NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
519794 | 2lio | 17900 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -5.378 22.736 -3.523 2 H2 MET 1 H2 MET 1 -5.982 24.277 -3.195 3 H3 MET 1 H3 MET 1 -4.682 23.675 -2.307 4 HA MET 1 HA MET 1 -4.703 24.381 -5.178 5 HB2 MET 1 HB2 MET 1 -3.182 25.573 -2.818 6 HB3 MET 1 HB3 MET 1 -2.971 26.064 -4.496 7 HG2 MET 1 HG2 MET 1 -4.360 27.666 -3.296 8 HG3 MET 1 HG3 MET 1 -5.298 26.866 -4.558 9 HE1 MET 1 HE1 MET 1 -7.608 27.625 -3.521 10 HE2 MET 1 HE2 MET 1 -6.793 28.501 -2.221 11 HE3 MET 1 HE3 MET 1 -8.077 27.353 -1.843 12 H LYS 2 H LYS 2 -2.559 23.360 -2.488 13 HA LYS 2 HA LYS 2 -1.008 21.655 -4.360 14 HB2 LYS 2 HB2 LYS 2 0.852 21.825 -2.640 15 HB3 LYS 2 HB3 LYS 2 0.487 23.312 -3.505 16 HG2 LYS 2 HG2 LYS 2 -0.621 24.269 -1.613 17 HG3 LYS 2 HG3 LYS 2 -0.641 22.728 -0.752 18 HD2 LYS 2 HD2 LYS 2 1.893 24.248 -1.477 19 HD3 LYS 2 HD3 LYS 2 1.080 24.365 0.088 20 HE2 LYS 2 HE2 LYS 2 2.284 21.844 -1.119 21 HE3 LYS 2 HE3 LYS 2 2.963 22.790 0.207 22 HZ1 LYS 2 HZ1 LYS 2 1.796 20.839 1.018 23 HZ2 LYS 2 HZ2 LYS 2 0.365 21.338 0.271 24 HZ3 LYS 2 HZ3 LYS 2 1.018 22.245 1.537 25 H LYS 3 H LYS 3 -0.979 19.485 -3.977 26 HA LYS 3 HA LYS 3 -2.719 18.109 -2.324 27 HB2 LYS 3 HB2 LYS 3 -0.041 17.228 -3.458 28 HB3 LYS 3 HB3 LYS 3 -1.168 16.113 -2.696 29 HG2 LYS 3 HG2 LYS 3 -2.203 17.790 -4.960 30 HG3 LYS 3 HG3 LYS 3 -1.079 16.485 -5.354 31 HD2 LYS 3 HD2 LYS 3 -2.623 14.904 -4.107 32 HD3 LYS 3 HD3 LYS 3 -3.782 16.234 -3.958 33 HE2 LYS 3 HE2 LYS 3 -4.081 16.331 -6.351 34 HE3 LYS 3 HE3 LYS 3 -2.707 15.255 -6.627 35 HZ1 LYS 3 HZ1 LYS 3 -3.928 13.451 -5.654 36 HZ2 LYS 3 HZ2 LYS 3 -4.849 14.150 -6.884 37 HZ3 LYS 3 HZ3 LYS 3 -5.213 14.467 -5.263 38 H GLU 4 H GLU 4 -2.632 17.125 -0.325 39 HA GLU 4 HA GLU 4 -0.457 17.885 1.537 40 HB2 GLU 4 HB2 GLU 4 -2.729 18.583 2.189 41 HB3 GLU 4 HB3 GLU 4 -3.306 16.925 2.056 42 HG2 GLU 4 HG2 GLU 4 -1.811 16.275 3.927 43 HG3 GLU 4 HG3 GLU 4 -1.281 17.951 4.070 44 H LYS 5 H LYS 5 0.885 16.357 2.339 45 HA LYS 5 HA LYS 5 0.696 13.579 1.604 46 HB2 LYS 5 HB2 LYS 5 2.857 14.874 1.840 47 HB3 LYS 5 HB3 LYS 5 2.613 14.909 3.577 48 HG2 LYS 5 HG2 LYS 5 2.762 12.276 2.088 49 HG3 LYS 5 HG3 LYS 5 4.229 13.141 2.518 50 HD2 LYS 5 HD2 LYS 5 2.123 12.158 4.491 51 HD3 LYS 5 HD3 LYS 5 3.659 11.359 4.153 52 HE2 LYS 5 HE2 LYS 5 3.317 14.121 5.377 53 HE3 LYS 5 HE3 LYS 5 3.775 12.650 6.236 54 HZ1 LYS 5 HZ1 LYS 5 5.705 14.008 5.748 55 HZ2 LYS 5 HZ2 LYS 5 5.359 13.971 4.093 56 HZ3 LYS 5 HZ3 LYS 5 5.791 12.549 4.896 57 H ILE 6 H ILE 6 -0.250 11.992 2.744 58 HA ILE 6 HA ILE 6 -0.984 12.333 5.580 59 HB ILE 6 HB ILE 6 -3.275 11.409 5.188 60 HG12 ILE 6 HG12 ILE 6 -2.621 11.749 2.221 61 HG13 ILE 6 HG13 ILE 6 -2.948 10.232 3.057 62 HG21 ILE 6 HG21 ILE 6 -2.755 14.001 3.690 63 HG22 ILE 6 HG22 ILE 6 -2.996 13.834 5.431 64 HG23 ILE 6 HG23 ILE 6 -4.319 13.474 4.322 65 HD11 ILE 6 HD11 ILE 6 -4.936 12.452 2.573 66 HD12 ILE 6 HD12 ILE 6 -5.269 10.929 3.403 67 HD13 ILE 6 HD13 ILE 6 -4.827 10.926 1.696 68 H HIS 7 H HIS 7 -0.219 10.615 6.679 69 HA HIS 7 HA HIS 7 0.140 8.028 5.310 70 HB2 HIS 7 HB2 HIS 7 1.514 7.353 7.183 71 HB3 HIS 7 HB3 HIS 7 2.037 8.932 6.644 72 HD1 HIS 7 HD1 HIS 7 1.388 7.105 9.634 73 HD2 HIS 7 HD2 HIS 7 0.913 11.066 8.493 74 HE1 HIS 7 HE1 HIS 7 1.234 8.393 11.770 75 HE2 HIS 7 HE2 HIS 7 1.166 10.796 11.050 76 H LEU 8 H LEU 8 -1.465 6.569 5.386 77 HA LEU 8 HA LEU 8 -3.631 6.863 7.338 78 HB2 LEU 8 HB2 LEU 8 -3.542 5.154 4.817 79 HB3 LEU 8 HB3 LEU 8 -4.933 5.350 5.862 80 HG LEU 8 HG LEU 8 -5.420 6.699 4.008 81 HD11 LEU 8 HD11 LEU 8 -5.464 9.002 4.767 82 HD12 LEU 8 HD12 LEU 8 -4.256 8.644 6.003 83 HD13 LEU 8 HD13 LEU 8 -5.852 7.893 6.084 84 HD21 LEU 8 HD21 LEU 8 -3.902 8.287 2.926 85 HD22 LEU 8 HD22 LEU 8 -3.245 6.653 2.905 86 HD23 LEU 8 HD23 LEU 8 -2.612 7.841 4.048 87 H GLU 9 H GLU 9 -3.532 5.638 9.092 88 HA GLU 9 HA GLU 9 -1.947 3.202 9.235 89 HB2 GLU 9 HB2 GLU 9 -1.652 4.905 10.991 90 HB3 GLU 9 HB3 GLU 9 -3.360 4.814 11.407 91 HG2 GLU 9 HG2 GLU 9 -3.028 2.437 12.101 92 HG3 GLU 9 HG3 GLU 9 -1.312 2.593 11.736 93 H TYR 10 H TYR 10 -2.832 1.256 9.042 94 HA TYR 10 HA TYR 10 -5.660 0.751 9.773 95 HB2 TYR 10 HB2 TYR 10 -3.933 -0.864 7.832 96 HB3 TYR 10 HB3 TYR 10 -5.666 -1.023 8.100 97 HD1 TYR 10 HD1 TYR 10 -7.207 0.912 7.340 98 HD2 TYR 10 HD2 TYR 10 -3.095 0.662 6.182 99 HE1 TYR 10 HE1 TYR 10 -7.626 2.471 5.482 100 HE2 TYR 10 HE2 TYR 10 -3.523 2.214 4.328 101 HH TYR 10 HH TYR 10 -5.465 2.929 2.935 102 H LEU 11 H LEU 11 -5.955 -0.675 11.475 103 HA LEU 11 HA LEU 11 -3.614 -1.985 12.637 104 HB2 LEU 11 HB2 LEU 11 -4.863 -2.422 14.606 105 HB3 LEU 11 HB3 LEU 11 -5.237 -0.784 14.126 106 HG LEU 11 HG LEU 11 -7.100 -3.172 13.750 107 HD11 LEU 11 HD11 LEU 11 -6.789 -2.661 16.125 108 HD12 LEU 11 HD12 LEU 11 -8.420 -2.264 15.594 109 HD13 LEU 11 HD13 LEU 11 -7.236 -0.975 15.838 110 HD21 LEU 11 HD21 LEU 11 -7.525 -1.430 12.079 111 HD22 LEU 11 HD22 LEU 11 -7.667 -0.217 13.355 112 HD23 LEU 11 HD23 LEU 11 -8.848 -1.527 13.241 113 H LEU 12 H LEU 12 -2.986 -3.792 11.674 114 HA LEU 12 HA LEU 12 -4.942 -5.811 10.776 115 HB2 LEU 12 HB2 LEU 12 -2.032 -5.314 10.136 116 HB3 LEU 12 HB3 LEU 12 -2.656 -6.944 9.960 117 HG LEU 12 HG LEU 12 -2.691 -5.771 7.810 118 HD11 LEU 12 HD11 LEU 12 -5.014 -6.195 7.165 119 HD12 LEU 12 HD12 LEU 12 -5.497 -6.242 8.865 120 HD13 LEU 12 HD13 LEU 12 -4.402 -7.468 8.221 121 HD21 LEU 12 HD21 LEU 12 -4.588 -3.775 9.093 122 HD22 LEU 12 HD22 LEU 12 -4.127 -3.833 7.388 123 HD23 LEU 12 HD23 LEU 12 -2.918 -3.460 8.612 124 H ASN 13 H ASN 13 -5.152 -7.777 11.690 125 HA ASN 13 HA ASN 13 -4.478 -8.046 14.431 126 HB2 ASN 13 HB2 ASN 13 -5.711 -10.046 12.501 127 HB3 ASN 13 HB3 ASN 13 -5.611 -10.282 14.245 128 HD21 ASN 13 HD21 ASN 13 -7.833 -10.321 14.563 129 HD22 ASN 13 HD22 ASN 13 -8.838 -8.935 14.367 130 H ALA 14 H ALA 14 -3.326 -9.760 15.481 131 HA ALA 14 HA ALA 14 -0.691 -10.195 14.619 132 HB1 ALA 14 HB1 ALA 14 -2.257 -11.717 16.728 133 HB2 ALA 14 HB2 ALA 14 -1.398 -10.194 16.974 134 HB3 ALA 14 HB3 ALA 14 -0.496 -11.661 16.587 135 H THR 15 H THR 15 -3.543 -12.081 13.935 136 HA THR 15 HA THR 15 -2.473 -14.553 13.113 137 HB THR 15 HB THR 15 -4.865 -13.064 11.936 138 HG1 THR 15 HG1 THR 15 -6.020 -14.426 13.461 139 HG21 THR 15 HG21 THR 15 -4.250 -16.043 11.912 140 HG22 THR 15 HG22 THR 15 -4.188 -14.973 10.509 141 HG23 THR 15 HG23 THR 15 -5.728 -15.289 11.313 142 H SER 16 H SER 16 -2.806 -11.477 11.401 143 HA SER 16 HA SER 16 -1.796 -12.476 8.855 144 HB2 SER 16 HB2 SER 16 -2.561 -9.663 9.761 145 HB3 SER 16 HB3 SER 16 -2.157 -10.127 8.106 146 HG SER 16 HG SER 16 -4.264 -10.385 8.044 147 H LYS 17 H LYS 17 0.272 -12.320 8.148 148 HA LYS 17 HA LYS 17 2.359 -11.188 9.889 149 HB2 LYS 17 HB2 LYS 17 2.486 -13.083 7.501 150 HB3 LYS 17 HB3 LYS 17 3.923 -12.416 8.261 151 HG2 LYS 17 HG2 LYS 17 3.662 -14.606 9.131 152 HG3 LYS 17 HG3 LYS 17 3.193 -13.496 10.420 153 HD2 LYS 17 HD2 LYS 17 0.802 -13.927 9.925 154 HD3 LYS 17 HD3 LYS 17 1.263 -15.009 8.607 155 HE2 LYS 17 HE2 LYS 17 2.361 -16.514 10.252 156 HE3 LYS 17 HE3 LYS 17 1.870 -15.431 11.559 157 HZ1 LYS 17 HZ1 LYS 17 0.047 -16.915 9.741 158 HZ2 LYS 17 HZ2 LYS 17 -0.441 -15.845 10.957 159 HZ3 LYS 17 HZ3 LYS 17 0.358 -17.276 11.366 160 H ASN 18 H ASN 18 4.391 -10.609 8.172 161 HA ASN 18 HA ASN 18 3.722 -8.066 7.076 162 HB2 ASN 18 HB2 ASN 18 6.057 -7.874 6.434 163 HB3 ASN 18 HB3 ASN 18 5.948 -8.550 8.052 164 HD21 ASN 18 HD21 ASN 18 6.551 -10.719 8.374 165 HD22 ASN 18 HD22 ASN 18 7.457 -11.598 7.199 166 H ILE 19 H ILE 19 3.767 -11.216 5.677 167 HA ILE 19 HA ILE 19 4.554 -10.800 3.040 168 HB ILE 19 HB ILE 19 2.643 -12.876 4.191 169 HG12 ILE 19 HG12 ILE 19 4.661 -14.440 3.746 170 HG13 ILE 19 HG13 ILE 19 5.611 -12.996 3.437 171 HG21 ILE 19 HG21 ILE 19 3.801 -12.853 1.382 172 HG22 ILE 19 HG22 ILE 19 2.099 -12.698 1.821 173 HG23 ILE 19 HG23 ILE 19 2.948 -14.213 2.120 174 HD11 ILE 19 HD11 ILE 19 4.295 -13.761 6.033 175 HD12 ILE 19 HD12 ILE 19 5.219 -12.282 5.751 176 HD13 ILE 19 HD13 ILE 19 6.012 -13.854 5.642 177 H LEU 20 H LEU 20 1.523 -9.905 4.542 178 HA LEU 20 HA LEU 20 -0.415 -9.777 2.632 179 HB2 LEU 20 HB2 LEU 20 0.313 -7.509 4.530 180 HB3 LEU 20 HB3 LEU 20 -1.254 -7.705 3.753 181 HG LEU 20 HG LEU 20 -0.084 -9.634 5.795 182 HD11 LEU 20 HD11 LEU 20 -0.513 -7.444 6.803 183 HD12 LEU 20 HD12 LEU 20 -1.651 -8.648 7.394 184 HD13 LEU 20 HD13 LEU 20 -2.172 -7.466 6.193 185 HD21 LEU 20 HD21 LEU 20 -2.361 -10.573 5.907 186 HD22 LEU 20 HD22 LEU 20 -1.676 -10.741 4.294 187 HD23 LEU 20 HD23 LEU 20 -2.883 -9.492 4.610 188 H TRP 21 H TRP 21 1.691 -6.953 3.255 189 HA TRP 21 HA TRP 21 1.309 -5.955 0.516 190 HB2 TRP 21 HB2 TRP 21 2.115 -4.597 3.099 191 HB3 TRP 21 HB3 TRP 21 2.350 -3.817 1.540 192 HD1 TRP 21 HD1 TRP 21 -0.432 -4.791 4.001 193 HE1 TRP 21 HE1 TRP 21 -2.575 -3.540 3.319 194 HE3 TRP 21 HE3 TRP 21 1.073 -2.964 -0.534 195 HZ2 TRP 21 HZ2 TRP 21 -3.508 -1.979 1.164 196 HZ3 TRP 21 HZ3 TRP 21 -0.509 -1.613 -1.853 197 HH2 TRP 21 HH2 TRP 21 -2.762 -1.138 -1.023 198 H SER 22 H SER 22 3.746 -7.483 2.467 199 HA SER 22 HA SER 22 6.027 -6.577 0.975 200 HB2 SER 22 HB2 SER 22 6.235 -7.766 3.169 201 HB3 SER 22 HB3 SER 22 5.689 -9.256 2.407 202 HG SER 22 HG SER 22 8.145 -7.975 2.270 203 H ALA 23 H ALA 23 3.435 -8.702 0.226 204 HA ALA 23 HA ALA 23 4.477 -10.377 -1.799 205 HB1 ALA 23 HB1 ALA 23 1.665 -9.286 -1.487 206 HB2 ALA 23 HB2 ALA 23 2.303 -10.726 -0.694 207 HB3 ALA 23 HB3 ALA 23 2.129 -10.694 -2.449 208 H ILE 24 H ILE 24 3.509 -6.985 -1.930 209 HA ILE 24 HA ILE 24 2.926 -6.831 -4.722 210 HB ILE 24 HB ILE 24 2.856 -4.408 -4.462 211 HG12 ILE 24 HG12 ILE 24 4.321 -4.861 -1.837 212 HG13 ILE 24 HG13 ILE 24 4.853 -3.903 -3.205 213 HG21 ILE 24 HG21 ILE 24 1.205 -4.210 -2.641 214 HG22 ILE 24 HG22 ILE 24 1.737 -5.757 -1.977 215 HG23 ILE 24 HG23 ILE 24 0.958 -5.697 -3.560 216 HD11 ILE 24 HD11 ILE 24 2.624 -3.250 -1.284 217 HD12 ILE 24 HD12 ILE 24 3.016 -2.295 -2.719 218 HD13 ILE 24 HD13 ILE 24 4.193 -2.462 -1.418 219 H SER 25 H SER 25 5.933 -6.878 -3.028 220 HA SER 25 HA SER 25 7.611 -5.532 -4.944 221 HB2 SER 25 HB2 SER 25 9.474 -6.389 -3.610 222 HB3 SER 25 HB3 SER 25 8.198 -5.848 -2.525 223 HG SER 25 HG SER 25 8.245 -7.771 -1.714 224 H THR 26 H THR 26 6.262 -8.710 -4.783 225 HA THR 26 HA THR 26 8.094 -9.749 -6.877 226 HB THR 26 HB THR 26 7.227 -12.056 -6.148 227 HG1 THR 26 HG1 THR 26 5.524 -10.698 -4.752 228 HG21 THR 26 HG21 THR 26 9.461 -11.294 -5.486 229 HG22 THR 26 HG22 THR 26 8.713 -12.208 -4.174 230 HG23 THR 26 HG23 THR 26 8.787 -10.445 -4.092 231 HA PRO 27 HA PRO 27 4.746 -9.941 -9.889 232 HB2 PRO 27 HB2 PRO 27 5.313 -12.412 -11.083 233 HB3 PRO 27 HB3 PRO 27 6.134 -10.895 -11.475 234 HG2 PRO 27 HG2 PRO 27 6.983 -13.058 -9.534 235 HG3 PRO 27 HG3 PRO 27 7.954 -12.241 -10.785 236 HD2 PRO 27 HD2 PRO 27 8.175 -11.478 -8.260 237 HD3 PRO 27 HD3 PRO 27 8.076 -10.231 -9.526 238 H THR 28 H THR 28 5.245 -13.317 -8.685 239 HA THR 28 HA THR 28 2.562 -14.111 -8.829 240 HB THR 28 HB THR 28 4.376 -15.746 -8.789 241 HG1 THR 28 HG1 THR 28 2.131 -16.117 -7.761 242 HG21 THR 28 HG21 THR 28 5.571 -16.341 -6.709 243 HG22 THR 28 HG22 THR 28 4.776 -15.016 -5.857 244 HG23 THR 28 HG23 THR 28 5.911 -14.669 -7.165 245 H GLY 29 H GLY 29 4.238 -12.441 -6.225 246 HA2 GLY 29 HA2 GLY 29 2.254 -12.820 -4.189 247 HA3 GLY 29 HA3 GLY 29 3.509 -11.589 -4.216 248 H LEU 30 H LEU 30 2.922 -10.207 -6.492 249 HA LEU 30 HA LEU 30 0.843 -8.456 -5.635 250 HB2 LEU 30 HB2 LEU 30 2.953 -7.790 -6.841 251 HB3 LEU 30 HB3 LEU 30 2.283 -8.485 -8.305 252 HG LEU 30 HG LEU 30 0.505 -6.806 -8.364 253 HD11 LEU 30 HD11 LEU 30 0.387 -4.941 -6.785 254 HD12 LEU 30 HD12 LEU 30 1.669 -5.665 -5.815 255 HD13 LEU 30 HD13 LEU 30 0.114 -6.481 -5.974 256 HD21 LEU 30 HD21 LEU 30 1.856 -4.801 -8.803 257 HD22 LEU 30 HD22 LEU 30 2.629 -6.245 -9.450 258 HD23 LEU 30 HD23 LEU 30 3.226 -5.523 -7.952 259 H GLU 31 H GLU 31 1.053 -10.495 -8.644 260 HA GLU 31 HA GLU 31 -1.528 -9.825 -9.607 261 HB2 GLU 31 HB2 GLU 31 -1.261 -11.726 -11.220 262 HB3 GLU 31 HB3 GLU 31 0.086 -10.606 -11.197 263 HG2 GLU 31 HG2 GLU 31 1.116 -12.698 -11.380 264 HG3 GLU 31 HG3 GLU 31 1.277 -12.304 -9.674 265 H ASP 32 H ASP 32 -0.703 -11.947 -7.104 266 HA ASP 32 HA ASP 32 -2.823 -13.804 -7.117 267 HB2 ASP 32 HB2 ASP 32 -0.749 -13.955 -5.734 268 HB3 ASP 32 HB3 ASP 32 -1.308 -12.597 -4.760 269 H TRP 33 H TRP 33 -2.752 -10.411 -6.251 270 HA TRP 33 HA TRP 33 -5.639 -10.379 -5.764 271 HB2 TRP 33 HB2 TRP 33 -5.432 -9.124 -3.636 272 HB3 TRP 33 HB3 TRP 33 -4.717 -10.723 -3.511 273 HD1 TRP 33 HD1 TRP 33 -1.825 -10.601 -4.025 274 HE1 TRP 33 HE1 TRP 33 -0.185 -8.983 -2.888 275 HE3 TRP 33 HE3 TRP 33 -5.137 -6.994 -2.530 276 HZ2 TRP 33 HZ2 TRP 33 -0.274 -6.524 -1.515 277 HZ3 TRP 33 HZ3 TRP 33 -4.274 -5.036 -1.299 278 HH2 TRP 33 HH2 TRP 33 -1.886 -4.807 -0.803 279 H PHE 34 H PHE 34 -3.343 -9.169 -7.606 280 HA PHE 34 HA PHE 34 -4.670 -6.545 -7.917 281 HB2 PHE 34 HB2 PHE 34 -2.487 -6.207 -6.673 282 HB3 PHE 34 HB3 PHE 34 -1.639 -6.894 -8.046 283 HD1 PHE 34 HD2 PHE 34 -3.872 -4.058 -7.058 284 HD2 PHE 34 HD1 PHE 34 -1.007 -5.487 -9.904 285 HE1 PHE 34 HE2 PHE 34 -3.796 -1.838 -8.110 286 HE2 PHE 34 HE1 PHE 34 -0.945 -3.252 -10.951 287 HZ PHE 34 HZ PHE 34 -2.340 -1.433 -10.053 288 H ALA 35 H ALA 35 -5.392 -6.347 -9.945 289 HA ALA 35 HA ALA 35 -5.699 -6.455 -12.173 290 HB1 ALA 35 HB1 ALA 35 -3.458 -5.406 -12.280 291 HB2 ALA 35 HB2 ALA 35 -3.748 -6.460 -13.666 292 HB3 ALA 35 HB3 ALA 35 -2.713 -7.007 -12.343 293 H ASP 36 H ASP 36 -5.089 -7.989 -14.264 294 HA ASP 36 HA ASP 36 -5.969 -10.664 -13.648 295 HB2 ASP 36 HB2 ASP 36 -4.891 -9.506 -16.264 296 HB3 ASP 36 HB3 ASP 36 -5.697 -11.066 -16.094 297 H LYS 37 H LYS 37 -2.924 -9.300 -14.941 298 HA LYS 37 HA LYS 37 -1.366 -11.555 -13.857 299 HB2 LYS 37 HB2 LYS 37 -1.944 -12.157 -16.198 300 HB3 LYS 37 HB3 LYS 37 -1.292 -10.630 -16.764 301 HG2 LYS 37 HG2 LYS 37 0.405 -12.127 -17.310 302 HG3 LYS 37 HG3 LYS 37 0.981 -11.477 -15.778 303 HD2 LYS 37 HD2 LYS 37 -0.544 -14.108 -16.010 304 HD3 LYS 37 HD3 LYS 37 1.213 -14.015 -16.102 305 HE2 LYS 37 HE2 LYS 37 1.286 -13.111 -13.804 306 HE3 LYS 37 HE3 LYS 37 -0.475 -13.160 -13.721 307 HZ1 LYS 37 HZ1 LYS 37 -0.362 -15.566 -14.001 308 HZ2 LYS 37 HZ2 LYS 37 0.447 -15.038 -12.619 309 HZ3 LYS 37 HZ3 LYS 37 1.332 -15.486 -13.990 310 H VAL 38 H VAL 38 0.700 -10.969 -13.213 311 HA VAL 38 HA VAL 38 1.795 -8.328 -14.005 312 HB VAL 38 HB VAL 38 1.920 -9.638 -11.245 313 HG11 VAL 38 HG11 VAL 38 3.500 -7.223 -12.209 314 HG12 VAL 38 HG12 VAL 38 4.168 -8.790 -11.738 315 HG13 VAL 38 HG13 VAL 38 3.388 -7.766 -10.532 316 HG21 VAL 38 HG21 VAL 38 -0.124 -8.314 -11.663 317 HG22 VAL 38 HG22 VAL 38 0.858 -6.914 -12.107 318 HG23 VAL 38 HG23 VAL 38 0.895 -7.530 -10.452 319 H VAL 39 H VAL 39 3.325 -8.830 -15.440 320 HA VAL 39 HA VAL 39 5.230 -11.049 -15.028 321 HB VAL 39 HB VAL 39 4.887 -9.164 -17.417 322 HG11 VAL 39 HG11 VAL 39 6.531 -11.724 -17.190 323 HG12 VAL 39 HG12 VAL 39 7.169 -10.085 -17.338 324 HG13 VAL 39 HG13 VAL 39 6.276 -10.805 -18.677 325 HG21 VAL 39 HG21 VAL 39 3.885 -12.024 -17.086 326 HG22 VAL 39 HG22 VAL 39 3.772 -11.063 -18.563 327 HG23 VAL 39 HG23 VAL 39 2.882 -10.570 -17.121 328 H SER 40 H SER 40 7.131 -10.560 -13.997 329 HA SER 40 HA SER 40 7.867 -7.731 -13.604 330 HB2 SER 40 HB2 SER 40 9.282 -8.544 -11.771 331 HB3 SER 40 HB3 SER 40 7.649 -9.193 -11.612 332 HG SER 40 HG SER 40 9.706 -10.622 -11.475 333 H ASP 41 H ASP 41 10.013 -7.031 -13.722 334 HA ASP 41 HA ASP 41 12.103 -8.689 -14.953 335 HB2 ASP 41 HB2 ASP 41 10.959 -7.136 -16.700 336 HB3 ASP 41 HB3 ASP 41 11.619 -5.783 -15.789 337 H ASP 42 H ASP 42 14.311 -7.448 -14.561 338 HA ASP 42 HA ASP 42 14.675 -6.917 -11.831 339 HB2 ASP 42 HB2 ASP 42 16.515 -7.598 -13.350 340 HB3 ASP 42 HB3 ASP 42 16.425 -6.050 -14.177 341 H LYS 43 H LYS 43 14.257 -5.170 -10.618 342 HA LYS 43 HA LYS 43 13.513 -3.201 -9.852 343 HB2 LYS 43 HB2 LYS 43 14.839 -1.217 -10.389 344 HB3 LYS 43 HB3 LYS 43 15.859 -2.636 -10.225 345 HG2 LYS 43 HG2 LYS 43 15.844 -2.758 -12.790 346 HG3 LYS 43 HG3 LYS 43 15.134 -1.143 -12.766 347 HD2 LYS 43 HD2 LYS 43 17.115 -0.232 -11.683 348 HD3 LYS 43 HD3 LYS 43 17.777 -1.849 -11.425 349 HE2 LYS 43 HE2 LYS 43 17.392 -0.468 -14.106 350 HE3 LYS 43 HE3 LYS 43 18.927 -0.772 -13.291 351 HZ1 LYS 43 HZ1 LYS 43 18.611 -2.398 -14.975 352 HZ2 LYS 43 HZ2 LYS 43 17.069 -2.794 -14.408 353 HZ3 LYS 43 HZ3 LYS 43 18.432 -3.175 -13.485 354 H THR 44 H THR 44 12.049 -4.216 -12.376 355 HA THR 44 HA THR 44 10.277 -1.880 -12.641 356 HB THR 44 HB THR 44 11.302 -3.358 -15.117 357 HG1 THR 44 HG1 THR 44 12.908 -1.951 -14.419 358 HG21 THR 44 HG21 THR 44 10.069 -1.631 -16.397 359 HG22 THR 44 HG22 THR 44 9.447 -0.959 -14.887 360 HG23 THR 44 HG23 THR 44 8.979 -2.585 -15.386 361 H VAL 45 H VAL 45 8.202 -2.520 -12.481 362 HA VAL 45 HA VAL 45 7.468 -5.384 -12.746 363 HB VAL 45 HB VAL 45 6.011 -3.118 -11.291 364 HG11 VAL 45 HG11 VAL 45 4.448 -4.867 -12.051 365 HG12 VAL 45 HG12 VAL 45 4.615 -4.899 -10.296 366 HG13 VAL 45 HG13 VAL 45 5.442 -6.109 -11.280 367 HG21 VAL 45 HG21 VAL 45 7.685 -5.382 -10.128 368 HG22 VAL 45 HG22 VAL 45 6.770 -4.191 -9.197 369 HG23 VAL 45 HG23 VAL 45 8.142 -3.676 -10.180 370 H THR 46 H THR 46 6.306 -5.943 -14.585 371 HA THR 46 HA THR 46 4.933 -3.791 -16.103 372 HB THR 46 HB THR 46 5.894 -6.500 -17.144 373 HG1 THR 46 HG1 THR 46 7.704 -5.524 -17.689 374 HG21 THR 46 HG21 THR 46 3.961 -5.625 -18.429 375 HG22 THR 46 HG22 THR 46 5.441 -5.572 -19.388 376 HG23 THR 46 HG23 THR 46 4.810 -4.091 -18.664 377 H PHE 47 H PHE 47 2.819 -3.764 -15.691 378 HA PHE 47 HA PHE 47 1.304 -6.086 -14.795 379 HB2 PHE 47 HB2 PHE 47 0.174 -3.324 -15.406 380 HB3 PHE 47 HB3 PHE 47 -0.440 -4.530 -14.279 381 HD1 PHE 47 HD1 PHE 47 0.707 -4.881 -12.080 382 HD2 PHE 47 HD2 PHE 47 1.913 -1.775 -14.763 383 HE1 PHE 47 HE1 PHE 47 1.940 -3.789 -10.266 384 HE2 PHE 47 HE2 PHE 47 3.145 -0.679 -12.930 385 HZ PHE 47 HZ PHE 47 3.157 -1.681 -10.677 386 H CYS 48 H CYS 48 -0.044 -7.266 -16.094 387 HA CYS 48 HA CYS 48 -0.673 -6.354 -18.844 388 HB2 CYS 48 HB2 CYS 48 0.192 -9.154 -17.994 389 HB3 CYS 48 HB3 CYS 48 -0.276 -8.679 -19.627 390 HG CYS 48 HG CYS 48 2.097 -6.652 -18.664 391 H TRP 49 H TRP 49 -2.849 -6.133 -18.962 392 HA TRP 49 HA TRP 49 -4.641 -7.647 -17.206 393 HB2 TRP 49 HB2 TRP 49 -5.106 -5.303 -19.085 394 HB3 TRP 49 HB3 TRP 49 -6.415 -6.115 -18.232 395 HD1 TRP 49 HD1 TRP 49 -6.726 -5.575 -15.662 396 HE1 TRP 49 HE1 TRP 49 -5.671 -3.868 -14.064 397 HE3 TRP 49 HE3 TRP 49 -2.802 -4.027 -18.577 398 HZ2 TRP 49 HZ2 TRP 49 -3.481 -2.107 -14.017 399 HZ3 TRP 49 HZ3 TRP 49 -1.270 -2.320 -17.672 400 HH2 TRP 49 HH2 TRP 49 -1.604 -1.382 -15.432 401 H GLY 50 H GLY 50 -5.352 -6.814 -20.637 402 HA2 GLY 50 HA2 GLY 50 -5.974 -9.699 -21.136 403 HA3 GLY 50 HA3 GLY 50 -6.977 -8.376 -21.716 404 H LYS 51 H LYS 51 -3.445 -8.504 -21.729 405 HA LYS 51 HA LYS 51 -1.845 -8.379 -23.292 406 HB2 LYS 51 HB2 LYS 51 -3.913 -9.771 -25.009 407 HB3 LYS 51 HB3 LYS 51 -2.329 -9.347 -25.650 408 HG2 LYS 51 HG2 LYS 51 -2.792 -11.120 -23.219 409 HG3 LYS 51 HG3 LYS 51 -2.481 -11.707 -24.858 410 HD2 LYS 51 HD2 LYS 51 -0.263 -10.625 -24.844 411 HD3 LYS 51 HD3 LYS 51 -0.571 -9.965 -23.236 412 HE2 LYS 51 HE2 LYS 51 -0.618 -12.232 -22.291 413 HE3 LYS 51 HE3 LYS 51 -0.404 -12.928 -23.899 414 HZ1 LYS 51 HZ1 LYS 51 1.543 -11.166 -22.521 415 HZ2 LYS 51 HZ2 LYS 51 1.755 -11.874 -24.040 416 HZ3 LYS 51 HZ3 LYS 51 1.668 -12.844 -22.660 417 H THR 52 H THR 52 -4.850 -6.755 -24.143 418 HA THR 52 HA THR 52 -3.448 -4.717 -25.713 419 HB THR 52 HB THR 52 -5.663 -3.547 -25.757 420 HG1 THR 52 HG1 THR 52 -6.475 -4.289 -23.720 421 HG21 THR 52 HG21 THR 52 -5.176 -5.246 -27.504 422 HG22 THR 52 HG22 THR 52 -6.897 -5.164 -27.123 423 HG23 THR 52 HG23 THR 52 -5.919 -6.488 -26.489 424 H GLU 53 H GLU 53 -2.451 -3.032 -24.760 425 HA GLU 53 HA GLU 53 -1.808 -1.393 -23.375 426 HB2 GLU 53 HB2 GLU 53 -4.121 -0.599 -23.358 427 HB3 GLU 53 HB3 GLU 53 -4.540 -1.728 -22.081 428 HG2 GLU 53 HG2 GLU 53 -4.324 0.513 -21.161 429 HG3 GLU 53 HG3 GLU 53 -3.051 -0.520 -20.512 430 H GLN 54 H GLN 54 -0.091 -2.227 -22.386 431 HA GLN 54 HA GLN 54 -0.420 -3.433 -19.696 432 HB2 GLN 54 HB2 GLN 54 1.500 -4.854 -20.050 433 HB3 GLN 54 HB3 GLN 54 0.394 -5.115 -21.387 434 HG2 GLN 54 HG2 GLN 54 2.896 -3.397 -21.543 435 HG3 GLN 54 HG3 GLN 54 2.811 -5.082 -22.047 436 HE21 GLN 54 HE21 GLN 54 3.457 -2.671 -23.595 437 HE22 GLN 54 HE22 GLN 54 2.343 -2.648 -24.913 438 H ARG 55 H ARG 55 0.974 -2.628 -18.090 439 HA ARG 55 HA ARG 55 2.224 -0.011 -18.754 440 HB2 ARG 55 HB2 ARG 55 0.090 -0.695 -16.829 441 HB3 ARG 55 HB3 ARG 55 1.441 0.067 -16.005 442 HG2 ARG 55 HG2 ARG 55 -0.120 1.235 -18.333 443 HG3 ARG 55 HG3 ARG 55 -0.242 1.713 -16.638 444 HD2 ARG 55 HD2 ARG 55 2.257 2.293 -16.790 445 HD3 ARG 55 HD3 ARG 55 2.085 2.125 -18.540 446 HE ARG 55 HE ARG 55 1.139 4.273 -16.851 447 HH11 ARG 55 HH11 ARG 55 0.756 2.816 -19.986 448 HH12 ARG 55 HH12 ARG 55 0.179 4.283 -20.691 449 HH21 ARG 55 HH21 ARG 55 0.414 6.094 -17.773 450 HH22 ARG 55 HH22 ARG 55 -0.026 6.112 -19.444 451 H GLN 56 H GLN 56 3.978 0.663 -17.305 452 HA GLN 56 HA GLN 56 5.285 -1.503 -15.760 453 HB2 GLN 56 HB2 GLN 56 6.739 0.449 -17.602 454 HB3 GLN 56 HB3 GLN 56 7.499 -0.754 -16.560 455 HG2 GLN 56 HG2 GLN 56 6.355 -2.541 -17.889 456 HG3 GLN 56 HG3 GLN 56 5.752 -1.282 -18.970 457 HE21 GLN 56 HE21 GLN 56 8.568 -3.064 -17.940 458 HE22 GLN 56 HE22 GLN 56 9.607 -2.546 -19.220 459 H ALA 57 H ALA 57 6.324 -0.872 -13.903 460 HA ALA 57 HA ALA 57 6.502 1.982 -13.190 461 HB1 ALA 57 HB1 ALA 57 5.106 -0.073 -11.415 462 HB2 ALA 57 HB2 ALA 57 4.309 1.227 -12.302 463 HB3 ALA 57 HB3 ALA 57 5.430 1.614 -10.994 464 H GLY 58 H GLY 58 8.471 2.375 -12.387 465 HA2 GLY 58 HA2 GLY 58 10.276 0.233 -11.567 466 HA3 GLY 58 HA3 GLY 58 10.663 1.937 -11.753 467 H ILE 59 H ILE 59 11.220 0.017 -9.534 468 HA ILE 59 HA ILE 59 9.751 1.073 -7.241 469 HB ILE 59 HB ILE 59 12.135 -0.850 -7.352 470 HG12 ILE 59 HG12 ILE 59 10.385 -2.550 -6.527 471 HG13 ILE 59 HG13 ILE 59 9.153 -1.354 -6.900 472 HG21 ILE 59 HG21 ILE 59 11.743 -1.287 -4.941 473 HG22 ILE 59 HG22 ILE 59 10.500 -0.033 -4.912 474 HG23 ILE 59 HG23 ILE 59 12.182 0.400 -5.229 475 HD11 ILE 59 HD11 ILE 59 11.032 -2.637 -8.885 476 HD12 ILE 59 HD12 ILE 59 9.761 -1.469 -9.261 477 HD13 ILE 59 HD13 ILE 59 9.339 -3.055 -8.618 478 H VAL 60 H VAL 60 10.486 2.735 -5.894 479 HA VAL 60 HA VAL 60 12.834 4.268 -6.727 480 HB VAL 60 HB VAL 60 10.898 4.834 -4.431 481 HG11 VAL 60 HG11 VAL 60 13.025 6.054 -4.197 482 HG12 VAL 60 HG12 VAL 60 11.708 7.167 -4.566 483 HG13 VAL 60 HG13 VAL 60 12.850 6.706 -5.831 484 HG21 VAL 60 HG21 VAL 60 9.646 4.745 -6.548 485 HG22 VAL 60 HG22 VAL 60 10.764 5.901 -7.276 486 HG23 VAL 60 HG23 VAL 60 9.728 6.401 -5.938 487 H ALA 61 H ALA 61 11.603 2.754 -3.737 488 HA ALA 61 HA ALA 61 14.238 1.919 -2.844 489 HB1 ALA 61 HB1 ALA 61 14.147 3.125 -0.688 490 HB2 ALA 61 HB2 ALA 61 12.664 3.941 -1.196 491 HB3 ALA 61 HB3 ALA 61 14.180 4.256 -2.043 492 H ILE 62 H ILE 62 14.133 0.306 -1.223 493 HA ILE 62 HA ILE 62 11.682 -0.463 0.104 494 HB ILE 62 HB ILE 62 11.124 -1.471 -2.040 495 HG12 ILE 62 HG12 ILE 62 12.088 -3.609 -0.071 496 HG13 ILE 62 HG13 ILE 62 10.504 -2.843 -0.098 497 HG21 ILE 62 HG21 ILE 62 13.358 -1.517 -3.056 498 HG22 ILE 62 HG22 ILE 62 12.558 -3.078 -3.230 499 HG23 ILE 62 HG23 ILE 62 13.825 -2.866 -2.018 500 HD11 ILE 62 HD11 ILE 62 10.061 -3.928 -2.262 501 HD12 ILE 62 HD12 ILE 62 10.375 -5.070 -0.959 502 HD13 ILE 62 HD13 ILE 62 11.627 -4.738 -2.154 503 H ARG 63 H ARG 63 12.025 -1.967 1.783 504 HA ARG 63 HA ARG 63 14.466 -3.496 2.001 505 HB2 ARG 63 HB2 ARG 63 15.038 -1.138 2.927 506 HB3 ARG 63 HB3 ARG 63 13.974 -1.509 4.275 507 HG2 ARG 63 HG2 ARG 63 16.381 -3.216 3.538 508 HG3 ARG 63 HG3 ARG 63 16.477 -1.853 4.650 509 HD2 ARG 63 HD2 ARG 63 14.876 -2.962 6.157 510 HD3 ARG 63 HD3 ARG 63 14.747 -4.319 5.040 511 HE ARG 63 HE ARG 63 17.311 -4.457 5.479 512 HH11 ARG 63 HH11 ARG 63 14.936 -3.663 7.878 513 HH12 ARG 63 HH12 ARG 63 15.825 -4.423 9.148 514 HH21 ARG 63 HH21 ARG 63 18.408 -5.417 7.113 515 HH22 ARG 63 HH22 ARG 63 17.770 -5.397 8.718 516 H ALA 64 H ALA 64 13.399 -5.357 2.235 517 HA ALA 64 HA ALA 64 12.197 -7.080 3.022 518 HB1 ALA 64 HB1 ALA 64 12.065 -7.389 5.447 519 HB2 ALA 64 HB2 ALA 64 12.440 -5.683 5.701 520 HB3 ALA 64 HB3 ALA 64 13.648 -6.752 4.983 521 H TYR 65 H TYR 65 10.706 -4.822 5.334 522 HA TYR 65 HA TYR 65 8.226 -4.556 3.836 523 HB2 TYR 65 HB2 TYR 65 6.785 -5.565 5.542 524 HB3 TYR 65 HB3 TYR 65 7.937 -6.754 4.964 525 HD1 TYR 65 HD2 TYR 65 9.959 -7.334 6.465 526 HD2 TYR 65 HD1 TYR 65 6.646 -5.031 7.882 527 HE1 TYR 65 HE2 TYR 65 10.597 -7.841 8.790 528 HE2 TYR 65 HE1 TYR 65 7.279 -5.540 10.198 529 HH TYR 65 HH TYR 65 10.270 -6.916 11.059 530 H SER 66 H SER 66 10.536 -3.270 5.762 531 HA SER 66 HA SER 66 9.168 -1.603 7.618 532 HB2 SER 66 HB2 SER 66 11.919 -1.206 6.358 533 HB3 SER 66 HB3 SER 66 11.331 -0.431 7.835 534 HG SER 66 HG SER 66 11.133 -2.624 8.699 535 H PHE 67 H PHE 67 9.680 -1.367 4.227 536 HA PHE 67 HA PHE 67 7.971 0.738 3.715 537 HB2 PHE 67 HB2 PHE 67 9.436 2.590 2.971 538 HB3 PHE 67 HB3 PHE 67 9.637 2.285 4.687 539 HD1 PHE 67 HD2 PHE 67 11.769 1.360 5.559 540 HD2 PHE 67 HD1 PHE 67 11.294 2.208 1.394 541 HE1 PHE 67 HE2 PHE 67 14.207 1.254 5.251 542 HE2 PHE 67 HE1 PHE 67 13.724 2.097 1.097 543 HZ PHE 67 HZ PHE 67 15.186 1.624 3.019 544 H ILE 68 H ILE 68 7.499 0.838 1.531 545 HA ILE 68 HA ILE 68 9.422 -0.038 -0.470 546 HB ILE 68 HB ILE 68 8.326 -2.168 0.084 547 HG12 ILE 68 HG12 ILE 68 7.378 -1.118 -2.628 548 HG13 ILE 68 HG13 ILE 68 8.984 -1.759 -2.289 549 HG21 ILE 68 HG21 ILE 68 5.891 -2.527 -0.284 550 HG22 ILE 68 HG22 ILE 68 5.704 -0.798 -0.595 551 HG23 ILE 68 HG23 ILE 68 6.215 -1.355 1.000 552 HD11 ILE 68 HD11 ILE 68 6.406 -3.303 -2.144 553 HD12 ILE 68 HD12 ILE 68 8.021 -3.945 -1.839 554 HD13 ILE 68 HD13 ILE 68 7.591 -3.362 -3.445 555 H ARG 69 H ARG 69 9.211 0.993 -2.373 556 HA ARG 69 HA ARG 69 7.061 3.034 -2.594 557 HB2 ARG 69 HB2 ARG 69 10.060 3.302 -3.040 558 HB3 ARG 69 HB3 ARG 69 8.904 4.490 -3.626 559 HG2 ARG 69 HG2 ARG 69 9.697 5.421 -1.636 560 HG3 ARG 69 HG3 ARG 69 8.154 4.723 -1.194 561 HD2 ARG 69 HD2 ARG 69 9.465 2.704 -0.336 562 HD3 ARG 69 HD3 ARG 69 10.914 3.692 -0.527 563 HE ARG 69 HE ARG 69 8.758 4.043 1.422 564 HH11 ARG 69 HH11 ARG 69 11.732 5.319 0.151 565 HH12 ARG 69 HH12 ARG 69 11.966 6.361 1.505 566 HH21 ARG 69 HH21 ARG 69 9.075 5.376 3.097 567 HH22 ARG 69 HH22 ARG 69 10.480 6.387 3.169 568 H PHE 70 H PHE 70 5.920 2.835 -4.444 569 HA PHE 70 HA PHE 70 7.294 1.917 -6.917 570 HB2 PHE 70 HB2 PHE 70 4.368 1.725 -6.107 571 HB3 PHE 70 HB3 PHE 70 4.889 1.535 -7.778 572 HD1 PHE 70 HD1 PHE 70 6.205 -0.416 -8.483 573 HD2 PHE 70 HD2 PHE 70 4.856 -0.016 -4.443 574 HE1 PHE 70 HE1 PHE 70 6.710 -2.783 -8.069 575 HE2 PHE 70 HE2 PHE 70 5.375 -2.378 -4.050 576 HZ PHE 70 HZ PHE 70 6.291 -3.767 -5.857 577 H HIS 71 H HIS 71 7.050 3.052 -8.797 578 HA HIS 71 HA HIS 71 5.579 5.546 -8.975 579 HB2 HIS 71 HB2 HIS 71 7.805 6.004 -7.703 580 HB3 HIS 71 HB3 HIS 71 8.620 5.672 -9.226 581 HD1 HIS 71 HD1 HIS 71 5.965 8.011 -7.852 582 HD2 HIS 71 HD2 HIS 71 8.884 7.905 -10.793 583 HE1 HIS 71 HE1 HIS 71 6.040 10.328 -8.793 584 HE2 HIS 71 HE2 HIS 71 7.576 10.132 -10.760 585 H TRP 72 H TRP 72 5.150 5.989 -11.153 586 HA TRP 72 HA TRP 72 5.499 3.774 -12.941 587 HB2 TRP 72 HB2 TRP 72 4.305 6.526 -13.491 588 HB3 TRP 72 HB3 TRP 72 4.151 5.113 -14.531 589 HD1 TRP 72 HD1 TRP 72 2.680 6.684 -11.428 590 HE1 TRP 72 HE1 TRP 72 0.667 5.311 -10.635 591 HE3 TRP 72 HE3 TRP 72 3.239 2.615 -14.470 592 HZ2 TRP 72 HZ2 TRP 72 -0.524 2.819 -11.195 593 HZ3 TRP 72 HZ3 TRP 72 1.618 0.771 -14.277 594 HH2 TRP 72 HH2 TRP 72 -0.229 0.870 -12.672 595 H LEU 73 H LEU 73 6.447 3.764 -15.048 596 HA LEU 73 HA LEU 73 8.908 5.260 -15.330 597 HB2 LEU 73 HB2 LEU 73 7.487 3.347 -17.223 598 HB3 LEU 73 HB3 LEU 73 9.076 4.048 -17.531 599 HG LEU 73 HG LEU 73 8.293 1.975 -15.448 600 HD11 LEU 73 HD11 LEU 73 10.047 0.635 -16.501 601 HD12 LEU 73 HD12 LEU 73 10.402 1.943 -17.630 602 HD13 LEU 73 HD13 LEU 73 8.834 1.133 -17.677 603 HD21 LEU 73 HD21 LEU 73 10.922 3.504 -15.509 604 HD22 LEU 73 HD22 LEU 73 10.585 2.074 -14.528 605 HD23 LEU 73 HD23 LEU 73 9.696 3.565 -14.239 606 H ASP 74 H ASP 74 5.665 5.406 -16.663 607 HA ASP 74 HA ASP 74 6.091 7.559 -18.494 608 HB2 ASP 74 HB2 ASP 74 3.528 7.739 -18.396 609 HB3 ASP 74 HB3 ASP 74 4.199 6.215 -18.953 610 H ASP 75 H ASP 75 4.468 7.575 -15.229 611 HA ASP 75 HA ASP 75 4.961 10.433 -14.915 612 HB2 ASP 75 HB2 ASP 75 2.941 9.317 -13.871 613 HB3 ASP 75 HB3 ASP 75 4.016 8.445 -12.784 614 H GLU 76 H GLU 76 7.245 10.474 -15.205 615 HA GLU 76 HA GLU 76 9.040 8.925 -13.577 616 HB2 GLU 76 HB2 GLU 76 10.837 10.225 -14.636 617 HB3 GLU 76 HB3 GLU 76 9.702 9.611 -15.831 618 HG2 GLU 76 HG2 GLU 76 8.679 11.825 -16.048 619 HG3 GLU 76 HG3 GLU 76 9.723 12.463 -14.779 620 H ASN 77 H ASN 77 7.631 12.151 -13.302 621 HA ASN 77 HA ASN 77 8.278 12.397 -10.530 622 HB2 ASN 77 HB2 ASN 77 10.523 13.008 -11.496 623 HB3 ASN 77 HB3 ASN 77 9.762 14.307 -12.405 624 HD21 ASN 77 HD21 ASN 77 10.683 13.212 -9.205 625 HD22 ASN 77 HD22 ASN 77 10.584 14.755 -8.439 626 H GLU 78 H GLU 78 6.018 12.749 -10.361 627 HA GLU 78 HA GLU 78 5.420 15.587 -10.439 628 HB2 GLU 78 HB2 GLU 78 4.562 14.826 -12.641 629 HB3 GLU 78 HB3 GLU 78 3.543 13.635 -11.840 630 HG2 GLU 78 HG2 GLU 78 2.280 15.431 -10.744 631 HG3 GLU 78 HG3 GLU 78 3.314 16.638 -11.499 632 H ARG 79 H ARG 79 3.050 12.890 -10.048 633 HA ARG 79 HA ARG 79 2.827 13.522 -7.163 634 HB2 ARG 79 HB2 ARG 79 0.581 13.859 -9.188 635 HB3 ARG 79 HB3 ARG 79 0.274 13.698 -7.461 636 HG2 ARG 79 HG2 ARG 79 1.498 15.756 -6.998 637 HG3 ARG 79 HG3 ARG 79 1.977 15.894 -8.692 638 HD2 ARG 79 HD2 ARG 79 -0.874 16.044 -7.639 639 HD3 ARG 79 HD3 ARG 79 0.118 17.421 -8.132 640 HE ARG 79 HE ARG 79 -0.641 15.267 -10.013 641 HH11 ARG 79 HH11 ARG 79 -0.432 18.663 -9.327 642 HH12 ARG 79 HH12 ARG 79 -0.966 19.105 -10.909 643 HH21 ARG 79 HH21 ARG 79 -1.278 15.876 -12.024 644 HH22 ARG 79 HH22 ARG 79 -1.440 17.554 -12.407 645 H ASP 80 H ASP 80 2.663 11.127 -9.631 646 HA ASP 80 HA ASP 80 1.052 9.250 -8.081 647 HB2 ASP 80 HB2 ASP 80 2.532 9.045 -10.720 648 HB3 ASP 80 HB3 ASP 80 1.850 7.620 -9.945 649 H TYR 81 H TYR 81 2.666 9.782 -6.277 650 HA TYR 81 HA TYR 81 4.643 7.581 -6.082 651 HB2 TYR 81 HB2 TYR 81 5.809 9.743 -6.020 652 HB3 TYR 81 HB3 TYR 81 4.719 10.349 -4.779 653 HD1 TYR 81 HD1 TYR 81 7.551 7.998 -5.432 654 HD2 TYR 81 HD2 TYR 81 5.074 9.768 -2.423 655 HE1 TYR 81 HE1 TYR 81 9.093 7.209 -3.676 656 HE2 TYR 81 HE2 TYR 81 6.610 8.982 -0.685 657 HH TYR 81 HH TYR 81 9.709 7.830 -1.339 658 H PHE 82 H PHE 82 3.726 6.029 -4.895 659 HA PHE 82 HA PHE 82 2.517 6.718 -2.289 660 HB2 PHE 82 HB2 PHE 82 0.900 4.867 -2.506 661 HB3 PHE 82 HB3 PHE 82 0.680 6.020 -3.811 662 HD1 PHE 82 HD2 PHE 82 1.606 5.430 -6.145 663 HD2 PHE 82 HD1 PHE 82 1.306 2.548 -2.989 664 HE1 PHE 82 HE2 PHE 82 1.743 3.603 -7.790 665 HE2 PHE 82 HE1 PHE 82 1.450 0.732 -4.641 666 HZ PHE 82 HZ PHE 82 1.662 1.256 -7.041 667 H GLU 83 H GLU 83 3.257 5.510 -0.583 668 HA GLU 83 HA GLU 83 4.901 3.127 -1.137 669 HB2 GLU 83 HB2 GLU 83 6.685 3.812 0.287 670 HB3 GLU 83 HB3 GLU 83 6.386 5.122 -0.831 671 HG2 GLU 83 HG2 GLU 83 6.702 6.333 1.079 672 HG3 GLU 83 HG3 GLU 83 4.957 6.111 1.169 673 H ILE 84 H ILE 84 5.105 1.659 0.625 674 HA ILE 84 HA ILE 84 2.906 1.806 2.605 675 HB ILE 84 HB ILE 84 3.708 -0.690 1.024 676 HG12 ILE 84 HG12 ILE 84 1.171 -0.474 0.242 677 HG13 ILE 84 HG13 ILE 84 1.371 1.221 0.651 678 HG21 ILE 84 HG21 ILE 84 1.789 -1.779 2.137 679 HG22 ILE 84 HG22 ILE 84 1.524 -0.325 3.102 680 HG23 ILE 84 HG23 ILE 84 3.015 -1.251 3.292 681 HD11 ILE 84 HD11 ILE 84 2.964 -0.330 -1.390 682 HD12 ILE 84 HD12 ILE 84 3.187 1.376 -0.995 683 HD13 ILE 84 HD13 ILE 84 1.675 0.828 -1.714 684 H LYS 85 H LYS 85 3.734 1.662 4.607 685 HA LYS 85 HA LYS 85 6.087 -0.043 5.178 686 HB2 LYS 85 HB2 LYS 85 4.806 2.043 7.011 687 HB3 LYS 85 HB3 LYS 85 6.322 1.176 7.273 688 HG2 LYS 85 HG2 LYS 85 7.240 2.358 5.240 689 HG3 LYS 85 HG3 LYS 85 5.756 3.324 5.212 690 HD2 LYS 85 HD2 LYS 85 6.320 3.981 7.642 691 HD3 LYS 85 HD3 LYS 85 7.906 3.249 7.373 692 HE2 LYS 85 HE2 LYS 85 8.066 5.636 7.003 693 HE3 LYS 85 HE3 LYS 85 8.239 4.820 5.446 694 HZ1 LYS 85 HZ1 LYS 85 6.761 6.700 5.262 695 HZ2 LYS 85 HZ2 LYS 85 5.767 6.090 6.484 696 HZ3 LYS 85 HZ3 LYS 85 5.899 5.265 5.018 697 H MET 86 H MET 86 5.920 -1.588 6.834 698 HA MET 86 HA MET 86 3.574 -1.621 8.580 699 HB2 MET 86 HB2 MET 86 3.631 -4.259 8.353 700 HB3 MET 86 HB3 MET 86 2.730 -3.312 7.185 701 HG2 MET 86 HG2 MET 86 4.412 -3.586 5.519 702 HG3 MET 86 HG3 MET 86 5.560 -4.232 6.690 703 HE1 MET 86 HE1 MET 86 1.761 -6.586 5.504 704 HE2 MET 86 HE2 MET 86 2.050 -4.935 4.959 705 HE3 MET 86 HE3 MET 86 1.752 -5.261 6.667 706 H SER 87 H SER 87 4.053 -2.362 10.629 707 HA SER 87 HA SER 87 6.840 -3.207 11.200 708 HB2 SER 87 HB2 SER 87 6.696 -0.770 11.625 709 HB3 SER 87 HB3 SER 87 5.325 -1.024 12.700 710 HG SER 87 HG SER 87 6.753 -1.274 14.207 711 H TYR 88 H TYR 88 7.072 -4.656 12.834 712 HA TYR 88 HA TYR 88 4.648 -6.023 13.753 713 HB2 TYR 88 HB2 TYR 88 6.388 -7.425 12.728 714 HB3 TYR 88 HB3 TYR 88 7.589 -6.828 13.871 715 HD1 TYR 88 HD1 TYR 88 4.260 -8.584 13.830 716 HD2 TYR 88 HD2 TYR 88 8.017 -8.150 15.823 717 HE1 TYR 88 HE1 TYR 88 3.648 -10.382 15.381 718 HE2 TYR 88 HE2 TYR 88 7.400 -9.956 17.372 719 HH TYR 88 HH TYR 88 4.679 -11.985 16.870 720 H ASN 89 H ASN 89 3.815 -5.134 15.594 721 HA ASN 89 HA ASN 89 5.429 -3.989 17.695 722 HB2 ASN 89 HB2 ASN 89 2.489 -4.806 17.703 723 HB3 ASN 89 HB3 ASN 89 3.284 -3.886 18.980 724 HD21 ASN 89 HD21 ASN 89 1.848 -3.748 15.850 725 HD22 ASN 89 HD22 ASN 89 1.967 -2.046 15.651 726 H GLU 90 H GLU 90 6.821 -5.413 18.657 727 HA GLU 90 HA GLU 90 6.342 -8.191 19.078 728 HB2 GLU 90 HB2 GLU 90 8.386 -6.393 20.449 729 HB3 GLU 90 HB3 GLU 90 8.464 -8.152 20.330 730 HG2 GLU 90 HG2 GLU 90 8.797 -8.036 17.933 731 HG3 GLU 90 HG3 GLU 90 8.511 -6.297 17.927 732 H LEU 91 H LEU 91 5.297 -5.448 20.824 733 HA LEU 91 HA LEU 91 5.212 -6.557 23.487 734 HB2 LEU 91 HB2 LEU 91 3.901 -4.044 22.383 735 HB3 LEU 91 HB3 LEU 91 4.112 -4.441 24.083 736 HG LEU 91 HG LEU 91 6.354 -3.826 22.106 737 HD11 LEU 91 HD11 LEU 91 5.305 -2.177 24.429 738 HD12 LEU 91 HD12 LEU 91 5.075 -1.830 22.713 739 HD13 LEU 91 HD13 LEU 91 6.692 -1.777 23.409 740 HD21 LEU 91 HD21 LEU 91 7.098 -5.477 23.764 741 HD22 LEU 91 HD22 LEU 91 6.550 -4.434 25.079 742 HD23 LEU 91 HD23 LEU 91 7.879 -3.920 24.037 743 H THR 92 H THR 92 3.096 -6.649 20.734 744 HA THR 92 HA THR 92 1.003 -7.945 22.357 745 HB THR 92 HB THR 92 0.170 -5.674 22.046 746 HG1 THR 92 HG1 THR 92 -1.576 -6.727 20.274 747 HG21 THR 92 HG21 THR 92 1.371 -5.011 19.982 748 HG22 THR 92 HG22 THR 92 -0.363 -4.734 19.814 749 HG23 THR 92 HG23 THR 92 0.385 -6.133 19.040 750 H GLY 93 H GLY 93 2.245 -7.421 19.066 751 HA2 GLY 93 HA2 GLY 93 2.886 -9.470 17.830 752 HA3 GLY 93 HA3 GLY 93 1.326 -10.142 18.277 753 H ASP 94 H ASP 94 0.053 -7.451 17.801 754 HA ASP 94 HA ASP 94 -0.771 -7.856 15.110 755 HB2 ASP 94 HB2 ASP 94 -1.253 -5.443 16.919 756 HB3 ASP 94 HB3 ASP 94 -2.164 -5.845 15.458 757 H TYR 95 H TYR 95 -0.677 -6.317 13.340 758 HA TYR 95 HA TYR 95 1.909 -4.902 13.111 759 HB2 TYR 95 HB2 TYR 95 0.068 -6.248 11.138 760 HB3 TYR 95 HB3 TYR 95 1.005 -4.883 10.552 761 HD1 TYR 95 HD1 TYR 95 1.332 -8.289 12.088 762 HD2 TYR 95 HD2 TYR 95 3.319 -5.097 10.045 763 HE1 TYR 95 HE1 TYR 95 3.303 -9.727 11.742 764 HE2 TYR 95 HE2 TYR 95 5.275 -6.528 9.702 765 HH TYR 95 HH TYR 95 6.320 -8.517 10.717 766 H VAL 96 H VAL 96 2.003 -2.739 13.122 767 HA VAL 96 HA VAL 96 -0.331 -1.080 12.483 768 HB VAL 96 HB VAL 96 0.943 -0.182 14.302 769 HG11 VAL 96 HG11 VAL 96 3.449 -0.271 12.587 770 HG12 VAL 96 HG12 VAL 96 3.085 -1.336 13.945 771 HG13 VAL 96 HG13 VAL 96 3.339 0.388 14.224 772 HG21 VAL 96 HG21 VAL 96 0.091 1.528 12.728 773 HG22 VAL 96 HG22 VAL 96 1.614 1.491 11.835 774 HG23 VAL 96 HG23 VAL 96 1.581 2.073 13.502 775 H LEU 97 H LEU 97 -0.790 -0.602 10.453 776 HA LEU 97 HA LEU 97 1.222 -0.956 8.292 777 HB2 LEU 97 HB2 LEU 97 -0.817 -2.446 8.336 778 HB3 LEU 97 HB3 LEU 97 -1.823 -1.019 8.165 779 HG LEU 97 HG LEU 97 -0.678 -0.563 5.961 780 HD11 LEU 97 HD11 LEU 97 0.584 -2.327 4.857 781 HD12 LEU 97 HD12 LEU 97 0.472 -3.343 6.296 782 HD13 LEU 97 HD13 LEU 97 1.388 -1.836 6.351 783 HD21 LEU 97 HD21 LEU 97 -2.896 -1.587 6.031 784 HD22 LEU 97 HD22 LEU 97 -2.173 -3.193 6.158 785 HD23 LEU 97 HD23 LEU 97 -1.948 -2.235 4.692 786 H GLU 98 H GLU 98 1.812 0.870 7.145 787 HA GLU 98 HA GLU 98 0.230 3.359 7.519 788 HB2 GLU 98 HB2 GLU 98 2.321 3.086 9.050 789 HB3 GLU 98 HB3 GLU 98 3.283 3.275 7.583 790 HG2 GLU 98 HG2 GLU 98 2.031 5.478 7.219 791 HG3 GLU 98 HG3 GLU 98 1.395 5.260 8.855 792 H ILE 99 H ILE 99 -0.521 3.751 5.463 793 HA ILE 99 HA ILE 99 1.289 3.511 3.126 794 HB ILE 99 HB ILE 99 -1.752 3.594 3.357 795 HG12 ILE 99 HG12 ILE 99 -1.558 1.463 1.938 796 HG13 ILE 99 HG13 ILE 99 0.183 1.551 2.163 797 HG21 ILE 99 HG21 ILE 99 -1.909 3.550 0.862 798 HG22 ILE 99 HG22 ILE 99 -0.177 3.885 0.768 799 HG23 ILE 99 HG23 ILE 99 -1.267 5.078 1.479 800 HD11 ILE 99 HD11 ILE 99 -0.904 -0.054 3.624 801 HD12 ILE 99 HD12 ILE 99 -1.848 1.244 4.357 802 HD13 ILE 99 HD13 ILE 99 -0.092 1.220 4.532 803 H THR 100 H THR 100 2.205 5.356 2.329 804 HA THR 100 HA THR 100 1.221 8.000 3.137 805 HB THR 100 HB THR 100 3.704 7.218 1.550 806 HG1 THR 100 HG1 THR 100 3.903 6.563 3.668 807 HG21 THR 100 HG21 THR 100 3.014 9.534 1.009 808 HG22 THR 100 HG22 THR 100 4.503 9.510 1.955 809 HG23 THR 100 HG23 THR 100 2.974 9.924 2.733 810 H ASP 101 H ASP 101 -0.305 8.922 1.938 811 HA ASP 101 HA ASP 101 -0.358 8.696 -1.016 812 HB2 ASP 101 HB2 ASP 101 -2.203 7.428 -0.003 813 HB3 ASP 101 HB3 ASP 101 -2.644 8.799 1.011 814 H PHE 102 H PHE 102 -1.105 10.626 -2.137 815 HA PHE 102 HA PHE 102 -0.977 13.174 -0.594 816 HB2 PHE 102 HB2 PHE 102 -0.349 12.708 -3.551 817 HB3 PHE 102 HB3 PHE 102 -0.296 14.265 -2.733 818 HD1 PHE 102 HD1 PHE 102 1.403 14.570 -0.814 819 HD2 PHE 102 HD2 PHE 102 1.586 11.300 -3.580 820 HE1 PHE 102 HE1 PHE 102 3.757 14.181 -0.215 821 HE2 PHE 102 HE2 PHE 102 3.937 10.927 -2.960 822 HZ PHE 102 HZ PHE 102 5.024 12.360 -1.281 823 H SER 103 H SER 103 -2.946 14.138 -0.375 824 HA SER 103 HA SER 103 -4.802 14.221 -2.672 825 HB2 SER 103 HB2 SER 103 -5.541 13.257 0.121 826 HB3 SER 103 HB3 SER 103 -6.752 13.867 -1.009 827 HG SER 103 HG SER 103 -5.110 11.586 -1.236 828 H GLU 104 H GLU 104 -5.775 16.094 -2.981 829 HA GLU 104 HA GLU 104 -5.375 18.504 -1.577 830 HB2 GLU 104 HB2 GLU 104 -7.318 17.510 -3.673 831 HB3 GLU 104 HB3 GLU 104 -7.571 19.102 -2.973 832 HG2 GLU 104 HG2 GLU 104 -4.888 18.377 -4.158 833 HG3 GLU 104 HG3 GLU 104 -6.229 18.831 -5.211 834 H ALA 105 H ALA 105 -7.028 19.794 -0.418 835 HA ALA 105 HA ALA 105 -8.219 18.713 1.782 836 HB1 ALA 105 HB1 ALA 105 -9.228 21.169 0.322 837 HB2 ALA 105 HB2 ALA 105 -7.874 21.127 1.454 838 HB3 ALA 105 HB3 ALA 105 -9.508 20.779 2.023 839 H ASP 106 H ASP 106 -9.903 19.270 -1.332 840 HA ASP 106 HA ASP 106 -12.470 18.344 -0.490 841 HB2 ASP 106 HB2 ASP 106 -11.293 18.566 -3.288 842 HB3 ASP 106 HB3 ASP 106 -12.996 18.268 -2.942 843 H GLU 107 H GLU 107 -9.635 16.665 -1.695 844 HA GLU 107 HA GLU 107 -11.035 14.148 -2.257 845 HB2 GLU 107 HB2 GLU 107 -8.046 14.775 -2.294 846 HB3 GLU 107 HB3 GLU 107 -8.815 13.319 -2.934 847 HG2 GLU 107 HG2 GLU 107 -9.964 14.671 -4.634 848 HG3 GLU 107 HG3 GLU 107 -9.222 16.135 -3.988 849 H ALA 108 H ALA 108 -9.284 15.676 0.319 850 HA ALA 108 HA ALA 108 -8.398 13.385 1.773 851 HB1 ALA 108 HB1 ALA 108 -8.002 14.963 3.624 852 HB2 ALA 108 HB2 ALA 108 -8.914 16.212 2.769 853 HB3 ALA 108 HB3 ALA 108 -7.396 15.615 2.098 854 H ASP 109 H ASP 109 -11.420 15.168 1.644 855 HA ASP 109 HA ASP 109 -12.787 14.085 3.855 856 HB2 ASP 109 HB2 ASP 109 -13.650 15.977 2.553 857 HB3 ASP 109 HB3 ASP 109 -13.821 14.962 1.124 858 H ASP 110 H ASP 110 -12.558 12.879 0.476 859 HA ASP 110 HA ASP 110 -13.958 10.450 0.764 860 HB2 ASP 110 HB2 ASP 110 -13.408 11.275 -1.453 861 HB3 ASP 110 HB3 ASP 110 -11.681 11.224 -1.105 862 H LEU 111 H LEU 111 -10.470 11.120 1.085 863 HA LEU 111 HA LEU 111 -9.624 8.500 1.706 864 HB2 LEU 111 HB2 LEU 111 -8.419 11.237 1.938 865 HB3 LEU 111 HB3 LEU 111 -7.638 9.950 2.829 866 HG LEU 111 HG LEU 111 -6.576 10.352 0.621 867 HD11 LEU 111 HD11 LEU 111 -7.876 7.621 0.825 868 HD12 LEU 111 HD12 LEU 111 -6.391 8.137 1.629 869 HD13 LEU 111 HD13 LEU 111 -6.443 8.026 -0.128 870 HD21 LEU 111 HD21 LEU 111 -9.212 9.430 -0.584 871 HD22 LEU 111 HD22 LEU 111 -7.714 9.732 -1.471 872 HD23 LEU 111 HD23 LEU 111 -8.539 11.060 -0.663 873 H LYS 112 H LYS 112 -10.731 11.090 3.846 874 HA LYS 112 HA LYS 112 -10.246 9.633 6.277 875 HB2 LYS 112 HB2 LYS 112 -11.825 12.168 5.733 876 HB3 LYS 112 HB3 LYS 112 -11.703 11.448 7.341 877 HG2 LYS 112 HG2 LYS 112 -9.383 12.436 5.643 878 HG3 LYS 112 HG3 LYS 112 -10.049 13.241 7.069 879 HD2 LYS 112 HD2 LYS 112 -9.269 11.497 8.533 880 HD3 LYS 112 HD3 LYS 112 -8.888 10.425 7.185 881 HE2 LYS 112 HE2 LYS 112 -6.852 11.371 8.149 882 HE3 LYS 112 HE3 LYS 112 -7.069 11.937 6.494 883 HZ1 LYS 112 HZ1 LYS 112 -7.840 13.497 8.897 884 HZ2 LYS 112 HZ2 LYS 112 -7.822 14.032 7.293 885 HZ3 LYS 112 HZ3 LYS 112 -6.371 13.672 8.081 886 H GLU 113 H GLU 113 -13.050 9.903 4.123 887 HA GLU 113 HA GLU 113 -14.810 8.288 5.684 888 HB2 GLU 113 HB2 GLU 113 -14.639 8.826 2.699 889 HB3 GLU 113 HB3 GLU 113 -15.824 7.700 3.354 890 HG2 GLU 113 HG2 GLU 113 -15.601 10.629 4.108 891 HG3 GLU 113 HG3 GLU 113 -16.761 9.957 2.965 892 H LEU 114 H LEU 114 -12.244 7.487 3.359 893 HA LEU 114 HA LEU 114 -12.573 4.642 3.431 894 HB2 LEU 114 HB2 LEU 114 -10.131 6.309 2.696 895 HB3 LEU 114 HB3 LEU 114 -10.306 4.586 2.385 896 HG LEU 114 HG LEU 114 -12.029 6.768 1.144 897 HD11 LEU 114 HD11 LEU 114 -10.857 6.293 -0.954 898 HD12 LEU 114 HD12 LEU 114 -9.790 5.160 -0.118 899 HD13 LEU 114 HD13 LEU 114 -9.751 6.879 0.287 900 HD21 LEU 114 HD21 LEU 114 -11.977 3.785 0.589 901 HD22 LEU 114 HD22 LEU 114 -12.902 4.983 -0.321 902 HD23 LEU 114 HD23 LEU 114 -13.278 4.684 1.373 903 H TRP 115 H TRP 115 -10.674 6.969 5.301 904 HA TRP 115 HA TRP 115 -9.067 5.258 6.852 905 HB2 TRP 115 HB2 TRP 115 -8.616 7.634 6.895 906 HB3 TRP 115 HB3 TRP 115 -10.254 8.017 7.399 907 HD1 TRP 115 HD1 TRP 115 -10.842 7.604 10.057 908 HE1 TRP 115 HE1 TRP 115 -9.333 7.639 12.128 909 HE3 TRP 115 HE3 TRP 115 -6.291 7.129 7.766 910 HZ2 TRP 115 HZ2 TRP 115 -6.588 7.503 12.732 911 HZ3 TRP 115 HZ3 TRP 115 -4.269 7.106 9.169 912 HH2 TRP 115 HH2 TRP 115 -4.412 7.292 11.602 913 H ASP 116 H ASP 116 -12.207 6.757 7.795 914 HA ASP 116 HA ASP 116 -12.517 5.285 10.192 915 HB2 ASP 116 HB2 ASP 116 -13.647 7.514 9.492 916 HB3 ASP 116 HB3 ASP 116 -14.822 6.528 8.636 917 H SER 117 H SER 117 -13.826 4.786 6.906 918 HA SER 117 HA SER 117 -15.506 2.593 7.371 919 HB2 SER 117 HB2 SER 117 -15.504 3.728 5.195 920 HB3 SER 117 HB3 SER 117 -13.872 3.166 4.866 921 HG SER 117 HG SER 117 -16.180 1.931 4.373 922 H GLN 118 H GLN 118 -11.975 2.622 6.706 923 HA GLN 118 HA GLN 118 -11.820 -0.273 6.730 924 HB2 GLN 118 HB2 GLN 118 -9.699 1.893 6.542 925 HB3 GLN 118 HB3 GLN 118 -9.291 0.178 6.635 926 HG2 GLN 118 HG2 GLN 118 -10.965 1.490 4.459 927 HG3 GLN 118 HG3 GLN 118 -9.284 0.981 4.309 928 HE21 GLN 118 HE21 GLN 118 -12.601 -0.110 4.474 929 HE22 GLN 118 HE22 GLN 118 -12.299 -1.746 4.006 930 H VAL 119 H VAL 119 -10.709 2.280 9.027 931 HA VAL 119 HA VAL 119 -9.302 0.495 10.717 932 HB VAL 119 HB VAL 119 -8.838 2.955 10.609 933 HG11 VAL 119 HG11 VAL 119 -11.129 3.848 10.652 934 HG12 VAL 119 HG12 VAL 119 -10.156 4.560 11.940 935 HG13 VAL 119 HG13 VAL 119 -11.328 3.295 12.317 936 HG21 VAL 119 HG21 VAL 119 -9.351 1.908 13.416 937 HG22 VAL 119 HG22 VAL 119 -8.287 3.255 13.003 938 HG23 VAL 119 HG23 VAL 119 -7.899 1.624 12.452 939 H SER 120 H SER 120 -12.622 1.782 10.917 940 HA SER 120 HA SER 120 -13.322 0.516 13.394 941 HB2 SER 120 HB2 SER 120 -15.156 1.490 11.158 942 HB3 SER 120 HB3 SER 120 -15.636 1.149 12.827 943 HG SER 120 HG SER 120 -14.859 3.438 11.900 944 H LYS 121 H LYS 121 -13.523 -0.434 10.006 945 HA LYS 121 HA LYS 121 -15.321 -2.645 10.357 946 HB2 LYS 121 HB2 LYS 121 -15.158 -1.302 8.295 947 HB3 LYS 121 HB3 LYS 121 -13.551 -1.940 8.003 948 HG2 LYS 121 HG2 LYS 121 -14.399 -4.121 7.537 949 HG3 LYS 121 HG3 LYS 121 -16.002 -3.708 8.151 950 HD2 LYS 121 HD2 LYS 121 -14.745 -2.395 5.697 951 HD3 LYS 121 HD3 LYS 121 -15.808 -3.798 5.622 952 HE2 LYS 121 HE2 LYS 121 -17.225 -1.956 5.155 953 HE3 LYS 121 HE3 LYS 121 -17.562 -2.348 6.836 954 HZ1 LYS 121 HZ1 LYS 121 -15.849 -0.123 5.858 955 HZ2 LYS 121 HZ2 LYS 121 -16.106 -0.501 7.483 956 HZ3 LYS 121 HZ3 LYS 121 -17.397 0.012 6.523 957 H LEU 122 H LEU 122 -11.783 -2.391 10.009 958 HA LEU 122 HA LEU 122 -11.079 -5.091 9.806 959 HB2 LEU 122 HB2 LEU 122 -9.544 -2.856 11.183 960 HB3 