692 766 HE1 PHE 98 1HE PHE 98 3.069 4.315 1.666 767 HE2 PHE 98 2HE PHE 98 -0.840 4.420 3.339 768 HZ PHE 98 HZ PHE 98 1.381 3.407 3.232 769 H LYS 99 H LYS 99 2.103 8.243 -1.972 770 HA LYS 99 HA LYS 99 3.768 5.873 -2.551 771 HB2 LYS 99 1HB LYS 99 4.156 8.508 -3.996 772 HB3 LYS 99 2HB LYS 99 4.938 6.974 -4.287 773 HG2 LYS 99 1HG LYS 99 2.687 6.025 -4.989 774 HG3 LYS 99 2HG LYS 99 2.067 7.666 -4.871 775 HD2 LYS 99 1HD LYS 99 3.664 8.449 -6.499 776 HD3 LYS 99 2HD LYS 99 4.363 6.837 -6.681 777 HE2 LYS 99 1HE LYS 99 2.337 5.955 -7.627 778 HE3 LYS 99 2HE LYS 99 1.393 7.369 -7.119 779 HZ1 LYS 99 3HZ LYS 99 1.879 7.476 -9.449 780 HZ2 LYS 99 1HZ LYS 99 2.607 8.712 -8.655 781 HZ3 LYS 99 2HZ LYS 99 3.509 7.417 -9.165 782 H MET 100 H MET 100 5.984 6.184 -1.865 783 HA MET 100 HA MET 100 6.470 8.501 -0.102 784 HB2 MET 100 1HB MET 100 7.331 6.558 1.507 785 HB3 MET 100 2HB MET 100 5.708 7.226 1.623 786 HG2 MET 100 1HG MET 100 4.728 5.399 0.442 787 HG3 MET 100 2HG MET 100 6.251 4.689 0.017 788 HE1 MET 100 3HE MET 100 7.751 4.922 3.159 789 HE2 MET 100 1HE MET 100 6.450 6.051 3.645 790 HE3 MET 100 2HE MET 100 6.620 4.490 4.455 791 H GLU 101 H GLU 101 8.546 9.047 0.065 792 HA GLU 101 HA GLU 101 10.639 7.962 -1.631 793 HB2 GLU 101 1HB GLU 101 10.673 10.306 -0.945 794 HB3 GLU 101 2HB GLU 101 10.625 9.861 0.772 795 HG2 GLU 101 1HG GLU 101 12.849 8.795 0.566 796 HG3 GLU 101 2HG GLU 101 12.884 9.152 -1.159 797 H ILE 102 H ILE 102 11.914 6.246 -1.202 798 HA ILE 102 HA ILE 102 11.541 4.805 1.304 799 HB ILE 102 HB ILE 102 13.095 3.199 0.352 800 HG12 ILE 102 1HG1 ILE 102 12.953 4.752 -2.243 801 HG13 ILE 102 2HG1 ILE 102 14.391 4.636 -1.241 802 HG21 ILE 102 1HG2 ILE 102 11.436 2.232 -1.084 803 HG22 ILE 102 2HG2 ILE 102 10.569 3.180 0.112 804 HG23 ILE 102 3HG2 ILE 102 10.787 3.825 -1.534 805 HD11 ILE 102 3HD1 ILE 102 14.335 2.145 -1.521 806 HD12 ILE 102 1HD1 ILE 102 13.029 2.386 -2.702 807 HD13 ILE 102 2HD1 ILE 102 14.634 3.067 -3.010 808 H SER 103 H SER 103 12.486 5.634 3.033 809 HA SER 103 HA SER 103 14.930 7.194 2.965 810 HB2 SER 103 1HB SER 103 13.379 5.753 5.151 811 HB3 SER 103 2HB SER 103 14.828 6.708 5.453 812 HG SER 103 HG SER 103 12.946 7.979 5.716 813 H ASP 104 H ASP 104 14.167 3.791 2.841 814 HA ASP 104 HA ASP 104 16.943 2.959 3.550 815 HB2 ASP 104 1HB ASP 104 14.300 2.157 4.878 816 HB3 ASP 104 2HB ASP 104 15.855 1.379 5.138 817 H GLU 105 H GLU 105 17.173 2.230 1.275 818 HA GLU 105 HA GLU 105 15.229 0.326 0.240 819 HB2 GLU 105 1HB GLU 105 16.141 0.664 -1.757 820 HB3 GLU 105 2HB GLU 105 16.988 1.998 -1.003 821 HG2 GLU 105 1HG GLU 105 18.910 0.352 -0.543 822 HG3 GLU 105 2HG GLU 105 18.050 -0.815 -1.540 823 H GLY 106 H GLY 106 17.734 0.097 2.432 824 HA2 GLY 106 1HA GLY 106 18.738 -2.582 1.871 825 HA3 GLY 106 2HA GLY 106 18.878 -1.733 3.423 826 H GLU 107 H GLU 107 16.131 -1.199 3.782 827 HA GLU 107 HA GLU 107 15.329 -3.550 5.139 828 HB2 GLU 107 1HB GLU 107 13.871 -0.991 4.359 829 HB3 GLU 107 2HB GLU 107 13.175 -2.221 5.424 830 HG2 GLU 107 1HG GLU 107 15.815 -0.823 6.009 831 HG3 GLU 107 2HG GLU 107 14.258 -0.259 6.596 832 H LEU 108 H LEU 108 14.728 -2.565 1.802 833 HA LEU 108 HA LEU 108 12.350 -3.830 1.191 834 HB2 LEU 108 1HB LEU 108 14.813 -3.850 -0.518 835 HB3 LEU 108 2HB LEU 108 13.167 -4.148 -1.043 836 HG LEU 108 HG LEU 108 14.479 -1.565 -0.347 837 HD11 LEU 108 1HD1 LEU 108 13.762 -0.858 -2.462 838 HD12 LEU 108 2HD1 LEU 108 14.422 -2.471 -2.652 839 HD13 LEU 108 3HD1 LEU 108 12.636 -2.249 -2.631 840 HD21 LEU 108 3HD2 LEU 108 11.501 -1.951 -0.281 841 HD22 LEU 108 1HD2 LEU 108 12.616 -1.285 0.955 842 HD23 LEU 108 2HD2 LEU 108 12.327 -0.379 -0.495 843 H GLU 109 H GLU 109 15.497 -5.359 1.859 844 HA GLU 109 HA GLU 109 14.726 -7.909 0.658 845 HB2 GLU 109 1HB GLU 109 17.070 -7.163 2.461 846 HB3 GLU 109 2HB GLU 109 16.899 -8.662 1.549 847 HG2 GLU 109 1HG GLU 109 17.109 -5.848 0.362 848 HG3 GLU 109 2HG GLU 109 18.398 -7.047 0.433 849 H ASP 110 H ASP 110 13.985 -6.406 3.657 850 HA ASP 110 HA ASP 110 13.631 -8.907 5.136 851 HB2 ASP 110 1HB ASP 110 13.996 -6.727 6.295 852 HB3 ASP 110 2HB ASP 110 12.419 -6.173 5.681 853 H LEU 111 H LEU 111 11.801 -6.806 2.921 854 HA LEU 111 HA LEU 111 9.188 -7.778 3.636 855 HB2 LEU 111 1HB LEU 111 10.234 -6.512 1.131 856 HB3 LEU 111 2HB LEU 111 8.528 -6.736 1.462 857 HG LEU 111 HG LEU 111 9.493 -4.426 1.517 858 HD11 LEU 111 1HD1 LEU 111 7.929 -5.420 3.923 859 HD12 LEU 111 2HD1 LEU 111 8.219 -3.696 3.582 860 HD13 LEU 111 3HD1 LEU 111 7.318 -4.666 2.415 861 HD21 LEU 111 3HD2 LEU 111 11.396 -5.018 2.530 862 HD22 LEU 111 1HD2 LEU 111 10.623 -3.661 3.394 863 HD23 LEU 111 2HD2 LEU 111 10.624 -5.266 4.133 864 H LEU 112 H LEU 112 7.830 -8.932 2.189 865 HA LEU 112 HA LEU 112 9.095 -11.344 1.292 866 HB2 LEU 112 1HB LEU 112 6.236 -10.723 0.589 867 HB3 LEU 112 2HB LEU 112 7.003 -12.217 1.062 868 HG LEU 112 HG LEU 112 5.664 -11.851 2.849 869 HD11 LEU 112 1HD1 LEU 112 6.908 -11.413 4.772 870 HD12 LEU 112 2HD1 LEU 112 8.142 -11.881 3.595 871 HD13 LEU 112 3HD1 LEU 112 7.903 -10.179 4.022 872 HD21 LEU 112 3HD2 LEU 112 4.958 -9.932 3.863 873 HD22 LEU 112 1HD2 LEU 112 6.131 -8.951 2.944 874 HD23 LEU 112 2HD2 LEU 112 4.763 -9.757 2.111 875 H ASP 113 H ASP 113 9.767 -11.796 -0.754 876 HA ASP 113 HA ASP 113 9.383 -9.932 -2.996 877 HB2 ASP 113 1HB ASP 113 10.010 -12.820 -3.549 878 HB3 ASP 113 2HB ASP 113 10.627 -11.366 -4.309 879 H GLU 114 H GLU 114 8.573 -11.810 -5.011 880 HA GLU 114 HA GLU 114 5.723 -11.614 -4.672 881 HB2 GLU 114 1HB GLU 114 7.065 -11.140 -6.697 882 HB3 GLU 114 2HB GLU 114 7.445 -12.872 -6.820 883 HG2 GLU 114 1HG GLU 114 5.151 -13.407 -7.352 884 HG3 GLU 114 2HG GLU 114 4.613 -11.762 -6.935 885 H GLN 115 H GLN 115 8.035 -14.399 -4.712 886 HA GLN 115 HA GLN 115 5.897 -16.384 -4.626 887 HB2 GLN 115 1HB GLN 115 7.812 -17.155 -5.676 888 HB3 GLN 115 2HB GLN 115 8.903 -16.341 -4.587 889 HG2 GLN 115 1HG GLN 115 8.464 -17.921 -2.843 890 HG3 GLN 115 2HG GLN 115 7.239 -18.740 -3.829 891 HE21 GLN 115 1HE2 GLN 115 8.722 -20.755 -3.371 892 HE22 GLN 115 2HE2 GLN 115 10.131 -20.912 -4.376 893 H ALA 116 H ALA 116 8.296 -14.913 -2.401 894 HA ALA 116 HA ALA 116 7.462 -16.298 -0.066 895 HB1 ALA 116 1HB ALA 116 8.582 -14.476 1.183 896 HB2 ALA 116 2HB ALA 116 9.565 -15.060 -0.175 897 HB3 ALA 116 3HB ALA 116 8.682 -13.522 -0.309 898 H TYR 117 H TYR 117 6.276 -13.183 -1.430 899 HA TYR 117 HA TYR 117 4.362 -12.505 0.488 900 HB2 TYR 117 1HB TYR 117 4.715 -11.006 -1.301 901 HB3 TYR 117 2HB TYR 117 4.533 -12.241 -2.520 902 HD1 TYR 117 1HD TYR 117 2.400 -10.744 0.196 903 HD2 TYR 117 2HD TYR 117 2.689 -12.126 -3.866 904 HE1 TYR 117 1HE TYR 117 0.006 -10.247 -0.089 905 HE2 TYR 117 2HE TYR 117 0.325 -11.597 -4.221 906 HH TYR 117 HH TYR 117 -1.654 -10.869 -3.276 907 H GLN 118 H GLN 118 3.916 -14.674 -2.350 908 HA GLN 118 HA GLN 118 1.224 -15.367 -1.804 909 HB2 GLN 118 1HB GLN 118 1.570 -16.130 -3.836 910 HB3 GLN 118 2HB GLN 118 3.333 -16.038 -3.655 911 HG2 GLN 118 1HG GLN 118 3.521 -18.252 -2.822 912 HG3 GLN 118 2HG GLN 118 1.779 -18.457 -2.754 913 HE21 GLN 118 1HE2 GLN 118 1.485 -16.993 -5.508 914 HE22 GLN 118 2HE2 GLN 118 1.997 -18.232 -6.637 915 H GLU 119 H GLU 119 4.232 -16.891 -0.794 916 HA GLU 119 HA GLU 119 3.074 -19.001 0.653 917 HB2 GLU 119 1HB GLU 119 5.511 -18.467 -0.232 918 HB3 GLU 119 2HB GLU 119 5.761 -17.773 1.334 919 HG2 GLU 119 1HG GLU 119 4.801 -20.604 0.813 920 HG3 GLU 119 2HG GLU 119 6.517 -20.164 0.946 921 H PHE 120 H PHE 120 3.714 -15.643 1.732 922 HA PHE 120 HA PHE 120 2.753 -16.283 4.423 923 HB2 PHE 120 1HB PHE 120 4.228 -14.322 4.035 924 HB3 PHE 120 2HB PHE 120 2.940 -13.570 3.090 925 HD1 PHE 120 1HD PHE 120 3.690 -15.049 6.472 926 HD2 PHE 120 2HD PHE 120 1.179 -12.343 4.245 927 HE1 PHE 120 1HE PHE 120 2.487 -14.437 8.542 928 HE2 PHE 120 2HE PHE 120 0.006 -11.721 6.296 929 HZ PHE 120 HZ PHE 120 0.681 -12.698 8.456 930 H CYS 121 H CYS 121 1.361 -15.066 1.374 931 HA CYS 121 HA CYS 121 -1.189 -14.388 2.369 932 HB2 CYS 121 1HB CYS 121 0.087 -13.749 0.175 933 HB3 CYS 121 2HB CYS 121 -0.666 -15.220 -0.494 934 HG CYS 121 HG CYS 121 -3.096 -14.501 0.361 935 H ALA 122 H ALA 122 -0.045 -17.432 2.404 936 HA ALA 122 HA ALA 122 -2.704 -18.744 2.055 937 HB1 ALA 122 1HB ALA 122 -1.431 -20.798 2.733 938 HB2 ALA 122 2HB ALA 122 -0.807 -20.047 1.264 939 HB3 ALA 122 3HB ALA 122 0.060 -19.829 2.791 940 H GLN 123 H GLN 123 -0.285 -17.792 4.481 941 HA GLN 123 HA GLN 123 -1.937 -18.754 6.727 942 HB2 GLN 123 1HB GLN 123 0.138 -18.396 8.038 943 HB3 GLN 123 2HB GLN 123 0.266 -19.588 6.741 944 HG2 GLN 123 1HG GLN 123 1.412 -17.890 5.321 945 HG3 GLN 123 2HG GLN 123 1.323 -16.730 6.655 946 HE21 GLN 123 1HE2 GLN 123 2.686 -19.919 5.622 947 HE22 GLN 123 2HE2 GLN 123 3.958 -19.959 6.803 948 H GLU 124 H GLU 124 -1.752 -15.908 5.065 949 HA GLU 124 HA GLU 124 -1.773 -13.928 7.088 950 HB2 GLU 124 1HB GLU 124 -1.577 -13.478 4.650 951 HB3 GLU 124 2HB GLU 124 -3.228 -14.026 4.408 952 HG2 GLU 124 1HG GLU 124 -3.922 -12.177 6.092 953 HG3 GLU 124 2HG GLU 124 -2.283 -11.556 5.900 Start of MODEL 6 1 H1 MET 1 H MET 1 17.269 -0.508 -6.358 2 HA MET 1 HA MET 1 15.212 1.531 -6.992 3 HB2 MET 1 1HB MET 1 17.641 0.698 -8.617 4 HB3 MET 1 2HB MET 1 16.472 1.932 -9.065 5 HG2 MET 1 1HG MET 1 17.219 3.408 -7.298 6 HG3 MET 1 2HG MET 1 18.223 2.143 -6.588 7 HE1 MET 1 3HE MET 1 17.918 4.955 -9.161 8 HE2 MET 1 1HE MET 1 19.169 4.587 -10.366 9 HE3 MET 1 2HE MET 1 17.706 3.588 -10.280 10 H LYS 2 H LYS 2 13.750 1.026 -8.718 11 HA LYS 2 HA LYS 2 12.384 -0.292 -9.885 12 HB2 LYS 2 1HB LYS 2 14.659 0.294 -11.167 13 HB3 LYS 2 2HB LYS 2 14.796 -1.460 -11.252 14 HG2 LYS 2 1HG LYS 2 12.457 -1.491 -12.205 15 HG3 LYS 2 2HG LYS 2 12.478 0.280 -12.188 16 HD2 LYS 2 1HD LYS 2 14.580 0.115 -13.647 17 HD3 LYS 2 2HD LYS 2 14.233 -1.614 -13.799 18 HE2 LYS 2 1HE LYS 2 13.222 -0.666 -15.728 19 HE3 LYS 2 2HE LYS 2 11.879 -0.922 -14.590 20 HZ1 LYS 2 3HZ LYS 2 12.467 1.525 -13.944 21 HZ2 LYS 2 1HZ LYS 2 13.141 1.614 -15.389 22 HZ3 LYS 2 2HZ LYS 2 11.543 1.221 -15.304 23 H MET 3 H MET 3 11.590 -1.550 -8.088 24 HA MET 3 HA MET 3 12.086 -4.436 -8.262 25 HB2 MET 3 1HB MET 3 13.745 -3.614 -6.593 26 HB3 MET 3 2HB MET 3 12.469 -2.728 -5.753 27 HG2 MET 3 1HG MET 3 11.344 -4.869 -5.253 28 HG3 MET 3 2HG MET 3 12.734 -5.727 -5.939 29 HE1 MET 3 3HE MET 3 15.510 -4.723 -3.274 30 HE2 MET 3 1HE MET 3 15.212 -5.391 -4.898 31 HE3 MET 3 2HE MET 3 15.098 -3.634 -4.609 32 H LYS 4 H LYS 4 10.092 -5.577 -7.166 33 HA LYS 4 HA LYS 4 8.427 -3.675 -5.802 34 HB2 LYS 4 1HB LYS 4 6.320 -4.399 -6.641 35 HB3 LYS 4 2HB LYS 4 7.263 -3.643 -7.886 36 HG2 LYS 4 1HG LYS 4 7.650 -6.551 -7.991 37 HG3 LYS 4 2HG LYS 4 5.931 -6.162 -7.944 38 HD2 LYS 4 1HD LYS 4 6.719 -6.301 -10.249 39 HD3 LYS 4 2HD LYS 4 6.241 -4.630 -9.883 40 HE2 LYS 4 1HE LYS 4 8.593 -4.022 -9.494 41 HE3 LYS 4 2HE LYS 4 9.093 -5.713 -9.718 42 HZ1 LYS 4 3HZ LYS 4 8.507 -5.580 -11.980 43 HZ2 LYS 4 1HZ LYS 4 7.789 -4.103 -11.809 44 HZ3 LYS 4 2HZ LYS 4 9.428 -4.265 -11.625 45 H LYS 5 H LYS 5 8.338 -4.373 -3.777 46 HA LYS 5 HA LYS 5 8.037 -7.336 -3.391 47 HB2 LYS 5 1HB LYS 5 9.556 -5.270 -1.812 48 HB3 LYS 5 2HB LYS 5 9.032 -6.796 -1.083 49 HG2 LYS 5 1HG LYS 5 10.161 -8.101 -2.858 50 HG3 LYS 5 2HG LYS 5 10.780 -6.585 -3.554 51 HD2 LYS 5 1HD LYS 5 11.867 -6.044 -1.429 52 HD3 LYS 5 2HD LYS 5 11.264 -7.554 -0.708 53 HE2 LYS 5 1HE LYS 5 12.605 -8.907 -2.162 54 HE3 LYS 5 2HE LYS 5 13.075 -7.501 -3.146 55 HZ1 LYS 5 3HZ LYS 5 14.254 -6.618 -1.267 56 HZ2 LYS 5 1HZ LYS 5 13.668 -7.797 -0.282 57 HZ3 LYS 5 2HZ LYS 5 14.756 -8.186 -1.407 58 H TYR 6 H TYR 6 7.141 -7.730 -1.091 59 HA TYR 6 HA TYR 6 4.486 -6.382 -0.867 60 HB2 TYR 6 1HB TYR 6 5.314 -9.310 -0.824 61 HB3 TYR 6 2HB TYR 6 3.708 -8.750 -0.383 62 HD1 TYR 6 2HD TYR 6 6.117 -9.096 -3.189 63 HD2 TYR 6 1HD TYR 6 2.093 -8.082 -2.030 64 HE1 TYR 6 2HE TYR 6 5.459 -9.039 -5.565 65 HE2 TYR 6 1HE TYR 6 1.385 -8.146 -4.394 66 HH TYR 6 HH TYR 6 2.133 -8.150 -6.586 67 H THR 7 H THR 7 3.350 -7.080 1.289 68 HA THR 7 HA THR 7 5.274 -7.069 3.548 69 HB THR 7 HB THR 7 3.444 -5.809 4.684 70 HG1 THR 7 1HG THR 7 2.280 -5.618 2.118 71 HG21 THR 7 3HG2 THR 7 3.627 -3.667 3.572 72 HG22 THR 7 1HG2 THR 7 5.206 -4.470 3.574 73 HG23 THR 7 2HG2 THR 7 4.241 -4.422 2.080 74 H LYS 8 H LYS 8 3.814 -7.653 5.507 75 HA LYS 8 HA LYS 8 2.014 -9.969 4.902 76 HB2 LYS 8 1HB LYS 8 3.592 -9.490 7.459 77 HB3 LYS 8 2HB LYS 8 2.382 -10.736 7.216 78 HG2 LYS 8 1HG LYS 8 3.682 -11.460 5.145 79 HG3 LYS 8 2HG LYS 8 5.004 -10.453 5.721 80 HD2 LYS 8 1HD LYS 8 3.829 -12.559 7.554 81 HD3 LYS 8 2HD LYS 8 4.882 -13.045 6.208 82 HE2 LYS 8 1HE LYS 8 6.527 -11.286 7.111 83 HE3 LYS 8 2HE LYS 8 5.523 -11.263 8.581 84 HZ1 LYS 8 3HZ LYS 8 7.207 -12.827 8.951 85 HZ2 LYS 8 1HZ LYS 8 5.912 -13.768 8.590 86 HZ3 LYS 8 2HZ LYS 8 7.102 -13.505 7.472 87 H THR 9 H THR 9 1.633 -6.742 5.250 88 HA THR 9 HA THR 9 -0.797 -7.027 6.912 89 HB THR 9 HB THR 9 -0.697 -4.553 7.021 90 HG1 THR 9 1HG THR 9 0.616 -3.669 5.601 91 HG21 THR 9 3HG2 THR 9 1.796 -6.008 8.015 92 HG22 THR 9 1HG2 THR 9 1.184 -4.460 8.610 93 HG23 THR 9 2HG2 THR 9 0.223 -5.926 8.831 94 H HIS 10 H HIS 10 -0.256 -7.837 3.978 95 HA HIS 10 HA HIS 10 -1.459 -8.091 2.156 96 HB2 HIS 10 1HB HIS 10 -3.767 -6.474 3.218 97 HB3 HIS 10 2HB HIS 10 -3.775 -7.877 2.149 98 HD1 HIS 10 1HD HIS 10 -3.379 -10.364 3.429 99 HD2 HIS 10 2HD HIS 10 -4.081 -6.906 5.766 100 HE1 HIS 10 1HE HIS 10 -4.252 -11.175 5.696 101 HE2 HIS 10 2HE HIS 10 -4.538 -9.126 7.177 102 H GLU 11 H GLU 11 0.445 -6.153 2.035 103 HA GLU 11 HA GLU 11 -0.691 -4.113 0.194 104 HB2 GLU 11 1HB GLU 11 1.341 -3.590 2.384 105 HB3 GLU 11 2HB GLU 11 0.976 -2.472 1.092 106 HG2 GLU 11 1HG GLU 11 -1.186 -2.017 1.885 107 HG3 GLU 11 2HG GLU 11 -1.252 -3.466 2.871 108 H TRP 12 H TRP 12 0.511 -3.660 -1.588 109 HA TRP 12 HA TRP 12 3.039 -5.174 -2.046 110 HB2 TRP 12 1HB TRP 12 2.566 -4.893 -4.438 111 HB3 TRP 12 2HB TRP 12 1.291 -5.797 -3.627 112 HD1 TRP 12 HD TRP 12 -1.109 -4.752 -3.513 113 HE1 TRP 12 1HE TRP 12 -2.250 -2.726 -4.586 114 HE3 TRP 12 3HE TRP 12 3.002 -2.416 -5.553 115 HZ2 TRP 12 2HZ TRP 12 -1.484 -0.289 -5.864 116 HZ3 TRP 12 3HZ TRP 12 2.703 -0.257 -6.729 117 HH2 TRP 12 HH TRP 12 0.498 0.833 -6.849 118 H VAL 13 H VAL 13 4.637 -3.949 -3.356 119 HA VAL 13 HA VAL 13 4.632 -1.031 -2.852 120 HB VAL 13 HB VAL 13 6.991 -2.793 -2.069 121 HG11 VAL 13 1HG1 VAL 13 5.972 -0.061 -1.247 122 HG12 VAL 13 2HG1 VAL 13 7.291 -0.927 -0.433 123 HG13 VAL 13 3HG1 VAL 13 7.468 -0.499 -2.125 124 HG21 VAL 13 3HG2 VAL 13 6.254 -2.871 0.264 125 HG22 VAL 13 1HG2 VAL 13 4.672 -2.185 -0.193 126 HG23 VAL 13 2HG2 VAL 13 5.170 -3.799 -0.736 127 H SER 14 H SER 14 4.844 -0.384 -5.026 128 HA SER 14 HA SER 14 6.791 -1.741 -6.845 129 HB2 SER 14 1HB SER 14 4.626 0.318 -7.115 130 HB3 SER 14 2HB SER 14 6.002 0.495 -8.138 131 HG SER 14 HG SER 14 4.418 -1.914 -8.016 132 H ILE 15 H ILE 15 8.846 -1.180 -5.921 133 HA ILE 15 HA ILE 15 9.513 1.625 -5.431 134 HB ILE 15 HB ILE 15 11.241 -0.855 -5.566 135 HG12 ILE 15 1HG1 ILE 15 11.341 0.005 -2.979 136 HG13 ILE 15 2HG1 ILE 15 9.742 0.516 -3.373 137 HG21 ILE 15 1HG2 ILE 15 12.989 0.566 -4.531 138 HG22 ILE 15 2HG2 ILE 15 12.558 1.151 -6.137 139 HG23 ILE 15 3HG2 ILE 15 11.928 1.990 -4.709 140 HD11 ILE 15 3HD1 ILE 15 9.007 -1.696 -3.885 141 HD12 ILE 15 1HD1 ILE 15 10.649 -2.351 -3.813 142 HD13 ILE 15 2HD1 ILE 15 9.847 -1.749 -2.338 143 H GLU 16 H GLU 16 9.885 2.982 -7.062 144 HA GLU 16 HA GLU 16 10.684 1.904 -9.730 145 HB2 GLU 16 1HB GLU 16 10.011 4.138 -10.568 146 HB3 GLU 16 2HB GLU 16 8.735 3.078 -10.021 147 HG2 GLU 16 1HG GLU 16 8.423 4.389 -7.981 148 HG3 GLU 16 2HG GLU 16 9.762 5.449 -8.409 149 H ASP 17 H ASP 17 11.364 4.930 -7.915 150 HA ASP 17 HA ASP 17 14.256 4.453 -8.552 151 HB2 ASP 17 1HB ASP 17 12.914 6.302 -9.773 152 HB3 ASP 17 2HB ASP 17 13.049 7.223 -8.307 153 H LYS 18 H LYS 18 13.523 7.132 -6.639 154 HA LYS 18 HA LYS 18 14.231 5.702 -4.086 155 HB2 LYS 18 1HB LYS 18 14.046 8.704 -4.663 156 HB3 LYS 18 2HB LYS 18 14.549 7.948 -3.146 157 HG2 LYS 18 1HG LYS 18 16.448 6.865 -4.432 158 HG3 LYS 18 2HG LYS 18 16.078 7.951 -5.774 159 HD2 LYS 18 1HD LYS 18 16.518 9.923 -4.341 160 HD3 LYS 18 2HD LYS 18 16.651 8.876 -2.923 161 HE2 LYS 18 1HE LYS 18 18.867 9.318 -3.421 162 HE3 LYS 18 2HE LYS 18 18.599 7.703 -4.094 163 HZ1 LYS 18 3HZ LYS 18 18.294 8.863 -6.291 164 HZ2 LYS 18 1HZ LYS 18 18.795 10.271 -5.544 165 HZ3 LYS 18 2HZ LYS 18 19.783 8.978 -5.656 166 H VAL 19 H VAL 19 11.530 5.756 -5.683 167 HA VAL 19 HA VAL 19 9.888 6.408 -3.322 168 HB VAL 19 HB VAL 19 9.442 7.298 -6.196 169 HG11 VAL 19 1HG1 VAL 19 7.283 6.413 -5.441 170 HG12 VAL 19 2HG1 VAL 19 7.398 7.376 -3.940 171 HG13 VAL 19 3HG1 VAL 19 7.242 8.173 -5.513 172 HG21 VAL 19 3HG2 VAL 19 9.141 9.517 -5.137 173 HG22 VAL 19 1HG2 VAL 19 9.453 8.823 -3.548 174 HG23 VAL 19 2HG2 VAL 19 10.741 8.868 -4.779 175 H ALA 20 H ALA 20 8.059 5.078 -3.131 176 HA ALA 20 HA ALA 20 7.776 2.804 -5.015 177 HB1 ALA 20 1HB ALA 20 7.352 1.290 -3.274 178 HB2 ALA 20 2HB ALA 20 8.759 2.199 -2.676 179 HB3 ALA 20 3HB ALA 20 7.149 2.571 -2.056 180 H THR 21 H THR 21 5.748 2.550 -5.728 181 HA THR 21 HA THR 21 3.531 4.173 -4.630 182 HB THR 21 HB THR 21 3.346 1.904 -6.629 183 HG1 THR 21 1HG THR 21 3.216 4.216 -7.862 184 HG21 THR 21 3HG2 THR 21 1.230 2.732 -5.682 185 HG22 THR 21 1HG2 THR 21 1.615 4.377 -6.209 186 HG23 THR 21 2HG2 THR 21 1.341 3.098 -7.410 187 H VAL 22 H VAL 22 2.132 3.350 -3.028 188 HA VAL 22 HA VAL 22 2.296 0.439 -2.492 189 HB VAL 22 HB VAL 22 1.374 2.608 -0.596 190 HG11 VAL 22 1HG1 VAL 22 0.813 0.202 -0.098 191 HG12 VAL 22 2HG1 VAL 22 2.537 -0.189 -0.099 192 HG13 VAL 22 3HG1 VAL 22 1.842 0.927 1.110 193 HG21 VAL 22 3HG2 VAL 22 3.613 2.492 0.513 194 HG22 VAL 22 1HG2 VAL 22 4.240 1.654 -0.931 195 HG23 VAL 22 2HG2 VAL 22 3.615 3.317 -1.038 196 H GLY 23 H GLY 23 0.385 -0.689 -2.328 197 HA2 GLY 23 1HA GLY 23 -2.158 0.635 -2.056 198 HA3 GLY 23 2HA GLY 23 -2.034 -0.331 -3.511 199 H ILE 24 H ILE 24 -3.820 -1.175 -1.549 200 HA ILE 24 HA ILE 24 -2.505 -3.345 -0.068 201 HB ILE 24 HB ILE 24 -4.795 -4.095 0.486 202 HG12 ILE 24 1HG1 ILE 24 -5.732 -1.343 -0.353 203 HG13 ILE 24 2HG1 ILE 24 -5.883 -2.737 -1.430 204 HG21 ILE 24 1HG2 ILE 24 -5.058 -2.353 2.234 205 HG22 ILE 24 2HG2 ILE 24 -3.405 -2.914 2.052 206 HG23 ILE 24 3HG2 ILE 24 -3.876 -1.344 1.364 207 HD11 ILE 24 3HD1 ILE 24 -7.468 -3.807 -0.084 208 HD12 ILE 24 1HD1 ILE 24 -7.017 -2.901 1.380 209 HD13 ILE 24 2HD1 ILE 24 -7.918 -2.119 0.084 210 H THR 25 H THR 25 -3.133 -5.644 -0.516 211 HA THR 25 HA THR 25 -2.971 -6.159 -3.393 212 HB THR 25 HB THR 25 -2.660 -8.522 -2.569 213 HG1 THR 25 1HG THR 25 -2.427 -8.914 -0.481 214 HG21 THR 25 3HG2 THR 25 -0.722 -7.063 -2.947 215 HG22 THR 25 1HG2 THR 25 -0.839 -6.436 -1.296 216 HG23 THR 25 2HG2 THR 25 -0.431 -8.125 -1.579 217 H ASN 26 H ASN 26 -4.289 -7.942 -4.364 218 HA ASN 26 HA ASN 26 -7.049 -7.428 -4.209 219 HB2 ASN 26 1HB ASN 26 -5.341 -9.320 -5.627 220 HB3 ASN 26 2HB ASN 26 -6.823 -10.104 -5.095 221 HD21 ASN 26 1HD2 ASN 26 -9.020 -8.709 -5.641 222 HD22 ASN 26 2HD2 ASN 26 -8.898 -7.927 -7.198 223 H HIS 27 H HIS 27 -5.123 -9.834 -2.386 224 HA HIS 27 HA HIS 27 -7.246 -11.208 -1.140 225 HB2 HIS 27 1HB HIS 27 -4.731 -11.670 -1.048 226 HB3 HIS 27 2HB HIS 27 -4.635 -10.457 0.211 227 HD1 HIS 27 1HD HIS 27 -5.691 -14.068 -0.395 228 HD2 HIS 27 2HD HIS 27 -5.758 -11.122 2.640 229 HE1 HIS 27 1HE HIS 27 -5.926 -15.317 1.842 230 HE2 HIS 27 2HE HIS 27 -5.709 -13.585 3.680 231 H ALA 28 H ALA 28 -6.297 -7.857 -0.610 232 HA ALA 28 HA ALA 28 -7.558 -7.721 2.058 233 HB1 ALA 28 1HB ALA 28 -6.854 -5.377 1.901 234 HB2 ALA 28 2HB ALA 28 -5.500 -6.475 1.557 235 HB3 ALA 28 3HB ALA 28 -6.331 -5.654 0.223 236 H GLN 29 H GLN 29 -8.149 -6.313 -1.270 237 HA GLN 29 HA GLN 29 -10.568 -5.063 -0.532 238 HB2 GLN 29 1HB GLN 29 -11.147 -4.974 -2.851 239 HB3 GLN 29 2HB GLN 29 -9.484 -4.519 -2.564 240 HG2 GLN 29 1HG GLN 29 -9.379 -5.719 -4.540 241 HG3 GLN 29 2HG GLN 29 -8.785 -6.774 -3.316 242 HE21 GLN 29 1HE2 GLN 29 -9.610 -8.854 -3.445 243 HE22 GLN 29 2HE2 GLN 29 -11.192 -9.172 -4.217 244 H GLU 30 H GLU 30 -9.937 -8.482 -1.196 245 HA GLU 30 HA GLU 30 -12.509 -9.488 -1.475 246 HB2 GLU 30 1HB GLU 30 -9.790 -10.387 -0.848 247 HB3 GLU 30 2HB GLU 30 -10.953 -11.305 0.083 248 HG2 GLU 30 1HG GLU 30 -12.149 -11.977 -1.892 249 HG3 GLU 30 2HG GLU 30 -11.209 -10.902 -2.922 250 H GLN 31 H GLN 31 -11.098 -8.089 1.432 251 HA GLN 31 HA GLN 31 -13.353 -9.149 3.064 252 HB2 GLN 31 1HB GLN 31 -10.692 -7.964 3.949 253 HB3 GLN 31 2HB GLN 31 -11.962 -8.574 5.010 254 HG2 GLN 31 1HG GLN 31 -10.264 -10.210 3.108 255 HG3 GLN 31 2HG GLN 31 -10.178 -10.175 4.862 256 HE21 GLN 31 1HE2 GLN 31 -12.779 -10.427 5.754 257 HE22 GLN 31 2HE2 GLN 31 -13.446 -11.939 5.179 258 H LEU 32 H LEU 32 -12.281 -6.306 1.446 259 HA LEU 32 HA LEU 32 -13.717 -4.507 3.324 260 HB2 LEU 32 1HB LEU 32 -12.090 -3.992 0.834 261 HB3 LEU 32 2HB LEU 32 -13.146 -2.791 1.497 262 HG LEU 32 HG LEU 32 -11.524 -3.903 3.636 263 HD11 LEU 32 1HD1 LEU 32 -9.343 -3.020 2.927 264 HD12 LEU 32 2HD1 LEU 32 -9.894 -4.362 1.901 265 HD13 LEU 32 3HD1 LEU 32 -10.016 -2.678 1.319 266 HD21 LEU 32 3HD2 LEU 32 -12.731 -1.684 3.676 267 HD22 LEU 32 1HD2 LEU 32 -11.038 -1.592 4.138 268 HD23 LEU 32 2HD2 LEU 32 -11.546 -1.093 2.505 269 H GLY 33 H GLY 33 -13.979 -5.801 -0.041 270 HA2 GLY 33 1HA GLY 33 -15.763 -5.910 -1.428 271 HA3 GLY 33 2HA GLY 33 -16.850 -5.575 -0.065 272 H ASP 34 H ASP 34 -18.100 -4.089 -1.101 273 HA ASP 34 HA ASP 34 -17.270 -2.113 -2.940 274 HB2 ASP 34 1HB ASP 34 -19.608 -3.121 -2.465 275 HB3 ASP 34 2HB ASP 34 -19.713 -1.947 -1.183 276 H VAL 35 H VAL 35 -16.031 -0.294 -2.531 277 HA VAL 35 HA VAL 35 -16.171 0.809 0.236 278 HB VAL 35 HB VAL 35 -14.140 -0.216 -0.332 279 HG11 VAL 35 1HG1 VAL 35 -13.250 0.024 -2.165 280 HG12 VAL 35 2HG1 VAL 35 -13.602 1.819 -2.176 281 HG13 VAL 35 3HG1 VAL 35 -12.263 1.118 -1.218 282 HG21 VAL 35 3HG2 VAL 35 -13.381 0.844 1.433 283 HG22 VAL 35 1HG2 VAL 35 -13.073 2.319 0.470 284 HG23 VAL 35 2HG2 VAL 35 -14.620 2.073 1.241 285 H VAL 36 H VAL 36 -15.497 3.036 0.279 286 HA VAL 36 HA VAL 36 -17.369 4.729 -1.224 287 HB VAL 36 HB VAL 36 -18.387 4.918 1.223 288 HG11 VAL 36 1HG1 VAL 36 -20.238 3.421 0.544 289 HG12 VAL 36 2HG1 VAL 36 -19.658 4.359 -0.862 290 HG13 VAL 36 3HG1 VAL 36 -19.194 2.653 -0.666 291 HG21 VAL 36 3HG2 VAL 36 -16.959 3.138 2.190 292 HG22 VAL 36 1HG2 VAL 36 -18.684 2.928 2.458 293 HG23 VAL 36 2HG2 VAL 36 -17.859 1.934 1.239 294 H TYR 37 H TYR 37 -14.953 4.122 1.397 295 HA TYR 37 HA TYR 37 -14.036 6.826 0.820 296 HB2 TYR 37 1HB TYR 37 -15.637 7.171 2.760 297 HB3 TYR 37 2HB TYR 37 -14.647 6.057 3.699 298 HD1 TYR 37 2HD TYR 37 -14.151 9.122 1.493 299 HD2 TYR 37 1HD TYR 37 -13.001 6.960 5.036 300 HE1 TYR 37 2HE TYR 37 -12.335 10.735 1.878 301 HE2 TYR 37 1HE TYR 37 -11.148 8.525 5.418 302 HH TYR 37 HH TYR 37 -10.143 10.773 2.981 303 H VAL 38 H VAL 38 -11.869 7.238 1.598 304 HA VAL 38 HA VAL 38 -10.166 5.082 2.519 305 HB VAL 38 HB VAL 38 -9.899 6.448 -0.199 306 HG11 VAL 38 1HG1 VAL 38 -7.705 6.222 0.853 307 HG12 VAL 38 2HG1 VAL 38 -7.970 4.484 1.079 308 HG13 VAL 38 3HG1 VAL 38 -7.821 5.189 -0.555 309 HG21 VAL 38 3HG2 VAL 38 -11.434 4.367 -0.205 310 HG22 VAL 38 1HG2 VAL 38 -10.212 4.590 -1.446 311 HG23 VAL 38 2HG2 VAL 38 -9.900 3.482 -0.116 312 H ASP 39 H ASP 39 -9.001 5.896 4.007 313 HA ASP 39 HA ASP 39 -8.799 8.710 4.255 314 HB2 ASP 39 1HB ASP 39 -8.836 7.314 6.314 315 HB3 ASP 39 2HB ASP 39 -7.583 6.327 5.678 316 H LEU 40 H LEU 40 -6.889 10.000 3.829 317 HA LEU 40 HA LEU 40 -4.663 8.670 2.412 318 HB2 LEU 40 1HB LEU 40 -5.999 11.243 1.547 319 HB3 LEU 40 2HB LEU 40 -4.534 10.587 0.869 320 HG LEU 40 HG LEU 40 -7.258 9.207 0.697 321 HD11 LEU 40 1HD1 LEU 40 -5.807 10.903 -1.376 322 HD12 LEU 40 2HD1 LEU 40 -7.332 10.002 -1.610 323 HD13 LEU 40 3HD1 LEU 40 -7.275 11.346 -0.459 324 HD21 LEU 40 3HD2 LEU 40 -5.765 7.469 0.237 325 HD22 LEU 40 1HD2 LEU 40 -6.027 8.105 -1.361 326 HD23 LEU 40 2HD2 LEU 40 -4.542 8.532 -0.491 327 HA PRO 41 HA PRO 41 -2.540 11.111 5.470 328 HB2 PRO 41 1HB PRO 41 0.067 10.552 4.737 329 HB3 PRO 41 2HB PRO 41 -1.042 9.410 5.521 330 HG2 PRO 41 1HG PRO 41 -0.257 9.555 2.617 331 HG3 PRO 41 2HG PRO 41 -0.603 8.120 3.641 332 HD2 PRO 41 1HD PRO 41 -2.381 9.358 1.835 333 HD3 PRO 41 2HD PRO 41 -2.778 8.191 3.127 334 H GLU 42 H GLU 42 -0.356 12.666 5.320 335 HA GLU 42 HA GLU 42 -0.942 14.692 3.295 336 HB2 GLU 42 1HB GLU 42 0.193 14.592 6.026 337 HB3 GLU 42 2HB GLU 42 1.338 15.341 4.921 338 HG2 GLU 42 1HG GLU 42 0.138 17.153 5.394 339 HG3 GLU 42 2HG GLU 42 -0.790 16.618 4.016 340 H VAL 43 H VAL 43 0.732 15.610 2.028 341 HA VAL 43 HA VAL 43 2.245 13.597 0.677 342 HB VAL 43 HB VAL 43 0.910 15.774 -0.102 343 HG11 VAL 43 1HG1 VAL 43 3.749 16.823 -0.283 344 HG12 VAL 43 2HG1 VAL 43 2.262 17.619 -0.768 345 HG13 VAL 43 3HG1 VAL 43 2.576 17.358 0.963 346 HG21 VAL 43 3HG2 VAL 43 3.340 14.862 -1.622 347 HG22 VAL 43 1HG2 VAL 43 1.767 14.008 -1.571 348 HG23 VAL 43 2HG2 VAL 43 1.885 15.632 -2.274 349 H GLY 44 H GLY 44 3.124 14.451 3.349 350 HA2 GLY 44 1HA GLY 44 6.028 14.447 2.989 351 HA3 GLY 44 2HA GLY 44 5.416 15.913 3.759 352 H ARG 45 H ARG 45 3.515 13.086 4.411 353 HA ARG 45 HA ARG 45 4.107 13.284 7.256 354 HB2 ARG 45 1HB ARG 45 1.901 12.689 6.342 355 HB3 ARG 45 2HB ARG 45 2.539 11.183 5.679 356 HG2 ARG 45 1HG ARG 45 2.805 10.203 7.833 357 HG3 ARG 45 2HG ARG 45 2.808 11.782 8.647 358 HD2 ARG 45 1HD ARG 45 0.460 12.119 7.908 359 HD3 ARG 45 2HD ARG 45 0.419 10.467 7.278 360 HE ARG 45 HE ARG 45 -0.122 9.775 9.382 361 HH11 ARG 45 2HH2 ARG 45 1.326 13.016 9.756 362 HH12 ARG 45 1HH2 ARG 45 1.117 13.010 11.475 363 HH21 ARG 45 2HH1 ARG 45 -0.406 9.799 11.593 364 HH22 ARG 45 1HH1 ARG 45 0.144 11.130 12.553 365 H GLU 46 H GLU 46 5.900 12.362 8.232 366 HA GLU 46 HA GLU 46 7.534 10.446 6.726 367 HB2 GLU 46 1HB GLU 46 7.773 11.873 9.410 368 HB3 GLU 46 2HB GLU 46 8.845 10.556 8.914 369 HG2 GLU 46 1HG GLU 46 9.258 11.823 6.757 370 HG3 GLU 46 2HG GLU 46 8.362 13.177 7.424 371 H VAL 47 H VAL 47 7.672 8.190 7.295 372 HA VAL 47 HA VAL 47 5.648 7.180 9.191 373 HB VAL 47 HB VAL 47 4.775 5.656 7.482 374 HG11 VAL 47 1HG1 VAL 47 4.520 8.527 6.497 375 HG12 VAL 47 2HG1 VAL 47 3.354 7.216 6.317 376 HG13 VAL 47 3HG1 VAL 47 3.694 7.898 7.921 377 HG21 VAL 47 3HG2 VAL 47 6.342 7.249 5.413 378 HG22 VAL 47 1HG2 VAL 47 6.690 5.571 5.902 379 HG23 VAL 47 2HG2 VAL 47 5.164 5.958 5.099 380 H LYS 48 H LYS 48 5.937 4.978 9.751 381 HA LYS 48 HA LYS 48 8.619 3.797 9.229 382 HB2 LYS 48 1HB LYS 48 6.589 3.534 11.485 383 HB3 LYS 48 2HB LYS 48 7.837 2.314 11.220 384 HG2 LYS 48 1HG LYS 48 8.404 5.239 11.768 385 HG3 LYS 48 2HG LYS 48 8.476 3.915 12.916 386 HD2 LYS 48 1HD LYS 48 10.211 2.835 11.307 387 HD3 LYS 48 2HD LYS 48 10.299 4.453 10.558 388 HE2 LYS 48 1HE LYS 48 10.817 5.396 12.828 389 HE3 LYS 48 2HE LYS 48 10.821 3.741 13.470 390 HZ1 LYS 48 3HZ LYS 48 12.756 4.921 11.588 391 HZ2 LYS 48 1HZ LYS 48 13.008 4.247 13.062 392 HZ3 LYS 48 2HZ LYS 48 12.649 3.307 11.786 393 H LYS 49 H LYS 49 8.501 1.405 9.160 394 HA LYS 49 HA LYS 49 6.822 0.465 7.089 395 HB2 LYS 49 1HB LYS 49 7.967 -1.634 7.450 396 HB3 LYS 49 2HB LYS 49 9.098 -0.287 7.614 397 HG2 LYS 49 1HG LYS 49 9.484 -0.659 9.857 398 HG3 LYS 49 2HG LYS 49 7.858 -1.276 10.180 399 HD2 LYS 49 1HD LYS 49 8.307 -3.383 9.093 400 HD3 LYS 49 2HD LYS 49 9.870 -2.790 8.497 401 HE2 LYS 49 1HE LYS 49 10.717 -2.637 10.809 402 HE3 LYS 49 2HE LYS 49 9.150 -3.199 11.442 403 HZ1 LYS 49 3HZ LYS 49 10.759 -4.751 9.516 404 HZ2 LYS 49 1HZ LYS 49 10.900 -4.973 11.140 405 HZ3 LYS 49 2HZ LYS 49 9.476 -5.289 10.356 406 H GLY 50 H GLY 50 5.480 1.210 9.680 407 HA2 GLY 50 1HA GLY 50 3.409 -0.816 9.518 408 HA3 GLY 50 2HA GLY 50 4.192 -0.783 11.095 409 H GLU 51 H GLU 51 3.734 2.130 9.119 410 HA GLU 51 HA GLU 51 2.273 3.395 11.334 411 HB2 GLU 51 1HB GLU 51 4.241 4.234 9.525 412 HB3 GLU 51 2HB GLU 51 2.783 4.913 8.832 413 HG2 GLU 51 1HG GLU 51 3.750 6.496 10.296 414 HG3 GLU 51 2HG GLU 51 2.291 5.904 11.104 415 H VAL 52 H VAL 52 0.064 3.657 11.302 416 HA VAL 52 HA VAL 52 -1.401 2.717 8.927 417 HB VAL 52 HB VAL 52 -2.439 3.507 11.659 418 HG11 VAL 52 1HG1 VAL 52 -4.116 4.076 9.952 419 HG12 VAL 52 2HG1 VAL 52 -3.876 2.508 9.149 420 HG13 VAL 52 3HG1 VAL 52 -4.595 2.589 10.773 421 HG21 VAL 52 3HG2 VAL 52 -2.957 1.125 11.845 422 HG22 VAL 52 1HG2 VAL 52 -2.198 0.843 10.254 423 HG23 VAL 52 2HG2 VAL 52 -1.224 1.390 11.620 424 H VAL 53 H VAL 53 -1.500 4.212 7.385 425 HA VAL 53 HA VAL 53 -2.052 7.063 8.077 426 HB VAL 53 HB VAL 53 -0.252 7.716 6.492 427 HG11 VAL 53 1HG1 VAL 53 0.836 6.011 8.725 428 HG12 VAL 53 2HG1 VAL 53 1.595 7.393 7.907 429 HG13 VAL 53 3HG1 VAL 53 0.177 7.648 8.913 430 HG21 VAL 53 3HG2 VAL 53 1.432 6.110 5.742 431 HG22 VAL 53 1HG2 VAL 53 0.542 4.778 6.509 432 HG23 VAL 53 2HG2 VAL 53 -0.150 5.666 5.127 433 H ALA 54 H ALA 54 -3.492 4.622 6.668 434 HA ALA 54 HA ALA 54 -4.626 6.139 4.481 435 HB1 ALA 54 1HB ALA 54 -2.572 5.470 3.400 436 HB2 ALA 54 2HB ALA 54 -2.707 3.827 4.001 437 HB3 ALA 54 3HB ALA 54 -3.853 4.398 2.770 438 H SER 55 H SER 55 -5.983 5.348 6.521 439 HA SER 55 HA SER 55 -6.981 2.718 6.684 440 HB2 SER 55 1HB SER 55 -8.079 3.638 8.362 441 HB3 SER 55 2HB SER 55 -7.332 5.133 8.043 442 HG SER 55 HG SER 55 -9.879 4.254 7.898 443 H ILE 56 H ILE 56 -9.156 1.975 6.137 444 HA ILE 56 HA ILE 56 -10.300 3.254 3.748 445 HB ILE 56 HB ILE 56 -9.829 0.296 3.654 446 HG12 ILE 56 1HG1 ILE 56 -7.846 2.188 2.478 447 HG13 ILE 56 2HG1 ILE 56 -7.508 1.090 3.844 448 HG21 ILE 56 1HG2 ILE 56 -10.320 0.812 1.192 449 HG22 ILE 56 2HG2 ILE 56 -11.562 1.446 2.264 450 HG23 ILE 56 3HG2 ILE 56 -10.347 2.535 1.641 451 HD11 ILE 56 3HD1 ILE 56 -8.233 0.179 1.047 452 HD12 ILE 56 1HD1 ILE 56 -6.649 0.139 1.819 453 HD13 ILE 56 2HD1 ILE 56 -7.966 -0.856 2.464 454 H GLU 57 H GLU 57 -12.350 3.643 4.374 455 HA GLU 57 HA GLU 57 -13.721 1.708 6.141 456 HB2 GLU 57 1HB GLU 57 -13.943 4.699 5.785 457 HB3 GLU 57 2HB GLU 57 -15.378 3.760 6.254 458 HG2 GLU 57 1HG GLU 57 -13.972 2.620 8.052 459 HG3 GLU 57 2HG GLU 57 -12.716 3.822 7.717 460 H SER 58 H SER 58 -14.571 0.267 4.876 461 HA SER 58 HA SER 58 -15.976 1.061 2.369 462 HB2 SER 58 1HB SER 58 -15.991 -1.194 1.741 463 HB3 SER 58 2HB SER 58 -14.389 -0.950 2.458 464 HG SER 58 HG SER 58 -15.724 -2.839 2.977 465 H VAL 59 H VAL 59 -18.020 -0.856 2.367 466 HA VAL 59 HA VAL 59 -20.211 0.253 3.599 467 HB VAL 59 HB VAL 59 -21.077 -2.170 3.511 468 HG11 VAL 59 1HG1 VAL 59 -19.961 -0.832 1.015 469 HG12 VAL 59 2HG1 VAL 59 -21.122 -2.174 1.014 470 HG13 VAL 59 3HG1 VAL 59 -21.565 -0.615 1.716 471 HG21 VAL 59 3HG2 VAL 59 -18.687 -3.207 3.637 472 HG22 VAL 59 1HG2 VAL 59 -19.821 -3.849 2.493 473 HG23 VAL 59 2HG2 VAL 59 -18.543 -2.766 1.925 474 H LYS 60 H LYS 60 -17.896 -2.054 5.060 475 HA LYS 60 HA LYS 60 -18.411 -1.065 7.632 476 HB2 LYS 60 1HB LYS 60 -20.397 -2.949 6.905 477 HB3 LYS 60 2HB LYS 60 -19.288 -3.897 7.868 478 HG2 LYS 60 1HG LYS 60 -20.628 -1.290 8.710 479 HG3 LYS 60 2HG LYS 60 -21.071 -2.904 9.224 480 HD2 LYS 60 1HD LYS 60 -18.786 -3.157 10.224 481 HD3 LYS 60 2HD LYS 60 -18.478 -1.448 9.884 482 HE2 LYS 60 1HE LYS 60 -20.274 -0.748 11.355 483 HE3 LYS 60 2HE LYS 60 -20.852 -2.434 11.504 484 HZ1 LYS 60 3HZ LYS 60 -19.600 -2.044 13.411 485 HZ2 LYS 60 1HZ LYS 60 -18.583 -2.900 12.465 486 HZ3 LYS 60 2HZ LYS 60 -18.374 -1.284 12.638 487 H ALA 61 H ALA 61 -16.146 -1.946 5.786 488 HA ALA 61 HA ALA 61 -14.636 -3.459 7.866 489 HB1 ALA 61 1HB ALA 61 -13.863 -2.888 4.992 490 HB2 ALA 61 2HB ALA 61 -12.866 -3.694 6.189 491 HB3 ALA 61 3HB ALA 61 -14.370 -4.470 5.620 492 H ALA 62 H ALA 62 -12.644 -2.464 8.464 493 HA ALA 62 HA ALA 62 -12.111 0.327 7.672 494 HB1 ALA 62 1HB ALA 62 -13.300 0.664 9.700 495 HB2 ALA 62 2HB ALA 62 -12.401 -0.648 10.524 496 HB3 ALA 62 3HB ALA 62 -11.569 0.844 10.032 497 H ALA 63 H ALA 63 -10.454 -0.570 6.407 498 HA ALA 63 HA ALA 63 -8.585 -2.542 7.626 499 HB1 ALA 63 1HB ALA 63 -8.651 -1.312 4.838 500 HB2 ALA 63 2HB ALA 63 -7.515 -2.544 5.398 501 HB3 ALA 63 3HB ALA 63 -9.240 -2.936 5.274 502 H ASP 64 H ASP 64 -6.915 -1.755 8.818 503 HA ASP 64 HA ASP 64 -5.964 1.001 8.538 504 HB2 ASP 64 1HB ASP 64 -4.849 -1.403 10.060 505 HB3 ASP 64 2HB ASP 64 -4.334 0.265 10.179 506 H VAL 65 H VAL 65 -4.805 1.287 6.505 507 HA VAL 65 HA VAL 65 -3.240 -0.874 5.420 508 HB VAL 65 HB VAL 65 -3.478 2.038 4.821 509 HG11 VAL 65 1HG1 VAL 65 -1.210 1.174 4.120 510 HG12 VAL 65 2HG1 VAL 65 -2.056 0.005 3.076 511 HG13 VAL 65 3HG1 VAL 65 -2.237 1.761 2.834 512 HG21 VAL 65 3HG2 VAL 65 -5.461 0.621 4.327 513 HG22 VAL 65 1HG2 VAL 65 -4.717 1.151 2.820 514 HG23 VAL 65 2HG2 VAL 65 -4.452 -0.502 3.426 515 H TYR 66 H TYR 66 -1.110 -1.347 6.262 516 HA TYR 66 HA TYR 66 0.138 0.582 8.148 517 HB2 TYR 66 1HB TYR 66 0.589 -2.380 7.759 518 HB3 TYR 66 2HB TYR 66 1.440 -1.369 8.884 519 HD1 TYR 66 2HD TYR 66 0.250 -0.456 10.888 520 HD2 TYR 66 1HD TYR 66 -1.651 -3.128 8.138 521 HE1 TYR 66 2HE TYR 66 -1.334 -1.194 12.697 522 HE2 TYR 66 1HE TYR 66 -3.163 -3.914 9.843 523 HH TYR 66 HH TYR 66 -3.205 -2.464 13.177 524 H ALA 67 H ALA 67 1.337 1.848 6.892 525 HA ALA 67 HA ALA 67 2.353 1.615 4.456 526 HB1 ALA 67 1HB ALA 67 4.084 3.303 5.051 527 HB2 ALA 67 2HB ALA 67 2.533 3.673 5.843 528 HB3 ALA 67 3HB ALA 67 3.865 2.914 6.756 529 HA PRO 68 HA PRO 68 4.971 -1.752 4.455 530 HB2 PRO 68 1HB PRO 68 6.327 -1.565 2.078 531 HB3 PRO 68 2HB PRO 68 4.561 -1.859 2.204 532 HG2 PRO 68 1HG PRO 68 5.976 0.785 1.757 533 HG3 PRO 68 2HG PRO 68 4.613 0.079 0.838 534 HD2 PRO 68 1HD PRO 68 4.131 1.865 2.814 535 HD3 PRO 68 2HD PRO 68 3.107 0.399 2.669 536 H LEU 69 H LEU 69 6.867 1.241 3.921 537 HA LEU 69 HA LEU 69 9.271 -0.084 5.101 538 HB2 LEU 69 1HB LEU 69 9.194 2.021 2.893 539 HB3 LEU 69 2HB LEU 69 10.620 1.600 3.814 540 HG LEU 69 HG LEU 69 10.971 0.659 1.806 541 HD11 LEU 69 1HD1 LEU 69 11.450 -0.936 3.626 542 HD12 LEU 69 2HD1 LEU 69 9.841 -1.664 3.427 543 HD13 LEU 69 3HD1 LEU 69 11.044 -1.768 2.129 544 HD21 LEU 69 3HD2 LEU 69 8.654 0.933 0.959 545 HD22 LEU 69 1HD2 LEU 69 9.453 -0.551 0.446 546 HD23 LEU 69 2HD2 LEU 69 8.246 -0.607 1.751 547 H SER 70 H SER 70 10.630 1.526 6.209 548 HA SER 70 HA SER 70 9.256 3.868 7.289 549 HB2 SER 70 1HB SER 70 12.226 3.202 7.251 550 HB3 SER 70 2HB SER 70 11.382 4.369 8.301 551 HG SER 70 HG SER 70 11.288 1.524 8.311 552 H GLY 71 H GLY 71 9.400 5.971 6.461 553 HA2 GLY 71 1HA GLY 71 11.087 6.845 4.401 554 HA3 GLY 71 2HA GLY 71 9.670 6.097 3.650 555 H LYS 72 H LYS 72 9.296 8.341 2.848 556 HA LYS 72 HA LYS 72 7.526 9.755 4.766 557 HB2 LYS 72 1HB LYS 72 9.685 10.971 4.769 558 HB3 LYS 72 2HB LYS 72 9.589 11.156 3.021 559 HG2 LYS 72 1HG LYS 72 7.565 12.540 3.240 560 HG3 LYS 72 2HG LYS 72 7.541 12.251 4.978 561 HD2 LYS 72 1HD LYS 72 8.330 14.457 4.565 562 HD3 LYS 72 2HD LYS 72 9.673 13.531 5.212 563 HE2 LYS 72 1HE LYS 72 9.360 13.768 2.215 564 HE3 LYS 72 2HE LYS 72 9.881 15.185 3.125 565 HZ1 LYS 72 3HZ LYS 72 11.309 12.583 3.267 566 HZ2 LYS 72 1HZ LYS 72 11.747 13.864 2.334 567 HZ3 LYS 72 2HZ LYS 72 11.719 13.998 3.981 568 H ILE 73 H ILE 73 5.568 10.203 3.845 569 HA ILE 73 HA ILE 73 4.862 9.187 1.247 570 HB ILE 73 HB ILE 73 3.483 11.260 2.957 571 HG12 ILE 73 1HG1 ILE 73 3.602 9.447 4.453 572 HG13 ILE 73 2HG1 ILE 73 1.995 9.402 3.775 573 HG21 ILE 73 1HG2 ILE 73 1.419 10.586 1.817 574 HG22 ILE 73 2HG2 ILE 73 2.574 11.148 0.659 575 HG23 ILE 73 3HG2 ILE 73 2.315 9.401 0.829 576 HD11 ILE 73 3HD1 ILE 73 2.897 7.621 2.157 577 HD12 ILE 73 1HD1 ILE 73 4.330 7.559 3.208 578 HD13 ILE 73 2HD1 ILE 73 2.733 7.156 3.860 579 H VAL 74 H VAL 74 4.570 10.374 -0.711 580 HA VAL 74 HA VAL 74 5.171 13.258 -0.727 581 HB VAL 74 HB VAL 74 6.787 12.909 -2.645 582 HG11 VAL 74 1HG1 VAL 74 7.800 11.587 -0.126 583 HG12 VAL 74 2HG1 VAL 74 8.735 12.381 -1.410 584 HG13 VAL 74 3HG1 VAL 74 7.653 13.342 -0.390 585 HG21 VAL 74 3HG2 VAL 74 6.122 10.604 -3.309 586 HG22 VAL 74 1HG2 VAL 74 7.855 10.789 -3.073 587 HG23 VAL 74 2HG2 VAL 74 6.883 9.982 -1.828 588 H GLU 75 H GLU 75 3.179 10.674 -1.863 589 HA GLU 75 HA GLU 75 1.850 12.669 -3.475 590 HB2 GLU 75 1HB GLU 75 3.589 10.993 -4.809 591 HB3 GLU 75 2HB GLU 75 2.095 10.065 -4.921 592 HG2 GLU 75 1HG GLU 75 1.018 11.801 -6.130 593 HG3 GLU 75 2HG GLU 75 2.244 13.000 -5.687 594 H VAL 76 H VAL 76 -0.468 11.995 -3.736 595 HA VAL 76 HA VAL 76 -1.261 9.529 -2.329 596 HB VAL 76 HB VAL 76 -3.037 10.682 -1.161 597 HG11 VAL 76 1HG1 VAL 76 -1.791 11.967 0.522 598 HG12 VAL 76 2HG1 VAL 76 -0.843 10.544 0.048 599 HG13 VAL 76 3HG1 VAL 76 -0.424 12.172 -0.548 600 HG21 VAL 76 3HG2 VAL 76 -3.427 12.521 -2.748 601 HG22 VAL 76 1HG2 VAL 76 -3.195 13.149 -1.113 602 HG23 VAL 76 2HG2 VAL 76 -1.868 13.253 -2.295 603 H ASN 77 H ASN 77 -3.279 8.675 -3.242 604 HA ASN 77 HA ASN 77 -3.622 9.557 -6.035 605 HB2 ASN 77 1HB ASN 77 -3.265 7.146 -5.248 606 HB3 ASN 77 2HB ASN 77 -4.903 7.184 -4.665 607 HD21 ASN 77 1HD2 ASN 77 -5.111 5.412 -6.204 608 HD22 ASN 77 2HD2 ASN 77 -5.356 5.634 -7.905 609 H GLU 78 H GLU 78 -4.782 11.568 -5.676 610 HA GLU 78 HA GLU 78 -7.005 11.780 -3.914 611 HB2 GLU 78 1HB GLU 78 -5.754 13.378 -6.094 612 HB3 GLU 78 2HB GLU 78 -7.433 13.718 -5.865 613 HG2 GLU 78 1HG GLU 78 -6.167 13.648 -3.258 614 HG3 GLU 78 2HG GLU 78 -5.220 14.614 -4.362 615 H LYS 79 H LYS 79 -6.784 10.327 -6.891 616 HA LYS 79 HA LYS 79 -9.427 10.295 -7.935 617 HB2 LYS 79 1HB LYS 79 -7.148 8.294 -7.806 618 HB3 LYS 79 2HB LYS 79 -8.588 7.899 -8.654 619 HG2 LYS 79 1HG LYS 79 -6.942 10.370 -9.290 620 HG3 LYS 79 2HG LYS 79 -6.642 8.804 -10.054 621 HD2 LYS 79 1HD LYS 79 -9.362 10.146 -10.080 622 HD3 LYS 79 2HD LYS 79 -8.146 10.426 -11.335 623 HE2 LYS 79 1HE LYS 79 -8.117 8.099 -11.969 624 HE3 LYS 79 2HE LYS 79 -9.125 7.630 -10.591 625 HZ1 LYS 79 3HZ LYS 79 -10.257 7.867 -12.783 626 HZ2 LYS 79 1HZ LYS 79 -10.988 8.591 -11.541 627 HZ3 LYS 79 2HZ LYS 79 -10.127 9.504 -12.621 628 H LEU 80 H LEU 80 -8.031 8.552 -5.126 629 HA LEU 80 HA LEU 80 -10.209 6.682 -4.944 630 HB2 LEU 80 1HB LEU 80 -7.956 7.496 -3.072 631 HB3 LEU 80 2HB LEU 80 -9.156 6.304 -2.620 632 HG LEU 80 HG LEU 80 -6.734 5.778 -3.836 633 HD11 LEU 80 1HD1 LEU 80 -9.241 4.015 -3.891 634 HD12 LEU 80 2HD1 LEU 80 -7.542 3.482 -4.000 635 HD13 LEU 80 3HD1 LEU 80 -8.091 4.246 -2.522 636 HD21 LEU 80 3HD2 LEU 80 -8.872 5.216 -5.931 637 HD22 LEU 80 1HD2 LEU 80 -7.557 6.409 -6.114 638 HD23 LEU 80 2HD2 LEU 80 -7.188 4.692 -5.978 639 H ASP 81 H ASP 81 -10.107 10.031 -4.127 640 HA ASP 81 HA ASP 81 -12.034 9.884 -1.937 641 HB2 ASP 81 1HB ASP 81 -10.558 11.882 -2.580 642 HB3 ASP 81 2HB ASP 81 -11.671 12.175 -3.909 643 H THR 82 H THR 82 -12.162 10.108 -5.523 644 HA THR 82 HA THR 82 -15.106 10.238 -5.448 645 HB THR 82 HB THR 82 -14.825 10.735 -7.878 646 HG1 THR 82 1HG THR 82 -12.949 10.179 -8.569 647 HG21 THR 82 3HG2 THR 82 -15.082 12.532 -6.232 648 HG22 THR 82 1HG2 THR 82 -13.334 12.544 -5.905 649 HG23 THR 82 2HG2 THR 82 -13.941 13.029 -7.495 650 H GLU 83 H GLU 83 -12.500 8.104 -6.728 651 HA GLU 83 HA GLU 83 -14.499 5.914 -7.047 652 HB2 GLU 83 1HB GLU 83 -12.076 6.765 -8.554 653 HB3 GLU 83 2HB GLU 83 -12.554 5.065 -8.656 654 HG2 GLU 83 1HG GLU 83 -14.542 5.548 -9.823 655 HG3 GLU 83 2HG GLU 83 -14.467 7.269 -9.421 656 HA PRO 84 HA PRO 84 -11.451 4.822 -3.682 657 HB2 PRO 84 1HB PRO 84 -13.415 4.004 -1.842 658 HB3 PRO 84 2HB PRO 84 -12.666 5.613 -1.903 659 HG2 PRO 84 1HG PRO 84 -15.326 4.750 -2.935 660 HG3 PRO 84 2HG PRO 84 -14.858 6.334 -2.233 661 HD2 PRO 84 1HD PRO 84 -15.169 5.890 -4.937 662 HD3 PRO 84 2HD PRO 84 -14.016 7.071 -4.341 663 H GLU 85 H GLU 85 -14.447 3.237 -4.889 664 HA GLU 85 HA GLU 85 -13.919 0.576 -3.960 665 HB2 GLU 85 1HB GLU 85 -16.085 1.287 -4.576 666 HB3 GLU 85 2HB GLU 85 -15.613 1.751 -6.198 667 HG2 GLU 85 1HG GLU 85 -15.263 -1.144 -5.424 668 HG3 GLU 85 2HG GLU 85 -16.898 -0.521 -5.598 669 H LEU 86 H LEU 86 -12.247 2.370 -6.438 670 HA LEU 86 HA LEU 86 -11.702 0.347 -8.279 671 HB2 LEU 86 1HB LEU 86 -10.576 3.000 -7.613 672 HB3 LEU 86 2HB LEU 86 -9.293 1.895 -8.045 673 HG LEU 86 HG LEU 86 -11.482 3.006 -9.789 674 HD11 LEU 86 1HD1 LEU 86 -9.067 3.877 -9.612 675 HD12 LEU 86 2HD1 LEU 86 -8.566 2.314 -10.272 676 HD13 LEU 86 3HD1 LEU 86 -9.588 3.406 -11.230 677 HD21 LEU 86 3HD2 LEU 86 -10.736 1.409 -11.604 678 HD22 LEU 86 1HD2 LEU 86 -9.949 0.427 -10.368 679 HD23 LEU 86 2HD2 LEU 86 -11.739 0.650 -10.372 680 H ILE 87 H ILE 87 -10.517 0.646 -5.046 681 HA ILE 87 HA ILE 87 -8.155 -0.933 -5.362 682 HB ILE 87 HB ILE 87 -9.904 -0.811 -2.883 683 HG12 ILE 87 1HG1 ILE 87 -7.568 1.082 -3.461 684 HG13 ILE 87 2HG1 ILE 87 -9.227 1.534 -3.786 685 HG21 ILE 87 1HG2 ILE 87 -6.927 -1.342 -3.396 686 HG22 ILE 87 2HG2 ILE 87 -7.625 -1.088 -1.800 687 HG23 ILE 87 3HG2 ILE 87 -8.127 -2.483 -2.742 688 HD11 ILE 87 3HD1 ILE 87 -8.690 2.410 -1.646 689 HD12 ILE 87 1HD1 ILE 87 -9.823 1.085 -1.400 690 HD13 ILE 87 2HD1 ILE 87 -8.089 0.873 -1.073 691 H ASN 88 H ASN 88 -11.573 -1.764 -5.358 692 HA ASN 88 HA ASN 88 -11.337 -4.627 -4.965 693 HB2 ASN 88 1HB ASN 88 -13.334 -2.964 -6.527 694 HB3 ASN 88 2HB ASN 88 -13.410 -4.686 -6.348 695 HD21 ASN 88 1HD2 ASN 88 -13.180 -1.858 -4.103 696 HD22 ASN 88 2HD2 ASN 88 -14.155 -2.678 -2.851 697 H LYS 89 H LYS 89 -11.528 -2.512 -7.670 698 HA LYS 89 HA LYS 89 -11.560 -4.369 -9.785 699 HB2 LYS 89 1HB LYS 89 -10.936 -1.398 -9.504 700 HB3 LYS 89 2HB LYS 89 -11.114 -2.116 -11.044 701 HG2 LYS 89 1HG LYS 89 -13.373 -2.662 -9.082 702 HG3 LYS 89 2HG LYS 89 -13.133 -0.969 -9.621 703 HD2 LYS 89 1HD LYS 89 -13.339 -1.619 -11.949 704 HD3 LYS 89 2HD LYS 89 -13.434 -3.338 -11.525 705 HE2 LYS 89 1HE LYS 89 -15.658 -2.433 -12.012 706 HE3 LYS 89 2HE LYS 89 -15.529 -2.955 -10.312 707 HZ1 LYS 89 3HZ LYS 89 -15.300 -0.708 -9.624 708 HZ2 LYS 89 1HZ LYS 89 -15.214 -0.104 -11.144 709 HZ3 LYS 89 2HZ LYS 89 -16.597 -0.774 -10.544 710 H ASP 90 H ASP 90 -8.997 -2.018 -8.942 711 HA ASP 90 HA ASP 90 -6.980 -3.738 -10.299 712 HB2 ASP 90 1HB ASP 90 -7.307 -0.763 -10.749 713 HB3 ASP 90 2HB ASP 90 -6.244 -1.859 -11.601 714 HA PRO 91 HA PRO 91 -6.145 -1.816 -6.061 715 HB2 PRO 91 1HB PRO 91 -4.854 -4.170 -5.051 716 HB3 PRO 91 2HB PRO 91 -6.483 -3.580 -4.658 717 HG2 PRO 91 1HG PRO 91 -5.581 -5.734 -6.491 718 HG3 PRO 91 2HG PRO 91 -7.179 -5.547 -5.701 719 HD2 PRO 91 1HD PRO 91 -6.660 -5.076 -8.405 720 HD3 PRO 91 2HD PRO 91 -7.994 -4.329 -7.488 721 H GLU 92 H GLU 92 -4.132 -3.265 -8.466 722 HA GLU 92 HA GLU 92 -1.652 -2.262 -7.271 723 HB2 GLU 92 1HB GLU 92 -0.888 -4.404 -8.758 724 HB3 GLU 92 2HB GLU 92 -1.058 -4.366 -7.012 725 HG2 GLU 92 1HG GLU 92 -2.019 -6.359 -7.825 726 HG3 GLU 92 2HG GLU 92 -3.336 -5.384 -7.224 727 H GLY 93 H GLY 93 -3.799 -1.501 -9.441 728 HA2 GLY 93 1HA GLY 93 -1.759 -0.439 -11.353 729 HA3 GLY 93 2HA GLY 93 -3.391 -0.897 -11.870 730 H GLU 94 H GLU 94 -5.150 0.442 -11.278 731 HA GLU 94 HA GLU 94 -4.327 3.214 -10.843 732 HB2 GLU 94 1HB GLU 94 -6.833 1.771 -11.725 733 HB3 GLU 94 2HB GLU 94 -6.907 3.482 -11.419 734 HG2 GLU 94 1HG GLU 94 -4.992 2.120 -13.380 735 HG3 GLU 94 2HG GLU 94 -6.538 2.833 -13.811 736 H GLY 95 H GLY 95 -5.737 0.687 -8.845 737 HA2 GLY 95 1HA GLY 95 -6.945 2.558 -6.937 738 HA3 GLY 95 2HA GLY 95 -6.919 0.813 -6.862 739 H TRP 96 H TRP 96 -4.033 2.910 -7.264 740 HA TRP 96 HA TRP 96 -2.774 1.806 -4.864 741 HB2 TRP 96 1HB TRP 96 -0.971 3.349 -5.294 742 HB3 TRP 96 2HB TRP 96 -1.339 2.421 -6.730 743 HD1 TRP 96 HD TRP 96 -2.662 3.780 -8.708 744 HE1 TRP 96 1HE TRP 96 -2.502 6.207 -9.470 745 HE3 TRP 96 3HE TRP 96 -0.533 5.819 -4.513 746 HZ2 TRP 96 2HZ TRP 96 -1.633 8.713 -8.396 747 HZ3 TRP 96 3HZ TRP 96 -0.182 8.344 -4.393 748 HH2 TRP 96 HH TRP 96 -0.656 9.724 -6.371 749 H LEU 97 H LEU 97 -2.064 3.273 -3.092 750 HA LEU 97 HA LEU 97 -4.345 5.069 -2.330 751 HB2 LEU 97 1HB LEU 97 -2.318 3.727 -0.530 752 HB3 LEU 97 2HB LEU 97 -3.707 4.691 -0.052 753 HG LEU 97 HG LEU 97 -4.374 2.275 -1.711 754 HD11 LEU 97 1HD1 LEU 97 -4.075 0.681 0.059 755 HD12 LEU 97 2HD1 LEU 97 -2.505 1.451 -0.255 756 HD13 LEU 97 3HD1 LEU 97 -3.450 1.957 1.130 757 HD21 LEU 97 3HD2 LEU 97 -5.410 3.201 1.035 758 HD22 LEU 97 1HD2 LEU 97 -6.088 3.720 -0.543 759 HD23 LEU 97 2HD2 LEU 97 -6.165 2.030 -0.037 760 H PHE 98 H PHE 98 -0.761 4.740 -1.757 761 HA PHE 98 HA PHE 98 -0.459 7.596 -2.352 762 HB2 PHE 98 1HB PHE 98 0.786 8.018 -0.294 763 HB3 PHE 98 2HB PHE 98 -0.886 7.599 0.016 764 HD1 PHE 98 2HD PHE 98 2.596 6.153 0.019 765 HD2 PHE 98 1HD PHE 98 -1.424 5.861 1.510 766 HE1 PHE 98 2HE PHE 98 3.351 4.542 1.749 767 HE2 PHE 98 1HE PHE 98 -0.628 4.268 3.278 768 HZ PHE 98 HZ PHE 98 1.754 3.607 3.372 769 H LYS 99 H LYS 99 1.873 8.224 -2.344 770 HA LYS 99 HA LYS 99 3.695 5.967 -2.965 771 HB2 LYS 99 1HB LYS 99 3.799 8.731 -4.250 772 HB3 LYS 99 2HB LYS 99 5.001 7.492 -4.369 773 HG2 LYS 99 1HG LYS 99 2.915 6.017 -5.220 774 HG3 LYS 99 2HG LYS 99 2.285 7.578 -5.678 775 HD2 LYS 99 1HD LYS 99 5.118 6.755 -6.450 776 HD3 LYS 99 2HD LYS 99 3.746 6.190 -7.378 777 HE2 LYS 99 1HE LYS 99 3.853 9.117 -6.749 778 HE3 LYS 99 2HE LYS 99 4.988 8.488 -7.955 779 HZ1 LYS 99 3HZ LYS 99 2.128 7.846 -8.161 780 HZ2 LYS 99 1HZ LYS 99 2.727 9.276 -8.701 781 HZ3 LYS 99 2HZ LYS 99 3.295 7.824 -9.316 782 H MET 100 H MET 100 5.809 6.246 -2.184 783 HA MET 100 HA MET 100 6.258 8.438 -0.263 784 HB2 MET 100 1HB MET 100 6.950 6.656 1.397 785 HB3 MET 100 2HB MET 100 5.228 6.944 1.205 786 HG2 MET 100 1HG MET 100 4.784 4.973 0.132 787 HG3 MET 100 2HG MET 100 6.373 4.679 -0.427 788 HE1 MET 100 3HE MET 100 7.510 5.419 3.075 789 HE2 MET 100 1HE MET 100 7.943 3.736 3.337 790 HE3 MET 100 2HE MET 100 8.398 4.525 1.807 791 H GLU 101 H GLU 101 8.366 8.893 0.055 792 HA GLU 101 HA GLU 101 10.396 7.872 -1.703 793 HB2 GLU 101 1HB GLU 101 10.513 10.165 -0.900 794 HB3 GLU 101 2HB GLU 101 10.538 9.606 0.789 795 HG2 GLU 101 1HG GLU 101 12.711 8.416 0.332 796 HG3 GLU 101 2HG GLU 101 12.677 9.028 -1.319 797 H ILE 102 H ILE 102 11.527 6.052 -1.390 798 HA ILE 102 HA ILE 102 11.453 4.570 1.124 799 HB ILE 102 HB ILE 102 13.081 3.081 -0.070 800 HG12 ILE 102 1HG1 ILE 102 12.065 4.288 -2.643 801 HG13 ILE 102 2HG1 ILE 102 13.591 4.867 -1.960 802 HG21 ILE 102 1HG2 ILE 102 11.234 2.015 -1.382 803 HG22 ILE 102 2HG2 ILE 102 10.685 2.607 0.199 804 HG23 ILE 102 3HG2 ILE 102 10.323 3.528 -1.291 805 HD11 ILE 102 3HD1 ILE 102 13.845 3.068 -3.665 806 HD12 ILE 102 1HD1 ILE 102 14.656 2.838 -2.115 807 HD13 ILE 102 2HD1 ILE 102 13.174 1.927 -2.482 808 H SER 103 H SER 103 12.468 5.672 2.668 809 HA SER 103 HA SER 103 14.752 7.412 2.055 810 HB2 SER 103 1HB SER 103 13.360 6.694 4.657 811 HB3 SER 103 2HB SER 103 14.584 7.956 4.459 812 HG SER 103 HG SER 103 12.401 7.932 2.713 813 H ASP 104 H ASP 104 14.383 4.065 2.615 814 HA ASP 104 HA ASP 104 17.276 3.646 3.037 815 HB2 ASP 104 1HB ASP 104 15.088 2.590 4.883 816 HB3 ASP 104 2HB ASP 104 16.730 1.933 4.769 817 H GLU 105 H GLU 105 17.340 2.612 0.905 818 HA GLU 105 HA GLU 105 15.225 0.748 0.144 819 HB2 GLU 105 1HB GLU 105 15.935 1.164 -1.897 820 HB3 GLU 105 2HB GLU 105 17.166 2.217 -1.252 821 HG2 GLU 105 1HG GLU 105 18.602 0.001 -1.071 822 HG3 GLU 105 2HG GLU 105 17.383 -0.671 -2.162 823 H GLY 106 H GLY 106 17.718 0.546 2.231 824 HA2 GLY 106 1HA GLY 106 18.679 -2.185 1.926 825 HA3 GLY 106 2HA GLY 106 18.780 -1.218 3.392 826 H GLU 107 H GLU 107 16.041 -0.594 3.647 827 HA GLU 107 HA GLU 107 15.075 -2.829 5.133 828 HB2 GLU 107 1HB GLU 107 13.698 -0.289 4.193 829 HB3 GLU 107 2HB GLU 107 13.107 -1.360 5.459 830 HG2 GLU 107 1HG GLU 107 15.790 0.075 5.654 831 HG3 GLU 107 2HG GLU 107 14.269 0.791 6.177 832 H LEU 108 H LEU 108 14.926 -2.278 1.732 833 HA LEU 108 HA LEU 108 12.306 -3.478 1.335 834 HB2 LEU 108 1HB LEU 108 14.626 -3.565 -0.593 835 HB3 LEU 108 2HB LEU 108 12.916 -3.805 -0.947 836 HG LEU 108 HG LEU 108 14.349 -1.252 -0.361 837 HD11 LEU 108 1HD1 LEU 108 13.531 -0.599 -2.539 838 HD12 LEU 108 2HD1 LEU 108 14.383 -2.140 -2.653 839 HD13 LEU 108 3HD1 LEU 108 12.590 -2.134 -2.676 840 HD21 LEU 108 3HD2 LEU 108 12.215 -0.034 -0.640 841 HD22 LEU 108 1HD2 LEU 108 11.394 -1.575 -0.270 842 HD23 LEU 108 2HD2 LEU 108 12.541 -0.816 0.889 843 H GLU 109 H GLU 109 15.441 -4.759 2.293 844 HA GLU 109 HA GLU 109 14.854 -7.470 1.360 845 HB2 GLU 109 1HB GLU 109 16.972 -6.225 3.089 846 HB3 GLU 109 2HB GLU 109 16.732 -7.967 3.129 847 HG2 GLU 109 1HG GLU 109 17.187 -6.407 0.542 848 HG3 GLU 109 2HG GLU 109 18.478 -7.158 1.479 849 H ASP 110 H ASP 110 13.722 -5.520 3.993 850 HA ASP 110 HA ASP 110 13.051 -7.785 5.751 851 HB2 ASP 110 1HB ASP 110 13.598 -5.585 6.674 852 HB3 ASP 110 2HB ASP 110 12.313 -4.839 5.741 853 H LEU 111 H LEU 111 11.691 -6.205 2.951 854 HA LEU 111 HA LEU 111 8.897 -7.034 3.365 855 HB2 LEU 111 1HB LEU 111 10.421 -6.107 0.898 856 HB3 LEU 111 2HB LEU 111 8.693 -6.334 0.989 857 HG LEU 111 HG LEU 111 10.232 -4.219 2.515 858 HD11 LEU 111 1HD1 LEU 111 10.152 -3.812 0.092 859 HD12 LEU 111 2HD1 LEU 111 8.392 -4.123 0.072 860 HD13 LEU 111 3HD1 LEU 111 9.041 -2.715 0.924 861 HD21 LEU 111 3HD2 LEU 111 7.236 -4.790 2.296 862 HD22 LEU 111 1HD2 LEU 111 8.234 -4.880 3.771 863 HD23 LEU 111 2HD2 LEU 111 7.952 -3.322 2.994 864 H LEU 112 H LEU 112 7.958 -8.334 1.417 865 HA LEU 112 HA LEU 112 9.476 -10.905 1.254 866 HB2 LEU 112 1HB LEU 112 6.536 -10.152 1.154 867 HB3 LEU 112 2HB LEU 112 7.094 -11.737 0.648 868 HG LEU 112 HG LEU 112 7.773 -10.662 3.409 869 HD11 LEU 112 1HD1 LEU 112 5.283 -12.143 2.466 870 HD12 LEU 112 2HD1 LEU 112 5.809 -12.025 4.157 871 HD13 LEU 112 3HD1 LEU 112 5.389 -10.552 3.250 872 HD21 LEU 112 3HD2 LEU 112 9.037 -12.683 2.561 873 HD22 LEU 112 1HD2 LEU 112 8.021 -13.037 3.962 874 HD23 LEU 112 2HD2 LEU 112 7.472 -13.511 2.353 875 H ASP 113 H ASP 113 9.684 -11.962 -0.643 876 HA ASP 113 HA ASP 113 9.370 -10.673 -3.217 877 HB2 ASP 113 1HB ASP 113 9.855 -13.556 -2.348 878 HB3 ASP 113 2HB ASP 113 9.658 -13.114 -4.029 879 H GLU 114 H GLU 114 7.995 -11.985 -4.861 880 HA GLU 114 HA GLU 114 5.210 -11.636 -4.124 881 HB2 GLU 114 1HB GLU 114 6.229 -11.056 -6.341 882 HB3 GLU 114 2HB GLU 114 6.432 -12.770 -6.668 883 HG2 GLU 114 1HG GLU 114 3.976 -13.107 -6.537 884 HG3 GLU 114 2HG GLU 114 3.765 -11.378 -6.207 885 H GLN 115 H GLN 115 7.211 -14.521 -5.219 886 HA GLN 115 HA GLN 115 5.324 -16.455 -4.701 887 HB2 GLN 115 1HB GLN 115 7.721 -16.483 -5.816 888 HB3 GLN 115 2HB GLN 115 8.311 -16.819 -4.188 889 HG2 GLN 115 1HG GLN 115 6.737 -18.768 -4.081 890 HG3 GLN 115 2HG GLN 115 6.205 -18.388 -5.728 891 HE21 GLN 115 1HE2 GLN 115 8.184 -20.460 -4.071 892 HE22 GLN 115 2HE2 GLN 115 9.439 -20.724 -5.244 893 H ALA 116 H ALA 116 7.676 -14.922 -2.503 894 HA ALA 116 HA ALA 116 7.229 -16.667 -0.258 895 HB1 ALA 116 1HB ALA 116 8.484 -14.992 0.989 896 HB2 ALA 116 2HB ALA 116 9.269 -15.251 -0.573 897 HB3 ALA 116 3HB ALA 116 8.279 -13.801 -0.311 898 H TYR 117 H TYR 117 5.763 -13.556 -1.318 899 HA TYR 117 HA TYR 117 4.036 -13.257 0.965 900 HB2 TYR 117 1HB TYR 117 4.484 -11.350 -0.312 901 HB3 TYR 117 2HB TYR 117 4.174 -12.149 -1.840 902 HD1 TYR 117 1HD TYR 117 2.294 -11.411 1.357 903 HD2 TYR 117 2HD TYR 117 2.230 -11.551 -2.950 904 HE1 TYR 117 1HE TYR 117 -0.075 -10.809 1.385 905 HE2 TYR 117 2HE TYR 117 -0.153 -10.889 -2.951 906 HH TYR 117 HH TYR 117 -2.064 -11.378 -0.450 907 H GLN 118 H GLN 118 3.651 -14.894 -2.210 908 HA GLN 118 HA GLN 118 0.973 -15.742 -1.830 909 HB2 GLN 118 1HB GLN 118 1.389 -16.315 -3.898 910 HB3 GLN 118 2HB GLN 118 3.128 -16.227 -3.703 911 HG2 GLN 118 1HG GLN 118 3.255 -18.541 -3.015 912 HG3 GLN 118 2HG GLN 118 1.493 -18.688 -3.015 913 HE21 GLN 118 1HE2 GLN 118 3.861 -19.903 -4.696 914 HE22 GLN 118 2HE2 GLN 118 3.308 -19.714 -6.342 915 H GLU 119 H GLU 119 4.026 -17.446 -0.940 916 HA GLU 119 HA GLU 119 2.619 -19.572 0.267 917 HB2 GLU 119 1HB GLU 119 5.192 -19.208 -0.441 918 HB3 GLU 119 2HB GLU 119 5.367 -18.923 1.301 919 HG2 GLU 119 1HG GLU 119 4.342 -21.121 1.760 920 HG3 GLU 119 2HG GLU 119 3.940 -21.321 0.051 921 H PHE 120 H PHE 120 3.443 -16.391 1.600 922 HA PHE 120 HA PHE 120 2.668 -16.976 4.323 923 HB2 PHE 120 1HB PHE 120 3.897 -14.953 3.646 924 HB3 PHE 120 2HB PHE 120 2.489 -14.364 2.788 925 HD1 PHE 120 2HD PHE 120 3.184 -15.817 6.216 926 HD2 PHE 120 1HD PHE 120 1.276 -12.701 3.911 927 HE1 PHE 120 2HE PHE 120 2.226 -14.887 8.270 928 HE2 PHE 120 1HE PHE 120 0.373 -11.730 6.010 929 HZ PHE 120 HZ PHE 120 0.880 -12.772 8.191 930 H CYS 121 H CYS 121 0.843 -16.480 1.364 931 HA CYS 121 HA CYS 121 -1.756 -16.209 2.712 932 HB2 CYS 121 1HB CYS 121 -1.329 -15.596 0.231 933 HB3 CYS 121 2HB CYS 121 -1.390 -17.337 -0.083 934 HG CYS 121 HG CYS 121 -3.696 -17.755 1.096 935 H ALA 122 H ALA 122 0.134 -18.907 1.253 936 HA ALA 122 HA ALA 122 -1.753 -20.936 1.931 937 HB1 ALA 122 1HB ALA 122 1.262 -21.222 1.605 938 HB2 ALA 122 2HB ALA 122 0.047 -22.510 1.488 939 HB3 ALA 122 3HB ALA 122 0.071 -21.231 0.268 940 H GLN 123 H GLN 123 0.528 -19.247 3.942 941 HA GLN 123 HA GLN 123 0.392 -21.131 6.194 942 HB2 GLN 123 1HB GLN 123 1.687 -18.492 5.525 943 HB3 GLN 123 2HB GLN 123 1.474 -18.860 7.214 944 HG2 GLN 123 1HG GLN 123 2.797 -20.859 5.337 945 HG3 GLN 123 2HG GLN 123 3.695 -19.515 6.038 946 HE21 GLN 123 1HE2 GLN 123 4.735 -21.914 6.717 947 HE22 GLN 123 2HE2 GLN 123 4.326 -22.302 8.368 948 H GLU 124 H GLU 124 -1.781 -18.703 4.951 949 HA GLU 124 HA GLU 124 -2.443 -17.597 7.568 950 HB2 GLU 124 1HB GLU 124 -2.459 -16.176 5.588 951 HB3 GLU 124 2HB GLU 124 -3.735 -17.153 4.836 952 HG2 GLU 124 1HG GLU 124 -5.358 -16.485 6.443 953 HG3 GLU 124 2HG GLU 124 -4.105 -15.973 7.589 Start of MODEL 7 1 H1 MET 1 H MET 1 17.299 -3.495 -10.263 2 HA MET 1 HA MET 1 17.633 -1.257 -11.064 3 HB2 MET 1 1HB MET 1 18.509 -2.362 -13.313 4 HB3 MET 1 2HB MET 1 16.855 -2.126 -13.856 5 HG2 MET 1 1HG MET 1 18.640 0.058 -12.693 6 HG3 MET 1 2HG MET 1 18.511 -0.320 -14.410 7 HE1 MET 1 3HE MET 1 16.650 3.002 -14.550 8 HE2 MET 1 1HE MET 1 18.029 2.679 -13.475 9 HE3 MET 1 2HE MET 1 18.007 2.005 -15.116 10 H LYS 2 H LYS 2 15.866 -0.495 -10.026 11 HA LYS 2 HA LYS 2 13.723 -0.120 -9.316 12 HB2 LYS 2 1HB LYS 2 12.737 -1.208 -11.955 13 HB3 LYS 2 2HB LYS 2 11.829 -0.274 -10.790 14 HG2 LYS 2 1HG LYS 2 12.739 1.723 -11.443 15 HG3 LYS 2 2HG LYS 2 14.344 1.076 -11.636 16 HD2 LYS 2 1HD LYS 2 13.895 1.608 -13.803 17 HD3 LYS 2 2HD LYS 2 13.351 -0.064 -13.802 18 HE2 LYS 2 1HE LYS 2 11.603 1.120 -14.843 19 HE3 LYS 2 2HE LYS 2 11.013 0.942 -13.178 20 HZ1 LYS 2 3HZ LYS 2 11.880 3.257 -12.788 21 HZ2 LYS 2 1HZ LYS 2 12.357 3.323 -14.335 22 HZ3 LYS 2 2HZ LYS 2 10.793 3.249 -14.020 23 H MET 3 H MET 3 11.814 -1.364 -8.336 24 HA MET 3 HA MET 3 12.099 -4.275 -8.218 25 HB2 MET 3 1HB MET 3 12.785 -4.228 -5.846 26 HB3 MET 3 2HB MET 3 13.997 -3.521 -6.898 27 HG2 MET 3 1HG MET 3 12.564 -1.292 -6.194 28 HG3 MET 3 2HG MET 3 12.449 -2.292 -4.752 29 HE1 MET 3 3HE MET 3 15.303 -1.669 -7.472 30 HE2 MET 3 1HE MET 3 14.668 -0.053 -7.047 31 HE3 MET 3 2HE MET 3 16.319 -0.524 -6.583 32 H LYS 4 H LYS 4 10.661 -5.147 -6.415 33 HA LYS 4 HA LYS 4 8.276 -3.571 -5.783 34 HB2 LYS 4 1HB LYS 4 7.979 -4.038 -8.135 35 HB3 LYS 4 2HB LYS 4 8.256 -5.780 -7.842 36 HG2 LYS 4 1HG LYS 4 6.109 -5.318 -6.183 37 HG3 LYS 4 2HG LYS 4 5.895 -4.008 -7.342 38 HD2 LYS 4 1HD LYS 4 6.293 -5.991 -9.121 39 HD3 LYS 4 2HD LYS 4 5.815 -6.995 -7.754 40 HE2 LYS 4 1HE LYS 4 3.749 -6.566 -8.746 41 HE3 LYS 4 2HE LYS 4 3.838 -5.301 -7.514 42 HZ1 LYS 4 3HZ LYS 4 3.201 -4.286 -9.547 43 HZ2 LYS 4 1HZ LYS 4 4.806 -3.876 -9.358 44 HZ3 LYS 4 2HZ LYS 4 4.389 -5.056 -10.397 45 H LYS 5 H LYS 5 9.564 -4.486 -3.627 46 HA LYS 5 HA LYS 5 8.772 -7.269 -3.112 47 HB2 LYS 5 1HB LYS 5 9.837 -5.136 -1.263 48 HB3 LYS 5 2HB LYS 5 9.630 -6.858 -0.875 49 HG2 LYS 5 1HG LYS 5 11.150 -6.861 -3.284 50 HG3 LYS 5 2HG LYS 5 11.834 -5.583 -2.284 51 HD2 LYS 5 1HD LYS 5 13.128 -7.299 -1.583 52 HD3 LYS 5 2HD LYS 5 11.820 -7.487 -0.416 53 HE2 LYS 5 1HE LYS 5 10.767 -9.178 -1.944 54 HE3 LYS 5 2HE LYS 5 12.165 -9.029 -3.010 55 HZ1 LYS 5 3HZ LYS 5 13.567 -9.853 -1.241 56 HZ2 LYS 5 1HZ LYS 5 12.292 -9.926 -0.192 57 HZ3 LYS 5 2HZ LYS 5 12.329 -10.894 -1.537 58 H TYR 6 H TYR 6 7.611 -7.706 -0.933 59 HA TYR 6 HA TYR 6 4.992 -6.272 -0.828 60 HB2 TYR 6 1HB TYR 6 5.701 -9.229 -0.922 61 HB3 TYR 6 2HB TYR 6 4.119 -8.652 -0.396 62 HD1 TYR 6 2HD TYR 6 6.531 -8.420 -3.263 63 HD2 TYR 6 1HD TYR 6 2.401 -8.467 -2.001 64 HE1 TYR 6 2HE TYR 6 5.846 -7.927 -5.531 65 HE2 TYR 6 1HE TYR 6 1.689 -8.175 -4.362 66 HH TYR 6 HH TYR 6 2.873 -8.283 -6.827 67 H THR 7 H THR 7 3.651 -6.823 1.219 68 HA THR 7 HA THR 7 5.446 -6.656 3.547 69 HB THR 7 HB THR 7 3.467 -5.626 4.619 70 HG1 THR 7 1HG THR 7 2.268 -5.797 2.081 71 HG21 THR 7 3HG2 THR 7 4.886 -4.000 3.543 72 HG22 THR 7 1HG2 THR 7 4.035 -4.216 1.975 73 HG23 THR 7 2HG2 THR 7 3.194 -3.560 3.392 74 H LYS 8 H LYS 8 4.238 -7.293 5.435 75 HA LYS 8 HA LYS 8 2.891 -9.943 5.218 76 HB2 LYS 8 1HB LYS 8 3.995 -8.784 7.767 77 HB3 LYS 8 2HB LYS 8 3.686 -10.451 7.374 78 HG2 LYS 8 1HG LYS 8 5.707 -9.460 5.514 79 HG3 LYS 8 2HG LYS 8 6.124 -8.904 7.116 80 HD2 LYS 8 1HD LYS 8 5.728 -11.772 6.188 81 HD3 LYS 8 2HD LYS 8 7.254 -10.925 6.510 82 HE2 LYS 8 1HE LYS 8 6.120 -10.566 8.915 83 HE3 LYS 8 2HE LYS 8 5.181 -11.977 8.390 84 HZ1 LYS 8 3HZ LYS 8 7.056 -12.876 9.446 85 HZ2 LYS 8 1HZ LYS 8 7.486 -12.947 7.867 86 HZ3 LYS 8 2HZ LYS 8 8.092 -11.773 8.829 87 H THR 9 H THR 9 1.745 -7.022 4.857 88 HA THR 9 HA THR 9 -0.610 -7.385 6.608 89 HB THR 9 HB THR 9 -0.640 -4.923 6.904 90 HG1 THR 9 1HG THR 9 0.551 -3.906 5.486 91 HG21 THR 9 3HG2 THR 9 0.473 -6.408 8.614 92 HG22 THR 9 1HG2 THR 9 2.033 -5.997 7.863 93 HG23 THR 9 2HG2 THR 9 1.036 -4.726 8.583 94 H HIS 10 H HIS 10 -0.582 -8.463 4.139 95 HA HIS 10 HA HIS 10 -1.244 -8.315 1.915 96 HB2 HIS 10 1HB HIS 10 -3.741 -7.776 1.919 97 HB3 HIS 10 2HB HIS 10 -3.223 -9.021 3.027 98 HD1 HIS 10 1HD HIS 10 -3.830 -5.240 3.071 99 HD2 HIS 10 2HD HIS 10 -3.848 -8.606 5.566 100 HE1 HIS 10 1HE HIS 10 -4.728 -4.441 5.335 101 HE2 HIS 10 2HE HIS 10 -4.745 -6.564 6.878 102 H GLU 11 H GLU 11 0.452 -6.454 1.886 103 HA GLU 11 HA GLU 11 -0.647 -4.368 0.133 104 HB2 GLU 11 1HB GLU 11 1.045 -3.977 2.632 105 HB3 GLU 11 2HB GLU 11 1.092 -2.816 1.317 106 HG2 GLU 11 1HG GLU 11 -1.196 -2.246 1.624 107 HG3 GLU 11 2HG GLU 11 -1.511 -3.620 2.691 108 H TRP 12 H TRP 12 0.680 -4.038 -1.635 109 HA TRP 12 HA TRP 12 3.261 -5.500 -1.869 110 HB2 TRP 12 1HB TRP 12 3.010 -4.895 -4.287 111 HB3 TRP 12 2HB TRP 12 1.736 -5.936 -3.667 112 HD1 TRP 12 HD TRP 12 -0.668 -5.245 -3.814 113 HE1 TRP 12 1HE TRP 12 -1.959 -3.240 -4.558 114 HE3 TRP 12 3HE TRP 12 3.249 -2.027 -4.683 115 HZ2 TRP 12 2HZ TRP 12 -1.386 -0.718 -5.850 116 HZ3 TRP 12 3HZ TRP 12 2.773 0.239 -5.541 117 HH2 TRP 12 HH TRP 12 0.475 0.894 -6.190 118 H VAL 13 H VAL 13 4.975 -4.083 -3.086 119 HA VAL 13 HA VAL 13 4.621 -1.217 -2.643 120 HB VAL 13 HB VAL 13 7.274 -2.764 -2.103 121 HG11 VAL 13 1HG1 VAL 13 6.579 -0.091 -0.956 122 HG12 VAL 13 2HG1 VAL 13 8.053 -1.007 -0.755 123 HG13 VAL 13 3HG1 VAL 13 7.639 -0.443 -2.363 124 HG21 VAL 13 3HG2 VAL 13 5.822 -3.787 -0.470 125 HG22 VAL 13 1HG2 VAL 13 6.918 -2.683 0.336 126 HG23 VAL 13 2HG2 VAL 13 5.225 -2.217 0.073 127 H SER 14 H SER 14 5.788 0.003 -4.195 128 HA SER 14 HA SER 14 7.094 -1.538 -6.428 129 HB2 SER 14 1HB SER 14 4.609 0.025 -6.357 130 HB3 SER 14 2HB SER 14 5.723 0.540 -7.585 131 HG SER 14 HG SER 14 4.098 -1.295 -7.971 132 H ILE 15 H ILE 15 9.171 -0.808 -5.861 133 HA ILE 15 HA ILE 15 9.627 2.099 -5.641 134 HB ILE 15 HB ILE 15 11.188 -0.351 -4.846 135 HG12 ILE 15 1HG1 ILE 15 10.366 2.127 -3.286 136 HG13 ILE 15 2HG1 ILE 15 9.265 0.775 -3.536 137 HG21 ILE 15 1HG2 ILE 15 12.212 2.542 -4.799 138 HG22 ILE 15 2HG2 ILE 15 13.007 1.149 -4.045 139 HG23 ILE 15 3HG2 ILE 15 12.881 1.228 -5.793 140 HD11 ILE 15 3HD1 ILE 15 10.282 0.650 -1.372 141 HD12 ILE 15 1HD1 ILE 15 10.693 -0.750 -2.364 142 HD13 ILE 15 2HD1 ILE 15 11.900 0.538 -2.114 143 H GLU 16 H GLU 16 9.755 3.040 -7.524 144 HA GLU 16 HA GLU 16 11.104 1.692 -9.787 145 HB2 GLU 16 1HB GLU 16 10.471 3.725 -11.078 146 HB3 GLU 16 2HB GLU 16 9.188 2.730 -10.490 147 HG2 GLU 16 1HG GLU 16 9.180 4.591 -8.487 148 HG3 GLU 16 2HG GLU 16 9.822 5.565 -9.792 149 H ASP 17 H ASP 17 11.520 5.071 -8.548 150 HA ASP 17 HA ASP 17 14.434 4.471 -8.693 151 HB2 ASP 17 1HB ASP 17 13.222 6.379 -10.093 152 HB3 ASP 17 2HB ASP 17 13.445 7.314 -8.640 153 H LYS 18 H LYS 18 12.838 7.016 -6.885 154 HA LYS 18 HA LYS 18 14.052 5.875 -4.379 155 HB2 LYS 18 1HB LYS 18 13.580 8.780 -5.110 156 HB3 LYS 18 2HB LYS 18 14.332 8.186 -3.633 157 HG2 LYS 18 1HG LYS 18 16.224 7.258 -4.857 158 HG3 LYS 18 2HG LYS 18 15.477 7.627 -6.413 159 HD2 LYS 18 1HD LYS 18 17.217 9.224 -5.928 160 HD3 LYS 18 2HD LYS 18 15.635 9.982 -6.072 161 HE2 LYS 18 1HE LYS 18 16.021 9.314 -3.290 162 HE3 LYS 18 2HE LYS 18 17.515 10.046 -3.855 163 HZ1 LYS 18 3HZ LYS 18 14.824 11.222 -4.110 164 HZ2 LYS 18 1HZ LYS 18 15.997 11.693 -3.052 165 HZ3 LYS 18 2HZ LYS 18 16.194 11.906 -4.691 166 H VAL 19 H VAL 19 11.205 5.669 -5.630 167 HA VAL 19 HA VAL 19 9.685 6.543 -3.257 168 HB VAL 19 HB VAL 19 9.034 7.226 -6.161 169 HG11 VAL 19 1HG1 VAL 19 7.039 8.362 -5.300 170 HG12 VAL 19 2HG1 VAL 19 6.994 6.634 -4.894 171 HG13 VAL 19 3HG1 VAL 19 7.415 7.833 -3.655 172 HG21 VAL 19 3HG2 VAL 19 9.075 9.592 -5.362 173 HG22 VAL 19 1HG2 VAL 19 9.668 9.030 -3.779 174 HG23 VAL 19 2HG2 VAL 19 10.657 8.826 -5.239 175 H ALA 20 H ALA 20 8.391 4.931 -2.602 176 HA ALA 20 HA ALA 20 7.682 2.651 -4.430 177 HB1 ALA 20 1HB ALA 20 8.425 2.116 -1.970 178 HB2 ALA 20 2HB ALA 20 6.977 2.971 -1.465 179 HB3 ALA 20 3HB ALA 20 6.847 1.522 -2.497 180 H THR 21 H THR 21 5.648 2.223 -4.755 181 HA THR 21 HA THR 21 3.530 4.076 -3.752 182 HB THR 21 HB THR 21 3.353 2.150 -6.096 183 HG1 THR 21 1HG THR 21 4.108 3.682 -7.317 184 HG21 THR 21 3HG2 THR 21 1.169 2.739 -5.057 185 HG22 THR 21 1HG2 THR 21 1.560 4.462 -5.177 186 HG23 THR 21 2HG2 THR 21 1.320 3.488 -6.643 187 H VAL 22 H VAL 22 1.703 2.943 -2.816 188 HA VAL 22 HA VAL 22 1.859 0.109 -2.081 189 HB VAL 22 HB VAL 22 0.536 1.946 -0.199 190 HG11 VAL 22 1HG1 VAL 22 1.478 0.648 1.614 191 HG12 VAL 22 2HG1 VAL 22 0.305 -0.082 0.567 192 HG13 VAL 22 3HG1 VAL 22 2.032 -0.519 0.407 193 HG21 VAL 22 3HG2 VAL 22 2.460 3.400 -0.459 194 HG22 VAL 22 1HG2 VAL 22 2.446 2.666 1.134 195 HG23 VAL 22 2HG2 VAL 22 3.567 2.085 -0.097 196 H GLY 23 H GLY 23 -0.192 -0.827 -2.389 197 HA2 GLY 23 1HA GLY 23 -2.584 0.839 -2.342 198 HA3 GLY 23 2HA GLY 23 -2.241 0.339 -3.990 199 H ILE 24 H ILE 24 -1.862 -1.296 -1.102 200 HA ILE 24 HA ILE 24 -2.260 -3.190 -0.324 201 HB ILE 24 HB ILE 24 -4.580 -3.905 0.234 202 HG12 ILE 24 1HG1 ILE 24 -5.483 -1.299 -1.031 203 HG13 ILE 24 2HG1 ILE 24 -5.588 -2.858 -1.854 204 HG21 ILE 24 1HG2 ILE 24 -5.056 -1.966 1.720 205 HG22 ILE 24 2HG2 ILE 24 -3.416 -2.574 1.820 206 HG23 ILE 24 3HG2 ILE 24 -3.748 -1.082 0.927 207 HD11 ILE 24 3HD1 ILE 24 -6.724 -3.280 0.734 208 HD12 ILE 24 1HD1 ILE 24 -7.348 -1.742 0.157 209 HD13 ILE 24 2HD1 ILE 24 -7.559 -3.215 -0.817 210 H THR 25 H THR 25 -3.155 -5.594 -0.547 211 HA THR 25 HA THR 25 -2.756 -6.257 -3.395 212 HB THR 25 HB THR 25 -2.463 -8.535 -2.403 213 HG1 THR 25 1HG THR 25 -2.433 -8.754 -0.288 214 HG21 THR 25 3HG2 THR 25 -0.286 -7.934 -1.208 215 HG22 THR 25 1HG2 THR 25 -0.476 -7.291 -2.842 216 HG23 THR 25 2HG2 THR 25 -0.733 -6.241 -1.433 217 H ASN 26 H ASN 26 -4.008 -8.254 -4.182 218 HA ASN 26 HA ASN 26 -6.776 -7.486 -4.235 219 HB2 ASN 26 1HB ASN 26 -5.062 -9.121 -5.798 220 HB3 ASN 26 2HB ASN 26 -6.329 -10.201 -5.200 221 HD21 ASN 26 1HD2 ASN 26 -8.720 -9.375 -5.572 222 HD22 ASN 26 2HD2 ASN 26 -8.881 -8.474 -7.074 223 H HIS 27 H HIS 27 -5.010 -9.967 -2.376 224 HA HIS 27 HA HIS 27 -7.236 -11.288 -1.188 225 HB2 HIS 27 1HB HIS 27 -4.875 -12.038 -1.067 226 HB3 HIS 27 2HB HIS 27 -4.468 -10.631 -0.071 227 HD1 HIS 27 1HD HIS 27 -5.506 -14.177 0.179 228 HD2 HIS 27 2HD HIS 27 -5.681 -10.647 2.498 229 HE1 HIS 27 1HE HIS 27 -5.908 -14.907 2.616 230 HE2 HIS 27 2HE HIS 27 -6.116 -12.704 3.994 231 H ALA 28 H ALA 28 -6.057 -7.989 -0.727 232 HA ALA 28 HA ALA 28 -7.271 -7.701 1.888 233 HB1 ALA 28 1HB ALA 28 -5.240 -6.427 1.082 234 HB2 ALA 28 2HB ALA 28 -6.337 -5.519 0.007 235 HB3 ALA 28 3HB ALA 28 -6.540 -5.439 1.765 236 H GLN 29 H GLN 29 -8.008 -6.388 -1.428 237 HA GLN 29 HA GLN 29 -10.384 -5.130 -0.729 238 HB2 GLN 29 1HB GLN 29 -10.992 -5.093 -3.149 239 HB3 GLN 29 2HB GLN 29 -9.337 -4.638 -2.790 240 HG2 GLN 29 1HG GLN 29 -9.249 -5.794 -4.760 241 HG3 GLN 29 2HG GLN 29 -8.652 -6.915 -3.563 242 HE21 GLN 29 1HE2 GLN 29 -9.693 -8.883 -3.423 243 HE22 GLN 29 2HE2 GLN 29 -11.175 -9.282 -4.299 244 H GLU 30 H GLU 30 -9.902 -8.574 -1.195 245 HA GLU 30 HA GLU 30 -12.437 -9.538 -1.640 246 HB2 GLU 30 1HB GLU 30 -9.859 -10.380 -0.456 247 HB3 GLU 30 2HB GLU 30 -11.219 -11.344 -0.014 248 HG2 GLU 30 1HG GLU 30 -10.323 -10.776 -2.848 249 HG3 GLU 30 2HG GLU 30 -9.989 -12.168 -1.918 250 H GLN 31 H GLN 31 -10.788 -8.853 1.472 251 HA GLN 31 HA GLN 31 -12.817 -9.904 3.129 252 HB2 GLN 31 1HB GLN 31 -10.799 -7.777 3.907 253 HB3 GLN 31 2HB GLN 31 -11.611 -8.913 4.982 254 HG2 GLN 31 1HG GLN 31 -9.555 -9.643 2.847 255 HG3 GLN 31 2HG GLN 31 -9.225 -9.456 4.553 256 HE21 GLN 31 1HE2 GLN 31 -10.168 -11.005 6.078 257 HE22 GLN 31 2HE2 GLN 31 -10.602 -12.625 5.556 258 H LEU 32 H LEU 32 -12.081 -6.542 2.186 259 HA LEU 32 HA LEU 32 -14.223 -5.308 3.697 260 HB2 LEU 32 1HB LEU 32 -12.492 -4.377 1.384 261 HB3 LEU 32 2HB LEU 32 -13.727 -3.380 2.066 262 HG LEU 32 HG LEU 32 -11.150 -3.249 2.767 263 HD11 LEU 32 1HD1 LEU 32 -12.841 -1.620 3.362 264 HD12 LEU 32 2HD1 LEU 32 -13.335 -2.641 4.726 265 HD13 LEU 32 3HD1 LEU 32 -11.729 -1.941 4.697 266 HD21 LEU 32 3HD2 LEU 32 -12.287 -4.965 4.979 267 HD22 LEU 32 1HD2 LEU 32 -10.958 -5.407 3.860 268 HD23 LEU 32 2HD2 LEU 32 -10.738 -4.097 5.006 269 H GLY 33 H GLY 33 -13.794 -6.454 0.334 270 HA2 GLY 33 1HA GLY 33 -15.203 -6.930 -1.331 271 HA3 GLY 33 2HA GLY 33 -16.594 -6.687 -0.284 272 H ASP 34 H ASP 34 -17.761 -4.966 -0.817 273 HA ASP 34 HA ASP 34 -16.779 -2.875 -2.526 274 HB2 ASP 34 1HB ASP 34 -19.336 -3.478 -1.876 275 HB3 ASP 34 2HB ASP 34 -19.062 -2.265 -0.678 276 H VAL 35 H VAL 35 -16.595 -0.641 -1.931 277 HA VAL 35 HA VAL 35 -16.025 -0.062 0.904 278 HB VAL 35 HB VAL 35 -14.227 0.957 -1.334 279 HG11 VAL 35 1HG1 VAL 35 -12.914 1.033 1.188 280 HG12 VAL 35 2HG1 VAL 35 -13.667 2.408 0.363 281 HG13 VAL 35 3HG1 VAL 35 -14.577 1.452 1.554 282 HG21 VAL 35 3HG2 VAL 35 -13.846 -1.443 -1.080 283 HG22 VAL 35 1HG2 VAL 35 -12.492 -0.466 -0.503 284 HG23 VAL 35 2HG2 VAL 35 -13.619 -1.195 0.683 285 H VAL 36 H VAL 36 -15.499 2.556 0.640 286 HA VAL 36 HA VAL 36 -17.565 4.064 -0.697 287 HB VAL 36 HB VAL 36 -18.306 4.801 1.634 288 HG11 VAL 36 1HG1 VAL 36 -20.132 3.197 1.741 289 HG12 VAL 36 2HG1 VAL 36 -19.715 3.356 0.034 290 HG13 VAL 36 3HG1 VAL 36 -19.170 1.930 0.961 291 HG21 VAL 36 3HG2 VAL 36 -18.344 2.982 3.389 292 HG22 VAL 36 1HG2 VAL 36 -16.984 2.266 2.487 293 HG23 VAL 36 2HG2 VAL 36 -16.854 3.888 3.167 294 H TYR 37 H TYR 37 -14.923 3.774 1.691 295 HA TYR 37 HA TYR 37 -13.933 6.443 0.819 296 HB2 TYR 37 1HB TYR 37 -15.497 6.895 2.636 297 HB3 TYR 37 2HB TYR 37 -14.674 5.744 3.680 298 HD1 TYR 37 1HD TYR 37 -13.590 8.676 1.501 299 HD2 TYR 37 2HD TYR 37 -13.452 6.767 5.381 300 HE1 TYR 37 1HE TYR 37 -11.899 10.312 2.245 301 HE2 TYR 37 2HE TYR 37 -11.802 8.444 6.142 302 HH TYR 37 HH TYR 37 -10.003 10.406 4.077 303 H VAL 38 H VAL 38 -11.831 7.060 1.867 304 HA VAL 38 HA VAL 38 -10.084 5.087 2.896 305 HB VAL 38 HB VAL 38 -9.298 4.192 1.014 306 HG11 VAL 38 1HG1 VAL 38 -11.247 4.793 -0.295 307 HG12 VAL 38 2HG1 VAL 38 -10.559 6.401 -0.638 308 HG13 VAL 38 3HG1 VAL 38 -9.801 4.919 -1.279 309 HG21 VAL 38 3HG2 VAL 38 -7.670 5.367 -0.364 310 HG22 VAL 38 1HG2 VAL 38 -8.215 6.926 0.263 311 HG23 VAL 38 2HG2 VAL 38 -7.432 5.750 1.345 312 H ASP 39 H ASP 39 -8.760 5.896 4.029 313 HA ASP 39 HA ASP 39 -8.636 8.783 4.392 314 HB2 ASP 39 1HB ASP 39 -8.836 7.889 6.536 315 HB3 ASP 39 2HB ASP 39 -8.095 6.373 6.093 316 H LEU 40 H LEU 40 -6.683 9.956 4.023 317 HA LEU 40 HA LEU 40 -4.368 8.396 3.083 318 HB2 LEU 40 1HB LEU 40 -5.729 10.610 1.486 319 HB3 LEU 40 2HB LEU 40 -4.091 10.078 1.183 320 HG LEU 40 HG LEU 40 -6.512 8.238 1.055 321 HD11 LEU 40 1HD1 LEU 40 -6.635 9.922 -0.674 322 HD12 LEU 40 2HD1 LEU 40 -4.982 9.560 -1.213 323 HD13 LEU 40 3HD1 LEU 40 -6.281 8.352 -1.375 324 HD21 LEU 40 3HD2 LEU 40 -3.614 7.853 0.172 325 HD22 LEU 40 1HD2 LEU 40 -4.458 6.962 1.472 326 HD23 LEU 40 2HD2 LEU 40 -4.968 6.758 -0.199 327 HA PRO 41 HA PRO 41 -2.318 11.422 5.514 328 HB2 PRO 41 1HB PRO 41 0.272 10.883 4.879 329 HB3 PRO 41 2HB PRO 41 -0.771 9.756 5.776 330 HG2 PRO 41 1HG PRO 41 -0.080 9.718 2.814 331 HG3 PRO 41 2HG PRO 41 -0.181 8.339 3.968 332 HD2 PRO 41 1HD PRO 41 -2.155 9.104 2.203 333 HD3 PRO 41 2HD PRO 41 -2.407 8.150 3.687 334 H GLU 42 H GLU 42 -0.485 13.148 5.206 335 HA GLU 42 HA GLU 42 -1.081 14.821 2.878 336 HB2 GLU 42 1HB GLU 42 -0.890 15.514 5.352 337 HB3 GLU 42 2HB GLU 42 0.848 15.358 5.167 338 HG2 GLU 42 1HG GLU 42 -0.830 17.047 3.265 339 HG3 GLU 42 2HG GLU 42 -0.383 17.648 4.857 340 H VAL 43 H VAL 43 0.830 15.919 1.758 341 HA VAL 43 HA VAL 43 2.294 13.760 0.516 342 HB VAL 43 HB VAL 43 0.876 15.857 -0.400 343 HG11 VAL 43 1HG1 VAL 43 3.662 16.882 -0.968 344 HG12 VAL 43 2HG1 VAL 43 2.105 17.663 -1.255 345 HG13 VAL 43 3HG1 VAL 43 2.723 17.480 0.402 346 HG21 VAL 43 3HG2 VAL 43 3.215 14.690 -1.900 347 HG22 VAL 43 1HG2 VAL 43 1.608 13.936 -1.716 348 HG23 VAL 43 2HG2 VAL 43 1.790 15.457 -2.607 349 H GLY 44 H GLY 44 3.142 14.858 3.070 350 HA2 GLY 44 1HA GLY 44 6.035 14.700 2.704 351 HA3 GLY 44 2HA GLY 44 5.478 16.235 3.389 352 H ARG 45 H ARG 45 3.523 13.502 4.291 353 HA ARG 45 HA ARG 45 4.319 13.846 7.072 354 HB2 ARG 45 1HB ARG 45 2.011 13.385 6.561 355 HB3 ARG 45 2HB ARG 45 2.426 11.910 5.677 356 HG2 ARG 45 1HG ARG 45 3.113 10.787 7.653 357 HG3 ARG 45 2HG ARG 45 3.089 12.274 8.626 358 HD2 ARG 45 1HD ARG 45 0.679 12.365 8.535 359 HD3 ARG 45 2HD ARG 45 0.622 11.001 7.394 360 HE ARG 45 HE ARG 45 2.002 9.906 9.437 361 HH11 ARG 45 2HH2 ARG 45 -1.062 11.800 9.631 362 HH12 ARG 45 1HH2 ARG 45 -1.726 10.714 10.801 363 HH21 ARG 45 2HH1 ARG 45 1.197 8.741 11.113 364 HH22 ARG 45 1HH1 ARG 45 -0.263 9.207 11.945 365 H GLU 46 H GLU 46 6.042 12.776 8.105 366 HA GLU 46 HA GLU 46 7.294 10.435 6.879 367 HB2 GLU 46 1HB GLU 46 7.645 11.997 9.425 368 HB3 GLU 46 2HB GLU 46 8.051 10.283 9.472 369 HG2 GLU 46 1HG GLU 46 9.400 10.718 7.268 370 HG3 GLU 46 2HG GLU 46 9.229 12.413 7.680 371 H VAL 47 H VAL 47 7.150 8.277 7.472 372 HA VAL 47 HA VAL 47 5.160 7.417 9.440 373 HB VAL 47 HB VAL 47 4.021 5.977 7.872 374 HG11 VAL 47 1HG1 VAL 47 2.808 7.572 6.529 375 HG12 VAL 47 2HG1 VAL 47 3.263 8.372 8.044 376 HG13 VAL 47 3HG1 VAL 47 4.145 8.716 6.540 377 HG21 VAL 47 3HG2 VAL 47 5.825 7.085 5.681 378 HG22 VAL 47 1HG2 VAL 47 5.775 5.400 6.264 379 HG23 VAL 47 2HG2 VAL 47 4.387 6.078 5.411 380 H LYS 48 H LYS 48 5.751 5.392 10.350 381 HA LYS 48 HA LYS 48 8.366 4.262 9.568 382 HB2 LYS 48 1HB LYS 48 6.324 3.414 11.657 383 HB3 LYS 48 2HB LYS 48 7.859 2.600 11.376 384 HG2 LYS 48 1HG LYS 48 9.077 4.765 11.798 385 HG3 LYS 48 2HG LYS 48 7.523 5.456 12.319 386 HD2 LYS 48 1HD LYS 48 7.335 3.449 13.901 387 HD3 LYS 48 2HD LYS 48 9.022 3.094 13.548 388 HE2 LYS 48 1HE LYS 48 9.761 5.218 14.408 389 HE3 LYS 48 2HE LYS 48 8.096 5.835 14.435 390 HZ1 LYS 48 3HZ LYS 48 8.705 5.260 16.612 391 HZ2 LYS 48 1HZ LYS 48 7.575 4.182 16.107 392 HZ3 LYS 48 2HZ LYS 48 9.159 3.722 16.201 393 H LYS 49 H LYS 49 8.505 1.896 9.347 394 HA LYS 49 HA LYS 49 6.999 0.814 7.242 395 HB2 LYS 49 1HB LYS 49 8.561 -0.807 7.240 396 HB3 LYS 49 2HB LYS 49 9.398 0.392 8.189 397 HG2 LYS 49 1HG LYS 49 8.184 -2.218 9.025 398 HG3 LYS 49 2HG LYS 49 9.860 -1.734 9.053 399 HD2 LYS 49 1HD LYS 49 9.514 -0.302 10.978 400 HD3 LYS 49 2HD LYS 49 7.751 -0.585 10.920 401 HE2 LYS 49 1HE LYS 49 8.168 -3.053 11.061 402 HE3 LYS 49 2HE LYS 49 9.896 -2.727 11.266 403 HZ1 LYS 49 3HZ LYS 49 7.779 -1.799 13.110 404 HZ2 LYS 49 1HZ LYS 49 8.743 -3.109 13.344 405 HZ3 LYS 49 2HZ LYS 49 9.421 -1.616 13.325 406 H GLY 50 H GLY 50 5.368 1.379 9.710 407 HA2 GLY 50 1HA GLY 50 3.565 -0.783 9.467 408 HA3 GLY 50 2HA GLY 50 4.427 -0.963 11.002 409 H GLU 51 H GLU 51 2.850 1.646 9.025 410 HA GLU 51 HA GLU 51 1.496 2.628 11.457 411 HB2 GLU 51 1HB GLU 51 3.826 3.803 10.245 412 HB3 GLU 51 2HB GLU 51 2.475 4.874 9.914 413 HG2 GLU 51 1HG GLU 51 2.067 5.271 12.198 414 HG3 GLU 51 2HG GLU 51 2.815 3.752 12.711 415 H VAL 52 H VAL 52 -0.517 2.963 11.102 416 HA VAL 52 HA VAL 52 -1.765 2.065 8.758 417 HB VAL 52 HB VAL 52 -2.725 1.062 10.398 418 HG11 VAL 52 1HG1 VAL 52 -1.378 1.744 12.148 419 HG12 VAL 52 2HG1 VAL 52 -2.158 3.361 12.246 420 HG13 VAL 52 3HG1 VAL 52 -3.031 1.892 12.732 421 HG21 VAL 52 3HG2 VAL 52 -4.835 1.903 11.317 422 HG22 VAL 52 1HG2 VAL 52 -4.379 3.559 10.932 423 HG23 VAL 52 2HG2 VAL 52 -4.701 2.407 9.622 424 H VAL 53 H VAL 53 -0.540 4.413 8.045 425 HA VAL 53 HA VAL 53 -2.209 6.697 8.454 426 HB VAL 53 HB VAL 53 -0.577 7.765 6.853 427 HG11 VAL 53 1HG1 VAL 53 -0.269 7.485 9.336 428 HG12 VAL 53 2HG1 VAL 53 0.754 6.082 9.009 429 HG13 VAL 53 3HG1 VAL 53 1.221 7.688 8.413 430 HG21 VAL 53 3HG2 VAL 53 0.952 5.147 6.860 431 HG22 VAL 53 1HG2 VAL 53 -0.246 5.464 5.597 432 HG23 VAL 53 2HG2 VAL 53 1.116 6.553 5.771 433 H ALA 54 H ALA 54 -3.300 4.273 6.641 434 HA ALA 54 HA ALA 54 -4.777 6.094 4.932 435 HB1 ALA 54 1HB ALA 54 -4.288 4.690 2.859 436 HB2 ALA 54 2HB ALA 54 -2.967 5.706 3.450 437 HB3 ALA 54 3HB ALA 54 -2.946 3.961 3.797 438 H SER 55 H SER 55 -5.994 5.118 6.886 439 HA SER 55 HA SER 55 -6.838 2.377 6.849 440 HB2 SER 55 1HB SER 55 -7.312 4.802 8.390 441 HB3 SER 55 2HB SER 55 -8.833 3.943 8.116 442 HG SER 55 HG SER 55 -7.863 2.079 8.958 443 H ILE 56 H ILE 56 -9.117 1.704 6.668 444 HA ILE 56 HA ILE 56 -10.302 2.719 4.126 445 HB ILE 56 HB ILE 56 -9.850 -0.170 4.993 446 HG12 ILE 56 1HG1 ILE 56 -8.224 1.228 2.916 447 HG13 ILE 56 2HG1 ILE 56 -7.611 0.849 4.533 448 HG21 ILE 56 1HG2 ILE 56 -10.616 -0.658 2.693 449 HG22 ILE 56 2HG2 ILE 56 -11.808 0.350 3.508 450 HG23 ILE 56 3HG2 ILE 56 -10.684 1.084 2.373 451 HD11 ILE 56 3HD1 ILE 56 -8.519 -1.241 2.533 452 HD12 ILE 56 1HD1 ILE 56 -6.868 -0.827 2.944 453 HD13 ILE 56 2HD1 ILE 56 -7.911 -1.531 4.184 454 H GLU 57 H GLU 57 -12.436 3.340 4.658 455 HA GLU 57 HA GLU 57 -13.892 1.508 6.522 456 HB2 GLU 57 1HB GLU 57 -14.065 4.468 6.263 457 HB3 GLU 57 2HB GLU 57 -15.607 3.629 5.989 458 HG2 GLU 57 1HG GLU 57 -14.714 2.339 8.195 459 HG3 GLU 57 2HG GLU 57 -14.254 4.027 8.532 460 H SER 58 H SER 58 -15.295 0.234 5.665 461 HA SER 58 HA SER 58 -16.141 0.505 2.832 462 HB2 SER 58 1HB SER 58 -14.972 -1.501 2.720 463 HB3 SER 58 2HB SER 58 -15.210 -1.690 4.438 464 HG SER 58 HG SER 58 -16.323 -3.101 2.699 465 H VAL 59 H VAL 59 -17.955 -1.459 3.138 466 HA VAL 59 HA VAL 59 -20.392 0.008 3.925 467 HB VAL 59 HB VAL 59 -21.489 -2.065 3.011 468 HG11 VAL 59 1HG1 VAL 59 -21.089 -1.480 0.670 469 HG12 VAL 59 2HG1 VAL 59 -21.139 -0.006 1.655 470 HG13 VAL 59 3HG1 VAL 59 -19.584 -0.641 1.100 471 HG21 VAL 59 3HG2 VAL 59 -20.267 -3.638 1.682 472 HG22 VAL 59 1HG2 VAL 59 -18.732 -2.791 1.934 473 HG23 VAL 59 2HG2 VAL 59 -19.517 -3.632 3.292 474 H LYS 60 H LYS 60 -18.324 -2.563 5.241 475 HA LYS 60 HA LYS 60 -19.528 -1.995 7.792 476 HB2 LYS 60 1HB LYS 60 -20.979 -3.903 6.730 477 HB3 LYS 60 2HB LYS 60 -19.625 -4.950 7.116 478 HG2 LYS 60 1HG LYS 60 -20.260 -5.051 9.292 479 HG3 LYS 60 2HG LYS 60 -20.218 -3.303 9.460 480 HD2 LYS 60 1HD LYS 60 -22.553 -4.893 8.364 481 HD3 LYS 60 2HD LYS 60 -22.431 -4.232 10.003 482 HE2 LYS 60 1HE LYS 60 -22.485 -1.971 9.255 483 HE3 LYS 60 2HE LYS 60 -22.110 -2.420 7.598 484 HZ1 LYS 60 3HZ LYS 60 -24.658 -2.998 8.948 485 HZ2 LYS 60 1HZ LYS 60 -24.370 -1.852 7.809 486 HZ3 LYS 60 2HZ LYS 60 -24.265 -3.411 7.376 487 H ALA 61 H ALA 61 -16.756 -2.345 6.183 488 HA ALA 61 HA ALA 61 -15.401 -3.532 8.578 489 HB1 ALA 61 1HB ALA 61 -13.501 -3.727 6.762 490 HB2 ALA 61 2HB ALA 61 -14.765 -4.958 6.961 491 HB3 ALA 61 3HB ALA 61 -14.891 -3.793 5.637 492 H ALA 62 H ALA 62 -13.460 -2.529 9.196 493 HA ALA 62 HA ALA 62 -12.886 0.171 8.224 494 HB1 ALA 62 1HB ALA 62 -14.456 0.718 9.932 495 HB2 ALA 62 2HB ALA 62 -13.701 -0.398 11.088 496 HB3 ALA 62 3HB ALA 62 -12.822 1.059 10.530 497 H ALA 63 H ALA 63 -10.873 -0.334 7.596 498 HA ALA 63 HA ALA 63 -9.179 -2.119 9.279 499 HB1 ALA 63 1HB ALA 63 -10.219 -3.347 7.382 500 HB2 ALA 63 2HB ALA 63 -9.494 -2.200 6.245 501 HB3 ALA 63 3HB ALA 63 -8.456 -3.262 7.233 502 H ASP 64 H ASP 64 -6.847 -2.126 8.223 503 HA ASP 64 HA ASP 64 -5.929 0.661 8.292 504 HB2 ASP 64 1HB ASP 64 -4.069 -1.320 9.288 505 HB3 ASP 64 2HB ASP 64 -4.750 0.055 10.091 506 H VAL 65 H VAL 65 -4.319 1.251 6.762 507 HA VAL 65 HA VAL 65 -3.023 -0.878 5.176 508 HB VAL 65 HB VAL 65 -3.538 2.052 4.704 509 HG11 VAL 65 1HG1 VAL 65 -2.109 0.305 2.694 510 HG12 VAL 65 2HG1 VAL 65 -2.298 2.082 2.720 511 HG13 VAL 65 3HG1 VAL 65 -1.223 1.313 3.853 512 HG21 VAL 65 3HG2 VAL 65 -5.433 0.593 4.234 513 HG22 VAL 65 1HG2 VAL 65 -4.783 1.171 2.705 514 HG23 VAL 65 2HG2 VAL 65 -4.415 -0.482 3.273 515 H TYR 66 H TYR 66 -0.923 -1.268 6.076 516 HA TYR 66 HA TYR 66 0.102 0.819 7.930 517 HB2 TYR 66 1HB TYR 66 0.820 -2.133 7.671 518 HB3 TYR 66 2HB TYR 66 1.540 -0.995 8.790 519 HD1 TYR 66 1HD TYR 66 0.235 -0.099 10.718 520 HD2 TYR 66 2HD TYR 66 -1.297 -3.124 8.053 521 HE1 TYR 66 1HE TYR 66 -1.341 -0.832 12.476 522 HE2 TYR 66 2HE TYR 66 -2.845 -3.909 9.806 523 HH TYR 66 HH TYR 66 -3.300 -2.129 12.830 524 H ALA 67 H ALA 67 1.488 2.104 6.754 525 HA ALA 67 HA ALA 67 2.669 1.752 4.342 526 HB1 ALA 67 1HB ALA 67 3.926 3.176 6.726 527 HB2 ALA 67 2HB ALA 67 4.428 3.392 5.028 528 HB3 ALA 67 3HB ALA 67 2.801 3.875 5.548 529 HA PRO 68 HA PRO 68 5.155 -1.644 4.579 530 HB2 PRO 68 1HB PRO 68 6.751 -1.501 2.364 531 HB3 PRO 68 2HB PRO 68 4.971 -1.533 2.257 532 HG2 PRO 68 1HG PRO 68 6.783 0.929 2.261 533 HG3 PRO 68 2HG PRO 68 5.509 0.512 1.075 534 HD2 PRO 68 1HD PRO 68 4.933 2.161 3.097 535 HD3 PRO 68 2HD PRO 68 3.781 0.907 2.607 536 H LEU 69 H LEU 69 7.091 1.259 4.592 537 HA LEU 69 HA LEU 69 9.595 0.062 5.630 538 HB2 LEU 69 1HB LEU 69 9.099 1.554 3.051 539 HB3 LEU 69 2HB LEU 69 10.689 1.482 3.797 540 HG LEU 69 HG LEU 69 9.228 -1.094 3.159 541 HD11 LEU 69 1HD1 LEU 69 8.896 0.291 1.199 542 HD12 LEU 69 2HD1 LEU 69 10.632 0.630 1.101 543 HD13 LEU 69 3HD1 LEU 69 10.010 -1.031 0.852 544 HD21 LEU 69 3HD2 LEU 69 12.161 -0.265 3.210 545 HD22 LEU 69 1HD2 LEU 69 11.319 -1.346 4.323 546 HD23 LEU 69 2HD2 LEU 69 11.603 -1.849 2.650 547 H SER 70 H SER 70 10.732 1.807 6.768 548 HA SER 70 HA SER 70 9.082 4.067 7.477 549 HB2 SER 70 1HB SER 70 12.006 3.506 8.009 550 HB3 SER 70 2HB SER 70 11.011 4.725 8.833 551 HG SER 70 HG SER 70 11.056 1.946 8.985 552 H GLY 71 H GLY 71 8.965 6.015 6.549 553 HA2 GLY 71 1HA GLY 71 10.874 7.208 4.809 554 HA3 GLY 71 2HA GLY 71 9.658 6.348 3.863 555 H LYS 72 H LYS 72 9.172 8.548 3.053 556 HA LYS 72 HA LYS 72 7.293 9.957 4.863 557 HB2 LYS 72 1HB LYS 72 9.500 11.051 5.103 558 HB3 LYS 72 2HB LYS 72 9.603 11.257 3.377 559 HG2 LYS 72 1HG LYS 72 7.379 12.600 3.592 560 HG3 LYS 72 2HG LYS 72 7.700 12.594 5.328 561 HD2 LYS 72 1HD LYS 72 9.609 13.687 3.213 562 HD3 LYS 72 2HD LYS 72 8.389 14.635 4.028 563 HE2 LYS 72 1HE LYS 72 10.304 15.156 5.184 564 HE3 LYS 72 2HE LYS 72 9.459 14.049 6.255 565 HZ1 LYS 72 3HZ LYS 72 11.913 13.703 5.977 566 HZ2 LYS 72 1HZ LYS 72 11.061 12.346 5.691 567 HZ3 LYS 72 2HZ LYS 72 11.673 13.235 4.447 568 H ILE 73 H ILE 73 5.468 10.554 3.839 569 HA ILE 73 HA ILE 73 4.824 9.470 1.275 570 HB ILE 73 HB ILE 73 3.472 11.670 2.827 571 HG12 ILE 73 1HG1 ILE 73 3.471 10.032 4.484 572 HG13 ILE 73 2HG1 ILE 73 1.959 9.811 3.707 573 HG21 ILE 73 1HG2 ILE 73 1.398 10.950 1.730 574 HG22 ILE 73 2HG2 ILE 73 2.584 11.351 0.517 575 HG23 ILE 73 3HG2 ILE 73 2.261 9.647 0.882 576 HD11 ILE 73 3HD1 ILE 73 2.741 7.632 4.017 577 HD12 ILE 73 1HD1 ILE 73 3.159 7.968 2.326 578 HD13 ILE 73 2HD1 ILE 73 4.408 8.057 3.581 579 H VAL 74 H VAL 74 4.626 10.526 -0.753 580 HA VAL 74 HA VAL 74 5.222 13.370 -0.899 581 HB VAL 74 HB VAL 74 6.974 13.067 -2.682 582 HG11 VAL 74 1HG1 VAL 74 7.912 11.749 -0.121 583 HG12 VAL 74 2HG1 VAL 74 8.870 12.640 -1.316 584 HG13 VAL 74 3HG1 VAL 74 7.672 13.497 -0.338 585 HG21 VAL 74 3HG2 VAL 74 6.950 10.130 -1.877 586 HG22 VAL 74 1HG2 VAL 74 6.460 10.796 -3.447 587 HG23 VAL 74 2HG2 VAL 74 8.144 10.907 -2.927 588 H GLU 75 H GLU 75 3.207 10.824 -1.925 589 HA GLU 75 HA GLU 75 2.039 12.766 -3.730 590 HB2 GLU 75 1HB GLU 75 3.705 10.923 -4.944 591 HB3 GLU 75 2HB GLU 75 2.176 10.049 -4.959 592 HG2 GLU 75 1HG GLU 75 1.109 11.782 -6.251 593 HG3 GLU 75 2HG GLU 75 2.479 12.883 -5.984 594 H VAL 76 H VAL 76 -0.302 12.234 -4.009 595 HA VAL 76 HA VAL 76 -1.257 9.770 -2.675 596 HB VAL 76 HB VAL 76 -3.076 10.869 -1.589 597 HG11 VAL 76 1HG1 VAL 76 -1.966 12.099 0.152 598 HG12 VAL 76 2HG1 VAL 76 -0.923 10.757 -0.332 599 HG13 VAL 76 3HG1 VAL 76 -0.543 12.407 -0.864 600 HG21 VAL 76 3HG2 VAL 76 -3.380 13.285 -1.532 601 HG22 VAL 76 1HG2 VAL 76 -1.970 13.511 -2.600 602 HG23 VAL 76 2HG2 VAL 76 -3.433 12.713 -3.203 603 H ASN 77 H ASN 77 -3.391 9.057 -3.499 604 HA ASN 77 HA ASN 77 -3.548 9.677 -6.387 605 HB2 ASN 77 1HB ASN 77 -3.163 7.341 -5.502 606 HB3 ASN 77 2HB ASN 77 -4.775 7.369 -4.852 607 HD21 ASN 77 1HD2 ASN 77 -4.890 5.476 -6.291 608 HD22 ASN 77 2HD2 ASN 77 -5.257 5.596 -7.988 609 H GLU 78 H GLU 78 -4.736 11.680 -6.117 610 HA GLU 78 HA GLU 78 -7.190 11.961 -4.741 611 HB2 GLU 78 1HB GLU 78 -5.816 13.395 -7.013 612 HB3 GLU 78 2HB GLU 78 -7.448 13.867 -6.591 613 HG2 GLU 78 1HG GLU 78 -5.634 13.687 -4.236 614 HG3 GLU 78 2HG GLU 78 -5.137 14.863 -5.451 615 H LYS 79 H LYS 79 -6.732 9.889 -7.283 616 HA LYS 79 HA LYS 79 -9.358 9.843 -8.528 617 HB2 LYS 79 1HB LYS 79 -7.291 7.707 -7.889 618 HB3 LYS 79 2HB LYS 79 -8.824 7.305 -8.627 619 HG2 LYS 79 1HG LYS 79 -8.277 8.980 -10.452 620 HG3 LYS 79 2HG LYS 79 -6.679 9.143 -9.725 621 HD2 LYS 79 1HD LYS 79 -6.234 7.570 -11.329 622 HD3 LYS 79 2HD LYS 79 -6.561 6.525 -9.971 623 HE2 LYS 79 1HE LYS 79 -7.643 5.700 -12.010 624 HE3 LYS 79 2HE LYS 79 -8.877 6.144 -10.829 625 HZ1 LYS 79 3HZ LYS 79 -9.453 8.007 -12.059 626 HZ2 LYS 79 1HZ LYS 79 -8.046 8.045 -12.926 627 HZ3 LYS 79 2HZ LYS 79 -9.218 6.883 -13.185 628 H LEU 80 H LEU 80 -7.970 8.421 -5.561 629 HA LEU 80 HA LEU 80 -10.116 6.665 -5.037 630 HB2 LEU 80 1HB LEU 80 -7.821 7.751 -3.384 631 HB3 LEU 80 2HB LEU 80 -8.963 6.643 -2.705 632 HG LEU 80 HG LEU 80 -6.644 5.883 -3.877 633 HD11 LEU 80 1HD1 LEU 80 -7.934 4.446 -2.526 634 HD12 LEU 80 2HD1 LEU 80 -9.252 4.366 -3.725 635 HD13 LEU 80 3HD1 LEU 80 -7.654 3.610 -4.049 636 HD21 LEU 80 3HD2 LEU 80 -7.295 6.433 -6.174 637 HD22 LEU 80 1HD2 LEU 80 -7.064 4.700 -5.977 638 HD23 LEU 80 2HD2 LEU 80 -8.705 5.358 -6.082 639 H ASP 81 H ASP 81 -9.663 10.004 -4.132 640 HA ASP 81 HA ASP 81 -11.544 10.266 -2.068 641 HB2 ASP 81 1HB ASP 81 -9.845 11.931 -3.083 642 HB3 ASP 81 2HB ASP 81 -11.049 12.270 -4.306 643 H THR 82 H THR 82 -11.994 9.684 -5.464 644 HA THR 82 HA THR 82 -14.938 10.171 -5.311 645 HB THR 82 HB THR 82 -14.800 10.919 -7.663 646 HG1 THR 82 1HG THR 82 -12.130 10.227 -7.333 647 HG21 THR 82 3HG2 THR 82 -12.905 12.529 -5.880 648 HG22 THR 82 1HG2 THR 82 -13.900 13.127 -7.214 649 HG23 THR 82 2HG2 THR 82 -14.673 12.539 -5.734 650 H GLU 83 H GLU 83 -12.387 7.987 -6.178 651 HA GLU 83 HA GLU 83 -14.338 5.945 -7.109 652 HB2 GLU 83 1HB GLU 83 -11.656 6.806 -8.170 653 HB3 GLU 83 2HB GLU 83 -12.339 5.237 -8.609 654 HG2 GLU 83 1HG GLU 83 -13.923 7.773 -9.137 655 HG3 GLU 83 2HG GLU 83 -12.641 7.275 -10.215 656 HA PRO 84 HA PRO 84 -11.627 4.415 -3.590 657 HB2 PRO 84 1HB PRO 84 -13.678 3.697 -1.869 658 HB3 PRO 84 2HB PRO 84 -12.890 5.315 -1.901 659 HG2 PRO 84 1HG PRO 84 -15.515 4.466 -3.067 660 HG3 PRO 84 2HG PRO 84 -15.087 6.006 -2.286 661 HD2 PRO 84 1HD PRO 84 -15.241 5.611 -5.024 662 HD3 PRO 84 2HD PRO 84 -14.214 6.867 -4.292 663 H GLU 85 H GLU 85 -13.916 3.323 -5.790 664 HA GLU 85 HA GLU 85 -14.034 0.555 -4.942 665 HB2 GLU 85 1HB GLU 85 -15.955 1.779 -5.637 666 HB3 GLU 85 2HB GLU 85 -15.276 2.166 -7.205 667 HG2 GLU 85 1HG GLU 85 -15.367 -0.726 -6.805 668 HG3 GLU 85 2HG GLU 85 -16.918 -0.036 -6.390 669 H LEU 86 H LEU 86 -11.740 2.310 -6.687 670 HA LEU 86 HA LEU 86 -11.257 0.310 -8.807 671 HB2 LEU 86 1HB LEU 86 -10.111 2.981 -8.056 672 HB3 LEU 86 2HB LEU 86 -8.937 1.797 -8.575 673 HG LEU 86 HG LEU 86 -11.214 3.031 -10.131 674 HD11 LEU 86 1HD1 LEU 86 -8.265 2.536 -10.676 675 HD12 LEU 86 2HD1 LEU 86 -9.375 3.488 -11.692 676 HD13 LEU 86 3HD1 LEU 86 -8.955 4.055 -10.063 677 HD21 LEU 86 3HD2 LEU 86 -10.510 1.444 -12.025 678 HD22 LEU 86 1HD2 LEU 86 -9.801 0.423 -10.788 679 HD23 LEU 86 2HD2 LEU 86 -11.553 0.741 -10.748 680 H ILE 87 H ILE 87 -10.281 0.876 -5.511 681 HA ILE 87 HA ILE 87 -8.170 -0.988 -5.390 682 HB ILE 87 HB ILE 87 -10.324 -0.315 -3.374 683 HG12 ILE 87 1HG1 ILE 87 -7.489 0.590 -2.987 684 HG13 ILE 87 2HG1 ILE 87 -8.320 1.378 -4.309 685 HG21 ILE 87 1HG2 ILE 87 -8.696 -1.145 -1.683 686 HG22 ILE 87 2HG2 ILE 87 -9.329 -2.417 -2.692 687 HG23 ILE 87 3HG2 ILE 87 -7.685 -1.771 -2.994 688 HD11 ILE 87 3HD1 ILE 87 -9.781 1.099 -1.699 689 HD12 ILE 87 1HD1 ILE 87 -8.515 2.328 -1.831 690 HD13 ILE 87 2HD1 ILE 87 -9.936 2.346 -2.911 691 H ASN 88 H ASN 88 -11.699 -1.605 -5.884 692 HA ASN 88 HA ASN 88 -11.285 -4.522 -5.596 693 HB2 ASN 88 1HB ASN 88 -13.415 -2.808 -6.952 694 HB3 ASN 88 2HB ASN 88 -13.262 -4.533 -7.196 695 HD21 ASN 88 1HD2 ASN 88 -13.296 -2.545 -4.162 696 HD22 ASN 88 2HD2 ASN 88 -14.334 -3.677 -3.323 697 H LYS 89 H LYS 89 -11.575 -2.193 -8.261 698 HA LYS 89 HA LYS 89 -11.577 -4.142 -10.272 699 HB2 LYS 89 1HB LYS 89 -11.870 -1.310 -10.049 700 HB3 LYS 89 2HB LYS 89 -10.733 -1.545 -11.308 701 HG2 LYS 89 1HG LYS 89 -13.311 -3.177 -11.170 702 HG3 LYS 89 2HG LYS 89 -13.339 -1.542 -11.772 703 HD2 LYS 89 1HD LYS 89 -11.390 -3.500 -12.997 704 HD3 LYS 89 2HD LYS 89 -13.102 -3.660 -13.379 705 HE2 LYS 89 1HE LYS 89 -11.405 -1.178 -13.858 706 HE3 LYS 89 2HE LYS 89 -11.943 -2.332 -15.083 707 HZ1 LYS 89 3HZ LYS 89 -13.565 -0.411 -13.553 708 HZ2 LYS 89 1HZ LYS 89 -13.440 -0.516 -15.146 709 HZ3 LYS 89 2HZ LYS 89 -14.289 -1.668 -14.309 710 H ASP 90 H ASP 90 -8.854 -2.374 -8.899 711 HA ASP 90 HA ASP 90 -7.008 -4.320 -9.807 712 HB2 ASP 90 1HB ASP 90 -7.381 -2.089 -11.654 713 HB3 ASP 90 2HB ASP 90 -5.805 -2.001 -11.055 714 HA PRO 91 HA PRO 91 -6.282 -1.599 -6.060 715 HB2 PRO 91 1HB PRO 91 -5.068 -3.598 -4.540 716 HB3 PRO 91 2HB PRO 91 -6.773 -3.165 -4.473 717 HG2 PRO 91 1HG PRO 91 -5.461 -5.451 -5.894 718 HG3 PRO 91 2HG PRO 91 -7.062 -5.392 -5.118 719 HD2 PRO 91 1HD PRO 91 -6.676 -5.243 -7.841 720 HD3 PRO 91 2HD PRO 91 -8.051 -4.462 -7.028 721 H GLU 92 H GLU 92 -4.264 -3.923 -7.766 722 HA GLU 92 HA GLU 92 -1.810 -2.574 -6.909 723 HB2 GLU 92 1HB GLU 92 -1.702 -5.045 -8.498 724 HB3 GLU 92 2HB GLU 92 -0.759 -4.533 -7.110 725 HG2 GLU 92 1HG GLU 92 -2.682 -5.098 -5.608 726 HG3 GLU 92 2HG GLU 92 -3.562 -5.714 -7.005 727 H GLY 93 H GLY 93 -3.912 -2.398 -9.475 728 HA2 GLY 93 1HA GLY 93 -1.813 -1.719 -11.486 729 HA3 GLY 93 2HA GLY 93 -3.536 -1.912 -11.804 730 H GLU 94 H GLU 94 -4.996 -0.289 -10.616 731 HA GLU 94 HA GLU 94 -3.836 2.412 -10.938 732 HB2 GLU 94 1HB GLU 94 -6.404 1.036 -11.716 733 HB3 GLU 94 2HB GLU 94 -6.275 2.776 -11.747 734 HG2 GLU 94 1HG GLU 94 -4.150 1.245 -13.035 735 HG3 GLU 94 2HG GLU 94 -5.709 1.181 -13.785 736 H GLY 95 H GLY 95 -5.609 0.392 -8.697 737 HA2 GLY 95 1HA GLY 95 -6.913 2.478 -7.194 738 HA3 GLY 95 2HA GLY 95 -6.770 0.783 -6.792 739 H TRP 96 H TRP 96 -3.861 2.799 -7.231 740 HA TRP 96 HA TRP 96 -2.919 2.019 -4.629 741 HB2 TRP 96 1HB TRP 96 -1.013 3.443 -5.065 742 HB3 TRP 96 2HB TRP 96 -1.335 2.408 -6.421 743 HD1 TRP 96 HD TRP 96 -2.453 3.609 -8.639 744 HE1 TRP 96 1HE TRP 96 -2.157 5.969 -9.557 745 HE3 TRP 96 3HE TRP 96 -0.622 5.952 -4.444 746 HZ2 TRP 96 2HZ TRP 96 -1.376 8.562 -8.606 747 HZ3 TRP 96 3HZ TRP 96 -0.221 8.455 -4.497 748 HH2 TRP 96 HH TRP 96 -0.513 9.699 -6.589 749 H LEU 97 H LEU 97 -2.200 3.473 -2.919 750 HA LEU 97 HA LEU 97 -4.489 5.251 -2.248 751 HB2 LEU 97 1HB LEU 97 -2.430 3.986 -0.436 752 HB3 LEU 97 2HB LEU 97 -3.813 4.862 0.087 753 HG LEU 97 HG LEU 97 -4.527 2.572 -1.666 754 HD11 LEU 97 1HD1 LEU 97 -2.374 1.767 -0.487 755 HD12 LEU 97 2HD1 LEU 97 -3.355 1.771 0.969 756 HD13 LEU 97 3HD1 LEU 97 -3.855 0.771 -0.399 757 HD21 LEU 97 3HD2 LEU 97 -5.190 3.130 1.305 758 HD22 LEU 97 1HD2 LEU 97 -6.133 3.746 -0.073 759 HD23 LEU 97 2HD2 LEU 97 -6.031 2.004 0.229 760 H PHE 98 H PHE 98 -0.992 5.146 -1.467 761 HA PHE 98 HA PHE 98 -0.605 7.894 -2.407 762 HB2 PHE 98 1HB PHE 98 0.456 8.605 -0.328 763 HB3 PHE 98 2HB PHE 98 -1.204 8.147 -0.037 764 HD1 PHE 98 1HD PHE 98 2.343 6.954 0.235 765 HD2 PHE 98 2HD PHE 98 -1.710 6.434 1.600 766 HE1 PHE 98 1HE PHE 98 3.117 5.292 1.891 767 HE2 PHE 98 2HE PHE 98 -0.889 4.820 3.329 768 HZ PHE 98 HZ PHE 98 1.502 4.230 3.445 769 H LYS 99 H LYS 99 1.779 8.455 -2.355 770 HA LYS 99 HA LYS 99 3.559 6.081 -2.734 771 HB2 LYS 99 1HB LYS 99 3.893 8.815 -4.020 772 HB3 LYS 99 2HB LYS 99 4.913 7.424 -4.224 773 HG2 LYS 99 1HG LYS 99 2.999 6.219 -5.345 774 HG3 LYS 99 2HG LYS 99 2.071 7.707 -5.211 775 HD2 LYS 99 1HD LYS 99 2.864 7.816 -7.373 776 HD3 LYS 99 2HD LYS 99 3.996 8.857 -6.496 777 HE2 LYS 99 1HE LYS 99 5.541 6.801 -6.340 778 HE3 LYS 99 2HE LYS 99 4.417 5.993 -7.433 779 HZ1 LYS 99 3HZ LYS 99 4.837 7.862 -8.990 780 HZ2 LYS 99 1HZ LYS 99 6.070 8.357 -8.034 781 HZ3 LYS 99 2HZ LYS 99 6.121 6.843 -8.735 782 H MET 100 H MET 100 5.704 6.393 -1.972 783 HA MET 100 HA MET 100 6.198 8.747 -0.269 784 HB2 MET 100 1HB MET 100 6.906 7.253 1.581 785 HB3 MET 100 2HB MET 100 5.161 7.358 1.354 786 HG2 MET 100 1HG MET 100 5.079 5.207 0.231 787 HG3 MET 100 2HG MET 100 6.820 5.063 0.302 788 HE1 MET 100 3HE MET 100 7.197 4.932 4.355 789 HE2 MET 100 1HE MET 100 7.992 5.462 2.836 790 HE3 MET 100 2HE MET 100 6.763 6.467 3.615 791 H GLU 101 H GLU 101 8.308 9.159 0.104 792 HA GLU 101 HA GLU 101 10.323 8.072 -1.652 793 HB2 GLU 101 1HB GLU 101 10.157 10.481 -0.819 794 HB3 GLU 101 2HB GLU 101 10.555 9.876 0.793 795 HG2 GLU 101 1HG GLU 101 12.665 8.845 -0.452 796 HG3 GLU 101 2HG GLU 101 12.247 9.958 -1.734 797 H ILE 102 H ILE 102 11.890 6.573 -1.024 798 HA ILE 102 HA ILE 102 11.457 5.068 1.469 799 HB ILE 102 HB ILE 102 13.459 3.765 0.614 800 HG12 ILE 102 1HG1 ILE 102 12.911 5.162 -2.015 801 HG13 ILE 102 2HG1 ILE 102 14.317 5.487 -0.992 802 HG21 ILE 102 1HG2 ILE 102 11.087 3.051 0.481 803 HG22 ILE 102 2HG2 ILE 102 10.962 3.801 -1.129 804 HG23 ILE 102 3HG2 ILE 102 12.058 2.430 -0.848 805 HD11 ILE 102 3HD1 ILE 102 13.628 2.889 -2.426 806 HD12 ILE 102 1HD1 ILE 102 14.959 3.995 -2.775 807 HD13 ILE 102 2HD1 ILE 102 14.964 3.062 -1.263 808 H SER 103 H SER 103 13.169 4.780 3.011 809 HA SER 103 HA SER 103 15.021 7.106 3.127 810 HB2 SER 103 1HB SER 103 12.729 7.142 4.394 811 HB3 SER 103 2HB SER 103 13.601 6.158 5.585 812 HG SER 103 HG SER 103 14.280 8.733 4.522 813 H ASP 104 H ASP 104 14.636 3.730 3.492 814 HA ASP 104 HA ASP 104 17.471 3.511 3.852 815 HB2 ASP 104 1HB ASP 104 15.797 3.048 6.193 816 HB3 ASP 104 2HB ASP 104 16.423 1.521 5.661 817 H GLU 105 H GLU 105 17.927 2.158 2.145 818 HA GLU 105 HA GLU 105 15.802 0.638 0.913 819 HB2 GLU 105 1HB GLU 105 16.916 2.035 -0.552 820 HB3 GLU 105 2HB GLU 105 18.465 1.865 0.278 821 HG2 GLU 105 1HG GLU 105 18.888 -0.238 -0.603 822 HG3 GLU 105 2HG GLU 105 17.270 -0.355 -1.342 823 H GLY 106 H GLY 106 18.391 0.274 3.008 824 HA2 GLY 106 1HA GLY 106 19.254 -2.436 2.636 825 HA3 GLY 106 2HA GLY 106 19.312 -1.553 4.176 826 H GLU 107 H GLU 107 16.376 -1.068 4.144 827 HA GLU 107 HA GLU 107 15.476 -3.583 5.332 828 HB2 GLU 107 1HB GLU 107 14.568 -0.719 5.201 829 HB3 GLU 107 2HB GLU 107 13.300 -1.925 5.346 830 HG2 GLU 107 1HG GLU 107 13.976 -1.114 7.513 831 HG3 GLU 107 2HG GLU 107 14.220 -2.854 7.346 832 H LEU 108 H LEU 108 15.532 -2.513 2.057 833 HA LEU 108 HA LEU 108 12.817 -3.288 1.398 834 HB2 LEU 108 1HB LEU 108 15.227 -3.315 -0.397 835 HB3 LEU 108 2HB LEU 108 13.556 -3.437 -0.919 836 HG LEU 108 HG LEU 108 15.081 -1.054 0.011 837 HD11 LEU 108 1HD1 LEU 108 13.334 -1.566 -2.384 838 HD12 LEU 108 2HD1 LEU 108 14.310 -0.077 -2.014 839 HD13 LEU 108 3HD1 LEU 108 15.129 -1.608 -2.285 840 HD21 LEU 108 3HD2 LEU 108 13.042 0.313 -0.004 841 HD22 LEU 108 1HD2 LEU 108 12.090 -1.207 -0.000 842 HD23 LEU 108 2HD2 LEU 108 13.204 -0.790 1.345 843 H GLU 109 H GLU 109 15.941 -5.032 1.449 844 HA GLU 109 HA GLU 109 14.919 -7.402 0.163 845 HB2 GLU 109 1HB GLU 109 17.327 -7.038 1.981 846 HB3 GLU 109 2HB GLU 109 17.043 -8.432 0.938 847 HG2 GLU 109 1HG GLU 109 17.404 -5.581 -0.094 848 HG3 GLU 109 2HG GLU 109 18.707 -6.752 0.077 849 H ASP 110 H ASP 110 14.584 -6.163 3.345 850 HA ASP 110 HA ASP 110 14.207 -8.647 4.794 851 HB2 ASP 110 1HB ASP 110 14.928 -6.395 5.749 852 HB3 ASP 110 2HB ASP 110 13.279 -5.831 5.484 853 H LEU 111 H LEU 111 12.349 -6.846 2.584 854 HA LEU 111 HA LEU 111 9.656 -7.778 3.468 855 HB2 LEU 111 1HB LEU 111 10.620 -6.276 1.004 856 HB3 LEU 111 2HB LEU 111 8.963 -6.474 1.481 857 HG LEU 111 HG LEU 111 11.067 -4.847 2.966 858 HD11 LEU 111 1HD1 LEU 111 8.929 -4.175 0.947 859 HD12 LEU 111 2HD1 LEU 111 9.474 -2.994 2.139 860 HD13 LEU 111 3HD1 LEU 111 10.622 -3.723 0.997 861 HD21 LEU 111 3HD2 LEU 111 9.687 -5.469 4.689 862 HD22 LEU 111 1HD2 LEU 111 8.854 -4.014 4.127 863 HD23 LEU 111 2HD2 LEU 111 8.244 -5.632 3.697 864 H LEU 112 H LEU 112 8.300 -8.659 1.642 865 HA LEU 112 HA LEU 112 9.582 -11.226 1.029 866 HB2 LEU 112 1HB LEU 112 6.720 -10.316 0.688 867 HB3 LEU 112 2HB LEU 112 7.270 -11.979 0.694 868 HG LEU 112 HG LEU 112 7.469 -10.110 3.115 869 HD11 LEU 112 1HD1 LEU 112 5.192 -10.419 2.346 870 HD12 LEU 112 2HD1 LEU 112 5.357 -12.184 2.485 871 HD13 LEU 112 3HD1 LEU 112 5.474 -11.139 3.928 872 HD21 LEU 112 3HD2 LEU 112 7.663 -12.190 4.414 873 HD22 LEU 112 1HD2 LEU 112 7.675 -13.147 2.913 874 HD23 LEU 112 2HD2 LEU 112 9.012 -12.032 3.273 875 H ASP 113 H ASP 113 9.509 -12.212 -1.059 876 HA ASP 113 HA ASP 113 9.412 -10.578 -3.458 877 HB2 ASP 113 1HB ASP 113 9.187 -13.607 -3.085 878 HB3 ASP 113 2HB ASP 113 9.344 -12.790 -4.627 879 H GLU 114 H GLU 114 7.672 -11.424 -5.246 880 HA GLU 114 HA GLU 114 4.998 -10.873 -4.227 881 HB2 GLU 114 1HB GLU 114 5.696 -10.073 -6.434 882 HB3 GLU 114 2HB GLU 114 5.969 -11.716 -6.991 883 HG2 GLU 114 1HG GLU 114 3.704 -12.234 -7.119 884 HG3 GLU 114 2HG GLU 114 3.265 -11.063 -5.872 885 H GLN 115 H GLN 115 6.782 -13.698 -5.597 886 HA GLN 115 HA GLN 115 4.737 -15.651 -5.189 887 HB2 GLN 115 1HB GLN 115 6.454 -16.031 -6.784 888 HB3 GLN 115 2HB GLN 115 7.721 -15.554 -5.649 889 HG2 GLN 115 1HG GLN 115 7.808 -17.885 -6.104 890 HG3 GLN 115 2HG GLN 115 7.531 -17.536 -4.400 891 HE21 GLN 115 1HE2 GLN 115 5.152 -17.879 -7.183 892 HE22 GLN 115 2HE2 GLN 115 4.252 -19.123 -6.345 893 H ALA 116 H ALA 116 7.358 -14.394 -3.093 894 HA ALA 116 HA ALA 116 6.918 -16.362 -1.040 895 HB1 ALA 116 1HB ALA 116 8.100 -13.571 -0.779 896 HB2 ALA 116 2HB ALA 116 8.269 -14.889 0.385 897 HB3 ALA 116 3HB ALA 116 9.023 -15.037 -1.205 898 H TYR 117 H TYR 117 5.571 -13.125 -1.687 899 HA TYR 117 HA TYR 117 3.993 -12.924 0.692 900 HB2 TYR 117 1HB TYR 117 4.373 -10.989 -0.489 901 HB3 TYR 117 2HB TYR 117 3.986 -11.675 -2.058 902 HD1 TYR 117 2HD TYR 117 2.431 -10.675 1.210 903 HD2 TYR 117 1HD TYR 117 1.829 -11.551 -2.984 904 HE1 TYR 117 2HE TYR 117 0.030 -10.150 1.441 905 HE2 TYR 117 1HE TYR 117 -0.561 -11.000 -2.768 906 HH TYR 117 HH TYR 117 -2.268 -10.662 -1.250 907 H GLN 118 H GLN 118 3.336 -14.456 -2.473 908 HA GLN 118 HA GLN 118 0.629 -15.107 -2.032 909 HB2 GLN 118 1HB GLN 118 0.945 -15.871 -4.068 910 HB3 GLN 118 2HB GLN 118 2.693 -15.899 -3.881 911 HG2 GLN 118 1HG GLN 118 2.710 -18.165 -3.161 912 HG3 GLN 118 2HG GLN 118 0.949 -18.189 -2.953 913 HE21 GLN 118 1HE2 GLN 118 0.531 -19.906 -4.430 914 HE22 GLN 118 2HE2 GLN 118 0.786 -19.746 -6.146 915 H GLU 119 H GLU 119 3.568 -17.037 -0.942 916 HA GLU 119 HA GLU 119 2.054 -18.984 0.300 917 HB2 GLU 119 1HB GLU 119 4.375 -19.313 -0.221 918 HB3 GLU 119 2HB GLU 119 4.876 -17.898 0.732 919 HG2 GLU 119 1HG GLU 119 4.111 -18.910 2.767 920 HG3 GLU 119 2HG GLU 119 3.485 -20.320 1.883 921 H PHE 120 H PHE 120 3.167 -15.766 1.437 922 HA PHE 120 HA PHE 120 2.422 -16.141 4.162 923 HB2 PHE 120 1HB PHE 120 3.940 -14.357 3.253 924 HB3 PHE 120 2HB PHE 120 2.515 -13.507 2.661 925 HD1 PHE 120 1HD PHE 120 3.945 -15.020 5.824 926 HD2 PHE 120 2HD PHE 120 1.369 -12.012 4.096 927 HE1 PHE 120 1HE PHE 120 3.446 -14.143 8.070 928 HE2 PHE 120 2HE PHE 120 0.787 -11.237 6.371 929 HZ PHE 120 HZ PHE 120 1.832 -12.279 8.368 930 H CYS 121 H CYS 121 0.489 -15.371 1.308 931 HA CYS 121 HA CYS 121 -1.943 -14.841 2.893 932 HB2 CYS 121 1HB CYS 121 -1.368 -15.104 -0.083 933 HB3 CYS 121 2HB CYS 121 -3.016 -14.994 0.577 934 HG CYS 121 HG CYS 121 -0.466 -12.950 0.927 935 H ALA 122 H ALA 122 -0.291 -17.722 2.214 936 HA ALA 122 HA ALA 122 -2.770 -19.359 2.022 937 HB1 ALA 122 1HB ALA 122 -1.277 -21.192 1.601 938 HB2 ALA 122 2HB ALA 122 -0.782 -19.852 0.544 939 HB3 ALA 122 3HB ALA 122 0.140 -20.213 2.033 940 H GLN 123 H GLN 123 -0.931 -17.869 4.408 941 HA GLN 123 HA GLN 123 -1.634 -19.878 6.435 942 HB2 GLN 123 1HB GLN 123 0.386 -19.084 7.652 943 HB3 GLN 123 2HB GLN 123 0.720 -19.934 6.159 944 HG2 GLN 123 1HG GLN 123 1.063 -17.679 5.058 945 HG3 GLN 123 2HG GLN 123 0.885 -16.928 6.633 946 HE21 GLN 123 1HE2 GLN 123 2.759 -19.731 5.172 947 HE22 GLN 123 2HE2 GLN 123 4.262 -19.280 5.917 948 H GLU 124 H GLU 124 -3.190 -17.682 5.230 949 HA GLU 124 HA GLU 124 -3.642 -15.886 7.530 950 HB2 GLU 124 1HB GLU 124 -2.335 -14.843 5.579 951 HB3 GLU 124 2HB GLU 124 -3.746 -15.156 4.566 952 HG2 GLU 124 1HG GLU 124 -4.129 -12.972 5.147 953 HG3 GLU 124 2HG GLU 124 -5.041 -13.768 6.425 Start of MODEL 8 1 H1 MET 1 H MET 1 16.123 -0.611 -6.701 2 HA MET 1 HA MET 1 15.375 1.158 -8.316 3 HB2 MET 1 1HB MET 1 17.098 -0.555 -10.162 4 HB3 MET 1 2HB MET 1 15.991 0.710 -10.706 5 HG2 MET 1 1HG MET 1 17.291 2.434 -9.645 6 HG3 MET 1 2HG MET 1 18.316 1.249 -8.825 7 HE1 MET 1 3HE MET 1 20.371 2.550 -9.578 8 HE2 MET 1 1HE MET 1 20.819 2.909 -11.258 9 HE3 MET 1 2HE MET 1 19.418 3.722 -10.517 10 H LYS 2 H LYS 2 13.545 0.696 -9.685 11 HA LYS 2 HA LYS 2 11.567 -0.481 -10.030 12 HB2 LYS 2 1HB LYS 2 13.016 -0.292 -12.068 13 HB3 LYS 2 2HB LYS 2 13.592 -1.935 -11.757 14 HG2 LYS 2 1HG LYS 2 11.067 -2.606 -11.794 15 HG3 LYS 2 2HG LYS 2 10.778 -1.008 -12.460 16 HD2 LYS 2 1HD LYS 2 12.191 -1.514 -14.397 17 HD3 LYS 2 2HD LYS 2 12.678 -3.055 -13.672 18 HE2 LYS 2 1HE LYS 2 11.016 -3.702 -15.193 19 HE3 LYS 2 2HE LYS 2 10.198 -3.684 -13.637 20 HZ1 LYS 2 3HZ LYS 2 9.903 -1.854 -15.900 21 HZ2 LYS 2 1HZ LYS 2 8.756 -2.582 -14.981 22 HZ3 LYS 2 2HZ LYS 2 9.566 -1.284 -14.388 23 H MET 3 H MET 3 11.129 -1.521 -7.901 24 HA MET 3 HA MET 3 11.448 -4.446 -7.967 25 HB2 MET 3 1HB MET 3 13.461 -3.516 -6.822 26 HB3 MET 3 2HB MET 3 12.408 -2.633 -5.702 27 HG2 MET 3 1HG MET 3 11.434 -4.781 -4.990 28 HG3 MET 3 2HG MET 3 12.611 -5.642 -5.996 29 HE1 MET 3 3HE MET 3 15.956 -4.463 -4.027 30 HE2 MET 3 1HE MET 3 15.363 -5.141 -5.558 31 HE3 MET 3 2HE MET 3 15.162 -3.406 -5.207 32 H LYS 4 H LYS 4 9.812 -5.457 -6.671 33 HA LYS 4 HA LYS 4 7.942 -3.705 -5.217 34 HB2 LYS 4 1HB LYS 4 6.756 -3.697 -7.118 35 HB3 LYS 4 2HB LYS 4 7.275 -5.244 -7.684 36 HG2 LYS 4 1HG LYS 4 5.451 -5.075 -5.260 37 HG3 LYS 4 2HG LYS 4 4.793 -4.727 -6.844 38 HD2 LYS 4 1HD LYS 4 5.939 -7.370 -5.887 39 HD3 LYS 4 2HD LYS 4 4.274 -6.937 -6.189 40 HE2 LYS 4 1HE LYS 4 4.783 -8.206 -8.030 41 HE3 LYS 4 2HE LYS 4 4.912 -6.560 -8.644 42 HZ1 LYS 4 3HZ LYS 4 7.339 -6.787 -8.389 43 HZ2 LYS 4 1HZ LYS 4 7.145 -8.322 -7.814 44 HZ3 LYS 4 2HZ LYS 4 6.741 -7.962 -9.360 45 H LYS 5 H LYS 5 8.031 -4.420 -3.244 46 HA LYS 5 HA LYS 5 8.002 -7.335 -2.743 47 HB2 LYS 5 1HB LYS 5 9.571 -5.183 -1.285 48 HB3 LYS 5 2HB LYS 5 9.102 -6.684 -0.460 49 HG2 LYS 5 1HG LYS 5 10.042 -7.963 -2.448 50 HG3 LYS 5 2HG LYS 5 10.832 -6.466 -2.956 51 HD2 LYS 5 1HD LYS 5 12.167 -6.481 -0.926 52 HD3 LYS 5 2HD LYS 5 11.200 -7.821 -0.241 53 HE2 LYS 5 1HE LYS 5 11.887 -9.207 -2.259 54 HE3 LYS 5 2HE LYS 5 13.005 -7.917 -2.701 55 HZ1 LYS 5 3HZ LYS 5 13.118 -9.555 -0.222 56 HZ2 LYS 5 1HZ LYS 5 14.070 -9.659 -1.532 57 HZ3 LYS 5 2HZ LYS 5 14.163 -8.313 -0.603 58 H TYR 6 H TYR 6 7.185 -7.588 -0.264 59 HA TYR 6 HA TYR 6 4.567 -6.166 -0.156 60 HB2 TYR 6 1HB TYR 6 4.980 -9.169 0.102 61 HB3 TYR 6 2HB TYR 6 3.463 -8.312 0.003 62 HD1 TYR 6 2HD TYR 6 6.335 -9.648 -1.900 63 HD2 TYR 6 1HD TYR 6 2.547 -7.597 -2.151 64 HE1 TYR 6 2HE TYR 6 6.181 -10.243 -4.295 65 HE2 TYR 6 1HE TYR 6 2.361 -8.208 -4.530 66 HH TYR 6 HH TYR 6 3.212 -9.510 -6.207 67 H THR 7 H THR 7 3.434 -6.542 1.958 68 HA THR 7 HA THR 7 5.212 -7.489 4.128 69 HB THR 7 HB THR 7 3.630 -6.191 5.592 70 HG1 THR 7 1HG THR 7 2.207 -4.797 4.619 71 HG21 THR 7 3HG2 THR 7 5.165 -4.555 3.504 72 HG22 THR 7 1HG2 THR 7 4.497 -3.901 5.024 73 HG23 THR 7 2HG2 THR 7 5.773 -5.122 5.072 74 H LYS 8 H LYS 8 3.818 -8.069 5.936 75 HA LYS 8 HA LYS 8 1.875 -10.141 5.523 76 HB2 LYS 8 1HB LYS 8 1.501 -9.695 8.092 77 HB3 LYS 8 2HB LYS 8 2.965 -10.411 7.390 78 HG2 LYS 8 1HG LYS 8 4.215 -8.585 7.595 79 HG3 LYS 8 2HG LYS 8 2.879 -7.525 8.161 80 HD2 LYS 8 1HD LYS 8 4.214 -8.132 10.059 81 HD3 LYS 8 2HD LYS 8 2.714 -9.075 10.197 82 HE2 LYS 8 1HE LYS 8 3.869 -11.066 9.261 83 HE3 LYS 8 2HE LYS 8 5.319 -10.101 8.953 84 HZ1 LYS 8 3HZ LYS 8 4.268 -11.037 11.519 85 HZ2 LYS 8 1HZ LYS 8 5.782 -11.189 10.882 86 HZ3 LYS 8 2HZ LYS 8 5.291 -9.732 11.457 87 H THR 9 H THR 9 1.515 -6.614 5.731 88 HA THR 9 HA THR 9 -1.218 -6.791 6.689 89 HB THR 9 HB THR 9 -1.032 -4.289 6.570 90 HG1 THR 9 1HG THR 9 0.557 -3.488 5.472 91 HG21 THR 9 3HG2 THR 9 -0.457 -5.498 8.605 92 HG22 THR 9 1HG2 THR 9 1.198 -5.799 8.028 93 HG23 THR 9 2HG2 THR 9 0.678 -4.161 8.372 94 H HIS 10 H HIS 10 -0.568 -8.060 4.034 95 HA HIS 10 HA HIS 10 -1.393 -8.247 1.956 96 HB2 HIS 10 1HB HIS 10 -3.946 -7.037 3.031 97 HB3 HIS 10 2HB HIS 10 -3.704 -8.224 1.722 98 HD1 HIS 10 1HD HIS 10 -2.616 -10.679 2.536 99 HD2 HIS 10 2HD HIS 10 -4.331 -8.094 5.424 100 HE1 HIS 10 1HE HIS 10 -3.003 -12.071 4.619 101 HE2 HIS 10 2HE HIS 10 -4.153 -10.556 6.364 102 H GLU 11 H GLU 11 0.305 -6.482 1.844 103 HA GLU 11 HA GLU 11 -0.669 -4.107 0.416 104 HB2 GLU 11 1HB GLU 11 0.549 -4.433 3.087 105 HB3 GLU 11 2HB GLU 11 1.501 -3.396 2.074 106 HG2 GLU 11 1HG GLU 11 -0.691 -2.091 1.629 107 HG3 GLU 11 2HG GLU 11 -1.422 -3.124 2.857 108 H TRP 12 H TRP 12 0.827 -3.290 -1.082 109 HA TRP 12 HA TRP 12 3.293 -4.854 -1.598 110 HB2 TRP 12 1HB TRP 12 2.916 -4.552 -4.015 111 HB3 TRP 12 2HB TRP 12 1.721 -5.593 -3.269 112 HD1 TRP 12 HD TRP 12 -0.762 -4.913 -3.408 113 HE1 TRP 12 1HE TRP 12 -2.108 -3.106 -4.594 114 HE3 TRP 12 3HE TRP 12 3.081 -1.837 -4.890 115 HZ2 TRP 12 2HZ TRP 12 -1.596 -0.852 -6.259 116 HZ3 TRP 12 3HZ TRP 12 2.541 0.168 -6.264 117 HH2 TRP 12 HH TRP 12 0.266 0.637 -6.998 118 H VAL 13 H VAL 13 4.938 -3.712 -2.578 119 HA VAL 13 HA VAL 13 4.887 -0.732 -2.346 120 HB VAL 13 HB VAL 13 7.368 -2.540 -2.287 121 HG11 VAL 13 1HG1 VAL 13 7.721 -0.212 -2.531 122 HG12 VAL 13 2HG1 VAL 13 6.789 0.174 -1.056 123 HG13 VAL 13 3HG1 VAL 13 8.331 -0.723 -0.982 124 HG21 VAL 13 3HG2 VAL 13 7.399 -2.568 0.169 125 HG22 VAL 13 1HG2 VAL 13 5.771 -1.860 0.197 126 HG23 VAL 13 2HG2 VAL 13 6.038 -3.483 -0.433 127 H SER 14 H SER 14 5.833 0.329 -4.180 128 HA SER 14 HA SER 14 6.791 -1.294 -6.518 129 HB2 SER 14 1HB SER 14 4.485 0.455 -6.095 130 HB3 SER 14 2HB SER 14 5.397 0.910 -7.516 131 HG SER 14 HG SER 14 5.175 -1.167 -8.304 132 H ILE 15 H ILE 15 8.843 -0.717 -5.672 133 HA ILE 15 HA ILE 15 9.788 2.028 -5.384 134 HB ILE 15 HB ILE 15 11.225 -0.648 -5.500 135 HG12 ILE 15 1HG1 ILE 15 11.252 -0.032 -2.827 136 HG13 ILE 15 2HG1 ILE 15 9.672 0.514 -3.264 137 HG21 ILE 15 1HG2 ILE 15 13.013 0.403 -4.282 138 HG22 ILE 15 2HG2 ILE 15 12.686 1.366 -5.728 139 HG23 ILE 15 3HG2 ILE 15 12.084 1.898 -4.130 140 HD11 ILE 15 3HD1 ILE 15 9.827 -1.881 -2.450 141 HD12 ILE 15 1HD1 ILE 15 9.020 -1.698 -4.017 142 HD13 ILE 15 2HD1 ILE 15 10.701 -2.277 -3.934 143 H GLU 16 H GLU 16 10.740 3.155 -7.112 144 HA GLU 16 HA GLU 16 11.248 1.610 -9.625 145 HB2 GLU 16 1HB GLU 16 10.453 3.541 -10.920 146 HB3 GLU 16 2HB GLU 16 9.242 2.572 -10.093 147 HG2 GLU 16 1HG GLU 16 8.938 4.276 -8.387 148 HG3 GLU 16 2HG GLU 16 10.249 5.258 -9.061 149 H ASP 17 H ASP 17 11.942 4.832 -8.212 150 HA ASP 17 HA ASP 17 14.802 4.315 -8.799 151 HB2 ASP 17 1HB ASP 17 13.340 6.299 -10.147 152 HB3 ASP 17 2HB ASP 17 14.141 7.201 -8.896 153 H LYS 18 H LYS 18 13.020 6.954 -7.176 154 HA LYS 18 HA LYS 18 14.260 6.137 -4.573 155 HB2 LYS 18 1HB LYS 18 13.767 8.963 -5.516 156 HB3 LYS 18 2HB LYS 18 14.575 8.467 -4.035 157 HG2 LYS 18 1HG LYS 18 16.437 7.490 -5.257 158 HG3 LYS 18 2HG LYS 18 15.677 7.821 -6.810 159 HD2 LYS 18 1HD LYS 18 16.483 9.855 -6.925 160 HD3 LYS 18 2HD LYS 18 15.807 10.324 -5.370 161 HE2 LYS 18 1HE LYS 18 18.361 8.666 -5.577 162 HE3 LYS 18 2HE LYS 18 18.367 10.420 -5.742 163 HZ1 LYS 18 3HZ LYS 18 17.579 8.922 -3.314 164 HZ2 LYS 18 1HZ LYS 18 18.789 9.993 -3.528 165 HZ3 LYS 18 2HZ LYS 18 17.218 10.498 -3.542 166 H VAL 19 H VAL 19 11.356 6.110 -6.015 167 HA VAL 19 HA VAL 19 9.904 6.852 -3.542 168 HB VAL 19 HB VAL 19 9.115 7.587 -6.383 169 HG11 VAL 19 1HG1 VAL 19 7.069 8.597 -5.380 170 HG12 VAL 19 2HG1 VAL 19 7.104 6.844 -5.189 171 HG13 VAL 19 3HG1 VAL 19 7.501 7.903 -3.809 172 HG21 VAL 19 3HG2 VAL 19 9.628 9.323 -3.918 173 HG22 VAL 19 1HG2 VAL 19 10.643 9.247 -5.381 174 HG23 VAL 19 2HG2 VAL 19 9.010 9.912 -5.475 175 H ALA 20 H ALA 20 8.456 5.274 -2.970 176 HA ALA 20 HA ALA 20 7.967 3.060 -4.892 177 HB1 ALA 20 1HB ALA 20 8.841 2.346 -2.624 178 HB2 ALA 20 2HB ALA 20 7.319 3.006 -1.937 179 HB3 ALA 20 3HB ALA 20 7.275 1.689 -3.124 180 H THR 21 H THR 21 5.888 2.772 -5.527 181 HA THR 21 HA THR 21 3.724 4.450 -4.360 182 HB THR 21 HB THR 21 3.541 2.152 -6.341 183 HG1 THR 21 1HG THR 21 4.630 4.007 -7.182 184 HG21 THR 21 3HG2 THR 21 1.424 2.518 -5.171 185 HG22 THR 21 1HG2 THR 21 1.496 4.252 -5.566 186 HG23 THR 21 2HG2 THR 21 1.316 3.040 -6.852 187 H VAL 22 H VAL 22 2.298 3.604 -2.861 188 HA VAL 22 HA VAL 22 2.669 0.898 -1.727 189 HB VAL 22 HB VAL 22 1.675 3.540 -0.549 190 HG11 VAL 22 1HG1 VAL 22 2.214 1.060 1.077 191 HG12 VAL 22 2HG1 VAL 22 1.326 2.510 1.522 192 HG13 VAL 22 3HG1 VAL 22 0.606 1.364 0.412 193 HG21 VAL 22 3HG2 VAL 22 3.656 3.326 0.954 194 HG22 VAL 22 1HG2 VAL 22 4.222 1.950 -0.014 195 HG23 VAL 22 2HG2 VAL 22 4.111 3.572 -0.737 196 H GLY 23 H GLY 23 0.903 -0.424 -2.027 197 HA2 GLY 23 1HA GLY 23 -1.794 0.732 -2.020 198 HA3 GLY 23 2HA GLY 23 -1.392 -0.206 -3.424 199 H ILE 24 H ILE 24 -3.404 -1.223 -1.970 200 HA ILE 24 HA ILE 24 -2.323 -3.281 -0.141 201 HB ILE 24 HB ILE 24 -4.717 -3.873 0.179 202 HG12 ILE 24 1HG1 ILE 24 -5.317 -1.087 -0.854 203 HG13 ILE 24 2HG1 ILE 24 -5.537 -2.511 -1.877 204 HG21 ILE 24 1HG2 ILE 24 -5.010 -2.107 1.888 205 HG22 ILE 24 2HG2 ILE 24 -3.347 -2.664 1.818 206 HG23 ILE 24 3HG2 ILE 24 -3.801 -1.120 1.065 207 HD11 ILE 24 3HD1 ILE 24 -7.479 -1.491 -0.344 208 HD12 ILE 24 1HD1 ILE 24 -7.396 -3.221 -0.732 209 HD13 ILE 24 2HD1 ILE 24 -6.831 -2.614 0.835 210 H THR 25 H THR 25 -2.780 -5.558 -0.559 211 HA THR 25 HA THR 25 -2.665 -6.148 -3.430 212 HB THR 25 HB THR 25 -2.271 -8.464 -2.670 213 HG1 THR 25 1HG THR 25 -1.883 -8.858 -0.554 214 HG21 THR 25 3HG2 THR 25 -0.024 -8.018 -1.594 215 HG22 THR 25 1HG2 THR 25 -0.327 -7.111 -3.077 216 HG23 THR 25 2HG2 THR 25 -0.473 -6.313 -1.491 217 H ASN 26 H ASN 26 -3.924 -8.066 -4.233 218 HA ASN 26 HA ASN 26 -6.698 -7.453 -4.134 219 HB2 ASN 26 1HB ASN 26 -5.000 -9.077 -5.699 220 HB3 ASN 26 2HB ASN 26 -6.139 -10.213 -5.006 221 HD21 ASN 26 1HD2 ASN 26 -8.580 -9.647 -5.325 222 HD22 ASN 26 2HD2 ASN 26 -8.952 -8.696 -6.758 223 H HIS 27 H HIS 27 -4.935 -9.583 -1.987 224 HA HIS 27 HA HIS 27 -7.183 -10.984 -0.887 225 HB2 HIS 27 1HB HIS 27 -4.827 -11.547 -0.393 226 HB3 HIS 27 2HB HIS 27 -4.641 -10.036 0.504 227 HD1 HIS 27 1HD HIS 27 -6.237 -13.538 0.813 228 HD2 HIS 27 2HD HIS 27 -6.035 -9.867 2.935 229 HE1 HIS 27 1HE HIS 27 -7.211 -13.955 3.102 230 HE2 HIS 27 2HE HIS 27 -7.076 -11.776 4.414 231 H ALA 28 H ALA 28 -6.146 -7.599 -0.517 232 HA ALA 28 HA ALA 28 -7.543 -7.168 1.954 233 HB1 ALA 28 1HB ALA 28 -6.630 -5.249 -0.199 234 HB2 ALA 28 2HB ALA 28 -6.961 -4.853 1.504 235 HB3 ALA 28 3HB ALA 28 -5.581 -5.880 1.098 236 H GLN 29 H GLN 29 -8.250 -6.436 -1.488 237 HA GLN 29 HA GLN 29 -10.772 -5.211 -1.009 238 HB2 GLN 29 1HB GLN 29 -11.056 -5.177 -3.373 239 HB3 GLN 29 2HB GLN 29 -9.379 -4.904 -3.004 240 HG2 GLN 29 1HG GLN 29 -9.561 -6.173 -4.968 241 HG3 GLN 29 2HG GLN 29 -8.794 -7.118 -3.729 242 HE21 GLN 29 1HE2 GLN 29 -9.705 -9.158 -3.297 243 HE22 GLN 29 2HE2 GLN 29 -11.250 -9.675 -3.973 244 H GLU 30 H GLU 30 -9.885 -8.653 -1.138 245 HA GLU 30 HA GLU 30 -12.331 -9.757 -1.773 246 HB2 GLU 30 1HB GLU 30 -10.441 -11.054 -2.077 247 HB3 GLU 30 2HB GLU 30 -9.596 -10.407 -0.718 248 HG2 GLU 30 1HG GLU 30 -11.064 -11.621 0.793 249 HG3 GLU 30 2HG GLU 30 -11.819 -12.372 -0.621 250 H GLN 31 H GLN 31 -10.710 -9.037 1.276 251 HA GLN 31 HA GLN 31 -12.849 -10.019 2.924 252 HB2 GLN 31 1HB GLN 31 -10.642 -8.047 3.659 253 HB3 GLN 31 2HB GLN 31 -11.702 -8.892 4.792 254 HG2 GLN 31 1HG GLN 31 -9.669 -10.179 2.921 255 HG3 GLN 31 2HG GLN 31 -9.528 -9.982 4.663 256 HE21 GLN 31 1HE2 GLN 31 -9.832 -12.472 2.610 257 HE22 GLN 31 2HE2 GLN 31 -10.955 -13.440 3.497 258 H LEU 32 H LEU 32 -11.968 -6.585 2.094 259 HA LEU 32 HA LEU 32 -14.239 -5.617 3.627 260 HB2 LEU 32 1HB LEU 32 -12.586 -4.119 1.572 261 HB3 LEU 32 2HB LEU 32 -13.760 -3.446 2.675 262 HG LEU 32 HG LEU 32 -11.022 -4.522 3.285 263 HD11 LEU 32 1HD1 LEU 32 -12.442 -1.990 4.244 264 HD12 LEU 32 2HD1 LEU 32 -10.734 -2.364 4.387 265 HD13 LEU 32 3HD1 LEU 32 -11.426 -2.072 2.786 266 HD21 LEU 32 3HD2 LEU 32 -13.216 -4.149 5.341 267 HD22 LEU 32 1HD2 LEU 32 -12.307 -5.638 5.010 268 HD23 LEU 32 2HD2 LEU 32 -11.488 -4.258 5.738 269 H GLY 33 H GLY 33 -13.786 -6.403 0.133 270 HA2 GLY 33 1HA GLY 33 -15.414 -6.749 -1.432 271 HA3 GLY 33 2HA GLY 33 -16.658 -6.422 -0.216 272 H ASP 34 H ASP 34 -17.865 -4.817 -1.021 273 HA ASP 34 HA ASP 34 -17.019 -2.518 -2.581 274 HB2 ASP 34 1HB ASP 34 -19.457 -2.975 -0.779 275 HB3 ASP 34 2HB ASP 34 -19.173 -1.528 -1.720 276 H VAL 35 H VAL 35 -16.572 -0.444 -1.773 277 HA VAL 35 HA VAL 35 -16.204 -0.148 1.131 278 HB VAL 35 HB VAL 35 -14.416 0.880 -1.136 279 HG11 VAL 35 1HG1 VAL 35 -13.444 0.782 1.739 280 HG12 VAL 35 2HG1 VAL 35 -13.100 1.984 0.486 281 HG13 VAL 35 3HG1 VAL 35 -14.580 2.015 1.486 282 HG21 VAL 35 3HG2 VAL 35 -13.858 -1.246 0.980 283 HG22 VAL 35 1HG2 VAL 35 -14.154 -1.548 -0.724 284 HG23 VAL 35 2HG2 VAL 35 -12.723 -0.619 -0.245 285 H VAL 36 H VAL 36 -15.478 2.677 0.285 286 HA VAL 36 HA VAL 36 -17.662 4.212 -0.446 287 HB VAL 36 HB VAL 36 -18.119 4.996 1.981 288 HG11 VAL 36 1HG1 VAL 36 -20.193 4.067 2.044 289 HG12 VAL 36 2HG1 VAL 36 -19.783 3.862 0.348 290 HG13 VAL 36 3HG1 VAL 36 -19.654 2.477 1.447 291 HG21 VAL 36 3HG2 VAL 36 -16.909 3.903 3.468 292 HG22 VAL 36 1HG2 VAL 36 -18.392 2.952 3.576 293 HG23 VAL 36 2HG2 VAL 36 -16.995 2.351 2.642 294 H TYR 37 H TYR 37 -14.820 3.793 1.913 295 HA TYR 37 HA TYR 37 -13.878 6.377 0.893 296 HB2 TYR 37 1HB TYR 37 -15.338 6.917 2.796 297 HB3 TYR 37 2HB TYR 37 -14.413 5.820 3.826 298 HD1 TYR 37 1HD TYR 37 -13.698 8.610 1.371 299 HD2 TYR 37 2HD TYR 37 -12.834 6.863 5.237 300 HE1 TYR 37 1HE TYR 37 -12.025 10.364 1.767 301 HE2 TYR 37 2HE TYR 37 -11.131 8.636 5.633 302 HH TYR 37 HH TYR 37 -10.245 10.716 4.833 303 H VAL 38 H VAL 38 -11.714 6.905 1.398 304 HA VAL 38 HA VAL 38 -10.071 5.078 2.871 305 HB VAL 38 HB VAL 38 -9.002 3.992 1.267 306 HG11 VAL 38 1HG1 VAL 38 -9.711 4.055 -1.122 307 HG12 VAL 38 2HG1 VAL 38 -11.039 3.845 -0.001 308 HG13 VAL 38 3HG1 VAL 38 -10.749 5.431 -0.762 309 HG21 VAL 38 3HG2 VAL 38 -7.614 4.995 -0.480 310 HG22 VAL 38 1HG2 VAL 38 -8.405 6.563 -0.246 311 HG23 VAL 38 2HG2 VAL 38 -7.393 5.859 1.023 312 H ASP 39 H ASP 39 -8.573 5.927 3.838 313 HA ASP 39 HA ASP 39 -8.385 8.834 3.900 314 HB2 ASP 39 1HB ASP 39 -8.770 8.005 6.202 315 HB3 ASP 39 2HB ASP 39 -7.997 6.510 5.828 316 H LEU 40 H LEU 40 -6.341 9.838 3.904 317 HA LEU 40 HA LEU 40 -4.096 8.251 2.872 318 HB2 LEU 40 1HB LEU 40 -5.374 10.602 1.386 319 HB3 LEU 40 2HB LEU 40 -3.763 10.015 1.070 320 HG LEU 40 HG LEU 40 -5.075 9.160 -0.600 321 HD11 LEU 40 1HD1 LEU 40 -3.481 7.531 0.203 322 HD12 LEU 40 2HD1 LEU 40 -4.747 6.775 1.174 323 HD13 LEU 40 3HD1 LEU 40 -4.898 6.810 -0.579 324 HD21 LEU 40 3HD2 LEU 40 -7.193 9.644 0.257 325 HD22 LEU 40 1HD2 LEU 40 -7.012 8.198 -0.742 326 HD23 LEU 40 2HD2 LEU 40 -7.192 8.069 1.039 327 HA PRO 41 HA PRO 41 -2.046 11.246 5.347 328 HB2 PRO 41 1HB PRO 41 0.558 10.949 4.422 329 HB3 PRO 41 2HB PRO 41 -0.294 9.863 5.542 330 HG2 PRO 41 1HG PRO 41 0.257 9.433 2.622 331 HG3 PRO 41 2HG PRO 41 0.042 8.247 3.933 332 HD2 PRO 41 1HD PRO 41 -1.843 9.004 2.006 333 HD3 PRO 41 2HD PRO 41 -2.134 8.067 3.496 334 H GLU 42 H GLU 42 -0.237 13.063 5.168 335 HA GLU 42 HA GLU 42 -0.928 14.871 2.961 336 HB2 GLU 42 1HB GLU 42 -0.729 15.505 5.502 337 HB3 GLU 42 2HB GLU 42 1.005 15.503 5.202 338 HG2 GLU 42 1HG GLU 42 -0.251 16.923 3.013 339 HG3 GLU 42 2HG GLU 42 -1.029 17.453 4.502 340 H VAL 43 H VAL 43 0.745 15.829 1.660 341 HA VAL 43 HA VAL 43 2.481 13.924 0.556 342 HB VAL 43 HB VAL 43 0.949 15.925 -0.322 343 HG11 VAL 43 1HG1 VAL 43 2.467 17.707 0.609 344 HG12 VAL 43 2HG1 VAL 43 3.675 17.206 -0.605 345 HG13 VAL 43 3HG1 VAL 43 2.111 17.829 -1.129 346 HG21 VAL 43 3HG2 VAL 43 1.869 15.694 -2.503 347 HG22 VAL 43 1HG2 VAL 43 3.413 15.124 -1.850 348 HG23 VAL 43 2HG2 VAL 43 1.934 14.128 -1.685 349 H GLY 44 H GLY 44 3.253 15.211 3.200 350 HA2 GLY 44 1HA GLY 44 6.151 15.128 2.755 351 HA3 GLY 44 2HA GLY 44 5.556 16.627 3.480 352 H ARG 45 H ARG 45 3.717 13.814 4.320 353 HA ARG 45 HA ARG 45 4.505 13.974 7.125 354 HB2 ARG 45 1HB ARG 45 2.201 13.529 6.325 355 HB3 ARG 45 2HB ARG 45 2.736 12.025 5.564 356 HG2 ARG 45 1HG ARG 45 3.192 11.005 7.695 357 HG3 ARG 45 2HG ARG 45 2.999 12.557 8.554 358 HD2 ARG 45 1HD ARG 45 0.646 12.652 7.865 359 HD3 ARG 45 2HD ARG 45 0.820 11.118 6.985 360 HE ARG 45 HE ARG 45 1.658 10.737 9.665 361 HH11 ARG 45 2HH2 ARG 45 -1.426 11.183 7.889 362 HH12 ARG 45 1HH2 ARG 45 -2.248 9.986 8.808 363 HH21 ARG 45 2HH1 ARG 45 0.526 9.452 11.019 364 HH22 ARG 45 1HH1 ARG 45 -1.174 9.182 10.838 365 H GLU 46 H GLU 46 6.092 12.631 8.115 366 HA GLU 46 HA GLU 46 7.501 10.663 6.400 367 HB2 GLU 46 1HB GLU 46 8.054 11.911 9.106 368 HB3 GLU 46 2HB GLU 46 8.610 10.274 8.773 369 HG2 GLU 46 1HG GLU 46 9.444 11.453 6.477 370 HG3 GLU 46 2HG GLU 46 9.524 12.840 7.545 371 H VAL 47 H VAL 47 7.518 8.405 7.111 372 HA VAL 47 HA VAL 47 5.525 7.576 9.088 373 HB VAL 47 HB VAL 47 4.507 5.948 7.550 374 HG11 VAL 47 1HG1 VAL 47 3.459 8.165 7.917 375 HG12 VAL 47 2HG1 VAL 47 4.227 8.761 6.438 376 HG13 VAL 47 3HG1 VAL 47 3.051 7.438 6.348 377 HG21 VAL 47 3HG2 VAL 47 4.772 6.097 5.120 378 HG22 VAL 47 1HG2 VAL 47 6.013 7.359 5.306 379 HG23 VAL 47 2HG2 VAL 47 6.313 5.702 5.884 380 H LYS 48 H LYS 48 5.671 5.067 9.284 381 HA LYS 48 HA LYS 48 8.468 4.169 9.004 382 HB2 LYS 48 1HB LYS 48 6.513 3.972 11.324 383 HB3 LYS 48 2HB LYS 48 7.933 2.944 11.210 384 HG2 LYS 48 1HG LYS 48 8.138 5.988 11.153 385 HG3 LYS 48 2HG LYS 48 8.260 5.031 12.623 386 HD2 LYS 48 1HD LYS 48 10.270 3.936 11.906 387 HD3 LYS 48 2HD LYS 48 10.029 4.438 10.251 388 HE2 LYS 48 1HE LYS 48 10.228 6.871 11.138 389 HE3 LYS 48 2HE LYS 48 11.033 6.107 12.517 390 HZ1 LYS 48 3HZ LYS 48 11.827 5.920 9.666 391 HZ2 LYS 48 1HZ LYS 48 12.614 6.720 10.832 392 HZ3 LYS 48 2HZ LYS 48 12.575 5.064 10.830 393 H LYS 49 H LYS 49 8.636 1.826 9.033 394 HA LYS 49 HA LYS 49 6.972 0.589 7.186 395 HB2 LYS 49 1HB LYS 49 8.302 -1.410 7.684 396 HB3 LYS 49 2HB LYS 49 9.301 0.047 7.696 397 HG2 LYS 49 1HG LYS 49 9.315 0.134 10.137 398 HG3 LYS 49 2HG LYS 49 8.206 -1.238 10.235 399 HD2 LYS 49 1HD LYS 49 11.058 -1.324 9.163 400 HD3 LYS 49 2HD LYS 49 10.480 -1.887 10.735 401 HE2 LYS 49 1HE LYS 49 8.747 -3.219 9.093 402 HE3 LYS 49 2HE LYS 49 10.149 -3.108 8.018 403 HZ1 LYS 49 3HZ LYS 49 10.058 -4.281 10.721 404 HZ2 LYS 49 1HZ LYS 49 10.277 -5.087 9.287 405 HZ3 LYS 49 2HZ LYS 49 11.451 -4.073 9.869 406 H GLY 50 H GLY 50 5.649 1.349 9.827 407 HA2 GLY 50 1HA GLY 50 3.563 -0.539 9.569 408 HA3 GLY 50 2HA GLY 50 4.300 -0.741 11.175 409 H GLU 51 H GLU 51 3.051 1.822 8.948 410 HA GLU 51 HA GLU 51 1.919 3.267 11.291 411 HB2 GLU 51 1HB GLU 51 3.984 4.062 9.421 412 HB3 GLU 51 2HB GLU 51 2.601 5.037 9.092 413 HG2 GLU 51 1HG GLU 51 3.187 4.808 12.003 414 HG3 GLU 51 2HG GLU 51 4.532 5.430 11.051 415 H VAL 52 H VAL 52 -0.257 3.305 11.137 416 HA VAL 52 HA VAL 52 -1.681 2.801 8.666 417 HB VAL 52 HB VAL 52 -2.665 1.693 10.346 418 HG11 VAL 52 1HG1 VAL 52 -2.069 3.963 12.197 419 HG12 VAL 52 2HG1 VAL 52 -3.193 2.657 12.617 420 HG13 VAL 52 3HG1 VAL 52 -1.510 2.264 12.229 421 HG21 VAL 52 3HG2 VAL 52 -4.826 2.719 10.926 422 HG22 VAL 52 1HG2 VAL 52 -4.258 4.290 10.468 423 HG23 VAL 52 2HG2 VAL 52 -4.419 3.027 9.225 424 H VAL 53 H VAL 53 -1.107 4.425 7.407 425 HA VAL 53 HA VAL 53 -2.093 7.158 8.121 426 HB VAL 53 HB VAL 53 -0.532 7.848 6.274 427 HG11 VAL 53 1HG1 VAL 53 1.217 8.129 7.749 428 HG12 VAL 53 2HG1 VAL 53 -0.096 7.741 8.861 429 HG13 VAL 53 3HG1 VAL 53 1.054 6.495 8.446 430 HG21 VAL 53 3HG2 VAL 53 -0.298 5.524 5.242 431 HG22 VAL 53 1HG2 VAL 53 1.222 6.387 5.505 432 HG23 VAL 53 2HG2 VAL 53 0.729 5.102 6.624 433 H ALA 54 H ALA 54 -3.151 4.444 6.447 434 HA ALA 54 HA ALA 54 -4.695 6.125 4.644 435 HB1 ALA 54 1HB ALA 54 -4.060 4.749 2.686 436 HB2 ALA 54 2HB ALA 54 -2.672 5.595 3.390 437 HB3 ALA 54 3HB ALA 54 -2.903 3.851 3.706 438 H SER 55 H SER 55 -5.943 5.224 6.624 439 HA SER 55 HA SER 55 -6.829 2.483 6.720 440 HB2 SER 55 1HB SER 55 -7.496 5.099 7.911 441 HB3 SER 55 2HB SER 55 -8.880 4.044 7.788 442 HG SER 55 HG SER 55 -7.272 4.029 9.690 443 H ILE 56 H ILE 56 -8.833 1.644 6.111 444 HA ILE 56 HA ILE 56 -10.157 2.958 3.767 445 HB ILE 56 HB ILE 56 -9.614 -0.015 4.045 446 HG12 ILE 56 1HG1 ILE 56 -7.912 1.991 2.639 447 HG13 ILE 56 2HG1 ILE 56 -7.425 0.884 3.947 448 HG21 ILE 56 1HG2 ILE 56 -10.379 1.690 1.641 449 HG22 ILE 56 2HG2 ILE 56 -10.353 -0.092 1.720 450 HG23 ILE 56 3HG2 ILE 56 -11.529 0.804 2.656 451 HD11 ILE 56 3HD1 ILE 56 -6.609 0.085 1.768 452 HD12 ILE 56 1HD1 ILE 56 -7.754 -1.042 2.519 453 HD13 ILE 56 2HD1 ILE 56 -8.246 0.006 1.156 454 H GLU 57 H GLU 57 -12.051 3.643 4.773 455 HA GLU 57 HA GLU 57 -13.447 1.736 6.549 456 HB2 GLU 57 1HB GLU 57 -13.637 4.707 6.224 457 HB3 GLU 57 2HB GLU 57 -15.181 3.848 6.275 458 HG2 GLU 57 1HG GLU 57 -14.066 2.552 8.303 459 HG3 GLU 57 2HG GLU 57 -13.061 3.995 8.403 460 H SER 58 H SER 58 -14.427 0.278 5.536 461 HA SER 58 HA SER 58 -15.682 0.747 2.898 462 HB2 SER 58 1HB SER 58 -15.903 -1.736 2.855 463 HB3 SER 58 2HB SER 58 -14.235 -1.227 3.125 464 HG SER 58 HG SER 58 -14.477 -1.696 5.312 465 H VAL 59 H VAL 59 -17.758 -1.061 3.028 466 HA VAL 59 HA VAL 59 -19.822 0.550 3.989 467 HB VAL 59 HB VAL 59 -21.215 -1.529 3.592 468 HG11 VAL 59 1HG1 VAL 59 -20.947 -1.454 1.160 469 HG12 VAL 59 2HG1 VAL 59 -20.805 0.172 1.835 470 HG13 VAL 59 3HG1 VAL 59 -19.348 -0.699 1.319 471 HG21 VAL 59 3HG2 VAL 59 -20.249 -3.445 2.500 472 HG22 VAL 59 1HG2 VAL 59 -18.624 -2.745 2.518 473 HG23 VAL 59 2HG2 VAL 59 -19.393 -3.248 4.028 474 H LYS 60 H LYS 60 -17.968 -1.964 5.736 475 HA LYS 60 HA LYS 60 -19.004 -0.906 8.162 476 HB2 LYS 60 1HB LYS 60 -20.074 -3.077 9.021 477 HB3 LYS 60 2HB LYS 60 -20.940 -2.040 7.928 478 HG2 LYS 60 1HG LYS 60 -20.156 -3.656 6.027 479 HG3 LYS 60 2HG LYS 60 -19.663 -4.720 7.332 480 HD2 LYS 60 1HD LYS 60 -21.848 -5.312 6.471 481 HD3 LYS 60 2HD LYS 60 -22.029 -4.765 8.136 482 HE2 LYS 60 1HE LYS 60 -22.276 -2.696 5.950 483 HE3 LYS 60 2HE LYS 60 -23.577 -3.893 6.046 484 HZ1 LYS 60 3HZ LYS 60 -23.889 -1.809 7.414 485 HZ2 LYS 60 1HZ LYS 60 -24.070 -3.263 8.213 486 HZ3 LYS 60 2HZ LYS 60 -22.732 -2.372 8.423 487 H ALA 61 H ALA 61 -16.358 -1.372 7.055 488 HA ALA 61 HA ALA 61 -15.203 -2.602 9.427 489 HB1 ALA 61 1HB ALA 61 -13.634 -3.880 7.728 490 HB2 ALA 61 2HB ALA 61 -15.179 -4.613 8.217 491 HB3 ALA 61 3HB ALA 61 -15.023 -3.794 6.650 492 H ALA 62 H ALA 62 -12.843 -2.148 9.475 493 HA ALA 62 HA ALA 62 -11.941 0.049 7.727 494 HB1 ALA 62 1HB ALA 62 -12.541 1.231 9.704 495 HB2 ALA 62 2HB ALA 62 -11.784 -0.002 10.756 496 HB3 ALA 62 3HB ALA 62 -10.787 1.036 9.713 497 H ALA 63 H ALA 63 -10.383 -0.978 6.609 498 HA ALA 63 HA ALA 63 -8.445 -2.790 7.979 499 HB1 ALA 63 1HB ALA 63 -8.513 -1.798 5.103 500 HB2 ALA 63 2HB ALA 63 -7.317 -2.894 5.807 501 HB3 ALA 63 3HB ALA 63 -9.006 -3.422 5.661 502 H ASP 64 H ASP 64 -6.745 -1.762 9.060 503 HA ASP 64 HA ASP 64 -6.045 1.020 8.567 504 HB2 ASP 64 1HB ASP 64 -4.201 -0.326 10.155 505 HB3 ASP 64 2HB ASP 64 -5.480 0.735 10.731 506 H VAL 65 H VAL 65 -4.420 1.379 7.088 507 HA VAL 65 HA VAL 65 -3.224 -0.986 5.806 508 HB VAL 65 HB VAL 65 -3.532 1.745 4.649 509 HG11 VAL 65 1HG1 VAL 65 -3.121 0.457 2.542 510 HG12 VAL 65 2HG1 VAL 65 -1.705 0.525 3.580 511 HG13 VAL 65 3HG1 VAL 65 -2.679 -0.962 3.514 512 HG21 VAL 65 3HG2 VAL 65 -5.057 -0.876 4.164 513 HG22 VAL 65 1HG2 VAL 65 -5.690 0.536 5.044 514 HG23 VAL 65 2HG2 VAL 65 -5.271 0.700 3.332 515 H TYR 66 H TYR 66 -0.953 -1.268 6.474 516 HA TYR 66 HA TYR 66 0.060 0.983 8.123 517 HB2 TYR 66 1HB TYR 66 0.927 -1.921 8.188 518 HB3 TYR 66 2HB TYR 66 1.412 -0.626 9.262 519 HD1 TYR 66 1HD TYR 66 -1.327 -2.845 8.214 520 HD2 TYR 66 2HD TYR 66 -0.118 0.150 11.026 521 HE1 TYR 66 1HE TYR 66 -3.032 -3.681 9.728 522 HE2 TYR 66 2HE TYR 66 -1.841 -0.714 12.666 523 HH TYR 66 HH TYR 66 -4.309 -2.758 11.773 524 H ALA 67 H ALA 67 1.414 2.131 6.954 525 HA ALA 67 HA ALA 67 2.611 1.883 4.610 526 HB1 ALA 67 1HB ALA 67 2.826 3.945 5.801 527 HB2 ALA 67 2HB ALA 67 3.809 3.169 7.059 528 HB3 ALA 67 3HB ALA 67 4.487 3.383 5.444 529 HA PRO 68 HA PRO 68 4.915 -1.729 5.178 530 HB2 PRO 68 1HB PRO 68 5.963 -2.166 2.686 531 HB3 PRO 68 2HB PRO 68 4.203 -2.211 3.062 532 HG2 PRO 68 1HG PRO 68 5.811 0.120 1.945 533 HG3 PRO 68 2HG PRO 68 4.309 -0.581 1.277 534 HD2 PRO 68 1HD PRO 68 4.199 1.571 2.888 535 HD3 PRO 68 2HD PRO 68 3.000 0.250 3.066 536 H LEU 69 H LEU 69 6.746 1.082 4.181 537 HA LEU 69 HA LEU 69 9.234 -0.011 5.348 538 HB2 LEU 69 1HB LEU 69 8.846 1.494 2.743 539 HB3 LEU 69 2HB LEU 69 10.371 1.569 3.604 540 HG LEU 69 HG LEU 69 10.732 0.110 1.932 541 HD11 LEU 69 1HD1 LEU 69 11.159 -2.134 2.821 542 HD12 LEU 69 2HD1 LEU 69 11.504 -0.911 4.046 543 HD13 LEU 69 3HD1 LEU 69 10.004 -1.856 4.136 544 HD21 LEU 69 3HD2 LEU 69 8.483 -0.096 1.127 545 HD22 LEU 69 1HD2 LEU 69 9.289 -1.680 1.153 546 HD23 LEU 69 2HD2 LEU 69 8.091 -1.252 2.392 547 H SER 70 H SER 70 10.557 1.841 6.102 548 HA SER 70 HA SER 70 8.954 4.106 7.040 549 HB2 SER 70 1HB SER 70 11.934 3.486 7.332 550 HB3 SER 70 2HB SER 70 10.967 4.632 8.282 551 HG SER 70 HG SER 70 11.117 1.849 8.369 552 H GLY 71 H GLY 71 9.388 6.320 6.348 553 HA2 GLY 71 1HA GLY 71 11.158 7.224 4.384 554 HA3 GLY 71 2HA GLY 71 9.859 6.417 3.500 555 H LYS 72 H LYS 72 9.401 8.661 2.648 556 HA LYS 72 HA LYS 72 7.557 10.058 4.523 557 HB2 LYS 72 1HB LYS 72 9.793 11.256 4.355 558 HB3 LYS 72 2HB LYS 72 9.466 11.452 2.648 559 HG2 LYS 72 1HG LYS 72 7.284 12.624 3.315 560 HG3 LYS 72 2HG LYS 72 7.893 12.616 4.959 561 HD2 LYS 72 1HD LYS 72 9.848 13.737 3.027 562 HD3 LYS 72 2HD LYS 72 8.291 14.543 2.966 563 HE2 LYS 72 1HE LYS 72 9.085 15.789 4.664 564 HE3 LYS 72 2HE LYS 72 8.541 14.444 5.656 565 HZ1 LYS 72 3HZ LYS 72 10.892 13.549 5.367 566 HZ2 LYS 72 1HZ LYS 72 11.266 14.972 4.681 567 HZ3 LYS 72 2HZ LYS 72 10.781 14.945 6.240 568 H ILE 73 H ILE 73 5.665 10.617 3.668 569 HA ILE 73 HA ILE 73 4.760 9.575 1.137 570 HB ILE 73 HB ILE 73 3.580 11.648 3.000 571 HG12 ILE 73 1HG1 ILE 73 3.874 9.868 4.479 572 HG13 ILE 73 2HG1 ILE 73 2.240 9.708 3.952 573 HG21 ILE 73 1HG2 ILE 73 2.511 11.473 0.729 574 HG22 ILE 73 2HG2 ILE 73 2.128 9.777 1.072 575 HG23 ILE 73 3HG2 ILE 73 1.442 11.111 2.047 576 HD11 ILE 73 3HD1 ILE 73 2.986 7.521 3.899 577 HD12 ILE 73 1HD1 ILE 73 3.221 8.022 2.209 578 HD13 ILE 73 2HD1 ILE 73 4.600 7.968 3.319 579 H VAL 74 H VAL 74 4.586 10.677 -0.829 580 HA VAL 74 HA VAL 74 4.995 13.576 -0.868 581 HB VAL 74 HB VAL 74 6.799 13.417 -2.543 582 HG11 VAL 74 1HG1 VAL 74 7.750 12.019 -0.039 583 HG12 VAL 74 2HG1 VAL 74 8.678 13.025 -1.156 584 HG13 VAL 74 3HG1 VAL 74 7.410 13.761 -0.176 585 HG21 VAL 74 3HG2 VAL 74 6.413 11.184 -3.464 586 HG22 VAL 74 1HG2 VAL 74 8.085 11.370 -2.927 587 HG23 VAL 74 2HG2 VAL 74 6.943 10.447 -1.932 588 H GLU 75 H GLU 75 3.239 10.870 -2.070 589 HA GLU 75 HA GLU 75 1.904 12.832 -3.706 590 HB2 GLU 75 1HB GLU 75 3.656 11.251 -5.129 591 HB3 GLU 75 2HB GLU 75 2.238 10.205 -5.116 592 HG2 GLU 75 1HG GLU 75 0.890 12.044 -6.092 593 HG3 GLU 75 2HG GLU 75 2.281 13.124 -5.973 594 H VAL 76 H VAL 76 -0.458 12.151 -3.865 595 HA VAL 76 HA VAL 76 -1.107 9.567 -2.596 596 HB VAL 76 HB VAL 76 -2.876 10.465 -1.281 597 HG11 VAL 76 1HG1 VAL 76 -0.387 12.085 -0.585 598 HG12 VAL 76 2HG1 VAL 76 -1.676 11.518 0.488 599 HG13 VAL 76 3HG1 VAL 76 -0.580 10.351 -0.247 600 HG21 VAL 76 3HG2 VAL 76 -3.390 12.460 -2.695 601 HG22 VAL 76 1HG2 VAL 76 -3.304 12.823 -0.970 602 HG23 VAL 76 2HG2 VAL 76 -1.940 13.245 -2.045 603 H ASN 77 H ASN 77 -3.559 9.006 -3.059 604 HA ASN 77 HA ASN 77 -3.886 9.652 -5.950 605 HB2 ASN 77 1HB ASN 77 -3.248 7.265 -5.108 606 HB3 ASN 77 2HB ASN 77 -4.880 7.152 -4.560 607 HD21 ASN 77 1HD2 ASN 77 -4.967 5.362 -6.056 608 HD22 ASN 77 2HD2 ASN 77 -5.290 5.576 -7.758 609 H GLU 78 H GLU 78 -5.152 11.586 -5.389 610 HA GLU 78 HA GLU 78 -7.422 11.553 -3.722 611 HB2 GLU 78 1HB GLU 78 -6.643 13.219 -6.142 612 HB3 GLU 78 2HB GLU 78 -8.084 13.552 -5.198 613 HG2 GLU 78 1HG GLU 78 -6.848 14.212 -3.288 614 HG3 GLU 78 2HG GLU 78 -5.357 13.474 -3.885 615 H LYS 79 H LYS 79 -6.969 10.144 -6.705 616 HA LYS 79 HA LYS 79 -9.651 9.938 -7.757 617 HB2 LYS 79 1HB LYS 79 -7.167 8.227 -7.913 618 HB3 LYS 79 2HB LYS 79 -8.674 7.546 -8.457 619 HG2 LYS 79 1HG LYS 79 -8.990 9.635 -9.939 620 HG3 LYS 79 2HG LYS 79 -7.349 10.082 -9.458 621 HD2 LYS 79 1HD LYS 79 -7.080 8.957 -11.523 622 HD3 LYS 79 2HD LYS 79 -6.601 7.809 -10.278 623 HE2 LYS 79 1HE LYS 79 -7.897 6.453 -11.599 624 HE3 LYS 79 2HE LYS 79 -9.097 6.972 -10.409 625 HZ1 LYS 79 3HZ LYS 79 -9.813 8.646 -12.020 626 HZ2 LYS 79 1HZ LYS 79 -8.678 8.089 -13.106 627 HZ3 LYS 79 2HZ LYS 79 -9.937 7.122 -12.619 628 H LEU 80 H LEU 80 -8.119 8.290 -4.976 629 HA LEU 80 HA LEU 80 -10.167 6.262 -4.825 630 HB2 LEU 80 1HB LEU 80 -8.026 7.235 -2.913 631 HB3 LEU 80 2HB LEU 80 -9.173 5.997 -2.484 632 HG LEU 80 HG LEU 80 -6.691 5.489 -3.544 633 HD11 LEU 80 1HD1 LEU 80 -7.536 3.190 -3.998 634 HD12 LEU 80 2HD1 LEU 80 -7.958 3.844 -2.420 635 HD13 LEU 80 3HD1 LEU 80 -9.189 3.788 -3.712 636 HD21 LEU 80 3HD2 LEU 80 -7.330 6.233 -5.857 637 HD22 LEU 80 1HD2 LEU 80 -6.961 4.510 -5.779 638 HD23 LEU 80 2HD2 LEU 80 -8.644 5.037 -5.875 639 H ASP 81 H ASP 81 -10.182 9.660 -4.036 640 HA ASP 81 HA ASP 81 -12.277 9.643 -2.071 641 HB2 ASP 81 1HB ASP 81 -10.737 11.581 -2.663 642 HB3 ASP 81 2HB ASP 81 -11.674 11.778 -4.135 643 H THR 82 H THR 82 -12.249 8.988 -5.498 644 HA THR 82 HA THR 82 -15.220 9.262 -5.613 645 HB THR 82 HB THR 82 -14.999 10.104 -7.895 646 HG1 THR 82 1HG THR 82 -12.318 10.776 -7.548 647 HG21 THR 82 3HG2 THR 82 -14.278 12.357 -7.339 648 HG22 THR 82 1HG2 THR 82 -15.184 11.654 -5.979 649 HG23 THR 82 2HG2 THR 82 -13.424 11.780 -5.889 650 H GLU 83 H GLU 83 -12.469 7.261 -6.249 651 HA GLU 83 HA GLU 83 -14.339 5.053 -6.910 652 HB2 GLU 83 1HB GLU 83 -11.748 5.774 -8.149 653 HB3 GLU 83 2HB GLU 83 -12.359 4.110 -8.224 654 HG2 GLU 83 1HG GLU 83 -14.422 5.906 -9.189 655 HG3 GLU 83 2HG GLU 83 -12.933 6.244 -10.023 656 HA PRO 84 HA PRO 84 -11.705 3.990 -3.211 657 HB2 PRO 84 1HB PRO 84 -13.882 3.295 -1.652 658 HB3 PRO 84 2HB PRO 84 -13.092 4.904 -1.615 659 HG2 PRO 84 1HG PRO 84 -15.646 4.081 -2.952 660 HG3 PRO 84 2HG PRO 84 -15.230 5.641 -2.202 661 HD2 PRO 84 1HD PRO 84 -15.216 5.062 -4.939 662 HD3 PRO 84 2HD PRO 84 -14.261 6.409 -4.279 663 H GLU 85 H GLU 85 -14.288 2.951 -5.287 664 HA GLU 85 HA GLU 85 -13.936 0.153 -4.733 665 HB2 GLU 85 1HB GLU 85 -15.466 1.466 -6.986 666 HB3 GLU 85 2HB GLU 85 -15.611 -0.220 -6.455 667 HG2 GLU 85 1HG GLU 85 -16.503 2.313 -5.119 668 HG3 GLU 85 2HG GLU 85 -17.469 0.882 -5.497 669 H LEU 86 H LEU 86 -12.004 2.322 -6.508 670 HA LEU 86 HA LEU 86 -11.376 0.404 -8.610 671 HB2 LEU 86 1HB LEU 86 -10.183 3.005 -7.741 672 HB3 LEU 86 2HB LEU 86 -9.036 1.826 -8.322 673 HG LEU 86 HG LEU 86 -11.289 3.120 -9.858 674 HD11 LEU 86 1HD1 LEU 86 -8.343 2.635 -10.341 675 HD12 LEU 86 2HD1 LEU 86 -9.418 3.527 -11.424 676 HD13 LEU 86 3HD1 LEU 86 -9.070 4.168 -9.803 677 HD21 LEU 86 3HD2 LEU 86 -9.913 0.524 -10.600 678 HD22 LEU 86 1HD2 LEU 86 -11.670 0.854 -10.531 679 HD23 LEU 86 2HD2 LEU 86 -10.671 1.591 -11.789 680 H ILE 87 H ILE 87 -10.692 0.533 -5.301 681 HA ILE 87 HA ILE 87 -8.405 -1.140 -5.239 682 HB ILE 87 HB ILE 87 -10.699 -0.940 -3.234 683 HG12 ILE 87 1HG1 ILE 87 -8.189 0.776 -3.480 684 HG13 ILE 87 2HG1 ILE 87 -9.829 1.341 -3.741 685 HG21 ILE 87 1HG2 ILE 87 -7.771 -1.521 -2.744 686 HG22 ILE 87 2HG2 ILE 87 -9.177 -1.736 -1.641 687 HG23 ILE 87 3HG2 ILE 87 -8.956 -2.808 -3.000 688 HD11 ILE 87 3HD1 ILE 87 -10.389 0.812 -1.360 689 HD12 ILE 87 1HD1 ILE 87 -8.666 0.436 -1.090 690 HD13 ILE 87 2HD1 ILE 87 -9.147 2.055 -1.570 691 H ASN 88 H ASN 88 -11.930 -1.822 -5.730 692 HA ASN 88 HA ASN 88 -11.639 -4.740 -5.608 693 HB2 ASN 88 1HB ASN 88 -13.656 -2.856 -6.977 694 HB3 ASN 88 2HB ASN 88 -13.627 -4.587 -7.218 695 HD21 ASN 88 1HD2 ASN 88 -13.666 -2.509 -4.183 696 HD22 ASN 88 2HD2 ASN 88 -14.736 -3.609 -3.390 697 H LYS 89 H LYS 89 -11.767 -2.248 -8.108 698 HA LYS 89 HA LYS 89 -11.861 -3.994 -10.260 699 HB2 LYS 89 1HB LYS 89 -11.962 -1.233 -9.865 700 HB3 LYS 89 2HB LYS 89 -10.677 -1.463 -11.032 701 HG2 LYS 89 1HG LYS 89 -13.478 -2.680 -11.288 702 HG3 LYS 89 2HG LYS 89 -12.982 -1.122 -11.902 703 HD2 LYS 89 1HD LYS 89 -12.691 -2.323 -13.819 704 HD3 LYS 89 2HD LYS 89 -11.072 -2.469 -13.135 705 HE2 LYS 89 1HE LYS 89 -12.461 -4.639 -12.000 706 HE3 LYS 89 2HE LYS 89 -13.199 -4.509 -13.591 707 HZ1 LYS 89 3HZ LYS 89 -10.959 -4.653 -14.548 708 HZ2 LYS 89 1HZ LYS 89 -10.321 -4.815 -13.014 709 HZ3 LYS 89 2HZ LYS 89 -11.325 -5.953 -13.609 710 H ASP 90 H ASP 90 -8.987 -2.520 -8.750 711 HA ASP 90 HA ASP 90 -7.192 -4.495 -9.773 712 HB2 ASP 90 1HB ASP 90 -7.687 -2.181 -11.467 713 HB3 ASP 90 2HB ASP 90 -6.055 -2.107 -10.946 714 HA PRO 91 HA PRO 91 -6.188 -1.994 -5.981 715 HB2 PRO 91 1HB PRO 91 -5.377 -4.100 -4.375 716 HB3 PRO 91 2HB PRO 91 -7.050 -3.557 -4.528 717 HG2 PRO 91 1HG PRO 91 -5.649 -5.855 -5.892 718 HG3 PRO 91 2HG PRO 91 -7.316 -5.789 -5.233 719 HD2 PRO 91 1HD PRO 91 -6.724 -5.550 -7.902 720 HD3 PRO 91 2HD PRO 91 -8.147 -4.787 -7.154 721 H GLU 92 H GLU 92 -4.360 -4.102 -8.063 722 HA GLU 92 HA GLU 92 -1.858 -2.849 -7.171 723 HB2 GLU 92 1HB GLU 92 -1.506 -5.524 -8.272 724 HB3 GLU 92 2HB GLU 92 -0.661 -4.689 -6.996 725 HG2 GLU 92 1HG GLU 92 -2.594 -5.243 -5.458 726 HG3 GLU 92 2HG GLU 92 -3.307 -6.182 -6.761 727 H GLY 93 H GLY 93 -3.568 -1.761 -8.898 728 HA2 GLY 93 1HA GLY 93 -1.670 -1.410 -11.100 729 HA3 GLY 93 2HA GLY 93 -3.377 -1.636 -11.604 730 H GLU 94 H GLU 94 -4.834 -0.112 -11.315 731 HA GLU 94 HA GLU 94 -3.858 2.550 -10.943 732 HB2 GLU 94 1HB GLU 94 -6.477 1.226 -11.673 733 HB3 GLU 94 2HB GLU 94 -6.436 2.938 -11.377 734 HG2 GLU 94 1HG GLU 94 -4.397 1.816 -13.134 735 HG3 GLU 94 2HG GLU 94 -5.988 1.951 -13.788 736 H GLY 95 H GLY 95 -5.554 0.303 -8.778 737 HA2 GLY 95 1HA GLY 95 -6.681 2.364 -7.075 738 HA3 GLY 95 2HA GLY 95 -6.711 0.656 -6.841 739 H TRP 96 H TRP 96 -3.834 2.801 -7.149 740 HA TRP 96 HA TRP 96 -2.660 1.681 -4.706 741 HB2 TRP 96 1HB TRP 96 -0.827 3.186 -5.115 742 HB3 TRP 96 2HB TRP 96 -1.200 2.263 -6.543 743 HD1 TRP 96 HD TRP 96 -2.360 3.480 -8.585 744 HE1 TRP 96 1HE TRP 96 -2.301 5.895 -9.433 745 HE3 TRP 96 3HE TRP 96 -0.468 5.812 -4.439 746 HZ2 TRP 96 2HZ TRP 96 -1.682 8.487 -8.440 747 HZ3 TRP 96 3HZ TRP 96 -0.216 8.358 -4.447 748 HH2 TRP 96 HH TRP 96 -0.769 9.630 -6.451 749 H LEU 97 H LEU 97 -1.908 3.236 -2.974 750 HA LEU 97 HA LEU 97 -4.245 4.904 -2.156 751 HB2 LEU 97 1HB LEU 97 -1.905 3.951 -0.475 752 HB3 LEU 97 2HB LEU 97 -3.389 4.704 0.096 753 HG LEU 97 HG LEU 97 -3.779 2.167 -1.385 754 HD11 LEU 97 1HD1 LEU 97 -2.858 0.738 0.340 755 HD12 LEU 97 2HD1 LEU 97 -1.572 1.805 -0.219 756 HD13 LEU 97 3HD1 LEU 97 -2.358 2.155 1.310 757 HD21 LEU 97 3HD2 LEU 97 -5.282 1.614 0.439 758 HD22 LEU 97 1HD2 LEU 97 -4.659 2.907 1.458 759 HD23 LEU 97 2HD2 LEU 97 -5.591 3.301 -0.002 760 H PHE 98 H PHE 98 -0.638 4.889 -1.803 761 HA PHE 98 HA PHE 98 -0.488 7.690 -2.514 762 HB2 PHE 98 1HB PHE 98 0.564 8.362 -0.408 763 HB3 PHE 98 2HB PHE 98 -1.094 7.861 -0.175 764 HD1 PHE 98 1HD PHE 98 2.456 6.941 0.330 765 HD2 PHE 98 2HD PHE 98 -1.633 5.891 1.194 766 HE1 PHE 98 1HE PHE 98 3.210 5.445 2.160 767 HE2 PHE 98 2HE PHE 98 -0.821 4.297 2.951 768 HZ PHE 98 HZ PHE 98 1.564 4.148 3.480 769 H LYS 99 H LYS 99 1.930 8.394 -2.215 770 HA LYS 99 HA LYS 99 3.759 6.134 -2.813 771 HB2 LYS 99 1HB LYS 99 3.856 8.850 -4.202 772 HB3 LYS 99 2HB LYS 99 4.925 7.495 -4.424 773 HG2 LYS 99 1HG LYS 99 2.716 6.170 -5.061 774 HG3 LYS 99 2HG LYS 99 2.060 7.780 -5.324 775 HD2 LYS 99 1HD LYS 99 4.576 6.682 -6.655 776 HD3 LYS 99 2HD LYS 99 2.949 6.684 -7.360 777 HE2 LYS 99 1HE LYS 99 2.869 9.170 -7.102 778 HE3 LYS 99 2HE LYS 99 4.552 9.152 -6.541 779 HZ1 LYS 99 3HZ LYS 99 3.594 8.195 -9.157 780 HZ2 LYS 99 1HZ LYS 99 4.358 9.627 -8.883 781 HZ3 LYS 99 2HZ LYS 99 5.158 8.184 -8.661 782 H MET 100 H MET 100 5.944 6.545 -2.211 783 HA MET 100 HA MET 100 6.402 8.856 -0.480 784 HB2 MET 100 1HB MET 100 7.207 7.154 1.288 785 HB3 MET 100 2HB MET 100 5.527 7.636 1.233 786 HG2 MET 100 1HG MET 100 4.796 5.605 0.235 787 HG3 MET 100 2HG MET 100 6.373 5.056 -0.084 788 HE1 MET 100 3HE MET 100 8.103 5.340 2.365 789 HE2 MET 100 1HE MET 100 7.116 6.378 3.408 790 HE3 MET 100 2HE MET 100 7.503 4.731 3.925 791 H GLU 101 H GLU 101 8.459 9.404 -0.290 792 HA GLU 101 HA GLU 101 10.569 8.413 -1.954 793 HB2 GLU 101 1HB GLU 101 10.399 10.737 -1.176 794 HB3 GLU 101 2HB GLU 101 10.528 10.216 0.509 795 HG2 GLU 101 1HG GLU 101 12.802 9.397 0.121 796 HG3 GLU 101 2HG GLU 101 12.673 9.744 -1.603 797 H ILE 102 H ILE 102 11.971 6.700 -1.501 798 HA ILE 102 HA ILE 102 11.507 5.173 0.957 799 HB ILE 102 HB ILE 102 13.273 3.694 0.047 800 HG12 ILE 102 1HG1 ILE 102 12.882 5.127 -2.594 801 HG13 ILE 102 2HG1 ILE 102 14.323 5.350 -1.579 802 HG21 ILE 102 1HG2 ILE 102 10.798 4.060 -1.690 803 HG22 ILE 102 2HG2 ILE 102 11.769 2.576 -1.587 804 HG23 ILE 102 3HG2 ILE 102 10.923 3.131 -0.173 805 HD11 ILE 102 3HD1 ILE 102 15.111 3.256 -1.892 806 HD12 ILE 102 1HD1 ILE 102 13.632 2.639 -2.653 807 HD13 ILE 102 2HD1 ILE 102 14.629 3.830 -3.500 808 H SER 103 H SER 103 12.798 5.356 2.778 809 HA SER 103 HA SER 103 14.982 7.329 2.672 810 HB2 SER 103 1HB SER 103 15.229 6.942 5.019 811 HB3 SER 103 2HB SER 103 13.578 7.391 4.617 812 HG SER 103 HG SER 103 14.652 4.943 5.471 813 H ASP 104 H ASP 104 14.365 3.831 2.848 814 HA ASP 104 HA ASP 104 17.286 3.258 2.617 815 HB2 ASP 104 1HB ASP 104 15.315 2.266 4.701 816 HB3 ASP 104 2HB ASP 104 16.936 1.597 4.429 817 H GLU 105 H GLU 105 16.960 2.522 0.448 818 HA GLU 105 HA GLU 105 15.073 0.538 -0.371 819 HB2 GLU 105 1HB GLU 105 15.942 1.318 -2.249 820 HB3 GLU 105 2HB GLU 105 17.347 1.965 -1.454 821 HG2 GLU 105 1HG GLU 105 18.446 -0.259 -1.493 822 HG3 GLU 105 2HG GLU 105 17.061 -0.910 -2.403 823 H GLY 106 H GLY 106 17.315 0.266 1.974 824 HA2 GLY 106 1HA GLY 106 18.235 -2.509 1.444 825 HA3 GLY 106 2HA GLY 106 18.838 -1.404 2.707 826 H GLU 107 H GLU 107 15.784 -0.770 3.241 827 HA GLU 107 HA GLU 107 15.373 -2.847 5.276 828 HB2 GLU 107 1HB GLU 107 13.831 -0.416 4.308 829 HB3 GLU 107 2HB GLU 107 13.228 -1.486 5.578 830 HG2 GLU 107 1HG GLU 107 15.986 -0.196 5.786 831 HG3 GLU 107 2HG GLU 107 14.529 0.645 6.292 832 H LEU 108 H LEU 108 14.685 -2.455 1.922 833 HA LEU 108 HA LEU 108 12.205 -3.851 1.686 834 HB2 LEU 108 1HB LEU 108 14.561 -3.807 -0.195 835 HB3 LEU 108 2HB LEU 108 12.925 -4.267 -0.642 836 HG LEU 108 HG LEU 108 13.998 -1.541 -0.041 837 HD11 LEU 108 1HD1 LEU 108 12.518 -2.588 -2.466 838 HD12 LEU 108 2HD1 LEU 108 13.293 -0.992 -2.283 839 HD13 LEU 108 3HD1 LEU 108 14.291 -2.439 -2.339 840 HD21 LEU 108 3HD2 LEU 108 12.086 -1.400 1.064 841 HD22 LEU 108 1HD2 LEU 108 11.652 -0.727 -0.517 842 HD23 LEU 108 2HD2 LEU 108 11.143 -2.384 -0.101 843 H GLU 109 H GLU 109 15.531 -5.036 2.219 844 HA GLU 109 HA GLU 109 14.621 -7.819 1.720 845 HB2 GLU 109 1HB GLU 109 17.387 -6.717 2.158 846 HB3 GLU 109 2HB GLU 109 16.951 -8.403 1.799 847 HG2 GLU 109 1HG GLU 109 15.603 -7.049 -0.222 848 HG3 GLU 109 2HG GLU 109 17.006 -6.024 0.014 849 H ASP 110 H ASP 110 13.803 -6.116 4.002 850 HA ASP 110 HA ASP 110 13.861 -8.601 5.593 851 HB2 ASP 110 1HB ASP 110 14.818 -6.673 6.926 852 HB3 ASP 110 2HB ASP 110 13.233 -5.895 6.832 853 H LEU 111 H LEU 111 12.145 -6.904 3.332 854 HA LEU 111 HA LEU 111 9.456 -7.686 4.357 855 HB2 LEU 111 1HB LEU 111 10.359 -6.243 1.811 856 HB3 LEU 111 2HB LEU 111 8.734 -6.750 2.148 857 HG LEU 111 HG LEU 111 10.281 -4.550 3.500 858 HD11 LEU 111 1HD1 LEU 111 8.984 -4.071 1.461 859 HD12 LEU 111 2HD1 LEU 111 7.530 -4.803 2.179 860 HD13 LEU 111 3HD1 LEU 111 8.208 -3.337 2.886 861 HD21 LEU 111 3HD2 LEU 111 8.280 -4.312 5.040 862 HD22 LEU 111 1HD2 LEU 111 7.788 -5.952 4.542 863 HD23 LEU 111 2HD2 LEU 111 9.329 -5.672 5.401 864 H LEU 112 H LEU 112 8.240 -8.588 2.282 865 HA LEU 112 HA LEU 112 9.374 -11.292 2.120 866 HB2 LEU 112 1HB LEU 112 6.660 -10.181 1.334 867 HB3 LEU 112 2HB LEU 112 7.080 -11.885 1.442 868 HG LEU 112 HG LEU 112 7.185 -9.981 3.844 869 HD11 LEU 112 1HD1 LEU 112 4.908 -11.816 3.083 870 HD12 LEU 112 2HD1 LEU 112 5.051 -10.764 4.520 871 HD13 LEU 112 3HD1 LEU 112 4.942 -10.041 2.907 872 HD21 LEU 112 3HD2 LEU 112 7.104 -13.026 3.695 873 HD22 LEU 112 1HD2 LEU 112 8.508 -12.034 4.154 874 HD23 LEU 112 2HD2 LEU 112 7.071 -12.043 5.181 875 H ASP 113 H ASP 113 10.282 -12.008 0.340 876 HA ASP 113 HA ASP 113 10.160 -10.716 -2.291 877 HB2 ASP 113 1HB ASP 113 11.359 -13.218 -1.162 878 HB3 ASP 113 2HB ASP 113 10.908 -13.283 -2.829 879 H GLU 114 H GLU 114 9.465 -12.437 -4.022 880 HA GLU 114 HA GLU 114 6.599 -12.274 -3.898 881 HB2 GLU 114 1HB GLU 114 7.978 -11.933 -5.979 882 HB3 GLU 114 2HB GLU 114 8.214 -13.687 -6.048 883 HG2 GLU 114 1HG GLU 114 5.908 -14.114 -6.457 884 HG3 GLU 114 2HG GLU 114 5.405 -12.576 -5.770 885 H GLN 115 H GLN 115 8.791 -15.235 -4.036 886 HA GLN 115 HA GLN 115 6.711 -17.088 -3.919 887 HB2 GLN 115 1HB GLN 115 8.967 -17.541 -4.682 888 HB3 GLN 115 2HB GLN 115 9.644 -16.982 -3.156 889 HG2 GLN 115 1HG GLN 115 8.560 -18.824 -1.991 890 HG3 GLN 115 2HG GLN 115 7.987 -19.446 -3.551 891 HE21 GLN 115 1HE2 GLN 115 10.118 -20.232 -1.298 892 HE22 GLN 115 2HE2 GLN 115 11.506 -20.735 -2.216 893 H ALA 116 H ALA 116 8.614 -15.390 -1.438 894 HA ALA 116 HA ALA 116 7.476 -16.672 0.855 895 HB1 ALA 116 1HB ALA 116 8.667 -13.870 0.600 896 HB2 ALA 116 2HB ALA 116 8.379 -14.752 2.113 897 HB3 ALA 116 3HB ALA 116 9.567 -15.367 0.945 898 H TYR 117 H TYR 117 6.444 -13.740 -0.998 899 HA TYR 117 HA TYR 117 4.220 -13.163 0.756 900 HB2 TYR 117 1HB TYR 117 4.983 -11.405 -0.594 901 HB3 TYR 117 2HB TYR 117 4.977 -12.378 -2.056 902 HD1 TYR 117 2HD TYR 117 2.555 -11.069 0.543 903 HD2 TYR 117 1HD TYR 117 3.240 -12.177 -3.571 904 HE1 TYR 117 2HE TYR 117 0.263 -10.306 -0.041 905 HE2 TYR 117 1HE TYR 117 0.968 -11.403 -4.170 906 HH TYR 117 HH TYR 117 -0.951 -10.364 -3.411 907 H GLN 118 H GLN 118 4.542 -15.124 -2.222 908 HA GLN 118 HA GLN 118 1.858 -15.750 -2.680 909 HB2 GLN 118 1HB GLN 118 2.883 -16.704 -4.410 910 HB3 GLN 118 2HB GLN 118 4.441 -16.592 -3.612 911 HG2 GLN 118 1HG GLN 118 4.176 -18.775 -2.588 912 HG3 GLN 118 2HG GLN 118 2.577 -18.946 -3.306 913 HE21 GLN 118 1HE2 GLN 118 2.501 -19.684 -5.560 914 HE22 GLN 118 2HE2 GLN 118 3.988 -19.990 -6.438 915 H GLU 119 H GLU 119 4.223 -17.480 -0.581 916 HA GLU 119 HA GLU 119 2.641 -19.421 0.407 917 HB2 GLU 119 1HB GLU 119 5.116 -18.846 0.899 918 HB3 GLU 119 2HB GLU 119 4.511 -17.738 2.140 919 HG2 GLU 119 1HG GLU 119 3.173 -19.786 3.018 920 HG3 GLU 119 2HG GLU 119 4.219 -20.733 1.949 921 H PHE 120 H PHE 120 2.871 -16.110 1.806 922 HA PHE 120 HA PHE 120 0.884 -16.630 3.790 923 HB2 PHE 120 1HB PHE 120 2.710 -14.840 3.805 924 HB3 PHE 120 2HB PHE 120 1.656 -13.879 2.779 925 HD1 PHE 120 2HD PHE 120 -0.623 -15.594 4.947 926 HD2 PHE 120 1HD PHE 120 2.439 -12.458 5.126 927 HE1 PHE 120 2HE PHE 120 -1.677 -14.664 6.883 928 HE2 PHE 120 1HE PHE 120 1.276 -11.630 7.114 929 HZ PHE 120 HZ PHE 120 -0.692 -12.630 7.997 930 H CYS 121 H CYS 121 0.719 -15.044 0.557 931 HA CYS 121 HA CYS 121 -2.015 -14.272 0.880 932 HB2 CYS 121 1HB CYS 121 -0.205 -13.408 -0.821 933 HB3 CYS 121 2HB CYS 121 -0.747 -14.763 -1.833 934 HG CYS 121 HG CYS 121 -3.279 -14.175 -1.782 935 H ALA 122 H ALA 122 -0.709 -17.400 0.245 936 HA ALA 122 HA ALA 122 -3.401 -18.408 -0.555 937 HB1 ALA 122 1HB ALA 122 -1.674 -18.860 -2.223 938 HB2 ALA 122 2HB ALA 122 -0.628 -19.549 -0.964 939 HB3 ALA 122 3HB ALA 122 -2.140 -20.370 -1.399 940 H GLN 123 H GLN 123 -1.967 -17.766 2.238 941 HA GLN 123 HA GLN 123 -2.641 -20.389 3.442 942 HB2 GLN 123 1HB GLN 123 -0.871 -18.082 4.276 943 HB3 GLN 123 2HB GLN 123 -1.619 -19.021 5.542 944 HG2 GLN 123 1HG GLN 123 -0.362 -20.711 3.457 945 HG3 GLN 123 2HG GLN 123 0.761 -19.627 4.270 946 HE21 GLN 123 1HE2 GLN 123 -2.145 -21.276 5.730 947 HE22 GLN 123 2HE2 GLN 123 -1.173 -22.100 6.924 948 H GLU 124 H GLU 124 -4.161 -17.510 2.594 949 HA GLU 124 HA GLU 124 -5.951 -17.484 4.913 950 HB2 GLU 124 1HB GLU 124 -3.870 -15.927 5.144 951 HB3 GLU 124 2HB GLU 124 -4.589 -14.975 3.841 952 HG2 GLU 124 1HG GLU 124 -6.624 -14.650 5.218 953 HG3 GLU 124 2HG GLU 124 -5.936 -15.667 6.495 Start of MODEL 9 1 H1 MET 1 H MET 1 17.976 0.743 -11.579 2 HA MET 1 HA MET 1 16.974 -1.346 -10.673 3 HB2 MET 1 1HB MET 1 16.633 -0.476 -8.470 4 HB3 MET 1 2HB MET 1 17.862 0.482 -9.240 5 HG2 MET 1 1HG MET 1 15.713 2.026 -9.828 6 HG3 MET 1 2HG MET 1 15.107 1.261 -8.362 7 HE1 MET 1 3HE MET 1 17.887 2.415 -5.732 8 HE2 MET 1 1HE MET 1 16.263 1.735 -5.861 9 HE3 MET 1 2HE MET 1 17.659 0.862 -6.557 10 H LYS 2 H LYS 2 14.957 -2.355 -9.898 11 HA LYS 2 HA LYS 2 12.617 -0.966 -9.706 12 HB2 LYS 2 1HB LYS 2 12.442 -1.270 -12.259 13 HB3 LYS 2 2HB LYS 2 12.313 -3.009 -11.957 14 HG2 LYS 2 1HG LYS 2 10.310 -2.564 -10.491 15 HG3 LYS 2 2HG LYS 2 10.513 -0.836 -10.756 16 HD2 LYS 2 1HD LYS 2 8.725 -1.510 -12.110 17 HD3 LYS 2 2HD LYS 2 10.083 -1.188 -13.206 18 HE2 LYS 2 1HE LYS 2 10.510 -3.578 -13.456 19 HE3 LYS 2 2HE LYS 2 9.409 -3.952 -12.129 20 HZ1 LYS 2 3HZ LYS 2 8.458 -4.415 -14.251 21 HZ2 LYS 2 1HZ LYS 2 7.551 -3.308 -13.456 22 HZ3 LYS 2 2HZ LYS 2 8.499 -2.840 -14.715 23 H MET 3 H MET 3 11.628 -2.017 -8.046 24 HA MET 3 HA MET 3 12.075 -4.887 -7.613 25 HB2 MET 3 1HB MET 3 13.861 -4.031 -6.355 26 HB3 MET 3 2HB MET 3 12.968 -2.605 -5.833 27 HG2 MET 3 1HG MET 3 11.785 -3.761 -4.192 28 HG3 MET 3 2HG MET 3 12.091 -5.341 -4.921 29 HE1 MET 3 3HE MET 3 15.869 -3.424 -3.159 30 HE2 MET 3 1HE MET 3 15.586 -3.721 -4.883 31 HE3 MET 3 2HE MET 3 14.641 -2.493 -4.035 32 H LYS 4 H LYS 4 10.461 -5.739 -6.026 33 HA LYS 4 HA LYS 4 8.821 -3.704 -4.839 34 HB2 LYS 4 1HB LYS 4 7.366 -4.066 -6.692 35 HB3 LYS 4 2HB LYS 4 7.673 -5.816 -6.687 36 HG2 LYS 4 1HG LYS 4 6.318 -6.179 -4.779 37 HG3 LYS 4 2HG LYS 4 6.122 -4.454 -4.464 38 HD2 LYS 4 1HD LYS 4 5.260 -5.612 -7.121 39 HD3 LYS 4 2HD LYS 4 4.214 -5.754 -5.716 40 HE2 LYS 4 1HE LYS 4 4.126 -3.353 -5.464 41 HE3 LYS 4 2HE LYS 4 5.419 -3.126 -6.650 42 HZ1 LYS 4 3HZ LYS 4 3.235 -2.681 -7.549 43 HZ2 LYS 4 1HZ LYS 4 4.020 -3.803 -8.371 44 HZ3 LYS 4 2HZ LYS 4 2.795 -4.275 -7.376 45 H LYS 5 H LYS 5 8.018 -4.381 -2.872 46 HA LYS 5 HA LYS 5 8.316 -7.219 -2.189 47 HB2 LYS 5 1HB LYS 5 9.210 -5.056 -0.180 48 HB3 LYS 5 2HB LYS 5 9.079 -6.779 0.044 49 HG2 LYS 5 1HG LYS 5 10.811 -5.954 -2.242 50 HG3 LYS 5 2HG LYS 5 11.367 -5.535 -0.675 51 HD2 LYS 5 1HD LYS 5 11.335 -7.884 0.005 52 HD3 LYS 5 2HD LYS 5 10.535 -8.346 -1.492 53 HE2 LYS 5 1HE LYS 5 13.248 -6.971 -1.380 54 HE3 LYS 5 2HE LYS 5 13.081 -8.728 -1.367 55 HZ1 LYS 5 3HZ LYS 5 12.217 -8.737 -3.518 56 HZ2 LYS 5 1HZ LYS 5 11.911 -7.122 -3.555 57 HZ3 LYS 5 2HZ LYS 5 13.462 -7.709 -3.614 58 H TYR 6 H TYR 6 7.001 -7.562 -0.108 59 HA TYR 6 HA TYR 6 4.421 -6.089 -0.210 60 HB2 TYR 6 1HB TYR 6 5.009 -9.071 -0.261 61 HB3 TYR 6 2HB TYR 6 3.398 -8.422 -0.145 62 HD1 TYR 6 2HD TYR 6 6.372 -8.714 -2.420 63 HD2 TYR 6 1HD TYR 6 2.140 -7.961 -2.114 64 HE1 TYR 6 2HE TYR 6 6.210 -8.697 -4.853 65 HE2 TYR 6 1HE TYR 6 1.935 -8.063 -4.555 66 HH TYR 6 HH TYR 6 3.028 -8.580 -6.523 67 H THR 7 H THR 7 2.979 -6.862 1.799 68 HA THR 7 HA THR 7 4.726 -7.472 4.099 69 HB THR 7 HB THR 7 3.784 -5.804 5.413 70 HG1 THR 7 1HG THR 7 2.088 -4.379 4.323 71 HG21 THR 7 3HG2 THR 7 4.146 -4.323 2.802 72 HG22 THR 7 1HG2 THR 7 4.426 -3.787 4.485 73 HG23 THR 7 2HG2 THR 7 5.489 -4.980 3.756 74 H LYS 8 H LYS 8 3.127 -7.565 6.021 75 HA LYS 8 HA LYS 8 1.803 -10.115 5.571 76 HB2 LYS 8 1HB LYS 8 1.939 -8.755 8.275 77 HB3 LYS 8 2HB LYS 8 1.898 -10.439 7.877 78 HG2 LYS 8 1HG LYS 8 4.253 -10.157 6.895 79 HG3 LYS 8 2HG LYS 8 4.221 -8.490 7.479 80 HD2 LYS 8 1HD LYS 8 5.433 -9.813 9.058 81 HD3 LYS 8 2HD LYS 8 3.905 -9.314 9.816 82 HE2 LYS 8 1HE LYS 8 3.093 -11.453 9.905 83 HE3 LYS 8 2HE LYS 8 3.666 -11.793 8.270 84 HZ1 LYS 8 3HZ LYS 8 5.273 -11.895 10.760 85 HZ2 LYS 8 1HZ LYS 8 4.853 -13.185 9.886 86 HZ3 LYS 8 2HZ LYS 8 5.937 -12.107 9.290 87 H THR 9 H THR 9 0.800 -6.738 6.132 88 HA THR 9 HA THR 9 -1.991 -7.567 6.404 89 HB THR 9 HB THR 9 -0.825 -5.584 7.529 90 HG1 THR 9 1HG THR 9 -3.411 -5.446 6.439 91 HG21 THR 9 3HG2 THR 9 0.002 -4.444 5.498 92 HG22 THR 9 1HG2 THR 9 -1.680 -4.122 5.015 93 HG23 THR 9 2HG2 THR 9 -1.026 -3.422 6.498 94 H HIS 10 H HIS 10 -0.231 -8.184 3.911 95 HA HIS 10 HA HIS 10 -0.613 -8.646 1.764 96 HB2 HIS 10 1HB HIS 10 -3.495 -7.806 1.923 97 HB3 HIS 10 2HB HIS 10 -2.752 -9.072 0.953 98 HD1 HIS 10 1HD HIS 10 -2.038 -11.406 2.428 99 HD2 HIS 10 2HD HIS 10 -4.454 -8.419 4.234 100 HE1 HIS 10 1HE HIS 10 -3.284 -12.521 4.342 101 HE2 HIS 10 2HE HIS 10 -4.680 -10.694 5.502 102 H GLU 11 H GLU 11 0.749 -6.527 1.889 103 HA GLU 11 HA GLU 11 -0.481 -4.433 0.156 104 HB2 GLU 11 1HB GLU 11 1.899 -4.436 2.017 105 HB3 GLU 11 2HB GLU 11 1.554 -3.149 0.922 106 HG2 GLU 11 1HG GLU 11 -0.628 -2.726 1.985 107 HG3 GLU 11 2HG GLU 11 -0.321 -4.049 3.127 108 H TRP 12 H TRP 12 0.995 -3.502 -1.422 109 HA TRP 12 HA TRP 12 3.374 -5.117 -2.161 110 HB2 TRP 12 1HB TRP 12 2.778 -4.681 -4.522 111 HB3 TRP 12 2HB TRP 12 1.641 -5.738 -3.720 112 HD1 TRP 12 HD TRP 12 -0.824 -5.048 -3.751 113 HE1 TRP 12 1HE TRP 12 -2.193 -3.110 -4.714 114 HE3 TRP 12 3HE TRP 12 3.000 -1.813 -4.895 115 HZ2 TRP 12 2HZ TRP 12 -1.651 -0.707 -6.097 116 HZ3 TRP 12 3HZ TRP 12 2.503 0.303 -5.996 117 HH2 TRP 12 HH TRP 12 0.178 0.903 -6.620 118 H VAL 13 H VAL 13 5.077 -3.780 -2.943 119 HA VAL 13 HA VAL 13 4.855 -0.808 -2.555 120 HB VAL 13 HB VAL 13 7.192 -2.666 -1.822 121 HG11 VAL 13 1HG1 VAL 13 6.443 0.079 -0.826 122 HG12 VAL 13 2HG1 VAL 13 7.797 -0.909 -0.224 123 HG13 VAL 13 3HG1 VAL 13 7.794 -0.388 -1.892 124 HG21 VAL 13 3HG2 VAL 13 5.186 -3.441 -0.406 125 HG22 VAL 13 1HG2 VAL 13 6.641 -2.933 0.438 126 HG23 VAL 13 2HG2 VAL 13 5.259 -1.855 0.355 127 H SER 14 H SER 14 4.840 -0.303 -4.753 128 HA SER 14 HA SER 14 6.481 -1.585 -6.805 129 HB2 SER 14 1HB SER 14 4.668 0.796 -6.577 130 HB3 SER 14 2HB SER 14 5.636 0.570 -8.008 131 HG SER 14 HG SER 14 3.531 -0.327 -8.191 132 H ILE 15 H ILE 15 8.713 -1.286 -6.011 133 HA ILE 15 HA ILE 15 9.629 1.495 -5.708 134 HB ILE 15 HB ILE 15 10.892 -1.228 -5.270 135 HG12 ILE 15 1HG1 ILE 15 9.212 -0.444 -3.615 136 HG13 ILE 15 2HG1 ILE 15 10.780 -0.733 -2.909 137 HG21 ILE 15 1HG2 ILE 15 12.729 0.157 -6.046 138 HG22 ILE 15 2HG2 ILE 15 12.240 1.508 -5.014 139 HG23 ILE 15 3HG2 ILE 15 12.880 0.002 -4.302 140 HD11 ILE 15 3HD1 ILE 15 11.390 1.394 -2.752 141 HD12 ILE 15 1HD1 ILE 15 9.933 1.996 -3.571 142 HD13 ILE 15 2HD1 ILE 15 9.808 1.091 -2.000 143 H GLU 16 H GLU 16 10.514 2.565 -7.352 144 HA GLU 16 HA GLU 16 11.620 1.055 -9.695 145 HB2 GLU 16 1HB GLU 16 10.235 2.705 -11.105 146 HB3 GLU 16 2HB GLU 16 9.468 1.296 -10.382 147 HG2 GLU 16 1HG GLU 16 8.586 2.721 -8.520 148 HG3 GLU 16 2HG GLU 16 9.310 4.130 -9.282 149 H ASP 17 H ASP 17 11.892 3.802 -7.665 150 HA ASP 17 HA ASP 17 14.578 4.055 -8.616 151 HB2 ASP 17 1HB ASP 17 13.674 5.910 -9.957 152 HB3 ASP 17 2HB ASP 17 12.790 6.530 -8.596 153 H LYS 18 H LYS 18 13.489 6.593 -6.731 154 HA LYS 18 HA LYS 18 13.869 5.119 -4.158 155 HB2 LYS 18 1HB LYS 18 14.198 8.059 -4.832 156 HB3 LYS 18 2HB LYS 18 14.418 7.359 -3.219 157 HG2 LYS 18 1HG LYS 18 16.245 5.914 -4.044 158 HG3 LYS 18 2HG LYS 18 15.995 6.531 -5.685 159 HD2 LYS 18 1HD LYS 18 16.390 8.889 -4.629 160 HD3 LYS 18 2HD LYS 18 17.131 7.980 -3.287 161 HE2 LYS 18 1HE LYS 18 18.759 6.975 -4.745 162 HE3 LYS 18 2HE LYS 18 17.813 7.421 -6.178 163 HZ1 LYS 18 3HZ LYS 18 19.686 8.831 -5.977 164 HZ2 LYS 18 1HZ LYS 18 18.307 9.675 -5.881 165 HZ3 LYS 18 2HZ LYS 18 19.200 9.406 -4.506 166 H VAL 19 H VAL 19 11.303 5.778 -5.966 167 HA VAL 19 HA VAL 19 9.669 6.419 -3.578 168 HB VAL 19 HB VAL 19 9.058 7.023 -6.489 169 HG11 VAL 19 1HG1 VAL 19 7.264 7.306 -4.032 170 HG12 VAL 19 2HG1 VAL 19 6.930 8.012 -5.630 171 HG13 VAL 19 3HG1 VAL 19 6.977 6.257 -5.440 172 HG21 VAL 19 3HG2 VAL 19 10.478 8.736 -5.394 173 HG22 VAL 19 1HG2 VAL 19 8.837 9.360 -5.610 174 HG23 VAL 19 2HG2 VAL 19 9.355 8.796 -4.012 175 H ALA 20 H ALA 20 8.072 5.001 -3.115 176 HA ALA 20 HA ALA 20 7.662 2.618 -4.862 177 HB1 ALA 20 1HB ALA 20 6.420 2.195 -2.335 178 HB2 ALA 20 2HB ALA 20 7.701 1.301 -3.167 179 HB3 ALA 20 3HB ALA 20 8.107 2.641 -2.045 180 H THR 21 H THR 21 5.646 2.450 -5.629 181 HA THR 21 HA THR 21 3.503 4.159 -4.468 182 HB THR 21 HB THR 21 3.193 2.152 -6.725 183 HG1 THR 21 1HG THR 21 4.079 3.527 -7.941 184 HG21 THR 21 3HG2 THR 21 1.084 2.765 -5.653 185 HG22 THR 21 1HG2 THR 21 1.469 4.485 -5.807 186 HG23 THR 21 2HG2 THR 21 1.211 3.528 -7.256 187 H VAL 22 H VAL 22 2.230 3.525 -2.999 188 HA VAL 22 HA VAL 22 2.227 0.884 -1.843 189 HB VAL 22 HB VAL 22 1.242 3.595 -0.832 190 HG11 VAL 22 1HG1 VAL 22 1.201 2.800 1.351 191 HG12 VAL 22 2HG1 VAL 22 0.384 1.563 0.414 192 HG13 VAL 22 3HG1 VAL 22 2.066 1.329 0.957 193 HG21 VAL 22 3HG2 VAL 22 3.581 3.935 -1.182 194 HG22 VAL 22 1HG2 VAL 22 3.411 3.576 0.540 195 HG23 VAL 22 2HG2 VAL 22 3.994 2.325 -0.554 196 H GLY 23 H GLY 23 0.577 -0.470 -1.981 197 HA2 GLY 23 1HA GLY 23 -2.141 0.450 -1.789 198 HA3 GLY 23 2HA GLY 23 -1.834 -0.317 -3.327 199 H ILE 24 H ILE 24 -3.627 -1.596 -1.805 200 HA ILE 24 HA ILE 24 -2.253 -3.785 -0.360 201 HB ILE 24 HB ILE 24 -4.575 -4.523 0.209 202 HG12 ILE 24 1HG1 ILE 24 -5.416 -1.669 -0.428 203 HG13 ILE 24 2HG1 ILE 24 -5.704 -2.997 -1.558 204 HG21 ILE 24 1HG2 ILE 24 -4.678 -2.927 2.115 205 HG22 ILE 24 2HG2 ILE 24 -3.028 -3.432 1.776 206 HG23 ILE 24 3HG2 ILE 24 -3.591 -1.826 1.253 207 HD11 ILE 24 3HD1 ILE 24 -7.631 -2.360 0.054 208 HD12 ILE 24 1HD1 ILE 24 -7.248 -4.061 -0.139 209 HD13 ILE 24 2HD1 ILE 24 -6.711 -3.181 1.307 210 H THR 25 H THR 25 -2.488 -5.996 -1.107 211 HA THR 25 HA THR 25 -2.748 -6.198 -4.006 212 HB THR 25 HB THR 25 -2.353 -8.629 -3.555 213 HG1 THR 25 1HG THR 25 -1.883 -9.336 -1.643 214 HG21 THR 25 3HG2 THR 25 -0.022 -8.427 -2.754 215 HG22 THR 25 1HG2 THR 25 -0.395 -7.190 -3.944 216 HG23 THR 25 2HG2 THR 25 -0.341 -6.772 -2.201 217 H ASN 26 H ASN 26 -4.107 -7.625 -5.027 218 HA ASN 26 HA ASN 26 -6.980 -7.559 -4.870 219 HB2 ASN 26 1HB ASN 26 -5.132 -7.974 -6.679 220 HB3 ASN 26 2HB ASN 26 -5.118 -9.641 -6.172 221 HD21 ASN 26 1HD2 ASN 26 -7.755 -7.244 -6.944 222 HD22 ASN 26 2HD2 ASN 26 -8.515 -8.265 -8.092 223 H HIS 27 H HIS 27 -5.608 -8.796 -2.740 224 HA HIS 27 HA HIS 27 -7.447 -11.185 -2.218 225 HB2 HIS 27 1HB HIS 27 -4.814 -11.451 -2.056 226 HB3 HIS 27 2HB HIS 27 -4.944 -10.499 -0.584 227 HD1 HIS 27 1HD HIS 27 -5.663 -13.955 -2.037 228 HD2 HIS 27 2HD HIS 27 -6.181 -11.722 1.541 229 HE1 HIS 27 1HE HIS 27 -6.323 -15.630 -0.181 230 HE2 HIS 27 2HE HIS 27 -6.646 -14.257 1.961 231 H ALA 28 H ALA 28 -6.297 -8.091 -0.941 232 HA ALA 28 HA ALA 28 -7.643 -8.198 1.629 233 HB1 ALA 28 1HB ALA 28 -5.547 -7.006 1.076 234 HB2 ALA 28 2HB ALA 28 -6.429 -6.094 -0.179 235 HB3 ALA 28 3HB ALA 28 -6.786 -5.813 1.558 236 H GLN 29 H GLN 29 -8.203 -6.318 -1.346 237 HA GLN 29 HA GLN 29 -10.340 -4.703 -0.706 238 HB2 GLN 29 1HB GLN 29 -10.601 -4.574 -3.166 239 HB3 GLN 29 2HB GLN 29 -8.956 -4.470 -2.658 240 HG2 GLN 29 1HG GLN 29 -10.377 -6.500 -4.355 241 HG3 GLN 29 2HG GLN 29 -8.884 -5.673 -4.588 242 HE21 GLN 29 1HE2 GLN 29 -10.265 -8.463 -3.911 243 HE22 GLN 29 2HE2 GLN 29 -8.946 -9.417 -3.290 244 H GLU 30 H GLU 30 -10.450 -8.206 -1.874 245 HA GLU 30 HA GLU 30 -13.095 -8.571 -2.014 246 HB2 GLU 30 1HB GLU 30 -10.844 -10.024 -2.231 247 HB3 GLU 30 2HB GLU 30 -11.301 -10.656 -0.718 248 HG2 GLU 30 1HG GLU 30 -12.601 -10.773 -3.432 249 HG3 GLU 30 2HG GLU 30 -12.198 -12.028 -2.311 250 H GLN 31 H GLN 31 -11.085 -8.690 0.958 251 HA GLN 31 HA GLN 31 -13.138 -9.661 2.713 252 HB2 GLN 31 1HB GLN 31 -10.514 -8.254 3.323 253 HB3 GLN 31 2HB GLN 31 -11.496 -9.149 4.481 254 HG2 GLN 31 1HG GLN 31 -10.977 -11.241 3.512 255 HG3 GLN 31 2HG GLN 31 -10.507 -10.518 1.979 256 HE21 GLN 31 1HE2 GLN 31 -9.306 -9.411 5.205 257 HE22 GLN 31 2HE2 GLN 31 -7.655 -9.791 4.869 258 H LEU 32 H LEU 32 -12.296 -6.440 1.562 259 HA LEU 32 HA LEU 32 -14.072 -5.175 3.598 260 HB2 LEU 32 1HB LEU 32 -12.480 -3.964 1.302 261 HB3 LEU 32 2HB LEU 32 -13.562 -3.102 2.371 262 HG LEU 32 HG LEU 32 -10.835 -4.173 2.910 263 HD11 LEU 32 1HD1 LEU 32 -12.300 -1.688 3.875 264 HD12 LEU 32 2HD1 LEU 32 -10.578 -2.023 4.039 265 HD13 LEU 32 3HD1 LEU 32 -11.274 -1.788 2.426 266 HD21 LEU 32 3HD2 LEU 32 -12.908 -3.931 5.120 267 HD22 LEU 32 1HD2 LEU 32 -11.953 -5.376 4.684 268 HD23 LEU 32 2HD2 LEU 32 -11.169 -3.965 5.397 269 H GLY 33 H GLY 33 -14.030 -6.156 0.216 270 HA2 GLY 33 1HA GLY 33 -15.621 -6.395 -1.329 271 HA3 GLY 33 2HA GLY 33 -16.889 -6.025 -0.141 272 H ASP 34 H ASP 34 -18.008 -4.396 -1.021 273 HA ASP 34 HA ASP 34 -16.997 -2.414 -2.832 274 HB2 ASP 34 1HB ASP 34 -19.536 -2.138 -1.168 275 HB3 ASP 34 2HB ASP 34 -19.149 -1.373 -2.693 276 H VAL 35 H VAL 35 -15.573 -0.878 -2.161 277 HA VAL 35 HA VAL 35 -15.774 0.152 0.589 278 HB VAL 35 HB VAL 35 -13.761 1.278 -1.333 279 HG11 VAL 35 1HG1 VAL 35 -12.574 1.752 0.654 280 HG12 VAL 35 2HG1 VAL 35 -14.237 1.893 1.252 281 HG13 VAL 35 3HG1 VAL 35 -13.339 0.437 1.564 282 HG21 VAL 35 3HG2 VAL 35 -13.344 -1.083 -1.673 283 HG22 VAL 35 1HG2 VAL 35 -12.117 -0.397 -0.591 284 HG23 VAL 35 2HG2 VAL 35 -13.440 -1.387 0.080 285 H VAL 36 H VAL 36 -14.994 2.760 0.120 286 HA VAL 36 HA VAL 36 -17.238 4.244 -0.855 287 HB VAL 36 HB VAL 36 -17.870 2.486 1.031 288 HG11 VAL 36 1HG1 VAL 36 -16.940 4.595 2.895 289 HG12 VAL 36 2HG1 VAL 36 -17.891 3.139 3.266 290 HG13 VAL 36 3HG1 VAL 36 -16.260 2.965 2.595 291 HG21 VAL 36 3HG2 VAL 36 -19.692 3.833 1.779 292 HG22 VAL 36 1HG2 VAL 36 -18.885 5.312 1.205 293 HG23 VAL 36 2HG2 VAL 36 -19.438 4.074 0.040 294 H TYR 37 H TYR 37 -14.588 3.677 1.570 295 HA TYR 37 HA TYR 37 -13.602 6.373 0.880 296 HB2 TYR 37 1HB TYR 37 -15.343 6.649 2.675 297 HB3 TYR 37 2HB TYR 37 -14.336 5.677 3.742 298 HD1 TYR 37 2HD TYR 37 -13.963 8.649 1.416 299 HD2 TYR 37 1HD TYR 37 -12.736 6.739 5.083 300 HE1 TYR 37 2HE TYR 37 -12.312 10.454 1.801 301 HE2 TYR 37 1HE TYR 37 -11.048 8.468 5.440 302 HH TYR 37 HH TYR 37 -10.195 10.441 4.713 303 H VAL 38 H VAL 38 -11.528 6.887 1.428 304 HA VAL 38 HA VAL 38 -9.863 5.051 2.920 305 HB VAL 38 HB VAL 38 -8.724 4.098 1.245 306 HG11 VAL 38 1HG1 VAL 38 -10.856 3.708 0.170 307 HG12 VAL 38 2HG1 VAL 38 -10.800 5.303 -0.625 308 HG13 VAL 38 3HG1 VAL 38 -9.670 4.052 -1.073 309 HG21 VAL 38 3HG2 VAL 38 -7.323 6.030 0.818 310 HG22 VAL 38 1HG2 VAL 38 -7.699 5.247 -0.695 311 HG23 VAL 38 2HG2 VAL 38 -8.564 6.722 -0.262 312 H ASP 39 H ASP 39 -8.311 5.870 3.860 313 HA ASP 39 HA ASP 39 -8.142 8.775 4.006 314 HB2 ASP 39 1HB ASP 39 -8.547 7.501 6.208 315 HB3 ASP 39 2HB ASP 39 -7.340 6.374 5.739 316 H LEU 40 H LEU 40 -6.159 9.850 3.824 317 HA LEU 40 HA LEU 40 -3.883 8.277 2.737 318 HB2 LEU 40 1HB LEU 40 -5.234 10.652 1.382 319 HB3 LEU 40 2HB LEU 40 -3.646 10.050 0.967 320 HG LEU 40 HG LEU 40 -5.097 9.319 -0.657 321 HD11 LEU 40 1HD1 LEU 40 -3.458 7.626 0.043 322 HD12 LEU 40 2HD1 LEU 40 -4.717 6.851 1.017 323 HD13 LEU 40 3HD1 LEU 40 -4.909 6.955 -0.733 324 HD21 LEU 40 3HD2 LEU 40 -7.166 9.715 0.302 325 HD22 LEU 40 1HD2 LEU 40 -7.039 8.259 -0.672 326 HD23 LEU 40 2HD2 LEU 40 -7.084 8.161 1.125 327 HA PRO 41 HA PRO 41 -1.924 11.155 5.410 328 HB2 PRO 41 1HB PRO 41 0.699 10.687 4.823 329 HB3 PRO 41 2HB PRO 41 -0.359 9.535 5.689 330 HG2 PRO 41 1HG PRO 41 0.475 9.446 2.793 331 HG3 PRO 41 2HG PRO 41 0.215 8.121 3.972 332 HD2 PRO 41 1HD PRO 41 -1.601 8.955 2.035 333 HD3 PRO 41 2HD PRO 41 -1.963 7.979 3.486 334 H GLU 42 H GLU 42 -0.088 12.924 5.300 335 HA GLU 42 HA GLU 42 -0.693 14.743 3.081 336 HB2 GLU 42 1HB GLU 42 -0.458 15.384 5.570 337 HB3 GLU 42 2HB GLU 42 1.269 15.131 5.356 338 HG2 GLU 42 1HG GLU 42 0.455 16.784 3.161 339 HG3 GLU 42 2HG GLU 42 -0.430 17.365 4.570 340 H VAL 43 H VAL 43 0.899 15.536 1.622 341 HA VAL 43 HA VAL 43 2.538 13.543 0.553 342 HB VAL 43 HB VAL 43 1.000 15.466 -0.373 343 HG11 VAL 43 1HG1 VAL 43 2.053 17.394 -1.246 344 HG12 VAL 43 2HG1 VAL 43 2.552 17.286 0.461 345 HG13 VAL 43 3HG1 VAL 43 3.670 16.807 -0.836 346 HG21 VAL 43 3HG2 VAL 43 1.951 13.692 -1.716 347 HG22 VAL 43 1HG2 VAL 43 1.928 15.231 -2.591 348 HG23 VAL 43 2HG2 VAL 43 3.452 14.653 -1.915 349 H GLY 44 H GLY 44 3.508 14.685 3.038 350 HA2 GLY 44 1HA GLY 44 6.369 14.640 2.509 351 HA3 GLY 44 2HA GLY 44 5.828 16.174 3.196 352 H ARG 45 H ARG 45 3.823 13.648 4.317 353 HA ARG 45 HA ARG 45 4.659 13.953 7.058 354 HB2 ARG 45 1HB ARG 45 2.357 13.389 6.334 355 HB3 ARG 45 2HB ARG 45 2.924 11.862 5.657 356 HG2 ARG 45 1HG ARG 45 3.493 11.056 7.926 357 HG3 ARG 45 2HG ARG 45 2.956 12.602 8.621 358 HD2 ARG 45 1HD ARG 45 0.693 12.223 7.656 359 HD3 ARG 45 2HD ARG 45 1.261 10.686 6.975 360 HE ARG 45 HE ARG 45 1.735 10.436 9.691 361 HH11 ARG 45 2HH2 ARG 45 -1.232 11.148 7.772 362 HH12 ARG 45 1HH2 ARG 45 -2.144 9.909 8.539 363 HH21 ARG 45 2HH1 ARG 45 0.341 9.242 10.992 364 HH22 ARG 45 1HH1 ARG 45 -1.379 9.178 10.670 365 H GLU 46 H GLU 46 6.079 12.575 8.325 366 HA GLU 46 HA GLU 46 7.631 10.587 6.815 367 HB2 GLU 46 1HB GLU 46 7.811 11.799 9.620 368 HB3 GLU 46 2HB GLU 46 8.814 10.466 9.017 369 HG2 GLU 46 1HG GLU 46 9.269 12.040 6.989 370 HG3 GLU 46 2HG GLU 46 8.633 13.303 7.992 371 H VAL 47 H VAL 47 7.475 8.420 7.350 372 HA VAL 47 HA VAL 47 5.352 7.573 9.237 373 HB VAL 47 HB VAL 47 4.344 6.079 7.646 374 HG11 VAL 47 1HG1 VAL 47 3.552 8.465 7.848 375 HG12 VAL 47 2HG1 VAL 47 4.457 8.842 6.376 376 HG13 VAL 47 3HG1 VAL 47 3.126 7.667 6.322 377 HG21 VAL 47 3HG2 VAL 47 6.131 7.264 5.479 378 HG22 VAL 47 1HG2 VAL 47 6.283 5.624 6.147 379 HG23 VAL 47 2HG2 VAL 47 4.827 6.079 5.257 380 H LYS 48 H LYS 48 5.404 5.048 9.478 381 HA LYS 48 HA LYS 48 8.164 4.075 9.269 382 HB2 LYS 48 1HB LYS 48 6.304 4.091 11.658 383 HB3 LYS 48 2HB LYS 48 7.529 2.833 11.463 384 HG2 LYS 48 1HG LYS 48 9.298 4.536 11.202 385 HG3 LYS 48 2HG LYS 48 8.100 5.816 11.427 386 HD2 LYS 48 1HD LYS 48 8.714 3.653 13.488 387 HD3 LYS 48 2HD LYS 48 9.511 5.229 13.446 388 HE2 LYS 48 1HE LYS 48 6.507 4.784 13.768 389 HE3 LYS 48 2HE LYS 48 7.647 5.150 15.074 390 HZ1 LYS 48 3HZ LYS 48 8.147 7.250 13.824 391 HZ2 LYS 48 1HZ LYS 48 6.889 6.903 12.821 392 HZ3 LYS 48 2HZ LYS 48 6.599 7.141 14.393 393 H LYS 49 H LYS 49 8.329 1.831 9.169 394 HA LYS 49 HA LYS 49 6.622 0.514 7.439 395 HB2 LYS 49 1HB LYS 49 8.323 -0.949 7.305 396 HB3 LYS 49 2HB LYS 49 9.171 0.230 8.234 397 HG2 LYS 49 1HG LYS 49 9.753 -1.475 9.561 398 HG3 LYS 49 2HG LYS 49 8.119 -1.419 10.219 399 HD2 LYS 49 1HD LYS 49 7.528 -2.993 8.173 400 HD3 LYS 49 2HD LYS 49 9.263 -3.185 7.996 401 HE2 LYS 49 1HE LYS 49 8.020 -3.576 10.719 402 HE3 LYS 49 2HE LYS 49 7.708 -4.801 9.489 403 HZ1 LYS 49 3HZ LYS 49 9.651 -5.304 10.846 404 HZ2 LYS 49 1HZ LYS 49 10.039 -5.143 9.252 405 HZ3 LYS 49 2HZ LYS 49 10.429 -3.953 10.313 406 H GLY 50 H GLY 50 5.291 1.226 10.079 407 HA2 GLY 50 1HA GLY 50 3.350 -0.765 10.005 408 HA3 GLY 50 2HA GLY 50 4.310 -1.042 11.485 409 H GLU 51 H GLU 51 2.789 1.714 9.635 410 HA GLU 51 HA GLU 51 1.835 2.855 12.201 411 HB2 GLU 51 1HB GLU 51 4.052 3.802 11.467 412 HB3 GLU 51 2HB GLU 51 3.269 4.411 10.002 413 HG2 GLU 51 1HG GLU 51 1.829 5.869 11.315 414 HG3 GLU 51 2HG GLU 51 2.336 5.086 12.825 415 H VAL 52 H VAL 52 -0.278 3.734 11.943 416 HA VAL 52 HA VAL 52 -1.666 2.898 9.499 417 HB VAL 52 HB VAL 52 -2.793 3.974 12.132 418 HG11 VAL 52 1HG1 VAL 52 -4.964 3.253 11.188 419 HG12 VAL 52 2HG1 VAL 52 -4.252 4.588 10.301 420 HG13 VAL 52 3HG1 VAL 52 -4.163 2.952 9.622 421 HG21 VAL 52 3HG2 VAL 52 -1.848 1.759 12.423 422 HG22 VAL 52 1HG2 VAL 52 -3.609 1.683 12.433 423 HG23 VAL 52 2HG2 VAL 52 -2.714 1.185 10.975 424 H VAL 53 H VAL 53 -1.535 4.284 7.906 425 HA VAL 53 HA VAL 53 -1.950 7.189 8.415 426 HB VAL 53 HB VAL 53 -0.042 7.646 6.892 427 HG11 VAL 53 1HG1 VAL 53 0.287 7.321 9.454 428 HG12 VAL 53 2HG1 VAL 53 1.033 5.789 9.044 429 HG13 VAL 53 3HG1 VAL 53 1.715 7.291 8.417 430 HG21 VAL 53 3HG2 VAL 53 0.528 4.655 7.119 431 HG22 VAL 53 1HG2 VAL 53 -0.118 5.455 5.655 432 HG23 VAL 53 2HG2 VAL 53 1.491 5.885 6.254 433 H ALA 54 H ALA 54 -3.142 4.521 6.798 434 HA ALA 54 HA ALA 54 -4.435 6.210 4.835 435 HB1 ALA 54 1HB ALA 54 -3.709 4.763 2.916 436 HB2 ALA 54 2HB ALA 54 -2.393 5.677 3.663 437 HB3 ALA 54 3HB ALA 54 -2.567 3.939 4.016 438 H SER 55 H SER 55 -5.670 5.100 6.908 439 HA SER 55 HA SER 55 -6.665 2.466 6.873 440 HB2 SER 55 1HB SER 55 -7.828 5.145 7.648 441 HB3 SER 55 2HB SER 55 -8.610 3.666 8.093 442 HG SER 55 HG SER 55 -7.068 3.311 9.545 443 H ILE 56 H ILE 56 -8.443 1.455 5.942 444 HA ILE 56 HA ILE 56 -9.878 2.923 3.772 445 HB ILE 56 HB ILE 56 -9.295 -0.047 3.858 446 HG12 ILE 56 1HG1 ILE 56 -7.662 1.942 2.344 447 HG13 ILE 56 2HG1 ILE 56 -7.125 1.108 3.794 448 HG21 ILE 56 1HG2 ILE 56 -9.987 0.056 1.496 449 HG22 ILE 56 2HG2 ILE 56 -11.211 0.838 2.489 450 HG23 ILE 56 3HG2 ILE 56 -10.062 1.833 1.578 451 HD11 ILE 56 3HD1 ILE 56 -7.374 -1.078 2.719 452 HD12 ILE 56 1HD1 ILE 56 -7.838 -0.278 1.189 453 HD13 ILE 56 2HD1 ILE 56 -6.223 -0.037 1.850 454 H GLU 57 H GLU 57 -11.910 3.340 4.496 455 HA GLU 57 HA GLU 57 -13.215 1.473 6.417 456 HB2 GLU 57 1HB GLU 57 -13.307 4.429 5.945 457 HB3 GLU 57 2HB GLU 57 -14.892 3.650 6.017 458 HG2 GLU 57 1HG GLU 57 -14.415 4.256 8.238 459 HG3 GLU 57 2HG GLU 57 -14.248 2.517 8.099 460 H SER 58 H SER 58 -14.818 0.187 5.541 461 HA SER 58 HA SER 58 -15.811 0.869 2.795 462 HB2 SER 58 1HB SER 58 -16.213 -1.453 2.406 463 HB3 SER 58 2HB SER 58 -14.552 -1.283 2.965 464 HG SER 58 HG SER 58 -15.761 -3.015 3.939 465 H VAL 59 H VAL 59 -18.082 -0.547 2.702 466 HA VAL 59 HA VAL 59 -19.938 1.203 3.754 467 HB VAL 59 HB VAL 59 -21.552 -0.614 3.141 468 HG11 VAL 59 1HG1 VAL 59 -19.441 0.038 1.046 469 HG12 VAL 59 2HG1 VAL 59 -21.096 -0.521 0.729 470 HG13 VAL 59 3HG1 VAL 59 -20.822 1.052 1.499 471 HG21 VAL 59 3HG2 VAL 59 -20.139 -2.602 3.650 472 HG22 VAL 59 1HG2 VAL 59 -20.804 -2.617 2.019 473 HG23 VAL 59 2HG2 VAL 59 -19.095 -2.187 2.274 474 H LYS 60 H LYS 60 -18.499 -1.626 5.410 475 HA LYS 60 HA LYS 60 -19.503 -0.475 7.797 476 HB2 LYS 60 1HB LYS 60 -21.453 -1.973 6.917 477 HB3 LYS 60 2HB LYS 60 -20.492 -3.337 7.420 478 HG2 LYS 60 1HG LYS 60 -21.039 -3.025 9.600 479 HG3 LYS 60 2HG LYS 60 -20.673 -1.306 9.561 480 HD2 LYS 60 1HD LYS 60 -23.259 -2.555 8.556 481 HD3 LYS 60 2HD LYS 60 -23.037 -1.776 10.127 482 HE2 LYS 60 1HE LYS 60 -22.520 0.356 9.038 483 HE3 LYS 60 2HE LYS 60 -22.663 -0.376 7.439 484 HZ1 LYS 60 3HZ LYS 60 -24.877 -0.287 9.402 485 HZ2 LYS 60 1HZ LYS 60 -24.652 0.829 8.223 486 HZ3 LYS 60 2HZ LYS 60 -24.967 -0.723 7.812 487 H ALA 61 H ALA 61 -16.820 -1.156 6.741 488 HA ALA 61 HA ALA 61 -15.875 -2.563 9.099 489 HB1 ALA 61 1HB ALA 61 -16.194 -4.416 7.424 490 HB2 ALA 61 2HB ALA 61 -15.088 -3.563 6.331 491 HB3 ALA 61 3HB ALA 61 -14.501 -4.177 7.887 492 H ALA 62 H ALA 62 -13.322 -2.674 8.739 493 HA ALA 62 HA ALA 62 -12.264 -0.173 7.585 494 HB1 ALA 62 1HB ALA 62 -11.769 -1.118 10.439 495 HB2 ALA 62 2HB ALA 62 -11.049 0.296 9.649 496 HB3 ALA 62 3HB ALA 62 -12.784 0.270 9.973 497 H ALA 63 H ALA 63 -10.055 -0.503 6.972 498 HA ALA 63 HA ALA 63 -8.498 -2.712 8.116 499 HB1 ALA 63 1HB ALA 63 -7.377 -3.145 5.957 500 HB2 ALA 63 2HB ALA 63 -9.073 -3.642 5.924 501 HB3 ALA 63 3HB ALA 63 -8.560 -2.125 5.126 502 H ASP 64 H ASP 64 -7.008 -1.550 9.211 503 HA ASP 64 HA ASP 64 -6.192 1.161 8.510 504 HB2 ASP 64 1HB ASP 64 -4.319 -0.383 10.199 505 HB3 ASP 64 2HB ASP 64 -5.156 1.113 10.527 506 H VAL 65 H VAL 65 -4.895 1.430 6.693 507 HA VAL 65 HA VAL 65 -3.029 -0.702 5.855 508 HB VAL 65 HB VAL 65 -3.376 2.095 4.835 509 HG11 VAL 65 1HG1 VAL 65 -1.035 1.387 4.497 510 HG12 VAL 65 2HG1 VAL 65 -1.566 -0.158 3.813 511 HG13 VAL 65 3HG1 VAL 65 -1.881 1.361 2.952 512 HG21 VAL 65 3HG2 VAL 65 -3.991 -0.540 3.415 513 HG22 VAL 65 1HG2 VAL 65 -5.196 0.365 4.330 514 HG23 VAL 65 2HG2 VAL 65 -4.454 1.119 2.921 515 H TYR 66 H TYR 66 -1.638 -1.011 7.450 516 HA TYR 66 HA TYR 66 -0.166 1.113 8.771 517 HB2 TYR 66 1HB TYR 66 0.720 -1.776 8.351 518 HB3 TYR 66 2HB TYR 66 1.272 -0.648 9.580 519 HD1 TYR 66 1HD TYR 66 -0.358 0.083 11.410 520 HD2 TYR 66 2HD TYR 66 -1.240 -3.142 8.680 521 HE1 TYR 66 1HE TYR 66 -2.121 -0.767 12.963 522 HE2 TYR 66 2HE TYR 66 -3.001 -3.943 10.142 523 HH TYR 66 HH TYR 66 -4.499 -2.457 12.171 524 H ALA 67 H ALA 67 1.386 2.305 7.698 525 HA ALA 67 HA ALA 67 2.163 2.034 5.050 526 HB1 ALA 67 1HB ALA 67 4.306 3.300 5.892 527 HB2 ALA 67 2HB ALA 67 2.722 4.075 6.033 528 HB3 ALA 67 3HB ALA 67 3.463 3.319 7.453 529 HA PRO 68 HA PRO 68 4.421 -1.680 5.387 530 HB2 PRO 68 1HB PRO 68 5.482 -1.890 2.828 531 HB3 PRO 68 2HB PRO 68 3.758 -2.098 3.229 532 HG2 PRO 68 1HG PRO 68 5.045 0.229 1.960 533 HG3 PRO 68 2HG PRO 68 3.404 -0.466 1.792 534 HD2 PRO 68 1HD PRO 68 3.935 1.785 3.328 535 HD3 PRO 68 2HD PRO 68 2.524 0.719 3.459 536 H LEU 69 H LEU 69 6.325 1.100 4.270 537 HA LEU 69 HA LEU 69 8.804 -0.023 5.501 538 HB2 LEU 69 1HB LEU 69 8.477 1.487 2.907 539 HB3 LEU 69 2HB LEU 69 9.966 1.569 3.790 540 HG LEU 69 HG LEU 69 10.056 0.053 1.948 541 HD11 LEU 69 1HD1 LEU 69 10.435 -1.332 4.638 542 HD12 LEU 69 2HD1 LEU 69 11.194 -1.823 3.108 543 HD13 LEU 69 3HD1 LEU 69 11.585 -0.255 3.828 544 HD21 LEU 69 3HD2 LEU 69 8.996 -2.046 1.754 545 HD22 LEU 69 1HD2 LEU 69 8.317 -1.959 3.377 546 HD23 LEU 69 2HD2 LEU 69 7.706 -0.878 2.104 547 H SER 70 H SER 70 10.182 1.748 6.364 548 HA SER 70 HA SER 70 8.680 4.132 7.212 549 HB2 SER 70 1HB SER 70 11.571 3.288 7.699 550 HB3 SER 70 2HB SER 70 10.725 4.635 8.459 551 HG SER 70 HG SER 70 10.739 2.056 9.233 552 H GLY 71 H GLY 71 9.479 6.257 6.559 553 HA2 GLY 71 1HA GLY 71 11.125 7.041 4.531 554 HA3 GLY 71 2HA GLY 71 9.810 6.187 3.681 555 H LYS 72 H LYS 72 9.503 8.485 2.860 556 HA LYS 72 HA LYS 72 7.658 9.919 4.710 557 HB2 LYS 72 1HB LYS 72 9.630 11.515 3.123 558 HB3 LYS 72 2HB LYS 72 8.719 11.961 4.546 559 HG2 LYS 72 1HG LYS 72 10.156 10.337 5.876 560 HG3 LYS 72 2HG LYS 72 11.129 10.065 4.429 561 HD2 LYS 72 1HD LYS 72 10.798 12.802 5.700 562 HD3 LYS 72 2HD LYS 72 12.084 11.652 6.094 563 HE2 LYS 72 1HE LYS 72 12.723 11.651 3.651 564 HE3 LYS 72 2HE LYS 72 11.502 12.919 3.395 565 HZ1 LYS 72 3HZ LYS 72 13.845 13.112 5.199 566 HZ2 LYS 72 1HZ LYS 72 13.615 13.936 3.775 567 HZ3 LYS 72 2HZ LYS 72 12.680 14.228 5.106 568 H ILE 73 H ILE 73 5.883 10.712 3.702 569 HA ILE 73 HA ILE 73 5.157 9.453 1.226 570 HB ILE 73 HB ILE 73 3.857 11.706 2.749 571 HG12 ILE 73 1HG1 ILE 73 4.066 10.031 4.400 572 HG13 ILE 73 2HG1 ILE 73 2.444 9.906 3.819 573 HG21 ILE 73 1HG2 ILE 73 2.504 9.657 0.921 574 HG22 ILE 73 2HG2 ILE 73 1.721 10.988 1.803 575 HG23 ILE 73 3HG2 ILE 73 2.821 11.345 0.503 576 HD11 ILE 73 3HD1 ILE 73 3.160 7.674 3.989 577 HD12 ILE 73 1HD1 ILE 73 3.343 8.035 2.265 578 HD13 ILE 73 2HD1 ILE 73 4.763 8.036 