LEU 122 HB3 LEU 122 -8.860 -4.418 10.754 961 HG LEU 122 HG LEU 122 -9.871 -2.328 8.781 962 HD11 LEU 122 HD11 LEU 122 -7.800 -1.622 9.858 963 HD12 LEU 122 HD12 LEU 122 -7.524 -2.016 8.164 964 HD13 LEU 122 HD13 LEU 122 -7.026 -3.151 9.424 965 HD21 LEU 122 HD21 LEU 122 -8.527 -4.988 8.220 966 HD22 LEU 122 HD22 LEU 122 -8.944 -3.762 7.018 967 HD23 LEU 122 HD23 LEU 122 -10.220 -4.589 7.908 968 H ARG 123 H ARG 123 -12.030 -3.194 12.586 969 HA ARG 123 HA ARG 123 -11.280 -5.063 14.629 970 HB2 ARG 123 HB2 ARG 123 -13.253 -2.740 14.704 971 HB3 ARG 123 HB3 ARG 123 -12.625 -3.588 16.121 972 HG2 ARG 123 HG2 ARG 123 -10.337 -2.814 15.555 973 HG3 ARG 123 HG3 ARG 123 -10.978 -1.965 14.145 974 HD2 ARG 123 HD2 ARG 123 -10.609 -0.407 15.998 975 HD3 ARG 123 HD3 ARG 123 -12.332 -0.527 15.629 976 HE ARG 123 HE ARG 123 -11.619 -2.354 17.689 977 HH11 ARG 123 HH11 ARG 123 -12.216 1.023 17.217 978 HH12 ARG 123 HH12 ARG 123 -12.648 1.274 18.868 979 HH21 ARG 123 HH21 ARG 123 -12.164 -2.005 19.773 980 HH22 ARG 123 HH22 ARG 123 -12.632 -0.424 20.295 981 H ARG 124 H ARG 124 -14.463 -4.209 13.132 982 HA ARG 124 HA ARG 124 -15.878 -6.193 14.670 983 HB2 ARG 124 HB2 ARG 124 -17.887 -5.560 13.314 984 HB3 ARG 124 HB3 ARG 124 -17.104 -4.226 14.136 985 HG2 ARG 124 HG2 ARG 124 -17.733 -3.354 12.042 986 HG3 ARG 124 HG3 ARG 124 -16.004 -3.658 11.889 987 HD2 ARG 124 HD2 ARG 124 -17.323 -4.318 9.865 988 HD3 ARG 124 HD3 ARG 124 -16.413 -5.656 10.575 989 HE ARG 124 HE ARG 124 -19.175 -5.435 11.452 990 HH11 ARG 124 HH11 ARG 124 -17.074 -6.901 9.121 991 HH12 ARG 124 HH12 ARG 124 -18.165 -8.196 8.802 992 HH21 ARG 124 HH21 ARG 124 -20.540 -7.103 11.022 993 HH22 ARG 124 HH22 ARG 124 -20.109 -8.303 9.850 994 H THR 125 H THR 125 -14.351 -6.298 11.518 995 HA THR 125 HA THR 125 -15.490 -8.912 10.838 996 HB THR 125 HB THR 125 -14.858 -7.233 9.016 997 HG1 THR 125 HG1 THR 125 -13.704 -8.984 7.750 998 HG21 THR 125 HG21 THR 125 -12.523 -7.099 8.271 999 HG22 THR 125 HG22 THR 125 -12.006 -8.105 9.626 1000 HG23 THR 125 HG23 THR 125 -12.662 -6.495 9.923 1001 H CYS 126 H CYS 126 -12.826 -7.608 12.568 1002 HA CYS 126 HA CYS 126 -10.983 -8.363 13.591 1003 HB2 CYS 126 HB2 CYS 126 -12.437 -11.033 13.573 1004 HB3 CYS 126 HB3 CYS 126 -11.048 -10.637 14.585 1005 HG CYS 126 HG CYS 126 -13.873 -8.750 14.772 1006 H GLY 127 H GLY 127 -9.937 -7.864 11.481 1007 HA2 GLY 127 HA2 GLY 127 -7.782 -9.219 10.800 1008 HA3 GLY 127 HA3 GLY 127 -8.965 -10.186 9.934 1009 H PHE 128 H PHE 128 -10.144 -9.210 8.178 1010 HA PHE 128 HA PHE 128 -9.188 -6.686 7.066 1011 HB2 PHE 128 HB2 PHE 128 -8.364 -7.684 4.960 1012 HB3 PHE 128 HB3 PHE 128 -7.439 -8.263 6.338 1013 HD1 PHE 128 HD1 PHE 128 -7.827 -10.623 7.201 1014 HD2 PHE 128 HD2 PHE 128 -9.577 -9.240 3.545 1015 HE1 PHE 128 HE1 PHE 128 -8.256 -12.947 6.517 1016 HE2 PHE 128 HE2 PHE 128 -10.001 -11.568 2.872 1017 HZ PHE 128 HZ PHE 128 -9.343 -13.422 4.356 1018 H LEU 129 H LEU 129 -10.589 -5.750 5.624 1019 HA LEU 129 HA LEU 129 -12.360 -7.175 3.908 1020 HB2 LEU 129 HB2 LEU 129 -13.661 -7.288 6.069 1021 HB3 LEU 129 HB3 LEU 129 -13.734 -5.537 6.081 1022 HG LEU 129 HG LEU 129 -15.138 -5.517 4.075 1023 HD11 LEU 129 HD11 LEU 129 -15.950 -7.585 3.003 1024 HD12 LEU 129 HD12 LEU 129 -14.873 -8.540 4.025 1025 HD13 LEU 129 HD13 LEU 129 -14.203 -7.406 2.852 1026 HD21 LEU 129 HD21 LEU 129 -17.167 -6.606 4.951 1027 HD22 LEU 129 HD22 LEU 129 -16.296 -5.760 6.226 1028 HD23 LEU 129 HD23 LEU 129 -16.193 -7.519 6.108 1029 H GLU 130 H GLU 130 -11.796 -6.032 2.153 1030 HA GLU 130 HA GLU 130 -10.631 -3.400 2.432 1031 HB2 GLU 130 HB2 GLU 130 -9.989 -5.599 0.900 1032 HB3 GLU 130 HB3 GLU 130 -10.818 -4.630 -0.304 1033 HG2 GLU 130 HG2 GLU 130 -8.319 -3.920 1.264 1034 HG3 GLU 130 HG3 GLU 130 -8.457 -4.203 -0.469 1035 H HIS 131 H HIS 131 -11.557 -1.480 1.940 1036 HA HIS 131 HA HIS 131 -13.737 -1.277 -0.034 1037 HB2 HIS 131 HB2 HIS 131 -13.984 -0.434 2.870 1038 HB3 HIS 131 HB3 HIS 131 -14.920 0.391 1.627 1039 HD1 HIS 131 HD1 HIS 131 -16.968 -0.791 0.716 1040 HD2 HIS 131 HD2 HIS 131 -14.723 -3.204 3.254 1041 HE1 HIS 131 HE1 HIS 131 -18.399 -2.795 1.176 1042 HE2 HIS 131 HE2 HIS 131 -17.090 -4.163 2.832 1043 H HIS 132 H HIS 132 -10.772 -0.242 0.714 1044 HA HIS 132 HA HIS 132 -10.997 2.551 -0.120 1045 HB2 HIS 132 HB2 HIS 132 -9.156 1.651 1.396 1046 HB3 HIS 132 HB3 HIS 132 -8.526 0.748 0.036 1047 HD1 HIS 132 HD1 HIS 132 -8.079 3.834 1.799 1048 HD2 HIS 132 HD2 HIS 132 -7.634 2.623 -2.156 1049 HE1 HIS 132 HE1 HIS 132 -6.512 5.496 0.761 1050 HE2 HIS 132 HE2 HIS 132 -6.205 4.711 -1.606 1051 H HIS 133 H HIS 133 -12.402 1.883 -1.966 1052 HA HIS 133 HA HIS 133 -11.608 0.005 -3.919 1053 HB2 HIS 133 HB2 HIS 133 -13.579 0.833 -5.230 1054 HB3 HIS 133 HB3 HIS 133 -13.952 0.412 -3.567 1055 HD1 HIS 133 HD1 HIS 133 -14.915 2.234 -2.081 1056 HD2 HIS 133 HD2 HIS 133 -13.682 3.669 -5.783 1057 HE1 HIS 133 HE1 HIS 133 -15.875 4.539 -2.260 1058 HE2 HIS 133 HE2 HIS 133 -15.028 5.429 -4.449 1059 H HIS 134 H HIS 134 -11.388 0.372 -6.248 1060 HA HIS 134 HA HIS 134 -8.973 1.785 -6.670 1061 HB2 HIS 134 HB2 HIS 134 -9.635 -0.373 -7.778 1062 HB3 HIS 134 HB3 HIS 134 -10.802 0.504 -8.749 1063 HD1 HIS 134 HD1 HIS 134 -7.476 -0.788 -8.912 1064 HD2 HIS 134 HD2 HIS 134 -9.371 2.562 -10.471 1065 HE1 HIS 134 HE1 HIS 134 -6.042 -0.045 -10.834 1066 HE2 HIS 134 HE2 HIS 134 -7.358 1.810 -11.904 1067 H HIS 135 H HIS 135 -9.220 4.012 -6.414 1068 HA HIS 135 HA HIS 135 -10.296 5.360 -8.820 1069 HB2 HIS 135 HB2 HIS 135 -10.842 7.360 -7.533 1070 HB3 HIS 135 HB3 HIS 135 -11.666 5.987 -6.820 1071 HD1 HIS 135 HD1 HIS 135 -10.350 4.982 -4.598 1072 HD2 HIS 135 HD2 HIS 135 -9.551 8.906 -5.688 1073 HE1 HIS 135 HE1 HIS 135 -9.315 6.043 -2.577 1074 HE2 HIS 135 HE2 HIS 135 -9.150 8.472 -3.173 1075 H HIS 136 H HIS 136 -8.776 6.316 -9.996 1076 HA HIS 136 HA HIS 136 -6.771 6.888 -10.851 1077 HB2 HIS 136 HB2 HIS 136 -7.108 8.833 -9.258 1078 HB3 HIS 136 HB3 HIS 136 -6.105 7.992 -8.085 1079 HD1 HIS 136 HD1 HIS 136 -5.939 9.814 -11.355 1080 HD2 HIS 136 HD2 HIS 136 -3.329 8.140 -8.593 1081 HE1 HIS 136 HE1 HIS 136 -3.659 10.599 -12.033 1082 HE2 HIS 136 HE2 HIS 136 -2.084 9.431 -10.461 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -4.645 25.701 -6.059 2 H2 MET 1 H2 MET 1 -5.353 25.655 -4.527 3 H3 MET 1 H3 MET 1 -6.323 25.574 -5.905 4 HA MET 1 HA MET 1 -6.113 23.430 -4.866 5 HB2 MET 1 HB2 MET 1 -4.809 23.767 -7.593 6 HB3 MET 1 HB3 MET 1 -5.169 22.182 -6.921 7 HG2 MET 1 HG2 MET 1 -6.899 22.882 -8.488 8 HG3 MET 1 HG3 MET 1 -7.560 22.736 -6.856 9 HE1 MET 1 HE1 MET 1 -9.646 25.679 -8.473 10 HE2 MET 1 HE2 MET 1 -9.743 24.106 -7.684 11 HE3 MET 1 HE3 MET 1 -9.032 24.240 -9.293 12 H LYS 2 H LYS 2 -4.899 22.736 -3.182 13 HA LYS 2 HA LYS 2 -2.050 22.063 -3.654 14 HB2 LYS 2 HB2 LYS 2 -2.207 24.168 -2.279 15 HB3 LYS 2 HB3 LYS 2 -3.117 23.281 -1.062 16 HG2 LYS 2 HG2 LYS 2 -1.162 21.837 -0.633 17 HG3 LYS 2 HG3 LYS 2 -0.253 22.675 -1.897 18 HD2 LYS 2 HD2 LYS 2 -0.423 24.792 -0.588 19 HD3 LYS 2 HD3 LYS 2 -1.301 23.927 0.680 20 HE2 LYS 2 HE2 LYS 2 1.549 23.321 -0.201 21 HE3 LYS 2 HE3 LYS 2 1.101 24.249 1.230 22 HZ1 LYS 2 HZ1 LYS 2 1.606 21.995 1.839 23 HZ2 LYS 2 HZ2 LYS 2 0.485 21.386 0.732 24 HZ3 LYS 2 HZ3 LYS 2 -0.049 22.263 2.071 25 H LYS 3 H LYS 3 -1.432 20.064 -2.823 26 HA LYS 3 HA LYS 3 -3.677 18.292 -2.190 27 HB2 LYS 3 HB2 LYS 3 -0.810 17.565 -2.902 28 HB3 LYS 3 HB3 LYS 3 -2.176 16.456 -2.778 29 HG2 LYS 3 HG2 LYS 3 -3.186 18.107 -4.650 30 HG3 LYS 3 HG3 LYS 3 -1.470 18.398 -4.962 31 HD2 LYS 3 HD2 LYS 3 -2.961 15.748 -5.072 32 HD3 LYS 3 HD3 LYS 3 -2.253 16.628 -6.428 33 HE2 LYS 3 HE2 LYS 3 0.015 16.201 -5.512 34 HE3 LYS 3 HE3 LYS 3 -0.701 15.340 -4.146 35 HZ1 LYS 3 HZ1 LYS 3 -1.622 13.731 -5.717 36 HZ2 LYS 3 HZ2 LYS 3 0.065 13.816 -5.808 37 HZ3 LYS 3 HZ3 LYS 3 -0.878 14.553 -6.998 38 H GLU 4 H GLU 4 -2.998 16.282 -0.883 39 HA GLU 4 HA GLU 4 -1.476 16.920 1.566 40 HB2 GLU 4 HB2 GLU 4 -3.843 17.256 2.140 41 HB3 GLU 4 HB3 GLU 4 -4.284 15.705 1.428 42 HG2 GLU 4 HG2 GLU 4 -2.957 14.540 3.167 43 HG3 GLU 4 HG3 GLU 4 -2.528 16.093 3.879 44 H LYS 5 H LYS 5 -0.024 15.333 2.017 45 HA LYS 5 HA LYS 5 -0.190 12.642 0.931 46 HB2 LYS 5 HB2 LYS 5 2.007 13.695 1.410 47 HB3 LYS 5 HB3 LYS 5 1.594 13.805 3.119 48 HG2 LYS 5 HG2 LYS 5 1.451 11.275 3.166 49 HG3 LYS 5 HG3 LYS 5 2.036 11.271 1.499 50 HD2 LYS 5 HD2 LYS 5 3.916 10.852 2.941 51 HD3 LYS 5 HD3 LYS 5 4.099 12.476 2.274 52 HE2 LYS 5 HE2 LYS 5 3.079 13.341 4.462 53 HE3 LYS 5 HE3 LYS 5 3.249 11.694 5.087 54 HZ1 LYS 5 HZ1 LYS 5 5.418 13.488 4.155 55 HZ2 LYS 5 HZ2 LYS 5 5.645 11.867 4.568 56 HZ3 LYS 5 HZ3 LYS 5 5.131 12.969 5.739 57 H ILE 6 H ILE 6 -1.050 10.850 1.998 58 HA ILE 6 HA ILE 6 -2.449 11.345 4.565 59 HB ILE 6 HB ILE 6 -4.307 9.969 3.909 60 HG12 ILE 6 HG12 ILE 6 -2.832 9.294 1.318 61 HG13 ILE 6 HG13 ILE 6 -3.161 8.187 2.656 62 HG21 ILE 6 HG21 ILE 6 -3.644 11.814 1.580 63 HG22 ILE 6 HG22 ILE 6 -4.382 12.297 3.109 64 HG23 ILE 6 HG23 ILE 6 -5.259 11.232 2.010 65 HD11 ILE 6 HD11 ILE 6 -5.222 9.443 0.841 66 HD12 ILE 6 HD12 ILE 6 -5.564 8.367 2.199 67 HD13 ILE 6 HD13 ILE 6 -4.655 7.772 0.809 68 H HIS 7 H HIS 7 -1.310 10.349 6.136 69 HA HIS 7 HA HIS 7 -0.144 7.693 5.713 70 HB2 HIS 7 HB2 HIS 7 1.020 9.623 6.952 71 HB3 HIS 7 HB3 HIS 7 -0.115 9.355 8.268 72 HD1 HIS 7 HD1 HIS 7 0.506 7.572 9.927 73 HD2 HIS 7 HD2 HIS 7 2.802 7.372 6.475 74 HE1 HIS 7 HE1 HIS 7 2.313 5.923 10.437 75 HE2 HIS 7 HE2 HIS 7 3.783 5.927 8.408 76 H LEU 8 H LEU 8 -1.395 5.947 6.002 77 HA LEU 8 HA LEU 8 -3.744 5.994 7.813 78 HB2 LEU 8 HB2 LEU 8 -3.160 4.570 5.215 79 HB3 LEU 8 HB3 LEU 8 -4.309 3.856 6.330 80 HG LEU 8 HG LEU 8 -5.812 5.749 6.127 81 HD11 LEU 8 HD11 LEU 8 -3.771 7.075 4.336 82 HD12 LEU 8 HD12 LEU 8 -4.252 7.592 5.956 83 HD13 LEU 8 HD13 LEU 8 -5.418 7.641 4.635 84 HD21 LEU 8 HD21 LEU 8 -4.873 4.824 3.398 85 HD22 LEU 8 HD22 LEU 8 -6.446 5.542 3.768 86 HD23 LEU 8 HD23 LEU 8 -6.007 3.982 4.460 87 H GLU 9 H GLU 9 -3.526 4.767 9.715 88 HA GLU 9 HA GLU 9 -1.503 2.575 9.799 89 HB2 GLU 9 HB2 GLU 9 -2.761 4.004 12.181 90 HB3 GLU 9 HB3 GLU 9 -1.520 2.758 12.255 91 HG2 GLU 9 HG2 GLU 9 -0.236 4.650 12.542 92 HG3 GLU 9 HG3 GLU 9 -0.113 4.425 10.801 93 H TYR 10 H TYR 10 -2.286 0.573 9.596 94 HA TYR 10 HA TYR 10 -5.106 -0.055 10.235 95 HB2 TYR 10 HB2 TYR 10 -3.077 -1.632 8.589 96 HB3 TYR 10 HB3 TYR 10 -4.740 -2.124 8.868 97 HD1 TYR 10 HD2 TYR 10 -2.912 0.919 7.549 98 HD2 TYR 10 HD1 TYR 10 -6.189 -1.785 7.043 99 HE1 TYR 10 HE2 TYR 10 -3.536 2.061 5.473 100 HE2 TYR 10 HE1 TYR 10 -6.804 -0.641 4.956 101 HH TYR 10 HH TYR 10 -4.763 1.559 3.378 102 H LEU 11 H LEU 11 -5.588 -1.366 11.924 103 HA LEU 11 HA LEU 11 -3.487 -2.730 13.437 104 HB2 LEU 11 HB2 LEU 11 -5.146 -3.138 15.178 105 HB3 LEU 11 HB3 LEU 11 -5.090 -1.441 14.759 106 HG LEU 11 HG LEU 11 -7.290 -3.303 13.756 107 HD11 LEU 11 HD11 LEU 11 -7.380 -1.530 16.215 108 HD12 LEU 11 HD12 LEU 11 -7.359 -3.296 16.197 109 HD13 LEU 11 HD13 LEU 11 -8.739 -2.429 15.529 110 HD21 LEU 11 HD21 LEU 11 -7.060 -1.238 12.443 111 HD22 LEU 11 HD22 LEU 11 -7.201 -0.267 13.909 112 HD23 LEU 11 HD23 LEU 11 -8.570 -1.238 13.354 113 H LEU 12 H LEU 12 -2.871 -4.645 12.585 114 HA LEU 12 HA LEU 12 -4.952 -6.670 11.936 115 HB2 LEU 12 HB2 LEU 12 -3.725 -5.491 9.904 116 HB3 LEU 12 HB3 LEU 12 -2.379 -6.527 10.325 117 HG LEU 12 HG LEU 12 -3.767 -7.406 8.442 118 HD11 LEU 12 HD11 LEU 12 -2.466 -9.004 9.746 119 HD12 LEU 12 HD12 LEU 12 -3.963 -9.722 9.156 120 HD13 LEU 12 HD13 LEU 12 -3.827 -9.239 10.850 121 HD21 LEU 12 HD21 LEU 12 -5.953 -6.554 9.175 122 HD22 LEU 12 HD22 LEU 12 -5.984 -7.741 10.484 123 HD23 LEU 12 HD23 LEU 12 -6.015 -8.276 8.801 124 H ASN 13 H ASN 13 -4.701 -8.525 13.021 125 HA ASN 13 HA ASN 13 -2.082 -9.531 13.894 126 HB2 ASN 13 HB2 ASN 13 -2.989 -9.869 16.272 127 HB3 ASN 13 HB3 ASN 13 -2.586 -8.218 15.830 128 HD21 ASN 13 HD21 ASN 13 -4.257 -6.707 15.535 129 HD22 ASN 13 HD22 ASN 13 -5.856 -6.994 16.116 130 H ALA 14 H ALA 14 -2.043 -11.716 14.409 131 HA ALA 14 HA ALA 14 -2.497 -13.907 14.432 132 HB1 ALA 14 HB1 ALA 14 -4.746 -14.794 14.814 133 HB2 ALA 14 HB2 ALA 14 -5.440 -13.210 14.450 134 HB3 ALA 14 HB3 ALA 14 -4.421 -13.417 15.873 135 H THR 15 H THR 15 -4.787 -12.346 12.216 136 HA THR 15 HA THR 15 -5.371 -14.289 10.388 137 HB THR 15 HB THR 15 -4.999 -11.317 9.818 138 HG1 THR 15 HG1 THR 15 -6.402 -11.923 11.640 139 HG21 THR 15 HG21 THR 15 -6.762 -13.364 8.412 140 HG22 THR 15 HG22 THR 15 -5.323 -12.599 7.732 141 HG23 THR 15 HG23 THR 15 -6.750 -11.624 8.091 142 H SER 16 H SER 16 -2.929 -11.734 9.712 143 HA SER 16 HA SER 16 -1.192 -13.606 8.273 144 HB2 SER 16 HB2 SER 16 -2.371 -11.140 6.909 145 HB3 SER 16 HB3 SER 16 -1.138 -12.204 6.220 146 HG SER 16 HG SER 16 -3.001 -12.943 5.391 147 H LYS 17 H LYS 17 0.814 -12.466 7.496 148 HA LYS 17 HA LYS 17 1.730 -10.514 9.534 149 HB2 LYS 17 HB2 LYS 17 3.378 -12.585 8.015 150 HB3 LYS 17 HB3 LYS 17 3.963 -11.528 9.301 151 HG2 LYS 17 HG2 LYS 17 1.927 -13.770 9.571 152 HG3 LYS 17 HG3 LYS 17 3.585 -13.771 10.183 153 HD2 LYS 17 HD2 LYS 17 3.070 -12.119 11.861 154 HD3 LYS 17 HD3 LYS 17 1.523 -11.724 11.110 155 HE2 LYS 17 HE2 LYS 17 1.184 -13.054 13.131 156 HE3 LYS 17 HE3 LYS 17 0.654 -13.954 11.711 157 HZ1 LYS 17 HZ1 LYS 17 2.711 -15.195 11.776 158 HZ2 LYS 17 HZ2 LYS 17 1.902 -15.326 13.255 159 HZ3 LYS 17 HZ3 LYS 17 3.245 -14.306 13.111 160 H ASN 18 H ASN 18 4.263 -10.061 8.084 161 HA ASN 18 HA ASN 18 3.769 -7.657 6.866 162 HB2 ASN 18 HB2 ASN 18 6.062 -7.833 5.895 163 HB3 ASN 18 HB3 ASN 18 5.999 -8.310 7.591 164 HD21 ASN 18 HD21 ASN 18 7.938 -9.023 5.481 165 HD22 ASN 18 HD22 ASN 18 7.957 -10.747 5.429 166 H ILE 19 H ILE 19 3.616 -10.798 5.301 167 HA ILE 19 HA ILE 19 3.900 -10.204 2.596 168 HB ILE 19 HB ILE 19 2.235 -12.362 3.937 169 HG12 ILE 19 HG12 ILE 19 4.638 -12.423 4.536 170 HG13 ILE 19 HG13 ILE 19 4.234 -13.808 3.526 171 HG21 ILE 19 HG21 ILE 19 3.130 -12.271 1.030 172 HG22 ILE 19 HG22 ILE 19 1.467 -12.196 1.616 173 HG23 ILE 19 HG23 ILE 19 2.409 -13.673 1.828 174 HD11 ILE 19 HD11 ILE 19 5.222 -12.657 1.585 175 HD12 ILE 19 HD12 ILE 19 6.379 -12.862 2.898 176 HD13 ILE 19 HD13 ILE 19 5.635 -11.288 2.618 177 H LEU 20 H LEU 20 1.185 -9.376 4.597 178 HA LEU 20 HA LEU 20 -1.060 -9.201 3.087 179 HB2 LEU 20 HB2 LEU 20 0.160 -7.071 4.884 180 HB3 LEU 20 HB3 LEU 20 -1.461 -6.906 4.231 181 HG LEU 20 HG LEU 20 -0.680 -9.273 5.968 182 HD11 LEU 20 HD11 LEU 20 -0.202 -7.228 7.242 183 HD12 LEU 20 HD12 LEU 20 -1.593 -8.088 7.902 184 HD13 LEU 20 HD13 LEU 20 -1.839 -6.635 6.929 185 HD21 LEU 20 HD21 LEU 20 -3.381 -8.033 5.313 186 HD22 LEU 20 HD22 LEU 20 -3.106 -9.432 6.355 187 HD23 LEU 20 HD23 LEU 20 -2.735 -9.532 4.637 188 H TRP 21 H TRP 21 1.206 -6.434 3.207 189 HA TRP 21 HA TRP 21 0.567 -5.710 0.424 190 HB2 TRP 21 HB2 TRP 21 1.806 -4.137 2.696 191 HB3 TRP 21 HB3 TRP 21 1.784 -3.550 1.037 192 HD1 TRP 21 HD1 TRP 21 -0.715 -4.462 3.880 193 HE1 TRP 21 HE1 TRP 21 -2.848 -3.075 3.513 194 HE3 TRP 21 HE3 TRP 21 0.435 -2.354 -0.633 195 HZ2 TRP 21 HZ2 TRP 21 -3.909 -1.330 1.579 196 HZ3 TRP 21 HZ3 TRP 21 -1.196 -0.833 -1.681 197 HH2 TRP 21 HH2 TRP 21 -3.329 -0.329 -0.598 198 H SER 22 H SER 22 3.252 -6.877 2.440 199 HA SER 22 HA SER 22 5.443 -6.150 0.824 200 HB2 SER 22 HB2 SER 22 5.741 -7.076 3.096 201 HB3 SER 22 HB3 SER 22 5.224 -8.659 2.534 202 HG SER 22 HG SER 22 7.637 -7.340 2.179 203 H ALA 23 H ALA 23 3.020 -8.494 0.174 204 HA ALA 23 HA ALA 23 4.045 -10.203 -1.740 205 HB1 ALA 23 HB1 ALA 23 1.724 -10.217 -0.911 206 HB2 ALA 23 HB2 ALA 23 1.764 -10.219 -2.675 207 HB3 ALA 23 HB3 ALA 23 1.392 -8.730 -1.801 208 H ILE 24 H ILE 24 3.381 -6.742 -2.085 209 HA ILE 24 HA ILE 24 3.403 -6.548 -4.904 210 HB ILE 24 HB ILE 24 3.630 -4.112 -4.629 211 HG12 ILE 24 HG12 ILE 24 4.319 -4.791 -1.735 212 HG13 ILE 24 HG13 ILE 24 5.281 -3.874 -2.881 213 HG21 ILE 24 HG21 ILE 24 1.598 -3.711 -3.292 214 HG22 ILE 24 HG22 ILE 24 1.726 -5.325 -2.592 215 HG23 ILE 24 HG23 ILE 24 1.416 -5.134 -4.321 216 HD11 ILE 24 HD11 ILE 24 4.390 -2.404 -1.220 217 HD12 ILE 24 HD12 ILE 24 2.751 -2.984 -1.496 218 HD13 ILE 24 HD13 ILE 24 3.581 -2.053 -2.750 219 H SER 25 H SER 25 6.045 -6.851 -2.676 220 HA SER 25 HA SER 25 8.127 -5.597 -4.137 221 HB2 SER 25 HB2 SER 25 9.654 -6.729 -2.661 222 HB3 SER 25 HB3 SER 25 8.215 -6.367 -1.714 223 HG SER 25 HG SER 25 7.896 -8.427 -1.432 224 H THR 26 H THR 26 6.668 -8.775 -4.380 225 HA THR 26 HA THR 26 8.515 -9.589 -6.549 226 HB THR 26 HB THR 26 7.654 -11.920 -6.151 227 HG1 THR 26 HG1 THR 26 6.569 -11.136 -3.682 228 HG21 THR 26 HG21 THR 26 9.753 -11.219 -5.081 229 HG22 THR 26 HG22 THR 26 8.863 -12.325 -4.034 230 HG23 THR 26 HG23 THR 26 8.856 -10.593 -3.689 231 HA PRO 27 HA PRO 27 5.227 -9.409 -9.683 232 HB2 PRO 27 HB2 PRO 27 5.884 -11.834 -10.999 233 HB3 PRO 27 HB3 PRO 27 6.572 -10.245 -11.359 234 HG2 PRO 27 HG2 PRO 27 7.658 -12.421 -9.562 235 HG3 PRO 27 HG3 PRO 27 8.521 -11.419 -10.753 236 HD2 PRO 27 HD2 PRO 27 8.724 -10.840 -8.182 237 HD3 PRO 27 HD3 PRO 27 8.476 -9.512 -9.340 238 H THR 28 H THR 28 5.803 -12.765 -8.468 239 HA THR 28 HA THR 28 3.322 -13.879 -8.785 240 HB THR 28 HB THR 28 5.240 -15.225 -8.098 241 HG1 THR 28 HG1 THR 28 4.173 -16.557 -6.583 242 HG21 THR 28 HG21 THR 28 6.079 -15.276 -5.777 243 HG22 THR 28 HG22 THR 28 4.997 -13.950 -5.345 244 HG23 THR 28 HG23 THR 28 6.311 -13.675 -6.493 245 H GLY 29 H GLY 29 4.336 -11.867 -6.023 246 HA2 GLY 29 HA2 GLY 29 1.924 -12.265 -4.491 247 HA3 GLY 29 HA3 GLY 29 3.207 -11.113 -4.161 248 H LEU 30 H LEU 30 3.154 -9.623 -6.560 249 HA LEU 30 HA LEU 30 1.113 -7.741 -6.063 250 HB2 LEU 30 HB2 LEU 30 3.440 -7.864 -7.695 251 HB3 LEU 30 HB3 LEU 30 2.138 -7.510 -8.808 252 HG LEU 30 HG LEU 30 2.850 -5.863 -6.363 253 HD11 LEU 30 HD11 LEU 30 3.312 -5.246 -9.286 254 HD12 LEU 30 HD12 LEU 30 4.546 -5.647 -8.087 255 HD13 LEU 30 HD13 LEU 30 3.623 -4.154 -7.931 256 HD21 LEU 30 HD21 LEU 30 1.242 -4.201 -7.203 257 HD22 LEU 30 HD22 LEU 30 0.465 -5.722 -6.763 258 HD23 LEU 30 HD23 LEU 30 0.740 -5.332 -8.466 259 H GLU 31 H GLU 31 1.393 -10.078 -8.768 260 HA GLU 31 HA GLU 31 -1.019 -9.397 -10.092 261 HB2 GLU 31 HB2 GLU 31 -0.718 -11.504 -11.356 262 HB3 GLU 31 HB3 GLU 31 0.782 -10.592 -11.233 263 HG2 GLU 31 HG2 GLU 31 1.523 -12.098 -9.400 264 HG3 GLU 31 HG3 GLU 31 0.047 -13.047 -9.603 265 H ASP 32 H ASP 32 -0.487 -11.352 -7.285 266 HA ASP 32 HA ASP 32 -2.671 -13.085 -7.244 267 HB2 ASP 32 HB2 ASP 32 -0.903 -13.370 -5.659 268 HB3 ASP 32 HB3 ASP 32 -1.071 -11.729 -5.051 269 H TRP 33 H TRP 33 -2.589 -9.617 -6.542 270 HA TRP 33 HA TRP 33 -5.510 -9.561 -6.170 271 HB2 TRP 33 HB2 TRP 33 -5.352 -8.268 -4.079 272 HB3 TRP 33 HB3 TRP 33 -4.584 -9.842 -3.897 273 HD1 TRP 33 HD1 TRP 33 -1.688 -9.639 -4.391 274 HE1 TRP 33 HE1 TRP 33 -0.116 -7.905 -3.337 275 HE3 TRP 33 HE3 TRP 33 -5.148 -6.121 -3.073 276 HZ2 TRP 33 HZ2 TRP 33 -0.315 -5.383 -2.076 277 HZ3 TRP 33 HZ3 TRP 33 -4.382 -4.072 -1.940 278 HH2 TRP 33 HH2 TRP 33 -2.013 -3.719 -1.455 279 H PHE 34 H PHE 34 -3.182 -8.425 -8.003 280 HA PHE 34 HA PHE 34 -4.605 -5.923 -8.566 281 HB2 PHE 34 HB2 PHE 34 -2.608 -5.376 -7.055 282 HB3 PHE 34 HB3 PHE 34 -1.560 -5.934 -8.347 283 HD1 PHE 34 HD2 PHE 34 -4.171 -3.379 -7.519 284 HD2 PHE 34 HD1 PHE 34 -0.959 -4.444 -10.141 285 HE1 PHE 34 HE2 PHE 34 -4.231 -1.134 -8.522 286 HE2 PHE 34 HE1 PHE 34 -1.024 -2.195 -11.132 287 HZ PHE 34 HZ PHE 34 -2.666 -0.539 -10.330 288 H ALA 35 H ALA 35 -4.860 -5.610 -10.722 289 HA ALA 35 HA ALA 35 -4.964 -5.962 -12.950 290 HB1 ALA 35 HB1 ALA 35 -2.061 -6.835 -12.725 291 HB2 ALA 35 HB2 ALA 35 -2.619 -5.172 -12.920 292 HB3 ALA 35 HB3 ALA 35 -2.890 -6.349 -14.210 293 H ASP 36 H ASP 36 -4.533 -7.758 -14.790 294 HA ASP 36 HA ASP 36 -5.519 -10.319 -13.985 295 HB2 ASP 36 HB2 ASP 36 -4.086 -9.468 -16.544 296 HB3 ASP 36 HB3 ASP 36 -4.825 -11.052 -16.306 297 H LYS 37 H LYS 37 -2.333 -9.364 -15.258 298 HA LYS 37 HA LYS 37 -0.939 -10.973 -13.282 299 HB2 LYS 37 HB2 LYS 37 -1.387 -12.542 -15.255 300 HB3 LYS 37 HB3 LYS 37 -0.376 -11.484 -16.243 301 HG2 LYS 37 HG2 LYS 37 1.457 -11.866 -14.473 302 HG3 LYS 37 HG3 LYS 37 0.422 -13.151 -13.847 303 HD2 LYS 37 HD2 LYS 37 0.523 -14.220 -16.138 304 HD3 LYS 37 HD3 LYS 37 1.715 -12.993 -16.592 305 HE2 LYS 37 HE2 LYS 37 1.982 -15.158 -14.477 306 HE3 LYS 37 HE3 LYS 37 2.939 -14.956 -15.945 307 HZ1 LYS 37 HZ1 LYS 37 4.190 -14.243 -14.039 308 HZ2 LYS 37 HZ2 LYS 37 2.973 -13.177 -13.560 309 HZ3 LYS 37 HZ3 LYS 37 3.835 -12.890 -14.986 310 H VAL 38 H VAL 38 1.183 -10.246 -12.962 311 HA VAL 38 HA VAL 38 1.992 -7.834 -14.486 312 HB VAL 38 HB VAL 38 3.200 -7.051 -12.532 313 HG11 VAL 38 HG11 VAL 38 0.385 -7.897 -11.727 314 HG12 VAL 38 HG12 VAL 38 0.812 -6.453 -12.651 315 HG13 VAL 38 HG13 VAL 38 1.333 -6.607 -10.973 316 HG21 VAL 38 HG21 VAL 38 3.949 -9.191 -11.569 317 HG22 VAL 38 HG22 VAL 38 2.298 -9.563 -11.070 318 HG23 VAL 38 HG23 VAL 38 3.154 -8.198 -10.345 319 H VAL 39 H VAL 39 3.700 -8.104 -15.803 320 HA VAL 39 HA VAL 39 5.643 -10.284 -15.410 321 HB VAL 39 HB VAL 39 5.441 -8.268 -17.702 322 HG11 VAL 39 HG11 VAL 39 6.993 -10.894 -17.557 323 HG12 VAL 39 HG12 VAL 39 7.698 -9.276 -17.530 324 HG13 VAL 39 HG13 VAL 39 6.868 -9.851 -18.977 325 HG21 VAL 39 HG21 VAL 39 3.393 -9.620 -17.595 326 HG22 VAL 39 HG22 VAL 39 4.349 -11.105 -17.573 327 HG23 VAL 39 HG23 VAL 39 4.355 -10.073 -19.007 328 H SER 40 H SER 40 7.425 -9.849 -14.197 329 HA SER 40 HA SER 40 8.374 -7.058 -13.876 330 HB2 SER 40 HB2 SER 40 7.885 -8.284 -11.783 331 HB3 SER 40 HB3 SER 40 9.032 -9.545 -12.238 332 HG SER 40 HG SER 40 10.473 -8.350 -11.292 333 H ASP 41 H ASP 41 10.621 -6.604 -13.921 334 HA ASP 41 HA ASP 41 12.270 -8.329 -15.686 335 HB2 ASP 41 HB2 ASP 41 11.687 -6.227 -16.778 336 HB3 ASP 41 HB3 ASP 41 12.164 -5.299 -15.361 337 H ASP 42 H ASP 42 12.862 -5.649 -13.390 338 HA ASP 42 HA ASP 42 14.275 -7.200 -11.445 339 HB2 ASP 42 HB2 ASP 42 16.014 -7.118 -13.265 340 HB3 ASP 42 HB3 ASP 42 15.977 -5.359 -13.202 341 H LYS 43 H LYS 43 14.626 -3.888 -12.762 342 HA LYS 43 HA LYS 43 14.048 -2.666 -10.146 343 HB2 LYS 43 HB2 LYS 43 14.885 -0.594 -11.152 344 HB3 LYS 43 HB3 LYS 43 16.027 -1.900 -11.462 345 HG2 LYS 43 HG2 LYS 43 15.317 -2.093 -13.757 346 HG3 LYS 43 HG3 LYS 43 13.952 -1.005 -13.488 347 HD2 LYS 43 HD2 LYS 43 15.538 0.862 -13.068 348 HD3 LYS 43 HD3 LYS 43 16.896 -0.228 -13.382 349 HE2 LYS 43 HE2 LYS 43 16.158 -0.530 -15.696 350 HE3 LYS 43 HE3 LYS 43 14.705 0.426 -15.391 351 HZ1 LYS 43 HZ1 LYS 43 16.397 1.700 -16.528 352 HZ2 LYS 43 HZ2 LYS 43 17.492 1.439 -15.268 353 HZ3 LYS 43 HZ3 LYS 43 16.095 2.350 -14.998 354 H THR 44 H THR 44 12.126 -3.739 -12.560 355 HA THR 44 HA THR 44 10.095 -1.633 -12.312 356 HB THR 44 HB THR 44 11.187 -2.529 -15.022 357 HG1 THR 44 HG1 THR 44 11.654 -0.302 -13.417 358 HG21 THR 44 HG21 THR 44 9.624 -0.887 -16.003 359 HG22 THR 44 HG22 THR 44 8.955 -0.563 -14.402 360 HG23 THR 44 HG23 THR 44 8.749 -2.156 -15.138 361 H VAL 45 H VAL 45 8.060 -2.464 -12.273 362 HA VAL 45 HA VAL 45 7.556 -5.254 -13.179 363 HB VAL 45 HB VAL 45 6.005 -3.683 -11.059 364 HG11 VAL 45 HG11 VAL 45 4.921 -5.873 -10.553 365 HG12 VAL 45 HG12 VAL 45 5.780 -6.601 -11.912 366 HG13 VAL 45 HG13 VAL 45 4.587 -5.332 -12.202 367 HG21 VAL 45 HG21 VAL 45 7.038 -5.203 -9.384 368 HG22 VAL 45 HG22 VAL 45 8.256 -4.231 -10.214 369 HG23 VAL 45 HG23 VAL 45 8.032 -5.926 -10.655 370 H THR 46 H THR 46 6.041 -5.544 -14.753 371 HA THR 46 HA THR 46 4.596 -3.204 -15.864 372 HB THR 46 HB THR 46 5.259 -5.849 -17.251 373 HG1 THR 46 HG1 THR 46 7.195 -4.966 -17.191 374 HG21 THR 46 HG21 THR 46 4.721 -4.638 -19.343 375 HG22 THR 46 HG22 THR 46 4.299 -3.196 -18.415 376 HG23 THR 46 HG23 THR 46 3.322 -4.660 -18.268 377 H PHE 47 H PHE 47 2.514 -3.173 -15.209 378 HA PHE 47 HA PHE 47 1.011 -5.529 -14.435 379 HB2 PHE 47 HB2 PHE 47 -0.118 -2.715 -14.681 380 HB3 PHE 47 HB3 PHE 47 -0.636 -4.018 -13.612 381 HD1 PHE 47 HD1 PHE 47 0.766 -4.599 -11.620 382 HD2 PHE 47 HD2 PHE 47 1.627 -1.198 -14.042 383 HE1 PHE 47 HE1 PHE 47 2.146 -3.657 -9.821 384 HE2 PHE 47 HE2 PHE 47 3.015 -0.266 -12.242 385 HZ PHE 47 HZ PHE 47 3.280 -1.494 -10.123 386 H CYS 48 H CYS 48 0.129 -6.727 -16.030 387 HA CYS 48 HA CYS 48 -0.792 -5.516 -18.556 388 HB2 CYS 48 HB2 CYS 48 -0.517 -8.447 -17.766 389 HB3 CYS 48 HB3 CYS 48 -0.938 -7.853 -19.372 390 HG CYS 48 HG CYS 48 1.459 -7.367 -20.204 391 H TRP 49 H TRP 49 -2.834 -4.750 -18.474 392 HA TRP 49 HA TRP 49 -4.999 -6.304 -17.173 393 HB2 TRP 49 HB2 TRP 49 -5.005 -3.460 -18.297 394 HB3 TRP 49 HB3 TRP 49 -6.390 -4.249 -17.552 395 HD1 TRP 49 HD1 TRP 49 -6.150 -4.776 -14.827 396 HE1 TRP 49 HE1 TRP 49 -4.918 -3.428 -13.021 397 HE3 TRP 49 HE3 TRP 49 -3.025 -2.051 -17.829 398 HZ2 TRP 49 HZ2 TRP 49 -2.891 -1.469 -12.872 399 HZ3 TRP 49 HZ3 TRP 49 -1.471 -0.456 -16.777 400 HH2 TRP 49 HH2 TRP 49 -1.404 -0.168 -14.347 401 H GLY 50 H GLY 50 -4.457 -4.458 -20.193 402 HA2 GLY 50 HA2 GLY 50 -5.913 -6.541 -21.748 403 HA3 GLY 50 HA3 GLY 50 -6.055 -4.819 -22.081 404 H LYS 51 H LYS 51 -5.416 -6.191 -24.211 405 HA LYS 51 HA LYS 51 -2.682 -6.810 -24.672 406 HB2 LYS 51 HB2 LYS 51 -3.285 -6.822 -27.081 407 HB3 LYS 51 HB3 LYS 51 -4.448 -7.713 -26.106 408 HG2 LYS 51 HG2 LYS 51 -6.007 -5.778 -26.209 409 HG3 LYS 51 HG3 LYS 51 -4.843 -4.903 -27.211 410 HD2 LYS 51 HD2 LYS 51 -6.222 -7.519 -27.944 411 HD3 LYS 51 HD3 LYS 51 -6.647 -5.924 -28.568 412 HE2 LYS 51 HE2 LYS 51 -4.451 -5.758 -29.677 413 HE3 LYS 51 HE3 LYS 51 -3.975 -7.314 -28.994 414 HZ1 LYS 51 HZ1 LYS 51 -4.685 -7.545 -31.270 415 HZ2 LYS 51 HZ2 LYS 51 -6.190 -6.864 -30.910 416 HZ3 LYS 51 HZ3 LYS 51 -5.760 -8.358 -30.246 417 H THR 52 H THR 52 -4.520 -3.824 -25.053 418 HA THR 52 HA THR 52 -2.226 -2.307 -26.092 419 HB THR 52 HB THR 52 -5.076 -1.363 -25.504 420 HG1 THR 52 HG1 THR 52 -3.869 -2.382 -27.875 421 HG21 THR 52 HG21 THR 52 -2.898 -0.063 -27.191 422 HG22 THR 52 HG22 THR 52 -3.446 0.506 -25.612 423 HG23 THR 52 HG23 THR 52 -4.549 0.533 -26.988 424 H GLU 53 H GLU 53 -4.119 -2.759 -23.148 425 HA GLU 53 HA GLU 53 -2.979 -0.380 -21.850 426 HB2 GLU 53 HB2 GLU 53 -5.419 -0.628 -21.726 427 HB3 GLU 53 HB3 GLU 53 -5.247 -2.210 -20.965 428 HG2 GLU 53 HG2 GLU 53 -4.186 -1.160 -19.003 429 HG3 GLU 53 HG3 GLU 53 -4.311 0.426 -19.777 430 H GLN 54 H GLN 54 -0.938 -0.999 -21.342 431 HA GLN 54 HA GLN 54 -0.668 -2.663 -18.953 432 HB2 GLN 54 HB2 GLN 54 1.345 -3.825 -19.851 433 HB3 GLN 54 HB3 GLN 54 -0.117 -4.227 -20.749 434 HG2 GLN 54 HG2 GLN 54 0.541 -2.766 -22.585 435 HG3 GLN 54 HG3 GLN 54 1.947 -2.207 -21.688 436 HE21 GLN 54 HE21 GLN 54 3.723 -3.591 -21.462 437 HE22 GLN 54 HE22 GLN 54 3.928 -4.984 -22.459 438 H ARG 55 H ARG 55 0.481 -1.561 -17.453 439 HA ARG 55 HA ARG 55 2.174 0.721 -18.323 440 HB2 ARG 55 HB2 ARG 55 0.037 0.586 -16.202 441 HB3 ARG 55 HB3 ARG 55 1.471 1.526 -15.816 442 HG2 ARG 55 HG2 ARG 55 -0.201 3.004 -16.698 443 HG3 ARG 55 HG3 ARG 55 1.128 2.892 -17.847 444 HD2 ARG 55 HD2 ARG 55 -0.295 1.190 -19.121 445 HD3 ARG 55 HD3 ARG 55 -1.635 1.655 -18.062 446 HE ARG 55 HE ARG 55 -0.283 3.823 -19.468 447 HH11 ARG 55 HH11 ARG 55 -3.016 1.691 -19.446 448 HH12 ARG 55 HH12 ARG 55 -3.882 2.631 -20.605 449 HH21 ARG 55 HH21 ARG 55 -1.404 4.991 -20.943 450 HH22 ARG 55 HH22 ARG 55 -2.979 4.484 -21.434 451 H GLN 56 H GLN 56 3.953 1.241 -16.935 452 HA GLN 56 HA GLN 56 4.985 -1.070 -15.378 453 HB2 GLN 56 HB2 GLN 56 6.568 0.972 -17.006 454 HB3 GLN 56 HB3 GLN 56 7.248 -0.363 -16.074 455 HG2 GLN 56 HG2 GLN 56 5.950 -1.946 -17.563 456 HG3 GLN 56 HG3 GLN 56 5.522 -0.554 -18.557 457 HE21 GLN 56 HE21 GLN 56 8.095 -2.708 -17.601 458 HE22 GLN 56 HE22 GLN 56 9.221 -2.224 -18.816 459 H ALA 57 H ALA 57 6.163 -0.624 -13.493 460 HA ALA 57 HA ALA 57 6.281 2.167 -12.508 461 HB1 ALA 57 HB1 ALA 57 5.578 1.441 -10.259 462 HB2 ALA 57 HB2 ALA 57 5.333 -0.209 -10.848 463 HB3 ALA 57 HB3 ALA 57 4.317 1.106 -11.448 464 H GLY 58 H GLY 58 8.314 2.655 -12.016 465 HA2 GLY 58 HA2 GLY 58 10.407 0.689 -11.644 466 HA3 GLY 58 HA3 GLY 58 10.571 2.434 -11.601 467 H ILE 59 H ILE 59 11.037 -0.169 -9.725 468 HA ILE 59 HA ILE 59 10.065 0.638 -7.172 469 HB ILE 59 HB ILE 59 12.438 -1.170 -7.875 470 HG12 ILE 59 HG12 ILE 59 10.897 -3.006 -6.944 471 HG13 ILE 59 HG13 ILE 59 9.601 -1.822 -6.932 472 HG21 ILE 59 HG21 ILE 59 12.487 -1.873 -5.490 473 HG22 ILE 59 HG22 ILE 59 11.262 -0.659 -5.109 474 HG23 ILE 59 HG23 ILE 59 12.858 -0.154 -5.671 475 HD11 ILE 59 HD11 ILE 59 11.067 -2.829 -9.369 476 HD12 ILE 59 HD12 ILE 59 9.754 -1.647 -9.368 477 HD13 ILE 59 HD13 ILE 59 9.453 -3.301 -8.835 478 H VAL 60 H VAL 60 10.693 2.400 -6.047 479 HA VAL 60 HA VAL 60 13.039 3.941 -6.806 480 HB VAL 60 HB VAL 60 10.970 4.462 -4.627 481 HG11 VAL 60 HG11 VAL 60 13.035 5.716 -4.180 482 HG12 VAL 60 HG12 VAL 60 11.750 6.818 -4.676 483 HG13 VAL 60 HG13 VAL 60 13.017 6.371 -5.821 484 HG21 VAL 60 HG21 VAL 60 9.901 4.388 -6.845 485 HG22 VAL 60 HG22 VAL 60 11.066 5.563 -7.464 486 HG23 VAL 60 HG23 VAL 60 9.909 6.039 -6.218 487 H ALA 61 H ALA 61 11.851 2.266 -3.867 488 HA ALA 61 HA ALA 61 14.464 1.347 -3.125 489 HB1 ALA 61 HB1 ALA 61 14.693 2.483 -0.965 490 HB2 ALA 61 HB2 ALA 61 13.216 3.407 -1.268 491 HB3 ALA 61 HB3 ALA 61 14.641 3.666 -2.274 492 H ILE 62 H ILE 62 14.458 -0.033 -1.243 493 HA ILE 62 HA ILE 62 12.065 -0.757 0.165 494 HB ILE 62 HB ILE 62 11.491 -1.937 -1.898 495 HG12 ILE 62 HG12 ILE 62 12.446 -3.894 0.251 496 HG13 ILE 62 HG13 ILE 62 10.877 -3.103 0.181 497 HG21 ILE 62 HG21 ILE 62 12.904 -3.679 -2.915 498 HG22 ILE 62 HG22 ILE 62 14.184 -3.332 -1.749 499 HG23 ILE 62 HG23 ILE 62 13.704 -2.104 -2.923 500 HD11 ILE 62 HD11 ILE 62 10.346 -4.372 -1.841 501 HD12 ILE 62 HD12 ILE 62 10.719 -5.409 -0.467 502 HD13 ILE 62 HD13 ILE 62 11.915 -5.177 -1.742 503 H ARG 63 H ARG 63 12.474 -2.205 1.907 504 HA ARG 63 HA ARG 63 14.988 -3.586 2.208 505 HB2 ARG 63 HB2 ARG 63 15.662 -1.348 3.014 506 HB3 ARG 63 HB3 ARG 63 14.344 -1.351 4.182 507 HG2 ARG 63 HG2 ARG 63 15.379 -3.265 5.354 508 HG3 ARG 63 HG3 ARG 63 16.692 -3.288 4.170 509 HD2 ARG 63 HD2 ARG 63 16.046 -0.957 6.016 510 HD3 ARG 63 HD3 ARG 63 17.307 -2.161 6.305 511 HE ARG 63 HE ARG 63 17.855 -1.120 3.810 512 HH11 ARG 63 HH11 ARG 63 17.568 0.216 6.993 513 HH12 ARG 63 HH12 ARG 63 18.744 1.446 6.688 514 HH21 ARG 63 HH21 ARG 63 19.377 0.432 3.465 515 HH22 ARG 63 HH22 ARG 63 19.763 1.560 4.713 516 H ALA 64 H ALA 64 14.052 -5.488 2.573 517 HA ALA 64 HA ALA 64 12.916 -7.209 3.453 518 HB1 ALA 64 HB1 ALA 64 12.796 -7.374 5.895 519 HB2 ALA 64 HB2 ALA 64 13.099 -5.641 6.040 520 HB3 ALA 64 HB3 ALA 64 14.351 -6.702 5.389 521 H TYR 65 H TYR 65 11.306 -4.993 5.712 522 HA TYR 65 HA TYR 65 8.791 -4.978 4.207 523 HB2 TYR 65 HB2 TYR 65 7.467 -6.023 5.902 524 HB3 TYR 65 HB3 TYR 65 8.837 -7.088 5.660 525 HD1 TYR 65 HD2 TYR 65 10.941 -6.402 7.395 526 HD2 TYR 65 HD1 TYR 65 6.784 -5.804 8.114 527 HE1 TYR 65 HE2 TYR 65 11.357 -6.371 9.824 528 HE2 TYR 65 HE1 TYR 65 7.177 -5.759 10.512 529 HH TYR 65 HH TYR 65 10.287 -5.508 11.885 530 H SER 66 H SER 66 11.043 -3.368 5.983 531 HA SER 66 HA SER 66 9.342 -1.699 7.651 532 HB2 SER 66 HB2 SER 66 12.352 -1.633 7.177 533 HB3 SER 66 HB3 SER 66 11.491 -0.657 8.366 534 HG SER 66 HG SER 66 12.445 -3.061 8.705 535 H PHE 67 H PHE 67 10.060 -1.607 4.402 536 HA PHE 67 HA PHE 67 8.521 0.562 3.855 537 HB2 PHE 67 HB2 PHE 67 10.014 2.360 3.012 538 HB3 PHE 67 HB3 PHE 67 10.155 2.143 4.745 539 HD1 PHE 67 HD1 PHE 67 11.906 1.732 1.498 540 HD2 PHE 67 HD2 PHE 67 12.268 1.444 5.751 541 HE1 PHE 67 HE1 PHE 67 14.346 1.650 1.294 542 HE2 PHE 67 HE2 PHE 67 14.714 1.361 5.533 543 HZ PHE 67 HZ PHE 67 15.752 1.468 3.303 544 H ILE 68 H ILE 68 7.937 0.588 1.755 545 HA ILE 68 HA ILE 68 9.805 -0.056 -0.389 546 HB ILE 68 HB ILE 68 8.811 -2.278 0.153 547 HG12 ILE 68 HG12 ILE 68 7.864 -1.152 -2.528 548 HG13 ILE 68 HG13 ILE 68 9.456 -1.828 -2.189 549 HG21 ILE 68 HG21 ILE 68 6.670 -1.565 1.101 550 HG22 ILE 68 HG22 ILE 68 6.413 -2.751 -0.178 551 HG23 ILE 68 HG23 ILE 68 6.112 -1.039 -0.490 552 HD11 ILE 68 HD11 ILE 68 6.859 -3.349 -2.151 553 HD12 ILE 68 HD12 ILE 68 8.462 -4.015 -1.830 554 HD13 ILE 68 HD13 ILE 68 8.076 -3.373 -3.424 555 H ARG 69 H ARG 69 9.232 0.995 -2.370 556 HA ARG 69 HA ARG 69 6.617 2.276 -2.609 557 HB2 ARG 69 HB2 ARG 69 7.549 4.560 -2.982 558 HB3 ARG 69 HB3 ARG 69 7.754 3.988 -1.336 559 HG2 ARG 69 HG2 ARG 69 10.013 3.715 -3.317 560 HG3 ARG 69 HG3 ARG 69 9.708 5.268 -2.541 561 HD2 ARG 69 HD2 ARG 69 10.239 2.674 -1.048 562 HD3 ARG 69 HD3 ARG 69 11.478 3.866 -1.450 563 HE ARG 69 HE ARG 69 9.179 4.783 0.119 564 HH11 ARG 69 HH11 ARG 69 12.549 3.974 0.084 565 HH12 ARG 69 HH12 ARG 69 12.820 4.617 1.662 566 HH21 ARG 69 HH21 ARG 69 9.583 5.595 2.136 567 HH22 ARG 69 HH22 ARG 69 11.172 5.506 2.798 568 H PHE 70 H PHE 70 5.933 2.636 -4.651 569 HA PHE 70 HA PHE 70 7.758 2.093 -6.947 570 HB2 PHE 70 HB2 PHE 70 4.769 1.520 -6.705 571 HB3 PHE 70 HB3 PHE 70 5.706 1.311 -8.176 572 HD1 PHE 70 HD2 PHE 70 5.290 0.059 -4.688 573 HD2 PHE 70 HD1 PHE 70 6.901 -0.725 -8.577 574 HE1 PHE 70 HE2 PHE 70 5.777 -2.250 -4.033 575 HE2 PHE 70 HE1 PHE 70 7.368 -3.044 -7.902 576 HZ PHE 70 HZ PHE 70 6.808 -3.801 -5.632 577 H HIS 71 H HIS 71 7.998 3.810 -8.324 578 HA HIS 71 HA HIS 71 5.831 5.830 -8.557 579 HB2 HIS 71 HB2 HIS 71 8.092 6.744 -8.005 580 HB3 HIS 71 HB3 HIS 71 8.739 6.033 -9.478 581 HD1 HIS 71 HD1 HIS 71 8.202 7.231 -11.705 582 HD2 HIS 71 HD2 HIS 71 6.493 9.054 -8.387 583 HE1 HIS 71 HE1 HIS 71 7.322 9.430 -12.525 584 HE2 HIS 71 HE2 HIS 71 6.084 10.389 -10.559 585 H TRP 72 H TRP 72 4.667 5.896 -10.423 586 HA TRP 72 HA TRP 72 4.895 3.808 -12.363 587 HB2 TRP 72 HB2 TRP 72 3.182 6.332 -12.422 588 HB3 TRP 72 HB3 TRP 72 3.026 4.988 -13.548 589 HD1 TRP 72 HD1 TRP 72 2.493 5.782 -9.789 590 HE1 TRP 72 HE1 TRP 72 0.724 4.172 -8.877 591 HE3 TRP 72 HE3 TRP 72 1.886 2.787 -13.904 592 HZ2 TRP 72 HZ2 TRP 72 -0.746 1.940 -9.746 593 HZ3 TRP 72 HZ3 TRP 72 0.265 0.931 -13.774 594 HH2 TRP 72 HH2 TRP 72 -1.026 0.516 -11.734 595 H LEU 73 H LEU 73 5.969 3.757 -14.277 596 HA LEU 73 HA LEU 73 7.522 5.969 -15.278 597 HB2 LEU 73 HB2 LEU 73 6.858 3.298 -16.582 598 HB3 LEU 73 HB3 LEU 73 8.082 4.432 -17.147 599 HG LEU 73 HG LEU 73 8.140 2.806 -14.567 600 HD11 LEU 73 HD11 LEU 73 8.716 1.525 -16.569 601 HD12 LEU 73 HD12 LEU 73 10.119 1.743 -15.528 602 HD13 LEU 73 HD13 LEU 73 9.956 2.711 -16.997 603 HD21 LEU 73 HD21 LEU 73 10.149 4.899 -15.486 604 HD22 LEU 73 HD22 LEU 73 10.357 3.801 -14.118 605 HD23 LEU 73 HD23 LEU 73 9.080 5.012 -14.083 606 H ASP 74 H ASP 74 4.253 5.069 -15.598 607 HA ASP 74 HA ASP 74 3.710 6.537 -18.054 608 HB2 ASP 74 HB2 ASP 74 2.442 4.443 -17.102 609 HB3 ASP 74 HB3 ASP 74 1.642 5.590 -16.034 610 H ASP 75 H ASP 75 4.419 7.397 -14.903 611 HA ASP 75 HA ASP 75 3.053 10.022 -15.069 612 HB2 ASP 75 HB2 ASP 75 2.284 8.782 -13.105 613 HB3 ASP 75 HB3 ASP 75 3.942 8.411 -12.633 614 H GLU 76 H GLU 76 4.312 11.875 -14.349 615 HA GLU 76 HA GLU 76 7.266 11.587 -14.621 616 HB2 GLU 76 HB2 GLU 76 7.250 13.732 -15.877 617 HB3 GLU 76 HB3 GLU 76 6.323 12.477 -16.691 618 HG2 GLU 76 HG2 GLU 76 4.226 13.479 -15.998 619 HG3 GLU 76 HG3 GLU 76 5.068 14.646 -14.980 620 H ASN 77 H ASN 77 5.136 12.180 -12.297 621 HA ASN 77 HA ASN 77 6.140 14.803 -11.351 622 HB2 ASN 77 HB2 ASN 77 3.634 14.313 -11.711 623 HB3 ASN 77 HB3 ASN 77 3.715 13.283 -10.290 624 HD21 ASN 77 HD21 ASN 77 2.185 15.720 -10.801 625 HD22 ASN 77 HD22 ASN 77 2.604 16.816 -9.535 626 H GLU 78 H GLU 78 7.588 14.837 -9.710 627 HA GLU 78 HA GLU 78 8.324 12.563 -8.113 628 HB2 GLU 78 HB2 GLU 78 8.983 15.505 -7.677 629 HB3 GLU 78 HB3 GLU 78 9.765 14.145 -6.873 630 HG2 GLU 78 HG2 GLU 78 10.581 13.354 -9.085 631 HG3 GLU 78 HG3 GLU 78 9.867 14.779 -9.839 632 H ARG 79 H ARG 79 8.241 12.480 -5.745 633 HA ARG 79 HA ARG 79 7.239 12.395 -3.723 634 HB2 ARG 79 HB2 ARG 79 5.656 14.827 -4.625 635 HB3 ARG 79 HB3 ARG 79 5.585 14.148 -3.000 636 HG2 ARG 79 HG2 ARG 79 7.791 14.809 -2.483 637 HG3 ARG 79 HG3 ARG 79 8.234 15.014 -4.180 638 HD2 ARG 79 HD2 ARG 79 6.285 16.790 -2.663 639 HD3 ARG 79 HD3 ARG 79 7.976 17.182 -2.990 640 HE ARG 79 HE ARG 79 5.759 17.154 -4.900 641 HH11 ARG 79 HH11 ARG 79 9.187 17.570 -4.465 642 HH12 ARG 79 HH12 ARG 79 9.385 18.308 -6.014 643 HH21 ARG 79 HH21 ARG 79 6.062 18.077 -6.863 644 HH22 ARG 79 HH22 ARG 79 7.637 18.589 -7.360 645 H ASP 80 H ASP 80 4.846 12.941 -6.326 646 HA ASP 80 HA ASP 80 2.792 11.335 -5.249 647 HB2 ASP 80 HB2 ASP 80 3.359 12.197 -8.113 648 HB3 ASP 80 HB3 ASP 80 1.869 11.407 -7.592 649 H TYR 81 H TYR 81 3.685 9.410 -4.577 650 HA TYR 81 HA TYR 81 3.625 7.297 -6.568 651 HB2 TYR 81 HB2 TYR 81 5.713 6.196 -5.741 652 HB3 TYR 81 HB3 TYR 81 6.032 7.733 -6.519 653 HD1 TYR 81 HD1 TYR 81 5.682 6.161 -3.123 654 HD2 TYR 81 HD2 TYR 81 7.365 9.368 -5.389 655 HE1 TYR 81 HE1 TYR 81 6.997 6.836 -1.179 656 HE2 TYR 81 HE2 TYR 81 8.684 10.047 -3.427 657 HH TYR 81 HH TYR 81 8.888 8.040 -0.579 658 H PHE 82 H PHE 82 3.458 5.114 -5.496 659 HA PHE 82 HA PHE 82 1.913 5.289 -2.991 660 HB2 PHE 82 HB2 PHE 82 2.270 3.034 -5.013 661 HB3 PHE 82 HB3 PHE 82 1.351 2.861 -3.520 662 HD1 PHE 82 HD1 PHE 82 1.413 4.488 -6.855 663 HD2 PHE 82 HD2 PHE 82 -0.848 3.884 -3.268 664 HE1 PHE 82 HE1 PHE 82 -0.593 5.389 -7.956 665 HE2 PHE 82 HE2 PHE 82 -2.845 4.784 -4.383 666 HZ PHE 82 HZ PHE 82 -2.722 5.537 -6.725 667 H GLU 83 H GLU 83 3.154 5.237 -1.199 668 HA GLU 83 HA GLU 83 5.351 3.251 -0.965 669 HB2 GLU 83 HB2 GLU 83 6.023 5.611 -0.629 670 HB3 GLU 83 HB3 GLU 83 4.834 5.781 0.656 671 HG2 GLU 83 HG2 GLU 83 6.048 4.061 1.980 672 HG3 GLU 83 HG3 GLU 83 7.247 3.938 0.692 673 H ILE 84 H ILE 84 5.129 1.630 0.490 674 HA ILE 84 HA ILE 84 3.072 1.797 2.597 675 HB ILE 84 HB ILE 84 3.537 -0.714 0.905 676 HG12 ILE 84 HG12 ILE 84 0.935 -0.215 0.397 677 HG13 ILE 84 HG13 ILE 84 1.408 1.444 0.717 678 HG21 ILE 84 HG21 ILE 84 2.967 -1.257 3.212 679 HG22 ILE 84 HG22 ILE 84 1.601 -1.624 2.160 680 HG23 ILE 84 HG23 ILE 84 1.571 -0.173 3.163 681 HD11 ILE 84 HD11 ILE 84 2.602 -0.355 -1.390 682 HD12 ILE 84 HD12 ILE 84 3.011 1.340 -1.109 683 HD13 ILE 84 HD13 ILE 84 1.390 0.902 -1.655 684 H LYS 85 H LYS 85 3.807 1.217 4.531 685 HA LYS 85 HA LYS 85 6.280 -0.373 4.877 686 HB2 LYS 85 HB2 LYS 85 6.705 1.999 5.328 687 HB3 LYS 85 HB3 LYS 85 5.274 2.117 6.344 688 HG2 LYS 85 HG2 LYS 85 6.332 0.682 8.034 689 HG3 LYS 85 HG3 LYS 85 7.752 0.489 7.002 690 HD2 LYS 85 HD2 LYS 85 8.181 2.936 7.152 691 HD3 LYS 85 HD3 LYS 85 6.767 3.113 8.201 692 HE2 LYS 85 HE2 LYS 85 9.260 1.487 8.835 693 HE3 LYS 85 HE3 LYS 85 8.862 3.069 9.505 694 HZ1 LYS 85 HZ1 LYS 85 6.879 2.089 10.500 695 HZ2 LYS 85 HZ2 LYS 85 8.286 1.323 11.044 696 HZ3 LYS 85 HZ3 LYS 85 7.307 0.571 9.896 697 H MET 86 H MET 86 6.272 -1.739 6.824 698 HA MET 86 HA MET 86 3.961 -1.566 8.604 699 HB2 MET 86 HB2 MET 86 3.671 -4.053 8.698 700 HB3 MET 86 HB3 MET 86 3.180 -3.346 7.170 701 HG2 MET 86 HG2 MET 86 5.938 -4.495 7.403 702 HG3 MET 86 HG3 MET 86 4.567 -5.585 7.229 703 HE1 MET 86 HE1 MET 86 2.594 -4.057 5.353 704 HE2 MET 86 HE2 MET 86 3.058 -5.748 5.192 705 HE3 MET 86 HE3 MET 86 3.122 -4.679 3.789 706 H SER 87 H SER 87 4.316 -2.646 10.633 707 HA SER 87 HA SER 87 7.152 -3.109 11.378 708 HB2 SER 87 HB2 SER 87 6.698 -0.762 11.932 709 HB3 SER 87 HB3 SER 87 5.218 -1.212 12.780 710 HG SER 87 HG SER 87 6.365 -1.903 14.451 711 H TYR 88 H TYR 88 7.417 -4.743 12.895 712 HA TYR 88 HA TYR 88 4.972 -6.208 13.702 713 HB2 TYR 88 HB2 TYR 88 6.687 -7.485 12.402 714 HB3 TYR 88 HB3 TYR 88 7.869 -7.176 13.670 715 HD1 TYR 88 HD1 TYR 88 4.271 -8.318 13.711 716 HD2 TYR 88 HD2 TYR 88 8.295 -9.206 14.852 717 HE1 TYR 88 HE1 TYR 88 3.510 -10.350 14.849 718 HE2 TYR 88 HE2 TYR 88 7.520 -11.241 15.987 719 HH TYR 88 HH TYR 88 5.488 -12.170 16.941 720 H ASN 89 H ASN 89 4.288 -5.777 15.713 721 HA ASN 89 HA ASN 89 5.867 -4.356 17.644 722 HB2 ASN 89 HB2 ASN 89 3.079 -5.560 17.777 723 HB3 ASN 89 HB3 ASN 89 3.798 -4.622 19.090 724 HD21 ASN 89 HD21 ASN 89 2.467 -4.461 15.878 725 HD22 ASN 89 HD22 ASN 89 2.284 -2.757 15.843 726 H GLU 90 H GLU 90 5.442 -7.708 17.047 727 HA GLU 90 HA GLU 90 6.338 -9.574 17.884 728 HB2 GLU 90 HB2 GLU 90 8.425 -8.301 18.013 729 HB3 GLU 90 HB3 GLU 90 7.998 -7.716 19.617 730 HG2 GLU 90 HG2 GLU 90 8.110 -10.033 20.487 731 HG3 GLU 90 HG3 GLU 90 8.540 -10.608 18.873 732 H LEU 91 H LEU 91 6.263 -7.649 20.932 733 HA LEU 91 HA LEU 91 5.576 -9.926 22.506 734 HB2 LEU 91 HB2 LEU 91 5.519 -6.986 23.281 735 HB3 LEU 91 HB3 LEU 91 5.526 -8.344 24.394 736 HG LEU 91 HG LEU 91 7.810 -7.473 22.573 737 HD11 LEU 91 HD11 LEU 91 7.615 -7.467 25.602 738 HD12 LEU 91 HD12 LEU 91 7.536 -6.051 24.548 739 HD13 LEU 91 HD13 LEU 91 9.020 -6.994 24.642 740 HD21 LEU 91 HD21 LEU 91 7.721 -9.869 24.441 741 HD22 LEU 91 HD22 LEU 91 9.151 -9.271 23.592 742 HD23 LEU 91 HD23 LEU 91 7.792 -9.913 22.675 743 H THR 92 H THR 92 3.677 -7.696 20.742 744 HA THR 92 HA THR 92 1.213 -8.699 22.021 745 HB THR 92 HB THR 92 1.319 -6.395 22.673 746 HG1 THR 92 HG1 THR 92 -0.451 -6.365 20.438 747 HG21 THR 92 HG21 THR 92 2.946 -5.563 21.013 748 HG22 THR 92 HG22 THR 92 1.528 -4.512 21.113 749 HG23 THR 92 HG23 THR 92 1.709 -5.633 19.759 750 H GLY 93 H GLY 93 3.051 -8.795 19.272 751 HA2 GLY 93 HA2 GLY 93 2.715 -10.288 17.560 752 HA3 GLY 93 HA3 GLY 93 1.055 -10.490 18.070 753 H ASP 94 H ASP 94 0.482 -7.521 17.705 754 HA ASP 94 HA ASP 94 -0.482 -7.793 15.028 755 HB2 ASP 94 HB2 ASP 94 -1.530 -5.585 15.388 756 HB3 ASP 94 HB3 ASP 94 -1.813 -6.666 16.746 757 H TYR 95 H TYR 95 -0.405 -5.788 13.557 758 HA TYR 95 HA TYR 95 2.383 -4.863 13.144 759 HB2 TYR 95 HB2 TYR 95 0.280 -5.805 11.180 760 HB3 TYR 95 HB3 TYR 95 1.441 -4.595 10.647 761 HD1 TYR 95 HD1 TYR 95 1.218 -8.042 12.113 762 HD2 TYR 95 HD2 TYR 95 3.602 -5.246 9.919 763 HE1 TYR 95 HE1 TYR 95 2.870 -9.801 11.649 764 HE2 TYR 95 HE2 TYR 95 5.251 -7.003 9.467 765 HH TYR 95 HH TYR 95 5.971 -9.168 10.468 766 H VAL 96 H VAL 96 2.702 -2.696 13.202 767 HA VAL 96 HA VAL 96 0.519 -0.788 12.817 768 HB VAL 96 HB VAL 96 3.533 -0.262 13.022 769 HG11 VAL 96 HG11 VAL 96 2.879 2.090 13.544 770 HG12 VAL 96 HG12 VAL 96 1.188 1.678 13.246 771 HG13 VAL 96 HG13 VAL 96 2.357 1.605 11.927 772 HG21 VAL 96 HG21 VAL 96 3.101 0.368 15.388 773 HG22 VAL 96 HG22 VAL 96 2.696 -1.324 15.085 774 HG23 VAL 96 HG23 VAL 96 1.411 -0.119 15.207 775 H LEU 97 H LEU 97 -0.245 -0.996 10.762 776 HA LEU 97 HA LEU 97 1.584 -1.314 8.466 777 HB2 LEU 97 HB2 LEU 97 -0.177 -2.987 8.756 778 HB3 LEU 97 HB3 LEU 97 -1.411 -1.743 8.781 779 HG LEU 97 HG LEU 97 -1.021 -1.246 6.407 780 HD11 LEU 97 HD11 LEU 97 1.377 -1.688 6.269 781 HD12 LEU 97 HD12 LEU 97 0.511 -2.600 5.035 782 HD13 LEU 97 HD13 LEU 97 1.097 -3.419 6.488 783 HD21 LEU 97 HD21 LEU 97 -2.654 -2.992 6.989 784 HD22 LEU 97 HD22 LEU 97 -1.394 -4.225 6.894 785 HD23 LEU 97 HD23 LEU 97 -1.876 -3.338 5.445 786 H GLU 98 H GLU 98 2.099 0.445 7.350 787 HA GLU 98 HA GLU 98 0.541 2.945 7.708 788 HB2 GLU 98 HB2 GLU 98 3.539 2.528 7.371 789 HB3 GLU 98 HB3 GLU 98 2.738 4.087 7.589 790 HG2 GLU 98 HG2 GLU 98 2.135 3.594 9.835 791 HG3 GLU 98 HG3 GLU 98 2.483 1.875 9.646 792 H ILE 99 H ILE 99 -0.573 3.266 5.825 793 HA ILE 99 HA ILE 99 0.729 2.900 3.208 794 HB ILE 99 HB ILE 99 -2.148 3.179 4.100 795 HG12 ILE 99 HG12 ILE 99 -2.496 1.234 2.578 796 HG13 ILE 99 HG13 ILE 99 -0.816 1.320 2.071 797 HG21 ILE 99 HG21 ILE 99 -2.948 3.526 1.775 798 HG22 ILE 99 HG22 ILE 99 -1.284 3.796 1.250 799 HG23 ILE 99 HG23 ILE 99 -2.044 4.916 2.383 800 HD11 ILE 99 HD11 ILE 99 -1.238 -0.495 3.631 801 HD12 ILE 99 HD12 ILE 99 -1.769 0.660 4.854 802 HD13 ILE 99 HD13 ILE 99 -0.098 0.675 4.291 803 H THR 100 H THR 100 1.291 4.567 1.898 804 HA THR 100 HA THR 100 0.880 7.370 2.787 805 HB THR 100 HB THR 100 3.463 6.114 1.744 806 HG1 THR 100 HG1 THR 100 3.223 5.719 3.923 807 HG21 THR 100 HG21 THR 100 4.502 8.341 2.062 808 HG22 THR 100 HG22 THR 100 2.921 9.023 2.452 809 HG23 THR 100 HG23 THR 100 3.239 8.397 0.832 810 H ASP 101 H ASP 101 -0.516 8.106 1.298 811 HA ASP 101 HA ASP 101 0.101 7.838 -1.590 812 HB2 ASP 101 HB2 ASP 101 -1.785 6.359 -1.111 813 HB3 ASP 101 HB3 ASP 101 -2.620 7.628 -0.214 814 H PHE 102 H PHE 102 -0.564 9.641 -2.898 815 HA PHE 102 HA PHE 102 -0.821 12.207 -1.410 816 HB2 PHE 102 HB2 PHE 102 0.724 11.592 -3.974 817 HB3 PHE 102 HB3 PHE 102 0.445 13.220 -3.378 818 HD1 PHE 102 HD2 PHE 102 1.905 9.935 -2.222 819 HD2 PHE 102 HD1 PHE 102 2.136 14.209 -2.050 820 HE1 PHE 102 HE2 PHE 102 3.956 9.776 -0.877 821 HE2 PHE 102 HE1 PHE 102 4.196 14.035 -0.713 822 HZ PHE 102 HZ PHE 102 5.104 11.821 -0.121 823 H SER 103 H SER 103 -2.727 13.139 -1.746 824 HA SER 103 HA SER 103 -4.013 13.268 -4.383 825 HB2 SER 103 HB2 SER 103 -5.416 12.045 -1.958 826 HB3 SER 103 HB3 SER 103 -6.243 12.524 -3.440 827 HG SER 103 HG SER 103 -4.619 10.340 -2.924 828 H GLU 104 H GLU 104 -5.678 14.966 -4.486 829 HA GLU 104 HA GLU 104 -4.801 17.222 -2.962 830 HB2 GLU 104 HB2 GLU 104 -5.472 17.112 -5.456 831 HB3 GLU 104 HB3 GLU 104 -7.144 17.214 -4.894 832 HG2 GLU 104 HG2 GLU 104 -6.616 19.328 -3.772 833 HG3 GLU 104 HG3 GLU 104 -4.945 19.219 -4.319 834 H ALA 105 H ALA 105 -6.230 18.743 -1.846 835 HA ALA 105 HA ALA 105 -7.577 17.897 0.349 836 HB1 ALA 105 HB1 ALA 105 -8.170 20.442 -1.198 837 HB2 ALA 105 HB2 ALA 105 -6.838 20.214 -0.063 838 HB3 ALA 105 HB3 ALA 105 -8.505 20.169 0.515 839 H ASP 106 H ASP 106 -9.184 18.740 -2.727 840 HA ASP 106 HA ASP 106 -11.873 18.331 -1.899 841 HB2 ASP 106 HB2 ASP 106 -10.718 18.206 -4.709 842 HB3 ASP 106 HB3 ASP 106 -12.426 18.398 -4.309 843 H GLU 107 H GLU 107 -9.507 15.994 -2.477 844 HA GLU 107 HA GLU 107 -11.452 13.789 -2.939 845 HB2 GLU 107 HB2 GLU 107 -8.433 13.787 -3.421 846 HB3 GLU 107 HB3 GLU 107 -9.581 12.525 -3.878 847 HG2 GLU 107 HG2 GLU 107 -10.609 13.999 -5.520 848 HG3 GLU 107 HG3 GLU 107 -9.585 15.340 -5.004 849 H ALA 108 H ALA 108 -9.031 15.116 -0.807 850 HA ALA 108 HA ALA 108 -8.176 12.757 0.531 851 HB1 ALA 108 HB1 ALA 108 -7.134 14.275 2.157 852 HB2 ALA 108 HB2 ALA 108 -8.060 15.635 1.510 853 HB3 ALA 108 HB3 ALA 108 -6.846 14.839 0.507 854 H ASP 109 H ASP 109 -10.791 15.086 1.179 855 HA ASP 109 HA ASP 109 -11.644 14.072 3.679 856 HB2 ASP 109 HB2 ASP 109 -13.153 15.546 1.489 857 HB3 ASP 109 HB3 ASP 109 -13.878 15.145 3.049 858 H ASP 110 H ASP 110 -12.435 13.028 0.367 859 HA ASP 110 HA ASP 110 -14.462 11.114 1.048 860 HB2 ASP 110 HB2 ASP 110 -12.608 11.169 -1.380 861 HB3 ASP 110 HB3 ASP 110 -14.089 10.221 -1.238 862 H LEU 111 H LEU 111 -10.961 10.922 0.598 863 HA LEU 111 HA LEU 111 -10.624 8.110 0.908 864 HB2 LEU 111 HB2 LEU 111 -8.724 10.462 1.195 865 HB3 LEU 111 HB3 LEU 111 -8.187 8.801 1.358 866 HG LEU 111 HG LEU 111 -9.424 10.024 -1.150 867 HD11 LEU 111 HD11 LEU 111 -7.213 9.814 -2.155 868 HD12 LEU 111 HD12 LEU 111 -6.553 9.223 -0.628 869 HD13 LEU 111 HD13 LEU 111 -7.178 10.870 -0.744 870 HD21 LEU 111 HD21 LEU 111 -9.997 7.643 -0.967 871 HD22 LEU 111 HD22 LEU 111 -8.295 7.229 -0.749 872 HD23 LEU 111 HD23 LEU 111 -8.851 7.911 -2.280 873 H LYS 112 H LYS 112 -10.330 10.804 3.197 874 HA LYS 112 HA LYS 112 -9.588 9.217 5.466 875 HB2 LYS 112 HB2 LYS 112 -10.581 12.087 5.248 876 HB3 LYS 112 HB3 LYS 112 -10.104 11.350 6.777 877 HG2 LYS 112 HG2 LYS 112 -8.277 11.710 4.370 878 HG3 LYS 112 HG3 LYS 112 -8.320 12.765 5.787 879 HD2 LYS 112 HD2 LYS 112 -7.608 10.881 7.225 880 HD3 LYS 112 HD3 LYS 112 -7.612 9.796 5.830 881 HE2 LYS 112 HE2 LYS 112 -5.327 10.534 6.414 882 HE3 LYS 112 HE3 LYS 112 -5.787 11.075 4.804 883 HZ1 LYS 112 HZ1 LYS 112 -5.905 12.775 7.236 884 HZ2 LYS 112 HZ2 LYS 112 -6.168 13.271 5.641 885 HZ3 LYS 112 HZ3 LYS 112 -4.632 12.775 6.127 886 H GLU 113 H GLU 113 -12.669 10.353 4.170 887 HA GLU 113 HA GLU 113 -14.401 9.584 6.300 888 HB2 GLU 113 HB2 GLU 113 -15.059 11.036 4.358 889 HB3 GLU 113 HB3 GLU 113 -14.968 9.642 3.297 890 HG2 GLU 113 HG2 GLU 113 -17.283 10.080 3.795 891 HG3 GLU 113 HG3 GLU 113 -16.820 8.570 4.591 892 H LEU 114 H LEU 114 -13.472 7.919 3.291 893 HA LEU 114 HA LEU 114 -14.589 5.387 3.660 894 HB2 LEU 114 HB2 LEU 114 -13.630 6.141 1.532 895 HB3 LEU 114 HB3 LEU 114 -12.030 6.221 2.244 896 HG LEU 114 HG LEU 114 -12.067 3.713 2.512 897 HD11 LEU 114 HD11 LEU 114 -14.623 3.847 0.887 898 HD12 LEU 114 HD12 LEU 114 -14.479 3.341 2.573 899 HD13 LEU 114 HD13 LEU 114 -13.730 2.379 1.301 900 HD21 LEU 114 HD21 LEU 114 -10.927 4.748 0.607 901 HD22 LEU 114 HD22 LEU 114 -12.421 4.714 -0.332 902 HD23 LEU 114 HD23 LEU 114 -11.643 3.203 0.146 903 H TRP 115 H TRP 115 -11.389 6.598 4.630 904 HA TRP 115 HA TRP 115 -10.380 4.178 5.691 905 HB2 TRP 115 HB2 TRP 115 -8.792 5.844 5.024 906 HB3 TRP 115 HB3 TRP 115 -9.540 7.074 6.036 907 HD1 TRP 115 HD1 TRP 115 -7.800 7.665 7.825 908 HE1 TRP 115 HE1 TRP 115 -6.300 6.371 9.453 909 HE3 TRP 115 HE3 TRP 115 -8.793 2.883 6.259 910 HZ2 TRP 115 HZ2 TRP 115 -5.637 3.701 10.017 911 HZ3 TRP 115 HZ3 TRP 115 -7.689 1.018 7.416 912 HH2 TRP 115 HH2 TRP 115 -6.144 1.422 9.256 913 H ASP 116 H ASP 116 -11.877 7.004 7.332 914 HA ASP 116 HA ASP 116 -11.649 6.068 9.981 915 HB2 ASP 116 HB2 ASP 116 -12.244 8.431 9.233 916 HB3 ASP 116 HB3 ASP 116 -13.880 7.855 8.910 917 H SER 117 H SER 117 -14.126 5.489 7.507 918 HA SER 117 HA SER 117 -15.894 3.832 8.967 919 HB2 SER 117 HB2 SER 117 -16.425 4.690 6.701 920 HB3 SER 117 HB3 SER 117 -15.171 3.668 6.009 921 HG SER 117 HG SER 117 -17.084 2.383 7.574 922 H GLN 118 H GLN 118 -13.006 2.979 7.000 923 HA GLN 118 HA GLN 118 -13.078 0.185 7.380 924 HB2 GLN 118 HB2 GLN 118 -10.734 2.019 6.754 925 HB3 GLN 118 HB3 GLN 118 -10.615 0.261 6.743 926 HG2 GLN 118 HG2 GLN 118 -12.424 1.911 4.952 927 HG3 GLN 118 HG3 GLN 118 -10.882 1.207 4.478 928 HE21 GLN 118 HE21 GLN 118 -11.357 -1.336 5.888 929 HE22 GLN 118 HE22 GLN 118 -12.541 -2.174 4.957 930 H VAL 119 H VAL 119 -11.624 2.705 9.447 931 HA VAL 119 HA VAL 119 -10.177 1.038 11.235 932 HB VAL 119 HB VAL 119 -11.562 3.701 11.827 933 HG11 VAL 119 HG11 VAL 119 -11.008 2.527 13.923 934 HG12 VAL 119 HG12 VAL 119 -9.958 3.930 13.712 935 HG13 VAL 119 HG13 VAL 119 -9.340 2.309 13.382 936 HG21 VAL 119 HG21 VAL 119 -9.951 3.931 9.985 937 HG22 VAL 119 HG22 VAL 119 -8.691 3.176 10.961 938 HG23 VAL 119 HG23 VAL 119 -9.350 4.745 11.432 939 H SER 120 H SER 120 -13.501 2.293 11.326 940 HA SER 120 HA SER 120 -14.413 1.046 13.692 941 HB2 SER 120 HB2 SER 120 -15.638 2.906 12.673 942 HB3 SER 120 HB3 SER 120 -15.959 1.955 11.227 943 HG SER 120 HG SER 120 -17.422 2.118 13.411 944 H LYS 121 H LYS 121 -14.491 -0.039 10.300 945 HA LYS 121 HA LYS 121 -16.025 -2.405 10.659 946 HB2 LYS 121 HB2 LYS 121 -14.075 -1.611 8.466 947 HB3 LYS 121 HB3 LYS 121 -15.123 -3.025 8.387 948 HG2 LYS 121 HG2 LYS 121 -17.106 -1.655 8.328 949 HG3 LYS 121 HG3 LYS 121 -16.179 -0.199 8.692 950 HD2 LYS 121 HD2 LYS 121 -16.807 -0.286 6.310 951 HD3 LYS 121 HD3 LYS 121 -15.053 -0.326 6.509 952 HE2 LYS 121 HE2 LYS 121 -15.086 -2.783 6.150 953 HE3 LYS 121 HE3 LYS 121 -16.837 -2.727 5.937 954 HZ1 LYS 121 HZ1 LYS 121 -15.639 -2.776 3.831 955 HZ2 LYS 121 HZ2 LYS 121 -14.861 -1.327 4.216 956 HZ3 LYS 121 HZ3 LYS 121 -16.534 -1.353 3.994 957 H LEU 122 H LEU 122 -12.473 -1.884 10.525 958 HA LEU 122 HA LEU 122 -11.681 -4.598 10.858 959 HB2 LEU 122 HB2 LEU 122 -10.197 -2.015 11.504 960 HB3 LEU 122 HB3 LEU 122 -9.459 -3.607 11.620 961 HG LEU 122 HG LEU 122 -10.505 -2.327 9.059 962 HD11 LEU 122 HD11 LEU 122 -8.146 -2.174 8.383 963 HD12 LEU 122 HD12 LEU 122 -7.643 -2.789 9.961 964 HD13 LEU 122 HD13 LEU 122 -8.468 -1.232 9.840 965 HD21 LEU 122 HD21 LEU 122 -9.083 -4.988 9.436 966 HD22 LEU 122 HD22 LEU 122 -9.489 -4.246 7.885 967 HD23 LEU 122 HD23 LEU 122 -10.775 -4.760 8.975 968 H ARG 123 H ARG 123 -12.534 -2.066 13.175 969 HA ARG 123 HA ARG 123 -11.850 -3.422 15.573 970 HB2 ARG 123 HB2 ARG 123 -12.278 -1.003 15.465 971 HB3 ARG 123 HB3 ARG 123 -13.952 -1.277 15.019 972 HG2 ARG 123 HG2 ARG 123 -12.940 -2.337 17.659 973 HG3 ARG 123 HG3 ARG 123 -13.275 -0.617 17.497 974 HD2 ARG 123 HD2 ARG 123 -15.616 -1.105 16.900 975 HD3 ARG 123 HD3 ARG 123 -15.293 -2.835 16.974 976 HE ARG 123 HE ARG 123 -14.894 -2.585 19.365 977 HH11 ARG 123 HH11 ARG 123 -16.558 0.076 17.869 978 HH12 ARG 123 HH12 ARG 123 -17.333 0.537 19.344 979 HH21 ARG 123 HH21 ARG 123 -15.891 -1.965 21.215 980 HH22 ARG 123 HH22 ARG 123 -16.957 -0.607 21.219 981 H ARG 124 H ARG 124 -14.817 -3.472 13.572 982 HA ARG 124 HA ARG 124 -16.442 -5.036 15.330 983 HB2 ARG 124 HB2 ARG 124 -16.667 -4.877 12.290 984 HB3 ARG 124 HB3 ARG 124 -17.927 -5.389 13.413 985 HG2 ARG 124 HG2 ARG 124 -17.959 -3.066 14.351 986 HG3 ARG 124 HG3 ARG 124 -16.785 -2.598 13.116 987 HD2 ARG 124 HD2 ARG 124 -19.606 -3.611 12.633 988 HD3 ARG 124 HD3 ARG 124 -19.024 -1.959 12.402 989 HE ARG 124 HE ARG 124 -17.501 -3.733 10.804 990 HH11 ARG 124 HH11 ARG 124 -20.662 -2.324 10.888 991 HH12 ARG 124 HH12 ARG 124 -20.883 -2.495 9.183 992 HH21 ARG 124 HH21 ARG 124 -17.823 -3.930 8.635 993 HH22 ARG 124 HH22 ARG 124 -19.305 -3.383 7.930 994 H THR 125 H THR 125 -14.461 -5.930 12.498 995 HA THR 125 HA THR 125 -15.163 -8.756 12.718 996 HB THR 125 HB THR 125 -15.130 -7.655 10.498 997 HG1 THR 125 HG1 THR 125 -13.149 -9.708 10.680 998 HG21 THR 125 HG21 THR 125 -13.213 -6.131 10.784 999 HG22 THR 125 HG22 THR 125 -13.002 -7.153 9.361 1000 HG23 THR 125 HG23 THR 125 -12.113 -7.511 10.844 1001 H CYS 126 H CYS 126 -12.596 -6.760 13.814 1002 HA CYS 126 HA CYS 126 -10.566 -7.053 14.788 1003 HB2 CYS 126 HB2 CYS 126 -11.874 -8.514 16.318 1004 HB3 CYS 126 HB3 CYS 126 -11.526 -9.900 15.291 1005 HG CYS 126 HG CYS 126 -8.613 -9.286 15.759 1006 H GLY 127 H GLY 127 -10.558 -7.254 12.020 1007 HA2 GLY 127 HA2 GLY 127 -9.034 -7.765 10.330 1008 HA3 GLY 127 HA3 GLY 127 -8.239 -8.917 11.397 1009 H PHE 128 H PHE 128 -8.233 -10.754 10.152 1010 HA PHE 128 HA PHE 128 -8.876 -12.637 9.088 1011 HB2 PHE 128 HB2 PHE 128 -11.522 -12.143 10.515 1012 HB3 PHE 128 HB3 PHE 128 -11.063 -13.663 9.754 1013 HD1 PHE 128 HD1 PHE 128 -9.033 -14.947 10.680 1014 HD2 PHE 128 HD2 PHE 128 -10.790 -11.640 12.768 1015 HE1 PHE 128 HE1 PHE 128 -7.907 -15.646 12.758 1016 HE2 PHE 128 HE2 PHE 128 -9.658 -12.355 14.834 1017 HZ PHE 128 HZ PHE 128 -8.214 -14.351 14.831 1018 H LEU 129 H LEU 129 -9.549 -9.918 7.869 1019 HA LEU 129 HA LEU 129 -11.698 -10.368 5.994 1020 HB2 LEU 129 HB2 LEU 129 -10.648 -8.115 7.078 1021 HB3 LEU 129 HB3 LEU 129 -9.663 -8.158 5.636 1022 HG LEU 129 HG LEU 129 -11.617 -6.633 5.441 1023 HD11 LEU 129 HD11 LEU 129 -10.710 -7.558 3.373 1024 HD12 LEU 129 HD12 LEU 129 -12.451 -7.322 3.246 1025 HD13 LEU 129 HD13 LEU 129 -11.798 -8.944 3.489 1026 HD21 LEU 129 HD21 LEU 129 -13.909 -7.484 5.293 1027 HD22 LEU 129 HD22 LEU 129 -13.202 -7.840 6.867 1028 HD23 LEU 129 HD23 LEU 129 -13.345 -9.119 5.658 1029 H GLU 130 H GLU 130 -8.275 -10.912 6.095 1030 HA GLU 130 HA GLU 130 -7.851 -11.288 3.240 1031 HB2 GLU 130 HB2 GLU 130 -6.192 -10.520 5.253 1032 HB3 GLU 130 HB3 GLU 130 -5.875 -12.244 5.338 1033 HG2 GLU 130 HG2 GLU 130 -5.537 -10.618 2.795 1034 HG3 GLU 130 HG3 GLU 130 -4.259 -10.782 3.990 1035 H HIS 131 H HIS 131 -6.818 -13.474 2.567 1036 HA HIS 131 HA HIS 131 -6.603 -15.708 2.362 1037 HB2 HIS 131 HB2 HIS 131 -8.088 -15.990 4.998 1038 HB3 HIS 131 HB3 HIS 131 -7.367 -17.330 4.114 1039 HD1 HIS 131 HD1 HIS 131 -4.658 -17.114 3.809 1040 HD2 HIS 131 HD2 HIS 131 -6.399 -14.769 6.761 1041 HE1 HIS 131 HE1 HIS 131 -2.782 -16.438 5.318 1042 HE2 HIS 131 HE2 HIS 131 -3.820 -14.842 6.947 1043 H HIS 132 H HIS 132 -8.845 -14.044 1.422 1044 HA HIS 132 HA HIS 132 -10.097 -16.171 -0.053 1045 HB2 HIS 132 HB2 HIS 132 -12.500 -15.276 0.404 1046 HB3 HIS 132 HB3 HIS 132 -11.763 -16.322 1.606 1047 HD1 HIS 132 HD1 HIS 132 -11.244 -15.313 3.906 1048 HD2 HIS 132 HD2 HIS 132 -12.929 -12.590 1.257 1049 HE1 HIS 132 HE1 HIS 132 -11.946 -13.363 5.309 1050 HE2 HIS 132 HE2 HIS 132 -12.791 -11.661 3.665 1051 H HIS 133 H HIS 133 -9.221 -15.327 -1.859 1052 HA HIS 133 HA HIS 133 -9.772 -12.581 -2.726 1053 HB2 HIS 133 HB2 HIS 133 -8.252 -14.853 -4.089 1054 HB3 HIS 133 HB3 HIS 133 -8.364 -13.205 -4.698 1055 HD1 HIS 133 HD1 HIS 133 -6.683 -15.265 -2.042 1056 HD2 HIS 133 HD2 HIS 133 -6.658 -11.353 -3.433 1057 HE1 HIS 133 HE1 HIS 133 -4.721 -14.178 -0.935 1058 HE2 HIS 133 HE2 HIS 133 -4.556 -11.932 -2.044 1059 H HIS 134 H HIS 134 -11.751 -12.214 -3.528 1060 HA HIS 134 HA HIS 134 -13.767 -12.361 -4.509 1061 HB2 HIS 134 HB2 HIS 134 -12.583 -14.639 -6.148 1062 HB3 HIS 134 HB3 HIS 134 -14.168 -13.932 -6.434 1063 HD1 HIS 134 HD1 HIS 134 -14.179 -11.401 -7.274 1064 HD2 HIS 134 HD2 HIS 134 -10.471 -13.281 -7.302 1065 HE1 HIS 134 HE1 HIS 134 -12.724 -10.000 -8.762 1066 HE2 HIS 134 HE2 HIS 134 -10.553 -11.254 -8.905 1067 H HIS 135 H HIS 135 -15.599 -14.203 -5.076 1068 HA HIS 135 HA HIS 135 -16.313 -15.198 -2.488 1069 HB2 HIS 135 HB2 HIS 135 -17.907 -14.235 -4.226 1070 HB3 HIS 135 HB3 HIS 135 -17.750 -15.742 -5.120 1071 HD1 HIS 135 HD1 HIS 135 -20.157 -16.523 -4.832 1072 HD2 HIS 135 HD2 HIS 135 -18.349 -15.601 -1.209 1073 HE1 HIS 135 HE1 HIS 135 -21.759 -17.294 -3.065 1074 HE2 HIS 135 HE2 HIS 135 -20.554 -16.910 -0.897 1075 H HIS 136 H HIS 136 -14.749 -16.679 -5.242 1076 HA HIS 136 HA HIS 136 -14.338 -19.141 -3.767 1077 HB2 HIS 136 HB2 HIS 136 -15.181 -20.625 -5.668 1078 HB3 HIS 136 HB3 HIS 136 -16.435 -19.804 -4.756 1079 HD1 HIS 136 HD1 HIS 136 -15.206 -20.297 -8.168 1080 HD2 HIS 136 HD2 HIS 136 -17.605 -17.533 -6.196 1081 HE1 HIS 136 HE1 HIS 136 -16.476 -19.104 -9.973 1082 HE2 HIS 136 HE2 HIS 136 -17.978 -17.500 -8.757 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -5.470 21.665 -6.485 2 H2 MET 1 H2 MET 1 -4.693 23.093 -6.955 3 H3 MET 1 H3 MET 1 -6.265 23.155 -6.335 4 HA MET 1 HA MET 1 -4.699 23.878 -4.664 5 HB2 MET 1 HB2 MET 1 -5.779 21.091 -4.031 6 HB3 MET 1 HB3 MET 1 -5.342 22.312 -2.842 7 HG2 MET 1 HG2 MET 1 -7.184 23.724 -3.570 8 HG3 MET 1 HG3 MET 1 -7.584 22.583 -4.859 9 HE1 MET 1 HE1 MET 1 -10.606 22.063 -2.424 10 HE2 MET 1 HE2 MET 1 -10.113 22.405 -4.083 11 HE3 MET 1 HE3 MET 1 -9.806 23.587 -2.809 12 H LYS 2 H LYS 2 -3.049 22.940 -2.969 13 HA LYS 2 HA LYS 2 -1.045 21.210 -4.251 14 HB2 LYS 2 HB2 LYS 2 -1.038 22.822 -1.669 15 HB3 LYS 2 HB3 LYS 2 0.220 21.637 -2.018 16 HG2 LYS 2 HG2 LYS 2 0.832 22.881 -4.065 17 HG3 LYS 2 HG3 LYS 2 -0.427 24.074 -3.721 18 HD2 LYS 2 HD2 LYS 2 0.729 24.713 -1.635 19 HD3 LYS 2 HD3 LYS 2 1.961 23.479 -1.919 20 HE2 LYS 2 HE2 LYS 2 1.444 25.850 -3.756 21 HE3 LYS 2 HE3 LYS 2 2.708 25.787 -2.528 22 HZ1 LYS 2 HZ1 LYS 2 3.655 23.866 -3.698 23 HZ2 LYS 2 HZ2 LYS 2 3.606 25.245 -4.670 24 HZ3 LYS 2 HZ3 LYS 2 2.475 24.014 -4.899 25 H LYS 3 H LYS 3 -0.532 19.166 -3.562 26 HA LYS 3 HA LYS 3 -2.506 17.561 -2.341 27 HB2 LYS 3 HB2 LYS 3 0.108 17.120 -3.619 28 HB3 LYS 3 HB3 LYS 3 -0.118 16.022 -2.282 29 HG2 LYS 3 HG2 LYS 3 -0.801 15.012 -4.400 30 HG3 LYS 3 HG3 LYS 3 -2.156 15.137 -3.278 31 HD2 LYS 3 HD2 LYS 3 -2.826 15.704 -5.578 32 HD3 LYS 3 HD3 LYS 3 -3.027 17.077 -4.487 33 HE2 LYS 3 HE2 LYS 3 -0.881 18.034 -5.345 34 HE3 LYS 3 HE3 LYS 3 -0.740 16.677 -6.466 35 HZ1 LYS 3 HZ1 LYS 3 -1.665 18.625 -7.522 36 HZ2 LYS 3 HZ2 LYS 3 -2.943 18.660 -6.416 37 HZ3 LYS 3 HZ3 LYS 3 -2.799 17.371 -7.506 38 H GLU 4 H GLU 4 -2.537 16.457 -0.475 39 HA GLU 4 HA GLU 4 -0.770 17.255 1.761 40 HB2 GLU 4 HB2 GLU 4 -3.118 17.793 2.192 41 HB3 GLU 4 HB3 GLU 4 -3.634 16.179 1.713 42 HG2 GLU 4 HG2 GLU 4 -2.451 15.229 3.683 43 HG3 GLU 4 HG3 GLU 4 -1.958 16.858 4.157 44 H LYS 5 H LYS 5 0.745 15.693 2.216 45 HA LYS 5 HA LYS 5 0.513 12.969 1.406 46 HB2 LYS 5 HB2 LYS 5 2.720 14.026 1.882 47 HB3 LYS 5 HB3 LYS 5 2.293 14.133 3.590 48 HG2 LYS 5 HG2 LYS 5 2.012 11.566 3.521 49 HG3 LYS 5 HG3 LYS 5 2.786 11.635 1.936 50 HD2 LYS 5 HD2 LYS 5 4.429 11.080 3.641 51 HD3 LYS 5 HD3 LYS 5 4.785 12.675 2.968 52 HE2 LYS 5 HE2 LYS 5 3.740 13.745 4.952 53 HE3 LYS 5 HE3 LYS 5 3.369 12.154 5.620 54 HZ1 LYS 5 HZ1 LYS 5 6.087 13.219 5.085 55 HZ2 LYS 5 HZ2 LYS 5 5.740 11.687 5.707 56 HZ3 LYS 5 HZ3 LYS 5 5.358 13.067 6.602 57 H ILE 6 H ILE 6 -0.452 11.321 2.420 58 HA ILE 6 HA ILE 6 -1.618 11.650 5.103 59 HB ILE 6 HB ILE 6 -3.755 10.677 4.427 60 HG12 ILE 6 HG12 ILE 6 -2.628 10.522 1.591 61 HG13 ILE 6 HG13 ILE 6 -3.042 9.159 2.631 62 HG21 ILE 6 HG21 ILE 6 -3.023 12.961 2.553 63 HG22 ILE 6 HG22 ILE 6 -3.543 13.123 4.231 64 HG23 ILE 6 HG23 ILE 6 -4.665 12.500 3.021 65 HD11 ILE 6 HD11 ILE 6 -4.704 9.483 0.914 66 HD12 ILE 6 HD12 ILE 6 -4.977 11.141 1.444 67 HD13 ILE 6 HD13 ILE 6 -5.403 9.794 2.504 68 H HIS 7 H HIS 7 -0.766 10.103 6.340 69 HA HIS 7 HA HIS 7 -0.292 7.410 5.244 70 HB2 HIS 7 HB2 HIS 7 0.702 6.964 7.556 71 HB3 HIS 7 HB3 HIS 7 1.560 8.118 6.550 72 HD1 HIS 7 HD1 HIS 7 -1.079 8.298 9.311 73 HD2 HIS 7 HD2 HIS 7 2.334 10.266 8.000 74 HE1 HIS 7 HE1 HIS 7 -0.678 10.111 10.987 75 HE2 HIS 7 HE2 HIS 7 1.494 11.146 10.285 76 H LEU 8 H LEU 8 -1.920 5.970 5.360 77 HA LEU 8 HA LEU 8 -4.088 6.328 7.335 78 HB2 LEU 8 HB2 LEU 8 -4.030 4.505 4.890 79 HB3 LEU 8 HB3 LEU 8 -5.408 4.798 5.929 80 HG LEU 8 HG LEU 8 -5.921 6.054 4.033 81 HD11 LEU 8 HD11 LEU 8 -6.176 7.452 6.016 82 HD12 LEU 8 HD12 LEU 8 -5.810 8.411 4.585 83 HD13 LEU 8 HD13 LEU 8 -4.550 8.102 5.782 84 HD21 LEU 8 HD21 LEU 8 -3.056 7.017 3.833 85 HD22 LEU 8 HD22 LEU 8 -4.378 7.456 2.746 86 HD23 LEU 8 HD23 LEU 8 -3.826 5.786 2.828 87 H GLU 9 H GLU 9 -3.775 5.117 9.213 88 HA GLU 9 HA GLU 9 -2.217 2.606 9.058 89 HB2 GLU 9 HB2 GLU 9 -2.856 4.317 11.500 90 HB3 GLU 9 HB3 GLU 9 -1.976 2.798 11.548 91 HG2 GLU 9 HG2 GLU 9 -0.154 4.148 11.497 92 HG3 GLU 9 HG3 GLU 9 -0.421 4.102 9.759 93 H TYR 10 H TYR 10 -3.003 0.683 9.584 94 HA TYR 10 HA TYR 10 -5.796 0.397 10.564 95 HB2 TYR 10 HB2 TYR 10 -4.475 -1.303 8.388 96 HB3 TYR 10 HB3 TYR 10 -6.132 -1.444 8.966 97 HD1 TYR 10 HD1 TYR 10 -7.726 0.570 8.592 98 HD2 TYR 10 HD2 TYR 10 -3.978 0.165 6.564 99 HE1 TYR 10 HE1 TYR 10 -8.456 2.202 6.909 100 HE2 TYR 10 HE2 TYR 10 -4.714 1.795 4.876 101 HH TYR 10 HH TYR 10 -6.747 2.746 3.981 102 H LEU 11 H LEU 11 -6.078 -1.211 12.130 103 HA LEU 11 HA LEU 11 -3.608 -2.408 13.185 104 HB2 LEU 11 HB2 LEU 11 -4.721 -2.788 15.273 105 HB3 LEU 11 HB3 LEU 11 -5.001 -1.134 14.779 106 HG LEU 11 HG LEU 11 -7.088 -3.343 14.529 107 HD11 LEU 11 HD11 LEU 11 -6.841 -1.256 16.718 108 HD12 LEU 11 HD12 LEU 11 -6.536 -2.988 16.890 109 HD13 LEU 11 HD13 LEU 11 -8.159 -2.418 16.516 110 HD21 LEU 11 HD21 LEU 11 -7.466 -1.475 12.983 111 HD22 LEU 11 HD22 LEU 11 -7.400 -0.329 14.325 112 HD23 LEU 11 HD23 LEU 11 -8.701 -1.521 14.240 113 H LEU 12 H LEU 12 -3.115 -4.210 12.150 114 HA LEU 12 HA LEU 12 -5.125 -6.227 11.484 115 HB2 LEU 12 HB2 LEU 12 -2.224 -5.797 10.782 116 HB3 LEU 12 HB3 LEU 12 -2.904 -7.404 10.603 117 HG LEU 12 HG LEU 12 -2.954 -6.195 8.471 118 HD11 LEU 12 HD11 LEU 12 -4.692 -7.852 8.923 119 HD12 LEU 12 HD12 LEU 12 -5.300 -6.554 7.897 120 HD13 LEU 12 HD13 LEU 12 -5.735 -6.601 9.610 121 HD21 LEU 12 HD21 LEU 12 -4.359 -4.228 8.109 122 HD22 LEU 12 HD22 LEU 12 -3.112 -3.887 9.304 123 HD23 LEU 12 HD23 LEU 12 -4.773 -4.175 9.827 124 H ASN 13 H ASN 13 -5.726 -7.630 12.920 125 HA ASN 13 HA ASN 13 -3.822 -8.749 14.899 126 HB2 ASN 13 HB2 ASN 13 -6.786 -8.111 15.275 127 HB3 ASN 13 HB3 ASN 13 -5.790 -8.956 16.457 128 HD21 ASN 13 HD21 ASN 13 -6.367 -5.862 14.893 129 HD22 ASN 13 HD22 ASN 13 -5.520 -4.912 16.057 130 H ALA 14 H ALA 14 -5.221 -10.861 15.882 131 HA ALA 14 HA ALA 14 -5.493 -13.086 15.531 132 HB1 ALA 14 HB1 ALA 14 -7.072 -12.168 13.099 133 HB2 ALA 14 HB2 ALA 14 -7.706 -12.351 14.736 134 HB3 ALA 14 HB3 ALA 14 -7.158 -13.768 13.839 135 H THR 15 H THR 15 -5.651 -14.444 12.801 136 HA THR 15 HA THR 15 -2.831 -14.715 12.286 137 HB THR 15 HB THR 15 -3.494 -16.281 10.448 138 HG1 THR 15 HG1 THR 15 -5.467 -15.236 9.828 139 HG21 THR 15 HG21 THR 15 -3.318 -17.154 12.756 140 HG22 THR 15 HG22 THR 15 -4.578 -17.995 11.852 141 HG23 THR 15 HG23 THR 15 -5.017 -16.762 13.037 142 H SER 16 H SER 16 -2.303 -12.512 11.786 143 HA SER 16 HA SER 16 -2.587 -11.836 8.912 144 HB2 SER 16 HB2 SER 16 -2.811 -9.865 11.238 145 HB3 SER 16 HB3 SER 16 -2.680 -9.395 9.542 146 HG SER 16 HG SER 16 -4.804 -10.696 10.866 147 H LYS 17 H LYS 17 -0.618 -11.532 7.972 148 HA LYS 17 HA LYS 17 1.758 -10.931 9.659 149 HB2 LYS 17 HB2 LYS 17 1.605 -12.868 7.309 150 HB3 LYS 17 HB3 LYS 17 3.091 -12.401 8.136 151 HG2 LYS 17 HG2 LYS 17 2.187 -13.404 10.240 152 HG3 LYS 17 HG3 LYS 17 0.760 -13.928 9.343 153 HD2 LYS 17 HD2 LYS 17 2.336 -15.787 9.577 154 HD3 LYS 17 HD3 LYS 17 2.193 -15.327 7.879 155 HE2 LYS 17 HE2 LYS 17 4.332 -14.095 8.025 156 HE3 LYS 17 HE3 LYS 17 4.464 -14.503 9.737 157 HZ1 LYS 17 HZ1 LYS 17 5.803 -15.934 8.295 158 HZ2 LYS 17 HZ2 LYS 17 4.401 -16.489 7.529 159 HZ3 LYS 17 HZ3 LYS 17 4.653 -16.807 9.171 160 H ASN 18 H ASN 18 3.691 -10.433 7.972 161 HA ASN 18 HA ASN 18 3.151 -8.006 6.644 162 HB2 ASN 18 HB2 ASN 18 5.454 -8.192 5.703 163 HB3 ASN 18 HB3 ASN 18 5.397 -8.478 7.439 164 HD21 ASN 18 HD21 ASN 18 7.173 -9.391 5.076 165 HD22 ASN 18 HD22 ASN 18 7.362 -11.083 5.367 166 H ILE 19 H ILE 19 2.874 -11.272 5.474 167 HA ILE 19 HA ILE 19 3.375 -11.119 2.752 168 HB ILE 19 HB ILE 19 1.420 -12.890 4.276 169 HG12 ILE 19 HG12 ILE 19 3.142 -14.704 3.613 170 HG13 ILE 19 HG13 ILE 19 4.184 -13.395 3.076 171 HG21 ILE 19 HG21 ILE 19 2.079 -13.151 1.322 172 HG22 ILE 19 HG22 ILE 19 0.506 -12.756 2.019 173 HG23 ILE 19 HG23 ILE 19 1.207 -14.350 2.285 174 HD11 ILE 19 HD11 ILE 19 4.224 -12.535 5.371 175 HD12 ILE 19 HD12 ILE 19 4.827 -14.186 5.240 176 HD13 ILE 19 HD13 ILE 19 3.210 -13.888 5.878 177 H LEU 20 H LEU 20 0.540 -9.968 4.472 178 HA LEU 20 HA LEU 20 -1.533 -9.817 2.719 179 HB2 LEU 20 HB2 LEU 20 -0.609 -7.634 4.632 180 HB3 LEU 20 HB3 LEU 20 -2.213 -7.690 3.910 181 HG LEU 20 HG LEU 20 -1.105 -9.838 5.773 182 HD11 LEU 20 HD11 LEU 20 -1.321 -7.736 6.999 183 HD12 LEU 20 HD12 LEU 20 -2.541 -8.896 7.519 184 HD13 LEU 20 HD13 LEU 20 -2.994 -7.563 6.452 185 HD21 LEU 20 HD21 LEU 20 -3.941 -9.388 4.768 186 HD22 LEU 20 HD22 LEU 20 -3.431 -10.623 5.923 187 HD23 LEU 20 HD23 LEU 20 -2.850 -10.682 4.261 188 H TRP 21 H TRP 21 0.693 -7.011 3.072 189 HA TRP 21 HA TRP 21 0.209 -6.242 0.271 190 HB2 TRP 21 HB2 TRP 21 1.191 -4.670 2.664 191 HB3 TRP 21 HB3 TRP 21 1.376 -4.055 1.024 192 HD1 TRP 21 HD1 TRP 21 -1.406 -4.918 3.581 193 HE1 TRP 21 HE1 TRP 21 -3.534 -3.646 2.894 194 HE3 TRP 21 HE3 TRP 21 0.160 -3.051 -0.919 195 HZ2 TRP 21 HZ2 TRP 21 -4.445 -2.072 0.737 196 HZ3 TRP 21 HZ3 TRP 21 -1.404 -1.673 -2.239 197 HH2 TRP 21 HH2 TRP 21 -3.664 -1.195 -1.426 198 H SER 22 H SER 22 2.702 -7.714 2.189 199 HA SER 22 HA SER 22 5.007 -6.879 0.757 200 HB2 SER 22 HB2 SER 22 5.170 -8.159 2.873 201 HB3 SER 22 HB3 SER 22 4.562 -9.596 2.062 202 HG SER 22 HG SER 22 7.072 -8.662 2.178 203 H ALA 23 H ALA 23 2.424 -8.912 -0.212 204 HA ALA 23 HA ALA 23 3.438 -10.482 -2.275 205 HB1 ALA 23 HB1 ALA 23 1.129 -10.599 -1.420 206 HB2 ALA 23 HB2 ALA 23 1.149 -10.433 -3.179 207 HB3 ALA 23 HB3 ALA 23 0.771 -9.040 -2.163 208 H ILE 24 H ILE 24 2.897 -6.982 -2.253 209 HA ILE 24 HA ILE 24 2.866 -6.604 -5.088 210 HB ILE 24 HB ILE 24 2.872 -4.220 -4.688 211 HG12 ILE 24 HG12 ILE 24 3.803 -4.926 -1.870 212 HG13 ILE 24 HG13 ILE 24 4.623 -3.918 -3.050 213 HG21 ILE 24 HG21 ILE 24 0.909 -3.997 -3.213 214 HG22 ILE 24 HG22 ILE 24 1.206 -5.606 -2.552 215 HG23 ILE 24 HG23 ILE 24 0.760 -5.417 -4.250 216 HD11 ILE 24 HD11 ILE 24 3.746 -2.562 -1.300 217 HD12 ILE 24 HD12 ILE 24 2.136 -3.250 -1.492 218 HD13 ILE 24 HD13 ILE 24 2.819 -2.229 -2.764 219 H SER 25 H SER 25 5.474 -7.056 -2.887 220 HA SER 25 HA SER 25 7.511 -5.669 -4.406 221 HB2 SER 25 HB2 SER 25 9.097 -6.605 -2.847 222 HB3 SER 25 HB3 SER 25 7.660 -6.183 -1.925 223 HG SER 25 HG SER 25 7.364 -8.209 -1.450 224 H THR 26 H THR 26 6.036 -8.820 -4.506 225 HA THR 26 HA THR 26 7.986 -9.803 -6.496 226 HB THR 26 HB THR 26 6.863 -12.059 -6.168 227 HG1 THR 26 HG1 THR 26 5.783 -11.831 -3.824 228 HG21 THR 26 HG21 THR 26 8.972 -11.557 -5.029 229 HG22 THR 26 HG22 THR 26 7.930 -12.537 -3.993 230 HG23 THR 26 HG23 THR 26 8.097 -10.805 -3.687 231 HA PRO 27 HA PRO 27 5.026 -9.374 -9.896 232 HB2 PRO 27 HB2 PRO 27 5.847 -11.595 -11.393 233 HB3 PRO 27 HB3 PRO 27 6.645 -10.017 -11.417 234 HG2 PRO 27 HG2 PRO 27 7.346 -12.468 -9.791 235 HG3 PRO 27 HG3 PRO 27 8.424 -11.404 -10.727 236 HD2 PRO 27 HD2 PRO 27 8.249 -11.164 -8.084 237 HD3 PRO 27 HD3 PRO 27 8.331 -9.704 -9.095 238 H THR 28 H THR 28 5.553 -12.813 -8.944 239 HA THR 28 HA THR 28 3.072 -13.867 -9.523 240 HB THR 28 HB THR 28 4.972 -15.297 -9.021 241 HG1 THR 28 HG1 THR 28 2.570 -15.781 -8.252 242 HG21 THR 28 HG21 THR 28 4.735 -14.419 -6.115 243 HG22 THR 28 HG22 THR 28 6.056 -13.996 -7.211 244 HG23 THR 28 HG23 THR 28 5.806 -15.678 -6.730 245 H GLY 29 H GLY 29 4.023 -12.148 -6.567 246 HA2 GLY 29 HA2 GLY 29 1.625 -12.737 -5.071 247 HA3 GLY 29 HA3 GLY 29 2.851 -11.542 -4.669 248 H LEU 30 H LEU 30 2.727 -10.025 -7.066 249 HA LEU 30 HA LEU 30 0.615 -8.217 -6.464 250 HB2 LEU 30 HB2 LEU 30 3.020 -8.186 -8.008 251 HB3 LEU 30 HB3 LEU 30 1.747 -7.729 -9.117 252 HG LEU 30 HG LEU 30 2.352 -6.326 -6.502 253 HD11 LEU 30 HD11 LEU 30 3.010 -5.451 -9.321 254 HD12 LEU 30 HD12 LEU 30 4.163 -5.988 -8.097 255 HD13 LEU 30 HD13 LEU 30 3.255 -4.498 -7.853 256 HD21 LEU 30 HD21 LEU 30 0.830 -4.574 -7.270 257 HD22 LEU 30 HD22 LEU 30 -0.004 -6.116 -7.088 258 HD23 LEU 30 HD23 LEU 30 0.433 -5.536 -8.698 259 H GLU 31 H GLU 31 1.115 -10.401 -9.271 260 HA GLU 31 HA GLU 31 -1.210 -9.637 -10.712 261 HB2 GLU 31 HB2 GLU 31 -0.764 -11.558 -12.165 262 HB3 GLU 31 HB3 GLU 31 0.707 -10.666 -11.807 263 HG2 GLU 31 HG2 GLU 31 1.250 -12.420 -10.068 264 HG3 GLU 31 HG3 GLU 31 -0.128 -13.347 -10.669 265 H ASP 32 H ASP 32 -0.893 -11.717 -8.021 266 HA ASP 32 HA ASP 32 -3.090 -13.422 -8.220 267 HB2 ASP 32 HB2 ASP 32 -1.466 -13.645 -6.434 268 HB3 ASP 32 HB3 ASP 32 -1.815 -12.029 -5.831 269 H TRP 33 H TRP 33 -2.974 -9.996 -7.213 270 HA TRP 33 HA TRP 33 -5.932 -9.851 -7.151 271 HB2 TRP 33 HB2 TRP 33 -5.860 -8.595 -5.022 272 HB3 TRP 33 HB3 TRP 33 -5.202 -10.214 -4.842 273 HD1 TRP 33 HD1 TRP 33 -2.205 -9.975 -5.413 274 HE1 TRP 33 HE1 TRP 33 -0.655 -8.499 -4.001 275 HE3 TRP 33 HE3 TRP 33 -5.681 -6.761 -3.474 276 HZ2 TRP 33 HZ2 TRP 33 -0.861 -6.274 -2.278 277 HZ3 TRP 33 HZ3 TRP 33 -4.921 -4.985 -1.942 278 HH2 TRP 33 HH2 TRP 33 -2.558 -4.749 -1.356 279 H PHE 34 H PHE 34 -3.306 -8.627 -8.614 280 HA PHE 34 HA PHE 34 -4.710 -6.155 -9.364 281 HB2 PHE 34 HB2 PHE 34 -3.048 -5.510 -7.575 282 HB3 PHE 34 HB3 PHE 34 -1.758 -6.139 -8.585 283 HD1 PHE 34 HD2 PHE 34 -4.490 -3.572 -8.532 284 HD2 PHE 34 HD1 PHE 34 -0.739 -4.729 -10.244 285 HE1 PHE 34 HE2 PHE 34 -4.331 -1.401 -9.678 286 HE2 PHE 34 HE1 PHE 34 -0.596 -2.553 -11.384 287 HZ PHE 34 HZ PHE 34 -2.390 -0.890 -11.105 288 H ALA 35 H ALA 35 -4.732 -5.962 -11.528 289 HA ALA 35 HA ALA 35 -4.408 -6.234 -13.733 290 HB1 ALA 35 HB1 ALA 35 -2.175 -5.249 -13.312 291 HB2 ALA 35 HB2 ALA 35 -2.141 -6.406 -14.644 292 HB3 ALA 35 HB3 ALA 35 -1.513 -6.867 -13.060 293 H ASP 36 H ASP 36 -4.182 -7.796 -15.464 294 HA ASP 36 HA ASP 36 -5.019 -10.419 -14.801 295 HB2 ASP 36 HB2 ASP 36 -4.063 -9.180 -17.410 296 HB3 ASP 36 HB3 ASP 36 -4.618 -10.852 -17.308 297 H LYS 37 H LYS 37 -1.836 -9.116 -15.619 298 HA LYS 37 HA LYS 37 -0.505 -11.372 -14.386 299 HB2 LYS 37 HB2 LYS 37 -0.960 -11.958 -16.903 300 HB3 LYS 37 HB3 LYS 37 0.273 -10.764 -17.276 301 HG2 LYS 37 HG2 LYS 37 0.790 -13.150 -15.464 302 HG3 LYS 37 HG3 LYS 37 0.978 -13.225 -17.217 303 HD2 LYS 37 HD2 LYS 37 2.723 -11.481 -17.119 304 HD3 LYS 37 HD3 LYS 37 2.505 -11.341 -15.374 305 HE2 LYS 37 HE2 LYS 37 3.447 -13.851 -16.801 306 HE3 LYS 37 HE3 LYS 37 4.499 -12.685 -15.999 307 HZ1 LYS 37 HZ1 LYS 37 4.000 -14.648 -14.634 308 HZ2 LYS 37 HZ2 LYS 37 2.360 -14.237 -14.631 309 HZ3 LYS 37 HZ3 LYS 37 3.489 -13.211 -13.904 310 H VAL 38 H VAL 38 1.353 -10.629 -13.406 311 HA VAL 38 HA VAL 38 2.385 -7.949 -14.142 312 HB VAL 38 HB VAL 38 2.250 -9.253 -11.385 313 HG11 VAL 38 HG11 VAL 38 3.377 -7.206 -10.513 314 HG12 VAL 38 HG12 VAL 38 3.669 -6.671 -12.169 315 HG13 VAL 38 HG13 VAL 38 4.433 -8.148 -11.570 316 HG21 VAL 38 HG21 VAL 38 0.148 -8.154 -12.119 317 HG22 VAL 38 HG22 VAL 38 1.031 -6.654 -12.420 318 HG23 VAL 38 HG23 VAL 38 0.890 -7.279 -10.775 319 H VAL 39 H VAL 39 4.243 -8.112 -15.125 320 HA VAL 39 HA VAL 39 6.233 -10.190 -14.554 321 HB VAL 39 HB VAL 39 6.400 -7.892 -16.567 322 HG11 VAL 39 HG11 VAL 39 7.927 -10.527 -16.477 323 HG12 VAL 39 HG12 VAL 39 8.581 -8.937 -16.077 324 HG13 VAL 39 HG13 VAL 39 8.077 -9.292 -17.731 325 HG21 VAL 39 HG21 VAL 39 5.330 -10.695 -17.069 326 HG22 VAL 39 HG22 VAL 39 5.626 -9.473 -18.309 327 HG23 VAL 39 HG23 VAL 39 4.390 -9.198 -17.079 328 H SER 40 H SER 40 8.210 -9.727 -13.541 329 HA SER 40 HA SER 40 8.959 -6.903 -13.026 330 HB2 SER 40 HB2 SER 40 8.009 -7.774 -10.922 331 HB3 SER 40 HB3 SER 40 9.112 -9.145 -10.962 332 HG SER 40 HG SER 40 9.547 -6.905 -9.778 333 H ASP 41 H ASP 41 11.259 -6.658 -12.465 334 HA ASP 41 HA ASP 41 13.202 -8.584 -13.366 335 HB2 ASP 41 HB2 ASP 41 11.962 -7.581 -15.493 336 HB3 ASP 41 HB3 ASP 41 12.882 -6.127 -15.146 337 H ASP 42 H ASP 42 15.320 -6.870 -13.920 338 HA ASP 42 HA ASP 42 16.097 -5.640 -11.537 339 HB2 ASP 42 HB2 ASP 42 17.750 -6.278 -13.166 340 HB3 ASP 42 HB3 ASP 42 17.004 -5.287 -14.420 341 H LYS 43 H LYS 43 14.794 -4.186 -10.620 342 HA LYS 43 HA LYS 43 13.914 -2.222 -10.008 343 HB2 LYS 43 HB2 LYS 43 15.155 -1.156 -12.561 344 HB3 LYS 43 HB3 LYS 43 14.284 -0.128 -11.425 345 HG2 LYS 43 HG2 LYS 43 15.912 -0.680 -9.654 346 HG3 LYS 43 HG3 LYS 43 16.779 -1.745 -10.766 347 HD2 LYS 43 HD2 LYS 43 16.402 1.253 -11.208 348 HD3 LYS 43 HD3 LYS 43 17.829 0.534 -10.456 349 HE2 LYS 43 HE2 LYS 43 16.871 -0.091 -13.275 350 HE3 LYS 43 HE3 LYS 43 18.150 1.056 -12.877 351 HZ1 LYS 43 HZ1 LYS 43 18.215 -1.824 -12.157 352 HZ2 LYS 43 HZ2 LYS 43 19.467 -0.702 -11.977 353 HZ3 LYS 43 HZ3 LYS 43 18.964 -1.166 -13.521 354 H THR 44 H THR 44 12.992 -3.347 -13.238 355 HA THR 44 HA THR 44 10.642 -1.603 -13.360 356 HB THR 44 HB THR 44 11.566 -3.723 -15.351 357 HG1 THR 44 HG1 THR 44 12.294 -1.837 -16.535 358 HG21 THR 44 HG21 THR 44 10.100 -2.560 -16.971 359 HG22 THR 44 HG22 THR 44 9.549 -1.480 -15.690 360 HG23 THR 44 HG23 THR 44 9.167 -3.203 -15.614 361 H VAL 45 H VAL 45 8.690 -2.222 -12.674 362 HA VAL 45 HA VAL 45 7.863 -5.069 -12.779 363 HB VAL 45 HB VAL 45 6.786 -2.872 -10.929 364 HG11 VAL 45 HG11 VAL 45 5.297 -4.622 -9.982 365 HG12 VAL 45 HG12 VAL 45 5.847 -5.761 -11.213 366 HG13 VAL 45 HG13 VAL 45 4.930 -4.328 -11.686 367 HG21 VAL 45 HG21 VAL 45 7.625 -4.299 -9.102 368 HG22 VAL 45 HG22 VAL 45 8.939 -3.844 -10.188 369 HG23 VAL 45 HG23 VAL 45 8.244 -5.464 -10.277 370 H THR 46 H THR 46 6.961 -5.236 -14.732 371 HA THR 46 HA THR 46 5.247 -3.161 -15.891 372 HB THR 46 HB THR 46 6.183 -5.820 -17.074 373 HG1 THR 46 HG1 THR 46 8.014 -4.733 -17.120 374 HG21 THR 46 HG21 THR 46 4.153 -4.942 -18.211 375 HG22 THR 46 HG22 THR 46 5.567 -4.829 -19.260 376 HG23 THR 46 HG23 THR 46 4.958 -3.387 -18.447 377 H PHE 47 H PHE 47 3.149 -3.243 -15.187 378 HA PHE 47 HA PHE 47 1.755 -5.723 -14.580 379 HB2 PHE 47 HB2 PHE 47 0.354 -3.049 -14.943 380 HB3 PHE 47 HB3 PHE 47 -0.059 -4.374 -13.863 381 HD1 PHE 47 HD1 PHE 47 1.585 -4.812 -11.855 382 HD2 PHE 47 HD2 PHE 47 1.508 -1.188 -14.123 383 HE1 PHE 47 HE1 PHE 47 2.693 -3.620 -10.017 384 HE2 PHE 47 HE2 PHE 47 2.620 -0.010 -12.282 385 HZ PHE 47 HZ PHE 47 3.213 -1.223 -10.217 386 H CYS 48 H CYS 48 0.019 -6.564 -15.882 387 HA CYS 48 HA CYS 48 -0.360 -5.435 -18.587 388 HB2 CYS 48 HB2 CYS 48 1.393 -7.167 -18.805 389 HB3 CYS 48 HB3 CYS 48 0.335 -8.356 -18.046 390 HG CYS 48 HG CYS 48 -0.529 -9.204 -20.295 391 H TRP 49 H TRP 49 -2.415 -5.549 -19.302 392 HA TRP 49 HA TRP 49 -4.438 -7.039 -17.711 393 HB2 TRP 49 HB2 TRP 49 -4.707 -4.346 -19.111 394 HB3 TRP 49 HB3 TRP 49 -6.039 -5.208 -18.343 395 HD1 TRP 49 HD1 TRP 49 -6.050 -5.308 -15.645 396 HE1 TRP 49 HE1 TRP 49 -4.917 -3.834 -13.874 397 HE3 TRP 49 HE3 TRP 49 -2.568 -3.006 -18.606 398 HZ2 TRP 49 HZ2 TRP 49 -2.832 -1.955 -13.731 399 HZ3 TRP 49 HZ3 TRP 49 -1.033 -1.381 -17.571 400 HH2 TRP 49 HH2 TRP 49 -1.164 -0.867 -15.180 401 H GLY 50 H GLY 50 -2.922 -7.227 -20.604 402 HA2 GLY 50 HA2 GLY 50 -4.728 -9.006 -21.796 403 HA3 GLY 50 HA3 GLY 50 -5.026 -7.424 -22.509 404 H LYS 51 H LYS 51 -4.122 -7.341 -24.438 405 HA LYS 51 HA LYS 51 -1.676 -8.862 -25.072 406 HB2 LYS 51 HB2 LYS 51 -3.805 -7.659 -26.907 407 HB3 LYS 51 HB3 LYS 51 -2.362 -8.482 -27.478 408 HG2 LYS 51 HG2 LYS 51 -4.117 -10.067 -27.657 409 HG3 LYS 51 HG3 LYS 51 -3.170 -10.563 -26.257 410 HD2 LYS 51 HD2 LYS 51 -5.557 -10.805 -25.782 411 HD3 LYS 51 HD3 LYS 51 -4.878 -9.543 -24.755 412 HE2 LYS 51 HE2 LYS 51 -5.824 -7.817 -26.231 413 HE3 LYS 51 HE3 LYS 51 -6.453 -9.059 -27.314 414 HZ1 LYS 51 HZ1 LYS 51 -7.248 -8.781 -24.468 415 HZ2 LYS 51 HZ2 LYS 51 -7.943 -9.796 -25.629 416 HZ3 LYS 51 HZ3 LYS 51 -8.104 -8.119 -25.765 417 H THR 52 H THR 52 -3.145 -5.637 -25.624 418 HA THR 52 HA THR 52 -0.473 -4.441 -26.169 419 HB THR 52 HB THR 52 -1.709 -2.583 -27.280 420 HG1 THR 52 HG1 THR 52 -4.131 -3.597 -27.593 421 HG21 THR 52 HG21 THR 52 -1.034 -4.512 -28.677 422 HG22 THR 52 HG22 THR 52 -2.548 -3.810 -29.255 423 HG23 THR 52 HG23 THR 52 -2.570 -5.310 -28.322 424 H GLU 53 H GLU 53 -2.122 -4.933 -23.527 425 HA GLU 53 HA GLU 53 -2.252 -2.174 -22.462 426 HB2 GLU 53 HB2 GLU 53 -3.570 -4.741 -21.461 427 HB3 GLU 53 HB3 GLU 53 -3.741 -3.152 -20.715 428 HG2 GLU 53 HG2 GLU 53 -4.917 -2.305 -22.662 429 HG3 GLU 53 HG3 GLU 53 -4.619 -3.802 -23.545 430 H GLN 54 H GLN 54 -0.237 -1.756 -21.605 431 HA GLN 54 HA GLN 54 0.568 -3.326 -19.258 432 HB2 GLN 54 HB2 GLN 54 2.904 -3.494 -19.900 433 HB3 GLN 54 HB3 GLN 54 1.922 -4.209 -21.172 434 HG2 GLN 54 HG2 GLN 54 2.203 -2.198 -22.559 435 HG3 GLN 54 HG3 GLN 54 3.124 -1.424 -21.271 436 HE21 GLN 54 HE21 GLN 54 3.214 -3.788 -23.817 437 HE22 GLN 54 HE22 GLN 54 4.913 -4.078 -23.763 438 H ARG 55 H ARG 55 2.058 -2.241 -17.838 439 HA ARG 55 HA ARG 55 2.577 0.617 -18.175 440 HB2 ARG 55 HB2 ARG 55 0.262 0.412 -17.148 441 HB3 ARG 55 HB3 ARG 55 0.981 -0.451 -15.799 442 HG2 ARG 55 HG2 ARG 55 0.602 1.814 -15.115 443 HG3 ARG 55 HG3 ARG 55 2.345 1.587 -15.281 444 HD2 ARG 55 HD2 ARG 55 2.324 2.736 -17.439 445 HD3 ARG 55 HD3 ARG 55 0.559 2.853 -17.392 446 HE ARG 55 HE ARG 55 1.997 4.127 -15.207 447 HH11 ARG 55 HH11 ARG 55 0.422 4.582 -18.249 448 HH12 ARG 55 HH12 ARG 55 0.314 6.291 -18.054 449 HH21 ARG 55 HH21 ARG 55 1.813 6.308 -14.973 450 HH22 ARG 55 HH22 ARG 55 1.079 7.250 -16.214 451 H GLN 56 H GLN 56 4.712 0.751 -17.609 452 HA GLN 56 HA GLN 56 5.886 -1.288 -15.822 453 HB2 GLN 56 HB2 GLN 56 7.369 0.780 -17.500 454 HB3 GLN 56 HB3 GLN 56 8.038 -0.673 -16.746 455 HG2 GLN 56 HG2 GLN 56 6.532 -2.034 -18.268 456 HG3 GLN 56 HG3 GLN 56 6.106 -0.530 -19.086 457 HE21 GLN 56 HE21 GLN 56 8.588 -2.894 -18.553 458 HE22 GLN 56 HE22 GLN 56 9.664 -2.358 -19.790 459 H ALA 57 H ALA 57 6.931 -0.778 -13.904 460 HA ALA 57 HA ALA 57 6.971 2.023 -12.963 461 HB1 ALA 57 HB1 ALA 57 5.628 -0.235 -11.424 462 HB2 ALA 57 HB2 ALA 57 4.794 1.081 -12.255 463 HB3 ALA 57 HB3 ALA 57 5.831 1.432 -10.871 464 H GLY 58 H GLY 58 8.943 2.422 -12.228 465 HA2 GLY 58 HA2 GLY 58 10.793 0.352 -11.393 466 HA3 GLY 58 HA3 GLY 58 11.118 2.068 -11.542 467 H ILE 59 H ILE 59 11.195 -0.273 -9.337 468 HA ILE 59 HA ILE 59 10.064 1.025 -7.028 469 HB ILE 59 HB ILE 59 12.297 -1.077 -7.092 470 HG12 ILE 59 HG12 ILE 59 10.391 -2.590 -6.151 471 HG13 ILE 59 HG13 ILE 59 9.282 -1.351 -6.725 472 HG21 ILE 59 HG21 ILE 59 11.848 -1.376 -4.671 473 HG22 ILE 59 HG22 ILE 59 10.694 -0.040 -4.724 474 HG23 ILE 59 HG23 ILE 59 12.405 0.261 -5.039 475 HD11 ILE 59 HD11 ILE 59 11.201 -2.927 -8.425 476 HD12 ILE 59 HD12 ILE 59 10.047 -1.719 -9.001 477 HD13 ILE 59 HD13 ILE 59 9.471 -3.208 -8.257 478 H VAL 60 H VAL 60 10.794 2.972 -6.324 479 HA VAL 60 HA VAL 60 13.498 3.869 -6.935 480 HB VAL 60 HB VAL 60 12.782 6.053 -6.015 481 HG11 VAL 60 HG11 VAL 60 12.350 5.573 -8.395 482 HG12 VAL 60 HG12 VAL 60 11.076 6.598 -7.733 483 HG13 VAL 60 HG13 VAL 60 10.777 4.876 -7.988 484 HG21 VAL 60 HG21 VAL 60 10.107 4.710 -5.439 485 HG22 VAL 60 HG22 VAL 60 10.436 6.440 -5.300 486 HG23 VAL 60 HG23 VAL 60 11.253 5.300 -4.231 487 H ALA 61 H ALA 61 11.784 2.553 -4.195 488 HA ALA 61 HA ALA 61 14.213 1.929 -2.849 489 HB1 ALA 61 HB1 ALA 61 12.486 3.978 -1.408 490 HB2 ALA 61 HB2 ALA 61 14.085 4.275 -2.086 491 HB3 ALA 61 HB3 ALA 61 13.899 3.155 -0.737 492 H ILE 62 H ILE 62 13.958 0.372 -1.219 493 HA ILE 62 HA ILE 62 11.385 -0.424 -0.155 494 HB ILE 62 HB ILE 62 11.226 -1.525 -2.364 495 HG12 ILE 62 HG12 ILE 62 11.792 -3.559 -0.142 496 HG13 ILE 62 HG13 ILE 62 10.266 -2.729 -0.413 497 HG21 ILE 62 HG21 ILE 62 12.853 -3.235 -3.109 498 HG22 ILE 62 HG22 ILE 62 13.856 -2.914 -1.693 499 HG23 ILE 62 HG23 ILE 62 13.625 -1.659 -2.911 500 HD11 ILE 62 HD11 ILE 62 11.557 -4.727 -2.265 501 HD12 ILE 62 HD12 ILE 62 10.031 -3.885 -2.557 502 HD13 ILE 62 HD13 ILE 62 10.176 -5.000 -1.202 503 H ARG 63 H ARG 63 11.587 -1.884 1.630 504 HA ARG 63 HA ARG 63 14.100 -3.180 2.280 505 HB2 ARG 63 HB2 ARG 63 14.487 -0.889 3.161 506 HB3 ARG 63 HB3 ARG 63 13.027 -1.008 4.134 507 HG2 ARG 63 HG2 ARG 63 14.024 -2.765 5.504 508 HG3 ARG 63 HG3 ARG 63 15.450 -2.819 4.458 509 HD2 ARG 63 HD2 ARG 63 14.577 -0.482 6.201 510 HD3 ARG 63 HD3 ARG 63 15.948 -1.562 6.495 511 HE ARG 63 HE ARG 63 16.265 -0.405 3.961 512 HH11 ARG 63 HH11 ARG 63 16.390 0.596 7.263 513 HH12 ARG 63 HH12 ARG 63 17.441 1.919 6.924 514 HH21 ARG 63 HH21 ARG 63 17.591 1.259 3.545 515 HH22 ARG 63 HH22 ARG 63 18.129 2.283 4.824 516 H ALA 64 H ALA 64 13.159 -5.139 2.466 517 HA ALA 64 HA ALA 64 11.963 -6.905 3.176 518 HB1 ALA 64 HB1 ALA 64 12.096 -5.479 5.847 519 HB2 ALA 64 HB2 ALA 64 13.378 -6.474 5.149 520 HB3 ALA 64 HB3 ALA 64 11.837 -7.208 5.602 521 H TYR 65 H TYR 65 10.311 -4.840 5.518 522 HA TYR 65 HA TYR 65 7.790 -4.847 4.006 523 HB2 TYR 65 HB2 TYR 65 6.503 -5.847 5.772 524 HB3 TYR 65 HB3 TYR 65 7.871 -6.911 5.518 525 HD1 TYR 65 HD2 TYR 65 10.033 -5.710 7.164 526 HD2 TYR 65 HD1 TYR 65 5.856 -6.037 8.014 527 HE1 TYR 65 HE2 TYR 65 10.508 -5.605 9.578 528 HE2 TYR 65 HE1 TYR 65 6.326 -5.923 10.405 529 HH TYR 65 HH TYR 65 9.206 -4.902 11.696 530 H SER 66 H SER 66 10.056 -3.200 5.759 531 HA SER 66 HA SER 66 8.465 -1.527 7.472 532 HB2 SER 66 HB2 SER 66 11.398 -1.366 6.661 533 HB3 SER 66 HB3 SER 66 10.644 -0.355 7.899 534 HG SER 66 HG SER 66 10.426 -2.065 9.205 535 H PHE 67 H PHE 67 9.356 -1.370 4.141 536 HA PHE 67 HA PHE 67 7.585 0.659 3.535 537 HB2 PHE 67 HB2 PHE 67 8.998 2.553 2.768 538 HB3 PHE 67 HB3 PHE 67 9.092 2.318 4.503 539 HD1 PHE 67 HD1 PHE 67 10.975 1.973 1.306 540 HD2 PHE 67 HD2 PHE 67 11.214 1.822 5.575 541 HE1 PHE 67 HE1 PHE 67 13.423 2.050 1.175 542 HE2 PHE 67 HE2 PHE 67 13.670 1.905 5.432 543 HZ PHE 67 HZ PHE 67 14.775 2.024 3.233 544 H ILE 68 H ILE 68 7.123 0.686 1.400 545 HA ILE 68 HA ILE 68 9.118 0.073 -0.626 546 HB ILE 68 HB ILE 68 8.233 -2.173 -0.178 547 HG12 ILE 68 HG12 ILE 68 7.183 -1.050 -2.820 548 HG13 ILE 68 HG13 ILE 68 8.795 -1.696 -2.517 549 HG21 ILE 68 HG21 ILE 68 6.082 -1.615 0.842 550 HG22 ILE 68 HG22 ILE 68 5.868 -2.797 -0.448 551 HG23 ILE 68 HG23 ILE 68 5.442 -1.105 -0.724 552 HD11 ILE 68 HD11 ILE 68 6.226 -3.265 -2.476 553 HD12 ILE 68 HD12 ILE 68 7.836 -3.913 -2.154 554 HD13 ILE 68 HD13 ILE 68 7.446 -3.267 -3.747 555 H ARG 69 H ARG 69 8.794 1.336 -2.417 556 HA ARG 69 HA ARG 69 6.205 2.627 -2.866 557 HB2 ARG 69 HB2 ARG 69 7.181 4.922 -2.982 558 HB3 ARG 69 HB3 ARG 69 7.205 4.247 -1.363 559 HG2 ARG 69 HG2 ARG 69 9.656 4.104 -3.118 560 HG3 ARG 69 HG3 ARG 69 9.280 5.580 -2.229 561 HD2 ARG 69 HD2 ARG 69 9.557 2.869 -0.892 562 HD3 ARG 69 HD3 ARG 69 10.921 3.953 -1.151 563 HE ARG 69 HE ARG 69 8.561 4.720 0.462 564 HH11 ARG 69 HH11 ARG 69 11.993 4.676 0.036 565 HH12 ARG 69 HH12 ARG 69 12.298 5.396 1.570 566 HH21 ARG 69 HH21 ARG 69 8.997 5.610 2.454 567 HH22 ARG 69 HH22 ARG 69 10.635 5.921 2.909 568 H PHE 70 H PHE 70 5.746 2.855 -4.936 569 HA PHE 70 HA PHE 70 7.797 2.225 -6.985 570 HB2 PHE 70 HB2 PHE 70 4.754 2.018 -7.105 571 HB3 PHE 70 HB3 PHE 70 5.836 1.638 -8.439 572 HD1 PHE 70 HD2 PHE 70 4.722 0.553 -5.059 573 HD2 PHE 70 HD1 PHE 70 6.977 -0.491 -8.546 574 HE1 PHE 70 HE2 PHE 70 4.889 -1.768 -4.268 575 HE2 PHE 70 HE1 PHE 70 7.126 -2.811 -7.740 576 HZ PHE 70 HZ PHE 70 6.076 -3.449 -5.613 577 H HIS 71 H HIS 71 7.826 3.401 -8.949 578 HA HIS 71 HA HIS 71 5.964 5.625 -9.361 579 HB2 HIS 71 HB2 HIS 71 7.978 6.667 -8.284 580 HB3 HIS 71 HB3 HIS 71 8.993 6.023 -9.574 581 HD1 HIS 71 HD1 HIS 71 8.797 7.139 -11.902 582 HD2 HIS 71 HD2 HIS 71 6.425 8.914 -8.993 583 HE1 HIS 71 HE1 HIS 71 7.948 9.255 -12.933 584 HE2 HIS 71 HE2 HIS 71 6.302 10.144 -11.265 585 H TRP 72 H TRP 72 5.422 5.833 -11.521 586 HA TRP 72 HA TRP 72 5.955 3.559 -13.196 587 HB2 TRP 72 HB2 TRP 72 4.470 6.108 -13.988 588 HB3 TRP 72 HB3 TRP 72 4.329 4.518 -14.735 589 HD1 TRP 72 HD1 TRP 72 2.834 2.669 -13.410 590 HE1 TRP 72 HE1 TRP 72 1.064 2.916 -11.564 591 HE3 TRP 72 HE3 TRP 72 3.867 7.461 -11.905 592 HZ2 TRP 72 HZ2 TRP 72 0.222 4.857 -9.700 593 HZ3 TRP 72 HZ3 TRP 72 2.534 8.438 -10.076 594 HH2 TRP 72 HH2 TRP 72 0.745 7.159 -8.996 595 H LEU 73 H LEU 73 7.305 3.371 -14.957 596 HA LEU 73 HA LEU 73 9.544 5.139 -15.111 597 HB2 LEU 73 HB2 LEU 73 8.753 2.722 -16.764 598 HB3 LEU 73 HB3 LEU 73 10.279 3.574 -16.972 599 HG LEU 73 HG LEU 73 9.388 2.131 -14.436 600 HD11 LEU 73 HD11 LEU 73 9.952 0.565 -16.217 601 HD12 LEU 73 HD12 LEU 73 11.167 0.530 -14.943 602 HD13 LEU 73 HD13 LEU 73 11.510 1.364 -16.462 603 HD21 LEU 73 HD21 LEU 73 12.024 3.535 -15.023 604 HD22 LEU 73 HD22 LEU 73 11.660 2.575 -13.585 605 HD23 LEU 73 HD23 LEU 73 10.786 4.075 -13.883 606 H ASP 74 H ASP 74 6.757 4.602 -17.248 607 HA ASP 74 HA ASP 74 7.665 6.430 -19.301 608 HB2 ASP 74 HB2 ASP 74 5.378 6.121 -20.260 609 HB3 ASP 74 HB3 ASP 74 6.209 4.604 -19.952 610 H ASP 75 H ASP 75 5.937 6.785 -16.304 611 HA ASP 75 HA ASP 75 5.229 9.566 -16.739 612 HB2 ASP 75 HB2 ASP 75 3.897 8.285 -15.156 613 HB3 ASP 75 HB3 ASP 75 5.326 7.832 -14.235 614 H GLU 76 H GLU 76 6.581 11.283 -16.457 615 HA GLU 76 HA GLU 76 9.380 10.794 -15.687 616 HB2 GLU 76 HB2 GLU 76 9.830 13.011 -16.714 617 HB3 GLU 76 HB3 GLU 76 9.027 11.909 -17.829 618 HG2 GLU 76 HG2 GLU 76 6.894 13.052 -17.484 619 HG3 GLU 76 HG3 GLU 76 7.623 14.112 -16.278 620 H ASN 77 H ASN 77 6.546 12.587 -14.584 621 HA ASN 77 HA ASN 77 7.935 14.491 -12.954 622 HB2 ASN 77 HB2 ASN 77 5.699 14.969 -13.905 623 HB3 ASN 77 HB3 ASN 77 4.993 13.677 -12.942 624 HD21 ASN 77 HD21 ASN 77 6.420 16.877 -12.825 625 HD22 ASN 77 HD22 ASN 77 5.832 17.293 -11.255 626 H GLU 78 H GLU 78 9.198 13.636 -11.339 627 HA GLU 78 HA GLU 78 7.935 11.900 -9.292 628 HB2 GLU 78 HB2 GLU 78 10.884 12.630 -9.640 629 HB3 GLU 78 HB3 GLU 78 10.228 11.577 -8.386 630 HG2 GLU 78 HG2 GLU 78 9.415 10.054 -10.247 631 HG3 GLU 78 HG3 GLU 78 10.344 11.048 -11.369 632 H ARG 79 H ARG 79 6.677 14.082 -8.960 633 HA ARG 79 HA ARG 79 7.967 15.870 -7.040 634 HB2 ARG 79 HB2 ARG 79 6.097 16.612 -8.588 635 HB3 ARG 79 HB3 ARG 79 4.996 15.590 -7.670 636 HG2 ARG 79 HG2 ARG 79 5.911 17.035 -5.607 637 HG3 ARG 79 HG3 ARG 79 6.308 18.191 -6.881 638 HD2 ARG 79 HD2 ARG 79 4.120 18.725 -5.957 639 HD3 ARG 79 HD3 ARG 79 3.909 18.133 -7.606 640 HE ARG 79 HE ARG 79 2.984 16.139 -6.783 641 HH11 ARG 79 HH11 ARG 79 3.779 18.251 -4.141 642 HH12 ARG 79 HH12 ARG 79 2.871 17.320 -3.008 643 HH21 ARG 79 HH21 ARG 79 1.872 14.967 -5.294 644 HH22 ARG 79 HH22 ARG 79 1.814 15.486 -3.647 645 H ASP 80 H ASP 80 6.070 12.969 -7.068 646 HA ASP 80 HA ASP 80 6.278 12.535 -4.193 647 HB2 ASP 80 HB2 ASP 80 3.826 12.193 -3.935 648 HB3 ASP 80 HB3 ASP 80 4.214 13.854 -4.360 649 H TYR 81 H TYR 81 4.392 10.373 -4.121 650 HA TYR 81 HA TYR 81 5.177 8.361 -6.048 651 HB2 TYR 81 HB2 TYR 81 6.356 6.926 -4.303 652 HB3 TYR 81 HB3 TYR 81 7.241 8.372 -4.769 653 HD1 TYR 81 HD1 TYR 81 5.123 6.921 -2.044 654 HD2 TYR 81 HD2 TYR 81 7.842 10.033 -3.124 655 HE1 TYR 81 HE1 TYR 81 5.266 7.613 0.302 656 HE2 TYR 81 HE2 TYR 81 7.994 10.715 -0.767 657 HH TYR 81 HH TYR 81 6.734 8.779 1.785 658 H PHE 82 H PHE 82 4.479 6.070 -5.061 659 HA PHE 82 HA PHE 82 2.135 6.310 -3.246 660 HB2 PHE 82 HB2 PHE 82 1.615 5.693 -5.732 661 HB3 PHE 82 HB3 PHE 82 2.378 4.148 -5.393 662 HD1 PHE 82 HD2 PHE 82 1.357 2.683 -3.500 663 HD2 PHE 82 HD1 PHE 82 -0.667 6.071 -5.151 664 HE1 PHE 82 HE2 PHE 82 -0.778 1.848 -2.619 665 HE2 PHE 82 HE1 PHE 82 -2.796 5.223 -4.262 666 HZ PHE 82 HZ PHE 82 -2.854 3.113 -2.998 667 H GLU 83 H GLU 83 2.726 5.448 -1.318 668 HA GLU 83 HA GLU 83 4.677 3.198 -1.222 669 HB2 GLU 83 HB2 GLU 83 5.598 5.370 -0.439 670 HB3 GLU 83 HB3 GLU 83 4.340 5.474 0.784 671 HG2 GLU 83 HG2 GLU 83 5.256 3.404 1.841 672 HG3 GLU 83 HG3 GLU 83 6.544 3.382 0.634 673 H ILE 84 H ILE 84 4.334 1.548 0.164 674 HA ILE 84 HA ILE 84 2.167 1.644 2.172 675 HB ILE 84 HB ILE 84 2.736 -0.871 0.508 676 HG12 ILE 84 HG12 ILE 84 0.216 -0.430 -0.255 677 HG13 ILE 84 HG13 ILE 84 0.583 1.245 0.131 678 HG21 ILE 84 HG21 ILE 84 1.999 -1.342 2.794 679 HG22 ILE 84 HG22 ILE 84 0.737 -1.786 1.648 680 HG23 ILE 84 HG23 ILE 84 0.587 -0.299 2.586 681 HD11 ILE 84 HD11 ILE 84 2.357 1.247 -1.524 682 HD12 ILE 84 HD12 ILE 84 0.834 0.723 -2.242 683 HD13 ILE 84 HD13 ILE 84 2.079 -0.463 -1.855 684 H LYS 85 H LYS 85 2.872 0.888 4.157 685 HA LYS 85 HA LYS 85 5.129 -1.001 4.290 686 HB2 LYS 85 HB2 LYS 85 6.150 0.159 6.156 687 HB3 LYS 85 HB3 LYS 85 5.997 1.288 4.817 688 HG2 LYS 85 HG2 LYS 85 4.108 2.386 5.881 689 HG3 LYS 85 HG3 LYS 85 4.070 1.177 7.162 690 HD2 LYS 85 HD2 LYS 85 5.107 3.191 8.028 691 HD3 LYS 85 HD3 LYS 85 6.339 1.932 7.906 692 HE2 LYS 85 HE2 LYS 85 7.209 4.104 7.135 693 HE3 LYS 85 HE3 LYS 85 7.168 2.941 5.808 694 HZ1 LYS 85 HZ1 LYS 85 6.348 5.101 5.120 695 HZ2 LYS 85 HZ2 LYS 85 5.144 5.059 6.313 696 HZ3 LYS 85 HZ3 LYS 85 5.123 3.947 5.044 697 H MET 86 H MET 86 5.218 -2.118 6.414 698 HA MET 86 HA MET 86 2.902 -1.895 8.164 699 HB2 MET 86 HB2 MET 86 2.862 -4.448 8.430 700 HB3 MET 86 HB3 MET 86 2.140 -3.805 6.976 701 HG2 MET 86 HG2 MET 86 4.967 -4.548 6.628 702 HG3 MET 86 HG3 MET 86 3.921 -5.896 7.056 703 HE1 MET 86 HE1 MET 86 1.157 -5.046 