3.326 579 H VAL 74 H VAL 74 4.731 10.467 -0.833 580 HA VAL 74 HA VAL 74 5.288 13.311 -1.113 581 HB VAL 74 HB VAL 74 6.873 12.944 -3.039 582 HG11 VAL 74 1HG1 VAL 74 8.897 12.589 -1.861 583 HG12 VAL 74 2HG1 VAL 74 7.790 13.474 -0.804 584 HG13 VAL 74 3HG1 VAL 74 8.078 11.739 -0.534 585 HG21 VAL 74 3HG2 VAL 74 8.004 10.832 -3.395 586 HG22 VAL 74 1HG2 VAL 74 7.054 10.045 -2.115 587 HG23 VAL 74 2HG2 VAL 74 6.269 10.606 -3.608 588 H GLU 75 H GLU 75 3.174 10.722 -1.864 589 HA GLU 75 HA GLU 75 1.869 12.579 -3.634 590 HB2 GLU 75 1HB GLU 75 3.452 10.786 -4.977 591 HB3 GLU 75 2HB GLU 75 1.960 9.846 -4.814 592 HG2 GLU 75 1HG GLU 75 0.694 11.567 -5.978 593 HG3 GLU 75 2HG GLU 75 2.121 12.628 -5.990 594 H VAL 76 H VAL 76 -0.454 11.935 -3.870 595 HA VAL 76 HA VAL 76 -1.326 9.495 -2.453 596 HB VAL 76 HB VAL 76 -3.112 10.577 -1.347 597 HG11 VAL 76 1HG1 VAL 76 -2.054 11.969 0.274 598 HG12 VAL 76 2HG1 VAL 76 -0.940 10.653 -0.138 599 HG13 VAL 76 3HG1 VAL 76 -0.667 12.298 -0.772 600 HG21 VAL 76 3HG2 VAL 76 -3.728 12.284 -2.948 601 HG22 VAL 76 1HG2 VAL 76 -3.467 13.034 -1.367 602 HG23 VAL 76 2HG2 VAL 76 -2.227 13.165 -2.641 603 H ASN 77 H ASN 77 -3.687 8.982 -3.112 604 HA ASN 77 HA ASN 77 -4.088 9.683 -5.977 605 HB2 ASN 77 1HB ASN 77 -3.402 7.289 -5.168 606 HB3 ASN 77 2HB ASN 77 -5.006 7.132 -4.631 607 HD21 ASN 77 1HD2 ASN 77 -5.325 5.443 -6.072 608 HD22 ASN 77 2HD2 ASN 77 -5.520 5.604 -7.801 609 H GLU 78 H GLU 78 -5.378 11.600 -5.172 610 HA GLU 78 HA GLU 78 -7.740 11.356 -3.653 611 HB2 GLU 78 1HB GLU 78 -6.795 13.291 -5.801 612 HB3 GLU 78 2HB GLU 78 -8.420 13.396 -5.165 613 HG2 GLU 78 1HG GLU 78 -7.522 13.624 -2.856 614 HG3 GLU 78 2HG GLU 78 -5.890 13.720 -3.536 615 H LYS 79 H LYS 79 -7.121 10.015 -6.632 616 HA LYS 79 HA LYS 79 -9.712 9.972 -7.863 617 HB2 LYS 79 1HB LYS 79 -7.393 8.010 -7.807 618 HB3 LYS 79 2HB LYS 79 -8.844 7.652 -8.718 619 HG2 LYS 79 1HG LYS 79 -8.593 9.748 -10.038 620 HG3 LYS 79 2HG LYS 79 -7.220 10.194 -9.036 621 HD2 LYS 79 1HD LYS 79 -6.072 9.403 -10.820 622 HD3 LYS 79 2HD LYS 79 -6.161 7.953 -9.841 623 HE2 LYS 79 1HE LYS 79 -6.703 7.225 -11.982 624 HE3 LYS 79 2HE LYS 79 -8.266 7.338 -11.171 625 HZ1 LYS 79 3HZ LYS 79 -7.122 9.435 -12.936 626 HZ2 LYS 79 1HZ LYS 79 -8.215 8.297 -13.430 627 HZ3 LYS 79 2HZ LYS 79 -8.647 9.413 -12.314 628 H LEU 80 H LEU 80 -8.448 8.305 -5.007 629 HA LEU 80 HA LEU 80 -10.582 6.352 -4.877 630 HB2 LEU 80 1HB LEU 80 -8.469 7.243 -2.874 631 HB3 LEU 80 2HB LEU 80 -9.581 5.922 -2.611 632 HG LEU 80 HG LEU 80 -6.983 5.714 -3.693 633 HD11 LEU 80 1HD1 LEU 80 -7.581 3.341 -4.047 634 HD12 LEU 80 2HD1 LEU 80 -8.026 3.970 -2.479 635 HD13 LEU 80 3HD1 LEU 80 -9.289 3.745 -3.723 636 HD21 LEU 80 3HD2 LEU 80 -7.714 6.292 -5.999 637 HD22 LEU 80 1HD2 LEU 80 -7.326 4.583 -5.888 638 HD23 LEU 80 2HD2 LEU 80 -9.019 5.088 -5.915 639 H ASP 81 H ASP 81 -10.305 9.710 -3.912 640 HA ASP 81 HA ASP 81 -12.321 9.854 -1.883 641 HB2 ASP 81 1HB ASP 81 -10.529 11.568 -2.445 642 HB3 ASP 81 2HB ASP 81 -11.481 11.981 -3.865 643 H THR 82 H THR 82 -12.653 9.048 -5.132 644 HA THR 82 HA THR 82 -15.525 9.775 -5.073 645 HB THR 82 HB THR 82 -15.557 10.829 -7.073 646 HG1 THR 82 1HG THR 82 -14.624 9.581 -8.433 647 HG21 THR 82 3HG2 THR 82 -14.282 12.318 -5.537 648 HG22 THR 82 1HG2 THR 82 -12.758 11.683 -6.184 649 HG23 THR 82 2HG2 THR 82 -13.862 12.583 -7.238 650 H GLU 83 H GLU 83 -12.902 7.775 -6.377 651 HA GLU 83 HA GLU 83 -14.808 5.638 -7.108 652 HB2 GLU 83 1HB GLU 83 -12.647 7.057 -8.431 653 HB3 GLU 83 2HB GLU 83 -12.375 5.343 -8.569 654 HG2 GLU 83 1HG GLU 83 -15.042 6.575 -9.292 655 HG3 GLU 83 2HG GLU 83 -13.689 6.551 -10.414 656 HA PRO 84 HA PRO 84 -11.845 4.344 -3.640 657 HB2 PRO 84 1HB PRO 84 -13.708 3.519 -1.826 658 HB3 PRO 84 2HB PRO 84 -13.199 5.237 -1.955 659 HG2 PRO 84 1HG PRO 84 -15.661 3.903 -3.117 660 HG3 PRO 84 2HG PRO 84 -15.553 5.498 -2.335 661 HD2 PRO 84 1HD PRO 84 -15.597 5.186 -5.032 662 HD3 PRO 84 2HD PRO 84 -14.671 6.508 -4.277 663 H GLU 85 H GLU 85 -14.552 3.024 -5.350 664 HA GLU 85 HA GLU 85 -14.317 0.258 -4.735 665 HB2 GLU 85 1HB GLU 85 -15.228 1.764 -7.228 666 HB3 GLU 85 2HB GLU 85 -15.452 0.025 -6.994 667 HG2 GLU 85 1HG GLU 85 -16.974 0.386 -5.152 668 HG3 GLU 85 2HG GLU 85 -16.637 2.124 -5.137 669 H LEU 86 H LEU 86 -12.176 2.457 -6.531 670 HA LEU 86 HA LEU 86 -11.318 0.459 -8.362 671 HB2 LEU 86 1HB LEU 86 -10.139 3.122 -7.531 672 HB3 LEU 86 2HB LEU 86 -9.272 2.054 -8.611 673 HG LEU 86 HG LEU 86 -12.015 3.265 -9.101 674 HD11 LEU 86 1HD1 LEU 86 -10.066 4.720 -9.539 675 HD12 LEU 86 2HD1 LEU 86 -9.366 3.467 -10.596 676 HD13 LEU 86 3HD1 LEU 86 -10.895 4.247 -11.047 677 HD21 LEU 86 3HD2 LEU 86 -12.240 1.089 -10.039 678 HD22 LEU 86 1HD2 LEU 86 -11.817 2.150 -11.373 679 HD23 LEU 86 2HD2 LEU 86 -10.554 1.123 -10.682 680 H ILE 87 H ILE 87 -10.520 0.648 -5.049 681 HA ILE 87 HA ILE 87 -8.076 -0.872 -5.361 682 HB ILE 87 HB ILE 87 -9.884 -1.068 -2.944 683 HG12 ILE 87 1HG1 ILE 87 -7.864 1.166 -3.425 684 HG13 ILE 87 2HG1 ILE 87 -9.621 1.382 -3.471 685 HG21 ILE 87 1HG2 ILE 87 -6.842 -1.096 -3.389 686 HG22 ILE 87 2HG2 ILE 87 -7.645 -1.315 -1.830 687 HG23 ILE 87 3HG2 ILE 87 -7.847 -2.523 -3.083 688 HD11 ILE 87 3HD1 ILE 87 -8.852 2.141 -1.360 689 HD12 ILE 87 1HD1 ILE 87 -9.784 0.659 -1.102 690 HD13 ILE 87 2HD1 ILE 87 -8.003 0.648 -1.017 691 H ASN 88 H ASN 88 -11.497 -1.657 -5.749 692 HA ASN 88 HA ASN 88 -11.066 -4.569 -5.565 693 HB2 ASN 88 1HB ASN 88 -13.402 -2.850 -6.495 694 HB3 ASN 88 2HB ASN 88 -13.304 -4.563 -6.789 695 HD21 ASN 88 1HD2 ASN 88 -13.311 -2.295 -4.083 696 HD22 ASN 88 2HD2 ASN 88 -13.925 -3.483 -2.908 697 H LYS 89 H LYS 89 -11.774 -2.098 -7.971 698 HA LYS 89 HA LYS 89 -11.891 -3.735 -10.184 699 HB2 LYS 89 1HB LYS 89 -12.113 -1.009 -9.618 700 HB3 LYS 89 2HB LYS 89 -10.949 -1.095 -10.944 701 HG2 LYS 89 1HG LYS 89 -13.624 -2.566 -10.971 702 HG3 LYS 89 2HG LYS 89 -13.461 -0.885 -11.435 703 HD2 LYS 89 1HD LYS 89 -11.752 -1.545 -13.180 704 HD3 LYS 89 2HD LYS 89 -12.064 -3.238 -12.753 705 HE2 LYS 89 1HE LYS 89 -13.460 -2.825 -14.617 706 HE3 LYS 89 2HE LYS 89 -14.528 -2.801 -13.207 707 HZ1 LYS 89 3HZ LYS 89 -14.285 -0.308 -13.301 708 HZ2 LYS 89 1HZ LYS 89 -13.546 -0.491 -14.768 709 HZ3 LYS 89 2HZ LYS 89 -15.099 -0.980 -14.544 710 H ASP 90 H ASP 90 -8.981 -2.090 -8.920 711 HA ASP 90 HA ASP 90 -7.260 -4.003 -10.247 712 HB2 ASP 90 1HB ASP 90 -7.908 -1.942 -11.901 713 HB3 ASP 90 2HB ASP 90 -6.565 -1.207 -11.169 714 HA PRO 91 HA PRO 91 -6.198 -1.936 -6.214 715 HB2 PRO 91 1HB PRO 91 -4.955 -4.315 -5.177 716 HB3 PRO 91 2HB PRO 91 -6.569 -3.721 -4.774 717 HG2 PRO 91 1HG PRO 91 -5.661 -5.789 -6.750 718 HG3 PRO 91 2HG PRO 91 -7.176 -5.735 -5.801 719 HD2 PRO 91 1HD PRO 91 -7.080 -5.180 -8.457 720 HD3 PRO 91 2HD PRO 91 -8.192 -4.312 -7.378 721 H GLU 92 H GLU 92 -4.209 -3.734 -8.522 722 HA GLU 92 HA GLU 92 -1.783 -2.521 -7.330 723 HB2 GLU 92 1HB GLU 92 -1.490 -5.027 -8.786 724 HB3 GLU 92 2HB GLU 92 -0.609 -4.393 -7.420 725 HG2 GLU 92 1HG GLU 92 -2.632 -4.965 -5.963 726 HG3 GLU 92 2HG GLU 92 -3.350 -5.748 -7.361 727 H GLY 93 H GLY 93 -3.570 -1.475 -9.430 728 HA2 GLY 93 1HA GLY 93 -1.407 -0.671 -11.242 729 HA3 GLY 93 2HA GLY 93 -2.932 -1.159 -11.990 730 H GLU 94 H GLU 94 -4.919 0.099 -11.404 731 HA GLU 94 HA GLU 94 -4.288 2.878 -10.980 732 HB2 GLU 94 1HB GLU 94 -6.711 1.226 -11.723 733 HB3 GLU 94 2HB GLU 94 -6.948 2.913 -11.258 734 HG2 GLU 94 1HG GLU 94 -5.182 1.835 -13.474 735 HG3 GLU 94 2HG GLU 94 -6.717 2.645 -13.667 736 H GLY 95 H GLY 95 -5.977 0.440 -8.962 737 HA2 GLY 95 1HA GLY 95 -7.036 2.441 -7.132 738 HA3 GLY 95 2HA GLY 95 -7.090 0.715 -6.965 739 H TRP 96 H TRP 96 -4.345 3.050 -7.077 740 HA TRP 96 HA TRP 96 -3.124 1.702 -4.724 741 HB2 TRP 96 1HB TRP 96 -1.191 3.114 -5.159 742 HB3 TRP 96 2HB TRP 96 -1.632 2.149 -6.556 743 HD1 TRP 96 HD TRP 96 -2.735 3.456 -8.661 744 HE1 TRP 96 1HE TRP 96 -2.464 5.859 -9.493 745 HE3 TRP 96 3HE TRP 96 -0.760 5.622 -4.440 746 HZ2 TRP 96 2HZ TRP 96 -1.673 8.398 -8.432 747 HZ3 TRP 96 3HZ TRP 96 -0.386 8.136 -4.395 748 HH2 TRP 96 HH TRP 96 -0.744 9.447 -6.425 749 H LEU 97 H LEU 97 -2.183 3.296 -3.055 750 HA LEU 97 HA LEU 97 -4.419 5.101 -2.252 751 HB2 LEU 97 1HB LEU 97 -2.311 3.884 -0.457 752 HB3 LEU 97 2HB LEU 97 -3.770 4.754 -0.001 753 HG LEU 97 HG LEU 97 -4.244 2.243 -1.549 754 HD11 LEU 97 1HD1 LEU 97 -3.202 2.192 1.315 755 HD12 LEU 97 2HD1 LEU 97 -3.756 0.784 0.378 756 HD13 LEU 97 3HD1 LEU 97 -2.267 1.656 -0.074 757 HD21 LEU 97 3HD2 LEU 97 -5.352 3.184 1.154 758 HD22 LEU 97 1HD2 LEU 97 -6.078 3.578 -0.430 759 HD23 LEU 97 2HD2 LEU 97 -5.988 1.897 0.129 760 H PHE 98 H PHE 98 -0.830 4.814 -1.650 761 HA PHE 98 HA PHE 98 -0.542 7.654 -2.318 762 HB2 PHE 98 1HB PHE 98 0.528 8.237 -0.255 763 HB3 PHE 98 2HB PHE 98 -1.078 7.649 0.058 764 HD1 PHE 98 2HD PHE 98 2.548 6.866 0.312 765 HD2 PHE 98 1HD PHE 98 -1.431 5.713 1.493 766 HE1 PHE 98 2HE PHE 98 3.491 5.485 2.139 767 HE2 PHE 98 1HE PHE 98 -0.458 4.323 3.326 768 HZ PHE 98 HZ PHE 98 1.973 4.242 3.674 769 H LYS 99 H LYS 99 1.887 8.280 -2.111 770 HA LYS 99 HA LYS 99 3.647 5.978 -2.748 771 HB2 LYS 99 1HB LYS 99 3.607 8.609 -4.280 772 HB3 LYS 99 2HB LYS 99 4.901 7.470 -4.332 773 HG2 LYS 99 1HG LYS 99 3.821 5.909 -5.518 774 HG3 LYS 99 2HG LYS 99 2.230 6.280 -4.856 775 HD2 LYS 99 1HD LYS 99 2.139 6.683 -7.144 776 HD3 LYS 99 2HD LYS 99 2.103 8.253 -6.354 777 HE2 LYS 99 1HE LYS 99 4.504 8.581 -6.878 778 HE3 LYS 99 2HE LYS 99 4.583 6.933 -7.558 779 HZ1 LYS 99 3HZ LYS 99 2.869 9.123 -8.550 780 HZ2 LYS 99 1HZ LYS 99 4.296 8.662 -9.234 781 HZ3 LYS 99 2HZ LYS 99 3.003 7.613 -9.219 782 H MET 100 H MET 100 5.803 6.275 -2.062 783 HA MET 100 HA MET 100 6.355 8.640 -0.390 784 HB2 MET 100 1HB MET 100 6.971 7.239 1.496 785 HB3 MET 100 2HB MET 100 5.275 7.063 1.147 786 HG2 MET 100 1HG MET 100 5.563 4.852 1.121 787 HG3 MET 100 2HG MET 100 6.406 4.989 -0.382 788 HE1 MET 100 3HE MET 100 6.448 4.726 3.414 789 HE2 MET 100 1HE MET 100 8.150 4.604 3.887 790 HE3 MET 100 2HE MET 100 7.473 6.168 3.397 791 H GLU 101 H GLU 101 8.476 8.945 0.033 792 HA GLU 101 HA GLU 101 10.472 7.878 -1.763 793 HB2 GLU 101 1HB GLU 101 10.321 10.255 -1.048 794 HB3 GLU 101 2HB GLU 101 10.565 9.776 0.634 795 HG2 GLU 101 1HG GLU 101 12.832 8.991 0.127 796 HG3 GLU 101 2HG GLU 101 12.584 9.297 -1.594 797 H ILE 102 H ILE 102 11.481 6.015 -1.341 798 HA ILE 102 HA ILE 102 11.512 4.778 1.307 799 HB ILE 102 HB ILE 102 13.148 3.226 0.233 800 HG12 ILE 102 1HG1 ILE 102 11.891 3.978 -2.413 801 HG13 ILE 102 2HG1 ILE 102 13.324 4.855 -1.895 802 HG21 ILE 102 1HG2 ILE 102 11.382 1.807 -0.679 803 HG22 ILE 102 2HG2 ILE 102 10.813 2.660 0.760 804 HG23 ILE 102 3HG2 ILE 102 10.314 3.238 -0.855 805 HD11 ILE 102 3HD1 ILE 102 13.413 1.860 -1.992 806 HD12 ILE 102 1HD1 ILE 102 13.734 2.878 -3.418 807 HD13 ILE 102 2HD1 ILE 102 14.724 3.058 -1.959 808 H SER 103 H SER 103 12.503 6.138 2.616 809 HA SER 103 HA SER 103 15.006 7.447 2.121 810 HB2 SER 103 1HB SER 103 13.634 6.484 4.658 811 HB3 SER 103 2HB SER 103 15.099 7.491 4.637 812 HG SER 103 HG SER 103 13.972 9.073 3.580 813 H ASP 104 H ASP 104 14.049 4.148 3.091 814 HA ASP 104 HA ASP 104 16.895 3.327 3.403 815 HB2 ASP 104 1HB ASP 104 14.505 2.611 5.146 816 HB3 ASP 104 2HB ASP 104 16.161 2.015 5.327 817 H GLU 105 H GLU 105 16.743 2.463 1.136 818 HA GLU 105 HA GLU 105 14.746 0.528 0.561 819 HB2 GLU 105 1HB GLU 105 15.519 1.100 -1.438 820 HB3 GLU 105 2HB GLU 105 17.012 1.761 -0.789 821 HG2 GLU 105 1HG GLU 105 17.973 -0.494 -0.761 822 HG3 GLU 105 2HG GLU 105 16.483 -1.151 -1.497 823 H GLY 106 H GLY 106 17.247 0.564 2.694 824 HA2 GLY 106 1HA GLY 106 18.458 -2.029 2.467 825 HA3 GLY 106 2HA GLY 106 18.531 -0.957 3.876 826 H GLU 107 H GLU 107 15.414 -0.873 4.055 827 HA GLU 107 HA GLU 107 15.227 -3.419 5.504 828 HB2 GLU 107 1HB GLU 107 13.405 -1.020 5.274 829 HB3 GLU 107 2HB GLU 107 12.884 -2.549 6.003 830 HG2 GLU 107 1HG GLU 107 15.065 -2.391 7.443 831 HG3 GLU 107 2HG GLU 107 15.066 -0.675 7.004 832 H LEU 108 H LEU 108 14.007 -2.085 2.382 833 HA LEU 108 HA LEU 108 12.008 -3.642 1.638 834 HB2 LEU 108 1HB LEU 108 14.374 -3.422 -0.195 835 HB3 LEU 108 2HB LEU 108 12.706 -3.753 -0.632 836 HG LEU 108 HG LEU 108 13.920 -1.182 0.146 837 HD11 LEU 108 1HD1 LEU 108 12.348 -2.149 -2.244 838 HD12 LEU 108 2HD1 LEU 108 12.920 -0.472 -1.988 839 HD13 LEU 108 3HD1 LEU 108 14.093 -1.769 -2.130 840 HD21 LEU 108 3HD2 LEU 108 11.046 -1.885 0.429 841 HD22 LEU 108 1HD2 LEU 108 12.132 -0.780 1.350 842 HD23 LEU 108 2HD2 LEU 108 11.490 -0.293 -0.215 843 H GLU 109 H GLU 109 15.395 -4.881 1.715 844 HA GLU 109 HA GLU 109 14.598 -7.371 0.472 845 HB2 GLU 109 1HB GLU 109 16.934 -8.017 0.790 846 HB3 GLU 109 2HB GLU 109 16.554 -6.470 0.012 847 HG2 GLU 109 1HG GLU 109 18.514 -6.079 1.126 848 HG3 GLU 109 2HG GLU 109 17.263 -5.215 1.996 849 H ASP 110 H ASP 110 14.343 -6.375 3.466 850 HA ASP 110 HA ASP 110 14.279 -9.086 4.759 851 HB2 ASP 110 1HB ASP 110 14.749 -7.418 6.382 852 HB3 ASP 110 2HB ASP 110 13.395 -6.407 5.883 853 H LEU 111 H LEU 111 11.880 -6.797 3.259 854 HA LEU 111 HA LEU 111 9.520 -8.114 4.200 855 HB2 LEU 111 1HB LEU 111 10.189 -6.415 1.790 856 HB3 LEU 111 2HB LEU 111 8.557 -6.898 2.192 857 HG LEU 111 HG LEU 111 9.058 -4.619 2.681 858 HD11 LEU 111 1HD1 LEU 111 7.370 -5.944 4.062 859 HD12 LEU 111 2HD1 LEU 111 8.607 -6.160 5.287 860 HD13 LEU 111 3HD1 LEU 111 8.013 -4.519 4.907 861 HD21 LEU 111 3HD2 LEU 111 10.463 -3.778 4.268 862 HD22 LEU 111 1HD2 LEU 111 11.025 -5.405 4.748 863 HD23 LEU 111 2HD2 LEU 111 11.266 -4.815 3.077 864 H LEU 112 H LEU 112 7.967 -8.914 2.625 865 HA LEU 112 HA LEU 112 8.849 -11.446 1.596 866 HB2 LEU 112 1HB LEU 112 6.213 -9.971 1.291 867 HB3 LEU 112 2HB LEU 112 6.456 -11.690 1.021 868 HG LEU 112 HG LEU 112 6.971 -10.408 3.750 869 HD11 LEU 112 1HD1 LEU 112 4.786 -9.726 3.098 870 HD12 LEU 112 2HD1 LEU 112 4.309 -11.402 2.716 871 HD13 LEU 112 3HD1 LEU 112 4.702 -10.924 4.393 872 HD21 LEU 112 3HD2 LEU 112 6.419 -12.663 4.585 873 HD22 LEU 112 1HD2 LEU 112 6.215 -13.243 2.912 874 HD23 LEU 112 2HD2 LEU 112 7.805 -12.688 3.487 875 H ASP 113 H ASP 113 9.798 -11.633 -0.329 876 HA ASP 113 HA ASP 113 9.624 -9.872 -2.622 877 HB2 ASP 113 1HB ASP 113 10.560 -12.687 -2.068 878 HB3 ASP 113 2HB ASP 113 10.259 -12.286 -3.717 879 H GLU 114 H GLU 114 8.808 -11.223 -4.741 880 HA GLU 114 HA GLU 114 5.887 -11.027 -4.513 881 HB2 GLU 114 1HB GLU 114 7.207 -10.186 -6.436 882 HB3 GLU 114 2HB GLU 114 7.701 -11.845 -6.809 883 HG2 GLU 114 1HG GLU 114 5.492 -12.438 -7.518 884 HG3 GLU 114 2HG GLU 114 4.767 -11.007 -6.786 885 H GLN 115 H GLN 115 8.247 -13.715 -4.988 886 HA GLN 115 HA GLN 115 6.352 -15.772 -5.192 887 HB2 GLN 115 1HB GLN 115 8.651 -15.868 -6.049 888 HB3 GLN 115 2HB GLN 115 9.315 -15.472 -4.466 889 HG2 GLN 115 1HG GLN 115 8.301 -17.606 -3.618 890 HG3 GLN 115 2HG GLN 115 7.949 -18.022 -5.301 891 HE21 GLN 115 1HE2 GLN 115 10.041 -18.643 -2.873 892 HE22 GLN 115 2HE2 GLN 115 11.505 -19.008 -3.757 893 H ALA 116 H ALA 116 8.249 -14.281 -2.555 894 HA ALA 116 HA ALA 116 7.462 -16.098 -0.458 895 HB1 ALA 116 1HB ALA 116 8.388 -14.284 1.020 896 HB2 ALA 116 2HB ALA 116 9.515 -14.854 -0.225 897 HB3 ALA 116 3HB ALA 116 8.648 -13.313 -0.423 898 H TYR 117 H TYR 117 6.113 -13.048 -1.697 899 HA TYR 117 HA TYR 117 4.241 -12.514 0.344 900 HB2 TYR 117 1HB TYR 117 4.659 -10.863 -1.277 901 HB3 TYR 117 2HB TYR 117 4.488 -11.958 -2.621 902 HD1 TYR 117 1HD TYR 117 2.252 -10.986 0.276 903 HD2 TYR 117 2HD TYR 117 2.719 -11.525 -3.983 904 HE1 TYR 117 1HE TYR 117 -0.173 -10.801 -0.002 905 HE2 TYR 117 2HE TYR 117 0.343 -11.288 -4.322 906 HH TYR 117 HH TYR 117 -1.844 -11.547 -1.472 907 H GLN 118 H GLN 118 3.964 -14.455 -2.673 908 HA GLN 118 HA GLN 118 1.324 -15.362 -2.230 909 HB2 GLN 118 1HB GLN 118 1.820 -15.947 -4.319 910 HB3 GLN 118 2HB GLN 118 3.558 -15.982 -4.048 911 HG2 GLN 118 1HG GLN 118 3.584 -18.238 -3.445 912 HG3 GLN 118 2HG GLN 118 1.890 -18.226 -2.974 913 HE21 GLN 118 1HE2 GLN 118 1.397 -20.067 -4.064 914 HE22 GLN 118 2HE2 GLN 118 0.962 -19.929 -5.769 915 H GLU 119 H GLU 119 4.458 -16.653 -1.180 916 HA GLU 119 HA GLU 119 3.592 -18.933 0.192 917 HB2 GLU 119 1HB GLU 119 5.991 -17.781 -0.271 918 HB3 GLU 119 2HB GLU 119 5.769 -17.271 1.416 919 HG2 GLU 119 1HG GLU 119 5.312 -19.707 1.960 920 HG3 GLU 119 2HG GLU 119 5.838 -20.093 0.312 921 H PHE 120 H PHE 120 3.864 -15.549 1.475 922 HA PHE 120 HA PHE 120 2.813 -16.154 4.024 923 HB2 PHE 120 1HB PHE 120 3.896 -13.977 3.122 924 HB3 PHE 120 2HB PHE 120 2.285 -13.504 2.653 925 HD1 PHE 120 1HD PHE 120 3.996 -14.997 5.700 926 HD2 PHE 120 2HD PHE 120 1.021 -12.255 4.203 927 HE1 PHE 120 1HE PHE 120 3.209 -14.568 8.008 928 HE2 PHE 120 2HE PHE 120 0.221 -11.875 6.526 929 HZ PHE 120 HZ PHE 120 1.315 -13.008 8.421 930 H CYS 121 H CYS 121 1.209 -15.229 1.065 931 HA CYS 121 HA CYS 121 -1.537 -15.282 1.980 932 HB2 CYS 121 1HB CYS 121 -0.210 -15.515 -0.696 933 HB3 CYS 121 2HB CYS 121 -1.832 -16.178 -0.567 934 HG CYS 121 HG CYS 121 -2.126 -13.994 -1.615 935 H ALA 122 H ALA 122 0.620 -18.006 1.766 936 HA ALA 122 HA ALA 122 -1.553 -19.967 1.497 937 HB1 ALA 122 1HB ALA 122 1.392 -20.421 2.080 938 HB2 ALA 122 2HB ALA 122 0.199 -21.596 1.547 939 HB3 ALA 122 3HB ALA 122 0.709 -20.305 0.442 940 H GLN 123 H GLN 123 0.105 -18.191 4.000 941 HA GLN 123 HA GLN 123 -0.943 -19.937 6.146 942 HB2 GLN 123 1HB GLN 123 0.945 -19.000 7.509 943 HB3 GLN 123 2HB GLN 123 1.454 -20.026 6.165 944 HG2 GLN 123 1HG GLN 123 1.998 -18.020 4.823 945 HG3 GLN 123 2HG GLN 123 1.462 -16.982 6.155 946 HE21 GLN 123 1HE2 GLN 123 3.983 -19.472 5.236 947 HE22 GLN 123 2HE2 GLN 123 5.164 -18.710 6.292 948 H GLU 124 H GLU 124 -2.404 -18.030 4.616 949 HA GLU 124 HA GLU 124 -2.421 -15.458 5.686 950 HB2 GLU 124 1HB GLU 124 -4.511 -15.105 4.498 951 HB3 GLU 124 2HB GLU 124 -3.371 -15.997 3.534 952 HG2 GLU 124 1HG GLU 124 -5.362 -17.063 3.094 953 HG3 GLU 124 2HG GLU 124 -4.552 -18.142 4.226 Start of MODEL 10 1 H1 MET 1 H MET 1 15.936 1.612 -11.909 2 HA MET 1 HA MET 1 17.225 -0.707 -10.624 3 HB2 MET 1 1HB MET 1 17.054 2.170 -9.674 4 HB3 MET 1 2HB MET 1 17.543 0.827 -8.634 5 HG2 MET 1 1HG MET 1 19.251 0.205 -10.437 6 HG3 MET 1 2HG MET 1 18.916 1.785 -11.149 7 HE1 MET 1 3HE MET 1 22.396 2.559 -9.863 8 HE2 MET 1 1HE MET 1 21.717 1.239 -10.848 9 HE3 MET 1 2HE MET 1 21.188 2.901 -11.119 10 H LYS 2 H LYS 2 14.132 -0.037 -11.442 11 HA LYS 2 HA LYS 2 12.604 0.114 -9.254 12 HB2 LYS 2 1HB LYS 2 10.862 -0.741 -10.552 13 HB3 LYS 2 2HB LYS 2 11.967 -0.081 -11.724 14 HG2 LYS 2 1HG LYS 2 11.585 -3.013 -11.002 15 HG3 LYS 2 2HG LYS 2 10.962 -2.207 -12.424 16 HD2 LYS 2 1HD LYS 2 12.960 -2.187 -13.551 17 HD3 LYS 2 2HD LYS 2 13.960 -2.260 -12.105 18 HE2 LYS 2 1HE LYS 2 12.154 -4.561 -12.886 19 HE3 LYS 2 2HE LYS 2 13.790 -4.373 -13.550 20 HZ1 LYS 2 3HZ LYS 2 13.754 -5.769 -11.557 21 HZ2 LYS 2 1HZ LYS 2 14.690 -4.433 -11.365 22 HZ3 LYS 2 2HZ LYS 2 13.218 -4.501 -10.644 23 H MET 3 H MET 3 11.382 -1.290 -7.830 24 HA MET 3 HA MET 3 12.186 -4.065 -7.612 25 HB2 MET 3 1HB MET 3 13.822 -2.696 -6.216 26 HB3 MET 3 2HB MET 3 12.489 -2.033 -5.322 27 HG2 MET 3 1HG MET 3 13.510 -3.860 -4.109 28 HG3 MET 3 2HG MET 3 11.803 -4.119 -4.494 29 HE1 MET 3 3HE MET 3 14.546 -4.451 -7.282 30 HE2 MET 3 1HE MET 3 15.400 -4.636 -5.745 31 HE3 MET 3 2HE MET 3 15.278 -6.016 -6.869 32 H LYS 4 H LYS 4 10.516 -5.262 -6.369 33 HA LYS 4 HA LYS 4 8.357 -3.639 -5.216 34 HB2 LYS 4 1HB LYS 4 7.249 -3.915 -7.224 35 HB3 LYS 4 2HB LYS 4 7.887 -5.535 -7.515 36 HG2 LYS 4 1HG LYS 4 6.318 -6.583 -6.193 37 HG3 LYS 4 2HG LYS 4 6.155 -5.236 -5.081 38 HD2 LYS 4 1HD LYS 4 4.109 -5.584 -6.242 39 HD3 LYS 4 2HD LYS 4 4.781 -3.989 -6.637 40 HE2 LYS 4 1HE LYS 4 5.571 -4.812 -8.791 41 HE3 LYS 4 2HE LYS 4 5.084 -6.469 -8.381 42 HZ1 LYS 4 3HZ LYS 4 3.240 -4.172 -8.659 43 HZ2 LYS 4 1HZ LYS 4 3.475 -5.322 -9.786 44 HZ3 LYS 4 2HZ LYS 4 2.791 -5.739 -8.354 45 H LYS 5 H LYS 5 8.422 -4.258 -3.160 46 HA LYS 5 HA LYS 5 8.211 -7.190 -2.684 47 HB2 LYS 5 1HB LYS 5 9.354 -5.054 -0.801 48 HB3 LYS 5 2HB LYS 5 8.721 -6.616 -0.313 49 HG2 LYS 5 1HG LYS 5 10.952 -7.047 -0.523 50 HG3 LYS 5 2HG LYS 5 10.218 -7.835 -1.840 51 HD2 LYS 5 1HD LYS 5 11.196 -6.432 -3.442 52 HD3 LYS 5 2HD LYS 5 11.347 -5.080 -2.308 53 HE2 LYS 5 1HE LYS 5 13.549 -6.033 -2.896 54 HE3 LYS 5 2HE LYS 5 13.201 -6.119 -1.167 55 HZ1 LYS 5 3HZ LYS 5 12.987 -8.392 -3.033 56 HZ2 LYS 5 1HZ LYS 5 14.186 -8.126 -1.946 57 HZ3 LYS 5 2HZ LYS 5 12.694 -8.428 -1.395 58 H TYR 6 H TYR 6 6.868 -7.527 -0.524 59 HA TYR 6 HA TYR 6 4.332 -5.973 -0.675 60 HB2 TYR 6 1HB TYR 6 4.739 -8.962 -0.512 61 HB3 TYR 6 2HB TYR 6 3.192 -8.172 -0.488 62 HD1 TYR 6 1HD TYR 6 6.160 -8.852 -2.687 63 HD2 TYR 6 2HD TYR 6 1.997 -7.778 -2.467 64 HE1 TYR 6 1HE TYR 6 5.967 -9.178 -5.096 65 HE2 TYR 6 2HE TYR 6 1.735 -8.255 -4.879 66 HH TYR 6 HH TYR 6 2.946 -9.722 -6.587 67 H THR 7 H THR 7 2.804 -6.791 1.332 68 HA THR 7 HA THR 7 4.433 -7.433 3.689 69 HB THR 7 HB THR 7 2.904 -5.778 4.922 70 HG1 THR 7 1HG THR 7 1.982 -4.139 3.487 71 HG21 THR 7 3HG2 THR 7 4.747 -4.523 2.852 72 HG22 THR 7 1HG2 THR 7 4.077 -3.738 4.288 73 HG23 THR 7 2HG2 THR 7 5.203 -5.091 4.469 74 H LYS 8 H LYS 8 3.096 -7.923 5.455 75 HA LYS 8 HA LYS 8 1.248 -10.110 4.822 76 HB2 LYS 8 1HB LYS 8 2.125 -9.023 7.536 77 HB3 LYS 8 2HB LYS 8 1.004 -10.317 7.334 78 HG2 LYS 8 1HG LYS 8 2.641 -11.811 7.055 79 HG3 LYS 8 2HG LYS 8 3.299 -10.956 5.674 80 HD2 LYS 8 1HD LYS 8 3.875 -10.396 8.606 81 HD3 LYS 8 2HD LYS 8 4.883 -11.369 7.510 82 HE2 LYS 8 1HE LYS 8 5.225 -9.471 6.035 83 HE3 LYS 8 2HE LYS 8 4.133 -8.476 6.995 84 HZ1 LYS 8 3HZ LYS 8 6.601 -8.206 7.386 85 HZ2 LYS 8 1HZ LYS 8 5.754 -8.432 8.763 86 HZ3 LYS 8 2HZ LYS 8 6.596 -9.673 8.107 87 H THR 9 H THR 9 0.821 -6.778 6.130 88 HA THR 9 HA THR 9 -2.070 -7.066 6.196 89 HB THR 9 HB THR 9 -1.181 -5.440 7.688 90 HG1 THR 9 1HG THR 9 -2.160 -4.179 5.384 91 HG21 THR 9 3HG2 THR 9 0.378 -4.366 5.292 92 HG22 THR 9 1HG2 THR 9 0.143 -3.461 6.781 93 HG23 THR 9 2HG2 THR 9 1.024 -4.988 6.836 94 H HIS 10 H HIS 10 -1.168 -8.219 3.866 95 HA HIS 10 HA HIS 10 -1.230 -8.173 1.559 96 HB2 HIS 10 1HB HIS 10 -3.759 -7.762 1.072 97 HB3 HIS 10 2HB HIS 10 -3.293 -9.048 2.181 98 HD1 HIS 10 1HD HIS 10 -4.150 -5.316 2.452 99 HD2 HIS 10 2HD HIS 10 -4.572 -8.984 4.474 100 HE1 HIS 10 1HE HIS 10 -5.630 -4.860 4.517 101 HE2 HIS 10 2HE HIS 10 -5.837 -7.093 5.780 102 H GLU 11 H GLU 11 0.357 -6.215 1.483 103 HA GLU 11 HA GLU 11 -0.891 -4.359 -0.438 104 HB2 GLU 11 1HB GLU 11 1.449 -3.651 1.290 105 HB3 GLU 11 2HB GLU 11 0.678 -2.567 0.187 106 HG2 GLU 11 1HG GLU 11 -1.035 -2.049 1.737 107 HG3 GLU 11 2HG GLU 11 -0.677 -3.482 2.727 108 H TRP 12 H TRP 12 0.751 -3.470 -1.884 109 HA TRP 12 HA TRP 12 3.221 -5.078 -2.230 110 HB2 TRP 12 1HB TRP 12 3.117 -4.280 -4.620 111 HB3 TRP 12 2HB TRP 12 1.944 -5.497 -4.167 112 HD1 TRP 12 HD TRP 12 -0.612 -4.753 -3.931 113 HE1 TRP 12 1HE TRP 12 -1.968 -2.942 -5.067 114 HE3 TRP 12 3HE TRP 12 3.213 -1.722 -5.574 115 HZ2 TRP 12 2HZ TRP 12 -1.520 -0.736 -6.775 116 HZ3 TRP 12 3HZ TRP 12 2.645 0.251 -6.986 117 HH2 TRP 12 HH TRP 12 0.313 0.734 -7.616 118 H VAL 13 H VAL 13 4.940 -3.684 -3.244 119 HA VAL 13 HA VAL 13 4.820 -0.788 -2.643 120 HB VAL 13 HB VAL 13 7.388 -2.425 -2.253 121 HG11 VAL 13 1HG1 VAL 13 6.334 0.140 -0.980 122 HG12 VAL 13 2HG1 VAL 13 8.003 -0.507 -0.936 123 HG13 VAL 13 3HG1 VAL 13 7.292 0.023 -2.462 124 HG21 VAL 13 3HG2 VAL 13 5.894 -3.516 -0.642 125 HG22 VAL 13 1HG2 VAL 13 7.001 -2.453 0.191 126 HG23 VAL 13 2HG2 VAL 13 5.315 -1.938 -0.087 127 H SER 14 H SER 14 5.654 0.318 -4.492 128 HA SER 14 HA SER 14 7.145 -1.244 -6.557 129 HB2 SER 14 1HB SER 14 4.617 0.215 -6.566 130 HB3 SER 14 2HB SER 14 5.691 0.785 -7.827 131 HG SER 14 HG SER 14 6.009 -1.309 -8.510 132 H ILE 15 H ILE 15 9.040 -0.556 -5.803 133 HA ILE 15 HA ILE 15 9.937 2.210 -5.738 134 HB ILE 15 HB ILE 15 11.177 -0.539 -5.834 135 HG12 ILE 15 1HG1 ILE 15 12.030 0.483 -3.470 136 HG13 ILE 15 2HG1 ILE 15 10.521 1.349 -3.650 137 HG21 ILE 15 1HG2 ILE 15 13.403 0.238 -5.430 138 HG22 ILE 15 2HG2 ILE 15 12.815 0.852 -6.956 139 HG23 ILE 15 3HG2 ILE 15 12.879 1.936 -5.562 140 HD11 ILE 15 3HD1 ILE 15 10.312 -0.731 -2.312 141 HD12 ILE 15 1HD1 ILE 15 9.283 -0.793 -3.743 142 HD13 ILE 15 2HD1 ILE 15 10.811 -1.690 -3.713 143 H GLU 16 H GLU 16 10.740 3.267 -7.458 144 HA GLU 16 HA GLU 16 11.357 1.780 -9.956 145 HB2 GLU 16 1HB GLU 16 9.440 3.230 -10.474 146 HB3 GLU 16 2HB GLU 16 10.274 4.626 -9.781 147 HG2 GLU 16 1HG GLU 16 10.469 4.616 -12.240 148 HG3 GLU 16 2HG GLU 16 12.056 4.453 -11.494 149 H ASP 17 H ASP 17 11.873 5.019 -8.660 150 HA ASP 17 HA ASP 17 14.812 4.558 -8.394 151 HB2 ASP 17 1HB ASP 17 13.143 6.837 -9.436 152 HB3 ASP 17 2HB ASP 17 14.498 7.269 -8.417 153 H LYS 18 H LYS 18 13.108 7.266 -7.015 154 HA LYS 18 HA LYS 18 13.225 6.175 -4.279 155 HB2 LYS 18 1HB LYS 18 13.675 8.566 -3.693 156 HB3 LYS 18 2HB LYS 18 14.931 7.736 -4.536 157 HG2 LYS 18 1HG LYS 18 13.892 8.901 -6.711 158 HG3 LYS 18 2HG LYS 18 12.990 9.868 -5.542 159 HD2 LYS 18 1HD LYS 18 15.128 10.685 -4.608 160 HD3 LYS 18 2HD LYS 18 16.008 9.618 -5.712 161 HE2 LYS 18 1HE LYS 18 15.041 10.772 -7.666 162 HE3 LYS 18 2HE LYS 18 14.138 11.848 -6.605 163 HZ1 LYS 18 3HZ LYS 18 16.293 12.625 -5.739 164 HZ2 LYS 18 1HZ LYS 18 17.075 11.715 -6.849 165 HZ3 LYS 18 2HZ LYS 18 16.098 12.937 -7.344 166 H VAL 19 H VAL 19 10.899 5.847 -5.931 167 HA VAL 19 HA VAL 19 9.133 7.031 -4.024 168 HB VAL 19 HB VAL 19 8.525 7.408 -7.005 169 HG11 VAL 19 1HG1 VAL 19 6.366 8.352 -6.145 170 HG12 VAL 19 2HG1 VAL 19 6.520 6.622 -5.818 171 HG13 VAL 19 3HG1 VAL 19 6.834 7.808 -4.516 172 HG21 VAL 19 3HG2 VAL 19 9.830 9.309 -6.132 173 HG22 VAL 19 1HG2 VAL 19 8.134 9.796 -6.313 174 HG23 VAL 19 2HG2 VAL 19 8.771 9.405 -4.707 175 H ALA 20 H ALA 20 8.253 5.308 -3.201 176 HA ALA 20 HA ALA 20 7.860 2.827 -4.785 177 HB1 ALA 20 1HB ALA 20 9.238 3.065 -2.490 178 HB2 ALA 20 2HB ALA 20 7.610 2.817 -1.814 179 HB3 ALA 20 3HB ALA 20 8.331 1.643 -2.941 180 H THR 21 H THR 21 5.938 2.989 -5.744 181 HA THR 21 HA THR 21 3.609 4.179 -4.548 182 HB THR 21 HB THR 21 3.807 2.137 -6.799 183 HG1 THR 21 1HG THR 21 4.442 3.655 -8.101 184 HG21 THR 21 3HG2 THR 21 1.512 2.544 -6.054 185 HG22 THR 21 1HG2 THR 21 1.740 4.292 -6.195 186 HG23 THR 21 2HG2 THR 21 1.776 3.268 -7.646 187 H VAL 22 H VAL 22 2.340 3.345 -2.960 188 HA VAL 22 HA VAL 22 2.295 0.503 -2.360 189 HB VAL 22 HB VAL 22 2.247 1.272 -0.356 190 HG11 VAL 22 1HG1 VAL 22 1.864 4.122 -0.813 191 HG12 VAL 22 2HG1 VAL 22 2.691 3.262 0.485 192 HG13 VAL 22 3HG1 VAL 22 3.452 3.315 -1.075 193 HG21 VAL 22 3HG2 VAL 22 0.470 2.370 0.797 194 HG22 VAL 22 1HG2 VAL 22 -0.296 2.637 -0.783 195 HG23 VAL 22 2HG2 VAL 22 -0.020 0.989 -0.163 196 H GLY 23 H GLY 23 0.381 -0.726 -2.343 197 HA2 GLY 23 1HA GLY 23 -2.153 0.562 -2.416 198 HA3 GLY 23 2HA GLY 23 -1.883 -0.364 -3.875 199 H ILE 24 H ILE 24 -3.865 -1.231 -2.006 200 HA ILE 24 HA ILE 24 -2.594 -3.430 -0.495 201 HB ILE 24 HB ILE 24 -4.954 -4.006 0.103 202 HG12 ILE 24 1HG1 ILE 24 -5.633 -1.089 -0.209 203 HG13 ILE 24 2HG1 ILE 24 -5.924 -2.203 -1.529 204 HG21 ILE 24 1HG2 ILE 24 -3.707 -1.525 1.311 205 HG22 ILE 24 2HG2 ILE 24 -4.887 -2.598 2.082 206 HG23 ILE 24 3HG2 ILE 24 -3.272 -3.191 1.680 207 HD11 ILE 24 3HD1 ILE 24 -7.030 -2.659 1.282 208 HD12 ILE 24 1HD1 ILE 24 -7.922 -1.861 -0.030 209 HD13 ILE 24 2HD1 ILE 24 -7.475 -3.540 -0.192 210 H THR 25 H THR 25 -2.860 -5.643 -1.127 211 HA THR 25 HA THR 25 -3.166 -5.976 -3.987 212 HB THR 25 HB THR 25 -2.641 -8.365 -3.422 213 HG1 THR 25 1HG THR 25 -2.135 -8.928 -1.444 214 HG21 THR 25 3HG2 THR 25 -0.755 -6.262 -2.303 215 HG22 THR 25 1HG2 THR 25 -0.309 -7.933 -2.646 216 HG23 THR 25 2HG2 THR 25 -0.808 -6.897 -3.972 217 H ASN 26 H ASN 26 -4.444 -8.045 -4.737 218 HA ASN 26 HA ASN 26 -7.220 -7.521 -4.383 219 HB2 ASN 26 1HB ASN 26 -6.519 -8.509 -6.387 220 HB3 ASN 26 2HB ASN 26 -5.681 -9.824 -5.620 221 HD21 ASN 26 1HD2 ASN 26 -7.038 -11.809 -5.290 222 HD22 ASN 26 2HD2 ASN 26 -8.790 -11.706 -5.376 223 H HIS 27 H HIS 27 -5.146 -9.895 -2.769 224 HA HIS 27 HA HIS 27 -7.016 -11.315 -1.243 225 HB2 HIS 27 1HB HIS 27 -4.527 -11.677 -1.349 226 HB3 HIS 27 2HB HIS 27 -4.301 -10.297 -0.281 227 HD1 HIS 27 1HD HIS 27 -4.710 -13.977 -0.158 228 HD2 HIS 27 2HD HIS 27 -5.642 -10.655 2.311 229 HE1 HIS 27 1HE HIS 27 -5.128 -14.881 2.214 230 HE2 HIS 27 2HE HIS 27 -5.736 -12.814 3.686 231 H ALA 28 H ALA 28 -6.222 -7.904 -0.963 232 HA ALA 28 HA ALA 28 -7.265 -7.598 1.753 233 HB1 ALA 28 1HB ALA 28 -6.707 -5.301 1.415 234 HB2 ALA 28 2HB ALA 28 -5.388 -6.252 0.657 235 HB3 ALA 28 3HB ALA 28 -6.641 -5.516 -0.344 236 H GLN 29 H GLN 29 -8.302 -6.632 -1.671 237 HA GLN 29 HA GLN 29 -10.704 -5.437 -0.674 238 HB2 GLN 29 1HB GLN 29 -11.375 -5.208 -2.957 239 HB3 GLN 29 2HB GLN 29 -9.712 -4.855 -2.749 240 HG2 GLN 29 1HG GLN 29 -9.812 -5.986 -4.783 241 HG3 GLN 29 2HG GLN 29 -9.117 -7.102 -3.655 242 HE21 GLN 29 1HE2 GLN 29 -10.044 -9.065 -3.500 243 HE22 GLN 29 2HE2 GLN 29 -11.621 -9.486 -4.197 244 H GLU 30 H GLU 30 -9.822 -8.796 -1.176 245 HA GLU 30 HA GLU 30 -12.230 -10.121 -1.260 246 HB2 GLU 30 1HB GLU 30 -9.448 -10.525 -0.395 247 HB3 GLU 30 2HB GLU 30 -10.578 -11.631 0.303 248 HG2 GLU 30 1HG GLU 30 -10.281 -11.064 -2.675 249 HG3 GLU 30 2HG GLU 30 -9.452 -12.334 -1.809 250 H GLN 31 H GLN 31 -10.789 -8.379 1.621 251 HA GLN 31 HA GLN 31 -12.799 -9.576 3.296 252 HB2 GLN 31 1HB GLN 31 -11.892 -8.168 5.125 253 HB3 GLN 31 2HB GLN 31 -11.096 -9.605 4.449 254 HG2 GLN 31 1HG GLN 31 -9.616 -8.508 3.291 255 HG3 GLN 31 2HG GLN 31 -10.257 -6.856 3.657 256 HE21 GLN 31 1HE2 GLN 31 -9.841 -5.907 5.798 257 HE22 GLN 31 2HE2 GLN 31 -8.777 -6.690 6.924 258 H LEU 32 H LEU 32 -12.070 -6.456 1.848 259 HA LEU 32 HA LEU 32 -14.256 -5.139 3.356 260 HB2 LEU 32 1HB LEU 32 -12.207 -4.023 1.405 261 HB3 LEU 32 2HB LEU 32 -13.468 -3.090 2.170 262 HG LEU 32 HG LEU 32 -10.945 -4.193 3.354 263 HD11 LEU 32 1HD1 LEU 32 -12.521 -1.613 3.811 264 HD12 LEU 32 2HD1 LEU 32 -10.932 -1.961 4.445 265 HD13 LEU 32 3HD1 LEU 32 -11.154 -1.804 2.689 266 HD21 LEU 32 3HD2 LEU 32 -11.799 -3.772 5.672 267 HD22 LEU 32 1HD2 LEU 32 -13.437 -3.704 5.014 268 HD23 LEU 32 2HD2 LEU 32 -12.496 -5.211 4.907 269 H GLY 33 H GLY 33 -13.717 -6.182 0.005 270 HA2 GLY 33 1HA GLY 33 -14.906 -6.024 -1.873 271 HA3 GLY 33 2HA GLY 33 -16.324 -6.176 -0.829 272 H ASP 34 H ASP 34 -17.709 -4.632 -1.065 273 HA ASP 34 HA ASP 34 -17.414 -2.337 -2.679 274 HB2 ASP 34 1HB ASP 34 -19.548 -2.845 -0.555 275 HB3 ASP 34 2HB ASP 34 -19.664 -1.726 -1.893 276 H VAL 35 H VAL 35 -16.251 -0.483 -2.128 277 HA VAL 35 HA VAL 35 -16.002 0.134 0.751 278 HB VAL 35 HB VAL 35 -14.281 1.507 -1.250 279 HG11 VAL 35 1HG1 VAL 35 -12.830 1.753 0.623 280 HG12 VAL 35 2HG1 VAL 35 -14.410 1.840 1.426 281 HG13 VAL 35 3HG1 VAL 35 -13.516 0.347 1.467 282 HG21 VAL 35 3HG2 VAL 35 -13.659 -1.274 -0.241 283 HG22 VAL 35 1HG2 VAL 35 -13.847 -0.765 -1.943 284 HG23 VAL 35 2HG2 VAL 35 -12.499 -0.133 -0.990 285 H VAL 36 H VAL 36 -15.269 2.787 0.387 286 HA VAL 36 HA VAL 36 -17.282 4.509 -0.597 287 HB VAL 36 HB VAL 36 -17.813 5.020 2.028 288 HG11 VAL 36 1HG1 VAL 36 -20.004 4.278 1.680 289 HG12 VAL 36 2HG1 VAL 36 -19.407 4.679 0.083 290 HG13 VAL 36 3HG1 VAL 36 -19.495 2.966 0.584 291 HG21 VAL 36 3HG2 VAL 36 -18.070 2.005 2.088 292 HG22 VAL 36 1HG2 VAL 36 -16.597 2.804 2.626 293 HG23 VAL 36 2HG2 VAL 36 -18.122 3.185 3.430 294 H TYR 37 H TYR 37 -14.553 3.760 1.729 295 HA TYR 37 HA TYR 37 -13.658 6.500 1.158 296 HB2 TYR 37 1HB TYR 37 -15.121 6.679 3.170 297 HB3 TYR 37 2HB TYR 37 -14.155 5.444 3.977 298 HD1 TYR 37 1HD TYR 37 -13.492 8.599 1.983 299 HD2 TYR 37 2HD TYR 37 -12.633 6.325 5.565 300 HE1 TYR 37 1HE TYR 37 -11.826 10.282 2.654 301 HE2 TYR 37 2HE TYR 37 -10.992 8.041 6.248 302 HH TYR 37 HH TYR 37 -10.081 10.714 4.105 303 H VAL 38 H VAL 38 -11.510 6.857 1.519 304 HA VAL 38 HA VAL 38 -9.697 4.828 2.522 305 HB VAL 38 HB VAL 38 -9.738 5.946 -0.306 306 HG11 VAL 38 1HG1 VAL 38 -7.350 4.690 1.105 307 HG12 VAL 38 2HG1 VAL 38 -7.427 5.037 -0.644 308 HG13 VAL 38 3HG1 VAL 38 -7.480 6.354 0.512 309 HG21 VAL 38 3HG2 VAL 38 -9.110 3.086 0.308 310 HG22 VAL 38 1HG2 VAL 38 -10.786 3.667 0.067 311 HG23 VAL 38 2HG2 VAL 38 -9.605 3.837 -1.213 312 H ASP 39 H ASP 39 -8.687 5.740 3.969 313 HA ASP 39 HA ASP 39 -8.481 8.557 4.155 314 HB2 ASP 39 1HB ASP 39 -8.438 7.362 6.264 315 HB3 ASP 39 2HB ASP 39 -7.230 6.251 5.672 316 H LEU 40 H LEU 40 -6.554 9.737 3.725 317 HA LEU 40 HA LEU 40 -4.437 8.437 2.187 318 HB2 LEU 40 1HB LEU 40 -5.942 10.893 1.263 319 HB3 LEU 40 2HB LEU 40 -4.431 10.360 0.581 320 HG LEU 40 HG LEU 40 -6.986 8.688 0.523 321 HD11 LEU 40 1HD1 LEU 40 -7.181 9.380 -1.813 322 HD12 LEU 40 2HD1 LEU 40 -7.241 10.782 -0.740 323 HD13 LEU 40 3HD1 LEU 40 -5.749 10.433 -1.642 324 HD21 LEU 40 3HD2 LEU 40 -4.311 8.404 -0.943 325 HD22 LEU 40 1HD2 LEU 40 -4.967 7.304 0.295 326 HD23 LEU 40 2HD2 LEU 40 -5.767 7.439 -1.271 327 HA PRO 41 HA PRO 41 -2.397 11.183 5.018 328 HB2 PRO 41 1HB PRO 41 0.202 10.671 4.328 329 HB3 PRO 41 2HB PRO 41 -0.882 9.544 5.165 330 HG2 PRO 41 1HG PRO 41 -0.056 9.514 2.273 331 HG3 PRO 41 2HG PRO 41 -0.358 8.148 3.405 332 HD2 PRO 41 1HD PRO 41 -2.216 9.213 1.518 333 HD3 PRO 41 2HD PRO 41 -2.550 8.105 2.876 334 H GLU 42 H GLU 42 -0.007 12.596 4.523 335 HA GLU 42 HA GLU 42 -0.954 14.764 2.743 336 HB2 GLU 42 1HB GLU 42 -0.908 15.010 5.286 337 HB3 GLU 42 2HB GLU 42 0.830 14.827 5.219 338 HG2 GLU 42 1HG GLU 42 1.105 16.965 4.689 339 HG3 GLU 42 2HG GLU 42 0.062 16.820 3.265 340 H VAL 43 H VAL 43 0.651 15.691 1.421 341 HA VAL 43 HA VAL 43 2.442 13.799 0.418 342 HB VAL 43 HB VAL 43 0.944 15.778 -0.583 343 HG11 VAL 43 1HG1 VAL 43 2.523 17.542 0.441 344 HG12 VAL 43 2HG1 VAL 43 3.660 17.063 -0.864 345 HG13 VAL 43 3HG1 VAL 43 2.071 17.724 -1.268 346 HG21 VAL 43 3HG2 VAL 43 1.989 14.017 -1.889 347 HG22 VAL 43 1HG2 VAL 43 2.044 15.587 -2.708 348 HG23 VAL 43 2HG2 VAL 43 3.504 14.974 -1.932 349 H GLY 44 H GLY 44 3.245 14.871 3.018 350 HA2 GLY 44 1HA GLY 44 6.122 14.898 2.582 351 HA3 GLY 44 2HA GLY 44 5.514 16.405 3.280 352 H ARG 45 H ARG 45 3.721 13.515 4.189 353 HA ARG 45 HA ARG 45 4.635 13.948 6.967 354 HB2 ARG 45 1HB ARG 45 2.218 13.394 6.179 355 HB3 ARG 45 2HB ARG 45 2.806 11.738 5.974 356 HG2 ARG 45 1HG ARG 45 3.522 11.836 8.451 357 HG3 ARG 45 2HG ARG 45 2.706 13.412 8.536 358 HD2 ARG 45 1HD ARG 45 0.615 12.235 7.661 359 HD3 ARG 45 2HD ARG 45 1.483 10.729 7.852 360 HE ARG 45 HE ARG 45 1.429 10.828 10.133 361 HH11 ARG 45 2HH2 ARG 45 -0.489 13.659 8.842 362 HH12 ARG 45 1HH2 ARG 45 -1.501 13.579 10.193 363 HH21 ARG 45 2HH1 ARG 45 0.134 10.954 11.843 364 HH22 ARG 45 1HH1 ARG 45 -1.007 12.251 12.073 365 H GLU 46 H GLU 46 6.036 12.519 8.142 366 HA GLU 46 HA GLU 46 7.448 10.478 6.579 367 HB2 GLU 46 1HB GLU 46 7.740 11.684 9.318 368 HB3 GLU 46 2HB GLU 46 8.443 10.101 8.980 369 HG2 GLU 46 1HG GLU 46 9.625 11.008 6.986 370 HG3 GLU 46 2HG GLU 46 8.942 12.597 7.325 371 H VAL 47 H VAL 47 7.502 8.240 7.161 372 HA VAL 47 HA VAL 47 5.294 7.256 8.836 373 HB VAL 47 HB VAL 47 4.647 5.655 7.094 374 HG11 VAL 47 1HG1 VAL 47 3.485 7.836 7.386 375 HG12 VAL 47 2HG1 VAL 47 4.452 8.514 6.066 376 HG13 VAL 47 3HG1 VAL 47 3.362 7.164 5.739 377 HG21 VAL 47 3HG2 VAL 47 5.287 5.897 4.755 378 HG22 VAL 47 1HG2 VAL 47 6.387 7.235 5.145 379 HG23 VAL 47 2HG2 VAL 47 6.730 5.585 5.720 380 H LYS 48 H LYS 48 5.480 4.923 9.167 381 HA LYS 48 HA LYS 48 8.246 3.851 9.189 382 HB2 LYS 48 1HB LYS 48 5.903 3.634 11.119 383 HB3 LYS 48 2HB LYS 48 6.986 2.264 10.955 384 HG2 LYS 48 1HG LYS 48 7.854 5.033 11.821 385 HG3 LYS 48 2HG LYS 48 7.562 3.624 12.851 386 HD2 LYS 48 1HD LYS 48 9.336 2.442 11.283 387 HD3 LYS 48 2HD LYS 48 9.810 4.104 10.890 388 HE2 LYS 48 1HE LYS 48 9.775 2.742 13.611 389 HE3 LYS 48 2HE LYS 48 11.199 3.275 12.701 390 HZ1 LYS 48 3HZ LYS 48 10.659 4.824 14.442 391 HZ2 LYS 48 1HZ LYS 48 10.387 5.571 13.009 392 HZ3 LYS 48 2HZ LYS 48 9.130 5.020 13.911 393 H LYS 49 H LYS 49 8.278 1.581 8.754 394 HA LYS 49 HA LYS 49 6.497 0.380 6.935 395 HB2 LYS 49 1HB LYS 49 7.806 -1.566 7.319 396 HB3 LYS 49 2HB LYS 49 8.907 -0.194 7.550 397 HG2 LYS 49 1HG LYS 49 8.254 -0.515 10.119 398 HG3 LYS 49 2HG LYS 49 7.700 -2.106 9.562 399 HD2 LYS 49 1HD LYS 49 10.109 -2.181 8.435 400 HD3 LYS 49 2HD LYS 49 10.486 -0.966 9.647 401 HE2 LYS 49 1HE LYS 49 8.990 -3.039 10.966 402 HE3 LYS 49 2HE LYS 49 10.162 -3.853 9.918 403 HZ1 LYS 49 3HZ LYS 49 10.811 -1.800 11.947 404 HZ2 LYS 49 1HZ LYS 49 11.134 -3.432 12.055 405 HZ3 LYS 49 2HZ LYS 49 11.900 -2.516 10.958 406 H GLY 50 H GLY 50 5.329 1.326 9.637 407 HA2 GLY 50 1HA GLY 50 3.151 -0.316 9.286 408 HA3 GLY 50 2HA GLY 50 3.807 -0.700 10.895 409 H GLU 51 H GLU 51 2.254 1.767 8.874 410 HA GLU 51 HA GLU 51 1.618 3.329 11.276 411 HB2 GLU 51 1HB GLU 51 3.766 4.181 9.878 412 HB3 GLU 51 2HB GLU 51 2.538 4.777 8.768 413 HG2 GLU 51 1HG GLU 51 3.068 6.571 10.238 414 HG3 GLU 51 2HG GLU 51 1.492 5.977 10.795 415 H VAL 52 H VAL 52 -0.574 3.776 11.143 416 HA VAL 52 HA VAL 52 -2.072 2.422 9.148 417 HB VAL 52 HB VAL 52 -2.667 3.988 11.654 418 HG11 VAL 52 1HG1 VAL 52 -4.726 2.832 9.851 419 HG12 VAL 52 2HG1 VAL 52 -4.985 3.006 11.604 420 HG13 VAL 52 3HG1 VAL 52 -4.676 4.412 10.616 421 HG21 VAL 52 3HG2 VAL 52 -2.610 1.095 10.916 422 HG22 VAL 52 1HG2 VAL 52 -1.557 1.947 12.052 423 HG23 VAL 52 2HG2 VAL 52 -3.248 1.685 12.454 424 H VAL 53 H VAL 53 -0.644 4.758 8.062 425 HA VAL 53 HA VAL 53 -2.300 7.040 7.868 426 HB VAL 53 HB VAL 53 -0.488 7.806 6.339 427 HG11 VAL 53 1HG1 VAL 53 0.561 6.321 8.756 428 HG12 VAL 53 2HG1 VAL 53 1.338 7.669 7.929 429 HG13 VAL 53 3HG1 VAL 53 -0.198 7.928 8.761 430 HG21 VAL 53 3HG2 VAL 53 1.422 6.267 5.849 431 HG22 VAL 53 1HG2 VAL 53 0.480 4.913 6.493 432 HG23 VAL 53 2HG2 VAL 53 -0.070 5.779 5.058 433 H ALA 54 H ALA 54 -3.421 4.467 6.561 434 HA ALA 54 HA ALA 54 -4.684 5.764 4.357 435 HB1 ALA 54 1HB ALA 54 -2.803 3.441 3.753 436 HB2 ALA 54 2HB ALA 54 -4.046 4.061 2.628 437 HB3 ALA 54 3HB ALA 54 -2.707 5.106 3.129 438 H SER 55 H SER 55 -5.701 4.954 6.735 439 HA SER 55 HA SER 55 -6.857 2.371 6.873 440 HB2 SER 55 1HB SER 55 -7.849 5.119 7.648 441 HB3 SER 55 2HB SER 55 -8.773 3.695 8.003 442 HG SER 55 HG SER 55 -7.315 3.081 9.537 443 H ILE 56 H ILE 56 -8.966 1.687 6.293 444 HA ILE 56 HA ILE 56 -10.241 3.070 3.991 445 HB ILE 56 HB ILE 56 -9.711 0.090 3.896 446 HG12 ILE 56 1HG1 ILE 56 -7.882 2.114 2.683 447 HG13 ILE 56 2HG1 ILE 56 -7.461 0.966 3.977 448 HG21 ILE 56 1HG2 ILE 56 -10.335 0.436 1.519 449 HG22 ILE 56 2HG2 ILE 56 -11.544 1.153 2.579 450 HG23 ILE 56 3HG2 ILE 56 -10.355 2.197 1.799 451 HD11 ILE 56 3HD1 ILE 56 -8.010 -0.915 2.469 452 HD12 ILE 56 1HD1 ILE 56 -8.183 0.249 1.119 453 HD13 ILE 56 2HD1 ILE 56 -6.634 0.060 1.923 454 H GLU 57 H GLU 57 -12.202 3.488 4.904 455 HA GLU 57 HA GLU 57 -13.472 1.368 6.517 456 HB2 GLU 57 1HB GLU 57 -13.918 4.337 6.455 457 HB3 GLU 57 2HB GLU 57 -15.339 3.290 6.641 458 HG2 GLU 57 1HG GLU 57 -14.159 2.025 8.451 459 HG3 GLU 57 2HG GLU 57 -12.844 3.195 8.384 460 H SER 58 H SER 58 -14.702 0.025 5.471 461 HA SER 58 HA SER 58 -15.834 0.672 2.797 462 HB2 SER 58 1HB SER 58 -16.273 -1.819 2.778 463 HB3 SER 58 2HB SER 58 -14.566 -1.427 2.940 464 HG SER 58 HG SER 58 -15.785 -3.041 4.479 465 H VAL 59 H VAL 59 -17.975 -0.951 2.876 466 HA VAL 59 HA VAL 59 -20.066 0.508 3.811 467 HB VAL 59 HB VAL 59 -21.230 -1.775 3.777 468 HG11 VAL 59 1HG1 VAL 59 -21.327 -0.157 1.928 469 HG12 VAL 59 2HG1 VAL 59 -19.748 -0.688 1.332 470 HG13 VAL 59 3HG1 VAL 59 -21.131 -1.787 1.266 471 HG21 VAL 59 3HG2 VAL 59 -18.673 -2.722 2.402 472 HG22 VAL 59 1HG2 VAL 59 -19.129 -3.192 4.035 473 HG23 VAL 59 2HG2 VAL 59 -20.162 -3.619 2.670 474 H LYS 60 H LYS 60 -18.590 -2.247 5.742 475 HA LYS 60 HA LYS 60 -19.006 -0.588 8.046 476 HB2 LYS 60 1HB LYS 60 -21.244 -1.943 7.492 477 HB3 LYS 60 2HB LYS 60 -20.429 -3.261 8.297 478 HG2 LYS 60 1HG LYS 60 -20.998 -0.479 9.451 479 HG3 LYS 60 2HG LYS 60 -21.942 -1.937 9.731 480 HD2 LYS 60 1HD LYS 60 -19.752 -2.949 10.685 481 HD3 LYS 60 2HD LYS 60 -19.171 -1.264 10.757 482 HE2 LYS 60 1HE LYS 60 -21.260 -0.777 12.131 483 HE3 LYS 60 2HE LYS 60 -21.640 -2.501 12.046 484 HZ1 LYS 60 3HZ LYS 60 -20.556 -2.196 14.039 485 HZ2 LYS 60 1HZ LYS 60 -19.373 -2.842 13.123 486 HZ3 LYS 60 2HZ LYS 60 -19.379 -1.229 13.418 487 H ALA 61 H ALA 61 -16.577 -1.241 7.143 488 HA ALA 61 HA ALA 61 -15.607 -2.455 9.538 489 HB1 ALA 61 1HB ALA 61 -14.073 -4.068 8.490 490 HB2 ALA 61 2HB ALA 61 -15.751 -4.493 8.108 491 HB3 ALA 61 3HB ALA 61 -14.742 -3.684 6.887 492 H ALA 62 H ALA 62 -12.985 -2.357 9.267 493 HA ALA 62 HA ALA 62 -12.181 0.017 7.771 494 HB1 ALA 62 1HB ALA 62 -11.073 0.997 9.730 495 HB2 ALA 62 2HB ALA 62 -12.825 0.933 9.921 496 HB3 ALA 62 3HB ALA 62 -11.798 -0.236 10.775 497 H ALA 63 H ALA 63 -10.458 -0.755 6.656 498 HA ALA 63 HA ALA 63 -8.583 -2.677 7.978 499 HB1 ALA 63 1HB ALA 63 -7.594 -3.034 5.783 500 HB2 ALA 63 2HB ALA 63 -9.332 -3.424 5.744 501 HB3 ALA 63 3HB ALA 63 -8.734 -1.889 5.040 502 H ASP 64 H ASP 64 -7.445 -1.260 9.358 503 HA ASP 64 HA ASP 64 -6.248 1.198 8.478 504 HB2 ASP 64 1HB ASP 64 -5.543 -0.806 10.670 505 HB3 ASP 64 2HB ASP 64 -4.688 0.710 10.401 506 H VAL 65 H VAL 65 -4.921 1.207 6.641 507 HA VAL 65 HA VAL 65 -3.454 -1.191 5.922 508 HB VAL 65 HB VAL 65 -3.431 1.560 4.710 509 HG11 VAL 65 1HG1 VAL 65 -2.069 -1.025 3.804 510 HG12 VAL 65 2HG1 VAL 65 -2.225 0.427 2.800 511 HG13 VAL 65 3HG1 VAL 65 -1.258 0.482 4.262 512 HG21 VAL 65 3HG2 VAL 65 -4.581 -1.087 3.708 513 HG22 VAL 65 1HG2 VAL 65 -5.528 0.208 4.433 514 HG23 VAL 65 2HG2 VAL 65 -4.696 0.514 2.903 515 H TYR 66 H TYR 66 -1.603 -1.602 7.229 516 HA TYR 66 HA TYR 66 -0.184 0.685 8.402 517 HB2 TYR 66 1HB TYR 66 0.694 -2.248 8.478 518 HB3 TYR 66 2HB TYR 66 1.235 -0.914 9.464 519 HD1 TYR 66 1HD TYR 66 -0.086 -0.074 11.318 520 HD2 TYR 66 2HD TYR 66 -1.470 -3.331 8.854 521 HE1 TYR 66 1HE TYR 66 -1.880 -0.569 12.963 522 HE2 TYR 66 2HE TYR 66 -3.236 -3.834 10.429 523 HH TYR 66 HH TYR 66 -4.422 -2.997 12.390 524 H ALA 67 H ALA 67 0.893 1.802 7.068 525 HA ALA 67 HA ALA 67 1.851 1.520 4.653 526 HB1 ALA 67 1HB ALA 67 2.158 3.600 5.921 527 HB2 ALA 67 2HB ALA 67 3.333 2.814 6.980 528 HB3 ALA 67 3HB ALA 67 3.758 3.124 5.291 529 HA PRO 68 HA PRO 68 4.503 -1.748 4.669 530 HB2 PRO 68 1HB PRO 68 5.569 -1.816 2.181 531 HB3 PRO 68 2HB PRO 68 3.807 -1.890 2.472 532 HG2 PRO 68 1HG PRO 68 5.439 0.517 1.647 533 HG3 PRO 68 2HG PRO 68 3.852 -0.054 1.032 534 HD2 PRO 68 1HD PRO 68 4.163 1.919 2.981 535 HD3 PRO 68 2HD PRO 68 2.710 0.898 2.809 536 H LEU 69 H LEU 69 6.331 1.196 3.838 537 HA LEU 69 HA LEU 69 8.816 -0.017 4.924 538 HB2 LEU 69 1HB LEU 69 8.408 1.587 2.371 539 HB3 LEU 69 2HB LEU 69 9.882 1.797 3.284 540 HG LEU 69 HG LEU 69 10.188 0.321 1.416 541 HD11 LEU 69 1HD1 LEU 69 11.283 -1.602 2.604 542 HD12 LEU 69 2HD1 LEU 69 11.701 -0.013 3.235 543 HD13 LEU 69 3HD1 LEU 69 10.546 -1.060 4.110 544 HD21 LEU 69 3HD2 LEU 69 9.212 -1.837 1.190 545 HD22 LEU 69 1HD2 LEU 69 8.415 -1.711 2.761 546 HD23 LEU 69 2HD2 LEU 69 7.886 -0.671 1.426 547 H SER 70 H SER 70 10.219 1.684 5.833 548 HA SER 70 HA SER 70 8.733 3.971 6.945 549 HB2 SER 70 1HB SER 70 11.615 3.043 7.314 550 HB3 SER 70 2HB SER 70 10.781 4.311 8.240 551 HG SER 70 HG SER 70 10.864 1.939 9.036 552 H GLY 71 H GLY 71 9.450 6.147 6.407 553 HA2 GLY 71 1HA GLY 71 11.190 7.073 4.505 554 HA3 GLY 71 2HA GLY 71 9.912 6.294 3.559 555 H LYS 72 H LYS 72 9.298 8.467 2.773 556 HA LYS 72 HA LYS 72 7.421 9.782 4.656 557 HB2 LYS 72 1HB LYS 72 9.634 10.979 4.783 558 HB3 LYS 72 2HB LYS 72 9.566 11.237 3.066 559 HG2 LYS 72 1HG LYS 72 7.206 12.413 3.682 560 HG3 LYS 72 2HG LYS 72 7.940 12.485 5.278 561 HD2 LYS 72 1HD LYS 72 8.449 14.544 4.239 562 HD3 LYS 72 2HD LYS 72 9.948 13.603 4.171 563 HE2 LYS 72 1HE LYS 72 9.465 12.943 1.855 564 HE3 LYS 72 2HE LYS 72 7.880 13.732 1.906 565 HZ1 LYS 72 3HZ LYS 72 10.348 15.226 2.411 566 HZ2 LYS 72 1HZ LYS 72 9.869 14.936 0.877 567 HZ3 LYS 72 2HZ LYS 72 8.906 15.822 1.856 568 H ILE 73 H ILE 73 5.586 10.556 3.650 569 HA ILE 73 HA ILE 73 4.926 9.531 1.046 570 HB ILE 73 HB ILE 73 3.590 11.660 2.722 571 HG12 ILE 73 1HG1 ILE 73 3.616 9.924 4.254 572 HG13 ILE 73 2HG1 ILE 73 2.064 9.763 3.471 573 HG21 ILE 73 1HG2 ILE 73 1.501 11.013 1.622 574 HG22 ILE 73 2HG2 ILE 73 2.660 11.520 0.421 575 HG23 ILE 73 3HG2 ILE 73 2.349 9.788 0.648 576 HD11 ILE 73 3HD1 ILE 73 3.290 8.049 1.928 577 HD12 ILE 73 1HD1 ILE 73 4.478 7.988 3.246 578 HD13 ILE 73 2HD1 ILE 73 2.782 7.569 3.560 579 H VAL 74 H VAL 74 4.693 10.684 -0.925 580 HA VAL 74 HA VAL 74 5.307 13.555 -1.011 581 HB VAL 74 HB VAL 74 7.026 13.080 -2.843 582 HG11 VAL 74 1HG1 VAL 74 7.761 13.604 -0.505 583 HG12 VAL 74 2HG1 VAL 74 7.921 11.857 -0.205 584 HG13 VAL 74 3HG1 VAL 74 8.923 12.635 -1.419 585 HG21 VAL 74 3HG2 VAL 74 6.407 10.786 -3.452 586 HG22 VAL 74 1HG2 VAL 74 8.116 10.901 -3.013 587 HG23 VAL 74 2HG2 VAL 74 6.962 10.201 -1.869 588 H GLU 75 H GLU 75 3.359 10.933 -1.952 589 HA GLU 75 HA GLU 75 1.893 12.684 -3.637 590 HB2 GLU 75 1HB GLU 75 3.757 10.911 -4.940 591 HB3 GLU 75 2HB GLU 75 2.145 10.230 -5.109 592 HG2 GLU 75 1HG GLU 75 1.330 12.157 -6.240 593 HG3 GLU 75 2HG GLU 75 2.753 13.108 -5.822 594 H VAL 76 H VAL 76 -0.314 11.634 -3.942 595 HA VAL 76 HA VAL 76 -0.880 9.319 -2.213 596 HB VAL 76 HB VAL 76 -2.648 10.646 -1.078 597 HG11 VAL 76 1HG1 VAL 76 -1.245 11.755 0.537 598 HG12 VAL 76 2HG1 VAL 76 -0.413 10.288 -0.001 599 HG13 VAL 76 3HG1 VAL 76 0.097 11.887 -0.598 600 HG21 VAL 76 3HG2 VAL 76 -1.301 13.057 -2.383 601 HG22 VAL 76 1HG2 VAL 76 -2.946 12.477 -2.680 602 HG23 VAL 76 2HG2 VAL 76 -2.515 13.136 -1.092 603 H ASN 77 H ASN 77 -2.903 8.279 -2.876 604 HA ASN 77 HA ASN 77 -3.460 8.973 -5.660 605 HB2 ASN 77 1HB ASN 77 -3.123 6.592 -4.852 606 HB3 ASN 77 2HB ASN 77 -4.673 6.703 -4.055 607 HD21 ASN 77 1HD2 ASN 77 -5.180 4.893 -5.639 608 HD22 ASN 77 2HD2 ASN 77 -5.688 5.300 -7.245 609 H GLU 78 H GLU 78 -4.438 11.087 -5.070 610 HA GLU 78 HA GLU 78 -6.750 11.265 -3.554 611 HB2 GLU 78 1HB GLU 78 -7.022 13.476 -4.758 612 HB3 GLU 78 2HB GLU 78 -5.535 13.231 -3.853 613 HG2 GLU 78 1HG GLU 78 -4.219 12.970 -5.806 614 HG3 GLU 78 2HG GLU 78 -5.631 12.612 -6.807 615 H LYS 79 H LYS 79 -6.576 9.938 -6.606 616 HA LYS 79 HA LYS 79 -9.306 10.176 -7.396 617 HB2 LYS 79 1HB LYS 79 -7.090 8.263 -7.998 618 HB3 LYS 79 2HB LYS 79 -8.651 7.501 -7.980 619 HG2 LYS 79 1HG LYS 79 -9.396 9.592 -9.368 620 HG3 LYS 79 2HG LYS 79 -7.683 9.764 -9.724 621 HD2 LYS 79 1HD LYS 79 -8.769 8.618 -11.498 622 HD3 LYS 79 2HD LYS 79 -7.759 7.427 -10.667 623 HE2 LYS 79 1HE LYS 79 -9.650 6.336 -9.727 624 HE3 LYS 79 2HE LYS 79 -10.678 7.766 -9.942 625 HZ1 LYS 79 3HZ LYS 79 -11.326 6.229 -11.558 626 HZ2 LYS 79 1HZ LYS 79 -10.578 7.416 -12.323 627 HZ3 LYS 79 2HZ LYS 79 -9.777 5.981 -12.129 628 H LEU 80 H LEU 80 -7.788 7.968 -5.062 629 HA LEU 80 HA LEU 80 -10.094 6.325 -4.634 630 HB2 LEU 80 1HB LEU 80 -7.661 6.852 -2.909 631 HB3 LEU 80 2HB LEU 80 -8.923 5.737 -2.486 632 HG LEU 80 HG LEU 80 -6.612 5.209 -4.018 633 HD11 LEU 80 1HD1 LEU 80 -7.478 2.908 -4.033 634 HD12 LEU 80 2HD1 LEU 80 -7.642 3.684 -2.464 635 HD13 LEU 80 3HD1 LEU 80 -9.074 3.534 -3.524 636 HD21 LEU 80 3HD2 LEU 80 -7.522 4.081 -6.055 637 HD22 LEU 80 1HD2 LEU 80 -9.148 4.664 -5.693 638 HD23 LEU 80 2HD2 LEU 80 -7.867 5.799 -6.162 639 H ASP 81 H ASP 81 -9.420 9.528 -3.458 640 HA ASP 81 HA ASP 81 -11.232 9.635 -1.223 641 HB2 ASP 81 1HB ASP 81 -9.374 11.260 -2.002 642 HB3 ASP 81 2HB ASP 81 -10.523 11.827 -3.201 643 H THR 82 H THR 82 -11.719 9.254 -4.614 644 HA THR 82 HA THR 82 -14.605 9.980 -4.413 645 HB THR 82 HB THR 82 -14.497 10.986 -6.588 646 HG1 THR 82 1HG THR 82 -11.820 10.116 -6.546 647 HG21 THR 82 3HG2 THR 82 -13.204 12.979 -6.181 648 HG22 THR 82 1HG2 THR 82 -13.903 12.447 -4.640 649 HG23 THR 82 2HG2 THR 82 -12.183 12.157 -4.988 650 H GLU 83 H GLU 83 -12.196 7.747 -5.775 651 HA GLU 83 HA GLU 83 -14.415 5.879 -6.448 652 HB2 GLU 83 1HB GLU 83 -11.789 6.305 -7.860 653 HB3 GLU 83 2HB GLU 83 -12.881 4.946 -8.189 654 HG2 GLU 83 1HG GLU 83 -14.566 7.111 -8.535 655 HG3 GLU 83 2HG GLU 83 -13.017 7.747 -9.120 656 HA PRO 84 HA PRO 84 -11.405 4.201 -3.249 657 HB2 PRO 84 1HB PRO 84 -13.390 3.526 -1.383 658 HB3 PRO 84 2HB PRO 84 -12.391 5.008 -1.372 659 HG2 PRO 84 1HG PRO 84 -15.222 4.625 -2.231 660 HG3 PRO 84 2HG PRO 84 -14.414 6.096 -1.587 661 HD2 PRO 84 1HD PRO 84 -15.032 5.664 -4.270 662 HD3 PRO 84 2HD PRO 84 -13.784 6.785 -3.692 663 H GLU 85 H GLU 85 -14.101 3.135 -5.069 664 HA GLU 85 HA GLU 85 -13.929 0.329 -4.370 665 HB2 GLU 85 1HB GLU 85 -15.797 1.777 -5.711 666 HB3 GLU 85 2HB GLU 85 -14.874 1.248 -7.102 667 HG2 GLU 85 1HG GLU 85 -15.288 -1.058 -6.662 668 HG3 GLU 85 2HG GLU 85 -15.731 -0.761 -4.982 669 H LEU 86 H LEU 86 -11.743 2.330 -6.181 670 HA LEU 86 HA LEU 86 -11.269 0.482 -8.254 671 HB2 LEU 86 1HB LEU 86 -9.869 2.929 -7.256 672 HB3 LEU 86 2HB LEU 86 -8.865 1.790 -8.121 673 HG LEU 86 HG LEU 86 -11.273 3.300 -9.223 674 HD11 LEU 86 1HD1 LEU 86 -8.947 4.301 -9.209 675 HD12 LEU 86 2HD1 LEU 86 -8.418 2.880 -10.142 676 HD13 LEU 86 3HD1 LEU 86 -9.584 4.011 -10.849 677 HD21 LEU 86 3HD2 LEU 86 -11.529 1.087 -10.206 678 HD22 LEU 86 1HD2 LEU 86 -10.689 2.053 -11.407 679 HD23 LEU 86 2HD2 LEU 86 -9.761 0.904 -10.430 680 H ILE 87 H ILE 87 -10.240 0.160 -4.972 681 HA ILE 87 HA ILE 87 -8.032 -1.572 -5.544 682 HB ILE 87 HB ILE 87 -9.913 -1.730 -3.148 683 HG12 ILE 87 1HG1 ILE 87 -7.748 -0.525 -2.109 684 HG13 ILE 87 2HG1 ILE 87 -7.574 0.135 -3.725 685 HG21 ILE 87 1HG2 ILE 87 -8.270 -3.657 -3.640 686 HG22 ILE 87 2HG2 ILE 87 -6.968 -2.500 -3.442 687 HG23 ILE 87 3HG2 ILE 87 -8.116 -2.876 -2.114 688 HD11 ILE 87 3HD1 ILE 87 -9.723 1.239 -3.517 689 HD12 ILE 87 1HD1 ILE 87 -10.107 0.327 -2.028 690 HD13 ILE 87 2HD1 ILE 87 -8.820 1.534 -2.018 691 H ASN 88 H ASN 88 -11.619 -2.084 -5.686 692 HA ASN 88 HA ASN 88 -11.558 -4.964 -5.706 693 HB2 ASN 88 1HB ASN 88 -13.392 -3.008 -7.165 694 HB3 ASN 88 2HB ASN 88 -13.581 -4.747 -7.047 695 HD21 ASN 88 1HD2 ASN 88 -13.104 -2.232 -4.410 696 HD22 ASN 88 2HD2 ASN 88 -14.322 -3.034 -3.418 697 H LYS 89 H LYS 89 -11.305 -2.468 -8.055 698 HA LYS 89 HA LYS 89 -11.473 -4.009 -10.464 699 HB2 LYS 89 1HB LYS 89 -10.742 -1.149 -9.674 700 HB3 LYS 89 2HB LYS 89 -10.724 -1.609 -11.317 701 HG2 LYS 89 1HG LYS 89 -13.190 -2.661 -10.310 702 HG3 LYS 89 2HG LYS 89 -12.968 -1.169 -9.405 703 HD2 LYS 89 1HD LYS 89 -12.847 0.061 -11.589 704 HD3 LYS 89 2HD LYS 89 -13.169 -1.465 -12.443 705 HE2 LYS 89 1HE LYS 89 -15.347 -1.656 -11.561 706 HE3 LYS 89 2HE LYS 89 -14.941 -0.716 -10.123 707 HZ1 LYS 89 3HZ LYS 89 -14.828 1.252 -11.510 708 HZ2 LYS 89 1HZ LYS 89 -15.463 0.411 -12.792 709 HZ3 LYS 89 2HZ LYS 89 -16.299 0.610 -11.354 710 H ASP 90 H ASP 90 -8.824 -2.099 -9.040 711 HA ASP 90 HA ASP 90 -6.803 -3.708 -10.518 712 HB2 ASP 90 1HB ASP 90 -7.240 -0.698 -10.522 713 HB3 ASP 90 2HB ASP 90 -5.792 -1.451 -11.070 714 HA PRO 91 HA PRO 91 -6.110 -2.509 -6.000 715 HB2 PRO 91 1HB PRO 91 -5.075 -5.068 -5.290 716 HB3 PRO 91 2HB PRO 91 -6.687 -4.451 -4.904 717 HG2 PRO 91 1HG PRO 91 -5.860 -6.406 -6.950 718 HG3 PRO 91 2HG PRO 91 -7.470 -6.150 -6.192 719 HD2 PRO 91 1HD PRO 91 -6.641 -5.386 -8.810 720 HD3 PRO 91 2HD PRO 91 -8.092 -4.786 -7.983 721 H GLU 92 H GLU 92 -4.345 -3.796 -8.619 722 HA GLU 92 HA GLU 92 -1.774 -3.060 -7.384 723 HB2 GLU 92 1HB GLU 92 -1.260 -5.220 -9.141 724 HB3 GLU 92 2HB GLU 92 -0.829 -5.002 -7.467 725 HG2 GLU 92 1HG GLU 92 -3.253 -6.008 -6.953 726 HG3 GLU 92 2HG GLU 92 -3.171 -6.513 -8.638 727 H GLY 93 H GLY 93 -3.642 -1.583 -8.983 728 HA2 GLY 93 1HA GLY 93 -1.707 -0.650 -10.993 729 HA3 GLY 93 2HA GLY 93 -3.341 -1.042 -11.575 730 H GLU 94 H GLU 94 -4.776 0.670 -11.505 731 HA GLU 94 HA GLU 94 -3.990 3.099 -10.279 732 HB2 GLU 94 1HB GLU 94 -6.436 2.131 -11.699 733 HB3 GLU 94 2HB GLU 94 -6.539 3.653 -10.822 734 HG2 GLU 94 1HG GLU 94 -4.415 3.131 -12.906 735 HG3 GLU 94 2HG GLU 94 -5.978 3.856 -13.258 736 H GLY 95 H GLY 95 -5.564 0.381 -8.742 737 HA2 GLY 95 1HA GLY 95 -6.724 1.957 -6.574 738 HA3 GLY 95 2HA GLY 95 -6.603 0.229 -6.688 739 H TRP 96 H TRP 96 -3.913 2.528 -7.144 740 HA TRP 96 HA TRP 96 -2.317 1.436 -4.956 741 HB2 TRP 96 1HB TRP 96 -0.735 3.191 -5.511 742 HB3 TRP 96 2HB TRP 96 -1.206 2.322 -6.922 743 HD1 TRP 96 HD TRP 96 -2.908 3.666 -8.598 744 HE1 TRP 96 1HE TRP 96 -3.044 6.121 -9.207 745 HE3 TRP 96 3HE TRP 96 -0.314 5.567 -4.603 746 HZ2 TRP 96 2HZ TRP 96 -2.054 8.636 -8.114 747 HZ3 TRP 96 3HZ TRP 96 0.028 8.087 -4.436 748 HH2 TRP 96 HH TRP 96 -0.739 9.557 -6.233 749 H LEU 97 H LEU 97 -1.690 2.908 -3.088 750 HA LEU 97 HA LEU 97 -3.987 4.657 -2.315 751 HB2 LEU 97 1HB LEU 97 -2.238 3.312 -0.307 752 HB3 LEU 97 2HB LEU 97 -3.720 4.242 -0.069 753 HG LEU 97 HG LEU 97 -4.198 1.847 -1.720 754 HD11 LEU 97 1HD1 LEU 97 -3.759 0.212 0.029 755 HD12 LEU 97 2HD1 LEU 97 -2.244 1.048 -0.370 756 HD13 LEU 97 3HD1 LEU 97 -3.123 1.483 1.097 757 HD21 LEU 97 3HD2 LEU 97 -5.282 2.547 1.052 758 HD22 LEU 97 1HD2 LEU 97 -5.963 3.162 -0.479 759 HD23 LEU 97 2HD2 LEU 97 -5.972 1.422 -0.132 760 H PHE 98 H PHE 98 -0.212 4.224 -1.580 761 HA PHE 98 HA PHE 98 -0.322 7.124 -2.326 762 HB2 PHE 98 1HB PHE 98 0.852 7.833 -0.294 763 HB3 PHE 98 2HB PHE 98 -0.794 7.312 -0.026 764 HD1 PHE 98 1HD PHE 98 2.763 6.457 0.546 765 HD2 PHE 98 2HD PHE 98 -1.325 5.334 1.296 766 HE1 PHE 98 1HE PHE 98 3.506 5.040 2.460 767 HE2 PHE 98 2HE PHE 98 -0.571 3.839 3.143 768 HZ PHE 98 HZ PHE 98 1.821 3.695 3.699 769 H LYS 99 H LYS 99 2.073 8.016 -1.944 770 HA LYS 99 HA LYS 99 3.975 6.038 -3.063 771 HB2 LYS 99 1HB LYS 99 3.168 8.723 -4.149 772 HB3 LYS 99 2HB LYS 99 4.715 8.086 -4.501 773 HG2 LYS 99 1HG LYS 99 3.901 6.234 -5.712 774 HG3 LYS 99 2HG LYS 99 2.263 6.407 -5.067 775 HD2 LYS 99 1HD LYS 99 1.919 8.462 -6.338 776 HD3 LYS 99 2HD LYS 99 3.559 8.371 -6.984 777 HE2 LYS 99 1HE LYS 99 3.037 6.203 -8.038 778 HE3 LYS 99 2HE LYS 99 1.461 6.163 -7.229 779 HZ1 LYS 99 3HZ LYS 99 0.847 8.151 -8.533 780 HZ2 LYS 99 1HZ LYS 99 2.261 8.044 -9.344 781 HZ3 LYS 99 2HZ LYS 99 1.165 6.803 -9.437 782 H MET 100 H MET 100 5.837 6.197 -2.043 783 HA MET 100 HA MET 100 6.345 8.524 -0.277 784 HB2 MET 100 1HB MET 100 7.197 6.751 1.355 785 HB3 MET 100 2HB MET 100 5.474 7.069 1.297 786 HG2 MET 100 1HG MET 100 4.936 5.079 0.210 787 HG3 MET 100 2HG MET 100 6.544 4.770 -0.362 788 HE1 MET 100 3HE MET 100 8.580 4.612 1.621 789 HE2 MET 100 1HE MET 100 7.852 5.475 3.004 790 HE3 MET 100 2HE MET 100 8.293 3.779 3.160 791 H GLU 101 H GLU 101 8.443 9.068 -0.052 792 HA GLU 101 HA GLU 101 10.415 7.983 -1.878 793 HB2 GLU 101 1HB GLU 101 10.252 10.446 -0.979 794 HB3 GLU 101 2HB GLU 101 10.929 9.780 0.520 795 HG2 GLU 101 1HG GLU 101 12.790 8.778 -1.031 796 HG3 GLU 101 2HG GLU 101 12.146 9.852 -2.268 797 H ILE 102 H ILE 102 12.099 6.606 -1.233 798 HA ILE 102 HA ILE 102 11.697 5.221 1.377 799 HB ILE 102 HB ILE 102 13.313 3.563 0.291 800 HG12 ILE 102 1HG1 ILE 102 12.355 4.847 -2.307 801 HG13 ILE 102 2HG1 ILE 102 13.970 5.054 -1.639 802 HG21 ILE 102 1HG2 ILE 102 10.482 3.916 -0.784 803 HG22 ILE 102 2HG2 ILE 102 11.395 2.384 -0.798 804 HG23 ILE 102 3HG2 ILE 102 10.942 3.129 0.735 805 HD11 ILE 102 3HD1 ILE 102 14.076 3.356 -3.330 806 HD12 ILE 102 1HD1 ILE 102 14.287 2.554 -1.763 807 HD13 ILE 102 2HD1 ILE 102 12.734 2.459 -2.611 808 H SER 103 H SER 103 13.445 4.970 2.754 809 HA SER 103 HA SER 103 15.698 6.883 2.444 810 HB2 SER 103 1HB SER 103 13.895 6.345 4.849 811 HB3 SER 103 2HB SER 103 15.278 7.435 4.808 812 HG SER 103 HG SER 103 14.153 8.593 3.100 813 H ASP 104 H ASP 104 14.680 3.673 3.180 814 HA ASP 104 HA ASP 104 17.341 2.869 4.161 815 HB2 ASP 104 1HB ASP 104 14.678 2.246 5.533 816 HB3 ASP 104 2HB ASP 104 16.187 1.412 5.856 817 H GLU 105 H GLU 105 17.297 2.134 1.719 818 HA GLU 105 HA GLU 105 15.192 0.404 0.853 819 HB2 GLU 105 1HB GLU 105 16.128 1.551 -0.884 820 HB3 GLU 105 2HB GLU 105 17.741 1.608 -0.154 821 HG2 GLU 105 1HG GLU 105 18.158 -0.634 -0.689 822 HG3 GLU 105 2HG GLU 105 16.530 -0.864 -1.369 823 H GLY 106 H GLY 106 17.607 0.004 2.999 824 HA2 GLY 106 1HA GLY 106 18.538 -2.727 2.583 825 HA3 GLY 106 2HA GLY 106 18.544 -1.857 4.130 826 H GLU 107 H GLU 107 15.710 -1.200 4.155 827 HA GLU 107 HA GLU 107 14.807 -3.582 5.503 828 HB2 GLU 107 1HB GLU 107 13.419 -1.001 4.672 829 HB3 GLU 107 2HB GLU 107 12.568 -2.291 5.510 830 HG2 GLU 107 1HG GLU 107 14.967 -0.770 6.587 831 HG3 GLU 107 2HG GLU 107 13.285 -0.560 7.075 832 H LEU 108 H LEU 108 14.316 -2.382 2.169 833 HA LEU 108 HA LEU 108 12.094 -3.658 1.362 834 HB2 LEU 108 1HB LEU 108 14.638 -3.757 -0.174 835 HB3 LEU 108 2HB LEU 108 13.027 -3.948 -0.823 836 HG LEU 108 HG LEU 108 14.419 -1.435 -0.040 837 HD11 LEU 108 1HD1 LEU 108 12.813 -2.175 -2.475 838 HD12 LEU 108 2HD1 LEU 108 13.846 -0.720 -2.214 839 HD13 LEU 108 3HD1 LEU 108 14.597 -2.303 -2.298 840 HD21 LEU 108 3HD2 LEU 108 12.573 -0.874 1.068 841 HD22 LEU 108 1HD2 LEU 108 12.259 -0.206 -0.518 842 HD23 LEU 108 2HD2 LEU 108 11.451 -1.731 -0.048 843 H GLU 109 H GLU 109 15.213 -5.355 2.100 844 HA GLU 109 HA GLU 109 14.275 -7.834 0.814 845 HB2 GLU 109 1HB GLU 109 16.723 -7.028 2.395 846 HB3 GLU 109 2HB GLU 109 16.475 -8.686 1.838 847 HG2 GLU 109 1HG GLU 109 16.328 -6.391 -0.161 848 HG3 GLU 109 2HG GLU 109 17.881 -6.986 0.404 849 H ASP 110 H ASP 110 13.860 -6.360 3.891 850 HA ASP 110 HA ASP 110 13.462 -8.752 5.507 851 HB2 ASP 110 1HB ASP 110 14.110 -6.456 6.374 852 HB3 ASP 110 2HB ASP 110 12.484 -5.919 5.960 853 H LEU 111 H LEU 111 11.559 -6.651 3.289 854 HA LEU 111 HA LEU 111 8.951 -7.536 4.118 855 HB2 LEU 111 1HB LEU 111 10.020 -6.630 1.445 856 HB3 LEU 111 2HB LEU 111 8.331 -6.843 1.777 857 HG LEU 111 HG LEU 111 9.192 -4.503 1.624 858 HD11 LEU 111 1HD1 LEU 111 7.750 -3.663 3.463 859 HD12 LEU 111 2HD1 LEU 111 6.987 -5.043 2.697 860 HD13 LEU 111 3HD1 LEU 111 7.824 -5.232 4.264 861 HD21 LEU 111 3HD2 LEU 111 11.137 -4.849 2.714 862 HD22 LEU 111 1HD2 LEU 111 10.265 -3.431 3.309 863 HD23 LEU 111 2HD2 LEU 111 10.354 -4.902 4.317 864 H LEU 112 H LEU 112 7.486 -8.895 2.522 865 HA LEU 112 HA LEU 112 8.788 -11.344 1.847 866 HB2 LEU 112 1HB LEU 112 6.149 -10.378 0.732 867 HB3 LEU 112 2HB LEU 112 6.753 -11.994 1.005 868 HG LEU 112 HG LEU 112 5.084 -11.725 2.517 869 HD11 LEU 112 1HD1 LEU 112 6.017 -11.912 4.739 870 HD12 LEU 112 2HD1 LEU 112 7.071 -12.730 3.578 871 HD13 LEU 112 3HD1 LEU 112 7.525 -11.138 4.217 872 HD21 LEU 112 3HD2 LEU 112 5.984 -9.085 3.480 873 HD22 LEU 112 1HD2 LEU 112 4.695 -9.473 2.286 874 HD23 LEU 112 2HD2 LEU 112 4.550 -10.044 3.945 875 H ASP 113 H ASP 113 9.939 -11.684 0.076 876 HA ASP 113 HA ASP 113 9.930 -10.177 -2.400 877 HB2 ASP 113 1HB ASP 113 10.654 -13.069 -1.726 878 HB3 ASP 113 2HB ASP 113 10.850 -12.344 -3.324 879 H GLU 114 H GLU 114 9.028 -11.555 -4.397 880 HA GLU 114 HA GLU 114 6.174 -11.386 -4.173 881 HB2 GLU 114 1HB GLU 114 7.587 -10.784 -6.165 882 HB3 GLU 114 2HB GLU 114 7.944 -12.518 -6.337 883 HG2 GLU 114 1HG GLU 114 5.585 -12.990 -6.787 884 HG3 GLU 114 2HG GLU 114 5.165 -11.294 -6.547 885 H GLN 115 H GLN 115 8.471 -14.158 -4.372 886 HA GLN 115 HA GLN 115 6.472 -16.218 -4.446 887 HB2 GLN 115 1HB GLN 115 8.660 -16.741 -5.169 888 HB3 GLN 115 2HB GLN 115 9.410 -15.937 -3.773 889 HG2 GLN 115 1HG GLN 115 8.788 -17.620 -2.281 890 HG3 GLN 115 2HG GLN 115 7.702 -18.396 -3.447 891 HE21 GLN 115 1HE2 GLN 115 11.062 -17.253 -4.343 892 HE22 GLN 115 2HE2 GLN 115 11.628 -18.897 -4.554 893 H ALA 116 H ALA 116 8.369 -14.594 -1.879 894 HA ALA 116 HA ALA 116 7.283 -16.176 0.272 895 HB1 ALA 116 1HB ALA 116 8.276 -14.457 1.750 896 HB2 ALA 116 2HB ALA 116 9.415 -14.989 0.497 897 HB3 ALA 116 3HB ALA 116 8.586 -13.422 0.340 898 H TYR 117 H TYR 117 6.240 -13.114 -1.249 899 HA TYR 117 HA TYR 117 4.142 -12.431 0.487 900 HB2 TYR 117 1HB TYR 117 4.843 -10.932 -1.249 901 HB3 TYR 117 2HB TYR 117 4.674 -12.143 -2.492 902 HD1 TYR 117 1HD TYR 117 2.521 -10.452 0.050 903 HD2 TYR 117 2HD TYR 117 2.842 -12.088 -3.908 904 HE1 TYR 117 1HE TYR 117 0.147 -9.881 -0.344 905 HE2 TYR 117 2HE TYR 117 0.501 -11.509 -4.361 906 HH TYR 117 HH TYR 117 -1.373 -10.459 -3.550 907 H GLN 118 H GLN 118 4.075 -14.527 -2.425 908 HA GLN 118 HA GLN 118 1.358 -15.301 -2.233 909 HB2 GLN 118 1HB GLN 118 1.906 -16.294 -4.151 910 HB3 GLN 118 2HB GLN 118 3.579 -15.826 -3.879 911 HG2 GLN 118 1HG GLN 118 4.042 -17.995 -2.776 912 HG3 GLN 118 2HG GLN 118 2.363 -18.469 -3.032 913 HE21 GLN 118 1HE2 GLN 118 2.456 -20.020 -4.634 914 HE22 GLN 118 2HE2 GLN 118 3.214 -19.800 -6.187 915 H GLU 119 H GLU 119 4.333 -16.669 -0.777 916 HA GLU 119 HA GLU 119 3.150 -18.896 0.336 917 HB2 GLU 119 1HB GLU 119 5.666 -18.188 0.043 918 HB3 GLU 119 2HB GLU 119 5.475 -17.434 1.627 919 HG2 GLU 119 1HG GLU 119 4.378 -19.905 2.111 920 HG3 GLU 119 2HG GLU 119 5.471 -20.317 0.802 921 H PHE 120 H PHE 120 3.549 -15.576 1.779 922 HA PHE 120 HA PHE 120 2.364 -16.341 4.304 923 HB2 PHE 120 1HB PHE 120 3.725 -14.264 4.014 924 HB3 PHE 120 2HB PHE 120 2.445 -13.596 3.011 925 HD1 PHE 120 2HD PHE 120 2.856 -15.282 6.385 926 HD2 PHE 120 1HD PHE 120 0.725 -12.313 4.078 927 HE1 PHE 120 2HE PHE 120 1.609 -14.600 8.395 928 HE2 PHE 120 1HE PHE 120 -0.574 -11.707 6.063 929 HZ PHE 120 HZ PHE 120 -0.040 -12.695 8.255 930 H CYS 121 H CYS 121 1.057 -14.717 1.367 931 HA CYS 121 HA CYS 121 -1.661 -14.748 2.327 932 HB2 CYS 121 1HB CYS 121 -0.371 -14.177 -0.363 933 HB3 CYS 121 2HB CYS 121 -2.092 -13.976 -0.001 934 HG CYS 121 HG CYS 121 -1.550 -12.442 2.271 935 H ALA 122 H ALA 122 -0.019 -17.322 1.772 936 HA ALA 122 HA ALA 122 -2.301 -18.913 0.690 937 HB1 ALA 122 1HB ALA 122 -0.176 -19.369 -0.466 938 HB2 ALA 122 2HB ALA 122 0.623 -19.696 1.087 939 HB3 ALA 122 3HB ALA 122 -0.647 -20.773 0.505 940 H GLN 123 H GLN 123 -0.613 -18.022 3.644 941 HA GLN 123 HA GLN 123 -2.000 -20.173 5.131 942 HB2 GLN 123 1HB GLN 123 -0.356 -19.904 6.827 943 HB3 GLN 123 2HB GLN 123 0.475 -20.249 5.323 944 HG2 GLN 123 1HG GLN 123 1.408 -18.089 5.231 945 HG3 GLN 123 2HG GLN 123 0.177 -17.372 6.264 946 HE21 GLN 123 1HE2 GLN 123 2.989 -19.590 6.362 947 HE22 GLN 123 2HE2 GLN 123 3.323 -19.393 8.066 948 H GLU 124 H GLU 124 -1.989 -16.825 4.444 949 HA GLU 124 HA GLU 124 -2.561 -15.641 6.937 950 HB2 GLU 124 1HB GLU 124 -1.750 -14.519 4.812 951 HB3 GLU 124 2HB GLU 124 -3.389 -14.689 4.163 952 HG2 GLU 124 1HG GLU 124 -4.207 -13.375 6.151 953 HG3 GLU 124 2HG GLU 124 -2.540 -13.132 6.638 Start of MODEL 11 1 H1 MET 1 H MET 1 19.523 -2.253 -8.334 2 HA MET 1 HA MET 1 17.637 -0.933 -7.637 3 HB2 MET 1 1HB MET 1 18.898 -0.058 -10.269 4 HB3 MET 1 2HB MET 1 17.763 0.941 -9.378 5 HG2 MET 1 1HG MET 1 19.236 0.718 -7.341 6 HG3 MET 1 2HG MET 1 20.430 -0.082 -8.354 7 HE1 MET 1 3HE MET 1 22.034 1.082 -10.013 8 HE2 MET 1 1HE MET 1 20.603 1.396 -11.018 9 HE3 MET 1 2HE MET 1 21.750 2.705 -10.678 10 H LYS 2 H LYS 2 15.622 -0.218 -7.931 11 HA LYS 2 HA LYS 2 13.455 -0.230 -8.415 12 HB2 LYS 2 1HB LYS 2 13.915 -1.380 -11.164 13 HB3 LYS 2 2HB LYS 2 12.546 -0.472 -10.576 14 HG2 LYS 2 1HG LYS 2 14.341 1.408 -10.117 15 HG3 LYS 2 2HG LYS 2 15.293 0.551 -11.315 16 HD2 LYS 2 1HD LYS 2 13.641 0.948 -13.035 17 HD3 LYS 2 2HD LYS 2 12.437 1.500 -11.837 18 HE2 LYS 2 1HE LYS 2 13.980 3.371 -11.197 19 HE3 LYS 2 2HE LYS 2 15.091 2.873 -12.470 20 HZ1 LYS 2 3HZ LYS 2 13.462 3.445 -14.097 21 HZ2 LYS 2 1HZ LYS 2 12.299 3.763 -12.985 22 HZ3 LYS 2 2HZ LYS 2 13.634 4.717 -13.090 23 H MET 3 H MET 3 11.814 -1.600 -7.718 24 HA MET 3 HA MET 3 11.702 -4.373 -8.286 25 HB2 MET 3 1HB MET 3 12.137 -5.117 -5.974 26 HB3 MET 3 2HB MET 3 13.577 -4.485 -6.784 27 HG2 MET 3 1HG MET 3 12.868 -2.274 -5.472 28 HG3 MET 3 2HG MET 3 12.104 -3.461 -4.416 29 HE1 MET 3 3HE MET 3 15.135 -1.467 -5.199 30 HE2 MET 3 1HE MET 3 16.531 -2.554 -5.094 31 HE3 MET 3 2HE MET 3 15.378 -2.714 -6.450 32 H LYS 4 H LYS 4 9.915 -5.306 -6.455 33 HA LYS 4 HA LYS 4 8.060 -3.191 -5.688 34 HB2 LYS 4 1HB LYS 4 6.256 -3.962 -7.197 35 HB3 LYS 4 2HB LYS 4 7.587 -3.169 -7.947 36 HG2 LYS 4 1HG LYS 4 7.374 -4.683 -9.492 37 HG3 LYS 4 2HG LYS 4 8.367 -5.712 -8.466 38 HD2 LYS 4 1HD LYS 4 6.358 -6.877 -7.668 39 HD3 LYS 4 2HD LYS 4 5.309 -5.703 -8.503 40 HE2 LYS 4 1HE LYS 4 6.267 -6.429 -10.684 41 HE3 LYS 4 2HE LYS 4 7.270 -7.617 -9.823 42 HZ1 LYS 4 3HZ LYS 4 5.242 -8.653 -9.039 43 HZ2 LYS 4 1HZ LYS 4 4.315 -7.606 -9.949 44 HZ3 LYS 4 2HZ LYS 4 5.348 -8.701 -10.641 45 H LYS 5 H LYS 5 8.997 -4.418 -3.706 46 HA LYS 5 HA LYS 5 8.053 -7.097 -3.265 47 HB2 LYS 5 1HB LYS 5 9.081 -5.015 -1.259 48 HB3 LYS 5 2HB LYS 5 8.632 -6.644 -0.867 49 HG2 LYS 5 1HG LYS 5 10.851 -6.852 -1.061 50 HG3 LYS 5 2HG LYS 5 10.257 -7.512 -2.524 51 HD2 LYS 5 1HD LYS 5 10.979 -5.528 -3.790 52 HD3 LYS 5 2HD LYS 5 11.285 -4.654 -2.279 53 HE2 LYS 5 1HE LYS 5 13.427 -5.414 -3.122 54 HE3 LYS 5 2HE LYS 5 13.026 -6.326 -1.668 55 HZ1 LYS 5 3HZ LYS 5 12.366 -8.163 -3.032 56 HZ2 LYS 5 1HZ LYS 5 12.738 -7.353 -4.435 57 HZ3 LYS 5 2HZ LYS 5 13.901 -7.722 -3.320 58 H TYR 6 H TYR 6 6.855 -7.487 -0.944 59 HA TYR 6 HA TYR 6 4.219 -6.113 -1.012 60 HB2 TYR 6 1HB TYR 6 4.822 -9.087 -0.950 61 HB3 TYR 6 2HB TYR 6 3.218 -8.378 -0.825 62 HD1 TYR 6 2HD TYR 6 6.133 -8.930 -3.071 63 HD2 TYR 6 1HD TYR 6 2.006 -7.704 -2.833 64 HE1 TYR 6 2HE TYR 6 6.022 -8.793 -5.557 65 HE2 TYR 6 1HE TYR 6 1.852 -7.731 -5.314 66 HH TYR 6 HH TYR 6 2.967 -8.305 -7.299 67 H THR 7 H THR 7 3.027 -6.283 1.138 68 HA THR 7 HA THR 7 4.924 -6.583 3.344 69 HB THR 7 HB THR 7 3.238 -5.321 4.591 70 HG1 THR 7 1HG THR 7 1.419 -4.528 3.571 71 HG21 THR 7 3HG2 THR 7 3.766 -3.953 1.931 72 HG22 THR 7 1HG2 THR 7 3.332 -3.177 3.470 73 HG23 THR 7 2HG2 THR 7 4.884 -4.018 3.316 74 H LYS 8 H LYS 8 3.779 -7.247 5.252 75 HA LYS 8 HA LYS 8 2.615 -9.963 5.047 76 HB2 LYS 8 1HB LYS 8 2.985 -8.267 7.560 77 HB3 LYS 8 2HB LYS 8 2.694 -9.970 7.461 78 HG2 LYS 8 1HG LYS 8 4.924 -10.380 6.563 79 HG3 LYS 8 2HG LYS 8 5.223 -8.653 6.336 80 HD2 LYS 8 1HD LYS 8 6.376 -9.494 8.298 81 HD3 LYS 8 2HD LYS 8 5.177 -8.267 8.754 82 HE2 LYS 8 1HE LYS 8 3.619 -9.929 9.525 83 HE3 LYS 8 2HE LYS 8 4.506 -11.203 8.678 84 HZ1 LYS 8 3HZ LYS 8 5.058 -11.427 10.913 85 HZ2 LYS 8 1HZ LYS 8 6.354 -10.701 10.250 86 HZ3 LYS 8 2HZ LYS 8 5.320 -9.802 11.160 87 H THR 9 H THR 9 1.640 -6.582 5.760 88 HA THR 9 HA THR 9 -1.082 -7.233 6.429 89 HB THR 9 HB THR 9 -0.960 -4.634 6.671 90 HG1 THR 9 1HG THR 9 0.878 -4.050 5.594 91 HG21 THR 9 3HG2 THR 9 0.346 -4.839 8.782 92 HG22 THR 9 1HG2 THR 9 -0.826 -6.155 8.598 93 HG23 THR 9 2HG2 THR 9 0.901 -6.444 8.291 94 H HIS 10 H HIS 10 -0.587 -8.153 3.832 95 HA HIS 10 HA HIS 10 -1.334 -8.077 1.723 96 HB2 HIS 10 1HB HIS 10 -3.763 -7.763 1.614 97 HB3 HIS 10 2HB HIS 10 -3.258 -8.740 2.991 98 HD1 HIS 10 1HD HIS 10 -3.987 -5.032 2.308 99 HD2 HIS 10 2HD HIS 10 -4.406 -8.000 5.254 100 HE1 HIS 10 1HE HIS 10 -5.379 -3.981 4.229 101 HE2 HIS 10 2HE HIS 10 -5.610 -5.806 6.027 102 H GLU 11 H GLU 11 0.377 -5.937 1.832 103 HA GLU 11 HA GLU 11 -0.931 -4.131 -0.110 104 HB2 GLU 11 1HB GLU 11 1.440 -3.410 1.621 105 HB3 GLU 11 2HB GLU 11 0.657 -2.385 0.467 106 HG2 GLU 11 1HG GLU 11 -0.948 -1.716 1.862 107 HG3 GLU 11 2HG GLU 11 -1.227 -3.310 2.554 108 H TRP 12 H TRP 12 0.452 -3.362 -1.723 109 HA TRP 12 HA TRP 12 2.804 -5.055 -2.378 110 HB2 TRP 12 1HB TRP 12 2.357 -4.360 -4.713 111 HB3 TRP 12 2HB TRP 12 1.098 -5.386 -4.065 112 HD1 TRP 12 HD TRP 12 -1.300 -4.310 -3.729 113 HE1 TRP 12 1HE TRP 12 -2.454 -2.298 -4.813 114 HE3 TRP 12 3HE TRP 12 2.850 -1.768 -5.349 115 HZ2 TRP 12 2HZ TRP 12 -1.703 -0.027 -6.351 116 HZ3 TRP 12 3HZ TRP 12 2.563 0.358 -6.591 117 HH2 TRP 12 HH TRP 12 0.325 1.189 -7.181 118 H VAL 13 H VAL 13 4.505 -3.759 -3.382 119 HA VAL 13 HA VAL 13 4.430 -0.869 -2.842 120 HB VAL 13 HB VAL 13 6.909 -2.519 -2.317 121 HG11 VAL 13 1HG1 VAL 13 7.312 -0.679 -0.654 122 HG12 VAL 13 2HG1 VAL 13 7.303 -0.268 -2.356 123 HG13 VAL 13 3HG1 VAL 13 5.889 0.147 -1.344 124 HG21 VAL 13 3HG2 VAL 13 5.252 -3.618 -0.808 125 HG22 VAL 13 1HG2 VAL 13 6.378 -2.643 0.109 126 HG23 VAL 13 2HG2 VAL 13 4.732 -2.028 -0.224 127 H SER 14 H SER 14 5.765 0.256 -4.370 128 HA SER 14 HA SER 14 6.768 -1.225 -6.793 129 HB2 SER 14 1HB SER 14 4.643 0.790 -6.357 130 HB3 SER 14 2HB SER 14 5.684 1.077 -7.743 131 HG SER 14 HG SER 14 3.886 -0.186 -8.273 132 H ILE 15 H ILE 15 8.954 -0.848 -6.089 133 HA ILE 15 HA ILE 15 9.851 1.880 -5.463 134 HB ILE 15 HB ILE 15 10.894 -0.969 -5.161 135 HG12 ILE 15 1HG1 ILE 15 11.546 0.964 -3.079 136 HG13 ILE 15 2HG1 ILE 15 9.868 1.132 -3.483 137 HG21 ILE 15 1HG2 ILE 15 12.785 0.223 -6.278 138 HG22 ILE 15 2HG2 ILE 15 12.683 1.451 -5.012 139 HG23 ILE 15 3HG2 ILE 15 13.088 -0.216 -4.605 140 HD11 ILE 15 3HD1 ILE 15 10.995 -1.582 -2.900 141 HD12 ILE 15 1HD1 ILE 15 10.580 -0.448 -1.601 142 HD13 ILE 15 2HD1 ILE 15 9.333 -1.010 -2.790 143 H GLU 16 H GLU 16 10.412 3.203 -7.051 144 HA GLU 16 HA GLU 16 11.576 1.996 -9.510 145 HB2 GLU 16 1HB GLU 16 10.682 4.015 -10.725 146 HB3 GLU 16 2HB GLU 16 9.638 2.649 -10.366 147 HG2 GLU 16 1HG GLU 16 8.606 3.847 -8.478 148 HG3 GLU 16 2HG GLU 16 9.640 5.250 -8.785 149 H ASP 17 H ASP 17 11.751 5.550 -9.067 150 HA ASP 17 HA ASP 17 14.594 5.192 -9.167 151 HB2 ASP 17 1HB ASP 17 13.043 7.256 -9.833 152 HB3 ASP 17 2HB ASP 17 13.550 7.866 -8.294 153 H LYS 18 H LYS 18 12.637 6.698 -6.721 154 HA LYS 18 HA LYS 18 14.150 5.726 -4.381 155 HB2 LYS 18 1HB LYS 18 14.019 8.716 -5.008 156 HB3 LYS 18 2HB LYS 18 14.630 8.003 -3.514 157 HG2 LYS 18 1HG LYS 18 16.467 6.903 -4.715 158 HG3 LYS 18 2HG LYS 18 15.845 7.546 -6.247 159 HD2 LYS 18 1HD LYS 18 16.280 9.823 -5.572 160 HD3 LYS 18 2HD LYS 18 16.855 9.290 -3.996 161 HE2 LYS 18 1HE LYS 18 18.656 9.831 -5.703 162 HE3 LYS 18 2HE LYS 18 18.797 8.252 -4.923 163 HZ1 LYS 18 3HZ LYS 18 18.071 7.167 -6.835 164 HZ2 LYS 18 1HZ LYS 18 17.519 8.511 -7.585 165 HZ3 LYS 18 2HZ LYS 18 19.145 8.240 -7.372 166 H VAL 19 H VAL 19 11.302 6.043 -5.762 167 HA VAL 19 HA VAL 19 9.890 6.784 -3.285 168 HB VAL 19 HB VAL 19 9.266 7.756 -6.095 169 HG11 VAL 19 1HG1 VAL 19 7.218 8.797 -5.139 170 HG12 VAL 19 2HG1 VAL 19 7.153 7.034 -5.068 171 HG13 VAL 19 3HG1 VAL 19 7.513 7.958 -3.598 172 HG21 VAL 19 3HG2 VAL 19 9.645 9.264 -3.450 173 HG22 VAL 19 1HG2 VAL 19 10.866 9.158 -4.719 174 HG23 VAL 19 2HG2 VAL 19 9.345 10.003 -5.035 175 H ALA 20 H ALA 20 8.539 5.192 -2.730 176 HA ALA 20 HA ALA 20 7.898 3.059 -4.690 177 HB1 ALA 20 1HB ALA 20 8.766 2.456 -2.311 178 HB2 ALA 20 2HB ALA 20 7.170 2.974 -1.758 179 HB3 ALA 20 3HB ALA 20 7.321 1.666 -2.950 180 H THR 21 H THR 21 5.865 2.733 -5.320 181 HA THR 21 HA THR 21 3.673 4.481 -4.254 182 HB THR 21 HB THR 21 3.516 2.405 -6.475 183 HG1 THR 21 1HG THR 21 4.989 4.295 -6.795 184 HG21 THR 21 3HG2 THR 21 1.324 2.959 -5.576 185 HG22 THR 21 1HG2 THR 21 1.650 4.693 -5.747 186 HG23 THR 21 2HG2 THR 21 1.521 3.660 -7.182 187 H VAL 22 H VAL 22 1.909 3.483 -3.119 188 HA VAL 22 HA VAL 22 2.225 0.627 -2.383 189 HB VAL 22 HB VAL 22 1.375 2.785 -0.428 190 HG11 VAL 22 1HG1 VAL 22 2.620 0.023 0.013 191 HG12 VAL 22 2HG1 VAL 22 1.935 1.117 1.252 192 HG13 VAL 22 3HG1 VAL 22 0.883 0.368 0.074 193 HG21 VAL 22 3HG2 VAL 22 4.244 1.886 -0.830 194 HG22 VAL 22 1HG2 VAL 22 3.590 3.541 -0.941 195 HG23 VAL 22 2HG2 VAL 22 3.631 2.727 0.617 196 H GLY 23 H GLY 23 0.254 -0.492 -2.187 197 HA2 GLY 23 1HA GLY 23 -2.170 0.824 -1.579 198 HA3 GLY 23 2HA GLY 23 -2.250 0.202 -3.198 199 H ILE 24 H ILE 24 -3.954 -0.975 -1.407 200 HA ILE 24 HA ILE 24 -2.688 -3.344 -0.254 201 HB ILE 24 HB ILE 24 -4.876 -4.084 0.396 202 HG12 ILE 24 1HG1 ILE 24 -6.001 -1.430 -0.534 203 HG13 ILE 24 2HG1 ILE 24 -6.160 -2.908 -1.485 204 HG21 ILE 24 1HG2 ILE 24 -4.243 -1.223 1.192 205 HG22 ILE 24 2HG2 ILE 24 -5.155 -2.393 2.149 206 HG23 ILE 24 3HG2 ILE 24 -3.439 -2.666 1.825 207 HD11 ILE 24 3HD1 ILE 24 -7.751 -3.811 -0.107 208 HD12 ILE 24 1HD1 ILE 24 -7.121 -3.036 1.363 209 HD13 ILE 24 2HD1 ILE 24 -8.069 -2.116 0.190 210 H THR 25 H THR 25 -3.090 -5.596 -0.934 211 HA THR 25 HA THR 25 -3.020 -5.794 -3.840 212 HB THR 25 HB THR 25 -2.685 -8.244 -3.242 213 HG1 THR 25 1HG THR 25 -2.367 -8.763 -1.181 214 HG21 THR 25 3HG2 THR 25 -0.807 -6.208 -1.995 215 HG22 THR 25 1HG2 THR 25 -0.400 -7.890 -2.370 216 HG23 THR 25 2HG2 THR 25 -0.794 -6.768 -3.680 217 H ASN 26 H ASN 26 -4.207 -7.549 -4.977 218 HA ASN 26 HA ASN 26 -6.974 -7.318 -4.851 219 HB2 ASN 26 1HB ASN 26 -5.111 -8.516 -6.501 220 HB3 ASN 26 2HB ASN 26 -6.046 -9.918 -5.941 221 HD21 ASN 26 1HD2 ASN 26 -8.774 -8.956 -5.935 222 HD22 ASN 26 2HD2 ASN 26 -9.060 -8.235 -7.524 223 H HIS 27 H HIS 27 -5.006 -9.471 -2.830 224 HA HIS 27 HA HIS 27 -7.232 -11.115 -1.927 225 HB2 HIS 27 1HB HIS 27 -4.714 -11.499 -1.528 226 HB3 HIS 27 2HB HIS 27 -4.791 -10.252 -0.291 227 HD1 HIS 27 1HD HIS 27 -6.444 -13.707 -1.088 228 HD2 HIS 27 2HD HIS 27 -5.702 -11.040 2.138 229 HE1 HIS 27 1HE HIS 27 -7.022 -14.939 1.052 230 HE2 HIS 27 2HE HIS 27 -6.604 -13.394 2.980 231 H ALA 28 H ALA 28 -6.225 -7.789 -1.134 232 HA ALA 28 HA ALA 28 -7.646 -7.811 1.415 233 HB1 ALA 28 1HB ALA 28 -6.888 -5.505 1.489 234 HB2 ALA 28 2HB ALA 28 -5.548 -6.553 0.943 235 HB3 ALA 28 3HB ALA 28 -6.437 -5.584 -0.242 236 H GLN 29 H GLN 29 -8.185 -6.301 -1.866 237 HA GLN 29 HA GLN 29 -10.603 -5.004 -1.201 238 HB2 GLN 29 1HB GLN 29 -11.146 -5.006 -3.554 239 HB3 GLN 29 2HB GLN 29 -9.461 -4.650 -3.292 240 HG2 GLN 29 1HG GLN 29 -9.480 -5.938 -5.202 241 HG3 GLN 29 2HG GLN 29 -8.846 -6.953 -3.914 242 HE21 GLN 29 1HE2 GLN 29 -9.816 -9.014 -3.686 243 HE22 GLN 29 2HE2 GLN 29 -11.351 -9.384 -4.439 244 H GLU 30 H GLU 30 -9.950 -8.395 -1.501 245 HA GLU 30 HA GLU 30 -12.488 -9.303 -2.236 246 HB2 GLU 30 1HB GLU 30 -11.368 -11.211 -2.311 247 HB3 GLU 30 2HB GLU 30 -9.938 -10.334 -1.860 248 HG2 GLU 30 1HG GLU 30 -10.489 -10.830 0.495 249 HG3 GLU 30 2HG GLU 30 -11.835 -11.834 -0.074 250 H GLN 31 H GLN 31 -10.999 -8.906 0.852 251 HA GLN 31 HA GLN 31 -13.362 -9.587 2.412 252 HB2 GLN 31 1HB GLN 31 -10.729 -8.278 3.259 253 HB3 GLN 31 2HB GLN 31 -11.935 -8.835 4.388 254 HG2 GLN 31 1HG GLN 31 -10.269 -10.617 2.566 255 HG3 GLN 31 2HG GLN 31 -10.013 -10.299 4.238 256 HE21 GLN 31 1HE2 GLN 31 -13.469 -10.896 3.302 257 HE22 GLN 31 2HE2 GLN 31 -13.411 -12.491 4.021 258 H LEU 32 H LEU 32 -12.021 -6.563 1.245 259 HA LEU 32 HA LEU 32 -13.654 -4.889 3.008 260 HB2 LEU 32 1HB LEU 32 -11.919 -4.440 0.571 261 HB3 LEU 32 2HB LEU 32 -12.985 -3.184 1.143 262 HG LEU 32 HG LEU 32 -10.445 -3.302 1.866 263 HD11 LEU 32 1HD1 LEU 32 -11.977 -1.522 2.475 264 HD12 LEU 32 2HD1 LEU 32 -12.665 -2.504 3.794 265 HD13 LEU 32 3HD1 LEU 32 -10.986 -1.962 3.868 266 HD21 LEU 32 3HD2 LEU 32 -10.517 -5.520 2.953 267 HD22 LEU 32 1HD2 LEU 32 -10.061 -4.240 4.052 268 HD23 LEU 32 2HD2 LEU 32 -11.690 -4.899 4.144 269 H GLY 33 H GLY 33 -13.785 -5.996 -0.412 270 HA2 GLY 33 1HA GLY 33 -15.452 -6.092 -1.909 271 HA3 GLY 33 2HA GLY 33 -16.636 -5.818 -0.616 272 H ASP 34 H ASP 34 -17.743 -4.443 -1.908 273 HA ASP 34 HA ASP 34 -17.188 -2.093 -3.199 274 HB2 ASP 34 1HB ASP 34 -19.505 -2.629 -1.292 275 HB3 ASP 34 2HB ASP 34 -19.448 -1.369 -2.524 276 H VAL 35 H VAL 35 -16.062 -0.318 -2.543 277 HA VAL 35 HA VAL 35 -16.060 0.365 0.341 278 HB VAL 35 HB VAL 35 -14.014 -0.575 -0.427 279 HG11 VAL 35 1HG1 VAL 35 -13.596 1.693 -2.046 280 HG12 VAL 35 2HG1 VAL 35 -12.234 0.872 -1.241 281 HG13 VAL 35 3HG1 VAL 35 -13.266 -0.067 -2.308 282 HG21 VAL 35 3HG2 VAL 35 -12.902 1.894 0.581 283 HG22 VAL 35 1HG2 VAL 35 -14.425 1.574 1.367 284 HG23 VAL 35 2HG2 VAL 35 -13.176 0.346 1.410 285 H VAL 36 H VAL 36 -15.299 2.675 0.564 286 HA VAL 36 HA VAL 36 -17.107 4.480 -0.896 287 HB VAL 36 HB VAL 36 -18.020 4.596 1.657 288 HG11 VAL 36 1HG1 VAL 36 -19.957 3.045 0.809 289 HG12 VAL 36 2HG1 VAL 36 -19.547 4.445 -0.221 290 HG13 VAL 36 3HG1 VAL 36 -19.003 2.815 -0.625 291 HG21 VAL 36 3HG2 VAL 36 -17.780 1.596 1.339 292 HG22 VAL 36 1HG2 VAL 36 -16.733 2.583 2.383 293 HG23 VAL 36 2HG2 VAL 36 -18.468 2.517 2.688 294 H TYR 37 H TYR 37 -14.603 3.729 1.468 295 HA TYR 37 HA TYR 37 -13.809 6.582 1.291 296 HB2 TYR 37 1HB TYR 37 -15.176 6.477 3.341 297 HB3 TYR 37 2HB TYR 37 -14.230 5.122 3.925 298 HD1 TYR 37 1HD TYR 37 -13.512 8.573 2.501 299 HD2 TYR 37 2HD TYR 37 -12.606 5.639 5.554 300 HE1 TYR 37 1HE TYR 37 -11.854 10.083 3.463 301 HE2 TYR 37 2HE TYR 37 -11.007 7.192 6.571 302 HH TYR 37 HH TYR 37 -10.518 10.511 5.312 303 H VAL 38 H VAL 38 -11.614 6.929 1.399 304 HA VAL 38 HA VAL 38 -9.991 5.017 2.762 305 HB VAL 38 HB VAL 38 -8.465 4.421 1.205 306 HG11 VAL 38 1HG1 VAL 38 -10.638 4.989 -0.849 307 HG12 VAL 38 2HG1 VAL 38 -9.340 3.780 -0.935 308 HG13 VAL 38 3HG1 VAL 38 -10.628 3.584 0.235 309 HG21 VAL 38 3HG2 VAL 38 -7.622 6.595 0.654 310 HG22 VAL 38 1HG2 VAL 38 -7.823 5.692 -0.835 311 HG23 VAL 38 2HG2 VAL 38 -9.014 6.943 -0.396 312 H ASP 39 H ASP 39 -8.636 5.868 3.981 313 HA ASP 39 HA ASP 39 -8.559 8.735 4.223 314 HB2 ASP 39 1HB ASP 39 -8.597 7.751 6.355 315 HB3 ASP 39 2HB ASP 39 -7.732 6.339 5.830 316 H LEU 40 H LEU 40 -6.701 9.984 3.751 317 HA LEU 40 HA LEU 40 -4.478 8.597 2.421 318 HB2 LEU 40 1HB LEU 40 -5.896 11.020 1.294 319 HB3 LEU 40 2HB LEU 40 -4.378 10.394 0.712 320 HG LEU 40 HG LEU 40 -6.991 8.811 0.664 321 HD11 LEU 40 1HD1 LEU 40 -7.125 10.737 -0.804 322 HD12 LEU 40 2HD1 LEU 40 -5.569 10.324 -1.565 323 HD13 LEU 40 3HD1 LEU 40 -6.989 9.254 -1.746 324 HD21 LEU 40 3HD2 LEU 40 -4.218 8.312 -0.505 325 HD22 LEU 40 1HD2 LEU 40 -5.078 7.309 0.683 326 HD23 LEU 40 2HD2 LEU 40 -5.670 7.393 -0.980 327 HA PRO 41 HA PRO 41 -2.586 11.323 5.335 328 HB2 PRO 41 1HB PRO 41 0.039 10.791 4.774 329 HB3 PRO 41 2HB PRO 41 -1.084 9.673 5.607 330 HG2 PRO 41 1HG PRO 41 -0.188 9.618 2.717 331 HG3 PRO 41 2HG PRO 41 -0.462 8.251 3.857 332 HD2 PRO 41 1HD PRO 41 -2.308 9.147 1.943 333 HD3 PRO 41 2HD PRO 41 -2.679 8.206 3.418 334 H GLU 42 H GLU 42 -0.630 12.983 5.357 335 HA GLU 42 HA GLU 42 -1.128 14.903 3.231 336 HB2 GLU 42 1HB GLU 42 -0.295 14.978 5.988 337 HB3 GLU 42 2HB GLU 42 1.053 15.585 5.044 338 HG2 GLU 42 1HG GLU 42 -0.185 17.476 5.382 339 HG3 GLU 42 2HG GLU 42 -0.661 17.017 3.759 340 H VAL 43 H VAL 43 0.661 15.963 2.060 341 HA VAL 43 HA VAL 43 2.157 13.796 0.828 342 HB VAL 43 HB VAL 43 0.555 15.706 -0.152 343 HG11 VAL 43 1HG1 VAL 43 3.216 16.928 -0.896 344 HG12 VAL 43 2HG1 VAL 43 1.581 17.594 -1.084 345 HG13 VAL 43 3HG1 VAL 43 2.340 17.479 0.537 346 HG21 VAL 43 3HG2 VAL 43 1.347 15.265 -2.361 347 HG22 VAL 43 1HG2 VAL 43 2.938 14.788 -1.746 348 HG23 VAL 43 2HG2 VAL 43 1.515 13.779 -1.406 349 H GLY 44 H GLY 44 3.134 15.009 3.271 350 HA2 GLY 44 1HA GLY 44 5.997 15.110 2.636 351 HA3 GLY 44 2HA GLY 44 5.348 16.628 3.278 352 H ARG 45 H ARG 45 4.235 13.365 4.203 353 HA ARG 45 HA ARG 45 4.927 14.061 7.034 354 HB2 ARG 45 1HB ARG 45 2.517 13.739 6.295 355 HB3 ARG 45 2HB ARG 45 2.918 12.062 5.957 356 HG2 ARG 45 1HG ARG 45 3.803 12.350 8.605 357 HG3 ARG 45 2HG ARG 45 2.419 13.451 8.543 358 HD2 ARG 45 1HD ARG 45 1.130 11.539 7.431 359 HD3 ARG 45 2HD ARG 45 2.504 10.505 7.824 360 HE ARG 45 HE ARG 45 0.465 11.651 9.564 361 HH11 ARG 45 2HH2 ARG 45 3.574 9.846 9.646 362 HH12 ARG 45 1HH2 ARG 45 3.276 9.273 11.244 363 HH21 ARG 45 2HH1 ARG 45 0.175 10.884 11.633 364 HH22 ARG 45 1HH1 ARG 45 1.202 9.611 12.247 365 H GLU 46 H GLU 46 6.289 12.661 8.290 366 HA GLU 46 HA GLU 46 7.686 10.495 6.944 367 HB2 GLU 46 1HB GLU 46 7.500 11.527 9.810 368 HB3 GLU 46 2HB GLU 46 8.313 10.020 9.408 369 HG2 GLU 46 1HG GLU 46 9.682 11.348 7.698 370 HG3 GLU 46 2HG GLU 46 9.069 12.802 8.485 371 H VAL 47 H VAL 47 7.425 8.249 7.271 372 HA VAL 47 HA VAL 47 5.380 7.308 9.149 373 HB VAL 47 HB VAL 47 4.591 5.682 7.445 374 HG11 VAL 47 1HG1 VAL 47 4.173 8.539 6.482 375 HG12 VAL 47 2HG1 VAL 47 3.090 7.149 6.351 376 HG13 VAL 47 3HG1 VAL 47 3.420 7.877 7.931 377 HG21 VAL 47 3HG2 VAL 47 4.951 6.134 5.040 378 HG22 VAL 47 1HG2 VAL 47 6.130 7.387 5.424 379 HG23 VAL 47 2HG2 VAL 47 6.474 5.692 5.843 380 H LYS 48 H LYS 48 5.651 4.988 9.569 381 HA LYS 48 HA LYS 48 8.412 3.938 9.271 382 HB2 LYS 48 1HB LYS 48 6.305 3.941 11.438 383 HB3 LYS 48 2HB LYS 48 7.371 2.537 11.347 384 HG2 LYS 48 1HG LYS 48 8.470 5.356 11.413 385 HG3 LYS 48 2HG LYS 48 8.189 4.404 12.872 386 HD2 LYS 48 1HD LYS 48 9.727 2.935 10.775 387 HD3 LYS 48 2HD LYS 48 10.533 4.388 11.367 388 HE2 LYS 48 1HE LYS 48 10.254 3.584 13.692 389 HE3 LYS 48 2HE LYS 48 9.436 2.131 13.099 390 HZ1 LYS 48 3HZ LYS 48 11.746 1.724 13.569 391 HZ2 LYS 48 1HZ LYS 48 11.470 1.488 11.982 392 HZ3 LYS 48 2HZ LYS 48 12.257 2.854 12.530 393 H LYS 49 H LYS 49 8.486 1.526 9.379 394 HA LYS 49 HA LYS 49 7.061 0.428 7.243 395 HB2 LYS 49 1HB LYS 49 8.520 -1.346 7.388 396 HB3 LYS 49 2HB LYS 49 9.376 -0.053 8.186 397 HG2 LYS 49 1HG LYS 49 9.881 -1.852 9.501 398 HG3 LYS 49 2HG LYS 49 8.576 -1.111 10.429 399 HD2 LYS 49 1HD LYS 49 7.108 -2.901 9.975 400 HD3 LYS 49 2HD LYS 49 7.875 -3.257 8.422 401 HE2 LYS 49 1HE LYS 49 8.306 -5.073 9.835 402 HE3 LYS 49 2HE LYS 49 9.827 -4.209 9.614 403 HZ1 LYS 49 3HZ LYS 49 8.076 -3.925 11.992 404 HZ2 LYS 49 1HZ LYS 49 9.400 -4.903 11.901 405 HZ3 LYS 49 2HZ LYS 49 9.576 -3.283 11.817 406 H GLY 50 H GLY 50 5.419 1.005 9.837 407 HA2 GLY 50 1HA GLY 50 3.450 -0.831 8.928 408 HA3 GLY 50 2HA GLY 50 3.918 -1.280 10.568 409 H GLU 51 H GLU 51 3.228 1.707 8.691 410 HA GLU 51 HA GLU 51 1.935 2.940 11.068 411 HB2 GLU 51 1HB GLU 51 4.020 3.832 9.649 412 HB3 GLU 51 2HB GLU 51 2.783 4.385 8.542 413 HG2 GLU 51 1HG GLU 51 2.988 6.221 9.816 414 HG3 GLU 51 2HG GLU 51 1.756 5.403 10.822 415 H VAL 52 H VAL 52 -0.318 2.865 10.984 416 HA VAL 52 HA VAL 52 -1.744 2.045 8.686 417 HB VAL 52 HB VAL 52 -2.615 1.056 10.369 418 HG11 VAL 52 1HG1 VAL 52 -1.230 1.745 12.122 419 HG12 VAL 52 2HG1 VAL 52 -2.052 3.338 12.242 420 HG13 VAL 52 3HG1 VAL 52 -2.880 1.831 12.690 421 HG21 VAL 52 3HG2 VAL 52 -4.618 2.381 9.635 422 HG22 VAL 52 1HG2 VAL 52 -4.705 1.884 11.337 423 HG23 VAL 52 2HG2 VAL 52 -4.280 3.548 10.929 424 H VAL 53 H VAL 53 -0.523 4.432 7.934 425 HA VAL 53 HA VAL 53 -2.211 6.717 8.436 426 HB VAL 53 HB VAL 53 -0.587 7.805 6.832 427 HG11 VAL 53 1HG1 VAL 53 0.657 6.136 9.011 428 HG12 VAL 53 2HG1 VAL 53 1.298 7.641 8.316 429 HG13 VAL 53 3HG1 VAL 53 -0.205 7.682 9.235 430 HG21 VAL 53 3HG2 VAL 53 -0.264 5.528 5.548 431 HG22 VAL 53 1HG2 VAL 53 1.109 6.596 5.727 432 HG23 VAL 53 2HG2 VAL 53 0.945 5.174 6.786 433 H ALA 54 H ALA 54 -3.372 4.385 6.654 434 HA ALA 54 HA ALA 54 -4.635 6.141 4.695 435 HB1 ALA 54 1HB ALA 54 -2.751 3.891 3.864 436 HB2 ALA 54 2HB ALA 54 -3.907 4.692 2.759 437 HB3 ALA 54 3HB ALA 54 -2.611 5.632 3.501 438 H SER 55 H SER 55 -5.947 5.143 6.696 439 HA SER 55 HA SER 55 -6.688 2.375 6.606 440 HB2 SER 55 1HB SER 55 -7.152 4.531 8.288 441 HB3 SER 55 2HB SER 55 -8.758 4.214 7.632 442 HG SER 55 HG SER 55 -8.320 3.068 9.517 443 H ILE 56 H ILE 56 -8.719 1.475 6.000 444 HA ILE 56 HA ILE 56 -10.144 2.864 3.753 445 HB ILE 56 HB ILE 56 -9.367 -0.063 3.707 446 HG12 ILE 56 1HG1 ILE 56 -7.915 2.169 2.357 447 HG13 ILE 56 2HG1 ILE 56 -7.274 1.110 3.628 448 HG21 ILE 56 1HG2 ILE 56 -11.412 0.794 2.444 449 HG22 ILE 56 2HG2 ILE 56 -10.311 1.749 1.459 450 HG23 ILE 56 3HG2 ILE 56 -10.221 -0.027 1.444 451 HD11 ILE 56 3HD1 ILE 56 -7.513 -0.839 2.194 452 HD12 ILE 56 1HD1 ILE 56 -8.053 0.201 0.837 453 HD13 ILE 56 2HD1 ILE 56 -6.427 0.372 1.483 454 H GLU 57 H GLU 57 -12.217 3.116 4.460 455 HA GLU 57 HA GLU 57 -13.402 0.967 6.135 456 HB2 GLU 57 1HB GLU 57 -13.903 3.946 6.122 457 HB3 GLU 57 2HB GLU 57 -15.181 2.816 6.574 458 HG2 GLU 57 1HG GLU 57 -13.633 1.728 8.201 459 HG3 GLU 57 2HG GLU 57 -12.412 2.955 7.850 460 H SER 58 H SER 58 -14.666 -0.324 5.011 461 HA SER 58 HA SER 58 -15.787 0.577 2.423 462 HB2 SER 58 1HB SER 58 -15.765 -1.668 1.699 463 HB3 SER 58 2HB SER 58 -14.190 -1.331 2.376 464 HG SER 58 HG SER 58 -15.503 -3.305 2.810 465 H VAL 59 H VAL 59 -17.780 -1.463 2.136 466 HA VAL 59 HA VAL 59 -19.993 -0.359 3.286 467 HB VAL 59 HB VAL 59 -20.968 -2.737 3.126 468 HG11 VAL 59 1HG1 VAL 59 -19.860 -1.236 0.734 469 HG12 VAL 59 2HG1 VAL 59 -21.059 -2.545 0.636 470 HG13 VAL 59 3HG1 VAL 59 -21.440 -1.059 1.516 471 HG21 VAL 59 3HG2 VAL 59 -18.365 -3.304 1.642 472 HG22 VAL 59 1HG2 VAL 59 -18.861 -4.021 3.191 473 HG23 VAL 59 2HG2 VAL 59 -19.796 -4.335 1.728 474 H LYS 60 H LYS 60 -17.894 -2.876 4.882 475 HA LYS 60 HA LYS 60 -18.453 -1.386 7.272 476 HB2 LYS 60 1HB LYS 60 -20.419 -3.250 6.922 477 HB3 LYS 60 2HB LYS 60 -19.237 -4.244 7.751 478 HG2 LYS 60 1HG LYS 60 -19.131 -2.097 9.403 479 HG3 LYS 60 2HG LYS 60 -20.716 -1.790 8.688 480 HD2 LYS 60 1HD LYS 60 -21.259 -3.075 10.535 481 HD3 LYS 60 2HD LYS 60 -21.157 -4.323 9.279 