5.763 704 HE2 MET 86 HE2 MET 86 1.829 -6.670 5.604 705 HE3 MET 86 HE3 MET 86 1.270 -5.805 4.175 706 H SER 87 H SER 87 3.438 -2.157 10.260 707 HA SER 87 HA SER 87 6.265 -2.803 10.943 708 HB2 SER 87 HB2 SER 87 5.840 -0.348 11.142 709 HB3 SER 87 HB3 SER 87 4.500 -0.669 12.245 710 HG SER 87 HG SER 87 5.982 -0.570 13.730 711 H TYR 88 H TYR 88 6.540 -4.100 12.784 712 HA TYR 88 HA TYR 88 4.056 -5.376 13.791 713 HB2 TYR 88 HB2 TYR 88 5.647 -6.911 12.651 714 HB3 TYR 88 HB3 TYR 88 6.911 -6.467 13.794 715 HD1 TYR 88 HD1 TYR 88 3.501 -8.017 13.600 716 HD2 TYR 88 HD2 TYR 88 7.111 -7.676 15.865 717 HE1 TYR 88 HE1 TYR 88 2.725 -9.789 15.109 718 HE2 TYR 88 HE2 TYR 88 6.332 -9.447 17.372 719 HH TYR 88 HH TYR 88 4.253 -10.478 18.085 720 H ASN 89 H ASN 89 3.598 -5.305 15.912 721 HA ASN 89 HA ASN 89 5.256 -3.692 17.727 722 HB2 ASN 89 HB2 ASN 89 2.371 -4.676 17.990 723 HB3 ASN 89 HB3 ASN 89 3.196 -3.607 19.122 724 HD21 ASN 89 HD21 ASN 89 1.636 -3.821 16.030 725 HD22 ASN 89 HD22 ASN 89 1.599 -2.135 15.718 726 H GLU 90 H GLU 90 6.717 -4.888 18.846 727 HA GLU 90 HA GLU 90 6.595 -7.704 19.217 728 HB2 GLU 90 HB2 GLU 90 8.408 -5.577 20.421 729 HB3 GLU 90 HB3 GLU 90 8.608 -7.286 20.769 730 HG2 GLU 90 HG2 GLU 90 10.196 -6.614 19.072 731 HG3 GLU 90 HG3 GLU 90 9.027 -7.741 18.384 732 H LEU 91 H LEU 91 5.546 -5.044 21.256 733 HA LEU 91 HA LEU 91 5.652 -6.539 23.752 734 HB2 LEU 91 HB2 LEU 91 4.541 -3.764 23.192 735 HB3 LEU 91 HB3 LEU 91 4.877 -4.447 24.779 736 HG LEU 91 HG LEU 91 6.970 -3.796 22.655 737 HD11 LEU 91 HD11 LEU 91 6.366 -2.354 25.256 738 HD12 LEU 91 HD12 LEU 91 6.016 -1.766 23.628 739 HD13 LEU 91 HD13 LEU 91 7.687 -1.986 24.141 740 HD21 LEU 91 HD21 LEU 91 8.650 -4.307 24.380 741 HD22 LEU 91 HD22 LEU 91 7.661 -5.719 24.017 742 HD23 LEU 91 HD23 LEU 91 7.375 -4.799 25.497 743 H THR 92 H THR 92 3.281 -6.015 21.297 744 HA THR 92 HA THR 92 1.155 -7.143 23.030 745 HB THR 92 HB THR 92 0.333 -4.968 22.780 746 HG1 THR 92 HG1 THR 92 -1.096 -5.514 20.576 747 HG21 THR 92 HG21 THR 92 0.312 -3.659 20.686 748 HG22 THR 92 HG22 THR 92 1.145 -4.975 19.856 749 HG23 THR 92 HG23 THR 92 1.956 -4.102 21.158 750 H GLY 93 H GLY 93 2.126 -6.775 19.571 751 HA2 GLY 93 HA2 GLY 93 2.716 -8.768 18.343 752 HA3 GLY 93 HA3 GLY 93 1.483 -9.660 19.209 753 H ASP 94 H ASP 94 1.337 -6.569 17.380 754 HA ASP 94 HA ASP 94 -0.378 -7.830 15.335 755 HB2 ASP 94 HB2 ASP 94 -2.000 -5.949 15.446 756 HB3 ASP 94 HB3 ASP 94 -1.940 -6.847 16.958 757 H TYR 95 H TYR 95 -0.887 -5.991 13.579 758 HA TYR 95 HA TYR 95 1.698 -4.721 12.866 759 HB2 TYR 95 HB2 TYR 95 -0.453 -6.023 11.173 760 HB3 TYR 95 HB3 TYR 95 0.636 -4.851 10.447 761 HD1 TYR 95 HD1 TYR 95 0.505 -8.183 12.134 762 HD2 TYR 95 HD2 TYR 95 2.887 -5.444 9.878 763 HE1 TYR 95 HE1 TYR 95 2.183 -9.941 11.763 764 HE2 TYR 95 HE2 TYR 95 4.559 -7.192 9.500 765 HH TYR 95 HH TYR 95 5.290 -9.332 10.616 766 H VAL 96 H VAL 96 1.735 -2.556 12.890 767 HA VAL 96 HA VAL 96 -0.573 -0.866 12.357 768 HB VAL 96 HB VAL 96 2.400 -0.127 12.524 769 HG11 VAL 96 HG11 VAL 96 1.621 2.229 12.746 770 HG12 VAL 96 HG12 VAL 96 -0.042 1.705 12.480 771 HG13 VAL 96 HG13 VAL 96 1.151 1.538 11.189 772 HG21 VAL 96 HG21 VAL 96 1.889 0.748 14.783 773 HG22 VAL 96 HG22 VAL 96 1.555 -0.981 14.684 774 HG23 VAL 96 HG23 VAL 96 0.224 0.176 14.636 775 H LEU 97 H LEU 97 -1.325 -1.221 10.305 776 HA LEU 97 HA LEU 97 0.513 -1.493 8.027 777 HB2 LEU 97 HB2 LEU 97 -1.348 -3.100 8.277 778 HB3 LEU 97 HB3 LEU 97 -2.511 -1.787 8.216 779 HG LEU 97 HG LEU 97 -1.864 -1.301 5.874 780 HD11 LEU 97 HD11 LEU 97 -0.375 -2.791 4.626 781 HD12 LEU 97 HD12 LEU 97 -0.025 -3.703 6.097 782 HD13 LEU 97 HD13 LEU 97 0.484 -2.019 5.962 783 HD21 LEU 97 HD21 LEU 97 -3.732 -2.836 6.292 784 HD22 LEU 97 HD22 LEU 97 -2.620 -4.208 6.332 785 HD23 LEU 97 HD23 LEU 97 -2.854 -3.302 4.832 786 H GLU 98 H GLU 98 1.117 0.326 7.070 787 HA GLU 98 HA GLU 98 -0.582 2.752 7.274 788 HB2 GLU 98 HB2 GLU 98 1.382 2.720 8.827 789 HB3 GLU 98 HB3 GLU 98 2.455 2.580 7.440 790 HG2 GLU 98 HG2 GLU 98 1.525 4.782 6.616 791 HG3 GLU 98 HG3 GLU 98 0.657 4.905 8.146 792 H ILE 99 H ILE 99 -1.331 3.148 5.245 793 HA ILE 99 HA ILE 99 0.395 2.815 2.872 794 HB ILE 99 HB ILE 99 -2.599 3.307 3.222 795 HG12 ILE 99 HG12 ILE 99 -2.809 1.204 1.827 796 HG13 ILE 99 HG13 ILE 99 -1.057 1.063 1.827 797 HG21 ILE 99 HG21 ILE 99 -2.841 3.375 0.734 798 HG22 ILE 99 HG22 ILE 99 -1.083 3.434 0.582 799 HG23 ILE 99 HG23 ILE 99 -1.944 4.763 1.363 800 HD11 ILE 99 HD11 ILE 99 -2.830 0.903 4.265 801 HD12 ILE 99 HD12 ILE 99 -1.076 0.679 4.218 802 HD13 ILE 99 HD13 ILE 99 -2.132 -0.463 3.390 803 H THR 100 H THR 100 1.645 4.559 2.325 804 HA THR 100 HA THR 100 0.829 7.295 3.058 805 HB THR 100 HB THR 100 3.477 6.274 1.951 806 HG1 THR 100 HG1 THR 100 3.024 7.321 4.546 807 HG21 THR 100 HG21 THR 100 4.390 8.495 2.547 808 HG22 THR 100 HG22 THR 100 2.775 9.046 2.997 809 HG23 THR 100 HG23 THR 100 3.135 8.646 1.315 810 H ASP 101 H ASP 101 -0.602 8.056 1.640 811 HA ASP 101 HA ASP 101 -0.055 8.062 -1.278 812 HB2 ASP 101 HB2 ASP 101 -2.065 6.737 -0.672 813 HB3 ASP 101 HB3 ASP 101 -2.721 8.098 0.230 814 H PHE 102 H PHE 102 -0.829 10.113 -2.373 815 HA PHE 102 HA PHE 102 -0.885 12.492 -0.579 816 HB2 PHE 102 HB2 PHE 102 0.173 12.265 -3.439 817 HB3 PHE 102 HB3 PHE 102 0.050 13.768 -2.538 818 HD1 PHE 102 HD2 PHE 102 1.702 10.398 -2.446 819 HD2 PHE 102 HD1 PHE 102 1.878 14.488 -1.195 820 HE1 PHE 102 HE2 PHE 102 3.959 10.030 -1.547 821 HE2 PHE 102 HE1 PHE 102 4.140 14.106 -0.303 822 HZ PHE 102 HZ PHE 102 5.181 11.880 -0.476 823 H SER 103 H SER 103 -2.868 13.469 -0.533 824 HA SER 103 HA SER 103 -4.686 13.240 -2.876 825 HB2 SER 103 HB2 SER 103 -6.590 13.057 -1.309 826 HB3 SER 103 HB3 SER 103 -5.433 11.756 -1.045 827 HG SER 103 HG SER 103 -5.006 14.011 0.505 828 H GLU 104 H GLU 104 -5.651 15.068 -3.594 829 HA GLU 104 HA GLU 104 -5.190 17.695 -2.679 830 HB2 GLU 104 HB2 GLU 104 -7.419 16.477 -4.359 831 HB3 GLU 104 HB3 GLU 104 -7.319 18.207 -4.063 832 HG2 GLU 104 HG2 GLU 104 -5.047 16.670 -5.323 833 HG3 GLU 104 HG3 GLU 104 -6.400 17.279 -6.279 834 H ALA 105 H ALA 105 -6.421 19.114 -1.353 835 HA ALA 105 HA ALA 105 -8.012 18.129 0.756 836 HB1 ALA 105 HB1 ALA 105 -7.941 20.960 -0.338 837 HB2 ALA 105 HB2 ALA 105 -6.836 20.291 0.862 838 HB3 ALA 105 HB3 ALA 105 -8.547 20.477 1.249 839 H ASP 106 H ASP 106 -8.876 18.939 -2.501 840 HA ASP 106 HA ASP 106 -11.677 19.261 -2.336 841 HB2 ASP 106 HB2 ASP 106 -10.261 19.862 -4.292 842 HB3 ASP 106 HB3 ASP 106 -9.931 18.160 -4.582 843 H GLU 107 H GLU 107 -9.670 16.370 -2.299 844 HA GLU 107 HA GLU 107 -12.047 14.580 -2.422 845 HB2 GLU 107 HB2 GLU 107 -10.608 12.940 -3.643 846 HB3 GLU 107 HB3 GLU 107 -10.843 14.446 -4.528 847 HG2 GLU 107 HG2 GLU 107 -8.591 15.212 -3.703 848 HG3 GLU 107 HG3 GLU 107 -8.357 13.609 -2.999 849 H ALA 108 H ALA 108 -9.558 15.614 -0.452 850 HA ALA 108 HA ALA 108 -8.469 13.246 0.677 851 HB1 ALA 108 HB1 ALA 108 -7.698 14.677 2.534 852 HB2 ALA 108 HB2 ALA 108 -8.759 15.980 1.983 853 HB3 ALA 108 HB3 ALA 108 -7.409 15.452 0.973 854 H ASP 109 H ASP 109 -11.419 15.003 1.325 855 HA ASP 109 HA ASP 109 -12.318 14.052 3.755 856 HB2 ASP 109 HB2 ASP 109 -13.905 14.573 1.209 857 HB3 ASP 109 HB3 ASP 109 -14.621 14.401 2.815 858 H ASP 110 H ASP 110 -12.702 12.478 0.560 859 HA ASP 110 HA ASP 110 -14.174 10.197 1.444 860 HB2 ASP 110 HB2 ASP 110 -14.227 10.912 -0.904 861 HB3 ASP 110 HB3 ASP 110 -12.496 10.633 -1.068 862 H LEU 111 H LEU 111 -10.710 10.790 0.941 863 HA LEU 111 HA LEU 111 -9.765 8.145 1.358 864 HB2 LEU 111 HB2 LEU 111 -8.471 10.878 1.472 865 HB3 LEU 111 HB3 LEU 111 -7.553 9.470 1.954 866 HG LEU 111 HG LEU 111 -6.994 10.055 -0.331 867 HD11 LEU 111 HD11 LEU 111 -8.638 7.511 -0.301 868 HD12 LEU 111 HD12 LEU 111 -6.957 7.681 0.212 869 HD13 LEU 111 HD13 LEU 111 -7.389 7.934 -1.478 870 HD21 LEU 111 HD21 LEU 111 -9.931 9.740 -1.032 871 HD22 LEU 111 HD22 LEU 111 -8.614 10.014 -2.179 872 HD23 LEU 111 HD23 LEU 111 -9.018 11.250 -0.990 873 H LYS 112 H LYS 112 -10.147 10.873 3.618 874 HA LYS 112 HA LYS 112 -9.104 9.567 5.933 875 HB2 LYS 112 HB2 LYS 112 -11.024 11.934 5.796 876 HB3 LYS 112 HB3 LYS 112 -10.099 11.439 7.214 877 HG2 LYS 112 HG2 LYS 112 -8.958 12.502 4.607 878 HG3 LYS 112 HG3 LYS 112 -9.084 13.389 6.128 879 HD2 LYS 112 HD2 LYS 112 -7.483 11.858 7.184 880 HD3 LYS 112 HD3 LYS 112 -7.419 10.869 5.721 881 HE2 LYS 112 HE2 LYS 112 -5.454 12.349 5.908 882 HE3 LYS 112 HE3 LYS 112 -6.412 12.731 4.479 883 HZ1 LYS 112 HZ1 LYS 112 -6.437 14.222 7.044 884 HZ2 LYS 112 HZ2 LYS 112 -7.391 14.576 5.699 885 HZ3 LYS 112 HZ3 LYS 112 -5.712 14.718 5.607 886 H GLU 113 H GLU 113 -12.354 9.845 4.572 887 HA GLU 113 HA GLU 113 -13.801 8.658 6.745 888 HB2 GLU 113 HB2 GLU 113 -14.676 10.159 4.809 889 HB3 GLU 113 HB3 GLU 113 -14.670 8.711 3.820 890 HG2 GLU 113 HG2 GLU 113 -16.259 8.978 6.393 891 HG3 GLU 113 HG3 GLU 113 -16.902 9.404 4.810 892 H LEU 114 H LEU 114 -12.436 7.402 3.708 893 HA LEU 114 HA LEU 114 -13.243 4.710 3.804 894 HB2 LEU 114 HB2 LEU 114 -12.252 5.734 1.801 895 HB3 LEU 114 HB3 LEU 114 -10.728 5.972 2.639 896 HG LEU 114 HG LEU 114 -10.433 3.479 2.748 897 HD11 LEU 114 HD11 LEU 114 -11.829 2.005 1.367 898 HD12 LEU 114 HD12 LEU 114 -12.910 3.354 1.007 899 HD13 LEU 114 HD13 LEU 114 -12.758 2.758 2.663 900 HD21 LEU 114 HD21 LEU 114 -9.348 4.758 0.961 901 HD22 LEU 114 HD22 LEU 114 -10.779 4.581 -0.059 902 HD23 LEU 114 HD23 LEU 114 -9.832 3.159 0.387 903 H TRP 115 H TRP 115 -10.312 6.273 5.055 904 HA TRP 115 HA TRP 115 -9.119 4.072 6.361 905 HB2 TRP 115 HB2 TRP 115 -7.823 6.089 6.033 906 HB3 TRP 115 HB3 TRP 115 -9.002 7.074 6.891 907 HD1 TRP 115 HD1 TRP 115 -6.353 4.323 7.655 908 HE1 TRP 115 HE1 TRP 115 -5.532 4.656 10.058 909 HE3 TRP 115 HE3 TRP 115 -9.485 8.106 9.104 910 HZ2 TRP 115 HZ2 TRP 115 -6.111 6.260 12.290 911 HZ3 TRP 115 HZ3 TRP 115 -9.288 8.978 11.400 912 HH2 TRP 115 HH2 TRP 115 -7.635 8.073 12.962 913 H ASP 116 H ASP 116 -11.337 6.582 7.640 914 HA ASP 116 HA ASP 116 -11.293 5.880 10.349 915 HB2 ASP 116 HB2 ASP 116 -12.105 8.057 9.454 916 HB3 ASP 116 HB3 ASP 116 -13.520 7.257 8.778 917 H SER 117 H SER 117 -13.573 4.903 7.799 918 HA SER 117 HA SER 117 -15.287 3.325 9.425 919 HB2 SER 117 HB2 SER 117 -15.999 4.190 7.216 920 HB3 SER 117 HB3 SER 117 -14.817 3.154 6.417 921 HG SER 117 HG SER 117 -17.182 2.472 6.733 922 H GLN 118 H GLN 118 -12.595 2.434 7.224 923 HA GLN 118 HA GLN 118 -12.806 -0.375 7.529 924 HB2 GLN 118 HB2 GLN 118 -11.681 0.822 5.640 925 HB3 GLN 118 HB3 GLN 118 -10.361 1.242 6.718 926 HG2 GLN 118 HG2 GLN 118 -9.688 -0.601 5.333 927 HG3 GLN 118 HG3 GLN 118 -9.843 -1.176 6.993 928 HE21 GLN 118 HE21 GLN 118 -10.028 -3.339 6.198 929 HE22 GLN 118 HE22 GLN 118 -11.487 -3.913 5.480 930 H VAL 119 H VAL 119 -10.835 2.000 9.295 931 HA VAL 119 HA VAL 119 -9.257 0.079 10.728 932 HB VAL 119 HB VAL 119 -8.537 2.479 10.260 933 HG11 VAL 119 HG11 VAL 119 -10.588 3.668 10.927 934 HG12 VAL 119 HG12 VAL 119 -9.183 4.278 11.806 935 HG13 VAL 119 HG13 VAL 119 -10.326 3.196 12.610 936 HG21 VAL 119 HG21 VAL 119 -8.311 1.574 13.154 937 HG22 VAL 119 HG22 VAL 119 -7.248 2.731 12.345 938 HG23 VAL 119 HG23 VAL 119 -7.278 1.044 11.821 939 H SER 120 H SER 120 -12.287 1.811 11.398 940 HA SER 120 HA SER 120 -12.730 0.910 14.049 941 HB2 SER 120 HB2 SER 120 -14.732 1.610 11.860 942 HB3 SER 120 HB3 SER 120 -15.178 1.305 13.539 943 HG SER 120 HG SER 120 -14.062 3.524 12.396 944 H LYS 121 H LYS 121 -13.708 -0.503 10.902 945 HA LYS 121 HA LYS 121 -15.158 -2.740 11.799 946 HB2 LYS 121 HB2 LYS 121 -13.450 -2.569 9.280 947 HB3 LYS 121 HB3 LYS 121 -14.771 -3.702 9.557 948 HG2 LYS 121 HG2 LYS 121 -16.403 -1.925 9.468 949 HG3 LYS 121 HG3 LYS 121 -15.140 -0.700 9.456 950 HD2 LYS 121 HD2 LYS 121 -15.855 -0.828 7.194 951 HD3 LYS 121 HD3 LYS 121 -14.339 -1.734 7.229 952 HE2 LYS 121 HE2 LYS 121 -15.968 -2.958 5.906 953 HE3 LYS 121 HE3 LYS 121 -15.676 -3.854 7.399 954 HZ1 LYS 121 HZ1 LYS 121 -18.040 -3.703 6.815 955 HZ2 LYS 121 HZ2 LYS 121 -17.967 -2.020 6.943 956 HZ3 LYS 121 HZ3 LYS 121 -17.704 -2.982 8.306 957 H LEU 122 H LEU 122 -11.701 -2.502 10.912 958 HA LEU 122 HA LEU 122 -10.895 -5.145 11.440 959 HB2 LEU 122 HB2 LEU 122 -9.496 -2.517 11.122 960 HB3 LEU 122 HB3 LEU 122 -8.571 -3.778 11.914 961 HG LEU 122 HG LEU 122 -8.768 -5.234 9.960 962 HD11 LEU 122 HD11 LEU 122 -9.789 -4.513 7.858 963 HD12 LEU 122 HD12 LEU 122 -10.382 -3.043 8.635 964 HD13 LEU 122 HD13 LEU 122 -10.982 -4.621 9.152 965 HD21 LEU 122 HD21 LEU 122 -6.894 -3.639 10.058 966 HD22 LEU 122 HD22 LEU 122 -7.849 -2.458 9.150 967 HD23 LEU 122 HD23 LEU 122 -7.378 -3.984 8.394 968 H ARG 123 H ARG 123 -11.203 -2.383 13.607 969 HA ARG 123 HA ARG 123 -9.961 -3.574 15.881 970 HB2 ARG 123 HB2 ARG 123 -10.277 -1.096 15.436 971 HB3 ARG 123 HB3 ARG 123 -11.979 -1.292 15.845 972 HG2 ARG 123 HG2 ARG 123 -11.406 -1.917 18.128 973 HG3 ARG 123 HG3 ARG 123 -9.685 -1.924 17.733 974 HD2 ARG 123 HD2 ARG 123 -9.833 0.527 17.244 975 HD3 ARG 123 HD3 ARG 123 -11.524 0.494 17.764 976 HE ARG 123 HE ARG 123 -9.626 -0.514 19.707 977 HH11 ARG 123 HH11 ARG 123 -11.385 2.274 18.656 978 HH12 ARG 123 HH12 ARG 123 -11.105 3.136 20.129 979 HH21 ARG 123 HH21 ARG 123 -9.290 0.583 21.572 980 HH22 ARG 123 HH22 ARG 123 -9.918 2.183 21.765 981 H ARG 124 H ARG 124 -13.313 -3.589 14.668 982 HA ARG 124 HA ARG 124 -14.457 -4.746 17.078 983 HB2 ARG 124 HB2 ARG 124 -15.796 -4.836 14.348 984 HB3 ARG 124 HB3 ARG 124 -16.549 -4.824 15.943 985 HG2 ARG 124 HG2 ARG 124 -15.628 -2.415 16.148 986 HG3 ARG 124 HG3 ARG 124 -15.303 -2.532 14.412 987 HD2 ARG 124 HD2 ARG 124 -17.987 -2.644 15.821 988 HD3 ARG 124 HD3 ARG 124 -17.425 -1.458 14.640 989 HE ARG 124 HE ARG 124 -17.385 -3.662 13.150 990 HH11 ARG 124 HH11 ARG 124 -19.850 -2.602 15.336 991 HH12 ARG 124 HH12 ARG 124 -21.117 -3.335 14.426 992 HH21 ARG 124 HH21 ARG 124 -19.028 -4.633 12.029 993 HH22 ARG 124 HH22 ARG 124 -20.659 -4.479 12.584 994 H THR 125 H THR 125 -13.511 -5.962 13.858 995 HA THR 125 HA THR 125 -14.485 -8.645 14.318 996 HB THR 125 HB THR 125 -14.510 -7.593 12.032 997 HG1 THR 125 HG1 THR 125 -12.980 -10.007 12.162 998 HG21 THR 125 HG21 THR 125 -12.477 -7.568 10.658 999 HG22 THR 125 HG22 THR 125 -11.509 -8.123 12.024 1000 HG23 THR 125 HG23 THR 125 -12.257 -6.524 12.063 1001 H CYS 126 H CYS 126 -11.433 -7.025 14.783 1002 HA CYS 126 HA CYS 126 -9.301 -7.627 15.239 1003 HB2 CYS 126 HB2 CYS 126 -10.267 -8.637 17.253 1004 HB3 CYS 126 HB3 CYS 126 -10.629 -10.117 16.376 1005 HG CYS 126 HG CYS 126 -8.498 -10.638 18.078 1006 H GLY 127 H GLY 127 -8.947 -7.663 12.918 1007 HA2 GLY 127 HA2 GLY 127 -7.374 -9.581 11.833 1008 HA3 GLY 127 HA3 GLY 127 -8.981 -10.187 11.456 1009 H PHE 128 H PHE 128 -9.340 -9.803 9.325 1010 HA PHE 128 HA PHE 128 -9.338 -7.082 8.281 1011 HB2 PHE 128 HB2 PHE 128 -6.991 -7.904 7.870 1012 HB3 PHE 128 HB3 PHE 128 -7.638 -9.225 6.912 1013 HD1 PHE 128 HD2 PHE 128 -7.774 -5.462 7.087 1014 HD2 PHE 128 HD1 PHE 128 -7.713 -8.928 4.576 1015 HE1 PHE 128 HE2 PHE 128 -7.697 -4.023 5.094 1016 HE2 PHE 128 HE1 PHE 128 -7.636 -7.482 2.589 1017 HZ PHE 128 HZ PHE 128 -7.629 -5.030 2.845 1018 H LEU 129 H LEU 129 -10.693 -6.823 6.466 1019 HA LEU 129 HA LEU 129 -12.261 -9.189 5.607 1020 HB2 LEU 129 HB2 LEU 129 -13.083 -6.251 5.579 1021 HB3 LEU 129 HB3 LEU 129 -14.037 -7.560 4.909 1022 HG LEU 129 HG LEU 129 -15.062 -7.093 6.972 1023 HD11 LEU 129 HD11 LEU 129 -14.793 -9.071 8.350 1024 HD12 LEU 129 HD12 LEU 129 -13.248 -9.437 7.577 1025 HD13 LEU 129 HD13 LEU 129 -14.743 -9.495 6.639 1026 HD21 LEU 129 HD21 LEU 129 -13.911 -6.842 9.131 1027 HD22 LEU 129 HD22 LEU 129 -13.394 -5.633 7.960 1028 HD23 LEU 129 HD23 LEU 129 -12.348 -7.010 8.321 1029 H GLU 130 H GLU 130 -12.015 -9.879 3.598 1030 HA GLU 130 HA GLU 130 -10.437 -8.808 1.531 1031 HB2 GLU 130 HB2 GLU 130 -11.155 -11.177 1.625 1032 HB3 GLU 130 HB3 GLU 130 -12.833 -10.697 1.406 1033 HG2 GLU 130 HG2 GLU 130 -12.040 -9.731 -0.878 1034 HG3 GLU 130 HG3 GLU 130 -10.585 -10.691 -0.618 1035 H HIS 131 H HIS 131 -13.793 -8.290 2.378 1036 HA HIS 131 HA HIS 131 -14.813 -7.209 -0.022 1037 HB2 HIS 131 HB2 HIS 131 -16.164 -8.222 1.796 1038 HB3 HIS 131 HB3 HIS 131 -15.790 -6.852 2.835 1039 HD1 HIS 131 HD1 HIS 131 -17.588 -5.149 2.888 1040 HD2 HIS 131 HD2 HIS 131 -17.606 -7.263 -0.690 1041 HE1 HIS 131 HE1 HIS 131 -19.537 -4.252 1.597 1042 HE2 HIS 131 HE2 HIS 131 -19.614 -5.644 -0.495 1043 H HIS 132 H HIS 132 -12.505 -5.732 1.960 1044 HA HIS 132 HA HIS 132 -13.075 -3.004 1.881 1045 HB2 HIS 132 HB2 HIS 132 -11.072 -3.810 3.013 1046 HB3 HIS 132 HB3 HIS 132 -10.402 -4.429 1.507 1047 HD1 HIS 132 HD1 HIS 132 -8.831 -2.891 0.310 1048 HD2 HIS 132 HD2 HIS 132 -11.250 -0.824 2.987 1049 HE1 HIS 132 HE1 HIS 132 -8.016 -0.516 0.259 1050 HE2 HIS 132 HE2 HIS 132 -9.400 0.679 1.981 1051 H HIS 133 H HIS 133 -11.762 -5.084 -0.737 1052 HA HIS 133 HA HIS 133 -12.029 -2.868 -2.662 1053 HB2 HIS 133 HB2 HIS 133 -10.849 -4.291 -4.277 1054 HB3 HIS 133 HB3 HIS 133 -9.931 -4.120 -2.796 1055 HD1 HIS 133 HD1 HIS 133 -9.598 -6.273 -1.353 1056 HD2 HIS 133 HD2 HIS 133 -11.600 -6.914 -4.932 1057 HE1 HIS 133 HE1 HIS 133 -9.556 -8.754 -1.704 1058 HE2 HIS 133 HE2 HIS 133 -10.896 -9.123 -3.791 1059 H HIS 134 H HIS 134 -13.919 -2.597 -3.640 1060 HA HIS 134 HA HIS 134 -15.740 -4.852 -4.196 1061 HB2 HIS 134 HB2 HIS 134 -16.685 -2.717 -3.299 1062 HB3 HIS 134 HB3 HIS 134 -16.092 -1.862 -4.718 1063 HD1 HIS 134 HD1 HIS 134 -17.651 -1.776 -6.689 1064 HD2 HIS 134 HD2 HIS 134 -18.762 -4.694 -3.953 1065 HE1 HIS 134 HE1 HIS 134 -19.852 -2.642 -7.503 1066 HE2 HIS 134 HE2 HIS 134 -20.576 -4.289 -5.754 1067 H HIS 135 H HIS 135 -15.935 -5.739 -6.226 1068 HA HIS 135 HA HIS 135 -15.399 -6.410 -8.301 1069 HB2 HIS 135 HB2 HIS 135 -16.178 -4.293 -9.193 1070 HB3 HIS 135 HB3 HIS 135 -14.694 -3.475 -8.735 1071 HD1 HIS 135 HD1 HIS 135 -12.821 -3.458 -10.417 1072 HD2 HIS 135 HD2 HIS 135 -15.877 -6.073 -11.485 1073 HE1 HIS 135 HE1 HIS 135 -12.299 -4.177 -12.762 1074 HE2 HIS 135 HE2 HIS 135 -14.060 -5.874 -13.317 1075 H HIS 136 H HIS 136 -13.693 -7.588 -9.074 1076 HA HIS 136 HA HIS 136 -11.216 -7.606 -7.623 1077 HB2 HIS 136 HB2 HIS 136 -11.974 -9.104 -10.169 1078 HB3 HIS 136 HB3 HIS 136 -10.545 -9.432 -9.201 1079 HD1 HIS 136 HD1 HIS 136 -10.918 -10.637 -6.915 1080 HD2 HIS 136 HD2 HIS 136 -14.348 -10.213 -9.205 1081 HE1 HIS 136 HE1 HIS 136 -12.588 -12.214 -5.910 1082 HE2 HIS 136 HE2 HIS 136 -14.560 -12.109 -7.464 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -6.223 18.644 -9.053 2 H2 MET 1 H2 MET 1 -5.370 18.776 -10.511 3 H3 MET 1 H3 MET 1 -6.961 19.332 -10.407 4 HA MET 1 HA MET 1 -5.418 21.175 -10.375 5 HB2 MET 1 HB2 MET 1 -6.732 20.746 -7.658 6 HB3 MET 1 HB3 MET 1 -6.261 22.298 -8.337 7 HG2 MET 1 HG2 MET 1 -7.937 22.080 -10.081 8 HG3 MET 1 HG3 MET 1 -8.360 20.463 -9.515 9 HE1 MET 1 HE1 MET 1 -9.668 19.978 -7.221 10 HE2 MET 1 HE2 MET 1 -10.057 21.231 -6.043 11 HE3 MET 1 HE3 MET 1 -8.376 20.778 -6.324 12 H LYS 2 H LYS 2 -5.100 19.765 -7.062 13 HA LYS 2 HA LYS 2 -2.212 19.518 -7.280 14 HB2 LYS 2 HB2 LYS 2 -2.427 21.934 -6.785 15 HB3 LYS 2 HB3 LYS 2 -3.419 21.574 -5.372 16 HG2 LYS 2 HG2 LYS 2 -1.475 20.372 -4.352 17 HG3 LYS 2 HG3 LYS 2 -0.496 20.831 -5.752 18 HD2 LYS 2 HD2 LYS 2 -0.867 23.234 -5.180 19 HD3 LYS 2 HD3 LYS 2 -1.791 22.732 -3.758 20 HE2 LYS 2 HE2 LYS 2 0.215 21.623 -2.843 21 HE3 LYS 2 HE3 LYS 2 1.137 22.095 -4.273 22 HZ1 LYS 2 HZ1 LYS 2 1.546 23.565 -2.416 23 HZ2 LYS 2 HZ2 LYS 2 -0.093 23.956 -2.314 24 HZ3 LYS 2 HZ3 LYS 2 0.801 24.407 -3.680 25 H LYS 3 H LYS 3 -1.756 17.690 -6.264 26 HA LYS 3 HA LYS 3 -3.432 16.489 -4.215 27 HB2 LYS 3 HB2 LYS 3 -0.838 15.598 -5.537 28 HB3 LYS 3 HB3 LYS 3 -1.728 14.623 -4.375 29 HG2 LYS 3 HG2 LYS 3 -3.120 15.581 -6.870 30 HG3 LYS 3 HG3 LYS 3 -1.994 14.225 -6.973 31 HD2 LYS 3 HD2 LYS 3 -3.381 13.176 -5.060 32 HD3 LYS 3 HD3 LYS 3 -4.595 14.409 -5.409 33 HE2 LYS 3 HE2 LYS 3 -4.939 13.528 -7.629 34 HE3 LYS 3 HE3 LYS 3 -3.531 12.468 -7.494 35 HZ1 LYS 3 HZ1 LYS 3 -5.990 12.244 -5.849 36 HZ2 LYS 3 HZ2 LYS 3 -4.657 11.192 -5.815 37 HZ3 LYS 3 HZ3 LYS 3 -5.627 11.289 -7.190 38 H GLU 4 H GLU 4 -2.784 15.986 -2.110 39 HA GLU 4 HA GLU 4 -0.368 17.311 -0.986 40 HB2 GLU 4 HB2 GLU 4 -2.456 18.414 -0.228 41 HB3 GLU 4 HB3 GLU 4 -3.091 16.869 0.331 42 HG2 GLU 4 HG2 GLU 4 -1.197 16.751 1.971 43 HG3 GLU 4 HG3 GLU 4 -0.705 18.366 1.460 44 H LYS 5 H LYS 5 0.902 16.075 0.432 45 HA LYS 5 HA LYS 5 0.753 13.230 0.255 46 HB2 LYS 5 HB2 LYS 5 2.857 14.694 0.519 47 HB3 LYS 5 HB3 LYS 5 2.479 14.791 2.229 48 HG2 LYS 5 HG2 LYS 5 2.889 12.139 0.800 49 HG3 LYS 5 HG3 LYS 5 4.234 13.055 1.464 50 HD2 LYS 5 HD2 LYS 5 1.883 11.977 3.077 51 HD3 LYS 5 HD3 LYS 5 3.473 11.219 2.965 52 HE2 LYS 5 HE2 LYS 5 4.500 13.173 4.051 53 HE3 LYS 5 HE3 LYS 5 2.932 13.982 4.109 54 HZ1 LYS 5 HZ1 LYS 5 3.532 12.947 6.206 55 HZ2 LYS 5 HZ2 LYS 5 3.580 11.430 5.467 56 HZ3 LYS 5 HZ3 LYS 5 2.119 12.276 5.566 57 H ILE 6 H ILE 6 -0.224 11.811 1.534 58 HA ILE 6 HA ILE 6 -1.085 12.452 4.276 59 HB ILE 6 HB ILE 6 -3.267 11.406 4.037 60 HG12 ILE 6 HG12 ILE 6 -2.648 10.925 1.082 61 HG13 ILE 6 HG13 ILE 6 -2.684 9.681 2.326 62 HG21 ILE 6 HG21 ILE 6 -2.916 13.449 1.811 63 HG22 ILE 6 HG22 ILE 6 -3.195 13.805 3.517 64 HG23 ILE 6 HG23 ILE 6 -4.449 13.004 2.571 65 HD11 ILE 6 HD11 ILE 6 -4.706 9.637 1.007 66 HD12 ILE 6 HD12 ILE 6 -5.042 11.323 1.395 67 HD13 ILE 6 HD13 ILE 6 -5.084 10.098 2.667 68 H HIS 7 H HIS 7 -1.813 10.305 5.377 69 HA HIS 7 HA HIS 7 -0.361 7.944 4.517 70 HB2 HIS 7 HB2 HIS 7 0.839 7.671 6.703 71 HB3 HIS 7 HB3 HIS 7 1.422 9.028 5.752 72 HD1 HIS 7 HD1 HIS 7 0.300 8.160 9.081 73 HD2 HIS 7 HD2 HIS 7 0.398 11.617 6.783 74 HE1 HIS 7 HE1 HIS 7 0.038 10.054 10.708 75 HE2 HIS 7 HE2 HIS 7 0.102 12.135 9.300 76 H LEU 8 H LEU 8 -1.824 6.356 4.698 77 HA LEU 8 HA LEU 8 -4.104 6.605 6.543 78 HB2 LEU 8 HB2 LEU 8 -3.681 4.767 4.147 79 HB3 LEU 8 HB3 LEU 8 -5.163 4.895 5.085 80 HG LEU 8 HG LEU 8 -3.960 7.096 3.350 81 HD11 LEU 8 HD11 LEU 8 -4.926 5.291 2.015 82 HD12 LEU 8 HD12 LEU 8 -5.888 6.761 1.879 83 HD13 LEU 8 HD13 LEU 8 -6.453 5.429 2.893 84 HD21 LEU 8 HD21 LEU 8 -5.107 8.074 5.283 85 HD22 LEU 8 HD22 LEU 8 -6.559 7.133 4.929 86 HD23 LEU 8 HD23 LEU 8 -6.012 8.379 3.802 87 H GLU 9 H GLU 9 -4.060 5.457 8.388 88 HA GLU 9 HA GLU 9 -2.130 3.247 8.734 89 HB2 GLU 9 HB2 GLU 9 -2.008 5.217 10.283 90 HB3 GLU 9 HB3 GLU 9 -3.637 4.858 10.850 91 HG2 GLU 9 HG2 GLU 9 -2.795 2.619 11.640 92 HG3 GLU 9 HG3 GLU 9 -1.168 3.120 11.180 93 H TYR 10 H TYR 10 -2.898 1.258 8.609 94 HA TYR 10 HA TYR 10 -5.607 0.543 9.575 95 HB2 TYR 10 HB2 TYR 10 -3.820 -1.039 7.656 96 HB3 TYR 10 HB3 TYR 10 -5.512 -1.353 8.032 97 HD1 TYR 10 HD1 TYR 10 -7.296 0.013 6.997 98 HD2 TYR 10 HD2 TYR 10 -3.196 0.789 6.088 99 HE1 TYR 10 HE1 TYR 10 -7.980 1.384 5.079 100 HE2 TYR 10 HE2 TYR 10 -3.885 2.164 4.166 101 HH TYR 10 HH TYR 10 -5.817 2.402 2.666 102 H LEU 11 H LEU 11 -5.649 -0.817 11.381 103 HA LEU 11 HA LEU 11 -3.168 -2.124 12.274 104 HB2 LEU 11 HB2 LEU 11 -5.872 -2.458 13.623 105 HB3 LEU 11 HB3 LEU 11 -4.284 -2.709 14.299 106 HG LEU 11 HG LEU 11 -4.002 -0.122 14.098 107 HD11 LEU 11 HD11 LEU 11 -6.105 1.188 14.186 108 HD12 LEU 11 HD12 LEU 11 -7.029 -0.278 13.833 109 HD13 LEU 11 HD13 LEU 11 -5.900 0.368 12.638 110 HD21 LEU 11 HD21 LEU 11 -6.004 -1.263 16.083 111 HD22 LEU 11 HD22 LEU 11 -5.106 0.246 16.275 112 HD23 LEU 11 HD23 LEU 11 -4.245 -1.291 16.251 113 H LEU 12 H LEU 12 -2.821 -4.350 12.029 114 HA LEU 12 HA LEU 12 -5.034 -6.058 11.088 115 HB2 LEU 12 HB2 LEU 12 -3.551 -5.021 9.150 116 HB3 LEU 12 HB3 LEU 12 -2.361 -6.206 9.643 117 HG LEU 12 HG LEU 12 -3.722 -6.907 7.664 118 HD11 LEU 12 HD11 LEU 12 -4.217 -9.193 8.324 119 HD12 LEU 12 HD12 LEU 12 -4.156 -8.747 10.032 120 HD13 LEU 12 HD13 LEU 12 -2.699 -8.656 9.040 121 HD21 LEU 12 HD21 LEU 12 -6.080 -6.968 9.575 122 HD22 LEU 12 HD22 LEU 12 -6.081 -7.546 7.907 123 HD23 LEU 12 HD23 LEU 12 -5.843 -5.834 8.242 124 H ASN 13 H ASN 13 -5.080 -7.868 12.240 125 HA ASN 13 HA ASN 13 -3.187 -8.772 14.110 126 HB2 ASN 13 HB2 ASN 13 -4.530 -10.951 13.996 127 HB3 ASN 13 HB3 ASN 13 -5.451 -9.491 14.342 128 HD21 ASN 13 HD21 ASN 13 -4.980 -12.074 12.095 129 HD22 ASN 13 HD22 ASN 13 -6.241 -11.624 11.005 130 H ALA 14 H ALA 14 -1.112 -9.043 13.406 131 HA ALA 14 HA ALA 14 -0.470 -11.099 11.435 132 HB1 ALA 14 HB1 ALA 14 0.231 -8.188 10.923 133 HB2 ALA 14 HB2 ALA 14 -0.959 -9.146 10.037 134 HB3 ALA 14 HB3 ALA 14 0.752 -9.567 9.952 135 H THR 15 H THR 15 0.483 -12.033 13.282 136 HA THR 15 HA THR 15 2.753 -10.902 14.633 137 HB THR 15 HB THR 15 3.075 -13.284 15.491 138 HG1 THR 15 HG1 THR 15 2.048 -14.827 14.504 139 HG21 THR 15 HG21 THR 15 0.291 -12.113 15.841 140 HG22 THR 15 HG22 THR 15 1.721 -11.674 16.777 141 HG23 THR 15 HG23 THR 15 1.051 -13.301 16.905 142 H SER 16 H SER 16 4.303 -10.295 13.174 143 HA SER 16 HA SER 16 6.034 -10.340 11.716 144 HB2 SER 16 HB2 SER 16 6.188 -13.264 12.559 145 HB3 SER 16 HB3 SER 16 7.431 -12.449 11.610 146 HG SER 16 HG SER 16 6.555 -11.701 14.207 147 H LYS 17 H LYS 17 3.358 -10.791 10.680 148 HA LYS 17 HA LYS 17 3.626 -12.652 8.400 149 HB2 LYS 17 HB2 LYS 17 1.668 -12.772 9.994 150 HB3 LYS 17 HB3 LYS 17 1.186 -11.169 9.470 151 HG2 LYS 17 HG2 LYS 17 0.797 -12.046 7.181 152 HG3 LYS 17 HG3 LYS 17 1.268 -13.656 7.735 153 HD2 LYS 17 HD2 LYS 17 -0.632 -13.635 9.354 154 HD3 LYS 17 HD3 LYS 17 -1.110 -12.042 8.755 155 HE2 LYS 17 HE2 LYS 17 -2.481 -13.863 7.780 156 HE3 LYS 17 HE3 LYS 17 -1.575 -12.992 6.541 157 HZ1 LYS 17 HZ1 LYS 17 -1.506 -15.394 6.228 158 HZ2 LYS 17 HZ2 LYS 17 -0.762 -15.589 7.734 159 HZ3 LYS 17 HZ3 LYS 17 0.037 -14.762 6.495 160 H ASN 18 H ASN 18 5.217 -10.470 8.146 161 HA ASN 18 HA ASN 18 4.270 -8.187 6.828 162 HB2 ASN 18 HB2 ASN 18 6.661 -8.023 5.935 163 HB3 ASN 18 HB3 ASN 18 6.473 -8.119 7.683 164 HD21 ASN 18 HD21 ASN 18 7.111 -9.981 8.758 165 HD22 ASN 18 HD22 ASN 18 8.085 -11.199 8.012 166 H ILE 19 H ILE 19 4.659 -11.344 5.601 167 HA ILE 19 HA ILE 19 5.128 -11.097 2.890 168 HB ILE 19 HB ILE 19 3.380 -13.215 4.229 169 HG12 ILE 19 HG12 ILE 19 5.632 -14.605 4.023 170 HG13 ILE 19 HG13 ILE 19 6.412 -13.035 3.921 171 HG21 ILE 19 HG21 ILE 19 4.853 -13.322 1.575 172 HG22 ILE 19 HG22 ILE 19 3.104 -13.258 1.802 173 HG23 ILE 19 HG23 ILE 19 4.008 -14.678 2.327 174 HD11 ILE 19 HD11 ILE 19 5.545 -12.491 6.153 175 HD12 ILE 19 HD12 ILE 19 6.535 -13.950 6.146 176 HD13 ILE 19 HD13 ILE 19 4.778 -14.081 6.229 177 H LEU 20 H LEU 20 2.169 -10.368 4.625 178 HA LEU 20 HA LEU 20 0.069 -10.385 2.886 179 HB2 LEU 20 HB2 LEU 20 0.918 -8.115 4.730 180 HB3 LEU 20 HB3 LEU 20 -0.663 -8.186 3.974 181 HG LEU 20 HG LEU 20 0.363 -10.294 5.912 182 HD11 LEU 20 HD11 LEU 20 -1.438 -7.923 6.514 183 HD12 LEU 20 HD12 LEU 20 0.228 -8.132 7.067 184 HD13 LEU 20 HD13 LEU 20 -1.032 -9.232 7.629 185 HD21 LEU 20 HD21 LEU 20 -1.408 -11.107 4.411 186 HD22 LEU 20 HD22 LEU 20 -2.445 -9.755 4.874 187 HD23 LEU 20 HD23 LEU 20 -1.997 -10.977 6.067 188 H TRP 21 H TRP 21 2.159 -7.488 3.190 189 HA TRP 21 HA TRP 21 1.494 -6.646 0.451 190 HB2 TRP 21 HB2 TRP 21 2.626 -5.130 2.818 191 HB3 TRP 21 HB3 TRP 21 2.585 -4.449 1.198 192 HD1 TRP 21 HD1 TRP 21 0.196 -5.459 4.071 193 HE1 TRP 21 HE1 TRP 21 -2.044 -4.256 3.693 194 HE3 TRP 21 HE3 TRP 21 1.065 -3.511 -0.583 195 HZ2 TRP 21 HZ2 TRP 21 -3.285 -2.673 1.705 196 HZ3 TRP 21 HZ3 TRP 21 -0.701 -2.168 -1.655 197 HH2 TRP 21 HH2 TRP 21 -2.834 -1.761 -0.534 198 H SER 22 H SER 22 4.145 -8.111 2.158 199 HA SER 22 HA SER 22 6.294 -7.208 0.524 200 HB2 SER 22 HB2 SER 22 6.688 -8.534 2.576 201 HB3 SER 22 HB3 SER 22 5.968 -9.949 1.817 202 HG SER 22 HG SER 22 8.492 -9.083 1.673 203 H ALA 23 H ALA 23 3.625 -9.263 -0.199 204 HA ALA 23 HA ALA 23 4.494 -10.714 -2.463 205 HB1 ALA 23 HB1 ALA 23 2.407 -11.183 -1.239 206 HB2 ALA 23 HB2 ALA 23 2.082 -10.936 -2.959 207 HB3 ALA 23 HB3 ALA 23 1.729 -9.653 -1.796 208 H ILE 24 H ILE 24 3.789 -7.294 -2.137 209 HA ILE 24 HA ILE 24 2.926 -6.828 -4.842 210 HB ILE 24 HB ILE 24 2.851 -4.474 -4.332 211 HG12 ILE 24 HG12 ILE 24 4.595 -5.112 -1.928 212 HG13 ILE 24 HG13 ILE 24 4.960 -4.026 -3.256 213 HG21 ILE 24 HG21 ILE 24 1.384 -4.456 -2.354 214 HG22 ILE 24 HG22 ILE 24 1.995 -6.038 -1.871 215 HG23 ILE 24 HG23 ILE 24 1.063 -5.870 -3.362 216 HD11 ILE 24 HD11 ILE 24 4.481 -2.756 -1.298 217 HD12 ILE 24 HD12 ILE 24 2.962 -3.609 -1.041 218 HD13 ILE 24 HD13 ILE 24 3.144 -2.525 -2.427 219 H SER 25 H SER 25 6.054 -7.123 -3.427 220 HA SER 25 HA SER 25 7.542 -5.632 -5.408 221 HB2 SER 25 HB2 SER 25 9.537 -6.582 -4.391 222 HB3 SER 25 HB3 SER 25 8.414 -6.176 -3.098 223 HG SER 25 HG SER 25 7.934 -8.316 -2.823 224 H THR 26 H THR 26 6.489 -8.976 -5.017 225 HA THR 26 HA THR 26 7.884 -9.929 -7.414 226 HB THR 26 HB THR 26 6.818 -12.157 -6.819 227 HG1 THR 26 HG1 THR 26 5.222 -10.715 -5.347 228 HG21 THR 26 HG21 THR 26 9.084 -11.642 -6.052 229 HG22 THR 26 HG22 THR 26 8.220 -12.585 -4.836 230 HG23 THR 26 HG23 THR 26 8.444 -10.846 -4.611 231 HA PRO 27 HA PRO 27 4.445 -9.519 -10.314 232 HB2 PRO 27 HB2 PRO 27 4.841 -11.869 -11.778 233 HB3 PRO 27 HB3 PRO 27 5.752 -10.373 -12.024 234 HG2 PRO 27 HG2 PRO 27 6.500 -12.789 -10.352 235 HG3 PRO 27 HG3 PRO 27 7.496 -11.893 -11.529 236 HD2 PRO 27 HD2 PRO 27 7.791 -11.446 -8.933 237 HD3 PRO 27 HD3 PRO 27 7.777 -10.063 -10.052 238 H THR 28 H THR 28 4.808 -13.000 -9.432 239 HA THR 28 HA THR 28 2.128 -13.732 -9.725 240 HB THR 28 HB THR 28 2.747 -15.812 -8.456 241 HG1 THR 28 HG1 THR 28 4.953 -15.957 -7.715 242 HG21 THR 28 HG21 THR 28 4.517 -16.597 -9.996 243 HG22 THR 28 HG22 THR 28 4.849 -14.932 -10.480 244 HG23 THR 28 HG23 THR 28 3.294 -15.671 -10.869 245 H GLY 29 H GLY 29 3.827 -12.591 -6.822 246 HA2 GLY 29 HA2 GLY 29 1.723 -13.021 -4.945 247 HA3 GLY 29 HA3 GLY 29 3.087 -11.927 -4.756 248 H LEU 30 H LEU 30 2.603 -10.225 -6.963 249 HA LEU 30 HA LEU 30 0.702 -8.406 -5.795 250 HB2 LEU 30 HB2 LEU 30 2.864 -7.741 -6.893 251 HB3 LEU 30 HB3 LEU 30 2.169 -8.190 -8.433 252 HG LEU 30 HG LEU 30 0.564 -6.381 -8.356 253 HD11 LEU 30 HD11 LEU 30 0.472 -4.744 -6.538 254 HD12 LEU 30 HD12 LEU 30 1.634 -5.687 -5.611 255 HD13 LEU 30 HD13 LEU 30 0.042 -6.353 -5.963 256 HD21 LEU 30 HD21 LEU 30 2.090 -4.448 -8.404 257 HD22 LEU 30 HD22 LEU 30 2.785 -5.844 -9.225 258 HD23 LEU 30 HD23 LEU 30 3.340 -5.407 -7.605 259 H GLU 31 H GLU 31 0.797 -10.022 -9.021 260 HA GLU 31 HA GLU 31 -1.664 -9.016 -9.975 261 HB2 GLU 31 HB2 GLU 31 -1.474 -10.647 -11.800 262 HB3 GLU 31 HB3 GLU 31 0.065 -9.864 -11.479 263 HG2 GLU 31 HG2 GLU 31 0.727 -11.920 -10.146 264 HG3 GLU 31 HG3 GLU 31 -0.737 -12.693 -10.757 265 H ASP 32 H ASP 32 -1.108 -11.471 -7.696 266 HA ASP 32 HA ASP 32 -3.393 -13.081 -7.848 267 HB2 ASP 32 HB2 ASP 32 -1.467 -13.528 -6.364 268 HB3 ASP 32 HB3 ASP 32 -1.826 -12.081 -5.427 269 H TRP 33 H TRP 33 -2.977 -9.798 -6.588 270 HA TRP 33 HA TRP 33 -5.858 -9.463 -6.124 271 HB2 TRP 33 HB2 TRP 33 -5.503 -8.613 -3.820 272 HB3 TRP 33 HB3 TRP 33 -5.001 -10.290 -3.970 273 HD1 TRP 33 HD1 TRP 33 -2.059 -10.235 -4.757 274 HE1 TRP 33 HE1 TRP 33 -0.247 -9.144 -3.308 275 HE3 TRP 33 HE3 TRP 33 -5.007 -7.070 -2.033 276 HZ2 TRP 33 HZ2 TRP 33 -0.070 -7.209 -1.264 277 HZ3 TRP 33 HZ3 TRP 33 -3.938 -5.636 -0.336 278 HH2 TRP 33 HH2 TRP 33 -1.521 -5.709 0.039 279 H PHE 34 H PHE 34 -3.468 -8.284 -7.796 280 HA PHE 34 HA PHE 34 -4.566 -5.566 -7.848 281 HB2 PHE 34 HB2 PHE 34 -2.443 -5.669 -6.284 282 HB3 PHE 34 HB3 PHE 34 -1.539 -5.878 -7.761 283 HD1 PHE 34 HD1 PHE 34 -1.530 -4.043 -9.505 284 HD2 PHE 34 HD2 PHE 34 -3.275 -3.466 -5.640 285 HE1 PHE 34 HE1 PHE 34 -1.452 -1.605 -9.831 286 HE2 PHE 34 HE2 PHE 34 -3.190 -1.031 -5.976 287 HZ PHE 34 HZ PHE 34 -2.285 -0.098 -8.068 288 H ALA 35 H ALA 35 -4.871 -5.034 -9.968 289 HA ALA 35 HA ALA 35 -4.985 -5.163 -12.218 290 HB1 ALA 35 HB1 ALA 35 -2.934 -5.454 -13.529 291 HB2 ALA 35 HB2 ALA 35 -2.081 -6.071 -12.112 292 HB3 ALA 35 HB3 ALA 35 -2.633 -4.394 -12.148 293 H ASP 36 H ASP 36 -4.753 -6.694 -14.184 294 HA ASP 36 HA ASP 36 -5.879 -9.264 -13.463 295 HB2 ASP 36 HB2 ASP 36 -5.239 -8.073 -16.196 296 HB3 ASP 36 HB3 ASP 36 -6.175 -9.548 -15.920 297 H LYS 37 H LYS 37 -2.882 -8.149 -15.060 298 HA LYS 37 HA LYS 37 -1.482 -10.560 -14.179 299 HB2 LYS 37 HB2 LYS 37 -2.448 -10.909 -16.571 300 HB3 LYS 37 HB3 LYS 37 -1.272 -9.720 -17.113 301 HG2 LYS 37 HG2 LYS 37 -0.442 -12.222 -15.610 302 HG3 LYS 37 HG3 LYS 37 -0.702 -12.235 -17.353 303 HD2 LYS 37 HD2 LYS 37 1.097 -10.656 -17.706 304 HD3 LYS 37 HD3 LYS 37 1.258 -10.359 -15.978 305 HE2 LYS 37 HE2 LYS 37 1.840 -13.020 -17.322 306 HE3 LYS 37 HE3 LYS 37 3.057 -11.818 -16.894 307 HZ1 LYS 37 HZ1 LYS 37 2.859 -13.595 -15.247 308 HZ2 LYS 37 HZ2 LYS 37 1.251 -13.162 -14.958 309 HZ3 LYS 37 HZ3 LYS 37 2.495 -12.081 -14.581 310 H VAL 38 H VAL 38 0.620 -10.130 -13.619 311 HA VAL 38 HA VAL 38 1.789 -7.476 -14.273 312 HB VAL 38 HB VAL 38 2.091 -9.106 -11.712 313 HG11 VAL 38 HG11 VAL 38 3.579 -7.285 -10.897 314 HG12 VAL 38 HG12 VAL 38 3.540 -6.548 -12.501 315 HG13 VAL 38 HG13 VAL 38 4.276 -8.137 -12.279 316 HG21 VAL 38 HG21 VAL 38 -0.002 -7.784 -11.833 317 HG22 VAL 38 HG22 VAL 38 0.928 -6.323 -12.178 318 HG23 VAL 38 HG23 VAL 38 1.087 -7.121 -10.610 319 H VAL 39 H VAL 39 3.388 -7.687 -15.695 320 HA VAL 39 HA VAL 39 5.262 -9.951 -15.691 321 HB VAL 39 HB VAL 39 5.215 -7.506 -17.526 322 HG11 VAL 39 HG11 VAL 39 6.586 -8.879 -19.069 323 HG12 VAL 39 HG12 VAL 39 6.611 -10.189 -17.888 324 HG13 VAL 39 HG13 VAL 39 7.400 -8.655 -17.517 325 HG21 VAL 39 HG21 VAL 39 4.070 -8.916 -19.205 326 HG22 VAL 39 HG22 VAL 39 3.087 -8.721 -17.752 327 HG23 VAL 39 HG23 VAL 39 3.957 -10.230 -18.031 328 H SER 40 H SER 40 7.163 -9.827 -14.563 329 HA SER 40 HA SER 40 8.043 -7.248 -13.444 330 HB2 SER 40 HB2 SER 40 9.453 -8.580 -11.941 331 HB3 SER 40 HB3 SER 40 7.795 -9.174 -11.910 332 HG SER 40 HG SER 40 8.642 -10.712 -13.612 333 H ASP 41 H ASP 41 9.722 -6.182 -14.170 334 HA ASP 41 HA ASP 41 11.813 -7.372 -15.887 335 HB2 ASP 41 HB2 ASP 41 11.183 -4.414 -15.410 336 HB3 ASP 41 HB3 ASP 41 12.255 -5.081 -16.642 337 H ASP 42 H ASP 42 11.820 -7.957 -13.158 338 HA ASP 42 HA ASP 42 13.039 -8.072 -11.285 339 HB2 ASP 42 HB2 ASP 42 14.947 -8.356 -12.834 340 HB3 ASP 42 HB3 ASP 42 15.170 -6.612 -12.903 341 H LYS 43 H LYS 43 14.353 -4.870 -12.206 342 HA LYS 43 HA LYS 43 13.535 -3.729 -9.632 343 HB2 LYS 43 HB2 LYS 43 15.003 -1.857 -10.228 344 HB3 LYS 43 HB3 LYS 43 15.839 -3.391 -10.458 345 HG2 LYS 43 HG2 LYS 43 15.446 -3.248 -12.899 346 HG3 LYS 43 HG3 LYS 43 14.598 -1.712 -12.671 347 HD2 LYS 43 HD2 LYS 43 16.703 -0.734 -11.729 348 HD3 LYS 43 HD3 LYS 43 17.534 -2.259 -12.063 349 HE2 LYS 43 HE2 LYS 43 17.097 -1.964 -14.482 350 HE3 LYS 43 HE3 LYS 43 16.248 -0.451 -14.148 351 HZ1 LYS 43 HZ1 LYS 43 18.333 0.414 -13.208 352 HZ2 LYS 43 HZ2 LYS 43 18.469 0.006 -14.839 353 HZ3 LYS 43 HZ3 LYS 43 19.121 -1.017 -13.667 354 H THR 44 H THR 44 11.996 -4.029 -12.516 355 HA THR 44 HA THR 44 10.278 -1.659 -12.038 356 HB THR 44 HB THR 44 11.064 -2.769 -14.781 357 HG1 THR 44 HG1 THR 44 12.073 -0.759 -13.213 358 HG21 THR 44 HG21 THR 44 9.771 -0.877 -15.729 359 HG22 THR 44 HG22 THR 44 9.223 -0.441 -14.109 360 HG23 THR 44 HG23 THR 44 8.725 -1.977 -14.824 361 H VAL 45 H VAL 45 8.072 -2.071 -12.196 362 HA VAL 45 HA VAL 45 7.172 -4.879 -12.510 363 HB VAL 45 HB VAL 45 6.077 -2.720 -10.638 364 HG11 VAL 45 HG11 VAL 45 4.579 -4.476 -9.747 365 HG12 VAL 45 HG12 VAL 45 5.162 -5.600 -10.976 366 HG13 VAL 45 HG13 VAL 45 4.257 -4.160 -11.454 367 HG21 VAL 45 HG21 VAL 45 6.886 -4.162 -8.792 368 HG22 VAL 45 HG22 VAL 45 8.218 -3.650 -9.830 369 HG23 VAL 45 HG23 VAL 45 7.575 -5.288 -9.966 370 H THR 46 H THR 46 6.245 -4.934 -14.535 371 HA THR 46 HA THR 46 4.653 -2.660 -15.528 372 HB THR 46 HB THR 46 5.578 -5.164 -17.020 373 HG1 THR 46 HG1 THR 46 7.334 -3.859 -16.545 374 HG21 THR 46 HG21 THR 46 3.540 -4.163 -18.043 375 HG22 THR 46 HG22 THR 46 4.958 -3.939 -19.070 376 HG23 THR 46 HG23 THR 46 4.352 -2.591 -18.103 377 H PHE 47 H PHE 47 2.541 -2.723 -15.052 378 HA PHE 47 HA PHE 47 1.018 -5.157 -14.595 379 HB2 PHE 47 HB2 PHE 47 -0.016 -2.290 -14.824 380 HB3 PHE 47 HB3 PHE 47 -0.836 -3.658 -14.073 381 HD1 PHE 47 HD1 PHE 47 -0.127 -4.469 -11.843 382 HD2 PHE 47 HD2 PHE 47 1.769 -1.109 -13.669 383 HE1 PHE 47 HE1 PHE 47 0.885 -3.860 -9.696 384 HE2 PHE 47 HE2 PHE 47 2.779 -0.510 -11.512 385 HZ PHE 47 HZ PHE 47 2.338 -1.886 -9.520 386 H CYS 48 H CYS 48 -0.826 -5.771 -15.899 387 HA CYS 48 HA CYS 48 -0.885 -4.725 -18.679 388 HB2 CYS 48 HB2 CYS 48 -0.976 -7.658 -17.848 389 HB3 CYS 48 HB3 CYS 48 -1.158 -7.056 -19.497 390 HG CYS 48 HG CYS 48 1.593 -5.747 -18.579 391 H TRP 49 H TRP 49 -2.799 -3.776 -18.872 392 HA TRP 49 HA TRP 49 -5.278 -5.132 -17.964 393 HB2 TRP 49 HB2 TRP 49 -4.739 -2.153 -18.336 394 HB3 TRP 49 HB3 TRP 49 -6.321 -2.838 -17.975 395 HD1 TRP 49 HD1 TRP 49 -6.261 -4.417 -15.549 396 HE1 TRP 49 HE1 TRP 49 -5.277 -3.682 -13.300 397 HE3 TRP 49 HE3 TRP 49 -3.090 -0.763 -17.197 398 HZ2 TRP 49 HZ2 TRP 49 -3.413 -1.819 -12.329 399 HZ3 TRP 49 HZ3 TRP 49 -1.747 0.453 -15.534 400 HH2 TRP 49 HH2 TRP 49 -1.901 -0.059 -13.149 401 H GLY 50 H GLY 50 -3.466 -4.385 -20.727 402 HA2 GLY 50 HA2 GLY 50 -5.526 -5.293 -22.493 403 HA3 GLY 50 HA3 GLY 50 -5.316 -3.555 -22.644 404 H LYS 51 H LYS 51 -4.946 -4.541 -24.895 405 HA LYS 51 HA LYS 51 -2.551 -5.884 -25.578 406 HB2 LYS 51 HB2 LYS 51 -3.083 -5.196 -27.924 407 HB3 LYS 51 HB3 LYS 51 -4.453 -5.905 -27.081 408 HG2 LYS 51 HG2 LYS 51 -5.404 -3.643 -26.707 409 HG3 LYS 51 HG3 LYS 51 -4.028 -2.931 -27.550 410 HD2 LYS 51 HD2 LYS 51 -5.958 -3.028 -29.050 411 HD3 LYS 51 HD3 LYS 51 -4.701 -4.124 -29.634 412 HE2 LYS 51 HE2 LYS 51 -5.920 -6.045 -28.670 413 HE3 LYS 51 HE3 LYS 51 -7.156 -4.960 -28.034 414 HZ1 LYS 51 HZ1 LYS 51 -7.816 -6.054 -30.097 415 HZ2 LYS 51 HZ2 LYS 51 -6.531 -5.317 -30.916 416 HZ3 LYS 51 HZ3 LYS 51 -7.775 -4.374 -30.263 417 H THR 52 H THR 52 -3.329 -2.417 -25.477 418 HA THR 52 HA THR 52 -0.437 -1.738 -25.617 419 HB THR 52 HB THR 52 -1.055 0.444 -26.653 420 HG1 THR 52 HG1 THR 52 -3.108 0.909 -26.237 421 HG21 THR 52 HG21 THR 52 -0.424 -1.403 -28.171 422 HG22 THR 52 HG22 THR 52 -1.642 -0.366 -28.916 423 HG23 THR 52 HG23 THR 52 -2.108 -1.931 -28.245 424 H GLU 53 H GLU 53 -2.863 -2.027 -23.484 425 HA GLU 53 HA GLU 53 -2.202 0.413 -21.952 426 HB2 GLU 53 HB2 GLU 53 -4.611 0.013 -22.295 427 HB3 GLU 53 HB3 GLU 53 -4.482 -1.566 -21.521 428 HG2 GLU 53 HG2 GLU 53 -4.074 -0.596 -19.375 429 HG3 GLU 53 HG3 GLU 53 -3.756 0.995 -20.071 430 H GLN 54 H GLN 54 -0.202 -0.170 -21.247 431 HA GLN 54 HA GLN 54 -0.155 -2.041 -18.955 432 HB2 GLN 54 HB2 GLN 54 2.020 -2.855 -19.505 433 HB3 GLN 54 HB3 GLN 54 1.118 -2.942 -21.009 434 HG2 GLN 54 HG2 GLN 54 3.140 -0.790 -20.285 435 HG3 GLN 54 HG3 GLN 54 3.450 -2.175 -21.324 436 HE21 GLN 54 HE21 GLN 54 3.583 0.763 -21.835 437 HE22 GLN 54 HE22 GLN 54 2.611 1.008 -23.238 438 H ARG 55 H ARG 55 1.232 -1.373 -17.221 439 HA ARG 55 HA ARG 55 2.207 1.426 -17.308 440 HB2 ARG 55 HB2 ARG 55 0.193 0.233 -15.476 441 HB3 ARG 55 HB3 ARG 55 1.493 1.038 -14.619 442 HG2 ARG 55 HG2 ARG 55 -0.308 2.587 -14.897 443 HG3 ARG 55 HG3 ARG 55 1.038 3.114 -15.904 444 HD2 ARG 55 HD2 ARG 55 -0.079 2.240 -17.895 445 HD3 ARG 55 HD3 ARG 55 -1.405 1.612 -16.906 446 HE ARG 55 HE ARG 55 -1.159 4.361 -16.410 447 HH11 ARG 55 HH11 ARG 55 -2.029 2.346 -19.098 448 HH12 ARG 55 HH12 ARG 55 -3.116 3.515 -19.746 449 HH21 ARG 55 HH21 ARG 55 -2.545 5.798 -17.229 450 HH22 ARG 55 HH22 ARG 55 -3.412 5.458 -18.687 451 H GLN 56 H GLN 56 4.402 1.152 -17.278 452 HA GLN 56 HA GLN 56 5.711 -0.814 -15.583 453 HB2 GLN 56 HB2 GLN 56 6.875 1.566 -17.106 454 HB3 GLN 56 HB3 GLN 56 7.813 0.311 -16.301 455 HG2 GLN 56 HG2 GLN 56 6.681 -1.361 -17.857 456 HG3 GLN 56 HG3 GLN 56 6.062 0.022 -18.758 457 HE21 GLN 56 HE21 GLN 56 7.936 -2.116 -19.590 458 HE22 GLN 56 HE22 GLN 56 9.368 -1.311 -20.118 459 H ALA 57 H ALA 57 6.171 -0.533 -13.472 460 HA ALA 57 HA ALA 57 6.237 2.197 -12.289 461 HB1 ALA 57 HB1 ALA 57 5.258 -0.364 -10.952 462 HB2 ALA 57 HB2 ALA 57 4.228 0.938 -11.558 463 HB3 ALA 57 HB3 ALA 57 5.328 1.241 -10.213 464 H GLY 58 H GLY 58 8.257 2.702 -11.685 465 HA2 GLY 58 HA2 GLY 58 10.317 0.674 -11.263 466 HA3 GLY 58 HA3 GLY 58 10.533 2.418 -11.300 467 H ILE 59 H ILE 59 11.090 0.007 -9.314 468 HA ILE 59 HA ILE 59 9.927 0.796 -6.821 469 HB ILE 59 HB ILE 59 12.442 -0.840 -7.421 470 HG12 ILE 59 HG12 ILE 59 11.048 -2.743 -6.416 471 HG13 ILE 59 HG13 ILE 59 9.669 -1.654 -6.430 472 HG21 ILE 59 HG21 ILE 59 12.541 -1.472 -5.014 473 HG22 ILE 59 HG22 ILE 59 11.274 -0.294 -4.660 474 HG23 ILE 59 HG23 ILE 59 12.841 0.250 -5.264 475 HD11 ILE 59 HD11 ILE 59 11.187 -2.656 -8.837 476 HD12 ILE 59 HD12 ILE 59 9.820 -1.537 -8.879 477 HD13 ILE 59 HD13 ILE 59 9.595 -3.182 -8.288 478 H VAL 60 H VAL 60 10.472 2.494 -5.502 479 HA VAL 60 HA VAL 60 12.599 4.332 -6.289 480 HB VAL 60 HB VAL 60 10.702 4.543 -3.900 481 HG11 VAL 60 HG11 VAL 60 12.672 6.021 -3.718 482 HG12 VAL 60 HG12 VAL 60 11.202 6.963 -3.968 483 HG13 VAL 60 HG13 VAL 60 12.320 6.706 -5.309 484 HG21 VAL 60 HG21 VAL 60 9.368 4.378 -5.965 485 HG22 VAL 60 HG22 VAL 60 10.294 5.697 -6.685 486 HG23 VAL 60 HG23 VAL 60 9.267 6.003 -5.282 487 H ALA 61 H ALA 61 11.673 2.319 -3.510 488 HA ALA 61 HA ALA 61 14.341 1.537 -2.870 489 HB1 ALA 61 HB1 ALA 61 14.411 3.788 -1.849 490 HB2 ALA 61 HB2 ALA 61 14.522 2.523 -0.625 491 HB3 ALA 61 HB3 ALA 61 13.002 3.390 -0.861 492 H ILE 62 H ILE 62 14.421 -0.005 -1.113 493 HA ILE 62 HA ILE 62 12.022 -0.794 0.311 494 HB ILE 62 HB ILE 62 11.671 -2.067 -1.771 495 HG12 ILE 62 HG12 ILE 62 12.550 -3.879 0.538 496 HG13 ILE 62 HG13 ILE 62 10.964 -3.145 0.340 497 HG21 ILE 62 HG21 ILE 62 13.259 -3.767 -2.590 498 HG22 ILE 62 HG22 ILE 62 14.412 -3.314 -1.333 499 HG23 ILE 62 HG23 ILE 62 13.983 -2.156 -2.593 500 HD11 ILE 62 HD11 ILE 62 10.593 -4.521 -1.656 501 HD12 ILE 62 HD12 ILE 62 10.917 -5.486 -0.217 502 HD13 ILE 62 HD13 ILE 62 12.179 -5.265 -1.426 503 H ARG 63 H ARG 63 12.493 -2.002 2.183 504 HA ARG 63 HA ARG 63 15.212 -3.037 2.656 505 HB2 ARG 63 HB2 ARG 63 15.209 -0.702 3.575 506 HB3 ARG 63 HB3 ARG 63 13.827 -1.103 4.589 507 HG2 ARG 63 HG2 ARG 63 15.292 -2.877 5.687 508 HG3 ARG 63 HG3 ARG 63 16.658 -2.193 4.799 509 HD2 ARG 63 HD2 ARG 63 16.192 0.014 5.905 510 HD3 ARG 63 HD3 ARG 63 14.927 -0.772 6.863 511 HE ARG 63 HE ARG 63 17.485 -2.075 7.084 512 HH11 ARG 63 HH11 ARG 63 15.640 0.559 8.371 513 HH12 ARG 63 HH12 ARG 63 16.531 0.582 9.848 514 HH21 ARG 63 HH21 ARG 63 18.611 -1.992 8.969 515 HH22 ARG 63 HH22 ARG 63 18.192 -0.832 10.180 516 H ALA 64 H ALA 64 14.554 -5.112 2.798 517 HA ALA 64 HA ALA 64 13.464 -7.026 3.293 518 HB1 ALA 64 HB1 ALA 64 13.359 -7.570 5.669 519 HB2 ALA 64 HB2 ALA 64 13.485 -5.859 6.083 520 HB3 ALA 64 HB3 ALA 64 14.840 -6.677 5.305 521 H TYR 65 H TYR 65 11.674 -5.056 5.670 522 HA TYR 65 HA TYR 65 9.155 -5.239 4.186 523 HB2 TYR 65 HB2 TYR 65 7.926 -6.368 5.928 524 HB3 TYR 65 HB3 TYR 65 9.345 -7.352 5.595 525 HD1 TYR 65 HD2 TYR 65 11.427 -6.951 7.189 526 HD2 TYR 65 HD1 TYR 65 7.434 -5.785 8.167 527 HE1 TYR 65 HE2 TYR 65 12.035 -6.873 9.567 528 HE2 TYR 65 HE1 TYR 65 8.032 -5.692 10.534 529 HH TYR 65 HH TYR 65 11.280 -5.802 11.629 530 H SER 66 H SER 66 11.257 -3.608 6.324 531 HA SER 66 HA SER 66 9.516 -2.152 8.014 532 HB2 SER 66 HB2 SER 66 11.917 -2.298 8.502 533 HB3 SER 66 HB3 SER 66 12.306 -1.410 7.031 534 HG SER 66 HG SER 66 10.543 -0.047 8.615 535 H PHE 67 H PHE 67 10.693 -1.516 4.753 536 HA PHE 67 HA PHE 67 8.239 -0.104 4.197 537 HB2 PHE 67 HB2 PHE 67 9.302 1.923 3.188 538 HB3 PHE 67 HB3 PHE 67 9.524 1.831 4.928 539 HD1 PHE 67 HD1 PHE 67 11.245 1.562 1.650 540 HD2 PHE 67 HD2 PHE 67 11.749 1.597 5.897 541 HE1 PHE 67 HE1 PHE 67 13.660 1.888 1.363 542 HE2 PHE 67 HE2 PHE 67 14.165 1.935 5.596 543 HZ PHE 67 HZ PHE 67 15.122 2.078 3.333 544 H ILE 68 H ILE 68 7.745 0.072 2.033 545 HA ILE 68 HA ILE 68 9.637 -0.625 -0.064 546 HB ILE 68 HB ILE 68 8.649 -2.843 0.468 547 HG12 ILE 68 HG12 ILE 68 7.684 -1.750 -2.218 548 HG13 ILE 68 HG13 ILE 68 9.296 -2.377 -1.882 549 HG21 ILE 68 HG21 ILE 68 6.487 -2.162 1.398 550 HG22 ILE 68 HG22 ILE 68 6.253 -3.343 0.107 551 HG23 ILE 68 HG23 ILE 68 5.940 -1.633 -0.199 552 HD11 ILE 68 HD11 ILE 68 6.741 -3.972 -1.810 553 HD12 ILE 68 HD12 ILE 68 8.363 -4.595 -1.503 554 HD13 ILE 68 HD13 ILE 68 7.942 -3.975 -3.098 555 H ARG 69 H ARG 69 9.147 0.520 -1.980 556 HA ARG 69 HA ARG 69 6.593 1.893 -2.244 557 HB2 ARG 69 HB2 ARG 69 7.597 4.184 -2.368 558 HB3 ARG 69 HB3 ARG 69 7.651 3.478 -0.763 559 HG2 ARG 69 HG2 ARG 69 10.081 3.231 -2.522 560 HG3 ARG 69 HG3 ARG 69 9.733 4.787 -1.775 561 HD2 ARG 69 HD2 ARG 69 9.931 2.220 -0.174 562 HD3 ARG 69 HD3 ARG 69 11.332 3.230 -0.529 563 HE ARG 69 HE ARG 69 8.986 4.108 1.058 564 HH11 ARG 69 HH11 ARG 69 12.374 4.376 0.349 565 HH12 ARG 69 HH12 ARG 69 12.691 5.338 1.746 566 HH21 ARG 69 HH21 ARG 69 9.455 5.318 2.857 567 HH22 ARG 69 HH22 ARG 69 11.078 5.856 3.140 568 H PHE 70 H PHE 70 6.137 2.643 -4.255 569 HA PHE 70 HA PHE 70 8.087 2.178 -6.449 570 HB2 PHE 70 HB2 PHE 70 5.092 1.616 -6.606 571 HB3 PHE 70 HB3 PHE 70 6.281 1.311 -7.860 572 HD1 PHE 70 HD2 PHE 70 5.261 0.261 -4.413 573 HD2 PHE 70 HD1 PHE 70 7.306 -0.832 -8.009 574 HE1 PHE 70 HE2 PHE 70 5.492 -2.038 -3.593 575 HE2 PHE 70 HE1 PHE 70 7.511 -3.134 -7.174 576 HZ PHE 70 HZ PHE 70 6.603 -3.740 -4.972 577 H HIS 71 H HIS 71 7.402 3.319 -8.472 578 HA HIS 71 HA HIS 71 5.503 5.529 -8.229 579 HB2 HIS 71 HB2 HIS 71 7.630 6.595 -7.584 580 HB3 HIS 71 HB3 HIS 71 8.421 5.956 -9.026 581 HD1 HIS 71 HD1 HIS 71 8.141 7.253 -11.176 582 HD2 HIS 71 HD2 HIS 71 5.712 8.680 -8.131 583 HE1 HIS 71 HE1 HIS 71 7.087 9.325 -12.087 584 HE2 HIS 71 HE2 HIS 71 5.401 9.971 -10.349 585 H TRP 72 H TRP 72 4.475 5.961 -10.162 586 HA TRP 72 HA TRP 72 4.670 3.907 -12.194 587 HB2 TRP 72 HB2 TRP 72 2.843 6.353 -12.144 588 HB3 TRP 72 HB3 TRP 72 2.645 4.917 -13.146 589 HD1 TRP 72 HD1 TRP 72 2.455 5.980 -9.418 590 HE1 TRP 72 HE1 TRP 72 0.838 4.409 -8.206 591 HE3 TRP 72 HE3 TRP 72 1.528 2.663 -13.201 592 HZ2 TRP 72 HZ2 TRP 72 -0.620 2.071 -8.738 593 HZ3 TRP 72 HZ3 TRP 72 0.000 0.780 -12.759 594 HH2 TRP 72 HH2 TRP 72 -1.055 0.488 -10.571 595 H LEU 73 H LEU 73 6.249 4.050 -13.669 596 HA LEU 73 HA LEU 73 7.574 6.365 -14.620 597 HB2 LEU 73 HB2 LEU 73 7.282 3.653 -15.981 598 HB3 LEU 73 HB3 LEU 73 8.483 4.872 -16.386 599 HG LEU 73 HG LEU 73 8.341 3.374 -13.732 600 HD11 LEU 73 HD11 LEU 73 8.977 1.868 -15.557 601 HD12 LEU 73 HD12 LEU 73 10.342 2.170 -14.485 602 HD13 LEU 73 HD13 LEU 73 10.261 2.978 -16.054 603 HD21 LEU 73 HD21 LEU 73 10.459 5.287 -14.779 604 HD22 LEU 73 HD22 LEU 73 10.555 4.357 -13.280 605 HD23 LEU 73 HD23 LEU 73 9.324 5.604 -13.462 606 H ASP 74 H ASP 74 4.568 4.901 -15.522 607 HA ASP 74 HA ASP 74 4.404 5.957 -18.208 608 HB2 ASP 74 HB2 ASP 74 3.442 3.736 -17.503 609 HB3 ASP 74 HB3 ASP 74 2.248 4.598 -16.539 610 H ASP 75 H ASP 75 2.331 6.436 -15.274 611 HA ASP 75 HA ASP 75 0.934 8.645 -16.481 612 HB2 ASP 75 HB2 ASP 75 0.778 7.612 -13.623 613 HB3 ASP 75 HB3 ASP 75 -0.384 8.688 -14.400 614 H GLU 76 H GLU 76 2.525 8.604 -13.279 615 HA GLU 76 HA GLU 76 3.979 9.949 -12.210 616 HB2 GLU 76 HB2 GLU 76 5.373 9.623 -14.224 617 HB3 GLU 76 HB3 GLU 76 4.647 11.037 -14.969 618 HG2 GLU 76 HG2 GLU 76 5.727 12.521 -13.427 619 HG3 GLU 76 HG3 GLU 76 6.225 11.190 -12.385 620 H ASN 77 H ASN 77 1.144 11.097 -13.216 621 HA ASN 77 HA ASN 77 1.402 13.946 -13.145 622 HB2 ASN 77 HB2 ASN 77 -0.999 12.115 -12.827 623 HB3 ASN 77 HB3 ASN 77 -1.148 13.862 -12.698 624 HD21 ASN 77 HD21 ASN 77 1.047 12.266 -14.977 625 HD22 ASN 77 HD22 ASN 77 0.171 12.727 -16.384 626 H GLU 78 H GLU 78 1.592 15.322 -11.501 627 HA GLU 78 HA GLU 78 2.084 16.173 -9.460 628 HB2 GLU 78 HB2 GLU 78 -0.231 14.361 -8.703 629 HB3 GLU 78 HB3 GLU 78 0.560 15.385 -7.514 630 HG2 GLU 78 HG2 GLU 78 -0.732 16.440 -10.046 631 HG3 GLU 78 HG3 GLU 78 -1.563 16.316 -8.497 632 H ARG 79 H ARG 79 3.509 13.713 -10.366 633 HA ARG 79 HA ARG 79 4.915 12.053 -9.746 634 HB2 ARG 79 HB2 ARG 79 5.306 13.873 -7.346 635 HB3 ARG 79 HB3 ARG 79 6.269 12.430 -7.616 636 HG2 ARG 79 HG2 ARG 79 7.586 14.257 -8.369 637 HG3 ARG 79 HG3 ARG 79 7.011 13.437 -9.819 638 HD2 ARG 79 HD2 ARG 79 5.303 15.170 -10.150 639 HD3 ARG 79 HD3 ARG 79 5.792 15.969 -8.651 640 HE ARG 79 HE ARG 79 8.058 15.788 -10.237 641 HH11 ARG 79 HH11 ARG 79 4.993 17.394 -10.482 642 HH12 ARG 79 HH12 ARG 79 5.636 18.666 -11.455 643 HH21 ARG 79 HH21 ARG 79 8.836 17.404 -11.441 644 HH22 ARG 79 HH22 ARG 79 7.797 18.667 -11.998 645 H ASP 80 H ASP 80 3.120 10.605 -9.661 646 HA ASP 80 HA ASP 80 1.651 10.015 -7.297 647 HB2 ASP 80 HB2 ASP 80 0.921 7.948 -8.668 648 HB3 ASP 80 HB3 ASP 80 0.513 9.543 -9.288 649 H TYR 81 H TYR 81 3.296 9.738 -5.755 650 HA TYR 81 HA TYR 81 4.947 7.295 -5.796 651 HB2 TYR 81 HB2 TYR 81 6.199 9.305 -5.325 652 HB3 TYR 81 HB3 TYR 81 5.021 9.852 -4.145 653 HD1 TYR 81 HD1 TYR 81 7.570 7.164 -4.747 654 HD2 TYR 81 HD2 TYR 81 5.362 9.375 -1.822 655 HE1 TYR 81 HE1 TYR 81 8.927 6.179 -2.960 656 HE2 TYR 81 HE2 TYR 81 6.727 8.378 -0.037 657 HH TYR 81 HH TYR 81 8.091 6.351 0.306 658 H PHE 82 H PHE 82 3.907 5.541 -4.971 659 HA PHE 82 HA PHE 82 2.303 5.875 -2.501 660 HB2 PHE 82 HB2 PHE 82 0.938 3.964 -3.086 661 HB3 PHE 82 HB3 PHE 82 0.917 5.113 -4.409 662 HD1 PHE 82 HD2 PHE 82 2.600 4.603 -6.401 663 HD2 PHE 82 HD1 PHE 82 1.284 1.686 -3.560 664 HE1 PHE 82 HE2 PHE 82 3.139 2.801 -7.984 665 HE2 PHE 82 HE1 PHE 82 1.834 -0.106 -5.150 666 HZ PHE 82 HZ PHE 82 2.757 0.450 -7.363 667 H GLU 83 H GLU 83 3.223 5.181 -0.768 668 HA GLU 83 HA GLU 83 5.258 3.028 -0.773 669 HB2 GLU 83 HB2 GLU 83 6.095 5.214 -0.021 670 HB3 GLU 83 HB3 GLU 83 4.769 5.363 1.123 671 HG2 GLU 83 HG2 GLU 83 5.720 3.290 2.283 672 HG3 GLU 83 HG3 GLU 83 7.144 3.489 1.258 673 H ILE 84 H ILE 84 4.927 1.266 0.527 674 HA ILE 84 HA ILE 84 2.806 1.319 2.582 675 HB ILE 84 HB ILE 84 3.477 -1.164 0.912 676 HG12 ILE 84 HG12 ILE 84 0.958 -0.827 0.150 677 HG13 ILE 84 HG13 ILE 84 1.213 0.848 0.599 678 HG21 ILE 84 HG21 ILE 84 2.779 -1.670 3.211 679 HG22 ILE 84 HG22 ILE 84 1.530 -2.161 2.073 680 HG23 ILE 84 HG23 ILE 84 1.326 -0.685 3.015 681 HD11 ILE 84 HD11 ILE 84 1.467 0.456 -1.788 682 HD12 ILE 84 HD12 ILE 84 2.783 -0.677 -1.476 683 HD13 ILE 84 HD13 ILE 84 2.972 1.030 -1.071 684 H LYS 85 H LYS 85 3.597 0.845 4.577 685 HA LYS 85 HA LYS 85 5.876 -1.021 4.860 686 HB2 LYS 85 HB2 LYS 85 6.796 0.472 6.644 687 HB3 LYS 85 HB3 LYS 85 6.824 1.200 5.043 688 HG2 LYS 85 HG2 LYS 85 4.772 2.494 5.631 689 HG3 LYS 85 HG3 LYS 85 4.838 1.811 7.259 690 HD2 LYS 85 HD2 LYS 85 7.016 3.527 5.989 691 HD3 LYS 85 HD3 LYS 85 5.796 4.115 7.122 692 HE2 LYS 85 HE2 LYS 85 7.850 1.964 7.758 693 HE3 LYS 85 HE3 LYS 85 7.997 3.664 8.206 694 HZ1 LYS 85 HZ1 LYS 85 5.804 1.858 9.080 695 HZ2 LYS 85 HZ2 LYS 85 6.015 3.467 9.552 696 HZ3 LYS 85 HZ3 LYS 85 7.140 2.295 10.012 697 H MET 86 H MET 86 6.022 -2.049 6.992 698 HA MET 86 HA MET 86 3.706 -1.742 8.784 699 HB2 MET 86 HB2 MET 86 3.483 -4.189 9.094 700 HB3 MET 86 HB3 MET 86 3.140 -3.723 7.436 701 HG2 MET 86 HG2 MET 86 5.882 -4.723 8.186 702 HG3 MET 86 HG3 MET 86 4.567 -5.852 7.884 703 HE1 MET 86 HE1 MET 86 3.434 -6.244 5.592 704 HE2 MET 86 HE2 MET 86 3.726 -5.260 4.157 705 HE3 MET 86 HE3 MET 86 2.916 -4.556 5.556 706 H SER 87 H SER 87 4.103 -2.468 10.934 707 HA SER 87 HA SER 87 6.826 -3.261 11.694 708 HB2 SER 87 HB2 SER 87 6.909 -0.789 11.846 709 HB3 SER 87 HB3 SER 87 5.488 -0.794 12.890 710 HG SER 87 HG SER 87 6.789 -1.115 14.491 711 H TYR 88 H TYR 88 6.937 -4.307 13.703 712 HA TYR 88 HA TYR 88 4.456 -5.654 14.410 713 HB2 TYR 88 HB2 TYR 88 6.521 -6.963 13.978 714 HB3 TYR 88 HB3 TYR 88 7.308 -6.184 15.348 715 HD1 TYR 88 HD1 TYR 88 4.276 -8.228 14.495 716 HD2 TYR 88 HD2 TYR 88 7.179 -7.260 17.483 717 HE1 TYR 88 HE1 TYR 88 3.354 -9.959 15.962 718 HE2 TYR 88 HE2 TYR 88 6.256 -9.004 18.946 719 HH TYR 88 HH TYR 88 4.063 -11.364 17.848 720 H ASN 89 H ASN 89 3.195 -4.657 15.881 721 HA ASN 89 HA ASN 89 4.145 -3.030 18.031 722 HB2 ASN 89 HB2 ASN 89 1.434 -4.384 17.678 723 HB3 ASN 89 HB3 ASN 89 1.806 -3.169 18.899 724 HD21 ASN 89 HD21 ASN 89 1.148 -3.739 15.551 725 HD22 ASN 89 HD22 ASN 89 0.965 -2.090 15.103 726 H GLU 90 H GLU 90 5.606 -4.089 19.308 727 HA GLU 90 HA GLU 90 5.369 -6.762 20.285 728 HB2 GLU 90 HB2 GLU 90 7.060 -4.470 21.374 729 HB3 GLU 90 HB3 GLU 90 7.327 -6.186 21.672 730 HG2 GLU 90 HG2 GLU 90 7.876 -6.553 19.329 731 HG3 GLU 90 HG3 GLU 90 7.482 -4.880 18.935 732 H LEU 91 H LEU 91 3.613 -4.058 21.110 733 HA LEU 91 HA LEU 91 3.238 -4.517 23.952 734 HB2 LEU 91 HB2 LEU 91 1.789 -2.602 22.086 735 HB3 LEU 91 HB3 LEU 91 1.806 -2.546 23.843 736 HG LEU 91 HG LEU 91 4.186 -2.015 22.012 737 HD11 LEU 91 HD11 LEU 91 2.615 -0.075 23.732 738 HD12 LEU 91 HD12 LEU 91 2.563 -0.187 21.971 739 HD13 LEU 91 HD13 LEU 91 4.052 0.302 22.774 740 HD21 LEU 91 HD21 LEU 91 5.422 -1.368 24.050 741 HD22 LEU 91 HD22 LEU 91 4.958 -3.066 24.076 742 HD23 LEU 91 HD23 LEU 91 4.060 -1.896 25.045 743 H THR 92 H THR 92 1.726 -5.611 21.006 744 HA THR 92 HA THR 92 -0.504 -6.806 22.520 745 HB THR 92 HB THR 92 -1.520 -4.772 21.706 746 HG1 THR 92 HG1 THR 92 -2.899 -6.019 19.891 747 HG21 THR 92 HG21 THR 92 -0.000 -4.216 19.841 748 HG22 THR 92 HG22 THR 92 -1.680 -4.193 19.302 749 HG23 THR 92 HG23 THR 92 -0.643 -5.564 18.901 750 H GLY 93 H GLY 93 1.260 -6.767 19.418 751 HA2 GLY 93 HA2 GLY 93 2.135 -8.971 18.669 752 HA3 GLY 93 HA3 GLY 93 0.540 -9.634 18.986 753 H ASP 94 H ASP 94 -0.371 -6.847 17.785 754 HA ASP 94 HA ASP 94 -0.823 -7.835 15.098 755 HB2 ASP 94 HB2 ASP 94 -1.607 -5.168 16.366 756 HB3 ASP 94 HB3 ASP 94 -2.227 -5.816 14.844 757 H TYR 95 H TYR 95 -0.602 -6.233 13.244 758 HA TYR 95 HA TYR 95 1.963 -4.797 13.223 759 HB2 TYR 95 HB2 TYR 95 0.285 -6.121 11.116 760 HB3 TYR 95 HB3 TYR 95 1.131 -4.672 10.604 761 HD1 TYR 95 HD1 TYR 95 3.379 -5.872 12.907 762 HD2 TYR 95 HD2 TYR 95 1.734 -6.964 9.126 763 HE1 TYR 95 HE1 TYR 95 5.412 -7.154 12.396 764 HE2 TYR 95 HE2 TYR 95 3.747 -8.239 8.636 765 HH TYR 95 HH TYR 95 6.278 -8.790 10.966 766 H VAL 96 H VAL 96 2.074 -2.641 13.057 767 HA VAL 96 HA VAL 96 -0.321 -1.039 12.462 768 HB VAL 96 HB VAL 96 0.974 -0.155 14.312 769 HG11 VAL 96 HG11 VAL 96 3.189 -1.096 13.824 770 HG12 VAL 96 HG12 VAL 96 3.304 0.641 14.120 771 HG13 VAL 96 HG13 VAL 96 3.382 0.019 12.468 772 HG21 VAL 96 HG21 VAL 96 -0.122 1.487 12.834 773 HG22 VAL 96 HG22 VAL 96 1.347 1.612 11.862 774 HG23 VAL 96 HG23 VAL 96 1.350 2.160 13.540 775 H LEU 97 H LEU 97 -0.759 -0.598 10.440 776 HA LEU 97 HA LEU 97 1.243 -1.067 8.303 777 HB2 LEU 97 HB2 LEU 97 -0.821 -2.568 8.550 778 HB3 LEU 97 HB3 LEU 97 -1.794 -1.189 8.100 779 HG LEU 97 HG LEU 97 -0.613 -1.109 5.898 780 HD11 LEU 97 HD11 LEU 97 1.509 -2.158 6.551 781 HD12 LEU 97 HD12 LEU 97 0.787 -2.982 5.171 782 HD13 LEU 97 HD13 LEU 97 0.685 -3.705 6.779 783 HD21 LEU 97 HD21 LEU 97 -2.772 -2.243 6.088 784 HD22 LEU 97 HD22 LEU 97 -1.970 -3.749 6.548 785 HD23 LEU 97 HD23 LEU 97 -1.739 -3.080 4.929 786 H GLU 98 H GLU 98 1.713 0.637 6.974 787 HA GLU 98 HA GLU 98 0.137 3.147 7.230 788 HB2 GLU 98 HB2 GLU 98 3.171 2.875 7.445 789 HB3 GLU 98 HB3 GLU 98 2.291 4.398 7.443 790 HG2 GLU 98 HG2 GLU 98 1.471 4.094 9.617 791 HG3 GLU 98 HG3 GLU 98 1.636 2.340 9.553 792 H ILE 99 H ILE 99 -0.641 3.388 5.197 793 HA ILE 99 HA ILE 99 1.121 2.993 2.850 794 HB ILE 99 HB ILE 99 -1.929 3.155 3.059 795 HG12 ILE 99 HG12 ILE 99 -1.801 0.863 1.935 796 HG13 ILE 99 HG13 ILE 99 -0.060 0.917 2.145 797 HG21 ILE 99 HG21 ILE 99 -0.270 3.070 0.509 798 HG22 ILE 99 HG22 ILE 99 -1.315 4.390 1.042 799 HG23 ILE 99 HG23 ILE 99 -2.021 2.838 0.584 800 HD11 ILE 99 HD11 ILE 99 -1.153 -0.483 3.785 801 HD12 ILE 99 HD12 ILE 99 -2.099 0.890 4.358 802 HD13 ILE 99 HD13 ILE 99 -0.346 0.882 4.553 803 H THR 100 H THR 100 2.142 4.809 2.229 804 HA THR 100 HA THR 100 1.086 7.493 2.736 805 HB THR 100 HB THR 100 3.740 6.550 1.561 806 HG1 THR 100 HG1 THR 100 4.118 6.251 3.624 807 HG21 THR 100 HG21 THR 100 3.203 8.783 0.672 808 HG22 THR 100 HG22 THR 100 4.529 8.879 1.832 809 HG23 THR 100 HG23 THR 100 2.903 9.376 2.309 810 H ASP 101 H ASP 101 -0.167 8.429 1.247 811 HA ASP 101 HA ASP 101 0.242 7.990 -1.643 812 HB2 ASP 101 HB2 ASP 101 -1.644 6.552 -0.936 813 HB3 ASP 101 HB3 ASP 101 -2.422 7.921 -0.146 814 H PHE 102 H PHE 102 -0.782 9.758 -2.933 815 HA PHE 102 HA PHE 102 -0.859 12.369 -1.517 816 HB2 PHE 102 HB2 PHE 102 -0.103 11.676 -4.393 817 HB3 PHE 102 HB3 PHE 102 -0.380 13.325 -3.846 818 HD1 PHE 102 HD2 PHE 102 1.778 10.321 -3.241 819 HD2 PHE 102 HD1 PHE 102 1.377 14.561 -2.805 820 HE1 PHE 102 HE2 PHE 102 4.099 10.467 -2.455 821 HE2 PHE 102 HE1 PHE 102 3.705 14.688 -2.022 822 HZ PHE 102 HZ PHE 102 5.064 12.644 -1.841 823 H SER 103 H SER 103 -2.893 13.155 -1.289 824 HA SER 103 HA SER 103 -4.859 12.865 -3.475 825 HB2 SER 103 HB2 SER 103 -5.361 12.338 -0.519 826 HB3 SER 103 HB3 SER 103 -6.640 12.496 -1.728 827 HG SER 103 HG SER 103 -4.539 10.569 -1.788 828 H GLU 104 H GLU 104 -6.143 14.591 -3.850 829 HA GLU 104 HA GLU 104 -5.332 17.185 -3.023 830 HB2 GLU 104 HB2 GLU 104 -7.876 16.332 -4.469 831 HB3 GLU 104 HB3 GLU 104 -7.230 17.972 -4.394 832 HG2 GLU 104 HG2 GLU 104 -5.207 17.187 -5.618 833 HG3 GLU 104 HG3 GLU 104 -5.934 15.584 -5.737 834 H ALA 105 H ALA 105 -6.523 18.778 -1.801 835 HA ALA 105 HA ALA 105 -7.869 18.188 0.510 836 HB1 ALA 105 HB1 ALA 105 -8.287 20.662 -1.200 837 HB2 ALA 105 HB2 ALA 105 -6.982 20.421 -0.036 838 HB3 ALA 105 HB3 ALA 105 -8.653 20.522 0.523 839 H ASP 106 H ASP 106 -9.358 18.743 -2.669 840 HA ASP 106 HA ASP 106 -12.076 18.722 -1.895 841 HB2 ASP 106 HB2 ASP 106 -11.238 19.648 -4.039 842 HB3 ASP 106 HB3 ASP 106 -10.849 18.020 -4.591 843 H GLU 107 H GLU 107 -9.860 16.063 -2.417 844 HA GLU 107 HA GLU 107 -12.081 14.083 -2.375 845 HB2 GLU 107 HB2 GLU 107 -10.760 12.591 -3.683 846 HB3 GLU 107 HB3 GLU 107 -10.622 14.162 -4.464 847 HG2 GLU 107 HG2 GLU 107 -8.410 14.482 -3.356 848 HG3 GLU 107 HG3 GLU 107 -8.546 12.866 -2.665 849 H ALA 108 H ALA 108 -9.673 15.397 -0.450 850 HA ALA 108 HA ALA 108 -8.443 13.221 0.828 851 HB1 ALA 108 HB1 ALA 108 -7.930 14.785 2.659 852 HB2 ALA 108 HB2 ALA 108 -9.121 15.931 2.031 853 HB3 ALA 108 HB3 ALA 108 -7.678 15.550 1.089 854 H ASP 109 H ASP 109 -11.531 14.796 1.455 855 HA ASP 109 HA ASP 109 -12.400 13.567 3.801 856 HB2 ASP 109 HB2 ASP 109 -14.041 14.344 1.353 857 HB3 ASP 109 HB3 ASP 109 -14.689 14.063 2.971 858 H ASP 110 H ASP 110 -12.570 12.391 0.468 859 HA ASP 110 HA ASP 110 -14.060 9.997 0.941 860 HB2 ASP 110 HB2 ASP 110 -13.914 11.108 -1.279 861 HB3 ASP 110 HB3 ASP 110 -12.194 10.749 -1.353 862 H LEU 111 H LEU 111 -10.580 10.699 0.662 863 HA LEU 111 HA LEU 111 -9.666 8.012 0.948 864 HB2 LEU 111 HB2 LEU 111 -8.362 10.712 0.980 865 HB3 LEU 111 HB3 LEU 111 -7.445 9.355 1.599 866 HG LEU 111 HG LEU 111 -6.849 9.714 -0.718 867 HD11 LEU 111 HD11 LEU 111 -8.559 7.222 -0.534 868 HD12 LEU 111 HD12 LEU 111 -6.893 7.384 0.024 869 HD13 LEU 111 HD13 LEU 111 -7.258 7.523 -1.694 870 HD21 LEU 111 HD21 LEU 111 -9.785 9.409 -1.435 871 HD22 LEU 111 HD22 LEU 111 -8.447 9.569 -2.578 872 HD23 LEU 111 HD23 LEU 111 -8.840 10.900 -1.495 873 H LYS 112 H LYS 112 -10.223 10.556 3.330 874 HA LYS 112 HA LYS 112 -9.202 9.241 5.590 875 HB2 LYS 112 HB2 LYS 112 -11.532 11.175 5.383 876 HB3 LYS 112 HB3 LYS 112 -10.841 10.635 6.908 877 HG2 LYS 112 HG2 LYS 112 -9.324 12.202 4.781 878 HG3 LYS 112 HG3 LYS 112 -10.092 12.908 6.200 879 HD2 LYS 112 HD2 LYS 112 -7.919 12.754 6.977 880 HD3 LYS 112 HD3 LYS 112 -8.519 11.185 7.505 881 HE2 LYS 112 HE2 LYS 112 -7.475 10.106 5.553 882 HE3 LYS 112 HE3 LYS 112 -6.941 11.673 4.943 883 HZ1 LYS 112 HZ1 LYS 112 -5.177 10.509 6.083 884 HZ2 LYS 112 HZ2 LYS 112 -6.094 10.430 7.499 885 HZ3 LYS 112 HZ3 LYS 112 -5.578 11.929 6.903 886 H GLU 113 H GLU 113 -12.279 8.836 3.881 887 HA GLU 113 HA GLU 113 -13.518 7.054 5.722 888 HB2 GLU 113 HB2 GLU 113 -13.900 7.390 2.723 889 HB3 GLU 113 HB3 GLU 113 -14.900 6.335 3.715 890 HG2 GLU 113 HG2 GLU 113 -14.633 9.335 4.087 891 HG3 GLU 113 HG3 GLU 113 -15.957 8.534 3.242 892 H LEU 114 H LEU 114 -11.037 6.506 3.251 893 HA LEU 114 HA LEU 114 -11.272 3.694 3.019 894 HB2 LEU 114 HB2 LEU 114 -9.035 5.644 2.485 895 HB3 LEU 114 HB3 LEU 114 -8.640 3.938 2.519 896 HG LEU 114 HG LEU 114 -9.006 4.732 0.218 897 HD11 LEU 114 HD11 LEU 114 -11.157 2.790 1.105 898 HD12 LEU 114 HD12 LEU 114 -9.481 2.391 0.722 899 HD13 LEU 114 HD13 LEU 114 -10.550 2.993 -0.543 900 HD21 LEU 114 HD21 LEU 114 -10.606 6.531 0.610 901 HD22 LEU 114 HD22 LEU 114 -11.849 5.369 1.076 902 HD23 LEU 114 HD23 LEU 114 -11.241 5.400 -0.581 903 H TRP 115 H TRP 115 -9.110 5.602 5.213 904 HA TRP 115 HA TRP 115 -8.188 3.189 6.522 905 HB2 TRP 115 HB2 TRP 115 -6.628 4.477 7.674 906 HB3 TRP 115 HB3 TRP 115 -6.861 5.443 6.229 907 HD1 TRP 115 HD1 TRP 115 -8.446 7.749 6.604 908 HE1 TRP 115 HE1 TRP 115 -8.630 9.255 8.681 909 HE3 TRP 115 HE3 TRP 115 -6.521 4.571 10.112 910 HZ2 TRP 115 HZ2 TRP 115 -8.018 9.131 11.434 911 HZ3 TRP 115 HZ3 TRP 115 -6.338 5.335 12.445 912 HH2 TRP 115 HH2 TRP 115 -7.074 7.577 13.095 913 H ASP 116 H ASP 116 -10.508 5.766 7.309 914 HA ASP 116 HA ASP 116 -10.921 5.066 10.034 915 HB2 ASP 116 HB2 ASP 116 -11.415 7.315 9.079 916 HB3 ASP 116 HB3 ASP 116 -12.760 6.627 8.173 917 H SER 117 H SER 117 -12.735 4.182 7.061 918 HA SER 117 HA SER 117 -14.773 2.645 8.301 919 HB2 SER 117 HB2 SER 117 -13.533 2.331 5.535 920 HB3 SER 117 HB3 SER 117 -14.930 1.398 6.088 921 HG SER 117 HG SER 117 -14.829 4.236 6.068 922 H GLN 118 H GLN 118 -11.570 1.648 7.022 923 HA GLN 118 HA GLN 118 -11.815 -1.098 7.665 924 HB2 GLN 118 HB2 GLN 118 -9.468 0.682 7.000 925 HB3 GLN 118 HB3 GLN 118 -9.202 -0.996 7.467 926 HG2 GLN 118 HG2 GLN 118 -11.010 -0.170 5.176 927 HG3 GLN 118 HG3 GLN 118 -9.306 -0.583 4.984 928 HE21 GLN 118 HE21 GLN 118 -9.260 -2.748 6.890 929 HE22 GLN 118 HE22 GLN 118 -10.160 -4.048 6.206 930 H VAL 119 H VAL 119 -10.677 1.601 9.653 931 HA VAL 119 HA VAL 119 -9.646 -0.041 11.794 932 HB VAL 119 HB VAL 119 -10.360 2.928 11.702 933 HG11 VAL 119 HG11 VAL 119 -10.554 2.140 14.038 934 HG12 VAL 119 HG12 VAL 119 -9.134 3.166 13.849 935 HG13 VAL 119 HG13 VAL 119 -8.948 1.413 13.942 936 HG21 VAL 119 HG21 VAL 119 -8.430 2.295 10.284 937 HG22 VAL 119 HG22 VAL 119 -7.654 1.520 11.667 938 HG23 VAL 119 HG23 VAL 119 -7.902 3.267 11.660 939 H SER 120 H SER 120 -12.692 1.801 11.307 940 HA SER 120 HA SER 120 -13.918 1.103 13.780 941 HB2 SER 120 HB2 SER 120 -14.681 3.043 12.481 942 HB3 SER 120 HB3 SER 120 -15.235 1.987 11.181 943 HG SER 120 HG SER 120 -16.654 2.800 13.167 944 H LYS 121 H LYS 121 -14.210 -0.329 10.549 945 HA LYS 121 HA LYS 121 -16.011 -2.418 11.200 946 HB2 LYS 121 HB2 LYS 121 -14.028 -2.124 8.920 947 HB3 LYS 121 HB3 LYS 121 -15.136 -3.486 9.047 948 HG2 LYS 121 HG2 LYS 121 -17.059 -2.017 8.820 949 HG3 LYS 121 HG3 LYS 121 -16.025 -0.587 8.883 950 HD2 LYS 121 HD2 LYS 121 -16.692 -1.039 6.571 951 HD3 LYS 121 HD3 LYS 121 -14.953 -1.263 6.753 952 HE2 LYS 121 HE2 LYS 121 -15.301 -3.729 6.865 953 HE3 LYS 121 HE3 LYS 121 -17.035 -3.487 6.650 954 HZ1 LYS 121 HZ1 LYS 121 -14.915 -2.751 4.713 955 HZ2 LYS 121 HZ2 LYS 121 -16.568 -2.489 4.493 956 HZ3 LYS 121 HZ3 LYS 121 -15.966 -4.066 4.582 957 H LEU 122 H LEU 122 -12.463 -2.199 11.323 958 HA LEU 122 HA LEU 122 -11.902 -4.902 11.967 959 HB2 LEU 122 HB2 LEU 122 -10.176 -3.313 11.285 960 HB3 LEU 122 HB3 LEU 122 -10.431 -2.385 12.754 961 HG LEU 122 HG LEU 122 -9.692 -4.444 14.065 962 HD11 LEU 122 HD11 LEU 122 -10.056 -6.163 12.356 963 HD12 LEU 122 HD12 LEU 122 -8.382 -6.157 12.911 964 HD13 LEU 122 HD13 LEU 122 -8.789 -5.446 11.348 965 HD21 LEU 122 HD21 LEU 122 -8.242 -2.520 13.728 966 HD22 LEU 122 HD22 LEU 122 -7.676 -3.192 12.196 967 HD23 LEU 122 HD23 LEU 122 -7.321 -4.021 13.712 968 H ARG 123 H ARG 123 -12.832 -2.147 13.998 969 HA ARG 123 HA ARG 123 -12.461 -3.231 16.567 970 HB2 ARG 123 HB2 ARG 123 -14.407 -1.171 15.478 971 HB3 ARG 123 HB3 ARG 123 -14.346 -1.559 17.193 972 HG2 ARG 123 HG2 ARG 123 -12.139 -0.694 17.425 973 HG3 ARG 123 HG3 ARG 123 -11.889 -0.647 15.680 974 HD2 ARG 123 HD2 ARG 123 -12.281 1.601 16.767 975 HD3 ARG 123 HD3 ARG 123 -13.354 1.226 15.418 976 HE ARG 123 HE ARG 123 -14.821 0.445 17.541 977 HH11 ARG 123 HH11 ARG 123 -13.106 3.402 17.029 978 HH12 ARG 123 HH12 ARG 123 -14.299 4.347 17.846 979 HH21 ARG 123 HH21 ARG 123 -16.322 1.667 18.553 980 HH22 ARG 123 HH22 ARG 123 -16.094 3.375 18.707 981 H ARG 124 H ARG 124 -15.347 -3.386 14.450 982 HA ARG 124 HA ARG 124 -16.863 -5.026 16.305 983 HB2 ARG 124 HB2 ARG 124 -18.594 -5.082 14.538 984 HB3 ARG 124 HB3 ARG 124 -18.039 -3.442 14.855 985 HG2 ARG 124 HG2 ARG 124 -16.656 -3.493 12.818 986 HG3 ARG 124 HG3 ARG 124 -17.159 -5.155 12.500 987 HD2 ARG 124 HD2 ARG 124 -18.992 -2.727 12.559 988 HD3 ARG 124 HD3 ARG 124 -18.394 -3.537 11.105 989 HE ARG 124 HE ARG 124 -19.798 -5.302 12.888 990 HH11 ARG 124 HH11 ARG 124 -20.279 -3.052 10.318 991 HH12 ARG 124 HH12 ARG 124 -21.803 -3.730 9.880 992 HH21 ARG 124 HH21 ARG 124 -21.720 -6.146 12.308 993 HH22 ARG 124 HH22 ARG 124 -22.605 -5.460 10.993 994 H THR 125 H THR 125 -14.758 -5.648 13.561 995 HA THR 125 HA THR 125 -15.549 -8.384 13.072 996 HB THR 125 HB THR 125 -13.169 -6.727 12.134 997 HG1 THR 125 HG1 THR 125 -14.547 -6.175 10.641 998 HG21 THR 125 HG21 THR 125 -12.392 -9.051 12.122 999 HG22 THR 125 HG22 THR 125 -12.680 -8.498 10.473 1000 HG23 THR 125 HG23 THR 125 -13.851 -9.560 11.263 1001 H CYS 126 H CYS 126 -12.975 -6.816 14.917 1002 HA CYS 126 HA CYS 126 -11.293 -7.476 16.273 1003 HB2 CYS 126 HB2 CYS 126 -13.255 -9.709 16.945 1004 HB3 CYS 126 HB3 CYS 126 -11.836 -9.295 17.908 1005 HG CYS 126 HG CYS 126 -13.142 -6.481 17.789 1006 H GLY 127 H GLY 127 -11.032 -8.347 13.567 1007 HA2 GLY 127 HA2 GLY 127 -8.850 -10.130 13.693 1008 HA3 GLY 127 HA3 GLY 127 -10.278 -11.039 13.207 1009 H PHE 128 H PHE 128 -8.977 -11.414 11.248 1010 HA PHE 128 HA PHE 128 -8.009 -9.450 9.511 1011 HB2 PHE 128 HB2 PHE 128 -8.066 -11.276 7.738 1012 HB3 PHE 128 HB3 PHE 128 -7.247 -11.711 9.232 1013 HD1 PHE 128 HD2 PHE 128 -10.238 -12.353 7.138 1014 HD2 PHE 128 HD1 PHE 128 -8.171 -13.421 10.729 1015 HE1 PHE 128 HE2 PHE 128 -11.662 -14.347 7.376 1016 HE2 PHE 128 HE1 PHE 128 -9.600 -15.406 10.958 1017 HZ PHE 128 HZ PHE 128 -11.344 -15.871 9.284 1018 H LEU 129 H LEU 129 -8.829 -8.202 7.930 1019 HA LEU 129 HA LEU 129 -11.616 -8.569 6.995 1020 HB2 LEU 129 HB2 LEU 129 -11.480 -6.738 8.699 1021 HB3 LEU 129 HB3 LEU 129 -10.311 -5.908 7.686 1022 HG LEU 129 HG LEU 129 -12.030 -5.598 5.926 1023 HD11 LEU 129 HD11 LEU 129 -14.402 -6.108 6.351 1024 HD12 LEU 129 HD12 LEU 129 -13.964 -6.922 7.855 1025 HD13 LEU 129 HD13 LEU 129 -13.419 -7.573 6.307 1026 HD21 LEU 129 HD21 LEU 129 -11.709 -3.847 7.606 1027 HD22 LEU 129 HD22 LEU 129 -12.913 -4.604 8.653 1028 HD23 LEU 129 HD23 LEU 129 -13.397 -3.925 7.097 1029 H GLU 130 H GLU 130 -10.718 -9.641 5.218 1030 HA GLU 130 HA GLU 130 -8.716 -8.327 3.522 1031 HB2 GLU 130 HB2 GLU 130 -9.898 -11.134 3.362 1032 HB3 GLU 130 HB3 GLU 130 -8.525 -10.536 2.432 1033 HG2 GLU 130 HG2 GLU 130 -7.203 -10.295 4.474 1034 HG3 GLU 130 HG3 GLU 130 -8.578 -10.785 5.460 1035 H HIS 131 H HIS 131 -9.947 -6.703 2.483 1036 HA HIS 131 HA HIS 131 -12.248 -7.354 0.854 1037 HB2 HIS 131 HB2 HIS 131 -11.980 -4.970 -0.002 1038 HB3 HIS 131 HB3 HIS 131 -12.251 -5.146 1.723 1039 HD1 HIS 131 HD1 HIS 131 -11.122 -3.181 2.686 1040 HD2 HIS 131 HD2 HIS 131 -8.696 -5.029 -0.130 1041 HE1 HIS 131 HE1 HIS 131 -8.940 -1.950 2.776 1042 HE2 HIS 131 HE2 HIS 131 -7.594 -2.926 0.896 1043 H HIS 132 H HIS 132 -12.360 -7.671 -1.377 1044 HA HIS 132 HA HIS 132 -9.769 -8.113 -2.769 1045 HB2 HIS 132 HB2 HIS 132 -11.230 -10.158 -2.271 1046 HB3 HIS 132 HB3 HIS 132 -12.396 -9.515 -3.422 1047 HD1 HIS 132 HD1 HIS 132 -11.977 -10.025 -5.846 1048 HD2 HIS 132 HD2 HIS 132 -8.667 -10.820 -3.478 1049 HE1 HIS 132 HE1 HIS 132 -10.308 -11.099 -7.371 1050 HE2 HIS 132 HE2 HIS 132 -8.433 -11.794 -5.852 1051 H HIS 133 H HIS 133 -9.363 -6.829 -4.490 1052 HA HIS 133 HA HIS 133 -11.599 -5.382 -5.813 1053 HB2 HIS 133 HB2 HIS 133 -9.948 -3.477 -6.138 1054 HB3 HIS 133 HB3 HIS 133 -10.452 -3.764 -4.483 1055 HD1 HIS 133 HD1 HIS 133 -8.617 -3.947 -2.805 1056 HD2 HIS 133 HD2 HIS 133 -7.221 -4.531 -6.670 1057 HE1 HIS 133 HE1 HIS 133 -6.124 -4.108 -2.599 1058 HE2 HIS 133 HE2 HIS 133 -5.347 -4.726 -4.904 1059 H HIS 134 H HIS 134 -11.673 -5.324 -7.978 1060 HA HIS 134 HA HIS 134 -9.362 -5.724 -9.688 1061 HB2 HIS 134 HB2 HIS 134 -11.343 -7.911 -9.298 1062 HB3 HIS 134 HB3 HIS 134 -11.148 -7.482 -10.989 1063 HD1 HIS 134 HD1 HIS 134 -8.860 -7.986 -12.086 1064 HD2 HIS 134 HD2 HIS 134 -9.137 -9.234 -8.136 1065 HE1 HIS 134 HE1 HIS 134 -6.932 -9.536 -11.745 1066 HE2 HIS 134 HE2 HIS 134 -7.290 -10.487 -9.444 1067 H HIS 135 H HIS 135 -9.891 -5.341 -11.977 1068 HA HIS 135 HA HIS 135 -12.359 -3.765 -12.464 1069 HB2 HIS 135 HB2 HIS 135 -9.556 -3.230 -13.552 1070 HB3 HIS 135 HB3 HIS 135 -11.009 -2.375 -14.053 1071 HD1 HIS 135 HD1 HIS 135 -12.220 -0.964 -12.061 1072 HD2 HIS 135 HD2 HIS 135 -8.276 -2.097 -11.423 1073 HE1 HIS 135 HE1 HIS 135 -11.369 0.556 -10.254 1074 HE2 HIS 135 HE2 HIS 135 -8.942 -0.030 -10.013 1075 H HIS 136 H HIS 136 -12.046 -3.462 -15.245 1076 HA HIS 136 HA HIS 136 -12.408 -4.414 -17.253 1077 HB2 HIS 136 HB2 HIS 136 -10.140 -5.300 -17.091 1078 HB3 HIS 136 HB3 HIS 136 -10.693 -6.668 -16.137 1079 HD1 HIS 136 HD1 HIS 136 -11.672 -5.283 -19.562 1080 HD2 HIS 136 HD2 HIS 136 -10.667 -8.868 -17.718 1081 HE1 HIS 136 HE1 HIS 136 -11.806 -7.022 -21.365 1082 HE2 HIS 136 HE2 HIS 136 -11.112 -9.167 -20.248 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -7.548 24.291 -4.946 2 H2 MET 1 H2 MET 1 -8.692 24.196 -6.187 3 H3 MET 1 H3 MET 1 -7.141 24.784 -6.514 4 HA MET 1 HA MET 1 -7.831 22.043 -5.664 5 HB2 MET 1 HB2 MET 1 -6.882 23.038 -8.382 6 HB3 MET 1 HB3 MET 1 -7.120 21.348 -7.945 7 HG2 MET 1 HG2 MET 1 -9.000 22.118 -9.248 8 HG3 MET 1 HG3 MET 1 -9.534 21.801 -7.595 9 HE1 MET 1 HE1 MET 1 -11.784 23.216 -8.012 10 HE2 MET 1 HE2 MET 1 -11.283 23.547 -9.675 11 HE3 MET 1 HE3 MET 1 -11.786 24.870 -8.625 12 H LYS 2 H LYS 2 -6.296 21.670 -4.142 13 HA LYS 2 HA LYS 2 -3.498 21.520 -5.053 14 HB2 LYS 2 HB2 LYS 2 -2.643 22.362 -2.900 15 HB3 LYS 2 HB3 LYS 2 -3.637 23.580 -3.690 16 HG2 LYS 2 HG2 LYS 2 -5.517 23.014 -2.177 17 HG3 LYS 2 HG3 LYS 2 -4.503 21.809 -1.377 18 HD2 LYS 2 HD2 LYS 2 -2.960 23.592 -0.637 19 HD3 LYS 2 HD3 LYS 2 -3.940 24.804 -1.469 20 HE2 LYS 2 HE2 LYS 2 -5.846 24.272 0.033 21 HE3 LYS 2 HE3 LYS 2 -4.851 23.071 0.863 22 HZ1 LYS 2 HZ1 LYS 2 -4.267 25.973 0.715 23 HZ2 LYS 2 HZ2 LYS 2 -3.364 24.819 1.551 24 HZ3 LYS 2 HZ3 LYS 2 -4.938 25.177 2.046 25 H LYS 3 H LYS 3 -2.421 19.708 -4.350 26 HA LYS 3 HA LYS 3 -3.976 17.562 -3.187 27 HB2 LYS 3 HB2 LYS 3 -1.056 17.638 -4.050 28 HB3 LYS 3 HB3 LYS 3 -1.917 16.186 -3.534 29 HG2 LYS 3 HG2 LYS 3 -2.600 17.882 -5.962 30 HG3 LYS 3 HG3 LYS 3 -1.737 16.339 -5.990 31 HD2 LYS 3 HD2 LYS 3 -3.732 15.182 -5.115 32 HD3 LYS 3 HD3 LYS 3 -4.590 16.719 -4.983 33 HE2 LYS 3 HE2 LYS 3 -5.312 15.497 -6.981 34 HE3 LYS 3 HE3 LYS 3 -4.486 16.988 -7.437 35 HZ1 LYS 3 HZ1 LYS 3 -2.523 15.743 -7.955 36 HZ2 LYS 3 HZ2 LYS 3 -3.830 15.064 -8.782 37 HZ3 LYS 3 HZ3 LYS 3 -3.215 14.304 -7.407 38 H GLU 4 H GLU 4 -3.529 16.480 -1.321 39 HA GLU 4 HA GLU 4 -1.855 17.782 0.749 40 HB2 GLU 4 HB2 GLU 4 -4.223 18.269 1.225 41 HB3 GLU 4 HB3 GLU 4 -4.647 16.570 1.036 42 HG2 GLU 4 HG2 GLU 4 -3.273 16.015 3.026 43 HG3 GLU 4 HG3 GLU 4 -2.887 17.727 3.220 44 H LYS 5 H LYS 5 -0.207 16.403 1.075 45 HA LYS 5 HA LYS 5 -0.276 13.580 0.647 46 HB2 LYS 5 HB2 LYS 5 1.759 15.044 0.499 47 HB3 LYS 5 HB3 LYS 5 1.723 15.252 2.238 48 HG2 LYS 5 HG2 LYS 5 1.987 12.502 0.989 49 HG3 LYS 5 HG3 LYS 5 3.390 13.549 1.184 50 HD2 LYS 5 HD2 LYS 5 1.614 12.448 3.403 51 HD3 LYS 5 HD3 LYS 5 3.274 11.967 3.042 52 HE2 LYS 5 HE2 LYS 5 2.351 14.665 4.101 53 HE3 LYS 5 HE3 LYS 5 3.251 13.432 4.987 54 HZ1 LYS 5 HZ1 LYS 5 4.724 15.161 4.257 55 HZ2 LYS 5 HZ2 LYS 5 4.228 14.983 2.653 56 HZ3 LYS 5 HZ3 LYS 5 5.089 13.742 3.412 57 H ILE 6 H ILE 6 -0.854 11.985 2.036 58 HA ILE 6 HA ILE 6 -1.445 12.551 4.868 59 HB ILE 6 HB ILE 6 -3.624 11.475 4.796 60 HG12 ILE 6 HG12 ILE 6 -3.061 10.948 1.845 61 HG13 ILE 6 HG13 ILE 6 -3.286 9.750 3.124 62 HG21 ILE 6 HG21 ILE 6 -3.477 13.551 2.575 63 HG22 ILE 6 HG22 ILE 6 -3.617 13.887 4.302 64 HG23 ILE 6 HG23 ILE 6 -4.936 13.082 3.455 65 HD11 ILE 6 HD11 ILE 6 -5.639 10.417 3.306 66 HD12 ILE 6 HD12 ILE 6 -5.210 9.859 1.689 67 HD13 ILE 6 HD13 ILE 6 -5.404 11.584 2.000 68 H HIS 7 H HIS 7 -2.048 10.418 5.981 69 HA HIS 7 HA HIS 7 -0.603 8.083 5.035 70 HB2 HIS 7 HB2 HIS 7 0.647 7.914 7.287 71 HB3 HIS 7 HB3 HIS 7 1.255 9.095 6.130 72 HD1 HIS 7 HD1 HIS 7 -0.550 8.854 9.425 73 HD2 HIS 7 HD2 HIS 7 1.127 11.753 6.969 74 HE1 HIS 7 HE1 HIS 7 -0.536 10.958 10.785 75 HE2 HIS 7 HE2 HIS 7 0.375 12.725 9.241 76 H LEU 8 H LEU 8 -2.031 6.457 5.330 77 HA LEU 8 HA LEU 8 -3.875 6.539 7.646 78 HB2 LEU 8 HB2 LEU 8 -4.071 5.040 5.007 79 HB3 LEU 8 HB3 LEU 8 -5.135 4.717 6.359 80 HG LEU 8 HG LEU 8 -6.352 6.103 4.845 81 HD11 LEU 8 HD11 LEU 8 -6.889 8.082 6.158 82 HD12 LEU 8 HD12 LEU 8 -5.409 7.883 7.101 83 HD13 LEU 8 HD13 LEU 8 -6.686 6.667 7.191 84 HD21 LEU 8 HD21 LEU 8 -4.063 8.092 4.833 85 HD22 LEU 8 HD22 LEU 8 -5.610 8.264 3.997 86 HD23 LEU 8 HD23 LEU 8 -4.490 6.991 3.519 87 H GLU 9 H GLU 9 -3.211 5.355 9.356 88 HA GLU 9 HA GLU 9 -1.571 2.934 8.989 89 HB2 GLU 9 HB2 GLU 9 -2.264 4.396 11.584 90 HB3 GLU 9 HB3 GLU 9 -1.223 2.985 11.452 91 HG2 GLU 9 HG2 GLU 9 0.281 4.739 11.654 92 HG3 GLU 9 HG3 GLU 9 0.258 4.431 9.921 93 H TYR 10 H TYR 10 -2.607 1.061 8.916 94 HA TYR 10 HA TYR 10 -5.313 0.715 10.041 95 HB2 TYR 10 HB2 TYR 10 -3.868 -1.042 8.000 96 HB3 TYR 10 HB3 TYR 10 -5.562 -1.155 8.474 97 HD1 TYR 10 HD1 TYR 10 -6.963 1.126 8.096 98 HD2 TYR 10 HD2 TYR 10 -3.394 0.084 5.977 99 HE1 TYR 10 HE1 TYR 10 -7.602 2.638 6.268 100 HE2 TYR 10 HE2 TYR 10 -4.038 1.595 4.149 101 HH TYR 10 HH TYR 10 -6.445 3.918 4.423 102 H LEU 11 H LEU 11 -5.597 -0.706 11.723 103 HA LEU 11 HA LEU 11 -3.223 -2.011 12.853 104 HB2 LEU 11 HB2 LEU 11 -4.583 -2.313 14.922 105 HB3 LEU 11 HB3 LEU 11 -4.354 -0.642 14.459 106 HG LEU 11 HG LEU 11 -6.963 -2.111 13.866 107 HD11 LEU 11 HD11 LEU 11 -6.305 -0.497 16.351 108 HD12 LEU 11 HD12 LEU 11 -6.598 -2.237 16.282 109 HD13 LEU 11 HD13 LEU 11 -7.903 -1.114 15.911 110 HD21 LEU 11 HD21 LEU 11 -7.935 0.162 13.798 111 HD22 LEU 11 HD22 LEU 11 -6.647 -0.017 12.610 112 HD23 LEU 11 HD23 LEU 11 -6.342 0.862 14.110 113 H LEU 12 H LEU 12 -2.865 -3.904 11.893 114 HA LEU 12 HA LEU 12 -5.017 -5.879 11.484 115 HB2 LEU 12 HB2 LEU 12 -2.203 -5.622 10.400 116 HB3 LEU 12 HB3 LEU 12 -3.007 -7.177 10.359 117 HG LEU 12 HG LEU 12 -3.243 -6.105 8.200 118 HD11 LEU 12 HD11 LEU 12 -5.662 -6.189 7.913 119 HD12 LEU 12 HD12 LEU 12 -5.899 -6.062 9.659 120 HD13 LEU 12 HD13 LEU 12 -5.111 -7.486 8.974 121 HD21 LEU 12 HD21 LEU 12 -4.582 -3.771 9.608 122 HD22 LEU 12 HD22 LEU 12 -4.401 -3.977 7.862 123 HD23 LEU 12 HD23 LEU 12 -2.976 -3.760 8.873 124 H ASN 13 H ASN 13 -4.529 -8.176 12.032 125 HA ASN 13 HA ASN 13 -3.440 -8.282 14.788 126 HB2 ASN 13 HB2 ASN 13 -5.949 -8.590 14.419 127 HB3 ASN 13 HB3 ASN 13 -5.588 -10.087 13.577 128 HD21 ASN 13 HD21 ASN 13 -4.770 -11.851 14.804 129 HD22 ASN 13 HD22 ASN 13 -4.943 -11.917 16.519 130 H ALA 14 H ALA 14 -2.120 -9.941 15.417 131 HA ALA 14 HA ALA 14 -1.048 -11.900 15.595 132 HB1 ALA 14 HB1 ALA 14 -2.922 -13.032 14.456 133 HB2 ALA 14 HB2 ALA 14 -1.361 -13.778 14.102 134 HB3 ALA 14 HB3 ALA 14 -2.136 -12.741 12.901 135 H THR 15 H THR 15 0.797 -13.109 14.795 136 HA THR 15 HA THR 15 2.833 -11.320 13.795 137 HB THR 15 HB THR 15 3.109 -14.271 14.563 138 HG1 THR 15 HG1 THR 15 3.153 -13.697 16.618 139 HG21 THR 15 HG21 THR 15 5.437 -13.685 15.140 140 HG22 THR 15 HG22 THR 15 5.166 -12.032 14.592 141 HG23 THR 15 HG23 THR 15 5.112 -13.360 13.431 142 H SER 16 H SER 16 4.195 -11.679 11.975 143 HA SER 16 HA SER 16 4.914 -12.326 9.937 144 HB2 SER 16 HB2 SER 16 5.190 -14.560 10.991 145 HB3 SER 16 HB3 SER 16 3.549 -14.987 10.514 146 HG SER 16 HG SER 16 4.176 -14.951 8.372 147 H LYS 17 H LYS 17 2.228 -11.091 10.288 148 HA LYS 17 HA LYS 17 0.825 -11.887 7.824 149 HB2 LYS 17 HB2 LYS 17 0.122 -9.753 9.889 150 HB3 LYS 17 HB3 LYS 17 -0.902 -10.270 8.549 151 HG2 LYS 17 HG2 LYS 17 -0.052 -11.960 10.929 152 HG3 LYS 17 HG3 LYS 17 -1.659 -11.287 10.630 153 HD2 LYS 17 HD2 LYS 17 -1.865 -12.708 8.597 154 HD3 LYS 17 HD3 LYS 17 -0.262 -13.387 8.912 155 HE2 LYS 17 HE2 LYS 17 -1.091 -14.329 11.045 156 HE3 LYS 17 HE3 LYS 17 -2.688 -13.639 10.731 157 HZ1 LYS 17 HZ1 LYS 17 -1.313 -15.716 9.124 158 HZ2 LYS 17 HZ2 LYS 17 -2.787 -15.000 8.714 159 HZ3 LYS 17 HZ3 LYS 17 -2.663 -15.926 10.120 160 H ASN 18 H ASN 18 3.541 -10.578 7.912 161 HA ASN 18 HA ASN 18 3.296 -8.023 6.688 162 HB2 ASN 18 HB2 ASN 18 5.695 -8.321 6.063 163 HB3 ASN 18 HB3 ASN 18 5.371 -8.557 7.773 164 HD21 ASN 18 HD21 ASN 18 5.540 -10.636 8.652 165 HD22 ASN 18 HD22 ASN 18 6.349 -11.916 7.821 166 H ILE 19 H ILE 19 3.077 -11.259 5.492 167 HA ILE 19 HA ILE 19 3.756 -11.076 2.800 168 HB ILE 19 HB ILE 19 1.729 -12.858 4.208 169 HG12 ILE 19 HG12 ILE 19 3.491 -14.668 3.675 170 HG13 ILE 19 HG13 ILE 19 4.557 -13.372 3.156 171 HG21 ILE 19 HG21 ILE 19 2.562 -13.107 1.301 172 HG22 ILE 19 HG22 ILE 19 0.948 -12.731 1.905 173 HG23 ILE 19 HG23 ILE 19 1.650 -14.320 2.204 174 HD11 ILE 19 HD11 ILE 19 3.478 -13.806 5.932 175 HD12 ILE 19 HD12 ILE 19 4.522 -12.471 5.438 176 HD13 ILE 19 HD13 ILE 19 5.115 -14.130 5.363 177 H LEU 20 H LEU 20 0.881 -9.846 4.392 178 HA LEU 20 HA LEU 20 -1.103 -9.620 2.539 179 HB2 LEU 20 HB2 LEU 20 -0.169 -7.453 4.463 180 HB3 LEU 20 HB3 LEU 20 -1.711 -7.403 3.623 181 HG LEU 20 HG LEU 20 -0.928 -9.564 5.621 182 HD11 LEU 20 HD11 LEU 20 -2.657 -7.104 6.072 183 HD12 LEU 20 HD12 LEU 20 -1.052 -7.397 6.758 184 HD13 LEU 20 HD13 LEU 20 -2.411 -8.425 7.220 185 HD21 LEU 20 HD21 LEU 20 -2.614 -10.320 3.999 186 HD22 LEU 20 HD22 LEU 20 -3.627 -8.922 4.369 187 HD23 LEU 20 HD23 LEU 20 -3.320 -10.145 5.606 188 H TRP 21 H TRP 21 1.274 -6.982 3.012 189 HA TRP 21 HA TRP 21 0.895 -6.080 0.235 190 HB2 TRP 21 HB2 TRP 21 1.880 -4.664 2.718 191 HB3 TRP 21 HB3 TRP 21 2.137 -3.989 1.110 192 HD1 TRP 21 HD1 TRP 21 -0.728 -4.787 3.584 193 HE1 TRP 21 HE1 TRP 21 -2.778 -3.387 2.904 194 HE3 TRP 21 HE3 TRP 21 0.979 -2.910 -0.860 195 HZ2 TRP 21 HZ2 TRP 21 -3.580 -1.723 0.775 196 HZ3 TRP 21 HZ3 TRP 21 -0.490 -1.422 -2.161 197 HH2 TRP 21 HH2 TRP 21 -2.722 -0.837 -1.361 198 H SER 22 H SER 22 3.256 -7.738 2.167 199 HA SER 22 HA SER 22 5.606 -7.041 0.726 200 HB2 SER 22 HB2 SER 22 5.707 -8.349 2.827 201 HB3 SER 22 HB3 SER 22 4.956 -9.724 2.025 202 HG SER 22 HG SER 22 7.540 -9.043 2.112 203 H ALA 23 H ALA 23 2.864 -8.850 -0.230 204 HA ALA 23 HA ALA 23 3.742 -10.467 -2.345 205 HB1 ALA 23 HB1 ALA 23 1.157 -8.890 -2.142 206 HB2 ALA 23 HB2 ALA 23 1.447 -10.482 -1.441 207 HB3 ALA 23 HB3 ALA 23 1.439 -10.281 -3.194 208 H ILE 24 H ILE 24 3.323 -6.938 -2.262 209 HA ILE 24 HA ILE 24 3.226 -6.540 -5.098 210 HB ILE 24 HB ILE 24 3.245 -4.159 -4.695 211 HG12 ILE 24 HG12 ILE 24 4.327 -4.860 -1.935 212 HG13 ILE 24 HG13 ILE 24 5.054 -3.818 -3.146 213 HG21 ILE 24 HG21 ILE 24 1.150 -5.340 -4.164 214 HG22 ILE 24 HG22 ILE 24 1.355 -3.926 -3.130 215 HG23 ILE 24 HG23 ILE 24 1.673 -5.539 -2.486 216 HD11 ILE 24 HD11 ILE 24 4.227 -2.532 -1.298 217 HD12 ILE 24 HD12 ILE 24 2.620 -3.224 -1.476 218 HD13 ILE 24 HD13 ILE 24 3.266 -2.160 -2.731 219 H SER 25 H SER 25 5.865 -7.154 -3.033 220 HA SER 25 HA SER 25 7.908 -5.746 -4.528 221 HB2 SER 25 HB2 SER 25 9.497 -6.840 -3.072 222 HB3 SER 25 HB3 SER 25 8.107 -6.397 -2.090 223 HG SER 25 HG SER 25 7.797 -8.425 -1.659 224 H THR 26 H THR 26 6.216 -8.718 -4.920 225 HA THR 26 HA THR 26 8.170 -9.725 -6.910 226 HB THR 26 HB THR 26 7.107 -11.982 -6.600 227 HG1 THR 26 HG1 THR 26 5.391 -10.529 -5.027 228 HG21 THR 26 HG21 THR 26 9.181 -11.467 -5.398 229 HG22 THR 26 HG22 THR 26 8.136 -12.503 -4.421 230 HG23 THR 26 HG23 THR 26 8.258 -10.779 -4.059 231 HA PRO 27 HA PRO 27 5.150 -9.251 -10.284 232 HB2 PRO 27 HB2 PRO 27 5.828 -11.669 -11.608 233 HB3 PRO 27 HB3 PRO 27 6.602 -10.100 -11.864 234 HG2 PRO 27 HG2 PRO 27 7.450 -12.373 -10.069 235 HG3 PRO 27 HG3 PRO 27 8.445 -11.352 -11.136 236 HD2 PRO 27 HD2 PRO 27 8.430 -10.906 -8.528 237 HD3 PRO 27 HD3 PRO 27 8.361 -9.521 -9.641 238 H THR 28 H THR 28 5.475 -12.710 -9.315 239 HA THR 28 HA THR 28 2.834 -13.475 -9.836 240 HB THR 28 HB THR 28 3.385 -15.539 -8.515 241 HG1 THR 28 HG1 THR 28 5.336 -15.666 -7.443 242 HG21 THR 28 HG21 THR 28 5.277 -16.299 -9.918 243 HG22 THR 28 HG22 THR 28 5.623 -14.631 -10.379 244 HG23 THR 28 HG23 THR 28 4.112 -15.393 -10.885 245 H GLY 29 H GLY 29 4.269 -12.246 -6.833 246 HA2 GLY 29 HA2 GLY 29 2.057 -12.725 -5.101 247 HA3 GLY 29 HA3 GLY 29 3.316 -11.526 -4.856 248 H LEU 30 H LEU 30 2.928 -9.943 -7.120 249 HA LEU 30 HA LEU 30 0.903 -8.154 -6.255 250 HB2 LEU 30 HB2 LEU 30 3.140 -8.071 -8.002 251 HB3 LEU 30 HB3 LEU 30 1.780 -7.641 -9.015 252 HG LEU 30 HG LEU 30 2.508 -6.213 -6.441 253 HD11 LEU 30 HD11 LEU 30 3.370 -4.399 -7.839 254 HD12 LEU 30 HD12 LEU 30 3.084 -5.367 -9.290 255 HD13 LEU 30 HD13 LEU 30 4.271 -5.894 -8.093 256 HD21 LEU 30 HD21 LEU 30 0.129 -6.019 -6.981 257 HD22 LEU 30 HD22 LEU 30 0.530 -5.430 -8.597 258 HD23 LEU 30 HD23 LEU 30 0.956 -4.473 -7.174 259 H GLU 31 H GLU 31 1.062 -10.361 -9.060 260 HA GLU 31 HA GLU 31 -1.279 -9.491 -10.387 261 HB2 GLU 31 HB2 GLU 31 -1.075 -11.479 -11.774 262 HB3 GLU 31 HB3 GLU 31 0.507 -10.758 -11.508 263 HG2 GLU 31 HG2 GLU 31 1.033 -12.471 -9.842 264 HG3 GLU 31 HG3 GLU 31 -0.565 -13.189 -10.046 265 H ASP 32 H ASP 32 -0.967 -11.545 -7.641 266 HA ASP 32 HA ASP 32 -3.258 -13.182 -7.910 267 HB2 ASP 32 HB2 ASP 32 -1.441 -13.707 -6.350 268 HB3 ASP 32 HB3 ASP 32 -1.776 -12.249 -5.418 269 H TRP 33 H TRP 33 -2.895 -9.857 -6.790 270 HA TRP 33 HA TRP 33 -5.813 -9.631 -6.389 271 HB2 TRP 33 HB2 TRP 33 -5.550 -8.466 -4.255 272 HB3 TRP 33 HB3 TRP 33 -4.821 -10.061 -4.163 273 HD1 TRP 33 HD1 TRP 33 -1.899 -9.808 -4.853 274 HE1 TRP 33 HE1 TRP 33 -0.292 -8.210 -3.647 275 HE3 TRP 33 HE3 TRP 33 -5.311 -6.514 -2.945 276 HZ2 TRP 33 HZ2 TRP 33 -0.442 -5.863 -2.077 277 HZ3 TRP 33 HZ3 TRP 33 -4.502 -4.618 -1.596 278 HH2 TRP 33 HH2 TRP 33 -2.115 -4.304 -1.173 279 H PHE 34 H PHE 34 -3.310 -8.487 -8.106 280 HA PHE 34 HA PHE 34 -4.766 -6.010 -8.747 281 HB2 PHE 34 HB2 PHE 34 -2.880 -5.356 -7.191 282 HB3 PHE 34 HB3 PHE 34 -1.737 -6.051 -8.326 283 HD1 PHE 34 HD2 PHE 34 -4.317 -3.354 -7.977 284 HD2 PHE 34 HD1 PHE 34 -0.914 -4.744 -10.172 285 HE1 PHE 34 HE2 PHE 34 -4.212 -1.218 -9.189 286 HE2 PHE 34 HE1 PHE 34 -0.814 -2.598 -11.375 287 HZ PHE 34 HZ PHE 34 -2.469 -0.838 -10.889 288 H ALA 35 H ALA 35 -4.947 -5.778 -10.933 289 HA ALA 35 HA ALA 35 -4.892 -6.168 -13.149 290 HB1 ALA 35 HB1 ALA 35 -2.556 -5.365 -13.010 291 HB2 ALA 35 HB2 ALA 35 -2.753 -6.581 -14.273 292 HB3 ALA 35 HB3 ALA 35 -2.001 -7.022 -12.736 293 H ASP 36 H ASP 36 -4.475 -7.930 -14.890 294 HA ASP 36 HA ASP 36 -5.537 -10.477 -14.086 295 HB2 ASP 36 HB2 ASP 36 -4.264 -9.571 -16.710 296 HB3 ASP 36 HB3 ASP 36 -5.092 -11.115 -16.477 297 H LYS 37 H LYS 37 -2.360 -9.407 -15.318 298 HA LYS 37 HA LYS 37 -1.003 -11.280 -13.579 299 HB2 LYS 37 HB2 LYS 37 -1.353 -12.663 -15.620 300 HB3 LYS 37 HB3 LYS 37 -0.528 -11.439 -16.587 301 HG2 LYS 37 HG2 LYS 37 1.560 -11.864 -15.557 302 HG3 LYS 37 HG3 LYS 37 0.817 -12.753 -14.232 303 HD2 LYS 37 HD2 LYS 37 0.196 -14.558 -15.867 304 HD3 LYS 37 HD3 LYS 37 1.107 -13.687 -17.109 305 HE2 LYS 37 HE2 LYS 37 3.177 -13.952 -15.835 306 HE3 LYS 37 HE3 LYS 37 2.296 -14.674 -14.486 307 HZ1 LYS 37 HZ1 LYS 37 2.521 -15.840 -17.201 308 HZ2 LYS 37 HZ2 LYS 37 1.731 -16.537 -15.881 309 HZ3 LYS 37 HZ3 LYS 37 3.409 -16.326 -15.847 310 H VAL 38 H VAL 38 1.086 -10.673 -13.106 311 HA VAL 38 HA VAL 38 1.999 -8.053 -14.139 312 HB VAL 38 HB VAL 38 2.184 -9.204 -11.316 313 HG11 VAL 38 HG11 VAL 38 3.422 -7.130 -10.693 314 HG12 VAL 38 HG12 VAL 38 3.537 -6.707 -12.403 315 HG13 VAL 38 HG13 VAL 38 4.337 -8.163 -11.797 316 HG21 VAL 38 HG21 VAL 38 0.868 -6.655 -12.351 317 HG22 VAL 38 HG22 VAL 38 0.928 -7.166 -10.661 318 HG23 VAL 38 HG23 VAL 38 0.026 -8.122 -11.838 319 H VAL 39 H VAL 39 3.648 -8.419 -15.454 320 HA VAL 39 HA VAL 39 5.541 -10.633 -15.033 321 HB VAL 39 HB VAL 39 5.265 -8.735 -17.409 322 HG11 VAL 39 HG11 VAL 39 6.764 -11.374 -17.180 323 HG12 VAL 39 HG12 VAL 39 7.495 -9.772 -17.292 324 HG13 VAL 39 HG13 VAL 39 6.584 -10.422 -18.656 325 HG21 VAL 39 HG21 VAL 39 4.107 -11.538 -17.085 326 HG22 VAL 39 HG22 VAL 39 4.050 -10.568 -18.560 327 HG23 VAL 39 HG23 VAL 39 3.184 -10.031 -17.119 328 H SER 40 H SER 40 7.461 -10.228 -14.037 329 HA SER 40 HA SER 40 8.922 -7.726 -14.428 330 HB2 SER 40 HB2 SER 40 7.517 -7.135 -12.516 331 HB3 SER 40 HB3 SER 40 7.956 -8.621 -11.676 332 HG SER 40 HG SER 40 9.341 -6.246 -11.927 333 H ASP 41 H ASP 41 11.115 -7.911 -14.070 334 HA ASP 41 HA ASP 41 12.213 -10.537 -13.196 335 HB2 ASP 41 HB2 ASP 41 13.289 -8.727 -15.416 336 HB3 ASP 41 HB3 ASP 41 14.056 -10.211 -14.848 337 H ASP 42 H ASP 42 13.463 -7.269 -13.956 338 HA ASP 42 HA ASP 42 14.201 -6.679 -11.223 339 HB2 ASP 42 HB2 ASP 42 16.100 -8.166 -12.106 340 HB3 ASP 42 HB3 ASP 42 16.455 -6.910 -13.285 341 H LYS 43 H LYS 43 14.692 -4.473 -10.958 342 HA LYS 43 HA LYS 43 14.657 -2.257 -11.200 343 HB2 LYS 43 HB2 LYS 43 15.859 -1.201 -12.890 344 HB3 LYS 43 HB3 LYS 43 16.506 -2.832 -12.944 345 HG2 LYS 43 HG2 LYS 43 15.179 -3.335 -14.940 346 HG3 LYS 43 HG3 LYS 43 14.380 -1.768 -14.839 347 HD2 LYS 43 HD2 LYS 43 16.088 -1.716 -16.574 348 HD3 LYS 43 HD3 LYS 43 16.549 -0.641 -15.252 349 HE2 LYS 43 HE2 LYS 43 18.098 -2.380 -14.395 350 HE3 LYS 43 HE3 LYS 43 17.636 -3.444 -15.729 351 HZ1 LYS 43 HZ1 LYS 43 18.480 -1.749 -17.267 352 HZ2 LYS 43 HZ2 LYS 43 19.683 -2.322 -16.230 353 HZ3 LYS 43 HZ3 LYS 43 18.986 -0.810 -15.954 354 H THR 44 H THR 44 12.387 -4.023 -13.035 355 HA THR 44 HA THR 44 10.553 -1.742 -13.152 356 HB THR 44 HB THR 44 11.277 -3.310 -15.675 357 HG1 THR 44 HG1 THR 44 12.068 -0.863 -14.688 358 HG21 THR 44 HG21 THR 44 9.655 -1.837 -16.845 359 HG22 THR 44 HG22 THR 44 9.172 -1.158 -15.291 360 HG23 THR 44 HG23 THR 44 8.861 -2.859 -15.642 361 H VAL 45 H VAL 45 8.515 -2.364 -12.754 362 HA VAL 45 HA VAL 45 7.711 -5.216 -12.942 363 HB VAL 45 HB VAL 45 6.571 -2.985 -11.180 364 HG11 VAL 45 HG11 VAL 45 4.797 -4.544 -11.858 365 HG12 VAL 45 HG12 VAL 45 5.172 -4.735 -10.145 366 HG13 VAL 45 HG13 VAL 45 5.773 -5.913 -11.315 367 HG21 VAL 45 HG21 VAL 45 8.181 -5.452 -10.410 368 HG22 VAL 45 HG22 VAL 45 7.483 -4.284 -9.282 369 HG23 VAL 45 HG23 VAL 45 8.766 -3.785 -10.387 370 H THR 46 H THR 46 6.557 -5.546 -14.783 371 HA THR 46 HA THR 46 5.032 -3.343 -16.033 372 HB THR 46 HB THR 46 5.850 -6.023 -17.261 373 HG1 THR 46 HG1 THR 46 7.477 -4.727 -18.305 374 HG21 THR 46 HG21 THR 46 5.371 -4.909 -19.428 375 HG22 THR 46 HG22 THR 46 4.835 -3.461 -18.572 376 HG23 THR 46 HG23 THR 46 3.922 -4.967 -18.418 377 H PHE 47 H PHE 47 2.897 -3.323 -15.645 378 HA PHE 47 HA PHE 47 1.452 -5.682 -14.666 379 HB2 PHE 47 HB2 PHE 47 0.348 -2.862 -15.021 380 HB3 PHE 47 HB3 PHE 47 -0.251 -4.136 -13.961 381 HD1 PHE 47 HD1 PHE 47 0.959 -4.665 -11.845 382 HD2 PHE 47 HD2 PHE 47 2.190 -1.417 -14.343 383 HE1 PHE 47 HE1 PHE 47 2.271 -3.727 -9.996 384 HE2 PHE 47 HE2 PHE 47 3.507 -0.489 -12.482 385 HZ PHE 47 HZ PHE 47 3.547 -1.642 -10.304 386 H CYS 48 H CYS 48 0.253 -6.892 -16.045 387 HA CYS 48 HA CYS 48 -0.560 -5.815 -18.691 388 HB2 CYS 48 HB2 CYS 48 -0.104 -8.699 -17.822 389 HB3 CYS 48 HB3 CYS 48 -0.604 -8.187 -19.435 390 HG CYS 48 HG CYS 48 1.796 -6.693 -19.833 391 H TRP 49 H TRP 49 -2.656 -5.332 -18.863 392 HA TRP 49 HA TRP 49 -4.681 -6.629 -17.139 393 HB2 TRP 49 HB2 TRP 49 -4.699 -3.973 -18.627 394 HB3 TRP 49 HB3 TRP 49 -6.116 -4.639 -17.823 395 HD1 TRP 49 HD1 TRP 49 -5.894 -4.966 -15.084 396 HE1 TRP 49 HE1 TRP 49 -4.651 -3.508 -13.375 397 HE3 TRP 49 HE3 TRP 49 -2.700 -2.517 -18.244 398 HZ2 TRP 49 HZ2 TRP 49 -2.605 -1.587 -13.342 399 HZ3 TRP 49 HZ3 TRP 49 -1.126 -0.881 -17.292 400 HH2 TRP 49 HH2 TRP 49 -1.079 -0.422 -14.887 401 H GLY 50 H GLY 50 -4.739 -8.536 -18.456 402 HA2 GLY 50 HA2 GLY 50 -6.057 -9.890 -19.807 403 HA3 GLY 50 HA3 GLY 50 -6.786 -8.456 -20.519 404 H LYS 51 H LYS 51 -6.478 -8.612 -22.689 405 HA LYS 51 HA LYS 51 -4.091 -9.768 -23.870 406 HB2 LYS 51 HB2 LYS 51 -6.593 -9.755 -24.790 407 HB3 LYS 51 HB3 LYS 51 -6.166 -8.188 -25.455 408 HG2 LYS 51 HG2 LYS 51 -4.773 -10.823 -26.081 409 HG3 LYS 51 HG3 LYS 51 -5.962 -10.021 -27.109 410 HD2 LYS 51 HD2 LYS 51 -4.415 -8.115 -27.419 411 HD3 LYS 51 HD3 LYS 51 -3.237 -8.885 -26.354 412 HE2 LYS 51 HE2 LYS 51 -3.088 -10.790 -27.961 413 HE3 LYS 51 HE3 LYS 51 -4.184 -9.930 -29.046 414 HZ1 LYS 51 HZ1 LYS 51 -1.488 -9.043 -28.175 415 HZ2 LYS 51 HZ2 LYS 51 -2.547 -8.111 -29.107 416 HZ3 LYS 51 HZ3 LYS 51 -1.939 -9.566 -29.718 417 H THR 52 H THR 52 -5.644 -6.550 -24.179 418 HA THR 52 HA THR 52 -3.095 -5.280 -24.943 419 HB THR 52 HB THR 52 -4.441 -3.340 -25.590 420 HG1 THR 52 HG1 THR 52 -6.837 -3.609 -25.293 421 HG21 THR 52 HG21 THR 52 -4.403 -5.202 -27.234 422 HG22 THR 52 HG22 THR 52 -5.934 -4.325 -27.295 423 HG23 THR 52 HG23 THR 52 -5.849 -5.892 -26.487 424 H GLU 53 H GLU 53 -2.901 -2.916 -24.032 425 HA GLU 53 HA GLU 53 -2.730 -1.346 -22.447 426 HB2 GLU 53 HB2 GLU 53 -5.142 -1.573 -22.072 427 HB3 GLU 53 HB3 GLU 53 -4.868 -2.911 -20.961 428 HG2 GLU 53 HG2 GLU 53 -3.730 -1.395 -19.389 429 HG3 GLU 53 HG3 GLU 53 -3.939 -0.056 -20.512 430 H GLN 54 H GLN 54 -0.800 -1.296 -21.533 431 HA GLN 54 HA GLN 54 -0.281 -2.838 -19.107 432 HB2 GLN 54 HB2 GLN 54 1.922 -3.624 -19.858 433 HB3 GLN 54 HB3 GLN 54 0.657 -4.237 -20.920 434 HG2 GLN 54 HG2 GLN 54 1.250 -2.678 -22.663 435 HG3 GLN 54 HG3 GLN 54 2.361 -1.823 -21.601 436 HE21 GLN 54 HE21 GLN 54 4.366 -2.788 -21.101 437 HE22 GLN 54 HE22 GLN 54 5.012 -4.071 -22.057 438 H ARG 55 H