482 HE2 LYS 60 1HE LYS 60 -18.744 -4.692 9.975 483 HE3 LYS 60 2HE LYS 60 -19.022 -3.578 11.315 484 HZ1 LYS 60 3HZ LYS 60 -20.909 -5.108 11.917 485 HZ2 LYS 60 1HZ LYS 60 -20.290 -6.198 10.863 486 HZ3 LYS 60 2HZ LYS 60 -19.375 -5.735 12.148 487 H ALA 61 H ALA 61 -16.020 -2.634 5.716 488 HA ALA 61 HA ALA 61 -14.747 -3.917 8.104 489 HB1 ALA 61 1HB ALA 61 -12.960 -4.604 6.559 490 HB2 ALA 61 2HB ALA 61 -14.515 -5.322 6.100 491 HB3 ALA 61 3HB ALA 61 -13.858 -3.923 5.196 492 H ALA 62 H ALA 62 -12.640 -3.030 8.645 493 HA ALA 62 HA ALA 62 -12.000 -0.350 7.549 494 HB1 ALA 62 1HB ALA 62 -11.411 0.373 9.820 495 HB2 ALA 62 2HB ALA 62 -13.145 0.023 9.658 496 HB3 ALA 62 3HB ALA 62 -12.087 -1.139 10.475 497 H ALA 63 H ALA 63 -10.250 -1.031 6.349 498 HA ALA 63 HA ALA 63 -8.234 -2.862 7.550 499 HB1 ALA 63 1HB ALA 63 -7.184 -2.680 5.235 500 HB2 ALA 63 2HB ALA 63 -8.633 -3.664 5.448 501 HB3 ALA 63 3HB ALA 63 -8.744 -2.035 4.699 502 H ASP 64 H ASP 64 -7.033 -1.803 8.880 503 HA ASP 64 HA ASP 64 -5.792 0.738 8.569 504 HB2 ASP 64 1HB ASP 64 -4.342 -1.612 9.792 505 HB3 ASP 64 2HB ASP 64 -4.466 -0.030 10.394 506 H VAL 65 H VAL 65 -4.410 1.295 6.803 507 HA VAL 65 HA VAL 65 -3.136 -0.957 5.390 508 HB VAL 65 HB VAL 65 -3.375 1.924 4.668 509 HG11 VAL 65 1HG1 VAL 65 -1.273 1.054 3.730 510 HG12 VAL 65 2HG1 VAL 65 -2.039 -0.499 3.363 511 HG13 VAL 65 3HG1 VAL 65 -2.453 0.912 2.418 512 HG21 VAL 65 3HG2 VAL 65 -4.859 1.069 2.915 513 HG22 VAL 65 1HG2 VAL 65 -4.619 -0.609 3.499 514 HG23 VAL 65 2HG2 VAL 65 -5.446 0.574 4.509 515 H TYR 66 H TYR 66 -1.132 -1.529 6.392 516 HA TYR 66 HA TYR 66 0.133 0.591 7.987 517 HB2 TYR 66 1HB TYR 66 0.730 -2.397 7.895 518 HB3 TYR 66 2HB TYR 66 1.402 -1.225 9.001 519 HD1 TYR 66 2HD TYR 66 0.075 -0.389 10.900 520 HD2 TYR 66 1HD TYR 66 -1.498 -3.212 8.085 521 HE1 TYR 66 2HE TYR 66 -1.572 -1.187 12.616 522 HE2 TYR 66 1HE TYR 66 -3.087 -4.063 9.742 523 HH TYR 66 HH TYR 66 -3.851 -3.904 11.885 524 H ALA 67 H ALA 67 1.297 1.734 6.791 525 HA ALA 67 HA ALA 67 2.513 1.599 4.499 526 HB1 ALA 67 1HB ALA 67 4.514 2.985 5.589 527 HB2 ALA 67 2HB ALA 67 2.842 3.648 5.660 528 HB3 ALA 67 3HB ALA 67 3.581 2.817 7.050 529 HA PRO 68 HA PRO 68 5.142 -1.866 4.427 530 HB2 PRO 68 1HB PRO 68 6.720 -1.392 2.177 531 HB3 PRO 68 2HB PRO 68 5.005 -1.848 2.112 532 HG2 PRO 68 1HG PRO 68 6.161 0.938 1.981 533 HG3 PRO 68 2HG PRO 68 4.941 0.183 0.902 534 HD2 PRO 68 1HD PRO 68 4.123 1.756 2.906 535 HD3 PRO 68 2HD PRO 68 3.287 0.197 2.633 536 H LEU 69 H LEU 69 6.730 1.266 4.502 537 HA LEU 69 HA LEU 69 9.261 0.142 5.575 538 HB2 LEU 69 1HB LEU 69 8.963 1.850 3.077 539 HB3 LEU 69 2HB LEU 69 10.491 1.605 3.886 540 HG LEU 69 HG LEU 69 8.966 -0.829 2.909 541 HD11 LEU 69 1HD1 LEU 69 10.641 1.004 1.206 542 HD12 LEU 69 2HD1 LEU 69 9.999 -0.578 0.730 543 HD13 LEU 69 3HD1 LEU 69 8.874 0.740 1.083 544 HD21 LEU 69 3HD2 LEU 69 10.986 -1.188 4.265 545 HD22 LEU 69 1HD2 LEU 69 11.254 -1.712 2.598 546 HD23 LEU 69 2HD2 LEU 69 11.934 -0.163 3.153 547 H SER 70 H SER 70 10.560 1.862 6.540 548 HA SER 70 HA SER 70 9.151 4.250 7.345 549 HB2 SER 70 1HB SER 70 12.149 4.063 7.320 550 HB3 SER 70 2HB SER 70 11.077 4.869 8.480 551 HG SER 70 HG SER 70 12.049 2.338 8.403 552 H GLY 71 H GLY 71 9.389 6.351 6.490 553 HA2 GLY 71 1HA GLY 71 11.070 7.239 4.444 554 HA3 GLY 71 2HA GLY 71 9.708 6.411 3.680 555 H LYS 72 H LYS 72 9.374 8.692 2.854 556 HA LYS 72 HA LYS 72 7.587 10.154 4.743 557 HB2 LYS 72 1HB LYS 72 10.018 11.160 3.998 558 HB3 LYS 72 2HB LYS 72 9.031 11.781 2.674 559 HG2 LYS 72 1HG LYS 72 7.388 12.633 4.396 560 HG3 LYS 72 2HG LYS 72 8.517 12.091 5.653 561 HD2 LYS 72 1HD LYS 72 10.222 13.703 4.549 562 HD3 LYS 72 2HD LYS 72 8.808 14.357 3.676 563 HE2 LYS 72 1HE LYS 72 7.690 14.362 6.080 564 HE3 LYS 72 2HE LYS 72 9.352 14.233 6.671 565 HZ1 LYS 72 3HZ LYS 72 8.220 16.431 5.048 566 HZ2 LYS 72 1HZ LYS 72 8.720 16.483 6.616 567 HZ3 LYS 72 2HZ LYS 72 9.833 16.255 5.432 568 H ILE 73 H ILE 73 5.616 10.652 3.872 569 HA ILE 73 HA ILE 73 4.884 9.589 1.262 570 HB ILE 73 HB ILE 73 3.410 11.616 2.951 571 HG12 ILE 73 1HG1 ILE 73 3.607 9.839 4.457 572 HG13 ILE 73 2HG1 ILE 73 2.020 9.680 3.727 573 HG21 ILE 73 1HG2 ILE 73 1.392 10.833 1.783 574 HG22 ILE 73 2HG2 ILE 73 2.552 11.408 0.619 575 HG23 ILE 73 3HG2 ILE 73 2.352 9.662 0.847 576 HD11 ILE 73 3HD1 ILE 73 3.038 7.924 2.172 577 HD12 ILE 73 1HD1 ILE 73 4.478 7.973 3.207 578 HD13 ILE 73 2HD1 ILE 73 2.918 7.476 3.884 579 H VAL 74 H VAL 74 4.749 10.702 -0.669 580 HA VAL 74 HA VAL 74 5.199 13.617 -0.733 581 HB VAL 74 HB VAL 74 6.969 13.318 -2.507 582 HG11 VAL 74 1HG1 VAL 74 7.858 12.005 0.083 583 HG12 VAL 74 2HG1 VAL 74 8.838 12.905 -1.078 584 HG13 VAL 74 3HG1 VAL 74 7.604 13.751 -0.132 585 HG21 VAL 74 3HG2 VAL 74 8.099 11.182 -2.822 586 HG22 VAL 74 1HG2 VAL 74 7.022 10.383 -1.671 587 HG23 VAL 74 2HG2 VAL 74 6.390 11.000 -3.217 588 H GLU 75 H GLU 75 3.388 10.930 -1.920 589 HA GLU 75 HA GLU 75 2.084 12.828 -3.692 590 HB2 GLU 75 1HB GLU 75 3.814 11.145 -4.952 591 HB3 GLU 75 2HB GLU 75 2.414 10.077 -4.801 592 HG2 GLU 75 1HG GLU 75 1.027 11.745 -5.997 593 HG3 GLU 75 2HG GLU 75 2.463 12.785 -6.149 594 H VAL 76 H VAL 76 -0.204 12.001 -4.096 595 HA VAL 76 HA VAL 76 -1.131 9.811 -2.366 596 HB VAL 76 HB VAL 76 -2.888 11.213 -1.407 597 HG11 VAL 76 1HG1 VAL 76 -0.141 12.400 -0.827 598 HG12 VAL 76 2HG1 VAL 76 -1.577 12.558 0.167 599 HG13 VAL 76 3HG1 VAL 76 -0.849 10.959 -0.067 600 HG21 VAL 76 3HG2 VAL 76 -1.509 13.541 -2.817 601 HG22 VAL 76 1HG2 VAL 76 -3.147 12.909 -3.119 602 HG23 VAL 76 2HG2 VAL 76 -2.780 13.692 -1.586 603 H ASN 77 H ASN 77 -3.323 9.116 -3.055 604 HA ASN 77 HA ASN 77 -3.761 9.764 -5.913 605 HB2 ASN 77 1HB ASN 77 -3.177 7.418 -5.083 606 HB3 ASN 77 2HB ASN 77 -4.764 7.357 -4.365 607 HD21 ASN 77 1HD2 ASN 77 -5.047 5.558 -5.827 608 HD22 ASN 77 2HD2 ASN 77 -5.417 5.717 -7.511 609 H GLU 78 H GLU 78 -4.922 11.795 -5.171 610 HA GLU 78 HA GLU 78 -7.215 11.655 -3.563 611 HB2 GLU 78 1HB GLU 78 -6.102 13.683 -5.491 612 HB3 GLU 78 2HB GLU 78 -7.787 13.847 -4.985 613 HG2 GLU 78 1HG GLU 78 -6.926 13.604 -2.557 614 HG3 GLU 78 2HG GLU 78 -5.313 13.853 -3.230 615 H LYS 79 H LYS 79 -6.887 10.454 -6.633 616 HA LYS 79 HA LYS 79 -9.459 10.427 -7.811 617 HB2 LYS 79 1HB LYS 79 -7.198 8.429 -7.528 618 HB3 LYS 79 2HB LYS 79 -8.658 7.853 -8.257 619 HG2 LYS 79 1HG LYS 79 -7.189 10.288 -9.309 620 HG3 LYS 79 2HG LYS 79 -6.971 8.625 -9.892 621 HD2 LYS 79 1HD LYS 79 -9.762 8.919 -9.821 622 HD3 LYS 79 2HD LYS 79 -9.214 10.503 -10.368 623 HE2 LYS 79 1HE LYS 79 -7.958 9.447 -12.191 624 HE3 LYS 79 2HE LYS 79 -8.360 7.845 -11.514 625 HZ1 LYS 79 3HZ LYS 79 -9.784 8.676 -13.420 626 HZ2 LYS 79 1HZ LYS 79 -10.559 8.082 -12.093 627 HZ3 LYS 79 2HZ LYS 79 -10.497 9.708 -12.342 628 H LEU 80 H LEU 80 -8.227 8.650 -4.963 629 HA LEU 80 HA LEU 80 -10.460 6.852 -4.830 630 HB2 LEU 80 1HB LEU 80 -8.337 7.471 -2.775 631 HB3 LEU 80 2HB LEU 80 -9.500 6.151 -2.699 632 HG LEU 80 HG LEU 80 -6.901 6.081 -3.812 633 HD11 LEU 80 1HD1 LEU 80 -7.473 3.710 -4.161 634 HD12 LEU 80 2HD1 LEU 80 -7.976 4.310 -2.594 635 HD13 LEU 80 3HD1 LEU 80 -9.198 4.108 -3.883 636 HD21 LEU 80 3HD2 LEU 80 -7.381 4.963 -6.034 637 HD22 LEU 80 1HD2 LEU 80 -9.040 5.556 -5.966 638 HD23 LEU 80 2HD2 LEU 80 -7.669 6.691 -6.076 639 H ASP 81 H ASP 81 -10.184 10.165 -3.877 640 HA ASP 81 HA ASP 81 -12.243 10.230 -1.837 641 HB2 ASP 81 1HB ASP 81 -10.610 12.079 -2.284 642 HB3 ASP 81 2HB ASP 81 -11.367 12.340 -3.850 643 H THR 82 H THR 82 -12.324 9.452 -5.154 644 HA THR 82 HA THR 82 -15.234 10.131 -5.342 645 HB THR 82 HB THR 82 -14.969 10.922 -7.561 646 HG1 THR 82 1HG THR 82 -12.253 10.189 -7.276 647 HG21 THR 82 3HG2 THR 82 -14.450 12.535 -5.690 648 HG22 THR 82 1HG2 THR 82 -12.730 12.263 -5.980 649 HG23 THR 82 2HG2 THR 82 -13.738 12.970 -7.258 650 H GLU 83 H GLU 83 -12.586 7.994 -6.386 651 HA GLU 83 HA GLU 83 -14.537 5.816 -6.997 652 HB2 GLU 83 1HB GLU 83 -11.892 6.654 -8.097 653 HB3 GLU 83 2HB GLU 83 -12.443 4.985 -8.330 654 HG2 GLU 83 1HG GLU 83 -14.495 6.897 -9.176 655 HG3 GLU 83 2HG GLU 83 -12.958 7.163 -10.000 656 HA PRO 84 HA PRO 84 -11.765 4.821 -3.380 657 HB2 PRO 84 1HB PRO 84 -13.726 3.993 -1.617 658 HB3 PRO 84 2HB PRO 84 -13.141 5.669 -1.749 659 HG2 PRO 84 1HG PRO 84 -15.646 4.462 -2.899 660 HG3 PRO 84 2HG PRO 84 -15.410 6.096 -2.203 661 HD2 PRO 84 1HD PRO 84 -15.452 5.544 -4.922 662 HD3 PRO 84 2HD PRO 84 -14.512 6.917 -4.258 663 H GLU 85 H GLU 85 -14.723 3.183 -4.636 664 HA GLU 85 HA GLU 85 -14.134 0.491 -3.989 665 HB2 GLU 85 1HB GLU 85 -15.523 1.658 -6.490 666 HB3 GLU 85 2HB GLU 85 -15.629 -0.018 -5.951 667 HG2 GLU 85 1HG GLU 85 -16.758 0.639 -3.923 668 HG3 GLU 85 2HG GLU 85 -16.654 2.351 -4.395 669 H LEU 86 H LEU 86 -12.241 2.468 -6.265 670 HA LEU 86 HA LEU 86 -11.683 0.709 -8.266 671 HB2 LEU 86 1HB LEU 86 -10.921 3.278 -7.380 672 HB3 LEU 86 2HB LEU 86 -9.418 2.385 -7.300 673 HG LEU 86 HG LEU 86 -11.251 2.804 -9.714 674 HD11 LEU 86 1HD1 LEU 86 -9.849 4.714 -9.100 675 HD12 LEU 86 2HD1 LEU 86 -8.402 3.692 -9.107 676 HD13 LEU 86 3HD1 LEU 86 -9.283 3.986 -10.626 677 HD21 LEU 86 3HD2 LEU 86 -10.182 0.511 -9.624 678 HD22 LEU 86 1HD2 LEU 86 -9.615 1.470 -10.996 679 HD23 LEU 86 2HD2 LEU 86 -8.613 1.251 -9.525 680 H ILE 87 H ILE 87 -10.728 0.588 -4.890 681 HA ILE 87 HA ILE 87 -8.417 -0.996 -4.939 682 HB ILE 87 HB ILE 87 -10.694 -1.562 -3.123 683 HG12 ILE 87 1HG1 ILE 87 -10.571 0.678 -2.687 684 HG13 ILE 87 2HG1 ILE 87 -9.420 -0.001 -1.570 685 HG21 ILE 87 1HG2 ILE 87 -9.149 -2.562 -1.770 686 HG22 ILE 87 2HG2 ILE 87 -8.305 -2.850 -3.309 687 HG23 ILE 87 3HG2 ILE 87 -7.817 -1.507 -2.307 688 HD11 ILE 87 3HD1 ILE 87 -8.742 1.584 -4.056 689 HD12 ILE 87 1HD1 ILE 87 -8.552 2.057 -2.375 690 HD13 ILE 87 2HD1 ILE 87 -7.551 0.745 -3.037 691 H ASN 88 H ASN 88 -11.863 -1.794 -5.604 692 HA ASN 88 HA ASN 88 -11.558 -4.649 -5.917 693 HB2 ASN 88 1HB ASN 88 -13.589 -2.679 -6.999 694 HB3 ASN 88 2HB ASN 88 -13.709 -4.427 -7.175 695 HD21 ASN 88 1HD2 ASN 88 -13.512 -1.975 -4.692 696 HD22 ASN 88 2HD2 ASN 88 -14.309 -2.903 -3.379 697 H LYS 89 H LYS 89 -11.651 -1.859 -8.055 698 HA LYS 89 HA LYS 89 -11.914 -3.362 -10.483 699 HB2 LYS 89 1HB LYS 89 -12.092 -0.585 -9.562 700 HB3 LYS 89 2HB LYS 89 -11.230 -0.652 -11.071 701 HG2 LYS 89 1HG LYS 89 -13.198 -2.049 -11.823 702 HG3 LYS 89 2HG LYS 89 -14.046 -1.476 -10.389 703 HD2 LYS 89 1HD LYS 89 -14.673 0.037 -12.118 704 HD3 LYS 89 2HD LYS 89 -13.417 0.904 -11.218 705 HE2 LYS 89 1HE LYS 89 -11.768 0.038 -12.985 706 HE3 LYS 89 2HE LYS 89 -13.160 -0.574 -13.874 707 HZ1 LYS 89 3HZ LYS 89 -12.522 1.565 -14.666 708 HZ2 LYS 89 1HZ LYS 89 -13.996 1.764 -13.938 709 HZ3 LYS 89 2HZ LYS 89 -12.614 2.246 -13.192 710 H ASP 90 H ASP 90 -9.115 -1.945 -8.862 711 HA ASP 90 HA ASP 90 -7.260 -3.224 -10.655 712 HB2 ASP 90 1HB ASP 90 -8.227 -0.656 -11.507 713 HB3 ASP 90 2HB ASP 90 -6.617 -0.372 -10.917 714 HA PRO 91 HA PRO 91 -6.543 -1.942 -6.180 715 HB2 PRO 91 1HB PRO 91 -5.262 -4.401 -5.404 716 HB3 PRO 91 2HB PRO 91 -6.914 -3.902 -5.033 717 HG2 PRO 91 1HG PRO 91 -5.891 -5.752 -7.128 718 HG3 PRO 91 2HG PRO 91 -7.516 -5.697 -6.382 719 HD2 PRO 91 1HD PRO 91 -6.871 -4.840 -8.952 720 HD3 PRO 91 2HD PRO 91 -8.304 -4.277 -8.035 721 H GLU 92 H GLU 92 -4.388 -3.560 -8.433 722 HA GLU 92 HA GLU 92 -2.135 -2.025 -7.300 723 HB2 GLU 92 1HB GLU 92 -1.424 -4.526 -8.694 724 HB3 GLU 92 2HB GLU 92 -0.614 -3.650 -7.439 725 HG2 GLU 92 1HG GLU 92 -1.198 -5.448 -6.217 726 HG3 GLU 92 2HG GLU 92 -2.667 -4.527 -5.911 727 H GLY 93 H GLY 93 -4.185 -1.460 -9.351 728 HA2 GLY 93 1HA GLY 93 -2.241 -0.424 -11.330 729 HA3 GLY 93 2HA GLY 93 -3.969 -0.648 -11.692 730 H GLU 94 H GLU 94 -5.077 1.196 -11.423 731 HA GLU 94 HA GLU 94 -3.979 3.457 -10.056 732 HB2 GLU 94 1HB GLU 94 -6.533 2.883 -11.528 733 HB3 GLU 94 2HB GLU 94 -6.301 4.437 -10.747 734 HG2 GLU 94 1HG GLU 94 -4.191 3.352 -12.643 735 HG3 GLU 94 2HG GLU 94 -5.598 4.232 -13.232 736 H GLY 95 H GLY 95 -5.642 0.872 -8.554 737 HA2 GLY 95 1HA GLY 95 -7.026 2.557 -6.596 738 HA3 GLY 95 2HA GLY 95 -6.914 0.835 -6.586 739 H TRP 96 H TRP 96 -3.989 2.888 -6.961 740 HA TRP 96 HA TRP 96 -2.780 1.922 -4.487 741 HB2 TRP 96 1HB TRP 96 -0.989 3.524 -5.002 742 HB3 TRP 96 2HB TRP 96 -1.334 2.440 -6.336 743 HD1 TRP 96 HD TRP 96 -2.604 3.471 -8.456 744 HE1 TRP 96 1HE TRP 96 -2.690 5.797 -9.479 745 HE3 TRP 96 3HE TRP 96 -0.465 6.027 -4.601 746 HZ2 TRP 96 2HZ TRP 96 -2.048 8.510 -8.611 747 HZ3 TRP 96 3HZ TRP 96 -0.157 8.526 -4.750 748 HH2 TRP 96 HH TRP 96 -0.902 9.739 -6.755 749 H LEU 97 H LEU 97 -2.093 3.494 -2.754 750 HA LEU 97 HA LEU 97 -4.322 5.441 -2.234 751 HB2 LEU 97 1HB LEU 97 -2.430 4.309 -0.168 752 HB3 LEU 97 2HB LEU 97 -3.862 5.310 0.070 753 HG LEU 97 HG LEU 97 -4.544 2.813 -1.326 754 HD11 LEU 97 1HD1 LEU 97 -4.092 1.258 0.475 755 HD12 LEU 97 2HD1 LEU 97 -2.569 2.028 -0.019 756 HD13 LEU 97 3HD1 LEU 97 -3.370 2.572 1.449 757 HD21 LEU 97 3HD2 LEU 97 -6.276 2.597 0.284 758 HD22 LEU 97 1HD2 LEU 97 -5.417 3.476 1.537 759 HD23 LEU 97 2HD2 LEU 97 -6.107 4.356 0.144 760 H PHE 98 H PHE 98 -0.714 5.016 -1.780 761 HA PHE 98 HA PHE 98 -0.393 7.864 -2.399 762 HB2 PHE 98 1HB PHE 98 0.762 8.355 -0.298 763 HB3 PHE 98 2HB PHE 98 -0.898 7.910 -0.027 764 HD1 PHE 98 2HD PHE 98 2.603 6.462 0.022 765 HD2 PHE 98 1HD PHE 98 -1.411 6.256 1.597 766 HE1 PHE 98 2HE PHE 98 3.361 4.861 1.715 767 HE2 PHE 98 1HE PHE 98 -0.592 4.706 3.379 768 HZ PHE 98 HZ PHE 98 1.776 3.983 3.418 769 H LYS 99 H LYS 99 1.994 8.483 -2.146 770 HA LYS 99 HA LYS 99 3.784 6.196 -2.733 771 HB2 LYS 99 1HB LYS 99 4.100 8.931 -4.020 772 HB3 LYS 99 2HB LYS 99 5.110 7.529 -4.200 773 HG2 LYS 99 1HG LYS 99 3.054 6.326 -5.178 774 HG3 LYS 99 2HG LYS 99 2.332 7.925 -5.340 775 HD2 LYS 99 1HD LYS 99 4.384 8.642 -6.646 776 HD3 LYS 99 2HD LYS 99 4.994 6.985 -6.490 777 HE2 LYS 99 1HE LYS 99 2.425 6.575 -7.451 778 HE3 LYS 99 2HE LYS 99 2.880 8.106 -8.225 779 HZ1 LYS 99 3HZ LYS 99 4.890 6.945 -9.023 780 HZ2 LYS 99 1HZ LYS 99 4.286 5.546 -8.384 781 HZ3 LYS 99 2HZ LYS 99 3.460 6.281 -9.596 782 H MET 100 H MET 100 5.919 6.460 -1.937 783 HA MET 100 HA MET 100 6.363 8.661 -0.048 784 HB2 MET 100 1HB MET 100 6.905 6.951 1.671 785 HB3 MET 100 2HB MET 100 5.227 6.883 1.153 786 HG2 MET 100 1HG MET 100 5.632 4.667 1.061 787 HG3 MET 100 2HG MET 100 6.081 5.020 -0.549 788 HE1 MET 100 3HE MET 100 7.565 3.753 3.048 789 HE2 MET 100 1HE MET 100 9.205 4.373 2.854 790 HE3 MET 100 2HE MET 100 7.846 5.507 2.968 791 H GLU 101 H GLU 101 8.559 9.141 0.307 792 HA GLU 101 HA GLU 101 10.581 8.188 -1.529 793 HB2 GLU 101 1HB GLU 101 10.528 10.482 -0.373 794 HB3 GLU 101 2HB GLU 101 10.868 9.643 1.138 795 HG2 GLU 101 1HG GLU 101 12.899 8.588 -0.206 796 HG3 GLU 101 2HG GLU 101 12.620 9.906 -1.332 797 H ILE 102 H ILE 102 11.956 6.467 -1.131 798 HA ILE 102 HA ILE 102 11.472 4.839 1.289 799 HB ILE 102 HB ILE 102 13.038 3.277 0.146 800 HG12 ILE 102 1HG1 ILE 102 12.309 4.630 -2.437 801 HG13 ILE 102 2HG1 ILE 102 13.788 5.118 -1.626 802 HG21 ILE 102 1HG2 ILE 102 10.438 3.870 -1.303 803 HG22 ILE 102 2HG2 ILE 102 11.275 2.293 -1.180 804 HG23 ILE 102 3HG2 ILE 102 10.568 3.041 0.256 805 HD11 ILE 102 3HD1 ILE 102 13.152 2.331 -2.626 806 HD12 ILE 102 1HD1 ILE 102 14.373 3.462 -3.233 807 HD13 ILE 102 2HD1 ILE 102 14.545 2.737 -1.618 808 H SER 103 H SER 103 12.522 5.709 3.038 809 HA SER 103 HA SER 103 15.154 6.891 2.857 810 HB2 SER 103 1HB SER 103 13.481 5.979 5.203 811 HB3 SER 103 2HB SER 103 15.102 6.693 5.365 812 HG SER 103 HG SER 103 14.381 8.484 4.173 813 H ASP 104 H ASP 104 14.234 3.599 2.588 814 HA ASP 104 HA ASP 104 17.072 2.827 2.778 815 HB2 ASP 104 1HB ASP 104 14.701 1.478 4.171 816 HB3 ASP 104 2HB ASP 104 16.179 0.618 3.756 817 H GLU 105 H GLU 105 17.494 1.670 0.842 818 HA GLU 105 HA GLU 105 15.283 0.295 -0.685 819 HB2 GLU 105 1HB GLU 105 16.504 1.754 -2.136 820 HB3 GLU 105 2HB GLU 105 17.971 1.687 -1.206 821 HG2 GLU 105 1HG GLU 105 18.641 -0.379 -2.060 822 HG3 GLU 105 2HG GLU 105 17.108 -0.639 -2.913 823 H GLY 106 H GLY 106 17.322 -0.194 1.918 824 HA2 GLY 106 1HA GLY 106 18.089 -2.943 1.160 825 HA3 GLY 106 2HA GLY 106 18.554 -2.074 2.636 826 H GLU 107 H GLU 107 15.884 -1.264 3.399 827 HA GLU 107 HA GLU 107 15.106 -3.640 4.838 828 HB2 GLU 107 1HB GLU 107 13.835 -0.907 4.434 829 HB3 GLU 107 2HB GLU 107 13.021 -2.165 5.384 830 HG2 GLU 107 1HG GLU 107 15.871 -1.354 6.016 831 HG3 GLU 107 2HG GLU 107 14.529 -0.391 6.574 832 H LEU 108 H LEU 108 14.016 -2.266 1.766 833 HA LEU 108 HA LEU 108 11.924 -3.605 0.841 834 HB2 LEU 108 1HB LEU 108 14.690 -3.364 -0.329 835 HB3 LEU 108 2HB LEU 108 13.263 -3.860 -1.216 836 HG LEU 108 HG LEU 108 12.209 -1.785 -0.967 837 HD11 LEU 108 1HD1 LEU 108 12.967 0.225 -0.193 838 HD12 LEU 108 2HD1 LEU 108 12.450 -0.920 0.971 839 HD13 LEU 108 3HD1 LEU 108 14.182 -0.681 0.805 840 HD21 LEU 108 3HD2 LEU 108 13.639 -0.311 -2.320 841 HD22 LEU 108 1HD2 LEU 108 14.833 -1.639 -2.259 842 HD23 LEU 108 2HD2 LEU 108 13.184 -1.921 -2.887 843 H GLU 109 H GLU 109 15.183 -5.174 1.470 844 HA GLU 109 HA GLU 109 14.170 -7.657 0.289 845 HB2 GLU 109 1HB GLU 109 16.797 -6.771 1.501 846 HB3 GLU 109 2HB GLU 109 16.504 -8.457 1.102 847 HG2 GLU 109 1HG GLU 109 16.238 -6.160 -0.899 848 HG3 GLU 109 2HG GLU 109 17.669 -7.176 -0.705 849 H ASP 110 H ASP 110 13.706 -6.250 3.304 850 HA ASP 110 HA ASP 110 13.389 -8.842 4.738 851 HB2 ASP 110 1HB ASP 110 14.388 -7.177 6.114 852 HB3 ASP 110 2HB ASP 110 13.259 -5.948 5.633 853 H LEU 111 H LEU 111 11.524 -6.666 2.652 854 HA LEU 111 HA LEU 111 8.891 -7.474 3.654 855 HB2 LEU 111 1HB LEU 111 9.963 -6.675 0.942 856 HB3 LEU 111 2HB LEU 111 8.290 -6.994 1.243 857 HG LEU 111 HG LEU 111 9.023 -4.626 1.049 858 HD11 LEU 111 1HD1 LEU 111 7.476 -3.789 2.849 859 HD12 LEU 111 2HD1 LEU 111 6.779 -5.155 1.959 860 HD13 LEU 111 3HD1 LEU 111 7.486 -5.409 3.575 861 HD21 LEU 111 3HD2 LEU 111 10.938 -4.752 2.249 862 HD22 LEU 111 1HD2 LEU 111 9.895 -3.406 2.761 863 HD23 LEU 111 2HD2 LEU 111 10.065 -4.845 3.802 864 H LEU 112 H LEU 112 7.527 -8.796 2.160 865 HA LEU 112 HA LEU 112 8.734 -11.455 1.831 866 HB2 LEU 112 1HB LEU 112 5.956 -10.351 1.259 867 HB3 LEU 112 2HB LEU 112 6.409 -12.044 1.135 868 HG LEU 112 HG LEU 112 6.832 -10.600 3.777 869 HD11 LEU 112 1HD1 LEU 112 4.210 -11.764 2.845 870 HD12 LEU 112 2HD1 LEU 112 4.609 -11.240 4.489 871 HD13 LEU 112 3HD1 LEU 112 4.628 -10.059 3.174 872 HD21 LEU 112 3HD2 LEU 112 6.467 -12.806 4.753 873 HD22 LEU 112 1HD2 LEU 112 6.163 -13.505 3.143 874 HD23 LEU 112 2HD2 LEU 112 7.774 -12.876 3.555 875 H ASP 113 H ASP 113 9.302 -12.254 -0.129 876 HA ASP 113 HA ASP 113 9.304 -10.736 -2.608 877 HB2 ASP 113 1HB ASP 113 9.579 -13.683 -1.921 878 HB3 ASP 113 2HB ASP 113 9.358 -13.201 -3.583 879 H GLU 114 H GLU 114 8.091 -11.737 -4.429 880 HA GLU 114 HA GLU 114 5.254 -11.328 -4.145 881 HB2 GLU 114 1HB GLU 114 6.721 -10.761 -6.105 882 HB3 GLU 114 2HB GLU 114 6.949 -12.474 -6.402 883 HG2 GLU 114 1HG GLU 114 4.543 -12.756 -6.874 884 HG3 GLU 114 2HG GLU 114 4.212 -11.091 -6.421 885 H GLN 115 H GLN 115 7.383 -14.278 -4.461 886 HA GLN 115 HA GLN 115 5.182 -16.064 -4.498 887 HB2 GLN 115 1HB GLN 115 7.293 -16.426 -5.675 888 HB3 GLN 115 2HB GLN 115 8.211 -16.329 -4.163 889 HG2 GLN 115 1HG GLN 115 7.289 -18.311 -3.341 890 HG3 GLN 115 2HG GLN 115 5.956 -18.289 -4.510 891 HE21 GLN 115 1HE2 GLN 115 8.693 -20.029 -3.853 892 HE22 GLN 115 2HE2 GLN 115 9.173 -20.496 -5.443 893 H ALA 116 H ALA 116 7.573 -14.815 -2.105 894 HA ALA 116 HA ALA 116 6.783 -16.524 0.058 895 HB1 ALA 116 1HB ALA 116 8.015 -13.758 0.227 896 HB2 ALA 116 2HB ALA 116 7.996 -14.996 1.495 897 HB3 ALA 116 3HB ALA 116 8.930 -15.279 0.016 898 H TYR 117 H TYR 117 5.565 -13.405 -1.129 899 HA TYR 117 HA TYR 117 3.803 -12.766 0.966 900 HB2 TYR 117 1HB TYR 117 4.220 -11.148 -0.628 901 HB3 TYR 117 2HB TYR 117 4.012 -12.236 -1.982 902 HD1 TYR 117 2HD TYR 117 1.974 -10.525 0.692 903 HD2 TYR 117 1HD TYR 117 2.169 -12.166 -3.269 904 HE1 TYR 117 2HE TYR 117 -0.377 -9.858 0.304 905 HE2 TYR 117 1HE TYR 117 -0.160 -11.590 -3.681 906 HH TYR 117 HH TYR 117 -2.159 -10.698 -2.700 907 H GLN 118 H GLN 118 3.363 -15.029 -1.734 908 HA GLN 118 HA GLN 118 0.618 -15.704 -1.072 909 HB2 GLN 118 1HB GLN 118 2.431 -17.680 -2.441 910 HB3 GLN 118 2HB GLN 118 0.721 -17.364 -2.698 911 HG2 GLN 118 1HG GLN 118 3.063 -15.683 -3.568 912 HG3 GLN 118 2HG GLN 118 2.091 -16.724 -4.609 913 HE21 GLN 118 1HE2 GLN 118 2.487 -13.890 -5.066 914 HE22 GLN 118 2HE2 GLN 118 0.821 -13.304 -5.204 915 H GLU 119 H GLU 119 3.814 -17.131 -0.463 916 HA GLU 119 HA GLU 119 3.021 -19.426 0.882 917 HB2 GLU 119 1HB GLU 119 5.168 -19.816 0.966 918 HB3 GLU 119 2HB GLU 119 5.456 -18.241 0.284 919 HG2 GLU 119 1HG GLU 119 5.745 -17.324 2.610 920 HG3 GLU 119 2HG GLU 119 5.456 -18.934 3.265 921 H PHE 120 H PHE 120 3.685 -16.263 2.352 922 HA PHE 120 HA PHE 120 3.239 -16.754 5.038 923 HB2 PHE 120 1HB PHE 120 3.984 -14.643 3.852 924 HB3 PHE 120 2HB PHE 120 2.326 -14.312 3.435 925 HD1 PHE 120 2HD PHE 120 4.201 -15.344 6.560 926 HD2 PHE 120 1HD PHE 120 1.341 -12.651 4.776 927 HE1 PHE 120 2HE PHE 120 3.877 -14.263 8.714 928 HE2 PHE 120 1HE PHE 120 1.016 -11.547 6.964 929 HZ PHE 120 HZ PHE 120 2.323 -12.291 8.943 930 H CYS 121 H CYS 121 0.864 -15.915 2.587 931 HA CYS 121 HA CYS 121 -1.432 -15.871 4.334 932 HB2 CYS 121 1HB CYS 121 -1.007 -14.904 1.849 933 HB3 CYS 121 2HB CYS 121 -1.740 -16.449 1.395 934 HG CYS 121 HG CYS 121 -3.850 -16.147 3.007 935 H ALA 122 H ALA 122 0.267 -18.528 2.794 936 HA ALA 122 HA ALA 122 -1.982 -20.409 3.082 937 HB1 ALA 122 1HB ALA 122 -0.420 -22.033 2.124 938 HB2 ALA 122 2HB ALA 122 -0.501 -20.584 1.116 939 HB3 ALA 122 3HB ALA 122 0.897 -20.850 2.185 940 H GLN 123 H GLN 123 0.385 -19.106 5.208 941 HA GLN 123 HA GLN 123 0.332 -21.559 6.901 942 HB2 GLN 123 1HB GLN 123 2.016 -19.028 7.148 943 HB3 GLN 123 2HB GLN 123 2.090 -20.447 8.196 944 HG2 GLN 123 1HG GLN 123 2.695 -21.804 6.127 945 HG3 GLN 123 2HG GLN 123 2.878 -20.267 5.289 946 HE21 GLN 123 1HE2 GLN 123 4.583 -22.601 7.133 947 HE22 GLN 123 2HE2 GLN 123 5.973 -21.602 7.460 948 H GLU 124 H GLU 124 -1.292 -18.585 6.477 949 HA GLU 124 HA GLU 124 -1.352 -17.528 9.063 950 HB2 GLU 124 1HB GLU 124 -1.998 -16.203 7.164 951 HB3 GLU 124 2HB GLU 124 -3.332 -17.290 6.748 952 HG2 GLU 124 1HG GLU 124 -4.531 -16.700 8.802 953 HG3 GLU 124 2HG GLU 124 -3.164 -15.746 9.370 Start of MODEL 12 1 H1 MET 1 H MET 1 16.346 -1.354 -6.886 2 HA MET 1 HA MET 1 15.418 0.626 -7.892 3 HB2 MET 1 1HB MET 1 17.182 0.160 -10.313 4 HB3 MET 1 2HB MET 1 16.164 1.542 -9.920 5 HG2 MET 1 1HG MET 1 18.077 2.513 -9.266 6 HG3 MET 1 2HG MET 1 17.885 1.583 -7.792 7 HE1 MET 1 3HE MET 1 20.311 2.657 -10.361 8 HE2 MET 1 1HE MET 1 21.094 1.198 -11.004 9 HE3 MET 1 2HE MET 1 19.400 1.546 -11.411 10 H LYS 2 H LYS 2 13.529 0.351 -9.183 11 HA LYS 2 HA LYS 2 11.850 -0.782 -10.171 12 HB2 LYS 2 1HB LYS 2 14.006 -2.194 -11.777 13 HB3 LYS 2 2HB LYS 2 12.285 -2.113 -12.158 14 HG2 LYS 2 1HG LYS 2 12.424 0.315 -12.462 15 HG3 LYS 2 2HG LYS 2 14.139 0.290 -11.988 16 HD2 LYS 2 1HD LYS 2 14.722 -1.089 -13.903 17 HD3 LYS 2 2HD LYS 2 13.010 -1.194 -14.384 18 HE2 LYS 2 1HE LYS 2 12.932 1.271 -14.629 19 HE3 LYS 2 2HE LYS 2 14.635 1.394 -14.178 20 HZ1 LYS 2 3HZ LYS 2 15.194 0.141 -16.162 21 HZ2 LYS 2 1HZ LYS 2 13.582 -0.123 -16.472 22 HZ3 LYS 2 2HZ LYS 2 14.171 1.383 -16.592 23 H MET 3 H MET 3 11.843 -1.677 -7.862 24 HA MET 3 HA MET 3 11.926 -4.656 -7.950 25 HB2 MET 3 1HB MET 3 13.595 -3.627 -6.408 26 HB3 MET 3 2HB MET 3 12.297 -2.786 -5.559 27 HG2 MET 3 1HG MET 3 11.272 -4.908 -4.967 28 HG3 MET 3 2HG MET 3 12.490 -5.812 -5.885 29 HE1 MET 3 3HE MET 3 15.652 -5.086 -3.611 30 HE2 MET 3 1HE MET 3 15.106 -5.805 -5.152 31 HE3 MET 3 2HE MET 3 15.135 -4.035 -4.921 32 H LYS 4 H LYS 4 10.057 -5.657 -6.839 33 HA LYS 4 HA LYS 4 8.431 -3.766 -5.419 34 HB2 LYS 4 1HB LYS 4 6.950 -3.625 -7.131 35 HB3 LYS 4 2HB LYS 4 7.350 -5.206 -7.787 36 HG2 LYS 4 1HG LYS 4 6.025 -6.344 -6.155 37 HG3 LYS 4 2HG LYS 4 5.807 -4.899 -5.171 38 HD2 LYS 4 1HD LYS 4 3.814 -5.384 -6.369 39 HD3 LYS 4 2HD LYS 4 4.476 -3.850 -6.967 40 HE2 LYS 4 1HE LYS 4 5.417 -5.034 -8.938 41 HE3 LYS 4 2HE LYS 4 4.881 -6.587 -8.280 42 HZ1 LYS 4 3HZ LYS 4 2.598 -5.701 -8.369 43 HZ2 LYS 4 1HZ LYS 4 3.107 -4.404 -9.175 44 HZ3 LYS 4 2HZ LYS 4 3.297 -5.894 -9.854 45 H LYS 5 H LYS 5 8.326 -4.432 -3.467 46 HA LYS 5 HA LYS 5 8.136 -7.339 -2.834 47 HB2 LYS 5 1HB LYS 5 9.479 -5.061 -1.336 48 HB3 LYS 5 2HB LYS 5 9.135 -6.613 -0.579 49 HG2 LYS 5 1HG LYS 5 10.602 -6.753 -3.191 50 HG3 LYS 5 2HG LYS 5 11.471 -6.055 -1.808 51 HD2 LYS 5 1HD LYS 5 11.130 -8.118 -0.531 52 HD3 LYS 5 2HD LYS 5 10.068 -8.726 -1.793 53 HE2 LYS 5 1HE LYS 5 12.348 -9.749 -1.789 54 HE3 LYS 5 2HE LYS 5 11.805 -9.106 -3.329 55 HZ1 LYS 5 3HZ LYS 5 13.252 -7.225 -3.036 56 HZ2 LYS 5 1HZ LYS 5 13.586 -7.636 -1.482 57 HZ3 LYS 5 2HZ LYS 5 14.129 -8.558 -2.691 58 H TYR 6 H TYR 6 7.143 -7.469 -0.395 59 HA TYR 6 HA TYR 6 4.535 -6.055 -0.418 60 HB2 TYR 6 1HB TYR 6 5.154 -9.003 -0.518 61 HB3 TYR 6 2HB TYR 6 3.509 -8.351 -0.399 62 HD1 TYR 6 1HD TYR 6 6.428 -9.024 -2.575 63 HD2 TYR 6 2HD TYR 6 2.360 -7.579 -2.379 64 HE1 TYR 6 1HE TYR 6 6.349 -8.901 -5.059 65 HE2 TYR 6 2HE TYR 6 2.242 -7.607 -4.879 66 HH TYR 6 HH TYR 6 5.002 -8.596 -6.940 67 H THR 7 H THR 7 3.186 -6.838 1.690 68 HA THR 7 HA THR 7 4.995 -7.712 3.842 69 HB THR 7 HB THR 7 4.046 -5.968 5.237 70 HG1 THR 7 1HG THR 7 2.805 -4.363 4.355 71 HG21 THR 7 3HG2 THR 7 5.092 -4.628 2.698 72 HG22 THR 7 1HG2 THR 7 5.258 -4.084 4.379 73 HG23 THR 7 2HG2 THR 7 6.130 -5.515 3.831 74 H LYS 8 H LYS 8 3.693 -8.053 5.773 75 HA LYS 8 HA LYS 8 1.630 -10.079 5.293 76 HB2 LYS 8 1HB LYS 8 2.570 -8.952 7.972 77 HB3 LYS 8 2HB LYS 8 1.345 -10.136 7.818 78 HG2 LYS 8 1HG LYS 8 2.811 -11.779 7.816 79 HG3 LYS 8 2HG LYS 8 3.568 -11.187 6.343 80 HD2 LYS 8 1HD LYS 8 4.156 -10.305 9.210 81 HD3 LYS 8 2HD LYS 8 5.085 -11.497 8.273 82 HE2 LYS 8 1HE LYS 8 5.625 -9.871 6.585 83 HE3 LYS 8 2HE LYS 8 4.593 -8.661 7.347 84 HZ1 LYS 8 3HZ LYS 8 6.021 -8.538 9.194 85 HZ2 LYS 8 1HZ LYS 8 6.944 -9.825 8.713 86 HZ3 LYS 8 2HZ LYS 8 6.986 -8.410 7.863 87 H THR 9 H THR 9 1.402 -6.571 5.657 88 HA THR 9 HA THR 9 -1.419 -6.854 6.489 89 HB THR 9 HB THR 9 -1.314 -4.413 6.717 90 HG1 THR 9 1HG THR 9 0.147 -3.524 5.435 91 HG21 THR 9 3HG2 THR 9 0.299 -4.314 8.562 92 HG22 THR 9 1HG2 THR 9 -0.548 -5.865 8.592 93 HG23 THR 9 2HG2 THR 9 1.126 -5.751 7.998 94 H HIS 10 H HIS 10 -0.550 -8.160 4.124 95 HA HIS 10 HA HIS 10 -0.942 -8.414 1.900 96 HB2 HIS 10 1HB HIS 10 -3.513 -8.092 1.478 97 HB3 HIS 10 2HB HIS 10 -2.944 -9.328 2.579 98 HD1 HIS 10 1HD HIS 10 -4.172 -5.682 2.764 99 HD2 HIS 10 2HD HIS 10 -3.787 -9.176 5.069 100 HE1 HIS 10 1HE HIS 10 -5.489 -5.284 4.935 101 HE2 HIS 10 2HE HIS 10 -5.247 -7.433 6.347 102 H GLU 11 H GLU 11 0.566 -6.555 1.648 103 HA GLU 11 HA GLU 11 -0.623 -4.290 0.170 104 HB2 GLU 11 1HB GLU 11 0.700 -4.493 2.793 105 HB3 GLU 11 2HB GLU 11 1.551 -3.407 1.722 106 HG2 GLU 11 1HG GLU 11 -0.610 -2.154 1.383 107 HG3 GLU 11 2HG GLU 11 -1.404 -3.294 2.481 108 H TRP 12 H TRP 12 0.591 -3.636 -1.559 109 HA TRP 12 HA TRP 12 3.128 -5.076 -2.173 110 HB2 TRP 12 1HB TRP 12 2.560 -4.853 -4.518 111 HB3 TRP 12 2HB TRP 12 1.327 -5.770 -3.681 112 HD1 TRP 12 HD TRP 12 -1.096 -4.931 -3.792 113 HE1 TRP 12 1HE TRP 12 -2.332 -2.952 -4.778 114 HE3 TRP 12 3HE TRP 12 2.937 -2.178 -5.380 115 HZ2 TRP 12 2HZ TRP 12 -1.675 -0.508 -6.198 116 HZ3 TRP 12 3HZ TRP 12 2.552 -0.059 -6.579 117 HH2 TRP 12 HH TRP 12 0.306 0.791 -6.999 118 H VAL 13 H VAL 13 4.766 -3.831 -3.140 119 HA VAL 13 HA VAL 13 4.581 -0.908 -2.667 120 HB VAL 13 HB VAL 13 6.885 -2.742 -1.904 121 HG11 VAL 13 1HG1 VAL 13 6.021 -0.018 -0.968 122 HG12 VAL 13 2HG1 VAL 13 7.289 -1.012 -0.215 123 HG13 VAL 13 3HG1 VAL 13 7.483 -0.497 -1.884 124 HG21 VAL 13 3HG2 VAL 13 4.968 -3.718 -0.657 125 HG22 VAL 13 1HG2 VAL 13 6.050 -2.872 0.414 126 HG23 VAL 13 2HG2 VAL 13 4.517 -2.114 -0.098 127 H SER 14 H SER 14 5.402 0.183 -4.432 128 HA SER 14 HA SER 14 6.817 -1.388 -6.558 129 HB2 SER 14 1HB SER 14 4.508 0.363 -6.342 130 HB3 SER 14 2HB SER 14 5.592 0.914 -7.596 131 HG SER 14 HG SER 14 5.477 -1.242 -8.480 132 H ILE 15 H ILE 15 8.999 -0.887 -6.391 133 HA ILE 15 HA ILE 15 9.718 1.920 -5.782 134 HB ILE 15 HB ILE 15 10.762 -0.763 -4.931 135 HG12 ILE 15 1HG1 ILE 15 10.256 1.901 -3.514 136 HG13 ILE 15 2HG1 ILE 15 9.016 0.666 -3.753 137 HG21 ILE 15 1HG2 ILE 15 12.405 1.819 -4.915 138 HG22 ILE 15 2HG2 ILE 15 12.775 0.358 -3.959 139 HG23 ILE 15 3HG2 ILE 15 12.803 0.277 -5.714 140 HD11 ILE 15 3HD1 ILE 15 9.854 0.550 -1.513 141 HD12 ILE 15 1HD1 ILE 15 10.246 -0.922 -2.388 142 HD13 ILE 15 2HD1 ILE 15 11.504 0.304 -2.096 143 H GLU 16 H GLU 16 10.030 2.958 -7.573 144 HA GLU 16 HA GLU 16 11.437 1.749 -9.847 145 HB2 GLU 16 1HB GLU 16 11.053 3.914 -10.952 146 HB3 GLU 16 2HB GLU 16 9.627 3.030 -10.436 147 HG2 GLU 16 1HG GLU 16 9.572 4.612 -8.379 148 HG3 GLU 16 2HG GLU 16 10.754 5.594 -9.252 149 H ASP 17 H ASP 17 12.029 4.857 -8.190 150 HA ASP 17 HA ASP 17 14.975 4.402 -8.437 151 HB2 ASP 17 1HB ASP 17 13.233 6.600 -9.428 152 HB3 ASP 17 2HB ASP 17 14.618 7.135 -8.477 153 H LYS 18 H LYS 18 12.959 6.893 -6.749 154 HA LYS 18 HA LYS 18 14.220 6.023 -4.159 155 HB2 LYS 18 1HB LYS 18 13.543 8.880 -4.961 156 HB3 LYS 18 2HB LYS 18 14.392 8.346 -3.516 157 HG2 LYS 18 1HG LYS 18 16.336 7.653 -4.948 158 HG3 LYS 18 2HG LYS 18 15.485 8.340 -6.353 159 HD2 LYS 18 1HD LYS 18 15.290 10.514 -5.066 160 HD3 LYS 18 2HD LYS 18 16.319 9.802 -3.811 161 HE2 LYS 18 1HE LYS 18 18.164 9.594 -5.405 162 HE3 LYS 18 2HE LYS 18 17.134 10.181 -6.717 163 HZ1 LYS 18 3HZ LYS 18 18.581 11.896 -5.735 164 HZ2 LYS 18 1HZ LYS 18 16.989 12.310 -5.653 165 HZ3 LYS 18 2HZ LYS 18 17.785 11.781 -4.313 166 H VAL 19 H VAL 19 11.296 5.827 -5.554 167 HA VAL 19 HA VAL 19 9.913 6.491 -3.042 168 HB VAL 19 HB VAL 19 9.110 7.299 -5.863 169 HG11 VAL 19 1HG1 VAL 19 7.179 6.597 -4.127 170 HG12 VAL 19 2HG1 VAL 19 7.449 8.248 -3.550 171 HG13 VAL 19 3HG1 VAL 19 7.041 7.939 -5.246 172 HG21 VAL 19 3HG2 VAL 19 10.705 8.909 -4.896 173 HG22 VAL 19 1HG2 VAL 19 9.091 9.617 -4.970 174 HG23 VAL 19 2HG2 VAL 19 9.714 9.024 -3.419 175 H ALA 20 H ALA 20 8.277 5.011 -2.561 176 HA ALA 20 HA ALA 20 7.774 2.729 -4.414 177 HB1 ALA 20 1HB ALA 20 8.438 2.193 -1.948 178 HB2 ALA 20 2HB ALA 20 6.882 2.889 -1.517 179 HB3 ALA 20 3HB ALA 20 6.940 1.482 -2.583 180 H THR 21 H THR 21 5.834 2.648 -5.303 181 HA THR 21 HA THR 21 3.573 4.319 -4.335 182 HB THR 21 HB THR 21 3.456 2.006 -6.294 183 HG1 THR 21 1HG THR 21 4.095 3.311 -7.850 184 HG21 THR 21 3HG2 THR 21 1.293 2.761 -5.476 185 HG22 THR 21 1HG2 THR 21 1.650 4.429 -5.962 186 HG23 THR 21 2HG2 THR 21 1.495 3.153 -7.189 187 H VAL 22 H VAL 22 2.300 3.614 -2.695 188 HA VAL 22 HA VAL 22 2.392 0.811 -1.744 189 HB VAL 22 HB VAL 22 1.235 3.353 -0.511 190 HG11 VAL 22 1HG1 VAL 22 0.253 1.102 0.318 191 HG12 VAL 22 2HG1 VAL 22 1.870 0.818 1.006 192 HG13 VAL 22 3HG1 VAL 22 0.921 2.181 1.525 193 HG21 VAL 22 3HG2 VAL 22 3.910 1.963 -0.133 194 HG22 VAL 22 1HG2 VAL 22 3.586 3.661 -0.581 195 HG23 VAL 22 2HG2 VAL 22 3.236 3.095 1.053 196 H GLY 23 H GLY 23 0.677 -0.504 -2.166 197 HA2 GLY 23 1HA GLY 23 -2.002 0.550 -1.937 198 HA3 GLY 23 2HA GLY 23 -1.738 -0.209 -3.459 199 H ILE 24 H ILE 24 -3.597 -1.365 -1.916 200 HA ILE 24 HA ILE 24 -2.363 -3.530 -0.322 201 HB ILE 24 HB ILE 24 -4.437 -4.083 0.545 202 HG12 ILE 24 1HG1 ILE 24 -5.753 -1.975 -1.209 203 HG13 ILE 24 2HG1 ILE 24 -5.873 -3.724 -1.437 204 HG21 ILE 24 1HG2 ILE 24 -4.397 -1.054 0.657 205 HG22 ILE 24 2HG2 ILE 24 -4.890 -2.196 1.907 206 HG23 ILE 24 3HG2 ILE 24 -3.182 -2.059 1.473 207 HD11 ILE 24 3HD1 ILE 24 -7.789 -3.443 -0.243 208 HD12 ILE 24 1HD1 ILE 24 -6.713 -3.603 1.145 209 HD13 ILE 24 2HD1 ILE 24 -7.197 -2.005 0.618 210 H THR 25 H THR 25 -3.033 -5.821 -0.830 211 HA THR 25 HA THR 25 -2.977 -6.182 -3.744 212 HB THR 25 HB THR 25 -2.372 -8.472 -3.184 213 HG1 THR 25 1HG THR 25 -2.276 -9.206 -1.221 214 HG21 THR 25 3HG2 THR 25 -0.302 -8.059 -1.802 215 HG22 THR 25 1HG2 THR 25 -0.495 -6.978 -3.162 216 HG23 THR 25 2HG2 THR 25 -0.855 -6.422 -1.498 217 H ASN 26 H ASN 26 -4.191 -8.174 -4.661 218 HA ASN 26 HA ASN 26 -6.954 -7.916 -4.532 219 HB2 ASN 26 1HB ASN 26 -7.003 -9.604 -5.992 220 HB3 ASN 26 2HB ASN 26 -5.265 -9.397 -6.017 221 HD21 ASN 26 1HD2 ASN 26 -7.933 -11.745 -5.154 222 HD22 ASN 26 2HD2 ASN 26 -6.819 -12.826 -4.415 223 H HIS 27 H HIS 27 -4.897 -10.042 -2.527 224 HA HIS 27 HA HIS 27 -6.840 -11.474 -1.161 225 HB2 HIS 27 1HB HIS 27 -4.295 -11.686 -1.159 226 HB3 HIS 27 2HB HIS 27 -4.267 -10.434 0.089 227 HD1 HIS 27 1HD HIS 27 -5.098 -14.195 -0.414 228 HD2 HIS 27 2HD HIS 27 -5.189 -11.173 2.577 229 HE1 HIS 27 1HE HIS 27 -5.245 -15.377 1.812 230 HE2 HIS 27 2HE HIS 27 -5.442 -13.543 3.614 231 H ALA 28 H ALA 28 -6.146 -8.093 -0.852 232 HA ALA 28 HA ALA 28 -7.228 -7.794 1.845 233 HB1 ALA 28 1HB ALA 28 -5.146 -6.711 0.882 234 HB2 ALA 28 2HB ALA 28 -6.240 -5.699 -0.091 235 HB3 ALA 28 3HB ALA 28 -6.316 -5.646 1.687 236 H GLN 29 H GLN 29 -8.023 -6.656 -1.525 237 HA GLN 29 HA GLN 29 -10.503 -5.452 -0.743 238 HB2 GLN 29 1HB GLN 29 -11.042 -5.463 -3.140 239 HB3 GLN 29 2HB GLN 29 -9.434 -4.867 -2.797 240 HG2 GLN 29 1HG GLN 29 -9.150 -6.041 -4.744 241 HG3 GLN 29 2HG GLN 29 -8.538 -7.096 -3.510 242 HE21 GLN 29 1HE2 GLN 29 -9.404 -9.190 -3.587 243 HE22 GLN 29 2HE2 GLN 29 -10.871 -9.608 -4.458 244 H GLU 30 H GLU 30 -9.611 -8.827 -1.272 245 HA GLU 30 HA GLU 30 -12.150 -9.972 -1.641 246 HB2 GLU 30 1HB GLU 30 -9.386 -10.717 -0.862 247 HB3 GLU 30 2HB GLU 30 -10.576 -11.737 -0.123 248 HG2 GLU 30 1HG GLU 30 -11.044 -11.211 -3.032 249 HG3 GLU 30 2HG GLU 30 -9.511 -11.980 -2.664 250 H GLN 31 H GLN 31 -10.678 -8.550 1.251 251 HA GLN 31 HA GLN 31 -12.609 -9.971 2.974 252 HB2 GLN 31 1HB GLN 31 -10.500 -7.962 3.786 253 HB3 GLN 31 2HB GLN 31 -11.441 -9.036 4.837 254 HG2 GLN 31 1HG GLN 31 -9.298 -9.710 2.844 255 HG3 GLN 31 2HG GLN 31 -9.258 -9.990 4.589 256 HE21 GLN 31 1HE2 GLN 31 -9.120 -11.731 1.913 257 HE22 GLN 31 2HE2 GLN 31 -10.177 -13.062 2.341 258 H LEU 32 H LEU 32 -11.902 -6.604 1.870 259 HA LEU 32 HA LEU 32 -14.059 -5.603 3.592 260 HB2 LEU 32 1HB LEU 32 -12.405 -3.977 1.677 261 HB3 LEU 32 2HB LEU 32 -13.366 -3.447 3.040 262 HG LEU 32 HG LEU 32 -10.672 -4.587 2.891 263 HD11 LEU 32 1HD1 LEU 32 -11.699 -2.612 4.872 264 HD12 LEU 32 2HD1 LEU 32 -10.033 -2.886 4.383 265 HD13 LEU 32 3HD1 LEU 32 -11.162 -2.155 3.228 266 HD21 LEU 32 3HD2 LEU 32 -11.580 -6.207 4.577 267 HD22 LEU 32 1HD2 LEU 32 -10.549 -5.031 5.380 268 HD23 LEU 32 2HD2 LEU 32 -12.298 -4.881 5.456 269 H GLY 33 H GLY 33 -13.410 -6.074 0.106 270 HA2 GLY 33 1HA GLY 33 -14.777 -6.229 -1.667 271 HA3 GLY 33 2HA GLY 33 -16.127 -6.329 -0.535 272 H ASP 34 H ASP 34 -17.546 -4.856 -0.778 273 HA ASP 34 HA ASP 34 -17.283 -2.557 -2.480 274 HB2 ASP 34 1HB ASP 34 -19.598 -2.954 -0.554 275 HB3 ASP 34 2HB ASP 34 -19.580 -2.165 -2.118 276 H VAL 35 H VAL 35 -15.667 -1.305 -1.599 277 HA VAL 35 HA VAL 35 -15.824 -0.234 1.127 278 HB VAL 35 HB VAL 35 -14.124 0.853 -1.121 279 HG11 VAL 35 1HG1 VAL 35 -14.360 1.924 1.402 280 HG12 VAL 35 2HG1 VAL 35 -13.383 0.597 1.848 281 HG13 VAL 35 3HG1 VAL 35 -12.778 1.755 0.633 282 HG21 VAL 35 3HG2 VAL 35 -13.593 -1.508 -0.941 283 HG22 VAL 35 1HG2 VAL 35 -12.308 -0.530 -0.219 284 HG23 VAL 35 2HG2 VAL 35 -13.483 -1.390 0.812 285 H VAL 36 H VAL 36 -15.371 2.471 0.482 286 HA VAL 36 HA VAL 36 -17.585 3.796 -0.745 287 HB VAL 36 HB VAL 36 -18.136 4.776 1.581 288 HG11 VAL 36 1HG1 VAL 36 -19.317 2.027 1.115 289 HG12 VAL 36 2HG1 VAL 36 -20.090 3.485 1.773 290 HG13 VAL 36 3HG1 VAL 36 -19.687 3.415 0.062 291 HG21 VAL 36 3HG2 VAL 36 -18.263 2.841 3.340 292 HG22 VAL 36 1HG2 VAL 36 -16.806 2.289 2.492 293 HG23 VAL 36 2HG2 VAL 36 -16.856 3.905 3.199 294 H TYR 37 H TYR 37 -14.759 3.765 1.519 295 HA TYR 37 HA TYR 37 -13.908 6.354 0.398 296 HB2 TYR 37 1HB TYR 37 -15.492 6.985 2.189 297 HB3 TYR 37 2HB TYR 37 -14.611 5.948 3.328 298 HD1 TYR 37 2HD TYR 37 -13.916 8.757 0.891 299 HD2 TYR 37 1HD TYR 37 -13.014 6.967 4.741 300 HE1 TYR 37 2HE TYR 37 -12.274 10.561 1.348 301 HE2 TYR 37 1HE TYR 37 -11.317 8.747 5.133 302 HH TYR 37 HH TYR 37 -10.294 10.703 4.321 303 H VAL 38 H VAL 38 -11.770 7.077 1.256 304 HA VAL 38 HA VAL 38 -10.204 5.220 2.785 305 HB VAL 38 HB VAL 38 -9.051 6.133 0.146 306 HG11 VAL 38 1HG1 VAL 38 -8.404 3.985 2.159 307 HG12 VAL 38 2HG1 VAL 38 -7.672 4.058 0.564 308 HG13 VAL 38 3HG1 VAL 38 -7.464 5.422 1.704 309 HG21 VAL 38 3HG2 VAL 38 -10.574 3.529 0.308 310 HG22 VAL 38 1HG2 VAL 38 -10.899 4.924 -0.737 311 HG23 VAL 38 2HG2 VAL 38 -9.429 4.004 -0.954 312 H ASP 39 H ASP 39 -8.777 6.079 3.987 313 HA ASP 39 HA ASP 39 -8.586 8.944 4.028 314 HB2 ASP 39 1HB ASP 39 -8.799 8.162 6.243 315 HB3 ASP 39 2HB ASP 39 -7.963 6.694 5.873 316 H LEU 40 H LEU 40 -6.763 9.967 3.452 317 HA LEU 40 HA LEU 40 -4.386 8.447 2.557 318 HB2 LEU 40 1HB LEU 40 -5.605 10.838 1.123 319 HB3 LEU 40 2HB LEU 40 -4.168 9.951 0.629 320 HG LEU 40 HG LEU 40 -7.008 8.865 0.676 321 HD11 LEU 40 1HD1 LEU 40 -6.636 10.511 -1.087 322 HD12 LEU 40 2HD1 LEU 40 -5.174 9.643 -1.636 323 HD13 LEU 40 3HD1 LEU 40 -6.781 8.903 -1.769 324 HD21 LEU 40 3HD2 LEU 40 -5.167 7.091 1.046 325 HD22 LEU 40 1HD2 LEU 40 -6.272 6.875 -0.281 326 HD23 LEU 40 2HD2 LEU 40 -4.625 7.480 -0.598 327 HA PRO 41 HA PRO 41 -2.371 11.070 5.281 328 HB2 PRO 41 1HB PRO 41 0.198 10.907 4.534 329 HB3 PRO 41 2HB PRO 41 -0.750 9.595 5.230 330 HG2 PRO 41 1HG PRO 41 -0.024 10.025 2.330 331 HG3 PRO 41 2HG PRO 41 -0.177 8.481 3.239 332 HD2 PRO 41 1HD PRO 41 -2.108 9.639 1.545 333 HD3 PRO 41 2HD PRO 41 -2.377 8.333 2.717 334 H GLU 42 H GLU 42 -0.522 12.914 5.364 335 HA GLU 42 HA GLU 42 -1.122 15.069 3.501 336 HB2 GLU 42 1HB GLU 42 -0.351 15.201 6.042 337 HB3 GLU 42 2HB GLU 42 1.266 14.967 5.356 338 HG2 GLU 42 1HG GLU 42 0.365 16.862 3.663 339 HG3 GLU 42 2HG GLU 42 -0.662 17.235 5.032 340 H VAL 43 H VAL 43 0.345 15.807 1.867 341 HA VAL 43 HA VAL 43 1.909 13.919 0.505 342 HB VAL 43 HB VAL 43 0.542 16.215 -0.078 343 HG11 VAL 43 1HG1 VAL 43 3.404 17.005 -0.688 344 HG12 VAL 43 2HG1 VAL 43 1.933 17.927 -0.985 345 HG13 VAL 43 3HG1 VAL 43 2.485 17.666 0.686 346 HG21 VAL 43 3HG2 VAL 43 1.164 15.871 -2.349 347 HG22 VAL 43 1HG2 VAL 43 2.654 15.034 -1.881 348 HG23 VAL 43 2HG2 VAL 43 1.062 14.298 -1.570 349 H GLY 44 H GLY 44 2.928 14.893 3.199 350 HA2 GLY 44 1HA GLY 44 5.793 14.813 2.613 351 HA3 GLY 44 2HA GLY 44 5.240 16.297 3.419 352 H ARG 45 H ARG 45 3.351 13.487 4.185 353 HA ARG 45 HA ARG 45 3.933 13.875 6.972 354 HB2 ARG 45 1HB ARG 45 1.737 12.903 5.800 355 HB3 ARG 45 2HB ARG 45 2.610 11.372 5.879 356 HG2 ARG 45 1HG ARG 45 2.923 11.907 8.419 357 HG3 ARG 45 2HG ARG 45 1.703 13.174 8.151 358 HD2 ARG 45 1HD ARG 45 0.126 11.452 7.326 359 HD3 ARG 45 2HD ARG 45 1.348 10.244 7.469 360 HE ARG 45 HE ARG 45 1.248 10.158 9.755 361 HH11 ARG 45 2HH2 ARG 45 -0.972 12.865 8.798 362 HH12 ARG 45 1HH2 ARG 45 -1.517 13.052 10.411 363 HH21 ARG 45 2HH1 ARG 45 0.229 10.274 11.738 364 HH22 ARG 45 1HH1 ARG 45 -0.952 11.528 12.043 365 H GLU 46 H GLU 46 5.124 12.509 8.399 366 HA GLU 46 HA GLU 46 7.031 10.600 7.172 367 HB2 GLU 46 1HB GLU 46 6.614 11.826 9.925 368 HB3 GLU 46 2HB GLU 46 7.568 10.352 9.721 369 HG2 GLU 46 1HG GLU 46 8.970 11.452 8.053 370 HG3 GLU 46 2HG GLU 46 8.107 12.977 8.326 371 H VAL 47 H VAL 47 6.853 8.332 7.334 372 HA VAL 47 HA VAL 47 4.893 7.074 8.860 373 HB VAL 47 HB VAL 47 6.364 6.655 6.256 374 HG11 VAL 47 1HG1 VAL 47 4.423 5.643 5.615 375 HG12 VAL 47 2HG1 VAL 47 5.503 4.915 6.805 376 HG13 VAL 47 3HG1 VAL 47 3.970 5.717 7.417 377 HG21 VAL 47 3HG2 VAL 47 4.007 8.483 6.447 378 HG22 VAL 47 1HG2 VAL 47 5.545 8.766 5.616 379 HG23 VAL 47 2HG2 VAL 47 4.432 7.648 4.958 380 H LYS 48 H LYS 48 5.735 4.740 8.716 381 HA LYS 48 HA LYS 48 8.576 4.224 9.367 382 HB2 LYS 48 1HB LYS 48 6.172 3.976 11.266 383 HB3 LYS 48 2HB LYS 48 7.460 2.911 11.392 384 HG2 LYS 48 1HG LYS 48 9.041 4.522 12.016 385 HG3 LYS 48 2HG LYS 48 8.031 5.846 11.389 386 HD2 LYS 48 1HD LYS 48 6.388 5.515 13.124 387 HD3 LYS 48 2HD LYS 48 7.220 4.126 13.774 388 HE2 LYS 48 1HE LYS 48 8.712 6.753 13.573 389 HE3 LYS 48 2HE LYS 48 7.452 6.608 14.787 390 HZ1 LYS 48 3HZ LYS 48 9.862 4.908 14.589 391 HZ2 LYS 48 1HZ LYS 48 9.484 5.976 15.780 392 HZ3 LYS 48 2HZ LYS 48 8.624 4.618 15.647 393 H LYS 49 H LYS 49 8.714 1.755 9.285 394 HA LYS 49 HA LYS 49 7.178 0.564 7.256 395 HB2 LYS 49 1HB LYS 49 8.550 -1.404 7.660 396 HB3 LYS 49 2HB LYS 49 9.523 0.018 7.887 397 HG2 LYS 49 1HG LYS 49 10.244 -1.196 9.681 398 HG3 LYS 49 2HG LYS 49 8.956 -0.270 10.446 399 HD2 LYS 49 1HD LYS 49 7.526 -2.093 10.619 400 HD3 LYS 49 2HD LYS 49 8.294 -3.009 9.323 401 HE2 LYS 49 1HE LYS 49 9.534 -2.407 12.029 402 HE3 LYS 49 2HE LYS 49 8.657 -3.892 11.674 403 HZ1 LYS 49 3HZ LYS 49 11.327 -3.392 11.238 404 HZ2 LYS 49 1HZ LYS 49 10.495 -4.720 10.677 405 HZ3 LYS 49 2HZ LYS 49 10.681 -3.380 9.747 406 H GLY 50 H GLY 50 5.664 1.332 9.578 407 HA2 GLY 50 1HA GLY 50 3.557 -0.238 9.027 408 HA3 GLY 50 2HA GLY 50 4.040 -0.771 10.671 409 H GLU 51 H GLU 51 2.793 1.966 8.733 410 HA GLU 51 HA GLU 51 1.920 3.184 11.203 411 HB2 GLU 51 1HB GLU 51 4.120 4.328 9.771 412 HB3 GLU 51 2HB GLU 51 2.764 5.301 9.398 413 HG2 GLU 51 1HG GLU 51 3.806 4.722 12.171 414 HG3 GLU 51 2HG GLU 51 4.004 6.198 11.254 415 H VAL 52 H VAL 52 0.052 4.369 10.818 416 HA VAL 52 HA VAL 52 -1.681 3.023 8.931 417 HB VAL 52 HB VAL 52 -1.983 4.798 11.360 418 HG11 VAL 52 1HG1 VAL 52 -4.401 3.921 11.397 419 HG12 VAL 52 2HG1 VAL 52 -3.985 5.364 10.490 420 HG13 VAL 52 3HG1 VAL 52 -4.189 3.826 9.623 421 HG21 VAL 52 3HG2 VAL 52 -1.132 2.740 12.043 422 HG22 VAL 52 1HG2 VAL 52 -2.860 2.662 12.350 423 HG23 VAL 52 2HG2 VAL 52 -2.184 1.839 10.936 424 H VAL 53 H VAL 53 0.029 4.880 7.668 425 HA VAL 53 HA VAL 53 -1.216 7.467 7.547 426 HB VAL 53 HB VAL 53 0.545 7.971 5.832 427 HG11 VAL 53 1HG1 VAL 53 1.393 8.242 8.046 428 HG12 VAL 53 2HG1 VAL 53 1.487 6.452 8.320 429 HG13 VAL 53 3HG1 VAL 53 2.557 7.229 7.236 430 HG21 VAL 53 3HG2 VAL 53 0.448 5.919 4.629 431 HG22 VAL 53 1HG2 VAL 53 2.114 6.214 5.164 432 HG23 VAL 53 2HG2 VAL 53 1.110 5.002 5.989 433 H ALA 54 H ALA 54 -2.568 4.724 6.315 434 HA ALA 54 HA ALA 54 -4.215 6.278 4.538 435 HB1 ALA 54 1HB ALA 54 -2.593 3.948 3.454 436 HB2 ALA 54 2HB ALA 54 -4.045 4.596 2.645 437 HB3 ALA 54 3HB ALA 54 -2.624 5.639 2.890 438 H SER 55 H SER 55 -5.474 5.770 6.455 439 HA SER 55 HA SER 55 -6.332 3.042 6.952 440 HB2 SER 55 1HB SER 55 -6.507 5.468 8.265 441 HB3 SER 55 2HB SER 55 -8.137 5.372 7.561 442 HG SER 55 HG SER 55 -6.953 3.568 9.395 443 H ILE 56 H ILE 56 -8.649 2.381 6.573 444 HA ILE 56 HA ILE 56 -9.838 3.565 4.119 445 HB ILE 56 HB ILE 56 -9.674 0.559 4.467 446 HG12 ILE 56 1HG1 ILE 56 -7.649 1.892 2.765 447 HG13 ILE 56 2HG1 ILE 56 -7.288 1.391 4.403 448 HG21 ILE 56 1HG2 ILE 56 -10.108 2.416 2.087 449 HG22 ILE 56 2HG2 ILE 56 -10.088 0.655 1.957 450 HG23 ILE 56 3HG2 ILE 56 -11.368 1.438 2.856 451 HD11 ILE 56 3HD1 ILE 56 -8.420 -0.643 2.465 452 HD12 ILE 56 1HD1 ILE 56 -6.695 -0.334 2.663 453 HD13 ILE 56 2HD1 ILE 56 -7.661 -0.870 4.050 454 H GLU 57 H GLU 57 -12.243 3.255 4.044 455 HA GLU 57 HA GLU 57 -13.357 1.864 6.398 456 HB2 GLU 57 1HB GLU 57 -13.544 4.807 6.030 457 HB3 GLU 57 2HB GLU 57 -15.114 4.022 5.955 458 HG2 GLU 57 1HG GLU 57 -13.949 2.757 8.049 459 HG3 GLU 57 2HG GLU 57 -13.499 4.437 8.307 460 H SER 58 H SER 58 -14.830 0.522 5.787 461 HA SER 58 HA SER 58 -15.767 0.623 2.952 462 HB2 SER 58 1HB SER 58 -14.234 -1.342 3.497 463 HB3 SER 58 2HB SER 58 -15.412 -1.736 4.781 464 HG SER 58 HG SER 58 -15.858 -3.038 3.139 465 H VAL 59 H VAL 59 -17.828 -1.177 3.067 466 HA VAL 59 HA VAL 59 -20.113 0.224 3.935 467 HB VAL 59 HB VAL 59 -21.130 -2.170 3.960 468 HG11 VAL 59 1HG1 VAL 59 -21.583 -0.767 2.131 469 HG12 VAL 59 2HG1 VAL 59 -19.949 -0.903 1.483 470 HG13 VAL 59 3HG1 VAL 59 -21.044 -2.303 1.445 471 HG21 VAL 59 3HG2 VAL 59 -19.971 -3.956 2.961 472 HG22 VAL 59 1HG2 VAL 59 -18.537 -2.973 2.620 473 HG23 VAL 59 2HG2 VAL 59 -18.953 -3.402 4.281 474 H LYS 60 H LYS 60 -18.039 -1.994 5.714 475 HA LYS 60 HA LYS 60 -18.791 -0.920 8.246 476 HB2 LYS 60 1HB LYS 60 -19.713 -3.099 9.196 477 HB3 LYS 60 2HB LYS 60 -20.775 -2.264 8.077 478 HG2 LYS 60 1HG LYS 60 -20.129 -3.801 6.248 479 HG3 LYS 60 2HG LYS 60 -19.008 -4.641 7.335 480 HD2 LYS 60 1HD LYS 60 -20.856 -5.379 8.734 481 HD3 LYS 60 2HD LYS 60 -21.984 -4.323 7.855 482 HE2 LYS 60 1HE LYS 60 -21.648 -5.573 5.789 483 HE3 LYS 60 2HE LYS 60 -20.449 -6.619 6.575 484 HZ1 LYS 60 3HZ LYS 60 -22.663 -7.598 6.491 485 HZ2 LYS 60 1HZ LYS 60 -22.106 -7.425 8.026 486 HZ3 LYS 60 2HZ LYS 60 -23.255 -6.365 7.441 487 H ALA 61 H ALA 61 -16.322 -1.790 6.478 488 HA ALA 61 HA ALA 61 -14.939 -3.312 8.652 489 HB1 ALA 61 1HB ALA 61 -15.063 -4.396 6.340 490 HB2 ALA 61 2HB ALA 61 -14.058 -3.017 5.768 491 HB3 ALA 61 3HB ALA 61 -13.446 -4.090 7.025 492 H ALA 62 H ALA 62 -12.821 -2.612 9.202 493 HA ALA 62 HA ALA 62 -11.754 -0.182 8.011 494 HB1 ALA 62 1HB ALA 62 -13.028 0.861 9.666 495 HB2 ALA 62 2HB ALA 62 -12.598 -0.354 10.896 496 HB3 ALA 62 3HB ALA 62 -11.370 0.777 10.292 497 H ALA 63 H ALA 63 -9.675 -0.459 7.897 498 HA ALA 63 HA ALA 63 -7.907 -2.370 9.232 499 HB1 ALA 63 1HB ALA 63 -9.143 -3.598 7.347 500 HB2 ALA 63 2HB ALA 63 -8.545 -2.357 6.213 501 HB3 ALA 63 3HB ALA 63 -7.398 -3.383 7.041 502 H ASP 64 H ASP 64 -6.300 -0.834 9.666 503 HA ASP 64 HA ASP 64 -5.791 1.494 8.072 504 HB2 ASP 64 1HB ASP 64 -4.044 0.039 10.104 505 HB3 ASP 64 2HB ASP 64 -3.803 1.690 9.508 506 H VAL 65 H VAL 65 -4.397 1.675 6.224 507 HA VAL 65 HA VAL 65 -2.949 -0.751 5.358 508 HB VAL 65 HB VAL 65 -2.969 2.090 4.343 509 HG11 VAL 65 1HG1 VAL 65 -0.853 0.897 3.782 510 HG12 VAL 65 2HG1 VAL 65 -1.848 -0.231 2.826 511 HG13 VAL 65 3HG1 VAL 65 -1.803 1.499 2.428 512 HG21 VAL 65 3HG2 VAL 65 -4.245 -0.494 3.313 513 HG22 VAL 65 1HG2 VAL 65 -5.125 0.858 4.008 514 HG23 VAL 65 2HG2 VAL 65 -4.327 1.075 2.455 515 H TYR 66 H TYR 66 -0.887 -1.132 6.192 516 HA TYR 66 HA TYR 66 0.192 1.032 7.924 517 HB2 TYR 66 1HB TYR 66 0.773 -1.945 8.047 518 HB3 TYR 66 2HB TYR 66 1.436 -0.725 9.100 519 HD1 TYR 66 2HD TYR 66 -0.049 0.400 10.819 520 HD2 TYR 66 1HD TYR 66 -1.383 -2.833 8.322 521 HE1 TYR 66 2HE TYR 66 -1.655 -0.249 12.554 522 HE2 TYR 66 1HE TYR 66 -2.982 -3.529 9.999 523 HH TYR 66 HH TYR 66 -3.594 -1.580 12.950 524 H ALA 67 H ALA 67 1.523 2.104 6.726 525 HA ALA 67 HA ALA 67 2.626 1.652 4.373 526 HB1 ALA 67 1HB ALA 67 2.950 3.699 5.586 527 HB2 ALA 67 2HB ALA 67 4.103 2.955 6.703 528 HB3 ALA 67 3HB ALA 67 4.557 3.157 5.033 529 HA PRO 68 HA PRO 68 4.982 -1.954 4.749 530 HB2 PRO 68 1HB PRO 68 6.488 -1.919 2.418 531 HB3 PRO 68 2HB PRO 68 4.716 -2.180 2.463 532 HG2 PRO 68 1HG PRO 68 6.187 0.443 1.978 533 HG3 PRO 68 2HG PRO 68 4.839 -0.255 1.014 534 HD2 PRO 68 1HD PRO 68 4.295 1.575 2.842 535 HD3 PRO 68 2HD PRO 68 3.259 0.107 2.713 536 H LEU 69 H LEU 69 6.743 1.054 4.493 537 HA LEU 69 HA LEU 69 9.290 -0.107 5.489 538 HB2 LEU 69 1HB LEU 69 8.732 1.420 2.930 539 HB3 LEU 69 2HB LEU 69 10.342 1.334 3.635 540 HG LEU 69 HG LEU 69 8.804 -1.192 3.001 541 HD11 LEU 69 1HD1 LEU 69 10.310 0.467 0.993 542 HD12 LEU 69 2HD1 LEU 69 9.729 -1.214 0.738 543 HD13 LEU 69 3HD1 LEU 69 8.593 0.117 1.016 544 HD21 LEU 69 3HD2 LEU 69 11.774 -0.606 2.777 545 HD22 LEU 69 1HD2 LEU 69 10.988 -1.209 4.261 546 HD23 LEU 69 2HD2 LEU 69 10.978 -2.189 2.793 547 H SER 70 H SER 70 10.618 1.600 6.446 548 HA SER 70 HA SER 70 9.061 3.886 7.347 549 HB2 SER 70 1HB SER 70 12.015 3.391 7.667 550 HB3 SER 70 2HB SER 70 10.949 4.410 8.670 551 HG SER 70 HG SER 70 11.345 1.665 8.628 552 H GLY 71 H GLY 71 8.988 5.933 6.477 553 HA2 GLY 71 1HA GLY 71 10.790 6.999 4.580 554 HA3 GLY 71 2HA GLY 71 9.494 6.147 3.725 555 H LYS 72 H LYS 72 9.289 8.476 2.968 556 HA LYS 72 HA LYS 72 7.445 10.005 4.790 557 HB2 LYS 72 1HB LYS 72 9.867 10.861 4.288 558 HB3 LYS 72 2HB LYS 72 9.266 11.214 2.709 559 HG2 LYS 72 1HG LYS 72 7.375 12.570 3.831 560 HG3 LYS 72 2HG LYS 72 8.272 12.348 5.335 561 HD2 LYS 72 1HD LYS 72 8.867 14.460 4.586 562 HD3 LYS 72 2HD LYS 72 10.267 13.493 4.171 563 HE2 LYS 72 1HE LYS 72 8.009 14.128 2.195 564 HE3 LYS 72 2HE LYS 72 9.349 15.229 2.475 565 HZ1 LYS 72 3HZ LYS 72 10.870 13.424 1.769 566 HZ2 LYS 72 1HZ LYS 72 9.597 12.499 1.409 567 HZ3 LYS 72 2HZ LYS 72 9.828 13.894 0.587 568 H ILE 73 H ILE 73 5.485 10.601 3.826 569 HA ILE 73 HA ILE 73 4.797 9.609 1.193 570 HB ILE 73 HB ILE 73 3.571 11.903 2.706 571 HG12 ILE 73 1HG1 ILE 73 3.640 9.971 4.235 572 HG13 ILE 73 2HG1 ILE 73 2.042 10.435 3.779 573 HG21 ILE 73 1HG2 ILE 73 2.743 11.744 0.395 574 HG22 ILE 73 2HG2 ILE 73 2.406 10.016 0.594 575 HG23 ILE 73 3HG2 ILE 73 1.486 11.255 1.486 576 HD11 ILE 73 3HD1 ILE 73 1.912 8.546 2.194 577 HD12 ILE 73 1HD1 ILE 73 3.560 8.078 2.630 578 HD13 ILE 73 2HD1 ILE 73 2.248 8.016 3.834 579 H VAL 74 H VAL 74 4.750 10.746 -0.740 580 HA VAL 74 HA VAL 74 5.228 13.617 -0.725 581 HB VAL 74 HB VAL 74 6.816 13.411 -2.700 582 HG11 VAL 74 1HG1 VAL 74 7.988 12.179 -0.187 583 HG12 VAL 74 2HG1 VAL 74 8.822 13.125 -1.430 584 HG13 VAL 74 3HG1 VAL 74 7.614 13.914 -0.390 585 HG21 VAL 74 3HG2 VAL 74 8.069 11.362 -3.076 586 HG22 VAL 74 1HG2 VAL 74 7.204 10.518 -1.782 587 HG23 VAL 74 2HG2 VAL 74 6.352 11.010 -3.263 588 H GLU 75 H GLU 75 3.429 10.895 -1.934 589 HA GLU 75 HA GLU 75 1.922 12.860 -3.501 590 HB2 GLU 75 1HB GLU 75 3.720 11.238 -4.795 591 HB3 GLU 75 2HB GLU 75 2.283 10.206 -4.826 592 HG2 GLU 75 1HG GLU 75 1.034 11.955 -5.994 593 HG3 GLU 75 2HG GLU 75 2.419 13.063 -5.858 594 H VAL 76 H VAL 76 -0.312 12.070 -3.786 595 HA VAL 76 HA VAL 76 -1.048 9.636 -2.289 596 HB VAL 76 HB VAL 76 -2.825 10.676 -1.188 597 HG11 VAL 76 1HG1 VAL 76 -0.444 12.536 -0.689 598 HG12 VAL 76 2HG1 VAL 76 -1.769 12.161 0.407 599 HG13 VAL 76 3HG1 VAL 76 -0.620 10.898 -0.031 600 HG21 VAL 76 3HG2 VAL 76 -2.344 13.516 -1.759 601 HG22 VAL 76 1HG2 VAL 76 -2.846 12.604 -3.187 602 HG23 VAL 76 2HG2 VAL 76 -3.851 12.572 -1.747 603 H ASN 77 H ASN 77 -3.287 8.884 -3.015 604 HA ASN 77 HA ASN 77 -3.689 9.602 -5.866 605 HB2 ASN 77 1HB ASN 77 -3.096 7.232 -5.327 606 HB3 ASN 77 2HB ASN 77 -4.573 7.079 -4.421 607 HD21 ASN 77 1HD2 ASN 77 -5.216 5.409 -5.991 608 HD22 ASN 77 2HD2 ASN 77 -5.790 5.798 -7.579 609 H GLU 78 H GLU 78 -5.028 11.548 -5.309 610 HA GLU 78 HA GLU 78 -7.462 11.260 -3.903 611 HB2 GLU 78 1HB GLU 78 -6.611 13.196 -6.093 612 HB3 GLU 78 2HB GLU 78 -8.092 13.316 -5.190 613 HG2 GLU 78 1HG GLU 78 -6.834 13.540 -3.059 614 HG3 GLU 78 2HG GLU 78 -5.325 13.532 -3.979 615 H LYS 79 H LYS 79 -6.750 9.432 -6.573 616 HA LYS 79 HA LYS 79 -9.302 9.656 -7.957 617 HB2 LYS 79 1HB LYS 79 -7.301 7.394 -7.836 618 HB3 LYS 79 2HB LYS 79 -8.770 7.400 -8.760 619 HG2 LYS 79 1HG LYS 79 -8.039 9.090 -10.256 620 HG3 LYS 79 2HG LYS 79 -6.837 9.666 -9.122 621 HD2 LYS 79 1HD LYS 79 -5.421 8.703 -10.586 622 HD3 LYS 79 2HD LYS 79 -5.660 7.364 -9.486 623 HE2 LYS 79 1HE LYS 79 -5.765 6.393 -11.560 624 HE3 LYS 79 2HE LYS 79 -7.441 6.458 -11.023 625 HZ1 LYS 79 3HZ LYS 79 -7.939 8.033 -12.546 626 HZ2 LYS 79 1HZ LYS 79 -6.388 8.571 -12.765 627 HZ3 LYS 79 2HZ LYS 79 -6.872 7.081 -13.345 628 H LEU 80 H LEU 80 -7.952 7.747 -5.063 629 HA LEU 80 HA LEU 80 -10.187 6.151 -4.705 630 HB2 LEU 80 1HB LEU 80 -8.206 7.396 -2.773 631 HB3 LEU 80 2HB LEU 80 -9.298 6.088 -2.371 632 HG LEU 80 HG LEU 80 -6.911 5.894 -4.315 633 HD11 LEU 80 1HD1 LEU 80 -6.153 4.379 -2.654 634 HD12 LEU 80 2HD1 LEU 80 -6.244 6.128 -2.299 635 HD13 LEU 80 3HD1 LEU 80 -7.430 5.005 -1.564 636 HD21 LEU 80 3HD2 LEU 80 -9.102 3.889 -3.611 637 HD22 LEU 80 1HD2 LEU 80 -8.682 4.460 -5.223 638 HD23 LEU 80 2HD2 LEU 80 -7.526 3.454 -4.346 639 H ASP 81 H ASP 81 -10.025 9.558 -4.327 640 HA ASP 81 HA ASP 81 -11.880 10.117 -2.270 641 HB2 ASP 81 1HB ASP 81 -10.238 11.608 -3.588 642 HB3 ASP 81 2HB ASP 81 -11.462 11.659 -4.858 643 H THR 82 H THR 82 -12.296 9.270 -5.714 644 HA THR 82 HA THR 82 -15.206 8.982 -5.276 645 HB THR 82 HB THR 82 -15.784 9.984 -7.274 646 HG1 THR 82 1HG THR 82 -14.512 9.422 -8.771 647 HG21 THR 82 3HG2 THR 82 -15.172 11.659 -5.558 648 HG22 THR 82 1HG2 THR 82 -13.540 11.752 -6.232 649 HG23 THR 82 2HG2 THR 82 -14.936 12.250 -7.216 650 H GLU 83 H GLU 83 -12.334 7.488 -6.227 651 HA GLU 83 HA GLU 83 -13.849 5.168 -7.262 652 HB2 GLU 83 1HB GLU 83 -11.128 6.379 -7.890 653 HB3 GLU 83 2HB GLU 83 -11.395 4.724 -8.285 654 HG2 GLU 83 1HG GLU 83 -13.118 6.939 -9.402 655 HG3 GLU 83 2HG GLU 83 -11.661 6.253 -10.156 656 HA PRO 84 HA PRO 84 -11.747 3.847 -3.343 657 HB2 PRO 84 1HB PRO 84 -13.921 3.382 -1.771 658 HB3 PRO 84 2HB PRO 84 -13.121 4.996 -1.857 659 HG2 PRO 84 1HG PRO 84 -15.668 4.051 -3.121 660 HG3 PRO 84 2HG PRO 84 -15.251 5.693 -2.524 661 HD2 PRO 84 1HD PRO 84 -15.172 4.882 -5.207 662 HD3 PRO 84 2HD PRO 84 -14.327 6.292 -4.534 663 H GLU 85 H GLU 85 -14.371 2.822 -5.481 664 HA GLU 85 HA GLU 85 -14.200 0.055 -4.642 665 HB2 GLU 85 1HB GLU 85 -15.508 -0.499 -6.592 666 HB3 GLU 85 2HB GLU 85 -16.249 0.770 -5.668 667 HG2 GLU 85 1HG GLU 85 -15.744 2.417 -7.332 668 HG3 GLU 85 2HG GLU 85 -14.581 1.345 -8.146 669 H LEU 86 H LEU 86 -12.070 2.122 -6.615 670 HA LEU 86 HA LEU 86 -11.400 0.289 -8.496 671 HB2 LEU 86 1HB LEU 86 -10.833 2.850 -7.963 672 HB3 LEU 86 2HB LEU 86 -9.321 2.175 -7.394 673 HG LEU 86 HG LEU 86 -8.855 2.785 -9.565 674 HD11 LEU 86 1HD1 LEU 86 -8.246 0.457 -9.283 675 HD12 LEU 86 2HD1 LEU 86 -9.859 -0.041 -9.775 676 HD13 LEU 86 3HD1 LEU 86 -8.773 0.714 -10.971 677 HD21 LEU 86 3HD2 LEU 86 -10.993 3.506 -10.330 678 HD22 LEU 86 1HD2 LEU 86 -10.267 2.463 -11.546 679 HD23 LEU 86 2HD2 LEU 86 -11.578 1.848 -10.492 680 H ILE 87 H ILE 87 -10.412 0.415 -5.116 681 HA ILE 87 HA ILE 87 -8.122 -1.313 -5.331 682 HB ILE 87 HB ILE 87 -10.043 -0.844 -3.042 683 HG12 ILE 87 1HG1 ILE 87 -7.404 0.424 -2.779 684 HG13 ILE 87 2HG1 ILE 87 -8.222 1.011 -4.205 685 HG21 ILE 87 1HG2 ILE 87 -8.756 -2.821 -2.569 686 HG22 ILE 87 2HG2 ILE 87 -7.247 -1.995 -3.047 687 HG23 ILE 87 3HG2 ILE 87 -8.166 -1.485 -1.599 688 HD11 ILE 87 3HD1 ILE 87 -9.665 0.898 -1.522 689 HD12 ILE 87 1HD1 ILE 87 -8.663 2.274 -2.054 690 HD13 ILE 87 2HD1 ILE 87 -10.086 1.815 -2.981 691 H ASN 88 H ASN 88 -11.572 -2.002 -5.796 692 HA ASN 88 HA ASN 88 -11.175 -4.927 -5.618 693 HB2 ASN 88 1HB ASN 88 -13.247 -3.141 -6.955 694 HB3 ASN 88 2HB ASN 88 -13.176 -4.842 -7.215 695 HD21 ASN 88 1HD2 ASN 88 -13.367 -2.628 -4.426 696 HD22 ASN 88 2HD2 ASN 88 -14.424 -3.624 -3.449 697 H LYS 89 H LYS 89 -11.477 -2.410 -8.071 698 HA LYS 89 HA LYS 89 -11.627 -4.148 -10.244 699 HB2 LYS 89 1HB LYS 89 -12.161 -1.481 -9.727 700 HB3 LYS 89 2HB LYS 89 -10.842 -1.403 -10.888 701 HG2 LYS 89 1HG LYS 89 -13.271 -3.134 -11.334 702 HG3 LYS 89 2HG LYS 89 -13.232 -1.441 -11.749 703 HD2 LYS 89 1HD LYS 89 -11.219 -3.471 -12.790 704 HD3 LYS 89 2HD LYS 89 -12.675 -2.967 -13.659 705 HE2 LYS 89 1HE LYS 89 -11.898 -0.825 -14.077 706 HE3 LYS 89 2HE LYS 89 -10.795 -0.796 -12.711 707 HZ1 LYS 89 3HZ LYS 89 -10.368 -2.431 -15.113 708 HZ2 LYS 89 1HZ LYS 89 -9.645 -0.971 -14.813 709 HZ3 LYS 89 2HZ LYS 89 -9.308 -2.277 -13.873 710 H ASP 90 H ASP 90 -8.953 -2.033 -9.186 711 HA ASP 90 HA ASP 90 -6.936 -3.787 -10.348 712 HB2 ASP 90 1HB ASP 90 -7.629 -1.123 -11.563 713 HB3 ASP 90 2HB ASP 90 -5.921 -1.423 -11.297 714 HA PRO 91 HA PRO 91 -6.280 -1.795 -6.145 715 HB2 PRO 91 1HB PRO 91 -5.113 -4.135 -5.106 716 HB3 PRO 91 2HB PRO 91 -6.761 -3.624 -4.834 717 HG2 PRO 91 1HG PRO 91 -5.657 -5.637 -6.761 718 HG3 PRO 91 2HG PRO 91 -7.256 -5.657 -5.953 719 HD2 PRO 91 1HD PRO 91 -6.896 -4.986 -8.586 720 HD3 PRO 91 2HD PRO 91 -8.194 -4.266 -7.606 721 H GLU 92 H GLU 92 -4.380 -3.662 -8.414 722 HA GLU 92 HA GLU 92 -1.914 -2.458 -7.389 723 HB2 GLU 92 1HB GLU 92 -1.343 -4.896 -8.727 724 HB3 GLU 92 2HB GLU 92 -0.909 -4.311 -7.158 725 HG2 GLU 92 1HG GLU 92 -3.241 -5.159 -6.327 726 HG3 GLU 92 2HG GLU 92 -3.338 -6.011 -7.852 727 H GLY 93 H GLY 93 -3.767 -1.297 -9.128 728 HA2 GLY 93 1HA GLY 93 -1.802 -0.456 -11.142 729 HA3 GLY 93 2HA GLY 93 -3.432 -0.862 -11.714 730 H GLU 94 H GLU 94 -4.959 0.729 -11.597 731 HA GLU 94 HA GLU 94 -4.191 3.367 -10.693 732 HB2 GLU 94 1HB GLU 94 -6.697 2.238 -11.946 733 HB3 GLU 94 2HB GLU 94 -6.570 3.925 -11.456 734 HG2 GLU 94 1HG GLU 94 -4.234 3.165 -12.992 735 HG3 GLU 94 2HG GLU 94 -5.710 2.830 -13.896 736 H GLY 95 H GLY 95 -5.554 0.769 -8.924 737 HA2 GLY 95 1HA GLY 95 -6.958 2.499 -6.994 738 HA3 GLY 95 2HA GLY 95 -6.853 0.749 -7.009 739 H TRP 96 H TRP 96 -3.887 2.593 -7.403 740 HA TRP 96 HA TRP 96 -2.659 1.728 -4.935 741 HB2 TRP 96 1HB TRP 96 -0.937 3.308 -5.480 742 HB3 TRP 96 2HB TRP 96 -1.344 2.389 -6.917 743 HD1 TRP 96 HD TRP 96 -3.041 3.765 -8.690 744 HE1 TRP 96 1HE TRP 96 -2.874 6.169 -9.496 745 HE3 TRP 96 3HE TRP 96 -0.419 5.811 -4.755 746 HZ2 TRP 96 2HZ TRP 96 -1.856 8.660 -8.565 747 HZ3 TRP 96 3HZ TRP 96 -0.151 8.354 -4.683 748 HH2 TRP 96 HH TRP 96 -0.707 9.685 -6.648 749 H LEU 97 H LEU 97 -1.890 3.462 -3.294 750 HA LEU 97 HA LEU 97 -4.202 5.285 -2.722 751 HB2 LEU 97 1HB LEU 97 -2.342 4.063 -0.691 752 HB3 LEU 97 2HB LEU 97 -3.878 4.944 -0.456 753 HG LEU 97 HG LEU 97 -4.236 2.467 -1.999 754 HD11 LEU 97 1HD1 LEU 97 -2.219 1.885 -0.482 755 HD12 LEU 97 2HD1 LEU 97 -3.225 2.272 0.885 756 HD13 LEU 97 3HD1 LEU 97 -3.678 0.906 -0.166 757 HD21 LEU 97 3HD2 LEU 97 -5.771 4.004 -0.312 758 HD22 LEU 97 1HD2 LEU 97 -6.186 2.384 -0.905 759 HD23 LEU 97 2HD2 LEU 97 -5.448 2.616 0.705 760 H PHE 98 H PHE 98 -0.618 4.909 -2.087 761 HA PHE 98 HA PHE 98 -0.351 7.764 -2.490 762 HB2 PHE 98 1HB PHE 98 0.547 8.279 -0.307 763 HB3 PHE 98 2HB PHE 98 -1.063 7.638 -0.107 764 HD1 PHE 98 2HD PHE 98 2.551 7.004 0.380 765 HD2 PHE 98 1HD PHE 98 -1.426 5.484 1.024 766 HE1 PHE 98 2HE PHE 98 3.396 5.521 2.166 767 HE2 PHE 98 1HE PHE 98 -0.530 3.918 2.751 768 HZ PHE 98 HZ PHE 98 1.864 3.940 3.320 769 H LYS 99 H LYS 99 2.006 8.406 -2.111 770 HA LYS 99 HA LYS 99 3.812 6.158 -2.758 771 HB2 LYS 99 1HB LYS 99 3.871 8.851 -4.168 772 HB3 LYS 99 2HB LYS 99 4.958 7.516 -4.390 773 HG2 LYS 99 1HG LYS 99 2.541 6.270 -4.844 774 HG3 LYS 99 2HG LYS 99 2.200 7.889 -5.441 775 HD2 LYS 99 1HD LYS 99 4.588 6.203 -6.308 776 HD3 LYS 99 2HD LYS 99 2.993 6.168 -7.088 777 HE2 LYS 99 1HE LYS 99 3.281 8.743 -7.305 778 HE3 LYS 99 2HE LYS 99 5.002 8.418 -6.998 779 HZ1 LYS 99 3HZ LYS 99 5.058 7.007 -8.874 780 HZ2 LYS 99 1HZ LYS 99 3.413 7.140 -9.111 781 HZ3 LYS 99 2HZ LYS 99 4.407 8.447 -9.331 782 H MET 100 H MET 100 5.842 6.351 -1.903 783 HA MET 100 HA MET 100 6.320 8.617 -0.073 784 HB2 MET 100 1HB MET 100 7.021 6.818 1.625 785 HB3 MET 100 2HB MET 100 5.309 7.202 1.470 786 HG2 MET 100 1HG MET 100 4.848 5.249 0.203 787 HG3 MET 100 2HG MET 100 6.513 4.840 -0.013 788 HE1 MET 100 3HE MET 100 6.481 4.474 4.379 789 HE2 MET 100 1HE MET 100 7.582 5.182 3.182 790 HE3 MET 100 2HE MET 100 6.064 6.018 3.618 791 H GLU 101 H GLU 101 8.480 8.959 0.483 792 HA GLU 101 HA GLU 101 10.483 8.174 -1.443 793 HB2 GLU 101 1HB GLU 101 10.300 10.444 -0.560 794 HB3 GLU 101 2HB GLU 101 10.319 9.836 1.100 795 HG2 GLU 101 1HG GLU 101 12.693 9.108 0.789 796 HG3 GLU 101 2HG GLU 101 12.606 9.654 -0.889 797 H ILE 102 H ILE 102 11.795 6.452 -1.126 798 HA ILE 102 HA ILE 102 11.563 4.886 1.334 799 HB ILE 102 HB ILE 102 13.080 3.334 0.170 800 HG12 ILE 102 1HG1 ILE 102 12.312 4.708 -2.408 801 HG13 ILE 102 2HG1 ILE 102 13.879 5.058 -1.672 802 HG21 ILE 102 1HG2 ILE 102 10.627 3.081 0.311 803 HG22 ILE 102 2HG2 ILE 102 10.426 4.052 -1.168 804 HG23 ILE 102 3HG2 ILE 102 11.208 2.469 -1.234 805 HD11 ILE 102 3HD1 ILE 102 14.110 3.371 -3.400 806 HD12 ILE 102 1HD1 ILE 102 14.514 2.735 -1.800 807 HD13 ILE 102 2HD1 ILE 102 12.976 2.299 -2.559 808 H SER 103 H SER 103 12.547 5.943 2.915 809 HA SER 103 HA SER 103 15.188 7.187 2.584 810 HB2 SER 103 1HB SER 103 13.312 6.674 4.905 811 HB3 SER 103 2HB SER 103 14.994 7.123 5.190 812 HG SER 103 HG SER 103 14.552 8.904 3.654 813 H ASP 104 H ASP 104 14.046 3.923 3.006 814 HA ASP 104 HA ASP 104 16.789 3.086 3.838 815 HB2 ASP 104 1HB ASP 104 14.235 1.998 5.061 816 HB3 ASP 104 2HB ASP 104 15.900 1.608 5.489 817 H GLU 105 H GLU 105 16.914 2.753 1.459 818 HA GLU 105 HA GLU 105 15.133 0.861 0.264 819 HB2 GLU 105 1HB GLU 105 16.083 1.275 -1.636 820 HB3 GLU 105 2HB GLU 105 16.980 2.524 -0.805 821 HG2 GLU 105 1HG GLU 105 18.921 0.964 -0.587 822 HG3 GLU 105 2HG GLU 105 17.965 -0.316 -1.353 823 H GLY 106 H GLY 106 17.564 0.422 2.524 824 HA2 GLY 106 1HA GLY 106 18.212 -2.341 1.832 825 HA3 GLY 106 2HA GLY 106 18.761 -1.432 3.265 826 H GLU 107 H GLU 107 15.380 -1.122 3.079 827 HA GLU 107 HA GLU 107 14.989 -3.384 4.989 828 HB2 GLU 107 1HB GLU 107 13.381 -0.887 4.351 829 HB3 GLU 107 2HB GLU 107 12.718 -2.276 5.222 830 HG2 GLU 107 1HG GLU 107 14.807 -1.949 6.768 831 HG3 GLU 107 2HG GLU 107 14.737 -0.288 6.179 832 H LEU 108 H LEU 108 13.930 -2.335 1.664 833 HA LEU 108 HA LEU 108 11.636 -3.880 1.604 834 HB2 LEU 108 1HB LEU 108 12.393 -3.955 -1.014 835 HB3 LEU 108 2HB LEU 108 11.440 -2.771 -0.161 836 HG LEU 108 HG LEU 108 14.361 -2.377 -0.273 837 HD11 LEU 108 1HD1 LEU 108 14.060 -1.004 -2.350 838 HD12 LEU 108 2HD1 LEU 108 13.994 -2.735 -2.562 839 HD13 LEU 108 3HD1 LEU 108 12.470 -1.825 -2.576 840 HD21 LEU 108 3HD2 LEU 108 11.910 -0.664 0.045 841 HD22 LEU 108 1HD2 LEU 108 13.333 -0.739 1.075 842 HD23 LEU 108 2HD2 LEU 108 13.398 0.086 -0.495 843 H GLU 109 H GLU 109 14.887 -4.743 1.000 844 HA GLU 109 HA GLU 109 14.604 -7.437 0.026 845 HB2 GLU 109 1HB GLU 109 16.749 -5.947 1.579 846 HB3 GLU 109 2HB GLU 109 16.901 -7.666 1.254 847 HG2 GLU 109 1HG GLU 109 16.613 -5.516 -0.864 848 HG3 GLU 109 2HG GLU 109 18.096 -6.401 -0.437 849 H ASP 110 H ASP 110 14.134 -6.115 3.281 850 HA ASP 110 HA ASP 110 14.278 -8.742 4.508 851 HB2 ASP 110 1HB ASP 110 13.258 -6.179 5.773 852 HB3 ASP 110 2HB ASP 110 13.804 -7.636 6.588 853 H LEU 111 H LEU 111 11.898 -6.933 2.872 854 HA LEU 111 HA LEU 111 9.490 -7.985 4.298 855 HB2 LEU 111 1HB LEU 111 9.562 -6.658 1.608 856 HB3 LEU 111 2HB LEU 111 8.249 -6.790 2.783 857 HG LEU 111 HG LEU 111 10.630 -4.978 3.093 858 HD11 LEU 111 1HD1 LEU 111 9.214 -4.274 1.270 859 HD12 LEU 111 2HD1 LEU 111 7.738 -4.564 2.217 860 HD13 LEU 111 3HD1 LEU 111 8.830 -3.258 2.667 861 HD21 LEU 111 3HD2 LEU 111 9.354 -3.963 4.934 862 HD22 LEU 111 1HD2 LEU 111 8.124 -5.228 4.806 863 HD23 LEU 111 2HD2 LEU 111 9.791 -5.633 5.287 864 H LEU 112 H LEU 112 7.854 -8.710 2.317 865 HA LEU 112 HA LEU 112 8.835 -11.434 1.881 866 HB2 LEU 112 1HB LEU 112 6.219 -10.032 1.261 867 HB3 LEU 112 2HB LEU 112 6.504 -11.733 0.977 868 HG LEU 112 HG LEU 112 6.976 -10.614 3.761 869 HD11 LEU 112 1HD1 LEU 112 4.754 -10.839 4.402 870 HD12 LEU 112 2HD1 LEU 112 4.837 -9.770 3.002 871 HD13 LEU 112 3HD1 LEU 112 4.244 -11.437 2.790 872 HD21 LEU 112 3HD2 LEU 112 6.027 -12.970 4.289 873 HD22 LEU 112 1HD2 LEU 112 6.267 -13.325 2.584 874 HD23 LEU 112 2HD2 LEU 112 7.649 -12.833 3.609 875 H ASP 113 H ASP 113 9.802 -12.033 0.069 876 HA ASP 113 HA ASP 113 9.898 -10.725 -2.470 877 HB2 ASP 113 1HB ASP 113 10.063 -13.622 -1.638 878 HB3 ASP 113 2HB ASP 113 10.061 -13.188 -3.313 879 H GLU 114 H GLU 114 8.847 -11.760 -4.361 880 HA GLU 114 HA GLU 114 5.995 -11.220 -4.281 881 HB2 GLU 114 1HB GLU 114 7.430 -10.586 -6.168 882 HB3 GLU 114 2HB GLU 114 7.806 -12.287 -6.492 883 HG2 GLU 114 1HG GLU 114 5.500 -12.743 -7.090 884 HG3 GLU 114 2HG GLU 114 4.967 -11.153 -6.541 885 H GLN 115 H GLN 115 7.921 -14.229 -4.810 886 HA GLN 115 HA GLN 115 5.779 -16.057 -4.850 887 HB2 GLN 115 1HB GLN 115 7.969 -16.538 -5.737 888 HB3 GLN 115 2HB GLN 115 8.771 -16.066 -4.236 889 HG2 GLN 115 1HG GLN 115 7.742 -17.950 -3.075 890 HG3 GLN 115 2HG GLN 115 6.947 -18.451 -4.578 891 HE21 GLN 115 1HE2 GLN 115 8.655 -20.228 -3.144 892 HE22 GLN 115 2HE2 GLN 115 10.118 -20.471 -4.059 893 H ALA 116 H ALA 116 7.958 -14.775 -2.250 894 HA ALA 116 HA ALA 116 6.883 -16.543 -0.255 895 HB1 ALA 116 1HB ALA 116 9.172 -15.446 -0.165 896 HB2 ALA 116 2HB ALA 116 8.350 -13.919 0.225 897 HB3 ALA 116 3HB ALA 116 8.220 -15.310 1.322 898 H TYR 117 H TYR 117 5.955 -13.287 -1.308 899 HA TYR 117 HA TYR 117 4.139 -12.692 0.796 900 HB2 TYR 117 1HB TYR 117 4.717 -10.959 -0.576 901 HB3 TYR 117 2HB TYR 117 4.602 -11.889 -2.059 902 HD1 TYR 117 2HD TYR 117 2.269 -10.674 0.668 903 HD2 TYR 117 1HD TYR 117 2.912 -11.554 -3.516 904 HE1 TYR 117 2HE TYR 117 -0.122 -10.292 0.212 905 HE2 TYR 117 1HE TYR 117 0.569 -11.199 -3.988 906 HH TYR 117 HH TYR 117 -1.679 -11.584 -1.626 907 H GLN 118 H GLN 118 3.717 -14.474 -2.295 908 HA GLN 118 HA GLN 118 0.967 -15.081 -2.021 909 HB2 GLN 118 1HB GLN 118 1.391 -15.984 -3.988 910 HB3 GLN 118 2HB GLN 118 3.118 -15.771 -3.778 911 HG2 GLN 118 1HG GLN 118 3.344 -18.006 -2.798 912 HG3 GLN 118 2HG GLN 118 1.579 -18.212 -2.820 913 HE21 GLN 118 1HE2 GLN 118 1.269 -19.849 -4.235 914 HE22 GLN 118 2HE2 GLN 118 1.755 -19.844 -5.899 915 H GLU 119 H GLU 119 3.900 -16.725 -0.737 916 HA GLU 119 HA GLU 119 2.612 -18.924 0.365 917 HB2 GLU 119 1HB GLU 119 5.186 -18.136 0.222 918 HB3 GLU 119 2HB GLU 119 4.897 -17.644 1.883 919 HG2 GLU 119 1HG GLU 119 4.802 -20.387 0.652 920 HG3 GLU 119 2HG GLU 119 5.828 -19.806 1.964 921 H PHE 120 H PHE 120 3.117 -15.679 1.833 922 HA PHE 120 HA PHE 120 1.875 -16.440 4.336 923 HB2 PHE 120 1HB PHE 120 3.426 -14.490 4.032 924 HB3 PHE 120 2HB PHE 120 2.152 -13.666 3.130 925 HD1 PHE 120 1HD PHE 120 2.514 -15.601 6.367 926 HD2 PHE 120 2HD PHE 120 0.942 -12.088 4.410 927 HE1 PHE 120 1HE PHE 120 1.558 -14.816 8.516 928 HE2 PHE 120 2HE PHE 120 -0.130 -11.410 6.524 929 HZ PHE 120 HZ PHE 120 0.359 -12.616 8.597 930 H CYS 121 H CYS 121 0.601 -15.167 1.251 931 HA CYS 121 HA CYS 121 -2.124 -14.846 2.226 932 HB2 CYS 121 1HB CYS 121 -0.975 -15.128 -0.586 933 HB3 CYS 121 2HB CYS 121 -2.675 -14.833 -0.221 934 HG CYS 121 HG CYS 121 0.002 -13.082 0.519 935 H ALA 122 H ALA 122 -0.240 -17.665 1.555 936 HA ALA 122 HA ALA 122 -2.620 -19.367 1.126 937 HB1 ALA 122 1HB ALA 122 -1.054 -21.059 0.527 938 HB2 ALA 122 2HB ALA 122 -0.600 -19.599 -0.380 939 HB3 ALA 122 3HB ALA 122 0.323 -20.089 1.079 940 H GLN 123 H GLN 123 -1.233 -17.957 3.748 941 HA GLN 123 HA GLN 123 -1.921 -20.322 5.363 942 HB2 GLN 123 1HB GLN 123 -0.306 -17.837 6.107 943 HB3 GLN 123 2HB GLN 123 -0.965 -18.971 7.287 944 HG2 GLN 123 1HG GLN 123 0.270 -20.820 6.037 945 HG3 GLN 123 2HG GLN 123 1.184 -19.528 5.239 946 HE21 GLN 123 1HE2 GLN 123 2.182 -21.638 7.172 947 HE22 GLN 123 2HE2 GLN 123 2.763 -20.787 8.561 948 H GLU 124 H GLU 124 -3.713 -18.371 3.760 949 HA GLU 124 HA GLU 124 -5.530 -17.705 5.956 950 HB2 GLU 124 1HB GLU 124 -4.294 -15.793 3.975 951 HB3 GLU 124 2HB GLU 124 -6.011 -15.618 4.313 952 HG2 GLU 124 1HG GLU 124 -4.060 -15.736 6.632 953 HG3 GLU 124 2HG GLU 124 -4.227 -14.280 5.675 Start of MODEL 13 1 H1 MET 1 H MET 1 16.644 1.446 -7.849 2 HA MET 1 HA MET 1 16.760 0.051 -9.750 3 HB2 MET 1 1HB MET 1 17.238 -2.077 -7.659 4 HB3 MET 1 2HB MET 1 16.678 -2.530 -9.281 5 HG2 MET 1 1HG MET 1 19.043 -0.643 -8.934 6 HG3 MET 1 2HG MET 1 19.264 -2.384 -8.846 7 HE1 MET 1 3HE MET 1 20.069 -3.695 -10.872 8 HE2 MET 1 1HE MET 1 18.348 -4.041 -10.590 9 HE3 MET 1 2HE MET 1 18.946 -3.800 -12.244 10 H LYS 2 H LYS 2 14.823 -0.905 -10.828 11 HA LYS 2 HA LYS 2 12.397 -0.280 -9.300 12 HB2 LYS 2 1HB LYS 2 12.630 -1.475 -12.110 13 HB3 LYS 2 2HB LYS 2 11.179 -0.846 -11.336 14 HG2 LYS 2 1HG LYS 2 12.594 1.356 -11.097 15 HG3 LYS 2 2HG LYS 2 13.594 0.678 -12.352 16 HD2 LYS 2 1HD LYS 2 11.712 0.669 -13.901 17 HD3 LYS 2 2HD LYS 2 10.574 1.102 -12.595 18 HE2 LYS 2 1HE LYS 2 11.814 3.214 -12.207 19 HE3 LYS 2 2HE LYS 2 12.952 2.790 -13.479 20 HZ1 LYS 2 3HZ LYS 2 11.138 4.361 -14.008 21 HZ2 LYS 2 1HZ LYS 2 11.363 3.115 -15.088 22 HZ3 LYS 2 2HZ LYS 2 10.094 3.088 -14.017 23 H MET 3 H MET 3 11.143 -1.767 -8.159 24 HA MET 3 HA MET 3 11.275 -4.614 -8.693 25 HB2 MET 3 1HB MET 3 12.115 -5.103 -6.356 26 HB3 MET 3 2HB MET 3 13.318 -4.522 -7.489 27 HG2 MET 3 1HG MET 3 12.538 -2.159 -6.312 28 HG3 MET 3 2HG MET 3 12.348 -3.292 -4.984 29 HE1 MET 3 3HE MET 3 14.453 -4.572 -3.898 30 HE2 MET 3 1HE MET 3 14.675 -5.349 -5.496 31 HE3 MET 3 2HE MET 3 16.061 -4.608 -4.652 32 H LYS 4 H LYS 4 9.519 -5.743 -7.493 33 HA LYS 4 HA LYS 4 7.692 -3.875 -6.107 34 HB2 LYS 4 1HB LYS 4 6.963 -4.320 -8.404 35 HB3 LYS 4 2HB LYS 4 6.809 -6.044 -8.003 36 HG2 LYS 4 1HG LYS 4 5.086 -5.437 -6.273 37 HG3 LYS 4 2HG LYS 4 5.308 -3.733 -6.683 38 HD2 LYS 4 1HD LYS 4 4.661 -4.409 -9.102 39 HD3 LYS 4 2HD LYS 4 4.107 -5.939 -8.394 40 HE2 LYS 4 1HE LYS 4 2.593 -4.594 -6.869 41 HE3 LYS 4 2HE LYS 4 3.122 -3.125 -7.714 42 HZ1 LYS 4 3HZ LYS 4 1.531 -5.357 -8.749 43 HZ2 LYS 4 1HZ LYS 4 1.110 -3.764 -8.712 44 HZ3 LYS 4 2HZ LYS 4 2.253 -4.275 -9.776 45 H LYS 5 H LYS 5 8.383 -4.484 -3.999 46 HA LYS 5 HA LYS 5 8.068 -7.363 -3.281 47 HB2 LYS 5 1HB LYS 5 9.478 -5.033 -2.004 48 HB3 LYS 5 2HB LYS 5 9.119 -6.484 -1.063 49 HG2 LYS 5 1HG LYS 5 10.572 -7.830 -2.186 50 HG3 LYS 5 2HG LYS 5 10.398 -6.986 -3.731 51 HD2 LYS 5 1HD LYS 5 11.837 -5.231 -3.125 52 HD3 LYS 5 2HD LYS 5 11.796 -5.653 -1.417 53 HE2 LYS 5 1HE LYS 5 12.974 -7.523 -3.523 54 HE3 LYS 5 2HE LYS 5 13.926 -6.246 -2.747 55 HZ1 LYS 5 3HZ LYS 5 13.334 -7.265 -0.592 56 HZ2 LYS 5 1HZ LYS 5 12.653 -8.519 -1.339 57 HZ3 LYS 5 2HZ LYS 5 14.248 -8.269 -1.534 58 H TYR 6 H TYR 6 7.143 -7.686 -0.956 59 HA TYR 6 HA TYR 6 4.504 -6.298 -0.805 60 HB2 TYR 6 1HB TYR 6 5.124 -9.270 -0.756 61 HB3 TYR 6 2HB TYR 6 3.530 -8.570 -0.501 62 HD1 TYR 6 2HD TYR 6 6.155 -9.269 -3.012 63 HD2 TYR 6 1HD TYR 6 2.190 -7.733 -2.331 64 HE1 TYR 6 2HE TYR 6 5.756 -9.258 -5.437 65 HE2 TYR 6 1HE TYR 6 1.729 -7.837 -4.779 66 HH TYR 6 HH TYR 6 4.045 -9.250 -7.054 67 H THR 7 H THR 7 3.235 -7.285 1.328 68 HA THR 7 HA THR 7 5.110 -7.462 3.547 69 HB THR 7 HB THR 7 3.660 -5.980 4.816 70 HG1 THR 7 1HG THR 7 1.927 -5.053 3.962 71 HG21 THR 7 3HG2 THR 7 4.075 -3.831 3.790 72 HG22 THR 7 1HG2 THR 7 5.489 -4.871 3.574 73 HG23 THR 7 2HG2 THR 7 4.382 -4.579 2.207 74 H LYS 8 H LYS 8 4.017 -8.197 5.445 75 HA LYS 8 HA LYS 8 1.895 -10.225 5.103 76 HB2 LYS 8 1HB LYS 8 3.217 -9.337 7.714 77 HB3 LYS 8 2HB LYS 8 1.994 -10.526 7.561 78 HG2 LYS 8 1HG LYS 8 3.504 -12.077 7.438 79 HG3 LYS 8 2HG LYS 8 3.831 -11.557 5.813 80 HD2 LYS 8 1HD LYS 8 5.280 -10.838 8.397 81 HD3 LYS 8 2HD LYS 8 5.921 -11.790 7.048 82 HE2 LYS 8 1HE LYS 8 5.936 -9.797 5.607 83 HE3 LYS 8 2HE LYS 8 5.096 -8.893 6.869 84 HZ1 LYS 8 3HZ LYS 8 7.897 -9.833 6.879 85 HZ2 LYS 8 1HZ LYS 8 7.349 -8.307 6.997 86 HZ3 LYS 8 2HZ LYS 8 7.157 -9.315 8.264 87 H THR 9 H THR 9 1.505 -7.169 4.603 88 HA THR 9 HA THR 9 -0.890 -6.915 6.333 89 HB THR 9 HB THR 9 -0.471 -4.533 6.547 90 HG1 THR 9 1HG THR 9 0.869 -3.651 5.235 91 HG21 THR 9 3HG2 THR 9 0.407 -6.082 8.306 92 HG22 THR 9 1HG2 THR 9 1.988 -6.083 7.495 93 HG23 THR 9 2HG2 THR 9 1.346 -4.575 8.176 94 H HIS 10 H HIS 10 -0.539 -8.063 3.700 95 HA HIS 10 HA HIS 10 -1.191 -7.907 1.561 96 HB2 HIS 10 1HB HIS 10 -3.661 -7.302 1.347 97 HB3 HIS 10 2HB HIS 10 -3.202 -8.645 2.376 98 HD1 HIS 10 1HD HIS 10 -4.340 -4.937 2.790 99 HD2 HIS 10 2HD HIS 10 -3.830 -8.525 4.963 100 HE1 HIS 10 1HE HIS 10 -5.837 -4.763 4.849 101 HE2 HIS 10 2HE HIS 10 -5.590 -6.969 6.142 102 H GLU 11 H GLU 11 0.603 -6.001 1.738 103 HA GLU 11 HA GLU 11 -0.557 -3.897 -0.015 104 HB2 GLU 11 1HB GLU 11 1.673 -3.631 2.058 105 HB3 GLU 11 2HB GLU 11 1.402 -2.476 0.757 106 HG2 GLU 11 1HG GLU 11 -0.618 -1.708 1.620 107 HG3 GLU 11 2HG GLU 11 -0.910 -3.173 2.536 108 H TRP 12 H TRP 12 0.618 -3.549 -1.849 109 HA TRP 12 HA TRP 12 3.072 -5.130 -2.343 110 HB2 TRP 12 1HB TRP 12 2.715 -4.548 -4.735 111 HB3 TRP 12 2HB TRP 12 1.499 -5.636 -4.072 112 HD1 TRP 12 HD TRP 12 -0.951 -4.801 -3.799 113 HE1 TRP 12 1HE TRP 12 -2.300 -2.930 -4.848 114 HE3 TRP 12 3HE TRP 12 2.893 -1.986 -5.761 115 HZ2 TRP 12 2HZ TRP 12 -1.837 -0.750 -6.649 116 HZ3 TRP 12 3HZ TRP 12 2.326 -0.130 -7.324 117 HH2 TRP 12 HH TRP 12 -0.010 0.488 -7.765 118 H VAL 13 H VAL 13 4.766 -3.866 -3.286 119 HA VAL 13 HA VAL 13 4.686 -0.980 -2.668 120 HB VAL 13 HB VAL 13 7.008 -2.813 -1.947 121 HG11 VAL 13 1HG1 VAL 13 7.518 -0.514 -1.885 122 HG12 VAL 13 2HG1 VAL 13 6.011 -0.099 -1.018 123 HG13 VAL 13 3HG1 VAL 13 7.294 -1.019 -0.218 124 HG21 VAL 13 3HG2 VAL 13 5.131 -3.847 -0.694 125 HG22 VAL 13 1HG2 VAL 13 6.210 -2.998 0.379 126 HG23 VAL 13 2HG2 VAL 13 4.652 -2.257 -0.082 127 H SER 14 H SER 14 5.007 -0.151 -4.664 128 HA SER 14 HA SER 14 6.609 -1.632 -6.666 129 HB2 SER 14 1HB SER 14 4.273 0.146 -6.560 130 HB3 SER 14 2HB SER 14 5.384 0.523 -7.854 131 HG SER 14 HG SER 14 5.049 -1.376 -8.764 132 H ILE 15 H ILE 15 8.628 -1.067 -5.676 133 HA ILE 15 HA ILE 15 9.550 1.653 -5.405 134 HB ILE 15 HB ILE 15 10.977 -1.015 -5.556 135 HG12 ILE 15 1HG1 ILE 15 11.132 -0.129 -2.918 136 HG13 ILE 15 2HG1 ILE 15 9.534 0.360 -3.373 137 HG21 ILE 15 1HG2 ILE 15 12.900 0.045 -4.556 138 HG22 ILE 15 2HG2 ILE 15 12.516 0.876 -6.038 139 HG23 ILE 15 3HG2 ILE 15 12.038 1.615 -4.494 140 HD11 ILE 15 3HD1 ILE 15 10.575 -2.476 -3.665 141 HD12 ILE 15 1HD1 ILE 15 9.507 -1.871 -2.376 142 HD13 ILE 15 2HD1 ILE 15 8.961 -1.895 -4.058 143 H GLU 16 H GLU 16 10.889 2.785 -6.812 144 HA GLU 16 HA GLU 16 11.432 1.615 -9.445 145 HB2 GLU 16 1HB GLU 16 10.631 3.768 -10.556 146 HB3 GLU 16 2HB GLU 16 9.505 2.510 -10.104 147 HG2 GLU 16 1HG GLU 16 8.869 3.817 -8.065 148 HG3 GLU 16 2HG GLU 16 9.955 5.121 -8.602 149 H ASP 17 H ASP 17 11.844 4.897 -7.948 150 HA ASP 17 HA ASP 17 14.750 4.578 -8.607 151 HB2 ASP 17 1HB ASP 17 13.027 6.261 -9.945 152 HB3 ASP 17 2HB ASP 17 13.742 7.337 -8.771 153 H LYS 18 H LYS 18 12.696 6.839 -6.829 154 HA LYS 18 HA LYS 18 14.057 6.019 -4.307 155 HB2 LYS 18 1HB LYS 18 13.667 8.933 -5.094 156 HB3 LYS 18 2HB LYS 18 14.172 8.373 -3.509 157 HG2 LYS 18 1HG LYS 18 16.247 7.559 -4.250 158 HG3 LYS 18 2HG LYS 18 15.830 7.703 -5.960 159 HD2 LYS 18 1HD LYS 18 15.789 10.213 -4.288 160 HD3 LYS 18 2HD LYS 18 17.332 9.507 -4.755 161 HE2 LYS 18 1HE LYS 18 16.707 11.148 -6.397 162 HE3 LYS 18 2HE LYS 18 16.743 9.549 -7.127 163 HZ1 LYS 18 3HZ LYS 18 14.251 10.940 -6.290 164 HZ2 LYS 18 1HZ LYS 18 14.868 10.917 -7.810 165 HZ3 LYS 18 2HZ LYS 18 14.333 9.535 -7.115 166 H VAL 19 H VAL 19 11.308 5.732 -5.761 167 HA VAL 19 HA VAL 19 9.659 6.513 -3.454 168 HB VAL 19 HB VAL 19 9.040 7.137 -6.378 169 HG11 VAL 19 1HG1 VAL 19 6.949 6.391 -5.259 170 HG12 VAL 19 2HG1 VAL 19 7.248 7.564 -3.954 171 HG13 VAL 19 3HG1 VAL 19 6.920 8.120 -5.603 172 HG21 VAL 19 3HG2 VAL 19 8.806 9.478 -5.570 173 HG22 VAL 19 1HG2 VAL 19 9.266 8.960 -3.937 174 HG23 VAL 19 2HG2 VAL 19 10.444 8.875 -5.278 175 H ALA 20 H ALA 20 7.907 5.083 -3.144 176 HA ALA 20 HA ALA 20 7.625 2.720 -4.968 177 HB1 ALA 20 1HB ALA 20 7.251 1.275 -3.117 178 HB2 ALA 20 2HB ALA 20 8.720 2.183 -2.678 179 HB3 ALA 20 3HB ALA 20 7.171 2.623 -1.958 180 H THR 21 H THR 21 5.657 2.488 -5.651 181 HA THR 21 HA THR 21 3.419 4.150 -4.665 182 HB THR 21 HB THR 21 3.804 2.159 -6.916 183 HG1 THR 21 1HG THR 21 4.546 4.269 -7.247 184 HG21 THR 21 3HG2 THR 21 1.369 2.059 -5.999 185 HG22 THR 21 1HG2 THR 21 1.219 3.700 -6.690 186 HG23 THR 21 2HG2 THR 21 1.639 2.351 -7.726 187 H VAL 22 H VAL 22 2.533 3.488 -2.732 188 HA VAL 22 HA VAL 22 2.447 0.604 -2.057 189 HB VAL 22 HB VAL 22 1.252 2.938 -0.502 190 HG11 VAL 22 1HG1 VAL 22 2.156 0.153 0.360 191 HG12 VAL 22 2HG1 VAL 22 1.458 1.405 1.412 192 HG13 VAL 22 3HG1 VAL 22 0.480 0.677 0.149 193 HG21 VAL 22 3HG2 VAL 22 3.590 3.507 -0.708 194 HG22 VAL 22 1HG2 VAL 22 3.324 2.858 0.907 195 HG23 VAL 22 2HG2 VAL 22 4.090 1.840 -0.343 196 H GLY 23 H GLY 23 0.581 -0.606 -2.335 197 HA2 GLY 23 1HA GLY 23 -2.030 0.634 -2.328 198 HA3 GLY 23 2HA GLY 23 -1.660 -0.134 -3.834 199 H ILE 24 H ILE 24 -3.685 -1.361 -2.415 200 HA ILE 24 HA ILE 24 -2.488 -3.339 -0.601 201 HB ILE 24 HB ILE 24 -4.662 -3.895 0.119 202 HG12 ILE 24 1HG1 ILE 24 -5.728 -1.987 -1.996 203 HG13 ILE 24 2HG1 ILE 24 -5.959 -3.741 -1.926 204 HG21 ILE 24 1HG2 ILE 24 -5.114 -1.951 1.352 205 HG22 ILE 24 2HG2 ILE 24 -3.416 -1.797 0.951 206 HG23 ILE 24 3HG2 ILE 24 -4.631 -0.876 0.040 207 HD11 ILE 24 3HD1 ILE 24 -7.001 -3.040 0.503 208 HD12 ILE 24 1HD1 ILE 24 -7.333 -1.579 -0.432 209 HD13 ILE 24 2HD1 ILE 24 -7.939 -3.159 -0.981 210 H THR 25 H THR 25 -2.949 -5.673 -0.866 211 HA THR 25 HA THR 25 -3.163 -6.440 -3.739 212 HB THR 25 HB THR 25 -2.515 -8.696 -2.783 213 HG1 THR 25 1HG THR 25 -1.883 -8.878 -0.811 214 HG21 THR 25 3HG2 THR 25 -0.491 -6.485 -2.257 215 HG22 THR 25 1HG2 THR 25 -0.154 -8.204 -2.569 216 HG23 THR 25 2HG2 THR 25 -0.845 -7.205 -3.855 217 H ASN 26 H ASN 26 -4.616 -8.359 -4.186 218 HA ASN 26 HA ASN 26 -7.291 -7.910 -3.582 219 HB2 ASN 26 1HB ASN 26 -7.586 -10.025 -4.674 220 HB3 ASN 26 2HB ASN 26 -6.216 -9.301 -5.452 221 HD21 ASN 26 1HD2 ASN 26 -7.239 -12.277 -4.824 222 HD22 ASN 26 2HD2 ASN 26 -5.840 -13.027 -4.129 223 H HIS 27 H HIS 27 -5.161 -10.141 -1.683 224 HA HIS 27 HA HIS 27 -7.299 -11.319 -0.279 225 HB2 HIS 27 1HB HIS 27 -4.899 -11.855 0.149 226 HB3 HIS 27 2HB HIS 27 -4.737 -10.332 1.048 227 HD1 HIS 27 1HD HIS 27 -5.485 -13.934 1.716 228 HD2 HIS 27 2HD HIS 27 -6.676 -10.164 3.266 229 HE1 HIS 27 1HE HIS 27 -6.594 -14.362 3.943 230 HE2 HIS 27 2HE HIS 27 -7.377 -12.082 4.856 231 H ALA 28 H ALA 28 -6.190 -7.973 -0.035 232 HA ALA 28 HA ALA 28 -7.795 -7.183 2.196 233 HB1 ALA 28 1HB ALA 28 -6.784 -5.468 -0.131 234 HB2 ALA 28 2HB ALA 28 -7.059 -4.988 1.554 235 HB3 ALA 28 3HB ALA 28 -5.680 -6.056 1.117 236 H GLN 29 H GLN 29 -8.318 -6.284 -1.475 237 HA GLN 29 HA GLN 29 -10.830 -5.264 -0.633 238 HB2 GLN 29 1HB GLN 29 -11.244 -4.911 -2.933 239 HB3 GLN 29 2HB GLN 29 -9.570 -4.609 -2.763 240 HG2 GLN 29 1HG GLN 29 -10.813 -7.209 -3.747 241 HG3 GLN 29 2HG GLN 29 -10.489 -5.822 -4.824 242 HE21 GLN 29 1HE2 GLN 29 -9.815 -8.180 -5.217 243 HE22 GLN 29 2HE2 GLN 29 -8.066 -8.206 -5.039 244 H GLU 30 H GLU 30 -9.819 -8.662 -1.428 245 HA GLU 30 HA GLU 30 -12.099 -9.530 -2.548 246 HB2 GLU 30 1HB GLU 30 -9.703 -10.584 -0.951 247 HB3 GLU 30 2HB GLU 30 -11.077 -11.568 -1.284 248 HG2 GLU 30 1HG GLU 30 -10.182 -10.229 -3.738 249 HG3 GLU 30 2HG GLU 30 -9.049 -11.338 -3.019 250 H GLN 31 H GLN 31 -10.981 -9.155 0.936 251 HA GLN 31 HA GLN 31 -13.361 -10.256 2.045 252 HB2 GLN 31 1HB GLN 31 -12.662 -9.458 4.255 253 HB3 GLN 31 2HB GLN 31 -11.710 -10.733 3.455 254 HG2 GLN 31 1HG GLN 31 -10.271 -9.068 2.599 255 HG3 GLN 31 2HG GLN 31 -10.956 -7.795 3.601 256 HE21 GLN 31 1HE2 GLN 31 -11.330 -9.394 6.047 257 HE22 GLN 31 2HE2 GLN 31 -9.740 -9.749 6.648 258 H LEU 32 H LEU 32 -11.982 -6.908 1.859 259 HA LEU 32 HA LEU 32 -14.160 -5.754 3.346 260 HB2 LEU 32 1HB LEU 32 -12.106 -4.523 1.484 261 HB3 LEU 32 2HB LEU 32 -13.341 -3.595 2.287 262 HG LEU 32 HG LEU 32 -10.770 -4.597 3.303 263 HD11 LEU 32 1HD1 LEU 32 -11.408 -2.214 3.092 264 HD12 LEU 32 2HD1 LEU 32 -12.729 -2.454 4.263 265 HD13 LEU 32 3HD1 LEU 32 -11.057 -2.611 4.787 266 HD21 LEU 32 3HD2 LEU 32 -13.168 -4.835 5.148 267 HD22 LEU 32 1HD2 LEU 32 -12.096 -6.150 4.672 268 HD23 LEU 32 2HD2 LEU 32 -11.476 -4.827 5.684 269 H GLY 33 H GLY 33 -13.679 -6.246 -0.138 270 HA2 GLY 33 1HA GLY 33 -15.078 -6.065 -1.885 271 HA3 GLY 33 2HA GLY 33 -16.435 -6.000 -0.739 272 H ASP 34 H ASP 34 -17.535 -4.414 -1.496 273 HA ASP 34 HA ASP 34 -16.879 -2.176 -2.885 274 HB2 ASP 34 1HB ASP 34 -19.288 -2.720 -1.110 275 HB3 ASP 34 2HB ASP 34 -19.164 -1.355 -2.217 276 H VAL 35 H VAL 35 -15.653 -0.481 -2.349 277 HA VAL 35 HA VAL 35 -15.672 0.502 0.438 278 HB VAL 35 HB VAL 35 -13.728 1.637 -1.555 279 HG11 VAL 35 1HG1 VAL 35 -13.434 0.915 1.413 280 HG12 VAL 35 2HG1 VAL 35 -12.352 1.951 0.440 281 HG13 VAL 35 3HG1 VAL 35 -13.943 2.500 0.907 282 HG21 VAL 35 3HG2 VAL 35 -13.274 -0.742 -1.796 283 HG22 VAL 35 1HG2 VAL 35 -12.032 0.042 -0.787 284 HG23 VAL 35 2HG2 VAL 35 -13.322 -0.921 -0.010 285 H VAL 36 H VAL 36 -15.388 2.792 0.481 286 HA VAL 36 HA VAL 36 -17.367 4.398 -0.983 287 HB VAL 36 HB VAL 36 -18.086 4.837 1.474 288 HG11 VAL 36 1HG1 VAL 36 -18.673 2.049 0.377 289 HG12 VAL 36 2HG1 VAL 36 -19.703 3.004 1.453 290 HG13 VAL 36 3HG1 VAL 36 -19.433 3.543 -0.210 291 HG21 VAL 36 3HG2 VAL 36 -16.445 3.927 2.817 292 HG22 VAL 36 1HG2 VAL 36 -17.873 2.924 3.051 293 HG23 VAL 36 2HG2 VAL 36 -16.527 2.352 2.030 294 H TYR 37 H TYR 37 -14.639 4.101 1.328 295 HA TYR 37 HA TYR 37 -13.877 6.899 0.819 296 HB2 TYR 37 1HB TYR 37 -15.600 7.039 2.639 297 HB3 TYR 37 2HB TYR 37 -14.668 5.888 3.592 298 HD1 TYR 37 2HD TYR 37 -14.089 9.087 1.671 299 HD2 TYR 37 1HD TYR 37 -13.232 6.784 5.225 300 HE1 TYR 37 2HE TYR 37 -12.400 10.756 2.313 301 HE2 TYR 37 1HE TYR 37 -11.498 8.488 5.865 302 HH TYR 37 HH TYR 37 -10.176 10.434 3.684 303 H VAL 38 H VAL 38 -11.721 7.406 1.624 304 HA VAL 38 HA VAL 38 -10.248 5.321 3.006 305 HB VAL 38 HB VAL 38 -8.366 5.363 1.543 306 HG11 VAL 38 1HG1 VAL 38 -10.743 4.818 -0.265 307 HG12 VAL 38 2HG1 VAL 38 -9.093 4.207 -0.438 308 HG13 VAL 38 3HG1 VAL 38 -10.083 3.682 0.938 309 HG21 VAL 38 3HG2 VAL 38 -8.701 7.729 0.638 310 HG22 VAL 38 1HG2 VAL 38 -8.179 6.532 -0.530 311 HG23 VAL 38 2HG2 VAL 38 -9.890 7.065 -0.473 312 H ASP 39 H ASP 39 -8.793 5.942 4.288 313 HA ASP 39 HA ASP 39 -8.648 8.779 4.879 314 HB2 ASP 39 1HB ASP 39 -8.800 7.641 6.909 315 HB3 ASP 39 2HB ASP 39 -7.989 6.220 6.324 316 H LEU 40 H LEU 40 -6.981 9.879 3.872 317 HA LEU 40 HA LEU 40 -4.668 8.335 2.815 318 HB2 LEU 40 1HB LEU 40 -6.042 10.728 1.508 319 HB3 LEU 40 2HB LEU 40 -4.424 10.243 1.112 320 HG LEU 40 HG LEU 40 -6.616 8.182 0.953 321 HD11 LEU 40 1HD1 LEU 40 -5.963 10.294 -1.155 322 HD12 LEU 40 2HD1 LEU 40 -6.964 8.847 -1.433 323 HD13 LEU 40 3HD1 LEU 40 -7.501 10.080 -0.286 324 HD21 LEU 40 3HD2 LEU 40 -5.179 7.258 -0.818 325 HD22 LEU 40 1HD2 LEU 40 -4.033 8.601 -0.610 326 HD23 LEU 40 2HD2 LEU 40 -4.297 7.420 0.702 327 HA PRO 41 HA PRO 41 -2.607 11.113 5.493 328 HB2 PRO 41 1HB PRO 41 0.015 10.663 4.749 329 HB3 PRO 41 2HB PRO 41 -0.999 9.534 5.675 330 HG2 PRO 41 1HG PRO 41 -0.312 9.434 2.742 331 HG3 PRO 41 2HG PRO 41 -0.540 8.084 3.917 332 HD2 PRO 41 1HD PRO 41 -2.425 8.982 2.075 333 HD3 PRO 41 2HD PRO 41 -2.743 7.992 3.527 334 H GLU 42 H GLU 42 -0.761 12.818 5.357 335 HA GLU 42 HA GLU 42 -1.406 14.773 3.311 336 HB2 GLU 42 1HB GLU 42 -0.564 14.885 5.953 337 HB3 GLU 42 2HB GLU 42 0.926 15.237 5.075 338 HG2 GLU 42 1HG GLU 42 -0.451 16.911 3.718 339 HG3 GLU 42 2HG GLU 42 -1.774 16.650 4.861 340 H VAL 43 H VAL 43 0.399 15.838 1.974 341 HA VAL 43 HA VAL 43 1.753 13.710 0.566 342 HB VAL 43 HB VAL 43 0.312 15.850 -0.210 343 HG11 VAL 43 1HG1 VAL 43 1.596 17.637 -1.150 344 HG12 VAL 43 2HG1 VAL 43 2.144 17.456 0.541 345 HG13 VAL 43 3HG1 VAL 43 3.122 16.811 -0.786 346 HG21 VAL 43 3HG2 VAL 43 0.998 13.954 -1.634 347 HG22 VAL 43 1HG2 VAL 43 1.115 15.519 -2.462 348 HG23 VAL 43 2HG2 VAL 43 2.582 14.745 -1.844 349 H GLY 44 H GLY 44 2.715 14.719 3.109 350 HA2 GLY 44 1HA GLY 44 5.606 14.714 2.694 351 HA3 GLY 44 2HA GLY 44 4.961 16.213 3.402 352 H ARG 45 H ARG 45 3.182 13.279 4.253 353 HA ARG 45 HA ARG 45 3.907 13.731 7.034 354 HB2 ARG 45 1HB ARG 45 1.638 13.034 6.218 355 HB3 ARG 45 2HB ARG 45 2.294 11.444 5.818 356 HG2 ARG 45 1HG ARG 45 2.962 11.141 8.209 357 HG3 ARG 45 2HG ARG 45 2.343 12.766 8.563 358 HD2 ARG 45 1HD ARG 45 0.123 11.958 7.608 359 HD3 ARG 45 2HD ARG 45 0.788 10.308 7.679 360 HE ARG 45 HE ARG 45 1.068 10.542 10.079 361 HH11 ARG 45 2HH2 ARG 45 -1.133 13.022 8.642 362 HH12 ARG 45 1HH2 ARG 45 -1.430 13.755 10.181 363 HH21 ARG 45 2HH1 ARG 45 0.323 11.429 12.108 364 HH22 ARG 45 1HH1 ARG 45 -0.609 12.916 12.081 365 H GLU 46 H GLU 46 5.499 12.665 8.183 366 HA GLU 46 HA GLU 46 7.251 10.760 6.769 367 HB2 GLU 46 1HB GLU 46 7.414 12.331 9.273 368 HB3 GLU 46 2HB GLU 46 7.922 10.670 9.451 369 HG2 GLU 46 1HG GLU 46 9.352 11.050 7.304 370 HG3 GLU 46 2HG GLU 46 9.038 12.763 7.575 371 H VAL 47 H VAL 47 7.486 8.524 7.321 372 HA VAL 47 HA VAL 47 5.469 7.350 9.092 373 HB VAL 47 HB VAL 47 4.764 5.754 7.360 374 HG11 VAL 47 1HG1 VAL 47 3.265 7.138 6.153 375 HG12 VAL 47 2HG1 VAL 47 3.502 7.890 7.741 376 HG13 VAL 47 3HG1 VAL 47 4.295 8.567 6.314 377 HG21 VAL 47 3HG2 VAL 47 6.733 5.797 5.858 378 HG22 VAL 47 1HG2 VAL 47 5.224 6.064 4.984 379 HG23 VAL 47 2HG2 VAL 47 6.295 7.438 5.333 380 H LYS 48 H LYS 48 5.872 4.902 9.210 381 HA LYS 48 HA LYS 48 8.707 4.169 8.918 382 HB2 LYS 48 1HB LYS 48 6.934 3.981 11.308 383 HB3 LYS 48 2HB LYS 48 8.176 2.775 11.051 384 HG2 LYS 48 1HG LYS 48 9.916 4.203 11.462 385 HG3 LYS 48 2HG LYS 48 9.084 5.618 10.788 386 HD2 LYS 48 1HD LYS 48 9.334 5.817 13.225 387 HD3 LYS 48 2HD LYS 48 7.637 5.783 12.710 388 HE2 LYS 48 1HE LYS 48 7.662 3.259 13.221 389 HE3 LYS 48 2HE LYS 48 9.249 3.514 13.952 390 HZ1 LYS 48 3HZ LYS 48 7.948 5.352 15.221 391 HZ2 LYS 48 1HZ LYS 48 6.626 4.502 14.793 392 HZ3 LYS 48 2HZ LYS 48 7.794 3.781 15.712 393 H LYS 49 H LYS 49 8.823 1.759 8.940 394 HA LYS 49 HA LYS 49 7.059 0.673 7.063 395 HB2 LYS 49 1HB LYS 49 8.542 -1.253 7.110 396 HB3 LYS 49 2HB LYS 49 9.399 0.267 7.302 397 HG2 LYS 49 1HG LYS 49 10.584 -0.998 8.675 398 HG3 LYS 49 2HG LYS 49 9.500 -0.212 9.804 399 HD2 LYS 49 1HD LYS 49 8.544 -2.857 8.738 400 HD3 LYS 49 2HD LYS 49 10.069 -2.913 9.588 401 HE2 LYS 49 1HE LYS 49 8.512 -1.291 11.251 402 HE3 LYS 49 2HE LYS 49 7.355 -2.489 10.647 403 HZ1 LYS 49 3HZ LYS 49 9.921 -3.037 12.017 404 HZ2 LYS 49 1HZ LYS 49 8.431 -3.273 12.635 405 HZ3 LYS 49 2HZ LYS 49 8.937 -4.201 11.377 406 H GLY 50 H GLY 50 5.644 1.288 9.411 407 HA2 GLY 50 1HA GLY 50 3.834 -0.945 9.261 408 HA3 GLY 50 2HA GLY 50 4.415 -0.734 10.917 409 H GLU 51 H GLU 51 4.083 2.235 8.960 410 HA GLU 51 HA GLU 51 2.412 3.222 11.084 411 HB2 GLU 51 1HB GLU 51 4.235 4.301 9.217 412 HB3 GLU 51 2HB GLU 51 2.722 5.020 8.782 413 HG2 GLU 51 1HG GLU 51 3.854 6.450 10.301 414 HG3 GLU 51 2HG GLU 51 2.445 5.816 11.131 415 H VAL 52 H VAL 52 0.181 3.012 11.160 416 HA VAL 52 HA VAL 52 -1.331 2.522 8.728 417 HB VAL 52 HB VAL 52 -2.062 1.177 10.340 418 HG11 VAL 52 1HG1 VAL 52 -2.060 3.330 12.432 419 HG12 VAL 52 2HG1 VAL 52 -2.672 1.665 12.626 420 HG13 VAL 52 3HG1 VAL 52 -0.959 1.920 12.292 421 HG21 VAL 52 3HG2 VAL 52 -4.009 3.512 10.559 422 HG22 VAL 52 1HG2 VAL 52 -3.988 2.265 9.290 423 HG23 VAL 52 2HG2 VAL 52 -4.362 1.855 10.979 424 H VAL 53 H VAL 53 -1.063 4.275 7.551 425 HA VAL 53 HA VAL 53 -2.183 6.858 8.548 426 HB VAL 53 HB VAL 53 -0.564 7.894 6.968 427 HG11 VAL 53 1HG1 VAL 53 -0.027 7.704 9.335 428 HG12 VAL 53 2HG1 VAL 53 0.733 6.130 9.044 429 HG13 VAL 53 3HG1 VAL 53 1.404 7.597 8.302 430 HG21 VAL 53 3HG2 VAL 53 1.163 6.687 5.889 431 HG22 VAL 53 1HG2 VAL 53 0.800 5.188 6.762 432 HG23 VAL 53 2HG2 VAL 53 -0.293 5.791 5.505 433 H ALA 54 H ALA 54 -3.201 4.368 6.744 434 HA ALA 54 HA ALA 54 -4.435 6.065 4.686 435 HB1 ALA 54 1HB ALA 54 -2.613 3.704 4.094 436 HB2 ALA 54 2HB ALA 54 -3.603 4.562 2.892 437 HB3 ALA 54 3HB ALA 54 -2.322 5.432 3.744 438 H SER 55 H SER 55 -5.698 4.996 6.865 439 HA SER 55 HA SER 55 -6.554 2.284 6.683 440 HB2 SER 55 1HB SER 55 -7.133 4.631 8.303 441 HB3 SER 55 2HB SER 55 -8.616 3.761 7.939 442 HG SER 55 HG SER 55 -7.663 2.954 9.813 443 H ILE 56 H ILE 56 -8.504 1.429 6.096 444 HA ILE 56 HA ILE 56 -9.943 2.846 3.880 445 HB ILE 56 HB ILE 56 -9.804 -0.157 4.295 446 HG12 ILE 56 1HG1 ILE 56 -7.873 1.510 2.742 447 HG13 ILE 56 2HG1 ILE 56 -7.486 0.383 4.052 448 HG21 ILE 56 1HG2 ILE 56 -10.364 1.559 1.844 449 HG22 ILE 56 2HG2 ILE 56 -10.583 -0.201 1.964 450 HG23 ILE 56 3HG2 ILE 56 -11.623 0.872 2.889 451 HD11 ILE 56 3HD1 ILE 56 -8.239 -1.511 2.627 452 HD12 ILE 56 1HD1 ILE 56 -8.447 -0.372 1.277 453 HD13 ILE 56 2HD1 ILE 56 -6.857 -0.616 1.975 454 H GLU 57 H GLU 57 -12.201 3.085 4.176 455 HA GLU 57 HA GLU 57 -13.452 1.408 6.236 456 HB2 GLU 57 1HB GLU 57 -13.717 4.383 5.951 457 HB3 GLU 57 2HB GLU 57 -15.237 3.476 5.958 458 HG2 GLU 57 1HG GLU 57 -14.160 2.220 8.009 459 HG3 GLU 57 2HG GLU 57 -13.148 3.650 8.122 460 H SER 58 H SER 58 -14.810 0.088 5.312 461 HA SER 58 HA SER 58 -15.678 0.592 2.504 462 HB2 SER 58 1HB SER 58 -16.076 -1.863 2.410 463 HB3 SER 58 2HB SER 58 -14.404 -1.488 2.835 464 HG SER 58 HG SER 58 -14.939 -1.909 5.029 465 H VAL 59 H VAL 59 -17.921 -0.816 2.261 466 HA VAL 59 HA VAL 59 -20.002 0.587 3.388 467 HB VAL 59 HB VAL 59 -21.351 -1.500 2.934 468 HG11 VAL 59 1HG1 VAL 59 -21.079 -1.295 0.484 469 HG12 VAL 59 2HG1 VAL 59 -21.088 0.280 1.293 470 HG13 VAL 59 3HG1 VAL 59 -19.565 -0.417 0.723 471 HG21 VAL 59 3HG2 VAL 59 -20.340 -3.306 1.638 472 HG22 VAL 59 1HG2 VAL 59 -18.723 -2.641 1.895 473 HG23 VAL 59 2HG2 VAL 59 -19.669 -3.268 3.258 474 H LYS 60 H LYS 60 -18.443 -2.341 4.838 475 HA LYS 60 HA LYS 60 -18.743 -1.141 7.381 476 HB2 LYS 60 1HB LYS 60 -21.040 -1.907 7.351 477 HB3 LYS 60 2HB LYS 60 -20.554 -3.557 6.970 478 HG2 LYS 60 1HG LYS 60 -19.532 -3.836 9.146 479 HG3 LYS 60 2HG LYS 60 -19.530 -2.104 9.448 480 HD2 LYS 60 1HD LYS 60 -22.085 -3.737 9.182 481 HD3 LYS 60 2HD LYS 60 -21.222 -3.476 10.715 482 HE2 LYS 60 1HE LYS 60 -21.328 -0.967 10.198 483 HE3 LYS 60 2HE LYS 60 -22.475 -1.364 8.913 484 HZ1 LYS 60 3HZ LYS 60 -23.877 -2.402 10.681 485 HZ2 LYS 60 1HZ LYS 60 -22.805 -1.846 11.814 486 HZ3 LYS 60 2HZ LYS 60 -23.639 -0.799 10.875 487 H ALA 61 H ALA 61 -16.551 -1.419 6.996 488 HA ALA 61 HA ALA 61 -15.584 -3.082 8.953 489 HB1 ALA 61 1HB ALA 61 -13.803 -4.281 7.547 490 HB2 ALA 61 2HB ALA 61 -15.418 -4.998 7.521 491 HB3 ALA 61 3HB ALA 61 -14.870 -3.996 6.151 492 H ALA 62 H ALA 62 -13.543 -2.231 9.544 493 HA ALA 62 HA ALA 62 -12.357 -0.181 7.762 494 HB1 ALA 62 1HB ALA 62 -10.988 0.456 9.709 495 HB2 ALA 62 2HB ALA 62 -12.718 0.591 10.069 496 HB3 ALA 62 3HB ALA 62 -11.781 -0.792 10.695 497 H ALA 63 H ALA 63 -10.124 -0.439 7.202 498 HA ALA 63 HA ALA 63 -8.694 -2.778 8.230 499 HB1 ALA 63 1HB ALA 63 -7.705 -3.341 6.053 500 HB2 ALA 63 2HB ALA 63 -9.446 -3.661 6.080 501 HB3 ALA 63 3HB ALA 63 -8.802 -2.217 5.235 502 H ASP 64 H ASP 64 -6.983 -1.978 9.116 503 HA ASP 64 HA ASP 64 -5.691 0.525 8.654 504 HB2 ASP 64 1HB ASP 64 -3.963 -1.615 9.634 505 HB3 ASP 64 2HB ASP 64 -4.423 -0.165 10.420 506 H VAL 65 H VAL 65 -4.278 1.036 6.981 507 HA VAL 65 HA VAL 65 -3.038 -1.216 5.534 508 HB VAL 65 HB VAL 65 -3.497 1.621 4.628 509 HG11 VAL 65 1HG1 VAL 65 -2.052 -0.778 3.436 510 HG12 VAL 65 2HG1 VAL 65 -2.715 0.490 2.426 511 HG13 VAL 65 3HG1 VAL 65 -1.454 0.876 3.608 512 HG21 VAL 65 3HG2 VAL 65 -5.027 0.606 3.006 513 HG22 VAL 65 1HG2 VAL 65 -4.715 -1.016 3.670 514 HG23 VAL 65 2HG2 VAL 65 -5.520 0.208 4.653 515 H TYR 66 H TYR 66 -0.738 -1.401 6.132 516 HA TYR 66 HA TYR 66 0.217 0.691 8.046 517 HB2 TYR 66 1HB TYR 66 0.971 -2.240 7.788 518 HB3 TYR 66 2HB TYR 66 1.602 -1.094 8.946 519 HD1 TYR 66 2HD TYR 66 -0.096 -0.132 10.706 520 HD2 TYR 66 1HD TYR 66 -0.980 -3.437 8.123 521 HE1 TYR 66 2HE TYR 66 -1.713 -1.030 12.380 522 HE2 TYR 66 1HE TYR 66 -2.525 -4.358 9.729 523 HH TYR 66 HH TYR 66 -3.833 -2.698 12.196 524 H ALA 67 H ALA 67 1.448 1.990 6.804 525 HA ALA 67 HA ALA 67 2.574 1.806 4.467 526 HB1 ALA 67 1HB ALA 67 2.690 3.840 5.900 527 HB2 ALA 67 2HB ALA 67 4.016 3.086 6.821 528 HB3 ALA 67 3HB ALA 67 4.267 3.511 5.128 529 HA PRO 68 HA PRO 68 5.035 -1.640 4.664 530 HB2 PRO 68 1HB PRO 68 6.256 -1.721 2.216 531 HB3 PRO 68 2HB PRO 68 4.487 -1.897 2.450 532 HG2 PRO 68 1HG PRO 68 6.017 0.615 1.701 533 HG3 PRO 68 2HG PRO 68 4.553 -0.077 0.926 534 HD2 PRO 68 1HD PRO 68 4.360 1.899 2.782 535 HD3 PRO 68 2HD PRO 68 3.186 0.547 2.738 536 H LEU 69 H LEU 69 6.916 1.319 4.104 537 HA LEU 69 HA LEU 69 9.353 0.080 5.222 538 HB2 LEU 69 1HB LEU 69 9.201 1.846 2.781 539 HB3 LEU 69 2HB LEU 69 10.660 1.564 3.725 540 HG LEU 69 HG LEU 69 10.878 0.405 1.792 541 HD11 LEU 69 1HD1 LEU 69 11.733 -0.829 3.713 542 HD12 LEU 69 2HD1 LEU 69 10.184 -1.678 3.900 543 HD13 LEU 69 3HD1 LEU 69 11.199 -1.960 2.470 544 HD21 LEU 69 3HD2 LEU 69 8.358 -1.146 2.167 545 HD22 LEU 69 1HD2 LEU 69 8.456 0.367 1.228 546 HD23 LEU 69 2HD2 LEU 69 9.408 -1.034 0.737 547 H SER 70 H SER 70 10.836 1.953 5.932 548 HA SER 70 HA SER 70 9.281 4.160 7.102 549 HB2 SER 70 1HB SER 70 12.173 3.239 7.502 550 HB3 SER 70 2HB SER 70 11.353 4.505 8.439 551 HG SER 70 HG SER 70 11.421 2.227 9.273 552 H GLY 71 H GLY 71 9.274 6.232 6.377 553 HA2 GLY 71 1HA GLY 71 11.166 7.399 4.591 554 HA3 GLY 71 2HA GLY 71 9.899 6.554 3.686 555 H LYS 72 H LYS 72 9.199 8.755 2.924 556 HA LYS 72 HA LYS 72 7.212 9.844 4.826 557 HB2 LYS 72 1HB LYS 72 9.153 11.319 5.115 558 HB3 LYS 72 2HB LYS 72 9.314 11.490 3.401 559 HG2 LYS 72 1HG LYS 72 6.923 12.535 3.460 560 HG3 LYS 72 2HG LYS 72 7.165 12.620 5.197 561 HD2 LYS 72 1HD LYS 72 9.075 13.916 3.220 562 HD3 LYS 72 2HD LYS 72 7.615 14.700 3.808 563 HE2 LYS 72 1HE LYS 72 8.413 14.250 6.169 564 HE3 LYS 72 2HE LYS 72 9.961 13.730 5.471 565 HZ1 LYS 72 3HZ LYS 72 10.052 16.003 6.082 566 HZ2 LYS 72 1HZ LYS 72 10.070 15.945 4.437 567 HZ3 LYS 72 2HZ LYS 72 8.682 16.383 5.228 568 H ILE 73 H ILE 73 5.350 10.549 3.802 569 HA ILE 73 HA ILE 73 4.727 9.456 1.223 570 HB ILE 73 HB ILE 73 3.268 11.589 2.803 571 HG12 ILE 73 1HG1 ILE 73 3.300 9.942 4.447 572 HG13 ILE 73 2HG1 ILE 73 1.812 9.622 3.622 573 HG21 ILE 73 1HG2 ILE 73 1.233 10.709 1.696 574 HG22 ILE 73 2HG2 ILE 73 2.382 11.305 0.523 575 HG23 ILE 73 3HG2 ILE 73 2.228 9.548 0.784 576 HD11 ILE 73 3HD1 ILE 73 4.368 8.035 3.631 577 HD12 ILE 73 1HD1 ILE 73 2.694 7.496 3.878 578 HD13 ILE 73 2HD1 ILE 73 3.272 7.916 2.247 579 H VAL 74 H VAL 74 4.410 10.616 -0.769 580 HA VAL 74 HA VAL 74 5.080 13.496 -0.796 581 HB VAL 74 HB VAL 74 6.689 13.052 -2.775 582 HG11 VAL 74 1HG1 VAL 74 7.669 11.735 -0.230 583 HG12 VAL 74 2HG1 VAL 74 8.623 12.528 -1.503 584 HG13 VAL 74 3HG1 VAL 74 7.542 13.499 -0.484 585 HG21 VAL 74 3HG2 VAL 74 5.951 10.764 -3.369 586 HG22 VAL 74 1HG2 VAL 74 7.687 10.858 -3.089 587 HG23 VAL 74 2HG2 VAL 74 6.640 10.147 -1.851 588 H GLU 75 H GLU 75 3.073 10.987 -1.923 589 HA GLU 75 HA GLU 75 1.806 12.799 -3.825 590 HB2 GLU 75 1HB GLU 75 3.675 10.750 -4.692 591 HB3 GLU 75 2HB GLU 75 2.037 10.178 -5.032 592 HG2 GLU 75 1HG GLU 75 1.635 12.255 -6.345 593 HG3 GLU 75 2HG GLU 75 3.307 12.758 -6.022 594 H VAL 76 H VAL 76 -0.468 12.257 -3.753 595 HA VAL 76 HA VAL 76 -1.207 9.710 -2.414 596 HB VAL 76 HB VAL 76 -2.961 10.868 -1.158 597 HG11 VAL 76 1HG1 VAL 76 -0.756 10.644 -0.012 598 HG12 VAL 76 2HG1 VAL 76 -0.253 12.227 -0.647 599 HG13 VAL 76 3HG1 VAL 76 -1.593 12.126 0.471 600 HG21 VAL 76 3HG2 VAL 76 -3.139 13.268 -1.098 601 HG22 VAL 76 1HG2 VAL 76 -1.751 13.455 -2.205 602 HG23 VAL 76 2HG2 VAL 76 -3.271 12.744 -2.774 603 H ASN 77 H ASN 77 -3.166 8.798 -3.285 604 HA ASN 77 HA ASN 77 -3.648 9.699 -6.046 605 HB2 ASN 77 1HB ASN 77 -3.222 7.285 -5.209 606 HB3 ASN 77 2HB ASN 77 -4.842 7.303 -4.625 607 HD21 ASN 77 1HD2 ASN 77 -4.910 5.477 -6.049 608 HD22 ASN 77 2HD2 ASN 77 -5.259 5.581 -7.750 609 H GLU 78 H GLU 78 -4.702 11.742 -5.346 610 HA GLU 78 HA GLU 78 -6.934 11.950 -3.667 611 HB2 GLU 78 1HB GLU 78 -5.787 13.524 -5.944 612 HB3 GLU 78 2HB GLU 78 -7.472 13.863 -5.566 613 HG2 GLU 78 1HG GLU 78 -6.905 14.360 -3.229 614 HG3 GLU 78 2HG GLU 78 -5.200 14.028 -3.564 615 H LYS 79 H LYS 79 -6.785 10.454 -6.621 616 HA LYS 79 HA LYS 79 -9.457 10.375 -7.627 617 HB2 LYS 79 1HB LYS 79 -7.029 8.584 -7.621 618 HB3 LYS 79 2HB LYS 79 -8.513 7.924 -8.203 619 HG2 LYS 79 1HG LYS 79 -7.483 10.521 -9.306 620 HG3 LYS 79 2HG LYS 79 -6.954 8.952 -9.925 621 HD2 LYS 79 1HD LYS 79 -9.790 8.736 -9.770 622 HD3 LYS 79 2HD LYS 79 -9.494 10.370 -10.358 623 HE2 LYS 79 1HE LYS 79 -7.970 9.378 -12.124 624 HE3 LYS 79 2HE LYS 79 -8.348 7.787 -11.461 625 HZ1 LYS 79 3HZ LYS 79 -10.779 8.726 -11.927 626 HZ2 LYS 79 1HZ LYS 79 -9.946 9.427 -13.192 627 HZ3 LYS 79 2HZ LYS 79 -9.949 7.783 -12.949 628 H LEU 80 H LEU 80 -7.938 8.549 -4.850 629 HA LEU 80 HA LEU 80 -10.115 6.657 -4.795 630 HB2 LEU 80 1HB LEU 80 -7.859 7.355 -2.889 631 HB3 LEU 80 2HB LEU 80 -9.083 6.159 -2.521 632 HG LEU 80 HG LEU 80 -6.637 5.634 -3.684 633 HD11 LEU 80 1HD1 LEU 80 -9.168 3.973 -3.841 634 HD12 LEU 80 2HD1 LEU 80 -7.488 3.387 -3.982 635 HD13 LEU 80 3HD1 LEU 80 -8.027 4.103 -2.466 636 HD21 LEU 80 3HD2 LEU 80 -7.413 6.430 -5.961 637 HD22 LEU 80 1HD2 LEU 80 -7.089 4.695 -5.922 638 HD23 LEU 80 2HD2 LEU 80 -8.762 5.264 -5.875 639 H ASP 81 H ASP 81 -9.933 9.888 -3.764 640 HA ASP 81 HA ASP 81 -11.813 9.870 -1.566 641 HB2 ASP 81 1HB ASP 81 -10.147 11.662 -2.189 642 HB3 ASP 81 2HB ASP 81 -11.098 11.956 -3.637 643 H THR 82 H THR 82 -12.026 10.173 -5.135 644 HA THR 82 HA THR 82 -14.973 10.436 -5.023 645 HB THR 82 HB THR 82 -14.539 11.293 -7.396 646 HG1 THR 82 1HG THR 82 -12.409 12.028 -7.754 647 HG21 THR 82 3HG2 THR 82 -13.200 12.808 -5.117 648 HG22 THR 82 1HG2 THR 82 -13.848 13.480 -6.636 649 HG23 THR 82 2HG2 THR 82 -14.953 12.764 -5.443 650 H GLU 83 H GLU 83 -12.430 8.406 -6.227 651 HA GLU 83 HA GLU 83 -14.360 6.346 -7.135 652 HB2 GLU 83 1HB GLU 83 -11.906 7.504 -8.462 653 HB3 GLU 83 2HB GLU 83 -12.444 5.879 -8.874 654 HG2 GLU 83 1HG GLU 83 -14.099 6.583 -10.188 655 HG3 GLU 83 2HG GLU 83 -14.691 7.735 -8.999 656 HA PRO 84 HA PRO 84 -11.318 4.824 -3.830 657 HB2 PRO 84 1HB PRO 84 -13.577 3.777 -2.338 658 HB3 PRO 84 2HB PRO 84 -12.433 5.056 -1.859 659 HG2 PRO 84 1HG PRO 84 -15.204 5.316 -2.662 660 HG3 PRO 84 2HG PRO 84 -14.065 6.616 -2.189 661 HD2 PRO 84 1HD PRO 84 -15.009 5.879 -4.845 662 HD3 PRO 84 2HD PRO 84 -14.023 7.273 -4.341 663 H GLU 85 H GLU 85 -14.193 3.682 -5.461 664 HA GLU 85 HA GLU 85 -14.039 0.904 -5.032 665 HB2 GLU 85 1HB GLU 85 -16.009 2.162 -5.658 666 HB3 GLU 85 2HB GLU 85 -15.295 2.699 -7.113 667 HG2 GLU 85 1HG GLU 85 -15.357 -0.183 -7.228 668 HG3 GLU 85 2HG GLU 85 -16.868 0.348 -6.554 669 H LEU 86 H LEU 86 -11.856 2.854 -6.943 670 HA LEU 86 HA LEU 86 -11.240 0.701 -8.782 671 HB2 LEU 86 1HB LEU 86 -9.841 3.257 -8.050 672 HB3 LEU 86 2HB LEU 86 -8.873 1.952 -8.720 673 HG LEU 86 HG LEU 86 -11.158 3.388 -10.122 674 HD11 LEU 86 1HD1 LEU 86 -9.427 3.787 -11.795 675 HD12 LEU 86 2HD1 LEU 86 -8.764 4.277 -10.219 676 HD13 LEU 86 3HD1 LEU 86 -8.326 2.704 -10.935 677 HD21 LEU 86 3HD2 LEU 86 -9.728 0.794 -10.848 678 HD22 LEU 86 1HD2 LEU 86 -11.515 1.113 -10.832 679 HD23 LEU 86 2HD2 LEU 86 -10.458 1.810 -12.074 680 H ILE 87 H ILE 87 -10.676 1.048 -5.396 681 HA ILE 87 HA ILE 87 -8.465 -0.737 -5.167 682 HB ILE 87 HB ILE 87 -10.854 -0.137 -3.375 683 HG12 ILE 87 1HG1 ILE 87 -7.882 0.565 -3.109 684 HG13 ILE 87 2HG1 ILE 87 -9.102 1.640 -3.785 685 HG21 ILE 87 1HG2 ILE 87 -9.527 -1.338 -1.574 686 HG22 ILE 87 2HG2 ILE 87 -10.150 -2.392 -2.819 687 HG23 ILE 87 3HG2 ILE 87 -8.441 -1.904 -2.871 688 HD11 ILE 87 3HD1 ILE 87 -9.099 0.634 -0.906 689 HD12 ILE 87 1HD1 ILE 87 -8.620 2.213 -1.461 690 HD13 ILE 87 2HD1 ILE 87 -10.311 1.709 -1.642 691 H ASN 88 H ASN 88 -11.908 -1.297 -6.071 692 HA ASN 88 HA ASN 88 -11.715 -4.189 -5.626 693 HB2 ASN 88 1HB ASN 88 -13.631 -2.581 -7.382 694 HB3 ASN 88 2HB ASN 88 -13.748 -4.284 -6.830 695 HD21 ASN 88 1HD2 ASN 88 -12.795 -3.387 -4.048 696 HD22 ASN 88 2HD2 ASN 88 -14.290 -2.918 -3.288 697 H LYS 89 H LYS 89 -11.807 -1.921 -8.326 698 HA LYS 89 HA LYS 89 -11.740 -3.778 -10.449 699 HB2 LYS 89 1HB LYS 89 -11.052 -0.889 -10.161 700 HB3 LYS 89 2HB LYS 89 -11.010 -1.665 -11.687 701 HG2 LYS 89 1HG LYS 89 -13.327 -0.819 -10.042 702 HG3 LYS 89 2HG LYS 89 -13.082 -0.833 -11.788 703 HD2 LYS 89 1HD LYS 89 -13.967 -3.194 -10.127 704 HD3 LYS 89 2HD LYS 89 -14.966 -2.153 -11.145 705 HE2 LYS 89 1HE LYS 89 -13.564 -2.865 -13.144 706 HE3 LYS 89 2HE LYS 89 -12.791 -4.064 -12.090 707 HZ1 LYS 89 3HZ LYS 89 -14.531 -5.165 -13.151 708 HZ2 LYS 89 1HZ LYS 89 -15.169 -4.837 -11.655 709 HZ3 LYS 89 2HZ LYS 89 -15.605 -3.922 -12.919 710 H ASP 90 H ASP 90 -9.141 -1.663 -9.118 711 HA ASP 90 HA ASP 90 -7.137 -3.343 -10.467 712 HB2 ASP 90 1HB ASP 90 -7.330 -0.288 -10.743 713 HB3 ASP 90 2HB ASP 90 -6.120 -1.319 -11.479 714 HA PRO 91 HA PRO 91 -6.281 -1.678 -6.123 715 HB2 PRO 91 1HB PRO 91 -5.547 -4.172 -4.982 716 HB3 PRO 91 2HB PRO 91 -7.133 -3.372 -4.858 717 HG2 PRO 91 1HG PRO 91 -6.218 -5.614 -6.628 718 HG3 PRO 91 2HG PRO 91 -7.832 -5.302 -5.976 719 HD2 PRO 91 1HD PRO 91 -7.126 -4.794 -8.587 720 HD3 PRO 91 2HD PRO 91 -8.430 -3.937 -7.755 721 H GLU 92 H GLU 92 -4.563 -3.297 -8.558 722 HA GLU 92 HA GLU 92 -2.002 -3.491 -7.116 723 HB2 GLU 92 1HB GLU 92 -2.583 -4.724 -9.734 724 HB3 GLU 92 2HB GLU 92 -1.520 -5.305 -8.471 725 HG2 GLU 92 1HG GLU 92 -3.297 -6.247 -7.208 726 HG3 GLU 92 2HG GLU 92 -4.537 -5.345 -8.061 727 H GLY 93 H GLY 93 -3.566 -1.409 -9.072 728 HA2 GLY 93 1HA GLY 93 -1.152 -0.357 -10.413 729 HA3 GLY 93 2HA GLY 93 -2.569 -0.781 -11.392 730 H GLU 94 H GLU 94 -4.668 0.398 -10.898 731 HA GLU 94 HA GLU 94 -4.004 3.198 -10.426 732 HB2 GLU 94 1HB GLU 94 -6.312 1.724 -11.709 733 HB3 GLU 94 2HB GLU 94 -6.390 3.461 -11.339 734 HG2 GLU 94 1HG GLU 94 -4.340 3.871 -12.516 735 HG3 GLU 94 2HG GLU 94 -4.164 2.163 -12.916 736 H GLY 95 H GLY 95 -5.766 0.699 -8.693 737 HA2 GLY 95 1HA GLY 95 -7.013 2.494 -6.747 738 HA3 GLY 95 2HA GLY 95 -6.838 0.753 -6.680 739 H TRP 96 H TRP 96 -4.130 3.021 -7.179 740 HA TRP 96 HA TRP 96 -2.689 1.869 -4.917 741 HB2 TRP 96 1HB TRP 96 -0.888 3.256 -5.530 742 HB3 TRP 96 2HB TRP 96 -1.501 2.501 -6.955 743 HD1 TRP 96 HD TRP 96 -2.721 3.938 -8.774 744 HE1 TRP 96 1HE TRP 96 -2.596 6.378 -9.495 745 HE3 TRP 96 3HE TRP 96 -0.697 6.006 -4.514 746 HZ2 TRP 96 2HZ TRP 96 -1.650 8.838 -8.440 747 HZ3 TRP 96 3HZ TRP 96 -0.243 8.471 -4.441 748 HH2 TRP 96 HH TRP 96 -0.622 9.846 -6.431 749 H LEU 97 H LEU 97 -1.962 3.220 -3.070 750 HA LEU 97 HA LEU 97 -4.248 4.933 -2.199 751 HB2 LEU 97 1HB LEU 97 -1.978 3.807 -0.557 752 HB3 LEU 97 2HB LEU 97 -3.476 4.570 0.024 753 HG LEU 97 HG LEU 97 -3.938 2.117 -1.573 754 HD11 LEU 97 1HD1 LEU 97 -1.661 1.643 -0.569 755 HD12 LEU 97 2HD1 LEU 97 -2.313 2.014 1.009 756 HD13 LEU 97 3HD1 LEU 97 -2.916 0.590 0.111 757 HD21 LEU 97 3HD2 LEU 97 -4.598 2.687 1.369 758 HD22 LEU 97 1HD2 LEU 97 -5.643 3.127 -0.001 759 HD23 LEU 97 2HD2 LEU 97 -5.294 1.425 0.340 760 H PHE 98 H PHE 98 -0.686 4.891 -1.475 761 HA PHE 98 HA PHE 98 -0.424 7.705 -2.235 762 HB2 PHE 98 1HB PHE 98 0.515 8.289 -0.097 763 HB3 PHE 98 2HB PHE 98 -1.104 7.690 0.159 764 HD1 PHE 98 1HD PHE 98 2.524 6.798 0.404 765 HD2 PHE 98 2HD PHE 98 -1.468 5.777 1.636 766 HE1 PHE 98 1HE PHE 98 3.451 5.233 2.082 767 HE2 PHE 98 2HE PHE 98 -0.484 4.212 3.361 768 HZ PHE 98 HZ PHE 98 1.931 3.933 3.539 769 H LYS 99 H LYS 99 1.757 8.251 -2.536 770 HA LYS 99 HA LYS 99 3.644 5.949 -2.827 771 HB2 LYS 99 1HB LYS 99 3.576 8.679 -4.130 772 HB3 LYS 99 2HB LYS 99 4.989 7.679 -4.142 773 HG2 LYS 99 1HG LYS 99 4.110 6.075 -5.541 774 HG3 LYS 99 2HG LYS 99 2.412 6.499 -5.179 775 HD2 LYS 99 1HD LYS 99 2.588 8.553 -6.386 776 HD3 LYS 99 2HD LYS 99 4.336 8.367 -6.602 777 HE2 LYS 99 1HE LYS 99 3.140 7.932 -8.659 778 HE3 LYS 99 2HE LYS 99 3.972 6.477 -8.096 779 HZ1 LYS 99 3HZ LYS 99 1.123 6.945 -7.551 780 HZ2 LYS 99 1HZ LYS 99 1.678 6.162 -8.896 781 HZ3 LYS 99 2HZ LYS 99 2.021 5.535 -7.412 782 H MET 100 H MET 100 5.703 6.232 -1.932 783 HA MET 100 HA MET 100 6.125 8.560 -0.169 784 HB2 MET 100 1HB MET 100 7.029 6.903 1.535 785 HB3 MET 100 2HB MET 100 5.282 7.081 1.437 786 HG2 MET 100 1HG MET 100 4.982 5.038 0.257 787 HG3 MET 100 2HG MET 100 6.692 4.827 -0.032 788 HE1 MET 100 3HE MET 100 8.379 4.839 1.983 789 HE2 MET 100 1HE MET 100 7.586 5.671 3.343 790 HE3 MET 100 2HE MET 100 8.082 3.978 3.502 791 H GLU 101 H GLU 101 8.236 9.075 0.115 792 HA GLU 101 HA GLU 101 10.181 8.154 -1.841 793 HB2 GLU 101 1HB GLU 101 9.948 10.542 -1.164 794 HB3 GLU 101 2HB GLU 101 10.362 10.099 0.498 795 HG2 GLU 101 1HG GLU 101 12.607 9.389 -0.220 796 HG3 GLU 101 2HG GLU 101 12.179 9.683 -1.906 797 H ILE 102 H ILE 102 11.903 6.792 -1.294 798 HA ILE 102 HA ILE 102 11.540 5.321 1.197 799 HB ILE 102 HB ILE 102 13.057 3.678 0.125 800 HG12 ILE 102 1HG1 ILE 102 12.274 4.812 -2.528 801 HG13 ILE 102 2HG1 ILE 102 13.756 5.407 -1.762 802 HG21 ILE 102 1HG2 ILE 102 10.613 3.359 0.317 803 HG22 ILE 102 2HG2 ILE 102 10.360 4.255 -1.189 804 HG23 ILE 102 3HG2 ILE 102 11.200 2.687 -1.214 805 HD11 ILE 102 3HD1 ILE 102 13.228 2.515 -2.452 806 HD12 ILE 102 1HD1 ILE 102 14.428 3.633 -3.164 807 HD13 ILE 102 2HD1 ILE 102 14.576 3.156 -1.472 808 H SER 103 H SER 103 12.728 5.999 2.922 809 HA SER 103 HA SER 103 15.303 7.302 2.612 810 HB2 SER 103 1HB SER 103 14.023 6.002 5.056 811 HB3 SER 103 2HB SER 103 15.403 7.104 5.049 812 HG SER 103 HG SER 103 13.867 8.591 3.897 813 H ASP 104 H ASP 104 14.190 3.938 3.151 814 HA ASP 104 HA ASP 104 17.029 3.027 3.405 815 HB2 ASP 104 1HB ASP 104 14.570 2.406 5.040 816 HB3 ASP 104 2HB ASP 104 15.801 1.174 4.834 817 H GLU 105 H GLU 105 16.973 2.645 1.059 818 HA GLU 105 HA GLU 105 15.122 0.713 0.005 819 HB2 GLU 105 1HB GLU 105 15.874 1.571 -1.847 820 HB3 GLU 105 2HB GLU 105 17.143 2.427 -1.005 821 HG2 GLU 105 1HG GLU 105 18.565 0.334 -1.261 822 HG3 GLU 105 2HG GLU 105 17.268 -0.280 -2.324 823 H GLY 106 H GLY 106 17.419 0.239 2.335 824 HA2 GLY 106 1HA GLY 106 18.412 -2.414 1.392 825 HA3 GLY 106 2HA GLY 106 18.881 -1.599 2.881 826 H GLU 107 H GLU 107 16.081 -0.926 3.613 827 HA GLU 107 HA GLU 107 15.308 -3.352 4.998 828 HB2 GLU 107 1HB GLU 107 14.145 -0.573 4.635 829 HB3 GLU 107 2HB GLU 107 13.216 -1.831 5.414 830 HG2 GLU 107 1HG GLU 107 15.996 -1.012 6.347 831 HG3 GLU 107 2HG GLU 107 14.500 -0.327 6.984 832 H LEU 108 H LEU 108 14.897 -2.395 1.741 833 HA LEU 108 HA LEU 108 12.325 -3.632 1.246 834 HB2 LEU 108 1HB LEU 108 14.758 -3.427 -0.520 835 HB3 LEU 108 2HB LEU 108 13.163 -3.902 -1.065 836 HG LEU 108 HG LEU 108 14.201 -1.197 -0.365 837 HD11 LEU 108 1HD1 LEU 108 13.392 -0.622 -2.538 838 HD12 LEU 108 2HD1 LEU 108 14.330 -2.100 -2.688 839 HD13 LEU 108 3HD1 LEU 108 12.554 -2.206 -2.712 840 HD21 LEU 108 3HD2 LEU 108 12.282 -1.081 0.858 841 HD22 LEU 108 1HD2 LEU 108 11.900 -0.273 -0.652 842 HD23 LEU 108 2HD2 LEU 108 11.289 -1.930 -0.370 843 H GLU 109 H GLU 109 15.622 -4.937 1.876 844 HA GLU 109 HA GLU 109 14.914 -7.570 0.794 845 HB2 GLU 109 1HB GLU 109 17.239 -6.761 2.553 846 HB3 GLU 109 2HB GLU 109 16.995 -8.307 1.740 847 HG2 GLU 109 1HG GLU 109 16.732 -6.762 -0.426 848 HG3 GLU 109 2HG GLU 109 17.658 -5.614 0.542 849 H ASP 110 H ASP 110 14.136 -5.853 3.654 850 HA ASP 110 HA ASP 110 13.788 -8.239 5.330 851 HB2 ASP 110 1HB ASP 110 14.466 -5.840 6.066 852 HB3 ASP 110 2HB ASP 110 12.759 -5.440 5.849 853 H LEU 111 H LEU 111 12.123 -6.788 2.761 854 HA LEU 111 HA LEU 111 9.392 -7.392 3.692 855 HB2 LEU 111 1HB LEU 111 10.504 -6.554 0.973 856 HB3 LEU 111 2HB LEU 111 8.811 -6.743 1.336 857 HG LEU 111 HG LEU 111 10.644 -4.650 2.554 858 HD11 LEU 111 1HD1 LEU 111 10.031 -4.225 0.230 859 HD12 LEU 111 2HD1 LEU 111 8.306 -4.536 0.592 860 HD13 LEU 111 3HD1 LEU 111 9.132 -3.138 1.296 861 HD21 LEU 111 3HD2 LEU 111 9.000 -5.271 4.254 862 HD22 LEU 111 1HD2 LEU 111 8.547 -3.725 3.549 863 HD23 LEU 111 2HD2 LEU 111 7.680 -5.196 3.045 864 H LEU 112 H LEU 112 8.079 -8.591 1.967 865 HA LEU 112 HA LEU 112 9.257 -11.279 1.633 866 HB2 LEU 112 1HB LEU 112 6.475 -10.109 1.245 867 HB3 LEU 112 2HB LEU 112 6.880 -11.794 0.912 868 HG LEU 112 HG LEU 112 7.461 -10.601 3.657 869 HD11 LEU 112 1HD1 LEU 112 5.279 -11.454 4.343 870 HD12 LEU 112 2HD1 LEU 112 5.202 -10.069 3.234 871 HD13 LEU 112 3HD1 LEU 112 4.828 -11.720 2.645 872 HD21 LEU 112 3HD2 LEU 112 8.403 -12.854 3.079 873 HD22 LEU 112 1HD2 LEU 112 7.260 -12.889 4.421 874 HD23 LEU 112 2HD2 LEU 112 6.735 -13.438 2.814 875 H ASP 113 H ASP 113 9.944 -11.976 -0.280 876 HA ASP 113 HA ASP 113 9.440 -10.636 -2.803 877 HB2 ASP 113 1HB ASP 113 10.305 -12.753 -3.776 878 HB3 ASP 113 2HB ASP 113 11.426 -11.981 -2.696 879 H GLU 114 H GLU 114 8.354 -12.021 -4.393 880 HA GLU 114 HA GLU 114 5.589 -11.929 -3.705 881 HB2 GLU 114 1HB GLU 114 6.698 -11.298 -5.867 882 HB3 GLU 114 2HB GLU 114 6.923 -13.021 -6.207 883 HG2 GLU 114 1HG GLU 114 4.579 -13.408 -6.348 884 HG3 GLU 114 2HG GLU 114 4.174 -11.850 -5.595 885 H GLN 115 H GLN 115 7.883 -14.664 -4.249 886 HA GLN 115 HA GLN 115 5.885 -16.693 -4.164 887 HB2 GLN 115 1HB GLN 115 7.931 -17.310 -5.151 888 HB3 GLN 115 2HB GLN 115 8.910 -16.474 -3.936 889 HG2 GLN 115 1HG GLN 115 8.389 -18.133 -2.255 890 HG3 GLN 115 2HG GLN 115 7.314 -18.976 -3.391 891 HE21 GLN 115 1HE2 GLN 115 9.146 -20.431 -2.150 892 HE22 GLN 115 2HE2 GLN 115 10.240 -21.041 -3.356 893 H ALA 116 H ALA 116 7.892 -14.942 -1.767 894 HA ALA 116 HA ALA 116 7.153 -16.660 0.475 895 HB1 ALA 116 1HB ALA 116 8.307 -13.832 0.499 896 HB2 ALA 116 2HB ALA 116 8.250 -14.985 1.854 897 HB3 ALA 116 3HB ALA 116 9.256 -15.334 0.456 898 H TYR 117 H TYR 117 5.931 -13.638 -0.984 899 HA TYR 117 HA TYR 117 3.907 -13.126 1.003 900 HB2 TYR 117 1HB TYR 117 4.525 -11.431 -0.554 901 HB3 TYR 117 2HB TYR 117 4.207 -12.458 -1.938 902 HD1 TYR 117 1HD TYR 117 2.517 -10.696 0.906 903 HD2 TYR 117 2HD TYR 117 2.089 -12.546 -2.977 904 HE1 TYR 117 1HE TYR 117 0.164 -9.965 0.820 905 HE2 TYR 117 2HE TYR 117 -0.248 -11.814 -3.085 906 HH TYR 117 HH TYR 117 -2.043 -11.318 -1.483 907 H GLN 118 H GLN 118 3.860 -15.110 -2.007 908 HA GLN 118 HA GLN 118 1.234 -16.101 -1.738 909 HB2 GLN 118 1HB GLN 118 1.876 -16.861 -3.735 910 HB3 GLN 118 2HB GLN 118 3.572 -16.573 -3.373 911 HG2 GLN 118 1HG GLN 118 3.763 -18.770 -2.312 912 HG3 GLN 118 2HG GLN 118 2.081 -19.102 -2.643 913 HE21 GLN 118 1HE2 GLN 118 1.507 -19.555 -4.925 914 HE22 GLN 118 2HE2 GLN 118 2.777 -20.104 -6.003 915 H GLU 119 H GLU 119 4.284 -17.474 -0.448 916 HA GLU 119 HA GLU 119 3.119 -19.659 0.802 917 HB2 GLU 119 1HB GLU 119 5.704 -18.873 0.628 918 HB3 GLU 119 2HB GLU 119 5.410 -18.382 2.291 919 HG2 GLU 119 1HG GLU 119 4.390 -20.673 2.698 920 HG3 GLU 119 2HG GLU 119 4.904 -21.132 1.066 921 H PHE 120 H PHE 120 3.643 -16.418 2.193 922 HA PHE 120 HA PHE 120 2.446 -16.905 4.740 923 HB2 PHE 120 1HB PHE 120 3.861 -14.961 4.208 924 HB3 PHE 120 2HB PHE 120 2.630 -14.349 3.107 925 HD1 PHE 120 1HD PHE 120 2.673 -15.708 6.650 926 HD2 PHE 120 2HD PHE 120 1.500 -12.486 4.023 927 HE1 PHE 120 1HE PHE 120 1.486 -14.648 8.496 928 HE2 PHE 120 2HE PHE 120 0.198 -11.478 5.880 929 HZ PHE 120 HZ PHE 120 0.255 -12.457 8.117 930 H CYS 121 H CYS 121 0.966 -15.962 1.590 931 HA CYS 121 HA CYS 121 -1.653 -15.586 2.609 932 HB2 CYS 121 1HB CYS 121 -0.848 -14.869 0.355 933 HB3 CYS 121 2HB CYS 121 -0.851 -16.566 -0.166 934 HG CYS 121 HG CYS 121 -2.961 -15.077 -1.063 935 H ALA 122 H ALA 122 0.082 -18.621 1.898 936 HA ALA 122 HA ALA 122 -2.343 -20.251 1.949 937 HB1 ALA 122 1HB ALA 122 0.531 -21.078 2.500 938 HB2 ALA 122 2HB ALA 122 -0.853 -22.137 2.148 939 HB3 ALA 122 3HB ALA 122 -0.238 -21.040 0.891 940 H GLN 123 H GLN 123 -0.029 -19.005 4.336 941 HA GLN 123 HA GLN 123 -0.933 -20.742 6.452 942 HB2 GLN 123 1HB GLN 123 1.012 -18.403 6.354 943 HB3 GLN 123 2HB GLN 123 0.696 -19.361 7.812 944 HG2 GLN 123 1HG GLN 123 1.360 -21.419 6.689 945 HG3 GLN 123 2HG GLN 123 1.621 -20.554 5.173 946 HE21 GLN 123 1HE2 GLN 123 3.596 -21.981 5.753 947 HE22 GLN 123 2HE2 GLN 123 5.000 -21.107 6.373 948 H GLU 124 H GLU 124 -2.449 -18.069 5.163 949 HA GLU 124 HA GLU 124 -3.876 -17.511 7.735 950 HB2 GLU 124 1HB GLU 124 -3.184 -15.739 5.396 951 HB3 GLU 124 2HB GLU 124 -4.638 -15.427 6.372 952 HG2 GLU 124 1HG GLU 124 -3.156 -15.475 8.417 953 HG3 GLU 124 2HG GLU 124 -1.750 -15.515 7.350 Start of MODEL 14 1 H1 MET 1 H MET 1 16.170 1.486 -12.417 2 HA MET 1 HA MET 1 16.540 -0.077 -10.579 3 HB2 MET 1 1HB MET 1 15.725 2.360 -8.949 4 HB3 MET 1 2HB MET 1 15.682 0.717 -8.295 5 HG2 MET 1 1HG MET 1 18.050 0.391 -8.825 6 HG3 MET 1 2HG MET 1 18.152 2.015 -9.509 7 HE1 MET 1 3HE MET 1 20.295 2.048 -6.145 8 HE2 MET 1 1HE MET 1 20.037 0.628 -7.175 9 HE3 MET 1 2HE MET 1 20.375 2.208 -7.913 10 H LYS 2 H LYS 2 14.717 -1.405 -9.679 11 HA LYS 2 HA LYS 2 12.030 -0.505 -9.786 12 HB2 LYS 2 1HB LYS 2 12.995 -1.633 -12.324 13 HB3 LYS 2 2HB LYS 2 11.700 -2.603 -11.626 14 HG2 LYS 2 1HG LYS 2 10.222 -0.669 -11.497 15 HG3 LYS 2 2HG LYS 2 11.498 0.376 -12.135 16 HD2 LYS 2 1HD LYS 2 11.582 -1.177 -14.181 17 HD3 LYS 2 2HD LYS 2 10.066 -1.883 -13.602 18 HE2 LYS 2 1HE LYS 2 10.603 1.066 -14.180 19 HE3 LYS 2 2HE LYS 2 9.806 -0.030 -15.305 20 HZ1 LYS 2 3HZ LYS 2 7.913 -0.114 -13.929 21 HZ2 LYS 2 1HZ LYS 2 8.689 0.453 -12.604 22 HZ3 LYS 2 2HZ LYS 2 8.422 1.467 -13.845 23 H MET 3 H MET 3 11.294 -1.657 -7.978 24 HA MET 3 HA MET 3 11.683 -4.539 -7.942 25 HB2 MET 3 1HB MET 3 13.730 -3.707 -6.923 26 HB3 MET 3 2HB MET 3 12.813 -2.682 -5.802 27 HG2 MET 3 1HG MET 3 11.821 -4.644 -4.810 28 HG3 MET 3 2HG MET 3 12.629 -5.711 -5.953 29 HE1 MET 3 3HE MET 3 15.662 -3.638 -5.479 30 HE2 MET 3 1HE MET 3 14.643 -2.647 -4.408 31 HE3 MET 3 2HE MET 3 15.983 -3.583 -3.733 32 H LYS 4 H LYS 4 9.895 -5.483 -6.779 33 HA LYS 4 HA LYS 4 8.085 -3.560 -5.435 34 HB2 LYS 4 1HB LYS 4 6.379 -5.213 -6.856 35 HB3 LYS 4 2HB LYS 4 6.686 -3.513 -7.097 36 HG2 LYS 4 1HG LYS 4 8.407 -4.086 -8.823 37 HG3 LYS 4 2HG LYS 4 8.023 -5.803 -8.582 38 HD2 LYS 4 1HD LYS 4 6.674 -5.209 -10.428 39 HD3 LYS 4 2HD LYS 4 5.564 -5.124 -9.079 40 HE2 LYS 4 1HE LYS 4 5.076 -3.107 -10.118 41 HE3 LYS 4 2HE LYS 4 6.289 -2.594 -8.956 42 HZ1 LYS 4 3HZ LYS 4 7.911 -3.020 -10.899 43 HZ2 LYS 4 1HZ LYS 4 6.545 -2.923 -11.835 44 HZ3 LYS 4 2HZ LYS 4 6.994 -1.638 -10.921 45 H LYS 5 H LYS 5 8.923 -4.511 -3.478 46 HA LYS 5 HA LYS 5 8.223 -7.336 -3.070 47 HB2 LYS 5 1HB LYS 5 9.067 -5.308 -0.984 48 HB3 LYS 5 2HB LYS 5 9.056 -7.006 -0.786 49 HG2 LYS 5 1HG LYS 5 11.006 -7.347 -1.746 50 HG3 LYS 5 2HG LYS 5 10.569 -6.494 -3.214 51 HD2 LYS 5 1HD LYS 5 11.495 -5.180 -0.662 52 HD3 LYS 5 2HD LYS 5 12.453 -5.481 -2.114 53 HE2 LYS 5 1HE LYS 5 11.882 -3.347 -2.582 54 HE3 LYS 5 2HE LYS 5 10.441 -4.072 -3.245 55 HZ1 LYS 5 3HZ LYS 5 10.724 -2.972 -0.505 56 HZ2 LYS 5 1HZ LYS 5 9.967 -2.191 -1.728 57 HZ3 LYS 5 2HZ LYS 5 9.334 -3.586 -1.103 58 H TYR 6 H TYR 6 7.087 -7.922 -0.877 59 HA TYR 6 HA TYR 6 4.472 -6.510 -0.689 60 HB2 TYR 6 1HB TYR 6 5.059 -9.482 -0.731 61 HB3 TYR 6 2HB TYR 6 3.469 -8.770 -0.489 62 HD1 TYR 6 1HD TYR 6 6.206 -9.372 -2.933 63 HD2 TYR 6 2HD TYR 6 2.149 -7.986 -2.410 64 HE1 TYR 6 1HE TYR 6 5.934 -9.241 -5.385 65 HE2 TYR 6 2HE TYR 6 1.829 -7.977 -4.863 66 HH TYR 6 HH TYR 6 2.829 -8.479 -6.976 67 H THR 7 H THR 7 3.402 -6.859 1.452 68 HA THR 7 HA THR 7 5.453 -6.965 3.577 69 HB THR 7 HB THR 7 3.735 -5.651 4.807 70 HG1 THR 7 1HG THR 7 2.299 -5.658 2.372 71 HG21 THR 7 3HG2 THR 7 5.317 -4.324 3.482 72 HG22 THR 7 1HG2 THR 7 4.225 -4.392 2.077 73 HG23 THR 7 2HG2 THR 7 3.707 -3.592 3.578 74 H LYS 8 H LYS 8 4.110 -7.347 5.648 75 HA LYS 8 HA LYS 8 2.663 -9.924 5.527 76 HB2 LYS 8 1HB LYS 8 3.577 -8.796 8.155 77 HB3 LYS 8 2HB LYS 8 3.414 -10.449 7.611 78 HG2 LYS 8 1HG LYS 8 5.453 -10.063 6.133 79 HG3 LYS 8 2HG LYS 8 5.600 -8.456 6.851 80 HD2 LYS 8 1HD LYS 8 7.173 -9.994 7.818 81 HD3 LYS 8 2HD LYS 8 6.046 -9.388 9.052 82 HE2 LYS 8 1HE LYS 8 5.012 -11.418 9.312 83 HE3 LYS 8 2HE LYS 8 5.202 -11.842 7.621 84 HZ1 LYS 8 3HZ LYS 8 7.299 -12.014 9.735 85 HZ2 LYS 8 1HZ LYS 8 6.561 -13.270 8.990 86 HZ3 LYS 8 2HZ LYS 8 7.603 -12.350 8.166 87 H THR 9 H THR 9 1.705 -6.840 5.150 88 HA THR 9 HA THR 9 -0.736 -7.130 6.803 89 HB THR 9 HB THR 9 -0.822 -4.654 6.853 90 HG1 THR 9 1HG THR 9 0.506 -3.673 5.485 91 HG21 THR 9 3HG2 THR 9 1.762 -5.769 8.000 92 HG22 THR 9 1HG2 THR 9 0.836 -4.369 8.572 93 HG23 THR 9 2HG2 THR 9 0.153 -5.996 8.711 94 H HIS 10 H HIS 10 -0.353 -8.336 4.120 95 HA HIS 10 HA HIS 10 -1.434 -8.510 2.177 96 HB2 HIS 10 1HB HIS 10 -3.754 -6.834 3.052 97 HB3 HIS 10 2HB HIS 10 -3.747 -8.371 2.212 98 HD1 HIS 10 1HD HIS 10 -3.644 -10.627 3.845 99 HD2 HIS 10 2HD HIS 10 -3.933 -6.811 5.683 100 HE1 HIS 10 1HE HIS 10 -4.398 -11.028 6.232 101 HE2 HIS 10 2HE HIS 10 -4.518 -8.790 7.399 102 H GLU 11 H GLU 11 0.453 -6.548 2.016 103 HA GLU 11 HA GLU 11 -0.726 -4.235 0.539 104 HB2 GLU 11 1HB GLU 11 0.349 -4.253 3.170 105 HB3 GLU 11 2HB GLU 11 1.622 -3.581 2.151 106 HG2 GLU 11 1HG GLU 11 0.159 -1.803 1.404 107 HG3 GLU 11 2HG GLU 11 -1.202 -2.514 2.309 108 H TRP 12 H TRP 12 0.547 -3.564 -1.192 109 HA TRP 12 HA TRP 12 3.046 -5.087 -1.748 110 HB2 TRP 12 1HB TRP 12 2.620 -4.655 -4.117 111 HB3 TRP 12 2HB TRP 12 1.393 -5.659 -3.387 112 HD1 TRP 12 HD TRP 12 -1.046 -4.899 -3.504 113 HE1 TRP 12 1HE TRP 12 -2.324 -2.974 -4.585 114 HE3 TRP 12 3HE TRP 12 2.920 -1.948 -4.891 115 HZ2 TRP 12 2HZ TRP 12 -1.712 -0.553 -6.004 116 HZ3 TRP 12 3HZ TRP 12 2.480 0.092 -6.263 117 HH2 TRP 12 HH TRP 12 0.203 0.774 -6.824 118 H VAL 13 H VAL 13 4.607 -3.820 -3.051 119 HA VAL 13 HA VAL 13 4.656 -0.913 -2.473 120 HB VAL 13 HB VAL 13 7.071 -2.728 -2.133 121 HG11 VAL 13 1HG1 VAL 13 7.505 -0.397 -2.294 122 HG12 VAL 13 2HG1 VAL 13 6.399 -0.059 -0.922 123 HG13 VAL 13 3HG1 VAL 13 7.894 -0.979 -0.682 124 HG21 VAL 13 3HG2 VAL 13 5.540 -3.725 -0.494 125 HG22 VAL 13 1HG2 VAL 13 6.722 -2.733 0.355 126 HG23 VAL 13 2HG2 VAL 13 5.071 -2.122 0.074 127 H SER 14 H SER 14 5.661 0.176 -4.261 128 HA SER 14 HA SER 14 6.908 -1.447 -6.439 129 HB2 SER 14 1HB SER 14 4.445 0.145 -6.346 130 HB3 SER 14 2HB SER 14 5.526 0.648 -7.612 131 HG SER 14 HG SER 14 4.417 -1.980 -7.189 132 H ILE 15 H ILE 15 8.973 -0.782 -5.827 133 HA ILE 15 HA ILE 15 9.679 2.081 -5.703 134 HB ILE 15 HB ILE 15 10.837 -0.599 -4.912 135 HG12 ILE 15 1HG1 ILE 15 11.479 1.791 -3.320 136 HG13 ILE 15 2HG1 ILE 15 9.780 1.707 -3.650 137 HG21 ILE 15 1HG2 ILE 15 12.715 1.627 -5.595 138 HG22 ILE 15 2HG2 ILE 15 13.099 0.251 -4.564 139 HG23 ILE 15 3HG2 ILE 15 12.668 -0.000 -6.260 140 HD11 ILE 15 3HD1 ILE 15 11.409 -0.371 -2.208 141 HD12 ILE 15 1HD1 ILE 15 10.056 0.579 -1.610 142 HD13 ILE 15 2HD1 ILE 15 9.754 -0.680 -2.830 143 H GLU 16 H GLU 16 10.420 3.145 -7.408 144 HA GLU 16 HA GLU 16 11.629 1.613 -9.650 145 HB2 GLU 16 1HB GLU 16 10.449 3.248 -11.240 146 HB3 GLU 16 2HB GLU 16 9.646 1.801 -10.686 147 HG2 GLU 16 1HG GLU 16 8.362 3.186 -9.034 148 HG3 GLU 16 2HG GLU 16 9.165 4.645 -9.649 149 H ASP 17 H ASP 17 11.800 4.415 -7.579 150 HA ASP 17 HA ASP 17 14.435 4.787 -8.688 151 HB2 ASP 17 1HB ASP 17 12.649 6.219 -10.090 152 HB3 ASP 17 2HB ASP 17 12.756 7.315 -8.747 153 H LYS 18 H LYS 18 12.068 6.794 -6.919 154 HA LYS 18 HA LYS 18 13.552 6.439 -4.374 155 HB2 LYS 18 1HB LYS 18 12.838 9.253 -5.106 156 HB3 LYS 18 2HB LYS 18 14.097 8.668 -4.044 157 HG2 LYS 18 1HG LYS 18 15.455 7.962 -6.016 158 HG3 LYS 18 2HG LYS 18 14.192 8.579 -7.098 159 HD2 LYS 18 1HD LYS 18 14.530 10.839 -6.384 160 HD3 LYS 18 2HD LYS 18 15.723 10.331 -5.148 161 HE2 LYS 18 1HE LYS 18 17.230 9.481 -6.815 162 HE3 LYS 18 2HE LYS 18 16.009 9.581 -8.093 163 HZ1 LYS 18 3HZ LYS 18 16.139 11.913 -8.076 164 HZ2 LYS 18 1HZ LYS 18 17.075 11.946 -6.707 165 HZ3 LYS 18 2HZ LYS 18 17.669 11.353 -8.127 166 H VAL 19 H VAL 19 10.740 5.885 -5.643 167 HA VAL 19 HA VAL 19 9.227 6.738 -3.300 168 HB VAL 19 HB VAL 19 8.429 7.334 -6.188 169 HG11 VAL 19 1HG1 VAL 19 6.783 7.609 -3.655 170 HG12 VAL 19 2HG1 VAL 19 6.330 8.188 -5.283 171 HG13 VAL 19 3HG1 VAL 19 6.480 6.456 -4.999 172 HG21 VAL 19 3HG2 VAL 19 9.740 9.191 -5.284 173 HG22 VAL 19 1HG2 VAL 19 8.034 9.664 -5.170 174 HG23 VAL 19 2HG2 VAL 19 8.887 9.096 -3.723 175 H ALA 20 H ALA 20 8.095 4.987 -2.625 176 HA ALA 20 HA ALA 20 7.566 2.702 -4.481 177 HB1 ALA 20 1HB ALA 20 6.658 1.557 -2.557 178 HB2 ALA 20 2HB ALA 20 8.296 2.088 -2.092 179 HB3 ALA 20 3HB ALA 20 6.871 2.966 -1.519 180 H THR 21 H THR 21 5.678 2.727 -5.452 181 HA THR 21 HA THR 21 3.341 4.180 -4.352 182 HB THR 21 HB THR 21 3.449 2.057 -6.524 183 HG1 THR 21 1HG THR 21 4.149 3.530 -7.825 184 HG21 THR 21 3HG2 THR 21 1.433 4.269 -5.925 185 HG22 THR 21 1HG2 THR 21 1.330 3.077 -7.238 186 HG23 THR 21 2HG2 THR 21 1.207 2.549 -5.547 187 H VAL 22 H VAL 22 2.054 3.408 -2.820 188 HA VAL 22 HA VAL 22 2.324 0.606 -1.881 189 HB VAL 22 HB VAL 22 1.054 3.000 -0.460 190 HG11 VAL 22 1HG1 VAL 22 1.331 1.575 1.559 191 HG12 VAL 22 2HG1 VAL 22 0.324 0.789 0.353 192 HG13 VAL 22 3HG1 VAL 22 2.007 0.278 0.550 193 HG21 VAL 22 3HG2 VAL 22 3.093 3.075 0.965 194 HG22 VAL 22 1HG2 VAL 22 3.912 1.993 -0.188 195 HG23 VAL 22 2HG2 VAL 22 3.380 3.616 -0.686 196 H GLY 23 H GLY 23 0.479 -0.668 -1.961 197 HA2 GLY 23 1HA GLY 23 -2.140 0.527 -2.034 198 HA3 GLY 23 2HA GLY 23 -1.783 -0.476 -3.426 199 H ILE 24 H ILE 24 -3.721 -1.284 -1.717 200 HA ILE 24 HA ILE 24 -2.574 -3.457 -0.056 201 HB ILE 24 HB ILE 24 -5.000 -4.085 0.263 202 HG12 ILE 24 1HG1 ILE 24 -5.619 -1.194 -0.420 203 HG13 ILE 24 2HG1 ILE 24 -5.806 -2.465 -1.635 204 HG21 ILE 24 1HG2 ILE 24 -3.828 -1.520 1.387 205 HG22 ILE 24 2HG2 ILE 24 -5.203 -2.379 2.100 206 HG23 ILE 24 3HG2 ILE 24 -3.633 -3.171 2.014 207 HD11 ILE 24 3HD1 ILE 24 -7.858 -1.786 -0.162 208 HD12 ILE 24 1HD1 ILE 24 -7.577 -3.488 -0.528 209 HD13 ILE 24 2HD1 ILE 24 -7.139 -2.813 1.062 210 H THR 25 H THR 25 -3.051 -5.572 -0.525 211 HA THR 25 HA THR 25 -2.941 -6.257 -3.374 212 HB THR 25 HB THR 25 -2.710 -8.583 -2.442 213 HG1 THR 25 1HG THR 25 -2.874 -7.208 0.033 214 HG21 THR 25 3HG2 THR 25 -0.487 -8.216 -1.377 215 HG22 THR 25 1HG2 THR 25 -0.691 -7.293 -2.872 216 HG23 THR 25 2HG2 THR 25 -0.816 -6.479 -1.298 217 H ASN 26 H ASN 26 -4.353 -8.012 -4.191 218 HA ASN 26 HA ASN 26 -7.010 -7.178 -4.199 219 HB2 ASN 26 1HB ASN 26 -7.131 -8.551 -5.875 220 HB3 ASN 26 2HB ASN 26 -5.454 -8.959 -5.642 221 HD21 ASN 26 1HD2 ASN 26 -8.882 -9.987 -5.406 222 HD22 ASN 26 2HD2 ASN 26 -8.541 -11.649 -5.105 223 H HIS 27 H HIS 27 -5.605 -9.708 -2.192 224 HA HIS 27 HA HIS 27 -7.929 -10.886 -1.171 225 HB2 HIS 27 1HB HIS 27 -5.554 -11.521 -0.673 226 HB3 HIS 27 2HB HIS 27 -5.502 -10.238 0.526 227 HD1 HIS 27 1HD HIS 27 -7.231 -13.613 -0.202 228 HD2 HIS 27 2HD HIS 27 -6.655 -10.782 2.897 229 HE1 HIS 27 1HE HIS 27 -7.891 -14.778 2.008 230 HE2 HIS 27 2HE HIS 27 -7.562 -13.074 3.877 231 H ALA 28 H ALA 28 -6.623 -7.702 -0.304 232 HA ALA 28 HA ALA 28 -8.312 -7.331 2.011 233 HB1 ALA 28 1HB ALA 28 -6.783 -5.418 0.236 234 HB2 ALA 28 2HB ALA 28 -7.504 -5.011 1.829 235 HB3 ALA 28 3HB ALA 28 -6.174 -6.182 1.712 236 H GLN 29 H GLN 29 -8.540 -6.182 -1.481 237 HA GLN 29 HA GLN 29 -11.088 -4.972 -1.051 238 HB2 GLN 29 1HB GLN 29 -11.364 -4.890 -3.436 239 HB3 GLN 29 2HB GLN 29 -9.778 -4.407 -2.955 240 HG2 GLN 29 1HG GLN 29 -9.560 -5.440 -4.981 241 HG3 GLN 29 2HG GLN 29 -8.879 -6.500 -3.807 242 HE21 GLN 29 1HE2 GLN 29 -9.922 -8.594 -3.517 243 HE22 GLN 29 2HE2 GLN 29 -11.140 -9.164 -4.638 244 H GLU 30 H GLU 30 -10.194 -8.364 -1.537 245 HA GLU 30 HA GLU 30 -12.679 -9.221 -2.458 246 HB2 GLU 30 1HB GLU 30 -11.432 -10.978 -2.778 247 HB3 GLU 30 2HB GLU 30 -10.098 -10.267 -1.960 248 HG2 GLU 30 1HG GLU 30 -10.704 -11.295 0.104 249 HG3 GLU 30 2HG GLU 30 -12.203 -11.922 -0.579 250 H GLN 31 H GLN 31 -11.392 -9.359 0.898 251 HA GLN 31 HA GLN 31 -13.864 -10.026 2.032 252 HB2 GLN 31 1HB GLN 31 -12.847 -8.846 4.180 253 HB3 GLN 31 2HB GLN 31 -12.501 -10.474 3.568 254 HG2 GLN 31 1HG GLN 31 -10.568 -9.906 2.589 255 HG3 GLN 31 2HG GLN 31 -10.749 -8.151 2.850 256 HE21 GLN 31 1HE2 GLN 31 -10.895 -11.116 4.963 257 HE22 GLN 31 2HE2 GLN 31 -9.980 -10.399 6.268 258 H LEU 32 H LEU 32 -12.332 -6.779 1.634 259 HA LEU 32 HA LEU 32 -14.389 -5.380 3.103 260 HB2 LEU 32 1HB LEU 32 -12.492 -4.277 0.985 261 HB3 LEU 32 2HB LEU 32 -13.570 -3.356 1.964 262 HG LEU 32 HG LEU 32 -10.915 -4.398 2.610 263 HD11 LEU 32 1HD1 LEU 32 -11.651 -1.968 2.592 264 HD12 LEU 32 2HD1 LEU 32 -12.520 -2.299 4.114 265 HD13 LEU 32 3HD1 LEU 32 -10.778 -2.481 4.027 266 HD21 LEU 32 3HD2 LEU 32 -11.973 -5.976 4.098 267 HD22 LEU 32 1HD2 LEU 32 -11.329 -4.647 5.077 268 HD23 LEU 32 2HD2 LEU 32 -13.062 -4.731 4.733 269 H GLY 33 H GLY 33 -14.148 -6.172 -0.421 270 HA2 GLY 33 1HA GLY 33 -15.853 -6.318 -1.946 271 HA3 GLY 33 2HA GLY 33 -17.012 -6.054 -0.667 272 H ASP 34 H ASP 34 -18.105 -4.213 -0.847 273 HA ASP 34 HA ASP 34 -17.351 -2.032 -2.585 274 HB2 ASP 34 1HB ASP 34 -19.567 -2.375 -0.585 275 HB3 ASP 34 2HB ASP 34 -19.325 -0.911 -1.524 276 H VAL 35 H VAL 35 -15.667 -0.790 -2.003 277 HA VAL 35 HA VAL 35 -15.455 0.191 0.736 278 HB VAL 35 HB VAL 35 -13.883 1.242 -1.593 279 HG11 VAL 35 1HG1 VAL 35 -13.057 0.877 1.329 280 HG12 VAL 35 2HG1 VAL 35 -12.253 1.855 0.103 281 HG13 VAL 35 3HG1 VAL 35 -13.765 2.389 0.784 282 HG21 VAL 35 3HG2 VAL 35 -13.322 -1.123 -1.629 283 HG22 VAL 35 1HG2 VAL 35 -12.010 -0.148 -0.897 284 HG23 VAL 35 2HG2 VAL 35 -13.098 -1.071 0.184 285 H VAL 36 H VAL 36 -15.021 2.833 -0.066 286 HA VAL 36 HA VAL 36 -17.535 3.977 -0.929 287 HB VAL 36 HB VAL 36 -18.047 2.619 1.016 288 HG11 VAL 36 1HG1 VAL 36 -17.553 2.731 3.111 289 HG12 VAL 36 2HG1 VAL 36 -16.057 2.571 2.175 290 HG13 VAL 36 3HG1 VAL 36 -16.522 4.060 2.990 291 HG21 VAL 36 3HG2 VAL 36 -18.381 5.575 1.550 292 HG22 VAL 36 1HG2 VAL 36 -19.579 4.383 0.839 293 HG23 VAL 36 2HG2 VAL 36 -19.062 4.277 2.583 294 H TYR 37 H TYR 37 -14.730 3.847 1.280 295 HA TYR 37 HA TYR 37 -13.914 6.568 0.403 296 HB2 TYR 37 1HB TYR 37 -15.495 6.861 2.311 297 HB3 TYR 37 2HB TYR 37 -14.497 5.829 3.292 298 HD1 TYR 37 1HD TYR 37 -14.113 8.885 1.095 299 HD2 TYR 37 2HD TYR 37 -12.920 6.910 4.759 300 HE1 TYR 37 1HE TYR 37 -12.606 10.766 1.587 301 HE2 TYR 37 2HE TYR 37 -11.360 8.779 5.207 302 HH TYR 37 HH TYR 37 -10.565 11.222 2.960 303 H VAL 38 H VAL 38 -11.712 7.172 1.014 304 HA VAL 38 HA VAL 38 -10.014 5.169 2.319 305 HB VAL 38 HB VAL 38 -9.442 6.347 -0.417 306 HG11 VAL 38 1HG1 VAL 38 -7.374 5.171 -0.492 307 HG12 VAL 38 2HG1 VAL 38 -7.401 6.102 0.981 308 HG13 VAL 38 3HG1 VAL 38 -7.701 4.371 1.074 309 HG21 VAL 38 3HG2 VAL 38 -10.694 3.776 0.172 310 HG22 VAL 38 1HG2 VAL 38 -10.554 4.655 -1.332 311 HG23 VAL 38 2HG2 VAL 38 -9.232 3.610 -0.781 312 H ASP 39 H ASP 39 -8.685 6.013 3.625 313 HA ASP 39 HA ASP 39 -8.497 8.901 3.660 314 HB2 ASP 39 1HB ASP 39 -9.069 7.697 5.902 315 HB3 ASP 39 2HB ASP 39 -7.654 6.716 5.662 316 H LEU 40 H LEU 40 -6.551 9.940 3.435 317 HA LEU 40 HA LEU 40 -4.247 8.274 2.692 318 HB2 LEU 40 1HB LEU 40 -5.410 10.548 1.032 319 HB3 LEU 40 2HB LEU 40 -3.839 9.823 0.792 320 HG LEU 40 HG LEU 40 -5.170 8.950 -0.838 321 HD11 LEU 40 1HD1 LEU 40 -5.145 6.601 -0.661 322 HD12 LEU 40 2HD1 LEU 40 -3.735 7.262 0.191 323 HD13 LEU 40 3HD1 LEU 40 -5.119 6.669 1.101 324 HD21 LEU 40 3HD2 LEU 40 -7.246 7.942 -0.814 325 HD22 LEU 40 1HD2 LEU 40 -7.410 8.287 0.926 326 HD23 LEU 40 2HD2 LEU 40 -7.289 9.614 -0.242 327 HA PRO 41 HA PRO 41 -2.322 11.216 5.250 328 HB2 PRO 41 1HB PRO 41 0.337 10.862 4.615 329 HB3 PRO 41 2HB PRO 41 -0.702 9.722 5.502 330 HG2 PRO 41 1HG PRO 41 0.145 9.580 2.622 331 HG3 PRO 41 2HG PRO 41 -0.122 8.263 3.801 332 HD2 PRO 41 1HD PRO 41 -1.887 9.157 1.802 333 HD3 PRO 41 2HD PRO 41 -2.309 8.143 3.187 334 H GLU 42 H GLU 42 -0.335 12.981 5.235 335 HA GLU 42 HA GLU 42 -0.850 14.888 3.070 336 HB2 GLU 42 1HB GLU 42 0.366 14.944 5.811 337 HB3 GLU 42 2HB GLU 42 1.199 15.932 4.630 338 HG2 GLU 42 1HG GLU 42 -0.386 17.473 5.213 339 HG3 GLU 42 2HG GLU 42 -1.282 16.647 3.924 340 H VAL 43 H VAL 43 1.040 16.038 2.069 341 HA VAL 43 HA VAL 43 2.563 13.990 0.672 342 HB VAL 43 HB VAL 43 0.963 16.014 -0.116 343 HG11 VAL 43 1HG1 VAL 43 2.065 17.901 -0.975 344 HG12 VAL 43 2HG1 VAL 43 2.615 17.754 0.712 345 HG13 VAL 43 3HG1 VAL 43 3.676 17.208 -0.612 346 HG21 VAL 43 3HG2 VAL 43 1.787 15.773 -2.338 347 HG22 VAL 43 1HG2 VAL 43 3.334 15.125 -1.735 348 HG23 VAL 43 2HG2 VAL 43 1.809 14.209 -1.519 349 H GLY 44 H GLY 44 3.213 15.111 3.337 350 HA2 GLY 44 1HA GLY 44 6.140 15.407 3.052 351 HA3 GLY 44 2HA GLY 44 5.271 16.733 3.837 352 H ARG 45 H ARG 45 3.824 13.634 4.401 353 HA ARG 45 HA ARG 45 4.439 13.937 7.250 354 HB2 ARG 45 1HB ARG 45 2.131 13.382 6.260 355 HB3 ARG 45 2HB ARG 45 2.772 11.767 5.905 356 HG2 ARG 45 1HG ARG 45 3.376 11.597 8.401 357 HG3 ARG 45 2HG ARG 45 2.492 13.123 8.618 358 HD2 ARG 45 1HD ARG 45 0.518 12.015 7.569 359 HD3 ARG 45 2HD ARG 45 1.391 10.480 7.590 360 HE ARG 45 HE ARG 45 1.282 10.407 9.955 361 HH11 ARG 45 2HH2 ARG 45 -0.738 13.108 8.683 362 HH12 ARG 45 1HH2 ARG 45 -1.140 13.635 10.280 363 HH21 ARG 45 2HH1 ARG 45 0.379 10.946 11.923 364 HH22 ARG 45 1HH1 ARG 45 -0.655 12.366 12.098 365 H GLU 46 H GLU 46 5.893 12.591 8.372 366 HA GLU 46 HA GLU 46 7.476 10.653 6.795 367 HB2 GLU 46 1HB GLU 46 7.851 12.138 9.306 368 HB3 GLU 46 2HB GLU 46 8.013 10.410 9.560 369 HG2 GLU 46 1HG GLU 46 9.517 10.910 7.180 370 HG3 GLU 46 2HG GLU 46 9.799 12.294 8.237 371 H VAL 47 H VAL 47 7.500 8.393 7.334 372 HA VAL 47 HA VAL 47 5.385 7.390 9.084 373 HB VAL 47 HB VAL 47 4.478 5.928 7.402 374 HG11 VAL 47 1HG1 VAL 47 3.548 8.253 7.601 375 HG12 VAL 47 2HG1 VAL 47 4.532 8.729 6.207 376 HG13 VAL 47 3HG1 VAL 47 3.276 7.502 6.024 377 HG21 VAL 47 3HG2 VAL 47 6.321 7.237 5.351 378 HG22 VAL 47 1HG2 VAL 47 6.457 5.575 5.958 379 HG23 VAL 47 2HG2 VAL 47 5.033 6.052 5.028 380 H LYS 48 H LYS 48 5.673 4.923 9.300 381 HA LYS 48 HA LYS 48 8.528 4.125 9.112 382 HB2 LYS 48 1HB LYS 48 6.421 3.578 11.243 383 HB3 LYS 48 2HB LYS 48 7.965 2.739 11.129 384 HG2 LYS 48 1HG LYS 48 9.237 4.748 11.477 385 HG3 LYS 48 2HG LYS 48 7.804 5.759 11.238 386 HD2 LYS 48 1HD LYS 48 8.142 5.827 13.490 387 HD3 LYS 48 2HD LYS 48 6.779 4.734 13.268 388 HE2 LYS 48 1HE LYS 48 8.395 2.790 13.523 389 HE3 LYS 48 2HE LYS 48 9.679 3.985 13.820 390 HZ1 LYS 48 3HZ LYS 48 7.296 3.506 15.495 391 HZ2 LYS 48 1HZ LYS 48 8.906 3.409 15.939 392 HZ3 LYS 48 2HZ LYS 48 8.222 4.848 15.621 393 H LYS 49 H LYS 49 8.642 1.727 8.995 394 HA LYS 49 HA LYS 49 6.972 0.526 7.105 395 HB2 LYS 49 1HB LYS 49 8.360 -1.431 7.525 396 HB3 LYS 49 2HB LYS 49 9.347 0.018 7.760 397 HG2 LYS 49 1HG LYS 49 8.638 -0.231 10.315 398 HG3 LYS 49 2HG LYS 49 8.251 -1.897 9.836 399 HD2 LYS 49 1HD LYS 49 10.577 -1.971 8.803 400 HD3 LYS 49 2HD LYS 49 10.907 -0.446 9.643 401 HE2 LYS 49 1HE LYS 49 10.588 -1.499 11.795 402 HE3 LYS 49 2HE LYS 49 9.913 -2.957 11.042 403 HZ1 LYS 49 3HZ LYS 49 12.687 -2.060 10.588 404 HZ2 LYS 49 1HZ LYS 49 12.210 -3.162 11.731 405 HZ3 LYS 49 2HZ LYS 49 11.984 -3.496 10.138 406 H GLY 50 H GLY 50 5.536 1.392 9.527 407 HA2 GLY 50 1HA GLY 50 3.441 -0.316 9.283 408 HA3 GLY 50 2HA GLY 50 4.132 -0.758 10.860 409 H GLU 51 H GLU 51 2.670 1.921 8.947 410 HA GLU 51 HA GLU 51 1.848 3.301 11.419 411 HB2 GLU 51 1HB GLU 51 3.662 4.236 9.218 412 HB3 GLU 51 2HB GLU 51 2.312 5.267 9.493 413 HG2 GLU 51 1HG GLU 51 3.415 4.595 12.072 414 HG3 GLU 51 2HG GLU 51 4.725 5.034 11.012 415 H VAL 52 H VAL 52 -0.297 3.827 11.289 416 HA VAL 52 HA VAL 52 -1.906 2.653 9.172 417 HB VAL 52 HB VAL 52 -2.531 3.852 11.861 418 HG11 VAL 52 1HG1 VAL 52 -4.471 4.578 10.894 419 HG12 VAL 52 2HG1 VAL 52 -4.580 3.195 9.804 420 HG13 VAL 52 3HG1 VAL 52 -4.889 3.019 11.561 421 HG21 VAL 52 3HG2 VAL 52 -2.724 1.097 10.673 422 HG22 VAL 52 1HG2 VAL 52 -1.553 1.671 11.880 423 HG23 VAL 52 2HG2 VAL 52 -3.264 1.546 12.306 424 H VAL 53 H VAL 53 -0.379 4.645 8.009 425 HA VAL 53 HA VAL 53 -1.923 7.123 8.054 426 HB VAL 53 HB VAL 53 -0.029 7.983 6.643 427 HG11 VAL 53 1HG1 VAL 53 1.608 7.888 8.431 428 HG12 VAL 53 2HG1 VAL 53 -0.026 8.221 9.013 429 HG13 VAL 53 3HG1 VAL 53 0.683 6.600 9.218 430 HG21 VAL 53 3HG2 VAL 53 1.908 5.934 6.988 431 HG22 VAL 53 1HG2 VAL 53 0.523 5.167 6.209 432 HG23 VAL 53 2HG2 VAL 53 1.231 6.594 5.470 433 H ALA 54 H ALA 54 -3.305 4.855 6.864 434 HA ALA 54 HA ALA 54 -4.479 6.274 4.784 435 HB1 ALA 54 1HB ALA 54 -2.746 5.711 3.232 436 HB2 ALA 54 2HB ALA 54 -2.655 4.045 3.844 437 HB3 ALA 54 3HB ALA 54 -4.053 4.573 2.877 438 H SER 55 H SER 55 -5.889 5.519 6.716 439 HA SER 55 HA SER 55 -6.742 2.754 6.790 440 HB2 SER 55 1HB SER 55 -7.948 5.401 7.542 441 HB3 SER 55 2HB SER 55 -8.799 3.933 7.906 442 HG SER 55 HG SER 55 -6.517 5.123 8.971 443 H ILE 56 H ILE 56 -8.497 1.760 5.804 444 HA ILE 56 HA ILE 56 -9.781 3.313 3.564 445 HB ILE 56 HB ILE 56 -9.347 0.286 3.537 446 HG12 ILE 56 1HG1 ILE 56 -7.485 2.229 2.242 447 HG13 ILE 56 2HG1 ILE 56 -7.091 1.304 3.664 448 HG21 ILE 56 1HG2 ILE 56 -11.039 1.624 2.101 449 HG22 ILE 56 2HG2 ILE 56 -9.636 2.340 1.304 450 HG23 ILE 56 3HG2 ILE 56 -9.924 0.579 1.194 451 HD11 ILE 56 3HD1 ILE 56 -6.188 0.148 1.725 452 HD12 ILE 56 1HD1 ILE 56 -7.496 -0.813 2.432 453 HD13 ILE 56 2HD1 ILE 56 -7.759 0.143 0.958 454 H GLU 57 H GLU 57 -11.973 3.626 4.130 455 HA GLU 57 HA GLU 57 -13.050 1.918 6.230 456 HB2 GLU 57 1HB GLU 57 -13.185 4.789 5.695 457 HB3 GLU 57 2HB GLU 57 -14.743 4.039 5.481 458 HG2 GLU 57 1HG GLU 57 -15.042 4.277 7.596 459 HG3 GLU 57 2HG GLU 57 -14.065 2.844 7.809 460 H SER 58 H SER 58 -14.505 0.496 5.431 461 HA SER 58 HA SER 58 -15.452 0.861 2.644 462 HB2 SER 58 1HB SER 58 -15.752 -1.590 2.556 463 HB3 SER 58 2HB SER 58 -14.040 -1.137 2.804 464 HG SER 58 HG SER 58 -14.347 -1.550 5.008 465 H VAL 59 H VAL 59 -17.523 -0.562 2.423 466 HA VAL 59 HA VAL 59 -19.546 0.910 3.477 467 HB VAL 59 HB VAL 59 -19.109 -0.816 1.539 468 HG11 VAL 59 1HG1 VAL 59 -18.918 -2.806 2.893 469 HG12 VAL 59 2HG1 VAL 59 -20.628 -2.631 3.405 470 HG13 VAL 59 3HG1 VAL 59 -20.196 -2.919 1.702 471 HG21 VAL 59 3HG2 VAL 59 -21.847 -0.290 2.401 472 HG22 VAL 59 1HG2 VAL 59 -20.782 0.691 1.380 473 HG23 VAL 59 2HG2 VAL 59 -21.259 -0.935 0.835 474 H LYS 60 H LYS 60 -17.865 -1.942 4.936 475 HA LYS 60 HA LYS 60 -19.137 -1.180 7.403 476 HB2 LYS 60 1HB LYS 60 -20.220 -3.343 5.861 477 HB3 LYS 60 2HB LYS 60 -19.491 -4.059 7.292 478 HG2 LYS 60 1HG LYS 60 -20.825 -2.660 8.761 479 HG3 LYS 60 2HG LYS 60 -21.320 -1.625 7.431 480 HD2 LYS 60 1HD LYS 60 -22.536 -3.495 6.386 481 HD3 LYS 60 2HD LYS 60 -22.164 -4.517 7.791 482 HE2 LYS 60 1HE LYS 60 -23.384 -3.066 9.286 483 HE3 LYS 60 2HE LYS 60 -23.430 -1.770 8.088 484 HZ1 LYS 60 3HZ LYS 60 -24.914 -4.300 7.975 485 HZ2 LYS 60 1HZ LYS 60 -25.531 -2.767 8.124 486 HZ3 LYS 60 2HZ LYS 60 -24.845 -3.230 6.719 487 H ALA 61 H ALA 61 -16.209 -1.850 6.178 488 HA ALA 61 HA ALA 61 -15.276 -2.795 8.853 489 HB1 ALA 61 1HB ALA 61 -14.867 -4.505 7.048 490 HB2 ALA 61 2HB ALA 61 -13.879 -3.273 6.208 491 HB3 ALA 61 3HB ALA 61 -13.398 -3.854 7.806 492 H ALA 62 H ALA 62 -13.053 -1.934 9.223 493 HA ALA 62 HA ALA 62 -12.205 0.215 7.384 494 HB1 ALA 62 1HB ALA 62 -12.069 1.656 9.094 495 HB2 ALA 62 2HB ALA 62 -12.242 0.381 10.334 496 HB3 ALA 62 3HB ALA 62 -10.663 0.700 9.598 497 H ALA 63 H ALA 63 -10.059 -0.075 6.729 498 HA ALA 63 HA ALA 63 -8.459 -2.258 7.925 499 HB1 ALA 63 1HB ALA 63 -8.801 -1.944 4.917 500 HB2 ALA 63 2HB ALA 63 -7.778 -3.108 5.772 501 HB3 ALA 63 3HB ALA 63 -9.530 -3.232 5.915 502 H ASP 64 H ASP 64 -7.380 -0.635 8.996 503 HA ASP 64 HA ASP 64 -5.961 1.554 8.241 504 HB2 ASP 64 1HB ASP 64 -4.379 -0.278 9.770 505 HB3 ASP 64 2HB ASP 64 -5.141 1.157 10.321 506 H VAL 65 H VAL 65 -4.538 1.710 6.540 507 HA VAL 65 HA VAL 65 -3.059 -0.728 5.640 508 HB VAL 65 HB VAL 65 -3.098 2.070 4.528 509 HG11 VAL 65 1HG1 VAL 65 -1.941 1.082 2.556 510 HG12 VAL 65 2HG1 VAL 65 -0.956 0.892 3.999 511 HG13 VAL 65 3HG1 VAL 65 -1.912 -0.474 3.378 512 HG21 VAL 65 3HG2 VAL 65 -4.537 1.211 2.817 513 HG22 VAL 65 1HG2 VAL 65 -4.263 -0.481 3.346 514 HG23 VAL 65 2HG2 VAL 65 -5.211 0.620 4.318 515 H TYR 66 H TYR 66 -0.768 -0.934 5.970 516 HA TYR 66 HA TYR 66 0.236 0.916 8.053 517 HB2 TYR 66 1HB TYR 66 0.744 -2.058 7.658 518 HB3 TYR 66 2HB TYR 66 1.523 -1.031 8.834 519 HD1 TYR 66 1HD TYR 66 0.272 -0.188 10.801 520 HD2 TYR 66 2HD TYR 66 -1.584 -2.718 7.853 521 HE1 TYR 66 1HE TYR 66 -1.476 -0.881 12.476 522 HE2 TYR 66 2HE TYR 66 -3.290 -3.391 9.435 523 HH TYR 66 HH TYR 66 -4.287 -2.312 11.688 524 H ALA 67 H ALA 67 1.436 2.219 6.861 525 HA ALA 67 HA ALA 67 2.660 2.070 4.530 526 HB1 ALA 67 1HB ALA 67 3.688 3.304 7.071 527 HB2 ALA 67 2HB ALA 67 4.683 3.399 5.622 528 HB3 ALA 67 3HB ALA 67 3.035 4.113 5.619 529 HA PRO 68 HA PRO 68 4.796 -1.580 4.761 530 HB2 PRO 68 1HB PRO 68 6.026 -1.782 2.327 531 HB3 PRO 68 2HB PRO 68 4.245 -1.734 2.506 532 HG2 PRO 68 1HG PRO 68 6.065 0.609 1.878 533 HG3 PRO 68 2HG PRO 68 4.592 0.068 0.996 534 HD2 PRO 68 1HD PRO 68 4.417 2.005 2.862 535 HD3 PRO 68 2HD PRO 68 3.175 0.715 2.797 536 H LEU 69 H LEU 69 6.860 1.206 4.338 537 HA LEU 69 HA LEU 69 9.287 -0.156 5.341 538 HB2 LEU 69 1HB LEU 69 8.915 1.452 2.757 539 HB3 LEU 69 2HB LEU 69 10.436 1.446 3.625 540 HG LEU 69 HG LEU 69 10.608 0.069 1.784 541 HD11 LEU 69 1HD1 LEU 69 10.442 -1.682 4.270 542 HD12 LEU 69 2HD1 LEU 69 11.379 -2.056 2.817 543 HD13 LEU 69 3HD1 LEU 69 11.792 -0.638 3.789 544 HD21 LEU 69 3HD2 LEU 69 8.447 -1.801 2.691 545 HD22 LEU 69 1HD2 LEU 69 8.187 -0.500 1.517 546 HD23 LEU 69 2HD2 LEU 69 9.350 -1.818 1.179 547 H SER 70 H SER 70 10.695 1.553 6.426 548 HA SER 70 HA SER 70 9.210 3.915 7.222 549 HB2 SER 70 1HB SER 70 12.123 3.222 7.548 550 HB3 SER 70 2HB SER 70 11.244 4.489 8.428 551 HG SER 70 HG SER 70 11.600 2.136 9.222 552 H GLY 71 H GLY 71 9.384 6.054 6.505 553 HA2 GLY 71 1HA GLY 71 11.103 7.026 4.461 554 HA3 GLY 71 2HA GLY 71 9.701 6.230 3.759 555 H LYS 72 H LYS 72 9.288 8.498 2.952 556 HA LYS 72 HA LYS 72 7.422 9.826 4.845 557 HB2 LYS 72 1HB LYS 72 9.527 11.129 4.983 558 HB3 LYS 72 2HB LYS 72 9.574 11.241 3.261 559 HG2 LYS 72 1HG LYS 72 7.087 12.358 3.790 560 HG3 LYS 72 2HG LYS 72 7.940 12.762 5.251 561 HD2 LYS 72 1HD LYS 72 9.487 13.384 2.785 562 HD3 LYS 72 2HD LYS 72 7.899 14.133 2.805 563 HE2 LYS 72 1HE LYS 72 8.400 15.013 5.127 564 HE3 LYS 72 2HE LYS 72 10.023 14.335 4.972 565 HZ1 LYS 72 3HZ LYS 72 10.235 16.512 4.302 566 HZ2 LYS 72 1HZ LYS 72 10.153 15.728 2.868 567 HZ3 LYS 72 2HZ LYS 72 8.831 16.545 3.429 568 H ILE 73 H ILE 73 5.575 10.554 3.863 569 HA ILE 73 HA ILE 73 4.886 9.535 1.248 570 HB ILE 73 HB ILE 73 3.512 11.616 2.923 571 HG12 ILE 73 1HG1 ILE 73 3.652 9.958 4.521 572 HG13 ILE 73 2HG1 ILE 73 2.082 9.732 3.829 573 HG21 ILE 73 1HG2 ILE 73 2.250 9.593 0.999 574 HG22 ILE 73 2HG2 ILE 73 1.457 10.964 1.814 575 HG23 ILE 73 3HG2 ILE 73 2.609 11.272 0.573 576 HD11 ILE 73 3HD1 ILE 73 3.415 7.996 2.272 577 HD12 ILE 73 1HD1 ILE 73 4.487 7.981 3.677 578 HD13 ILE 73 2HD1 ILE 73 2.776 7.557 3.865 579 H VAL 74 H VAL 74 4.586 10.734 -0.675 580 HA VAL 74 HA VAL 74 5.124 13.623 -0.707 581 HB VAL 74 HB VAL 74 6.795 13.178 -2.624 582 HG11 VAL 74 1HG1 VAL 74 7.833 12.167 0.039 583 HG12 VAL 74 2HG1 VAL 74 8.736 12.968 -1.269 584 HG13 VAL 74 3HG1 VAL 74 7.520 13.865 -0.334 585 HG21 VAL 74 3HG2 VAL 74 7.985 11.071 -2.742 586 HG22 VAL 74 1HG2 VAL 74 7.009 10.366 -1.447 587 HG23 VAL 74 2HG2 VAL 74 6.274 10.761 -3.017 588 H GLU 75 H GLU 75 3.119 11.081 -1.575 589 HA GLU 75 HA GLU 75 1.753 12.755 -3.454 590 HB2 GLU 75 1HB GLU 75 3.574 10.696 -4.472 591 HB3 GLU 75 2HB GLU 75 1.909 10.227 -4.775 592 HG2 GLU 75 1HG GLU 75 1.465 12.274 -5.995 593 HG3 GLU 75 2HG GLU 75 3.068 12.900 -5.588 594 H VAL 76 H VAL 76 -0.492 11.952 -3.615 595 HA VAL 76 HA VAL 76 -1.150 9.472 -2.177 596 HB VAL 76 HB VAL 76 -2.985 10.582 -1.034 597 HG11 VAL 76 1HG1 VAL 76 -0.618 10.378 0.064 598 HG12 VAL 76 2HG1 VAL 76 -0.548 12.158 -0.114 599 HG13 VAL 76 3HG1 VAL 76 -1.844 11.405 0.805 600 HG21 VAL 76 3HG2 VAL 76 -3.276 12.514 -2.520 601 HG22 VAL 76 1HG2 VAL 76 -3.147 13.006 -0.831 602 HG23 VAL 76 2HG2 VAL 76 -1.754 13.199 -1.946 603 H ASN 77 H ASN 77 -3.456 8.742 -2.833 604 HA ASN 77 HA ASN 77 -3.840 9.627 -5.647 605 HB2 ASN 77 1HB ASN 77 -3.298 7.146 -4.977 606 HB3 ASN 77 2HB ASN 77 -4.946 7.072 -4.456 607 HD21 ASN 77 1HD2 ASN 77 -5.108 5.442 -6.113 608 HD22 ASN 77 2HD2 ASN 77 -5.247 5.769 -7.816 609 H GLU 78 H GLU 78 -4.984 11.571 -4.735 610 HA GLU 78 HA GLU 78 -7.360 11.383 -3.226 611 HB2 GLU 78 1HB GLU 78 -6.251 13.377 -5.200 612 HB3 GLU 78 2HB GLU 78 -7.891 13.572 -4.590 613 HG2 GLU 78 1HG GLU 78 -7.022 13.534 -2.257 614 HG3 GLU 78 2HG GLU 78 -5.369 13.480 -2.891 615 H LYS 79 H LYS 79 -6.787 10.166 -6.256 616 HA LYS 79 HA LYS 79 -9.326 10.296 -7.605 617 HB2 LYS 79 1HB LYS 79 -7.173 8.122 -7.454 618 HB3 LYS 79 2HB LYS 79 -8.512 8.058 -8.548 619 HG2 LYS 79 1HG LYS 79 -7.710 10.410 -9.346 620 HG3 LYS 79 2HG LYS 79 -6.215 10.020 -8.517 621 HD2 LYS 79 1HD LYS 79 -5.671 9.175 -10.616 622 HD3 LYS 79 2HD LYS 79 -6.453 7.753 -9.953 623 HE2 LYS 79 1HE LYS 79 -7.483 8.057 -12.083 624 HE3 LYS 79 2HE LYS 79 -8.654 8.664 -10.903 625 HZ1 LYS 79 3HZ LYS 79 -8.576 10.237 -12.569 626 HZ2 LYS 79 1HZ LYS 79 -7.678 10.931 -11.403 627 HZ3 LYS 79 2HZ LYS 79 -6.945 10.228 -12.713 628 H LEU 80 H LEU 80 -8.217 8.511 -4.756 629 HA LEU 80 HA LEU 80 -10.372 6.562 -4.854 630 HB2 LEU 80 1HB LEU 80 -8.159 7.214 -2.879 631 HB3 LEU 80 2HB LEU 80 -9.336 5.961 -2.605 632 HG LEU 80 HG LEU 80 -6.914 5.486 -3.689 633 HD11 LEU 80 1HD1 LEU 80 -7.762 3.339 -4.352 634 HD12 LEU 80 2HD1 LEU 80 -8.651 3.864 -2.918 635 HD13 LEU 80 3HD1 LEU 80 -9.429 3.959 -4.504 636 HD21 LEU 80 3HD2 LEU 80 -7.176 4.847 -6.058 637 HD22 LEU 80 1HD2 LEU 80 -8.775 5.597 -6.131 638 HD23 LEU 80 2HD2 LEU 80 -7.328 6.597 -5.843 639 H ASP 81 H ASP 81 -10.243 9.846 -3.844 640 HA ASP 81 HA ASP 81 -12.219 9.794 -1.725 641 HB2 ASP 81 1HB ASP 81 -10.793 11.771 -2.134 642 HB3 ASP 81 2HB ASP 81 -11.424 11.934 -3.771 643 H THR 82 H THR 82 -12.315 9.702 -5.285 644 HA THR 82 HA THR 82 -15.287 9.914 -5.221 645 HB THR 82 HB THR 82 -15.138 10.890 -7.413 646 HG1 THR 82 1HG THR 82 -13.482 9.945 -8.362 647 HG21 THR 82 3HG2 THR 82 -14.013 12.978 -6.947 648 HG22 THR 82 1HG2 THR 82 -14.808 12.408 -5.462 649 HG23 THR 82 2HG2 THR 82 -13.050 12.247 -5.656 650 H GLU 83 H GLU 83 -12.653 7.842 -6.100 651 HA GLU 83 HA GLU 83 -14.540 5.759 -7.011 652 HB2 GLU 83 1HB GLU 83 -12.074 6.763 -8.396 653 HB3 GLU 83 2HB GLU 83 -12.658 5.129 -8.689 654 HG2 GLU 83 1HG GLU 83 -14.372 7.616 -9.195 655 HG3 GLU 83 2HG GLU 83 -13.371 6.788 -10.405 656 HA PRO 84 HA PRO 84 -11.541 4.349 -3.705 657 HB2 PRO 84 1HB PRO 84 -13.615 3.402 -2.056 658 HB3 PRO 84 2HB PRO 84 -12.672 4.905 -1.808 659 HG2 PRO 84 1HG PRO 84 -15.450 4.642 -2.725 660 HG3 PRO 84 2HG PRO 84 -14.563 6.087 -2.145 661 HD2 PRO 84 1HD PRO 84 -15.242 5.381 -4.829 662 HD3 PRO 84 2HD PRO 84 -14.252 6.780 -4.291 663 H GLU 85 H GLU 85 -14.456 3.216 -5.341 664 HA GLU 85 HA GLU 85 -14.083 0.447 -5.103 665 HB2 GLU 85 1HB GLU 85 -16.055 1.934 -6.083 666 HB3 GLU 85 2HB GLU 85 -15.200 1.705 -7.610 667 HG2 GLU 85 1HG GLU 85 -15.315 -0.746 -7.328 668 HG3 GLU 85 2HG GLU 85 -16.089 -0.575 -5.786 669 H LEU 86 H LEU 86 -12.073 2.705 -6.884 670 HA LEU 86 HA LEU 86 -11.351 0.833 -8.930 671 HB2 LEU 86 1HB LEU 86 -10.667 3.531 -8.225 672 HB3 LEU 86 2HB LEU 86 -9.179 2.645 -8.105 673 HG LEU 86 HG LEU 86 -10.786 3.489 -10.448 674 HD11 LEU 86 1HD1 LEU 86 -8.621 3.662 -11.470 675 HD12 LEU 86 2HD1 LEU 86 -8.452 4.244 -9.788 676 HD13 LEU 86 3HD1 LEU 86 -7.918 2.601 -10.213 677 HD21 LEU 86 3HD2 LEU 86 -11.199 1.194 -10.921 678 HD22 LEU 86 1HD2 LEU 86 -9.803 1.647 -11.932 679 HD23 LEU 86 2HD2 LEU 86 -9.576 0.697 -10.435 680 H ILE 87 H ILE 87 -10.593 0.848 -5.547 681 HA ILE 87 HA ILE 87 -8.201 -0.746 -5.761 682 HB ILE 87 HB ILE 87 -10.277 -0.674 -3.536 683 HG12 ILE 87 1HG1 ILE 87 -7.699 0.903 -3.971 684 HG13 ILE 87 2HG1 ILE 87 -9.343 1.541 -3.923 685 HG21 ILE 87 1HG2 ILE 87 -7.346 -1.495 -3.312 686 HG22 ILE 87 2HG2 ILE 87 -8.655 -1.651 -2.119 687 HG23 ILE 87 3HG2 ILE 87 -8.657 -2.673 -3.517 688 HD11 ILE 87 3HD1 ILE 87 -9.516 1.010 -1.525 689 HD12 ILE 87 1HD1 ILE 87 -7.839 0.386 -1.542 690 HD13 ILE 87 2HD1 ILE 87 -8.144 2.079 -1.880 691 H ASN 88 H ASN 88 -11.650 -1.460 -6.294 692 HA ASN 88 HA ASN 88 -11.320 -4.365 -6.103 693 HB2 ASN 88 1HB ASN 88 -13.428 -2.552 -7.300 694 HB3 ASN 88 2HB ASN 88 -13.451 -4.300 -7.494 695 HD21 ASN 88 1HD2 ASN 88 -13.504 -1.897 -4.840 696 HD22 ASN 88 2HD2 ASN 88 -14.266 -3.021 -3.688 697 H LYS 89 H LYS 89 -11.805 -1.926 -8.601 698 HA LYS 89 HA LYS 89 -11.660 -3.579 -10.813 699 HB2 LYS 89 1HB LYS 89 -11.933 -0.809 -10.268 700 HB3 LYS 89 2HB LYS 89 -10.707 -0.923 -11.476 701 HG2 LYS 89 1HG LYS 89 -13.379 -2.393 -11.672 702 HG3 LYS 89 2HG LYS 89 -13.126 -0.760 -12.260 703 HD2 LYS 89 1HD LYS 89 -11.422 -1.511 -13.858 704 HD3 LYS 89 2HD LYS 89 -11.586 -3.189 -13.266 705 HE2 LYS 89 1HE LYS 89 -13.901 -3.292 -13.934 706 HE3 LYS 89 2HE LYS 89 -13.943 -1.570 -14.310 707 HZ1 LYS 89 3HZ LYS 89 -12.518 -1.950 -16.174 708 HZ2 LYS 89 1HZ LYS 89 -12.297 -3.534 -15.799 709 HZ3 LYS 89 2HZ LYS 89 -13.783 -3.017 -16.235 710 H ASP 90 H ASP 90 -8.977 -1.734 -9.284 711 HA ASP 90 HA ASP 90 -7.186 -3.769 -10.188 712 HB2 ASP 90 1HB ASP 90 -7.439 -1.753 -12.047 713 HB3 ASP 90 2HB ASP 90 -6.026 -1.211 -11.192 714 HA PRO 91 HA PRO 91 -6.339 -1.739 -6.146 715 HB2 PRO 91 1HB PRO 91 -5.211 -4.063 -4.956 716 HB3 PRO 91 2HB PRO 91 -6.889 -3.546 -4.817 717 HG2 PRO 91 1HG PRO 91 -5.672 -5.660 -6.524 718 HG3 PRO 91 2HG PRO 91 -7.339 -5.565 -5.887 719 HD2 PRO 91 1HD PRO 91 -6.569 -5.026 -8.515 720 HD3 PRO 91 2HD PRO 91 -8.070 -4.433 -7.777 721 H GLU 92 H GLU 92 -4.360 -3.222 -8.489 722 HA GLU 92 HA GLU 92 -1.880 -2.370 -7.169 723 HB2 GLU 92 1HB GLU 92 -1.734 -4.677 -8.972 724 HB3 GLU 92 2HB GLU 92 -0.841 -4.240 -7.529 725 HG2 GLU 92 1HG GLU 92 -3.143 -4.889 -6.250 726 HG3 GLU 92 2HG GLU 92 -3.503 -5.647 -7.762 727 H GLY 93 H GLY 93 -3.793 -1.354 -9.415 728 HA2 GLY 93 1HA GLY 93 -1.690 -0.787 -11.487 729 HA3 GLY 93 2HA GLY 93 -3.415 -1.064 -11.820 730 H GLU 94 H GLU 94 -4.981 0.461 -10.874 731 HA GLU 94 HA GLU 94 -3.923 3.238 -10.844 732 HB2 GLU 94 1HB GLU 94 -6.466 1.983 -11.904 733 HB3 GLU 94 2HB GLU 94 -6.202 3.736 -11.774 734 HG2 GLU 94 1HG GLU 94 -4.024 2.313 -13.082 735 HG3 GLU 94 2HG GLU 94 -5.549 2.234 -13.920 736 H GLY 95 H GLY 95 -5.895 0.850 -9.090 737 HA2 GLY 95 1HA GLY 95 -6.936 2.662 -7.098 738 HA3 GLY 95 2HA GLY 95 -6.927 0.904 -7.113 739 H TRP 96 H TRP 96 -4.076 3.068 -7.365 740 HA TRP 96 HA TRP 96 -2.763 1.753 -5.067 741 HB2 TRP 96 1HB TRP 96 -0.984 3.375 -5.357 742 HB3 TRP 96 2HB TRP 96 -1.317 2.534 -6.863 743 HD1 TRP 96 HD TRP 96 -2.681 3.964 -8.737 744 HE1 TRP 96 1HE TRP 96 -2.700 6.466 -9.303 745 HE3 TRP 96 3HE TRP 96 -0.516 5.780 -4.471 746 HZ2 TRP 96 2HZ TRP 96 -1.751 8.918 -8.118 747 HZ3 TRP 96 3HZ TRP 96 -0.165 8.286 -4.214 748 HH2 TRP 96 HH TRP 96 -0.704 9.791 -6.073 749 H LEU 97 H LEU 97 -2.147 3.057 -3.161 750 HA LEU 97 HA LEU 97 -4.472 4.749 -2.323 751 HB2 LEU 97 1HB LEU 97 -2.300 3.418 -0.682 752 HB3 LEU 97 2HB LEU 97 -3.679 4.353 -0.069 753 HG LEU 97 HG LEU 97 -4.282 1.882 -1.678 754 HD11 LEU 97 1HD1 LEU 97 -3.339 1.971 1.203 755 HD12 LEU 97 2HD1 LEU 97 -3.993 0.528 0.388 756 HD13 LEU 97 3HD1 LEU 97 -2.432 1.224 -0.096 757 HD21 LEU 97 3HD2 LEU 97 -6.120 1.715 -0.078 758 HD22 LEU 97 1HD2 LEU 97 -5.444 2.990 0.944 759 HD23 LEU 97 2HD2 LEU 97 -6.081 3.373 -0.688 760 H PHE 98 H PHE 98 -0.871 4.597 -1.725 761 HA PHE 98 HA PHE 98 -0.678 7.475 -2.148 762 HB2 PHE 98 1HB PHE 98 0.221 7.940 0.052 763 HB3 PHE 98 2HB PHE 98 -1.415 7.354 0.172 764 HD1 PHE 98 1HD PHE 98 -1.795 4.893 0.891 765 HD2 PHE 98 2HD PHE 98 1.917 6.951 1.329 766 HE1 PHE 98 1HE PHE 98 -1.075 3.202 2.550 767 HE2 PHE 98 2HE PHE 98 2.514 5.414 3.235 768 HZ PHE 98 HZ PHE 98 1.047 3.497 3.766 769 H LYS 99 H LYS 99 1.708 8.158 -1.682 770 HA LYS 99 HA LYS 99 3.575 6.002 -2.503 771 HB2 LYS 99 1HB LYS 99 2.953 8.612 -3.872 772 HB3 LYS 99 2HB LYS 99 4.593 8.079 -3.852 773 HG2 LYS 99 1HG LYS 99 4.014 5.980 -4.903 774 HG3 LYS 99 2HG LYS 99 2.292 6.438 -4.968 775 HD2 LYS 99 1HD LYS 99 3.823 8.566 -6.136 776 HD3 LYS 99 2HD LYS 99 4.534 7.062 -6.727 777 HE2 LYS 99 1HE LYS 99 2.372 6.306 -7.565 778 HE3 LYS 99 2HE LYS 99 1.582 7.761 -6.905 779 HZ1 LYS 99 3HZ LYS 99 2.153 8.143 -9.220 780 HZ2 LYS 99 1HZ LYS 99 3.082 9.077 -8.279 781 HZ3 LYS 99 2HZ LYS 99 3.748 7.737 -8.936 782 H MET 100 H MET 100 5.640 6.274 -1.780 783 HA MET 100 HA MET 100 6.262 8.594 -0.076 784 HB2 MET 100 1HB MET 100 7.023 6.654 1.592 785 HB3 MET 100 2HB MET 100 5.478 7.433 1.681 786 HG2 MET 100 1HG MET 100 4.390 5.608 0.467 787 HG3 MET 100 2HG MET 100 5.906 4.745 0.304 788 HE1 MET 100 3HE MET 100 7.100 3.518 2.627 789 HE2 MET 100 1HE MET 100 7.298 5.222 3.120 790 HE3 MET 100 2HE MET 100 6.531 4.096 4.205 791 H GLU 101 H GLU 101 8.342 8.985 0.196 792 HA GLU 101 HA GLU 101 10.262 7.851 -1.566 793 HB2 GLU 101 1HB GLU 101 10.286 10.209 -0.768 794 HB3 GLU 101 2HB GLU 101 10.551 9.634 0.880 795 HG2 GLU 101 1HG GLU 101 12.718 8.582 0.075 796 HG3 GLU 101 2HG GLU 101 12.434 9.308 -1.493 797 H ILE 102 H ILE 102 12.016 6.511 -1.064 798 HA ILE 102 HA ILE 102 11.654 4.808 1.330 799 HB ILE 102 HB ILE 102 13.502 3.461 0.169 800 HG12 ILE 102 1HG1 ILE 102 12.460 4.828 -2.365 801 HG13 ILE 102 2HG1 ILE 102 14.001 5.258 -1.622 802 HG21 ILE 102 1HG2 ILE 102 11.849 2.178 -1.036 803 HG22 ILE 102 2HG2 ILE 102 11.080 2.840 0.397 804 HG23 ILE 102 3HG2 ILE 102 10.770 3.587 -1.194 805 HD11 ILE 102 3HD1 ILE 102 13.457 2.444 -2.564 806 HD12 ILE 102 1HD1 ILE 102 14.244 3.719 -3.514 807 HD13 ILE 102 2HD1 ILE 102 14.965 3.184 -1.995 808 H SER 103 H SER 103 12.642 5.704 3.118 809 HA SER 103 HA SER 103 15.137 7.168 2.925 810 HB2 SER 103 1HB SER 103 13.797 5.738 5.235 811 HB3 SER 103 2HB SER 103 15.225 6.766 5.380 812 HG SER 103 HG SER 103 14.065 8.476 5.092 813 H ASP 104 H ASP 104 14.172 3.788 3.203 814 HA ASP 104 HA ASP 104 16.958 2.892 3.736 815 HB2 ASP 104 1HB ASP 104 14.445 1.775 5.043 816 HB3 ASP 104 2HB ASP 104 16.129 1.423 5.428 817 H GLU 105 H GLU 105 16.685 2.592 1.224 818 HA GLU 105 HA GLU 105 15.007 0.483 0.073 819 HB2 GLU 105 1HB GLU 105 15.909 1.311 -1.679 820 HB3 GLU 105 2HB GLU 105 17.064 2.281 -0.775 821 HG2 GLU 105 1HG GLU 105 18.680 0.387 -0.851 822 HG3 GLU 105 2HG GLU 105 17.472 -0.600 -1.693 823 H GLY 106 H GLY 106 17.664 0.244 2.408 824 HA2 GLY 106 1HA GLY 106 18.305 -2.507 1.686 825 HA3 GLY 106 2HA GLY 106 18.784 -1.636 3.152 826 H GLU 107 H GLU 107 15.717 -0.978 3.580 827 HA GLU 107 HA GLU 107 15.184 -3.381 5.199 828 HB2 GLU 107 1HB GLU 107 13.901 -0.677 4.843 829 HB3 GLU 107 2HB GLU 107 12.876 -2.036 5.248 830 HG2 GLU 107 1HG GLU 107 14.424 -2.541 7.193 831 HG3 GLU 107 2HG GLU 107 15.153 -0.951 6.899 832 H LEU 108 H LEU 108 14.536 -2.440 1.848 833 HA LEU 108 HA LEU 108 12.280 -3.793 1.272 834 HB2 LEU 108 1HB LEU 108 14.919 -3.482 -0.147 835 HB3 LEU 108 2HB LEU 108 13.528 -4.047 -0.933 836 HG LEU 108 HG LEU 108 12.355 -2.038 -0.634 837 HD11 LEU 108 1HD1 LEU 108 12.349 -1.154 1.181 838 HD12 LEU 108 2HD1 LEU 108 14.033 -0.835 1.205 839 HD13 LEU 108 3HD1 LEU 108 12.949 0.075 0.088 840 HD21 LEU 108 3HD2 LEU 108 13.162 -2.073 -2.657 841 HD22 LEU 108 1HD2 LEU 108 13.674 -0.474 -2.070 842 HD23 LEU 108 2HD2 LEU 108 14.838 -1.801 -2.092 843 H GLU 109 H GLU 109 15.551 -5.160 1.869 844 HA GLU 109 HA GLU 109 14.853 -7.856 1.018 845 HB2 GLU 109 1HB GLU 109 17.077 -6.607 2.647 846 HB3 GLU 109 2HB GLU 109 17.002 -8.344 2.419 847 HG2 GLU 109 1HG GLU 109 16.748 -6.759 -0.109 848 HG3 GLU 109 2HG GLU 109 18.245 -6.488 0.743 849 H ASP 110 H ASP 110 13.816 -6.058 3.709 850 HA ASP 110 HA ASP 110 13.532 -8.313 5.575 851 HB2 ASP 110 1HB ASP 110 13.866 -5.702 6.007 852 HB3 ASP 110 2HB ASP 110 12.117 -5.663 5.778 853 H LEU 111 H LEU 111 11.879 -6.950 2.778 854 HA LEU 111 HA LEU 111 9.140 -7.833 3.547 855 HB2 LEU 111 1HB LEU 111 10.379 -6.924 0.931 856 HB3 LEU 111 2HB LEU 111 8.687 -7.288 1.185 857 HG LEU 111 HG LEU 111 9.594 -4.848 0.968 858 HD11 LEU 111 1HD1 LEU 111 7.590 -4.030 2.273 859 HD12 LEU 111 2HD1 LEU 111 7.184 -5.358 1.169 860 HD13 LEU 111 3HD1 LEU 111 7.391 -5.670 2.909 861 HD21 LEU 111 3HD2 LEU 111 9.831 -5.193 3.872 862 HD22 LEU 111 1HD2 LEU 111 11.077 -4.964 2.603 863 HD23 LEU 111 2HD2 LEU 111 9.865 -3.691 2.911 864 H LEU 112 H LEU 112 7.999 -9.191 2.169 865 HA LEU 112 HA LEU 112 9.335 -11.725 1.706 866 HB2 LEU 112 1HB LEU 112 6.481 -10.760 1.191 867 HB3 LEU 112 2HB LEU 112 7.010 -12.448 1.170 868 HG LEU 112 HG LEU 112 7.248 -10.651 3.646 869 HD11 LEU 112 1HD1 LEU 112 5.066 -12.619 2.990 870 HD12 LEU 112 2HD1 LEU 112 5.289 -11.702 4.504 871 HD13 LEU 112 3HD1 LEU 112 4.968 -10.831 2.998 872 HD21 LEU 112 3HD2 LEU 112 8.779 -12.542 3.714 873 HD22 LEU 112 1HD2 LEU 112 7.457 -12.796 4.848 874 HD23 LEU 112 2HD2 LEU 112 7.458 -13.669 3.291 875 H ASP 113 H ASP 113 9.892 -12.580 -0.210 876 HA ASP 113 HA ASP 113 9.896 -11.192 -2.669 877 HB2 ASP 113 1HB ASP 113 9.680 -14.215 -2.349 878 HB3 ASP 113 2HB ASP 113 10.289 -13.338 -3.735 879 H GLU 114 H GLU 114 8.556 -12.079 -4.556 880 HA GLU 114 HA GLU 114 5.765 -11.701 -4.129 881 HB2 GLU 114 1HB GLU 114 7.061 -11.046 -6.141 882 HB3 GLU 114 2HB GLU 114 7.276 -12.743 -6.561 883 HG2 GLU 114 1HG GLU 114 4.903 -13.064 -6.889 884 HG3 GLU 114 2HG GLU 114 4.527 -11.468 -6.215 885 H GLN 115 H GLN 115 7.722 -14.737 -4.915 886 HA GLN 115 HA GLN 115 5.524 -16.497 -4.763 887 HB2 GLN 115 1HB GLN 115 7.557 -17.231 -5.802 888 HB3 GLN 115 2HB GLN 115 8.553 -16.678 -4.445 889 HG2 GLN 115 1HG GLN 115 7.587 -18.345 -2.978 890 HG3 GLN 115 2HG GLN 115 6.484 -18.877 -4.264 891 HE21 GLN 115 1HE2 GLN 115 7.462 -20.997 -3.550 892 HE22 GLN 115 2HE2 GLN 115 8.970 -21.510 -4.228 893 H ALA 116 H ALA 116 7.949 -15.265 -2.413 894 HA ALA 116 HA ALA 116 7.255 -17.025 -0.300 895 HB1 ALA 116 1HB ALA 116 8.628 -15.529 1.087 896 HB2 ALA 116 2HB ALA 116 9.412 -15.786 -0.480 897 HB3 ALA 116 3HB ALA 116 8.544 -14.271 -0.154 898 H TYR 117 H TYR 117 6.036 -13.824 -1.280 899 HA TYR 117 HA TYR 117 4.354 -13.320 0.955 900 HB2 TYR 117 1HB TYR 117 4.771 -11.573 -0.484 901 HB3 TYR 117 2HB TYR 117 4.479 -12.502 -1.932 902 HD1 TYR 117 1HD TYR 117 2.420 -11.606 1.119 903 HD2 TYR 117 2HD TYR 117 2.691 -11.854 -3.183 904 HE1 TYR 117 1HE TYR 117 0.034 -10.938 0.922 905 HE2 TYR 117 2HE TYR 117 0.356 -11.186 -3.394 906 HH TYR 117 HH TYR 117 -1.613 -10.740 -2.248 907 H GLN 118 H GLN 118 3.729 -15.238 -2.040 908 HA GLN 118 HA GLN 118 0.977 -15.635 -1.349 909 HB2 GLN 118 1HB GLN 118 2.275 -17.722 -3.059 910 HB3 GLN 118 2HB GLN 118 0.716 -16.903 -3.212 911 HG2 GLN 118 1HG GLN 118 2.149 -14.788 -3.779 912 HG3 GLN 118 2HG GLN 118 3.450 -15.990 -4.010 913 HE21 GLN 118 1HE2 GLN 118 1.547 -14.131 -5.777 914 HE22 GLN 118 2HE2 GLN 118 1.095 -15.231 -7.081 915 H GLU 119 H GLU 119 3.883 -17.698 -0.983 916 HA GLU 119 HA GLU 119 2.784 -19.877 0.326 917 HB2 GLU 119 1HB GLU 119 5.187 -19.377 -0.534 918 HB3 GLU 119 2HB GLU 119 5.467 -18.615 1.037 919 HG2 GLU 119 1HG GLU 119 4.578 -20.833 2.038 920 HG3 GLU 119 2HG GLU 119 4.731 -21.476 0.395 921 H PHE 120 H PHE 120 3.873 -16.756 1.728 922 HA PHE 120 HA PHE 120 3.458 -17.312 4.453 923 HB2 PHE 120 1HB PHE 120 4.694 -15.388 3.612 924 HB3 PHE 120 2HB PHE 120 3.237 -14.706 2.908 925 HD1 PHE 120 2HD PHE 120 4.228 -16.159 6.226 926 HD2 PHE 120 1HD PHE 120 2.303 -12.922 4.116 927 HE1 PHE 120 2HE PHE 120 3.666 -15.110 8.358 928 HE2 PHE 120 1HE PHE 120 1.731 -11.860 6.301 929 HZ PHE 120 HZ PHE 120 2.441 -12.932 8.422 930 H CYS 121 H CYS 121 1.108 -15.891 2.075 931 HA CYS 121 HA CYS 121 -0.994 -15.785 4.056 932 HB2 CYS 121 1HB CYS 121 -1.161 -15.799 1.027 933 HB3 CYS 121 2HB CYS 121 -2.438 -15.286 2.138 934 HG CYS 121 HG CYS 121 -1.344 -13.280 3.117 935 H ALA 122 H ALA 122 0.203 -18.411 2.009 936 HA ALA 122 HA ALA 122 -2.215 -20.013 2.199 937 HB1 ALA 122 1HB ALA 122 -0.858 -21.794 1.257 938 HB2 ALA 122 2HB ALA 122 -0.561 -20.286 0.373 939 HB3 ALA 122 3HB ALA 122 0.631 -20.877 1.555 940 H GLN 123 H GLN 123 0.693 -19.625 4.156 941 HA GLN 123 HA GLN 123 0.408 -21.897 5.873 942 HB2 GLN 123 1HB GLN 123 1.826 -19.236 6.001 943 HB3 GLN 123 2HB GLN 123 1.737 -20.186 7.453 944 HG2 GLN 123 1HG GLN 123 2.843 -21.282 4.837 945 HG3 GLN 123 2HG GLN 123 3.828 -20.459 6.035 946 HE21 GLN 123 1HE2 GLN 123 2.646 -21.636 8.544 947 HE22 GLN 123 2HE2 GLN 123 3.150 -23.293 8.453 948 H GLU 124 H GLU 124 -1.724 -19.240 5.594 949 HA GLU 124 HA GLU 124 -2.287 -18.744 8.363 950 HB2 GLU 124 1HB GLU 124 -2.595 -17.154 6.504 951 HB3 GLU 124 2HB GLU 124 -3.960 -18.108 5.916 952 HG2 GLU 124 1HG GLU 124 -5.347 -17.082 7.392 953 HG3 GLU 124 2HG GLU 124 -4.362 -17.616 8.748 Start of MODEL 15 1 H1 MET 1 H MET 1 17.456 -0.137 -6.774 2 HA MET 1 HA MET 1 15.790 1.582 -8.507 3 HB2 MET 1 1HB MET 1 17.364 -0.936 -9.186 4 HB3 MET 1 2HB MET 1 16.461 0.063 -10.315 5 HG2 MET 1 1HG MET 1 18.027 1.914 -9.969 6 HG3 MET 1 2HG MET 1 18.961 0.909 -8.832 7 HE1 MET 1 3HE MET 1 20.369 2.248 -11.357 8 HE2 MET 1 1HE MET 1 21.201 1.164 -10.208 9 HE3 MET 1 2HE MET 1 21.330 0.883 -11.957 10 H LYS 2 H LYS 2 13.931 0.844 -9.324 11 HA LYS 2 HA LYS 2 12.007 -0.534 -9.521 12 HB2 LYS 2 1HB LYS 2 13.506 -0.218 -11.436 13 HB3 LYS 2 2HB LYS 2 14.335 -1.722 -11.057 14 HG2 LYS 2 1HG LYS 2 12.675 -3.018 -11.908 15 HG3 LYS 2 2HG LYS 2 11.392 -2.046 -11.220 16 HD2 LYS 2 1HD LYS 2 12.997 -1.121 -13.637 17 HD3 LYS 2 2HD LYS 2 11.529 -2.086 -13.793 18 HE2 LYS 2 1HE LYS 2 11.623 0.524 -12.211 19 HE3 LYS 2 2HE LYS 2 11.229 0.466 -13.928 20 HZ1 LYS 2 3HZ LYS 2 9.708 -1.140 -11.964 21 HZ2 LYS 2 1HZ LYS 2 9.277 0.402 -12.387 22 HZ3 LYS 2 2HZ LYS 2 9.342 -0.801 -13.516 23 H MET 3 H MET 3 11.470 -1.532 -7.479 24 HA MET 3 HA MET 3 12.141 -4.401 -7.313 25 HB2 MET 3 1HB MET 3 13.750 -3.284 -5.815 26 HB3 MET 3 2HB MET 3 12.488 -2.368 -5.058 27 HG2 MET 3 1HG MET 3 13.112 -4.223 -3.636 28 HG3 MET 3 2HG MET 3 11.428 -4.340 -4.139 29 HE1 MET 3 3HE MET 3 15.019 -6.800 -5.537 30 HE2 MET 3 1HE MET 3 14.721 -5.166 -6.205 31 HE3 MET 3 2HE MET 3 14.984 -5.368 -4.470 32 H LYS 4 H LYS 4 10.371 -5.602 -6.360 33 HA LYS 4 HA LYS 4 7.940 -4.014 -5.690 34 HB2 LYS 4 1HB LYS 4 7.638 -4.314 -7.949 35 HB3 LYS 4 2HB LYS 4 8.245 -5.983 -7.950 36 HG2 LYS 4 1HG LYS 4 6.272 -6.857 -7.089 37 HG3 LYS 4 2HG LYS 4 5.786 -5.332 -6.348 38 HD2 LYS 4 1HD LYS 4 5.232 -4.388 -8.523 39 HD3 LYS 4 2HD LYS 4 5.834 -5.847 -9.362 40 HE2 LYS 4 1HE LYS 4 4.091 -7.203 -8.553 41 HE3 LYS 4 2HE LYS 4 3.847 -6.176 -7.134 42 HZ1 LYS 4 3HZ LYS 4 2.029 -5.937 -8.515 43 HZ2 LYS 4 1HZ LYS 4 2.856 -4.522 -8.534 44 HZ3 LYS 4 2HZ LYS 4 2.929 -5.539 -9.843 45 H LYS 5 H LYS 5 8.988 -4.592 -3.615 46 HA LYS 5 HA LYS 5 8.378 -7.318 -2.709 47 HB2 LYS 5 1HB LYS 5 9.344 -4.811 -1.292 48 HB3 LYS 5 2HB LYS 5 9.024 -6.317 -0.435 49 HG2 LYS 5 1HG LYS 5 10.819 -6.404 -2.853 50 HG3 LYS 5 2HG LYS 5 11.441 -5.747 -1.337 51 HD2 LYS 5 1HD LYS 5 10.726 -7.965 -0.279 52 HD3 LYS 5 2HD LYS 5 10.404 -8.553 -1.913 53 HE2 LYS 5 1HE LYS 5 13.043 -7.268 -1.101 54 HE3 LYS 5 2HE LYS 5 12.765 -8.995 -0.896 55 HZ1 LYS 5 3HZ LYS 5 13.934 -8.132 -2.909 56 HZ2 LYS 5 1HZ LYS 5 12.774 -9.305 -3.143 57 HZ3 LYS 5 2HZ LYS 5 12.453 -7.735 -3.535 58 H TYR 6 H TYR 6 7.114 -7.462 -0.614 59 HA TYR 6 HA TYR 6 4.583 -5.911 -0.606 60 HB2 TYR 6 1HB TYR 6 5.018 -8.927 -0.457 61 HB3 TYR 6 2HB TYR 6 3.477 -8.127 -0.207 62 HD1 TYR 6 2HD TYR 6 6.139 -8.741 -2.775 63 HD2 TYR 6 1HD TYR 6 2.052 -7.610 -2.019 64 HE1 TYR 6 2HE TYR 6 5.719 -8.729 -5.174 65 HE2 TYR 6 1HE TYR 6 1.557 -7.780 -4.444 66 HH TYR 6 HH TYR 6 4.010 -8.763 -6.881 67 H THR 7 H THR 7 3.348 -6.421 1.550 68 HA THR 7 HA THR 7 5.250 -6.538 3.780 69 HB THR 7 HB THR 7 3.529 -5.287 4.941 70 HG1 THR 7 1HG THR 7 1.582 -4.759 3.941 71 HG21 THR 7 3HG2 THR 7 5.017 -3.935 3.527 72 HG22 THR 7 1HG2 THR 7 3.831 -4.027 2.195 73 HG23 THR 7 2HG2 THR 7 3.392 -3.229 3.713 74 H LYS 8 H LYS 8 3.967 -7.233 5.713 75 HA LYS 8 HA LYS 8 2.990 -9.987 5.277 76 HB2 LYS 8 1HB LYS 8 3.219 -8.576 7.972 77 HB3 LYS 8 2HB LYS 8 3.158 -10.288 7.615 78 HG2 LYS 8 1HG LYS 8 5.381 -10.017 6.375 79 HG3 LYS 8 2HG LYS 8 5.430 -8.343 6.940 80 HD2 LYS 8 1HD LYS 8 6.833 -9.687 8.327 81 HD3 LYS 8 2HD LYS 8 5.451 -9.140 9.276 82 HE2 LYS 8 1HE LYS 8 4.708 -11.239 9.608 83 HE3 LYS 8 2HE LYS 8 4.859 -11.634 7.895 84 HZ1 LYS 8 3HZ LYS 8 7.170 -12.135 8.202 85 HZ2 LYS 8 1HZ LYS 8 7.106 -11.750 9.794 86 HZ3 LYS 8 2HZ LYS 8 6.261 -13.041 9.229 87 H THR 9 H THR 9 1.753 -6.738 6.111 88 HA THR 9 HA THR 9 -0.857 -7.690 6.845 89 HB THR 9 HB THR 9 -1.042 -5.087 7.170 90 HG1 THR 9 1HG THR 9 0.732 -4.389 6.035 91 HG21 THR 9 3HG2 THR 9 -0.710 -6.673 9.027 92 HG22 THR 9 1HG2 THR 9 1.029 -6.782 8.679 93 HG23 THR 9 2HG2 THR 9 0.326 -5.253 9.240 94 H HIS 10 H HIS 10 -0.101 -8.149 3.956 95 HA HIS 10 HA HIS 10 -1.211 -8.168 2.000 96 HB2 HIS 10 1HB HIS 10 -3.643 -6.929 3.274 97 HB3 HIS 10 2HB HIS 10 -3.534 -8.038 1.914 98 HD1 HIS 10 1HD HIS 10 -2.870 -10.710 2.572 99 HD2 HIS 10 2HD HIS 10 -3.928 -7.988 5.654 100 HE1 HIS 10 1HE HIS 10 -3.485 -12.097 4.584 101 HE2 HIS 10 2HE HIS 10 -4.076 -10.492 6.482 102 H GLU 11 H GLU 11 0.533 -6.023 2.236 103 HA GLU 11 HA GLU 11 -0.772 -4.119 0.410 104 HB2 GLU 11 1HB GLU 11 1.383 -3.210 2.339 105 HB3 GLU 11 2HB GLU 11 0.522 -2.282 1.161 106 HG2 GLU 11 1HG GLU 11 -0.641 -1.592 2.894 107 HG3 GLU 11 2HG GLU 11 -1.640 -2.991 2.559 108 H TRP 12 H TRP 12 0.539 -3.409 -1.251 109 HA TRP 12 HA TRP 12 3.053 -4.985 -1.695 110 HB2 TRP 12 1HB TRP 12 2.724 -4.482 -4.070 111 HB3 TRP 12 2HB TRP 12 1.422 -5.415 -3.378 112 HD1 TRP 12 HD TRP 12 -0.913 -4.434 -3.196 113 HE1 TRP 12 1HE TRP 12 -2.135 -2.519 -4.303 114 HE3 TRP 12 3HE TRP 12 3.126 -1.731 -4.886 115 HZ2 TRP 12 2HZ TRP 12 -1.505 -0.330 -5.999 116 HZ3 TRP 12 3HZ TRP 12 2.741 0.225 -6.328 117 HH2 TRP 12 HH TRP 12 0.442 0.962 -6.897 118 H VAL 13 H VAL 13 4.708 -3.799 -3.036 119 HA VAL 13 HA VAL 13 4.796 -0.887 -2.593 120 HB VAL 13 HB VAL 13 7.275 -2.604 -2.329 121 HG11 VAL 13 1HG1 VAL 13 6.445 0.030 -1.097 122 HG12 VAL 13 2HG1 VAL 13 8.019 -0.789 -0.902 123 HG13 VAL 13 3HG1 VAL 13 7.522 -0.270 -2.493 124 HG21 VAL 13 3HG2 VAL 13 5.873 -3.687 -0.609 125 HG22 VAL 13 1HG2 VAL 13 7.029 -2.629 0.178 126 HG23 VAL 13 2HG2 VAL 13 5.332 -2.114 -0.032 127 H SER 14 H SER 14 5.956 0.160 -4.310 128 HA SER 14 HA SER 14 7.223 -1.479 -6.444 129 HB2 SER 14 1HB SER 14 4.809 0.283 -6.654 130 HB3 SER 14 2HB SER 14 6.074 0.574 -7.831 131 HG SER 14 HG SER 14 4.750 -0.973 -8.694 132 H ILE 15 H ILE 15 9.128 -0.901 -5.614 133 HA ILE 15 HA ILE 15 9.960 1.872 -5.450 134 HB ILE 15 HB ILE 15 11.092 -0.879 -5.129 135 HG12 ILE 15 1HG1 ILE 15 12.047 0.850 -3.111 136 HG13 ILE 15 2HG1 ILE 15 10.379 1.304 -3.448 137 HG21 ILE 15 1HG2 ILE 15 13.090 1.384 -5.379 138 HG22 ILE 15 2HG2 ILE 15 13.415 -0.278 -4.823 139 HG23 ILE 15 3HG2 ILE 15 12.893 -0.004 -6.465 140 HD11 ILE 15 3HD1 ILE 15 11.156 -1.559 -2.900 141 HD12 ILE 15 1HD1 ILE 15 10.680 -0.414 -1.629 142 HD13 ILE 15 2HD1 ILE 15 9.555 -0.854 -2.960 143 H GLU 16 H GLU 16 11.372 2.825 -6.938 144 HA GLU 16 HA GLU 16 11.505 1.689 -9.671 145 HB2 GLU 16 1HB GLU 16 10.726 4.035 -10.413 146 HB3 GLU 16 2HB GLU 16 9.539 2.828 -9.926 147 HG2 GLU 16 1HG GLU 16 9.167 3.883 -7.796 148 HG3 GLU 16 2HG GLU 16 10.502 5.015 -8.029 149 H ASP 17 H ASP 17 12.173 4.638 -7.813 150 HA ASP 17 HA ASP 17 14.916 4.871 -8.950 151 HB2 ASP 17 1HB ASP 17 13.119 6.311 -10.023 152 HB3 ASP 17 2HB ASP 17 12.911 7.148 -8.507 153 H LYS 18 H LYS 18 12.949 6.682 -6.755 154 HA LYS 18 HA LYS 18 14.421 5.916 -4.309 155 HB2 LYS 18 1HB LYS 18 14.104 8.815 -5.174 156 HB3 LYS 18 2HB LYS 18 14.558 8.300 -3.558 157 HG2 LYS 18 1HG LYS 18 16.559 7.179 -4.379 158 HG3 LYS 18 2HG LYS 18 16.226 7.699 -6.030 159 HD2 LYS 18 1HD LYS 18 16.360 9.781 -3.819 160 HD3 LYS 18 2HD LYS 18 17.850 9.092 -4.443 161 HE2 LYS 18 1HE LYS 18 17.266 9.710 -6.736 162 HE3 LYS 18 2HE LYS 18 15.733 10.399 -6.190 163 HZ1 LYS 18 3HZ LYS 18 16.875 12.088 -5.050 164 HZ2 LYS 18 1HZ LYS 18 18.352 11.342 -5.203 165 HZ3 LYS 18 2HZ LYS 18 17.581 11.995 -6.514 166 H VAL 19 H VAL 19 11.546 5.918 -5.734 167 HA VAL 19 HA VAL 19 10.001 6.747 -3.348 168 HB VAL 19 HB VAL 19 9.310 7.111 -6.295 169 HG11 VAL 19 1HG1 VAL 19 7.313 8.338 -5.509 170 HG12 VAL 19 2HG1 VAL 19 7.274 6.663 -4.987 171 HG13 VAL 19 3HG1 VAL 19 7.713 7.936 -3.823 172 HG21 VAL 19 3HG2 VAL 19 9.936 9.173 -4.125 173 HG22 VAL 19 1HG2 VAL 19 10.902 8.850 -5.585 174 HG23 VAL 19 2HG2 VAL 19 9.299 9.563 -5.736 175 H ALA 20 H ALA 20 8.089 5.337 -3.050 176 HA ALA 20 HA ALA 20 7.903 2.936 -4.784 177 HB1 ALA 20 1HB ALA 20 8.735 2.187 -2.495 178 HB2 ALA 20 2HB ALA 20 7.366 3.048 -1.772 179 HB3 ALA 20 3HB ALA 20 7.073 1.686 -2.847 180 H THR 21 H THR 21 5.933 2.654 -5.519 181 HA THR 21 HA THR 21 3.673 4.242 -4.376 182 HB THR 21 HB THR 21 3.521 2.137 -6.554 183 HG1 THR 21 1HG THR 21 3.646 3.925 -7.970 184 HG21 THR 21 3HG2 THR 21 1.684 4.498 -5.892 185 HG22 THR 21 1HG2 THR 21 1.468 3.348 -7.218 186 HG23 THR 21 2HG2 THR 21 1.328 2.804 -5.543 187 H VAL 22 H VAL 22 2.167 3.422 -2.996 188 HA VAL 22 HA VAL 22 2.269 0.579 -2.173 189 HB VAL 22 HB VAL 22 1.292 2.987 -0.577 190 HG11 VAL 22 1HG1 VAL 22 0.469 0.775 0.197 191 HG12 VAL 22 2HG1 VAL 22 2.142 0.203 0.341 192 HG13 VAL 22 3HG1 VAL 22 1.529 1.533 1.368 193 HG21 VAL 22 3HG2 VAL 22 3.621 3.470 -0.910 194 HG22 VAL 22 1HG2 VAL 22 3.434 2.834 0.719 195 HG23 VAL 22 2HG2 VAL 22 4.087 1.788 -0.576 196 H GLY 23 H GLY 23 0.332 -0.549 -2.073 197 HA2 GLY 23 1HA GLY 23 -2.106 0.766 -1.616 198 HA3 GLY 23 2HA GLY 23 -2.189 -0.022 -3.156 199 H ILE 24 H ILE 24 -3.878 -1.135 -1.431 200 HA ILE 24 HA ILE 24 -2.627 -3.237 0.200 201 HB ILE 24 HB ILE 24 -4.784 -4.028 0.716 202 HG12 ILE 24 1HG1 ILE 24 -5.920 -2.084 -1.321 203 HG13 ILE 24 2HG1 ILE 24 -5.917 -3.843 -1.454 204 HG21 ILE 24 1HG2 ILE 24 -3.880 -2.018 1.871 205 HG22 ILE 24 2HG2 ILE 24 -4.884 -0.992 0.816 206 HG23 ILE 24 3HG2 ILE 24 -5.637 -2.148 1.936 207 HD11 ILE 24 3HD1 ILE 24 -7.291 -3.900 0.720 208 HD12 ILE 24 1HD1 ILE 24 -7.522 -2.164 0.477 209 HD13 ILE 24 2HD1 ILE 24 -8.102 -3.300 -0.736 210 H THR 25 H THR 25 -3.061 -5.585 -0.355 211 HA THR 25 HA THR 25 -2.750 -6.026 -3.233 212 HB THR 25 HB THR 25 -2.367 -8.318 -2.496 213 HG1 THR 25 1HG THR 25 -2.294 -8.881 -0.427 214 HG21 THR 25 3HG2 THR 25 -0.476 -6.748 -2.585 215 HG22 THR 25 1HG2 THR 25 -0.818 -6.211 -0.928 216 HG23 THR 25 2HG2 THR 25 -0.256 -7.856 -1.226 217 H ASN 26 H ASN 26 -3.867 -7.955 -4.271 218 HA ASN 26 HA ASN 26 -6.718 -7.712 -4.269 219 HB2 ASN 26 1HB ASN 26 -6.626 -9.018 -5.978 220 HB3 ASN 26 2HB ASN 26 -4.982 -8.393 -6.083 221 HD21 ASN 26 1HD2 ASN 26 -7.023 -11.197 -5.843 222 HD22 ASN 26 2HD2 ASN 26 -5.801 -12.425 -5.752 223 H HIS 27 H HIS 27 -5.099 -9.072 -2.110 224 HA HIS 27 HA HIS 27 -7.023 -11.299 -1.298 225 HB2 HIS 27 1HB HIS 27 -4.443 -11.509 -1.137 226 HB3 HIS 27 2HB HIS 27 -4.563 -10.471 0.266 227 HD1 HIS 27 1HD HIS 27 -4.980 -14.021 -0.869 228 HD2 HIS 27 2HD HIS 27 -5.786 -11.625 2.520 229 HE1 HIS 27 1HE HIS 27 -5.215 -15.637 1.149 230 HE2 HIS 27 2HE HIS 27 -5.568 -14.206 3.212 231 H ALA 28 H ALA 28 -6.876 -8.040 -0.986 232 HA ALA 28 HA ALA 28 -7.646 -7.914 1.906 233 HB1 ALA 28 1HB ALA 28 -6.245 -5.905 0.130 234 HB2 ALA 28 2HB ALA 28 -6.378 -5.842 1.900 235 HB3 ALA 28 3HB ALA 28 -5.410 -7.108 1.126 236 H GLN 29 H GLN 29 -8.028 -6.114 -1.131 237 HA GLN 29 HA GLN 29 -10.314 -4.600 -0.784 238 HB2 GLN 29 1HB GLN 29 -10.085 -4.259 -3.040 239 HB3 GLN 29 2HB GLN 29 -8.473 -4.890 -2.640 240 HG2 GLN 29 1HG GLN 29 -10.469 -6.304 -4.287 241 HG3 GLN 29 2HG GLN 29 -8.951 -5.644 -4.696 242 HE21 GLN 29 1HE2 GLN 29 -9.720 -8.322 -5.280 243 HE22 GLN 29 2HE2 GLN 29 -8.705 -9.218 -4.116 244 H GLU 30 H GLU 30 -9.951 -7.986 -1.667 245 HA GLU 30 HA GLU 30 -12.492 -8.829 -2.320 246 HB2 GLU 30 1HB GLU 30 -9.865 -9.894 -1.367 247 HB3 GLU 30 2HB GLU 30 -11.154 -10.958 -0.994 248 HG2 GLU 30 1HG GLU 30 -11.207 -9.895 -3.783 249 HG3 GLU 30 2HG GLU 30 -9.790 -10.835 -3.364 250 H GLN 31 H GLN 31 -11.000 -8.743 0.968 251 HA GLN 31 HA GLN 31 -13.407 -9.794 2.215 252 HB2 GLN 31 1HB GLN 31 -10.957 -8.417 3.406 253 HB3 GLN 31 2HB GLN 31 -12.202 -9.274 4.316 254 HG2 GLN 31 1HG GLN 31 -10.270 -10.555 2.317 255 HG3 GLN 31 2HG GLN 31 -10.195 -10.608 4.074 256 HE21 GLN 31 1HE2 GLN 31 -11.228 -12.190 5.150 257 HE22 GLN 31 2HE2 GLN 31 -12.369 -13.321 4.456 258 H LEU 32 H LEU 32 -12.046 -6.600 1.622 259 HA LEU 32 HA LEU 32 -13.796 -5.116 3.368 260 HB2 LEU 32 1HB LEU 32 -11.942 -4.485 1.060 261 HB3 LEU 32 2HB LEU 32 -13.081 -3.269 1.551 262 HG LEU 32 HG LEU 32 -10.563 -3.513 2.516 263 HD11 LEU 32 1HD1 LEU 32 -12.862 -2.385 4.149 264 HD12 LEU 32 2HD1 LEU 32 -11.153 -1.937 4.269 265 HD13 LEU 32 3HD1 LEU 32 -12.053 -1.579 2.795 266 HD21 LEU 32 3HD2 LEU 32 -10.929 -5.605 3.770 267 HD22 LEU 32 1HD2 LEU 32 -10.586 -4.254 4.864 268 HD23 LEU 32 2HD2 LEU 32 -12.219 -4.836 4.713 269 H GLY 33 H GLY 33 -13.951 -5.805 -0.179 270 HA2 GLY 33 1HA GLY 33 -15.866 -6.069 -1.453 271 HA3 GLY 33 2HA GLY 33 -16.875 -5.614 -0.046 272 H ASP 34 H ASP 34 -18.033 -4.283 -1.435 273 HA ASP 34 HA ASP 34 -17.241 -2.251 -3.148 274 HB2 ASP 34 1HB ASP 34 -19.649 -3.234 -2.056 275 HB3 ASP 34 2HB ASP 34 -19.604 -1.596 -1.487 276 H VAL 35 H VAL 35 -16.361 -0.166 -2.835 277 HA VAL 35 HA VAL 35 -16.223 0.711 -0.026 278 HB VAL 35 HB VAL 35 -14.457 -0.458 -0.359 279 HG11 VAL 35 1HG1 VAL 35 -13.616 -0.567 -2.395 280 HG12 VAL 35 2HG1 VAL 35 -13.041 1.138 -2.218 281 HG13 VAL 35 3HG1 VAL 35 -12.374 -0.134 -1.214 282 HG21 VAL 35 3HG2 VAL 35 -13.518 2.335 0.076 283 HG22 VAL 35 1HG2 VAL 35 -14.537 1.397 1.185 284 HG23 VAL 35 2HG2 VAL 35 -12.907 0.843 0.808 285 H VAL 36 H VAL 36 -15.581 2.699 0.436 286 HA VAL 36 HA VAL 36 -17.333 4.637 -0.937 287 HB VAL 36 HB VAL 36 -18.423 4.539 1.404 288 HG11 VAL 36 1HG1 VAL 36 -18.897 2.152 -0.452 289 HG12 VAL 36 2HG1 VAL 36 -20.078 2.870 0.661 290 HG13 VAL 36 3HG1 VAL 36 -19.506 