ARG 55 1.207 -1.877 -17.694 439 HA ARG 55 HA ARG 55 2.493 0.681 -18.461 440 HB2 ARG 55 HB2 ARG 55 0.854 0.197 -15.929 441 HB3 ARG 55 HB3 ARG 55 1.978 1.544 -16.102 442 HG2 ARG 55 HG2 ARG 55 -0.469 1.069 -17.838 443 HG3 ARG 55 HG3 ARG 55 -0.362 2.216 -16.498 444 HD2 ARG 55 HD2 ARG 55 1.294 2.308 -19.050 445 HD3 ARG 55 HD3 ARG 55 -0.091 3.343 -18.681 446 HE ARG 55 HE ARG 55 1.483 3.865 -16.599 447 HH11 ARG 55 HH11 ARG 55 2.348 3.772 -19.958 448 HH12 ARG 55 HH12 ARG 55 3.581 4.966 -19.756 449 HH21 ARG 55 HH21 ARG 55 3.053 5.361 -16.396 450 HH22 ARG 55 HH22 ARG 55 3.963 5.854 -17.787 451 H GLN 56 H GLN 56 4.188 1.305 -16.797 452 HA GLN 56 HA GLN 56 5.562 -1.061 -15.647 453 HB2 GLN 56 HB2 GLN 56 6.842 0.962 -17.537 454 HB3 GLN 56 HB3 GLN 56 7.746 -0.204 -16.577 455 HG2 GLN 56 HG2 GLN 56 6.569 -2.054 -17.750 456 HG3 GLN 56 HG3 GLN 56 5.745 -0.864 -18.757 457 HE21 GLN 56 HE21 GLN 56 6.950 0.243 -20.337 458 HE22 GLN 56 HE22 GLN 56 8.505 -0.292 -20.850 459 H ALA 57 H ALA 57 6.545 -0.738 -13.738 460 HA ALA 57 HA ALA 57 7.271 1.936 -12.782 461 HB1 ALA 57 HB1 ALA 57 6.005 1.695 -10.664 462 HB2 ALA 57 HB2 ALA 57 5.307 0.177 -11.243 463 HB3 ALA 57 HB3 ALA 57 4.916 1.695 -12.054 464 H GLY 58 H GLY 58 9.294 1.723 -12.016 465 HA2 GLY 58 HA2 GLY 58 10.336 -0.893 -11.172 466 HA3 GLY 58 HA3 GLY 58 11.272 0.511 -11.640 467 H ILE 59 H ILE 59 11.644 -1.173 -9.335 468 HA ILE 59 HA ILE 59 10.761 0.294 -6.982 469 HB ILE 59 HB ILE 59 12.799 -1.996 -7.072 470 HG12 ILE 59 HG12 ILE 59 10.741 -3.384 -6.171 471 HG13 ILE 59 HG13 ILE 59 9.761 -2.117 -6.896 472 HG21 ILE 59 HG21 ILE 59 12.266 -2.278 -4.672 473 HG22 ILE 59 HG22 ILE 59 11.176 -0.893 -4.743 474 HG23 ILE 59 HG23 ILE 59 12.907 -0.668 -5.010 475 HD11 ILE 59 HD11 ILE 59 11.726 -3.881 -8.358 476 HD12 ILE 59 HD12 ILE 59 10.700 -2.642 -9.086 477 HD13 ILE 59 HD13 ILE 59 9.971 -4.061 -8.337 478 H VAL 60 H VAL 60 11.846 2.101 -6.264 479 HA VAL 60 HA VAL 60 14.664 2.542 -6.987 480 HB VAL 60 HB VAL 60 14.379 4.792 -5.887 481 HG11 VAL 60 HG11 VAL 60 14.052 4.538 -8.317 482 HG12 VAL 60 HG12 VAL 60 12.961 5.762 -7.667 483 HG13 VAL 60 HG13 VAL 60 12.347 4.154 -8.063 484 HG21 VAL 60 HG21 VAL 60 11.456 3.961 -5.602 485 HG22 VAL 60 HG22 VAL 60 12.097 5.577 -5.288 486 HG23 VAL 60 HG23 VAL 60 12.591 4.220 -4.273 487 H ALA 61 H ALA 61 12.725 1.672 -4.178 488 HA ALA 61 HA ALA 61 15.038 0.782 -2.722 489 HB1 ALA 61 HB1 ALA 61 13.514 3.124 -1.524 490 HB2 ALA 61 HB2 ALA 61 15.156 3.180 -2.160 491 HB3 ALA 61 HB3 ALA 61 14.803 2.208 -0.733 492 H ILE 62 H ILE 62 14.571 -0.605 -1.050 493 HA ILE 62 HA ILE 62 11.943 -1.040 0.061 494 HB ILE 62 HB ILE 62 11.581 -2.220 -2.067 495 HG12 ILE 62 HG12 ILE 62 12.018 -4.179 0.245 496 HG13 ILE 62 HG13 ILE 62 10.552 -3.268 -0.090 497 HG21 ILE 62 HG21 ILE 62 13.922 -2.607 -2.716 498 HG22 ILE 62 HG22 ILE 62 12.987 -4.098 -2.828 499 HG23 ILE 62 HG23 ILE 62 14.084 -3.848 -1.468 500 HD11 ILE 62 HD11 ILE 62 10.306 -5.574 -0.712 501 HD12 ILE 62 HD12 ILE 62 11.708 -5.479 -1.776 502 HD13 ILE 62 HD13 ILE 62 10.248 -4.557 -2.151 503 H ARG 63 H ARG 63 12.023 -2.518 1.894 504 HA ARG 63 HA ARG 63 14.462 -4.004 2.477 505 HB2 ARG 63 HB2 ARG 63 14.914 -1.706 3.345 506 HB3 ARG 63 HB3 ARG 63 13.504 -1.830 4.389 507 HG2 ARG 63 HG2 ARG 63 14.577 -3.657 5.644 508 HG3 ARG 63 HG3 ARG 63 15.972 -3.601 4.557 509 HD2 ARG 63 HD2 ARG 63 16.379 -1.245 5.253 510 HD3 ARG 63 HD3 ARG 63 15.039 -1.369 6.396 511 HE ARG 63 HE ARG 63 16.441 -3.285 7.381 512 HH11 ARG 63 HH11 ARG 63 17.891 -0.544 5.851 513 HH12 ARG 63 HH12 ARG 63 19.250 -0.532 6.914 514 HH21 ARG 63 HH21 ARG 63 18.179 -3.247 8.734 515 HH22 ARG 63 HH22 ARG 63 19.415 -2.054 8.535 516 H ALA 64 H ALA 64 13.432 -5.905 2.643 517 HA ALA 64 HA ALA 64 12.009 -7.576 3.136 518 HB1 ALA 64 HB1 ALA 64 11.714 -8.050 5.514 519 HB2 ALA 64 HB2 ALA 64 12.147 -6.387 5.915 520 HB3 ALA 64 HB3 ALA 64 13.348 -7.457 5.192 521 H TYR 65 H TYR 65 10.452 -5.460 5.540 522 HA TYR 65 HA TYR 65 8.082 -5.041 3.858 523 HB2 TYR 65 HB2 TYR 65 6.516 -5.890 5.524 524 HB3 TYR 65 HB3 TYR 65 7.643 -7.163 5.101 525 HD1 TYR 65 HD2 TYR 65 9.503 -7.760 6.766 526 HD2 TYR 65 HD1 TYR 65 6.281 -5.150 7.809 527 HE1 TYR 65 HE2 TYR 65 9.989 -8.101 9.154 528 HE2 TYR 65 HE1 TYR 65 6.766 -5.494 10.188 529 HH TYR 65 HH TYR 65 9.608 -6.821 11.326 530 H SER 66 H SER 66 10.350 -3.789 5.945 531 HA SER 66 HA SER 66 8.830 -1.969 7.546 532 HB2 SER 66 HB2 SER 66 11.785 -1.969 6.806 533 HB3 SER 66 HB3 SER 66 11.058 -0.849 7.960 534 HG SER 66 HG SER 66 11.104 -2.357 9.398 535 H PHE 67 H PHE 67 9.761 -1.879 4.231 536 HA PHE 67 HA PHE 67 8.156 0.269 3.585 537 HB2 PHE 67 HB2 PHE 67 9.703 2.069 2.872 538 HB3 PHE 67 HB3 PHE 67 9.747 1.814 4.605 539 HD1 PHE 67 HD1 PHE 67 11.673 1.404 1.448 540 HD2 PHE 67 HD2 PHE 67 11.789 1.123 5.718 541 HE1 PHE 67 HE1 PHE 67 14.122 1.289 1.381 542 HE2 PHE 67 HE2 PHE 67 14.243 1.008 5.640 543 HZ PHE 67 HZ PHE 67 15.411 1.092 3.470 544 H ILE 68 H ILE 68 7.832 0.503 1.417 545 HA ILE 68 HA ILE 68 9.830 -0.292 -0.528 546 HB ILE 68 HB ILE 68 8.610 -2.414 -0.193 547 HG12 ILE 68 HG12 ILE 68 7.995 -1.123 -2.898 548 HG13 ILE 68 HG13 ILE 68 9.489 -1.949 -2.454 549 HG21 ILE 68 HG21 ILE 68 6.466 -1.551 0.609 550 HG22 ILE 68 HG22 ILE 68 6.219 -2.669 -0.732 551 HG23 ILE 68 HG23 ILE 68 6.090 -0.929 -1.000 552 HD11 ILE 68 HD11 ILE 68 6.772 -3.220 -2.731 553 HD12 ILE 68 HD12 ILE 68 8.252 -4.052 -2.245 554 HD13 ILE 68 HD13 ILE 68 8.124 -3.346 -3.854 555 H ARG 69 H ARG 69 9.659 0.912 -2.429 556 HA ARG 69 HA ARG 69 7.292 2.535 -2.972 557 HB2 ARG 69 HB2 ARG 69 8.619 4.677 -3.133 558 HB3 ARG 69 HB3 ARG 69 8.415 4.075 -1.495 559 HG2 ARG 69 HG2 ARG 69 10.939 3.302 -2.934 560 HG3 ARG 69 HG3 ARG 69 10.780 4.981 -2.427 561 HD2 ARG 69 HD2 ARG 69 10.450 2.629 -0.532 562 HD3 ARG 69 HD3 ARG 69 11.990 3.451 -0.797 563 HE ARG 69 HE ARG 69 9.755 4.378 0.763 564 HH11 ARG 69 HH11 ARG 69 12.506 5.520 -1.024 565 HH12 ARG 69 HH12 ARG 69 12.678 6.931 -0.048 566 HH21 ARG 69 HH21 ARG 69 10.012 6.206 1.979 567 HH22 ARG 69 HH22 ARG 69 11.284 7.320 1.618 568 H PHE 70 H PHE 70 7.017 3.063 -5.078 569 HA PHE 70 HA PHE 70 8.898 1.922 -7.063 570 HB2 PHE 70 HB2 PHE 70 5.869 2.232 -7.127 571 HB3 PHE 70 HB3 PHE 70 6.810 1.793 -8.547 572 HD1 PHE 70 HD2 PHE 70 5.948 0.665 -5.082 573 HD2 PHE 70 HD1 PHE 70 7.456 -0.471 -8.924 574 HE1 PHE 70 HE2 PHE 70 5.868 -1.700 -4.422 575 HE2 PHE 70 HE1 PHE 70 7.357 -2.830 -8.250 576 HZ PHE 70 HZ PHE 70 6.560 -3.450 -6.009 577 H HIS 71 H HIS 71 8.539 2.885 -9.320 578 HA HIS 71 HA HIS 71 8.171 5.792 -9.434 579 HB2 HIS 71 HB2 HIS 71 10.493 5.711 -8.797 580 HB3 HIS 71 HB3 HIS 71 10.827 4.375 -9.888 581 HD1 HIS 71 HD1 HIS 71 9.556 7.961 -10.346 582 HD2 HIS 71 HD2 HIS 71 12.245 5.269 -12.013 583 HE1 HIS 71 HE1 HIS 71 10.617 9.177 -12.256 584 HE2 HIS 71 HE2 HIS 71 12.070 7.463 -13.370 585 H TRP 72 H TRP 72 7.171 6.297 -11.324 586 HA TRP 72 HA TRP 72 6.613 4.552 -13.450 587 HB2 TRP 72 HB2 TRP 72 5.957 6.656 -14.720 588 HB3 TRP 72 HB3 TRP 72 5.207 6.491 -13.137 589 HD1 TRP 72 HD1 TRP 72 7.711 8.721 -15.039 590 HE1 TRP 72 HE1 TRP 72 8.169 10.829 -13.645 591 HE3 TRP 72 HE3 TRP 72 5.260 7.416 -10.734 592 HZ2 TRP 72 HZ2 TRP 72 7.584 11.820 -11.071 593 HZ3 TRP 72 HZ3 TRP 72 5.255 9.004 -8.853 594 HH2 TRP 72 HH2 TRP 72 6.394 11.164 -9.016 595 H LEU 73 H LEU 73 7.734 3.927 -15.229 596 HA LEU 73 HA LEU 73 10.514 4.546 -15.502 597 HB2 LEU 73 HB2 LEU 73 8.562 2.739 -16.867 598 HB3 LEU 73 HB3 LEU 73 9.956 3.193 -17.828 599 HG LEU 73 HG LEU 73 10.295 1.027 -16.704 600 HD11 LEU 73 HD11 LEU 73 12.136 3.170 -15.598 601 HD12 LEU 73 HD12 LEU 73 12.267 2.393 -17.178 602 HD13 LEU 73 HD13 LEU 73 12.492 1.442 -15.713 603 HD21 LEU 73 HD21 LEU 73 10.055 2.550 -14.091 604 HD22 LEU 73 HD22 LEU 73 10.512 0.852 -14.275 605 HD23 LEU 73 HD23 LEU 73 8.896 1.381 -14.730 606 H ASP 74 H ASP 74 7.713 5.281 -17.597 607 HA ASP 74 HA ASP 74 9.288 7.267 -19.099 608 HB2 ASP 74 HB2 ASP 74 7.294 7.281 -20.664 609 HB3 ASP 74 HB3 ASP 74 8.129 5.737 -20.547 610 H ASP 75 H ASP 75 5.858 7.307 -18.051 611 HA ASP 75 HA ASP 75 5.906 9.339 -16.177 612 HB2 ASP 75 HB2 ASP 75 6.566 10.882 -18.007 613 HB3 ASP 75 HB3 ASP 75 5.181 10.361 -18.969 614 H GLU 76 H GLU 76 3.825 9.527 -15.261 615 HA GLU 76 HA GLU 76 1.835 7.599 -16.338 616 HB2 GLU 76 HB2 GLU 76 2.996 7.231 -14.068 617 HB3 GLU 76 HB3 GLU 76 2.064 8.596 -13.464 618 HG2 GLU 76 HG2 GLU 76 0.973 6.518 -12.851 619 HG3 GLU 76 HG3 GLU 76 -0.027 7.399 -14.009 620 H ASN 77 H ASN 77 2.115 10.547 -16.977 621 HA ASN 77 HA ASN 77 0.834 12.286 -17.541 622 HB2 ASN 77 HB2 ASN 77 -1.003 10.719 -18.087 623 HB3 ASN 77 HB3 ASN 77 -1.550 10.797 -16.418 624 HD21 ASN 77 HD21 ASN 77 -3.578 11.582 -16.942 625 HD22 ASN 77 HD22 ASN 77 -3.843 13.174 -17.559 626 H GLU 78 H GLU 78 0.276 11.166 -14.256 627 HA GLU 78 HA GLU 78 0.718 13.937 -13.348 628 HB2 GLU 78 HB2 GLU 78 -1.679 13.011 -13.039 629 HB3 GLU 78 HB3 GLU 78 -0.994 11.919 -11.833 630 HG2 GLU 78 HG2 GLU 78 -0.151 13.897 -10.586 631 HG3 GLU 78 HG3 GLU 78 -0.927 14.941 -11.780 632 H ARG 79 H ARG 79 1.995 14.150 -11.456 633 HA ARG 79 HA ARG 79 3.850 11.889 -11.001 634 HB2 ARG 79 HB2 ARG 79 4.530 14.863 -10.845 635 HB3 ARG 79 HB3 ARG 79 5.651 13.517 -10.693 636 HG2 ARG 79 HG2 ARG 79 6.040 14.253 -12.887 637 HG3 ARG 79 HG3 ARG 79 4.932 12.902 -13.128 638 HD2 ARG 79 HD2 ARG 79 3.058 14.716 -13.098 639 HD3 ARG 79 HD3 ARG 79 4.372 15.874 -13.330 640 HE ARG 79 HE ARG 79 4.605 13.874 -15.272 641 HH11 ARG 79 HH11 ARG 79 2.432 16.462 -14.503 642 HH12 ARG 79 HH12 ARG 79 1.844 16.566 -16.123 643 HH21 ARG 79 HH21 ARG 79 3.804 14.025 -17.306 644 HH22 ARG 79 HH22 ARG 79 2.622 15.227 -17.681 645 H ASP 80 H ASP 80 3.389 11.021 -9.110 646 HA ASP 80 HA ASP 80 2.905 12.665 -6.699 647 HB2 ASP 80 HB2 ASP 80 1.041 11.034 -6.115 648 HB3 ASP 80 HB3 ASP 80 0.699 12.125 -7.453 649 H TYR 81 H TYR 81 2.427 10.591 -4.883 650 HA TYR 81 HA TYR 81 4.897 8.961 -4.905 651 HB2 TYR 81 HB2 TYR 81 5.478 11.079 -3.782 652 HB3 TYR 81 HB3 TYR 81 4.116 10.908 -2.687 653 HD1 TYR 81 HD1 TYR 81 7.265 9.094 -3.712 654 HD2 TYR 81 HD2 TYR 81 4.527 9.969 -0.541 655 HE1 TYR 81 HE1 TYR 81 8.749 7.965 -2.113 656 HE2 TYR 81 HE2 TYR 81 6.012 8.833 1.052 657 HH TYR 81 HH TYR 81 7.783 7.182 1.078 658 H PHE 82 H PHE 82 4.415 6.932 -4.372 659 HA PHE 82 HA PHE 82 2.447 6.340 -2.234 660 HB2 PHE 82 HB2 PHE 82 2.918 4.834 -4.838 661 HB3 PHE 82 HB3 PHE 82 2.142 4.074 -3.457 662 HD1 PHE 82 HD2 PHE 82 0.021 5.225 -2.503 663 HD2 PHE 82 HD1 PHE 82 1.587 6.048 -6.399 664 HE1 PHE 82 HE2 PHE 82 -2.173 6.077 -3.211 665 HE2 PHE 82 HE1 PHE 82 -0.613 6.896 -7.095 666 HZ PHE 82 HZ PHE 82 -2.493 6.910 -5.505 667 H GLU 83 H GLU 83 3.713 5.858 -0.507 668 HA GLU 83 HA GLU 83 5.656 3.627 -0.807 669 HB2 GLU 83 HB2 GLU 83 6.808 5.592 0.067 670 HB3 GLU 83 HB3 GLU 83 5.569 5.840 1.292 671 HG2 GLU 83 HG2 GLU 83 6.238 3.715 2.386 672 HG3 GLU 83 HG3 GLU 83 7.486 3.479 1.160 673 H ILE 84 H ILE 84 5.036 1.759 0.035 674 HA ILE 84 HA ILE 84 2.905 1.696 2.105 675 HB ILE 84 HB ILE 84 3.682 -0.571 0.205 676 HG12 ILE 84 HG12 ILE 84 1.188 -0.179 -0.582 677 HG13 ILE 84 HG13 ILE 84 1.372 1.420 0.113 678 HG21 ILE 84 HG21 ILE 84 2.944 -1.387 2.404 679 HG22 ILE 84 HG22 ILE 84 1.739 -1.756 1.176 680 HG23 ILE 84 HG23 ILE 84 1.469 -0.420 2.294 681 HD11 ILE 84 HD11 ILE 84 3.016 0.237 -2.123 682 HD12 ILE 84 HD12 ILE 84 3.204 1.864 -1.453 683 HD13 ILE 84 HD13 ILE 84 1.711 1.414 -2.281 684 H LYS 85 H LYS 85 3.622 1.199 4.081 685 HA LYS 85 HA LYS 85 5.803 -0.754 4.431 686 HB2 LYS 85 HB2 LYS 85 6.612 0.762 6.361 687 HB3 LYS 85 HB3 LYS 85 6.970 1.275 4.717 688 HG2 LYS 85 HG2 LYS 85 4.890 2.758 4.871 689 HG3 LYS 85 HG3 LYS 85 4.893 2.411 6.605 690 HD2 LYS 85 HD2 LYS 85 7.075 3.447 6.868 691 HD3 LYS 85 HD3 LYS 85 7.274 3.597 5.118 692 HE2 LYS 85 HE2 LYS 85 5.327 5.173 5.080 693 HE3 LYS 85 HE3 LYS 85 5.252 5.072 6.841 694 HZ1 LYS 85 HZ1 LYS 85 6.462 7.024 6.060 695 HZ2 LYS 85 HZ2 LYS 85 7.590 6.033 5.281 696 HZ3 LYS 85 HZ3 LYS 85 7.458 6.003 6.969 697 H MET 86 H MET 86 5.801 -1.800 6.462 698 HA MET 86 HA MET 86 3.431 -1.574 8.179 699 HB2 MET 86 HB2 MET 86 3.502 -4.262 8.148 700 HB3 MET 86 HB3 MET 86 2.546 -3.377 6.972 701 HG2 MET 86 HG2 MET 86 4.216 -3.683 5.272 702 HG3 MET 86 HG3 MET 86 5.363 -4.336 6.439 703 HE1 MET 86 HE1 MET 86 1.534 -6.616 5.195 704 HE2 MET 86 HE2 MET 86 1.905 -4.992 4.614 705 HE3 MET 86 HE3 MET 86 1.491 -5.252 6.309 706 H SER 87 H SER 87 3.835 -2.126 10.288 707 HA SER 87 HA SER 87 6.624 -2.851 11.041 708 HB2 SER 87 HB2 SER 87 6.282 -0.424 11.377 709 HB3 SER 87 HB3 SER 87 4.854 -0.740 12.361 710 HG SER 87 HG SER 87 6.733 -0.357 13.621 711 H TYR 88 H TYR 88 6.792 -4.414 12.591 712 HA TYR 88 HA TYR 88 4.309 -5.662 13.551 713 HB2 TYR 88 HB2 TYR 88 5.866 -7.208 12.505 714 HB3 TYR 88 HB3 TYR 88 7.189 -6.662 13.534 715 HD1 TYR 88 HD1 TYR 88 3.707 -8.083 13.908 716 HD2 TYR 88 HD2 TYR 88 7.724 -8.057 15.380 717 HE1 TYR 88 HE1 TYR 88 3.113 -9.775 15.583 718 HE2 TYR 88 HE2 TYR 88 7.123 -9.755 17.049 719 HH TYR 88 HH TYR 88 4.181 -11.466 16.976 720 H ASN 89 H ASN 89 3.566 -4.985 15.447 721 HA ASN 89 HA ASN 89 5.137 -3.750 17.511 722 HB2 ASN 89 HB2 ASN 89 2.263 -4.775 17.573 723 HB3 ASN 89 HB3 ASN 89 3.007 -3.757 18.804 724 HD21 ASN 89 HD21 ASN 89 1.639 -3.849 15.633 725 HD22 ASN 89 HD22 ASN 89 1.564 -2.153 15.404 726 H GLU 90 H GLU 90 6.663 -5.123 18.332 727 HA GLU 90 HA GLU 90 6.317 -7.901 18.867 728 HB2 GLU 90 HB2 GLU 90 8.422 -5.968 19.926 729 HB3 GLU 90 HB3 GLU 90 8.546 -7.728 19.956 730 HG2 GLU 90 HG2 GLU 90 8.599 -7.806 17.519 731 HG3 GLU 90 HG3 GLU 90 8.338 -6.064 17.422 732 H LEU 91 H LEU 91 5.335 -5.156 20.668 733 HA LEU 91 HA LEU 91 5.504 -6.315 23.330 734 HB2 LEU 91 HB2 LEU 91 4.241 -3.730 22.340 735 HB3 LEU 91 HB3 LEU 91 4.378 -4.191 24.029 736 HG LEU 91 HG LEU 91 6.719 -3.621 22.157 737 HD11 LEU 91 HD11 LEU 91 5.502 -1.576 22.742 738 HD12 LEU 91 HD12 LEU 91 7.083 -1.607 23.516 739 HD13 LEU 91 HD13 LEU 91 5.635 -1.961 24.462 740 HD21 LEU 91 HD21 LEU 91 7.326 -5.323 23.818 741 HD22 LEU 91 HD22 LEU 91 6.747 -4.289 25.125 742 HD23 LEU 91 HD23 LEU 91 8.148 -3.802 24.166 743 H THR 92 H THR 92 3.251 -6.534 20.762 744 HA THR 92 HA THR 92 1.186 -7.631 22.544 745 HB THR 92 HB THR 92 0.386 -5.375 22.287 746 HG1 THR 92 HG1 THR 92 -1.427 -6.223 20.505 747 HG21 THR 92 HG21 THR 92 1.599 -4.654 20.273 748 HG22 THR 92 HG22 THR 92 -0.127 -4.333 20.090 749 HG23 THR 92 HG23 THR 92 0.607 -5.713 19.272 750 H GLY 93 H GLY 93 2.078 -7.165 19.102 751 HA2 GLY 93 HA2 GLY 93 2.498 -9.322 17.885 752 HA3 GLY 93 HA3 GLY 93 0.929 -9.841 18.471 753 H ASP 94 H ASP 94 0.484 -6.662 17.807 754 HA ASP 94 HA ASP 94 -0.970 -7.185 15.365 755 HB2 ASP 94 HB2 ASP 94 -0.589 -4.638 17.000 756 HB3 ASP 94 HB3 ASP 94 -1.649 -4.755 15.595 757 H TYR 95 H TYR 95 -0.902 -5.403 13.618 758 HA TYR 95 HA TYR 95 1.864 -4.576 12.908 759 HB2 TYR 95 HB2 TYR 95 -0.309 -5.845 11.222 760 HB3 TYR 95 HB3 TYR 95 0.727 -4.662 10.442 761 HD1 TYR 95 HD1 TYR 95 0.704 -7.998 12.109 762 HD2 TYR 95 HD2 TYR 95 3.008 -5.195 9.843 763 HE1 TYR 95 HE1 TYR 95 2.392 -9.733 11.670 764 HE2 TYR 95 HE2 TYR 95 4.691 -6.925 9.406 765 HH TYR 95 HH TYR 95 5.449 -9.114 10.550 766 H VAL 96 H VAL 96 2.110 -2.394 12.807 767 HA VAL 96 HA VAL 96 -0.101 -0.566 12.260 768 HB VAL 96 HB VAL 96 2.897 0.019 12.545 769 HG11 VAL 96 HG11 VAL 96 2.226 2.408 12.762 770 HG12 VAL 96 HG12 VAL 96 0.549 1.970 12.435 771 HG13 VAL 96 HG13 VAL 96 1.775 1.757 11.183 772 HG21 VAL 96 HG21 VAL 96 2.335 0.900 14.795 773 HG22 VAL 96 HG22 VAL 96 1.935 -0.814 14.663 774 HG23 VAL 96 HG23 VAL 96 0.654 0.399 14.577 775 H LEU 97 H LEU 97 -0.799 -0.724 10.193 776 HA LEU 97 HA LEU 97 1.120 -1.131 7.962 777 HB2 LEU 97 HB2 LEU 97 -0.750 -2.729 8.158 778 HB3 LEU 97 HB3 LEU 97 -1.912 -1.414 8.086 779 HG LEU 97 HG LEU 97 -1.205 -0.912 5.763 780 HD11 LEU 97 HD11 LEU 97 1.125 -1.666 5.872 781 HD12 LEU 97 HD12 LEU 97 0.273 -2.427 4.528 782 HD13 LEU 97 HD13 LEU 97 0.590 -3.344 6.003 783 HD21 LEU 97 HD21 LEU 97 -3.109 -2.409 6.144 784 HD22 LEU 97 HD22 LEU 97 -2.027 -3.805 6.180 785 HD23 LEU 97 HD23 LEU 97 -2.221 -2.874 4.691 786 H GLU 98 H GLU 98 1.790 0.727 7.088 787 HA GLU 98 HA GLU 98 0.098 3.157 7.297 788 HB2 GLU 98 HB2 GLU 98 2.107 2.986 8.871 789 HB3 GLU 98 HB3 GLU 98 3.146 3.075 7.453 790 HG2 GLU 98 HG2 GLU 98 2.307 5.308 6.929 791 HG3 GLU 98 HG3 GLU 98 1.130 5.200 8.240 792 H ILE 99 H ILE 99 -0.670 3.435 5.270 793 HA ILE 99 HA ILE 99 1.163 3.337 2.953 794 HB ILE 99 HB ILE 99 -1.888 3.393 3.105 795 HG12 ILE 99 HG12 ILE 99 -1.650 1.267 1.677 796 HG13 ILE 99 HG13 ILE 99 0.081 1.341 1.971 797 HG21 ILE 99 HG21 ILE 99 -1.935 3.411 0.603 798 HG22 ILE 99 HG22 ILE 99 -0.191 3.690 0.589 799 HG23 ILE 99 HG23 ILE 99 -1.272 4.905 1.274 800 HD11 ILE 99 HD11 ILE 99 -1.043 -0.275 3.385 801 HD12 ILE 99 HD12 ILE 99 -2.049 1.001 4.073 802 HD13 ILE 99 HD13 ILE 99 -0.302 1.007 4.341 803 H THR 100 H THR 100 2.091 5.184 2.396 804 HA THR 100 HA THR 100 0.965 7.798 3.092 805 HB THR 100 HB THR 100 3.627 7.094 1.763 806 HG1 THR 100 HG1 THR 100 2.802 7.187 4.398 807 HG21 THR 100 HG21 THR 100 4.281 9.417 2.301 808 HG22 THR 100 HG22 THR 100 2.661 9.734 2.928 809 HG23 THR 100 HG23 THR 100 2.892 9.393 1.212 810 H ASP 101 H ASP 101 -0.557 8.468 1.713 811 HA ASP 101 HA ASP 101 -0.123 8.344 -1.212 812 HB2 ASP 101 HB2 ASP 101 -2.530 7.832 -1.543 813 HB3 ASP 101 HB3 ASP 101 -1.722 6.560 -0.638 814 H PHE 102 H PHE 102 -1.916 9.843 -2.280 815 HA PHE 102 HA PHE 102 -1.905 12.459 -0.853 816 HB2 PHE 102 HB2 PHE 102 -1.557 13.577 -2.997 817 HB3 PHE 102 HB3 PHE 102 -0.320 12.339 -2.810 818 HD1 PHE 102 HD1 PHE 102 -0.760 10.039 -3.989 819 HD2 PHE 102 HD2 PHE 102 -2.860 13.627 -4.982 820 HE1 PHE 102 HE1 PHE 102 -1.458 9.051 -6.131 821 HE2 PHE 102 HE2 PHE 102 -3.538 12.634 -7.126 822 HZ PHE 102 HZ PHE 102 -2.847 10.343 -7.696 823 H SER 103 H SER 103 -3.878 13.455 -0.588 824 HA SER 103 HA SER 103 -6.116 12.773 -2.416 825 HB2 SER 103 HB2 SER 103 -7.642 13.297 -0.519 826 HB3 SER 103 HB3 SER 103 -6.554 11.970 -0.130 827 HG SER 103 HG SER 103 -5.809 14.587 0.608 828 H GLU 104 H GLU 104 -6.976 14.459 -3.559 829 HA GLU 104 HA GLU 104 -6.106 17.165 -3.300 830 HB2 GLU 104 HB2 GLU 104 -7.260 15.789 -5.293 831 HB3 GLU 104 HB3 GLU 104 -8.748 16.393 -4.586 832 HG2 GLU 104 HG2 GLU 104 -6.468 18.153 -5.533 833 HG3 GLU 104 HG3 GLU 104 -7.841 17.680 -6.529 834 H ALA 105 H ALA 105 -7.351 19.005 -2.440 835 HA ALA 105 HA ALA 105 -8.541 18.866 0.013 836 HB1 ALA 105 HB1 ALA 105 -9.214 20.907 -2.126 837 HB2 ALA 105 HB2 ALA 105 -7.815 20.958 -1.054 838 HB3 ALA 105 HB3 ALA 105 -9.442 21.118 -0.385 839 H ASP 106 H ASP 106 -10.411 18.900 -3.078 840 HA ASP 106 HA ASP 106 -12.986 18.542 -1.840 841 HB2 ASP 106 HB2 ASP 106 -12.058 18.251 -4.716 842 HB3 ASP 106 HB3 ASP 106 -13.726 17.939 -4.241 843 H GLU 107 H GLU 107 -10.499 16.259 -2.379 844 HA GLU 107 HA GLU 107 -12.348 13.931 -2.319 845 HB2 GLU 107 HB2 GLU 107 -9.330 13.986 -2.763 846 HB3 GLU 107 HB3 GLU 107 -10.374 12.570 -2.888 847 HG2 GLU 107 HG2 GLU 107 -11.531 13.650 -4.808 848 HG3 GLU 107 HG3 GLU 107 -10.390 14.996 -4.707 849 H ALA 108 H ALA 108 -10.265 15.765 -0.258 850 HA ALA 108 HA ALA 108 -8.875 13.792 1.167 851 HB1 ALA 108 HB1 ALA 108 -8.285 15.544 2.758 852 HB2 ALA 108 HB2 ALA 108 -9.587 16.573 2.154 853 HB3 ALA 108 HB3 ALA 108 -8.221 16.177 1.110 854 H ASP 109 H ASP 109 -11.967 15.399 2.101 855 HA ASP 109 HA ASP 109 -12.240 14.199 4.652 856 HB2 ASP 109 HB2 ASP 109 -14.456 15.142 2.789 857 HB3 ASP 109 HB3 ASP 109 -14.641 14.800 4.507 858 H ASP 110 H ASP 110 -13.037 12.975 1.433 859 HA ASP 110 HA ASP 110 -14.547 10.664 2.214 860 HB2 ASP 110 HB2 ASP 110 -12.875 11.087 -0.309 861 HB3 ASP 110 HB3 ASP 110 -14.096 9.834 -0.081 862 H LEU 111 H LEU 111 -11.105 11.226 1.557 863 HA LEU 111 HA LEU 111 -10.148 8.582 1.935 864 HB2 LEU 111 HB2 LEU 111 -8.898 11.324 1.881 865 HB3 LEU 111 HB3 LEU 111 -7.927 10.008 2.497 866 HG LEU 111 HG LEU 111 -7.426 10.421 0.135 867 HD11 LEU 111 HD11 LEU 111 -7.684 8.151 -0.750 868 HD12 LEU 111 HD12 LEU 111 -8.857 7.781 0.519 869 HD13 LEU 111 HD13 LEU 111 -7.181 8.142 0.940 870 HD21 LEU 111 HD21 LEU 111 -10.335 9.770 -0.449 871 HD22 LEU 111 HD22 LEU 111 -9.069 10.039 -1.652 872 HD23 LEU 111 HD23 LEU 111 -9.570 11.355 -0.594 873 H LYS 112 H LYS 112 -10.571 11.261 4.234 874 HA LYS 112 HA LYS 112 -9.482 9.872 6.513 875 HB2 LYS 112 HB2 LYS 112 -11.423 12.218 6.627 876 HB3 LYS 112 HB3 LYS 112 -10.234 11.741 7.837 877 HG2 LYS 112 HG2 LYS 112 -9.668 12.932 5.109 878 HG3 LYS 112 HG3 LYS 112 -9.513 13.755 6.658 879 HD2 LYS 112 HD2 LYS 112 -7.608 12.409 7.273 880 HD3 LYS 112 HD3 LYS 112 -7.871 11.300 5.921 881 HE2 LYS 112 HE2 LYS 112 -5.985 12.878 5.521 882 HE3 LYS 112 HE3 LYS 112 -7.260 13.027 4.316 883 HZ1 LYS 112 HZ1 LYS 112 -6.491 15.180 4.992 884 HZ2 LYS 112 HZ2 LYS 112 -6.800 14.845 6.622 885 HZ3 LYS 112 HZ3 LYS 112 -8.081 14.977 5.530 886 H GLU 113 H GLU 113 -12.724 10.289 5.151 887 HA GLU 113 HA GLU 113 -14.206 8.890 7.140 888 HB2 GLU 113 HB2 GLU 113 -15.309 10.392 5.562 889 HB3 GLU 113 HB3 GLU 113 -14.788 9.416 4.200 890 HG2 GLU 113 HG2 GLU 113 -17.181 9.126 4.696 891 HG3 GLU 113 HG3 GLU 113 -16.281 7.619 4.835 892 H LEU 114 H LEU 114 -12.308 7.803 4.364 893 HA LEU 114 HA LEU 114 -13.015 5.064 4.353 894 HB2 LEU 114 HB2 LEU 114 -11.563 6.079 2.612 895 HB3 LEU 114 HB3 LEU 114 -10.299 6.327 3.802 896 HG LEU 114 HG LEU 114 -10.116 3.825 4.076 897 HD11 LEU 114 HD11 LEU 114 -12.350 3.156 3.357 898 HD12 LEU 114 HD12 LEU 114 -11.121 2.338 2.397 899 HD13 LEU 114 HD13 LEU 114 -12.013 3.698 1.709 900 HD21 LEU 114 HD21 LEU 114 -8.538 5.021 2.638 901 HD22 LEU 114 HD22 LEU 114 -9.630 4.860 1.261 902 HD23 LEU 114 HD23 LEU 114 -8.891 3.425 1.977 903 H TRP 115 H TRP 115 -10.750 6.929 6.366 904 HA TRP 115 HA TRP 115 -9.696 4.734 7.868 905 HB2 TRP 115 HB2 TRP 115 -8.414 6.783 7.814 906 HB3 TRP 115 HB3 TRP 115 -9.755 7.719 8.453 907 HD1 TRP 115 HD1 TRP 115 -9.004 8.519 10.791 908 HE1 TRP 115 HE1 TRP 115 -7.975 7.441 12.877 909 HE3 TRP 115 HE3 TRP 115 -8.167 3.784 8.973 910 HZ2 TRP 115 HZ2 TRP 115 -6.953 4.951 13.668 911 HZ3 TRP 115 HZ3 TRP 115 -7.162 2.115 10.478 912 HH2 TRP 115 HH2 TRP 115 -6.569 2.693 12.780 913 H ASP 116 H ASP 116 -12.426 6.999 8.487 914 HA ASP 116 HA ASP 116 -13.185 5.998 11.028 915 HB2 ASP 116 HB2 ASP 116 -14.907 7.247 8.842 916 HB3 ASP 116 HB3 ASP 116 -15.459 6.954 10.488 917 H SER 117 H SER 117 -13.952 4.945 7.757 918 HA SER 117 HA SER 117 -15.817 2.893 8.386 919 HB2 SER 117 HB2 SER 117 -15.676 3.812 6.117 920 HB3 SER 117 HB3 SER 117 -14.026 3.229 5.946 921 HG SER 117 HG SER 117 -16.149 1.972 5.232 922 H GLN 118 H GLN 118 -12.261 2.889 7.972 923 HA GLN 118 HA GLN 118 -12.038 0.012 8.020 924 HB2 GLN 118 HB2 GLN 118 -9.845 2.117 8.257 925 HB3 GLN 118 HB3 GLN 118 -9.567 0.385 8.094 926 HG2 GLN 118 HG2 GLN 118 -10.634 2.317 6.037 927 HG3 GLN 118 HG3 GLN 118 -9.216 1.287 5.942 928 HE21 GLN 118 HE21 GLN 118 -12.643 1.484 5.512 929 HE22 GLN 118 HE22 GLN 118 -12.857 -0.068 4.787 930 H VAL 119 H VAL 119 -11.415 2.586 10.447 931 HA VAL 119 HA VAL 119 -10.033 0.940 12.283 932 HB VAL 119 HB VAL 119 -9.887 3.421 12.331 933 HG11 VAL 119 HG11 VAL 119 -12.243 4.039 11.987 934 HG12 VAL 119 HG12 VAL 119 -11.607 4.800 13.448 935 HG13 VAL 119 HG13 VAL 119 -12.662 3.390 13.574 936 HG21 VAL 119 HG21 VAL 119 -10.737 2.204 14.988 937 HG22 VAL 119 HG22 VAL 119 -9.756 3.660 14.784 938 HG23 VAL 119 HG23 VAL 119 -9.127 2.091 14.268 939 H SER 120 H SER 120 -13.489 1.770 12.036 940 HA SER 120 HA SER 120 -14.355 0.305 14.336 941 HB2 SER 120 HB2 SER 120 -15.775 2.056 13.330 942 HB3 SER 120 HB3 SER 120 -15.919 1.119 11.846 943 HG SER 120 HG SER 120 -17.218 0.830 14.255 944 H LYS 121 H LYS 121 -14.138 -0.454 10.878 945 HA LYS 121 HA LYS 121 -15.462 -2.951 10.890 946 HB2 LYS 121 HB2 LYS 121 -15.067 -1.444 8.926 947 HB3 LYS 121 HB3 LYS 121 -13.381 -1.942 8.919 948 HG2 LYS 121 HG2 LYS 121 -14.055 -4.246 8.395 949 HG3 LYS 121 HG3 LYS 121 -15.756 -3.780 8.466 950 HD2 LYS 121 HD2 LYS 121 -13.767 -2.556 6.503 951 HD3 LYS 121 HD3 LYS 121 -14.747 -3.971 6.129 952 HE2 LYS 121 HE2 LYS 121 -15.813 -2.024 5.173 953 HE3 LYS 121 HE3 LYS 121 -16.809 -2.594 6.506 954 HZ1 LYS 121 HZ1 LYS 121 -14.914 -0.307 6.646 955 HZ2 LYS 121 HZ2 LYS 121 -15.961 -0.812 7.875 956 HZ3 LYS 121 HZ3 LYS 121 -16.582 -0.178 6.440 957 H LEU 122 H LEU 122 -12.024 -2.153 11.279 958 HA LEU 122 HA LEU 122 -10.943 -4.780 11.171 959 HB2 LEU 122 HB2 LEU 122 -9.887 -2.227 12.433 960 HB3 LEU 122 HB3 LEU 122 -8.952 -3.714 12.348 961 HG LEU 122 HG LEU 122 -9.984 -2.197 9.911 962 HD11 LEU 122 HD11 LEU 122 -8.302 -0.856 11.077 963 HD12 LEU 122 HD12 LEU 122 -7.680 -1.458 9.542 964 HD13 LEU 122 HD13 LEU 122 -7.173 -2.216 11.054 965 HD21 LEU 122 HD21 LEU 122 -9.717 -4.605 9.497 966 HD22 LEU 122 HD22 LEU 122 -8.052 -4.539 10.087 967 HD23 LEU 122 HD23 LEU 122 -8.503 -3.674 8.615 968 H ARG 123 H ARG 123 -12.334 -2.850 13.774 969 HA ARG 123 HA ARG 123 -11.728 -4.757 15.869 970 HB2 ARG 123 HB2 ARG 123 -13.718 -2.445 15.861 971 HB3 ARG 123 HB3 ARG 123 -13.174 -3.338 17.284 972 HG2 ARG 123 HG2 ARG 123 -10.864 -2.517 16.902 973 HG3 ARG 123 HG3 ARG 123 -11.428 -1.613 15.495 974 HD2 ARG 123 HD2 ARG 123 -11.243 -0.088 17.357 975 HD3 ARG 123 HD3 ARG 123 -12.955 -0.323 17.005 976 HE ARG 123 HE ARG 123 -13.112 -1.768 18.938 977 HH11 ARG 123 HH11 ARG 123 -10.220 0.132 18.798 978 HH12 ARG 123 HH12 ARG 123 -9.902 -0.038 20.484 979 HH21 ARG 123 HH21 ARG 123 -12.674 -1.972 21.080 980 HH22 ARG 123 HH22 ARG 123 -11.276 -1.218 21.765 981 H ARG 124 H ARG 124 -14.483 -4.081 13.713 982 HA ARG 124 HA ARG 124 -16.417 -5.756 14.932 983 HB2 ARG 124 HB2 ARG 124 -16.140 -4.918 12.011 984 HB3 ARG 124 HB3 ARG 124 -17.543 -5.761 12.665 985 HG2 ARG 124 HG2 ARG 124 -17.833 -3.794 14.262 986 HG3 ARG 124 HG3 ARG 124 -16.594 -2.958 13.319 987 HD2 ARG 124 HD2 ARG 124 -18.824 -2.285 12.582 988 HD3 ARG 124 HD3 ARG 124 -17.999 -3.164 11.293 989 HE ARG 124 HE ARG 124 -19.347 -5.165 12.149 990 HH11 ARG 124 HH11 ARG 124 -20.589 -1.939 12.352 991 HH12 ARG 124 HH12 ARG 124 -22.232 -2.462 12.236 992 HH21 ARG 124 HH21 ARG 124 -21.454 -5.799 12.019 993 HH22 ARG 124 HH22 ARG 124 -22.716 -4.615 12.047 994 H THR 125 H THR 125 -13.973 -6.436 12.427 995 HA THR 125 HA THR 125 -14.706 -9.234 12.197 996 HB THR 125 HB THR 125 -13.813 -8.189 10.196 997 HG1 THR 125 HG1 THR 125 -13.025 -10.087 9.820 998 HG21 THR 125 HG21 THR 125 -12.316 -6.480 11.162 999 HG22 THR 125 HG22 THR 125 -11.468 -7.471 9.975 1000 HG23 THR 125 HG23 THR 125 -11.207 -7.743 11.701 1001 H CYS 126 H CYS 126 -12.258 -7.346 13.917 1002 HA CYS 126 HA CYS 126 -10.640 -7.787 15.433 1003 HB2 CYS 126 HB2 CYS 126 -12.490 -8.897 16.676 1004 HB3 CYS 126 HB3 CYS 126 -12.106 -10.422 15.886 1005 HG CYS 126 HG CYS 126 -11.186 -9.728 18.735 1006 H GLY 127 H GLY 127 -10.506 -8.894 12.548 1007 HA2 GLY 127 HA2 GLY 127 -7.883 -9.979 12.583 1008 HA3 GLY 127 HA3 GLY 127 -9.057 -11.268 12.356 1009 H PHE 128 H PHE 128 -10.166 -11.441 10.357 1010 HA PHE 128 HA PHE 128 -9.262 -9.665 8.147 1011 HB2 PHE 128 HB2 PHE 128 -9.303 -12.717 8.048 1012 HB3 PHE 128 HB3 PHE 128 -8.881 -11.655 6.708 1013 HD1 PHE 128 HD1 PHE 128 -6.838 -10.070 7.054 1014 HD2 PHE 128 HD2 PHE 128 -7.587 -13.495 9.504 1015 HE1 PHE 128 HE1 PHE 128 -4.483 -10.077 7.766 1016 HE2 PHE 128 HE2 PHE 128 -5.231 -13.495 10.212 1017 HZ PHE 128 HZ PHE 128 -3.681 -11.786 9.349 1018 H LEU 129 H LEU 129 -10.643 -9.561 6.311 1019 HA LEU 129 HA LEU 129 -13.507 -9.928 6.928 1020 HB2 LEU 129 HB2 LEU 129 -12.052 -8.268 4.834 1021 HB3 LEU 129 HB3 LEU 129 -13.799 -8.285 5.042 1022 HG LEU 129 HG LEU 129 -11.869 -7.390 7.225 1023 HD11 LEU 129 HD11 LEU 129 -12.456 -5.077 6.638 1024 HD12 LEU 129 HD12 LEU 129 -13.381 -5.652 5.248 1025 HD13 LEU 129 HD13 LEU 129 -11.633 -5.891 5.308 1026 HD21 LEU 129 HD21 LEU 129 -14.880 -7.030 6.950 1027 HD22 LEU 129 HD22 LEU 129 -13.877 -6.395 8.260 1028 HD23 LEU 129 HD23 LEU 129 -14.062 -8.136 8.058 1029 H GLU 130 H GLU 130 -11.278 -11.730 5.325 1030 HA GLU 130 HA GLU 130 -12.085 -12.142 2.708 1031 HB2 GLU 130 HB2 GLU 130 -9.971 -12.966 3.728 1032 HB3 GLU 130 HB3 GLU 130 -10.881 -14.189 4.611 1033 HG2 GLU 130 HG2 GLU 130 -11.587 -15.183 2.425 1034 HG3 GLU 130 HG3 GLU 130 -10.578 -14.001 1.595 1035 H HIS 131 H HIS 131 -13.034 -14.201 5.498 1036 HA HIS 131 HA HIS 131 -14.886 -15.776 3.874 1037 HB2 HIS 131 HB2 HIS 131 -14.314 -15.976 6.859 1038 HB3 HIS 131 HB3 HIS 131 -15.124 -17.185 5.866 1039 HD1 HIS 131 HD1 HIS 131 -11.945 -16.519 7.308 1040 HD2 HIS 131 HD2 HIS 131 -13.208 -18.093 3.674 1041 HE1 HIS 131 HE1 HIS 131 -9.960 -17.735 6.376 1042 HE2 HIS 131 HE2 HIS 131 -10.681 -18.462 4.082 1043 H HIS 132 H HIS 132 -15.142 -12.864 5.525 1044 HA HIS 132 HA HIS 132 -17.837 -13.031 6.502 1045 HB2 HIS 132 HB2 HIS 132 -16.196 -11.332 7.300 1046 HB3 HIS 132 HB3 HIS 132 -16.194 -10.581 5.709 1047 HD1 HIS 132 HD1 HIS 132 -18.084 -8.946 5.195 1048 HD2 HIS 132 HD2 HIS 132 -18.605 -10.939 8.809 1049 HE1 HIS 132 HE1 HIS 132 -19.968 -7.761 6.352 1050 HE2 HIS 132 HE2 HIS 132 -20.351 -9.066 8.466 1051 H HIS 133 H HIS 133 -16.396 -11.447 3.618 1052 HA HIS 133 HA HIS 133 -18.290 -12.443 1.763 1053 HB2 HIS 133 HB2 HIS 133 -19.812 -10.799 2.894 1054 HB3 HIS 133 HB3 HIS 133 -18.705 -9.498 2.479 1055 HD1 HIS 133 HD1 HIS 133 -21.063 -11.970 0.850 1056 HD2 HIS 133 HD2 HIS 133 -19.073 -8.450 -0.076 1057 HE1 HIS 133 HE1 HIS 133 -21.927 -11.296 -1.395 1058 HE2 HIS 133 HE2 HIS 133 -20.853 -9.077 -1.852 1059 H HIS 134 H HIS 134 -17.208 -12.475 -0.146 1060 HA HIS 134 HA HIS 134 -14.961 -10.699 -0.687 1061 HB2 HIS 134 HB2 HIS 134 -16.188 -12.986 -2.290 1062 HB3 HIS 134 HB3 HIS 134 -14.817 -12.033 -2.853 1063 HD1 HIS 134 HD1 HIS 134 -15.634 -14.962 -0.851 1064 HD2 HIS 134 HD2 HIS 134 -12.452 -12.314 -1.121 1065 HE1 HIS 134 HE1 HIS 134 -13.705 -16.134 0.235 1066 HE2 HIS 134 HE2 HIS 134 -11.750 -14.605 -0.147 1067 H HIS 135 H HIS 135 -15.213 -8.767 -1.602 1068 HA HIS 135 HA HIS 135 -16.917 -8.296 -3.896 1069 HB2 HIS 135 HB2 HIS 135 -18.442 -7.909 -1.876 1070 HB3 HIS 135 HB3 HIS 135 -17.418 -6.546 -1.439 1071 HD1 HIS 135 HD1 HIS 135 -18.180 -4.362 -2.373 1072 HD2 HIS 135 HD2 HIS 135 -19.589 -7.555 -4.618 1073 HE1 HIS 135 HE1 HIS 135 -19.700 -3.352 -4.092 1074 HE2 HIS 135 HE2 HIS 135 -20.463 -5.288 -5.501 1075 H HIS 136 H HIS 136 -14.502 -7.227 -1.606 1076 HA HIS 136 HA HIS 136 -13.487 -5.097 -3.359 1077 HB2 HIS 136 HB2 HIS 136 -12.641 -6.084 -0.602 1078 HB3 HIS 136 HB3 HIS 136 -11.726 -4.875 -1.497 1079 HD1 HIS 136 HD1 HIS 136 -12.398 -2.519 -1.122 1080 HD2 HIS 136 HD2 HIS 136 -15.424 -5.162 -0.041 1081 HE1 HIS 136 HE1 HIS 136 -14.183 -1.105 -0.073 1082 HE2 HIS 136 HE2 HIS 136 -16.028 -2.706 0.519 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -6.442 22.864 -5.313 2 H2 MET 1 H2 MET 1 -7.931 22.796 -4.520 3 H3 MET 1 H3 MET 1 -6.843 21.514 -4.377 4 HA MET 1 HA MET 1 -6.383 24.270 -3.390 5 HB2 MET 1 HB2 MET 1 -7.163 21.732 -1.901 6 HB3 MET 1 HB3 MET 1 -6.590 23.193 -1.099 7 HG2 MET 1 HG2 MET 1 -9.108 22.947 -2.763 8 HG3 MET 1 HG3 MET 1 -9.021 23.034 -1.003 9 HE1 MET 1 HE1 MET 1 -8.443 25.248 0.359 10 HE2 MET 1 HE2 MET 1 -7.876 26.737 -0.397 11 HE3 MET 1 HE3 MET 1 -6.863 25.294 -0.426 12 H LYS 2 H LYS 2 -4.715 22.126 -4.966 13 HA LYS 2 HA LYS 2 -2.576 21.481 -5.165 14 HB2 LYS 2 HB2 LYS 2 -2.049 23.789 -4.328 15 HB3 LYS 2 HB3 LYS 2 -1.971 23.165 -2.694 16 HG2 LYS 2 HG2 LYS 2 -0.134 22.042 -4.813 17 HG3 LYS 2 HG3 LYS 2 0.225 23.607 -4.081 18 HD2 LYS 2 HD2 LYS 2 0.277 22.556 -1.843 19 HD3 LYS 2 HD3 LYS 2 -0.106 20.990 -2.561 20 HE2 LYS 2 HE2 LYS 2 2.411 22.617 -3.073 21 HE3 LYS 2 HE3 LYS 2 2.294 21.168 -2.076 22 HZ1 LYS 2 HZ1 LYS 2 1.658 19.918 -4.065 23 HZ2 LYS 2 HZ2 LYS 2 3.177 20.637 -4.236 24 HZ3 LYS 2 HZ3 LYS 2 1.834 21.308 -5.011 25 H LYS 3 H LYS 3 -1.465 19.643 -4.649 26 HA LYS 3 HA LYS 3 -2.679 17.726 -2.980 27 HB2 LYS 3 HB2 LYS 3 0.037 17.761 -4.307 28 HB3 LYS 3 HB3 LYS 3 -0.586 16.356 -3.459 29 HG2 LYS 3 HG2 LYS 3 -2.118 17.601 -5.747 30 HG3 LYS 3 HG3 LYS 3 -0.799 16.457 -6.030 31 HD2 LYS 3 HD2 LYS 3 -2.072 14.870 -4.419 32 HD3 LYS 3 HD3 LYS 3 -3.451 15.970 -4.611 33 HE2 LYS 3 HE2 LYS 3 -3.563 15.508 -6.979 34 HE3 LYS 3 HE3 LYS 3 -2.018 14.652 -6.951 35 HZ1 LYS 3 HZ1 LYS 3 -3.015 12.933 -5.626 36 HZ2 LYS 3 HZ2 LYS 3 -3.890 13.152 -7.053 37 HZ3 LYS 3 HZ3 LYS 3 -4.487 13.757 -5.585 38 H GLU 4 H GLU 4 -2.307 16.998 -0.994 39 HA GLU 4 HA GLU 4 0.021 17.899 0.600 40 HB2 GLU 4 HB2 GLU 4 -1.939 19.264 1.246 41 HB3 GLU 4 HB3 GLU 4 -2.891 17.807 1.522 42 HG2 GLU 4 HG2 GLU 4 -1.429 17.167 3.382 43 HG3 GLU 4 HG3 GLU 4 -0.396 18.561 3.074 44 H LYS 5 H LYS 5 0.968 16.295 1.789 45 HA LYS 5 HA LYS 5 0.228 13.574 1.256 46 HB2 LYS 5 HB2 LYS 5 2.586 14.367 1.309 47 HB3 LYS 5 HB3 LYS 5 2.450 14.659 3.033 48 HG2 LYS 5 HG2 LYS 5 1.909 11.879 1.987 49 HG3 LYS 5 HG3 LYS 5 3.579 12.439 2.065 50 HD2 LYS 5 HD2 LYS 5 1.644 12.291 4.420 51 HD3 LYS 5 HD3 LYS 5 2.940 11.141 4.079 52 HE2 LYS 5 HE2 LYS 5 3.309 14.088 4.738 53 HE3 LYS 5 HE3 LYS 5 3.596 12.737 5.833 54 HZ1 LYS 5 HZ1 LYS 5 5.051 13.173 3.282 55 HZ2 LYS 5 HZ2 LYS 5 5.361 11.961 4.416 56 HZ3 LYS 5 HZ3 LYS 5 5.643 13.581 4.810 57 H ILE 6 H ILE 6 -0.503 12.046 2.608 58 HA ILE 6 HA ILE 6 -1.270 12.597 5.372 59 HB ILE 6 HB ILE 6 -3.567 11.690 5.097 60 HG12 ILE 6 HG12 ILE 6 -2.913 11.657 2.118 61 HG13 ILE 6 HG13 ILE 6 -3.305 10.276 3.147 62 HG21 ILE 6 HG21 ILE 6 -3.106 14.114 3.322 63 HG22 ILE 6 HG22 ILE 6 -3.290 14.130 5.078 64 HG23 ILE 6 HG23 ILE 6 -4.645 13.646 4.057 65 HD11 ILE 6 HD11 ILE 6 -5.208 12.477 2.354 66 HD12 ILE 6 HD12 ILE 6 -5.592 11.071 3.353 67 HD13 ILE 6 HD13 ILE 6 -5.124 10.856 1.668 68 H HIS 7 H HIS 7 -0.903 10.835 6.616 69 HA HIS 7 HA HIS 7 -0.372 8.227 5.315 70 HB2 HIS 7 HB2 HIS 7 1.066 7.738 7.285 71 HB3 HIS 7 HB3 HIS 7 1.611 9.142 6.382 72 HD1 HIS 7 HD1 HIS 7 0.734 8.035 9.729 73 HD2 HIS 7 HD2 HIS 7 0.992 11.677 7.741 74 HE1 HIS 7 HE1 HIS 7 0.795 9.785 11.534 75 HE2 HIS 7 HE2 HIS 7 0.835 11.976 10.313 76 H LEU 8 H LEU 8 -1.889 6.733 5.609 77 HA LEU 8 HA LEU 8 -3.926 7.073 7.708 78 HB2 LEU 8 HB2 LEU 8 -3.996 5.319 5.213 79 HB3 LEU 8 HB3 LEU 8 -5.306 5.506 6.360 80 HG LEU 8 HG LEU 8 -5.938 6.801 4.497 81 HD11 LEU 8 HD11 LEU 8 -6.041 9.103 5.262 82 HD12 LEU 8 HD12 LEU 8 -4.767 8.792 6.444 83 HD13 LEU 8 HD13 LEU 8 -6.327 7.977 6.590 84 HD21 LEU 8 HD21 LEU 8 -3.183 8.066 4.405 85 HD22 LEU 8 HD22 LEU 8 -4.546 8.455 3.348 86 HD23 LEU 8 HD23 LEU 8 -3.821 6.850 3.291 87 H GLU 9 H GLU 9 -3.617 5.838 9.509 88 HA GLU 9 HA GLU 9 -1.952 3.419 9.398 89 HB2 GLU 9 HB2 GLU 9 -1.418 5.097 11.119 90 HB3 GLU 9 HB3 GLU 9 -3.036 4.949 11.802 91 HG2 GLU 9 HG2 GLU 9 -2.560 2.592 12.388 92 HG3 GLU 9 HG3 GLU 9 -0.947 2.750 11.695 93 H TYR 10 H TYR 10 -2.706 1.387 9.672 94 HA TYR 10 HA TYR 10 -5.546 0.935 10.420 95 HB2 TYR 10 HB2 TYR 10 -3.952 -0.617 8.326 96 HB3 TYR 10 HB3 TYR 10 -5.638 -0.894 8.766 97 HD1 TYR 10 HD1 TYR 10 -7.131 1.411 8.608 98 HD2 TYR 10 HD2 TYR 10 -3.627 0.569 6.303 99 HE1 TYR 10 HE1 TYR 10 -7.863 3.023 6.907 100 HE2 TYR 10 HE2 TYR 10 -4.366 2.180 4.598 101 HH TYR 10 HH TYR 10 -6.451 3.224 3.814 102 H LEU 11 H LEU 11 -5.965 -0.863 11.715 103 HA LEU 11 HA LEU 11 -3.642 -2.288 12.908 104 HB2 LEU 11 HB2 LEU 11 -6.420 -1.955 14.110 105 HB3 LEU 11 HB3 LEU 11 -4.971 -2.537 14.921 106 HG LEU 11 HG LEU 11 -5.399 0.322 13.946 107 HD11 LEU 11 HD11 LEU 11 -5.657 0.938 16.302 108 HD12 LEU 11 HD12 LEU 11 -5.546 -0.759 16.779 109 HD13 LEU 11 HD13 LEU 11 -6.907 -0.202 15.798 110 HD21 LEU 11 HD21 LEU 11 -3.143 -0.833 15.627 111 HD22 LEU 11 HD22 LEU 11 -3.368 0.873 15.229 112 HD23 LEU 11 HD23 LEU 11 -3.024 -0.287 13.951 113 H LEU 12 H LEU 12 -3.698 -4.593 13.039 114 HA LEU 12 HA LEU 12 -6.235 -5.962 12.592 115 HB2 LEU 12 HB2 LEU 12 -5.384 -7.587 10.946 116 HB3 LEU 12 HB3 LEU 12 -5.425 -5.963 10.324 117 HG LEU 12 HG LEU 12 -3.549 -7.061 9.379 118 HD11 LEU 12 HD11 LEU 12 -3.162 -4.750 9.910 119 HD12 LEU 12 HD12 LEU 12 -1.672 -5.683 9.995 120 HD13 LEU 12 HD13 LEU 12 -2.490 -5.193 11.481 121 HD21 LEU 12 HD21 LEU 12 -3.270 -8.904 10.933 122 HD22 LEU 12 HD22 LEU 12 -2.569 -7.820 12.137 123 HD23 LEU 12 HD23 LEU 12 -1.728 -8.112 10.613 124 H ASN 13 H ASN 13 -6.214 -8.254 13.138 125 HA ASN 13 HA ASN 13 -5.136 -8.589 15.759 126 HB2 ASN 13 HB2 ASN 13 -6.567 -10.619 13.994 127 HB3 ASN 13 HB3 ASN 13 -6.326 -10.760 15.736 128 HD21 ASN 13 HD21 ASN 13 -7.532 -9.391 17.120 129 HD22 ASN 13 HD22 ASN 13 -8.956 -8.587 16.572 130 H ALA 14 H ALA 14 -3.827 -10.364 16.546 131 HA ALA 14 HA ALA 14 -1.477 -10.949 15.035 132 HB1 ALA 14 HB1 ALA 14 -2.415 -12.181 17.652 133 HB2 ALA 14 HB2 ALA 14 -1.453 -10.710 17.484 134 HB3 ALA 14 HB3 ALA 14 -0.781 -12.263 16.985 135 H THR 15 H THR 15 -2.559 -11.888 13.160 136 HA THR 15 HA THR 15 -2.658 -14.830 13.198 137 HB THR 15 HB THR 15 -4.693 -14.839 11.675 138 HG1 THR 15 HG1 THR 15 -4.934 -12.818 10.902 139 HG21 THR 15 HG21 THR 15 -5.033 -15.370 14.065 140 HG22 THR 15 HG22 THR 15 -6.425 -14.515 13.395 141 HG23 THR 15 HG23 THR 15 -5.271 -13.655 14.416 142 H SER 16 H SER 16 -2.867 -11.849 11.281 143 HA SER 16 HA SER 16 -1.738 -13.110 8.882 144 HB2 SER 16 HB2 SER 16 -2.853 -10.303 9.301 145 HB3 SER 16 HB3 SER 16 -2.448 -11.045 7.751 146 HG SER 16 HG SER 16 -4.260 -12.137 7.800 147 H LYS 17 H LYS 17 0.287 -12.644 8.079 148 HA LYS 17 HA LYS 17 2.170 -11.244 9.868 149 HB2 LYS 17 HB2 LYS 17 2.717 -13.182 7.577 150 HB3 LYS 17 HB3 LYS 17 3.952 -12.455 8.591 151 HG2 LYS 17 HG2 LYS 17 3.715 -14.606 9.473 152 HG3 LYS 17 HG3 LYS 17 2.767 -13.602 10.571 153 HD2 LYS 17 HD2 LYS 17 0.686 -14.314 9.392 154 HD3 LYS 17 HD3 LYS 17 1.654 -15.328 8.319 155 HE2 LYS 17 HE2 LYS 17 1.385 -15.659 11.329 156 HE3 LYS 17 HE3 LYS 17 0.629 -16.671 10.099 157 HZ1 LYS 17 HZ1 LYS 17 2.850 -17.324 9.359 158 HZ2 LYS 17 HZ2 LYS 17 2.590 -17.728 10.977 159 HZ3 LYS 17 HZ3 LYS 17 3.546 -16.393 10.584 160 H ASN 18 H ASN 18 4.228 -10.483 8.450 161 HA ASN 18 HA ASN 18 3.670 -8.151 7.028 162 HB2 ASN 18 HB2 ASN 18 6.097 -8.258 6.322 163 HB3 ASN 18 HB3 ASN 18 5.816 -8.453 8.040 164 HD21 ASN 18 HD21 ASN 18 6.461 -10.276 9.052 165 HD22 ASN 18 HD22 ASN 18 7.243 -11.597 8.266 166 H ILE 19 H ILE 19 3.789 -11.363 5.902 167 HA ILE 19 HA ILE 19 4.459 -11.232 3.204 168 HB ILE 19 HB ILE 19 2.593 -13.175 4.625 169 HG12 ILE 19 HG12 ILE 19 5.588 -13.591 4.231 170 HG13 ILE 19 HG13 ILE 19 4.990 -12.694 5.618 171 HG21 ILE 19 HG21 ILE 19 4.244 -13.620 2.107 172 HG22 ILE 19 HG22 ILE 19 2.484 -13.507 2.191 173 HG23 ILE 19 HG23 ILE 19 3.317 -14.861 2.957 174 HD11 ILE 19 HD11 ILE 19 5.458 -14.968 6.196 175 HD12 ILE 19 HD12 ILE 19 4.348 -15.556 4.957 176 HD13 ILE 19 HD13 ILE 19 3.731 -14.645 6.342 177 H LEU 20 H LEU 20 1.482 -10.232 4.721 178 HA LEU 20 HA LEU 20 -0.541 -10.384 2.874 179 HB2 LEU 20 HB2 LEU 20 0.201 -7.995 4.606 180 HB3 LEU 20 HB3 LEU 20 -1.336 -8.138 3.768 181 HG LEU 20 HG LEU 20 -0.387 -10.045 5.939 182 HD11 LEU 20 HD11 LEU 20 -1.989 -8.915 7.422 183 HD12 LEU 20 HD12 LEU 20 -2.356 -7.740 6.157 184 HD13 LEU 20 HD13 LEU 20 -0.738 -7.799 6.867 185 HD21 LEU 20 HD21 LEU 20 -3.102 -9.778 4.594 186 HD22 LEU 20 HD22 LEU 20 -2.718 -10.849 5.944 187 HD23 LEU 20 HD23 LEU 20 -1.954 -11.104 4.379 188 H TRP 21 H TRP 21 1.615 -7.537 3.089 189 HA TRP 21 HA TRP 21 0.853 -6.668 0.383 190 HB2 TRP 21 HB2 TRP 21 2.136 -5.253 2.733 191 HB3 TRP 21 HB3 TRP 21 2.130 -4.538 1.129 192 HD1 TRP 21 HD1 TRP 21 -0.202 -5.229 4.096 193 HE1 TRP 21 HE1 TRP 21 -2.373 -3.897 3.733 194 HE3 TRP 21 HE3 TRP 21 0.545 -3.729 -0.746 195 HZ2 TRP 21 HZ2 TRP 21 -3.614 -2.400 1.679 196 HZ3 TRP 21 HZ3 TRP 21 -1.182 -2.349 -1.838 197 HH2 TRP 21 HH2 TRP 21 -3.222 -1.702 -0.651 198 H SER 22 H SER 22 3.505 -8.197 1.983 199 HA SER 22 HA SER 22 5.731 -7.264 0.533 200 HB2 SER 22 HB2 SER 22 5.946 -8.700 2.530 201 HB3 SER 22 HB3 SER 22 5.254 -10.062 1.649 202 HG SER 22 HG SER 22 7.337 -10.422 1.358 203 H ALA 23 H ALA 23 3.133 -9.237 -0.566 204 HA ALA 23 HA ALA 23 4.141 -10.662 -2.727 205 HB1 ALA 23 HB1 ALA 23 1.456 -9.274 -2.492 206 HB2 ALA 23 HB2 ALA 23 1.857 -10.860 -1.832 207 HB3 ALA 23 HB3 ALA 23 1.842 -10.615 -3.578 208 H ILE 24 H ILE 24 3.273 -7.203 -2.613 209 HA ILE 24 HA ILE 24 3.177 -6.710 -5.399 210 HB ILE 24 HB ILE 24 3.114 -4.323 -4.862 211 HG12 ILE 24 HG12 ILE 24 4.031 -5.217 -2.098 212 HG13 ILE 24 HG13 ILE 24 4.818 -4.071 -3.168 213 HG21 ILE 24 HG21 ILE 24 1.123 -4.309 -3.409 214 HG22 ILE 24 HG22 ILE 24 1.481 -5.957 -2.890 215 HG23 ILE 24 HG23 ILE 24 1.055 -5.633 -4.573 216 HD11 ILE 24 HD11 ILE 24 3.825 -2.961 -1.282 217 HD12 ILE 24 HD12 ILE 24 2.248 -3.648 -1.652 218 HD13 ILE 24 HD13 ILE 24 2.983 -2.478 -2.756 219 H SER 25 H SER 25 5.894 -7.029 -3.324 220 HA SER 25 HA SER 25 7.758 -5.401 -4.807 221 HB2 SER 25 HB2 SER 25 9.443 -6.328 -3.339 222 HB3 SER 25 HB3 SER 25 7.995 -6.049 -2.372 223 HG SER 25 HG SER 25 7.965 -8.092 -1.931 224 H THR 26 H THR 26 6.745 -8.780 -4.867 225 HA THR 26 HA THR 26 8.677 -9.473 -6.982 226 HB THR 26 HB THR 26 7.830 -11.822 -6.704 227 HG1 THR 26 HG1 THR 26 6.024 -10.532 -5.018 228 HG21 THR 26 HG21 THR 26 9.819 -11.134 -5.458 229 HG22 THR 26 HG22 THR 26 8.853 -12.255 -4.497 230 HG23 THR 26 HG23 THR 26 8.813 -10.526 -4.135 231 HA PRO 27 HA PRO 27 5.702 -9.211 -10.404 232 HB2 PRO 27 HB2 PRO 27 6.679 -11.417 -11.854 233 HB3 PRO 27 HB3 PRO 27 7.345 -9.782 -11.928 234 HG2 PRO 27 HG2 PRO 27 8.235 -12.117 -10.216 235 HG3 PRO 27 HG3 PRO 27 9.226 -11.011 -11.202 236 HD2 PRO 27 HD2 PRO 27 9.079 -10.642 -8.598 237 HD3 PRO 27 HD3 PRO 27 8.941 -9.225 -9.668 238 H THR 28 H THR 28 6.405 -12.652 -9.537 239 HA THR 28 HA THR 28 3.953 -13.802 -10.018 240 HB THR 28 HB THR 28 5.830 -15.226 -9.577 241 HG1 THR 28 HG1 THR 28 3.676 -15.940 -8.857 242 HG21 THR 28 HG21 THR 28 6.898 -15.480 -7.357 243 HG22 THR 28 HG22 THR 28 5.899 -14.172 -6.722 244 HG23 THR 28 HG23 THR 28 7.097 -13.832 -7.972 245 H GLY 29 H GLY 29 4.958 -12.213 -6.962 246 HA2 GLY 29 HA2 GLY 29 2.607 -12.876 -5.469 247 HA3 GLY 29 HA3 GLY 29 3.774 -11.622 -5.071 248 H LEU 30 H LEU 30 3.496 -10.140 -7.507 249 HA LEU 30 HA LEU 30 1.340 -8.415 -6.856 250 HB2 LEU 30 HB2 LEU 30 3.660 -8.342 -8.520 251 HB3 LEU 30 HB3 LEU 30 2.312 -7.933 -9.567 252 HG LEU 30 HG LEU 30 3.096 -6.491 -7.015 253 HD11 LEU 30 HD11 LEU 30 3.394 -5.594 -9.890 254 HD12 LEU 30 HD12 LEU 30 4.700 -6.108 -8.817 255 HD13 LEU 30 HD13 LEU 30 3.787 -4.647 -8.450 256 HD21 LEU 30 HD21 LEU 30 0.911 -5.785 -8.989 257 HD22 LEU 30 HD22 LEU 30 1.427 -4.805 -7.612 258 HD23 LEU 30 HD23 LEU 30 0.680 -6.377 -7.340 259 H GLU 31 H GLU 31 1.780 -10.707 -9.599 260 HA GLU 31 HA GLU 31 -0.732 -10.124 -10.839 261 HB2 GLU 31 HB2 GLU 31 -0.289 -12.061 -12.301 262 HB3 GLU 31 HB3 GLU 31 1.115 -11.013 -12.153 263 HG2 GLU 31 HG2 GLU 31 2.113 -12.596 -10.526 264 HG3 GLU 31 HG3 GLU 31 0.723 -13.666 -10.734 265 H ASP 32 H ASP 32 -0.065 -11.970 -8.070 266 HA ASP 32 HA ASP 32 -2.159 -13.864 -8.105 267 HB2 ASP 32 HB2 ASP 32 -0.368 -14.013 -6.477 268 HB3 ASP 32 HB3 ASP 32 -0.742 -12.416 -5.834 269 H TRP 33 H TRP 33 -2.159 -10.382 -7.440 270 HA TRP 33 HA TRP 33 -5.083 -10.334 -7.185 271 HB2 TRP 33 HB2 TRP 33 -5.054 -9.115 -5.043 272 HB3 TRP 33 HB3 TRP 33 -4.324 -10.703 -4.877 273 HD1 TRP 33 HD1 TRP 33 -1.313 -10.125 -5.625 274 HE1 TRP 33 HE1 TRP 33 0.133 -8.657 -4.102 275 HE3 TRP 33 HE3 TRP 33 -5.019 -7.570 -3.199 276 HZ2 TRP 33 HZ2 TRP 33 -0.231 -6.683 -2.104 277 HZ3 TRP 33 HZ3 TRP 33 -4.391 -5.913 -1.486 278 HH2 TRP 33 HH2 TRP 33 -2.041 -5.478 -0.949 279 H PHE 34 H PHE 34 -2.682 -9.125 -8.841 280 HA PHE 34 HA PHE 34 -4.152 -6.711 -9.541 281 HB2 PHE 34 HB2 PHE 34 -2.483 -5.955 -7.768 282 HB3 PHE 34 HB3 PHE 34 -1.189 -6.460 -8.840 283 HD1 PHE 34 HD2 PHE 34 -4.041 -4.067 -8.519 284 HD2 PHE 34 HD1 PHE 34 -0.441 -5.012 -10.636 285 HE1 PHE 34 HE2 PHE 34 -4.104 -1.871 -9.626 286 HE2 PHE 34 HE1 PHE 34 -0.519 -2.812 -11.741 287 HZ PHE 34 HZ PHE 34 -2.350 -1.241 -11.237 288 H ALA 35 H ALA 35 -4.251 -6.657 -11.711 289 HA ALA 35 HA ALA 35 -3.940 -6.962 -13.911 290 HB1 ALA 35 HB1 ALA 35 -1.815 -5.761 -13.616 291 HB2 ALA 35 HB2 ALA 35 -1.695 -6.979 -14.887 292 HB3 ALA 35 HB3 ALA 35 -0.988 -7.288 -13.299 293 H ASP 36 H ASP 36 -3.543 -8.564 -15.619 294 HA ASP 36 HA ASP 36 -4.363 -11.155 -14.734 295 HB2 ASP 36 HB2 ASP 36 -3.560 -10.204 -17.520 296 HB3 ASP 36 HB3 ASP 36 -4.377 -11.730 -17.163 297 H LYS 37 H LYS 37 -1.295 -9.925 -16.079 298 HA LYS 37 HA LYS 37 0.175 -12.059 -14.738 299 HB2 LYS 37 HB2 LYS 37 -0.490 -12.688 -17.261 300 HB3 LYS 37 HB3 LYS 37 0.858 -11.642 -17.667 301 HG2 LYS 37 HG2 LYS 37 1.048 -14.089 -15.871 302 HG3 LYS 37 HG3 LYS 37 1.393 -14.084 -17.599 303 HD2 LYS 37 HD2 LYS 37 3.241 -12.463 -17.211 304 HD3 LYS 37 HD3 LYS 37 2.902 -12.504 -15.477 305 HE2 LYS 37 HE2 LYS 37 3.794 -14.875 -17.162 306 HE3 LYS 37 HE3 LYS 37 4.816 -13.944 -16.067 307 HZ1 LYS 37 HZ1 LYS 37 2.475 -15.603 -15.307 308 HZ2 LYS 37 HZ2 LYS 37 3.353 -14.635 -14.237 309 HZ3 LYS 37 HZ3 LYS 37 4.103 -15.946 -14.997 310 H VAL 38 H VAL 38 2.034 -11.197 -13.893 311 HA VAL 38 HA VAL 38 2.881 -8.490 -14.798 312 HB VAL 38 HB VAL 38 2.913 -9.673 -11.981 313 HG11 VAL 38 HG11 VAL 38 3.825 -7.501 -11.220 314 HG12 VAL 38 HG12 VAL 38 3.995 -6.986 -12.900 315 HG13 VAL 38 HG13 VAL 38 4.947 -8.343 -12.293 316 HG21 VAL 38 HG21 VAL 38 0.688 -8.856 -12.687 317 HG22 VAL 38 HG22 VAL 38 1.381 -7.282 -13.090 318 HG23 VAL 38 HG23 VAL 38 1.362 -7.837 -11.413 319 H VAL 39 H VAL 39 4.686 -8.753 -16.001 320 HA VAL 39 HA VAL 39 6.851 -10.573 -15.106 321 HB VAL 39 HB VAL 39 6.643 -9.113 -17.780 322 HG11 VAL 39 HG11 VAL 39 8.412 -11.453 -16.941 323 HG12 VAL 39 HG12 VAL 39 8.947 -9.791 -17.206 324 HG13 VAL 39 HG13 VAL 39 8.341 -10.747 -18.559 325 HG21 VAL 39 HG21 VAL 39 5.878 -11.250 -18.775 326 HG22 VAL 39 HG22 VAL 39 4.727 -10.642 -17.583 327 HG23 VAL 39 HG23 VAL 39 5.807 -11.975 -17.164 328 H SER 40 H SER 40 8.442 -9.627 -13.923 329 HA SER 40 HA SER 40 8.968 -6.758 -14.001 330 HB2 SER 40 HB2 SER 40 10.593 -7.219 -12.193 331 HB3 SER 40 HB3 SER 40 9.033 -7.964 -11.837 332 HG SER 40 HG SER 40 11.013 -9.276 -11.528 333 H ASP 41 H ASP 41 10.601 -5.776 -15.041 334 HA ASP 41 HA ASP 41 12.479 -7.177 -16.770 335 HB2 ASP 41 HB2 ASP 41 12.340 -4.172 -16.218 336 HB3 ASP 41 HB3 ASP 41 13.032 -4.975 -17.625 337 H ASP 42 H ASP 42 12.601 -6.953 -13.590 338 HA ASP 42 HA ASP 42 13.972 -6.644 -11.849 339 HB2 ASP 42 HB2 ASP 42 15.732 -7.862 -13.114 340 HB3 ASP 42 HB3 ASP 42 16.236 -6.356 -13.870 341 H LYS 43 H LYS 43 13.888 -4.874 -10.623 342 HA LYS 43 HA LYS 43 13.652 -2.770 -9.870 343 HB2 LYS 43 HB2 LYS 43 15.189 -1.876 -12.341 344 HB3 LYS 43 HB3 LYS 43 14.732 -0.812 -11.011 345 HG2 LYS 43 HG2 LYS 43 16.135 -2.185 -9.475 346 HG3 LYS 43 HG3 LYS 43 16.626 -3.184 -10.852 347 HD2 LYS 43 HD2 LYS 43 17.634 -1.197 -11.933 348 HD3 LYS 43 HD3 LYS 43 17.122 -0.192 -10.573 349 HE2 LYS 43 HE2 LYS 43 18.575 -1.537 -9.067 350 HE3 LYS 43 HE3 LYS 43 19.118 -2.481 -10.460 351 HZ1 LYS 43 HZ1 LYS 43 19.448 0.449 -10.155 352 HZ2 LYS 43 HZ2 LYS 43 20.044 -0.506 -11.420 353 HZ3 LYS 43 HZ3 LYS 43 20.649 -0.702 -9.858 354 H THR 44 H THR 44 13.018 -2.870 -13.393 355 HA THR 44 HA THR 44 10.573 -1.263 -13.100 356 HB THR 44 HB THR 44 11.793 -2.564 -15.584 357 HG1 THR 44 HG1 THR 44 13.035 -0.837 -14.646 358 HG21 THR 44 HG21 THR 44 10.307 -1.083 -16.891 359 HG22 THR 44 HG22 THR 44 9.544 -0.528 -15.398 360 HG23 THR 44 HG23 THR 44 9.379 -2.212 -15.903 361 H VAL 45 H VAL 45 8.501 -2.091 -13.478 362 HA VAL 45 HA VAL 45 8.129 -5.037 -13.599 363 HB VAL 45 HB VAL 45 6.709 -3.048 -11.748 364 HG11 VAL 45 HG11 VAL 45 5.408 -4.988 -10.910 365 HG12 VAL 45 HG12 VAL 45 6.102 -5.992 -12.184 366 HG13 VAL 45 HG13 VAL 45 5.054 -4.634 -12.602 367 HG21 VAL 45 HG21 VAL 45 8.437 -5.471 -11.084 368 HG22 VAL 45 HG22 VAL 45 7.613 -4.442 -9.909 369 HG23 VAL 45 HG23 VAL 45 8.914 -3.780 -10.900 370 H THR 46 H THR 46 7.085 -5.460 -15.485 371 HA THR 46 HA THR 46 5.210 -3.539 -16.685 372 HB THR 46 HB THR 46 6.202 -6.176 -17.874 373 HG1 THR 46 HG1 THR 46 7.998 -4.977 -17.865 374 HG21 THR 46 HG21 THR 46 4.111 -5.328 -18.916 375 HG22 THR 46 HG22 THR 46 5.476 -5.196 -20.028 376 HG23 THR 46 HG23 THR 46 4.885 -3.761 -19.185 377 H PHE 47 H PHE 47 3.166 -3.708 -15.968 378 HA PHE 47 HA PHE 47 1.905 -6.240 -15.224 379 HB2 PHE 47 HB2 PHE 47 0.407 -3.617 -15.516 380 HB3 PHE 47 HB3 PHE 47 0.099 -4.947 -14.407 381 HD1 PHE 47 HD1 PHE 47 1.467 -5.184 -12.340 382 HD2 PHE 47 HD2 PHE 47 1.957 -1.873 -14.994 383 HE1 PHE 47 HE1 PHE 47 2.673 -3.945 -10.586 384 HE2 PHE 47 HE2 PHE 47 3.155 -0.640 -13.251 385 HZ PHE 47 HZ PHE 47 3.515 -1.667 -11.031 386 H CYS 48 H CYS 48 0.751 -7.428 -16.653 387 HA CYS 48 HA CYS 48 0.091 -6.311 -19.322 388 HB2 CYS 48 HB2 CYS 48 0.541 -9.220 -18.534 389 HB3 CYS 48 HB3 CYS 48 0.225 -8.626 -20.166 390 HG CYS 48 HG CYS 48 2.937 -7.490 -18.446 391 H TRP 49 H TRP 49 -1.964 -6.204 -19.915 392 HA TRP 49 HA TRP 49 -4.099 -7.563 -18.388 393 HB2 TRP 49 HB2 TRP 49 -4.052 -4.739 -19.533 394 HB3 TRP 49 HB3 TRP 49 -5.539 -5.539 -19.034 395 HD1 TRP 49 HD1 TRP 49 -5.637 -6.263 -16.335 396 HE1 TRP 49 HE1 TRP 49 -4.760 -4.962 -14.306 397 HE3 TRP 49 HE3 TRP 49 -2.271 -3.204 -18.696 398 HZ2 TRP 49 HZ2 TRP 49 -2.904 -2.930 -13.751 399 HZ3 TRP 49 HZ3 TRP 49 -0.979 -1.609 -17.331 400 HH2 TRP 49 HH2 TRP 49 -1.290 -1.475 -14.908 401 H GLY 50 H GLY 50 -5.239 -8.939 -19.563 402 HA2 GLY 50 HA2 GLY 50 -6.298 -10.006 -21.283 403 HA3 GLY 50 HA3 GLY 50 -6.357 -8.463 -22.113 404 H LYS 51 H LYS 51 -4.770 -7.979 -23.676 405 HA LYS 51 HA LYS 51 -3.272 -10.330 -24.697 406 HB2 LYS 51 HB2 LYS 51 -4.690 -8.210 -26.383 407 HB3 LYS 51 HB3 LYS 51 -3.789 -9.587 -26.996 408 HG2 LYS 51 HG2 LYS 51 -6.019 -10.250 -27.246 409 HG3 LYS 51 HG3 LYS 51 -5.519 -11.055 -25.757 410 HD2 LYS 51 HD2 LYS 51 -6.616 -9.216 -24.444 411 HD3 LYS 51 HD3 LYS 51 -7.163 -8.494 -25.961 412 HE2 LYS 51 HE2 LYS 51 -7.922 -11.268 -24.975 413 HE3 LYS 51 HE3 LYS 51 -8.932 -9.829 -24.834 414 HZ1 LYS 51 HZ1 LYS 51 -8.032 -11.086 -27.372 415 HZ2 LYS 51 HZ2 LYS 51 -8.949 -9.672 -27.261 416 HZ3 LYS 51 HZ3 LYS 51 -9.594 -11.137 -26.726 417 H THR 52 H THR 52 -3.460 -6.799 -25.385 418 HA THR 52 HA THR 52 -0.502 -6.742 -25.730 419 HB THR 52 HB THR 52 -0.859 -4.887 -27.367 420 HG1 THR 52 HG1 THR 52 -3.150 -4.722 -28.127 421 HG21 THR 52 HG21 THR 52 -0.682 -7.187 -28.242 422 HG22 THR 52 HG22 THR 52 -1.796 -6.227 -29.223 423 HG23 THR 52 HG23 THR 52 -2.426 -7.399 -28.060 424 H GLU 53 H GLU 53 -2.896 -5.574 -23.660 425 HA GLU 53 HA GLU 53 -1.960 -2.838 -23.407 426 HB2 GLU 53 HB2 GLU 53 -4.098 -4.403 -21.929 427 HB3 GLU 53 HB3 GLU 53 -3.627 -2.770 -21.462 428 HG2 GLU 53 HG2 GLU 53 -4.224 -1.995 -23.773 429 HG3 GLU 53 HG3 GLU 53 -4.840 -3.618 -24.108 430 H GLN 54 H GLN 54 0.172 -3.012 -22.770 431 HA GLN 54 HA GLN 54 0.699 -4.052 -20.037 432 HB2 GLN 54 HB2 GLN 54 2.940 -4.746 -20.815 433 HB3 GLN 54 HB3 GLN 54 1.656 -5.556 -21.712 434 HG2 GLN 54 HG2 GLN 54 2.027 -4.093 -23.634 435 HG3 GLN 54 HG3 GLN 54 3.233 -3.174 -22.740 436 HE21 GLN 54 HE21 GLN 54 2.970 -6.713 -22.713 437 HE22 GLN 54 HE22 GLN 54 4.456 -6.995 -23.538 438 H ARG 55 H ARG 55 1.317 -2.531 -18.628 439 HA ARG 55 HA ARG 55 2.775 -0.114 -19.556 440 HB2 ARG 55 HB2 ARG 55 0.604 -0.225 -17.400 441 HB3 ARG 55 HB3 ARG 55 1.664 1.154 -17.661 442 HG2 ARG 55 HG2 ARG 55 -0.346 1.760 -18.731 443 HG3 ARG 55 HG3 ARG 55 0.708 1.256 -20.052 444 HD2 ARG 55 HD2 ARG 55 -0.433 -0.945 -20.097 445 HD3 ARG 55 HD3 ARG 55 -1.478 -0.424 -18.772 446 HE ARG 55 HE ARG 55 -1.550 1.246 -21.149 447 HH11 ARG 55 HH11 ARG 55 -3.070 -1.365 -19.438 448 HH12 ARG 55 HH12 ARG 55 -4.501 -1.292 -20.406 449 HH21 ARG 55 HH21 ARG 55 -3.415 1.299 -22.353 450 HH22 ARG 55 HH22 ARG 55 -4.691 0.179 -22.013 451 H GLN 56 H GLN 56 4.214 0.802 -17.868 452 HA GLN 56 HA GLN 56 5.351 -1.361 -16.174 453 HB2 GLN 56 HB2 GLN 56 6.919 0.732 -17.746 454 HB3 GLN 56 HB3 GLN 56 7.589 -0.590 -16.790 455 HG2 GLN 56 HG2 GLN 56 6.470 -2.203 -18.363 456 HG3 GLN 56 HG3 GLN 56 5.995 -0.828 -19.358 457 HE21 GLN 56 HE21 GLN 56 8.660 -2.809 -18.284 458 HE22 GLN 56 HE22 GLN 56 9.799 -2.254 -19.449 459 H ALA 57 H ALA 57 6.575 -0.734 -14.337 460 HA ALA 57 HA ALA 57 6.558 2.021 -13.370 461 HB1 ALA 57 HB1 ALA 57 5.113 -0.148 -11.800 462 HB2 ALA 57 HB2 ALA 57 4.337 1.195 -12.640 463 HB3 ALA 57 HB3 ALA 57 5.395 1.511 -11.263 464 H GLY 58 H GLY 58 8.436 2.401 -12.327 465 HA2 GLY 58 HA2 GLY 58 10.219 0.165 -11.605 466 HA3 GLY 58 HA3 GLY 58 10.670 1.848 -11.811 467 H ILE 59 H ILE 59 10.819 -0.326 -9.538 468 HA ILE 59 HA ILE 59 9.605 0.862 -7.239 469 HB ILE 59 HB ILE 59 12.010 -1.030 -7.404 470 HG12 ILE 59 HG12 ILE 59 10.330 -2.691 -6.350 471 HG13 ILE 59 HG13 ILE 59 9.073 -1.526 -6.740 472 HG21 ILE 59 HG21 ILE 59 11.784 -1.384 -4.952 473 HG22 ILE 59 HG22 ILE 59 10.562 -0.112 -4.885 474 HG23 ILE 59 HG23 ILE 59 12.221 0.283 -5.339 475 HD11 ILE 59 HD11 ILE 59 10.867 -2.917 -8.725 476 HD12 ILE 59 HD12 ILE 59 9.567 -1.784 -9.107 477 HD13 ILE 59 HD13 ILE 59 9.194 -3.330 -8.350 478 H VAL 60 H VAL 60 10.226 2.615 -6.086 479 HA VAL 60 HA VAL 60 12.548 4.179 -6.863 480 HB VAL 60 HB VAL 60 10.684 4.811 -4.532 481 HG11 VAL 60 HG11 VAL 60 11.267 7.162 -5.042 482 HG12 VAL 60 HG12 VAL 60 12.293 6.629 -6.373 483 HG13 VAL 60 HG13 VAL 60 12.715 6.205 -4.712 484 HG21 VAL 60 HG21 VAL 60 9.230 4.355 -6.461 485 HG22 VAL 60 HG22 VAL 60 10.160 5.480 -7.453 486 HG23 VAL 60 HG23 VAL 60 9.229 6.079 -6.079 487 H ALA 61 H ALA 61 11.334 2.677 -3.851 488 HA ALA 61 HA ALA 61 13.956 1.796 -3.022 489 HB1 ALA 61 HB1 ALA 61 13.999 2.995 -0.867 490 HB2 ALA 61 HB2 ALA 61 12.532 3.872 -1.316 491 HB3 ALA 61 HB3 ALA 61 14.025 4.127 -2.220 492 H ILE 62 H ILE 62 13.889 0.318 -1.272 493 HA ILE 62 HA ILE 62 11.464 -0.499 0.035 494 HB ILE 62 HB ILE 62 10.976 -1.579 -2.115 495 HG12 ILE 62 HG12 ILE 62 11.842 -3.599 0.016 496 HG13 ILE 62 HG13 ILE 62 10.267 -2.831 -0.127 497 HG21 ILE 62 HG21 ILE 62 12.448 -3.266 -3.145 498 HG22 ILE 62 HG22 ILE 62 13.668 -2.982 -1.900 499 HG23 ILE 62 HG23 ILE 62 13.250 -1.697 -3.037 500 HD11 ILE 62 HD11 ILE 62 9.880 -4.056 -2.205 501 HD12 ILE 62 HD12 ILE 62 10.199 -5.124 -0.841 502 HD13 ILE 62 HD13 ILE 62 11.459 -4.829 -2.037 503 H ARG 63 H ARG 63 11.825 -2.036 1.706 504 HA ARG 63 HA ARG 63 14.367 -3.355 2.086 505 HB2 ARG 63 HB2 ARG 63 15.005 -1.190 3.005 506 HB3 ARG 63 HB3 ARG 63 13.553 -1.128 3.997 507 HG2 ARG 63 HG2 ARG 63 14.362 -2.917 5.421 508 HG3 ARG 63 HG3 ARG 63 15.743 -3.207 4.358 509 HD2 ARG 63 HD2 ARG 63 15.250 -0.620 5.876 510 HD3 ARG 63 HD3 ARG 63 16.311 -1.921 6.429 511 HE ARG 63 HE ARG 63 17.473 -1.510 4.157 512 HH11 ARG 63 HH11 ARG 63 16.122 1.024 6.097 513 HH12 ARG 63 HH12 ARG 63 17.248 2.198 5.516 514 HH21 ARG 63 HH21 ARG 63 18.872 -0.004 3.431 515 HH22 ARG 63 HH22 ARG 63 18.791 1.613 4.021 516 H ALA 64 H ALA 64 13.459 -5.300 2.333 517 HA ALA 64 HA ALA 64 12.355 -7.089 3.129 518 HB1 ALA 64 HB1 ALA 64 12.492 -5.625 5.776 519 HB2 ALA 64 HB2 ALA 64 13.791 -6.590 5.072 520 HB3 ALA 64 HB3 ALA 64 12.279 -7.363 5.554 521 H TYR 65 H TYR 65 10.726 -4.899 5.407 522 HA TYR 65 HA TYR 65 8.179 -4.964 3.967 523 HB2 TYR 65 HB2 TYR 65 6.905 -5.915 5.806 524 HB3 TYR 65 HB3 TYR 65 8.199 -7.032 5.416 525 HD1 TYR 65 HD2 TYR 65 10.482 -6.463 6.911 526 HD2 TYR 65 HD1 TYR 65 6.451 -5.696 8.099 527 HE1 TYR 65 HE2 TYR 65 11.171 -6.482 9.274 528 HE2 TYR 65 HE1 TYR 65 7.132 -5.715 10.451 529 HH TYR 65 HH TYR 65 10.366 -5.573 11.449 530 H SER 66 H SER 66 10.454 -3.301 5.648 531 HA SER 66 HA SER 66 8.974 -1.655 7.448 532 HB2 SER 66 HB2 SER 66 11.776 -1.233 6.318 533 HB3 SER 66 HB3 SER 66 11.095 -0.444 7.745 534 HG SER 66 HG SER 66 11.605 -2.135 8.860 535 H PHE 67 H PHE 67 9.439 -1.467 4.025 536 HA PHE 67 HA PHE 67 7.728 0.638 3.553 537 HB2 PHE 67 HB2 PHE 67 9.161 2.522 2.784 538 HB3 PHE 67 HB3 PHE 67 9.322 2.230 4.505 539 HD1 PHE 67 HD1 PHE 67 11.062 2.014 1.231 540 HD2 PHE 67 HD2 PHE 67 11.467 1.545 5.465 541 HE1 PHE 67 HE1 PHE 67 13.502 1.988 0.999 542 HE2 PHE 67 HE2 PHE 67 13.915 1.518 5.219 543 HZ PHE 67 HZ PHE 67 14.934 1.742 2.987 544 H ILE 68 H ILE 68 7.159 0.750 1.407 545 HA ILE 68 HA ILE 68 9.100 0.230 -0.702 546 HB ILE 68 HB ILE 68 8.170 -2.029 -0.248 547 HG12 ILE 68 HG12 ILE 68 7.304 -0.870 -2.943 548 HG13 ILE 68 HG13 ILE 68 8.897 -1.515 -2.548 549 HG21 ILE 68 HG21 ILE 68 5.803 -2.578 -0.684 550 HG22 ILE 68 HG22 ILE 68 5.455 -0.871 -0.968 551 HG23 ILE 68 HG23 ILE 68 5.969 -1.411 0.633 552 HD11 ILE 68 HD11 ILE 68 6.334 -3.091 -2.700 553 HD12 ILE 68 HD12 ILE 68 7.919 -3.742 -2.274 554 HD13 ILE 68 HD13 ILE 68 7.641 -3.076 -3.881 555 H ARG 69 H ARG 69 8.639 1.389 -2.618 556 HA ARG 69 HA ARG 69 5.988 2.466 -3.143 557 HB2 ARG 69 HB2 ARG 69 6.810 4.859 -3.392 558 HB3 ARG 69 HB3 ARG 69 6.655 4.277 -1.746 559 HG2 ARG 69 HG2 ARG 69 9.360 4.174 -3.082 560 HG3 ARG 69 HG3 ARG 69 8.746 5.718 -2.493 561 HD2 ARG 69 HD2 ARG 69 8.457 4.664 -0.225 562 HD3 ARG 69 HD3 ARG 69 9.248 3.211 -0.850 563 HE ARG 69 HE ARG 69 11.051 5.140 -1.408 564 HH11 ARG 69 HH11 ARG 69 9.412 4.463 1.580 565 HH12 ARG 69 HH12 ARG 69 10.766 4.966 2.528 566 HH21 ARG 69 HH21 ARG 69 12.720 5.777 -0.139 567 HH22 ARG 69 HH22 ARG 69 12.574 5.706 1.580 568 H PHE 70 H PHE 70 5.753 3.473 -5.283 569 HA PHE 70 HA PHE 70 7.728 2.485 -7.291 570 HB2 PHE 70 HB2 PHE 70 4.685 2.232 -7.401 571 HB3 PHE 70 HB3 PHE 70 5.766 1.811 -8.720 572 HD1 PHE 70 HD2 PHE 70 4.873 0.895 -5.198 573 HD2 PHE 70 HD1 PHE 70 6.711 -0.380 -8.850 574 HE1 PHE 70 HE2 PHE 70 5.044 -1.394 -4.320 575 HE2 PHE 70 HE1 PHE 70 6.856 -2.671 -7.959 576 HZ PHE 70 HZ PHE 70 6.016 -3.178 -5.703 577 H HIS 71 H HIS 71 7.588 3.496 -9.424 578 HA HIS 71 HA HIS 71 6.046 6.020 -9.697 579 HB2 HIS 71 HB2 HIS 71 8.987 5.565 -10.188 580 HB3 HIS 71 HB3 HIS 71 8.146 6.583 -11.344 581 HD1 HIS 71 HD1 HIS 71 10.182 7.002 -8.575 582 HD2 HIS 71 HD2 HIS 71 6.537 8.665 -9.671 583 HE1 HIS 71 HE1 HIS 71 10.021 9.153 -7.295 584 HE2 HIS 71 HE2 HIS 71 7.903 10.216 -8.108 585 H TRP 72 H TRP 72 4.706 5.969 -11.423 586 HA TRP 72 HA TRP 72 4.672 3.759 -13.281 587 HB2 TRP 72 HB2 TRP 72 2.977 6.302 -13.298 588 HB3 TRP 72 HB3 TRP 72 2.646 4.827 -14.202 589 HD1 TRP 72 HD1 TRP 72 2.415 6.289 -10.667 590 HE1 TRP 72 HE1 TRP 72 0.996 4.727 -9.205 591 HE3 TRP 72 HE3 TRP 72 1.943 2.343 -13.907 592 HZ2 TRP 72 HZ2 TRP 72 -0.172 2.163 -9.383 593 HZ3 TRP 72 HZ3 TRP 72 0.651 0.372 -13.181 594 HH2 TRP 72 HH2 TRP 72 -0.386 0.285 -10.963 595 H LEU 73 H LEU 73 5.912 3.648 -15.070 596 HA LEU 73 HA LEU 73 7.492 5.855 -16.008 597 HB2 LEU 73 HB2 LEU 73 7.151 3.069 -17.167 598 HB3 LEU 73 HB3 LEU 73 8.395 4.220 -17.643 599 HG LEU 73 HG LEU 73 8.136 2.858 -14.925 600 HD11 LEU 73 HD11 LEU 73 10.268 1.793 -15.500 601 HD12 LEU 73 HD12 LEU 73 10.246 2.569 -17.087 602 HD13 LEU 73 HD13 LEU 73 9.007 1.384 -16.661 603 HD21 LEU 73 HD21 LEU 73 10.194 4.911 -15.820 604 HD22 LEU 73 HD22 LEU 73 10.246 3.990 -14.313 605 HD23 LEU 73 HD23 LEU 73 8.946 5.144 -14.592 606 H ASP 74 H ASP 74 4.563 4.272 -17.186 607 HA ASP 74 HA ASP 74 4.509 5.580 -19.764 608 HB2 ASP 74 HB2 ASP 74 2.441 3.959 -18.221 609 HB3 ASP 74 HB3 ASP 74 2.125 4.631 -19.824 610 H ASP 75 H ASP 75 3.775 6.719 -16.628 611 HA ASP 75 HA ASP 75 1.897 8.785 -17.567 612 HB2 ASP 75 HB2 ASP 75 1.703 7.493 -15.296 613 HB3 ASP 75 HB3 ASP 75 3.003 8.537 -14.740 614 H GLU 76 H GLU 76 2.546 10.847 -18.038 615 HA GLU 76 HA GLU 76 5.315 11.567 -18.191 616 HB2 GLU 76 HB2 GLU 76 4.458 13.775 -18.988 617 HB3 GLU 76 HB3 GLU 76 3.762 12.405 -19.847 618 HG2 GLU 76 HG2 GLU 76 1.681 12.606 -18.602 619 HG3 GLU 76 HG3 GLU 76 2.361 13.886 -17.597 620 H ASN 77 H ASN 77 2.911 11.945 -15.749 621 HA ASN 77 HA ASN 77 4.440 13.952 -14.218 622 HB2 ASN 77 HB2 ASN 77 1.679 12.795 -13.628 623 HB3 ASN 77 HB3 ASN 77 2.442 14.161 -12.815 624 HD21 ASN 77 HD21 ASN 77 0.764 13.086 -15.646 625 HD22 ASN 77 HD22 ASN 77 0.485 14.652 -16.321 626 H GLU 78 H GLU 78 5.104 13.546 -12.088 627 HA GLU 78 HA GLU 78 5.104 10.740 -11.128 628 HB2 GLU 78 HB2 GLU 78 6.822 13.122 -10.274 629 HB3 GLU 78 HB3 GLU 78 6.903 11.510 -9.560 630 HG2 GLU 78 HG2 GLU 78 7.553 10.592 -11.787 631 HG3 GLU 78 HG3 GLU 78 7.573 12.234 -12.433 632 H ARG 79 H ARG 79 2.756 12.401 -11.043 633 HA ARG 79 HA ARG 79 2.398 13.454 -8.357 634 HB2 ARG 79 HB2 ARG 79 0.534 13.249 -10.757 635 HB3 ARG 79 HB3 ARG 79 0.051 13.962 -9.216 636 HG2 ARG 79 HG2 ARG 79 1.824 15.673 -9.441 637 HG3 ARG 79 HG3 ARG 79 2.320 14.964 -10.982 638 HD2 ARG 79 HD2 ARG 79 0.123 15.517 -11.948 639 HD3 ARG 79 HD3 ARG 79 -0.406 16.180 -10.394 640 HE ARG 79 HE ARG 79 1.929 17.333 -11.782 641 HH11 ARG 79 HH11 ARG 79 -1.302 17.775 -10.606 642 HH12 ARG 79 HH12 ARG 79 -1.248 19.484 -10.828 643 HH21 ARG 79 HH21 ARG 79 1.941 19.514 -12.074 644 HH22 ARG 79 HH22 ARG 79 0.556 20.454 -11.655 645 H ASP 80 H ASP 80 2.728 10.428 -8.944 646 HA ASP 80 HA ASP 80 0.741 9.688 -6.888 647 HB2 ASP 80 HB2 ASP 80 0.194 8.498 -8.987 648 HB3 ASP 80 HB3 ASP 80 1.838 7.869 -9.083 649 H TYR 81 H TYR 81 1.634 9.151 -5.034 650 HA TYR 81 HA TYR 81 4.144 7.632 -4.890 651 HB2 TYR 81 HB2 TYR 81 4.745 10.004 -4.391 652 HB3 TYR 81 HB3 TYR 81 3.523 10.059 -3.131 653 HD1 TYR 81 HD1 TYR 81 6.781 8.516 -4.086 654 HD2 TYR 81 HD2 TYR 81 4.047 9.232 -0.882 655 HE1 TYR 81 HE1 TYR 81 8.489 7.805 -2.472 656 HE2 TYR 81 HE2 TYR 81 5.760 8.513 0.737 657 HH TYR 81 HH TYR 81 7.814 7.109 0.759 658 H PHE 82 H PHE 82 2.517 5.959 -4.743 659 HA PHE 82 HA PHE 82 1.019 5.779 -2.220 660 HB2 PHE 82 HB2 PHE 82 0.030 5.106 -4.498 661 HB3 PHE 82 HB3 PHE 82 1.118 3.724 -4.477 662 HD1 PHE 82 HD1 PHE 82 -1.690 5.346 -2.607 663 HD2 PHE 82 HD2 PHE 82 0.489 1.725 -3.290 664 HE1 PHE 82 HE1 PHE 82 -3.370 4.085 -1.327 665 HE2 PHE 82 HE2 PHE 82 -1.195 0.477 -2.000 666 HZ PHE 82 HZ PHE 82 -3.125 1.652 -1.023 667 H GLU 83 H GLU 83 2.197 5.151 -0.533 668 HA GLU 83 HA GLU 83 4.374 3.158 -0.820 669 HB2 GLU 83 HB2 GLU 83 5.247 5.354 -0.164 670 HB3 GLU 83 HB3 GLU 83 4.083 5.466 1.153 671 HG2 GLU 83 HG2 GLU 83 5.187 3.475 2.218 672 HG3 GLU 83 HG3 GLU 83 6.401 3.519 0.939 673 H ILE 84 H ILE 84 4.427 1.436 0.563 674 HA ILE 84 HA ILE 84 2.315 1.180 2.628 675 HB ILE 84 HB ILE 84 3.313 -1.146 0.912 676 HG12 ILE 84 HG12 ILE 84 0.781 -1.132 0.129 677 HG13 ILE 84 HG13 ILE 84 0.803 0.553 0.626 678 HG21 ILE 84 HG21 ILE 84 1.509 -2.420 2.015 679 HG22 ILE 84 HG22 ILE 84 1.102 -1.012 2.995 680 HG23 ILE 84 HG23 ILE 84 2.672 -1.796 3.185 681 HD11 ILE 84 HD11 ILE 84 2.543 1.020 -1.002 682 HD12 ILE 84 HD12 ILE 84 1.151 0.255 -1.768 683 HD13 ILE 84 HD13 ILE 84 2.606 -0.686 -1.448 684 H LYS 85 H LYS 85 3.135 0.783 4.602 685 HA LYS 85 HA LYS 85 5.593 -0.804 4.937 686 HB2 LYS 85 HB2 LYS 85 6.374 0.894 6.676 687 HB3 LYS 85 HB3 LYS 85 6.456 1.432 5.000 688 HG2 LYS 85 HG2 LYS 85 4.195 2.552 5.393 689 HG3 LYS 85 HG3 LYS 85 4.447 2.239 7.114 690 HD2 LYS 85 HD2 LYS 85 6.434 3.637 7.129 691 HD3 LYS 85 HD3 LYS 85 6.388 3.805 5.369 692 HE2 LYS 85 HE2 LYS 85 4.174 4.977 5.600 693 HE3 LYS 85 HE3 LYS 85 4.368 4.913 7.355 694 HZ1 LYS 85 HZ1 LYS 85 5.063 7.031 6.444 695 HZ2 LYS 85 HZ2 LYS 85 6.205 6.268 5.456 696 HZ3 LYS 85 HZ3 LYS 85 6.377 6.225 7.142 697 H MET 86 H MET 86 5.769 -1.760 7.063 698 HA MET 86 HA MET 86 3.294 -1.863 8.655 699 HB2 MET 86 HB2 MET 86 3.682 -4.515 8.605 700 HB3 MET 86 HB3 MET 86 2.721 -3.721 7.370 701 HG2 MET 86 HG2 MET 86 4.647 -3.719 5.850 702 HG3 MET 86 HG3 MET 86 5.633 -4.480 7.095 703 HE1 MET 86 HE1 MET 86 2.019 -6.644 5.173 704 HE2 MET 86 HE2 MET 86 2.439 -4.980 4.776 705 HE3 MET 86 HE3 MET 86 1.838 -5.375 6.389 706 H SER 87 H SER 87 3.688 -1.904 10.736 707 HA SER 87 HA SER 87 6.369 -2.567 11.796 708 HB2 SER 87 HB2 SER 87 5.525 -0.327 12.406 709 HB3 SER 87 HB3 SER 87 4.058 -1.038 13.079 710 HG SER 87 HG SER 87 5.476 -0.656 14.752 711 H TYR 88 H TYR 88 6.635 -4.289 13.134 712 HA TYR 88 HA TYR 88 4.307 -5.980 13.829 713 HB2 TYR 88 HB2 TYR 88 6.078 -7.139 12.595 714 HB3 TYR 88 HB3 TYR 88 7.297 -6.576 13.734 715 HD1 TYR 88 HD1 TYR 88 3.931 -8.085 14.475 716 HD2 TYR 88 HD2 TYR 88 8.169 -8.609 14.629 717 HE1 TYR 88 HE1 TYR 88 3.638 -10.138 15.778 718 HE2 TYR 88 HE2 TYR 88 7.869 -10.670 15.931 719 HH TYR 88 HH TYR 88 6.246 -11.751 17.338 720 H ASN 89 H ASN 89 3.503 -5.610 15.826 721 HA ASN 89 HA ASN 89 4.724 -3.958 17.780 722 HB2 ASN 89 HB2 ASN 89 2.337 -5.838 18.017 723 HB3 ASN 89 HB3 ASN 89 2.792 -4.652 19.241 724 HD21 ASN 89 HD21 ASN 89 1.433 -5.108 16.083 725 HD22 ASN 89 HD22 ASN 89 0.828 -3.514 15.895 726 H GLU 90 H GLU 90 4.927 -7.363 17.266 727 HA GLU 90 HA GLU 90 6.313 -8.954 18.001 728 HB2 GLU 90 HB2 GLU 90 8.032 -7.141 18.108 729 HB3 GLU 90 HB3 GLU 90 7.602 -6.873 19.793 730 HG2 GLU 90 HG2 GLU 90 8.253 -9.272 20.253 731 HG3 GLU 90 HG3 GLU 90 8.842 -9.368 18.600 732 H LEU 91 H LEU 91 5.765 -7.048 20.974 733 HA LEU 91 HA LEU 91 5.906 -9.220 22.765 734 HB2 LEU 91 HB2 LEU 91 4.579 -6.518 23.246 735 HB3 LEU 91 HB3 LEU 91 5.236 -7.601 24.469 736 HG LEU 91 HG LEU 91 6.841 -6.021 22.409 737 HD11 LEU 91 HD11 LEU 91 5.946 -4.615 24.204 738 HD12 LEU 91 HD12 LEU 91 7.698 -4.749 24.316 739 HD13 LEU 91 HD13 LEU 91 6.672 -5.671 25.421 740 HD21 LEU 91 HD21 LEU 91 7.941 -8.165 22.829 741 HD22 LEU 91 HD22 LEU 91 7.874 -7.889 24.572 742 HD23 LEU 91 HD23 LEU 91 8.863 -6.845 23.547 743 H THR 92 H THR 92 3.184 -7.527 21.262 744 HA THR 92 HA THR 92 1.240 -9.316 22.542 745 HB THR 92 HB THR 92 0.721 -6.902 22.603 746 HG1 THR 92 HG1 THR 92 -1.269 -7.806 20.892 747 HG21 THR 92 HG21 THR 92 1.732 -6.193 20.461 748 HG22 THR 92 HG22 THR 92 0.042 -5.692 20.563 749 HG23 THR 92 HG23 THR 92 0.495 -7.083 19.571 750 H GLY 93 H GLY 93 2.895 -8.921 19.547 751 HA2 GLY 93 HA2 GLY 93 3.087 -10.573 17.903 752 HA3 GLY 93 HA3 GLY 93 1.622 -11.333 18.486 753 H ASP 94 H ASP 94 0.460 -8.381 18.199 754 HA ASP 94 HA ASP 94 -0.831 -8.825 15.687 755 HB2 ASP 94 HB2 ASP 94 -0.799 -6.362 17.482 756 HB3 ASP 94 HB3 ASP 94 -1.913 -6.619 16.136 757 H TYR 95 H TYR 95 -0.995 -7.078 13.984 758 HA TYR 95 HA TYR 95 1.583 -5.710 13.423 759 HB2 TYR 95 HB2 TYR 95 -0.249 -7.284 11.636 760 HB3 TYR 95 HB3 TYR 95 0.496 -5.864 10.909 761 HD1 TYR 95 HD1 TYR 95 1.221 -9.123 12.603 762 HD2 TYR 95 HD2 TYR 95 2.807 -5.949 10.209 763 HE1 TYR 95 HE1 TYR 95 3.237 -10.451 12.170 764 HE2 TYR 95 HE2 TYR 95 4.823 -7.278 9.781 765 HH TYR 95 HH TYR 95 5.035 -10.634 10.706 766 H VAL 96 H VAL 96 1.536 -3.638 12.664 767 HA VAL 96 HA VAL 96 -1.053 -2.249 12.303 768 HB VAL 96 HB VAL 96 1.633 -1.070 13.192 769 HG11 VAL 96 HG11 VAL 96 0.374 1.043 13.527 770 HG12 VAL 96 HG12 VAL 96 -1.069 0.285 12.847 771 HG13 VAL 96 HG13 VAL 96 0.357 0.533 11.835 772 HG21 VAL 96 HG21 VAL 96 0.538 -0.632 15.369 773 HG22 VAL 96 HG22 VAL 96 0.579 -2.361 15.014 774 HG23 VAL 96 HG23 VAL 96 -0.920 -1.453 14.806 775 H LEU 97 H LEU 97 -1.384 -1.460 10.270 776 HA LEU 97 HA LEU 97 0.833 -1.251 8.347 777 HB2 LEU 97 HB2 LEU 97 -2.147 -1.490 8.030 778 HB3 LEU 97 HB3 LEU 97 -1.295 -0.573 6.807 779 HG LEU 97 HG LEU 97 -1.478 -2.730 5.909 780 HD11 LEU 97 HD11 LEU 97 0.768 -1.750 5.679 781 HD12 LEU 97 HD12 LEU 97 0.753 -3.509 5.600 782 HD13 LEU 97 HD13 LEU 97 1.299 -2.705 7.076 783 HD21 LEU 97 HD21 LEU 97 -2.147 -3.958 7.928 784 HD22 LEU 97 HD22 LEU 97 -0.481 -3.932 8.513 785 HD23 LEU 97 HD23 LEU 97 -0.891 -4.825 7.043 786 H GLU 98 H GLU 98 1.138 0.590 7.122 787 HA GLU 98 HA GLU 98 -0.124 3.128 7.861 788 HB2 GLU 98 HB2 GLU 98 2.601 2.357 8.681 789 HB3 GLU 98 HB3 GLU 98 2.675 3.741 7.614 790 HG2 GLU 98 HG2 GLU 98 0.866 3.708 10.038 791 HG3 GLU 98 HG3 GLU 98 2.562 4.168 10.147 792 H ILE 99 H ILE 99 -0.961 3.598 5.880 793 HA ILE 99 HA ILE 99 0.684 3.152 3.450 794 HB ILE 99 HB ILE 99 -2.335 3.306 3.836 795 HG12 ILE 99 HG12 ILE 99 -2.279 1.155 2.476 796 HG13 ILE 99 HG13 ILE 99 -0.524 1.230 2.499 797 HG21 ILE 99 HG21 ILE 99 -2.647 3.266 1.368 798 HG22 ILE 99 HG22 ILE 99 -0.918 3.562 1.158 799 HG23 ILE 99 HG23 ILE 99 -1.932 4.780 1.936 800 HD11 ILE 99 HD11 ILE 99 -1.402 -0.364 4.098 801 HD12 ILE 99 HD12 ILE 99 -2.313 0.913 4.905 802 HD13 ILE 99 HD13 ILE 99 -0.549 0.942 4.917 803 H THR 100 H THR 100 1.742 4.881 2.753 804 HA THR 100 HA THR 100 0.878 7.606 3.431 805 HB THR 100 HB THR 100 3.457 6.622 2.139 806 HG1 THR 100 HG1 THR 100 4.077 6.320 4.120 807 HG21 THR 100 HG21 THR 100 3.004 8.948 1.458 808 HG22 THR 100 HG22 THR 100 4.348 8.886 2.599 809 HG23 THR 100 HG23 THR 100 2.753 9.405 3.146 810 H ASP 101 H ASP 101 -0.572 8.402 2.070 811 HA ASP 101 HA ASP 101 -0.134 8.335 -0.865 812 HB2 ASP 101 HB2 ASP 101 -2.149 7.074 -0.243 813 HB3 ASP 101 HB3 ASP 101 -2.707 8.384 0.795 814 H PHE 102 H PHE 102 -0.750 10.470 -1.951 815 HA PHE 102 HA PHE 102 -1.185 12.679 -0.038 816 HB2 PHE 102 HB2 PHE 102 0.347 14.173 -1.066 817 HB3 PHE 102 HB3 PHE 102 1.209 12.683 -0.743 818 HD1 PHE 102 HD1 PHE 102 1.306 11.002 -2.871 819 HD2 PHE 102 HD2 PHE 102 0.746 15.233 -3.092 820 HE1 PHE 102 HE1 PHE 102 2.195 11.024 -5.159 821 HE2 PHE 102 HE2 PHE 102 1.634 15.229 -5.381 822 HZ PHE 102 HZ PHE 102 2.357 13.125 -6.409 823 H SER 103 H SER 103 -2.822 13.894 -0.402 824 HA SER 103 HA SER 103 -4.207 13.956 -3.018 825 HB2 SER 103 HB2 SER 103 -5.489 13.298 -0.321 826 HB3 SER 103 HB3 SER 103 -6.403 13.677 -1.784 827 HG SER 103 HG SER 103 -4.994 11.379 -1.100 828 H GLU 104 H GLU 104 -5.402 15.847 -3.413 829 HA GLU 104 HA GLU 104 -4.811 18.246 -1.978 830 HB2 GLU 104 HB2 GLU 104 -6.989 17.646 -4.019 831 HB3 GLU 104 HB3 GLU 104 -6.564 19.263 -3.453 832 HG2 GLU 104 HG2 GLU 104 -4.256 18.882 -4.371 833 HG3 GLU 104 HG3 GLU 104 -4.829 17.362 -5.055 834 H ALA 105 H ALA 105 -6.396 19.627 -0.833 835 HA ALA 105 HA ALA 105 -7.935 18.395 1.154 836 HB1 ALA 105 HB1 ALA 105 -8.194 21.233 0.127 837 HB2 ALA 105 HB2 ALA 105 -7.032 20.675 1.333 838 HB3 ALA 105 HB3 ALA 105 -8.760 20.636 1.690 839 H ASP 106 H ASP 106 -8.841 19.125 -2.114 840 HA ASP 106 HA ASP 106 -11.688 19.184 -1.865 841 HB2 ASP 106 HB2 ASP 106 -10.097 18.349 -4.321 842 HB3 ASP 106 HB3 ASP 106 -11.706 19.065 -4.279 843 H GLU 107 H GLU 107 -9.348 16.632 -2.062 844 HA GLU 107 HA GLU 107 -11.385 14.508 -2.473 845 HB2 GLU 107 HB2 GLU 107 -9.536 13.284 -3.715 846 HB3 GLU 107 HB3 GLU 107 -10.120 14.748 -4.509 847 HG2 GLU 107 HG2 GLU 107 -8.184 16.004 -3.585 848 HG3 GLU 107 HG3 GLU 107 -7.588 14.516 -2.853 849 H ALA 108 H ALA 108 -9.388 15.748 -0.181 850 HA ALA 108 HA ALA 108 -8.201 13.400 0.970 851 HB1 ALA 108 HB1 ALA 108 -7.800 14.827 2.941 852 HB2 ALA 108 HB2 ALA 108 -8.874 16.063 2.277 853 HB3 ALA 108 HB3 ALA 108 -7.363 15.673 1.453 854 H ASP 109 H ASP 109 -11.364 14.832 1.081 855 HA ASP 109 HA ASP 109 -12.440 13.974 3.498 856 HB2 ASP 109 HB2 ASP 109 -13.879 14.301 0.833 857 HB3 ASP 109 HB3 ASP 109 -14.652 14.275 2.418 858 H ASP 110 H ASP 110 -12.491 12.205 0.360 859 HA ASP 110 HA ASP 110 -13.968 9.962 1.464 860 HB2 ASP 110 HB2 ASP 110 -13.689 8.922 -0.766 861 HB3 ASP 110 HB3 ASP 110 -14.306 10.564 -0.882 862 H LEU 111 H LEU 111 -10.566 10.736 1.059 863 HA LEU 111 HA LEU 111 -9.502 8.168 1.719 864 HB2 LEU 111 HB2 LEU 111 -8.446 10.983 1.818 865 HB3 LEU 111 HB3 LEU 111 -7.555 9.755 2.686 866 HG LEU 111 HG LEU 111 -6.559 10.123 0.492 867 HD11 LEU 111 HD11 LEU 111 -7.911 7.413 0.601 868 HD12 LEU 111 HD12 LEU 111 -6.406 7.867 1.404 869 HD13 LEU 111 HD13 LEU 111 -6.485 7.832 -0.355 870 HD21 LEU 111 HD21 LEU 111 -8.514 10.935 -0.733 871 HD22 LEU 111 HD22 LEU 111 -9.222 9.318 -0.722 872 HD23 LEU 111 HD23 LEU 111 -7.723 9.624 -1.606 873 H LYS 112 H LYS 112 -10.527 10.916 3.747 874 HA LYS 112 HA LYS 112 -9.951 9.735 6.282 875 HB2 LYS 112 HB2 LYS 112 -12.019 11.882 5.621 876 HB3 LYS 112 HB3 LYS 112 -11.428 11.487 7.234 877 HG2 LYS 112 HG2 LYS 112 -9.806 12.685 4.966 878 HG3 LYS 112 HG3 LYS 112 -10.377 13.524 6.411 879 HD2 LYS 112 HD2 LYS 112 -8.930 12.077 7.820 880 HD3 LYS 112 HD3 LYS 112 -8.372 11.222 6.375 881 HE2 LYS 112 HE2 LYS 112 -6.707 12.874 7.075 882 HE3 LYS 112 HE3 LYS 112 -7.396 13.346 5.522 883 HZ1 LYS 112 HZ1 LYS 112 -8.176 14.452 8.165 884 HZ2 LYS 112 HZ2 LYS 112 -8.819 14.917 6.677 885 HZ3 LYS 112 HZ3 LYS 112 -7.196 15.224 7.025 886 H GLU 113 H GLU 113 -12.746 9.634 4.136 887 HA GLU 113 HA GLU 113 -14.576 8.266 5.833 888 HB2 GLU 113 HB2 GLU 113 -15.214 9.447 3.717 889 HB3 GLU 113 HB3 GLU 113 -14.397 8.201 2.787 890 HG2 GLU 113 HG2 GLU 113 -16.747 7.746 2.704 891 HG3 GLU 113 HG3 GLU 113 -16.013 6.516 3.731 892 H LEU 114 H LEU 114 -12.112 7.128 3.525 893 HA LEU 114 HA LEU 114 -12.586 4.340 3.688 894 HB2 LEU 114 HB2 LEU 114 -11.231 5.296 1.893 895 HB3 LEU 114 HB3 LEU 114 -10.047 5.883 3.049 896 HG LEU 114 HG LEU 114 -9.419 3.528 3.598 897 HD11 LEU 114 HD11 LEU 114 -11.348 2.739 1.397 898 HD12 LEU 114 HD12 LEU 114 -11.508 2.384 3.120 899 HD13 LEU 114 HD13 LEU 114 -10.196 1.660 2.193 900 HD21 LEU 114 HD21 LEU 114 -8.124 4.742 1.906 901 HD22 LEU 114 HD22 LEU 114 -9.210 4.168 0.638 902 HD23 LEU 114 HD23 LEU 114 -8.204 3.021 1.526 903 H TRP 115 H TRP 115 -10.282 6.412 5.459 904 HA TRP 115 HA TRP 115 -9.110 4.433 7.096 905 HB2 TRP 115 HB2 TRP 115 -8.107 6.679 6.742 906 HB3 TRP 115 HB3 TRP 115 -9.438 7.421 7.626 907 HD1 TRP 115 HD1 TRP 115 -6.294 5.252 8.222 908 HE1 TRP 115 HE1 TRP 115 -5.669 5.389 10.709 909 HE3 TRP 115 HE3 TRP 115 -10.329 7.898 9.954 910 HZ2 TRP 115 HZ2 TRP 115 -6.724 6.459 13.094 911 HZ3 TRP 115 HZ3 TRP 115 -10.444 8.436 12.357 912 HH2 TRP 115 HH2 TRP 115 -8.677 7.729 13.896 913 H ASP 116 H ASP 116 -11.822 6.674 7.723 914 HA ASP 116 HA ASP 116 -12.463 5.848 10.344 915 HB2 ASP 116 HB2 ASP 116 -13.244 7.990 9.478 916 HB3 ASP 116 HB3 ASP 116 -14.179 7.192 8.218 917 H SER 117 H SER 117 -13.590 4.699 7.183 918 HA SER 117 HA SER 117 -15.586 2.894 7.955 919 HB2 SER 117 HB2 SER 117 -15.187 3.397 5.587 920 HB3 SER 117 HB3 SER 117 -13.592 2.651 5.658 921 HG SER 117 HG SER 117 -15.348 1.330 4.770 922 H GLN 118 H GLN 118 -12.053 2.438 7.734 923 HA GLN 118 HA GLN 118 -12.089 -0.339 8.430 924 HB2 GLN 118 HB2 GLN 118 -9.757 1.618 8.559 925 HB3 GLN 118 HB3 GLN 118 -9.637 -0.141 8.595 926 HG2 GLN 118 HG2 GLN 118 -10.521 1.597 6.272 927 HG3 GLN 118 HG3 GLN 118 -9.050 0.636 6.390 928 HE21 GLN 118 HE21 GLN 118 -12.478 0.570 5.799 929 HE22 GLN 118 HE22 GLN 118 -12.562 -1.053 5.225 930 H VAL 119 H VAL 119 -11.282 2.615 10.351 931 HA VAL 119 HA VAL 119 -10.455 1.169 12.664 932 HB VAL 119 HB VAL 119 -9.662 3.471 12.213 933 HG11 VAL 119 HG11 VAL 119 -11.718 4.506 11.373 934 HG12 VAL 119 HG12 VAL 119 -11.063 5.448 12.714 935 HG13 VAL 119 HG13 VAL 119 -12.457 4.393 12.972 936 HG21 VAL 119 HG21 VAL 119 -11.053 3.199 14.908 937 HG22 VAL 119 HG22 VAL 119 -9.750 4.333 14.541 938 HG23 VAL 119 HG23 VAL 119 -9.442 2.595 14.499 939 H SER 120 H SER 120 -13.592 2.615 11.781 940 HA SER 120 HA SER 120 -14.986 2.146 14.207 941 HB2 SER 120 HB2 SER 120 -16.047 2.265 11.352 942 HB3 SER 120 HB3 SER 120 -17.061 2.295 12.796 943 HG SER 120 HG SER 120 -15.530 4.290 11.667 944 H LYS 121 H LYS 121 -14.495 0.105 11.335 945 HA LYS 121 HA LYS 121 -16.058 -2.121 12.249 946 HB2 LYS 121 HB2 LYS 121 -13.977 -1.897 10.046 947 HB3 LYS 121 HB3 LYS 121 -14.924 -3.355 10.353 948 HG2 LYS 121 HG2 LYS 121 -16.993 -2.190 9.831 949 HG3 LYS 121 HG3 LYS 121 -16.131 -0.654 9.689 950 HD2 LYS 121 HD2 LYS 121 -14.850 -1.624 7.744 951 HD3 LYS 121 HD3 LYS 121 -15.866 -3.069 7.848 952 HE2 LYS 121 HE2 LYS 121 -17.862 -1.737 7.347 953 HE3 LYS 121 HE3 LYS 121 -16.912 -0.249 7.361 954 HZ1 LYS 121 HZ1 LYS 121 -15.629 -1.175 5.488 955 HZ2 LYS 121 HZ2 LYS 121 -17.260 -0.921 5.130 956 HZ3 LYS 121 HZ3 LYS 121 -16.697 -2.484 5.434 957 H LEU 122 H LEU 122 -12.653 -1.231 12.627 958 HA LEU 122 HA LEU 122 -11.690 -3.708 13.659 959 HB2 LEU 122 HB2 LEU 122 -10.690 -0.866 14.119 960 HB3 LEU 122 HB3 LEU 122 -9.818 -2.311 14.618 961 HG LEU 122 HG LEU 122 -10.492 -1.610 11.737 962 HD11 LEU 122 HD11 LEU 122 -7.842 -1.357 13.166 963 HD12 LEU 122 HD12 LEU 122 -8.869 -0.034 12.609 964 HD13 LEU 122 HD13 LEU 122 -8.116 -1.113 11.438 965 HD21 LEU 122 HD21 LEU 122 -10.354 -4.031 12.088 966 HD22 LEU 122 HD22 LEU 122 -8.761 -3.849 12.827 967 HD23 LEU 122 HD23 LEU 122 -8.995 -3.456 11.122 968 H ARG 123 H ARG 123 -13.298 -0.944 15.201 969 HA ARG 123 HA ARG 123 -13.154 -1.838 17.897 970 HB2 ARG 123 HB2 ARG 123 -15.354 -0.194 16.570 971 HB3 ARG 123 HB3 ARG 123 -15.081 -0.331 18.308 972 HG2 ARG 123 HG2 ARG 123 -12.853 0.756 17.998 973 HG3 ARG 123 HG3 ARG 123 -13.218 0.958 16.284 974 HD2 ARG 123 HD2 ARG 123 -13.683 3.046 17.389 975 HD3 ARG 123 HD3 ARG 123 -15.233 2.320 16.948 976 HE ARG 123 HE ARG 123 -14.500 1.592 19.595 977 HH11 ARG 123 HH11 ARG 123 -15.825 4.260 17.825 978 HH12 ARG 123 HH12 ARG 123 -16.548 4.958 19.231 979 HH21 ARG 123 HH21 ARG 123 -15.430 2.504 21.368 980 HH22 ARG 123 HH22 ARG 123 -16.329 3.972 21.218 981 H ARG 124 H ARG 124 -15.320 -2.629 15.224 982 HA ARG 124 HA ARG 124 -17.262 -4.102 16.761 983 HB2 ARG 124 HB2 ARG 124 -16.782 -4.181 13.751 984 HB3 ARG 124 HB3 ARG 124 -18.230 -4.739 14.597 985 HG2 ARG 124 HG2 ARG 124 -18.706 -2.421 15.312 986 HG3 ARG 124 HG3 ARG 124 -17.242 -1.871 14.488 987 HD2 ARG 124 HD2 ARG 124 -18.204 -2.670 12.326 988 HD3 ARG 124 HD3 ARG 124 -19.700 -3.084 13.175 989 HE ARG 124 HE ARG 124 -19.547 -0.548 13.837 990 HH11 ARG 124 HH11 ARG 124 -18.873 -1.891 10.713 991 HH12 ARG 124 HH12 ARG 124 -19.350 -0.450 9.890 992 HH21 ARG 124 HH21 ARG 124 -20.110 1.273 12.759 993 HH22 ARG 124 HH22 ARG 124 -20.025 1.330 11.036 994 H THR 125 H THR 125 -14.447 -5.042 14.741 995 HA THR 125 HA THR 125 -15.016 -7.811 14.585 996 HB THR 125 HB THR 125 -13.481 -6.701 12.987 997 HG1 THR 125 HG1 THR 125 -12.048 -8.763 14.324 998 HG21 THR 125 HG21 THR 125 -11.137 -6.269 13.546 999 HG22 THR 125 HG22 THR 125 -11.421 -6.729 15.226 1000 HG23 THR 125 HG23 THR 125 -12.186 -5.284 14.565 1001 H CYS 126 H CYS 126 -13.356 -5.956 17.047 1002 HA CYS 126 HA CYS 126 -12.533 -6.403 19.110 1003 HB2 CYS 126 HB2 CYS 126 -14.666 -7.595 19.481 1004 HB3 CYS 126 HB3 CYS 126 -13.977 -9.064 18.805 1005 HG CYS 126 HG CYS 126 -13.964 -9.705 21.394 1006 H GLY 127 H GLY 127 -11.090 -8.117 20.404 1007 HA2 GLY 127 HA2 GLY 127 -8.798 -8.926 18.926 1008 HA3 GLY 127 HA3 GLY 127 -9.203 -9.418 20.564 1009 H PHE 128 H PHE 128 -11.722 -10.635 19.902 1010 HA PHE 128 HA PHE 128 -10.847 -13.121 18.557 1011 HB2 PHE 128 HB2 PHE 128 -13.172 -12.653 20.474 1012 HB3 PHE 128 HB3 PHE 128 -12.766 -14.200 19.737 1013 HD1 PHE 128 HD1 PHE 128 -10.670 -15.406 20.414 1014 HD2 PHE 128 HD2 PHE 128 -11.913 -11.816 22.390 1015 HE1 PHE 128 HE1 PHE 128 -9.146 -15.898 22.282 1016 HE2 PHE 128 HE2 PHE 128 -10.386 -12.320 24.250 1017 HZ PHE 128 HZ PHE 128 -9.003 -14.358 24.201 1018 H LEU 129 H LEU 129 -11.330 -13.005 16.432 1019 HA LEU 129 HA LEU 129 -13.712 -11.703 15.395 1020 HB2 LEU 129 HB2 LEU 129 -11.591 -11.549 14.161 1021 HB3 LEU 129 HB3 LEU 129 -11.520 -13.296 14.011 1022 HG LEU 129 HG LEU 129 -13.542 -13.252 12.549 1023 HD11 LEU 129 HD11 LEU 129 -14.620 -11.213 13.401 1024 HD12 LEU 129 HD12 LEU 129 -14.431 -11.165 11.652 1025 HD13 LEU 129 HD13 LEU 129 -13.346 -10.226 12.679 1026 HD21 LEU 129 HD21 LEU 129 -11.308 -11.452 11.548 1027 HD22 LEU 129 HD22 LEU 129 -12.472 -12.330 10.549 1028 HD23 LEU 129 HD23 LEU 129 -11.307 -13.220 11.526 1029 H GLU 130 H GLU 130 -15.399 -12.908 16.353 1030 HA GLU 130 HA GLU 130 -15.849 -15.643 15.306 1031 HB2 GLU 130 HB2 GLU 130 -17.849 -15.533 17.018 1032 HB3 GLU 130 HB3 GLU 130 -16.218 -15.802 17.601 1033 HG2 GLU 130 HG2 GLU 130 -17.427 -14.259 19.055 1034 HG3 GLU 130 HG3 GLU 130 -16.036 -13.473 18.317 1035 H HIS 131 H HIS 131 -16.230 -12.862 13.988 1036 HA HIS 131 HA HIS 131 -19.039 -12.774 13.225 1037 HB2 HIS 131 HB2 HIS 131 -16.624 -11.200 12.235 1038 HB3 HIS 131 HB3 HIS 131 -18.288 -10.878 11.759 1039 HD1 HIS 131 HD1 HIS 131 -15.843 -10.284 14.479 1040 HD2 HIS 131 HD2 HIS 131 -19.900 -9.721 13.801 1041 HE1 HIS 131 HE1 HIS 131 -16.606 -8.703 16.255 1042 HE2 HIS 131 HE2 HIS 131 -19.083 -8.511 15.927 1043 H HIS 132 H HIS 132 -17.724 -15.275 12.512 1044 HA HIS 132 HA HIS 132 -17.079 -15.317 9.701 1045 HB2 HIS 132 HB2 HIS 132 -17.770 -17.659 11.536 1046 HB3 HIS 132 HB3 HIS 132 -16.999 -17.772 9.957 1047 HD1 HIS 132 HD1 HIS 132 -14.538 -16.796 9.800 1048 HD2 HIS 132 HD2 HIS 132 -16.036 -17.236 13.650 1049 HE1 HIS 132 HE1 HIS 132 -12.544 -16.634 11.314 1050 HE2 HIS 132 HE2 HIS 132 -13.485 -16.786 13.641 1051 H HIS 133 H HIS 133 -20.006 -15.385 11.502 1052 HA HIS 133 HA HIS 133 -22.207 -15.421 11.002 1053 HB2 HIS 133 HB2 HIS 133 -21.317 -15.111 8.099 1054 HB3 HIS 133 HB3 HIS 133 -22.941 -14.806 8.714 1055 HD1 HIS 133 HD1 HIS 133 -22.595 -13.012 11.031 1056 HD2 HIS 133 HD2 HIS 133 -20.157 -12.692 7.674 1057 HE1 HIS 133 HE1 HIS 133 -21.660 -10.689 11.106 1058 HE2 HIS 133 HE2 HIS 133 -20.254 -10.488 9.034 1059 H HIS 134 H HIS 134 -20.787 -17.893 11.228 1060 HA HIS 134 HA HIS 134 -20.911 -20.132 10.985 1061 HB2 HIS 134 HB2 HIS 134 -23.726 -19.666 9.908 1062 HB3 HIS 134 HB3 HIS 134 -23.114 -21.149 10.632 1063 HD1 HIS 134 HD1 HIS 134 -22.752 -21.098 13.270 1064 HD2 HIS 134 HD2 HIS 134 -24.629 -17.741 11.705 1065 HE1 HIS 134 HE1 HIS 134 -23.806 -19.946 15.229 1066 HE2 HIS 134 HE2 HIS 134 -25.038 -17.991 14.250 1067 H HIS 135 H HIS 135 -19.767 -18.625 8.877 1068 HA HIS 135 HA HIS 135 -20.200 -20.231 6.425 1069 HB2 HIS 135 HB2 HIS 135 -21.484 -18.082 6.299 1070 HB3 HIS 135 HB3 HIS 135 -20.019 -17.176 6.620 1071 HD1 HIS 135 HD1 HIS 135 -21.966 -18.759 3.907 1072 HD2 HIS 135 HD2 HIS 135 -18.219 -17.019 4.385 1073 HE1 HIS 135 HE1 HIS 135 -21.134 -18.302 1.583 1074 HE2 HIS 135 HE2 HIS 135 -18.938 -17.114 1.901 1075 H HIS 136 H HIS 136 -18.304 -20.229 4.980 1076 HA HIS 136 HA HIS 136 -15.788 -20.392 6.329 1077 HB2 HIS 136 HB2 HIS 136 -16.339 -20.373 3.336 1078 HB3 HIS 136 HB3 HIS 136 -14.837 -20.890 4.095 1079 HD1 HIS 136 HD1 HIS 136 -17.698 -22.285 2.626 1080 HD2 HIS 136 HD2 HIS 136 -15.547 -23.166 6.071 1081 HE1 HIS 136 HE1 HIS 136 -18.270 -24.663 3.181 1082 HE2 HIS 136 HE2 HIS 136 -17.088 -25.119 5.354 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -3.582 22.203 -3.659 2 H2 MET 1 H2 MET 1 -4.521 21.154 -4.575 3 H3 MET 1 H3 MET 1 -5.123 22.668 -4.175 4 HA MET 1 HA MET 1 -4.442 22.593 -6.461 5 HB2 MET 1 HB2 MET 1 -2.979 24.603 -6.440 6 HB3 MET 1 HB3 MET 1 -4.317 24.728 -5.308 7 HG2 MET 1 HG2 MET 1 -1.465 24.027 -4.550 8 HG3 MET 1 HG3 MET 1 -2.201 25.621 -4.381 9 HE1 MET 1 HE1 MET 1 -4.118 26.198 -2.586 10 HE2 MET 1 HE2 MET 1 -4.875 24.981 -1.558 11 HE3 MET 1 HE3 MET 1 -5.154 24.960 -3.300 12 H LYS 2 H LYS 2 -1.993 21.322 -4.294 13 HA LYS 2 HA LYS 2 -0.375 20.372 -6.597 14 HB2 LYS 2 HB2 LYS 2 0.690 21.634 -4.026 15 HB3 LYS 2 HB3 LYS 2 1.701 20.727 -5.146 16 HG2 LYS 2 HG2 LYS 2 1.236 22.401 -6.914 17 HG3 LYS 2 HG3 LYS 2 0.226 23.307 -5.780 18 HD2 LYS 2 HD2 LYS 2 2.187 23.717 -4.335 19 HD3 LYS 2 HD3 LYS 2 3.201 22.747 -5.407 20 HE2 LYS 2 HE2 LYS 2 3.542 25.154 -5.792 21 HE3 LYS 2 HE3 LYS 2 2.863 24.373 -7.220 22 HZ1 LYS 2 HZ1 LYS 2 1.301 25.934 -5.232 23 HZ2 LYS 2 HZ2 LYS 2 0.708 25.243 -6.659 24 HZ3 LYS 2 HZ3 LYS 2 1.821 26.507 -6.735 25 H LYS 3 H LYS 3 -2.424 19.025 -4.971 26 HA LYS 3 HA LYS 3 -2.931 17.147 -3.842 27 HB2 LYS 3 HB2 LYS 3 -0.098 16.275 -4.562 28 HB3 LYS 3 HB3 LYS 3 -1.297 15.209 -3.833 29 HG2 LYS 3 HG2 LYS 3 -1.632 16.585 -6.517 30 HG3 LYS 3 HG3 LYS 3 -1.039 14.933 -6.303 31 HD2 LYS 3 HD2 LYS 3 -3.217 14.344 -5.210 32 HD3 LYS 3 HD3 LYS 3 -3.796 15.985 -5.532 33 HE2 LYS 3 HE2 LYS 3 -4.672 14.592 -7.265 34 HE3 LYS 3 HE3 LYS 3 -3.373 15.525 -8.004 35 HZ1 LYS 3 HZ1 LYS 3 -3.209 13.266 -8.706 36 HZ2 LYS 3 HZ2 LYS 3 -3.261 12.697 -7.111 37 HZ3 LYS 3 HZ3 LYS 3 -1.920 13.560 -7.655 38 H GLU 4 H GLU 4 -2.140 15.622 -1.956 39 HA GLU 4 HA GLU 4 -0.478 16.912 0.051 40 HB2 GLU 4 HB2 GLU 4 -2.623 18.086 0.365 41 HB3 GLU 4 HB3 GLU 4 -3.493 16.559 0.439 42 HG2 GLU 4 HG2 GLU 4 -2.410 15.998 2.554 43 HG3 GLU 4 HG3 GLU 4 -1.416 17.450 2.467 44 H LYS 5 H LYS 5 0.343 15.418 1.493 45 HA LYS 5 HA LYS 5 -0.002 12.622 1.015 46 HB2 LYS 5 HB2 LYS 5 2.146 13.586 1.845 47 HB3 LYS 5 HB3 LYS 5 1.362 14.021 3.360 48 HG2 LYS 5 HG2 LYS 5 0.830 11.274 3.145 49 HG3 LYS 5 HG3 LYS 5 2.442 11.421 2.462 50 HD2 LYS 5 HD2 LYS 5 2.701 10.902 4.787 51 HD3 LYS 5 HD3 LYS 5 3.154 12.594 4.595 52 HE2 LYS 5 HE2 LYS 5 0.435 11.662 5.574 53 HE3 LYS 5 HE3 LYS 5 1.774 12.075 6.641 54 HZ1 LYS 5 HZ1 LYS 5 0.279 13.911 6.453 55 HZ2 LYS 5 HZ2 LYS 5 0.372 13.905 4.771 56 HZ3 LYS 5 HZ3 LYS 5 1.726 14.330 5.687 57 H ILE 6 H ILE 6 -1.421 11.273 1.912 58 HA ILE 6 HA ILE 6 -2.758 11.898 4.487 59 HB ILE 6 HB ILE 6 -4.787 10.700 3.720 60 HG12 ILE 6 HG12 ILE 6 -3.328 10.426 1.056 61 HG13 ILE 6 HG13 ILE 6 -3.881 9.126 2.114 62 HG21 ILE 6 HG21 ILE 6 -4.036 12.935 1.792 63 HG22 ILE 6 HG22 ILE 6 -4.694 13.149 3.414 64 HG23 ILE 6 HG23 ILE 6 -5.679 12.397 2.161 65 HD11 ILE 6 HD11 ILE 6 -6.193 9.732 1.613 66 HD12 ILE 6 HD12 ILE 6 -5.270 9.311 0.170 67 HD13 ILE 6 HD13 ILE 6 -5.619 11.001 0.527 68 H HIS 7 H HIS 7 -1.787 10.587 5.930 69 HA HIS 7 HA HIS 7 -0.728 7.980 5.129 70 HB2 HIS 7 HB2 HIS 7 0.393 9.820 6.689 71 HB3 HIS 7 HB3 HIS 7 -0.544 9.042 7.958 72 HD1 HIS 7 HD1 HIS 7 0.927 6.934 5.223 73 HD2 HIS 7 HD2 HIS 7 1.890 8.113 9.089 74 HE1 HIS 7 HE1 HIS 7 2.847 5.487 5.902 75 HE2 HIS 7 HE2 HIS 7 3.232 6.038 8.326 76 H LEU 8 H LEU 8 -2.163 6.343 5.080 77 HA LEU 8 HA LEU 8 -4.450 6.278 6.918 78 HB2 LEU 8 HB2 LEU 8 -3.918 4.429 4.551 79 HB3 LEU 8 HB3 LEU 8 -5.411 4.582 5.454 80 HG LEU 8 HG LEU 8 -5.890 5.680 3.455 81 HD11 LEU 8 HD11 LEU 8 -6.140 8.059 3.903 82 HD12 LEU 8 HD12 LEU 8 -4.994 7.950 5.241 83 HD13 LEU 8 HD13 LEU 8 -6.538 7.099 5.328 84 HD21 LEU 8 HD21 LEU 8 -3.171 7.011 3.486 85 HD22 LEU 8 HD22 LEU 8 -4.422 7.242 2.261 86 HD23 LEU 8 HD23 LEU 8 -3.675 5.660 2.465 87 H GLU 9 H GLU 9 -4.161 5.136 8.768 88 HA GLU 9 HA GLU 9 -2.228 2.893 8.898 89 HB2 GLU 9 HB2 GLU 9 -3.306 4.680 11.119 90 HB3 GLU 9 HB3 GLU 9 -2.168 3.350 11.345 91 HG2 GLU 9 HG2 GLU 9 -0.505 4.520 9.955 92 HG3 GLU 9 HG3 GLU 9 -1.641 5.849 9.691 93 H TYR 10 H TYR 10 -2.998 0.919 9.101 94 HA TYR 10 HA TYR 10 -5.774 0.409 10.012 95 HB2 TYR 10 HB2 TYR 10 -4.121 -1.186 7.990 96 HB3 TYR 10 HB3 TYR 10 -5.779 -1.531 8.469 97 HD1 TYR 10 HD1 TYR 10 -7.619 0.142 7.857 98 HD2 TYR 10 HD2 TYR 10 -3.664 0.406 6.237 99 HE1 TYR 10 HE1 TYR 10 -8.446 1.602 6.062 100 HE2 TYR 10 HE2 TYR 10 -4.498 1.864 4.441 101 HH TYR 10 HH TYR 10 -6.618 2.373 3.302 102 H LEU 11 H LEU 11 -6.024 -1.043 11.685 103 HA LEU 11 HA LEU 11 -3.621 -2.249 12.866 104 HB2 LEU 11 HB2 LEU 11 -4.974 -2.732 14.858 105 HB3 LEU 11 HB3 LEU 11 -5.009 -1.035 14.443 106 HG LEU 11 HG LEU 11 -7.318 -2.880 13.710 107 HD11 LEU 11 HD11 LEU 11 -7.021 -1.334 16.304 108 HD12 LEU 11 HD12 LEU 11 -7.005 -3.090 16.124 109 HD13 LEU 11 HD13 LEU 11 -8.474 -2.184 15.761 110 HD21 LEU 11 HD21 LEU 11 -7.300 -0.707 12.566 111 HD22 LEU 11 HD22 LEU 11 -7.198 0.133 14.115 112 HD23 LEU 11 HD23 LEU 11 -8.643 -0.799 13.706 113 H LEU 12 H LEU 12 -3.058 -4.086 11.891 114 HA LEU 12 HA LEU 12 -5.038 -6.230 11.390 115 HB2 LEU 12 HB2 LEU 12 -2.245 -5.725 10.322 116 HB3 LEU 12 HB3 LEU 12 -2.947 -7.328 10.232 117 HG LEU 12 HG LEU 12 -3.256 -6.233 8.102 118 HD11 LEU 12 HD11 LEU 12 -5.677 -6.397 7.816 119 HD12 LEU 12 HD12 LEU 12 -5.907 -6.334 9.567 120 HD13 LEU 12 HD13 LEU 12 -5.065 -7.702 8.835 121 HD21 LEU 12 HD21 LEU 12 -4.699 -3.982 9.538 122 HD22 LEU 12 HD22 LEU 12 -4.491 -4.153 7.792 123 HD23 LEU 12 HD23 LEU 12 -3.088 -3.889 8.820 124 H ASN 13 H ASN 13 -4.277 -8.480 11.895 125 HA ASN 13 HA ASN 13 -3.490 -8.498 14.722 126 HB2 ASN 13 HB2 ASN 13 -4.526 -10.755 14.782 127 HB3 ASN 13 HB3 ASN 13 -5.638 -9.529 14.188 128 HD21 ASN 13 HD21 ASN 13 -6.252 -9.569 12.019 129 HD22 ASN 13 HD22 ASN 13 -5.976 -10.938 11.009 130 H ALA 14 H ALA 14 -2.555 -10.851 15.322 131 HA ALA 14 HA ALA 14 0.165 -10.863 14.536 132 HB1 ALA 14 HB1 ALA 14 -1.363 -12.980 16.082 133 HB2 ALA 14 HB2 ALA 14 -0.593 -11.552 16.774 134 HB3 ALA 14 HB3 ALA 14 0.395 -12.805 16.021 135 H THR 15 H THR 15 -2.578 -12.785 13.384 136 HA THR 15 HA THR 15 -0.939 -14.635 11.836 137 HB THR 15 HB THR 15 -3.958 -14.171 11.703 138 HG1 THR 15 HG1 THR 15 -2.366 -15.509 13.510 139 HG21 THR 15 HG21 THR 15 -4.066 -16.424 10.699 140 HG22 THR 15 HG22 THR 15 -2.305 -16.530 10.712 141 HG23 THR 15 HG23 THR 15 -3.111 -15.337 9.689 142 H SER 16 H SER 16 -2.800 -11.668 11.239 143 HA SER 16 HA SER 16 -2.324 -11.628 8.371 144 HB2 SER 16 HB2 SER 16 -3.457 -9.476 10.225 145 HB3 SER 16 HB3 SER 16 -3.416 -9.377 8.462 146 HG SER 16 HG SER 16 -4.576 -11.627 8.869 147 H LYS 17 H LYS 17 -0.042 -11.787 8.302 148 HA LYS 17 HA LYS 17 1.595 -9.828 9.746 149 HB2 LYS 17 HB2 LYS 17 2.407 -12.315 8.191 150 HB3 LYS 17 HB3 LYS 17 3.487 -11.306 9.155 151 HG2 LYS 17 HG2 LYS 17 2.071 -11.867 11.172 152 HG3 LYS 17 HG3 LYS 17 1.184 -13.008 10.157 153 HD2 LYS 17 HD2 LYS 17 2.875 -14.204 11.427 154 HD3 LYS 17 HD3 LYS 17 3.308 -14.230 9.717 155 HE2 LYS 17 HE2 LYS 17 4.932 -12.399 10.100 156 HE3 LYS 17 HE3 LYS 17 4.498 -12.357 11.809 157 HZ1 LYS 17 HZ1 LYS 17 5.676 -14.689 10.404 158 HZ2 LYS 17 HZ2 LYS 17 5.353 -14.573 12.061 159 HZ3 LYS 17 HZ3 LYS 17 6.539 -13.594 11.356 160 H ASN 18 H ASN 18 3.868 -9.770 8.186 161 HA ASN 18 HA ASN 18 3.444 -7.524 6.601 162 HB2 ASN 18 HB2 ASN 18 5.824 -7.808 5.886 163 HB3 ASN 18 HB3 ASN 18 5.586 -7.908 7.624 164 HD21 ASN 18 HD21 ASN 18 7.786 -8.920 5.988 165 HD22 ASN 18 HD22 ASN 18 7.876 -10.616 6.291 166 H ILE 19 H ILE 19 3.310 -10.867 5.596 167 HA ILE 19 HA ILE 19 3.989 -10.720 2.891 168 HB ILE 19 HB ILE 19 1.947 -12.639 4.120 169 HG12 ILE 19 HG12 ILE 19 4.056 -14.265 3.925 170 HG13 ILE 19 HG13 ILE 19 4.984 -12.772 3.944 171 HG21 ILE 19 HG21 ILE 19 3.466 -12.881 1.496 172 HG22 ILE 19 HG22 ILE 19 1.734 -12.598 1.681 173 HG23 ILE 19 HG23 ILE 19 2.434 -14.130 2.201 174 HD11 ILE 19 HD11 ILE 19 3.102 -13.721 6.100 175 HD12 ILE 19 HD12 ILE 19 4.059 -12.236 6.138 176 HD13 ILE 19 HD13 ILE 19 