3.787 -0.742 291 HG21 VAL 36 3HG2 VAL 36 -18.578 2.371 2.515 292 HG22 VAL 36 1HG2 VAL 36 -17.212 1.800 1.555 293 HG23 VAL 36 2HG2 VAL 36 -17.031 3.161 2.680 294 H TYR 37 H TYR 37 -14.964 3.834 1.586 295 HA TYR 37 HA TYR 37 -14.164 6.676 1.440 296 HB2 TYR 37 1HB TYR 37 -15.709 6.749 3.362 297 HB3 TYR 37 2HB TYR 37 -14.803 5.466 4.153 298 HD1 TYR 37 2HD TYR 37 -14.363 8.891 2.654 299 HD2 TYR 37 1HD TYR 37 -12.929 6.044 5.585 300 HE1 TYR 37 2HE TYR 37 -12.625 10.493 3.376 301 HE2 TYR 37 1HE TYR 37 -11.167 7.630 6.257 302 HH TYR 37 HH TYR 37 -10.466 9.958 6.112 303 H VAL 38 H VAL 38 -12.037 7.149 2.027 304 HA VAL 38 HA VAL 38 -10.423 5.286 3.414 305 HB VAL 38 HB VAL 38 -10.183 4.062 1.423 306 HG11 VAL 38 1HG1 VAL 38 -11.177 5.542 -0.243 307 HG12 VAL 38 2HG1 VAL 38 -9.791 6.636 -0.116 308 HG13 VAL 38 3HG1 VAL 38 -9.584 4.988 -0.776 309 HG21 VAL 38 3HG2 VAL 38 -7.946 4.164 0.836 310 HG22 VAL 38 1HG2 VAL 38 -7.791 5.899 1.214 311 HG23 VAL 38 2HG2 VAL 38 -7.988 4.705 2.512 312 H ASP 39 H ASP 39 -8.895 6.182 4.446 313 HA ASP 39 HA ASP 39 -8.653 9.014 4.376 314 HB2 ASP 39 1HB ASP 39 -8.423 7.635 6.535 315 HB3 ASP 39 2HB ASP 39 -6.962 6.961 5.873 316 H LEU 40 H LEU 40 -6.707 10.164 3.659 317 HA LEU 40 HA LEU 40 -4.480 8.503 2.718 318 HB2 LEU 40 1HB LEU 40 -5.745 10.730 1.053 319 HB3 LEU 40 2HB LEU 40 -4.067 10.303 0.916 320 HG LEU 40 HG LEU 40 -5.334 7.785 0.838 321 HD11 LEU 40 1HD1 LEU 40 -7.504 9.075 0.485 322 HD12 LEU 40 2HD1 LEU 40 -6.820 9.607 -1.079 323 HD13 LEU 40 3HD1 LEU 40 -7.092 7.890 -0.719 324 HD21 LEU 40 3HD2 LEU 40 -3.381 8.500 -0.406 325 HD22 LEU 40 1HD2 LEU 40 -4.607 7.742 -1.435 326 HD23 LEU 40 2HD2 LEU 40 -4.425 9.509 -1.458 327 HA PRO 41 HA PRO 41 -2.345 11.361 5.220 328 HB2 PRO 41 1HB PRO 41 0.207 10.831 4.573 329 HB3 PRO 41 2HB PRO 41 -0.890 9.645 5.331 330 HG2 PRO 41 1HG PRO 41 -0.109 9.786 2.421 331 HG3 PRO 41 2HG PRO 41 -0.272 8.351 3.491 332 HD2 PRO 41 1HD PRO 41 -2.208 9.288 1.741 333 HD3 PRO 41 2HD PRO 41 -2.492 8.230 3.150 334 H GLU 42 H GLU 42 -0.515 13.060 5.071 335 HA GLU 42 HA GLU 42 -0.991 14.856 2.776 336 HB2 GLU 42 1HB GLU 42 -0.652 15.670 5.208 337 HB3 GLU 42 2HB GLU 42 1.051 15.236 4.996 338 HG2 GLU 42 1HG GLU 42 1.008 16.717 2.885 339 HG3 GLU 42 2HG GLU 42 -0.597 17.239 3.402 340 H VAL 43 H VAL 43 0.469 15.256 1.220 341 HA VAL 43 HA VAL 43 2.314 13.291 0.458 342 HB VAL 43 HB VAL 43 0.634 14.962 -0.752 343 HG11 VAL 43 1HG1 VAL 43 1.965 16.986 0.095 344 HG12 VAL 43 2HG1 VAL 43 3.164 16.559 -1.153 345 HG13 VAL 43 3HG1 VAL 43 1.503 16.971 -1.629 346 HG21 VAL 43 3HG2 VAL 43 3.227 14.395 -2.115 347 HG22 VAL 43 1HG2 VAL 43 1.892 13.229 -1.874 348 HG23 VAL 43 2HG2 VAL 43 1.647 14.685 -2.869 349 H GLY 44 H GLY 44 3.106 14.681 2.883 350 HA2 GLY 44 1HA GLY 44 5.965 14.909 2.268 351 HA3 GLY 44 2HA GLY 44 5.258 16.370 2.966 352 H ARG 45 H ARG 45 3.683 13.493 4.204 353 HA ARG 45 HA ARG 45 4.885 14.178 6.803 354 HB2 ARG 45 1HB ARG 45 2.384 13.444 6.213 355 HB3 ARG 45 2HB ARG 45 3.077 11.813 6.356 356 HG2 ARG 45 1HG ARG 45 3.987 12.590 8.661 357 HG3 ARG 45 2HG ARG 45 3.044 14.080 8.438 358 HD2 ARG 45 1HD ARG 45 0.993 12.592 8.182 359 HD3 ARG 45 2HD ARG 45 2.065 11.239 8.535 360 HE ARG 45 HE ARG 45 1.931 11.701 10.750 361 HH11 ARG 45 2HH2 ARG 45 0.815 14.660 9.051 362 HH12 ARG 45 1HH2 ARG 45 0.122 15.335 10.489 363 HH21 ARG 45 2HH1 ARG 45 1.035 12.742 12.664 364 HH22 ARG 45 1HH1 ARG 45 0.156 14.211 12.464 365 H GLU 46 H GLU 46 6.294 12.781 8.066 366 HA GLU 46 HA GLU 46 7.611 10.586 6.598 367 HB2 GLU 46 1HB GLU 46 8.034 11.983 9.259 368 HB3 GLU 46 2HB GLU 46 8.767 10.420 8.885 369 HG2 GLU 46 1HG GLU 46 9.805 11.365 6.837 370 HG3 GLU 46 2HG GLU 46 9.092 12.942 7.213 371 H VAL 47 H VAL 47 7.496 8.407 7.302 372 HA VAL 47 HA VAL 47 5.423 7.664 9.245 373 HB VAL 47 HB VAL 47 4.270 6.239 7.681 374 HG11 VAL 47 1HG1 VAL 47 4.494 8.977 6.362 375 HG12 VAL 47 2HG1 VAL 47 3.146 7.848 6.268 376 HG13 VAL 47 3HG1 VAL 47 3.530 8.627 7.810 377 HG21 VAL 47 3HG2 VAL 47 6.053 7.273 5.439 378 HG22 VAL 47 1HG2 VAL 47 6.118 5.637 6.134 379 HG23 VAL 47 2HG2 VAL 47 4.670 6.178 5.279 380 H LYS 48 H LYS 48 5.411 5.132 9.367 381 HA LYS 48 HA LYS 48 8.191 4.068 9.213 382 HB2 LYS 48 1HB LYS 48 6.069 3.823 11.386 383 HB3 LYS 48 2HB LYS 48 7.221 2.533 11.099 384 HG2 LYS 48 1HG LYS 48 8.940 4.661 11.175 385 HG3 LYS 48 2HG LYS 48 7.707 5.192 12.325 386 HD2 LYS 48 1HD LYS 48 9.141 2.483 12.330 387 HD3 LYS 48 2HD LYS 48 9.628 3.851 13.314 388 HE2 LYS 48 1HE LYS 48 6.761 3.011 13.545 389 HE3 LYS 48 2HE LYS 48 7.945 1.860 14.149 390 HZ1 LYS 48 3HZ LYS 48 8.703 3.375 15.728 391 HZ2 LYS 48 1HZ LYS 48 8.064 4.668 14.969 392 HZ3 LYS 48 2HZ LYS 48 7.059 3.606 15.733 393 H LYS 49 H LYS 49 8.263 1.768 8.987 394 HA LYS 49 HA LYS 49 6.608 0.608 7.036 395 HB2 LYS 49 1HB LYS 49 8.049 -1.231 7.236 396 HB3 LYS 49 2HB LYS 49 9.001 0.185 7.647 397 HG2 LYS 49 1HG LYS 49 8.836 -0.383 10.061 398 HG3 LYS 49 2HG LYS 49 7.889 -1.842 9.649 399 HD2 LYS 49 1HD LYS 49 9.713 -2.589 8.145 400 HD3 LYS 49 2HD LYS 49 10.629 -1.138 8.609 401 HE2 LYS 49 1HE LYS 49 10.823 -1.893 10.886 402 HE3 LYS 49 2HE LYS 49 9.790 -3.308 10.564 403 HZ1 LYS 49 3HZ LYS 49 11.439 -4.107 9.031 404 HZ2 LYS 49 1HZ LYS 49 12.308 -2.725 9.144 405 HZ3 LYS 49 2HZ LYS 49 12.219 -3.769 10.438 406 H GLY 50 H GLY 50 5.201 1.328 9.592 407 HA2 GLY 50 1HA GLY 50 3.217 -0.673 9.467 408 HA3 GLY 50 2HA GLY 50 4.077 -0.851 11.016 409 H GLU 51 H GLU 51 2.701 1.731 8.862 410 HA GLU 51 HA GLU 51 1.696 3.165 11.240 411 HB2 GLU 51 1HB GLU 51 3.983 3.984 10.210 412 HB3 GLU 51 2HB GLU 51 2.991 4.555 8.873 413 HG2 GLU 51 1HG GLU 51 3.277 6.399 10.301 414 HG3 GLU 51 2HG GLU 51 1.642 5.842 10.666 415 H VAL 52 H VAL 52 -0.362 3.876 10.930 416 HA VAL 52 HA VAL 52 -1.777 2.453 8.810 417 HB VAL 52 HB VAL 52 -2.392 3.579 11.559 418 HG11 VAL 52 1HG1 VAL 52 -4.627 2.429 11.333 419 HG12 VAL 52 2HG1 VAL 52 -4.451 4.041 10.665 420 HG13 VAL 52 3HG1 VAL 52 -4.422 2.662 9.563 421 HG21 VAL 52 3HG2 VAL 52 -2.869 1.113 11.934 422 HG22 VAL 52 1HG2 VAL 52 -2.210 0.837 10.315 423 HG23 VAL 52 2HG2 VAL 52 -1.185 1.534 11.573 424 H VAL 53 H VAL 53 -0.673 4.378 7.490 425 HA VAL 53 HA VAL 53 -1.945 6.880 8.084 426 HB VAL 53 HB VAL 53 -0.295 7.760 6.376 427 HG11 VAL 53 1HG1 VAL 53 0.213 7.452 8.803 428 HG12 VAL 53 2HG1 VAL 53 0.882 5.850 8.427 429 HG13 VAL 53 3HG1 VAL 53 1.629 7.303 7.774 430 HG21 VAL 53 3HG2 VAL 53 1.409 6.275 5.463 431 HG22 VAL 53 1HG2 VAL 53 0.593 4.857 6.143 432 HG23 VAL 53 2HG2 VAL 53 -0.189 5.813 4.865 433 H ALA 54 H ALA 54 -3.434 4.637 6.515 434 HA ALA 54 HA ALA 54 -4.882 6.376 4.684 435 HB1 ALA 54 1HB ALA 54 -4.291 4.935 2.691 436 HB2 ALA 54 2HB ALA 54 -2.908 5.841 3.332 437 HB3 ALA 54 3HB ALA 54 -3.082 4.114 3.731 438 H SER 55 H SER 55 -6.004 5.206 6.857 439 HA SER 55 HA SER 55 -6.782 2.473 6.599 440 HB2 SER 55 1HB SER 55 -7.075 4.345 8.541 441 HB3 SER 55 2HB SER 55 -8.677 4.404 7.864 442 HG SER 55 HG SER 55 -7.481 2.336 9.342 443 H ILE 56 H ILE 56 -8.711 1.602 5.914 444 HA ILE 56 HA ILE 56 -10.221 3.121 3.792 445 HB ILE 56 HB ILE 56 -9.635 0.135 3.852 446 HG12 ILE 56 1HG1 ILE 56 -8.270 2.222 2.210 447 HG13 ILE 56 2HG1 ILE 56 -7.540 1.282 3.516 448 HG21 ILE 56 1HG2 ILE 56 -10.597 0.093 1.599 449 HG22 ILE 56 2HG2 ILE 56 -11.754 0.839 2.681 450 HG23 ILE 56 3HG2 ILE 56 -10.788 1.852 1.612 451 HD11 ILE 56 3HD1 ILE 56 -6.837 0.370 1.406 452 HD12 ILE 56 1HD1 ILE 56 -7.871 -0.792 2.267 453 HD13 ILE 56 2HD1 ILE 56 -8.501 0.137 0.876 454 H GLU 57 H GLU 57 -12.526 3.059 4.042 455 HA GLU 57 HA GLU 57 -13.584 1.242 6.080 456 HB2 GLU 57 1HB GLU 57 -13.725 4.014 6.221 457 HB3 GLU 57 2HB GLU 57 -15.191 3.636 5.339 458 HG2 GLU 57 1HG GLU 57 -15.508 1.743 7.036 459 HG3 GLU 57 2HG GLU 57 -14.343 2.628 8.034 460 H SER 58 H SER 58 -14.805 -0.327 5.042 461 HA SER 58 HA SER 58 -15.940 0.352 2.372 462 HB2 SER 58 1HB SER 58 -16.032 -1.985 1.891 463 HB3 SER 58 2HB SER 58 -14.390 -1.527 2.328 464 HG SER 58 HG SER 58 -15.559 -3.459 3.200 465 H VAL 59 H VAL 59 -17.944 -1.523 2.235 466 HA VAL 59 HA VAL 59 -20.105 -0.242 3.278 467 HB VAL 59 HB VAL 59 -21.279 -2.524 2.985 468 HG11 VAL 59 1HG1 VAL 59 -21.385 -0.764 1.345 469 HG12 VAL 59 2HG1 VAL 59 -19.779 -1.168 0.731 470 HG13 VAL 59 3HG1 VAL 59 -21.124 -2.304 0.513 471 HG21 VAL 59 3HG2 VAL 59 -18.615 -3.309 1.714 472 HG22 VAL 59 1HG2 VAL 59 -19.240 -3.981 3.237 473 HG23 VAL 59 2HG2 VAL 59 -20.110 -4.238 1.726 474 H LYS 60 H LYS 60 -18.322 -2.818 5.083 475 HA LYS 60 HA LYS 60 -18.682 -1.206 7.261 476 HB2 LYS 60 1HB LYS 60 -20.981 -2.760 7.193 477 HB3 LYS 60 2HB LYS 60 -20.011 -3.647 8.340 478 HG2 LYS 60 1HG LYS 60 -20.616 -0.666 8.434 479 HG3 LYS 60 2HG LYS 60 -21.425 -1.897 9.404 480 HD2 LYS 60 1HD LYS 60 -19.507 -2.299 10.749 481 HD3 LYS 60 2HD LYS 60 -18.414 -1.588 9.581 482 HE2 LYS 60 1HE LYS 60 -18.408 0.091 11.049 483 HE3 LYS 60 2HE LYS 60 -19.665 0.641 9.950 484 HZ1 LYS 60 3HZ LYS 60 -21.309 -0.124 11.553 485 HZ2 LYS 60 1HZ LYS 60 -20.103 -0.723 12.524 486 HZ3 LYS 60 2HZ LYS 60 -20.220 0.895 12.259 487 H ALA 61 H ALA 61 -16.418 -1.867 6.277 488 HA ALA 61 HA ALA 61 -15.276 -3.469 8.458 489 HB1 ALA 61 1HB ALA 61 -14.050 -3.512 5.684 490 HB2 ALA 61 2HB ALA 61 -13.611 -4.501 7.080 491 HB3 ALA 61 3HB ALA 61 -15.147 -4.785 6.220 492 H ALA 62 H ALA 62 -12.992 -2.882 8.778 493 HA ALA 62 HA ALA 62 -12.164 -0.466 7.388 494 HB1 ALA 62 1HB ALA 62 -10.692 0.215 9.247 495 HB2 ALA 62 2HB ALA 62 -12.392 0.340 9.674 496 HB3 ALA 62 3HB ALA 62 -11.428 -1.027 10.284 497 H ALA 63 H ALA 63 -9.995 -0.566 6.730 498 HA ALA 63 HA ALA 63 -8.289 -2.789 7.630 499 HB1 ALA 63 1HB ALA 63 -8.739 -2.052 4.718 500 HB2 ALA 63 2HB ALA 63 -7.203 -2.724 5.300 501 HB3 ALA 63 3HB ALA 63 -8.674 -3.667 5.503 502 H ASP 64 H ASP 64 -6.810 -1.753 8.729 503 HA ASP 64 HA ASP 64 -6.032 1.029 8.261 504 HB2 ASP 64 1HB ASP 64 -4.967 -1.225 10.035 505 HB3 ASP 64 2HB ASP 64 -4.303 0.405 9.959 506 H VAL 65 H VAL 65 -4.958 1.326 6.281 507 HA VAL 65 HA VAL 65 -3.363 -0.795 5.166 508 HB VAL 65 HB VAL 65 -3.518 2.117 4.410 509 HG11 VAL 65 1HG1 VAL 65 -2.484 1.396 2.282 510 HG12 VAL 65 2HG1 VAL 65 -1.406 0.972 3.600 511 HG13 VAL 65 3HG1 VAL 65 -2.430 -0.275 2.851 512 HG21 VAL 65 3HG2 VAL 65 -4.880 -0.376 3.315 513 HG22 VAL 65 1HG2 VAL 65 -5.638 0.920 4.209 514 HG23 VAL 65 2HG2 VAL 65 -4.996 1.266 2.596 515 H TYR 66 H TYR 66 -1.374 -1.305 6.127 516 HA TYR 66 HA TYR 66 -0.020 0.775 7.702 517 HB2 TYR 66 1HB TYR 66 0.621 -2.178 7.271 518 HB3 TYR 66 2HB TYR 66 1.536 -1.108 8.302 519 HD1 TYR 66 2HD TYR 66 -1.627 -2.893 7.857 520 HD2 TYR 66 1HD TYR 66 0.626 -0.409 10.547 521 HE1 TYR 66 2HE TYR 66 -3.278 -3.347 9.630 522 HE2 TYR 66 1HE TYR 66 -0.949 -0.993 12.388 523 HH TYR 66 HH TYR 66 -3.830 -3.045 11.875 524 H ALA 67 H ALA 67 1.296 2.098 6.667 525 HA ALA 67 HA ALA 67 2.464 1.937 4.177 526 HB1 ALA 67 1HB ALA 67 3.512 3.162 6.746 527 HB2 ALA 67 2HB ALA 67 4.292 3.412 5.171 528 HB3 ALA 67 3HB ALA 67 2.628 3.962 5.432 529 HA PRO 68 HA PRO 68 4.748 -1.661 4.550 530 HB2 PRO 68 1HB PRO 68 6.052 -1.813 2.197 531 HB3 PRO 68 2HB PRO 68 4.272 -1.662 2.255 532 HG2 PRO 68 1HG PRO 68 6.221 0.614 1.831 533 HG3 PRO 68 2HG PRO 68 4.799 0.140 0.839 534 HD2 PRO 68 1HD PRO 68 4.580 2.016 2.802 535 HD3 PRO 68 2HD PRO 68 3.283 0.820 2.504 536 H LEU 69 H LEU 69 6.794 1.180 4.060 537 HA LEU 69 HA LEU 69 9.136 -0.103 5.327 538 HB2 LEU 69 1HB LEU 69 9.029 1.601 2.815 539 HB3 LEU 69 2HB LEU 69 10.487 1.430 3.761 540 HG LEU 69 HG LEU 69 10.763 0.148 1.889 541 HD11 LEU 69 1HD1 LEU 69 10.097 -1.789 4.150 542 HD12 LEU 69 2HD1 LEU 69 10.983 -2.226 2.676 543 HD13 LEU 69 3HD1 LEU 69 11.678 -1.024 3.763 544 HD21 LEU 69 3HD2 LEU 69 8.201 -1.362 2.342 545 HD22 LEU 69 1HD2 LEU 69 8.412 -0.012 1.204 546 HD23 LEU 69 2HD2 LEU 69 9.329 -1.521 0.989 547 H SER 70 H SER 70 10.523 1.712 6.262 548 HA SER 70 HA SER 70 8.937 4.006 7.213 549 HB2 SER 70 1HB SER 70 11.839 3.186 7.617 550 HB3 SER 70 2HB SER 70 11.021 4.524 8.455 551 HG SER 70 HG SER 70 11.113 2.373 9.513 552 H GLY 71 H GLY 71 9.103 6.133 6.362 553 HA2 GLY 71 1HA GLY 71 10.941 7.023 4.369 554 HA3 GLY 71 2HA GLY 71 9.574 6.200 3.610 555 H LYS 72 H LYS 72 9.462 8.582 2.788 556 HA LYS 72 HA LYS 72 7.585 10.077 4.590 557 HB2 LYS 72 1HB LYS 72 9.956 11.063 3.886 558 HB3 LYS 72 2HB LYS 72 9.144 11.455 2.386 559 HG2 LYS 72 1HG LYS 72 7.378 12.689 3.645 560 HG3 LYS 72 2HG LYS 72 8.160 12.232 5.158 561 HD2 LYS 72 1HD LYS 72 8.849 14.422 4.858 562 HD3 LYS 72 2HD LYS 72 10.235 13.461 4.348 563 HE2 LYS 72 1HE LYS 72 9.282 13.677 1.941 564 HE3 LYS 72 2HE LYS 72 8.131 14.847 2.619 565 HZ1 LYS 72 3HZ LYS 72 11.059 15.060 2.552 566 HZ2 LYS 72 1HZ LYS 72 9.951 16.005 1.746 567 HZ3 LYS 72 2HZ LYS 72 10.095 16.114 3.390 568 H ILE 73 H ILE 73 5.558 10.597 3.702 569 HA ILE 73 HA ILE 73 4.790 9.375 1.176 570 HB ILE 73 HB ILE 73 3.498 11.646 2.668 571 HG12 ILE 73 1HG1 ILE 73 3.625 10.027 4.369 572 HG13 ILE 73 2HG1 ILE 73 2.008 9.944 3.742 573 HG21 ILE 73 1HG2 ILE 73 2.635 11.135 0.327 574 HG22 ILE 73 2HG2 ILE 73 2.139 9.548 0.907 575 HG23 ILE 73 3HG2 ILE 73 1.440 11.038 1.593 576 HD11 ILE 73 3HD1 ILE 73 2.687 7.707 4.089 577 HD12 ILE 73 1HD1 ILE 73 2.756 7.937 2.341 578 HD13 ILE 73 2HD1 ILE 73 4.252 7.957 3.298 579 H VAL 74 H VAL 74 4.754 10.372 -0.884 580 HA VAL 74 HA VAL 74 5.201 13.265 -1.091 581 HB VAL 74 HB VAL 74 7.047 13.038 -2.704 582 HG11 VAL 74 1HG1 VAL 74 7.929 11.697 -0.137 583 HG12 VAL 74 2HG1 VAL 74 8.919 12.618 -1.281 584 HG13 VAL 74 3HG1 VAL 74 7.661 13.442 -0.351 585 HG21 VAL 74 3HG2 VAL 74 6.638 10.768 -3.556 586 HG22 VAL 74 1HG2 VAL 74 8.309 10.948 -3.008 587 HG23 VAL 74 2HG2 VAL 74 7.141 10.079 -1.994 588 H GLU 75 H GLU 75 3.404 10.563 -2.131 589 HA GLU 75 HA GLU 75 2.221 12.451 -3.946 590 HB2 GLU 75 1HB GLU 75 3.887 10.777 -5.268 591 HB3 GLU 75 2HB GLU 75 2.445 9.756 -5.175 592 HG2 GLU 75 1HG GLU 75 1.114 11.597 -6.200 593 HG3 GLU 75 2HG GLU 75 2.578 12.600 -6.248 594 H VAL 76 H VAL 76 -0.098 11.699 -4.467 595 HA VAL 76 HA VAL 76 -1.165 9.580 -2.752 596 HB VAL 76 HB VAL 76 -2.867 11.101 -1.804 597 HG11 VAL 76 1HG1 VAL 76 -0.838 10.604 -0.457 598 HG12 VAL 76 2HG1 VAL 76 -0.077 12.085 -1.082 599 HG13 VAL 76 3HG1 VAL 76 -1.541 12.194 -0.110 600 HG21 VAL 76 3HG2 VAL 76 -2.568 13.546 -1.921 601 HG22 VAL 76 1HG2 VAL 76 -1.191 13.332 -3.032 602 HG23 VAL 76 2HG2 VAL 76 -2.824 12.852 -3.526 603 H ASN 77 H ASN 77 -3.320 8.984 -3.427 604 HA ASN 77 HA ASN 77 -3.960 9.687 -6.232 605 HB2 ASN 77 1HB ASN 77 -3.384 7.299 -5.687 606 HB3 ASN 77 2HB ASN 77 -4.732 7.247 -4.578 607 HD21 ASN 77 1HD2 ASN 77 -5.709 5.532 -5.792 608 HD22 ASN 77 2HD2 ASN 77 -6.729 5.868 -7.145 609 H GLU 78 H GLU 78 -4.850 11.749 -5.110 610 HA GLU 78 HA GLU 78 -6.961 11.604 -3.274 611 HB2 GLU 78 1HB GLU 78 -7.348 13.937 -3.900 612 HB3 GLU 78 2HB GLU 78 -5.636 13.624 -3.631 613 HG2 GLU 78 1HG GLU 78 -5.218 13.558 -6.042 614 HG3 GLU 78 2HG GLU 78 -6.943 13.662 -6.364 615 H LYS 79 H LYS 79 -6.985 10.715 -6.478 616 HA LYS 79 HA LYS 79 -9.704 10.964 -7.190 617 HB2 LYS 79 1HB LYS 79 -7.323 9.430 -8.053 618 HB3 LYS 79 2HB LYS 79 -8.804 8.473 -8.136 619 HG2 LYS 79 1HG LYS 79 -9.821 10.574 -9.248 620 HG3 LYS 79 2HG LYS 79 -8.162 11.076 -9.534 621 HD2 LYS 79 1HD LYS 79 -9.228 8.334 -10.271 622 HD3 LYS 79 2HD LYS 79 -9.292 9.701 -11.397 623 HE2 LYS 79 1HE LYS 79 -6.938 9.861 -11.558 624 HE3 LYS 79 2HE LYS 79 -6.665 8.866 -10.116 625 HZ1 LYS 79 3HZ LYS 79 -7.094 6.965 -11.227 626 HZ2 LYS 79 1HZ LYS 79 -8.091 7.656 -12.354 627 HZ3 LYS 79 2HZ LYS 79 -6.471 7.807 -12.467 628 H LEU 80 H LEU 80 -8.123 8.667 -4.826 629 HA LEU 80 HA LEU 80 -10.279 6.911 -4.658 630 HB2 LEU 80 1HB LEU 80 -8.321 7.983 -2.631 631 HB3 LEU 80 2HB LEU 80 -9.469 6.702 -2.289 632 HG LEU 80 HG LEU 80 -7.165 6.331 -4.303 633 HD11 LEU 80 1HD1 LEU 80 -6.319 4.972 -2.591 634 HD12 LEU 80 2HD1 LEU 80 -6.311 6.750 -2.402 635 HD13 LEU 80 3HD1 LEU 80 -7.457 5.744 -1.446 636 HD21 LEU 80 3HD2 LEU 80 -9.092 4.878 -4.855 637 HD22 LEU 80 1HD2 LEU 80 -7.799 3.970 -4.094 638 HD23 LEU 80 2HD2 LEU 80 -9.253 4.415 -3.159 639 H ASP 81 H ASP 81 -10.391 10.348 -3.802 640 HA ASP 81 HA ASP 81 -12.556 10.228 -1.898 641 HB2 ASP 81 1HB ASP 81 -11.240 12.266 -2.228 642 HB3 ASP 81 2HB ASP 81 -11.724 12.360 -3.913 643 H THR 82 H THR 82 -12.416 9.834 -5.402 644 HA THR 82 HA THR 82 -15.388 9.934 -5.609 645 HB THR 82 HB THR 82 -14.979 10.819 -7.882 646 HG1 THR 82 1HG THR 82 -13.060 10.454 -8.548 647 HG21 THR 82 3HG2 THR 82 -14.374 13.061 -7.213 648 HG22 THR 82 1HG2 THR 82 -15.290 12.304 -5.893 649 HG23 THR 82 2HG2 THR 82 -13.529 12.471 -5.757 650 H GLU 83 H GLU 83 -12.445 8.223 -6.385 651 HA GLU 83 HA GLU 83 -13.989 5.881 -7.344 652 HB2 GLU 83 1HB GLU 83 -11.371 7.186 -8.101 653 HB3 GLU 83 2HB GLU 83 -11.540 5.457 -8.398 654 HG2 GLU 83 1HG GLU 83 -13.191 5.664 -9.954 655 HG3 GLU 83 2HG GLU 83 -13.656 7.313 -9.450 656 HA PRO 84 HA PRO 84 -11.709 4.869 -3.392 657 HB2 PRO 84 1HB PRO 84 -13.858 4.105 -1.844 658 HB3 PRO 84 2HB PRO 84 -13.225 5.763 -1.927 659 HG2 PRO 84 1HG PRO 84 -15.644 4.621 -3.308 660 HG3 PRO 84 2HG PRO 84 -15.426 6.254 -2.622 661 HD2 PRO 84 1HD PRO 84 -15.177 5.534 -5.325 662 HD3 PRO 84 2HD PRO 84 -14.430 6.986 -4.615 663 H GLU 85 H GLU 85 -14.716 3.238 -4.618 664 HA GLU 85 HA GLU 85 -14.186 0.597 -3.920 665 HB2 GLU 85 1HB GLU 85 -16.310 1.113 -4.608 666 HB3 GLU 85 2HB GLU 85 -15.799 2.000 -6.037 667 HG2 GLU 85 1HG GLU 85 -15.494 -1.005 -5.912 668 HG3 GLU 85 2HG GLU 85 -17.034 -0.268 -6.265 669 H LEU 86 H LEU 86 -12.499 2.573 -6.495 670 HA LEU 86 HA LEU 86 -11.808 0.735 -8.299 671 HB2 LEU 86 1HB LEU 86 -11.137 3.352 -7.732 672 HB3 LEU 86 2HB LEU 86 -9.657 2.585 -7.310 673 HG LEU 86 HG LEU 86 -9.357 3.294 -9.496 674 HD11 LEU 86 1HD1 LEU 86 -10.372 0.421 -9.734 675 HD12 LEU 86 2HD1 LEU 86 -9.262 1.196 -10.888 676 HD13 LEU 86 3HD1 LEU 86 -8.752 0.879 -9.206 677 HD21 LEU 86 3HD2 LEU 86 -11.565 3.906 -10.144 678 HD22 LEU 86 1HD2 LEU 86 -10.744 2.953 -11.378 679 HD23 LEU 86 2HD2 LEU 86 -12.032 2.206 -10.365 680 H ILE 87 H ILE 87 -10.596 1.027 -4.990 681 HA ILE 87 HA ILE 87 -8.264 -0.587 -5.270 682 HB ILE 87 HB ILE 87 -10.031 -0.292 -2.807 683 HG12 ILE 87 1HG1 ILE 87 -7.729 1.443 -3.844 684 HG13 ILE 87 2HG1 ILE 87 -9.387 1.934 -3.617 685 HG21 ILE 87 1HG2 ILE 87 -8.340 -2.124 -2.693 686 HG22 ILE 87 2HG2 ILE 87 -7.068 -0.964 -3.130 687 HG23 ILE 87 3HG2 ILE 87 -7.954 -0.820 -1.588 688 HD11 ILE 87 3HD1 ILE 87 -7.319 1.408 -1.498 689 HD12 ILE 87 1HD1 ILE 87 -8.294 2.864 -1.770 690 HD13 ILE 87 2HD1 ILE 87 -9.049 1.405 -1.108 691 H ASN 88 H ASN 88 -11.695 -1.503 -5.364 692 HA ASN 88 HA ASN 88 -11.312 -4.376 -4.932 693 HB2 ASN 88 1HB ASN 88 -13.354 -2.766 -6.533 694 HB3 ASN 88 2HB ASN 88 -13.338 -4.516 -6.375 695 HD21 ASN 88 1HD2 ASN 88 -12.701 -2.272 -3.644 696 HD22 ASN 88 2HD2 ASN 88 -14.005 -2.956 -2.661 697 H LYS 89 H LYS 89 -11.545 -2.195 -7.666 698 HA LYS 89 HA LYS 89 -11.709 -4.125 -9.691 699 HB2 LYS 89 1HB LYS 89 -11.643 -1.235 -9.426 700 HB3 LYS 89 2HB LYS 89 -10.835 -1.758 -10.879 701 HG2 LYS 89 1HG LYS 89 -13.607 -2.675 -10.033 702 HG3 LYS 89 2HG LYS 89 -13.261 -1.335 -11.115 703 HD2 LYS 89 1HD LYS 89 -11.818 -3.533 -12.191 704 HD3 LYS 89 2HD LYS 89 -13.391 -4.179 -11.705 705 HE2 LYS 89 1HE LYS 89 -14.506 -2.355 -13.022 706 HE3 LYS 89 2HE LYS 89 -12.900 -1.789 -13.528 707 HZ1 LYS 89 3HZ LYS 89 -13.647 -3.178 -15.243 708 HZ2 LYS 89 1HZ LYS 89 -12.595 -4.124 -14.405 709 HZ3 LYS 89 2HZ LYS 89 -14.220 -4.329 -14.249 710 H ASP 90 H ASP 90 -9.000 -2.043 -8.641 711 HA ASP 90 HA ASP 90 -7.077 -4.078 -9.529 712 HB2 ASP 90 1HB ASP 90 -7.440 -2.579 -11.524 713 HB3 ASP 90 2HB ASP 90 -6.820 -1.253 -10.606 714 HA PRO 91 HA PRO 91 -6.239 -1.794 -5.576 715 HB2 PRO 91 1HB PRO 91 -5.117 -4.015 -4.250 716 HB3 PRO 91 2HB PRO 91 -6.825 -3.620 -4.198 717 HG2 PRO 91 1HG PRO 91 -5.333 -5.538 -5.985 718 HG3 PRO 91 2HG PRO 91 -6.878 -5.815 -5.150 719 HD2 PRO 91 1HD PRO 91 -6.800 -5.214 -7.765 720 HD3 PRO 91 2HD PRO 91 -8.059 -4.488 -6.732 721 H GLU 92 H GLU 92 -4.258 -3.585 -7.831 722 HA GLU 92 HA GLU 92 -1.845 -2.414 -6.624 723 HB2 GLU 92 1HB GLU 92 -1.731 -4.890 -8.236 724 HB3 GLU 92 2HB GLU 92 -0.480 -4.159 -7.275 725 HG2 GLU 92 1HG GLU 92 -0.979 -5.505 -5.590 726 HG3 GLU 92 2HG GLU 92 -2.485 -4.640 -5.364 727 H GLY 93 H GLY 93 -3.824 -1.485 -8.840 728 HA2 GLY 93 1HA GLY 93 -1.590 -0.476 -10.550 729 HA3 GLY 93 2HA GLY 93 -3.039 -1.124 -11.300 730 H GLU 94 H GLU 94 -5.007 0.017 -11.063 731 HA GLU 94 HA GLU 94 -4.617 2.897 -10.866 732 HB2 GLU 94 1HB GLU 94 -7.132 1.354 -11.514 733 HB3 GLU 94 2HB GLU 94 -6.841 3.088 -11.698 734 HG2 GLU 94 1HG GLU 94 -4.655 2.050 -13.050 735 HG3 GLU 94 2HG GLU 94 -5.857 0.796 -13.349 736 H GLY 95 H GLY 95 -6.198 0.449 -8.820 737 HA2 GLY 95 1HA GLY 95 -7.256 2.430 -6.936 738 HA3 GLY 95 2HA GLY 95 -7.266 0.712 -6.784 739 H TRP 96 H TRP 96 -4.386 2.781 -7.376 740 HA TRP 96 HA TRP 96 -2.989 1.774 -4.989 741 HB2 TRP 96 1HB TRP 96 -1.208 3.282 -5.595 742 HB3 TRP 96 2HB TRP 96 -1.690 2.368 -7.006 743 HD1 TRP 96 HD TRP 96 -3.263 3.782 -8.837 744 HE1 TRP 96 1HE TRP 96 -3.048 6.171 -9.639 745 HE3 TRP 96 3HE TRP 96 -0.556 5.733 -4.916 746 HZ2 TRP 96 2HZ TRP 96 -1.927 8.632 -8.718 747 HZ3 TRP 96 3HZ TRP 96 -0.048 8.224 -4.901 748 HH2 TRP 96 HH TRP 96 -0.606 9.589 -6.854 749 H LEU 97 H LEU 97 -2.161 3.522 -3.393 750 HA LEU 97 HA LEU 97 -4.350 5.554 -2.938 751 HB2 LEU 97 1HB LEU 97 -2.632 4.457 -0.737 752 HB3 LEU 97 2HB LEU 97 -4.110 5.370 -0.594 753 HG LEU 97 HG LEU 97 -4.649 2.815 -1.926 754 HD11 LEU 97 1HD1 LEU 97 -3.458 2.681 0.900 755 HD12 LEU 97 2HD1 LEU 97 -3.879 1.304 -0.145 756 HD13 LEU 97 3HD1 LEU 97 -2.462 2.339 -0.495 757 HD21 LEU 97 3HD2 LEU 97 -6.400 3.892 -0.661 758 HD22 LEU 97 1HD2 LEU 97 -6.009 2.410 0.212 759 HD23 LEU 97 2HD2 LEU 97 -5.426 3.954 0.820 760 H PHE 98 H PHE 98 -0.796 4.869 -2.088 761 HA PHE 98 HA PHE 98 -0.283 7.709 -2.664 762 HB2 PHE 98 1HB PHE 98 0.670 8.132 -0.457 763 HB3 PHE 98 2HB PHE 98 -1.035 7.784 -0.365 764 HD1 PHE 98 1HD PHE 98 2.351 6.577 0.476 765 HD2 PHE 98 2HD PHE 98 -1.870 5.778 0.792 766 HE1 PHE 98 1HE PHE 98 2.764 4.905 2.265 767 HE2 PHE 98 2HE PHE 98 -1.389 3.947 2.409 768 HZ PHE 98 HZ PHE 98 0.919 3.544 3.174 769 H LYS 99 H LYS 99 2.055 8.229 -2.291 770 HA LYS 99 HA LYS 99 3.797 5.906 -2.819 771 HB2 LYS 99 1HB LYS 99 4.198 8.611 -4.154 772 HB3 LYS 99 2HB LYS 99 5.147 7.158 -4.366 773 HG2 LYS 99 1HG LYS 99 3.233 6.018 -5.425 774 HG3 LYS 99 2HG LYS 99 2.268 7.487 -5.270 775 HD2 LYS 99 1HD LYS 99 4.037 8.687 -6.632 776 HD3 LYS 99 2HD LYS 99 4.829 7.125 -6.892 777 HE2 LYS 99 1HE LYS 99 2.861 6.238 -8.018 778 HE3 LYS 99 2HE LYS 99 1.901 7.648 -7.540 779 HZ1 LYS 99 3HZ LYS 99 2.573 7.854 -9.781 780 HZ2 LYS 99 1HZ LYS 99 3.211 9.039 -8.889 781 HZ3 LYS 99 2HZ LYS 99 4.188 7.778 -9.403 782 H MET 100 H MET 100 5.986 6.252 -2.068 783 HA MET 100 HA MET 100 6.391 8.561 -0.316 784 HB2 MET 100 1HB MET 100 7.269 6.607 1.336 785 HB3 MET 100 2HB MET 100 5.699 7.373 1.477 786 HG2 MET 100 1HG MET 100 4.617 5.529 0.281 787 HG3 MET 100 2HG MET 100 6.108 4.697 0.058 788 HE1 MET 100 3HE MET 100 7.670 4.347 2.740 789 HE2 MET 100 1HE MET 100 7.059 5.902 3.369 790 HE3 MET 100 2HE MET 100 6.740 4.414 4.247 791 H GLU 101 H GLU 101 8.571 8.974 0.194 792 HA GLU 101 HA GLU 101 10.558 8.067 -1.700 793 HB2 GLU 101 1HB GLU 101 10.465 10.343 -0.766 794 HB3 GLU 101 2HB GLU 101 10.608 9.701 0.872 795 HG2 GLU 101 1HG GLU 101 12.882 8.832 0.320 796 HG3 GLU 101 2HG GLU 101 12.707 9.449 -1.332 797 H ILE 102 H ILE 102 12.194 6.488 -1.247 798 HA ILE 102 HA ILE 102 11.658 4.816 1.098 799 HB ILE 102 HB ILE 102 13.364 3.315 0.050 800 HG12 ILE 102 1HG1 ILE 102 12.642 4.647 -2.576 801 HG13 ILE 102 2HG1 ILE 102 14.086 5.177 -1.696 802 HG21 ILE 102 1HG2 ILE 102 11.690 2.263 -1.400 803 HG22 ILE 102 2HG2 ILE 102 10.964 2.845 0.087 804 HG23 ILE 102 3HG2 ILE 102 10.732 3.763 -1.420 805 HD11 ILE 102 3HD1 ILE 102 13.721 2.320 -2.548 806 HD12 ILE 102 1HD1 ILE 102 14.599 3.564 -3.465 807 HD13 ILE 102 2HD1 ILE 102 15.143 3.140 -1.838 808 H SER 103 H SER 103 12.495 5.585 2.884 809 HA SER 103 HA SER 103 14.937 7.017 3.130 810 HB2 SER 103 1HB SER 103 12.890 6.363 4.833 811 HB3 SER 103 2HB SER 103 14.107 5.217 5.379 812 HG SER 103 HG SER 103 15.526 7.196 5.441 813 H ASP 104 H ASP 104 14.196 3.555 2.925 814 HA ASP 104 HA ASP 104 17.068 2.787 2.903 815 HB2 ASP 104 1HB ASP 104 14.926 1.585 4.720 816 HB3 ASP 104 2HB ASP 104 16.523 0.908 4.448 817 H GLU 105 H GLU 105 17.034 1.979 0.765 818 HA GLU 105 HA GLU 105 15.006 0.035 -0.193 819 HB2 GLU 105 1HB GLU 105 15.709 1.104 -1.969 820 HB3 GLU 105 2HB GLU 105 17.222 1.641 -1.288 821 HG2 GLU 105 1HG GLU 105 18.372 -0.291 -1.883 822 HG3 GLU 105 2HG GLU 105 16.898 -1.212 -2.229 823 H GLY 106 H GLY 106 17.423 0.080 2.199 824 HA2 GLY 106 1HA GLY 106 18.532 -2.507 2.026 825 HA3 GLY 106 2HA GLY 106 18.191 -1.607 3.508 826 H GLU 107 H GLU 107 15.658 -1.449 3.907 827 HA GLU 107 HA GLU 107 15.218 -4.118 4.797 828 HB2 GLU 107 1HB GLU 107 13.476 -1.632 5.019 829 HB3 GLU 107 2HB GLU 107 13.130 -3.177 5.810 830 HG2 GLU 107 1HG GLU 107 15.494 -2.992 6.844 831 HG3 GLU 107 2HG GLU 107 15.449 -1.295 6.305 832 H LEU 108 H LEU 108 14.133 -2.685 1.798 833 HA LEU 108 HA LEU 108 11.930 -4.108 1.071 834 HB2 LEU 108 1HB LEU 108 14.599 -3.617 -0.287 835 HB3 LEU 108 2HB LEU 108 13.163 -4.189 -1.099 836 HG LEU 108 HG LEU 108 12.061 -2.158 -0.764 837 HD11 LEU 108 1HD1 LEU 108 12.827 -0.130 0.110 838 HD12 LEU 108 2HD1 LEU 108 12.273 -1.369 1.193 839 HD13 LEU 108 3HD1 LEU 108 13.993 -1.130 1.081 840 HD21 LEU 108 3HD2 LEU 108 13.278 -2.268 -2.718 841 HD22 LEU 108 1HD2 LEU 108 13.515 -0.626 -2.101 842 HD23 LEU 108 2HD2 LEU 108 14.791 -1.850 -1.906 843 H GLU 109 H GLU 109 15.376 -5.273 1.343 844 HA GLU 109 HA GLU 109 14.623 -7.857 0.233 845 HB2 GLU 109 1HB GLU 109 17.182 -6.922 1.556 846 HB3 GLU 109 2HB GLU 109 16.982 -8.419 0.669 847 HG2 GLU 109 1HG GLU 109 16.665 -5.609 -0.507 848 HG3 GLU 109 2HG GLU 109 18.112 -6.576 -0.602 849 H ASP 110 H ASP 110 14.412 -6.461 3.323 850 HA ASP 110 HA ASP 110 14.446 -9.015 4.799 851 HB2 ASP 110 1HB ASP 110 15.367 -6.772 5.687 852 HB3 ASP 110 2HB ASP 110 13.684 -6.272 5.865 853 H LEU 111 H LEU 111 12.269 -6.976 3.065 854 HA LEU 111 HA LEU 111 9.747 -7.879 4.303 855 HB2 LEU 111 1HB LEU 111 10.589 -5.979 2.101 856 HB3 LEU 111 2HB LEU 111 8.998 -6.651 2.002 857 HG LEU 111 HG LEU 111 10.104 -4.887 4.204 858 HD11 LEU 111 1HD1 LEU 111 7.823 -4.594 2.186 859 HD12 LEU 111 2HD1 LEU 111 8.398 -3.369 3.339 860 HD13 LEU 111 3HD1 LEU 111 9.444 -3.892 2.003 861 HD21 LEU 111 3HD2 LEU 111 7.482 -6.431 4.078 862 HD22 LEU 111 1HD2 LEU 111 8.649 -6.358 5.415 863 HD23 LEU 111 2HD2 LEU 111 7.671 -4.941 5.032 864 H LEU 112 H LEU 112 8.072 -8.425 2.363 865 HA LEU 112 HA LEU 112 8.915 -11.149 1.753 866 HB2 LEU 112 1HB LEU 112 6.249 -9.705 1.673 867 HB3 LEU 112 2HB LEU 112 6.423 -11.367 1.166 868 HG LEU 112 HG LEU 112 7.295 -10.515 3.934 869 HD11 LEU 112 1HD1 LEU 112 5.176 -9.782 3.898 870 HD12 LEU 112 2HD1 LEU 112 4.534 -11.116 2.892 871 HD13 LEU 112 3HD1 LEU 112 4.964 -11.386 4.597 872 HD21 LEU 112 3HD2 LEU 112 6.746 -12.846 4.562 873 HD22 LEU 112 1HD2 LEU 112 6.355 -13.208 2.867 874 HD23 LEU 112 2HD2 LEU 112 8.017 -12.773 3.336 875 H ASP 113 H ASP 113 9.666 -11.701 -0.193 876 HA ASP 113 HA ASP 113 9.244 -10.200 -2.654 877 HB2 ASP 113 1HB ASP 113 10.471 -12.883 -2.057 878 HB3 ASP 113 2HB ASP 113 10.046 -12.454 -3.692 879 H GLU 114 H GLU 114 8.354 -11.555 -4.528 880 HA GLU 114 HA GLU 114 5.571 -11.186 -4.027 881 HB2 GLU 114 1HB GLU 114 6.808 -10.448 -6.053 882 HB3 GLU 114 2HB GLU 114 7.019 -12.116 -6.549 883 HG2 GLU 114 1HG GLU 114 4.656 -12.418 -6.905 884 HG3 GLU 114 2HG GLU 114 4.274 -10.894 -6.106 885 H GLN 115 H GLN 115 7.327 -14.072 -5.337 886 HA GLN 115 HA GLN 115 5.284 -15.954 -5.373 887 HB2 GLN 115 1HB GLN 115 7.461 -16.197 -6.420 888 HB3 GLN 115 2HB GLN 115 8.307 -15.893 -4.890 889 HG2 GLN 115 1HG GLN 115 7.473 -17.983 -3.963 890 HG3 GLN 115 2HG GLN 115 6.579 -18.289 -5.477 891 HE21 GLN 115 1HE2 GLN 115 9.785 -18.327 -3.903 892 HE22 GLN 115 2HE2 GLN 115 10.589 -19.082 -5.241 893 H ALA 116 H ALA 116 7.473 -14.860 -2.847 894 HA ALA 116 HA ALA 116 6.753 -16.930 -0.978 895 HB1 ALA 116 1HB ALA 116 8.479 -15.636 0.361 896 HB2 ALA 116 2HB ALA 116 8.995 -16.361 -1.151 897 HB3 ALA 116 3HB ALA 116 8.702 -14.616 -1.126 898 H TYR 117 H TYR 117 5.788 -13.534 -1.468 899 HA TYR 117 HA TYR 117 4.264 -13.093 0.899 900 HB2 TYR 117 1HB TYR 117 4.619 -11.160 -0.300 901 HB3 TYR 117 2HB TYR 117 4.570 -11.937 -1.855 902 HD1 TYR 117 2HD TYR 117 2.190 -11.163 0.955 903 HD2 TYR 117 1HD TYR 117 2.815 -11.477 -3.309 904 HE1 TYR 117 2HE TYR 117 -0.186 -10.603 0.560 905 HE2 TYR 117 1HE TYR 117 0.468 -10.846 -3.714 906 HH TYR 117 HH TYR 117 -1.516 -10.241 -2.761 907 H GLN 118 H GLN 118 3.553 -14.613 -2.300 908 HA GLN 118 HA GLN 118 0.783 -15.041 -1.736 909 HB2 GLN 118 1HB GLN 118 1.253 -15.132 -3.973 910 HB3 GLN 118 2HB GLN 118 2.818 -15.886 -3.780 911 HG2 GLN 118 1HG GLN 118 1.961 -17.999 -3.476 912 HG3 GLN 118 2HG GLN 118 0.362 -17.440 -3.063 913 HE21 GLN 118 1HE2 GLN 118 2.465 -18.351 -5.692 914 HE22 GLN 118 2HE2 GLN 118 1.269 -18.112 -6.984 915 H GLU 119 H GLU 119 3.551 -17.286 -1.580 916 HA GLU 119 HA GLU 119 2.579 -19.428 -0.162 917 HB2 GLU 119 1HB GLU 119 5.147 -18.104 -0.400 918 HB3 GLU 119 2HB GLU 119 4.995 -18.733 1.210 919 HG2 GLU 119 1HG GLU 119 4.419 -20.470 -1.231 920 HG3 GLU 119 2HG GLU 119 6.073 -20.126 -0.707 921 H PHE 120 H PHE 120 3.493 -16.323 1.369 922 HA PHE 120 HA PHE 120 2.995 -16.829 4.046 923 HB2 PHE 120 1HB PHE 120 3.795 -14.721 2.690 924 HB3 PHE 120 2HB PHE 120 2.115 -14.273 2.746 925 HD1 PHE 120 2HD PHE 120 4.708 -15.473 5.222 926 HD2 PHE 120 1HD PHE 120 1.425 -12.839 4.344 927 HE1 PHE 120 2HE PHE 120 4.784 -14.571 7.526 928 HE2 PHE 120 1HE PHE 120 1.552 -11.897 6.609 929 HZ PHE 120 HZ PHE 120 3.160 -12.842 8.245 930 H CYS 121 H CYS 121 0.667 -16.096 1.537 931 HA CYS 121 HA CYS 121 -1.609 -15.768 3.307 932 HB2 CYS 121 1HB CYS 121 -2.676 -14.984 1.512 933 HB3 CYS 121 2HB CYS 121 -1.058 -14.906 0.816 934 HG CYS 121 HG CYS 121 -2.728 -15.608 -1.013 935 H ALA 122 H ALA 122 -0.192 -18.492 1.859 936 HA ALA 122 HA ALA 122 -2.501 -20.329 2.350 937 HB1 ALA 122 1HB ALA 122 0.386 -20.909 1.545 938 HB2 ALA 122 2HB ALA 122 -0.866 -22.130 1.801 939 HB3 ALA 122 3HB ALA 122 -1.049 -20.962 0.491 940 H GLN 123 H GLN 123 0.689 -19.483 3.567 941 HA GLN 123 HA GLN 123 0.635 -21.057 5.981 942 HB2 GLN 123 1HB GLN 123 2.333 -18.687 5.102 943 HB3 GLN 123 2HB GLN 123 2.743 -19.756 6.426 944 HG2 GLN 123 1HG GLN 123 2.361 -21.091 3.744 945 HG3 GLN 123 2HG GLN 123 3.685 -19.957 3.870 946 HE21 GLN 123 1HE2 GLN 123 4.979 -21.916 3.373 947 HE22 GLN 123 2HE2 GLN 123 5.455 -22.953 4.703 948 H GLU 124 H GLU 124 -1.751 -19.258 5.659 949 HA GLU 124 HA GLU 124 -1.469 -17.415 7.981 950 HB2 GLU 124 1HB GLU 124 -1.718 -16.064 5.934 951 HB3 GLU 124 2HB GLU 124 -3.095 -17.037 5.420 952 HG2 GLU 124 1HG GLU 124 -4.500 -16.181 7.132 953 HG3 GLU 124 2HG GLU 124 -3.128 -15.643 8.097 Start of MODEL 16 1 H1 MET 1 H MET 1 18.712 -1.035 -8.340 2 HA MET 1 HA MET 1 17.167 0.414 -9.703 3 HB2 MET 1 1HB MET 1 19.159 -1.108 -10.498 4 HB3 MET 1 2HB MET 1 17.913 -2.143 -11.153 5 HG2 MET 1 1HG MET 1 18.660 0.676 -11.912 6 HG3 MET 1 2HG MET 1 18.625 -0.771 -12.905 7 HE1 MET 1 3HE MET 1 16.150 1.224 -14.934 8 HE2 MET 1 1HE MET 1 17.716 1.706 -14.243 9 HE3 MET 1 2HE MET 1 17.519 0.084 -14.928 10 H LYS 2 H LYS 2 14.922 0.578 -9.551 11 HA LYS 2 HA LYS 2 12.727 0.118 -9.617 12 HB2 LYS 2 1HB LYS 2 13.681 0.712 -11.774 13 HB3 LYS 2 2HB LYS 2 13.764 -0.976 -12.249 14 HG2 LYS 2 1HG LYS 2 11.471 -1.160 -12.548 15 HG3 LYS 2 2HG LYS 2 11.076 0.144 -11.415 16 HD2 LYS 2 1HD LYS 2 12.598 0.690 -13.999 17 HD3 LYS 2 2HD LYS 2 10.829 0.650 -13.967 18 HE2 LYS 2 1HE LYS 2 10.623 2.529 -12.653 19 HE3 LYS 2 2HE LYS 2 12.175 2.268 -11.835 20 HZ1 LYS 2 3HZ LYS 2 11.920 3.311 -14.579 21 HZ2 LYS 2 1HZ LYS 2 12.272 4.190 -13.229 22 HZ3 LYS 2 2HZ LYS 2 13.325 3.077 -13.722 23 H MET 3 H MET 3 11.655 -1.257 -8.247 24 HA MET 3 HA MET 3 11.509 -4.150 -8.794 25 HB2 MET 3 1HB MET 3 12.417 -4.629 -6.543 26 HB3 MET 3 2HB MET 3 13.604 -3.793 -7.561 27 HG2 MET 3 1HG MET 3 12.561 -1.663 -6.335 28 HG3 MET 3 2HG MET 3 12.090 -2.880 -5.134 29 HE1 MET 3 3HE MET 3 16.197 -1.200 -6.120 30 HE2 MET 3 1HE MET 3 15.047 -1.726 -7.380 31 HE3 MET 3 2HE MET 3 14.622 -0.381 -6.280 32 H LYS 4 H LYS 4 10.045 -5.249 -7.101 33 HA LYS 4 HA LYS 4 8.192 -3.422 -5.739 34 HB2 LYS 4 1HB LYS 4 7.063 -3.708 -7.786 35 HB3 LYS 4 2HB LYS 4 7.425 -5.436 -7.865 36 HG2 LYS 4 1HG LYS 4 5.727 -6.036 -6.440 37 HG3 LYS 4 2HG LYS 4 5.850 -4.601 -5.466 38 HD2 LYS 4 1HD LYS 4 3.789 -4.379 -6.413 39 HD3 LYS 4 2HD LYS 4 4.776 -3.302 -7.405 40 HE2 LYS 4 1HE LYS 4 4.857 -4.940 -9.209 41 HE3 LYS 4 2HE LYS 4 4.252 -6.206 -8.129 42 HZ1 LYS 4 3HZ LYS 4 2.643 -3.905 -9.069 43 HZ2 LYS 4 1HZ LYS 4 2.503 -5.478 -9.536 44 HZ3 LYS 4 2HZ LYS 4 2.164 -5.056 -7.986 45 H LYS 5 H LYS 5 8.181 -4.029 -3.646 46 HA LYS 5 HA LYS 5 8.032 -6.949 -3.049 47 HB2 LYS 5 1HB LYS 5 9.553 -4.759 -1.666 48 HB3 LYS 5 2HB LYS 5 8.971 -6.127 -0.720 49 HG2 LYS 5 1HG LYS 5 10.439 -7.583 -1.556 50 HG3 LYS 5 2HG LYS 5 10.222 -7.049 -3.225 51 HD2 LYS 5 1HD LYS 5 11.814 -5.299 -3.028 52 HD3 LYS 5 2HD LYS 5 11.778 -5.400 -1.272 53 HE2 LYS 5 1HE LYS 5 13.628 -6.644 -1.437 54 HE3 LYS 5 2HE LYS 5 12.535 -7.966 -1.847 55 HZ1 LYS 5 3HZ LYS 5 14.386 -7.697 -3.394 56 HZ2 LYS 5 1HZ LYS 5 12.946 -7.413 -4.208 57 HZ3 LYS 5 2HZ LYS 5 13.948 -6.183 -3.714 58 H TYR 6 H TYR 6 7.141 -7.235 -0.656 59 HA TYR 6 HA TYR 6 4.460 -5.947 -0.556 60 HB2 TYR 6 1HB TYR 6 5.222 -8.886 -0.587 61 HB3 TYR 6 2HB TYR 6 3.601 -8.292 -0.223 62 HD1 TYR 6 1HD TYR 6 6.231 -8.503 -2.877 63 HD2 TYR 6 2HD TYR 6 2.063 -7.886 -1.982 64 HE1 TYR 6 1HE TYR 6 5.767 -8.237 -5.285 65 HE2 TYR 6 2HE TYR 6 1.549 -7.829 -4.409 66 HH TYR 6 HH TYR 6 3.146 -8.633 -6.810 67 H THR 7 H THR 7 3.302 -6.432 1.635 68 HA THR 7 HA THR 7 5.236 -7.051 3.767 69 HB THR 7 HB THR 7 4.247 -5.339 5.123 70 HG1 THR 7 1HG THR 7 2.737 -3.880 4.133 71 HG21 THR 7 3HG2 THR 7 6.094 -4.773 3.413 72 HG22 THR 7 1HG2 THR 7 4.820 -3.946 2.487 73 HG23 THR 7 2HG2 THR 7 5.199 -3.457 4.153 74 H LYS 8 H LYS 8 3.876 -7.271 5.800 75 HA LYS 8 HA LYS 8 2.344 -9.750 5.318 76 HB2 LYS 8 1HB LYS 8 3.336 -8.689 7.979 77 HB3 LYS 8 2HB LYS 8 2.859 -10.311 7.612 78 HG2 LYS 8 1HG LYS 8 5.166 -9.303 5.977 79 HG3 LYS 8 2HG LYS 8 5.444 -9.338 7.696 80 HD2 LYS 8 1HD LYS 8 4.543 -11.736 6.043 81 HD3 LYS 8 2HD LYS 8 6.216 -11.350 6.509 82 HE2 LYS 8 1HE LYS 8 5.329 -11.313 8.944 83 HE3 LYS 8 2HE LYS 8 3.886 -12.092 8.278 84 HZ1 LYS 8 3HZ LYS 8 5.428 -13.761 9.048 85 HZ2 LYS 8 1HZ LYS 8 5.447 -13.838 7.391 86 HZ3 LYS 8 2HZ LYS 8 6.650 -13.138 8.215 87 H THR 9 H THR 9 1.219 -6.811 5.199 88 HA THR 9 HA THR 9 -1.296 -7.681 6.423 89 HB THR 9 HB THR 9 -0.333 -6.200 8.120 90 HG1 THR 9 1HG THR 9 -2.494 -6.259 7.912 91 HG21 THR 9 3HG2 THR 9 -0.499 -3.627 6.966 92 HG22 THR 9 1HG2 THR 9 0.967 -4.502 7.501 93 HG23 THR 9 2HG2 THR 9 0.435 -4.563 5.820 94 H HIS 10 H HIS 10 -0.838 -8.260 4.020 95 HA HIS 10 HA HIS 10 -1.406 -8.011 1.813 96 HB2 HIS 10 1HB HIS 10 -3.834 -7.400 1.555 97 HB3 HIS 10 2HB HIS 10 -3.484 -8.660 2.700 98 HD1 HIS 10 1HD HIS 10 -4.164 -4.894 2.742 99 HD2 HIS 10 2HD HIS 10 -4.516 -8.358 5.121 100 HE1 HIS 10 1HE HIS 10 -5.679 -4.282 4.797 101 HE2 HIS 10 2HE HIS 10 -5.841 -6.388 6.222 102 H GLU 11 H GLU 11 0.442 -6.094 2.005 103 HA GLU 11 HA GLU 11 -0.728 -3.922 0.378 104 HB2 GLU 11 1HB GLU 11 0.047 -3.307 2.882 105 HB3 GLU 11 2HB GLU 11 1.649 -3.361 2.114 106 HG2 GLU 11 1HG GLU 11 0.530 -1.801 0.326 107 HG3 GLU 11 2HG GLU 11 -0.629 -1.460 1.614 108 H TRP 12 H TRP 12 0.647 -3.270 -1.297 109 HA TRP 12 HA TRP 12 3.185 -4.771 -1.721 110 HB2 TRP 12 1HB TRP 12 2.766 -4.658 -4.120 111 HB3 TRP 12 2HB TRP 12 1.523 -5.583 -3.282 112 HD1 TRP 12 HD TRP 12 -0.907 -4.893 -3.558 113 HE1 TRP 12 1HE TRP 12 -2.178 -3.051 -4.807 114 HE3 TRP 12 3HE TRP 12 3.026 -1.846 -4.898 115 HZ2 TRP 12 2HZ TRP 12 -1.581 -0.795 -6.408 116 HZ3 TRP 12 3HZ TRP 12 2.566 0.233 -6.148 117 HH2 TRP 12 HH TRP 12 0.312 0.730 -6.996 118 H VAL 13 H VAL 13 4.753 -3.562 -3.005 119 HA VAL 13 HA VAL 13 4.631 -0.629 -2.589 120 HB VAL 13 HB VAL 13 7.101 -2.289 -2.022 121 HG11 VAL 13 1HG1 VAL 13 6.264 -0.027 -0.281 122 HG12 VAL 13 2HG1 VAL 13 7.826 -0.371 -1.040 123 HG13 VAL 13 3HG1 VAL 13 6.508 0.379 -1.960 124 HG21 VAL 13 3HG2 VAL 13 5.468 -3.480 -0.587 125 HG22 VAL 13 1HG2 VAL 13 6.567 -2.503 0.364 126 HG23 VAL 13 2HG2 VAL 13 4.894 -1.939 0.051 127 H SER 14 H SER 14 5.348 0.374 -4.475 128 HA SER 14 HA SER 14 6.678 -1.150 -6.669 129 HB2 SER 14 1HB SER 14 4.557 0.929 -6.401 130 HB3 SER 14 2HB SER 14 5.566 1.046 -7.814 131 HG SER 14 HG SER 14 3.631 -0.188 -8.050 132 H ILE 15 H ILE 15 8.786 -0.661 -5.762 133 HA ILE 15 HA ILE 15 9.686 2.088 -5.407 134 HB ILE 15 HB ILE 15 11.151 -0.577 -5.364 135 HG12 ILE 15 1HG1 ILE 15 11.202 0.352 -2.803 136 HG13 ILE 15 2HG1 ILE 15 9.675 0.968 -3.296 137 HG21 ILE 15 1HG2 ILE 15 13.020 0.655 -4.373 138 HG22 ILE 15 2HG2 ILE 15 12.657 1.343 -5.926 139 HG23 ILE 15 3HG2 ILE 15 12.100 2.189 -4.468 140 HD11 ILE 15 3HD1 ILE 15 9.625 -1.315 -2.202 141 HD12 ILE 15 1HD1 ILE 15 8.772 -1.203 -3.749 142 HD13 ILE 15 2HD1 ILE 15 10.373 -1.965 -3.665 143 H GLU 16 H GLU 16 9.606 3.155 -7.348 144 HA GLU 16 HA GLU 16 10.742 1.746 -9.709 145 HB2 GLU 16 1HB GLU 16 9.961 3.573 -11.078 146 HB3 GLU 16 2HB GLU 16 8.710 2.687 -10.217 147 HG2 GLU 16 1HG GLU 16 8.639 4.585 -8.547 148 HG3 GLU 16 2HG GLU 16 9.705 5.493 -9.631 149 H ASP 17 H ASP 17 11.349 4.879 -8.011 150 HA ASP 17 HA ASP 17 14.102 4.788 -9.149 151 HB2 ASP 17 1HB ASP 17 11.950 6.429 -10.059 152 HB3 ASP 17 2HB ASP 17 13.061 7.483 -9.192 153 H LYS 18 H LYS 18 12.360 7.221 -7.169 154 HA LYS 18 HA LYS 18 13.934 6.354 -4.778 155 HB2 LYS 18 1HB LYS 18 13.288 9.272 -5.371 156 HB3 LYS 18 2HB LYS 18 14.007 8.628 -3.910 157 HG2 LYS 18 1HG LYS 18 15.915 7.768 -5.411 158 HG3 LYS 18 2HG LYS 18 15.320 8.939 -6.601 159 HD2 LYS 18 1HD LYS 18 16.286 9.454 -3.754 160 HD3 LYS 18 2HD LYS 18 17.137 9.890 -5.230 161 HE2 LYS 18 1HE LYS 18 15.506 11.611 -5.747 162 HE3 LYS 18 2HE LYS 18 14.393 11.022 -4.508 163 HZ1 LYS 18 3HZ LYS 18 15.536 12.974 -3.781 164 HZ2 LYS 18 1HZ LYS 18 15.899 11.718 -2.834 165 HZ3 LYS 18 2HZ LYS 18 17.019 12.266 -3.936 166 H VAL 19 H VAL 19 10.946 6.498 -6.181 167 HA VAL 19 HA VAL 19 9.622 6.898 -3.561 168 HB VAL 19 HB VAL 19 8.592 7.713 -6.299 169 HG11 VAL 19 1HG1 VAL 19 6.762 8.792 -5.047 170 HG12 VAL 19 2HG1 VAL 19 6.801 7.052 -4.722 171 HG13 VAL 19 3HG1 VAL 19 7.431 8.198 -3.517 172 HG21 VAL 19 3HG2 VAL 19 9.599 9.411 -3.972 173 HG22 VAL 19 1HG2 VAL 19 10.324 9.294 -5.595 174 HG23 VAL 19 2HG2 VAL 19 8.744 10.046 -5.403 175 H ALA 20 H ALA 20 8.077 5.475 -3.044 176 HA ALA 20 HA ALA 20 7.721 3.070 -4.749 177 HB1 ALA 20 1HB ALA 20 7.710 1.799 -2.766 178 HB2 ALA 20 2HB ALA 20 9.083 2.903 -2.593 179 HB3 ALA 20 3HB ALA 20 7.587 3.234 -1.716 180 H THR 21 H THR 21 5.774 3.165 -5.686 181 HA THR 21 HA THR 21 3.493 4.482 -4.398 182 HB THR 21 HB THR 21 3.550 2.571 -6.776 183 HG1 THR 21 1HG THR 21 4.175 4.158 -7.898 184 HG21 THR 21 3HG2 THR 21 1.313 2.747 -5.893 185 HG22 THR 21 1HG2 THR 21 1.416 4.518 -5.821 186 HG23 THR 21 2HG2 THR 21 1.414 3.662 -7.389 187 H VAL 22 H VAL 22 1.946 3.484 -3.103 188 HA VAL 22 HA VAL 22 2.225 0.632 -2.454 189 HB VAL 22 HB VAL 22 2.382 1.394 -0.528 190 HG11 VAL 22 1HG1 VAL 22 3.175 3.601 -1.228 191 HG12 VAL 22 2HG1 VAL 22 1.560 4.158 -0.671 192 HG13 VAL 22 3HG1 VAL 22 2.688 3.341 0.420 193 HG21 VAL 22 3HG2 VAL 22 -0.341 2.426 -0.423 194 HG22 VAL 22 1HG2 VAL 22 0.187 0.765 -0.052 195 HG23 VAL 22 2HG2 VAL 22 0.699 2.074 0.990 196 H GLY 23 H GLY 23 0.352 -0.718 -2.187 197 HA2 GLY 23 1HA GLY 23 -2.230 0.535 -2.192 198 HA3 GLY 23 2HA GLY 23 -2.004 -0.440 -3.632 199 H ILE 24 H ILE 24 -3.936 -1.196 -1.671 200 HA ILE 24 HA ILE 24 -2.693 -3.379 -0.142 201 HB ILE 24 HB ILE 24 -5.100 -4.126 0.204 202 HG12 ILE 24 1HG1 ILE 24 -5.790 -1.233 -0.423 203 HG13 ILE 24 2HG1 ILE 24 -6.033 -2.532 -1.592 204 HG21 ILE 24 1HG2 ILE 24 -3.545 -2.983 1.882 205 HG22 ILE 24 2HG2 ILE 24 -4.357 -1.474 1.482 206 HG23 ILE 24 3HG2 ILE 24 -5.279 -2.792 2.192 207 HD11 ILE 24 3HD1 ILE 24 -7.244 -2.795 1.184 208 HD12 ILE 24 1HD1 ILE 24 -8.018 -1.802 -0.046 209 HD13 ILE 24 2HD1 ILE 24 -7.755 -3.521 -0.355 210 H THR 25 H THR 25 -2.904 -5.608 -0.680 211 HA THR 25 HA THR 25 -2.981 -6.173 -3.526 212 HB THR 25 HB THR 25 -2.657 -8.556 -2.595 213 HG1 THR 25 1HG THR 25 -2.332 -8.793 -0.523 214 HG21 THR 25 3HG2 THR 25 -0.755 -7.186 -3.349 215 HG22 THR 25 1HG2 THR 25 -0.659 -6.400 -1.749 216 HG23 THR 25 2HG2 THR 25 -0.324 -8.133 -1.927 217 H ASN 26 H ASN 26 -4.245 -8.204 -4.260 218 HA ASN 26 HA ASN 26 -6.977 -7.428 -4.384 219 HB2 ASN 26 1HB ASN 26 -5.473 -8.808 -6.011 220 HB3 ASN 26 2HB ASN 26 -5.856 -10.195 -5.000 221 HD21 ASN 26 1HD2 ASN 26 -6.897 -8.130 -7.499 222 HD22 ASN 26 2HD2 ASN 26 -8.522 -8.679 -7.745 223 H HIS 27 H HIS 27 -5.421 -9.925 -2.358 224 HA HIS 27 HA HIS 27 -7.754 -11.179 -1.429 225 HB2 HIS 27 1HB HIS 27 -5.435 -11.947 -1.042 226 HB3 HIS 27 2HB HIS 27 -5.183 -10.637 0.113 227 HD1 HIS 27 1HD HIS 27 -6.777 -14.080 -0.178 228 HD2 HIS 27 2HD HIS 27 -6.535 -10.812 2.506 229 HE1 HIS 27 1HE HIS 27 -7.504 -14.948 2.152 230 HE2 HIS 27 2HE HIS 27 -7.352 -12.935 3.770 231 H ALA 28 H ALA 28 -6.601 -7.935 -0.643 232 HA ALA 28 HA ALA 28 -8.155 -7.655 1.805 233 HB1 ALA 28 1HB ALA 28 -6.972 -5.615 -0.101 234 HB2 ALA 28 2HB ALA 28 -7.518 -5.308 1.569 235 HB3 ALA 28 3HB ALA 28 -6.097 -6.343 1.268 236 H GLN 29 H GLN 29 -8.540 -6.621 -1.676 237 HA GLN 29 HA GLN 29 -11.054 -5.356 -1.139 238 HB2 GLN 29 1HB GLN 29 -11.275 -5.066 -3.508 239 HB3 GLN 29 2HB GLN 29 -9.664 -4.722 -2.976 240 HG2 GLN 29 1HG GLN 29 -9.539 -5.709 -5.084 241 HG3 GLN 29 2HG GLN 29 -8.908 -6.836 -3.932 242 HE21 GLN 29 1HE2 GLN 29 -9.689 -8.861 -4.104 243 HE22 GLN 29 2HE2 GLN 29 -11.105 -9.270 -5.099 244 H GLU 30 H GLU 30 -10.221 -8.803 -1.802 245 HA GLU 30 HA GLU 30 -12.721 -9.720 -2.508 246 HB2 GLU 30 1HB GLU 30 -10.134 -10.753 -1.299 247 HB3 GLU 30 2HB GLU 30 -11.541 -11.750 -1.158 248 HG2 GLU 30 1HG GLU 30 -11.809 -11.346 -3.756 249 HG3 GLU 30 2HG GLU 30 -10.111 -10.883 -3.644 250 H GLN 31 H GLN 31 -11.494 -8.807 0.735 251 HA GLN 31 HA GLN 31 -13.733 -10.049 2.001 252 HB2 GLN 31 1HB GLN 31 -12.787 -9.043 4.127 253 HB3 GLN 31 2HB GLN 31 -12.100 -10.447 3.286 254 HG2 GLN 31 1HG GLN 31 -10.528 -9.084 2.194 255 HG3 GLN 31 2HG GLN 31 -11.030 -7.631 3.119 256 HE21 GLN 31 1HE2 GLN 31 -10.353 -11.088 4.134 257 HE22 GLN 31 2HE2 GLN 31 -9.255 -10.583 5.408 258 H LEU 32 H LEU 32 -12.508 -6.691 1.634 259 HA LEU 32 HA LEU 32 -14.728 -5.421 3.000 260 HB2 LEU 32 1HB LEU 32 -12.800 -4.309 0.926 261 HB3 LEU 32 2HB LEU 32 -13.947 -3.369 1.871 262 HG LEU 32 HG LEU 32 -11.566 -4.924 2.986 263 HD11 LEU 32 1HD1 LEU 32 -12.215 -1.957 2.972 264 HD12 LEU 32 2HD1 LEU 32 -10.740 -2.707 3.594 265 HD13 LEU 32 3HD1 LEU 32 -11.060 -2.737 1.841 266 HD21 LEU 32 3HD2 LEU 32 -13.401 -4.856 4.693 267 HD22 LEU 32 1HD2 LEU 32 -12.056 -3.787 5.142 268 HD23 LEU 32 2HD2 LEU 32 -13.512 -3.087 4.436 269 H GLY 33 H GLY 33 -14.106 -6.138 -0.518 270 HA2 GLY 33 1HA GLY 33 -15.585 -6.323 -2.236 271 HA3 GLY 33 2HA GLY 33 -16.927 -6.138 -1.108 272 H ASP 34 H ASP 34 -17.996 -4.385 -1.191 273 HA ASP 34 HA ASP 34 -17.406 -2.117 -2.906 274 HB2 ASP 34 1HB ASP 34 -19.571 -2.709 -0.842 275 HB3 ASP 34 2HB ASP 34 -19.419 -1.145 -1.645 276 H VAL 35 H VAL 35 -15.520 -1.152 -2.295 277 HA VAL 35 HA VAL 35 -15.423 0.077 0.384 278 HB VAL 35 HB VAL 35 -13.502 0.624 -1.880 279 HG11 VAL 35 1HG1 VAL 35 -12.447 0.650 0.869 280 HG12 VAL 35 2HG1 VAL 35 -12.388 1.921 -0.358 281 HG13 VAL 35 3HG1 VAL 35 -13.768 1.742 0.780 282 HG21 VAL 35 3HG2 VAL 35 -13.379 -1.786 -1.447 283 HG22 VAL 35 1HG2 VAL 35 -12.003 -1.003 -0.666 284 HG23 VAL 35 2HG2 VAL 35 -13.410 -1.476 0.311 285 H VAL 36 H VAL 36 -14.701 2.622 -0.207 286 HA VAL 36 HA VAL 36 -17.103 3.976 -1.060 287 HB VAL 36 HB VAL 36 -17.467 2.286 0.916 288 HG11 VAL 36 1HG1 VAL 36 -17.197 2.965 3.104 289 HG12 VAL 36 2HG1 VAL 36 -15.610 2.907 2.269 290 HG13 VAL 36 3HG1 VAL 36 -16.386 4.469 2.642 291 HG21 VAL 36 3HG2 VAL 36 -19.170 3.766 1.959 292 HG22 VAL 36 1HG2 VAL 36 -18.455 5.159 1.101 293 HG23 VAL 36 2HG2 VAL 36 -19.219 3.820 0.205 294 H TYR 37 H TYR 37 -14.204 3.642 0.923 295 HA TYR 37 HA TYR 37 -13.302 6.379 0.268 296 HB2 TYR 37 1HB TYR 37 -14.958 6.586 2.174 297 HB3 TYR 37 2HB TYR 37 -13.982 5.474 3.100 298 HD1 TYR 37 2HD TYR 37 -13.290 8.600 1.061 299 HD2 TYR 37 1HD TYR 37 -12.681 6.440 4.764 300 HE1 TYR 37 2HE TYR 37 -11.773 10.371 1.850 301 HE2 TYR 37 1HE TYR 37 -11.212 8.214 5.573 302 HH TYR 37 HH TYR 37 -10.150 10.201 5.052 303 H VAL 38 H VAL 38 -11.064 6.757 1.069 304 HA VAL 38 HA VAL 38 -9.886 4.830 2.793 305 HB VAL 38 HB VAL 38 -8.007 4.167 1.635 306 HG11 VAL 38 1HG1 VAL 38 -9.960 4.327 -0.698 307 HG12 VAL 38 2HG1 VAL 38 -8.529 3.279 -0.560 308 HG13 VAL 38 3HG1 VAL 38 -9.898 3.048 0.530 309 HG21 VAL 38 3HG2 VAL 38 -8.334 6.504 -0.266 310 HG22 VAL 38 1HG2 VAL 38 -7.009 6.167 0.865 311 HG23 VAL 38 2HG2 VAL 38 -7.192 5.163 -0.558 312 H ASP 39 H ASP 39 -8.258 5.639 4.004 313 HA ASP 39 HA ASP 39 -8.307 8.548 4.096 314 HB2 ASP 39 1HB ASP 39 -8.820 7.392 6.292 315 HB3 ASP 39 2HB ASP 39 -7.467 6.323 6.021 316 H LEU 40 H LEU 40 -6.283 9.694 4.281 317 HA LEU 40 HA LEU 40 -3.964 8.253 3.171 318 HB2 LEU 40 1HB LEU 40 -5.343 10.688 1.967 319 HB3 LEU 40 2HB LEU 40 -3.679 10.286 1.612 320 HG LEU 40 HG LEU 40 -4.836 9.456 -0.190 321 HD11 LEU 40 1HD1 LEU 40 -4.653 6.899 1.331 322 HD12 LEU 40 2HD1 LEU 40 -4.186 7.260 -0.330 323 HD13 LEU 40 3HD1 LEU 40 -3.206 7.863 0.985 324 HD21 LEU 40 3HD2 LEU 40 -7.032 9.781 0.572 325 HD22 LEU 40 1HD2 LEU 40 -6.802 8.330 -0.386 326 HD23 LEU 40 2HD2 LEU 40 -6.976 8.234 1.395 327 HA PRO 41 HA PRO 41 -1.890 11.075 5.906 328 HB2 PRO 41 1HB PRO 41 0.693 10.516 5.280 329 HB3 PRO 41 2HB PRO 41 -0.385 9.387 6.128 330 HG2 PRO 41 1HG PRO 41 0.438 9.329 3.214 331 HG3 PRO 41 2HG PRO 41 0.139 7.962 4.332 332 HD2 PRO 41 1HD PRO 41 -1.648 9.072 2.445 333 HD3 PRO 41 2HD PRO 41 -2.021 7.888 3.723 334 H GLU 42 H GLU 42 -0.008 12.757 5.650 335 HA GLU 42 HA GLU 42 -0.831 14.552 3.474 336 HB2 GLU 42 1HB GLU 42 -0.564 15.133 5.967 337 HB3 GLU 42 2HB GLU 42 1.185 15.027 5.704 338 HG2 GLU 42 1HG GLU 42 0.804 16.728 3.780 339 HG3 GLU 42 2HG GLU 42 -0.812 16.933 4.431 340 H VAL 43 H VAL 43 0.614 15.428 1.976 341 HA VAL 43 HA VAL 43 2.460 13.730 0.817 342 HB VAL 43 HB VAL 43 0.729 15.687 0.091 343 HG11 VAL 43 1HG1 VAL 43 1.712 17.664 -0.735 344 HG12 VAL 43 2HG1 VAL 43 2.353 17.477 0.919 345 HG13 VAL 43 3HG1 VAL 43 3.360 17.041 -0.497 346 HG21 VAL 43 3HG2 VAL 43 1.650 13.957 -1.387 347 HG22 VAL 43 1HG2 VAL 43 1.480 15.542 -2.165 348 HG23 VAL 43 2HG2 VAL 43 3.084 15.000 -1.634 349 H GLY 44 H GLY 44 3.397 14.818 3.406 350 HA2 GLY 44 1HA GLY 44 6.231 15.058 2.689 351 HA3 GLY 44 2HA GLY 44 5.582 16.436 3.594 352 H ARG 45 H ARG 45 3.972 13.543 4.501 353 HA ARG 45 HA ARG 45 5.081 13.894 7.166 354 HB2 ARG 45 1HB ARG 45 2.685 13.441 6.570 355 HB3 ARG 45 2HB ARG 45 3.129 11.787 6.122 356 HG2 ARG 45 1HG ARG 45 3.764 11.278 8.411 357 HG3 ARG 45 2HG ARG 45 3.627 12.992 8.882 358 HD2 ARG 45 1HD ARG 45 1.216 12.934 8.324 359 HD3 ARG 45 2HD ARG 45 1.344 11.218 7.917 360 HE ARG 45 HE ARG 45 1.922 10.722 10.203 361 HH11 ARG 45 2HH2 ARG 45 0.431 14.005 9.808 362 HH12 ARG 45 1HH2 ARG 45 -0.149 14.000 11.429 363 HH21 ARG 45 2HH1 ARG 45 1.335 10.896 12.272 364 HH22 ARG 45 1HH1 ARG 45 0.552 12.291 12.939 365 H GLU 46 H GLU 46 6.640 12.519 8.287 366 HA GLU 46 HA GLU 46 7.874 10.338 6.731 367 HB2 GLU 46 1HB GLU 46 8.355 11.607 9.445 368 HB3 GLU 46 2HB GLU 46 8.974 10.007 9.068 369 HG2 GLU 46 1HG GLU 46 10.185 10.874 7.108 370 HG3 GLU 46 2HG GLU 46 9.507 12.486 7.410 371 H VAL 47 H VAL 47 7.560 8.143 7.159 372 HA VAL 47 HA VAL 47 5.578 7.403 9.223 373 HB VAL 47 HB VAL 47 4.369 6.021 7.691 374 HG11 VAL 47 1HG1 VAL 47 3.240 7.722 6.372 375 HG12 VAL 47 2HG1 VAL 47 3.766 8.466 7.893 376 HG13 VAL 47 3HG1 VAL 47 4.666 8.766 6.406 377 HG21 VAL 47 3HG2 VAL 47 6.164 7.012 5.432 378 HG22 VAL 47 1HG2 VAL 47 6.162 5.365 6.104 379 HG23 VAL 47 2HG2 VAL 47 4.731 5.976 5.270 380 H LYS 48 H LYS 48 5.590 4.690 8.978 381 HA LYS 48 HA LYS 48 8.432 3.891 9.246 382 HB2 LYS 48 1HB LYS 48 6.103 3.574 11.184 383 HB3 LYS 48 2HB LYS 48 7.574 2.639 11.263 384 HG2 LYS 48 1HG LYS 48 8.921 4.765 11.289 385 HG3 LYS 48 2HG LYS 48 7.436 5.686 11.365 386 HD2 LYS 48 1HD LYS 48 7.472 5.586 13.560 387 HD3 LYS 48 2HD LYS 48 7.240 3.841 13.520 388 HE2 LYS 48 1HE LYS 48 9.970 5.181 13.166 389 HE3 LYS 48 2HE LYS 48 9.343 4.753 14.760 390 HZ1 LYS 48 3HZ LYS 48 9.306 2.487 14.153 391 HZ2 LYS 48 1HZ LYS 48 9.721 2.802 12.576 392 HZ3 LYS 48 2HZ LYS 48 10.799 3.053 13.750 393 H LYS 49 H LYS 49 8.682 1.580 9.026 394 HA LYS 49 HA LYS 49 7.078 0.506 6.958 395 HB2 LYS 49 1HB LYS 49 8.607 -1.377 7.005 396 HB3 LYS 49 2HB LYS 49 9.494 0.092 7.358 397 HG2 LYS 49 1HG LYS 49 10.455 -1.386 8.778 398 HG3 LYS 49 2HG LYS 49 9.306 -0.598 9.852 399 HD2 LYS 49 1HD LYS 49 7.819 -2.495 9.804 400 HD3 LYS 49 2HD LYS 49 8.692 -3.236 8.454 401 HE2 LYS 49 1HE LYS 49 9.783 -2.794 11.266 402 HE3 LYS 49 2HE LYS 49 9.101 -4.305 10.650 403 HZ1 LYS 49 3HZ LYS 49 11.565 -2.971 9.752 404 HZ2 LYS 49 1HZ LYS 49 11.415 -4.465 10.420 405 HZ3 LYS 49 2HZ LYS 49 10.873 -4.197 8.899 406 H GLY 50 H GLY 50 5.814 0.905 9.653 407 HA2 GLY 50 1HA GLY 50 3.656 -0.671 9.011 408 HA3 GLY 50 2HA GLY 50 4.310 -1.324 10.530 409 H GLU 51 H GLU 51 2.564 1.312 9.050 410 HA GLU 51 HA GLU 51 2.154 2.699 11.610 411 HB2 GLU 51 1HB GLU 51 4.174 3.596 10.079 412 HB3 GLU 51 2HB GLU 51 2.889 4.213 9.070 413 HG2 GLU 51 1HG GLU 51 3.314 6.019 10.422 414 HG3 GLU 51 2HG GLU 51 1.992 5.273 11.330 415 H VAL 52 H VAL 52 -0.106 3.339 11.615 416 HA VAL 52 HA VAL 52 -1.806 2.156 9.683 417 HB VAL 52 HB VAL 52 -2.260 3.851 12.129 418 HG11 VAL 52 1HG1 VAL 52 -4.619 2.803 12.080 419 HG12 VAL 52 2HG1 VAL 52 -4.259 4.291 11.205 420 HG13 VAL 52 3HG1 VAL 52 -4.336 2.781 10.307 421 HG21 VAL 52 3HG2 VAL 52 -1.194 1.715 12.565 422 HG22 VAL 52 1HG2 VAL 52 -2.828 1.776 13.202 423 HG23 VAL 52 2HG2 VAL 52 -2.489 0.881 11.697 424 H VAL 53 H VAL 53 -0.188 4.466 8.631 425 HA VAL 53 HA VAL 53 -1.658 6.847 8.572 426 HB VAL 53 HB VAL 53 0.100 7.556 6.957 427 HG11 VAL 53 1HG1 VAL 53 1.156 5.849 9.213 428 HG12 VAL 53 2HG1 VAL 53 2.024 7.143 8.390 429 HG13 VAL 53 3HG1 VAL 53 0.588 7.524 9.352 430 HG21 VAL 53 3HG2 VAL 53 1.846 5.940 6.249 431 HG22 VAL 53 1HG2 VAL 53 0.873 4.624 6.937 432 HG23 VAL 53 2HG2 VAL 53 0.265 5.553 5.561 433 H ALA 54 H ALA 54 -2.876 4.271 7.048 434 HA ALA 54 HA ALA 54 -4.130 5.835 4.947 435 HB1 ALA 54 1HB ALA 54 -2.450 3.408 4.193 436 HB2 ALA 54 2HB ALA 54 -3.613 4.236 3.119 437 HB3 ALA 54 3HB ALA 54 -2.179 5.098 3.709 438 H SER 55 H SER 55 -5.451 5.281 6.957 439 HA SER 55 HA SER 55 -6.487 2.637 7.359 440 HB2 SER 55 1HB SER 55 -7.462 5.439 8.013 441 HB3 SER 55 2HB SER 55 -8.326 4.012 8.521 442 HG SER 55 HG SER 55 -5.577 4.587 9.063 443 H ILE 56 H ILE 56 -8.740 1.984 6.925 444 HA ILE 56 HA ILE 56 -9.783 2.939 4.301 445 HB ILE 56 HB ILE 56 -9.463 0.057 5.234 446 HG12 ILE 56 1HG1 ILE 56 -7.926 1.492 3.116 447 HG13 ILE 56 2HG1 ILE 56 -7.262 0.986 4.660 448 HG21 ILE 56 1HG2 ILE 56 -10.229 -0.422 2.821 449 HG22 ILE 56 2HG2 ILE 56 -11.429 0.172 3.920 450 HG23 ILE 56 3HG2 ILE 56 -10.678 1.283 2.747 451 HD11 ILE 56 3HD1 ILE 56 -7.403 -1.339 4.138 452 HD12 ILE 56 1HD1 ILE 56 -8.257 -1.050 2.620 453 HD13 ILE 56 2HD1 ILE 56 -6.602 -0.504 2.795 454 H GLU 57 H GLU 57 -12.064 2.876 4.184 455 HA GLU 57 HA GLU 57 -13.478 1.434 6.234 456 HB2 GLU 57 1HB GLU 57 -13.936 4.334 5.557 457 HB3 GLU 57 2HB GLU 57 -15.372 3.280 5.741 458 HG2 GLU 57 1HG GLU 57 -14.445 2.416 7.875 459 HG3 GLU 57 2HG GLU 57 -13.111 3.544 7.757 460 H SER 58 H SER 58 -15.648 0.869 5.304 461 HA SER 58 HA SER 58 -15.869 0.821 2.408 462 HB2 SER 58 1HB SER 58 -16.380 -1.604 2.371 463 HB3 SER 58 2HB SER 58 -14.686 -1.268 2.767 464 HG SER 58 HG SER 58 -15.161 -1.604 4.907 465 H VAL 59 H VAL 59 -18.217 -0.504 2.253 466 HA VAL 59 HA VAL 59 -20.131 1.310 3.177 467 HB VAL 59 HB VAL 59 -21.703 -0.556 2.456 468 HG11 VAL 59 1HG1 VAL 59 -20.841 1.132 0.845 469 HG12 VAL 59 2HG1 VAL 59 -19.453 0.099 0.488 470 HG13 VAL 59 3HG1 VAL 59 -21.089 -0.443 0.092 471 HG21 VAL 59 3HG2 VAL 59 -20.690 -2.531 1.351 472 HG22 VAL 59 1HG2 VAL 59 -19.079 -2.010 1.851 473 HG23 VAL 59 2HG2 VAL 59 -20.265 -2.491 3.070 474 H LYS 60 H LYS 60 -18.651 -1.404 4.860 475 HA LYS 60 HA LYS 60 -20.068 -0.606 7.216 476 HB2 LYS 60 1HB LYS 60 -21.201 -2.739 7.683 477 HB3 LYS 60 2HB LYS 60 -21.725 -2.096 6.128 478 HG2 LYS 60 1HG LYS 60 -19.696 -3.614 5.229 479 HG3 LYS 60 2HG LYS 60 -20.001 -4.485 6.724 480 HD2 LYS 60 1HD LYS 60 -22.114 -3.881 4.596 481 HD3 LYS 60 2HD LYS 60 -21.108 -5.316 4.605 482 HE2 LYS 60 1HE LYS 60 -23.240 -5.892 5.517 483 HE3 LYS 60 2HE LYS 60 -22.004 -6.029 6.776 484 HZ1 LYS 60 3HZ LYS 60 -23.761 -3.665 6.468 485 HZ2 LYS 60 1HZ LYS 60 -24.110 -4.943 7.456 486 HZ3 LYS 60 2HZ LYS 60 -22.789 -4.018 7.732 487 H ALA 61 H ALA 61 -17.110 -1.200 6.224 488 HA ALA 61 HA ALA 61 -16.273 -2.671 8.644 489 HB1 ALA 61 1HB ALA 61 -14.883 -3.381 6.063 490 HB2 ALA 61 2HB ALA 61 -15.065 -4.316 7.544 491 HB3 ALA 61 3HB ALA 61 -16.430 -4.178 6.426 492 H ALA 62 H ALA 62 -13.826 -2.418 8.912 493 HA ALA 62 HA ALA 62 -12.639 -0.234 7.305 494 HB1 ALA 62 1HB ALA 62 -12.637 -0.348 10.349 495 HB2 ALA 62 2HB ALA 62 -11.700 0.784 9.363 496 HB3 ALA 62 3HB ALA 62 -13.467 0.855 9.343 497 H ALA 63 H ALA 63 -10.243 -0.139 7.580 498 HA ALA 63 HA ALA 63 -8.889 -2.440 8.740 499 HB1 ALA 63 1HB ALA 63 -7.710 -3.070 6.668 500 HB2 ALA 63 2HB ALA 63 -9.446 -3.429 6.608 501 HB3 ALA 63 3HB ALA 63 -8.807 -2.022 5.740 502 H ASP 64 H ASP 64 -7.224 -1.352 9.880 503 HA ASP 64 HA ASP 64 -5.965 1.104 8.978 504 HB2 ASP 64 1HB ASP 64 -4.616 -1.000 10.738 505 HB3 ASP 64 2HB ASP 64 -4.498 0.729 10.830 506 H VAL 65 H VAL 65 -4.618 1.134 7.079 507 HA VAL 65 HA VAL 65 -3.233 -1.357 6.302 508 HB VAL 65 HB VAL 65 -3.125 1.440 5.195 509 HG11 VAL 65 1HG1 VAL 65 -1.834 -1.125 4.130 510 HG12 VAL 65 2HG1 VAL 65 -1.936 0.402 3.236 511 HG13 VAL 65 3HG1 VAL 65 -0.983 0.324 4.704 512 HG21 VAL 65 3HG2 VAL 65 -4.348 -1.090 3.996 513 HG22 VAL 65 1HG2 VAL 65 -5.258 0.197 4.796 514 HG23 VAL 65 2HG2 VAL 65 -4.404 0.561 3.296 515 H TYR 66 H TYR 66 -1.239 -1.813 7.303 516 HA TYR 66 HA TYR 66 0.152 0.399 8.685 517 HB2 TYR 66 1HB TYR 66 1.041 -2.483 8.615 518 HB3 TYR 66 2HB TYR 66 1.612 -1.189 9.627 519 HD1 TYR 66 2HD TYR 66 0.125 -0.315 11.524 520 HD2 TYR 66 1HD TYR 66 -0.909 -3.744 9.129 521 HE1 TYR 66 2HE TYR 66 -1.435 -1.130 13.304 522 HE2 TYR 66 1HE TYR 66 -2.414 -4.545 10.808 523 HH TYR 66 HH TYR 66 -3.599 -3.869 12.848 524 H ALA 67 H ALA 67 1.245 1.585 7.354 525 HA ALA 67 HA ALA 67 2.140 1.404 4.894 526 HB1 ALA 67 1HB ALA 67 4.118 2.948 5.673 527 HB2 ALA 67 2HB ALA 67 2.471 3.449 6.108 528 HB3 ALA 67 3HB ALA 67 3.524 2.650 7.301 529 HA PRO 68 HA PRO 68 5.161 -1.527 4.631 530 HB2 PRO 68 1HB PRO 68 6.120 -1.266 2.137 531 HB3 PRO 68 2HB PRO 68 4.372 -1.392 2.445 532 HG2 PRO 68 1HG PRO 68 5.985 1.174 2.037 533 HG3 PRO 68 2HG PRO 68 4.508 0.655 1.202 534 HD2 PRO 68 1HD PRO 68 4.462 2.292 3.410 535 HD3 PRO 68 2HD PRO 68 3.168 1.132 3.055 536 H LEU 69 H LEU 69 6.837 1.614 4.183 537 HA LEU 69 HA LEU 69 9.346 0.418 5.191 538 HB2 LEU 69 1HB LEU 69 9.121 2.171 2.724 539 HB3 LEU 69 2HB LEU 69 10.591 1.872 3.625 540 HG LEU 69 HG LEU 69 10.677 0.704 1.674 541 HD11 LEU 69 1HD1 LEU 69 11.128 -1.621 2.419 542 HD12 LEU 69 2HD1 LEU 69 11.737 -0.421 3.564 543 HD13 LEU 69 3HD1 LEU 69 10.234 -1.306 3.913 544 HD21 LEU 69 3HD2 LEU 69 8.244 -0.927 2.259 545 HD22 LEU 69 1HD2 LEU 69 8.266 0.494 1.194 546 HD23 LEU 69 2HD2 LEU 69 9.236 -0.947 0.815 547 H SER 70 H SER 70 10.841 2.400 5.804 548 HA SER 70 HA SER 70 9.142 4.203 7.387 549 HB2 SER 70 1HB SER 70 12.035 3.410 7.628 550 HB3 SER 70 2HB SER 70 11.085 4.342 8.803 551 HG SER 70 HG SER 70 11.415 1.782 8.855 552 H GLY 71 H GLY 71 8.868 5.353 5.456 553 HA2 GLY 71 1HA GLY 71 11.124 7.097 4.511 554 HA3 GLY 71 2HA GLY 71 9.949 6.350 3.428 555 H LYS 72 H LYS 72 9.679 8.663 2.701 556 HA LYS 72 HA LYS 72 7.895 10.184 4.558 557 HB2 LYS 72 1HB LYS 72 10.341 11.044 3.754 558 HB3 LYS 72 2HB LYS 72 9.376 11.763 2.480 559 HG2 LYS 72 1HG LYS 72 7.899 12.852 4.072 560 HG3 LYS 72 2HG LYS 72 8.625 11.993 5.413 561 HD2 LYS 72 1HD LYS 72 9.719 14.372 3.952 562 HD3 LYS 72 2HD LYS 72 9.347 14.159 5.649 563 HE2 LYS 72 1HE LYS 72 11.256 12.239 5.436 564 HE3 LYS 72 2HE LYS 72 11.761 13.290 4.101 565 HZ1 LYS 72 3HZ LYS 72 11.724 13.845 6.979 566 HZ2 LYS 72 1HZ LYS 72 12.879 14.211 5.849 567 HZ3 LYS 72 2HZ LYS 72 11.536 15.111 5.925 568 H ILE 73 H ILE 73 5.927 10.623 3.847 569 HA ILE 73 HA ILE 73 4.963 9.596 1.318 570 HB ILE 73 HB ILE 73 3.749 11.667 3.144 571 HG12 ILE 73 1HG1 ILE 73 4.076 9.878 4.609 572 HG13 ILE 73 2HG1 ILE 73 2.420 9.781 4.133 573 HG21 ILE 73 1HG2 ILE 73 2.607 11.509 0.931 574 HG22 ILE 73 2HG2 ILE 73 2.340 9.780 1.188 575 HG23 ILE 73 3HG2 ILE 73 1.571 10.991 2.238 576 HD11 ILE 73 3HD1 ILE 73 3.233 8.057 2.366 577 HD12 ILE 73 1HD1 ILE 73 4.713 7.984 3.341 578 HD13 ILE 73 2HD1 ILE 73 3.153 7.551 4.063 579 H VAL 74 H VAL 74 4.636 10.685 -0.614 580 HA VAL 74 HA VAL 74 5.105 13.594 -0.810 581 HB VAL 74 HB VAL 74 6.638 13.109 -2.826 582 HG11 VAL 74 1HG1 VAL 74 8.670 12.913 -1.589 583 HG12 VAL 74 2HG1 VAL 74 7.502 13.846 -0.632 584 HG13 VAL 74 3HG1 VAL 74 7.849 12.155 -0.211 585 HG21 VAL 74 3HG2 VAL 74 7.814 11.007 -3.017 586 HG22 VAL 74 1HG2 VAL 74 6.916 10.316 -1.658 587 HG23 VAL 74 2HG2 VAL 74 6.076 10.721 -3.178 588 H GLU 75 H GLU 75 3.237 10.799 -1.682 589 HA GLU 75 HA GLU 75 1.618 12.588 -3.227 590 HB2 GLU 75 1HB GLU 75 3.444 11.098 -4.712 591 HB3 GLU 75 2HB GLU 75 2.022 10.064 -4.717 592 HG2 GLU 75 1HG GLU 75 0.684 11.842 -5.692 593 HG3 GLU 75 2HG GLU 75 2.007 13.009 -5.479 594 H VAL 76 H VAL 76 -0.524 11.436 -3.714 595 HA VAL 76 HA VAL 76 -1.263 9.307 -1.833 596 HB VAL 76 HB VAL 76 -2.913 10.812 -0.797 597 HG11 VAL 76 1HG1 VAL 76 -0.150 12.107 -0.535 598 HG12 VAL 76 2HG1 VAL 76 -1.496 12.290 0.559 599 HG13 VAL 76 3HG1 VAL 76 -0.733 10.695 0.382 600 HG21 VAL 76 3HG2 VAL 76 -1.633 13.021 -2.474 601 HG22 VAL 76 1HG2 VAL 76 -3.297 12.411 -2.559 602 HG23 VAL 76 2HG2 VAL 76 -2.775 13.295 -1.139 603 H ASN 77 H ASN 77 -3.325 8.290 -2.688 604 HA ASN 77 HA ASN 77 -3.756 9.169 -5.487 605 HB2 ASN 77 1HB ASN 77 -3.338 6.698 -4.751 606 HB3 ASN 77 2HB ASN 77 -4.989 6.686 -4.330 607 HD21 ASN 77 1HD2 ASN 77 -4.899 5.007 -5.950 608 HD22 ASN 77 2HD2 ASN 77 -5.147 5.302 -7.639 609 H GLU 78 H GLU 78 -4.925 11.173 -4.834 610 HA GLU 78 HA GLU 78 -7.247 11.077 -3.282 611 HB2 GLU 78 1HB GLU 78 -6.468 13.008 -5.507 612 HB3 GLU 78 2HB GLU 78 -7.755 13.243 -4.329 613 HG2 GLU 78 1HG GLU 78 -5.944 12.967 -2.510 614 HG3 GLU 78 2HG GLU 78 -4.796 13.208 -3.845 615 H LYS 79 H LYS 79 -6.818 9.798 -6.317 616 HA LYS 79 HA LYS 79 -9.484 9.977 -7.428 617 HB2 LYS 79 1HB LYS 79 -7.011 8.379 -7.876 618 HB3 LYS 79 2HB LYS 79 -8.441 7.506 -8.301 619 HG2 LYS 79 1HG LYS 79 -7.864 10.346 -9.215 620 HG3 LYS 79 2HG LYS 79 -7.299 8.946 -10.124 621 HD2 LYS 79 1HD LYS 79 -10.224 9.155 -9.407 622 HD3 LYS 79 2HD LYS 79 -9.621 10.144 -10.733 623 HE2 LYS 79 1HE LYS 79 -9.078 7.158 -10.606 624 HE3 LYS 79 2HE LYS 79 -10.596 7.783 -11.257 625 HZ1 LYS 79 3HZ LYS 79 -9.553 8.728 -13.026 626 HZ2 LYS 79 1HZ LYS 79 -8.052 8.786 -12.310 627 HZ3 LYS 79 2HZ LYS 79 -8.659 7.367 -12.841 628 H LEU 80 H LEU 80 -8.153 8.065 -4.752 629 HA LEU 80 HA LEU 80 -10.369 6.163 -4.790 630 HB2 LEU 80 1HB LEU 80 -8.211 6.777 -2.766 631 HB3 LEU 80 2HB LEU 80 -9.425 5.547 -2.522 632 HG LEU 80 HG LEU 80 -6.947 5.000 -3.483 633 HD11 LEU 80 1HD1 LEU 80 -7.770 2.861 -4.190 634 HD12 LEU 80 2HD1 LEU 80 -8.715 3.373 -2.793 635 HD13 LEU 80 3HD1 LEU 80 -9.417 3.489 -4.420 636 HD21 LEU 80 3HD2 LEU 80 -7.227 6.152 -5.627 637 HD22 LEU 80 1HD2 LEU 80 -7.056 4.403 -5.847 638 HD23 LEU 80 2HD2 LEU 80 -8.651 5.155 -6.014 639 H ASP 81 H ASP 81 -10.105 9.452 -3.860 640 HA ASP 81 HA ASP 81 -12.194 9.381 -1.804 641 HB2 ASP 81 1HB ASP 81 -10.287 11.180 -2.208 642 HB3 ASP 81 2HB ASP 81 -11.358 11.802 -3.424 643 H THR 82 H THR 82 -12.168 8.962 -5.170 644 HA THR 82 HA THR 82 -15.008 9.787 -5.393 645 HB THR 82 HB THR 82 -14.489 10.760 -7.627 646 HG1 THR 82 1HG THR 82 -12.498 9.972 -8.157 647 HG21 THR 82 3HG2 THR 82 -14.660 12.090 -5.477 648 HG22 THR 82 1HG2 THR 82 -12.876 12.094 -5.410 649 HG23 THR 82 2HG2 THR 82 -13.755 12.863 -6.768 650 H GLU 83 H GLU 83 -12.478 7.533 -6.392 651 HA GLU 83 HA GLU 83 -14.618 5.606 -7.046 652 HB2 GLU 83 1HB GLU 83 -12.225 6.409 -8.672 653 HB3 GLU 83 2HB GLU 83 -12.813 4.750 -8.814 654 HG2 GLU 83 1HG GLU 83 -14.686 7.083 -9.292 655 HG3 GLU 83 2HG GLU 83 -13.645 6.465 -10.550 656 HA PRO 84 HA PRO 84 -11.452 4.049 -3.982 657 HB2 PRO 84 1HB PRO 84 -13.355 3.298 -2.075 658 HB3 PRO 84 2HB PRO 84 -12.347 4.745 -2.033 659 HG2 PRO 84 1HG PRO 84 -15.223 4.512 -2.782 660 HG3 PRO 84 2HG PRO 84 -14.317 5.946 -2.190 661 HD2 PRO 84 1HD PRO 84 -15.133 5.464 -4.827 662 HD3 PRO 84 2HD PRO 84 -13.911 6.649 -4.351 663 H GLU 85 H GLU 85 -14.444 2.980 -5.512 664 HA GLU 85 HA GLU 85 -14.164 0.179 -5.036 665 HB2 GLU 85 1HB GLU 85 -15.414 1.770 -7.290 666 HB3 GLU 85 2HB GLU 85 -15.495 -0.002 -7.190 667 HG2 GLU 85 1HG GLU 85 -16.679 0.070 -5.100 668 HG3 GLU 85 2HG GLU 85 -16.435 1.803 -4.935 669 H LEU 86 H LEU 86 -12.075 2.295 -6.897 670 HA LEU 86 HA LEU 86 -11.305 0.434 -8.921 671 HB2 LEU 86 1HB LEU 86 -10.078 2.909 -7.676 672 HB3 LEU 86 2HB LEU 86 -8.957 1.791 -8.395 673 HG LEU 86 HG LEU 86 -11.175 3.264 -9.822 674 HD11 LEU 86 1HD1 LEU 86 -8.139 3.068 -10.075 675 HD12 LEU 86 2HD1 LEU 86 -9.168 4.003 -11.177 676 HD13 LEU 86 3HD1 LEU 86 -9.050 4.449 -9.457 677 HD21 LEU 86 3HD2 LEU 86 -9.571 0.842 -10.713 678 HD22 LEU 86 1HD2 LEU 86 -11.328 1.105 -10.786 679 HD23 LEU 86 2HD2 LEU 86 -10.280 2.007 -11.880 680 H ILE 87 H ILE 87 -10.592 0.379 -5.534 681 HA ILE 87 HA ILE 87 -8.188 -1.160 -5.636 682 HB ILE 87 HB ILE 87 -10.442 -1.405 -3.616 683 HG12 ILE 87 1HG1 ILE 87 -8.096 0.502 -3.230 684 HG13 ILE 87 2HG1 ILE 87 -9.550 1.056 -4.031 685 HG21 ILE 87 1HG2 ILE 87 -8.467 -3.052 -3.555 686 HG22 ILE 87 2HG2 ILE 87 -7.427 -1.677 -3.214 687 HG23 ILE 87 3HG2 ILE 87 -8.746 -2.128 -2.093 688 HD11 ILE 87 3HD1 ILE 87 -9.682 1.584 -1.681 689 HD12 ILE 87 1HD1 ILE 87 -10.940 0.436 -2.124 690 HD13 ILE 87 2HD1 ILE 87 -9.515 -0.145 -1.254 691 H ASN 88 H ASN 88 -11.611 -1.964 -6.268 692 HA ASN 88 HA ASN 88 -11.310 -4.864 -6.215 693 HB2 ASN 88 1HB ASN 88 -13.284 -2.987 -7.634 694 HB3 ASN 88 2HB ASN 88 -13.329 -4.750 -7.683 695 HD21 ASN 88 1HD2 ASN 88 -13.291 -2.244 -5.048 696 HD22 ASN 88 2HD2 ASN 88 -14.251 -3.267 -3.968 697 H LYS 89 H LYS 89 -11.225 -2.277 -8.518 698 HA LYS 89 HA LYS 89 -11.298 -3.874 -10.859 699 HB2 LYS 89 1HB LYS 89 -11.401 -1.093 -10.070 700 HB3 LYS 89 2HB LYS 89 -10.285 -1.199 -11.412 701 HG2 LYS 89 1HG LYS 89 -11.998 -2.503 -12.584 702 HG3 LYS 89 2HG LYS 89 -13.150 -2.234 -11.277 703 HD2 LYS 89 1HD LYS 89 -13.100 0.186 -11.785 704 HD3 LYS 89 2HD LYS 89 -11.856 -0.109 -13.041 705 HE2 LYS 89 1HE LYS 89 -13.516 -1.743 -14.089 706 HE3 LYS 89 2HE LYS 89 -14.737 -1.125 -12.957 707 HZ1 LYS 89 3HZ LYS 89 -14.744 -0.022 -15.148 708 HZ2 LYS 89 1HZ LYS 89 -14.523 1.022 -13.930 709 HZ3 LYS 89 2HZ LYS 89 -13.234 0.529 -14.880 710 H ASP 90 H ASP 90 -8.610 -2.116 -9.279 711 HA ASP 90 HA ASP 90 -6.842 -4.144 -10.270 712 HB2 ASP 90 1HB ASP 90 -7.025 -2.130 -12.068 713 HB3 ASP 90 2HB ASP 90 -5.757 -1.470 -11.110 714 HA PRO 91 HA PRO 91 -6.055 -2.242 -6.157 715 HB2 PRO 91 1HB PRO 91 -5.091 -4.654 -5.016 716 HB3 PRO 91 2HB PRO 91 -6.739 -4.012 -4.863 717 HG2 PRO 91 1HG PRO 91 -5.654 -6.177 -6.570 718 HG3 PRO 91 2HG PRO 91 -7.333 -5.958 -6.003 719 HD2 PRO 91 1HD PRO 91 -6.417 -5.452 -8.595 720 HD3 PRO 91 2HD PRO 91 -7.920 -4.788 -7.899 721 H GLU 92 H GLU 92 -4.102 -3.990 -8.455 722 HA GLU 92 HA GLU 92 -1.645 -2.936 -7.201 723 HB2 GLU 92 1HB GLU 92 -1.203 -5.095 -9.086 724 HB3 GLU 92 2HB GLU 92 -0.399 -4.672 -7.594 725 HG2 GLU 92 1HG GLU 92 -2.270 -5.818 -6.337 726 HG3 GLU 92 2HG GLU 92 -2.934 -6.319 -7.906 727 H GLY 93 H GLY 93 -3.617 -1.741 -9.131 728 HA2 GLY 93 1HA GLY 93 -1.662 -1.014 -11.283 729 HA3 GLY 93 2HA GLY 93 -3.368 -1.315 -11.597 730 H GLU 94 H GLU 94 -4.865 0.248 -11.173 731 HA GLU 94 HA GLU 94 -3.833 2.949 -10.578 732 HB2 GLU 94 1HB GLU 94 -6.439 1.847 -11.657 733 HB3 GLU 94 2HB GLU 94 -6.261 3.536 -11.215 734 HG2 GLU 94 1HG GLU 94 -4.267 2.298 -13.141 735 HG3 GLU 94 2HG GLU 94 -5.876 2.789 -13.686 736 H GLY 95 H GLY 95 -5.644 0.342 -8.903 737 HA2 GLY 95 1HA GLY 95 -6.792 2.170 -6.938 738 HA3 GLY 95 2HA GLY 95 -6.818 0.440 -6.893 739 H TRP 96 H TRP 96 -4.000 2.655 -7.105 740 HA TRP 96 HA TRP 96 -2.596 1.421 -4.847 741 HB2 TRP 96 1HB TRP 96 -0.860 3.072 -5.396 742 HB3 TRP 96 2HB TRP 96 -1.361 2.144 -6.796 743 HD1 TRP 96 HD TRP 96 -2.532 3.482 -8.764 744 HE1 TRP 96 1HE TRP 96 -2.569 5.951 -9.414 745 HE3 TRP 96 3HE TRP 96 -0.636 5.471 -4.443 746 HZ2 TRP 96 2HZ TRP 96 -1.953 8.483 -8.165 747 HZ3 TRP 96 3HZ TRP 96 -0.380 7.958 -4.217 748 HH2 TRP 96 HH TRP 96 -0.980 9.441 -6.096 749 H LEU 97 H LEU 97 -1.885 2.773 -2.887 750 HA LEU 97 HA LEU 97 -4.101 4.606 -2.114 751 HB2 LEU 97 1HB LEU 97 -2.150 3.366 -0.213 752 HB3 LEU 97 2HB LEU 97 -3.592 4.299 0.138 753 HG LEU 97 HG LEU 97 -4.223 1.807 -1.309 754 HD11 LEU 97 1HD1 LEU 97 -3.669 0.286 0.524 755 HD12 LEU 97 2HD1 LEU 97 -2.184 1.015 -0.094 756 HD13 LEU 97 3HD1 LEU 97 -2.884 1.593 1.421 757 HD21 LEU 97 3HD2 LEU 97 -4.991 2.811 1.491 758 HD22 LEU 97 1HD2 LEU 97 -5.902 3.131 -0.016 759 HD23 LEU 97 2HD2 LEU 97 -5.733 1.473 0.613 760 H PHE 98 H PHE 98 -0.306 4.268 -1.408 761 HA PHE 98 HA PHE 98 -0.457 7.218 -2.008 762 HB2 PHE 98 1HB PHE 98 0.662 7.830 0.018 763 HB3 PHE 98 2HB PHE 98 -0.898 7.141 0.319 764 HD1 PHE 98 1HD PHE 98 2.735 6.647 0.717 765 HD2 PHE 98 2HD PHE 98 -1.167 5.038 1.562 766 HE1 PHE 98 1HE PHE 98 3.695 5.256 2.548 767 HE2 PHE 98 2HE PHE 98 -0.176 3.615 3.359 768 HZ PHE 98 HZ PHE 98 2.238 3.708 3.822 769 H LYS 99 H LYS 99 1.958 8.119 -1.657 770 HA LYS 99 HA LYS 99 3.839 6.114 -2.709 771 HB2 LYS 99 1HB LYS 99 3.750 8.917 -3.863 772 HB3 LYS 99 2HB LYS 99 4.755 7.570 -4.320 773 HG2 LYS 99 1HG LYS 99 2.610 6.324 -4.972 774 HG3 LYS 99 2HG LYS 99 1.813 7.893 -4.847 775 HD2 LYS 99 1HD LYS 99 3.437 8.798 -6.530 776 HD3 LYS 99 2HD LYS 99 4.177 7.180 -6.608 777 HE2 LYS 99 1HE LYS 99 1.859 6.275 -7.162 778 HE3 LYS 99 2HE LYS 99 1.339 7.958 -7.395 779 HZ1 LYS 99 3HZ LYS 99 3.578 6.670 -8.818 780 HZ2 LYS 99 1HZ LYS 99 2.040 6.788 -9.404 781 HZ3 LYS 99 2HZ LYS 99 2.933 8.161 -9.141 782 H MET 100 H MET 100 5.881 6.366 -1.864 783 HA MET 100 HA MET 100 6.369 8.681 -0.119 784 HB2 MET 100 1HB MET 100 6.988 7.077 1.663 785 HB3 MET 100 2HB MET 100 5.290 7.031 1.225 786 HG2 MET 100 1HG MET 100 5.595 4.805 1.255 787 HG3 MET 100 2HG MET 100 6.039 5.023 -0.395 788 HE1 MET 100 3HE MET 100 7.694 5.620 3.129 789 HE2 MET 100 1HE MET 100 7.114 3.941 3.185 790 HE3 MET 100 2HE MET 100 8.859 4.296 3.206 791 H GLU 101 H GLU 101 8.511 9.228 0.110 792 HA GLU 101 HA GLU 101 10.494 8.397 -1.774 793 HB2 GLU 101 1HB GLU 101 10.325 10.707 -0.901 794 HB3 GLU 101 2HB GLU 101 10.445 10.103 0.771 795 HG2 GLU 101 1HG GLU 101 12.723 9.183 0.202 796 HG3 GLU 101 2HG GLU 101 12.602 9.928 -1.385 797 H ILE 102 H ILE 102 11.843 6.684 -1.417 798 HA ILE 102 HA ILE 102 11.600 5.134 1.069 799 HB ILE 102 HB ILE 102 13.432 3.736 -0.087 800 HG12 ILE 102 1HG1 ILE 102 12.474 5.171 -2.578 801 HG13 ILE 102 2HG1 ILE 102 13.986 5.622 -1.767 802 HG21 ILE 102 1HG2 ILE 102 11.020 3.139 0.058 803 HG22 ILE 102 2HG2 ILE 102 10.697 4.090 -1.399 804 HG23 ILE 102 3HG2 ILE 102 11.695 2.621 -1.497 805 HD11 ILE 102 3HD1 ILE 102 13.551 2.787 -2.718 806 HD12 ILE 102 1HD1 ILE 102 14.064 4.079 -3.821 807 HD13 ILE 102 2HD1 ILE 102 15.056 3.687 -2.416 808 H SER 103 H SER 103 12.952 5.256 2.747 809 HA SER 103 HA SER 103 15.340 7.044 2.647 810 HB2 SER 103 1HB SER 103 13.412 6.273 4.864 811 HB3 SER 103 2HB SER 103 14.868 7.217 5.109 812 HG SER 103 HG SER 103 13.904 8.651 3.384 813 H ASP 104 H ASP 104 14.476 3.736 3.013 814 HA ASP 104 HA ASP 104 17.328 3.212 3.606 815 HB2 ASP 104 1HB ASP 104 15.126 1.780 5.124 816 HB3 ASP 104 2HB ASP 104 16.847 1.459 5.234 817 H GLU 105 H GLU 105 17.199 2.732 1.206 818 HA GLU 105 HA GLU 105 15.166 0.830 0.386 819 HB2 GLU 105 1HB GLU 105 15.452 1.508 -1.614 820 HB3 GLU 105 2HB GLU 105 16.470 2.767 -0.940 821 HG2 GLU 105 1HG GLU 105 18.347 1.984 -1.944 822 HG3 GLU 105 2HG GLU 105 17.933 0.287 -1.758 823 H GLY 106 H GLY 106 17.896 0.458 2.018 824 HA2 GLY 106 1HA GLY 106 18.798 -2.202 1.252 825 HA3 GLY 106 2HA GLY 106 18.993 -1.443 2.846 826 H GLU 107 H GLU 107 16.370 -0.900 3.605 827 HA GLU 107 HA GLU 107 15.626 -3.457 4.623 828 HB2 GLU 107 1HB GLU 107 14.279 -0.710 4.781 829 HB3 GLU 107 2HB GLU 107 13.582 -2.154 5.478 830 HG2 GLU 107 1HG GLU 107 15.962 -2.470 6.604 831 HG3 GLU 107 2HG GLU 107 16.094 -0.733 6.305 832 H LEU 108 H LEU 108 14.919 -2.282 1.565 833 HA LEU 108 HA LEU 108 12.204 -3.308 1.272 834 HB2 LEU 108 1HB LEU 108 14.407 -3.246 -0.784 835 HB3 LEU 108 2HB LEU 108 12.686 -3.400 -1.090 836 HG LEU 108 HG LEU 108 14.281 -0.991 -0.352 837 HD11 LEU 108 1HD1 LEU 108 13.326 -0.139 -2.412 838 HD12 LEU 108 2HD1 LEU 108 14.135 -1.672 -2.680 839 HD13 LEU 108 3HD1 LEU 108 12.366 -1.659 -2.606 840 HD21 LEU 108 3HD2 LEU 108 12.191 0.346 -0.390 841 HD22 LEU 108 1HD2 LEU 108 11.312 -1.187 -0.140 842 HD23 LEU 108 2HD2 LEU 108 12.536 -0.617 1.051 843 H GLU 109 H GLU 109 15.535 -4.663 1.125 844 HA GLU 109 HA GLU 109 14.644 -7.300 0.197 845 HB2 GLU 109 1HB GLU 109 17.267 -6.202 1.265 846 HB3 GLU 109 2HB GLU 109 17.072 -7.857 0.709 847 HG2 GLU 109 1HG GLU 109 16.298 -5.637 -1.200 848 HG3 GLU 109 2HG GLU 109 17.998 -5.896 -0.864 849 H ASP 110 H ASP 110 14.141 -5.742 3.102 850 HA ASP 110 HA ASP 110 14.465 -8.161 4.748 851 HB2 ASP 110 1HB ASP 110 14.770 -5.640 5.506 852 HB3 ASP 110 2HB ASP 110 13.014 -5.699 5.685 853 H LEU 111 H LEU 111 12.203 -6.685 2.620 854 HA LEU 111 HA LEU 111 9.734 -7.671 3.912 855 HB2 LEU 111 1HB LEU 111 10.214 -6.160 1.304 856 HB3 LEU 111 2HB LEU 111 8.667 -6.511 2.009 857 HG LEU 111 HG LEU 111 10.737 -4.620 3.146 858 HD11 LEU 111 1HD1 LEU 111 8.915 -2.992 2.700 859 HD12 LEU 111 2HD1 LEU 111 9.498 -3.786 1.216 860 HD13 LEU 111 3HD1 LEU 111 7.952 -4.271 1.948 861 HD21 LEU 111 3HD2 LEU 111 9.684 -5.669 5.061 862 HD22 LEU 111 1HD2 LEU 111 8.943 -4.083 4.847 863 HD23 LEU 111 2HD2 LEU 111 8.073 -5.537 4.325 864 H LEU 112 H LEU 112 8.107 -8.485 2.184 865 HA LEU 112 HA LEU 112 9.063 -11.152 1.516 866 HB2 LEU 112 1HB LEU 112 6.413 -9.749 1.054 867 HB3 LEU 112 2HB LEU 112 6.669 -11.462 0.826 868 HG LEU 112 HG LEU 112 7.194 -10.269 3.571 869 HD11 LEU 112 1HD1 LEU 112 5.092 -9.314 2.893 870 HD12 LEU 112 2HD1 LEU 112 4.461 -10.893 2.379 871 HD13 LEU 112 3HD1 LEU 112 4.786 -10.573 4.091 872 HD21 LEU 112 3HD2 LEU 112 6.395 -12.452 4.335 873 HD22 LEU 112 1HD2 LEU 112 5.986 -12.909 2.660 874 HD23 LEU 112 2HD2 LEU 112 7.695 -12.661 3.142 875 H ASP 113 H ASP 113 9.484 -11.944 -0.474 876 HA ASP 113 HA ASP 113 9.417 -10.637 -2.968 877 HB2 ASP 113 1HB ASP 113 8.643 -13.538 -2.790 878 HB3 ASP 113 2HB ASP 113 9.680 -12.724 -3.922 879 H GLU 114 H GLU 114 7.816 -11.427 -4.739 880 HA GLU 114 HA GLU 114 5.078 -10.972 -3.969 881 HB2 GLU 114 1HB GLU 114 5.926 -10.326 -6.209 882 HB3 GLU 114 2HB GLU 114 6.210 -12.030 -6.578 883 HG2 GLU 114 1HG GLU 114 3.897 -12.514 -6.717 884 HG3 GLU 114 2HG GLU 114 3.441 -11.139 -5.709 885 H GLN 115 H GLN 115 6.924 -13.989 -5.086 886 HA GLN 115 HA GLN 115 4.720 -15.705 -4.721 887 HB2 GLN 115 1HB GLN 115 6.525 -16.492 -6.037 888 HB3 GLN 115 2HB GLN 115 7.740 -16.028 -4.829 889 HG2 GLN 115 1HG GLN 115 7.041 -17.690 -3.303 890 HG3 GLN 115 2HG GLN 115 5.567 -18.036 -4.233 891 HE21 GLN 115 1HE2 GLN 115 6.292 -20.329 -3.908 892 HE22 GLN 115 2HE2 GLN 115 7.474 -20.957 -5.040 893 H ALA 116 H ALA 116 7.390 -14.629 -2.555 894 HA ALA 116 HA ALA 116 6.632 -16.321 -0.396 895 HB1 ALA 116 1HB ALA 116 8.090 -13.655 -0.245 896 HB2 ALA 116 2HB ALA 116 8.086 -14.930 0.978 897 HB3 ALA 116 3HB ALA 116 8.843 -15.238 -0.592 898 H TYR 117 H TYR 117 5.446 -13.061 -1.314 899 HA TYR 117 HA TYR 117 3.807 -12.712 1.042 900 HB2 TYR 117 1HB TYR 117 4.197 -10.774 -0.142 901 HB3 TYR 117 2HB TYR 117 3.937 -11.511 -1.720 902 HD1 TYR 117 1HD TYR 117 2.149 -10.311 1.357 903 HD2 TYR 117 2HD TYR 117 1.816 -11.597 -2.761 904 HE1 TYR 117 1HE TYR 117 -0.271 -9.919 1.432 905 HE2 TYR 117 2HE TYR 117 -0.600 -11.196 -2.700 906 HH TYR 117 HH TYR 117 -2.381 -11.330 -0.225 907 H GLN 118 H GLN 118 3.251 -14.238 -2.163 908 HA GLN 118 HA GLN 118 0.564 -15.029 -1.673 909 HB2 GLN 118 1HB GLN 118 0.795 -15.688 -3.768 910 HB3 GLN 118 2HB GLN 118 2.545 -15.525 -3.701 911 HG2 GLN 118 1HG GLN 118 2.704 -17.809 -2.775 912 HG3 GLN 118 2HG GLN 118 0.945 -17.996 -2.907 913 HE21 GLN 118 1HE2 GLN 118 2.731 -19.767 -3.902 914 HE22 GLN 118 2HE2 GLN 118 2.932 -19.651 -5.649 915 H GLU 119 H GLU 119 3.629 -16.872 -0.983 916 HA GLU 119 HA GLU 119 2.177 -18.996 0.178 917 HB2 GLU 119 1HB GLU 119 4.984 -18.333 1.023 918 HB3 GLU 119 2HB GLU 119 4.213 -19.907 1.004 919 HG2 GLU 119 1HG GLU 119 5.220 -18.318 -1.373 920 HG3 GLU 119 2HG GLU 119 5.927 -19.740 -0.688 921 H PHE 120 H PHE 120 3.164 -15.928 1.595 922 HA PHE 120 HA PHE 120 2.716 -16.605 4.356 923 HB2 PHE 120 1HB PHE 120 3.883 -14.564 3.581 924 HB3 PHE 120 2HB PHE 120 2.380 -13.942 2.932 925 HD1 PHE 120 1HD PHE 120 3.443 -15.527 6.178 926 HD2 PHE 120 2HD PHE 120 1.428 -12.230 4.252 927 HE1 PHE 120 1HE PHE 120 2.779 -14.639 8.389 928 HE2 PHE 120 2HE PHE 120 0.736 -11.378 6.457 929 HZ PHE 120 HZ PHE 120 1.435 -12.511 8.521 930 H CYS 121 H CYS 121 0.502 -15.888 1.678 931 HA CYS 121 HA CYS 121 -1.805 -15.499 3.350 932 HB2 CYS 121 1HB CYS 121 -3.057 -15.348 1.470 933 HB3 CYS 121 2HB CYS 121 -1.485 -14.947 0.795 934 HG CYS 121 HG CYS 121 -1.039 -17.274 -0.268 935 H ALA 122 H ALA 122 -0.148 -18.289 2.094 936 HA ALA 122 HA ALA 122 -2.206 -20.215 2.522 937 HB1 ALA 122 1HB ALA 122 0.794 -20.747 2.700 938 HB2 ALA 122 2HB ALA 122 -0.473 -21.875 2.246 939 HB3 ALA 122 3HB ALA 122 -0.069 -20.531 1.157 940 H GLN 123 H GLN 123 -0.180 -18.527 4.721 941 HA GLN 123 HA GLN 123 -0.646 -20.339 7.011 942 HB2 GLN 123 1HB GLN 123 1.253 -18.125 6.254 943 HB3 GLN 123 2HB GLN 123 0.865 -18.265 7.957 944 HG2 GLN 123 1HG GLN 123 1.644 -20.777 6.482 945 HG3 GLN 123 2HG GLN 123 2.892 -19.600 6.847 946 HE21 GLN 123 1HE2 GLN 123 3.098 -18.866 9.140 947 HE22 GLN 123 2HE2 GLN 123 2.569 -19.882 10.464 948 H GLU 124 H GLU 124 -2.518 -17.979 5.512 949 HA GLU 124 HA GLU 124 -3.165 -16.564 8.050 950 HB2 GLU 124 1HB GLU 124 -2.685 -15.314 5.921 951 HB3 GLU 124 2HB GLU 124 -4.200 -15.929 5.266 952 HG2 GLU 124 1HG GLU 124 -5.487 -14.645 6.742 953 HG3 GLU 124 2HG GLU 124 -4.249 -14.639 8.011 Start of MODEL 17 1 H1 MET 1 H MET 1 17.060 0.132 -9.448 2 HA MET 1 HA MET 1 16.370 -0.798 -11.505 3 HB2 MET 1 1HB MET 1 16.708 -3.579 -10.308 4 HB3 MET 1 2HB MET 1 16.294 -3.148 -11.964 5 HG2 MET 1 1HG MET 1 18.522 -3.817 -12.065 6 HG3 MET 1 2HG MET 1 18.611 -2.060 -12.134 7 HE1 MET 1 3HE MET 1 21.367 -2.768 -11.560 8 HE2 MET 1 1HE MET 1 21.799 -3.601 -10.054 9 HE3 MET 1 2HE MET 1 20.888 -4.463 -11.306 10 H LYS 2 H LYS 2 14.138 -1.188 -11.894 11 HA LYS 2 HA LYS 2 12.383 -0.606 -9.853 12 HB2 LYS 2 1HB LYS 2 11.670 -2.153 -12.390 13 HB3 LYS 2 2HB LYS 2 10.546 -1.346 -11.308 14 HG2 LYS 2 1HG LYS 2 10.732 0.401 -12.661 15 HG3 LYS 2 2HG LYS 2 12.222 0.734 -11.816 16 HD2 LYS 2 1HD LYS 2 13.049 0.847 -13.951 17 HD3 LYS 2 2HD LYS 2 13.239 -0.886 -13.720 18 HE2 LYS 2 1HE LYS 2 12.190 -0.652 -15.828 19 HE3 LYS 2 2HE LYS 2 10.889 -1.153 -14.738 20 HZ1 LYS 2 3HZ LYS 2 10.199 0.633 -16.156 21 HZ2 LYS 2 1HZ LYS 2 10.204 1.198 -14.619 22 HZ3 LYS 2 2HZ LYS 2 11.411 1.614 -15.674 23 H MET 3 H MET 3 11.637 -1.664 -8.083 24 HA MET 3 HA MET 3 11.538 -4.648 -8.091 25 HB2 MET 3 1HB MET 3 13.620 -3.924 -7.089 26 HB3 MET 3 2HB MET 3 12.780 -2.766 -6.042 27 HG2 MET 3 1HG MET 3 11.720 -4.531 -4.806 28 HG3 MET 3 2HG MET 3 12.251 -5.753 -5.957 29 HE1 MET 3 3HE MET 3 16.006 -3.948 -4.076 30 HE2 MET 3 1HE MET 3 15.489 -3.878 -5.767 31 HE3 MET 3 2HE MET 3 14.670 -2.881 -4.542 32 H LYS 4 H LYS 4 9.845 -5.516 -6.843 33 HA LYS 4 HA LYS 4 7.977 -3.626 -5.545 34 HB2 LYS 4 1HB LYS 4 7.011 -3.625 -7.610 35 HB3 LYS 4 2HB LYS 4 7.480 -5.274 -7.986 36 HG2 LYS 4 1HG LYS 4 5.629 -6.208 -7.174 37 HG3 LYS 4 2HG LYS 4 5.505 -5.146 -5.782 38 HD2 LYS 4 1HD LYS 4 4.255 -3.565 -6.851 39 HD3 LYS 4 2HD LYS 4 4.942 -3.867 -8.445 40 HE2 LYS 4 1HE LYS 4 3.072 -5.823 -7.065 41 HE3 LYS 4 2HE LYS 4 2.515 -4.519 -8.121 42 HZ1 LYS 4 3HZ LYS 4 3.855 -5.454 -9.905 43 HZ2 LYS 4 1HZ LYS 4 4.273 -6.756 -8.957 44 HZ3 LYS 4 2HZ LYS 4 2.717 -6.477 -9.386 45 H LYS 5 H LYS 5 8.149 -4.342 -3.533 46 HA LYS 5 HA LYS 5 7.997 -7.279 -3.051 47 HB2 LYS 5 1HB LYS 5 9.082 -5.152 -1.181 48 HB3 LYS 5 2HB LYS 5 9.064 -6.882 -0.893 49 HG2 LYS 5 1HG LYS 5 10.391 -6.468 -3.441 50 HG3 LYS 5 2HG LYS 5 10.989 -5.256 -2.336 51 HD2 LYS 5 1HD LYS 5 12.499 -6.825 -1.799 52 HD3 LYS 5 2HD LYS 5 11.222 -7.489 -0.765 53 HE2 LYS 5 1HE LYS 5 10.879 -9.283 -2.061 54 HE3 LYS 5 2HE LYS 5 11.134 -8.412 -3.582 55 HZ1 LYS 5 3HZ LYS 5 12.820 -10.006 -3.293 56 HZ2 LYS 5 1HZ LYS 5 13.523 -8.562 -3.193 57 HZ3 LYS 5 2HZ LYS 5 13.254 -9.469 -1.811 58 H TYR 6 H TYR 6 6.907 -7.597 -0.713 59 HA TYR 6 HA TYR 6 4.415 -5.988 -0.499 60 HB2 TYR 6 1HB TYR 6 4.574 -9.000 -0.626 61 HB3 TYR 6 2HB TYR 6 3.112 -8.064 -0.456 62 HD1 TYR 6 2HD TYR 6 5.866 -8.894 -2.875 63 HD2 TYR 6 1HD TYR 6 1.860 -7.420 -2.342 64 HE1 TYR 6 2HE TYR 6 5.598 -8.803 -5.313 65 HE2 TYR 6 1HE TYR 6 1.520 -7.435 -4.798 66 HH TYR 6 HH TYR 6 4.044 -8.543 -7.104 67 H THR 7 H THR 7 3.181 -6.923 1.588 68 HA THR 7 HA THR 7 5.164 -7.722 3.640 69 HB THR 7 HB THR 7 4.145 -5.941 5.115 70 HG1 THR 7 1HG THR 7 2.300 -5.789 3.299 71 HG21 THR 7 3HG2 THR 7 5.200 -4.621 2.593 72 HG22 THR 7 1HG2 THR 7 5.367 -4.103 4.284 73 HG23 THR 7 2HG2 THR 7 6.226 -5.536 3.702 74 H LYS 8 H LYS 8 3.587 -7.507 5.789 75 HA LYS 8 HA LYS 8 1.901 -9.896 5.722 76 HB2 LYS 8 1HB LYS 8 1.851 -8.431 8.246 77 HB3 LYS 8 2HB LYS 8 2.458 -9.993 7.896 78 HG2 LYS 8 1HG LYS 8 4.646 -8.730 7.096 79 HG3 LYS 8 2HG LYS 8 3.887 -7.286 7.794 80 HD2 LYS 8 1HD LYS 8 5.427 -8.256 9.381 81 HD3 LYS 8 2HD LYS 8 3.770 -8.521 9.977 82 HE2 LYS 8 1HE LYS 8 3.917 -10.761 9.775 83 HE3 LYS 8 2HE LYS 8 4.558 -10.627 8.141 84 HZ1 LYS 8 3HZ LYS 8 6.106 -11.719 9.554 85 HZ2 LYS 8 1HZ LYS 8 6.723 -10.323 8.950 86 HZ3 LYS 8 2HZ LYS 8 6.228 -10.402 10.543 87 H THR 9 H THR 9 1.473 -6.345 5.753 88 HA THR 9 HA THR 9 -1.234 -6.655 6.757 89 HB THR 9 HB THR 9 -1.100 -4.166 6.714 90 HG1 THR 9 1HG THR 9 0.346 -3.362 5.392 91 HG21 THR 9 3HG2 THR 9 1.392 -5.499 7.896 92 HG22 THR 9 1HG2 THR 9 0.618 -4.061 8.500 93 HG23 THR 9 2HG2 THR 9 -0.212 -5.598 8.625 94 H HIS 10 H HIS 10 -0.851 -7.938 4.220 95 HA HIS 10 HA HIS 10 -1.383 -7.947 2.012 96 HB2 HIS 10 1HB HIS 10 -3.938 -7.457 1.759 97 HB3 HIS 10 2HB HIS 10 -3.329 -8.821 2.649 98 HD1 HIS 10 1HD HIS 10 -5.037 -5.356 3.347 99 HD2 HIS 10 2HD HIS 10 -3.653 -8.869 5.291 100 HE1 HIS 10 1HE HIS 10 -5.841 -5.242 5.670 101 HE2 HIS 10 2HE HIS 10 -4.912 -7.336 6.943 102 H GLU 11 H GLU 11 -0.131 -5.424 2.620 103 HA GLU 11 HA GLU 11 -0.935 -3.598 0.481 104 HB2 GLU 11 1HB GLU 11 1.020 -3.630 2.741 105 HB3 GLU 11 2HB GLU 11 1.475 -2.694 1.327 106 HG2 GLU 11 1HG GLU 11 -0.221 -1.129 1.590 107 HG3 GLU 11 2HG GLU 11 -1.280 -2.272 2.403 108 H TRP 12 H TRP 12 0.703 -3.000 -1.088 109 HA TRP 12 HA TRP 12 2.876 -4.925 -1.662 110 HB2 TRP 12 1HB TRP 12 2.584 -4.395 -4.081 111 HB3 TRP 12 2HB TRP 12 1.290 -5.349 -3.393 112 HD1 TRP 12 HD TRP 12 -1.090 -4.364 -3.256 113 HE1 TRP 12 1HE TRP 12 -2.291 -2.485 -4.522 114 HE3 TRP 12 3HE TRP 12 2.990 -1.862 -5.142 115 HZ2 TRP 12 2HZ TRP 12 -1.613 -0.403 -6.301 116 HZ3 TRP 12 3HZ TRP 12 2.577 0.054 -6.713 117 HH2 TRP 12 HH TRP 12 0.339 0.755 -7.295 118 H VAL 13 H VAL 13 4.600 -3.760 -2.994 119 HA VAL 13 HA VAL 13 4.760 -0.871 -2.452 120 HB VAL 13 HB VAL 13 7.229 -2.563 -2.194 121 HG11 VAL 13 1HG1 VAL 13 7.840 -0.830 -0.589 122 HG12 VAL 13 2HG1 VAL 13 7.535 -0.312 -2.229 123 HG13 VAL 13 3HG1 VAL 13 6.314 0.007 -0.949 124 HG21 VAL 13 3HG2 VAL 13 6.906 -2.741 0.306 125 HG22 VAL 13 1HG2 VAL 13 5.202 -2.279 0.072 126 HG23 VAL 13 2HG2 VAL 13 5.813 -3.792 -0.574 127 H SER 14 H SER 14 5.621 0.178 -4.275 128 HA SER 14 HA SER 14 6.811 -1.449 -6.506 129 HB2 SER 14 1HB SER 14 4.460 0.230 -6.258 130 HB3 SER 14 2HB SER 14 5.489 0.806 -7.544 131 HG SER 14 HG SER 14 3.967 -0.753 -8.241 132 H ILE 15 H ILE 15 8.950 -0.860 -6.041 133 HA ILE 15 HA ILE 15 9.601 2.007 -5.751 134 HB ILE 15 HB ILE 15 11.360 -0.434 -5.369 135 HG12 ILE 15 1HG1 ILE 15 10.835 0.645 -2.857 136 HG13 ILE 15 2HG1 ILE 15 9.263 0.610 -3.627 137 HG21 ILE 15 1HG2 ILE 15 12.530 1.705 -5.794 138 HG22 ILE 15 2HG2 ILE 15 11.656 2.444 -4.431 139 HG23 ILE 15 3HG2 ILE 15 12.805 1.104 -4.162 140 HD11 ILE 15 3HD1 ILE 15 9.405 -1.755 -4.080 141 HD12 ILE 15 1HD1 ILE 15 11.075 -1.809 -3.471 142 HD13 ILE 15 2HD1 ILE 15 9.730 -1.459 -2.365 143 H GLU 16 H GLU 16 9.285 2.635 -7.835 144 HA GLU 16 HA GLU 16 10.541 1.234 -10.107 145 HB2 GLU 16 1HB GLU 16 8.608 2.554 -10.652 146 HB3 GLU 16 2HB GLU 16 9.306 4.009 -9.943 147 HG2 GLU 16 1HG GLU 16 10.507 4.485 -11.801 148 HG3 GLU 16 2HG GLU 16 11.082 2.841 -12.002 149 H ASP 17 H ASP 17 11.088 4.518 -8.815 150 HA ASP 17 HA ASP 17 14.027 4.214 -9.256 151 HB2 ASP 17 1HB ASP 17 12.062 6.375 -9.755 152 HB3 ASP 17 2HB ASP 17 13.539 6.926 -8.981 153 H LYS 18 H LYS 18 12.719 6.767 -7.276 154 HA LYS 18 HA LYS 18 13.645 5.384 -4.788 155 HB2 LYS 18 1HB LYS 18 13.724 8.364 -5.320 156 HB3 LYS 18 2HB LYS 18 14.523 7.456 -4.037 157 HG2 LYS 18 1HG LYS 18 16.009 6.373 -5.783 158 HG3 LYS 18 2HG LYS 18 15.203 7.352 -7.011 159 HD2 LYS 18 1HD LYS 18 16.851 8.774 -6.702 160 HD3 LYS 18 2HD LYS 18 15.889 9.360 -5.355 161 HE2 LYS 18 1HE LYS 18 18.385 7.652 -5.368 162 HE3 LYS 18 2HE LYS 18 18.107 9.199 -4.579 163 HZ1 LYS 18 3HZ LYS 18 18.132 7.615 -2.919 164 HZ2 LYS 18 1HZ LYS 18 16.541 7.897 -3.061 165 HZ3 LYS 18 2HZ LYS 18 17.228 6.525 -3.709 166 H VAL 19 H VAL 19 10.926 5.902 -6.227 167 HA VAL 19 HA VAL 19 9.454 6.838 -3.845 168 HB VAL 19 HB VAL 19 8.902 7.285 -6.803 169 HG11 VAL 19 1HG1 VAL 19 6.785 6.523 -5.847 170 HG12 VAL 19 2HG1 VAL 19 7.035 7.579 -4.428 171 HG13 VAL 19 3HG1 VAL 19 6.730 8.285 -6.038 172 HG21 VAL 19 3HG2 VAL 19 8.661 9.637 -6.065 173 HG22 VAL 19 1HG2 VAL 19 8.955 9.159 -4.386 174 HG23 VAL 19 2HG2 VAL 19 10.255 9.023 -5.598 175 H ALA 20 H ALA 20 8.445 5.187 -2.949 176 HA ALA 20 HA ALA 20 7.792 2.749 -4.535 177 HB1 ALA 20 1HB ALA 20 7.737 3.190 -1.533 178 HB2 ALA 20 2HB ALA 20 7.327 1.699 -2.405 179 HB3 ALA 20 3HB ALA 20 8.991 2.301 -2.426 180 H THR 21 H THR 21 5.828 2.655 -5.310 181 HA THR 21 HA THR 21 3.599 4.219 -4.160 182 HB THR 21 HB THR 21 3.595 2.054 -6.306 183 HG1 THR 21 1HG THR 21 4.786 3.834 -7.075 184 HG21 THR 21 3HG2 THR 21 1.400 2.409 -5.317 185 HG22 THR 21 1HG2 THR 21 1.547 4.160 -5.540 186 HG23 THR 21 2HG2 THR 21 1.435 3.091 -6.947 187 H VAL 22 H VAL 22 2.417 3.561 -2.501 188 HA VAL 22 HA VAL 22 2.398 0.709 -1.683 189 HB VAL 22 HB VAL 22 1.409 3.219 -0.235 190 HG11 VAL 22 1HG1 VAL 22 1.380 1.768 1.772 191 HG12 VAL 22 2HG1 VAL 22 0.281 1.184 0.535 192 HG13 VAL 22 3HG1 VAL 22 1.839 0.370 0.772 193 HG21 VAL 22 3HG2 VAL 22 4.056 1.747 0.056 194 HG22 VAL 22 1HG2 VAL 22 3.802 3.448 -0.394 195 HG23 VAL 22 2HG2 VAL 22 3.413 2.915 1.237 196 H GLY 23 H GLY 23 0.473 -0.413 -1.966 197 HA2 GLY 23 1HA GLY 23 -2.063 0.965 -1.922 198 HA3 GLY 23 2HA GLY 23 -1.825 0.063 -3.374 199 H ILE 24 H ILE 24 -3.840 -0.950 -1.826 200 HA ILE 24 HA ILE 24 -2.633 -3.174 -0.297 201 HB ILE 24 HB ILE 24 -4.932 -3.885 0.206 202 HG12 ILE 24 1HG1 ILE 24 -5.814 -1.040 -0.231 203 HG13 ILE 24 2HG1 ILE 24 -5.936 -2.214 -1.537 204 HG21 ILE 24 1HG2 ILE 24 -5.083 -2.290 2.118 205 HG22 ILE 24 2HG2 ILE 24 -3.455 -2.912 1.847 206 HG23 ILE 24 3HG2 ILE 24 -3.875 -1.269 1.328 207 HD11 ILE 24 3HD1 ILE 24 -7.992 -1.902 0.074 208 HD12 ILE 24 1HD1 ILE 24 -7.552 -3.520 -0.431 209 HD13 ILE 24 2HD1 ILE 24 -7.084 -2.914 1.187 210 H THR 25 H THR 25 -2.932 -5.245 -0.856 211 HA THR 25 HA THR 25 -2.975 -5.776 -3.722 212 HB THR 25 HB THR 25 -2.624 -8.136 -2.954 213 HG1 THR 25 1HG THR 25 -2.873 -6.947 -0.386 214 HG21 THR 25 3HG2 THR 25 -0.660 -6.741 -3.225 215 HG22 THR 25 1HG2 THR 25 -0.884 -6.021 -1.611 216 HG23 THR 25 2HG2 THR 25 -0.446 -7.719 -1.760 217 H ASN 26 H ASN 26 -4.241 -7.653 -4.574 218 HA ASN 26 HA ASN 26 -7.021 -7.257 -4.522 219 HB2 ASN 26 1HB ASN 26 -6.798 -8.547 -6.269 220 HB3 ASN 26 2HB ASN 26 -5.156 -8.958 -5.877 221 HD21 ASN 26 1HD2 ASN 26 -8.525 -9.993 -5.878 222 HD22 ASN 26 2HD2 ASN 26 -8.248 -11.633 -5.411 223 H HIS 27 H HIS 27 -5.083 -9.532 -2.628 224 HA HIS 27 HA HIS 27 -7.173 -10.969 -1.430 225 HB2 HIS 27 1HB HIS 27 -4.711 -11.472 -1.227 226 HB3 HIS 27 2HB HIS 27 -4.620 -10.268 0.055 227 HD1 HIS 27 1HD HIS 27 -6.005 -13.781 -0.668 228 HD2 HIS 27 2HD HIS 27 -5.792 -10.911 2.445 229 HE1 HIS 27 1HE HIS 27 -6.444 -15.037 1.550 230 HE2 HIS 27 2HE HIS 27 -6.203 -13.345 3.429 231 H ALA 28 H ALA 28 -6.430 -7.630 -0.819 232 HA ALA 28 HA ALA 28 -7.751 -7.585 1.809 233 HB1 ALA 28 1HB ALA 28 -7.184 -5.207 1.699 234 HB2 ALA 28 2HB ALA 28 -5.777 -6.249 1.374 235 HB3 ALA 28 3HB ALA 28 -6.594 -5.445 0.030 236 H GLN 29 H GLN 29 -8.379 -6.189 -1.552 237 HA GLN 29 HA GLN 29 -11.022 -5.372 -0.904 238 HB2 GLN 29 1HB GLN 29 -11.338 -5.136 -3.286 239 HB3 GLN 29 2HB GLN 29 -9.847 -4.460 -2.735 240 HG2 GLN 29 1HG GLN 29 -9.268 -5.353 -4.736 241 HG3 GLN 29 2HG GLN 29 -8.684 -6.521 -3.598 242 HE21 GLN 29 1HE2 GLN 29 -9.569 -8.705 -3.795 243 HE22 GLN 29 2HE2 GLN 29 -10.831 -9.063 -4.994 244 H GLU 30 H GLU 30 -9.717 -8.536 -1.541 245 HA GLU 30 HA GLU 30 -11.972 -10.014 -2.263 246 HB2 GLU 30 1HB GLU 30 -9.264 -10.390 -1.211 247 HB3 GLU 30 2HB GLU 30 -10.332 -11.595 -0.572 248 HG2 GLU 30 1HG GLU 30 -10.076 -10.925 -3.533 249 HG3 GLU 30 2HG GLU 30 -9.144 -12.169 -2.715 250 H GLN 31 H GLN 31 -11.383 -8.425 0.780 251 HA GLN 31 HA GLN 31 -13.523 -10.091 2.061 252 HB2 GLN 31 1HB GLN 31 -11.354 -8.401 3.377 253 HB3 GLN 31 2HB GLN 31 -12.692 -9.235 4.183 254 HG2 GLN 31 1HG GLN 31 -11.784 -11.419 3.234 255 HG3 GLN 31 2HG GLN 31 -10.379 -10.488 2.661 256 HE21 GLN 31 1HE2 GLN 31 -9.097 -11.915 4.047 257 HE22 GLN 31 2HE2 GLN 31 -8.915 -11.442 5.755 258 H LEU 32 H LEU 32 -12.205 -6.731 1.746 259 HA LEU 32 HA LEU 32 -14.473 -5.600 3.091 260 HB2 LEU 32 1HB LEU 32 -12.582 -4.230 1.128 261 HB3 LEU 32 2HB LEU 32 -13.766 -3.447 2.145 262 HG LEU 32 HG LEU 32 -11.112 -4.621 2.894 263 HD11 LEU 32 1HD1 LEU 32 -11.529 -2.138 2.448 264 HD12 LEU 32 2HD1 LEU 32 -12.531 -2.112 3.920 265 HD13 LEU 32 3HD1 LEU 32 -10.828 -2.501 4.023 266 HD21 LEU 32 3HD2 LEU 32 -12.549 -5.773 4.508 267 HD22 LEU 32 1HD2 LEU 32 -11.681 -4.471 5.317 268 HD23 LEU 32 2HD2 LEU 32 -13.382 -4.252 4.884 269 H GLY 33 H GLY 33 -13.797 -6.270 -0.343 270 HA2 GLY 33 1HA GLY 33 -15.092 -6.333 -2.166 271 HA3 GLY 33 2HA GLY 33 -16.524 -6.249 -1.128 272 H ASP 34 H ASP 34 -17.723 -4.571 -1.579 273 HA ASP 34 HA ASP 34 -16.893 -2.292 -3.108 274 HB2 ASP 34 1HB ASP 34 -19.396 -2.993 -1.516 275 HB3 ASP 34 2HB ASP 34 -19.182 -1.455 -2.346 276 H VAL 35 H VAL 35 -15.641 -0.724 -2.281 277 HA VAL 35 HA VAL 35 -15.745 -0.092 0.609 278 HB VAL 35 HB VAL 35 -13.815 1.067 -1.384 279 HG11 VAL 35 1HG1 VAL 35 -13.220 0.539 1.539 280 HG12 VAL 35 2HG1 VAL 35 -12.656 1.844 0.479 281 HG13 VAL 35 3HG1 VAL 35 -14.264 1.876 1.218 282 HG21 VAL 35 3HG2 VAL 35 -13.558 -1.453 0.277 283 HG22 VAL 35 1HG2 VAL 35 -13.300 -1.274 -1.489 284 HG23 VAL 35 2HG2 VAL 35 -12.166 -0.542 -0.338 285 H VAL 36 H VAL 36 -15.086 2.686 0.123 286 HA VAL 36 HA VAL 36 -17.491 3.998 -0.715 287 HB VAL 36 HB VAL 36 -17.919 2.265 1.252 288 HG11 VAL 36 1HG1 VAL 36 -17.857 2.990 3.463 289 HG12 VAL 36 2HG1 VAL 36 -16.280 2.833 2.675 290 HG13 VAL 36 3HG1 VAL 36 -16.959 4.455 3.001 291 HG21 VAL 36 3HG2 VAL 36 -19.770 3.557 2.119 292 HG22 VAL 36 1HG2 VAL 36 -19.073 5.058 1.431 293 HG23 VAL 36 2HG2 VAL 36 -19.642 3.744 0.356 294 H TYR 37 H TYR 37 -14.682 3.654 1.540 295 HA TYR 37 HA TYR 37 -13.947 6.469 0.897 296 HB2 TYR 37 1HB TYR 37 -15.500 6.509 2.867 297 HB3 TYR 37 2HB TYR 37 -14.400 5.435 3.731 298 HD1 TYR 37 1HD TYR 37 -14.339 8.759 1.923 299 HD2 TYR 37 2HD TYR 37 -12.623 6.346 5.069 300 HE1 TYR 37 1HE TYR 37 -12.988 10.692 2.659 301 HE2 TYR 37 2HE TYR 37 -11.216 8.254 5.753 302 HH TYR 37 HH TYR 37 -10.398 10.696 4.522 303 H VAL 38 H VAL 38 -11.788 7.021 1.465 304 HA VAL 38 HA VAL 38 -10.075 5.037 2.721 305 HB VAL 38 HB VAL 38 -9.543 6.214 -0.025 306 HG11 VAL 38 1HG1 VAL 38 -7.406 5.126 0.008 307 HG12 VAL 38 2HG1 VAL 38 -7.539 6.230 1.320 308 HG13 VAL 38 3HG1 VAL 38 -7.708 4.491 1.654 309 HG21 VAL 38 3HG2 VAL 38 -10.690 3.649 0.500 310 HG22 VAL 38 1HG2 VAL 38 -10.417 4.458 -0.990 311 HG23 VAL 38 2HG2 VAL 38 -9.124 3.464 -0.295 312 H ASP 39 H ASP 39 -8.831 5.894 4.105 313 HA ASP 39 HA ASP 39 -8.748 8.729 4.346 314 HB2 ASP 39 1HB ASP 39 -8.774 7.493 6.461 315 HB3 ASP 39 2HB ASP 39 -7.420 6.496 5.988 316 H LEU 40 H LEU 40 -6.875 10.014 3.728 317 HA LEU 40 HA LEU 40 -4.624 8.519 2.510 318 HB2 LEU 40 1HB LEU 40 -5.970 10.949 1.324 319 HB3 LEU 40 2HB LEU 40 -4.477 10.261 0.740 320 HG LEU 40 HG LEU 40 -7.112 8.709 0.785 321 HD11 LEU 40 1HD1 LEU 40 -7.301 10.666 -0.672 322 HD12 LEU 40 2HD1 LEU 40 -5.800 10.209 -1.508 323 HD13 LEU 40 3HD1 LEU 40 -7.239 9.173 -1.612 324 HD21 LEU 40 3HD2 LEU 40 -5.168 7.232 0.726 325 HD22 LEU 40 1HD2 LEU 40 -5.876 7.296 -0.891 326 HD23 LEU 40 2HD2 LEU 40 -4.410 8.227 -0.539 327 HA PRO 41 HA PRO 41 -2.537 11.274 5.241 328 HB2 PRO 41 1HB PRO 41 0.099 10.856 4.370 329 HB3 PRO 41 2HB PRO 41 -0.841 9.819 5.471 330 HG2 PRO 41 1HG PRO 41 -0.188 9.353 2.597 331 HG3 PRO 41 2HG PRO 41 -0.595 8.188 3.894 332 HD2 PRO 41 1HD PRO 41 -2.334 9.162 1.840 333 HD3 PRO 41 2HD PRO 41 -2.744 8.167 3.266 334 H GLU 42 H GLU 42 -0.653 12.980 5.185 335 HA GLU 42 HA GLU 42 -1.162 14.914 3.028 336 HB2 GLU 42 1HB GLU 42 -0.929 15.323 5.667 337 HB3 GLU 42 2HB GLU 42 0.787 15.348 5.319 338 HG2 GLU 42 1HG GLU 42 -0.948 16.998 3.489 339 HG3 GLU 42 2HG GLU 42 -0.940 17.479 5.171 340 H VAL 43 H VAL 43 1.044 16.100 2.302 341 HA VAL 43 HA VAL 43 2.395 13.835 0.948 342 HB VAL 43 HB VAL 43 0.810 15.581 -0.144 343 HG11 VAL 43 1HG1 VAL 43 2.134 17.596 0.679 344 HG12 VAL 43 2HG1 VAL 43 3.400 17.110 -0.449 345 HG13 VAL 43 3HG1 VAL 43 1.813 17.550 -1.077 346 HG21 VAL 43 3HG2 VAL 43 1.942 15.276 -2.258 347 HG22 VAL 43 1HG2 VAL 43 3.459 14.884 -1.408 348 HG23 VAL 43 2HG2 VAL 43 2.085 13.803 -1.287 349 H GLY 44 H GLY 44 3.114 14.995 3.339 350 HA2 GLY 44 1HA GLY 44 6.055 15.270 3.168 351 HA3 GLY 44 2HA GLY 44 5.179 16.646 3.882 352 H ARG 45 H ARG 45 3.635 13.620 4.473 353 HA ARG 45 HA ARG 45 4.193 13.795 7.333 354 HB2 ARG 45 1HB ARG 45 1.938 13.286 6.311 355 HB3 ARG 45 2HB ARG 45 2.593 11.757 5.705 356 HG2 ARG 45 1HG ARG 45 3.074 11.059 8.059 357 HG3 ARG 45 2HG ARG 45 2.416 12.618 8.624 358 HD2 ARG 45 1HD ARG 45 0.251 12.076 7.598 359 HD3 ARG 45 2HD ARG 45 0.873 10.480 7.095 360 HE ARG 45 HE ARG 45 1.430 10.477 9.738 361 HH11 ARG 45 2HH2 ARG 45 -1.794 10.828 8.074 362 HH12 ARG 45 1HH2 ARG 45 -2.619 10.423 9.508 363 HH21 ARG 45 2HH1 ARG 45 0.332 9.874 11.428 364 HH22 ARG 45 1HH1 ARG 45 -1.410 9.745 11.453 365 H GLU 46 H GLU 46 5.635 12.394 8.433 366 HA GLU 46 HA GLU 46 7.288 10.579 6.720 367 HB2 GLU 46 1HB GLU 46 7.714 11.913 9.382 368 HB3 GLU 46 2HB GLU 46 8.295 10.254 9.218 369 HG2 GLU 46 1HG GLU 46 9.386 10.948 7.021 370 HG3 GLU 46 2HG GLU 46 9.054 12.620 7.478 371 H VAL 47 H VAL 47 7.311 8.316 7.163 372 HA VAL 47 HA VAL 47 5.302 7.243 9.038 373 HB VAL 47 HB VAL 47 4.528 5.652 7.380 374 HG11 VAL 47 1HG1 VAL 47 4.283 8.482 6.293 375 HG12 VAL 47 2HG1 VAL 47 3.135 7.146 6.113 376 HG13 VAL 47 3HG1 VAL 47 3.414 7.871 7.708 377 HG21 VAL 47 3HG2 VAL 47 5.004 5.880 4.982 378 HG22 VAL 47 1HG2 VAL 47 6.200 7.148 5.313 379 HG23 VAL 47 2HG2 VAL 47 6.471 5.484 5.874 380 H LYS 48 H LYS 48 5.656 4.863 9.394 381 HA LYS 48 HA LYS 48 8.474 4.030 9.182 382 HB2 LYS 48 1HB LYS 48 6.404 3.455 11.315 383 HB3 LYS 48 2HB LYS 48 7.971 2.685 11.197 384 HG2 LYS 48 1HG LYS 48 9.078 4.910 11.410 385 HG3 LYS 48 2HG LYS 48 7.493 5.658 11.676 386 HD2 LYS 48 1HD LYS 48 8.603 3.397 13.375 387 HD3 LYS 48 2HD LYS 48 8.802 5.113 13.762 388 HE2 LYS 48 1HE LYS 48 6.310 5.376 13.747 389 HE3 LYS 48 2HE LYS 48 6.142 3.655 13.422 390 HZ1 LYS 48 3HZ LYS 48 7.292 3.240 15.528 391 HZ2 LYS 48 1HZ LYS 48 7.336 4.875 15.803 392 HZ3 LYS 48 2HZ LYS 48 5.881 4.096 15.732 393 H LYS 49 H LYS 49 8.544 1.667 9.111 394 HA LYS 49 HA LYS 49 7.059 0.344 7.217 395 HB2 LYS 49 1HB LYS 49 8.344 -1.642 8.063 396 HB3 LYS 49 2HB LYS 49 9.318 -0.176 8.161 397 HG2 LYS 49 1HG LYS 49 8.842 0.091 10.545 398 HG3 LYS 49 2HG LYS 49 7.772 -1.305 10.552 399 HD2 LYS 49 1HD LYS 49 10.681 -1.547 9.769 400 HD3 LYS 49 2HD LYS 49 10.164 -1.506 11.455 401 HE2 LYS 49 1HE LYS 49 8.628 -3.443 11.005 402 HE3 LYS 49 2HE LYS 49 9.337 -3.577 9.377 403 HZ1 LYS 49 3HZ LYS 49 10.425 -5.022 11.044 404 HZ2 LYS 49 1HZ LYS 49 11.466 -3.936 10.381 405 HZ3 LYS 49 2HZ LYS 49 10.869 -3.681 11.894 406 H GLY 50 H GLY 50 5.367 1.253 9.554 407 HA2 GLY 50 1HA GLY 50 3.408 -0.677 8.968 408 HA3 GLY 50 2HA GLY 50 3.845 -0.900 10.669 409 H GLU 51 H GLU 51 3.656 2.256 8.861 410 HA GLU 51 HA GLU 51 2.061 3.277 11.105 411 HB2 GLU 51 1HB GLU 51 4.079 4.291 9.465 412 HB3 GLU 51 2HB GLU 51 2.672 5.099 8.840 413 HG2 GLU 51 1HG GLU 51 3.770 6.442 10.520 414 HG3 GLU 51 2HG GLU 51 2.193 5.974 11.120 415 H VAL 52 H VAL 52 -0.145 3.210 11.066 416 HA VAL 52 HA VAL 52 -1.655 2.323 8.907 417 HB VAL 52 HB VAL 52 -2.491 1.388 10.567 418 HG11 VAL 52 1HG1 VAL 52 -0.982 2.071 12.262 419 HG12 VAL 52 2HG1 VAL 52 -1.874 3.612 12.469 420 HG13 VAL 52 3HG1 VAL 52 -2.623 2.045 12.876 421 HG21 VAL 52 3HG2 VAL 52 -4.501 2.299 11.663 422 HG22 VAL 52 1HG2 VAL 52 -4.035 3.933 11.171 423 HG23 VAL 52 2HG2 VAL 52 -4.478 2.739 9.948 424 H VAL 53 H VAL 53 -0.444 4.746 8.115 425 HA VAL 53 HA VAL 53 -2.185 6.998 8.388 426 HB VAL 53 HB VAL 53 -0.510 8.026 6.824 427 HG11 VAL 53 1HG1 VAL 53 -0.182 7.821 9.288 428 HG12 VAL 53 2HG1 VAL 53 0.802 6.389 9.004 429 HG13 VAL 53 3HG1 VAL 53 1.310 7.959 8.337 430 HG21 VAL 53 3HG2 VAL 53 1.308 5.674 6.855 431 HG22 VAL 53 1HG2 VAL 53 -0.097 5.453 5.822 432 HG23 VAL 53 2HG2 VAL 53 0.954 6.839 5.552 433 H ALA 54 H ALA 54 -3.359 4.552 6.788 434 HA ALA 54 HA ALA 54 -4.656 6.214 4.796 435 HB1 ALA 54 1HB ALA 54 -2.659 5.730 3.533 436 HB2 ALA 54 2HB ALA 54 -2.809 3.990 3.869 437 HB3 ALA 54 3HB ALA 54 -4.005 4.814 2.825 438 H SER 55 H SER 55 -5.673 5.017 6.965 439 HA SER 55 HA SER 55 -6.739 2.434 6.890 440 HB2 SER 55 1HB SER 55 -7.788 5.096 7.853 441 HB3 SER 55 2HB SER 55 -8.591 3.624 8.242 442 HG SER 55 HG SER 55 -6.111 4.697 9.046 443 H ILE 56 H ILE 56 -8.630 1.507 6.047 444 HA ILE 56 HA ILE 56 -10.001 3.040 3.894 445 HB ILE 56 HB ILE 56 -9.465 0.073 3.738 446 HG12 ILE 56 1HG1 ILE 56 -7.658 2.105 2.502 447 HG13 ILE 56 2HG1 ILE 56 -7.238 1.132 3.913 448 HG21 ILE 56 1HG2 ILE 56 -11.225 1.370 2.346 449 HG22 ILE 56 2HG2 ILE 56 -9.832 2.177 1.609 450 HG23 ILE 56 3HG2 ILE 56 -10.065 0.426 1.408 451 HD11 ILE 56 3HD1 ILE 56 -6.319 0.056 1.930 452 HD12 ILE 56 1HD1 ILE 56 -7.607 -0.946 2.618 453 HD13 ILE 56 2HD1 ILE 56 -7.893 0.050 1.157 454 H GLU 57 H GLU 57 -12.076 3.331 4.535 455 HA GLU 57 HA GLU 57 -13.295 1.301 6.334 456 HB2 GLU 57 1HB GLU 57 -13.711 4.281 5.992 457 HB3 GLU 57 2HB GLU 57 -15.099 3.242 6.368 458 HG2 GLU 57 1HG GLU 57 -14.239 3.947 8.431 459 HG3 GLU 57 2HG GLU 57 -13.845 2.241 8.276 460 H SER 58 H SER 58 -14.860 0.114 5.405 461 HA SER 58 HA SER 58 -15.635 0.758 2.590 462 HB2 SER 58 1HB SER 58 -16.007 -1.589 2.219 463 HB3 SER 58 2HB SER 58 -14.383 -1.371 2.868 464 HG SER 58 HG SER 58 -15.635 -3.081 3.815 465 H VAL 59 H VAL 59 -17.869 -0.712 2.288 466 HA VAL 59 HA VAL 59 -19.928 0.913 3.133 467 HB VAL 59 HB VAL 59 -21.310 -1.084 2.397 468 HG11 VAL 59 1HG1 VAL 59 -20.445 -1.028 0.023 469 HG12 VAL 59 2HG1 VAL 59 -20.784 0.531 0.770 470 HG13 VAL 59 3HG1 VAL 59 -19.116 -0.019 0.597 471 HG21 VAL 59 3HG2 VAL 59 -18.593 -2.411 2.016 472 HG22 VAL 59 1HG2 VAL 59 -19.879 -2.948 3.061 473 HG23 VAL 59 2HG2 VAL 59 -20.109 -2.983 1.314 474 H LYS 60 H LYS 60 -18.387 -1.730 4.909 475 HA LYS 60 HA LYS 60 -19.758 -0.835 7.231 476 HB2 LYS 60 1HB LYS 60 -20.749 -3.174 7.795 477 HB3 LYS 60 2HB LYS 60 -21.623 -2.110 6.725 478 HG2 LYS 60 1HG LYS 60 -21.054 -3.281 4.788 479 HG3 LYS 60 2HG LYS 60 -19.748 -4.190 5.567 480 HD2 LYS 60 1HD LYS 60 -22.743 -4.541 6.077 481 HD3 LYS 60 2HD LYS 60 -21.744 -5.520 5.011 482 HE2 LYS 60 1HE LYS 60 -21.561 -6.864 6.822 483 HE3 LYS 60 2HE LYS 60 -20.202 -5.784 7.157 484 HZ1 LYS 60 3HZ LYS 60 -22.900 -5.744 8.332 485 HZ2 LYS 60 1HZ LYS 60 -21.450 -5.897 9.104 486 HZ3 LYS 60 2HZ LYS 60 -21.904 -4.455 8.505 487 H ALA 61 H ALA 61 -16.868 -1.544 6.217 488 HA ALA 61 HA ALA 61 -16.022 -2.802 8.742 489 HB1 ALA 61 1HB ALA 61 -15.883 -4.719 7.429 490 HB2 ALA 61 2HB ALA 61 -15.370 -3.839 5.984 491 HB3 ALA 61 3HB ALA 61 -14.254 -4.060 7.334 492 H ALA 62 H ALA 62 -13.445 -2.658 8.690 493 HA ALA 62 HA ALA 62 -12.437 -0.163 7.502 494 HB1 ALA 62 1HB ALA 62 -13.267 0.526 9.710 495 HB2 ALA 62 2HB ALA 62 -12.359 -0.801 10.478 496 HB3 ALA 62 3HB ALA 62 -11.495 0.519 9.668 497 H ALA 63 H ALA 63 -10.311 -0.402 6.921 498 HA ALA 63 HA ALA 63 -8.672 -2.607 8.043 499 HB1 ALA 63 1HB ALA 63 -8.902 -1.990 5.079 500 HB2 ALA 63 2HB ALA 63 -7.844 -3.186 5.841 501 HB3 ALA 63 3HB ALA 63 -9.601 -3.421 5.894 502 H ASP 64 H ASP 64 -7.170 -1.470 9.114 503 HA ASP 64 HA ASP 64 -6.108 1.094 8.508 504 HB2 ASP 64 1HB ASP 64 -4.263 -0.969 9.640 505 HB3 ASP 64 2HB ASP 64 -4.633 0.579 10.238 506 H VAL 65 H VAL 65 -4.290 1.632 7.028 507 HA VAL 65 HA VAL 65 -2.990 -0.653 5.643 508 HB VAL 65 HB VAL 65 -3.477 2.187 4.821 509 HG11 VAL 65 1HG1 VAL 65 -1.116 1.287 4.114 510 HG12 VAL 65 2HG1 VAL 65 -2.022 0.232 3.022 511 HG13 VAL 65 3HG1 VAL 65 -2.131 2.005 2.918 512 HG21 VAL 65 3HG2 VAL 65 -4.748 1.200 3.003 513 HG22 VAL 65 1HG2 VAL 65 -4.271 -0.449 3.514 514 HG23 VAL 65 2HG2 VAL 65 -5.320 0.533 4.535 515 H TYR 66 H TYR 66 -0.911 -0.988 6.261 516 HA TYR 66 HA TYR 66 0.184 0.998 8.160 517 HB2 TYR 66 1HB TYR 66 0.567 -1.992 7.946 518 HB3 TYR 66 2HB TYR 66 1.306 -0.966 9.142 519 HD1 TYR 66 2HD TYR 66 -0.176 0.104 10.903 520 HD2 TYR 66 1HD TYR 66 -1.642 -2.800 8.137 521 HE1 TYR 66 2HE TYR 66 -1.817 -0.689 12.631 522 HE2 TYR 66 1HE TYR 66 -3.272 -3.616 9.773 523 HH TYR 66 HH TYR 66 -3.589 -2.222 13.070 524 H ALA 67 H ALA 67 1.499 2.113 6.928 525 HA ALA 67 HA ALA 67 2.471 1.640 4.531 526 HB1 ALA 67 1HB ALA 67 2.889 3.764 6.024 527 HB2 ALA 67 2HB ALA 67 4.448 2.954 6.406 528 HB3 ALA 67 3HB ALA 67 4.081 3.390 4.744 529 HA PRO 68 HA PRO 68 4.994 -1.812 4.876 530 HB2 PRO 68 1HB PRO 68 6.259 -1.973 2.444 531 HB3 PRO 68 2HB PRO 68 4.492 -2.193 2.667 532 HG2 PRO 68 1HG PRO 68 5.950 0.312 1.810 533 HG3 PRO 68 2HG PRO 68 4.496 -0.421 1.065 534 HD2 PRO 68 1HD PRO 68 4.314 1.633 2.832 535 HD3 PRO 68 2HD PRO 68 3.117 0.302 2.816 536 H LEU 69 H LEU 69 6.723 1.218 4.380 537 HA LEU 69 HA LEU 69 9.152 0.129 5.639 538 HB2 LEU 69 1HB LEU 69 9.172 1.595 2.963 539 HB3 LEU 69 2HB LEU 69 10.555 1.363 3.987 540 HG LEU 69 HG LEU 69 9.415 -1.229 3.654 541 HD11 LEU 69 1HD1 LEU 69 8.203 -0.336 1.711 542 HD12 LEU 69 2HD1 LEU 69 9.733 0.267 1.016 543 HD13 LEU 69 3HD1 LEU 69 9.439 -1.467 1.181 544 HD21 LEU 69 3HD2 LEU 69 11.830 -0.622 3.954 545 HD22 LEU 69 1HD2 LEU 69 11.474 -1.892 2.800 546 HD23 LEU 69 2HD2 LEU 69 11.873 -0.248 2.221 547 H SER 70 H SER 70 10.596 1.975 6.196 548 HA SER 70 HA SER 70 8.998 4.201 7.208 549 HB2 SER 70 1HB SER 70 11.919 3.624 7.808 550 HB3 SER 70 2HB SER 70 10.776 4.585 8.739 551 HG SER 70 HG SER 70 10.893 1.788 8.339 552 H GLY 71 H GLY 71 9.037 6.198 6.282 553 HA2 GLY 71 1HA GLY 71 11.113 7.294 4.676 554 HA3 GLY 71 2HA GLY 71 9.924 6.530 3.615 555 H LYS 72 H LYS 72 9.436 8.794 2.887 556 HA LYS 72 HA LYS 72 7.447 10.031 4.755 557 HB2 LYS 72 1HB LYS 72 9.624 11.280 4.869 558 HB3 LYS 72 2HB LYS 72 9.505 11.526 3.155 559 HG2 LYS 72 1HG LYS 72 7.157 12.633 3.731 560 HG3 LYS 72 2HG LYS 72 7.801 12.693 5.359 561 HD2 LYS 72 1HD LYS 72 9.781 13.762 3.488 562 HD3 LYS 72 2HD LYS 72 8.202 14.493 3.168 563 HE2 LYS 72 1HE LYS 72 8.083 14.871 5.745 564 HE3 LYS 72 2HE LYS 72 9.795 14.448 5.742 565 HZ1 LYS 72 3HZ LYS 72 9.607 16.781 5.570 566 HZ2 LYS 72 1HZ LYS 72 10.092 16.267 4.092 567 HZ3 LYS 72 2HZ LYS 72 8.528 16.733 4.347 568 H ILE 73 H ILE 73 5.593 10.532 3.878 569 HA ILE 73 HA ILE 73 4.825 9.639 1.264 570 HB ILE 73 HB ILE 73 3.395 11.596 3.079 571 HG12 ILE 73 1HG1 ILE 73 3.640 9.823 4.577 572 HG13 ILE 73 2HG1 ILE 73 2.060 9.575 3.882 573 HG21 ILE 73 1HG2 ILE 73 2.301 9.651 0.973 574 HG22 ILE 73 2HG2 ILE 73 1.337 10.731 2.023 575 HG23 ILE 73 3HG2 ILE 73 2.378 11.427 0.831 576 HD11 ILE 73 3HD1 ILE 73 2.938 7.427 3.856 577 HD12 ILE 73 1HD1 ILE 73 3.344 7.973 2.217 578 HD13 ILE 73 2HD1 ILE 73 4.582 7.978 3.486 579 H VAL 74 H VAL 74 4.203 10.937 -0.508 580 HA VAL 74 HA VAL 74 5.160 13.692 -0.717 581 HB VAL 74 HB VAL 74 6.659 11.359 -0.997 582 HG11 VAL 74 1HG1 VAL 74 5.994 10.653 -3.078 583 HG12 VAL 74 2HG1 VAL 74 6.580 12.176 -3.821 584 HG13 VAL 74 3HG1 VAL 74 7.720 11.045 -3.052 585 HG21 VAL 74 3HG2 VAL 74 8.627 12.660 -1.457 586 HG22 VAL 74 1HG2 VAL 74 7.609 13.957 -2.186 587 HG23 VAL 74 2HG2 VAL 74 7.524 13.650 -0.432 588 H GLU 75 H GLU 75 3.362 10.862 -1.800 589 HA GLU 75 HA GLU 75 2.172 12.634 -3.585 590 HB2 GLU 75 1HB GLU 75 3.899 10.563 -4.573 591 HB3 GLU 75 2HB GLU 75 2.230 10.078 -4.918 592 HG2 GLU 75 1HG GLU 75 1.892 12.190 -6.078 593 HG3 GLU 75 2HG GLU 75 3.594 12.615 -5.838 594 H VAL 76 H VAL 76 -0.176 11.837 -3.936 595 HA VAL 76 HA VAL 76 -1.001 9.589 -2.217 596 HB VAL 76 HB VAL 76 -2.732 11.003 -1.159 597 HG11 VAL 76 1HG1 VAL 76 -1.295 12.107 0.461 598 HG12 VAL 76 2HG1 VAL 76 -0.577 10.544 0.015 599 HG13 VAL 76 3HG1 VAL 76 0.079 12.071 -0.636 600 HG21 VAL 76 3HG2 VAL 76 -2.861 12.818 -2.813 601 HG22 VAL 76 1HG2 VAL 76 -2.515 13.465 -1.208 602 HG23 VAL 76 2HG2 VAL 76 -1.211 13.330 -2.415 603 H ASN 77 H ASN 77 -2.857 8.549 -2.999 604 HA ASN 77 HA ASN 77 -3.394 9.232 -5.796 605 HB2 ASN 77 1HB ASN 77 -2.948 6.867 -5.026 606 HB3 ASN 77 2HB ASN 77 -4.472 6.892 -4.186 607 HD21 ASN 77 1HD2 ASN 77 -5.140 5.179 -5.635 608 HD22 ASN 77 2HD2 ASN 77 -5.569 5.425 -7.307 609 H GLU 78 H GLU 78 -4.643 11.097 -5.638 610 HA GLU 78 HA GLU 78 -6.735 11.466 -3.791 611 HB2 GLU 78 1HB GLU 78 -6.808 12.886 -6.424 612 HB3 GLU 78 2HB GLU 78 -7.123 13.457 -4.803 613 HG2 GLU 78 1HG GLU 78 -5.182 14.533 -5.205 614 HG3 GLU 78 2HG GLU 78 -4.528 13.106 -4.428 615 H LYS 79 H LYS 79 -6.624 9.354 -6.335 616 HA LYS 79 HA LYS 79 -9.279 9.484 -7.454 617 HB2 LYS 79 1HB LYS 79 -7.354 7.140 -7.217 618 HB3 LYS 79 2HB LYS 79 -8.773 7.199 -8.251 619 HG2 LYS 79 1HG LYS 79 -7.808 9.004 -9.598 620 HG3 LYS 79 2HG LYS 79 -6.427 9.109 -8.522 621 HD2 LYS 79 1HD LYS 79 -5.447 7.791 -10.115 622 HD3 LYS 79 2HD LYS 79 -6.138 6.521 -9.122 623 HE2 LYS 79 1HE LYS 79 -6.909 5.850 -11.187 624 HE3 LYS 79 2HE LYS 79 -8.264 6.867 -10.671 625 HZ1 LYS 79 3HZ LYS 79 -6.984 8.697 -11.904 626 HZ2 LYS 79 1HZ LYS 79 -6.104 7.468 -12.566 627 HZ3 LYS 79 2HZ LYS 79 -7.738 7.527 -12.810 628 H LEU 80 H LEU 80 -7.797 7.556 -4.543 629 HA LEU 80 HA LEU 80 -10.106 6.043 -4.356 630 HB2 LEU 80 1HB LEU 80 -8.101 6.852 -2.236 631 HB3 LEU 80 2HB LEU 80 -9.143 5.436 -2.285 632 HG LEU 80 HG LEU 80 -6.679 5.931 -4.003 633 HD11 LEU 80 1HD1 LEU 80 -7.487 4.044 -1.896 634 HD12 LEU 80 2HD1 LEU 80 -6.047 3.879 -2.902 635 HD13 LEU 80 3HD1 LEU 80 -6.284 5.379 -1.958 636 HD21 LEU 80 3HD2 LEU 80 -7.158 3.685 -4.988 637 HD22 LEU 80 1HD2 LEU 80 -8.773 3.695 -4.238 638 HD23 LEU 80 2HD2 LEU 80 -8.368 4.864 -5.522 639 H ASP 81 H ASP 81 -9.707 9.359 -3.447 640 HA ASP 81 HA ASP 81 -11.524 9.563 -1.253 641 HB2 ASP 81 1HB ASP 81 -9.888 11.279 -2.064 642 HB3 ASP 81 2HB ASP 81 -10.884 11.527 -3.484 643 H THR 82 H THR 82 -12.004 9.260 -4.774 644 HA THR 82 HA THR 82 -14.951 9.289 -4.299 645 HB THR 82 HB THR 82 -15.382 10.630 -6.167 646 HG1 THR 82 1HG THR 82 -13.068 9.996 -7.166 647 HG21 THR 82 3HG2 THR 82 -14.494 12.770 -5.551 648 HG22 THR 82 1HG2 THR 82 -14.843 11.845 -4.072 649 HG23 THR 82 2HG2 THR 82 -13.162 12.038 -4.626 650 H GLU 83 H GLU 83 -12.357 7.580 -5.724 651 HA GLU 83 HA GLU 83 -14.408 5.607 -6.484 652 HB2 GLU 83 1HB GLU 83 -11.942 6.326 -8.006 653 HB3 GLU 83 2HB GLU 83 -12.793 4.793 -8.264 654 HG2 GLU 83 1HG GLU 83 -13.860 7.591 -8.830 655 HG3 GLU 83 2HG GLU 83 -13.468 6.337 -9.997 656 HA PRO 84 HA PRO 84 -11.424 4.061 -3.276 657 HB2 PRO 84 1HB PRO 84 -13.589 3.198 -1.654 658 HB3 PRO 84 2HB PRO 84 -12.563 4.622 -1.382 659 HG2 PRO 84 1HG PRO 84 -15.339 4.509 -2.320 660 HG3 PRO 84 2HG PRO 84 -14.391 5.904 -1.706 661 HD2 PRO 84 1HD PRO 84 -15.072 5.295 -4.406 662 HD3 PRO 84 2HD PRO 84 -13.987 6.603 -3.836 663 H GLU 85 H GLU 85 -14.059 3.111 -5.328 664 HA GLU 85 HA GLU 85 -13.870 0.277 -4.935 665 HB2 GLU 85 1HB GLU 85 -15.783 1.489 -6.047 666 HB3 GLU 85 2HB GLU 85 -14.756 1.844 -7.417 667 HG2 GLU 85 1HG GLU 85 -14.826 -1.030 -6.660 668 HG3 GLU 85 2HG GLU 85 -16.406 -0.384 -7.051 669 H LEU 86 H LEU 86 -11.748 2.612 -6.557 670 HA LEU 86 HA LEU 86 -11.002 0.794 -8.628 671 HB2 LEU 86 1HB LEU 86 -9.967 3.419 -7.616 672 HB3 LEU 86 2HB LEU 86 -8.729 2.365 -8.256 673 HG LEU 86 HG LEU 86 -11.112 3.525 -9.736 674 HD11 LEU 86 1HD1 LEU 86 -8.132 3.371 -10.239 675 HD12 LEU 86 2HD1 LEU 86 -9.297 4.250 -11.253 676 HD13 LEU 86 3HD1 LEU 86 -8.980 4.787 -9.582 677 HD21 LEU 86 3HD2 LEU 86 -11.255 1.333 -10.561 678 HD22 LEU 86 1HD2 LEU 86 -10.090 2.077 -11.700 679 HD23 LEU 86 2HD2 LEU 86 -9.513 1.040 -10.380 680 H ILE 87 H ILE 87 -10.208 0.703 -5.337 681 HA ILE 87 HA ILE 87 -7.827 -0.888 -5.637 682 HB ILE 87 HB ILE 87 -9.860 -0.806 -3.362 683 HG12 ILE 87 1HG1 ILE 87 -7.500 0.928 -4.136 684 HG13 ILE 87 2HG1 ILE 87 -9.062 1.384 -3.478 685 HG21 ILE 87 1HG2 ILE 87 -6.982 -1.802 -3.442 686 HG22 ILE 87 2HG2 ILE 87 -8.124 -1.781 -2.059 687 HG23 ILE 87 3HG2 ILE 87 -8.416 -2.851 -3.382 688 HD11 ILE 87 3HD1 ILE 87 -7.480 1.852 -1.783 689 HD12 ILE 87 1HD1 ILE 87 -8.244 0.356 -1.246 690 HD13 ILE 87 2HD1 ILE 87 -6.634 0.320 -2.010 691 H ASN 88 H ASN 88 -11.313 -1.608 -6.085 692 HA ASN 88 HA ASN 88 -10.940 -4.490 -6.032 693 HB2 ASN 88 1HB ASN 88 -13.087 -2.671 -7.147 694 HB3 ASN 88 2HB ASN 88 -13.088 -4.416 -7.391 695 HD21 ASN 88 1HD2 ASN 88 -13.158 -2.081 -4.723 696 HD22 ASN 88 2HD2 ASN 88 -13.909 -3.200 -3.566 697 H LYS 89 H LYS 89 -11.441 -1.985 -8.444 698 HA LYS 89 HA LYS 89 -11.275 -3.502 -10.753 699 HB2 LYS 89 1HB LYS 89 -11.508 -0.749 -9.947 700 HB3 LYS 89 2HB LYS 89 -10.391 -0.803 -11.280 701 HG2 LYS 89 1HG LYS 89 -13.019 -2.335 -11.336 702 HG3 LYS 89 2HG LYS 89 -13.001 -0.613 -11.653 703 HD2 LYS 89 1HD LYS 89 -11.851 -0.783 -13.653 704 HD3 LYS 89 2HD LYS 89 -11.077 -2.308 -13.222 705 HE2 LYS 89 1HE LYS 89 -12.934 -2.316 -15.039 706 HE3 LYS 89 2HE LYS 89 -12.855 -3.604 -13.838 707 HZ1 LYS 89 3HZ LYS 89 -14.739 -1.317 -13.688 708 HZ2 LYS 89 1HZ LYS 89 -15.093 -2.848 -14.144 709 HZ3 LYS 89 2HZ LYS 89 -14.623 -2.549 -12.620 710 H ASP 90 H ASP 90 -8.603 -1.736 -9.137 711 HA ASP 90 HA ASP 90 -6.621 -3.500 -10.370 712 HB2 ASP 90 1HB ASP 90 -7.143 -0.757 -11.395 713 HB3 ASP 90 2HB ASP 90 -5.459 -1.066 -10.995 714 HA PRO 91 HA PRO 91 -6.064 -2.030 -5.989 715 HB2 PRO 91 1HB PRO 91 -4.734 -4.549 -5.403 716 HB3 PRO 91 2HB PRO 91 -6.269 -3.919 -4.750 717 HG2 PRO 91 1HG PRO 91 -5.828 -5.990 -6.755 718 HG3 PRO 91 2HG PRO 91 -7.360 -5.487 -5.999 719 HD2 PRO 91 1HD PRO 91 -6.462 -4.967 -8.668 720 HD3 PRO 91 2HD PRO 91 -7.905 -4.287 -7.894 721 H GLU 92 H GLU 92 -3.951 -3.640 -8.313 722 HA GLU 92 HA GLU 92 -1.550 -2.686 -6.972 723 HB2 GLU 92 1HB GLU 92 -1.580 -4.523 -9.281 724 HB3 GLU 92 2HB GLU 92 -0.400 -4.347 -7.986 725 HG2 GLU 92 1HG GLU 92 -1.298 -6.312 -7.361 726 HG3 GLU 92 2HG GLU 92 -2.309 -5.251 -6.401 727 H GLY 93 H GLY 93 -3.486 -1.256 -9.149 728 HA2 GLY 93 1HA GLY 93 -1.240 -0.190 -10.848 729 HA3 GLY 93 2HA GLY 93 -2.839 -0.592 -11.477 730 H GLU 94 H GLU 94 -4.641 0.770 -10.960 731 HA GLU 94 HA GLU 94 -3.868 3.521 -10.220 732 HB2 GLU 94 1HB GLU 94 -6.216 2.264 -11.644 733 HB3 GLU 94 2HB GLU 94 -6.250 3.944 -11.110 734 HG2 GLU 94 1HG GLU 94 -3.975 2.924 -12.829 735 HG3 GLU 94 2HG GLU 94 -5.491 3.484 -13.529 736 H GLY 95 H GLY 95 -5.212 0.790 -8.595 737 HA2 GLY 95 1HA GLY 95 -6.644 2.409 -6.622 738 HA3 GLY 95 2HA GLY 95 -6.526 0.669 -6.692 739 H TRP 96 H TRP 96 -3.653 2.742 -7.008 740 HA TRP 96 HA TRP 96 -2.375 1.719 -4.599 741 HB2 TRP 96 1HB TRP 96 -0.689 3.394 -4.994 742 HB3 TRP 96 2HB TRP 96 -0.985 2.458 -6.448 743 HD1 TRP 96 HD TRP 96 -2.614 3.798 -8.307 744 HE1 TRP 96 1HE TRP 96 -2.569 6.241 -9.044 745 HE3 TRP 96 3HE TRP 96 -0.122 5.820 -4.332 746 HZ2 TRP 96 2HZ TRP 96 -1.558 8.745 -8.074 747 HZ3 TRP 96 3HZ TRP 96 0.253 8.341 -4.238 748 HH2 TRP 96 HH TRP 96 -0.378 9.729 -6.147 749 H LEU 97 H LEU 97 -1.829 3.237 -2.737 750 HA LEU 97 HA LEU 97 -4.174 5.040 -2.245 751 HB2 LEU 97 1HB LEU 97 -2.404 3.935 -0.074 752 HB3 LEU 97 2HB LEU 97 -3.944 4.806 0.026 753 HG LEU 97 HG LEU 97 -4.398 2.380 -1.476 754 HD11 LEU 97 1HD1 LEU 97 -2.248 1.696 -0.048 755 HD12 LEU 97 2HD1 LEU 97 -3.368 1.721 1.282 756 HD13 LEU 97 3HD1 LEU 97 -3.699 0.645 -0.048 757 HD21 LEU 97 3HD2 LEU 97 -6.079 3.504 -0.023 758 HD22 LEU 97 1HD2 LEU 97 -5.908 1.812 0.418 759 HD23 LEU 97 2HD2 LEU 97 -5.178 3.059 1.443 760 H PHE 98 H PHE 98 -0.599 4.744 -1.612 761 HA PHE 98 HA PHE 98 -0.403 7.588 -2.186 762 HB2 PHE 98 1HB PHE 98 0.667 8.183 -0.076 763 HB3 PHE 98 2HB PHE 98 -0.985 7.681 0.177 764 HD1 PHE 98 2HD PHE 98 2.578 6.618 0.521 765 HD2 PHE 98 1HD PHE 98 -1.514 5.778 1.578 766 HE1 PHE 98 2HE PHE 98 3.355 5.122 2.344 767 HE2 PHE 98 1HE PHE 98 -0.689 4.290 3.440 768 HZ PHE 98 HZ PHE 98 1.701 3.960 3.791 769 H LYS 99 H LYS 99 1.951 8.285 -2.011 770 HA LYS 99 HA LYS 99 3.806 6.041 -2.535 771 HB2 LYS 99 1HB LYS 99 3.455 8.532 -4.194 772 HB3 LYS 99 2HB LYS 99 4.910 7.613 -4.225 773 HG2 LYS 99 1HG LYS 99 4.020 5.860 -5.310 774 HG3 LYS 99 2HG LYS 99 2.367 6.140 -4.738 775 HD2 LYS 99 1HD LYS 99 2.273 6.555 -7.020 776 HD3 LYS 99 2HD LYS 99 2.353 8.175 -6.307 777 HE2 LYS 99 1HE LYS 99 4.837 8.163 -6.737 778 HE3 LYS 99 2HE LYS 99 4.652 6.574 -7.527 779 HZ1 LYS 99 3HZ LYS 99 4.630 8.167 -9.201 780 HZ2 LYS 99 1HZ LYS 99 3.038 7.794 -9.027 781 HZ3 LYS 99 2HZ LYS 99 3.629 9.194 -8.375 782 H MET 100 H MET 100 5.916 6.510 -1.963 783 HA MET 100 HA MET 100 6.364 8.922 -0.314 784 HB2 MET 100 1HB MET 100 7.360 7.192 1.376 785 HB3 MET 100 2HB MET 100 5.649 7.553 1.418 786 HG2 MET 100 1HG MET 100 5.042 5.518 0.343 787 HG3 MET 100 2HG MET 100 6.670 5.102 -0.053 788 HE1 MET 100 3HE MET 100 8.329 3.804 2.850 789 HE2 MET 100 1HE MET 100 8.449 5.346 1.987 790 HE3 MET 100 2HE MET 100 7.939 5.302 3.692 791 H GLU 101 H GLU 101 8.460 9.419 -0.073 792 HA GLU 101 HA GLU 101 10.498 8.309 -1.848 793 HB2 GLU 101 1HB GLU 101 10.419 10.704 -1.042 794 HB3 GLU 101 2HB GLU 101 10.652 10.127 0.609 795 HG2 GLU 101 1HG GLU 101 12.810 8.956 -0.378 796 HG3 GLU 101 2HG GLU 101 12.573 10.049 -1.749 797 H ILE 102 H ILE 102 11.700 6.552 -1.320 798 HA ILE 102 HA ILE 102 11.336 5.186 1.274 799 HB ILE 102 HB ILE 102 12.999 3.556 0.168 800 HG12 ILE 102 1HG1 ILE 102 11.980 4.707 -2.447 801 HG13 ILE 102 2HG1 ILE 102 13.484 5.346 -1.757 802 HG21 ILE 102 1HG2 ILE 102 11.165 2.449 -1.088 803 HG22 ILE 102 2HG2 ILE 102 10.619 3.073 0.478 804 HG23 ILE 102 3HG2 ILE 102 10.217 3.955 -1.019 805 HD11 ILE 102 3HD1 ILE 102 13.756 3.554 -3.482 806 HD12 ILE 102 1HD1 ILE 102 14.627 3.384 -1.953 807 HD13 ILE 102 2HD1 ILE 102 13.159 2.408 -2.258 808 H SER 103 H SER 103 12.832 5.177 2.829 809 HA SER 103 HA SER 103 15.414 6.638 2.451 810 HB2 SER 103 1HB SER 103 13.463 6.427 4.697 811 HB3 SER 103 2HB SER 103 15.146 6.152 5.160 812 HG SER 103 HG SER 103 15.728 8.050 4.482 813 H ASP 104 H ASP 104 13.858 3.552 2.998 814 HA ASP 104 HA ASP 104 16.471 2.267 3.279 815 HB2 ASP 104 1HB ASP 104 15.482 0.771 5.043 816 HB3 ASP 104 2HB ASP 104 15.938 2.393 5.507 817 H GLU 105 H GLU 105 15.841 2.220 1.006 818 HA GLU 105 HA GLU 105 14.385 0.044 -0.077 819 HB2 GLU 105 1HB GLU 105 15.111 1.273 -1.789 820 HB3 GLU 105 2HB GLU 105 16.363 2.046 -0.831 821 HG2 GLU 105 1HG GLU 105 17.861 0.109 -1.278 822 HG3 GLU 105 2HG GLU 105 16.622 -0.551 -2.371 823 H GLY 106 H GLY 106 16.521 -0.186 2.330 824 HA2 GLY 106 1HA GLY 106 17.958 -2.648 1.466 825 HA3 GLY 106 2HA GLY 106 18.378 -1.651 2.864 826 H GLU 107 H GLU 107 15.318 -1.419 3.574 827 HA GLU 107 HA GLU 107 15.238 -3.920 5.100 828 HB2 GLU 107 1HB GLU 107 14.012 -1.296 5.445 829 HB3 GLU 107 2HB GLU 107 12.751 -2.496 5.288 830 HG2 GLU 107 1HG GLU 107 14.302 -3.869 7.018 831 HG3 GLU 107 2HG GLU 107 14.867 -2.248 7.408 832 H LEU 108 H LEU 108 14.444 -3.063 1.969 833 HA LEU 108 HA LEU 108 12.047 -4.486 1.444 834 HB2 LEU 108 1HB LEU 108 14.537 -4.326 -0.297 835 HB3 LEU 108 2HB LEU 108 12.922 -4.792 -0.821 836 HG LEU 108 HG LEU 108 13.720 -2.073 0.131 837 HD11 LEU 108 1HD1 LEU 108 13.273 -1.398 -2.213 838 HD12 LEU 108 2HD1 LEU 108 14.517 -2.655 -2.148 839 HD13 LEU 108 3HD1 LEU 108 12.850 -3.082 -2.613 840 HD21 LEU 108 3HD2 LEU 108 11.418 -2.534 0.760 841 HD22 LEU 108 1HD2 LEU 108 11.522 -1.299 -0.482 842 HD23 LEU 108 2HD2 LEU 108 11.023 -2.970 -0.914 843 H GLU 109 H GLU 109 15.146 -5.674 2.454 844 HA GLU 109 HA GLU 109 14.883 -8.369 1.477 845 HB2 GLU 109 1HB GLU 109 16.571 -6.955 3.576 846 HB3 GLU 109 2HB GLU 109 16.802 -8.661 3.174 847 HG2 GLU 109 1HG GLU 109 16.826 -6.609 0.929 848 HG3 GLU 109 2HG GLU 109 18.208 -6.768 1.985 849 H ASP 110 H ASP 110 13.518 -6.693 4.216 850 HA ASP 110 HA ASP 110 12.912 -9.126 5.791 851 HB2 ASP 110 1HB ASP 110 13.443 -6.855 6.797 852 HB3 ASP 110 2HB ASP 110 11.970 -6.236 6.077 853 H LEU 111 H LEU 111 11.685 -7.204 3.191 854 HA LEU 111 HA LEU 111 8.866 -7.868 3.705 855 HB2 LEU 111 1HB LEU 111 10.047 -6.460 1.314 856 HB3 LEU 111 2HB LEU 111 8.398 -6.471 1.818 857 HG LEU 111 HG LEU 111 10.660 -4.883 2.990 858 HD11 LEU 111 1HD1 LEU 111 9.282 -3.964 1.186 859 HD12 LEU 111 2HD1 LEU 111 7.809 -4.237 2.154 860 HD13 LEU 111 3HD1 LEU 111 9.035 -3.095 2.705 861 HD21 LEU 111 3HD2 LEU 111 9.048 -4.144 4.824 862 HD22 LEU 111 1HD2 LEU 111 8.162 -5.660 4.513 863 HD23 LEU 111 2HD2 LEU 111 9.839 -5.701 5.042 864 H LEU 112 H LEU 112 7.591 -8.968 2.027 865 HA LEU 112 HA LEU 112 8.964 -11.343 1.187 866 HB2 LEU 112 1HB LEU 112 6.154 -10.455 0.436 867 HB3 LEU 112 2HB LEU 112 6.831 -12.070 0.468 868 HG LEU 112 HG LEU 112 5.466 -12.004 2.278 869 HD11 LEU 112 1HD1 LEU 112 7.772 -12.806 2.907 870 HD12 LEU 112 2HD1 LEU 112 8.035 -11.220 3.676 871 HD13 LEU 112 3HD1 LEU 112 6.749 -12.277 4.277 872 HD21 LEU 112 3HD2 LEU 112 6.299 -9.361 3.160 873 HD22 LEU 112 1HD2 LEU 112 4.800 -9.858 2.254 874 HD23 LEU 112 2HD2 LEU 112 5.108 -10.430 3.908 875 H ASP 113 H ASP 113 9.796 -11.738 -0.771 876 HA ASP 113 HA ASP 113 9.360 -10.039 -3.095 877 HB2 ASP 113 1HB ASP 113 11.021 -12.173 -2.573 878 HB3 ASP 113 2HB ASP 113 9.868 -12.920 -3.648 879 H GLU 114 H GLU 114 8.537 -11.396 -4.947 880 HA GLU 114 HA GLU 114 5.666 -11.042 -4.606 881 HB2 GLU 114 1HB GLU 114 7.015 -10.303 -6.570 882 HB3 GLU 114 2HB GLU 114 7.221 -11.995 -7.044 883 HG2 GLU 114 1HG GLU 114 4.954 -12.243 -7.606 884 HG3 GLU 114 2HG GLU 114 4.416 -10.877 -6.616 885 H GLN 115 H GLN 115 7.708 -13.955 -5.274 886 HA GLN 115 HA GLN 115 5.529 -15.741 -5.360 887 HB2 GLN 115 1HB GLN 115 7.622 -16.381 -6.317 888 HB3 GLN 115 2HB GLN 115 8.554 -15.840 -4.920 889 HG2 GLN 115 1HG GLN 115 7.818 -17.665 -3.581 890 HG3 GLN 115 2HG GLN 115 6.652 -18.182 -4.815 891 HE21 GLN 115 1HE2 GLN 115 10.111 -18.014 -3.976 892 HE22 GLN 115 2HE2 GLN 115 10.634 -19.144 -5.225 893 H ALA 116 H ALA 116 7.815 -14.599 -2.903 894 HA ALA 116 HA ALA 116 7.120 -16.199 -0.681 895 HB1 ALA 116 1HB ALA 116 8.315 -13.404 -0.878 896 HB2 ALA 116 2HB ALA 116 8.277 -14.363 0.598 897 HB3 ALA 116 3HB ALA 116 9.209 -14.930 -0.804 898 H TYR 117 H TYR 117 5.802 -13.062 -1.814 899 HA TYR 117 HA TYR 117 4.094 -12.499 0.318 900 HB2 TYR 117 1HB TYR 117 4.580 -10.915 -1.351 901 HB3 TYR 117 2HB TYR 117 4.154 -11.985 -2.645 902 HD1 TYR 117 2HD TYR 117 2.291 -10.604 0.369 903 HD2 TYR 117 1HD TYR 117 2.359 -11.466 -3.867 904 HE1 TYR 117 2HE TYR 117 -0.058 -9.901 0.211 905 HE2 TYR 117 1HE TYR 117 0.044 -10.807 -4.073 906 HH TYR 117 HH TYR 117 -1.944 -9.943 -1.162 907 H GLN 118 H GLN 118 3.523 -14.745 -2.414 908 HA GLN 118 HA GLN 118 0.739 -15.254 -1.598 909 HB2 GLN 118 1HB GLN 118 2.231 -17.249 -3.235 910 HB3 GLN 118 2HB GLN 118 0.569 -16.716 -3.365 911 HG2 GLN 118 1HG GLN 118 3.000 -15.149 -4.253 912 HG3 GLN 118 2HG GLN 118 2.029 -16.162 -5.301 913 HE21 GLN 118 1HE2 GLN 118 0.116 -14.223 -2.944 914 HE22 GLN 118 2HE2 GLN 118 -0.459 -13.170 -4.196 915 H GLU 119 H GLU 119 3.884 -16.929 -1.369 916 HA GLU 119 HA GLU 119 3.238 -19.171 0.069 917 HB2 GLU 119 1HB GLU 119 5.508 -18.293 -0.874 918 HB3 GLU 119 2HB GLU 119 5.646 -17.410 0.639 919 HG2 GLU 119 1HG GLU 119 5.204 -19.704 1.769 920 HG3 GLU 119 2HG GLU 119 5.563 -20.354 0.171 921 H PHE 120 H PHE 120 3.861 -15.890 1.482 922 HA PHE 120 HA PHE 120 3.431 -16.653 4.158 923 HB2 PHE 120 1HB PHE 120 4.468 -14.571 3.276 924 HB3 PHE 120 2HB PHE 120 2.873 -14.004 2.807 925 HD1 PHE 120 2HD PHE 120 2.828 -15.842 6.020 926 HD2 PHE 120 1HD PHE 120 3.721 -12.051 4.173 927 HE1 PHE 120 2HE PHE 120 2.577 -14.796 8.143 928 HE2 PHE 120 1HE PHE 120 3.699 -11.009 6.377 929 HZ PHE 120 HZ PHE 120 2.971 -12.347 8.415 930 H CYS 121 H CYS 121 1.009 -15.626 1.667 931 HA CYS 121 HA CYS 121 -1.093 -15.351 3.607 932 HB2 CYS 121 1HB CYS 121 -0.889 -14.300 1.339 933 HB3 CYS 121 2HB CYS 121 -1.431 -15.846 0.635 934 HG CYS 121 HG CYS 121 -2.916 -14.160 3.103 935 H ALA 122 H ALA 122 0.320 -18.204 2.242 936 HA ALA 122 HA ALA 122 -2.020 -19.932 2.729 937 HB1 ALA 122 1HB ALA 122 -0.333 -20.468 0.962 938 HB2 ALA 122 2HB ALA 122 0.902 -20.649 2.240 939 HB3 ALA 122 3HB ALA 122 -0.491 -21.748 2.184 940 H GLN 123 H GLN 123 0.669 -18.603 4.596 941 HA GLN 123 HA GLN 123 -0.019 -20.342 6.885 942 HB2 GLN 123 1HB GLN 123 2.241 -20.222 7.543 943 HB3 GLN 123 2HB GLN 123 2.152 -20.887 5.927 944 HG2 GLN 123 1HG GLN 123 3.382 -19.185 5.032 945 HG3 GLN 123 2HG GLN 123 2.488 -17.964 5.917 946 HE21 GLN 123 1HE2 GLN 123 2.861 -17.981 8.376 947 HE22 GLN 123 2HE2 GLN 123 4.552 -18.024 8.881 948 H GLU 124 H GLU 124 -1.288 -17.833 6.075 949 HA GLU 124 HA GLU 124 -0.465 -15.868 8.098 950 HB2 GLU 124 1HB GLU 124 -0.894 -15.298 5.740 951 HB3 GLU 124 2HB GLU 124 -2.584 -15.771 5.903 952 HG2 GLU 124 1HG GLU 124 -3.005 -13.877 7.361 953 HG3 GLU 124 2HG GLU 124 -1.272 -13.599 7.584 Start of MODEL 18 1 H1 MET 1 H MET 1 15.577 -1.096 -7.854 2 HA MET 1 HA MET 1 14.376 0.724 -8.836 3 HB2 MET 1 1HB MET 1 14.624 1.201 -11.263 4 HB3 MET 1 2HB MET 1 15.979 1.670 -10.263 5 HG2 MET 1 1HG MET 1 17.253 -0.318 -11.067 6 HG3 MET 1 2HG MET 1 15.874 -0.768 -12.082 7 HE1 MET 1 3HE MET 1 18.486 0.679 -14.772 8 HE2 MET 1 1HE MET 1 19.035 -0.091 -13.275 9 HE3 MET 1 2HE MET 1 17.682 -0.790 -14.194 10 H LYS 2 H LYS 2 12.476 0.513 -10.040 11 HA LYS 2 HA LYS 2 10.604 -0.508 -10.688 12 HB2 LYS 2 1HB LYS 2 12.185 -0.311 -12.676 13 HB3 LYS 2 2HB LYS 2 12.416 -2.058 -12.574 14 HG2 LYS 2 1HG LYS 2 10.189 -2.492 -13.242 15 HG3 LYS 2 2HG LYS 2 9.633 -0.959 -12.597 16 HD2 LYS 2 1HD LYS 2 11.065 0.084 -14.567 17 HD3 LYS 2 2HD LYS 2 10.823 -1.538 -15.265 18 HE2 LYS 2 1HE LYS 2 8.366 -1.277 -14.899 19 HE3 LYS 2 2HE LYS 2 8.649 0.358 -14.273 20 HZ1 LYS 2 3HZ LYS 2 8.016 0.341 -16.613 21 HZ2 LYS 2 1HZ LYS 2 9.494 0.995 -16.432 22 HZ3 LYS 2 2HZ LYS 2 9.342 -0.566 -16.984 23 H MET 3 H MET 3 10.989 -1.563 -8.365 24 HA MET 3 HA MET 3 10.780 -4.547 -8.563 25 HB2 MET 3 1HB MET 3 13.044 -3.769 -8.059 26 HB3 MET 3 2HB MET 3 12.425 -2.791 -6.713 27 HG2 MET 3 1HG MET 3 11.586 -4.877 -5.681 28 HG3 MET 3 2HG MET 3 12.501 -5.801 -6.894 29 HE1 MET 3 3HE MET 3 15.132 -4.059 -7.181 30 HE2 MET 3 1HE MET 3 16.181 -4.858 -5.995 31 HE3 MET 3 2HE MET 3 15.115 -5.843 -7.013 32 H LYS 4 H LYS 4 9.266 -5.482 -7.264 33 HA LYS 4 HA LYS 4 7.681 -3.726 -5.434 34 HB2 LYS 4 1HB LYS 4 6.332 -3.789 -7.171 35 HB3 LYS 4 2HB LYS 4 6.863 -5.343 -7.769 36 HG2 LYS 4 1HG LYS 4 5.373 -6.539 -6.426 37 HG3 LYS 4 2HG LYS 4 5.172 -5.238 -5.262 38 HD2 LYS 4 1HD LYS 4 3.204 -5.649 -6.745 39 HD3 LYS 4 2HD LYS 4 3.771 -3.981 -6.752 40 HE2 LYS 4 1HE LYS 4 4.911 -5.824 -8.839 41 HE3 LYS 4 2HE LYS 4 3.204 -5.408 -8.988 42 HZ1 LYS 4 3HZ LYS 4 5.338 -3.359 -8.794 43 HZ2 LYS 4 1HZ LYS 4 4.662 -3.909 -10.184 44 HZ3 LYS 4 2HZ LYS 4 3.710 -3.139 -9.091 45 H LYS 5 H LYS 5 8.598 -4.376 -3.526 46 HA LYS 5 HA LYS 5 8.304 -7.128 -2.652 47 HB2 LYS 5 1HB LYS 5 8.916 -4.589 -1.119 48 HB3 LYS 5 2HB LYS 5 8.830 -6.176 -0.365 49 HG2 LYS 5 1HG LYS 5 11.108 -5.697 -0.700 50 HG3 LYS 5 2HG LYS 5 10.642 -7.045 -1.719 51 HD2 LYS 5 1HD LYS 5 12.240 -5.502 -2.783 52 HD3 LYS 5 2HD LYS 5 10.769 -5.679 -3.715 53 HE2 LYS 5 1HE LYS 5 9.905 -3.510 -2.699 54 HE3 LYS 5 2HE LYS 5 11.435 -3.375 -1.838 55 HZ1 LYS 5 3HZ LYS 5 11.758 -2.091 -3.708 56 HZ2 LYS 5 1HZ LYS 5 12.468 -3.483 -4.150 57 HZ3 LYS 5 2HZ LYS 5 10.973 -3.103 -4.737 58 H TYR 6 H TYR 6 6.994 -7.301 -0.367 59 HA TYR 6 HA TYR 6 4.318 -6.041 -0.646 60 HB2 TYR 6 1HB TYR 6 4.841 -8.992 -0.224 61 HB3 TYR 6 2HB TYR 6 3.276 -8.230 -0.377 62 HD1 TYR 6 2HD TYR 6 6.348 -9.230 -2.219 63 HD2 TYR 6 1HD TYR 6 2.279 -7.823 -2.537 64 HE1 TYR 6 2HE TYR 6 6.386 -9.702 -4.629 65 HE2 TYR 6 1HE TYR 6 2.281 -8.366 -4.960 66 HH TYR 6 HH TYR 6 5.259 -9.364 -6.646 67 H THR 7 H THR 7 2.910 -6.925 1.461 68 HA THR 7 HA THR 7 4.717 -7.281 3.733 69 HB THR 7 HB THR 7 3.700 -5.514 5.005 70 HG1 THR 7 1HG THR 7 1.881 -4.337 4.095 71 HG21 THR 7 3HG2 THR 7 3.884 -4.305 2.206 72 HG22 THR 7 1HG2 THR 7 3.801 -3.434 3.736 73 HG23 THR 7 2HG2 THR 7 5.215 -4.455 3.380 74 H LYS 8 H LYS 8 3.310 -7.435 5.693 75 HA LYS 8 HA LYS 8 1.766 -9.915 5.392 76 HB2 LYS 8 1HB LYS 8 2.636 -8.422 7.908 77 HB3 LYS 8 2HB LYS 8 1.604 -9.819 7.913 78 HG2 LYS 8 1HG LYS 8 3.402 -11.090 8.053 79 HG3 LYS 8 2HG LYS 8 3.782 -10.704 6.380 80 HD2 LYS 8 1HD LYS 8 4.776 -9.288 8.903 81 HD3 LYS 8 2HD LYS 8 5.707 -10.406 7.881 82 HE2 LYS 8 1HE LYS 8 5.487 -8.932 5.971 83 HE3 LYS 8 2HE LYS 8 4.475 -7.844 6.899 84 HZ1 LYS 8 3HZ LYS 8 7.355 -8.427 7.246 85 HZ2 LYS 8 1HZ LYS 8 6.686 -6.950 6.889 86 HZ3 LYS 8 2HZ LYS 8 6.568 -7.606 8.393 87 H THR 9 H THR 9 1.019 -6.439 6.144 88 HA THR 9 HA THR 9 -1.837 -7.185 6.350 89 HB THR 9 HB THR 9 -1.123 -5.480 7.909 90 HG1 THR 9 1HG THR 9 -2.682 -3.885 7.188 91 HG21 THR 9 3HG2 THR 9 -0.147 -4.023 5.416 92 HG22 THR 9 1HG2 THR 9 -0.481 -3.210 6.926 93 HG23 THR 9 2HG2 THR 9 0.769 -4.458 6.864 94 H HIS 10 H HIS 10 -0.919 -8.234 4.070 95 HA HIS 10 HA HIS 10 -1.194 -8.213 1.765 96 HB2 HIS 10 1HB HIS 10 -3.657 -7.856 1.376 97 HB3 HIS 10 2HB HIS 10 -3.231 -8.990 2.634 98 HD1 HIS 10 1HD HIS 10 -4.036 -5.218 2.510 99 HD2 HIS 10 2HD HIS 10 -4.694 -8.696 4.805 100 HE1 HIS 10 1HE HIS 10 -5.792 -4.619 4.328 101 HE2 HIS 10 2HE HIS 10 -6.195 -6.733 5.692 102 H GLU 11 H GLU 11 0.410 -6.142 1.898 103 HA GLU 11 HA GLU 11 -0.743 -4.114 0.063 104 HB2 GLU 11 1HB GLU 11 1.615 -3.828 1.929 105 HB3 GLU 11 2HB GLU 11 1.226 -2.704 0.653 106 HG2 GLU 11 1HG GLU 11 -0.724 -1.914 1.722 107 HG3 GLU 11 2HG GLU 11 -0.741 -3.248 2.880 108 H TRP 12 H TRP 12 0.607 -3.557 -1.684 109 HA TRP 12 HA TRP 12 3.039 -5.183 -2.131 110 HB2 TRP 12 1HB TRP 12 2.777 -4.639 -4.523 111 HB3 TRP 12 2HB TRP 12 1.551 -5.734 -3.921 112 HD1 TRP 12 HD TRP 12 -0.924 -5.047 -4.193 113 HE1 TRP 12 1HE TRP 12 -2.193 -3.043 -5.164 114 HE3 TRP 12 3HE TRP 12 3.020 -1.893 -4.971 115 HZ2 TRP 12 2HZ TRP 12 -1.537 -0.537 -6.380 116 HZ3 TRP 12 3HZ TRP 12 2.647 0.339 -5.931 117 HH2 TRP 12 HH TRP 12 0.378 1.051 -6.648 118 H VAL 13 H VAL 13 4.726 -3.848 -3.115 119 HA VAL 13 HA VAL 13 4.529 -0.930 -2.587 120 HB VAL 13 HB VAL 13 7.178 -2.397 -2.417 121 HG11 VAL 13 1HG1 VAL 13 6.279 -0.204 -0.574 122 HG12 VAL 13 2HG1 VAL 13 7.849 -0.458 -1.381 123 HG13 VAL 13 3HG1 VAL 13 6.466 0.209 -2.261 124 HG21 VAL 13 3HG2 VAL 13 5.959 -3.757 -0.792 125 HG22 VAL 13 1HG2 VAL 13 6.903 -2.577 0.097 126 HG23 VAL 13 2HG2 VAL 13 5.145 -2.346 -0.141 127 H SER 14 H SER 14 5.907 0.213 -4.231 128 HA SER 14 HA SER 14 6.910 -1.405 -6.578 129 HB2 SER 14 1HB SER 14 4.661 0.491 -6.337 130 HB3 SER 14 2HB SER 14 5.712 0.821 -7.684 131 HG SER 14 HG SER 14 4.710 -0.661 -8.658 132 H ILE 15 H ILE 15 9.039 -0.878 -5.717 133 HA ILE 15 HA ILE 15 9.873 1.938 -5.503 134 HB ILE 15 HB ILE 15 11.104 -0.773 -5.014 135 HG12 ILE 15 1HG1 ILE 15 11.082 1.795 -3.368 136 HG13 ILE 15 2HG1 ILE 15 9.635 0.818 -3.504 137 HG21 ILE 15 1HG2 ILE 15 12.978 0.204 -6.111 138 HG22 ILE 15 2HG2 ILE 15 12.709 1.798 -5.350 139 HG23 ILE 15 3HG2 ILE 15 13.260 0.393 -4.395 140 HD11 ILE 15 3HD1 ILE 15 10.547 0.358 -1.467 141 HD12 ILE 15 1HD1 ILE 15 10.607 -1.065 -2.481 142 HD13 ILE 15 2HD1 ILE 15 12.129 -0.146 -2.124 143 H GLU 16 H GLU 16 9.516 2.886 -7.397 144 HA GLU 16 HA GLU 16 10.355 1.683 -9.927 145 HB2 GLU 16 1HB GLU 16 9.866 4.049 -10.768 146 HB3 GLU 16 2HB GLU 16 8.541 3.015 -10.246 147 HG2 GLU 16 1HG GLU 16 8.388 4.228 -8.102 148 HG3 GLU 16 2HG GLU 16 9.696 5.312 -8.616 149 H ASP 17 H ASP 17 11.359 4.588 -8.065 150 HA ASP 17 HA ASP 17 14.147 4.147 -9.040 151 HB2 ASP 17 1HB ASP 17 12.398 5.954 -10.147 152 HB3 ASP 17 2HB ASP 17 13.217 6.987 -9.005 153 H LYS 18 H LYS 18 12.898 6.894 -7.244 154 HA LYS 18 HA LYS 18 14.253 6.015 -4.720 155 HB2 LYS 18 1HB LYS 18 13.699 8.896 -5.441 156 HB3 LYS 18 2HB LYS 18 14.856 8.266 -4.279 157 HG2 LYS 18 1HG LYS 18 15.074 8.269 -7.320 158 HG3 LYS 18 2HG LYS 18 15.938 9.303 -6.183 159 HD2 LYS 18 1HD LYS 18 17.188 7.385 -5.316 160 HD3 LYS 18 2HD LYS 18 16.273 6.282 -6.330 161 HE2 LYS 18 1HE LYS 18 18.336 6.659 -7.460 162 HE3 LYS 18 2HE LYS 18 17.064 7.472 -8.374 163 HZ1 LYS 18 3HZ LYS 18 19.017 8.859 -8.162 164 HZ2 LYS 18 1HZ LYS 18 17.805 9.574 -7.308 165 HZ3 LYS 18 2HZ LYS 18 18.997 8.766 -6.530 166 H VAL 19 H VAL 19 11.336 6.325 -6.189 167 HA VAL 19 HA VAL 19 9.911 6.983 -3.700 168 HB VAL 19 HB VAL 19 9.171 7.593 -6.597 169 HG11 VAL 19 1HG1 VAL 19 7.143 6.839 -5.501 170 HG12 VAL 19 2HG1 VAL 19 7.473 7.871 -4.082 171 HG13 VAL 19 3HG1 VAL 19 7.081 8.601 -5.650 172 HG21 VAL 19 3HG2 VAL 19 9.506 9.395 -4.144 173 HG22 VAL 19 1HG2 VAL 19 10.621 9.315 -5.534 174 HG23 VAL 19 2HG2 VAL 19 8.984 9.937 -5.753 175 H ALA 20 H ALA 20 8.444 5.425 -3.174 176 HA ALA 20 HA ALA 20 8.110 3.084 -4.991 177 HB1 ALA 20 1HB ALA 20 8.937 2.703 -2.527 178 HB2 ALA 20 2HB ALA 20 7.296 3.208 -2.105 179 HB3 ALA 20 3HB ALA 20 7.555 1.755 -3.110 180 H THR 21 H THR 21 6.018 2.273 -4.984 181 HA THR 21 HA THR 21 3.839 4.239 -4.347 182 HB THR 21 HB THR 21 3.575 2.154 -6.539 183 HG1 THR 21 1HG THR 21 4.884 3.569 -7.481 184 HG21 THR 21 3HG2 THR 21 1.563 3.364 -7.139 185 HG22 THR 21 1HG2 THR 21 1.457 2.848 -5.472 186 HG23 THR 21 2HG2 THR 21 1.817 4.537 -5.850 187 H VAL 22 H VAL 22 2.236 3.358 -2.981 188 HA VAL 22 HA VAL 22 2.235 0.535 -2.348 189 HB VAL 22 HB VAL 22 2.176 1.275 -0.362 190 HG11 VAL 22 1HG1 VAL 22 3.427 3.308 -1.085 191 HG12 VAL 22 2HG1 VAL 22 1.863 4.149 -0.742 192 HG13 VAL 22 3HG1 VAL 22 2.729 3.255 0.514 193 HG21 VAL 22 3HG2 VAL 22 0.480 2.341 0.839 194 HG22 VAL 22 1HG2 VAL 22 -0.274 2.703 -0.732 195 HG23 VAL 22 2HG2 VAL 22 -0.043 1.019 -0.180 196 H GLY 23 H GLY 23 0.399 -0.694 -2.386 197 HA2 GLY 23 1HA GLY 23 -2.149 0.562 -2.286 198 HA3 GLY 23 2HA GLY 23 -1.941 -0.341 -3.794 199 H ILE 24 H ILE 24 -3.812 -1.382 -2.061 200 HA ILE 24 HA ILE 24 -2.458 -3.528 -0.558 201 HB ILE 24 HB ILE 24 -4.671 -4.316 0.031 202 HG12 ILE 24 1HG1 ILE 24 -5.681 -1.683 -1.126 203 HG13 ILE 24 2HG1 ILE 24 -5.946 -3.273 -1.851 204 HG21 ILE 24 1HG2 ILE 24 -4.331 -1.462 0.934 205 HG22 ILE 24 2HG2 ILE 24 -4.865 -2.847 1.874 206 HG23 ILE 24 3HG2 ILE 24 -3.173 -2.725 1.401 207 HD11 ILE 24 3HD1 ILE 24 -6.781 -3.304 0.947 208 HD12 ILE 24 1HD1 ILE 24 -7.554 -1.991 0.070 209 HD13 ILE 24 2HD1 ILE 24 -7.712 -3.656 -0.514 210 H THR 25 H THR 25 -2.924 -5.803 -1.041 211 HA THR 25 HA THR 25 -2.774 -6.264 -3.921 212 HB THR 25 HB THR 25 -2.553 -8.666 -3.039 213 HG1 THR 25 1HG THR 25 -2.303 -8.889 -0.818 214 HG21 THR 25 3HG2 THR 25 -0.263 -8.160 -2.030 215 HG22 THR 25 1HG2 THR 25 -0.569 -7.363 -3.580 216 HG23 THR 25 2HG2 THR 25 -0.680 -6.452 -2.058 217 H ASN 26 H ASN 26 -4.146 -7.980 -4.948 218 HA ASN 26 HA ASN 26 -6.905 -7.295 -4.818 219 HB2 ASN 26 1HB ASN 26 -5.336 -8.466 -6.665 220 HB3 ASN 26 2HB ASN 26 -6.008 -9.943 -5.985 221 HD21 ASN 26 1HD2 ASN 26 -8.582 -9.972 -5.933 222 HD22 ASN 26 2HD2 ASN 26 -9.350 -9.014 -7.210 223 H HIS 27 H HIS 27 -5.107 -9.827 -3.114 224 HA HIS 27 HA HIS 27 -7.137 -11.312 -1.859 225 HB2 HIS 27 1HB HIS 27 -4.790 -11.727 -1.529 226 HB3 HIS 27 2HB HIS 27 -4.521 -10.116 -0.886 227 HD1 HIS 27 1HD HIS 27 -3.300 -12.194 0.673 228 HD2 HIS 27 2HD HIS 27 -7.327 -11.138 1.319 229 HE1 HIS 27 1HE HIS 27 -3.831 -12.734 3.123 230 HE2 HIS 27 2HE HIS 27 -6.283 -12.122 3.477 231 H ALA 28 H ALA 28 -6.032 -7.948 -1.067 232 HA ALA 28 HA ALA 28 -7.482 -7.902 1.392 233 HB1 ALA 28 1HB ALA 28 -6.837 -5.570 1.377 234 HB2 ALA 28 2HB ALA 28 -5.489 -6.578 0.772 235 HB3 ALA 28 3HB ALA 28 -6.504 -5.666 -0.379 236 H GLN 29 H GLN 29 -8.256 -6.611 -1.912 237 HA GLN 29 HA GLN 29 -10.672 -5.335 -1.089 238 HB2 GLN 29 1HB GLN 29 -11.167 -5.118 -3.453 239 HB3 GLN 29 2HB GLN 29 -9.507 -4.742 -3.108 240 HG2 GLN 29 1HG GLN 29 -9.530 -5.819 -5.177 241 HG3 GLN 29 2HG GLN 29 -8.852 -6.931 -4.032 242 HE21 GLN 29 1HE2 GLN 29 -9.788 -8.951 -3.977 243 HE22 GLN 29 2HE2 GLN 29 -11.363 -9.357 -4.687 244 H GLU 30 H GLU 30 -9.972 -8.761 -1.747 245 HA GLU 30 HA GLU 30 -12.474 -9.758 -2.184 246 HB2 GLU 30 1HB GLU 30 -9.861 -10.555 -2.092 247 HB3 GLU 30 2HB GLU 30 -10.428 -11.288 -0.593 248 HG2 GLU 30 1HG GLU 30 -11.962 -11.612 -3.147 249 HG3 GLU 30 2HG GLU 30 -10.427 -12.459 -2.994 250 H GLN 31 H GLN 31 -11.089 -8.544 0.811 251 HA GLN 31 HA GLN 31 -13.120 -9.977 2.445 252 HB2 GLN 31 1HB GLN 31 -10.764 -8.226 3.246 253 HB3 GLN 31 2HB GLN 31 -11.849 -9.083 4.352 254 HG2 GLN 31 1HG GLN 31 -11.207 -11.246 3.211 255 HG3 GLN 31 2HG GLN 31 -9.993 -10.352 2.287 256 HE21 GLN 31 1HE2 GLN 31 -9.532 -12.534 4.260 257 HE22 GLN 31 2HE2 GLN 31 -8.336 -11.785 5.326 258 H LEU 32 H LEU 32 -12.153 -6.646 1.567 259 HA LEU 32 HA LEU 32 -14.288 -5.512 3.268 260 HB2 LEU 32 1HB LEU 32 -12.293 -4.178 1.412 261 HB3 LEU 32 2HB LEU 32 -13.536 -3.352 2.320 262 HG LEU 32 HG LEU 32 -11.025 -4.648 3.294 263 HD11 LEU 32 1HD1 LEU 32 -10.755 -2.557 4.520 264 HD12 LEU 32 2HD1 LEU 32 -11.262 -2.136 2.865 265 HD13 LEU 32 3HD1 LEU 32 -12.414 -2.085 4.212 266 HD21 LEU 32 3HD2 LEU 32 -13.452 -4.251 5.066 267 HD22 LEU 32 1HD2 LEU 32 -12.530 -5.742 4.805 268 HD23 LEU 32 2HD2 LEU 32 -11.791 -4.410 5.682 269 H GLY 33 H GLY 33 -13.858 -6.300 -0.207 270 HA2 GLY 33 1HA GLY 33 -15.405 -6.309 -1.858 271 HA3 GLY 33 2HA GLY 33 -16.661 -6.142 -0.617 272 H ASP 34 H ASP 34 -17.888 -4.520 -1.206 273 HA ASP 34 HA ASP 34 -17.072 -2.232 -2.802 274 HB2 ASP 34 1HB ASP 34 -19.575 -2.734 -1.138 275 HB3 ASP 34 2HB ASP 34 -19.268 -1.242 -2.019 276 H VAL 35 H VAL 35 -15.885 -0.654 -2.042 277 HA VAL 35 HA VAL 35 -15.816 -0.096 0.856 278 HB VAL 35 HB VAL 35 -14.143 1.371 -1.168 279 HG11 VAL 35 1HG1 VAL 35 -13.499 0.402 1.676 280 HG12 VAL 35 2HG1 VAL 35 -12.618 1.630 0.724 281 HG13 VAL 35 3HG1 VAL 35 -14.204 1.957 1.384 282 HG21 VAL 35 3HG2 VAL 35 -13.422 -1.294 0.050 283 HG22 VAL 35 1HG2 VAL 35 -13.572 -0.917 -1.695 284 HG23 VAL 35 2HG2 VAL 35 -12.294 -0.146 -0.736 285 H VAL 36 H VAL 36 -15.426 2.548 0.792 286 HA VAL 36 HA VAL 36 -17.687 4.015 -0.257 287 HB VAL 36 HB VAL 36 -18.078 4.643 2.215 288 HG11 VAL 36 1HG1 VAL 36 -19.046 1.887 1.315 289 HG12 VAL 36 2HG1 VAL 36 -19.841 2.951 2.494 290 HG13 VAL 36 3HG1 VAL 36 -19.754 3.428 0.796 291 HG21 VAL 36 3HG2 VAL 36 -16.631 2.090 2.691 292 HG22 VAL 36 1HG2 VAL 36 -16.433 3.665 3.446 293 HG23 VAL 36 2HG2 VAL 36 -17.859 2.704 3.832 294 H TYR 37 H TYR 37 -14.696 3.724 1.777 295 HA TYR 37 HA TYR 37 -13.884 6.373 0.811 296 HB2 TYR 37 1HB TYR 37 -15.271 6.922 2.734 297 HB3 TYR 37 2HB TYR 37 -14.424 5.743 3.733 298 HD1 TYR 37 1HD TYR 37 -13.415 8.610 1.455 299 HD2 TYR 37 2HD TYR 37 -13.088 6.742 5.328 300 HE1 TYR 37 1HE TYR 37 -11.828 10.369 2.166 301 HE2 TYR 37 2HE TYR 37 -11.424 8.445 6.027 302 HH TYR 37 HH TYR 37 -10.142 10.329 5.297 303 H VAL 38 H VAL 38 -11.625 6.862 1.312 304 HA VAL 38 HA VAL 38 -10.092 4.934 2.758 305 HB VAL 38 HB VAL 38 -8.916 3.911 1.195 306 HG11 VAL 38 1HG1 VAL 38 -9.672 3.840 -1.163 307 HG12 VAL 38 2HG1 VAL 38 -10.998 3.656 -0.031 308 HG13 VAL 38 3HG1 VAL 38 -10.735 5.209 -0.864 309 HG21 VAL 38 3HG2 VAL 38 -7.373 5.765 0.869 310 HG22 VAL 38 1HG2 VAL 38 -7.667 4.958 -0.659 311 HG23 VAL 38 2HG2 VAL 38 -8.468 6.503 -0.319 312 H ASP 39 H ASP 39 -8.503 5.706 3.751 313 HA ASP 39 HA ASP 39 -8.304 8.615 3.881 314 HB2 ASP 39 1HB ASP 39 -8.870 7.537 6.078 315 HB3 ASP 39 2HB ASP 39 -7.752 6.251 5.757 316 H LEU 40 H LEU 40 -6.175 9.615 3.815 317 HA LEU 40 HA LEU 40 -3.989 7.859 2.889 318 HB2 LEU 40 1HB LEU 40 -5.031 10.349 1.455 319 HB3 LEU 40 2HB LEU 40 -3.509 9.584 1.109 320 HG LEU 40 HG LEU 40 -4.956 8.972 -0.577 321 HD11 LEU 40 1HD1 LEU 40 -3.507 7.159 0.163 322 HD12 LEU 40 2HD1 LEU 40 -4.860 6.486 1.095 323 HD13 LEU 40 3HD1 LEU 40 -4.984 6.618 -0.659 324 HD21 LEU 40 3HD2 LEU 40 -7.051 9.580 0.479 325 HD22 LEU 40 1HD2 LEU 40 -7.049 8.202 -0.634 326 HD23 LEU 40 2HD2 LEU 40 -7.116 7.946 1.125 327 HA PRO 41 HA PRO 41 -1.715 10.751 5.415 328 HB2 PRO 41 1HB PRO 41 0.816 10.513 4.173 329 HB3 PRO 41 2HB PRO 41 0.165 9.528 5.496 330 HG2 PRO 41 1HG PRO 41 0.591 8.714 2.706 331 HG3 PRO 41 2HG PRO 41 0.093 7.733 4.101 332 HD2 PRO 41 1HD PRO 41 -1.547 8.842 1.948 333 HD3 PRO 41 2HD PRO 41 -1.960 7.642 3.198 334 H GLU 42 H GLU 42 0.270 12.630 4.919 335 HA GLU 42 HA GLU 42 -0.777 14.360 2.803 336 HB2 GLU 42 1HB GLU 42 -0.905 15.011 5.199 337 HB3 GLU 42 2HB GLU 42 0.836 14.882 5.352 338 HG2 GLU 42 1HG GLU 42 -0.452 16.631 3.218 339 HG3 GLU 42 2HG GLU 42 -0.361 17.116 4.912 340 H VAL 43 H VAL 43 0.942 15.670 1.718 341 HA VAL 43 HA VAL 43 2.715 13.816 0.490 342 HB VAL 43 HB VAL 43 1.118 15.804 -0.332 343 HG11 VAL 43 1HG1 VAL 43 2.620 17.589 0.665 344 HG12 VAL 43 2HG1 VAL 43 3.809 17.151 -0.589 345 HG13 VAL 43 3HG1 VAL 43 2.215 17.779 -1.049 346 HG21 VAL 43 3HG2 VAL 43 2.078 15.672 -2.521 347 HG22 VAL 43 1HG2 VAL 43 3.616 15.089 -1.866 348 HG23 VAL 43 2HG2 VAL 43 2.145 14.084 -1.751 349 H GLY 44 H GLY 44 3.418 15.250 3.218 350 HA2 GLY 44 1HA GLY 44 6.319 15.028 2.741 351 HA3 GLY 44 2HA GLY 44 5.708 16.508 3.507 352 H ARG 45 H ARG 45 3.832 13.687 4.284 353 HA ARG 45 HA ARG 45 4.650 13.831 7.066 354 HB2 ARG 45 1HB ARG 45 2.354 13.290 6.371 355 HB3 ARG 45 2HB ARG 45 2.911 11.797 5.586 356 HG2 ARG 45 1HG ARG 45 3.631 10.879 7.714 357 HG3 ARG 45 2HG ARG 45 3.340 12.423 8.539 358 HD2 ARG 45 1HD ARG 45 0.923 12.198 7.995 359 HD3 ARG 45 2HD ARG 45 1.245 10.595 7.300 360 HE ARG 45 HE ARG 45 1.897 9.771 9.454 361 HH11 ARG 45 2HH2 ARG 45 0.495 13.069 9.737 362 HH12 ARG 45 1HH2 ARG 45 1.119 13.253 11.345 363 HH21 ARG 45 2HH1 ARG 45 2.060 9.830 11.630 364 HH22 ARG 45 1HH1 ARG 45 1.746 11.259 12.564 365 H GLU 46 H GLU 46 6.351 12.721 8.009 366 HA GLU 46 HA GLU 46 7.790 10.615 6.487 367 HB2 GLU 46 1HB GLU 46 8.235 12.077 9.092 368 HB3 GLU 46 2HB GLU 46 8.757 10.402 8.984 369 HG2 GLU 46 1HG GLU 46 9.849 11.147 6.690 370 HG3 GLU 46 2HG GLU 46 9.722 12.765 7.386 371 H VAL 47 H VAL 47 7.644 8.331 7.121 372 HA VAL 47 HA VAL 47 5.719 7.589 9.217 373 HB VAL 47 HB VAL 47 4.454 6.129 7.808 374 HG11 VAL 47 1HG1 VAL 47 3.283 7.682 6.328 375 HG12 VAL 47 2HG1 VAL 47 3.744 8.503 7.834 376 HG13 VAL 47 3HG1 VAL 47 4.658 8.790 6.349 377 HG21 VAL 47 3HG2 VAL 47 4.733 5.931 5.366 378 HG22 VAL 47 1HG2 VAL 47 6.201 6.947 5.444 379 HG23 VAL 47 2HG2 VAL 47 6.155 5.346 6.209 380 H LYS 48 H LYS 48 5.968 5.162 9.760 381 HA LYS 48 HA LYS 48 8.541 4.119 8.809 382 HB2 LYS 48 1HB LYS 48 7.042 3.498 11.343 383 HB3 LYS 48 2HB LYS 48 8.536 2.769 10.810 384 HG2 LYS 48 1HG LYS 48 9.524 5.129 10.739 385 HG3 LYS 48 2HG LYS 48 8.114 5.653 11.664 386 HD2 LYS 48 1HD LYS 48 10.130 3.513 12.463 387 HD3 LYS 48 2HD LYS 48 10.049 5.170 13.089 388 HE2 LYS 48 1HE LYS 48 7.543 4.430 13.674 389 HE3 LYS 48 2HE LYS 48 8.230 2.803 13.611 390 HZ1 LYS 48 3HZ LYS 48 9.913 3.635 15.226 391 HZ2 LYS 48 1HZ LYS 48 9.095 5.073 15.271 392 HZ3 LYS 48 2HZ LYS 48 8.382 3.708 15.830 393 H LYS 49 H LYS 49 8.563 1.848 8.748 394 HA LYS 49 HA LYS 49 6.921 0.495 6.996 395 HB2 LYS 49 1HB LYS 49 9.325 0.232 7.779 396 HB3 LYS 49 2HB LYS 49 8.729 -0.639 9.154 397 HG2 LYS 49 1HG LYS 49 7.648 -2.152 7.073 398 HG3 LYS 49 2HG LYS 49 9.053 -1.458 6.286 399 HD2 LYS 49 1HD LYS 49 9.649 -3.615 7.216 400 HD3 LYS 49 2HD LYS 49 10.505 -2.334 8.082 401 HE2 LYS 49 1HE LYS 49 8.662 -2.437 9.851 402 HE3 LYS 49 2HE LYS 49 8.028 -3.856 9.013 403 HZ1 LYS 49 3HZ LYS 49 9.957 -5.042 9.556 404 HZ2 LYS 49 1HZ LYS 49 10.812 -3.730 10.000 405 HZ3 LYS 49 2HZ LYS 49 9.577 -4.230 10.949 406 H GLY 50 H GLY 50 5.443 1.376 9.571 407 HA2 GLY 50 1HA GLY 50 3.663 -0.922 9.644 408 HA3 GLY 50 2HA GLY 50 4.567 -0.748 11.149 409 H GLU 51 H GLU 51 3.505 2.207 9.353 410 HA GLU 51 HA GLU 51 1.785 2.790 11.696 411 HB2 GLU 51 1HB GLU 51 3.677 4.361 10.000 412 HB3 GLU 51 2HB GLU 51 2.172 5.141 10.432 413 HG2 GLU 51 1HG GLU 51 3.451 5.796 12.172 414 HG3 GLU 51 2HG GLU 51 2.661 4.403 12.887 415 H VAL 52 H VAL 52 -0.285 3.632 11.480 416 HA VAL 52 HA VAL 52 -1.847 2.441 9.389 417 HB VAL 52 HB VAL 52 -2.483 3.845 11.987 418 HG11 VAL 52 1HG1 VAL 52 -4.448 2.932 9.966 419 HG12 VAL 52 2HG1 VAL 52 -4.808 2.755 11.718 420 HG13 VAL 52 3HG1 VAL 52 -4.465 4.338 11.029 421 HG21 VAL 52 3HG2 VAL 52 -3.111 1.594 12.713 422 HG22 VAL 52 1HG2 VAL 52 -2.557 0.973 11.134 423 HG23 VAL 52 2HG2 VAL 52 -1.415 1.730 12.258 424 H VAL 53 H VAL 53 -0.360 4.464 8.163 425 HA VAL 53 HA VAL 53 -1.853 6.937 8.293 426 HB VAL 53 HB VAL 53 -0.153 7.699 6.581 427 HG11 VAL 53 1HG1 VAL 53 1.727 7.595 8.100 428 HG12 VAL 53 2HG1 VAL 53 0.228 7.884 8.999 429 HG13 VAL 53 3HG1 VAL 53 0.974 6.275 9.001 430 HG21 VAL 53 3HG2 VAL 53 1.650 6.244 5.887 431 HG22 VAL 53 1HG2 VAL 53 1.061 4.927 6.916 432 HG23 VAL 53 2HG2 VAL 53 0.144 5.425 5.479 433 H ALA 54 H ALA 54 -3.038 4.351 6.762 434 HA ALA 54 HA ALA 54 -4.278 5.957 4.666 435 HB1 ALA 54 1HB ALA 54 -2.222 5.338 3.553 436 HB2 ALA 54 2HB ALA 54 -2.430 3.638 4.023 437 HB3 ALA 54 3HB ALA 54 -3.543 4.386 2.842 438 H SER 55 H SER 55 -5.731 5.149 6.603 439 HA SER 55 HA SER 55 -6.566 2.395 6.629 440 HB2 SER 55 1HB SER 55 -7.455 4.998 7.786 441 HB3 SER 55 2HB SER 55 -8.587 3.665 7.855 442 HG SER 55 HG SER 55 -7.365 2.907 9.424 443 H ILE 56 H ILE 56 -8.825 1.705 6.265 444 HA ILE 56 HA ILE 56 -10.055 2.870 3.831 445 HB ILE 56 HB ILE 56 -9.440 -0.093 4.075 446 HG12 ILE 56 1HG1 ILE 56 -7.648 1.882 2.737 447 HG13 ILE 56 2HG1 ILE 56 -7.211 0.811 4.084 448 HG21 ILE 56 1HG2 ILE 56 -11.285 0.742 2.600 449 HG22 ILE 56 2HG2 ILE 56 -10.084 1.652 1.672 450 HG23 ILE 56 3HG2 ILE 56 -10.038 -0.128 1.714 451 HD11 ILE 56 3HD1 ILE 56 -7.841 -0.053 1.248 452 HD12 ILE 56 1HD1 ILE 56 -6.287 -0.095 2.071 453 HD13 ILE 56 2HD1 ILE 56 -7.591 -1.158 2.635 454 H GLU 57 H GLU 57 -12.049 3.381 4.740 455 HA GLU 57 HA GLU 57 -13.328 1.454 6.599 456 HB2 GLU 57 1HB GLU 57 -13.649 4.368 6.111 457 HB3 GLU 57 2HB GLU 57 -15.171 3.493 5.940 458 HG2 GLU 57 1HG GLU 57 -14.303 2.314 8.185 459 HG3 GLU 57 2HG GLU 57 -13.524 3.883 8.389 460 H SER 58 H SER 58 -14.734 0.048 5.796 461 HA SER 58 HA SER 58 -15.735 0.324 2.999 462 HB2 SER 58 1HB SER 58 -16.030 -2.119 2.997 463 HB3 SER 58 2HB SER 58 -14.350 -1.631 3.255 464 HG SER 58 HG SER 58 -14.728 -1.912 5.522 465 H VAL 59 H VAL 59 -17.924 -1.250 3.023 466 HA VAL 59 HA VAL 59 -19.902 0.330 4.084 467 HB VAL 59 HB VAL 59 -21.344 -1.701 3.588 468 HG11 VAL 59 1HG1 VAL 59 -20.922 0.072 1.950 469 HG12 VAL 59 2HG1 VAL 59 -19.430 -0.711 1.424 470 HG13 VAL 59 3HG1 VAL 59 -20.987 -1.507 1.152 471 HG21 VAL 59 3HG2 VAL 59 -19.583 -3.472 3.984 472 HG22 VAL 59 1HG2 VAL 59 -20.405 -3.579 2.430 473 HG23 VAL 59 2HG2 VAL 59 -18.763 -2.932 2.497 474 H LYS 60 H LYS 60 -18.227 -2.387 5.801 475 HA LYS 60 HA LYS 60 -19.150 -1.114 8.167 476 HB2 LYS 60 1HB LYS 60 -21.142 -2.638 7.580 477 HB3 LYS 60 2HB LYS 60 -20.085 -4.000 7.905 478 HG2 LYS 60 1HG LYS 60 -20.907 -3.885 9.994 479 HG3 LYS 60 2HG LYS 60 -19.829 -2.520 10.253 480 HD2 LYS 60 1HD LYS 60 -22.745 -2.373 9.449 481 HD3 LYS 60 2HD LYS 60 -22.056 -2.063 11.034 482 HE2 LYS 60 1HE LYS 60 -20.565 -0.341 9.497 483 HE3 LYS 60 2HE LYS 60 -22.086 -0.334 8.595 484 HZ1 LYS 60 3HZ LYS 60 -22.011 1.374 10.287 485 HZ2 LYS 60 1HZ LYS 60 -23.196 0.340 10.672 486 HZ3 LYS 60 2HZ LYS 60 -21.748 0.262 11.476 487 H ALA 61 H ALA 61 -16.519 -1.616 7.135 488 HA ALA 61 HA ALA 61 -15.437 -2.750 9.578 489 HB1 ALA 61 1HB ALA 61 -14.711 -3.981 6.885 490 HB2 ALA 61 2HB ALA 61 -13.866 -4.299 8.409 491 HB3 ALA 61 3HB ALA 61 -15.555 -4.808 8.206 492 H ALA 62 H ALA 62 -12.944 -2.475 9.501 493 HA ALA 62 HA ALA 62 -12.086 -0.225 7.808 494 HB1 ALA 62 1HB ALA 62 -10.953 0.768 9.755 495 HB2 ALA 62 2HB ALA 62 -12.706 0.762 9.965 496 HB3 ALA 62 3HB ALA 62 -11.700 -0.435 10.823 497 H ALA 63 H ALA 63 -10.264 -0.851 6.811 498 HA ALA 63 HA ALA 63 -8.413 -2.807 8.122 499 HB1 ALA 63 1HB ALA 63 -7.223 -2.833 5.967 500 HB2 ALA 63 2HB ALA 63 -8.893 -3.399 5.790 501 HB3 ALA 63 3HB ALA 63 -8.441 -1.756 5.261 502 H ASP 64 H ASP 64 -6.353 -1.912 8.828 503 HA ASP 64 HA ASP 64 -5.876 0.964 8.475 504 HB2 ASP 64 1HB ASP 64 -4.186 -0.852 10.174 505 HB3 ASP 64 2HB ASP 64 -4.644 0.795 10.417 506 H VAL 65 H VAL 65 -4.487 1.178 6.628 507 HA VAL 65 HA VAL 65 -2.930 -1.096 5.672 508 HB VAL 65 HB VAL 65 -3.088 1.801 4.907 509 HG11 VAL 65 1HG1 VAL 65 -1.663 1.408 3.011 510 HG12 VAL 65 2HG1 VAL 65 -0.774 0.889 4.433 511 HG13 VAL 65 3HG1 VAL 65 -1.548 -0.321 3.389 512 HG21 VAL 65 3HG2 VAL 65 -3.911 -0.736 3.398 513 HG22 VAL 65 1HG2 VAL 65 -5.027 0.274 4.329 514 HG23 VAL 65 2HG2 VAL 65 -4.245 0.953 2.918 515 H TYR 66 H TYR 66 -0.841 -1.496 6.617 516 HA TYR 66 HA TYR 66 0.198 0.574 8.486 517 HB2 TYR 66 1HB TYR 66 0.778 -2.420 8.575 518 HB3 TYR 66 2HB TYR 66 1.458 -1.192 9.603 519 HD1 TYR 66 2HD TYR 66 -1.544 -3.161 8.820 520 HD2 TYR 66 1HD TYR 66 0.157 -0.223 11.455 521 HE1 TYR 66 2HE TYR 66 -3.310 -3.613 10.372 522 HE2 TYR 66 1HE TYR 66 -1.571 -0.715 13.130 523 HH TYR 66 HH TYR 66 -4.475 -2.223 12.332 524 H ALA 67 H ALA 67 1.424 1.662 7.281 525 HA ALA 67 HA ALA 67 2.145 1.326 4.850 526 HB1 ALA 67 1HB ALA 67 3.915 3.120 5.114 527 HB2 ALA 67 2HB ALA 67 2.426 3.445 6.028 528 HB3 ALA 67 3HB ALA 67 3.865 2.833 6.856 529 HA PRO 68 HA PRO 68 4.828 -1.730 4.238 530 HB2 PRO 68 1HB PRO 68 5.873 -1.377 1.752 531 HB3 PRO 68 2HB PRO 68 4.123 -1.612 2.033 532 HG2 PRO 68 1HG PRO 68 5.649 0.973 1.668 533 HG3 PRO 68 2HG PRO 68 4.106 0.479 0.880 534 HD2 PRO 68 1HD PRO 68 4.201 2.114 3.076 535 HD3 PRO 68 2HD PRO 68 2.883 0.937 2.840 536 H LEU 69 H LEU 69 6.638 1.276 3.947 537 HA LEU 69 HA LEU 69 9.215 -0.038 4.611 538 HB2 LEU 69 1HB LEU 69 8.658 2.046 2.483 539 HB3 LEU 69 2HB LEU 69 10.203 1.931 3.270 540 HG LEU 69 HG LEU 69 10.337 0.930 1.153 541 HD11 LEU 69 1HD1 LEU 69 10.530 -1.239 3.291 542 HD12 LEU 69 2HD1 LEU 69 11.374 -1.203 1.726 543 HD13 LEU 69 3HD1 LEU 69 11.743 0.007 2.945 544 HD21 LEU 69 3HD2 LEU 69 8.289 -1.138 1.957 545 HD22 LEU 69 1HD2 LEU 69 8.007 0.250 0.887 546 HD23 LEU 69 2HD2 LEU 69 9.175 -1.018 0.429 547 H SER 70 H SER 70 10.615 1.851 5.530 548 HA SER 70 HA SER 70 8.955 3.931 6.833 549 HB2 SER 70 1HB SER 70 11.839 3.043 7.216 550 HB3 SER 70 2HB SER 70 11.079 4.434 8.014 551 HG SER 70 HG SER 70 10.966 1.776 8.647 552 H GLY 71 H GLY 71 9.633 6.225 6.377 553 HA2 GLY 71 1HA GLY 71 11.299 7.158 4.395 554 HA3 GLY 71 2HA GLY 71 9.990 6.385 3.496 555 H LYS 72 H LYS 72 9.659 8.652 2.725 556 HA LYS 72 HA LYS 72 7.809 10.079 4.585 557 HB2 LYS 72 1HB LYS 72 10.114 11.144 4.480 558 HB3 LYS 72 2HB LYS 72 9.852 11.341 2.778 559 HG2 LYS 72 1HG LYS 72 7.588 12.588 3.811 560 HG3 LYS 72 2HG LYS 72 8.795 12.893 5.061 561 HD2 LYS 72 1HD LYS 72 10.302 13.561 2.909 562 HD3 LYS 72 2HD LYS 72 8.698 13.784 2.185 563 HE2 LYS 72 1HE LYS 72 8.189 15.226 4.286 564 HE3 LYS 72 2HE LYS 72 9.930 15.171 4.600 565 HZ1 LYS 72 3HZ LYS 72 8.643 16.204 2.134 566 HZ2 LYS 72 1HZ LYS 72 9.302 17.133 3.313 567 HZ3 LYS 72 2HZ LYS 72 10.246 16.163 2.378 568 H ILE 73 H ILE 73 5.903 10.493 3.727 569 HA ILE 73 HA ILE 73 5.164 9.439 1.158 570 HB ILE 73 HB ILE 73 3.694 11.360 2.962 571 HG12 ILE 73 1HG1 ILE 73 4.032 9.688 4.482 572 HG13 ILE 73 2HG1 ILE 73 2.507 9.243 3.815 573 HG21 ILE 73 1HG2 ILE 73 2.701 11.070 0.678 574 HG22 ILE 73 2HG2 ILE 73 2.524 9.332 1.005 575 HG23 ILE 73 3HG2 ILE 73 1.644 10.550 1.961 576 HD11 ILE 73 3HD1 ILE 73 3.552 7.224 3.906 577 HD12 ILE 73 1HD1 ILE 73 3.913 7.696 2.229 578 HD13 ILE 73 2HD1 ILE 73 5.144 7.878 3.491 579 H VAL 74 H VAL 74 4.830 10.599 -0.775 580 HA VAL 74 HA VAL 74 5.147 13.513 -0.812 581 HB VAL 74 HB VAL 74 6.944 13.311 -2.583 582 HG11 VAL 74 1HG1 VAL 74 7.945 12.207 0.062 583 HG12 VAL 74 2HG1 VAL 74 8.805 13.218 -1.109 584 HG13 VAL 74 3HG1 VAL 74 7.455 13.895 -0.190 585 HG21 VAL 74 3HG2 VAL 74 6.684 10.932 -3.189 586 HG22 VAL 74 1HG2 VAL 74 8.343 11.324 -2.726 587 HG23 VAL 74 2HG2 VAL 74 7.293 10.463 -1.588 588 H GLU 75 H GLU 75 3.360 10.841 -1.777 589 HA GLU 75 HA GLU 75 1.965 12.579 -3.553 590 HB2 GLU 75 1HB GLU 75 3.871 10.824 -4.736 591 HB3 GLU 75 2HB GLU 75 2.322 10.042 -4.969 592 HG2 GLU 75 1HG GLU 75 1.478 11.932 -6.209 593 HG3 GLU 75 2HG GLU 75 2.811 12.967 -5.674 594 H VAL 76 H VAL 76 -0.254 11.691 -3.782 595 HA VAL 76 HA VAL 76 -0.922 9.178 -2.421 596 HB VAL 76 HB VAL 76 -2.667 10.167 -1.097 597 HG11 VAL 76 1HG1 VAL 76 -0.399 10.048 -0.047 598 HG12 VAL 76 2HG1 VAL 76 -0.138 11.754 -0.485 599 HG13 VAL 76 3HG1 VAL 76 -1.439 11.313 0.618 600 HG21 VAL 76 3HG2 VAL 76 -3.293 12.051 -2.500 601 HG22 VAL 76 1HG2 VAL 76 -2.955 12.609 -0.861 602 HG23 VAL 76 2HG2 VAL 76 -1.751 12.865 -2.156 603 H ASN 77 H ASN 77 -3.506 8.883 -2.848 604 HA ASN 77 HA ASN 77 -3.833 9.563 -5.735 605 HB2 ASN 77 1HB ASN 77 -3.240 7.142 -4.937 606 HB3 ASN 77 2HB ASN 77 -4.876 7.054 -4.412 607 HD21 ASN 77 1HD2 ASN 77 -5.057 5.310 -5.936 608 HD22 ASN 77 2HD2 ASN 77 -5.203 5.529 -7.647 609 H GLU 78 H GLU 78 -5.069 11.520 -5.115 610 HA GLU 78 HA GLU 78 -7.394 11.517 -3.561 611 HB2 GLU 78 1HB GLU 78 -6.518 13.124 -5.987 612 HB3 GLU 78 2HB GLU 78 -8.057 13.411 -5.238 613 HG2 GLU 78 1HG GLU 78 -7.114 14.240 -3.238 614 HG3 GLU 78 2HG GLU 78 -5.503 13.629 -3.640 615 H LYS 79 H LYS 79 -6.855 9.972 -6.454 616 HA LYS 79 HA LYS 79 -9.429 9.819 -7.742 617 HB2 LYS 79 1HB LYS 79 -7.156 7.785 -7.524 618 HB3 LYS 79 2HB LYS 79 -8.522 7.616 -8.588 619 HG2 LYS 79 1HG LYS 79 -7.873 9.997 -9.446 620 HG3 LYS 79 2HG LYS 79 -6.315 9.675 -8.671 621 HD2 LYS 79 1HD LYS 79 -5.885 9.009 -10.825 622 HD3 LYS 79 2HD LYS 79 -6.395 7.460 -10.130 623 HE2 LYS 79 1HE LYS 79 -8.703 7.845 -10.958 624 HE3 LYS 79 2HE LYS 79 -8.264 9.452 -11.535 625 HZ1 LYS 79 3HZ LYS 79 -6.891 8.545 -13.164 626 HZ2 LYS 79 1HZ LYS 79 -6.974 7.005 -12.572 627 HZ3 LYS 79 2HZ LYS 79 -8.312 7.684 -13.240 628 H LEU 80 H LEU 80 -8.037 8.105 -4.933 629 HA LEU 80 HA LEU 80 -10.198 6.157 -4.814 630 HB2 LEU 80 1HB LEU 80 -7.902 6.917 -2.970 631 HB3 LEU 80 2HB LEU 80 -9.092 5.708 -2.546 632 HG LEU 80 HG LEU 80 -6.719 5.148 -3.743 633 HD11 LEU 80 1HD1 LEU 80 -9.378 3.663 -3.921 634 HD12 LEU 80 2HD1 LEU 80 -7.821 2.933 -4.353 635 HD13 LEU 80 3HD1 LEU 80 -8.090 3.491 -2.701 636 HD21 LEU 80 3HD2 LEU 80 -7.071 4.352 -6.017 637 HD22 LEU 80 1HD2 LEU 80 -8.745 4.937 -6.036 638 HD23 LEU 80 2HD2 LEU 80 -7.387 6.080 -5.973 639 H ASP 81 H ASP 81 -9.868 9.482 -3.825 640 HA ASP 81 HA ASP 81 -11.753 9.361 -1.671 641 HB2 ASP 81 1HB ASP 81 -10.094 11.249 -2.244 642 HB3 ASP 81 2HB ASP 81 -11.291 11.775 -3.428 643 H THR 82 H THR 82 -12.050 9.139 -5.141 644 HA THR 82 HA THR 82 -15.001 9.552 -4.932 645 HB THR 82 HB THR 82 -14.998 10.630 -7.039 646 HG1 THR 82 1HG THR 82 -12.267 10.965 -7.281 647 HG21 THR 82 3HG2 THR 82 -14.562 12.135 -5.135 648 HG22 THR 82 1HG2 THR 82 -12.820 11.921 -5.329 649 HG23 THR 82 2HG2 THR 82 -13.768 12.688 -6.605 650 H GLU 83 H GLU 83 -12.501 7.407 -6.010 651 HA GLU 83 HA GLU 83 -14.637 5.446 -6.701 652 HB2 GLU 83 1HB GLU 83 -11.929 5.843 -7.892 653 HB3 GLU 83 2HB GLU 83 -12.854 4.353 -8.155 654 HG2 GLU 83 1HG GLU 83 -13.774 7.093 -9.095 655 HG3 GLU 83 2HG GLU 83 -12.847 5.957 -10.072 656 HA PRO 84 HA PRO 84 -11.839 4.213 -3.152 657 HB2 PRO 84 1HB PRO 84 -13.886 3.513 -1.420 658 HB3 PRO 84 2HB PRO 84 -13.090 5.110 -1.468 659 HG2 PRO 84 1HG PRO 84 -15.732 4.283 -2.608 660 HG3 PRO 84 2HG PRO 84 -15.274 5.859 -1.909 661 HD2 PRO 84 1HD PRO 84 -15.462 5.351 -4.619 662 HD3 PRO 84 2HD PRO 84 -14.348 6.593 -3.987 663 H GLU 85 H GLU 85 -14.633 2.908 -4.871 664 HA GLU 85 HA GLU 85 -14.055 0.163 -4.283 665 HB2 GLU 85 1HB GLU 85 -15.673 -0.365 -5.980 666 HB3 GLU 85 2HB GLU 85 -16.274 0.958 -4.989 667 HG2 GLU 85 1HG GLU 85 -15.546 2.572 -6.802 668 HG3 GLU 85 2HG GLU 85 -15.015 1.200 -7.761 669 H LEU 86 H LEU 86 -12.184 2.401 -6.267 670 HA LEU 86 HA LEU 86 -11.666 0.661 -8.459 671 HB2 LEU 86 1HB LEU 86 -10.874 3.266 -7.717 672 HB3 LEU 86 2HB LEU 86 -9.433 2.397 -7.467 673 HG LEU 86 HG LEU 86 -10.585 3.455 -9.874 674 HD11 LEU 86 1HD1 LEU 86 -8.105 1.759 -9.596 675 HD12 LEU 86 2HD1 LEU 86 -8.453 3.028 -10.787 676 HD13 LEU 86 3HD1 LEU 86 -8.189 3.456 -9.064 677 HD21 LEU 86 3HD2 LEU 86 -11.568 1.313 -10.494 678 HD22 LEU 86 1HD2 LEU 86 -10.098 1.631 -11.483 679 HD23 LEU 86 2HD2 LEU 86 -10.032 0.480 -10.131 680 H ILE 87 H ILE 87 -10.642 0.514 -5.190 681 HA ILE 87 HA ILE 87 -8.254 -1.030 -5.451 682 HB ILE 87 HB ILE 87 -10.367 -1.245 -3.258 683 HG12 ILE 87 1HG1 ILE 87 -8.136 0.797 -3.569 684 HG13 ILE 87 2HG1 ILE 87 -9.852 1.156 -3.572 685 HG21 ILE 87 1HG2 ILE 87 -8.574 -1.931 -1.880 686 HG22 ILE 87 2HG2 ILE 87 -8.362 -2.876 -3.341 687 HG23 ILE 87 3HG2 ILE 87 -7.332 -1.464 -3.077 688 HD11 ILE 87 3HD1 ILE 87 -8.230 0.241 -1.181 689 HD12 ILE 87 1HD1 ILE 87 -8.976 1.810 -1.463 690 HD13 ILE 87 2HD1 ILE 87 -10.010 0.394 -1.199 691 H ASN 88 H ASN 88 -11.709 -1.825 -5.884 692 HA ASN 88 HA ASN 88 -11.347 -4.709 -5.916 693 HB2 ASN 88 1HB ASN 88 -13.520 -2.886 -7.026 694 HB3 ASN 88 2HB ASN 88 -13.514 -4.628 -7.170 695 HD21 ASN 88 1HD2 ASN 88 -13.370 -2.139 -4.610 696 HD22 ASN 88 2HD2 ASN 88 -14.193 -3.142 -3.390 697 H LYS 89 H LYS 89 -11.555 -2.028 -8.171 698 HA LYS 89 HA LYS 89 -11.696 -3.729 -10.461 699 HB2 LYS 89 1HB LYS 89 -12.316 -1.023 -9.726 700 HB3 LYS 89 2HB LYS 89 -11.384 -0.936 -11.168 701 HG2 LYS 89 1HG LYS 89 -13.677 -2.928 -10.926 702 HG3 LYS 89 2HG LYS 89 -14.005 -1.245 -11.247 703 HD2 LYS 89 1HD LYS 89 -12.086 -2.856 -12.977 704 HD3 LYS 89 2HD LYS 89 -13.823 -2.848 -13.271 705 HE2 LYS 89 1HE LYS 89 -12.007 -0.395 -13.296 706 HE3 LYS 89 2HE LYS 89 -12.663 -1.227 -14.710 707 HZ1 LYS 89 3HZ LYS 89 -14.080 0.612 -14.305 708 HZ2 LYS 89 1HZ LYS 89 -14.925 -0.664 -13.770 709 HZ3 LYS 89 2HZ LYS 89 -14.214 0.315 -12.704 710 H ASP 90 H ASP 90 -8.954 -1.850 -9.111 711 HA ASP 90 HA ASP 90 -7.243 -3.480 -10.756 712 HB2 ASP 90 1HB ASP 90 -8.021 -1.267 -12.131 713 HB3 ASP 90 2HB ASP 90 -6.696 -0.549 -11.301 714 HA PRO 91 HA PRO 91 -6.176 -1.818 -6.510 715 HB2 PRO 91 1HB PRO 91 -5.028 -4.249 -5.552 716 HB3 PRO 91 2HB PRO 91 -6.629 -3.591 -5.190 717 HG2 PRO 91 1HG PRO 91 -5.801 -5.696 -7.133 718 HG3 PRO 91 2HG PRO 91 -7.366 -5.508 -6.298 719 HD2 PRO 91 1HD PRO 91 -6.922 -4.913 -8.971 720 HD3 PRO 91 2HD PRO 91 -8.178 -4.114 -7.993 721 H GLU 92 H GLU 92 -4.135 -3.494 -8.813 722 HA GLU 92 HA GLU 92 -1.720 -2.413 -7.485 723 HB2 GLU 92 1HB GLU 92 -1.493 -4.548 -9.497 724 HB3 GLU 92 2HB GLU 92 -0.525 -4.194 -8.082 725 HG2 GLU 92 1HG GLU 92 -1.526 -6.077 -7.324 726 HG3 GLU 92 2HG GLU 92 -2.706 -4.943 -6.729 727 H GLY 93 H GLY 93 -3.687 -1.537 -9.879 728 HA2 GLY 93 1HA GLY 93 -1.512 -0.426 -11.634 729 HA3 GLY 93 2HA GLY 93 -3.183 -0.710 -12.136 730 H GLU 94 H GLU 94 -4.869 0.563 -11.193 731 HA GLU 94 HA GLU 94 -3.982 3.341 -10.671 732 HB2 GLU 94 1HB GLU 94 -6.425 1.996 -11.835 733 HB3 GLU 94 2HB GLU 94 -6.522 3.662 -11.256 734 HG2 GLU 94 1HG GLU 94 -4.301 2.859 -13.105 735 HG3 GLU 94 2HG GLU 94 -5.882 3.179 -13.756 736 H GLY 95 H GLY 95 -5.776 0.671 -9.100 737 HA2 GLY 95 1HA GLY 95 -6.947 2.407 -7.078 738 HA3 GLY 95 2HA GLY 95 -6.959 0.669 -7.122 739 H TRP 96 H TRP 96 -4.132 2.884 -7.132 740 HA TRP 96 HA TRP 96 -2.775 1.444 -4.945 741 HB2 TRP 96 1HB TRP 96 -0.933 2.984 -5.490 742 HB3 TRP 96 2HB TRP 96 -1.515 2.121 -6.889 743 HD1 TRP 96 HD TRP 96 -2.747 3.531 -8.768 744 HE1 TRP 96 1HE TRP 96 -2.617 5.999 -9.437 745 HE3 TRP 96 3HE TRP 96 -0.566 5.438 -4.531 746 HZ2 TRP 96 2HZ TRP 96 -1.707 8.455 -8.302 747 HZ3 TRP 96 3HZ TRP 96 -0.127 7.937 -4.379 748 HH2 TRP 96 HH TRP 96 -0.566 9.366 -6.319 749 H LEU 97 H LEU 97 -1.825 2.861 -3.046 750 HA LEU 97 HA LEU 97 -4.018 4.724 -2.226 751 HB2 LEU 97 1HB LEU 97 -2.103 3.436 -0.350 752 HB3 LEU 97 2HB LEU 97 -3.529 4.377 0.010 753 HG LEU 97 HG LEU 97 -3.993 1.825 -1.447 754 HD11 LEU 97 1HD1 LEU 97 -2.894 1.912 1.328 755 HD12 LEU 97 2HD1 LEU 97 -3.719 0.518 0.621 756 HD13 LEU 97 3HD1 LEU 97 -2.213 1.088 -0.084 757 HD21 LEU 97 3HD2 LEU 97 -5.853 3.308 -0.474 758 HD22 LEU 97 1HD2 LEU 97 -5.874 1.642 0.126 759 HD23 LEU 97 2HD2 LEU 97 -5.207 2.937 1.149 760 H PHE 98 H PHE 98 -0.248 4.275 -1.548 761 HA PHE 98 HA PHE 98 -0.290 7.171 -2.276 762 HB2 PHE 98 1HB PHE 98 0.797 7.837 -0.216 763 HB3 PHE 98 2HB PHE 98 -0.828 7.267 0.019 764 HD1 PHE 98 2HD PHE 98 -1.291 5.099 1.185 765 HD2 PHE 98 1HD PHE 98 2.686 6.671 0.771 766 HE1 PHE 98 2HE PHE 98 -0.504 3.626 3.038 767 HE2 PHE 98 1HE PHE 98 3.425 5.258 2.711 768 HZ PHE 98 HZ PHE 98 1.824 3.717 3.794 769 H LYS 99 H LYS 99 2.117 8.053 -1.856 770 HA LYS 99 HA LYS 99 4.030 5.991 -2.738 771 HB2 LYS 99 1HB LYS 99 3.897 8.782 -3.936 772 HB3 LYS 99 2HB LYS 99 5.100 7.582 -4.239 773 HG2 LYS 99 1HG LYS 99 2.922 6.126 -4.911 774 HG3 LYS 99 2HG LYS 99 2.303 7.721 -5.302 775 HD2 LYS 99 1HD LYS 99 4.888 6.464 -6.334 776 HD3 LYS 99 2HD LYS 99 3.350 6.547 -7.207 777 HE2 LYS 99 1HE LYS 99 3.409 8.998 -7.155 778 HE3 LYS 99 2HE LYS 99 4.939 8.981 -6.276 779 HZ1 LYS 99 3HZ LYS 99 4.448 7.959 -8.997 780 HZ2 LYS 99 1HZ LYS 99 5.218 9.335 -8.603 781 HZ3 LYS 99 2HZ LYS 99 5.918 7.875 -8.241 782 H MET 100 H MET 100 6.205 6.537 -2.208 783 HA MET 100 HA MET 100 6.614 8.698 -0.278 784 HB2 MET 100 1HB MET 100 7.712 6.616 1.101 785 HB3 MET 100 2HB MET 100 6.198 7.395 1.495 786 HG2 MET 100 1HG MET 100 4.912 5.673 0.350 787 HG3 MET 100 2HG MET 100 6.320 4.895 -0.251 788 HE1 MET 100 3HE MET 100 7.490 5.833 3.248 789 HE2 MET 100 1HE MET 100 7.590 4.167 3.807 790 HE3 MET 100 2HE MET 100 8.330 4.608 2.261 791 H GLU 101 H GLU 101 8.681 9.308 -0.153 792 HA GLU 101 HA GLU 101 10.758 8.403 -1.931 793 HB2 GLU 101 1HB GLU 101 10.607 10.712 -1.019 794 HB3 GLU 101 2HB GLU 101 10.817 10.081 0.622 795 HG2 GLU 101 1HG GLU 101 13.046 9.133 -0.076 796 HG3 GLU 101 2HG GLU 101 12.835 9.887 -1.660 797 H ILE 102 H ILE 102 12.089 6.698 -1.556 798 HA ILE 102 HA ILE 102 11.799 5.175 0.946 799 HB ILE 102 HB ILE 102 13.420 3.645 -0.177 800 HG12 ILE 102 1HG1 ILE 102 12.470 4.843 -2.793 801 HG13 ILE 102 2HG1 ILE 102 14.031 5.305 -2.107 802 HG21 ILE 102 1HG2 ILE 102 11.588 2.530 -1.360 803 HG22 ILE 102 2HG2 ILE 102 10.972 3.292 0.095 804 HG23 ILE 102 3HG2 ILE 102 10.701 4.076 -1.493 805 HD11 ILE 102 3HD1 ILE 102 13.358 2.413 -2.719 806 HD12 ILE 102 1HD1 ILE 102 14.123 3.521 -3.876 807 HD13 ILE 102 2HD1 ILE 102 14.931 3.147 -2.354 808 H SER 103 H SER 103 12.717 6.336 2.455 809 HA SER 103 HA SER 103 15.329 7.583 2.253 810 HB2 SER 103 1HB SER 103 13.823 6.641 4.716 811 HB3 SER 103 2HB SER 103 15.173 7.787 4.688 812 HG SER 103 HG SER 103 13.875 9.248 3.617 813 H ASP 104 H ASP 104 14.199 4.246 2.919 814 HA ASP 104 HA ASP 104 16.995 3.431 3.396 815 HB2 ASP 104 1HB ASP 104 15.471 2.016 5.352 816 HB3 ASP 104 2HB ASP 104 16.894 2.988 5.439 817 H GLU 105 H GLU 105 16.738 2.686 1.338 818 HA GLU 105 HA GLU 105 15.062 0.355 0.869 819 HB2 GLU 105 1HB GLU 105 15.094 1.156 -1.175 820 HB3 GLU 105 2HB GLU 105 16.161 2.345 -0.593 821 HG2 GLU 105 1HG GLU 105 17.409 1.827 -2.287 822 HG3 GLU 105 2HG GLU 105 18.073 0.660 -1.168 823 H GLY 106 H GLY 106 16.933 0.418 2.867 824 HA2 GLY 106 1HA GLY 106 18.302 -2.247 2.423 825 HA3 GLY 106 2HA GLY 106 18.547 -1.292 3.880 826 H GLU 107 H GLU 107 15.411 -0.770 3.816 827 HA GLU 107 HA GLU 107 14.893 -2.979 5.626 828 HB2 GLU 107 1HB GLU 107 13.304 -0.623 4.585 829 HB3 GLU 107 2HB GLU 107 12.569 -1.801 5.657 830 HG2 GLU 107 1HG GLU 107 15.140 -0.338 6.401 831 HG3 GLU 107 2HG GLU 107 13.538 0.285 6.779 832 H LEU 108 H LEU 108 14.679 -2.836 2.279 833 HA LEU 108 HA LEU 108 12.202 -4.111 1.713 834 HB2 LEU 108 1HB LEU 108 14.816 -4.297 0.195 835 HB3 LEU 108 2HB LEU 108 13.264 -4.835 -0.400 836 HG LEU 108 HG LEU 108 12.614 -2.233 -0.188 837 HD11 LEU 108 1HD1 LEU 108 14.179 -0.793 -0.492 838 HD12 LEU 108 2HD1 LEU 108 13.977 -1.398 1.160 839 HD13 LEU 108 3HD1 LEU 108 15.373 -1.993 0.168 840 HD21 LEU 108 3HD2 LEU 108 13.528 -3.630 -2.386 841 HD22 LEU 108 1HD2 LEU 108 13.553 -1.823 -2.401 842 HD23 LEU 108 2HD2 LEU 108 14.993 -2.726 -2.023 843 H GLU 109 H GLU 109 15.146 -5.328 3.049 844 HA GLU 109 HA GLU 109 14.753 -8.132 2.392 845 HB2 GLU 109 1HB GLU 109 16.501 -6.784 4.489 846 HB3 GLU 109 2HB GLU 109 16.577 -8.485 4.031 847 HG2 GLU 109 1HG GLU 109 16.812 -7.045 1.576 848 HG3 GLU 109 2HG GLU 109 17.780 -6.152 2.728 849 H ASP 110 H ASP 110 13.407 -6.008 4.856 850 HA ASP 110 HA ASP 110 12.639 -8.292 6.593 851 HB2 ASP 110 1HB ASP 110 13.137 -6.035 7.566 852 HB3 ASP 110 2HB ASP 110 11.730 -5.386 6.712 853 H LEU 111 H LEU 111 11.566 -6.817 3.630 854 HA LEU 111 HA LEU 111 8.715 -7.299 4.118 855 HB2 LEU 111 1HB LEU 111 10.169 -6.530 1.564 856 HB3 LEU 111 2HB LEU 111 8.449 -6.405 1.895 857 HG LEU 111 HG LEU 111 10.667 -4.762 3.160 858 HD11 LEU 111 1HD1 LEU 111 10.095 -4.141 0.868 859 HD12 LEU 111 2HD1 LEU 111 8.371 -3.992 1.329 860 HD13 LEU 111 3HD1 LEU 111 9.599 -2.915 2.026 861 HD21 LEU 111 3HD2 LEU 111 7.685 -4.519 3.693 862 HD22 LEU 111 1HD2 LEU 111 8.887 -5.189 4.847 863 HD23 LEU 111 2HD2 LEU 111 9.005 -3.516 4.356 864 H LEU 112 H LEU 112 7.567 -8.724 2.460 865 HA LEU 112 HA LEU 112 9.020 -11.201 2.105 866 HB2 LEU 112 1HB LEU 112 6.351 -10.413 0.896 867 HB3 LEU 112 2HB LEU 112 7.028 -11.997 1.237 868 HG LEU 112 HG LEU 112 5.284 -11.633 2.727 869 HD11 LEU 112 1HD1 LEU 112 7.795 -11.138 4.368 870 HD12 LEU 112 2HD1 LEU 112 6.288 -11.875 4.942 871 HD13 LEU 112 3HD1 LEU 112 7.286 -12.715 3.738 872 HD21 LEU 112 3HD2 LEU 112 6.264 -9.049 3.718 873 HD22 LEU 112 1HD2 LEU 112 5.000 -9.379 2.475 874 HD23 LEU 112 2HD2 LEU 112 4.795 -9.979 4.131 875 H ASP 113 H ASP 113 10.289 -11.559 0.377 876 HA ASP 113 HA ASP 113 9.868 -10.139 -2.179 877 HB2 ASP 113 1HB ASP 113 11.690 -12.403 -1.376 878 HB3 ASP 113 2HB ASP 113 11.269 -12.190 -3.046 879 H GLU 114 H GLU 114 9.423 -11.796 -3.994 880 HA GLU 114 HA GLU 114 6.646 -11.862 -3.752 881 HB2 GLU 114 1HB GLU 114 7.909 -11.342 -5.771 882 HB3 GLU 114 2HB GLU 114 8.366 -13.050 -5.956 883 HG2 GLU 114 1HG GLU 114 6.118 -13.674 -6.504 884 HG3 GLU 114 2HG GLU 114 5.458 -12.173 -5.848 885 H GLN 115 H GLN 115 8.813 -14.766 -3.981 886 HA GLN 115 HA GLN 115 6.791 -16.695 -3.880 887 HB2 GLN 115 1HB GLN 115 9.428 -16.635 -4.318 888 HB3 GLN 115 2HB GLN 115 9.524 -17.031 -2.599 889 HG2 GLN 115 1HG GLN 115 8.595 -19.126 -2.935 890 HG3 GLN 115 2HG GLN 115 7.757 -18.616 -4.421 891 HE21 GLN 115 1HE2 GLN 115 8.901 -18.449 -6.422 892 HE22 GLN 115 2HE2 GLN 115 10.501 -19.120 -6.641 893 H ALA 116 H ALA 116 8.495 -14.865 -1.370 894 HA ALA 116 HA ALA 116 7.389 -16.361 0.860 895 HB1 ALA 116 1HB ALA 116 9.573 -15.243 1.036 896 HB2 ALA 116 2HB ALA 116 8.822 -13.657 0.752 897 HB3 ALA 116 3HB ALA 116 8.442 -14.577 2.227 898 H TYR 117 H TYR 117 6.585 -13.254 -0.844 899 HA TYR 117 HA TYR 117 4.393 -12.534 0.775 900 HB2 TYR 117 1HB TYR 117 5.097 -11.026 -0.917 901 HB3 TYR 117 2HB TYR 117 4.989 -12.222 -2.180 902 HD1 TYR 117 2HD TYR 117 2.754 -10.522 0.335 903 HD2 TYR 117 1HD TYR 117 3.129 -12.339 -3.561 904 HE1 TYR 117 2HE TYR 117 0.435 -9.908 -0.138 905 HE2 TYR 117 1HE TYR 117 0.771 -11.829 -4.042 906 HH TYR 117 HH TYR 117 -1.156 -10.729 -3.306 907 H GLN 118 H GLN 118 4.531 -14.736 -2.047 908 HA GLN 118 HA GLN 118 1.826 -15.504 -2.049 909 HB2 GLN 118 1HB GLN 118 2.723 -16.226 -3.914 910 HB3 GLN 118 2HB GLN 118 4.351 -16.368 -3.273 911 HG2 GLN 118 1HG GLN 118 4.082 -18.544 -2.524 912 HG3 GLN 118 2HG GLN 118 2.327 -18.496 -2.602 913 HE21 GLN 118 1HE2 GLN 118 3.923 -20.542 -3.791 914 HE22 GLN 118 2HE2 GLN 118 3.613 -20.471 -5.521 915 H GLU 119 H GLU 119 4.584 -17.093 -0.318 916 HA GLU 119 HA GLU 119 3.249 -18.979 1.110 917 HB2 GLU 119 1HB GLU 119 5.746 -18.349 0.955 918 HB3 GLU 119 2HB GLU 119 5.435 -17.206 2.264 919 HG2 GLU 119 1HG GLU 119 4.518 -19.154 3.600 920 HG3 GLU 119 2HG GLU 119 5.129 -20.196 2.300 921 H PHE 120 H PHE 120 3.755 -15.554 2.266 922 HA PHE 120 HA PHE 120 2.205 -15.936 4.641 923 HB2 PHE 120 1HB PHE 120 3.942 -14.126 4.123 924 HB3 PHE 120 2HB PHE 120 2.665 -13.276 3.252 925 HD1 PHE 120 2HD PHE 120 3.747 -14.611 6.566 926 HD2 PHE 120 1HD PHE 120 0.951 -12.034 4.529 927 HE1 PHE 120 2HE PHE 120 2.793 -13.915 8.732 928 HE2 PHE 120 1HE PHE 120 -0.088 -11.469 6.689 929 HZ PHE 120 HZ PHE 120 0.904 -12.277 8.802 930 H CYS 121 H CYS 121 1.313 -14.880 1.371 931 HA CYS 121 HA CYS 121 -1.370 -14.059 1.974 932 HB2 CYS 121 1HB CYS 121 0.127 -13.493 -0.070 933 HB3 CYS 121 2HB CYS 121 -0.290 -15.101 -0.689 934 HG CYS 121 HG CYS 121 -2.783 -14.789 -0.854 935 H ALA 122 H ALA 122 0.102 -17.183 1.174 936 HA ALA 122 HA ALA 122 -2.401 -18.602 0.816 937 HB1 ALA 122 1HB ALA 122 0.420 -19.642 1.328 938 HB2 ALA 122 2HB ALA 122 -0.974 -20.577 0.740 939 HB3 ALA 122 3HB ALA 122 -0.278 -19.302 -0.277 940 H GLN 123 H GLN 123 -1.001 -17.266 3.594 941 HA GLN 123 HA GLN 123 -2.125 -19.356 5.372 942 HB2 GLN 123 1HB GLN 123 -0.733 -16.731 6.048 943 HB3 GLN 123 2HB GLN 123 -1.388 -17.898 7.194 944 HG2 GLN 123 1HG GLN 123 0.104 -19.656 6.236 945 HG3 GLN 123 2HG GLN 123 0.864 -18.420 5.229 946 HE21 GLN 123 1HE2 GLN 123 0.039 -17.142 8.319 947 HE22 GLN 123 2HE2 GLN 123 1.403 -17.697 9.231 948 H GLU 124 H GLU 124 -3.409 -16.849 3.440 949 HA GLU 124 HA GLU 124 -5.760 -16.877 5.198 950 HB2 GLU 124 1HB GLU 124 -4.465 -14.790 5.755 951 HB3 GLU 124 2HB GLU 124 -4.618 -14.301 4.089 952 HG2 GLU 124 1HG GLU 124 -7.034 -14.159 4.261 953 HG3 GLU 124 2HG GLU 124 -7.016 -14.987 5.823 Start of MODEL 19 1 H1 MET 1 H MET 1 16.264 1.546 -6.676 2 HA MET 1 HA MET 1 15.964 1.011 -9.020 3 HB2 MET 1 1HB MET 1 15.810 -1.760 -7.905 4 HB3 MET 1 2HB MET 1 16.872 -1.106 -9.118 5 HG2 MET 1 1HG MET 1 18.284 -0.098 -7.333 6 HG3 MET 1 2HG MET 1 17.164 -0.721 -6.121 7 HE1 MET 1 3HE MET 1 20.296 -1.249 -7.942 8 HE2 MET 1 1HE MET 1 20.468 -2.983 -8.279 9 HE3 MET 1 2HE MET 1 19.340 -2.002 -9.244 10 H LYS 2 H LYS 2 14.698 -0.449 -10.614 11 HA LYS 2 HA LYS 2 11.846 -0.458 -10.008 12 HB2 LYS 2 1HB LYS 2 13.464 -1.767 -12.251 13 HB3 LYS 2 2HB LYS 2 11.726 -1.954 -12.056 14 HG2 LYS 2 1HG LYS 2 11.814 -0.264 -13.587 15 HG3 LYS 2 2HG LYS 2 11.570 0.613 -12.077 16 HD2 LYS 2 1HD LYS 2 13.978 1.199 -12.023 17 HD3 LYS 2 2HD LYS 2 14.254 0.228 -13.486 18 HE2 LYS 2 1HE LYS 2 12.680 1.682 -14.741 19 HE3 LYS 2 2HE LYS 2 12.402 2.643 -13.286 20 HZ1 LYS 2 3HZ LYS 2 14.003 3.609 -14.823 21 HZ2 LYS 2 1HZ LYS 2 14.622 3.362 -13.322 22 HZ3 LYS 2 2HZ LYS 2 15.047 2.354 -14.553 23 H MET 3 H MET 3 11.388 -1.658 -8.104 24 HA MET 3 HA MET 3 11.655 -4.559 -8.296 25 HB2 MET 3 1HB MET 3 12.826 -4.743 -6.147 26 HB3 MET 3 2HB MET 3 13.833 -3.925 -7.344 27 HG2 MET 3 1HG MET 3 12.672 -1.806 -6.179 28 HG3 MET 3 2HG MET 3 12.577 -2.928 -4.819 29 HE1 MET 3 3HE MET 3 15.528 -4.492 -5.531 30 HE2 MET 3 1HE MET 3 16.481 -3.585 -4.330 31 HE3 MET 3 2HE MET 3 14.847 -4.152 -3.922 32 H LYS 4 H LYS 4 10.320 -5.640 -6.691 33 HA LYS 4 HA LYS 4 8.200 -3.903 -5.515 34 HB2 LYS 4 1HB LYS 4 7.602 -4.012 -7.709 35 HB3 LYS 4 2HB LYS 4 8.078 -5.684 -7.937 36 HG2 LYS 4 1HG LYS 4 5.761 -5.062 -6.093 37 HG3 LYS 4 2HG LYS 4 5.565 -4.853 -7.820 38 HD2 LYS 4 1HD LYS 4 6.621 -7.317 -7.924 39 HD3 LYS 4 2HD LYS 4 5.965 -7.401 -6.288 40 HE2 LYS 4 1HE LYS 4 4.487 -6.865 -8.885 41 HE3 LYS 4 2HE LYS 4 4.365 -8.288 -7.848 42 HZ1 LYS 4 3HZ LYS 4 3.317 -5.601 -7.431 43 HZ2 LYS 4 1HZ LYS 4 2.537 -7.043 -7.368 44 HZ3 LYS 4 2HZ LYS 4 3.555 -6.591 -6.123 45 H LYS 5 H LYS 5 8.520 -4.540 -3.460 46 HA LYS 5 HA LYS 5 8.277 -7.424 -2.807 47 HB2 LYS 5 1HB LYS 5 9.278 -5.017 -1.302 48 HB3 LYS 5 2HB LYS 5 8.725 -6.412 -0.400 49 HG2 LYS 5 1HG LYS 5 10.646 -6.950 -2.659 50 HG3 LYS 5 2HG LYS 5 11.272 -6.127 -1.215 51 HD2 LYS 5 1HD LYS 5 10.152 -8.079 0.091 52 HD3 LYS 5 2HD LYS 5 10.083 -8.892 -1.481 53 HE2 LYS 5 1HE LYS 5 12.582 -7.776 -0.185 54 HE3 LYS 5 2HE LYS 5 12.079 -9.456 -0.002 55 HZ1 LYS 5 3HZ LYS 5 13.753 -8.852 -1.806 56 HZ2 LYS 5 1HZ LYS 5 12.528 -9.897 -2.220 57 HZ3 LYS 5 2HZ LYS 5 12.509 -8.278 -2.660 58 H TYR 6 H TYR 6 6.956 -7.840 -0.749 59 HA TYR 6 HA TYR 6 4.330 -6.431 -0.776 60 HB2 TYR 6 1HB TYR 6 5.026 -9.360 -0.406 61 HB3 TYR 6 2HB TYR 6 3.414 -8.699 -0.167 62 HD1 TYR 6 2HD TYR 6 6.014 -9.475 -2.689 63 HD2 TYR 6 1HD TYR 6 1.959 -8.184 -2.012 64 HE1 TYR 6 2HE TYR 6 5.521 -9.849 -5.046 65 HE2 TYR 6 1HE TYR 6 1.396 -8.696 -4.382 66 HH TYR 6 HH TYR 6 3.827 -9.990 -6.702 67 H THR 7 H THR 7 3.178 -7.436 1.557 68 HA THR 7 HA THR 7 5.188 -7.280 3.699 69 HB THR 7 HB THR 7 3.577 -5.795 4.892 70 HG1 THR 7 1HG THR 7 2.297 -5.479 2.414 71 HG21 THR 7 3HG2 THR 7 4.302 -4.537 2.210 72 HG22 THR 7 1HG2 THR 7 3.890 -3.721 3.734 73 HG23 THR 7 2HG2 THR 7 5.388 -4.662 3.618 74 H LYS 8 H LYS 8 3.850 -7.694 5.782 75 HA LYS 8 HA LYS 8 2.145 -10.100 5.499 76 HB2 LYS 8 1HB LYS 8 2.959 -8.692 8.078 77 HB3 LYS 8 2HB LYS 8 2.250 -10.273 7.905 78 HG2 LYS 8 1HG LYS 8 4.260 -11.133 6.835 79 HG3 LYS 8 2HG LYS 8 4.988 -9.522 6.782 80 HD2 LYS 8 1HD LYS 8 6.018 -10.490 8.600 81 HD3 LYS 8 2HD LYS 8 4.767 -9.497 9.360 82 HE2 LYS 8 1HE LYS 8 3.690 -11.320 10.187 83 HE3 LYS 8 2HE LYS 8 3.687 -12.071 8.582 84 HZ1 LYS 8 3HZ LYS 8 6.003 -12.812 9.045 85 HZ2 LYS 8 1HZ LYS 8 5.913 -12.112 10.517 86 HZ3 LYS 8 2HZ LYS 8 4.971 -13.404 10.209 87 H THR 9 H THR 9 1.401 -6.892 4.939 88 HA THR 9 HA THR 9 -1.201 -7.062 6.367 89 HB THR 9 HB THR 9 -1.019 -4.572 6.502 90 HG1 THR 9 1HG THR 9 0.485 -3.742 5.272 91 HG21 THR 9 3HG2 THR 9 0.618 -4.520 8.337 92 HG22 THR 9 1HG2 THR 9 -0.391 -5.975 8.418 93 HG23 THR 9 2HG2 THR 9 1.286 -6.074 7.831 94 H HIS 10 H HIS 10 -0.872 -8.329 3.907 95 HA HIS 10 HA HIS 10 -1.586 -8.378 1.752 96 HB2 HIS 10 1HB HIS 10 -4.047 -7.817 1.653 97 HB3 HIS 10 2HB HIS 10 -3.548 -8.953 2.903 98 HD1 HIS 10 1HD HIS 10 -4.121 -5.169 2.611 99 HD2 HIS 10 2HD HIS 10 -4.414 -8.359 5.338 100 HE1 HIS 10 1HE HIS 10 -5.356 -4.250 4.704 101 HE2 HIS 10 2HE HIS 10 -5.611 -6.203 6.316 102 H GLU 11 H GLU 11 0.166 -6.716 1.339 103 HA GLU 11 HA GLU 11 -0.801 -4.186 0.175 104 HB2 GLU 11 1HB GLU 11 0.221 -4.592 2.840 105 HB3 GLU 11 2HB GLU 11 1.445 -3.777 1.912 106 HG2 GLU 11 1HG GLU 11 -0.331 -2.047 1.329 107 HG3 GLU 11 2HG GLU 11 -1.400 -2.896 2.467 108 H TRP 12 H TRP 12 0.518 -3.508 -1.461 109 HA TRP 12 HA TRP 12 2.981 -5.064 -2.060 110 HB2 TRP 12 1HB TRP 12 2.527 -4.533 -4.431 111 HB3 TRP 12 2HB TRP 12 1.304 -5.579 -3.723 112 HD1 TRP 12 HD TRP 12 -1.140 -4.686 -3.712 113 HE1 TRP 12 1HE TRP 12 -2.340 -2.635 -4.587 114 HE3 TRP 12 3HE TRP 12 2.935 -2.003 -5.281 115 HZ2 TRP 12 2HZ TRP 12 -1.619 -0.094 -5.721 116 HZ3 TRP 12 3HZ TRP 12 2.570 0.148 -6.464 117 HH2 TRP 12 HH TRP 12 0.332 1.098 -6.711 118 H VAL 13 H VAL 13 4.602 -3.833 -3.191 119 HA VAL 13 HA VAL 13 4.676 -0.938 -2.600 120 HB VAL 13 HB VAL 13 7.093 -2.743 -2.190 121 HG11 VAL 13 1HG1 VAL 13 7.474 -0.422 -2.081 122 HG12 VAL 13 2HG1 VAL 13 6.117 -0.144 -0.965 123 HG13 VAL 13 3HG1 VAL 13 7.560 -1.039 -0.442 124 HG21 VAL 13 3HG2 VAL 13 4.979 -2.406 -0.018 125 HG22 VAL 13 1HG2 VAL 13 5.453 -3.935 -0.744 126 HG23 VAL 13 2HG2 VAL 13 6.619 -3.055 0.222 127 H SER 14 H SER 14 5.590 0.110 -4.316 128 HA SER 14 HA SER 14 6.827 -1.478 -6.542 129 HB2 SER 14 1HB SER 14 4.555 0.435 -6.324 130 HB3 SER 14 2HB SER 14 5.606 0.686 -7.689 131 HG SER 14 HG SER 14 5.361 -1.638 -8.086 132 H ILE 15 H ILE 15 8.928 -0.936 -5.695 133 HA ILE 15 HA ILE 15 9.673 1.857 -5.382 134 HB ILE 15 HB ILE 15 11.257 -0.710 -5.333 135 HG12 ILE 15 1HG1 ILE 15 11.485 0.221 -2.820 136 HG13 ILE 15 2HG1 ILE 15 9.914 0.860 -3.189 137 HG21 ILE 15 1HG2 ILE 15 12.116 2.089 -4.494 138 HG22 ILE 15 2HG2 ILE 15 13.108 0.597 -4.417 139 HG23 ILE 15 3HG2 ILE 15 12.657 1.293 -5.969 140 HD11 ILE 15 3HD1 ILE 15 10.651 -2.081 -3.504 141 HD12 ILE 15 1HD1 ILE 15 9.955 -1.371 -2.035 142 HD13 ILE 15 2HD1 ILE 15 9.024 -1.384 -3.557 143 H GLU 16 H GLU 16 10.648 3.061 -6.944 144 HA GLU 16 HA GLU 16 11.214 1.821 -9.600 145 HB2 GLU 16 1HB GLU 16 10.382 3.943 -10.603 146 HB3 GLU 16 2HB GLU 16 9.176 2.885 -9.902 147 HG2 GLU 16 1HG GLU 16 8.785 4.314 -8.044 148 HG3 GLU 16 2HG GLU 16 10.208 5.301 -8.359 149 H ASP 17 H ASP 17 11.773 5.247 -8.882 150 HA ASP 17 HA ASP 17 14.686 4.855 -9.212 151 HB2 ASP 17 1HB ASP 17 13.181 6.790 -10.167 152 HB3 ASP 17 2HB ASP 17 13.367 7.530 -8.618 153 H LYS 18 H LYS 18 13.047 6.969 -6.994 154 HA LYS 18 HA LYS 18 14.283 5.681 -4.577 155 HB2 LYS 18 1HB LYS 18 13.865 8.665 -5.013 156 HB3 LYS 18 2HB LYS 18 14.854 7.876 -3.782 157 HG2 LYS 18 1HG LYS 18 16.453 7.158 -5.564 158 HG3 LYS 18 2HG LYS 18 15.442 7.989 -6.770 159 HD2 LYS 18 1HD LYS 18 15.731 10.105 -5.430 160 HD3 LYS 18 2HD LYS 18 16.996 9.268 -4.528 161 HE2 LYS 18 1HE LYS 18 16.899 9.567 -7.563 162 HE3 LYS 18 2HE LYS 18 17.771 10.691 -6.516 163 HZ1 LYS 18 3HZ LYS 18 19.185 9.027 -7.511 164 HZ2 LYS 18 1HZ LYS 18 19.223 8.926 -5.859 165 HZ3 LYS 18 2HZ LYS 18 18.370 7.827 -6.763 166 H VAL 19 H VAL 19 11.453 5.947 -6.003 167 HA VAL 19 HA VAL 19 9.994 6.626 -3.501 168 HB VAL 19 HB VAL 19 9.269 7.194 -6.401 169 HG11 VAL 19 1HG1 VAL 19 7.162 8.140 -5.652 170 HG12 VAL 19 2HG1 VAL 19 7.204 6.426 -5.258 171 HG13 VAL 19 3HG1 VAL 19 7.469 7.654 -3.988 172 HG21 VAL 19 3HG2 VAL 19 9.076 9.544 -5.577 173 HG22 VAL 19 1HG2 VAL 19 9.602 9.021 -3.973 174 HG23 VAL 19 2HG2 VAL 19 10.707 8.904 -5.358 175 H ALA 20 H ALA 20 8.277 5.200 -3.004 176 HA ALA 20 HA ALA 20 7.849 2.918 -4.837 177 HB1 ALA 20 1HB ALA 20 7.003 2.692 -1.970 178 HB2 ALA 20 2HB ALA 20 7.429 1.411 -3.138 179 HB3 ALA 20 3HB ALA 20 8.700 2.374 -2.356 180 H THR 21 H THR 21 5.734 2.707 -5.491 181 HA THR 21 HA THR 21 3.643 4.413 -4.230 182 HB THR 21 HB THR 21 3.412 2.307 -6.425 183 HG1 THR 21 1HG THR 21 4.438 4.209 -7.189 184 HG21 THR 21 3HG2 THR 21 1.162 3.285 -6.753 185 HG22 THR 21 1HG2 THR 21 1.309 2.614 -5.126 186 HG23 THR 21 2HG2 THR 21 1.409 4.364 -5.367 187 H VAL 22 H VAL 22 2.508 3.646 -2.540 188 HA VAL 22 HA VAL 22 2.534 0.804 -1.744 189 HB VAL 22 HB VAL 22 1.493 3.336 -0.367 190 HG11 VAL 22 1HG1 VAL 22 1.551 1.946 1.704 191 HG12 VAL 22 2HG1 VAL 22 0.411 1.321 0.519 192 HG13 VAL 22 3HG1 VAL 22 1.989 0.540 0.722 193 HG21 VAL 22 3HG2 VAL 22 3.520 3.137 1.090 194 HG22 VAL 22 1HG2 VAL 22 4.166 1.917 -0.035 195 HG23 VAL 22 2HG2 VAL 22 3.889 3.591 -0.566 196 H GLY 23 H GLY 23 0.662 -0.476 -1.967 197 HA2 GLY 23 1HA GLY 23 -1.878 0.720 -1.540 198 HA3 GLY 23 2HA GLY 23 -1.803 0.146 -3.166 199 H ILE 24 H ILE 24 -3.674 -1.154 -1.793 200 HA ILE 24 HA ILE 24 -2.548 -3.445 -0.315 201 HB ILE 24 HB ILE 24 -4.898 -4.096 0.047 202 HG12 ILE 24 1HG1 ILE 24 -5.718 -1.287 -0.709 203 HG13 ILE 24 2HG1 ILE 24 -5.749 -2.575 -1.914 204 HG21 ILE 24 1HG2 ILE 24 -3.546 -2.949 1.736 205 HG22 ILE 24 2HG2 ILE 24 -4.042 -1.376 1.088 206 HG23 ILE 24 3HG2 ILE 24 -5.237 -2.447 1.847 207 HD11 ILE 24 3HD1 ILE 24 -7.170 -2.999 0.728 208 HD12 ILE 24 1HD1 ILE 24 -7.937 -2.095 -0.582 209 HD13 ILE 24 2HD1 ILE 24 -7.453 -3.763 -0.853 210 H THR 25 H THR 25 -3.103 -5.686 -0.929 211 HA THR 25 HA THR 25 -2.886 -6.025 -3.835 212 HB THR 25 HB THR 25 -2.611 -8.448 -3.080 213 HG1 THR 25 1HG THR 25 -2.344 -8.837 -0.963 214 HG21 THR 25 3HG2 THR 25 -0.707 -6.397 -1.878 215 HG22 THR 25 1HG2 THR 25 -0.353 -8.111 -2.169 216 HG23 THR 25 2HG2 THR 25 -0.663 -7.037 -3.539 217 H ASN 26 H ASN 26 -4.121 -7.893 -4.820 218 HA ASN 26 HA ASN 26 -6.856 -7.389 -4.837 219 HB2 ASN 26 1HB ASN 26 -5.252 -8.790 -6.455 220 HB3 ASN 26 2HB ASN 26 -5.931 -10.147 -5.570 221 HD21 ASN 26 1HD2 ASN 26 -6.510 -7.615 -7.892 222 HD22 ASN 26 2HD2 ASN 26 -8.144 -8.091 -8.313 223 H HIS 27 H HIS 27 -5.094 -9.777 -2.891 224 HA HIS 27 HA HIS 27 -7.188 -11.244 -1.762 225 HB2 HIS 27 1HB HIS 27 -4.703 -11.557 -1.611 226 HB3 HIS 27 2HB HIS 27 -4.625 -10.268 -0.413 227 HD1 HIS 27 1HD HIS 27 -5.677 -13.954 -0.841 228 HD2 HIS 27 2HD HIS 27 -5.295 -10.926 2.113 229 HE1 HIS 27 1HE HIS 27 -5.633 -15.125 1.435 230 HE2 HIS 27 2HE HIS 27 -5.265 -13.307 3.201 231 H ALA 28 H ALA 28 -6.183 -7.900 -0.974 232 HA ALA 28 HA ALA 28 -7.702 -7.811 1.493 233 HB1 ALA 28 1HB ALA 28 -7.122 -5.422 1.392 234 HB2 ALA 28 2HB ALA 28 -5.701 -6.444 1.074 235 HB3 ALA 28 3HB ALA 28 -6.522 -5.651 -0.273 236 H GLN 29 H GLN 29 -8.248 -6.629 -1.913 237 HA GLN 29 HA GLN 29 -10.786 -5.442 -1.296 238 HB2 GLN 29 1HB GLN 29 -11.232 -5.368 -3.674 239 HB3 GLN 29 2HB GLN 29 -9.678 -4.692 -3.217 240 HG2 GLN 29 1HG GLN 29 -9.297 -5.704 -5.238 241 HG3 GLN 29 2HG GLN 29 -8.648 -6.814 -4.084 242 HE21 GLN 29 1HE2 GLN 29 -9.645 -8.911 -3.994 243 HE22 GLN 29 2HE2 GLN 29 -10.938 -9.395 -5.076 244 H GLU 30 H GLU 30 -9.821 -8.793 -1.922 245 HA GLU 30 HA GLU 30 -12.342 -9.905 -2.420 246 HB2 GLU 30 1HB GLU 30 -9.602 -10.756 -1.837 247 HB3 GLU 30 2HB GLU 30 -10.754 -11.775 -0.980 248 HG2 GLU 30 1HG GLU 30 -11.921 -12.248 -3.073 249 HG3 GLU 30 2HG GLU 30 -10.873 -11.150 -3.963 250 H GLN 31 H GLN 31 -11.026 -8.603 0.546 251 HA GLN 31 HA GLN 31 -13.149 -9.962 2.131 252 HB2 GLN 31 1HB GLN 31 -10.823 -8.295 3.100 253 HB3 GLN 31 2HB GLN 31 -11.957 -9.247 4.077 254 HG2 GLN 31 1HG GLN 31 -11.144 -11.308 2.775 255 HG3 GLN 31 2HG GLN 31 -9.850 -10.281 2.138 256 HE21 GLN 31 1HE2 GLN 31 -9.372 -8.744 4.623 257 HE22 GLN 31 2HE2 GLN 31 -8.578 -9.852 5.692 258 H LEU 32 H LEU 32 -11.952 -6.651 1.234 259 HA LEU 32 HA LEU 32 -14.053 -5.431 2.884 260 HB2 LEU 32 1HB LEU 32 -12.028 -4.176 0.979 261 HB3 LEU 32 2HB LEU 32 -13.236 -3.292 1.888 262 HG LEU 32 HG LEU 32 -10.803 -4.718 2.960 263 HD11 LEU 32 1HD1 LEU 32 -10.585 -2.359 2.255 264 HD12 LEU 32 2HD1 LEU 32 -11.947 -1.902 3.299 265 HD13 LEU 32 3HD1 LEU 32 -10.460 -2.484 4.017 266 HD21 LEU 32 3HD2 LEU 32 -12.578 -5.423 4.497 267 HD22 LEU 32 1HD2 LEU 32 -11.572 -4.201 5.267 268 HD23 LEU 32 2HD2 LEU 32 -13.159 -3.742 4.627 269 H GLY 33 H GLY 33 -13.859 -6.371 -0.505 270 HA2 GLY 33 1HA GLY 33 -15.393 -6.185 -2.175 271 HA3 GLY 33 2HA GLY 33 -16.627 -5.979 -0.927 272 H ASP 34 H ASP 34 -17.701 -4.147 -1.086 273 HA ASP 34 HA ASP 34 -17.117 -2.545 -3.363 274 HB2 ASP 34 1HB ASP 34 -19.410 -2.796 -1.332 275 HB3 ASP 34 2HB ASP 34 -19.538 -1.617 -2.607 276 H VAL 35 H VAL 35 -15.360 -1.859 -1.644 277 HA VAL 35 HA VAL 35 -15.471 -1.000 0.531 278 HB VAL 35 HB VAL 35 -14.113 0.954 -1.373 279 HG11 VAL 35 1HG1 VAL 35 -14.102 1.472 1.159 280 HG12 VAL 35 2HG1 VAL 35 -13.271 -0.066 1.326 281 HG13 VAL 35 3HG1 VAL 35 -12.529 1.272 0.386 282 HG21 VAL 35 3HG2 VAL 35 -13.420 -1.272 -1.983 283 HG22 VAL 35 1HG2 VAL 35 -12.097 -0.427 -1.166 284 HG23 VAL 35 2HG2 VAL 35 -13.036 -1.670 -0.294 285 H VAL 36 H VAL 36 -15.187 2.177 -0.186 286 HA VAL 36 HA VAL 36 -17.664 3.302 -0.105 287 HB VAL 36 HB VAL 36 -17.487 1.769 2.174 288 HG11 VAL 36 1HG1 VAL 36 -16.979 2.651 4.090 289 HG12 VAL 36 2HG1 VAL 36 -15.562 2.731 3.001 290 HG13 VAL 36 3HG1 VAL 36 -16.517 4.223 3.377 291 HG21 VAL 36 3HG2 VAL 36 -18.933 4.365 1.977 292 HG22 VAL 36 1HG2 VAL 36 -19.442 2.753 1.359 293 HG23 VAL 36 2HG2 VAL 36 -19.257 3.002 3.116 294 H TYR 37 H TYR 37 -14.444 3.377 1.408 295 HA TYR 37 HA TYR 37 -13.968 6.163 0.584 296 HB2 TYR 37 1HB TYR 37 -15.555 6.415 2.505 297 HB3 TYR 37 2HB TYR 37 -14.513 5.405 3.491 298 HD1 TYR 37 2HD TYR 37 -14.108 8.485 1.302 299 HD2 TYR 37 1HD TYR 37 -13.181 6.519 5.046 300 HE1 TYR 37 2HE TYR 37 -12.715 10.404 1.983 301 HE2 TYR 37 1HE TYR 37 -11.769 8.405 5.705 302 HH TYR 37 HH TYR 37 -11.011 10.592 5.114 303 H VAL 38 H VAL 38 -11.851 6.984 1.380 304 HA VAL 38 HA VAL 38 -10.036 5.171 2.737 305 HB VAL 38 HB VAL 38 -9.834 5.933 -0.184 306 HG11 VAL 38 1HG1 VAL 38 -7.704 6.852 0.779 307 HG12 VAL 38 2HG1 VAL 38 -7.399 5.282 1.544 308 HG13 VAL 38 3HG1 VAL 38 -7.419 5.486 -0.213 309 HG21 VAL 38 3HG2 VAL 38 -10.640 3.779 0.108 310 HG22 VAL 38 1HG2 VAL 38 -8.941 3.632 -0.357 311 HG23 VAL 38 2HG2 VAL 38 -9.360 3.476 1.349 312 H ASP 39 H ASP 39 -8.405 6.005 3.654 313 HA ASP 39 HA ASP 39 -8.468 8.889 4.050 314 HB2 ASP 39 1HB ASP 39 -8.907 7.759 6.222 315 HB3 ASP 39 2HB ASP 39 -8.011 6.375 5.726 316 H LEU 40 H LEU 40 -6.521 10.069 3.944 317 HA LEU 40 HA LEU 40 -4.217 8.577 2.836 318 HB2 LEU 40 1HB LEU 40 -5.606 11.024 1.644 319 HB3 LEU 40 2HB LEU 40 -4.018 10.497 1.183 320 HG LEU 40 HG LEU 40 -5.267 9.696 -0.471 321 HD11 LEU 40 1HD1 LEU 40 -3.860 7.894 0.414 322 HD12 LEU 40 2HD1 LEU 40 -5.336 7.177 1.080 323 HD13 LEU 40 3HD1 LEU 40 -5.196 7.415 -0.656 324 HD21 LEU 40 3HD2 LEU 40 -7.576 8.968 1.141 325 HD22 LEU 40 1HD2 LEU 40 -7.329 10.337 0.043 326 HD23 LEU 40 2HD2 LEU 40 -7.308 8.703 -0.631 327 HA PRO 41 HA PRO 41 -1.977 11.443 5.397 328 HB2 PRO 41 1HB PRO 41 0.561 11.189 4.343 329 HB3 PRO 41 2HB PRO 41 -0.273 9.959 5.308 330 HG2 PRO 41 1HG PRO 41 0.158 10.014 2.341 331 HG3 PRO 41 2HG PRO 41 -0.001 8.621 3.451 332 HD2 PRO 41 1HD PRO 41 -1.990 9.715 1.756 333 HD3 PRO 41 2HD PRO 41 -2.189 8.486 3.018 334 H GLU 42 H GLU 42 -0.133 13.269 5.245 335 HA GLU 42 HA GLU 42 -0.781 15.164 3.126 336 HB2 GLU 42 1HB GLU 42 -0.381 15.708 5.639 337 HB3 GLU 42 2HB GLU 42 1.336 15.500 5.296 338 HG2 GLU 42 1HG GLU 42 -0.325 17.197 3.425 339 HG3 GLU 42 2HG GLU 42 -0.018 17.792 5.054 340 H VAL 43 H VAL 43 1.008 16.080 1.890 341 HA VAL 43 HA VAL 43 2.323 13.900 0.596 342 HB VAL 43 HB VAL 43 0.857 16.097 -0.094 343 HG11 VAL 43 1HG1 VAL 43 2.064 17.828 -1.090 344 HG12 VAL 43 2HG1 VAL 43 2.878 17.585 0.456 345 HG13 VAL 43 3HG1 VAL 43 3.595 16.936 -1.034 346 HG21 VAL 43 3HG2 VAL 43 1.294 14.104 -1.486 347 HG22 VAL 43 1HG2 VAL 43 1.278 15.637 -2.380 348 HG23 VAL 43 2HG2 VAL 43 2.825 14.875 -1.987 349 H GLY 44 H GLY 44 3.455 14.902 3.029 350 HA2 GLY 44 1HA GLY 44 6.315 14.920 2.460 351 HA3 GLY 44 2HA GLY 44 5.721 16.454 3.113 352 H ARG 45 H ARG 45 3.965 13.656 4.218 353 HA ARG 45 HA ARG 45 4.873 14.173 6.941 354 HB2 ARG 45 1HB ARG 45 2.533 13.471 6.137 355 HB3 ARG 45 2HB ARG 45 3.166 11.822 6.051 356 HG2 ARG 45 1HG ARG 45 3.717 11.918 8.488 357 HG3 ARG 45 2HG ARG 45 3.168 13.615 8.536 358 HD2 ARG 45 1HD ARG 45 0.962 12.799 7.614 359 HD3 ARG 45 2HD ARG 45 1.515 11.145 7.899 360 HE ARG 45 HE ARG 45 1.584 11.556 10.249 361 HH11 ARG 45 2HH2 ARG 45 -0.696 13.447 8.341 362 HH12 ARG 45 1HH2 ARG 45 -1.462 14.250 9.650 363 HH21 ARG 45 2HH1 ARG 45 0.189 12.162 11.967 364 HH22 ARG 45 1HH1 ARG 45 -0.991 13.386 11.800 365 H GLU 46 H GLU 46 6.385 12.904 8.189 366 HA GLU 46 HA GLU 46 7.918 10.834 6.738 367 HB2 GLU 46 1HB GLU 46 8.199 12.267 9.424 368 HB3 GLU 46 2HB GLU 46 9.027 10.752 9.075 369 HG2 GLU 46 1HG GLU 46 9.842 11.877 6.892 370 HG3 GLU 46 2HG GLU 46 9.340 13.399 7.638 371 H VAL 47 H VAL 47 7.744 8.660 7.264 372 HA VAL 47 HA VAL 47 5.722 7.816 9.252 373 HB VAL 47 HB VAL 47 4.693 6.339 7.659 374 HG11 VAL 47 1HG1 VAL 47 3.870 8.692 7.889 375 HG12 VAL 47 2HG1 VAL 47 4.798 9.130 6.439 376 HG13 VAL 47 3HG1 VAL 47 3.493 7.945 6.324 377 HG21 VAL 47 3HG2 VAL 47 6.603 5.880 6.135 378 HG22 VAL 47 1HG2 VAL 47 5.148 6.373 5.263 379 HG23 VAL 47 2HG2 VAL 47 6.473 7.533 5.488 380 H LYS 48 H LYS 48 5.792 5.210 9.227 381 HA LYS 48 HA LYS 48 8.632 4.337 9.356 382 HB2 LYS 48 1HB LYS 48 6.278 3.857 11.246 383 HB3 LYS 48 2HB LYS 48 7.649 2.775 11.202 384 HG2 LYS 48 1HG LYS 48 7.892 5.740 11.788 385 HG3 LYS 48 2HG LYS 48 7.804 4.460 13.010 386 HD2 LYS 48 1HD LYS 48 9.853 3.400 11.890 387 HD3 LYS 48 2HD LYS 48 10.022 4.891 10.957 388 HE2 LYS 48 1HE LYS 48 10.091 4.614 13.987 389 HE3 LYS 48 2HE LYS 48 11.469 4.895 12.930 390 HZ1 LYS 48 3HZ LYS 48 10.392 7.007 12.268 391 HZ2 LYS 48 1HZ LYS 48 9.227 6.762 13.376 392 HZ3 LYS 48 2HZ LYS 48 10.793 6.972 13.864 393 H LYS 49 H LYS 49 8.813 2.027 9.148 394 HA LYS 49 HA LYS 49 7.389 0.724 7.116 395 HB2 LYS 49 1HB LYS 49 9.726 0.378 8.357 396 HB3 LYS 49 2HB LYS 49 8.798 -0.644 9.439 397 HG2 LYS 49 1HG LYS 49 8.108 -1.970 7.296 398 HG3 LYS 49 2HG LYS 49 9.268 -0.931 6.501 399 HD2 LYS 49 1HD LYS 49 10.961 -1.907 8.285 400 HD3 LYS 49 2HD LYS 49 9.758 -3.234 8.321 401 HE2 LYS 49 1HE LYS 49 9.833 -3.130 5.736 402 HE3 LYS 49 2HE LYS 49 11.176 -2.020 5.918 403 HZ1 LYS 49 3HZ LYS 49 12.075 -4.158 5.576 404 HZ2 LYS 49 1HZ LYS 49 12.323 -3.852 7.169 405 HZ3 LYS 49 2HZ LYS 49 11.118 -4.860 6.726 406 H GLY 50 H GLY 50 5.634 1.604 9.484 407 HA2 GLY 50 1HA GLY 50 3.734 -0.441 9.315 408 HA3 GLY 50 2HA GLY 50 4.524 -0.622 10.897 409 H GLU 51 H GLU 51 2.880 1.747 8.766 410 HA GLU 51 HA GLU 51 1.960 3.282 11.122 411 HB2 GLU 51 1HB GLU 51 4.208 3.933 9.514 412 HB3 GLU 51 2HB GLU 51 2.950 4.978 8.908 413 HG2 GLU 51 1HG GLU 51 3.290 4.795 11.907 414 HG3 GLU 51 2HG GLU 51 4.594 5.529 10.986 415 H VAL 52 H VAL 52 -0.189 3.522 10.882 416 HA VAL 52 HA VAL 52 -1.560 2.826 8.459 417 HB VAL 52 HB VAL 52 -2.534 1.798 10.112 418 HG11 VAL 52 1HG1 VAL 52 -1.274 2.339 11.932 419 HG12 VAL 52 2HG1 VAL 52 -1.910 4.016 12.006 420 HG13 VAL 52 3HG1 VAL 52 -2.941 2.635 12.425 421 HG21 VAL 52 3HG2 VAL 52 -4.146 4.330 10.560 422 HG22 VAL 52 1HG2 VAL 52 -4.326 3.287 9.132 423 HG23 VAL 52 2HG2 VAL 52 -4.682 2.684 10.771 424 H VAL 53 H VAL 53 -0.449 4.532 7.362 425 HA VAL 53 HA VAL 53 -1.772 7.161 7.708 426 HB VAL 53 HB VAL 53 -0.083 7.954 6.072 427 HG11 VAL 53 1HG1 VAL 53 1.159 6.607 8.484 428 HG12 VAL 53 2HG1 VAL 53 1.646 8.124 7.699 429 HG13 VAL 53 3HG1 VAL 53 0.134 8.042 8.602 430 HG21 VAL 53 3HG2 VAL 53 0.394 5.741 4.995 431 HG22 VAL 53 1HG2 VAL 53 1.832 6.628 5.502 432 HG23 VAL 53 2HG2 VAL 53 1.259 5.261 6.474 433 H ALA 54 H ALA 54 -2.782 4.411 6.243 434 HA ALA 54 HA ALA 54 -4.319 6.044 4.400 435 HB1 ALA 54 1HB ALA 54 -2.388 5.532 3.054 436 HB2 ALA 54 2HB ALA 54 -2.566 3.785 3.405 437 HB3 ALA 54 3HB ALA 54 -3.792 4.644 2.425 438 H SER 55 H SER 55 -5.705 5.214 6.333 439 HA SER 55 HA SER 55 -6.482 2.402 6.340 440 HB2 SER 55 1HB SER 55 -7.467 4.964 7.509 441 HB3 SER 55 2HB SER 55 -8.611 3.666 7.400 442 HG SER 55 HG SER 55 -7.635 3.707 9.343 443 H ILE 56 H ILE 56 -8.545 1.626 5.737 444 HA ILE 56 HA ILE 56 -9.965 2.976 3.523 445 HB ILE 56 HB ILE 56 -9.532 -0.015 3.555 446 HG12 ILE 56 1HG1 ILE 56 -7.458 1.786 2.392 447 HG13 ILE 56 2HG1 ILE 56 -7.208 0.631 3.718 448 HG21 ILE 56 1HG2 ILE 56 -9.539 1.435 0.971 449 HG22 ILE 56 2HG2 ILE 56 -10.514 0.062 1.517 450 HG23 ILE 56 3HG2 ILE 56 -10.964 1.728 1.930 451 HD11 ILE 56 3HD1 ILE 56 -7.906 -0.121 0.855 452 HD12 ILE 56 1HD1 ILE 56 -6.363 -0.318 1.669 453 HD13 ILE 56 2HD1 ILE 56 -7.769 -1.240 2.234 454 H GLU 57 H GLU 57 -11.989 3.293 4.486 455 HA GLU 57 HA GLU 57 -12.988 1.307 6.475 456 HB2 GLU 57 1HB GLU 57 -13.761 4.120 5.800 457 HB3 GLU 57 2HB GLU 57 -15.116 2.994 5.970 458 HG2 GLU 57 1HG GLU 57 -14.000 2.176 8.138 459 HG3 GLU 57 2HG GLU 57 -12.929 3.567 8.015 460 H SER 58 H SER 58 -15.190 0.288 5.809 461 HA SER 58 HA SER 58 -15.802 0.501 2.940 462 HB2 SER 58 1HB SER 58 -16.018 -1.829 2.539 463 HB3 SER 58 2HB SER 58 -14.379 -1.503 3.070 464 HG SER 58 HG SER 58 -15.912 -3.325 3.993 465 H VAL 59 H VAL 59 -17.999 -0.730 2.673 466 HA VAL 59 HA VAL 59 -20.043 0.393 4.041 467 HB VAL 59 HB VAL 59 -21.298 -1.665 3.026 468 HG11 VAL 59 1HG1 VAL 59 -20.711 -0.732 0.657 469 HG12 VAL 59 2HG1 VAL 59 -21.459 0.346 1.858 470 HG13 VAL 59 3HG1 VAL 59 -19.732 0.451 1.550 471 HG21 VAL 59 3HG2 VAL 59 -20.131 -2.951 1.413 472 HG22 VAL 59 1HG2 VAL 59 -18.623 -2.043 1.616 473 HG23 VAL 59 2HG2 VAL 59 -19.213 -3.115 2.921 474 H LYS 60 H LYS 60 -18.224 -2.332 5.399 475 HA LYS 60 HA LYS 60 -19.323 -1.451 7.744 476 HB2 LYS 60 1HB LYS 60 -21.189 -3.160 7.001 477 HB3 LYS 60 2HB LYS 60 -20.105 -4.398 7.591 478 HG2 LYS 60 1HG LYS 60 -20.161 -3.502 9.833 479 HG3 LYS 60 2HG LYS 60 -20.778 -1.954 9.288 480 HD2 LYS 60 1HD LYS 60 -22.298 -4.569 9.432 481 HD3 LYS 60 2HD LYS 60 -22.520 -3.128 10.422 482 HE2 LYS 60 1HE LYS 60 -23.182 -3.460 7.471 483 HE3 LYS 60 2HE LYS 60 -24.302 -3.189 8.801 484 HZ1 LYS 60 3HZ LYS 60 -22.314 -1.214 7.797 485 HZ2 LYS 60 1HZ LYS 60 -23.941 -1.144 7.605 486 HZ3 LYS 60 2HZ LYS 60 -23.290 -0.987 9.089 487 H ALA 61 H ALA 61 -16.691 -1.639 6.878 488 HA ALA 61 HA ALA 61 -15.600 -2.969 9.168 489 HB1 ALA 61 1HB ALA 61 -15.625 -4.914 7.641 490 HB2 ALA 61 2HB ALA 61 -14.758 -3.968 6.405 491 HB3 ALA 61 3HB ALA 61 -13.978 -4.372 7.943 492 H ALA 62 H ALA 62 -12.947 -2.797 8.653 493 HA ALA 62 HA ALA 62 -12.351 -0.662 6.886 494 HB1 ALA 62 1HB ALA 62 -12.593 0.576 9.079 495 HB2 ALA 62 2HB ALA 62 -11.354 -0.484 9.772 496 HB3 ALA 62 3HB ALA 62 -10.940 0.614 8.447 497 H ALA 63 H ALA 63 -9.918 -0.582 6.669 498 HA ALA 63 HA ALA 63 -8.378 -2.804 7.759 499 HB1 ALA 63 1HB ALA 63 -8.334 -2.042 4.797 500 HB2 ALA 63 2HB ALA 63 -7.171 -3.097 5.611 501 HB3 ALA 63 3HB ALA 63 -8.864 -3.619 5.462 502 H ASP 64 H ASP 64 -6.494 -1.925 8.476 503 HA ASP 64 HA ASP 64 -5.818 0.926 8.004 504 HB2 ASP 64 1HB ASP 64 -3.814 -0.664 9.382 505 HB3 ASP 64 2HB ASP 64 -4.739 0.686 9.987 506 H VAL 65 H VAL 65 -4.028 1.356 6.601 507 HA VAL 65 HA VAL 65 -2.794 -0.990 5.277 508 HB VAL 65 HB VAL 65 -3.044 1.825 4.285 509 HG11 VAL 65 1HG1 VAL 65 -1.909 1.098 2.272 510 HG12 VAL 65 2HG1 VAL 65 -0.889 0.644 3.615 511 HG13 VAL 65 3HG1 VAL 65 -1.914 -0.576 2.825 512 HG21 VAL 65 3HG2 VAL 65 -4.484 0.735 2.538 513 HG22 VAL 65 1HG2 VAL 65 -4.284 -0.827 3.397 514 HG23 VAL 65 2HG2 VAL 65 -5.135 0.510 4.158 515 H TYR 66 H TYR 66 -0.601 -1.232 6.058 516 HA TYR 66 HA TYR 66 0.290 0.938 7.897 517 HB2 TYR 66 1HB TYR 66 1.034 -2.021 7.866 518 HB3 TYR 66 2HB TYR 66 1.643 -0.809 8.978 519 HD1 TYR 66 2HD TYR 66 0.143 0.133 10.733 520 HD2 TYR 66 1HD TYR 66 -1.156 -2.969 8.065 521 HE1 TYR 66 2HE TYR 66 -1.592 -0.590 12.408 522 HE2 TYR 66 1HE TYR 66 -2.860 -3.709 9.678 523 HH TYR 66 HH TYR 66 -4.095 -2.686 11.550 524 H ALA 67 H ALA 67 1.682 2.131 6.727 525 HA ALA 67 HA ALA 67 2.836 1.814 4.381 526 HB1 ALA 67 1HB ALA 67 4.018 3.129 6.829 527 HB2 ALA 67 2HB ALA 67 4.819 3.263 5.265 528 HB3 ALA 67 3HB ALA 67 3.156 3.894 5.477 529 HA PRO 68 HA PRO 68 5.332 -1.785 4.674 530 HB2 PRO 68 1HB PRO 68 6.520 -1.844 2.198 531 HB3 PRO 68 2HB PRO 68 4.781 -2.121 2.460 532 HG2 PRO 68 1HG PRO 68 6.121 0.482 1.683 533 HG3 PRO 68 2HG PRO 68 4.729 -0.310 0.886 534 HD2 PRO 68 1HD PRO 68 4.268 1.612 2.690 535 HD3 PRO 68 2HD PRO 68 3.288 0.125 2.731 536 H LEU 69 H LEU 69 6.923 1.219 4.024 537 HA LEU 69 HA LEU 69 9.577 0.348 5.057 538 HB2 LEU 69 1HB LEU 69 8.967 2.087 2.634 539 HB3 LEU 69 2HB LEU 69 10.480 2.097 3.496 540 HG LEU 69 HG LEU 69 10.974 0.838 1.718 541 HD11 LEU 69 1HD1 LEU 69 11.494 -0.213 3.923 542 HD12 LEU 69 2HD1 LEU 69 10.166 -1.346 3.667 543 HD13 LEU 69 3HD1 LEU 69 11.520 -1.327 2.537 544 HD21 LEU 69 3HD2 LEU 69 9.725 -1.025 0.771 545 HD22 LEU 69 1HD2 LEU 69 8.431 -0.764 1.952 546 HD23 LEU 69 2HD2 LEU 69 8.795 0.484 0.744 547 H SER 70 H SER 70 10.630 1.919 6.317 548 HA SER 70 HA SER 70 9.146 4.303 7.167 549 HB2 SER 70 1HB SER 70 12.097 3.600 7.346 550 HB3 SER 70 2HB SER 70 11.274 4.903 8.224 551 HG SER 70 HG SER 70 11.721 2.813 9.254 552 H GLY 71 H GLY 71 9.680 6.500 6.436 553 HA2 GLY 71 1HA GLY 71 11.346 7.280 4.375 554 HA3 GLY 71 2HA GLY 71 9.992 6.520 3.571 555 H LYS 72 H LYS 72 9.671 8.804 2.753 556 HA LYS 72 HA LYS 72 7.791 10.212 4.577 557 HB2 LYS 72 1HB LYS 72 9.646 11.612 4.761 558 HB3 LYS 72 2HB LYS 72 10.128 11.402 3.094 559 HG2 LYS 72 1HG LYS 72 8.343 12.752 2.268 560 HG3 LYS 72 2HG LYS 72 7.548 12.819 3.850 561 HD2 LYS 72 1HD LYS 72 10.225 14.063 3.145 562 HD3 LYS 72 2HD LYS 72 8.671 14.911 3.194 563 HE2 LYS 72 1HE LYS 72 8.514 14.040 5.650 564 HE3 LYS 72 2HE LYS 72 10.251 13.717 5.490 565 HZ1 LYS 72 3HZ LYS 72 9.963 15.858 6.413 566 HZ2 LYS 72 1HZ LYS 72 10.499 16.067 4.880 567 HZ3 LYS 72 2HZ LYS 72 8.912 16.342 5.231 568 H ILE 73 H ILE 73 5.924 10.815 3.654 569 HA ILE 73 HA ILE 73 5.067 9.714 1.132 570 HB ILE 73 HB ILE 73 3.838 11.917 2.771 571 HG12 ILE 73 1HG1 ILE 73 3.970 10.271 4.422 572 HG13 ILE 73 2HG1 ILE 73 2.381 10.044 3.752 573 HG21 ILE 73 1HG2 ILE 73 2.853 11.547 0.482 574 HG22 ILE 73 2HG2 ILE 73 2.476 9.875 0.945 575 HG23 ILE 73 3HG2 ILE 73 1.740 11.270 1.781 576 HD11 ILE 73 3HD1 ILE 73 4.818 8.289 3.443 577 HD12 ILE 73 1HD1 ILE 73 3.187 7.863 3.984 578 HD13 ILE 73 2HD1 ILE 73 3.492 8.208 2.274 579 H VAL 74 H VAL 74 4.802 10.696 -0.855 580 HA VAL 74 HA VAL 74 5.428 13.555 -1.045 581 HB VAL 74 HB VAL 74 6.916 13.180 -3.023 582 HG11 VAL 74 1HG1 VAL 74 7.998 11.621 -0.641 583 HG12 VAL 74 2HG1 VAL 74 8.923 12.452 -1.900 584 HG13 VAL 74 3HG1 VAL 74 7.951 13.393 -0.765 585 HG21 VAL 74 3HG2 VAL 74 6.760 10.213 -2.403 586 HG22 VAL 74 1HG2 VAL 74 6.060 11.028 -3.813 587 HG23 VAL 74 2HG2 VAL 74 7.811 10.991 -3.596 588 H GLU 75 H GLU 75 3.380 10.889 -2.083 589 HA GLU 75 HA GLU 75 1.877 12.925 -3.562 590 HB2 GLU 75 1HB GLU 75 3.552 11.506 -5.062 591 HB3 GLU 75 2HB GLU 75 2.336 10.240 -4.884 592 HG2 GLU 75 1HG GLU 75 0.754 11.404 -6.136 593 HG3 GLU 75 2HG GLU 75 1.506 12.975 -5.828 594 H VAL 76 H VAL 76 -0.485 12.302 -3.571 595 HA VAL 76 HA VAL 76 -1.085 9.709 -2.274 596 HB VAL 76 HB VAL 76 -2.703 10.549 -0.817 597 HG11 VAL 76 1HG1 VAL 76 -1.441 11.831 0.758 598 HG12 VAL 76 2HG1 VAL 76 -0.291 10.771 -0.054 599 HG13 VAL 76 3HG1 VAL 76 -0.376 12.503 -0.468 600 HG21 VAL 76 3HG2 VAL 76 -2.265 13.308 -1.997 601 HG22 VAL 76 1HG2 VAL 76 -3.714 12.298 -2.166 602 HG23 VAL 76 2HG2 VAL 76 -3.294 12.927 -0.581 603 H ASN 77 H ASN 77 -3.492 9.145 -2.558 604 HA ASN 77 HA ASN 77 -4.254 9.861 -5.336 605 HB2 ASN 77 1HB ASN 77 -3.283 7.509 -4.770 606 HB3 ASN 77 2HB ASN 77 -4.786 7.186 -4.002 607 HD21 ASN 77 1HD2 ASN 77 -5.357 5.590 -5.554 608 HD22 ASN 77 2HD2 ASN 77 -5.789 5.916 -7.213 609 H GLU 78 H GLU 78 -5.458 11.659 -4.100 610 HA GLU 78 HA GLU 78 -7.755 10.956 -2.609 611 HB2 GLU 78 1HB GLU 78 -6.645 13.398 -3.830 612 HB3 GLU 78 2HB GLU 78 -8.386 13.294 -4.062 613 HG2 GLU 78 1HG GLU 78 -8.388 12.603 -1.498 614 HG3 GLU 78 2HG GLU 78 -6.829 13.403 -1.475 615 H LYS 79 H LYS 79 -7.062 9.916 -5.642 616 HA LYS 79 HA LYS 79 -9.646 9.920 -6.911 617 HB2 LYS 79 1HB LYS 79 -7.454 7.841 -6.948 618 HB3 LYS 79 2HB LYS 79 -8.795 7.909 -8.057 619 HG2 LYS 79 1HG LYS 79 -6.495 9.876 -7.790 620 HG3 LYS 79 2HG LYS 79 -6.791 8.775 -9.139 621 HD2 LYS 79 1HD LYS 79 -8.425 11.159 -8.242 622 HD3 LYS 79 2HD LYS 79 -7.402 11.078 -9.655 623 HE2 LYS 79 1HE LYS 79 -9.862 9.384 -9.126 624 HE3 LYS 79 2HE LYS 79 -9.859 10.807 -10.177 625 HZ1 LYS 79 3HZ LYS 79 -9.730 8.854 -11.476 626 HZ2 LYS 79 1HZ LYS 79 -8.256 9.546 -11.591 627 HZ3 LYS 79 2HZ LYS 79 -8.460 8.225 -10.652 628 H LEU 80 H LEU 80 -8.136 7.717 -4.257 629 HA LEU 80 HA LEU 80 -10.383 6.056 -4.350 630 HB2 LEU 80 1HB LEU 80 -8.471 6.649 -2.085 631 HB3 LEU 80 2HB LEU 80 -9.452 5.192 -2.333 632 HG LEU 80 HG LEU 80 -7.001 6.067 -3.963 633 HD11 LEU 80 1HD1 LEU 80 -7.574 3.934 -2.026 634 HD12 LEU 80 2HD1 LEU 80 -6.214 3.901 -3.147 635 HD13 LEU 80 3HD1 LEU 80 -6.412 5.312 -2.070 636 HD21 LEU 80 3HD2 LEU 80 -8.655 5.066 -5.565 637 HD22 LEU 80 1HD2 LEU 80 -7.310 3.977 -5.218 638 HD23 LEU 80 2HD2 LEU 80 -8.896 3.706 -4.447 639 H ASP 81 H ASP 81 -10.291 9.310 -3.177 640 HA ASP 81 HA ASP 81 -12.277 9.025 -1.076 641 HB2 ASP 81 1HB ASP 81 -10.839 11.019 -1.284 642 HB3 ASP 81 2HB ASP 81 -11.531 11.362 -2.869 643 H THR 82 H THR 82 -12.367 9.029 -4.608 644 HA THR 82 HA THR 82 -15.350 9.139 -4.522 645 HB THR 82 HB THR 82 -15.274 10.455 -6.556 646 HG1 THR 82 1HG THR 82 -13.573 10.624 -7.637 647 HG21 THR 82 3HG2 THR 82 -13.462 11.742 -4.474 648 HG22 THR 82 1HG2 THR 82 -14.526 12.551 -5.644 649 HG23 THR 82 2HG2 THR 82 -15.224 11.576 -4.329 650 H GLU 83 H GLU 83 -12.565 7.502 -5.697 651 HA GLU 83 HA GLU 83 -14.264 5.376 -6.847 652 HB2 GLU 83 1HB GLU 83 -11.585 6.521 -7.667 653 HB3 GLU 83 2HB GLU 83 -11.958 4.888 -8.156 654 HG2 GLU 83 1HG GLU 83 -13.765 7.202 -8.915 655 HG3 GLU 83 2HG GLU 83 -12.319 6.716 -9.827 656 HA PRO 84 HA PRO 84 -11.697 3.921 -3.184 657 HB2 PRO 84 1HB PRO 84 -13.831 3.128 -1.556 658 HB3 PRO 84 2HB PRO 84 -12.916 4.627 -1.400 659 HG2 PRO 84 1HG PRO 84 -15.663 4.276 -2.424 660 HG3 PRO 84 2HG PRO 84 -14.837 5.763 -1.876 661 HD2 PRO 84 1HD PRO 84 -15.318 4.885 -4.581 662 HD3 PRO 84 2HD PRO 84 -14.474 6.354 -4.039 663 H GLU 85 H GLU 85 -14.400 2.985 -5.161 664 HA GLU 85 HA GLU 85 -14.226 0.153 -4.798 665 HB2 GLU 85 1HB GLU 85 -16.195 1.635 -5.555 666 HB3 GLU 85 2HB GLU 85 -15.432 1.666 -7.147 667 HG2 GLU 85 1HG GLU 85 -15.592 -0.875 -7.143 668 HG3 GLU 85 2HG GLU 85 -16.491 -0.755 -5.627 669 H LEU 86 H LEU 86 -12.145 2.404 -6.610 670 HA LEU 86 HA LEU 86 -11.607 0.769 -8.817 671 HB2 LEU 86 1HB LEU 86 -10.740 3.284 -7.771 672 HB3 LEU 86 2HB LEU 86 -9.319 2.322 -7.700 673 HG LEU 86 HG LEU 86 -9.198 3.471 -9.684 674 HD11 LEU 86 1HD1 LEU 86 -8.817 0.928 -9.848 675 HD12 LEU 86 2HD1 LEU 86 -10.483 0.794 -10.406 676 HD13 LEU 86 3HD1 LEU 86 -9.305 1.627 -11.422 677 HD21 LEU 86 3HD2 LEU 86 -10.781 3.394 -11.549 678 HD22 LEU 86 1HD2 LEU 86 -12.021 2.794 -10.410 679 HD23 LEU 86 2HD2 LEU 86 -11.249 4.383 -10.181 680 H ILE 87 H ILE 87 -10.594 0.538 -5.482 681 HA ILE 87 HA ILE 87 -8.151 -0.863 -5.963 682 HB ILE 87 HB ILE 87 -9.734 -1.076 -3.391 683 HG12 ILE 87 1HG1 ILE 87 -7.968 1.320 -4.080 684 HG13 ILE 87 2HG1 ILE 87 -9.732 1.373 -4.096 685 HG21 ILE 87 1HG2 ILE 87 -7.718 -2.382 -3.488 686 HG22 ILE 87 2HG2 ILE 87 -6.773 -0.990 -4.097 687 HG23 ILE 87 3HG2 ILE 87 -7.415 -0.977 -2.458 688 HD11 ILE 87 3HD1 ILE 87 -9.200 2.259 -2.057 689 HD12 ILE 87 1HD1 ILE 87 -9.724 0.613 -1.677 690 HD13 ILE 87 2HD1 ILE 87 -7.983 1.027 -1.672 691 H ASN 88 H ASN 88 -11.504 -1.860 -5.988 692 HA ASN 88 HA ASN 88 -11.121 -4.733 -5.943 693 HB2 ASN 88 1HB ASN 88 -13.114 -2.873 -7.301 694 HB3 ASN 88 2HB ASN 88 -13.124 -4.595 -7.599 695 HD21 ASN 88 1HD2 ASN 88 -13.446 -2.290 -4.900 696 HD22 ASN 88 2HD2 ASN 88 -14.474 -3.357 -3.969 697 H LYS 89 H LYS 89 -11.313 -2.309 -8.402 698 HA LYS 89 HA LYS 89 -11.413 -3.944 -10.659 699 HB2 LYS 89 1HB LYS 89 -11.780 -1.264 -9.925 700 HB3 LYS 89 2HB LYS 89 -10.432 -1.161 -11.020 701 HG2 LYS 89 1HG LYS 89 -12.899 -2.783 -11.780 702 HG3 LYS 89 2HG LYS 89 -12.959 -1.033 -11.769 703 HD2 LYS 89 1HD LYS 89 -11.084 -0.883 -13.350 704 HD3 LYS 89 2HD LYS 89 -10.928 -2.647 -13.354 705 HE2 LYS 89 1HE LYS 89 -12.175 -1.748 -15.327 706 HE3 LYS 89 2HE LYS 89 -13.112 -2.910 -14.376 707 HZ1 LYS 89 3HZ LYS 89 -14.447 -1.225 -13.523 708 HZ2 LYS 89 1HZ LYS 89 -13.408 -0.017 -13.865 709 HZ3 LYS 89 2HZ LYS 89 -14.266 -0.759 -15.066 710 H ASP 90 H ASP 90 -8.775 -1.904 -9.385 711 HA ASP 90 HA ASP 90 -6.747 -3.803 -10.332 712 HB2 ASP 90 1HB ASP 90 -7.146 -1.075 -11.551 713 HB3 ASP 90 2HB ASP 90 -5.506 -1.651 -11.279 714 HA PRO 91 HA PRO 91 -6.184 -1.866 -6.167 715 HB2 PRO 91 1HB PRO 91 -4.586 -4.222 -5.488 716 HB3 PRO 91 2HB PRO 91 -6.137 -3.697 -4.779 717 HG2 PRO 91 1HG PRO 91 -5.602 -5.868 -6.586 718 HG3 PRO 91 2HG PRO 91 -7.180 -5.361 -5.953 719 HD2 PRO 91 1HD PRO 91 -6.156 -5.031 -8.626 720 HD3 PRO 91 2HD PRO 91 -7.737 -4.517 -7.980 721 H GLU 92 H GLU 92 -4.011 -3.228 -8.496 722 HA GLU 92 HA GLU 92 -1.615 -1.920 -7.413 723 HB2 GLU 92 1HB GLU 92 -0.688 -4.102 -8.687 724 HB3 GLU 92 2HB GLU 92 -1.052 -4.007 -6.980 725 HG2 GLU 92 1HG GLU 92 -3.379 -4.951 -7.500 726 HG3 GLU 92 2HG GLU 92 -2.794 -5.247 -9.137 727 H GLY 93 H GLY 93 -3.679 -1.187 -9.557 728 HA2 GLY 93 1HA GLY 93 -1.710 -0.108 -11.504 729 HA3 GLY 93 2HA GLY 93 -3.347 -0.548 -12.018 730 H GLU 94 H GLU 94 -5.202 0.541 -10.951 731 HA GLU 94 HA GLU 94 -4.588 3.380 -10.713 732 HB2 GLU 94 1HB GLU 94 -7.104 1.769 -11.138 733 HB3 GLU 94 2HB GLU 94 -7.049 3.517 -11.013 734 HG2 GLU 94 1HG GLU 94 -5.320 2.149 -12.928 735 HG3 GLU 94 2HG GLU 94 -6.958 2.538 -13.327 736 H GLY 95 H GLY 95 -5.647 0.790 -8.557 737 HA2 GLY 95 1HA GLY 95 -6.919 2.581 -6.657 738 HA3 GLY 95 2HA GLY 95 -6.814 0.860 -6.562 739 H TRP 96 H TRP 96 -4.079 3.133 -6.928 740 HA TRP 96 HA TRP 96 -2.644 1.943 -4.624 741 HB2 TRP 96 1HB TRP 96 -0.922 3.580 -5.173 742 HB3 TRP 96 2HB TRP 96 -1.318 2.597 -6.579 743 HD1 TRP 96 HD TRP 96 -2.871 3.839 -8.500 744 HE1 TRP 96 1HE TRP 96 -2.992 6.278 -9.235 745 HE3 TRP 96 3HE TRP 96 -0.546 6.045 -4.491 746 HZ2 TRP 96 2HZ TRP 96 -2.236 8.841 -8.226 747 HZ3 TRP 96 3HZ TRP 96 -0.353 8.574 -4.407 748 HH2 TRP 96 HH TRP 96 -1.106 9.917 -6.324 749 H LEU 97 H LEU 97 -2.002 3.476 -2.788 750 HA LEU 97 HA LEU 97 -4.299 5.388 -2.356 751 HB2 LEU 97 1HB LEU 97 -2.557 4.247 -0.195 752 HB3 LEU 97 2HB LEU 97 -4.103 5.075 -0.039 753 HG LEU 97 HG LEU 97 -4.445 2.607 -1.579 754 HD11 LEU 97 1HD1 LEU 97 -2.318 2.088 -0.161 755 HD12 LEU 97 2HD1 LEU 97 -3.345 2.292 1.240 756 HD13 LEU 97 3HD1 LEU 97 -3.710 0.990 0.083 757 HD21 LEU 97 3HD2 LEU 97 -6.269 3.654 -0.209 758 HD22 LEU 97 1HD2 LEU 97 -5.994 1.976 0.240 759 HD23 LEU 97 2HD2 LEU 97 -5.392 3.282 1.272 760 H PHE 98 H PHE 98 -0.694 4.969 -1.863 761 HA PHE 98 HA PHE 98 -0.378 7.799 -2.363 762 HB2 PHE 98 1HB PHE 98 0.672 8.365 -0.253 763 HB3 PHE 98 2HB PHE 98 -0.969 7.837 0.029 764 HD1 PHE 98 1HD PHE 98 -1.402 5.569 1.019 765 HD2 PHE 98 2HD PHE 98 2.560 7.160 0.628 766 HE1 PHE 98 1HE PHE 98 -0.551 3.848 2.627 767 HE2 PHE 98 2HE PHE 98 3.336 5.587 2.395 768 HZ PHE 98 HZ PHE 98 1.800 3.906 3.355 769 H LYS 99 H LYS 99 2.009 8.414 -2.106 770 HA LYS 99 HA LYS 99 3.816 6.170 -2.806 771 HB2 LYS 99 1HB LYS 99 3.861 8.879 -4.184 772 HB3 LYS 99 2HB LYS 99 4.831 7.488 -4.556 773 HG2 LYS 99 1HG LYS 99 2.760 6.236 -5.250 774 HG3 LYS 99 2HG LYS 99 1.820 7.688 -4.910 775 HD2 LYS 99 1HD LYS 99 3.167 8.915 -6.619 776 HD3 LYS 99 2HD LYS 99 3.900 7.365 -7.095 777 HE2 LYS 99 1HE LYS 99 1.672 6.482 -7.654 778 HE3 LYS 99 2HE LYS 99 0.908 7.895 -6.937 779 HZ1 LYS 99 3HZ LYS 99 1.987 9.263 -8.612 780 HZ2 LYS 99 1HZ LYS 99 2.470 7.895 -9.421 781 HZ3 LYS 99 2HZ LYS 99 0.884 8.230 -9.232 782 H MET 100 H MET 100 6.037 6.627 -2.259 783 HA MET 100 HA MET 100 6.580 9.023 -0.644 784 HB2 MET 100 1HB MET 100 7.372 7.426 1.178 785 HB3 MET 100 2HB MET 100 5.681 7.856 1.118 786 HG2 MET 100 1HG MET 100 5.026 5.741 0.204 787 HG3 MET 100 2HG MET 100 6.654 5.176 0.105 788 HE1 MET 100 3HE MET 100 7.817 6.675 3.079 789 HE2 MET 100 1HE MET 100 7.661 5.203 4.026 790 HE3 MET 100 2HE MET 100 8.279 5.111 2.362 791 H GLU 101 H GLU 101 8.762 9.332 -0.225 792 HA GLU 101 HA GLU 101 10.645 8.041 -1.996 793 HB2 GLU 101 1HB GLU 101 10.797 10.463 -1.125 794 HB3 GLU 101 2HB GLU 101 11.338 9.758 0.412 795 HG2 GLU 101 1HG GLU 101 13.087 8.467 -1.006 796 HG3 GLU 101 2HG GLU 101 12.631 9.518 -2.347 797 H ILE 102 H ILE 102 11.970 6.329 -1.480 798 HA ILE 102 HA ILE 102 11.702 4.967 1.105 799 HB ILE 102 HB ILE 102 13.281 3.336 0.062 800 HG12 ILE 102 1HG1 ILE 102 12.500 4.506 -2.608 801 HG13 ILE 102 2HG1 ILE 102 14.062 4.907 -1.883 802 HG21 ILE 102 1HG2 ILE 102 11.480 2.226 -1.208 803 HG22 ILE 102 2HG2 ILE 102 10.792 3.055 0.192 804 HG23 ILE 102 3HG2 ILE 102 10.656 3.779 -1.435 805 HD11 ILE 102 3HD1 ILE 102 14.828 2.706 -1.934 806 HD12 ILE 102 1HD1 ILE 102 13.270 2.065 -2.481 807 HD13 ILE 102 2HD1 ILE 102 14.222 3.127 -3.548 808 H SER 103 H SER 103 12.740 6.076 2.649 809 HA SER 103 HA SER 103 15.186 7.547 2.088 810 HB2 SER 103 1HB SER 103 13.865 6.754 4.700 811 HB3 SER 103 2HB SER 103 15.194 7.917 4.546 812 HG SER 103 HG SER 103 13.834 9.175 3.226 813 H ASP 104 H ASP 104 14.463 4.216 2.765 814 HA ASP 104 HA ASP 104 17.264 3.591 3.571 815 HB2 ASP 104 1HB ASP 104 14.754 2.594 4.970 816 HB3 ASP 104 2HB ASP 104 16.427 2.219 5.372 817 H GLU 105 H GLU 105 17.314 2.871 1.264 818 HA GLU 105 HA GLU 105 15.373 1.012 0.332 819 HB2 GLU 105 1HB GLU 105 16.334 1.161 -1.667 820 HB3 GLU 105 2HB GLU 105 17.129 2.521 -0.906 821 HG2 GLU 105 1HG GLU 105 19.150 1.152 -0.503 822 HG3 GLU 105 2HG GLU 105 18.364 -0.243 -1.253 823 H GLY 106 H GLY 106 17.804 0.457 2.481 824 HA2 GLY 106 1HA GLY 106 18.291 -2.394 1.871 825 HA3 GLY 106 2HA GLY 106 18.893 -1.512 3.274 826 H GLU 107 H GLU 107 15.681 -0.705 3.298 827 HA GLU 107 HA GLU 107 15.005 -2.730 5.301 828 HB2 GLU 107 1HB GLU 107 13.644 -0.273 4.176 829 HB3 GLU 107 2HB GLU 107 12.790 -1.464 5.159 830 HG2 GLU 107 1HG GLU 107 14.368 -1.129 6.998 831 HG3 GLU 107 2HG GLU 107 15.153 0.169 6.078 832 H LEU 108 H LEU 108 13.973 -2.019 1.865 833 HA LEU 108 HA LEU 108 11.667 -3.514 1.963 834 HB2 LEU 108 1HB LEU 108 12.391 -3.838 -0.668 835 HB3 LEU 108 2HB LEU 108 11.470 -2.574 0.091 836 HG LEU 108 HG LEU 108 14.379 -2.126 -0.014 837 HD11 LEU 108 1HD1 LEU 108 12.658 -1.901 -2.488 838 HD12 LEU 108 2HD1 LEU 108 14.304 -1.213 -2.275 839 HD13 LEU 108 3HD1 LEU 108 14.047 -2.966 -2.235 840 HD21 LEU 108 3HD2 LEU 108 12.875 -0.482 1.008 841 HD22 LEU 108 1HD2 LEU 108 13.534 0.213 -0.484 842 HD23 LEU 108 2HD2 LEU 108 11.880 -0.431 -0.466 843 H GLU 109 H GLU 109 14.901 -4.537 1.304 844 HA GLU 109 HA GLU 109 14.294 -7.159 0.317 845 HB2 GLU 109 1HB GLU 109 16.764 -5.952 1.564 846 HB3 GLU 109 2HB GLU 109 16.683 -7.673 1.169 847 HG2 GLU 109 1HG GLU 109 16.232 -5.439 -0.838 848 HG3 GLU 109 2HG GLU 109 17.726 -6.360 -0.643 849 H ASP 110 H ASP 110 14.085 -5.951 3.562 850 HA ASP 110 HA ASP 110 14.096 -8.661 4.738 851 HB2 ASP 110 1HB ASP 110 15.168 -6.799 5.930 852 HB3 ASP 110 2HB ASP 110 13.629 -5.923 5.957 853 H LEU 111 H LEU 111 11.855 -6.759 3.104 854 HA LEU 111 HA LEU 111 9.362 -7.798 4.415 855 HB2 LEU 111 1HB LEU 111 9.804 -6.389 1.752 856 HB3 LEU 111 2HB LEU 111 8.303 -6.721 2.560 857 HG LEU 111 HG LEU 111 10.327 -4.767 3.654 858 HD11 LEU 111 1HD1 LEU 111 9.365 -4.089 1.452 859 HD12 LEU 111 2HD1 LEU 111 7.731 -4.318 2.115 860 HD13 LEU 111 3HD1 LEU 111 8.798 -3.064 2.773 861 HD21 LEU 111 3HD2 LEU 111 8.290 -4.095 5.035 862 HD22 LEU 111 1HD2 LEU 111 7.457 -5.501 4.399 863 HD23 LEU 111 2HD2 LEU 111 8.894 -5.720 5.410 864 H LEU 112 H LEU 112 7.873 -8.656 2.566 865 HA LEU 112 HA LEU 112 9.041 -11.293 2.111 866 HB2 LEU 112 1HB LEU 112 6.248 -10.233 1.636 867 HB3 LEU 112 2HB LEU 112 6.707 -11.934 1.582 868 HG LEU 112 HG LEU 112 7.073 -10.217 4.071 869 HD11 LEU 112 1HD1 LEU 112 5.031 -10.853 4.851 870 HD12 LEU 112 2HD1 LEU 112 4.767 -10.296 3.214 871 HD13 LEU 112 3HD1 LEU 112 4.737 -12.047 3.540 872 HD21 LEU 112 3HD2 LEU 112 6.981 -12.391 5.266 873 HD22 LEU 112 1HD2 LEU 112 7.049 -13.224 3.690 874 HD23 LEU 112 2HD2 LEU 112 8.396 -12.187 4.230 875 H ASP 113 H ASP 113 9.663 -12.032 0.303 876 HA ASP 113 HA ASP 113 9.462 -10.871 -2.322 877 HB2 ASP 113 1HB ASP 113 9.906 -13.731 -1.312 878 HB3 ASP 113 2HB ASP 113 10.027 -13.275 -3.002 879 H GLU 114 H GLU 114 8.324 -12.268 -4.066 880 HA GLU 114 HA GLU 114 5.513 -11.974 -3.645 881 HB2 GLU 114 1HB GLU 114 6.725 -11.587 -5.786 882 HB3 GLU 114 2HB GLU 114 6.951 -13.326 -5.972 883 HG2 GLU 114 1HG GLU 114 4.642 -13.728 -6.301 884 HG3 GLU 114 2HG GLU 114 4.154 -12.252 -5.472 885 H GLN 115 H GLN 115 7.494 -14.975 -4.302 886 HA GLN 115 HA GLN 115 5.472 -16.804 -3.852 887 HB2 GLN 115 1HB GLN 115 7.947 -17.031 -4.691 888 HB3 GLN 115 2HB GLN 115 8.356 -17.159 -2.981 889 HG2 GLN 115 1HG GLN 115 6.633 -19.026 -2.837 890 HG3 GLN 115 2HG GLN 115 6.476 -18.897 -4.601 891 HE21 GLN 115 1HE2 GLN 115 7.717 -20.509 -5.644 892 HE22 GLN 115 2HE2 GLN 115 9.249 -21.098 -5.050 893 H ALA 116 H ALA 116 7.737 -15.262 -1.519 894 HA ALA 116 HA ALA 116 6.813 -16.665 0.775 895 HB1 ALA 116 1HB ALA 116 8.997 -15.521 0.675 896 HB2 ALA 116 2HB ALA 116 8.164 -13.943 0.616 897 HB3 ALA 116 3HB ALA 116 8.013 -14.982 2.051 898 H TYR 117 H TYR 117 5.551 -13.765 -0.883 899 HA TYR 117 HA TYR 117 3.667 -13.163 1.271 900 HB2 TYR 117 1HB TYR 117 4.293 -11.359 -0.026 901 HB3 TYR 117 2HB TYR 117 4.114 -12.213 -1.555 902 HD1 TYR 117 1HD TYR 117 1.981 -11.242 1.411 903 HD2 TYR 117 2HD TYR 117 2.227 -11.834 -2.861 904 HE1 TYR 117 1HE TYR 117 -0.396 -10.595 1.181 905 HE2 TYR 117 2HE TYR 117 -0.119 -11.162 -3.104 906 HH TYR 117 HH TYR 117 -2.138 -11.252 -1.592 907 H GLN 118 H GLN 118 3.455 -14.919 -1.864 908 HA GLN 118 HA GLN 118 0.685 -15.570 -1.731 909 HB2 GLN 118 1HB GLN 118 1.381 -16.156 -3.765 910 HB3 GLN 118 2HB GLN 118 3.057 -16.388 -3.273 911 HG2 GLN 118 1HG GLN 118 2.712 -18.640 -2.642 912 HG3 GLN 118 2HG GLN 118 0.959 -18.481 -2.699 913 HE21 GLN 118 1HE2 GLN 118 0.703 -20.215 -4.237 914 HE22 GLN 118 2HE2 GLN 118 1.325 -20.144 -5.857 915 H GLU 119 H GLU 119 3.512 -17.348 -0.577 916 HA GLU 119 HA GLU 119 2.484 -19.448 0.901 917 HB2 GLU 119 1HB GLU 119 4.749 -17.489 1.307 918 HB3 GLU 119 2HB GLU 119 4.469 -18.701 2.516 919 HG2 GLU 119 1HG GLU 119 4.798 -19.479 -0.408 920 HG3 GLU 119 2HG GLU 119 6.200 -19.115 0.603 921 H PHE 120 H PHE 120 2.792 -16.039 1.995 922 HA PHE 120 HA PHE 120 1.721 -16.496 4.610 923 HB2 PHE 120 1HB PHE 120 3.246 -14.603 3.767 924 HB3 PHE 120 2HB PHE 120 1.796 -13.852 3.127 925 HD1 PHE 120 1HD PHE 120 3.074 -15.422 6.320 926 HD2 PHE 120 2HD PHE 120 0.651 -12.338 4.515 927 HE1 PHE 120 1HE PHE 120 2.559 -14.507 8.560 928 HE2 PHE 120 2HE PHE 120 0.111 -11.459 6.752 929 HZ PHE 120 HZ PHE 120 1.096 -12.495 8.782 930 H CYS 121 H CYS 121 0.229 -15.897 1.480 931 HA CYS 121 HA CYS 121 -2.427 -15.291 2.617 932 HB2 CYS 121 1HB CYS 121 -1.428 -15.693 -0.236 933 HB3 CYS 121 2HB CYS 121 -3.082 -15.249 0.215 934 HG CYS 121 HG CYS 121 -0.230 -13.680 0.776 935 H ALA 122 H ALA 122 -0.662 -18.132 2.250 936 HA ALA 122 HA ALA 122 -3.042 -19.785 1.543 937 HB1 ALA 122 1HB ALA 122 -1.125 -19.924 -0.036 938 HB2 ALA 122 2HB ALA 122 -0.077 -20.403 1.329 939 HB3 ALA 122 3HB ALA 122 -1.414 -21.455 0.825 940 H GLN 123 H GLN 123 -1.470 -18.677 4.219 941 HA GLN 123 HA GLN 123 -1.890 -21.176 5.737 942 HB2 GLN 123 1HB GLN 123 -0.144 -20.395 7.213 943 HB3 GLN 123 2HB GLN 123 0.471 -20.499 5.581 944 HG2 GLN 123 1HG GLN 123 1.017 -18.325 5.546 945 HG3 GLN 123 2HG GLN 123 -0.584 -17.800 6.050 946 HE21 GLN 123 1HE2 GLN 123 -0.924 -18.609 8.580 947 HE22 GLN 123 2HE2 GLN 123 0.418 -18.111 9.632 948 H GLU 124 H GLU 124 -3.777 -18.903 4.945 949 HA GLU 124 HA GLU 124 -4.271 -17.580 7.557 950 HB2 GLU 124 1HB GLU 124 -3.265 -16.154 5.801 951 HB3 GLU 124 2HB GLU 124 -4.611 -16.528 4.714 952 HG2 GLU 124 1HG GLU 124 -6.193 -15.401 6.205 953 HG3 GLU 124 2HG GLU 124 -4.935 -15.202 7.437 Start of MODEL 20 1 H1 MET 1 H MET 1 16.611 -0.150 -12.201 2 HA MET 1 HA MET 1 16.856 0.009 -9.825 3 HB2 MET 1 1HB MET 1 17.796 2.325 -10.027 4 HB3 MET 1 2HB MET 1 16.160 2.963 -10.118 5 HG2 MET 1 1HG MET 1 15.679 2.249 -7.891 6 HG3 MET 1 2HG MET 1 17.065 1.165 -7.834 7 HE1 MET 1 3HE MET 1 19.941 3.178 -6.631 8 HE2 MET 1 1HE MET 1 18.892 1.837 -6.147 9 HE3 MET 1 2HE MET 1 19.539 1.901 -7.805 10 H LYS 2 H LYS 2 15.066 -1.366 -9.619 11 HA LYS 2 HA LYS 2 12.391 -0.363 -9.502 12 HB2 LYS 2 1HB LYS 2 11.627 -1.752 -11.494 13 HB3 LYS 2 2HB LYS 2 12.417 -0.221 -11.843 14 HG2 LYS 2 1HG LYS 2 14.577 -1.541 -12.179 15 HG3 LYS 2 2HG LYS 2 13.597 -3.008 -12.154 16 HD2 LYS 2 1HD LYS 2 12.458 -2.295 -14.180 17 HD3 LYS 2 2HD LYS 2 13.195 -0.672 -14.091 18 HE2 LYS 2 1HE LYS 2 15.468 -1.695 -14.232 19 HE3 LYS 2 2HE LYS 2 14.723 -3.289 -14.332 20 HZ1 LYS 2 3HZ LYS 2 13.688 -2.568 -16.416 21 HZ2 LYS 2 1HZ LYS 2 14.568 -1.160 -16.353 22 HZ3 LYS 2 2HZ LYS 2 15.334 -2.612 -16.468 23 H MET 3 H MET 3 11.378 -1.783 -8.100 24 HA MET 3 HA MET 3 11.962 -4.629 -8.026 25 HB2 MET 3 1HB MET 3 13.893 -3.897 -6.831 26 HB3 MET 3 2HB MET 3 12.982 -2.670 -5.932 27 HG2 MET 3 1HG MET 3 11.919 -4.298 -4.578 28 HG3 MET 3 2HG MET 3 12.426 -5.630 -5.615 29 HE1 MET 3 3HE MET 3 15.954 -3.450 -3.628 30 HE2 MET 3 1HE MET 3 15.646 -3.541 -5.369 31 HE3 MET 3 2HE MET 3 14.572 -2.593 -4.324 32 H LYS 4 H LYS 4 10.367 -5.690 -6.575 33 HA LYS 4 HA LYS 4 8.195 -3.930 -5.657 34 HB2 LYS 4 1HB LYS 4 6.939 -6.051 -7.091 35 HB3 LYS 4 2HB LYS 4 6.790 -4.320 -7.314 36 HG2 LYS 4 1HG LYS 4 8.572 -4.282 -8.945 37 HG3 LYS 4 2HG LYS 4 8.989 -5.968 -8.605 38 HD2 LYS 4 1HD LYS 4 6.298 -5.120 -9.714 39 HD3 LYS 4 2HD LYS 4 7.666 -5.550 -10.741 40 HE2 LYS 4 1HE LYS 4 6.523 -7.404 -8.606 41 HE3 LYS 4 2HE LYS 4 5.997 -7.429 -10.287 42 HZ1 LYS 4 3HZ LYS 4 7.773 -9.031 -9.578 43 HZ2 LYS 4 1HZ LYS 4 8.055 -8.217 -10.980 44 HZ3 LYS 4 2HZ LYS 4 8.847 -7.758 -9.623 45 H LYS 5 H LYS 5 8.236 -4.497 -3.543 46 HA LYS 5 HA LYS 5 8.039 -7.397 -2.924 47 HB2 LYS 5 1HB LYS 5 9.510 -5.162 -1.581 48 HB3 LYS 5 2HB LYS 5 8.991 -6.552 -0.598 49 HG2 LYS 5 1HG LYS 5 10.010 -8.044 -2.363 50 HG3 LYS 5 2HG LYS 5 10.819 -6.615 -3.035 51 HD2 LYS 5 1HD LYS 5 12.277 -6.466 -1.200 52 HD3 LYS 5 2HD LYS 5 11.084 -7.166 -0.092 53 HE2 LYS 5 1HE LYS 5 12.786 -8.776 -0.300 54 HE3 LYS 5 2HE LYS 5 11.343 -9.377 -1.123 55 HZ1 LYS 5 3HZ LYS 5 12.444 -8.560 -3.228 56 HZ2 LYS 5 1HZ LYS 5 13.821 -8.333 -2.347 57 HZ3 LYS 5 2HZ LYS 5 13.175 -9.828 -2.466 58 H TYR 6 H TYR 6 7.162 -7.631 -0.455 59 HA TYR 6 HA TYR 6 4.439 -6.427 -0.502 60 HB2 TYR 6 1HB TYR 6 5.234 -9.357 -0.411 61 HB3 TYR 6 2HB TYR 6 3.594 -8.765 -0.202 62 HD1 TYR 6 1HD TYR 6 6.366 -9.235 -2.625 63 HD2 TYR 6 2HD TYR 6 2.247 -8.057 -2.087 64 HE1 TYR 6 1HE TYR 6 6.096 -9.061 -5.068 65 HE2 TYR 6 2HE TYR 6 1.917 -8.089 -4.539 66 HH TYR 6 HH TYR 6 3.069 -7.902 -6.551 67 H THR 7 H THR 7 3.204 -6.641 1.583 68 HA THR 7 HA THR 7 5.007 -6.861 3.867 69 HB THR 7 HB THR 7 3.295 -5.526 4.984 70 HG1 THR 7 1HG THR 7 1.467 -4.816 3.897 71 HG21 THR 7 3HG2 THR 7 4.914 -4.304 3.601 72 HG22 THR 7 1HG2 THR 7 3.788 -4.369 2.215 73 HG23 THR 7 2HG2 THR 7 3.331 -3.493 3.687 74 H LYS 8 H LYS 8 3.867 -7.442 5.747 75 HA LYS 8 HA LYS 8 2.524 -10.088 5.567 76 HB2 LYS 8 1HB LYS 8 3.434 -8.626 8.082 77 HB3 LYS 8 2HB LYS 8 2.935 -10.300 7.919 78 HG2 LYS 8 1HG LYS 8 4.892 -10.722 6.390 79 HG3 LYS 8 2HG LYS 8 5.405 -9.042 6.614 80 HD2 LYS 8 1HD LYS 8 6.731 -10.359 8.085 81 HD3 LYS 8 2HD LYS 8 5.612 -9.443 9.049 82 HE2 LYS 8 1HE LYS 8 4.677 -11.301 9.898 83 HE3 LYS 8 2HE LYS 8 4.345 -11.935 8.294 84 HZ1 LYS 8 3HZ LYS 8 5.772 -13.361 9.645 85 HZ2 LYS 8 1HZ LYS 8 6.432 -12.984 8.193 86 HZ3 LYS 8 2HZ LYS 8 6.986 -12.242 9.553 87 H THR 9 H THR 9 1.474 -6.883 5.455 88 HA THR 9 HA THR 9 -1.174 -7.589 6.573 89 HB THR 9 HB THR 9 -1.362 -5.062 6.993 90 HG1 THR 9 1HG THR 9 0.529 -4.306 5.874 91 HG21 THR 9 3HG2 THR 9 0.709 -6.656 8.574 92 HG22 THR 9 1HG2 THR 9 -0.181 -5.224 9.125 93 HG23 THR 9 2HG2 THR 9 -1.050 -6.725 8.772 94 H HIS 10 H HIS 10 -0.534 -8.456 4.093 95 HA HIS 10 HA HIS 10 -0.991 -8.334 1.870 96 HB2 HIS 10 1HB HIS 10 -3.478 -8.115 1.566 97 HB3 HIS 10 2HB HIS 10 -2.874 -9.293 2.734 98 HD1 HIS 10 1HD HIS 10 -4.230 -5.699 2.726 99 HD2 HIS 10 2HD HIS 10 -3.776 -9.094 5.185 100 HE1 HIS 10 1HE HIS 10 -5.432 -5.173 4.916 101 HE2 HIS 10 2HE HIS 10 -5.004 -7.148 6.484 102 H GLU 11 H GLU 11 0.572 -6.377 1.778 103 HA GLU 11 HA GLU 11 -0.706 -4.453 -0.035 104 HB2 GLU 11 1HB GLU 11 1.513 -3.749 1.895 105 HB3 GLU 11 2HB GLU 11 0.834 -2.676 0.711 106 HG2 GLU 11 1HG GLU 11 -0.921 -2.076 2.004 107 HG3 GLU 11 2HG GLU 11 -1.157 -3.684 2.692 108 H TRP 12 H TRP 12 0.669 -3.759 -1.649 109 HA TRP 12 HA TRP 12 3.222 -5.263 -2.029 110 HB2 TRP 12 1HB TRP 12 2.871 -4.936 -4.450 111 HB3 TRP 12 2HB TRP 12 1.601 -5.907 -3.719 112 HD1 TRP 12 HD TRP 12 -0.787 -4.867 -3.522 113 HE1 TRP 12 1HE TRP 12 -1.986 -2.898 -4.559 114 HE3 TRP 12 3HE TRP 12 3.263 -2.538 -5.681 115 HZ2 TRP 12 2HZ TRP 12 -1.266 -0.542 -6.003 116 HZ3 TRP 12 3HZ TRP 12 2.915 -0.406 -6.884 117 HH2 TRP 12 HH TRP 12 0.697 0.649 -6.997 118 H VAL 13 H VAL 13 4.723 -3.906 -3.513 119 HA VAL 13 HA VAL 13 4.628 -1.033 -2.910 120 HB VAL 13 HB VAL 13 7.169 -2.634 -2.459 121 HG11 VAL 13 1HG1 VAL 13 7.733 -0.752 -1.016 122 HG12 VAL 13 2HG1 VAL 13 7.407 -0.375 -2.698 123 HG13 VAL 13 3HG1 VAL 13 6.180 0.023 -1.451 124 HG21 VAL 13 3HG2 VAL 13 5.641 -3.702 -0.816 125 HG22 VAL 13 1HG2 VAL 13 6.791 -2.649 -0.012 126 HG23 VAL 13 2HG2 VAL 13 5.105 -2.110 -0.278 127 H SER 14 H SER 14 5.404 0.051 -4.768 128 HA SER 14 HA SER 14 6.951 -1.541 -6.817 129 HB2 SER 14 1HB SER 14 4.743 0.443 -7.071 130 HB3 SER 14 2HB SER 14 6.105 0.691 -8.102 131 HG SER 14 HG SER 14 4.615 -0.708 -9.136 132 H ILE 15 H ILE 15 8.958 -1.053 -5.828 133 HA ILE 15 HA ILE 15 9.686 1.734 -5.252 134 HB ILE 15 HB ILE 15 11.371 -0.804 -5.226 135 HG12 ILE 15 1HG1 ILE 15 11.044 -0.180 -2.591 136 HG13 ILE 15 2HG1 ILE 15 9.493 0.314 -3.182 137 HG21 ILE 15 1HG2 ILE 15 12.646 1.289 -5.411 138 HG22 ILE 15 2HG2 ILE 15 11.783 1.943 -4.005 139 HG23 ILE 15 3HG2 ILE 15 12.888 0.562 -3.828 140 HD11 ILE 15 3HD1 ILE 15 9.552 -2.044 -2.356 141 HD12 ILE 15 1HD1 ILE 15 8.983 -1.902 -4.028 142 HD13 ILE 15 2HD1 ILE 15 10.641 -2.456 -3.694 143 H GLU 16 H GLU 16 10.228 2.997 -6.972 144 HA GLU 16 HA GLU 16 11.656 1.677 -9.234 145 HB2 GLU 16 1HB GLU 16 9.470 2.743 -9.855 146 HB3 GLU 16 2HB GLU 16 10.193 4.313 -9.456 147 HG2 GLU 16 1HG GLU 16 12.032 3.847 -11.103 148 HG3 GLU 16 2HG GLU 16 11.343 2.258 -11.426 149 H ASP 17 H ASP 17 12.088 5.026 -9.318 150 HA ASP 17 HA ASP 17 14.872 4.570 -8.830 151 HB2 ASP 17 1HB ASP 17 13.232 7.008 -9.570 152 HB3 ASP 17 2HB ASP 17 14.929 7.131 -9.186 153 H LYS 18 H LYS 18 12.591 6.835 -7.201 154 HA LYS 18 HA LYS 18 14.077 6.428 -4.650 155 HB2 LYS 18 1HB LYS 18 13.401 9.238 -5.567 156 HB3 LYS 18 2HB LYS 18 14.313 8.748 -4.139 157 HG2 LYS 18 1HG LYS 18 16.035 7.700 -5.575 158 HG3 LYS 18 2HG LYS 18 15.196 8.305 -7.018 159 HD2 LYS 18 1HD LYS 18 15.651 10.634 -6.279 160 HD3 LYS 18 2HD LYS 18 16.625 9.968 -4.926 161 HE2 LYS 18 1HE LYS 18 17.954 8.642 -6.546 162 HE3 LYS 18 2HE LYS 18 16.984 9.260 -7.885 163 HZ1 LYS 18 3HZ LYS 18 17.868 11.459 -7.405 164 HZ2 LYS 18 1HZ LYS 18 18.805 10.835 -6.183 165 HZ3 LYS 18 2HZ LYS 18 19.065 10.366 -7.714 166 H VAL 19 H VAL 19 11.295 5.934 -6.019 167 HA VAL 19 HA VAL 19 9.672 6.820 -3.746 168 HB VAL 19 HB VAL 19 8.972 7.239 -6.682 169 HG11 VAL 19 1HG1 VAL 19 6.814 8.164 -5.870 170 HG12 VAL 19 2HG1 VAL 19 6.960 6.444 -5.529 171 HG13 VAL 19 3HG1 VAL 19 7.219 7.627 -4.223 172 HG21 VAL 19 3HG2 VAL 19 10.324 9.070 -5.759 173 HG22 VAL 19 1HG2 VAL 19 8.646 9.616 -5.968 174 HG23 VAL 19 2HG2 VAL 19 9.242 9.196 -4.349 175 H ALA 20 H ALA 20 8.220 5.290 -3.145 176 HA ALA 20 HA ALA 20 7.843 2.864 -4.858 177 HB1 ALA 20 1HB ALA 20 7.529 3.025 -1.824 178 HB2 ALA 20 2HB ALA 20 7.303 1.617 -2.882 179 HB3 ALA 20 3HB ALA 20 8.924 2.291 -2.661 180 H THR 21 H THR 21 5.845 2.609 -5.530 181 HA THR 21 HA THR 21 3.605 4.229 -4.412 182 HB THR 21 HB THR 21 3.503 1.912 -6.388 183 HG1 THR 21 1HG THR 21 4.715 3.999 -7.027 184 HG21 THR 21 3HG2 THR 21 1.367 2.979 -7.080 185 HG22 THR 21 1HG2 THR 21 1.337 2.428 -5.398 186 HG23 THR 21 2HG2 THR 21 1.543 4.155 -5.764 187 H VAL 22 H VAL 22 2.256 3.434 -2.835 188 HA VAL 22 HA VAL 22 2.464 0.554 -2.104 189 HB VAL 22 HB VAL 22 1.365 2.859 -0.447 190 HG11 VAL 22 1HG1 VAL 22 1.619 1.268 1.434 191 HG12 VAL 22 2HG1 VAL 22 0.526 0.648 0.215 192 HG13 VAL 22 3HG1 VAL 22 2.177 0.010 0.296 193 HG21 VAL 22 3HG2 VAL 22 3.651 3.443 -0.645 194 HG22 VAL 22 1HG2 VAL 22 3.528 2.596 0.892 195 HG23 VAL 22 2HG2 VAL 22 4.192 1.749 -0.521 196 H GLY 23 H GLY 23 0.613 -0.685 -2.194 197 HA2 GLY 23 1HA GLY 23 -1.979 0.561 -1.962 198 HA3 GLY 23 2HA GLY 23 -1.757 -0.350 -3.460 199 H ILE 24 H ILE 24 -3.595 -1.199 -1.475 200 HA ILE 24 HA ILE 24 -2.395 -3.459 -0.065 201 HB ILE 24 HB ILE 24 -4.666 -4.166 0.420 202 HG12 ILE 24 1HG1 ILE 24 -6.363 -2.064 0.122 203 HG13 ILE 24 2HG1 ILE 24 -5.459 -1.835 -1.368 204 HG21 ILE 24 1HG2 ILE 24 -3.423 -2.756 1.946 205 HG22 ILE 24 2HG2 ILE 24 -4.099 -1.301 1.164 206 HG23 ILE 24 3HG2 ILE 24 -5.167 -2.455 1.994 207 HD11 ILE 24 3HD1 ILE 24 -6.292 -3.778 -2.284 208 HD12 ILE 24 1HD1 ILE 24 -6.378 -4.597 -0.705 209 HD13 ILE 24 2HD1 ILE 24 -7.603 -3.447 -1.107 210 H THR 25 H THR 25 -3.015 -5.773 -0.734 211 HA THR 25 HA THR 25 -2.502 -6.048 -3.594 212 HB THR 25 HB THR 25 -2.429 -8.503 -2.914 213 HG1 THR 25 1HG THR 25 -2.276 -8.887 -0.715 214 HG21 THR 25 3HG2 THR 25 -0.378 -7.215 -3.117 215 HG22 THR 25 1HG2 THR 25 -0.616 -6.508 -1.503 216 HG23 THR 25 2HG2 THR 25 -0.257 -8.227 -1.673 217 H ASN 26 H ASN 26 -3.668 -8.186 -4.432 218 HA ASN 26 HA ASN 26 -6.525 -7.495 -4.786 219 HB2 ASN 26 1HB ASN 26 -4.335 -8.390 -6.335 220 HB3 ASN 26 2HB ASN 26 -5.306 -9.819 -6.253 221 HD21 ASN 26 1HD2 ASN 26 -8.018 -8.438 -6.263 222 HD22 ASN 26 2HD2 ASN 26 -8.107 -7.681 -7.829 223 H HIS 27 H HIS 27 -5.272 -9.115 -2.473 224 HA HIS 27 HA HIS 27 -7.417 -11.262 -2.348 225 HB2 HIS 27 1HB HIS 27 -4.974 -11.939 -2.097 226 HB3 HIS 27 2HB HIS 27 -4.991 -11.112 -0.556 227 HD1 HIS 27 1HD HIS 27 -6.204 -14.310 -2.274 228 HD2 HIS 27 2HD HIS 27 -6.378 -12.292 1.438 229 HE1 HIS 27 1HE HIS 27 -6.877 -16.079 -0.505 230 HE2 HIS 27 2HE HIS 27 -7.040 -14.828 1.754 231 H ALA 28 H ALA 28 -6.936 -8.249 -1.407 232 HA ALA 28 HA ALA 28 -7.666 -8.283 1.446 233 HB1 ALA 28 1HB ALA 28 -6.313 -6.146 1.098 234 HB2 ALA 28 2HB ALA 28 -5.473 -7.683 0.675 235 HB3 ALA 28 3HB ALA 28 -6.171 -6.684 -0.619 236 H GLN 29 H GLN 29 -8.005 -6.251 -1.455 237 HA GLN 29 HA GLN 29 -10.216 -4.643 -0.946 238 HB2 GLN 29 1HB GLN 29 -10.228 -4.464 -3.359 239 HB3 GLN 29 2HB GLN 29 -8.596 -4.663 -2.872 240 HG2 GLN 29 1HG GLN 29 -10.343 -6.404 -4.564 241 HG3 GLN 29 2HG GLN 29 -8.785 -5.752 -4.846 242 HE21 GLN 29 1HE2 GLN 29 -10.113 -8.532 -4.491 243 HE22 GLN 29 2HE2 GLN 29 -8.849 -9.490 -3.820 244 H GLU 30 H GLU 30 -10.098 -8.080 -1.937 245 HA GLU 30 HA GLU 30 -12.824 -8.597 -2.120 246 HB2 GLU 30 1HB GLU 30 -10.378 -10.057 -2.211 247 HB3 GLU 30 2HB GLU 30 -11.311 -10.871 -1.006 248 HG2 GLU 30 1HG GLU 30 -12.388 -10.176 -3.784 249 HG3 GLU 30 2HG GLU 30 -11.595 -11.696 -3.388 250 H GLN 31 H GLN 31 -10.984 -8.099 0.863 251 HA GLN 31 HA GLN 31 -12.760 -9.683 2.563 252 HB2 GLN 31 1HB GLN 31 -10.753 -7.518 3.356 253 HB3 GLN 31 2HB GLN 31 -11.514 -8.716 4.403 254 HG2 GLN 31 1HG GLN 31 -10.412 -10.511 3.103 255 HG3 GLN 31 2HG GLN 31 -9.532 -9.312 2.170 256 HE21 GLN 31 1HE2 GLN 31 -8.668 -11.456 4.141 257 HE22 GLN 31 2HE2 GLN 31 -7.613 -10.590 5.264 258 H LEU 32 H LEU 32 -12.207 -6.291 1.746 259 HA LEU 32 HA LEU 32 -14.344 -5.253 3.449 260 HB2 LEU 32 1HB LEU 32 -12.795 -3.911 1.177 261 HB3 LEU 32 2HB LEU 32 -13.935 -3.135 2.275 262 HG LEU 32 HG LEU 32 -11.107 -3.957 2.691 263 HD11 LEU 32 1HD1 LEU 32 -12.614 -1.775 4.179 264 HD12 LEU 32 2HD1 LEU 32 -10.892 -1.918 3.914 265 HD13 LEU 32 3HD1 LEU 32 -11.950 -1.531 2.542 266 HD21 LEU 32 3HD2 LEU 32 -11.401 -3.875 5.217 267 HD22 LEU 32 1HD2 LEU 32 -13.119 -4.190 4.937 268 HD23 LEU 32 2HD2 LEU 32 -11.895 -5.371 4.426 269 H GLY 33 H GLY 33 -13.908 -5.477 -0.130 270 HA2 GLY 33 1HA GLY 33 -15.502 -6.204 -1.672 271 HA3 GLY 33 2HA GLY 33 -16.796 -6.004 -0.467 272 H ASP 34 H ASP 34 -18.134 -4.360 -1.164 273 HA ASP 34 HA ASP 34 -17.354 -2.125 -2.738 274 HB2 ASP 34 1HB ASP 34 -19.741 -3.195 -1.386 275 HB3 ASP 34 2HB ASP 34 -19.539 -1.546 -1.011 276 H VAL 35 H VAL 35 -16.316 -0.332 -2.003 277 HA VAL 35 HA VAL 35 -16.062 0.055 0.932 278 HB VAL 35 HB VAL 35 -14.275 1.349 -1.122 279 HG11 VAL 35 1HG1 VAL 35 -12.950 1.969 0.725 280 HG12 VAL 35 2HG1 VAL 35 -14.559 2.151 1.445 281 HG13 VAL 35 3HG1 VAL 35 -13.631 0.730 1.789 282 HG21 VAL 35 3HG2 VAL 35 -13.994 -1.248 0.411 283 HG22 VAL 35 1HG2 VAL 35 -13.727 -0.967 -1.334 284 HG23 VAL 35 2HG2 VAL 35 -12.589 -0.332 -0.135 285 H VAL 36 H VAL 36 -15.484 2.907 0.302 286 HA VAL 36 HA VAL 36 -17.753 4.296 -0.579 287 HB VAL 36 HB VAL 36 -18.317 5.032 1.811 288 HG11 VAL 36 1HG1 VAL 36 -19.463 2.265 1.307 289 HG12 VAL 36 2HG1 VAL 36 -20.253 3.678 2.008 290 HG13 VAL 36 3HG1 VAL 36 -19.879 3.642 0.274 291 HG21 VAL 36 3HG2 VAL 36 -17.022 2.465 2.535 292 HG22 VAL 36 1HG2 VAL 36 -16.905 4.060 3.288 293 HG23 VAL 36 2HG2 VAL 36 -18.371 3.099 3.500 294 H TYR 37 H TYR 37 -14.965 3.926 1.730 295 HA TYR 37 HA TYR 37 -14.059 6.632 0.884 296 HB2 TYR 37 1HB TYR 37 -15.393 6.903 2.954 297 HB3 TYR 37 2HB TYR 37 -14.397 5.701 3.767 298 HD1 TYR 37 1HD TYR 37 -13.968 8.871 1.770 299 HD2 TYR 37 2HD TYR 37 -12.685 6.577 5.197 300 HE1 TYR 37 1HE TYR 37 -12.316 10.607 2.285 301 HE2 TYR 37 2HE TYR 37 -11.082 8.341 5.769 302 HH TYR 37 HH TYR 37 -9.959 10.209 5.002 303 H VAL 38 H VAL 38 -11.840 6.955 1.001 304 HA VAL 38 HA VAL 38 -10.063 4.918 2.161 305 HB VAL 38 HB VAL 38 -9.879 6.135 -0.622 306 HG11 VAL 38 1HG1 VAL 38 -7.678 4.676 0.897 307 HG12 VAL 38 2HG1 VAL 38 -7.606 5.154 -0.820 308 HG13 VAL 38 3HG1 VAL 38 -7.674 6.385 0.430 309 HG21 VAL 38 3HG2 VAL 38 -9.423 3.224 -0.073 310 HG22 VAL 38 1HG2 VAL 38 -11.060 3.876 -0.341 311 HG23 VAL 38 2HG2 VAL 38 -9.815 4.043 -1.590 312 H ASP 39 H ASP 39 -8.885 5.808 3.568 313 HA ASP 39 HA ASP 39 -8.943 8.686 3.749 314 HB2 ASP 39 1HB ASP 39 -9.268 7.063 5.742 315 HB3 ASP 39 2HB ASP 39 -7.561 6.700 5.589 316 H LEU 40 H LEU 40 -6.959 9.938 3.533 317 HA LEU 40 HA LEU 40 -4.755 8.438 2.238 318 HB2 LEU 40 1HB LEU 40 -5.952 11.068 1.274 319 HB3 LEU 40 2HB LEU 40 -4.463 10.377 0.678 320 HG LEU 40 HG LEU 40 -7.158 8.950 0.478 321 HD11 LEU 40 1HD1 LEU 40 -7.178 11.040 -0.819 322 HD12 LEU 40 2HD1 LEU 40 -5.666 10.568 -1.631 323 HD13 LEU 40 3HD1 LEU 40 -7.157 9.626 -1.874 324 HD21 LEU 40 3HD2 LEU 40 -5.950 7.600 -1.256 325 HD22 LEU 40 1HD2 LEU 40 -4.443 8.427 -0.817 326 HD23 LEU 40 2HD2 LEU 40 -5.280 7.382 0.361 327 HA PRO 41 HA PRO 41 -2.322 10.819 5.067 328 HB2 PRO 41 1HB PRO 41 0.103 10.759 3.621 329 HB3 PRO 41 2HB PRO 41 -0.468 9.633 4.868 330 HG2 PRO 41 1HG PRO 41 -0.275 9.140 1.975 331 HG3 PRO 41 2HG PRO 41 -0.647 8.016 3.291 332 HD2 PRO 41 1HD PRO 41 -2.447 9.277 1.399 333 HD3 PRO 41 2HD PRO 41 -2.787 8.037 2.641 334 H GLU 42 H GLU 42 -0.429 12.750 4.801 335 HA GLU 42 HA GLU 42 -1.257 14.738 2.804 336 HB2 GLU 42 1HB GLU 42 -1.142 15.215 5.362 337 HB3 GLU 42 2HB GLU 42 0.593 14.981 5.208 338 HG2 GLU 42 1HG GLU 42 -0.274 16.846 3.155 339 HG3 GLU 42 2HG GLU 42 -1.056 17.234 4.683 340 H VAL 43 H VAL 43 0.637 15.797 1.728 341 HA VAL 43 HA VAL 43 2.309 13.757 0.658 342 HB VAL 43 HB VAL 43 0.858 15.624 -0.426 343 HG11 VAL 43 1HG1 VAL 43 2.126 17.532 0.674 344 HG12 VAL 43 2HG1 VAL 43 3.494 17.114 -0.399 345 HG13 VAL 43 3HG1 VAL 43 1.948 17.633 -1.093 346 HG21 VAL 43 3HG2 VAL 43 2.184 15.465 -2.463 347 HG22 VAL 43 1HG2 VAL 43 3.585 14.933 -1.509 348 HG23 VAL 43 2HG2 VAL 43 2.133 13.913 -1.598 349 H GLY 44 H GLY 44 2.994 14.889 3.293 350 HA2 GLY 44 1HA GLY 44 5.931 14.730 2.997 351 HA3 GLY 44 2HA GLY 44 5.336 16.200 3.759 352 H ARG 45 H ARG 45 3.331 13.455 4.460 353 HA ARG 45 HA ARG 45 4.058 13.663 7.275 354 HB2 ARG 45 1HB ARG 45 1.710 13.217 6.343 355 HB3 ARG 45 2HB ARG 45 2.265 11.604 5.915 356 HG2 ARG 45 1HG ARG 45 3.006 11.747 8.601 357 HG3 ARG 45 2HG ARG 45 1.574 12.775 8.560 358 HD2 ARG 45 1HD ARG 45 0.331 10.891 7.470 359 HD3 ARG 45 2HD ARG 45 1.780 9.895 7.607 360 HE ARG 45 HE ARG 45 1.520 9.731 9.919 361 HH11 ARG 45 2HH2 ARG 45 -1.215 11.472 8.534 362 HH12 ARG 45 1HH2 ARG 45 -1.914 11.920 10.039 363 HH21 ARG 45 2HH1 ARG 45 0.301 9.841 11.889 364 HH22 ARG 45 1HH1 ARG 45 -1.202 10.672 11.913 365 H GLU 46 H GLU 46 5.503 12.246 8.468 366 HA GLU 46 HA GLU 46 6.873 10.256 6.884 367 HB2 GLU 46 1HB GLU 46 7.139 11.094 9.813 368 HB3 GLU 46 2HB GLU 46 8.168 9.969 8.913 369 HG2 GLU 46 1HG GLU 46 8.351 11.957 7.222 370 HG3 GLU 46 2HG GLU 46 7.725 12.857 8.543 371 H VAL 47 H VAL 47 6.796 8.019 7.274 372 HA VAL 47 HA VAL 47 4.982 6.727 8.849 373 HB VAL 47 HB VAL 47 6.301 6.315 6.178 374 HG11 VAL 47 1HG1 VAL 47 5.443 4.618 6.783 375 HG12 VAL 47 2HG1 VAL 47 3.976 5.395 7.473 376 HG13 VAL 47 3HG1 VAL 47 4.267 5.259 5.663 377 HG21 VAL 47 3HG2 VAL 47 3.963 8.203 6.653 378 HG22 VAL 47 1HG2 VAL 47 5.426 8.463 5.622 379 HG23 VAL 47 2HG2 VAL 47 4.250 7.309 5.127 380 H LYS 48 H LYS 48 5.768 4.316 8.599 381 HA LYS 48 HA LYS 48 8.489 3.644 9.380 382 HB2 LYS 48 1HB LYS 48 5.984 3.462 11.081 383 HB3 LYS 48 2HB LYS 48 7.366 2.492 11.368 384 HG2 LYS 48 1HG LYS 48 8.778 4.502 11.673 385 HG3 LYS 48 2HG LYS 48 7.387 5.553 11.331 386 HD2 LYS 48 1HD LYS 48 6.183 4.544 13.289 387 HD3 LYS 48 2HD LYS 48 7.703 3.732 13.745 388 HE2 LYS 48 1HE LYS 48 7.364 6.744 13.272 389 HE3 LYS 48 2HE LYS 48 7.294 5.972 14.871 390 HZ1 LYS 48 3HZ LYS 48 9.549 5.331 14.672 391 HZ2 LYS 48 1HZ LYS 48 9.678 5.793 13.109 392 HZ3 LYS 48 2HZ LYS 48 9.474 6.940 14.264 393 H LYS 49 H LYS 49 8.449 1.106 9.560 394 HA LYS 49 HA LYS 49 6.915 0.110 7.311 395 HB2 LYS 49 1HB LYS 49 8.300 -1.854 7.444 396 HB3 LYS 49 2HB LYS 49 9.279 -0.429 7.740 397 HG2 LYS 49 1HG LYS 49 9.422 -0.923 10.120 398 HG3 LYS 49 2HG LYS 49 8.264 -2.261 9.973 399 HD2 LYS 49 1HD LYS 49 9.824 -3.456 8.449 400 HD3 LYS 49 2HD LYS 49 10.987 -2.118 8.597 401 HE2 LYS 49 1HE LYS 49 11.004 -2.534 11.106 402 HE3 LYS 49 2HE LYS 49 10.055 -3.995 10.802 403 HZ1 LYS 49 3HZ LYS 49 12.780 -3.438 9.749 404 HZ2 LYS 49 1HZ LYS 49 12.394 -4.488 10.961 405 HZ3 LYS 49 2HZ LYS 49 11.948 -4.842 9.463 406 H GLY 50 H GLY 50 5.400 0.857 9.443 407 HA2 GLY 50 1HA GLY 50 3.315 -0.947 9.256 408 HA3 GLY 50 2HA GLY 50 4.042 -1.291 10.842 409 H GLU 51 H GLU 51 3.217 1.664 8.864 410 HA GLU 51 HA GLU 51 2.033 2.810 11.316 411 HB2 GLU 51 1HB GLU 51 4.095 3.910 9.545 412 HB3 GLU 51 2HB GLU 51 2.686 4.950 9.571 413 HG2 GLU 51 1HG GLU 51 4.103 3.964 12.065 414 HG3 GLU 51 2HG GLU 51 4.393 5.526 11.273 415 H VAL 52 H VAL 52 0.180 4.045 11.037 416 HA VAL 52 HA VAL 52 -1.401 3.093 8.733 417 HB VAL 52 HB VAL 52 -2.495 4.217 11.328 418 HG11 VAL 52 1HG1 VAL 52 -3.975 4.566 9.405 419 HG12 VAL 52 2HG1 VAL 52 -3.744 2.885 8.875 420 HG13 VAL 52 3HG1 VAL 52 -4.612 3.248 10.377 421 HG21 VAL 52 3HG2 VAL 52 -3.153 1.866 11.783 422 HG22 VAL 52 1HG2 VAL 52 -2.210 1.356 10.359 423 HG23 VAL 52 2HG2 VAL 52 -1.395 2.069 11.774 424 H VAL 53 H VAL 53 -1.057 4.473 7.208 425 HA VAL 53 HA VAL 53 -1.223 7.421 7.653 426 HB VAL 53 HB VAL 53 0.281 7.517 5.637 427 HG11 VAL 53 1HG1 VAL 53 1.317 7.687 7.863 428 HG12 VAL 53 2HG1 VAL 53 1.434 5.923 7.959 429 HG13 VAL 53 3HG1 VAL 53 2.369 6.788 6.743 430 HG21 VAL 53 3HG2 VAL 53 -0.293 5.250 4.751 431 HG22 VAL 53 1HG2 VAL 53 1.449 5.517 4.898 432 HG23 VAL 53 2HG2 VAL 53 0.618 4.523 6.123 433 H ALA 54 H ALA 54 -3.102 4.903 6.654 434 HA ALA 54 HA ALA 54 -4.619 6.314 4.598 435 HB1 ALA 54 1HB ALA 54 -2.678 5.669 3.299 436 HB2 ALA 54 2HB ALA 54 -2.658 4.053 4.042 437 HB3 ALA 54 3HB ALA 54 -3.964 4.508 2.904 438 H SER 55 H SER 55 -5.985 5.619 6.629 439 HA SER 55 HA SER 55 -6.704 2.803 6.823 440 HB2 SER 55 1HB SER 55 -7.711 5.455 7.822 441 HB3 SER 55 2HB SER 55 -8.709 4.031 8.058 442 HG SER 55 HG SER 55 -6.654 4.868 9.508 443 H ILE 56 H ILE 56 -9.141 2.164 6.367 444 HA ILE 56 HA ILE 56 -10.191 3.411 3.942 445 HB ILE 56 HB ILE 56 -9.695 0.413 3.883 446 HG12 ILE 56 1HG1 ILE 56 -7.862 2.406 2.631 447 HG13 ILE 56 2HG1 ILE 56 -7.442 1.341 3.980 448 HG21 ILE 56 1HG2 ILE 56 -10.308 2.527 1.767 449 HG22 ILE 56 2HG2 ILE 56 -10.286 0.763 1.491 450 HG23 ILE 56 3HG2 ILE 56 -11.507 1.480 2.526 451 HD11 ILE 56 3HD1 ILE 56 -7.773 -0.646 2.615 452 HD12 ILE 56 1HD1 ILE 56 -8.181 0.350 1.195 453 HD13 ILE 56 2HD1 ILE 56 -6.572 0.427 1.881 454 H GLU 57 H GLU 57 -12.296 3.807 4.691 455 HA GLU 57 HA GLU 57 -13.515 1.839 6.502 456 HB2 GLU 57 1HB GLU 57 -13.674 4.784 6.251 457 HB3 GLU 57 2HB GLU 57 -15.260 4.005 6.211 458 HG2 GLU 57 1HG GLU 57 -14.723 2.715 8.220 459 HG3 GLU 57 2HG GLU 57 -13.143 3.470 8.314 460 H SER 58 H SER 58 -14.770 0.461 5.584 461 HA SER 58 HA SER 58 -15.837 0.849 2.847 462 HB2 SER 58 1HB SER 58 -16.067 -1.632 2.826 463 HB3 SER 58 2HB SER 58 -14.413 -1.078 3.059 464 HG SER 58 HG SER 58 -14.653 -1.421 5.289 465 H VAL 59 H VAL 59 -17.933 -0.961 2.880 466 HA VAL 59 HA VAL 59 -20.049 0.525 3.903 467 HB VAL 59 HB VAL 59 -21.369 -1.566 3.470 468 HG11 VAL 59 1HG1 VAL 59 -21.040 0.102 1.727 469 HG12 VAL 59 2HG1 VAL 59 -19.496 -0.638 1.258 470 HG13 VAL 59 3HG1 VAL 59 -21.013 -1.527 1.037 471 HG21 VAL 59 3HG2 VAL 59 -18.693 -2.748 2.571 472 HG22 VAL 59 1HG2 VAL 59 -19.589 -3.257 4.010 473 HG23 VAL 59 2HG2 VAL 59 -20.275 -3.483 2.391 474 H LYS 60 H LYS 60 -18.125 -1.927 5.682 475 HA LYS 60 HA LYS 60 -18.943 -0.692 8.055 476 HB2 LYS 60 1HB LYS 60 -20.991 -2.312 7.522 477 HB3 LYS 60 2HB LYS 60 -19.944 -3.560 8.129 478 HG2 LYS 60 1HG LYS 60 -21.249 -2.814 9.978 479 HG3 LYS 60 2HG LYS 60 -19.644 -2.135 10.233 480 HD2 LYS 60 1HD LYS 60 -20.791 -0.252 10.683 481 HD3 LYS 60 2HD LYS 60 -20.762 -0.032 8.939 482 HE2 LYS 60 1HE LYS 60 -23.005 -1.260 10.583 483 HE3 LYS 60 2HE LYS 60 -22.985 0.359 9.877 484 HZ1 LYS 60 3HZ LYS 60 -22.929 -0.673 7.684 485 HZ2 LYS 60 1HZ LYS 60 -22.974 -2.174 8.344 486 HZ3 LYS 60 2HZ LYS 60 -24.252 -1.156 8.546 487 H ALA 61 H ALA 61 -16.432 -1.214 6.949 488 HA ALA 61 HA ALA 61 -15.260 -2.532 9.252 489 HB1 ALA 61 1HB ALA 61 -13.840 -4.060 8.052 490 HB2 ALA 61 2HB ALA 61 -15.465 -4.331 7.376 491 HB3 ALA 61 3HB ALA 61 -14.301 -3.352 6.495 492 H ALA 62 H ALA 62 -12.940 -2.124 9.295 493 HA ALA 62 HA ALA 62 -12.001 0.195 7.729 494 HB1 ALA 62 1HB ALA 62 -11.375 -0.542 10.618 495 HB2 ALA 62 2HB ALA 62 -10.572 0.727 9.673 496 HB3 ALA 62 3HB ALA 62 -12.302 0.878 10.061 497 H ALA 63 H ALA 63 -9.809 -0.113 7.043 498 HA ALA 63 HA ALA 63 -8.332 -2.447 8.026 499 HB1 ALA 63 1HB ALA 63 -9.471 -3.412 6.092 500 HB2 ALA 63 2HB ALA 63 -8.830 -2.119 5.042 501 HB3 ALA 63 3HB ALA 63 -7.737 -3.286 5.827 502 H ASP 64 H ASP 64 -7.461 -0.528 9.038 503 HA ASP 64 HA ASP 64 -5.903 1.505 8.269 504 HB2 ASP 64 1HB ASP 64 -4.937 -0.775 10.060 505 HB3 ASP 64 2HB ASP 64 -4.437 0.903 10.108 506 H VAL 65 H VAL 65 -4.662 1.613 6.352 507 HA VAL 65 HA VAL 65 -3.256 -0.804 5.493 508 HB VAL 65 HB VAL 65 -3.126 2.010 4.476 509 HG11 VAL 65 1HG1 VAL 65 -1.964 -0.557 3.319 510 HG12 VAL 65 2HG1 VAL 65 -1.997 1.002 2.475 511 HG13 VAL 65 3HG1 VAL 65 -1.029 0.820 3.929 512 HG21 VAL 65 3HG2 VAL 65 -5.316 0.791 4.171 513 HG22 VAL 65 1HG2 VAL 65 -4.540 1.174 2.644 514 HG23 VAL 65 2HG2 VAL 65 -4.459 -0.484 3.320 515 H TYR 66 H TYR 66 -1.224 -1.398 6.310 516 HA TYR 66 HA TYR 66 0.061 0.569 8.089 517 HB2 TYR 66 1HB TYR 66 0.429 -2.452 7.927 518 HB3 TYR 66 2HB TYR 66 1.209 -1.371 9.054 519 HD1 TYR 66 2HD TYR 66 -0.219 -0.183 10.819 520 HD2 TYR 66 1HD TYR 66 -1.740 -3.295 8.265 521 HE1 TYR 66 2HE TYR 66 -2.014 -0.659 12.463 522 HE2 TYR 66 1HE TYR 66 -3.506 -3.802 9.853 523 HH TYR 66 HH TYR 66 -3.580 -2.285 13.108 524 H ALA 67 H ALA 67 1.324 1.704 6.815 525 HA ALA 67 HA ALA 67 2.409 1.360 4.530 526 HB1 ALA 67 1HB ALA 67 4.316 2.887 5.155 527 HB2 ALA 67 2HB ALA 67 2.736 3.421 5.763 528 HB3 ALA 67 3HB ALA 67 3.908 2.598 6.837 529 HA PRO 68 HA PRO 68 4.911 -2.122 4.516 530 HB2 PRO 68 1HB PRO 68 6.125 -2.007 2.083 531 HB3 PRO 68 2HB PRO 68 4.358 -2.084 2.218 532 HG2 PRO 68 1HG PRO 68 5.962 0.446 1.856 533 HG3 PRO 68 2HG PRO 68 4.572 -0.166 0.887 534 HD2 PRO 68 1HD PRO 68 4.141 1.553 2.921 535 HD3 PRO 68 2HD PRO 68 3.051 0.139 2.687 536 H LEU 69 H LEU 69 6.583 0.960 4.083 537 HA LEU 69 HA LEU 69 9.043 -0.092 5.306 538 HB2 LEU 69 1HB LEU 69 8.798 1.553 2.741 539 HB3 LEU 69 2HB LEU 69 10.263 1.495 3.671 540 HG LEU 69 HG LEU 69 10.616 0.154 1.884 541 HD11 LEU 69 1HD1 LEU 69 10.037 -1.703 4.233 542 HD12 LEU 69 2HD1 LEU 69 10.888 -2.210 2.783 543 HD13 LEU 69 3HD1 LEU 69 11.590 -0.939 3.765 544 HD21 LEU 69 3HD2 LEU 69 9.274 -1.601 0.997 545 HD22 LEU 69 1HD2 LEU 69 8.157 -1.497 2.346 546 HD23 LEU 69 2HD2 LEU 69 8.265 -0.160 1.184 547 H SER 70 H SER 70 10.309 1.628 6.102 548 HA SER 70 HA SER 70 8.981 3.903 7.339 549 HB2 SER 70 1HB SER 70 11.970 3.636 7.030 550 HB3 SER 70 2HB SER 70 11.041 4.288 8.382 551 HG SER 70 HG SER 70 11.288 1.521 7.633 552 H GLY 71 H GLY 71 8.896 6.031 6.430 553 HA2 GLY 71 1HA GLY 71 10.560 7.050 4.489 554 HA3 GLY 71 2HA GLY 71 9.297 6.232 3.596 555 H LYS 72 H LYS 72 8.937 8.628 2.950 556 HA LYS 72 HA LYS 72 7.004 9.807 4.858 557 HB2 LYS 72 1HB LYS 72 8.923 11.573 3.352 558 HB3 LYS 72 2HB LYS 72 7.807 11.971 4.663 559 HG2 LYS 72 1HG LYS 72 9.885 12.038 5.697 560 HG3 LYS 72 2HG LYS 72 9.300 10.408 6.104 561 HD2 LYS 72 1HD LYS 72 11.196 9.590 5.361 562 HD3 LYS 72 2HD LYS 72 10.792 10.088 3.699 563 HE2 LYS 72 1HE LYS 72 12.212 11.796 5.807 564 HE3 LYS 72 2HE LYS 72 13.022 10.909 4.499 565 HZ1 LYS 72 3HZ LYS 72 10.974 12.991 4.000 566 HZ2 LYS 72 1HZ LYS 72 12.550 13.312 4.100 567 HZ3 LYS 72 2HZ LYS 72 11.990 12.299 2.894 568 H ILE 73 H ILE 73 5.197 10.505 3.867 569 HA ILE 73 HA ILE 73 4.666 9.535 1.199 570 HB ILE 73 HB ILE 73 3.062 11.345 2.994 571 HG12 ILE 73 1HG1 ILE 73 3.314 9.416 4.288 572 HG13 ILE 73 2HG1 ILE 73 1.745 9.276 3.586 573 HG21 ILE 73 1HG2 ILE 73 2.141 9.609 0.630 574 HG22 ILE 73 2HG2 ILE 73 1.118 10.646 1.652 575 HG23 ILE 73 3HG2 ILE 73 2.279 11.379 0.624 576 HD11 ILE 73 3HD1 ILE 73 2.558 7.131 3.317 577 HD12 ILE 73 1HD1 ILE 73 2.903 7.828 1.724 578 HD13 ILE 73 2HD1 ILE 73 4.195 7.682 2.922 579 H VAL 74 H VAL 74 4.229 10.782 -0.624 580 HA VAL 74 HA VAL 74 5.074 13.585 -0.739 581 HB VAL 74 HB VAL 74 6.661 11.289 -0.969 582 HG11 VAL 74 1HG1 VAL 74 6.167 10.645 -3.075 583 HG12 VAL 74 2HG1 VAL 74 6.646 12.220 -3.756 584 HG13 VAL 74 3HG1 VAL 74 7.854 11.151 -2.988 585 HG21 VAL 74 3HG2 VAL 74 8.601 12.782 -1.336 586 HG22 VAL 74 1HG2 VAL 74 7.475 14.097 -1.768 587 HG23 VAL 74 2HG2 VAL 74 7.492 13.423 -0.128 588 H GLU 75 H GLU 75 3.328 10.762 -1.896 589 HA GLU 75 HA GLU 75 2.224 12.660 -3.581 590 HB2 GLU 75 1HB GLU 75 3.871 10.667 -4.753 591 HB3 GLU 75 2HB GLU 75 2.218 10.125 -5.054 592 HG2 GLU 75 1HG GLU 75 1.732 12.034 -6.356 593 HG3 GLU 75 2HG GLU 75 3.148 12.921 -5.759 594 H VAL 76 H VAL 76 -0.191 12.022 -3.958 595 HA VAL 76 HA VAL 76 -1.131 9.649 -2.494 596 HB VAL 76 HB VAL 76 -2.968 10.988 -1.495 597 HG11 VAL 76 1HG1 VAL 76 -1.718 11.904 0.356 598 HG12 VAL 76 2HG1 VAL 76 -0.935 10.404 -0.170 599 HG13 VAL 76 3HG1 VAL 76 -0.229 11.981 -0.597 600 HG21 VAL 76 3HG2 VAL 76 -2.782 13.435 -1.348 601 HG22 VAL 76 1HG2 VAL 76 -1.320 13.413 -2.359 602 HG23 VAL 76 2HG2 VAL 76 -2.881 12.928 -3.040 603 H ASN 77 H ASN 77 -3.181 8.888 -3.387 604 HA ASN 77 HA ASN 77 -3.598 9.847 -6.166 605 HB2 ASN 77 1HB ASN 77 -3.081 7.396 -5.515 606 HB3 ASN 77 2HB ASN 77 -4.699 7.324 -4.877 607 HD21 ASN 77 1HD2 ASN 77 -5.009 5.657 -6.450 608 HD22 ASN 77 2HD2 ASN 77 -5.395 5.953 -8.121 609 H GLU 78 H GLU 78 -4.832 11.788 -5.589 610 HA GLU 78 HA GLU 78 -6.946 11.754 -3.651 611 HB2 GLU 78 1HB GLU 78 -6.161 13.615 -5.929 612 HB3 GLU 78 2HB GLU 78 -7.665 13.825 -5.059 613 HG2 GLU 78 1HG GLU 78 -6.227 13.805 -2.889 614 HG3 GLU 78 2HG GLU 78 -4.871 14.115 -3.986 615 H LYS 79 H LYS 79 -6.729 10.504 -6.714 616 HA LYS 79 HA LYS 79 -9.444 10.451 -7.630 617 HB2 LYS 79 1HB LYS 79 -6.976 8.720 -7.999 618 HB3 LYS 79 2HB LYS 79 -8.437 8.302 -8.801 619 HG2 LYS 79 1HG LYS 79 -7.114 11.024 -9.075 620 HG3 LYS 79 2HG LYS 79 -6.723 9.672 -10.130 621 HD2 LYS 79 1HD LYS 79 -9.584 10.595 -9.767 622 HD3 LYS 79 2HD LYS 79 -8.518 11.411 -10.906 623 HE2 LYS 79 1HE LYS 79 -9.052 8.403 -10.946 624 HE3 LYS 79 2HE LYS 79 -9.975 9.585 -11.888 625 HZ1 LYS 79 3HZ LYS 79 -7.090 9.070 -12.155 626 HZ2 LYS 79 1HZ LYS 79 -8.244 8.638 -13.202 627 HZ3 LYS 79 2HZ LYS 79 -7.926 10.242 -12.976 628 H LEU 80 H LEU 80 -7.897 8.626 -4.972 629 HA LEU 80 HA LEU 80 -9.937 6.539 -5.002 630 HB2 LEU 80 1HB LEU 80 -7.624 7.321 -3.202 631 HB3 LEU 80 2HB LEU 80 -8.756 6.081 -2.744 632 HG LEU 80 HG LEU 80 -6.437 5.689 -4.154 633 HD11 LEU 80 1HD1 LEU 80 -7.222 3.399 -4.418 634 HD12 LEU 80 2HD1 LEU 80 -7.638 4.095 -2.849 635 HD13 LEU 80 3HD1 LEU 80 -8.900 3.939 -4.099 636 HD21 LEU 80 3HD2 LEU 80 -8.695 5.207 -6.191 637 HD22 LEU 80 1HD2 LEU 80 -7.445 6.460 -6.359 638 HD23 LEU 80 2HD2 LEU 80 -6.996 4.765 -6.355 639 H ASP 81 H ASP 81 -9.761 9.753 -3.718 640 HA ASP 81 HA ASP 81 -11.715 9.424 -1.599 641 HB2 ASP 81 1HB ASP 81 -10.343 11.446 -1.804 642 HB3 ASP 81 2HB ASP 81 -10.978 11.739 -3.420 643 H THR 82 H THR 82 -11.798 9.653 -5.176 644 HA THR 82 HA THR 82 -14.756 9.784 -5.067 645 HB THR 82 HB THR 82 -14.550 10.835 -7.265 646 HG1 THR 82 1HG THR 82 -12.733 10.249 -8.153 647 HG21 THR 82 3HG2 THR 82 -13.673 12.957 -6.476 648 HG22 THR 82 1HG2 THR 82 -14.530 12.177 -5.145 649 HG23 THR 82 2HG2 THR 82 -12.753 12.176 -5.178 650 H GLU 83 H GLU 83 -12.152 7.654 -6.122 651 HA GLU 83 HA GLU 83 -14.302 5.667 -6.668 652 HB2 GLU 83 1HB GLU 83 -11.641 5.909 -7.982 653 HB3 GLU 83 2HB GLU 83 -12.687 4.478 -8.145 654 HG2 GLU 83 1HG GLU 83 -14.455 6.087 -9.133 655 HG3 GLU 83 2HG GLU 83 -13.129 7.238 -9.263 656 HA PRO 84 HA PRO 84 -11.616 4.201 -3.194 657 HB2 PRO 84 1HB PRO 84 -13.886 3.517 -1.616 658 HB3 PRO 84 2HB PRO 84 -12.782 4.907 -1.389 659 HG2 PRO 84 1HG PRO 84 -15.521 4.890 -2.466 660 HG3 PRO 84 2HG PRO 84 -14.550 6.261 -1.846 661 HD2 PRO 84 1HD PRO 84 -15.096 5.635 -4.557 662 HD3 PRO 84 2HD PRO 84 -13.889 6.825 -4.012 663 H GLU 85 H GLU 85 -14.491 3.098 -4.997 664 HA GLU 85 HA GLU 85 -14.130 0.288 -4.597 665 HB2 GLU 85 1HB GLU 85 -16.168 1.367 -5.569 666 HB3 GLU 85 2HB GLU 85 -15.226 1.785 -6.966 667 HG2 GLU 85 1HG GLU 85 -14.974 -0.834 -7.249 668 HG3 GLU 85 2HG GLU 85 -16.346 -0.881 -6.147 669 H LEU 86 H LEU 86 -12.087 2.622 -6.417 670 HA LEU 86 HA LEU 86 -11.376 0.784 -8.431 671 HB2 LEU 86 1HB LEU 86 -10.584 3.434 -7.753 672 HB3 LEU 86 2HB LEU 86 -9.127 2.505 -7.623 673 HG LEU 86 HG LEU 86 -10.696 3.366 -9.988 674 HD11 LEU 86 1HD1 LEU 86 -8.344 4.049 -9.290 675 HD12 LEU 86 2HD1 LEU 86 -7.838 2.410 -9.753 676 HD13 LEU 86 3HD1 LEU 86 -8.523 3.518 -10.975 677 HD21 LEU 86 3HD2 LEU 86 -9.746 1.524 -11.454 678 HD22 LEU 86 1HD2 LEU 86 -9.513 0.576 -9.963 679 HD23 LEU 86 2HD2 LEU 86 -11.151 1.080 -10.439 680 H ILE 87 H ILE 87 -10.489 0.845 -5.119 681 HA ILE 87 HA ILE 87 -8.120 -0.781 -5.290 682 HB ILE 87 HB ILE 87 -10.132 -0.449 -3.009 683 HG12 ILE 87 1HG1 ILE 87 -7.743 1.151 -3.969 684 HG13 ILE 87 2HG1 ILE 87 -9.302 1.711 -3.365 685 HG21 ILE 87 1HG2 ILE 87 -8.305 -1.260 -1.585 686 HG22 ILE 87 2HG2 ILE 87 -8.732 -2.447 -2.783 687 HG23 ILE 87 3HG2 ILE 87 -7.266 -1.464 -3.030 688 HD11 ILE 87 3HD1 ILE 87 -7.707 2.322 -1.720 689 HD12 ILE 87 1HD1 ILE 87 -8.492 0.915 -1.035 690 HD13 ILE 87 2HD1 ILE 87 -6.891 0.757 -1.788 691 H ASN 88 H ASN 88 -11.577 -1.519 -5.664 692 HA ASN 88 HA ASN 88 -11.267 -4.435 -5.415 693 HB2 ASN 88 1HB ASN 88 -13.345 -2.671 -6.811 694 HB3 ASN 88 2HB ASN 88 -13.326 -4.417 -6.822 695 HD21 ASN 88 1HD2 ASN 88 -12.878 -2.174 -3.960 696 HD22 ASN 88 2HD2 ASN 88 -14.129 -3.044 -3.059 697 H LYS 89 H LYS 89 -11.641 -1.975 -7.908 698 HA LYS 89 HA LYS 89 -11.777 -3.687 -9.998 699 HB2 LYS 89 1HB LYS 89 -11.920 -0.911 -9.611 700 HB3 LYS 89 2HB LYS 89 -10.706 -1.117 -10.843 701 HG2 LYS 89 1HG LYS 89 -13.478 -2.383 -10.869 702 HG3 LYS 89 2HG LYS 89 -13.024 -0.917 -11.713 703 HD2 LYS 89 1HD LYS 89 -11.856 -3.682 -12.246 704 HD3 LYS 89 2HD LYS 89 -13.096 -2.895 -13.205 705 HE2 LYS 89 1HE LYS 89 -11.618 -1.231 -14.016 706 HE3 LYS 89 2HE LYS 89 -10.386 -1.576 -12.788 707 HZ1 LYS 89 3HZ LYS 89 -11.143 -3.575 -14.808 708 HZ2 LYS 89 1HZ LYS 89 -9.936 -2.474 -15.047 709 HZ3 LYS 89 2HZ LYS 89 -9.801 -3.557 -13.853 710 H ASP 90 H ASP 90 -8.868 -1.838 -8.985 711 HA ASP 90 HA ASP 90 -7.103 -3.868 -10.069 712 HB2 ASP 90 1HB ASP 90 -7.585 -1.312 -11.564 713 HB3 ASP 90 2HB ASP 90 -5.892 -1.727 -11.311 714 HA PRO 91 HA PRO 91 -6.011 -1.543 -6.217 715 HB2 PRO 91 1HB PRO 91 -4.897 -3.719 -4.862 716 HB3 PRO 91 2HB PRO 91 -6.592 -3.217 -4.757 717 HG2 PRO 91 1HG PRO 91 -5.319 -5.330 -6.508 718 HG3 PRO 91 2HG PRO 91 -6.829 -5.448 -5.576 719 HD2 PRO 91 1HD PRO 91 -6.913 -4.998 -8.202 720 HD3 PRO 91 2HD PRO 91 -8.003 -4.085 -7.171 721 H GLU 92 H GLU 92 -4.119 -3.657 -8.319 722 HA GLU 92 HA GLU 92 -1.630 -2.379 -7.340 723 HB2 GLU 92 1HB GLU 92 -1.186 -4.887 -8.648 724 HB3 GLU 92 2HB GLU 92 -0.533 -4.275 -7.169 725 HG2 GLU 92 1HG GLU 92 -2.632 -5.019 -5.958 726 HG3 GLU 92 2HG GLU 92 -3.195 -5.731 -7.481 727 H GLY 93 H GLY 93 -3.663 -1.739 -9.477 728 HA2 GLY 93 1HA GLY 93 -1.768 -1.337 -11.739 729 HA3 GLY 93 2HA GLY 93 -3.508 -1.598 -11.937 730 H GLU 94 H GLU 94 -4.891 0.065 -10.509 731 HA GLU 94 HA GLU 94 -3.679 2.778 -10.753 732 HB2 GLU 94 1HB GLU 94 -6.384 1.749 -11.702 733 HB3 GLU 94 2HB GLU 94 -6.072 3.461 -11.424 734 HG2 GLU 94 1HG GLU 94 -3.894 2.940 -12.872 735 HG3 GLU 94 2HG GLU 94 -4.863 1.618 -13.464 736 H GLY 95 H GLY 95 -5.587 0.634 -8.709 737 HA2 GLY 95 1HA GLY 95 -6.640 2.821 -7.082 738 HA3 GLY 95 2HA GLY 95 -6.819 1.120 -6.813 739 H TRP 96 H TRP 96 -3.832 3.032 -7.279 740 HA TRP 96 HA TRP 96 -2.621 1.931 -4.845 741 HB2 TRP 96 1HB TRP 96 -0.790 3.459 -5.251 742 HB3 TRP 96 2HB TRP 96 -1.121 2.493 -6.684 743 HD1 TRP 96 HD TRP 96 -2.408 3.793 -8.709 744 HE1 TRP 96 1HE TRP 96 -2.320 6.184 -9.506 745 HE3 TRP 96 3HE TRP 96 -0.363 5.936 -4.553 746 HZ2 TRP 96 2HZ TRP 96 -1.389 8.738 -8.520 747 HZ3 TRP 96 3HZ TRP 96 0.050 8.446 -4.494 748 HH2 TRP 96 HH TRP 96 -0.399 9.795 -6.506 749 H LEU 97 H LEU 97 -2.102 3.252 -3.048 750 HA LEU 97 HA LEU 97 -4.360 5.088 -2.415 751 HB2 LEU 97 1HB LEU 97 -2.199 3.898 -0.653 752 HB3 LEU 97 2HB LEU 97 -3.636 4.799 -0.126 753 HG LEU 97 HG LEU 97 -4.082 2.238 -1.662 754 HD11 LEU 97 1HD1 LEU 97 -2.208 1.698 -0.104 755 HD12 LEU 97 2HD1 LEU 97 -3.175 2.355 1.225 756 HD13 LEU 97 3HD1 LEU 97 -3.724 0.897 0.359 757 HD21 LEU 97 3HD2 LEU 97 -5.988 3.562 -0.799 758 HD22 LEU 97 1HD2 LEU 97 -5.881 1.994 0.040 759 HD23 LEU 97 2HD2 LEU 97 -5.336 3.459 0.855 760 H PHE 98 H PHE 98 -0.781 4.865 -1.941 761 HA PHE 98 HA PHE 98 -0.434 7.724 -2.430 762 HB2 PHE 98 1HB PHE 98 0.674 8.019 -0.227 763 HB3 PHE 98 2HB PHE 98 -1.044 7.697 -0.092 764 HD1 PHE 98 2HD PHE 98 2.349 6.236 0.383 765 HD2 PHE 98 1HD PHE 98 -1.871 5.673 0.978 766 HE1 PHE 98 2HE PHE 98 2.793 4.413 1.980 767 HE2 PHE 98 1HE PHE 98 -1.387 3.639 2.339 768 HZ PHE 98 HZ PHE 98 0.935 3.065 2.926 769 H LYS 99 H LYS 99 1.949 8.253 -2.187 770 HA LYS 99 HA LYS 99 3.755 5.990 -2.767 771 HB2 LYS 99 1HB LYS 99 3.549 8.574 -4.320 772 HB3 LYS 99 2HB LYS 99 4.903 7.502 -4.430 773 HG2 LYS 99 1HG LYS 99 3.784 5.903 -5.641 774 HG3 LYS 99 2HG LYS 99 2.178 6.379 -5.054 775 HD2 LYS 99 1HD LYS 99 2.355 8.459 -6.398 776 HD3 LYS 99 2HD LYS 99 3.939 7.920 -6.997 777 HE2 LYS 99 1HE LYS 99 2.812 5.898 -7.937 778 HE3 LYS 99 2HE LYS 99 1.250 6.524 -7.383 779 HZ1 LYS 99 3HZ LYS 99 3.023 8.026 -9.207 780 HZ2 LYS 99 1HZ LYS 99 1.832 7.031 -9.736 781 HZ3 LYS 99 2HZ LYS 99 1.477 8.389 -8.862 782 H MET 100 H MET 100 5.966 6.535 -2.215 783 HA MET 100 HA MET 100 6.273 8.870 -0.446 784 HB2 MET 100 1HB MET 100 7.053 7.071 1.294 785 HB3 MET 100 2HB MET 100 5.408 7.587 1.167 786 HG2 MET 100 1HG MET 100 4.715 5.600 -0.012 787 HG3 MET 100 2HG MET 100 6.306 4.946 -0.044 788 HE1 MET 100 3HE MET 100 6.571 4.667 4.156 789 HE2 MET 100 1HE MET 100 7.633 4.650 2.734 790 HE3 MET 100 2HE MET 100 6.877 6.170 3.279 791 H GLU 101 H GLU 101 8.315 9.400 0.053 792 HA GLU 101 HA GLU 101 10.415 8.735 -1.851 793 HB2 GLU 101 1HB GLU 101 9.885 11.020 -1.004 794 HB3 GLU 101 2HB GLU 101 10.278 10.509 0.634 795 HG2 GLU 101 1HG GLU 101 12.654 10.028 -0.225 796 HG3 GLU 101 2HG GLU 101 12.156 10.731 -1.757 797 H ILE 102 H ILE 102 11.766 6.925 -1.505 798 HA ILE 102 HA ILE 102 11.321 5.487 0.925 799 HB ILE 102 HB ILE 102 12.872 3.842 0.037 800 HG12 ILE 102 1HG1 ILE 102 12.894 5.435 -2.558 801 HG13 ILE 102 2HG1 ILE 102 14.235 5.535 -1.412 802 HG21 ILE 102 1HG2 ILE 102 10.633 4.680 -1.854 803 HG22 ILE 102 2HG2 ILE 102 11.397 3.084 -1.806 804 HG23 ILE 102 3HG2 ILE 102 10.504 3.642 -0.408 805 HD11 ILE 102 3HD1 ILE 102 14.848 3.943 -3.055 806 HD12 ILE 102 1HD1 ILE 102 14.562 3.161 -1.479 807 HD13 ILE 102 2HD1 ILE 102 13.373 2.995 -2.775 808 H SER 103 H SER 103 12.244 5.759 2.850 809 HA SER 103 HA SER 103 14.716 7.280 3.124 810 HB2 SER 103 1HB SER 103 12.822 5.842 5.027 811 HB3 SER 103 2HB SER 103 14.341 6.550 5.569 812 HG SER 103 HG SER 103 13.418 8.355 5.573 813 H ASP 104 H ASP 104 13.858 3.866 2.848 814 HA ASP 104 HA ASP 104 16.648 3.093 3.465 815 HB2 ASP 104 1HB ASP 104 14.156 2.258 4.999 816 HB3 ASP 104 2HB ASP 104 15.517 1.155 4.837 817 H GLU 105 H GLU 105 16.756 2.630 1.160 818 HA GLU 105 HA GLU 105 14.885 0.746 -0.008 819 HB2 GLU 105 1HB GLU 105 15.781 1.445 -1.907 820 HB3 GLU 105 2HB GLU 105 16.698 2.570 -0.976 821 HG2 GLU 105 1HG GLU 105 18.659 1.580 -1.226 822 HG3 GLU 105 2HG GLU 105 18.076 -0.049 -1.215 823 H GLY 106 H GLY 106 17.221 0.399 2.347 824 HA2 GLY 106 1HA GLY 106 18.174 -2.277 1.537 825 HA3 GLY 106 2HA GLY 106 18.736 -1.302 2.885 826 H GLU 107 H GLU 107 15.945 -0.792 3.945 827 HA GLU 107 HA GLU 107 15.521 -3.308 5.363 828 HB2 GLU 107 1HB GLU 107 13.999 -0.673 5.281 829 HB3 GLU 107 2HB GLU 107 13.274 -2.123 5.960 830 HG2 GLU 107 1HG GLU 107 15.484 -2.303 7.370 831 HG3 GLU 107 2HG GLU 107 15.599 -0.570 7.024 832 H LEU 108 H LEU 108 14.878 -2.458 2.156 833 HA LEU 108 HA LEU 108 12.306 -3.644 1.852 834 HB2 LEU 108 1HB LEU 108 14.629 -3.701 -0.059 835 HB3 LEU 108 2HB LEU 108 13.000 -4.126 -0.493 836 HG LEU 108 HG LEU 108 14.056 -1.390 0.073 837 HD11 LEU 108 1HD1 LEU 108 12.623 -2.610 -2.326 838 HD12 LEU 108 2HD1 LEU 108 13.296 -0.953 -2.214 839 HD13 LEU 108 3HD1 LEU 108 14.388 -2.328 -2.159 840 HD21 LEU 108 3HD2 LEU 108 11.165 -2.105 -0.251 841 HD22 LEU 108 1HD2 LEU 108 12.020 -1.375 1.153 842 HD23 LEU 108 2HD2 LEU 108 11.859 -0.458 -0.333 843 H GLU 109 H GLU 109 15.574 -4.967 2.193 844 HA GLU 109 HA GLU 109 15.150 -7.635 1.294 845 HB2 GLU 109 1HB GLU 109 17.030 -6.385 3.340 846 HB3 GLU 109 2HB GLU 109 17.139 -8.068 2.849 847 HG2 GLU 109 1HG GLU 109 17.452 -5.676 0.985 848 HG3 GLU 109 2HG GLU 109 18.774 -6.594 1.696 849 H ASP 110 H ASP 110 14.009 -5.975 4.146 850 HA ASP 110 HA ASP 110 13.860 -8.379 5.799 851 HB2 ASP 110 1HB ASP 110 14.317 -5.844 6.447 852 HB3 ASP 110 2HB ASP 110 12.559 -5.737 6.474 853 H LEU 111 H LEU 111 11.984 -7.191 3.201 854 HA LEU 111 HA LEU 111 9.405 -8.218 4.351 855 HB2 LEU 111 1HB LEU 111 9.936 -6.638 1.826 856 HB3 LEU 111 2HB LEU 111 8.385 -7.107 2.460 857 HG LEU 111 HG LEU 111 10.218 -4.975 3.512 858 HD11 LEU 111 1HD1 LEU 111 7.237 -4.946 2.871 859 HD12 LEU 111 2HD1 LEU 111 8.350 -3.573 3.044 860 HD13 LEU 111 3HD1 LEU 111 8.447 -4.659 1.635 861 HD21 LEU 111 3HD2 LEU 111 9.428 -6.163 5.536 862 HD22 LEU 111 1HD2 LEU 111 8.618 -4.606 5.359 863 HD23 LEU 111 2HD2 LEU 111 7.752 -6.102 4.935 864 H LEU 112 H LEU 112 8.004 -9.047 2.501 865 HA LEU 112 HA LEU 112 9.100 -11.645 1.868 866 HB2 LEU 112 1HB LEU 112 6.451 -10.290 1.238 867 HB3 LEU 112 2HB LEU 112 6.773 -11.990 0.927 868 HG LEU 112 HG LEU 112 7.065 -10.837 3.724 869 HD11 LEU 112 1HD1 LEU 112 4.759 -11.481 4.180 870 HD12 LEU 112 2HD1 LEU 112 4.921 -10.161 3.009 871 HD13 LEU 112 3HD1 LEU 112 4.511 -11.806 2.440 872 HD21 LEU 112 3HD2 LEU 112 6.566 -13.160 4.402 873 HD22 LEU 112 1HD2 LEU 112 6.341 -13.640 2.703 874 HD23 LEU 112 2HD2 LEU 112 7.941 -13.139 3.298 875 H ASP 113 H ASP 113 9.522 -12.474 -0.064 876 HA ASP 113 HA ASP 113 9.806 -10.906 -2.505 877 HB2 ASP 113 1HB ASP 113 9.922 -13.907 -1.933 878 HB3 ASP 113 2HB ASP 113 10.280 -13.162 -3.497 879 H GLU 114 H GLU 114 8.683 -11.924 -4.457 880 HA GLU 114 HA GLU 114 5.862 -11.430 -4.225 881 HB2 GLU 114 1HB GLU 114 7.354 -10.689 -6.017 882 HB3 GLU 114 2HB GLU 114 7.670 -12.366 -6.476 883 HG2 GLU 114 1HG GLU 114 5.401 -12.643 -7.258 884 HG3 GLU 114 2HG GLU 114 4.933 -11.044 -6.676 885 H GLN 115 H GLN 115 7.833 -14.440 -4.738 886 HA GLN 115 HA GLN 115 5.509 -16.094 -4.965 887 HB2 GLN 115 1HB GLN 115 7.524 -16.911 -5.886 888 HB3 GLN 115 2HB GLN 115 8.491 -16.448 -4.472 889 HG2 GLN 115 1HG GLN 115 7.548 -18.160 -3.150 890 HG3 GLN 115 2HG GLN 115 6.378 -18.607 -4.414 891 HE21 GLN 115 1HE2 GLN 115 7.941 -20.507 -3.273 892 HE22 GLN 115 2HE2 GLN 115 9.124 -21.142 -4.437 893 H ALA 116 H ALA 116 7.806 -15.121 -2.390 894 HA ALA 116 HA ALA 116 6.833 -16.795 -0.311 895 HB1 ALA 116 1HB ALA 116 9.016 -15.596 -0.267 896 HB2 ALA 116 2HB ALA 116 8.147 -14.054 -0.074 897 HB3 ALA 116 3HB ALA 116 8.051 -15.287 1.194 898 H TYR 117 H TYR 117 5.857 -13.578 -1.406 899 HA TYR 117 HA TYR 117 3.964 -12.838 0.498 900 HB2 TYR 117 1HB TYR 117 4.605 -11.320 -1.166 901 HB3 TYR 117 2HB TYR 117 4.365 -12.463 -2.465 902 HD1 TYR 117 2HD TYR 117 2.194 -11.165 0.270 903 HD2 TYR 117 1HD TYR 117 2.708 -11.783 -3.954 904 HE1 TYR 117 2HE TYR 117 -0.172 -10.605 -0.068 905 HE2 TYR 117 1HE TYR 117 0.379 -11.150 -4.350 906 HH TYR 117 HH TYR 117 -1.861 -11.244 -1.582 907 H GLN 118 H GLN 118 3.518 -15.075 -2.300 908 HA GLN 118 HA GLN 118 0.672 -15.362 -1.755 909 HB2 GLN 118 1HB GLN 118 2.083 -17.428 -3.398 910 HB3 GLN 118 2HB GLN 118 0.546 -16.615 -3.668 911 HG2 GLN 118 1HG GLN 118 1.981 -14.512 -4.251 912 HG3 GLN 118 2HG GLN 118 3.344 -15.651 -4.213 913 HE21 GLN 118 1HE2 GLN 118 1.409 -14.096 -6.438 914 HE22 GLN 118 2HE2 GLN 118 1.346 -15.369 -7.652 915 H GLU 119 H GLU 119 3.622 -17.176 -1.065 916 HA GLU 119 HA GLU 119 2.459 -19.495 0.145 917 HB2 GLU 119 1HB GLU 119 5.067 -18.075 0.784 918 HB3 GLU 119 2HB GLU 119 4.599 -19.666 1.392 919 HG2 GLU 119 1HG GLU 119 4.559 -20.608 -0.837 920 HG3 GLU 119 2HG GLU 119 4.793 -19.028 -1.580 921 H PHE 120 H PHE 120 3.406 -16.371 1.624 922 HA PHE 120 HA PHE 120 2.550 -16.761 4.277 923 HB2 PHE 120 1HB PHE 120 3.870 -14.867 3.227 924 HB3 PHE 120 2HB PHE 120 2.334 -14.182 2.712 925 HD1 PHE 120 1HD PHE 120 4.203 -15.387 5.714 926 HD2 PHE 120 2HD PHE 120 0.978 -12.923 4.295 927 HE1 PHE 120 1HE PHE 120 3.897 -14.466 7.971 928 HE2 PHE 120 2HE PHE 120 0.751 -11.927 6.544 929 HZ PHE 120 HZ PHE 120 2.201 -12.697 8.391 930 H CYS 121 H CYS 121 0.565 -16.472 1.421 931 HA CYS 121 HA CYS 121 -1.818 -15.612 2.916 932 HB2 CYS 121 1HB CYS 121 -1.071 -14.973 0.466 933 HB3 CYS 121 2HB CYS 121 -1.804 -16.525 0.025 934 HG CYS 121 HG CYS 121 -3.245 -14.238 1.930 935 H ALA 122 H ALA 122 -0.281 -18.587 2.197 936 HA ALA 122 HA ALA 122 -2.774 -20.197 2.413 937 HB1 ALA 122 1HB ALA 122 -1.196 -20.933 0.687 938 HB2 ALA 122 2HB ALA 122 0.122 -21.026 1.878 939 HB3 ALA 122 3HB ALA 122 -1.275 -22.118 1.995 940 H GLN 123 H GLN 123 0.436 -19.691 3.993 941 HA GLN 123 HA GLN 123 -0.516 -21.050 6.442 942 HB2 GLN 123 1HB GLN 123 1.688 -20.526 7.356 943 HB3 GLN 123 2HB GLN 123 1.748 -21.521 5.906 944 HG2 GLN 123 1HG GLN 123 2.745 -19.888 4.614 945 HG3 GLN 123 2HG GLN 123 2.026 -18.562 5.527 946 HE21 GLN 123 1HE2 GLN 123 3.860 -21.218 7.173 947 HE22 GLN 123 2HE2 GLN 123 5.205 -20.201 7.588 948 H GLU 124 H GLU 124 -2.228 -19.143 5.854 949 HA GLU 124 HA GLU 124 -1.849 -17.118 7.988 950 HB2 GLU 124 1HB GLU 124 -2.111 -16.066 5.718 951 HB3 GLU 124 2HB GLU 124 -3.596 -16.956 5.488 952 HG2 GLU 124 1HG GLU 124 -4.159 -14.719 6.161 953 HG3 GLU 124 2HG GLU 124 -4.571 -15.798 7.491
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