4.863 -13.804 6.129 177 H LEU 20 H LEU 20 1.017 -9.691 4.448 178 HA LEU 20 HA LEU 20 -0.992 -9.715 2.592 179 HB2 LEU 20 HB2 LEU 20 -0.253 -7.417 4.441 180 HB3 LEU 20 HB3 LEU 20 -1.813 -7.569 3.642 181 HG LEU 20 HG LEU 20 -0.740 -9.574 5.664 182 HD11 LEU 20 HD11 LEU 20 -2.278 -8.554 7.284 183 HD12 LEU 20 HD12 LEU 20 -2.692 -7.297 6.117 184 HD13 LEU 20 HD13 LEU 20 -1.043 -7.411 6.749 185 HD21 LEU 20 HD21 LEU 20 -3.053 -10.408 5.754 186 HD22 LEU 20 HD22 LEU 20 -2.388 -10.555 4.130 187 HD23 LEU 20 HD23 LEU 20 -3.532 -9.261 4.499 188 H TRP 21 H TRP 21 1.087 -6.807 2.973 189 HA TRP 21 HA TRP 21 0.586 -6.043 0.174 190 HB2 TRP 21 HB2 TRP 21 1.604 -4.468 2.550 191 HB3 TRP 21 HB3 TRP 21 1.673 -3.840 0.911 192 HD1 TRP 21 HD1 TRP 21 -0.951 -4.847 3.589 193 HE1 TRP 21 HE1 TRP 21 -3.094 -3.508 3.110 194 HE3 TRP 21 HE3 TRP 21 0.395 -2.702 -0.853 195 HZ2 TRP 21 HZ2 TRP 21 -4.097 -1.787 1.111 196 HZ3 TRP 21 HZ3 TRP 21 -1.210 -1.218 -1.990 197 HH2 TRP 21 HH2 TRP 21 -3.410 -0.768 -1.029 198 H SER 22 H SER 22 3.194 -7.248 2.225 199 HA SER 22 HA SER 22 5.401 -6.318 0.693 200 HB2 SER 22 HB2 SER 22 5.645 -7.331 2.962 201 HB3 SER 22 HB3 SER 22 5.284 -8.914 2.283 202 HG SER 22 HG SER 22 7.611 -7.488 2.259 203 H ALA 23 H ALA 23 3.055 -8.708 -0.029 204 HA ALA 23 HA ALA 23 4.315 -10.344 -1.950 205 HB1 ALA 23 HB1 ALA 23 2.030 -10.841 -2.699 206 HB2 ALA 23 HB2 ALA 23 1.427 -9.439 -1.811 207 HB3 ALA 23 HB3 ALA 23 2.116 -10.805 -0.935 208 H ILE 24 H ILE 24 3.355 -6.984 -2.183 209 HA ILE 24 HA ILE 24 2.909 -6.837 -5.004 210 HB ILE 24 HB ILE 24 2.911 -4.406 -4.791 211 HG12 ILE 24 HG12 ILE 24 4.182 -4.848 -2.058 212 HG13 ILE 24 HG13 ILE 24 4.843 -3.939 -3.409 213 HG21 ILE 24 HG21 ILE 24 1.142 -4.120 -3.096 214 HG22 ILE 24 HG22 ILE 24 1.565 -5.673 -2.374 215 HG23 ILE 24 HG23 ILE 24 0.908 -5.611 -4.012 216 HD11 ILE 24 HD11 ILE 24 4.116 -2.424 -1.717 217 HD12 ILE 24 HD12 ILE 24 2.528 -3.177 -1.633 218 HD13 ILE 24 HD13 ILE 24 3.001 -2.272 -3.077 219 H SER 25 H SER 25 5.806 -6.961 -3.137 220 HA SER 25 HA SER 25 7.646 -5.714 -4.941 221 HB2 SER 25 HB2 SER 25 9.396 -6.776 -3.597 222 HB3 SER 25 HB3 SER 25 8.131 -6.196 -2.515 223 HG SER 25 HG SER 25 7.883 -8.166 -1.856 224 H THR 26 H THR 26 6.644 -9.095 -4.423 225 HA THR 26 HA THR 26 8.202 -10.133 -6.639 226 HB THR 26 HB THR 26 7.066 -12.311 -6.143 227 HG1 THR 26 HG1 THR 26 5.308 -10.736 -4.853 228 HG21 THR 26 HG21 THR 26 9.146 -11.762 -4.980 229 HG22 THR 26 HG22 THR 26 8.071 -12.671 -3.914 230 HG23 THR 26 HG23 THR 26 8.246 -10.925 -3.711 231 HA PRO 27 HA PRO 27 5.124 -9.770 -9.972 232 HB2 PRO 27 HB2 PRO 27 5.712 -12.258 -11.185 233 HB3 PRO 27 HB3 PRO 27 6.529 -10.728 -11.536 234 HG2 PRO 27 HG2 PRO 27 7.353 -12.929 -9.631 235 HG3 PRO 27 HG3 PRO 27 8.353 -12.005 -10.780 236 HD2 PRO 27 HD2 PRO 27 8.409 -11.406 -8.201 237 HD3 PRO 27 HD3 PRO 27 8.358 -10.087 -9.391 238 H THR 28 H THR 28 5.449 -13.143 -8.747 239 HA THR 28 HA THR 28 2.877 -14.050 -9.252 240 HB THR 28 HB THR 28 3.369 -15.861 -7.589 241 HG1 THR 28 HG1 THR 28 5.526 -15.693 -6.577 242 HG21 THR 28 HG21 THR 28 5.416 -16.741 -8.665 243 HG22 THR 28 HG22 THR 28 5.749 -15.151 -9.356 244 HG23 THR 28 HG23 THR 28 4.321 -16.054 -9.867 245 H GLY 29 H GLY 29 4.083 -12.577 -6.219 246 HA2 GLY 29 HA2 GLY 29 1.698 -12.924 -4.680 247 HA3 GLY 29 HA3 GLY 29 3.021 -11.830 -4.316 248 H LEU 30 H LEU 30 2.902 -10.247 -6.655 249 HA LEU 30 HA LEU 30 0.837 -8.371 -6.101 250 HB2 LEU 30 HB2 LEU 30 3.116 -7.917 -7.125 251 HB3 LEU 30 HB3 LEU 30 2.514 -8.608 -8.618 252 HG LEU 30 HG LEU 30 0.875 -6.792 -8.847 253 HD11 LEU 30 HD11 LEU 30 0.457 -6.318 -6.472 254 HD12 LEU 30 HD12 LEU 30 0.872 -4.858 -7.363 255 HD13 LEU 30 HD13 LEU 30 2.074 -5.623 -6.324 256 HD21 LEU 30 HD21 LEU 30 2.456 -4.967 -9.312 257 HD22 LEU 30 HD22 LEU 30 3.091 -6.516 -9.858 258 HD23 LEU 30 HD23 LEU 30 3.701 -5.789 -8.367 259 H GLU 31 H GLU 31 1.219 -10.838 -8.653 260 HA GLU 31 HA GLU 31 -1.093 -10.266 -10.207 261 HB2 GLU 31 HB2 GLU 31 0.538 -12.825 -9.935 262 HB3 GLU 31 HB3 GLU 31 -0.724 -12.595 -11.148 263 HG2 GLU 31 HG2 GLU 31 0.518 -10.796 -12.179 264 HG3 GLU 31 HG3 GLU 31 1.723 -10.841 -10.895 265 H ASP 32 H ASP 32 -0.866 -11.721 -7.129 266 HA ASP 32 HA ASP 32 -3.096 -13.454 -7.128 267 HB2 ASP 32 HB2 ASP 32 -1.369 -13.409 -5.347 268 HB3 ASP 32 HB3 ASP 32 -1.894 -11.803 -4.862 269 H TRP 33 H TRP 33 -2.837 -9.921 -6.768 270 HA TRP 33 HA TRP 33 -5.757 -9.594 -6.717 271 HB2 TRP 33 HB2 TRP 33 -5.738 -8.320 -4.605 272 HB3 TRP 33 HB3 TRP 33 -5.150 -9.958 -4.350 273 HD1 TRP 33 HD1 TRP 33 -2.167 -9.977 -4.581 274 HE1 TRP 33 HE1 TRP 33 -0.604 -8.431 -3.247 275 HE3 TRP 33 HE3 TRP 33 -5.498 -6.273 -3.411 276 HZ2 TRP 33 HZ2 TRP 33 -0.764 -5.978 -1.857 277 HZ3 TRP 33 HZ3 TRP 33 -4.716 -4.362 -2.064 278 HH2 TRP 33 HH2 TRP 33 -2.397 -4.224 -1.305 279 H PHE 34 H PHE 34 -3.128 -8.632 -8.235 280 HA PHE 34 HA PHE 34 -4.146 -5.904 -8.759 281 HB2 PHE 34 HB2 PHE 34 -2.126 -5.849 -7.141 282 HB3 PHE 34 HB3 PHE 34 -1.164 -6.476 -8.459 283 HD1 PHE 34 HD2 PHE 34 -3.014 -3.518 -7.224 284 HD2 PHE 34 HD1 PHE 34 -0.504 -5.024 -10.348 285 HE1 PHE 34 HE2 PHE 34 -2.612 -1.228 -8.018 286 HE2 PHE 34 HE1 PHE 34 -0.105 -2.722 -11.125 287 HZ PHE 34 HZ PHE 34 -1.163 -0.826 -9.967 288 H ALA 35 H ALA 35 -4.302 -5.530 -10.904 289 HA ALA 35 HA ALA 35 -4.274 -5.756 -13.148 290 HB1 ALA 35 HB1 ALA 35 -1.894 -5.135 -12.903 291 HB2 ALA 35 HB2 ALA 35 -2.136 -6.235 -14.263 292 HB3 ALA 35 HB3 ALA 35 -1.462 -6.842 -12.748 293 H ASP 36 H ASP 36 -3.614 -7.527 -15.007 294 HA ASP 36 HA ASP 36 -4.895 -10.066 -14.282 295 HB2 ASP 36 HB2 ASP 36 -4.004 -8.861 -16.938 296 HB3 ASP 36 HB3 ASP 36 -4.660 -10.495 -16.801 297 H LYS 37 H LYS 37 -1.819 -8.944 -15.700 298 HA LYS 37 HA LYS 37 -0.336 -11.134 -14.464 299 HB2 LYS 37 HB2 LYS 37 -1.166 -11.959 -16.748 300 HB3 LYS 37 HB3 LYS 37 -0.187 -10.713 -17.497 301 HG2 LYS 37 HG2 LYS 37 1.037 -12.800 -15.673 302 HG3 LYS 37 HG3 LYS 37 0.724 -13.142 -17.368 303 HD2 LYS 37 HD2 LYS 37 2.266 -11.417 -18.084 304 HD3 LYS 37 HD3 LYS 37 2.444 -10.812 -16.437 305 HE2 LYS 37 HE2 LYS 37 3.331 -13.570 -17.354 306 HE3 LYS 37 HE3 LYS 37 4.392 -12.169 -17.197 307 HZ1 LYS 37 HZ1 LYS 37 2.831 -13.372 -14.969 308 HZ2 LYS 37 HZ2 LYS 37 3.929 -12.095 -14.848 309 HZ3 LYS 37 HZ3 LYS 37 4.476 -13.641 -15.261 310 H VAL 38 H VAL 38 1.545 -10.242 -13.679 311 HA VAL 38 HA VAL 38 2.529 -7.732 -14.925 312 HB VAL 38 HB VAL 38 3.427 -6.959 -12.865 313 HG11 VAL 38 HG11 VAL 38 1.463 -6.807 -11.376 314 HG12 VAL 38 HG12 VAL 38 0.697 -8.145 -12.236 315 HG13 VAL 38 HG13 VAL 38 1.003 -6.618 -13.071 316 HG21 VAL 38 HG21 VAL 38 2.812 -9.636 -11.575 317 HG22 VAL 38 HG22 VAL 38 3.418 -8.213 -10.730 318 HG23 VAL 38 HG23 VAL 38 4.408 -8.999 -11.957 319 H VAL 39 H VAL 39 4.435 -7.726 -15.833 320 HA VAL 39 HA VAL 39 6.194 -10.068 -15.776 321 HB VAL 39 HB VAL 39 6.346 -7.582 -17.550 322 HG11 VAL 39 HG11 VAL 39 7.658 -10.315 -17.900 323 HG12 VAL 39 HG12 VAL 39 8.485 -8.815 -17.469 324 HG13 VAL 39 HG13 VAL 39 7.739 -8.984 -19.060 325 HG21 VAL 39 HG21 VAL 39 4.178 -8.709 -17.888 326 HG22 VAL 39 HG22 VAL 39 5.002 -10.245 -18.170 327 HG23 VAL 39 HG23 VAL 39 5.211 -8.911 -19.308 328 H SER 40 H SER 40 8.366 -9.954 -15.110 329 HA SER 40 HA SER 40 9.115 -7.592 -13.482 330 HB2 SER 40 HB2 SER 40 10.612 -9.219 -12.265 331 HB3 SER 40 HB3 SER 40 8.893 -9.595 -12.141 332 HG SER 40 HG SER 40 10.329 -11.402 -12.638 333 H ASP 41 H ASP 41 10.768 -6.419 -14.048 334 HA ASP 41 HA ASP 41 12.885 -7.314 -15.930 335 HB2 ASP 41 HB2 ASP 41 11.301 -5.669 -16.933 336 HB3 ASP 41 HB3 ASP 41 11.599 -4.549 -15.615 337 H ASP 42 H ASP 42 12.863 -7.647 -13.083 338 HA ASP 42 HA ASP 42 14.032 -7.412 -11.177 339 HB2 ASP 42 HB2 ASP 42 15.985 -7.698 -12.736 340 HB3 ASP 42 HB3 ASP 42 16.110 -5.950 -12.869 341 H LYS 43 H LYS 43 15.081 -4.320 -12.565 342 HA LYS 43 HA LYS 43 14.443 -2.772 -10.238 343 HB2 LYS 43 HB2 LYS 43 15.224 -0.848 -11.622 344 HB3 LYS 43 HB3 LYS 43 16.358 -2.195 -11.663 345 HG2 LYS 43 HG2 LYS 43 15.707 -2.808 -13.891 346 HG3 LYS 43 HG3 LYS 43 14.297 -1.749 -13.849 347 HD2 LYS 43 HD2 LYS 43 15.779 0.230 -13.836 348 HD3 LYS 43 HD3 LYS 43 17.198 -0.826 -13.848 349 HE2 LYS 43 HE2 LYS 43 16.612 0.105 -16.108 350 HE3 LYS 43 HE3 LYS 43 16.635 -1.658 -16.058 351 HZ1 LYS 43 HZ1 LYS 43 14.265 -1.713 -16.000 352 HZ2 LYS 43 HZ2 LYS 43 14.723 -0.699 -17.271 353 HZ3 LYS 43 HZ3 LYS 43 14.157 -0.033 -15.822 354 H THR 44 H THR 44 12.730 -3.508 -13.217 355 HA THR 44 HA THR 44 10.615 -1.491 -12.627 356 HB THR 44 HB THR 44 11.392 -2.530 -15.404 357 HG1 THR 44 HG1 THR 44 11.993 -0.002 -14.212 358 HG21 THR 44 HG21 THR 44 10.013 -0.655 -16.246 359 HG22 THR 44 HG22 THR 44 9.583 -0.221 -14.590 360 HG23 THR 44 HG23 THR 44 9.040 -1.758 -15.267 361 H VAL 45 H VAL 45 8.450 -2.223 -12.728 362 HA VAL 45 HA VAL 45 7.936 -5.053 -13.504 363 HB VAL 45 HB VAL 45 6.392 -3.478 -11.373 364 HG11 VAL 45 HG11 VAL 45 4.995 -5.162 -12.528 365 HG12 VAL 45 HG12 VAL 45 5.313 -5.665 -10.868 366 HG13 VAL 45 HG13 VAL 45 6.201 -6.411 -12.198 367 HG21 VAL 45 HG21 VAL 45 7.442 -4.973 -9.700 368 HG22 VAL 45 HG22 VAL 45 8.658 -4.010 -10.543 369 HG23 VAL 45 HG23 VAL 45 8.428 -5.709 -10.968 370 H THR 46 H THR 46 6.742 -5.137 -15.348 371 HA THR 46 HA THR 46 5.041 -2.875 -16.179 372 HB THR 46 HB THR 46 5.734 -5.414 -17.739 373 HG1 THR 46 HG1 THR 46 7.581 -4.102 -17.318 374 HG21 THR 46 HG21 THR 46 3.678 -4.302 -18.570 375 HG22 THR 46 HG22 THR 46 5.005 -4.130 -19.723 376 HG23 THR 46 HG23 THR 46 4.555 -2.771 -18.689 377 H PHE 47 H PHE 47 2.979 -2.939 -15.427 378 HA PHE 47 HA PHE 47 1.621 -5.418 -14.710 379 HB2 PHE 47 HB2 PHE 47 0.312 -2.678 -14.686 380 HB3 PHE 47 HB3 PHE 47 -0.016 -4.061 -13.652 381 HD1 PHE 47 HD1 PHE 47 2.121 -4.788 -12.157 382 HD2 PHE 47 HD2 PHE 47 1.401 -0.882 -13.722 383 HE1 PHE 47 HE1 PHE 47 3.521 -3.818 -10.394 384 HE2 PHE 47 HE2 PHE 47 2.808 0.076 -11.953 385 HZ PHE 47 HZ PHE 47 3.874 -1.386 -10.285 386 H CYS 48 H CYS 48 0.600 -6.530 -16.314 387 HA CYS 48 HA CYS 48 -0.564 -5.115 -18.630 388 HB2 CYS 48 HB2 CYS 48 0.920 -7.029 -19.142 389 HB3 CYS 48 HB3 CYS 48 -0.132 -8.108 -18.229 390 HG CYS 48 HG CYS 48 -2.347 -7.547 -19.988 391 H TRP 49 H TRP 49 -2.681 -5.076 -19.051 392 HA TRP 49 HA TRP 49 -4.596 -6.520 -17.327 393 HB2 TRP 49 HB2 TRP 49 -4.692 -3.700 -18.446 394 HB3 TRP 49 HB3 TRP 49 -6.176 -4.540 -18.012 395 HD1 TRP 49 HD1 TRP 49 -6.563 -5.090 -15.382 396 HE1 TRP 49 HE1 TRP 49 -5.669 -3.947 -13.269 397 HE3 TRP 49 HE3 TRP 49 -2.633 -2.515 -17.423 398 HZ2 TRP 49 HZ2 TRP 49 -3.586 -2.207 -12.536 399 HZ3 TRP 49 HZ3 TRP 49 -1.237 -1.135 -15.938 400 HH2 TRP 49 HH2 TRP 49 -1.704 -0.980 -13.543 401 H GLY 50 H GLY 50 -6.727 -6.886 -18.349 402 HA2 GLY 50 HA2 GLY 50 -6.451 -8.737 -20.396 403 HA3 GLY 50 HA3 GLY 50 -7.970 -8.092 -19.821 404 H LYS 51 H LYS 51 -7.615 -5.365 -20.714 405 HA LYS 51 HA LYS 51 -8.342 -5.704 -23.528 406 HB2 LYS 51 HB2 LYS 51 -9.542 -4.203 -21.756 407 HB3 LYS 51 HB3 LYS 51 -8.231 -3.061 -22.024 408 HG2 LYS 51 HG2 LYS 51 -8.912 -3.217 -24.546 409 HG3 LYS 51 HG3 LYS 51 -10.408 -3.940 -23.947 410 HD2 LYS 51 HD2 LYS 51 -10.820 -1.580 -24.219 411 HD3 LYS 51 HD3 LYS 51 -10.703 -1.880 -22.483 412 HE2 LYS 51 HE2 LYS 51 -8.287 -1.140 -22.600 413 HE3 LYS 51 HE3 LYS 51 -8.562 -0.671 -24.278 414 HZ1 LYS 51 HZ1 LYS 51 -9.980 0.419 -21.913 415 HZ2 LYS 51 HZ2 LYS 51 -10.226 0.895 -23.520 416 HZ3 LYS 51 HZ3 LYS 51 -8.743 1.187 -22.769 417 H THR 52 H THR 52 -5.549 -6.183 -22.991 418 HA THR 52 HA THR 52 -3.391 -5.625 -23.342 419 HB THR 52 HB THR 52 -2.826 -4.751 -25.623 420 HG1 THR 52 HG1 THR 52 -5.026 -3.501 -25.593 421 HG21 THR 52 HG21 THR 52 -3.274 -7.171 -25.313 422 HG22 THR 52 HG22 THR 52 -3.812 -6.630 -26.904 423 HG23 THR 52 HG23 THR 52 -4.992 -6.892 -25.619 424 H GLU 53 H GLU 53 -3.354 -4.236 -21.487 425 HA GLU 53 HA GLU 53 -2.739 -1.421 -22.064 426 HB2 GLU 53 HB2 GLU 53 -4.611 -2.316 -19.822 427 HB3 GLU 53 HB3 GLU 53 -3.998 -0.676 -20.029 428 HG2 GLU 53 HG2 GLU 53 -5.181 -0.607 -22.257 429 HG3 GLU 53 HG3 GLU 53 -5.894 -2.171 -21.870 430 H GLN 54 H GLN 54 -0.742 -1.112 -21.310 431 HA GLN 54 HA GLN 54 0.246 -2.660 -18.989 432 HB2 GLN 54 HB2 GLN 54 1.427 -2.387 -21.763 433 HB3 GLN 54 HB3 GLN 54 2.484 -2.716 -20.386 434 HG2 GLN 54 HG2 GLN 54 1.231 -4.737 -19.885 435 HG3 GLN 54 HG3 GLN 54 0.117 -4.411 -21.211 436 HE21 GLN 54 HE21 GLN 54 1.807 -6.753 -20.779 437 HE22 GLN 54 HE22 GLN 54 2.817 -6.886 -22.169 438 H ARG 55 H ARG 55 1.061 -1.422 -17.446 439 HA ARG 55 HA ARG 55 2.459 1.070 -18.189 440 HB2 ARG 55 HB2 ARG 55 0.791 0.583 -15.679 441 HB3 ARG 55 HB3 ARG 55 1.864 1.959 -15.890 442 HG2 ARG 55 HG2 ARG 55 -0.118 2.941 -16.484 443 HG3 ARG 55 HG3 ARG 55 0.414 2.379 -18.065 444 HD2 ARG 55 HD2 ARG 55 -1.073 0.437 -17.899 445 HD3 ARG 55 HD3 ARG 55 -1.548 0.905 -16.267 446 HE ARG 55 HE ARG 55 -2.637 1.866 -18.692 447 HH11 ARG 55 HH11 ARG 55 -1.818 3.046 -15.527 448 HH12 ARG 55 HH12 ARG 55 -2.988 4.310 -15.610 449 HH21 ARG 55 HH21 ARG 55 -4.111 3.487 -18.734 450 HH22 ARG 55 HH22 ARG 55 -4.261 4.553 -17.384 451 H GLN 56 H GLN 56 4.511 1.241 -17.514 452 HA GLN 56 HA GLN 56 5.689 -0.902 -15.880 453 HB2 GLN 56 HB2 GLN 56 7.009 1.356 -17.455 454 HB3 GLN 56 HB3 GLN 56 7.857 0.052 -16.625 455 HG2 GLN 56 HG2 GLN 56 6.629 -1.575 -18.110 456 HG3 GLN 56 HG3 GLN 56 6.030 -0.198 -19.029 457 HE21 GLN 56 HE21 GLN 56 7.779 -2.444 -19.835 458 HE22 GLN 56 HE22 GLN 56 9.206 -1.708 -20.478 459 H ALA 57 H ALA 57 6.652 -0.561 -13.890 460 HA ALA 57 HA ALA 57 6.893 2.158 -12.776 461 HB1 ALA 57 HB1 ALA 57 5.416 -0.076 -11.332 462 HB2 ALA 57 HB2 ALA 57 4.668 1.354 -12.051 463 HB3 ALA 57 HB3 ALA 57 5.772 1.530 -10.686 464 H GLY 58 H GLY 58 8.896 2.374 -12.008 465 HA2 GLY 58 HA2 GLY 58 10.586 0.085 -11.379 466 HA3 GLY 58 HA3 GLY 58 11.060 1.772 -11.437 467 H ILE 59 H ILE 59 11.341 -0.511 -9.388 468 HA ILE 59 HA ILE 59 10.098 0.439 -6.982 469 HB ILE 59 HB ILE 59 12.573 -1.351 -7.259 470 HG12 ILE 59 HG12 ILE 59 10.888 -3.189 -6.487 471 HG13 ILE 59 HG13 ILE 59 9.620 -2.052 -6.920 472 HG21 ILE 59 HG21 ILE 59 12.215 -1.956 -4.873 473 HG22 ILE 59 HG22 ILE 59 10.902 -0.781 -4.773 474 HG23 ILE 59 HG23 ILE 59 12.553 -0.231 -5.068 475 HD11 ILE 59 HD11 ILE 59 11.678 -3.219 -8.801 476 HD12 ILE 59 HD12 ILE 59 10.385 -2.099 -9.244 477 HD13 ILE 59 HD13 ILE 59 9.989 -3.710 -8.649 478 H VAL 60 H VAL 60 10.700 2.193 -5.793 479 HA VAL 60 HA VAL 60 13.081 3.719 -6.541 480 HB VAL 60 HB VAL 60 10.932 4.407 -4.486 481 HG11 VAL 60 HG11 VAL 60 12.997 5.688 -4.115 482 HG12 VAL 60 HG12 VAL 60 11.724 6.747 -4.720 483 HG13 VAL 60 HG13 VAL 60 13.006 6.203 -5.804 484 HG21 VAL 60 HG21 VAL 60 9.903 4.148 -6.701 485 HG22 VAL 60 HG22 VAL 60 11.091 5.248 -7.405 486 HG23 VAL 60 HG23 VAL 60 9.920 5.850 -6.230 487 H ALA 61 H ALA 61 11.695 2.245 -3.598 488 HA ALA 61 HA ALA 61 14.300 1.511 -2.564 489 HB1 ALA 61 HB1 ALA 61 14.081 2.706 -0.417 490 HB2 ALA 61 HB2 ALA 61 12.602 3.485 -0.987 491 HB3 ALA 61 HB3 ALA 61 14.144 3.844 -1.763 492 H ILE 62 H ILE 62 14.169 -0.103 -0.982 493 HA ILE 62 HA ILE 62 11.690 -0.894 0.276 494 HB ILE 62 HB ILE 62 11.320 -1.963 -1.915 495 HG12 ILE 62 HG12 ILE 62 12.030 -4.009 0.249 496 HG13 ILE 62 HG13 ILE 62 10.485 -3.193 0.054 497 HG21 ILE 62 HG21 ILE 62 13.644 -2.119 -2.692 498 HG22 ILE 62 HG22 ILE 62 12.824 -3.671 -2.851 499 HG23 ILE 62 HG23 ILE 62 13.967 -3.410 -1.531 500 HD11 ILE 62 HD11 ILE 62 11.691 -5.215 -1.828 501 HD12 ILE 62 HD12 ILE 62 10.158 -4.375 -2.077 502 HD13 ILE 62 HD13 ILE 62 10.354 -5.469 -0.709 503 H ARG 63 H ARG 63 12.025 -2.344 2.012 504 HA ARG 63 HA ARG 63 14.568 -3.659 2.468 505 HB2 ARG 63 HB2 ARG 63 15.116 -1.384 3.274 506 HB3 ARG 63 HB3 ARG 63 13.719 -1.403 4.344 507 HG2 ARG 63 HG2 ARG 63 14.722 -3.251 5.636 508 HG3 ARG 63 HG3 ARG 63 16.120 -3.257 4.555 509 HD2 ARG 63 HD2 ARG 63 15.263 -0.936 6.321 510 HD3 ARG 63 HD3 ARG 63 16.568 -2.069 6.687 511 HE ARG 63 HE ARG 63 16.565 -0.088 4.486 512 HH11 ARG 63 HH11 ARG 63 18.354 -2.189 6.570 513 HH12 ARG 63 HH12 ARG 63 19.873 -1.509 6.113 514 HH21 ARG 63 HH21 ARG 63 18.514 0.747 3.916 515 HH22 ARG 63 HH22 ARG 63 19.962 0.137 4.636 516 H ALA 64 H ALA 64 13.618 -5.589 2.785 517 HA ALA 64 HA ALA 64 12.428 -7.314 3.596 518 HB1 ALA 64 HB1 ALA 64 12.275 -7.517 6.035 519 HB2 ALA 64 HB2 ALA 64 12.583 -5.789 6.210 520 HB3 ALA 64 HB3 ALA 64 13.840 -6.843 5.562 521 H TYR 65 H TYR 65 10.862 -4.951 5.744 522 HA TYR 65 HA TYR 65 8.321 -5.020 4.297 523 HB2 TYR 65 HB2 TYR 65 7.025 -5.966 6.053 524 HB3 TYR 65 HB3 TYR 65 8.408 -7.034 5.892 525 HD1 TYR 65 HD2 TYR 65 10.522 -5.978 7.548 526 HD2 TYR 65 HD1 TYR 65 6.316 -5.794 8.252 527 HE1 TYR 65 HE2 TYR 65 10.930 -5.736 9.965 528 HE2 TYR 65 HE1 TYR 65 6.712 -5.546 10.637 529 HH TYR 65 HH TYR 65 9.779 -4.888 11.972 530 H SER 66 H SER 66 10.599 -3.395 6.083 531 HA SER 66 HA SER 66 9.139 -1.620 7.747 532 HB2 SER 66 HB2 SER 66 11.937 -1.286 6.565 533 HB3 SER 66 HB3 SER 66 11.276 -0.375 7.925 534 HG SER 66 HG SER 66 12.514 -2.052 8.725 535 H PHE 67 H PHE 67 9.605 -1.650 4.345 536 HA PHE 67 HA PHE 67 7.884 0.381 3.695 537 HB2 PHE 67 HB2 PHE 67 9.360 2.202 2.771 538 HB3 PHE 67 HB3 PHE 67 9.388 2.105 4.522 539 HD1 PHE 67 HD1 PHE 67 11.384 1.452 1.439 540 HD2 PHE 67 HD2 PHE 67 11.439 1.643 5.713 541 HE1 PHE 67 HE1 PHE 67 13.836 1.422 1.417 542 HE2 PHE 67 HE2 PHE 67 13.896 1.611 5.678 543 HZ PHE 67 HZ PHE 67 15.092 1.503 3.529 544 H ILE 68 H ILE 68 7.477 0.474 1.493 545 HA ILE 68 HA ILE 68 9.483 -0.386 -0.429 546 HB ILE 68 HB ILE 68 8.313 -2.507 0.053 547 HG12 ILE 68 HG12 ILE 68 7.593 -1.398 -2.706 548 HG13 ILE 68 HG13 ILE 68 9.136 -2.123 -2.261 549 HG21 ILE 68 HG21 ILE 68 6.161 -1.638 0.837 550 HG22 ILE 68 HG22 ILE 68 5.903 -2.817 -0.451 551 HG23 ILE 68 HG23 ILE 68 5.762 -1.090 -0.794 552 HD11 ILE 68 HD11 ILE 68 6.477 -3.527 -2.355 553 HD12 ILE 68 HD12 ILE 68 8.013 -4.262 -1.894 554 HD13 ILE 68 HD13 ILE 68 7.779 -3.655 -3.532 555 H ARG 69 H ARG 69 9.330 0.636 -2.364 556 HA ARG 69 HA ARG 69 7.133 2.593 -2.749 557 HB2 ARG 69 HB2 ARG 69 10.138 3.037 -2.971 558 HB3 ARG 69 HB3 ARG 69 8.962 4.143 -3.663 559 HG2 ARG 69 HG2 ARG 69 9.398 5.202 -1.671 560 HG3 ARG 69 HG3 ARG 69 8.013 4.224 -1.223 561 HD2 ARG 69 HD2 ARG 69 9.545 2.550 -0.213 562 HD3 ARG 69 HD3 ARG 69 10.912 3.595 -0.623 563 HE ARG 69 HE ARG 69 8.718 4.494 1.157 564 HH11 ARG 69 HH11 ARG 69 12.121 4.171 0.589 565 HH12 ARG 69 HH12 ARG 69 12.539 4.985 2.052 566 HH21 ARG 69 HH21 ARG 69 9.276 5.544 2.981 567 HH22 ARG 69 HH22 ARG 69 10.945 5.757 3.385 568 H PHE 70 H PHE 70 6.313 2.734 -4.758 569 HA PHE 70 HA PHE 70 7.882 1.803 -7.107 570 HB2 PHE 70 HB2 PHE 70 4.890 1.466 -6.596 571 HB3 PHE 70 HB3 PHE 70 5.602 1.312 -8.197 572 HD1 PHE 70 HD2 PHE 70 5.316 -0.257 -4.861 573 HD2 PHE 70 HD1 PHE 70 6.926 -0.648 -8.809 574 HE1 PHE 70 HE2 PHE 70 5.798 -2.627 -4.440 575 HE2 PHE 70 HE1 PHE 70 7.394 -3.024 -8.373 576 HZ PHE 70 HZ PHE 70 6.828 -4.014 -6.190 577 H HIS 71 H HIS 71 7.853 3.131 -8.888 578 HA HIS 71 HA HIS 71 6.093 5.506 -8.940 579 HB2 HIS 71 HB2 HIS 71 8.358 6.218 -8.131 580 HB3 HIS 71 HB3 HIS 71 9.080 5.572 -9.603 581 HD1 HIS 71 HD1 HIS 71 8.507 6.865 -11.849 582 HD2 HIS 71 HD2 HIS 71 7.211 8.732 -8.366 583 HE1 HIS 71 HE1 HIS 71 7.855 9.186 -12.535 584 HE2 HIS 71 HE2 HIS 71 7.344 10.359 -10.369 585 H TRP 72 H TRP 72 5.024 5.573 -10.817 586 HA TRP 72 HA TRP 72 5.495 3.636 -12.879 587 HB2 TRP 72 HB2 TRP 72 3.439 5.843 -12.547 588 HB3 TRP 72 HB3 TRP 72 3.506 4.845 -13.996 589 HD1 TRP 72 HD1 TRP 72 2.344 2.507 -13.892 590 HE1 TRP 72 HE1 TRP 72 1.068 1.210 -12.086 591 HE3 TRP 72 HE3 TRP 72 3.462 5.426 -9.820 592 HZ2 TRP 72 HZ2 TRP 72 0.606 1.362 -9.310 593 HZ3 TRP 72 HZ3 TRP 72 2.564 4.769 -7.619 594 HH2 TRP 72 HH2 TRP 72 1.164 2.776 -7.371 595 H LEU 73 H LEU 73 6.837 3.831 -14.505 596 HA LEU 73 HA LEU 73 7.998 6.195 -15.576 597 HB2 LEU 73 HB2 LEU 73 7.638 3.400 -16.750 598 HB3 LEU 73 HB3 LEU 73 8.494 4.673 -17.598 599 HG LEU 73 HG LEU 73 10.110 3.199 -16.622 600 HD11 LEU 73 HD11 LEU 73 10.037 5.736 -14.979 601 HD12 LEU 73 HD12 LEU 73 10.697 5.564 -16.607 602 HD13 LEU 73 HD13 LEU 73 11.448 4.710 -15.261 603 HD21 LEU 73 HD21 LEU 73 8.841 3.627 -13.907 604 HD22 LEU 73 HD22 LEU 73 10.298 2.687 -14.248 605 HD23 LEU 73 HD23 LEU 73 8.741 2.157 -14.880 606 H ASP 74 H ASP 74 5.102 4.336 -16.317 607 HA ASP 74 HA ASP 74 4.499 5.661 -18.810 608 HB2 ASP 74 HB2 ASP 74 4.003 3.222 -18.253 609 HB3 ASP 74 HB3 ASP 74 2.719 3.792 -17.194 610 H ASP 75 H ASP 75 2.739 5.482 -15.653 611 HA ASP 75 HA ASP 75 1.082 7.768 -16.233 612 HB2 ASP 75 HB2 ASP 75 1.567 6.326 -13.591 613 HB3 ASP 75 HB3 ASP 75 0.334 7.557 -13.856 614 H GLU 76 H GLU 76 2.688 9.315 -16.789 615 HA GLU 76 HA GLU 76 4.482 10.400 -14.764 616 HB2 GLU 76 HB2 GLU 76 5.166 11.971 -16.543 617 HB3 GLU 76 HB3 GLU 76 5.198 10.307 -17.118 618 HG2 GLU 76 HG2 GLU 76 3.027 10.665 -18.268 619 HG3 GLU 76 HG3 GLU 76 3.008 12.335 -17.700 620 H ASN 77 H ASN 77 1.251 10.952 -15.853 621 HA ASN 77 HA ASN 77 0.896 13.713 -15.316 622 HB2 ASN 77 HB2 ASN 77 -1.134 11.436 -15.332 623 HB3 ASN 77 HB3 ASN 77 -1.561 13.148 -15.292 624 HD21 ASN 77 HD21 ASN 77 -1.343 14.368 -17.148 625 HD22 ASN 77 HD22 ASN 77 -1.047 13.670 -18.697 626 H GLU 78 H GLU 78 0.495 14.827 -13.490 627 HA GLU 78 HA GLU 78 -0.084 15.468 -11.409 628 HB2 GLU 78 HB2 GLU 78 -1.127 12.636 -11.052 629 HB3 GLU 78 HB3 GLU 78 -1.372 13.936 -9.886 630 HG2 GLU 78 HG2 GLU 78 -2.785 15.148 -11.353 631 HG3 GLU 78 HG3 GLU 78 -2.253 14.239 -12.764 632 H ARG 79 H ARG 79 1.787 12.447 -11.578 633 HA ARG 79 HA ARG 79 3.875 11.973 -10.857 634 HB2 ARG 79 HB2 ARG 79 4.192 14.416 -11.581 635 HB3 ARG 79 HB3 ARG 79 4.054 14.842 -9.880 636 HG2 ARG 79 HG2 ARG 79 6.058 13.404 -9.422 637 HG3 ARG 79 HG3 ARG 79 6.213 13.139 -11.164 638 HD2 ARG 79 HD2 ARG 79 6.398 15.802 -9.708 639 HD3 ARG 79 HD3 ARG 79 7.732 14.905 -10.432 640 HE ARG 79 HE ARG 79 6.758 15.349 -12.616 641 HH11 ARG 79 HH11 ARG 79 5.507 17.339 -10.054 642 HH12 ARG 79 HH12 ARG 79 5.036 18.598 -11.141 643 HH21 ARG 79 HH21 ARG 79 6.133 16.976 -13.958 644 HH22 ARG 79 HH22 ARG 79 5.397 18.401 -13.312 645 H ASP 80 H ASP 80 1.755 11.286 -9.153 646 HA ASP 80 HA ASP 80 2.245 12.036 -6.430 647 HB2 ASP 80 HB2 ASP 80 0.614 9.721 -7.548 648 HB3 ASP 80 HB3 ASP 80 0.586 10.266 -5.870 649 H TYR 81 H TYR 81 2.646 10.424 -4.697 650 HA TYR 81 HA TYR 81 4.902 8.601 -5.357 651 HB2 TYR 81 HB2 TYR 81 5.801 10.639 -4.382 652 HB3 TYR 81 HB3 TYR 81 4.625 10.610 -3.075 653 HD1 TYR 81 HD1 TYR 81 7.431 8.514 -4.495 654 HD2 TYR 81 HD2 TYR 81 5.314 9.754 -0.989 655 HE1 TYR 81 HE1 TYR 81 9.059 7.328 -3.088 656 HE2 TYR 81 HE2 TYR 81 6.941 8.566 0.412 657 HH TYR 81 HH TYR 81 8.549 6.773 0.252 658 H PHE 82 H PHE 82 4.323 6.547 -4.899 659 HA PHE 82 HA PHE 82 2.447 6.005 -2.666 660 HB2 PHE 82 HB2 PHE 82 2.823 4.577 -5.322 661 HB3 PHE 82 HB3 PHE 82 1.978 3.827 -3.971 662 HD1 PHE 82 HD1 PHE 82 1.833 6.579 -6.456 663 HD2 PHE 82 HD2 PHE 82 -0.237 4.569 -3.284 664 HE1 PHE 82 HE1 PHE 82 -0.245 7.743 -7.067 665 HE2 PHE 82 HE2 PHE 82 -2.305 5.739 -3.917 666 HZ PHE 82 HZ PHE 82 -2.314 7.324 -5.800 667 H GLU 83 H GLU 83 3.512 5.352 -0.946 668 HA GLU 83 HA GLU 83 5.240 2.960 -1.183 669 HB2 GLU 83 HB2 GLU 83 6.445 3.663 0.867 670 HB3 GLU 83 HB3 GLU 83 6.677 4.787 -0.461 671 HG2 GLU 83 HG2 GLU 83 5.413 6.471 0.535 672 HG3 GLU 83 HG3 GLU 83 4.534 5.344 1.563 673 H ILE 84 H ILE 84 4.967 1.379 0.390 674 HA ILE 84 HA ILE 84 2.709 1.645 2.280 675 HB ILE 84 HB ILE 84 3.272 -0.837 0.579 676 HG12 ILE 84 HG12 ILE 84 0.702 -0.359 -0.027 677 HG13 ILE 84 HG13 ILE 84 1.103 1.286 0.430 678 HG21 ILE 84 HG21 ILE 84 2.633 -1.495 2.839 679 HG22 ILE 84 HG22 ILE 84 1.312 -1.840 1.721 680 HG23 ILE 84 HG23 ILE 84 1.220 -0.436 2.784 681 HD11 ILE 84 HD11 ILE 84 2.392 -0.332 -1.764 682 HD12 ILE 84 HD12 ILE 84 2.824 1.323 -1.320 683 HD13 ILE 84 HD13 ILE 84 1.216 0.970 -1.956 684 H LYS 85 H LYS 85 3.208 1.051 4.301 685 HA LYS 85 HA LYS 85 5.739 -0.361 4.899 686 HB2 LYS 85 HB2 LYS 85 5.847 2.087 5.269 687 HB3 LYS 85 HB3 LYS 85 4.394 2.046 6.246 688 HG2 LYS 85 HG2 LYS 85 6.876 0.550 7.120 689 HG3 LYS 85 HG3 LYS 85 6.738 2.290 7.379 690 HD2 LYS 85 HD2 LYS 85 4.621 1.877 8.671 691 HD3 LYS 85 HD3 LYS 85 4.881 0.145 8.480 692 HE2 LYS 85 HE2 LYS 85 5.675 0.740 10.656 693 HE3 LYS 85 HE3 LYS 85 7.106 0.448 9.662 694 HZ1 LYS 85 HZ1 LYS 85 5.951 3.119 10.237 695 HZ2 LYS 85 HZ2 LYS 85 7.392 2.796 9.403 696 HZ3 LYS 85 HZ3 LYS 85 7.269 2.442 11.047 697 H MET 86 H MET 86 5.665 -1.844 6.652 698 HA MET 86 HA MET 86 3.342 -1.818 8.445 699 HB2 MET 86 HB2 MET 86 3.319 -4.353 8.523 700 HB3 MET 86 HB3 MET 86 2.666 -3.655 7.053 701 HG2 MET 86 HG2 MET 86 5.549 -4.422 7.001 702 HG3 MET 86 HG3 MET 86 4.367 -5.726 7.034 703 HE1 MET 86 HE1 MET 86 2.613 -6.168 5.238 704 HE2 MET 86 HE2 MET 86 2.339 -5.169 3.814 705 HE3 MET 86 HE3 MET 86 1.944 -4.548 5.415 706 H SER 87 H SER 87 3.823 -2.670 10.521 707 HA SER 87 HA SER 87 6.640 -3.343 11.100 708 HB2 SER 87 HB2 SER 87 6.463 -0.962 11.646 709 HB3 SER 87 HB3 SER 87 5.018 -1.255 12.610 710 HG SER 87 HG SER 87 6.289 -1.650 14.209 711 H TYR 88 H TYR 88 6.953 -4.661 12.895 712 HA TYR 88 HA TYR 88 4.581 -6.142 13.818 713 HB2 TYR 88 HB2 TYR 88 6.416 -7.520 12.905 714 HB3 TYR 88 HB3 TYR 88 7.557 -6.811 14.050 715 HD1 TYR 88 HD1 TYR 88 4.341 -8.729 13.930 716 HD2 TYR 88 HD2 TYR 88 7.887 -7.916 16.173 717 HE1 TYR 88 HE1 TYR 88 3.695 -10.423 15.567 718 HE2 TYR 88 HE2 TYR 88 7.230 -9.626 17.815 719 HH TYR 88 HH TYR 88 4.690 -11.851 17.232 720 H ASN 89 H ASN 89 3.711 -5.376 15.661 721 HA ASN 89 HA ASN 89 5.239 -3.985 17.701 722 HB2 ASN 89 HB2 ASN 89 2.391 -5.070 17.919 723 HB3 ASN 89 HB3 ASN 89 3.140 -3.832 18.924 724 HD21 ASN 89 HD21 ASN 89 1.540 -4.501 15.945 725 HD22 ASN 89 HD22 ASN 89 1.393 -2.865 15.429 726 H GLU 90 H GLU 90 6.580 -5.156 18.994 727 HA GLU 90 HA GLU 90 6.282 -7.996 19.454 728 HB2 GLU 90 HB2 GLU 90 8.153 -5.999 20.801 729 HB3 GLU 90 HB3 GLU 90 8.300 -7.757 20.856 730 HG2 GLU 90 HG2 GLU 90 8.677 -7.792 18.410 731 HG3 GLU 90 HG3 GLU 90 8.551 -6.032 18.370 732 H LEU 91 H LEU 91 5.218 -5.125 21.066 733 HA LEU 91 HA LEU 91 4.797 -6.230 23.703 734 HB2 LEU 91 HB2 LEU 91 3.814 -3.645 22.422 735 HB3 LEU 91 HB3 LEU 91 3.648 -4.043 24.128 736 HG LEU 91 HG LEU 91 6.316 -3.693 22.689 737 HD11 LEU 91 HD11 LEU 91 4.888 -1.767 24.552 738 HD12 LEU 91 HD12 LEU 91 5.136 -1.555 22.818 739 HD13 LEU 91 HD13 LEU 91 6.520 -1.565 23.908 740 HD21 LEU 91 HD21 LEU 91 6.470 -5.237 24.594 741 HD22 LEU 91 HD22 LEU 91 5.713 -4.043 25.650 742 HD23 LEU 91 HD23 LEU 91 7.303 -3.724 24.953 743 H THR 92 H THR 92 2.899 -5.956 20.749 744 HA THR 92 HA THR 92 0.414 -6.761 22.172 745 HB THR 92 HB THR 92 -0.910 -5.801 20.437 746 HG1 THR 92 HG1 THR 92 -0.283 -5.857 18.445 747 HG21 THR 92 HG21 THR 92 0.081 -4.017 21.811 748 HG22 THR 92 HG22 THR 92 -0.104 -3.468 20.140 749 HG23 THR 92 HG23 THR 92 1.482 -3.957 20.738 750 H GLY 93 H GLY 93 2.657 -7.616 19.630 751 HA2 GLY 93 HA2 GLY 93 3.052 -9.749 18.723 752 HA3 GLY 93 HA3 GLY 93 1.473 -10.283 19.272 753 H ASP 94 H ASP 94 0.829 -7.415 17.880 754 HA ASP 94 HA ASP 94 -0.161 -8.710 15.420 755 HB2 ASP 94 HB2 ASP 94 -1.104 -6.121 16.731 756 HB3 ASP 94 HB3 ASP 94 -1.920 -7.026 15.459 757 H TYR 95 H TYR 95 -0.686 -6.757 13.690 758 HA TYR 95 HA TYR 95 1.887 -5.367 13.163 759 HB2 TYR 95 HB2 TYR 95 -0.030 -6.794 11.314 760 HB3 TYR 95 HB3 TYR 95 0.862 -5.417 10.675 761 HD1 TYR 95 HD1 TYR 95 1.483 -8.637 12.548 762 HD2 TYR 95 HD2 TYR 95 2.988 -5.750 9.779 763 HE1 TYR 95 HE1 TYR 95 3.480 -10.026 12.181 764 HE2 TYR 95 HE2 TYR 95 4.979 -7.131 9.414 765 HH TYR 95 HH TYR 95 6.257 -8.896 10.525 766 H VAL 96 H VAL 96 1.937 -3.227 12.951 767 HA VAL 96 HA VAL 96 -0.561 -1.710 12.509 768 HB VAL 96 HB VAL 96 0.681 -0.854 14.406 769 HG11 VAL 96 HG11 VAL 96 2.942 -1.662 13.881 770 HG12 VAL 96 HG12 VAL 96 2.967 0.060 14.273 771 HG13 VAL 96 HG13 VAL 96 3.085 -0.464 12.591 772 HG21 VAL 96 HG21 VAL 96 -0.490 0.809 13.010 773 HG22 VAL 96 HG22 VAL 96 0.970 1.052 12.047 774 HG23 VAL 96 HG23 VAL 96 0.950 1.518 13.749 775 H LEU 97 H LEU 97 -1.030 -1.287 10.514 776 HA LEU 97 HA LEU 97 0.949 -1.434 8.323 777 HB2 LEU 97 HB2 LEU 97 -1.123 -2.885 8.375 778 HB3 LEU 97 HB3 LEU 97 -2.101 -1.439 8.264 779 HG LEU 97 HG LEU 97 -1.116 -0.961 6.026 780 HD11 LEU 97 HD11 LEU 97 1.058 -2.072 6.305 781 HD12 LEU 97 HD12 LEU 97 0.225 -2.656 4.866 782 HD13 LEU 97 HD13 LEU 97 0.262 -3.649 6.327 783 HD21 LEU 97 HD21 LEU 97 -3.238 -2.169 6.174 784 HD22 LEU 97 HD22 LEU 97 -2.380 -3.708 6.297 785 HD23 LEU 97 HD23 LEU 97 -2.292 -2.760 4.807 786 H GLU 98 H GLU 98 1.492 0.395 7.203 787 HA GLU 98 HA GLU 98 -0.150 2.848 7.497 788 HB2 GLU 98 HB2 GLU 98 2.895 2.691 7.650 789 HB3 GLU 98 HB3 GLU 98 1.949 4.168 7.640 790 HG2 GLU 98 HG2 GLU 98 0.864 3.393 9.792 791 HG3 GLU 98 HG3 GLU 98 2.033 2.075 9.819 792 H ILE 99 H ILE 99 -0.976 3.058 5.457 793 HA ILE 99 HA ILE 99 0.720 2.862 3.060 794 HB ILE 99 HB ILE 99 -2.291 3.102 3.470 795 HG12 ILE 99 HG12 ILE 99 -2.360 1.121 1.915 796 HG13 ILE 99 HG13 ILE 99 -0.606 1.150 1.838 797 HG21 ILE 99 HG21 ILE 99 -1.853 4.770 1.732 798 HG22 ILE 99 HG22 ILE 99 -2.655 3.366 1.026 799 HG23 ILE 99 HG23 ILE 99 -0.919 3.595 0.800 800 HD11 ILE 99 HD11 ILE 99 -1.469 -0.589 3.304 801 HD12 ILE 99 HD12 ILE 99 -2.243 0.634 4.316 802 HD13 ILE 99 HD13 ILE 99 -0.481 0.576 4.185 803 H THR 100 H THR 100 1.457 4.644 1.975 804 HA THR 100 HA THR 100 0.535 7.340 2.814 805 HB THR 100 HB THR 100 3.150 6.556 1.472 806 HG1 THR 100 HG1 THR 100 3.902 6.346 3.440 807 HG21 THR 100 HG21 THR 100 3.851 8.885 1.926 808 HG22 THR 100 HG22 THR 100 2.235 9.253 2.529 809 HG23 THR 100 HG23 THR 100 2.466 8.833 0.829 810 H ASP 101 H ASP 101 -1.136 7.686 1.489 811 HA ASP 101 HA ASP 101 -0.879 7.416 -1.443 812 HB2 ASP 101 HB2 ASP 101 -2.843 6.370 -0.210 813 HB3 ASP 101 HB3 ASP 101 -3.337 7.977 0.296 814 H PHE 102 H PHE 102 -1.307 9.309 -2.762 815 HA PHE 102 HA PHE 102 -1.317 11.918 -1.335 816 HB2 PHE 102 HB2 PHE 102 0.193 11.056 -3.821 817 HB3 PHE 102 HB3 PHE 102 -0.267 12.744 -3.633 818 HD1 PHE 102 HD2 PHE 102 1.554 9.987 -1.863 819 HD2 PHE 102 HD1 PHE 102 1.096 14.209 -2.356 820 HE1 PHE 102 HE2 PHE 102 3.504 10.372 -0.425 821 HE2 PHE 102 HE1 PHE 102 3.046 14.579 -0.906 822 HZ PHE 102 HZ PHE 102 4.252 12.665 0.062 823 H SER 103 H SER 103 -3.127 12.930 -1.496 824 HA SER 103 HA SER 103 -4.659 13.105 -4.010 825 HB2 SER 103 HB2 SER 103 -5.867 12.457 -1.270 826 HB3 SER 103 HB3 SER 103 -6.797 12.831 -2.723 827 HG SER 103 HG SER 103 -5.099 10.597 -2.281 828 H GLU 104 H GLU 104 -5.904 15.058 -4.146 829 HA GLU 104 HA GLU 104 -4.889 17.379 -2.966 830 HB2 GLU 104 HB2 GLU 104 -7.625 16.885 -4.223 831 HB3 GLU 104 HB3 GLU 104 -7.007 18.480 -3.820 832 HG2 GLU 104 HG2 GLU 104 -5.756 16.577 -5.830 833 HG3 GLU 104 HG3 GLU 104 -6.808 17.933 -6.230 834 H ALA 105 H ALA 105 -5.708 18.754 -1.233 835 HA ALA 105 HA ALA 105 -7.046 17.662 0.982 836 HB1 ALA 105 HB1 ALA 105 -6.930 20.587 0.180 837 HB2 ALA 105 HB2 ALA 105 -5.705 19.726 1.117 838 HB3 ALA 105 HB3 ALA 105 -7.321 19.968 1.787 839 H ASP 106 H ASP 106 -8.303 19.116 -1.932 840 HA ASP 106 HA ASP 106 -11.048 19.397 -1.282 841 HB2 ASP 106 HB2 ASP 106 -9.770 20.392 -3.251 842 HB3 ASP 106 HB3 ASP 106 -9.848 18.812 -4.019 843 H GLU 107 H GLU 107 -9.151 16.596 -1.983 844 HA GLU 107 HA GLU 107 -11.478 14.820 -2.482 845 HB2 GLU 107 HB2 GLU 107 -8.474 14.344 -2.814 846 HB3 GLU 107 HB3 GLU 107 -9.729 13.161 -3.191 847 HG2 GLU 107 HG2 GLU 107 -9.460 15.864 -4.553 848 HG3 GLU 107 HG3 GLU 107 -8.771 14.368 -5.177 849 H ALA 108 H ALA 108 -9.509 15.840 0.048 850 HA ALA 108 HA ALA 108 -8.578 13.431 1.207 851 HB1 ALA 108 HB1 ALA 108 -7.944 14.805 3.126 852 HB2 ALA 108 HB2 ALA 108 -8.953 16.129 2.531 853 HB3 ALA 108 HB3 ALA 108 -7.536 15.617 1.612 854 H ASP 109 H ASP 109 -11.621 15.183 1.686 855 HA ASP 109 HA ASP 109 -12.420 14.150 4.184 856 HB2 ASP 109 HB2 ASP 109 -14.210 14.935 1.852 857 HB3 ASP 109 HB3 ASP 109 -14.725 14.764 3.528 858 H ASP 110 H ASP 110 -13.122 12.922 0.901 859 HA ASP 110 HA ASP 110 -14.754 10.717 1.674 860 HB2 ASP 110 HB2 ASP 110 -14.783 11.729 -0.588 861 HB3 ASP 110 HB3 ASP 110 -13.137 11.171 -0.876 862 H LEU 111 H LEU 111 -11.289 11.039 1.052 863 HA LEU 111 HA LEU 111 -10.567 8.293 1.240 864 HB2 LEU 111 HB2 LEU 111 -9.075 10.910 1.327 865 HB3 LEU 111 HB3 LEU 111 -8.220 9.454 1.795 866 HG LEU 111 HG LEU 111 -7.811 10.086 -0.574 867 HD11 LEU 111 HD11 LEU 111 -8.161 7.865 -1.570 868 HD12 LEU 111 HD12 LEU 111 -9.253 7.438 -0.251 869 HD13 LEU 111 HD13 LEU 111 -7.548 7.760 0.080 870 HD21 LEU 111 HD21 LEU 111 -9.990 11.082 -1.129 871 HD22 LEU 111 HD22 LEU 111 -10.755 9.492 -1.051 872 HD23 LEU 111 HD23 LEU 111 -9.543 9.834 -2.290 873 H LYS 112 H LYS 112 -10.600 10.903 3.661 874 HA LYS 112 HA LYS 112 -9.605 9.319 5.844 875 HB2 LYS 112 HB2 LYS 112 -11.069 11.991 5.833 876 HB3 LYS 112 HB3 LYS 112 -10.388 11.244 7.278 877 HG2 LYS 112 HG2 LYS 112 -8.826 12.170 4.841 878 HG3 LYS 112 HG3 LYS 112 -8.915 12.991 6.403 879 HD2 LYS 112 HD2 LYS 112 -7.838 10.989 7.470 880 HD3 LYS 112 HD3 LYS 112 -7.683 10.251 5.871 881 HE2 LYS 112 HE2 LYS 112 -5.571 11.294 6.559 882 HE3 LYS 112 HE3 LYS 112 -6.236 12.129 5.155 883 HZ1 LYS 112 HZ1 LYS 112 -6.487 13.051 7.968 884 HZ2 LYS 112 HZ2 LYS 112 -7.052 13.862 6.597 885 HZ3 LYS 112 HZ3 LYS 112 -5.394 13.659 6.833 886 H GLU 113 H GLU 113 -12.810 10.042 4.592 887 HA GLU 113 HA GLU 113 -14.363 9.038 6.755 888 HB2 GLU 113 HB2 GLU 113 -15.280 10.479 4.930 889 HB3 GLU 113 HB3 GLU 113 -15.067 9.155 3.786 890 HG2 GLU 113 HG2 GLU 113 -16.673 7.792 5.181 891 HG3 GLU 113 HG3 GLU 113 -16.949 9.226 6.167 892 H LEU 114 H LEU 114 -13.224 7.546 3.716 893 HA LEU 114 HA LEU 114 -14.269 4.942 4.130 894 HB2 LEU 114 HB2 LEU 114 -13.474 5.918 1.942 895 HB3 LEU 114 HB3 LEU 114 -11.823 5.736 2.487 896 HG LEU 114 HG LEU 114 -13.580 3.270 2.373 897 HD11 LEU 114 HD11 LEU 114 -13.995 4.332 0.206 898 HD12 LEU 114 HD12 LEU 114 -13.031 2.869 0.020 899 HD13 LEU 114 HD13 LEU 114 -12.257 4.453 -0.090 900 HD21 LEU 114 HD21 LEU 114 -11.315 3.023 3.308 901 HD22 LEU 114 HD22 LEU 114 -10.610 3.656 1.820 902 HD23 LEU 114 HD23 LEU 114 -11.476 2.117 1.804 903 H TRP 115 H TRP 115 -11.116 6.397 4.872 904 HA TRP 115 HA TRP 115 -9.780 4.191 5.966 905 HB2 TRP 115 HB2 TRP 115 -8.612 6.274 5.402 906 HB3 TRP 115 HB3 TRP 115 -9.522 7.155 6.625 907 HD1 TRP 115 HD1 TRP 115 -7.559 3.811 7.035 908 HE1 TRP 115 HE1 TRP 115 -5.864 4.123 8.918 909 HE3 TRP 115 HE3 TRP 115 -8.334 8.767 8.040 910 HZ2 TRP 115 HZ2 TRP 115 -4.931 6.168 10.606 911 HZ3 TRP 115 HZ3 TRP 115 -6.979 9.833 9.801 912 HH2 TRP 115 HH2 TRP 115 -5.312 8.558 11.059 913 H ASP 116 H ASP 116 -11.753 6.678 7.636 914 HA ASP 116 HA ASP 116 -11.554 5.663 10.260 915 HB2 ASP 116 HB2 ASP 116 -12.286 7.960 9.800 916 HB3 ASP 116 HB3 ASP 116 -13.726 7.371 8.976 917 H SER 117 H SER 117 -13.953 5.057 7.709 918 HA SER 117 HA SER 117 -15.689 3.351 9.179 919 HB2 SER 117 HB2 SER 117 -15.209 3.561 6.175 920 HB3 SER 117 HB3 SER 117 -16.516 2.627 6.905 921 HG SER 117 HG SER 117 -16.113 5.431 7.200 922 H GLN 118 H GLN 118 -12.686 2.719 7.401 923 HA GLN 118 HA GLN 118 -12.868 -0.163 7.577 924 HB2 GLN 118 HB2 GLN 118 -10.619 1.700 6.747 925 HB3 GLN 118 HB3 GLN 118 -10.378 -0.039 6.888 926 HG2 GLN 118 HG2 GLN 118 -12.315 1.357 5.018 927 HG3 GLN 118 HG3 GLN 118 -10.806 0.564 4.570 928 HE21 GLN 118 HE21 GLN 118 -10.695 -1.759 4.799 929 HE22 GLN 118 HE22 GLN 118 -12.131 -2.714 4.747 930 H VAL 119 H VAL 119 -11.156 2.352 9.447 931 HA VAL 119 HA VAL 119 -9.633 0.582 11.072 932 HB VAL 119 HB VAL 119 -10.424 3.494 11.508 933 HG11 VAL 119 HG11 VAL 119 -10.007 2.499 13.728 934 HG12 VAL 119 HG12 VAL 119 -8.694 3.594 13.292 935 HG13 VAL 119 HG13 VAL 119 -8.464 1.849 13.165 936 HG21 VAL 119 HG21 VAL 119 -8.911 3.102 9.598 937 HG22 VAL 119 HG22 VAL 119 -7.785 2.241 10.650 938 HG23 VAL 119 HG23 VAL 119 -8.074 3.966 10.890 939 H SER 120 H SER 120 -12.725 2.303 11.665 940 HA SER 120 HA SER 120 -13.424 1.282 14.168 941 HB2 SER 120 HB2 SER 120 -15.291 1.897 11.837 942 HB3 SER 120 HB3 SER 120 -15.811 1.678 13.513 943 HG SER 120 HG SER 120 -14.380 3.785 12.339 944 H LYS 121 H LYS 121 -14.006 -0.151 10.959 945 HA LYS 121 HA LYS 121 -15.395 -2.486 11.774 946 HB2 LYS 121 HB2 LYS 121 -15.483 -1.677 9.489 947 HB3 LYS 121 HB3 LYS 121 -13.748 -1.873 9.296 948 HG2 LYS 121 HG2 LYS 121 -14.003 -4.325 9.456 949 HG3 LYS 121 HG3 LYS 121 -15.747 -4.132 9.653 950 HD2 LYS 121 HD2 LYS 121 -14.150 -3.264 7.203 951 HD3 LYS 121 HD3 LYS 121 -15.093 -4.752 7.327 952 HE2 LYS 121 HE2 LYS 121 -16.226 -1.938 7.523 953 HE3 LYS 121 HE3 LYS 121 -16.316 -2.983 6.105 954 HZ1 LYS 121 HZ1 LYS 121 -17.603 -4.566 7.405 955 HZ2 LYS 121 HZ2 LYS 121 -18.356 -3.055 7.356 956 HZ3 LYS 121 HZ3 LYS 121 -17.543 -3.543 8.753 957 H LEU 122 H LEU 122 -11.932 -1.887 11.195 958 HA LEU 122 HA LEU 122 -11.029 -4.555 11.620 959 HB2 LEU 122 HB2 LEU 122 -9.712 -1.909 11.211 960 HB3 LEU 122 HB3 LEU 122 -8.751 -3.106 12.058 961 HG LEU 122 HG LEU 122 -8.907 -4.658 10.168 962 HD11 LEU 122 HD11 LEU 122 -9.939 -4.049 8.028 963 HD12 LEU 122 HD12 LEU 122 -10.552 -2.552 8.732 964 HD13 LEU 122 HD13 LEU 122 -11.140 -4.109 9.319 965 HD21 LEU 122 HD21 LEU 122 -7.062 -3.038 10.200 966 HD22 LEU 122 HD22 LEU 122 -8.035 -1.893 9.268 967 HD23 LEU 122 HD23 LEU 122 -7.544 -3.430 8.549 968 H ARG 123 H ARG 123 -11.523 -1.837 13.841 969 HA ARG 123 HA ARG 123 -10.410 -2.966 16.171 970 HB2 ARG 123 HB2 ARG 123 -12.851 -1.165 15.870 971 HB3 ARG 123 HB3 ARG 123 -12.081 -1.533 17.413 972 HG2 ARG 123 HG2 ARG 123 -10.007 -0.435 16.643 973 HG3 ARG 123 HG3 ARG 123 -10.766 -0.089 15.089 974 HD2 ARG 123 HD2 ARG 123 -10.838 1.914 16.449 975 HD3 ARG 123 HD3 ARG 123 -12.485 1.290 16.281 976 HE ARG 123 HE ARG 123 -11.083 0.401 18.656 977 HH11 ARG 123 HH11 ARG 123 -13.213 2.831 17.406 978 HH12 ARG 123 HH12 ARG 123 -13.745 3.307 18.976 979 HH21 ARG 123 HH21 ARG 123 -11.787 1.031 20.629 980 HH22 ARG 123 HH22 ARG 123 -12.942 2.304 20.779 981 H ARG 124 H ARG 124 -13.478 -3.620 14.520 982 HA ARG 124 HA ARG 124 -14.637 -5.228 16.649 983 HB2 ARG 124 HB2 ARG 124 -15.555 -5.148 13.744 984 HB3 ARG 124 HB3 ARG 124 -16.504 -5.571 15.170 985 HG2 ARG 124 HG2 ARG 124 -16.346 -3.197 15.930 986 HG3 ARG 124 HG3 ARG 124 -15.451 -2.816 14.451 987 HD2 ARG 124 HD2 ARG 124 -17.436 -3.617 13.123 988 HD3 ARG 124 HD3 ARG 124 -18.328 -3.767 14.641 989 HE ARG 124 HE ARG 124 -17.926 -1.327 14.947 990 HH11 ARG 124 HH11 ARG 124 -17.900 -2.618 11.733 991 HH12 ARG 124 HH12 ARG 124 -18.291 -1.098 11.016 992 HH21 ARG 124 HH21 ARG 124 -18.408 0.588 14.001 993 HH22 ARG 124 HH22 ARG 124 -18.559 0.701 12.282 994 H THR 125 H THR 125 -13.529 -5.976 13.316 995 HA THR 125 HA THR 125 -13.774 -8.836 13.675 996 HB THR 125 HB THR 125 -14.346 -7.753 11.505 997 HG1 THR 125 HG1 THR 125 -12.172 -9.589 11.231 998 HG21 THR 125 HG21 THR 125 -12.590 -7.035 9.934 999 HG22 THR 125 HG22 THR 125 -11.347 -7.322 11.155 1000 HG23 THR 125 HG23 THR 125 -12.543 -6.045 11.394 1001 H CYS 126 H CYS 126 -11.202 -6.550 14.011 1002 HA CYS 126 HA CYS 126 -8.973 -6.615 14.382 1003 HB2 CYS 126 HB2 CYS 126 -9.627 -9.339 15.567 1004 HB3 CYS 126 HB3 CYS 126 -8.125 -8.456 15.837 1005 HG CYS 126 HG CYS 126 -10.359 -6.311 16.591 1006 H GLY 127 H GLY 127 -9.257 -6.901 11.823 1007 HA2 GLY 127 HA2 GLY 127 -8.277 -7.662 9.866 1008 HA3 GLY 127 HA3 GLY 127 -7.226 -8.693 10.827 1009 H PHE 128 H PHE 128 -7.469 -10.593 9.596 1010 HA PHE 128 HA PHE 128 -8.333 -12.608 8.938 1011 HB2 PHE 128 HB2 PHE 128 -10.444 -12.032 11.058 1012 HB3 PHE 128 HB3 PHE 128 -10.164 -13.602 10.315 1013 HD1 PHE 128 HD1 PHE 128 -7.616 -14.454 10.508 1014 HD2 PHE 128 HD2 PHE 128 -9.491 -11.679 13.175 1015 HE1 PHE 128 HE1 PHE 128 -6.000 -15.044 12.267 1016 HE2 PHE 128 HE2 PHE 128 -7.871 -12.278 14.925 1017 HZ PHE 128 HZ PHE 128 -6.126 -13.956 14.474 1018 H LEU 129 H LEU 129 -9.508 -10.060 7.653 1019 HA LEU 129 HA LEU 129 -12.122 -11.123 6.731 1020 HB2 LEU 129 HB2 LEU 129 -12.407 -9.328 8.415 1021 HB3 LEU 129 HB3 LEU 129 -11.445 -8.239 7.430 1022 HG LEU 129 HG LEU 129 -13.188 -8.287 5.655 1023 HD11 LEU 129 HD11 LEU 129 -15.385 -9.333 6.078 1024 HD12 LEU 129 HD12 LEU 129 -14.755 -10.054 7.561 1025 HD13 LEU 129 HD13 LEU 129 -14.091 -10.529 5.996 1026 HD21 LEU 129 HD21 LEU 129 -14.912 -6.995 6.857 1027 HD22 LEU 129 HD22 LEU 129 -13.292 -6.535 7.375 1028 HD23 LEU 129 HD23 LEU 129 -14.280 -7.577 8.401 1029 H GLU 130 H GLU 130 -12.394 -11.222 4.615 1030 HA GLU 130 HA GLU 130 -10.457 -10.298 2.692 1031 HB2 GLU 130 HB2 GLU 130 -11.706 -12.393 2.306 1032 HB3 GLU 130 HB3 GLU 130 -13.235 -11.524 2.383 1033 HG2 GLU 130 HG2 GLU 130 -12.474 -10.232 0.312 1034 HG3 GLU 130 HG3 GLU 130 -11.132 -11.377 0.203 1035 H HIS 131 H HIS 131 -10.353 -8.142 2.139 1036 HA HIS 131 HA HIS 131 -12.726 -6.440 2.064 1037 HB2 HIS 131 HB2 HIS 131 -10.464 -5.588 2.846 1038 HB3 HIS 131 HB3 HIS 131 -9.889 -5.734 1.187 1039 HD1 HIS 131 HD1 HIS 131 -10.016 -3.592 -0.041 1040 HD2 HIS 131 HD2 HIS 131 -12.935 -3.838 2.896 1041 HE1 HIS 131 HE1 HIS 131 -11.240 -1.399 -0.135 1042 HE2 HIS 131 HE2 HIS 131 -13.113 -1.651 1.533 1043 H HIS 132 H HIS 132 -13.775 -7.836 0.550 1044 HA HIS 132 HA HIS 132 -12.832 -8.429 -2.074 1045 HB2 HIS 132 HB2 HIS 132 -15.249 -9.221 -2.410 1046 HB3 HIS 132 HB3 HIS 132 -14.363 -9.973 -1.092 1047 HD1 HIS 132 HD1 HIS 132 -16.644 -6.907 -1.372 1048 HD2 HIS 132 HD2 HIS 132 -15.965 -10.199 1.077 1049 HE1 HIS 132 HE1 HIS 132 -18.329 -6.726 0.473 1050 HE2 HIS 132 HE2 HIS 132 -17.782 -8.616 2.027 1051 H HIS 133 H HIS 133 -13.494 -7.656 -4.084 1052 HA HIS 133 HA HIS 133 -15.102 -5.159 -4.222 1053 HB2 HIS 133 HB2 HIS 133 -12.547 -5.808 -5.757 1054 HB3 HIS 133 HB3 HIS 133 -13.594 -4.449 -6.139 1055 HD1 HIS 133 HD1 HIS 133 -13.502 -2.415 -4.602 1056 HD2 HIS 133 HD2 HIS 133 -10.926 -5.458 -3.451 1057 HE1 HIS 133 HE1 HIS 133 -11.964 -1.380 -2.921 1058 HE2 HIS 133 HE2 HIS 133 -10.248 -3.162 -2.469 1059 H HIS 134 H HIS 134 -14.784 -8.396 -5.316 1060 HA HIS 134 HA HIS 134 -15.286 -9.618 -7.159 1061 HB2 HIS 134 HB2 HIS 134 -17.570 -7.633 -7.098 1062 HB3 HIS 134 HB3 HIS 134 -17.457 -8.748 -8.451 1063 HD1 HIS 134 HD1 HIS 134 -18.859 -8.503 -5.139 1064 HD2 HIS 134 HD2 HIS 134 -17.407 -11.576 -7.529 1065 HE1 HIS 134 HE1 HIS 134 -19.821 -10.613 -4.174 1066 HE2 HIS 134 HE2 HIS 134 -18.825 -12.463 -5.555 1067 H HIS 135 H HIS 135 -13.278 -7.628 -7.482 1068 HA HIS 135 HA HIS 135 -11.945 -6.557 -8.923 1069 HB2 HIS 135 HB2 HIS 135 -13.503 -7.954 -11.139 1070 HB3 HIS 135 HB3 HIS 135 -11.914 -7.206 -11.310 1071 HD1 HIS 135 HD1 HIS 135 -13.608 -10.306 -10.218 1072 HD2 HIS 135 HD2 HIS 135 -9.789 -8.677 -9.988 1073 HE1 HIS 135 HE1 HIS 135 -12.113 -12.200 -9.538 1074 HE2 HIS 135 HE2 HIS 135 -9.857 -11.150 -9.204 1075 H HIS 136 H HIS 136 -11.774 -4.696 -10.359 1076 HA HIS 136 HA HIS 136 -14.006 -2.880 -9.935 1077 HB2 HIS 136 HB2 HIS 136 -11.612 -2.209 -9.532 1078 HB3 HIS 136 HB3 HIS 136 -11.323 -2.301 -11.266 1079 HD1 HIS 136 HD1 HIS 136 -12.137 -0.336 -12.696 1080 HD2 HIS 136 HD2 HIS 136 -13.309 -0.032 -8.720 1081 HE1 HIS 136 HE1 HIS 136 -13.095 1.970 -12.452 1082 HE2 HIS 136 HE2 HIS 136 -13.920 2.086 -10.083 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -3.166 22.599 -3.966 2 H2 MET 1 H2 MET 1 -2.670 23.952 -3.083 3 H3 MET 1 H3 MET 1 -1.910 22.462 -2.842 4 HA MET 1 HA MET 1 -1.875 24.027 -5.350 5 HB2 MET 1 HB2 MET 1 -0.595 25.121 -3.523 6 HB3 MET 1 HB3 MET 1 0.328 23.645 -3.283 7 HG2 MET 1 HG2 MET 1 1.311 23.880 -5.524 8 HG3 MET 1 HG3 MET 1 0.355 25.338 -5.798 9 HE1 MET 1 HE1 MET 1 2.681 26.580 -6.463 10 HE2 MET 1 HE2 MET 1 3.603 25.123 -6.090 11 HE3 MET 1 HE3 MET 1 4.068 26.669 -5.376 12 H LYS 2 H LYS 2 0.387 21.685 -3.780 13 HA LYS 2 HA LYS 2 0.030 19.845 -6.093 14 HB2 LYS 2 HB2 LYS 2 2.626 20.407 -4.589 15 HB3 LYS 2 HB3 LYS 2 2.426 19.198 -5.854 16 HG2 LYS 2 HG2 LYS 2 2.242 22.215 -6.190 17 HG3 LYS 2 HG3 LYS 2 3.554 21.159 -6.733 18 HD2 LYS 2 HD2 LYS 2 1.851 19.968 -8.206 19 HD3 LYS 2 HD3 LYS 2 0.693 21.232 -7.773 20 HE2 LYS 2 HE2 LYS 2 1.696 21.772 -9.916 21 HE3 LYS 2 HE3 LYS 2 2.266 22.931 -8.717 22 HZ1 LYS 2 HZ1 LYS 2 4.333 21.718 -8.554 23 HZ2 LYS 2 HZ2 LYS 2 4.043 22.135 -10.167 24 HZ3 LYS 2 HZ3 LYS 2 3.781 20.548 -9.645 25 H LYS 3 H LYS 3 -1.654 18.977 -4.627 26 HA LYS 3 HA LYS 3 -2.517 17.327 -3.362 27 HB2 LYS 3 HB2 LYS 3 0.297 16.177 -3.575 28 HB3 LYS 3 HB3 LYS 3 -1.057 15.295 -2.875 29 HG2 LYS 3 HG2 LYS 3 -1.005 16.332 -5.723 30 HG3 LYS 3 HG3 LYS 3 -0.531 14.692 -5.253 31 HD2 LYS 3 HD2 LYS 3 -2.888 14.527 -4.203 32 HD3 LYS 3 HD3 LYS 3 -3.267 15.997 -5.105 33 HE2 LYS 3 HE2 LYS 3 -4.014 14.080 -6.366 34 HE3 LYS 3 HE3 LYS 3 -2.634 14.790 -7.207 35 HZ1 LYS 3 HZ1 LYS 3 -1.224 13.084 -6.275 36 HZ2 LYS 3 HZ2 LYS 3 -2.513 12.369 -7.095 37 HZ3 LYS 3 HZ3 LYS 3 -2.516 12.429 -5.408 38 H GLU 4 H GLU 4 -2.263 16.042 -1.233 39 HA GLU 4 HA GLU 4 -0.503 17.353 0.753 40 HB2 GLU 4 HB2 GLU 4 -2.814 18.061 1.226 41 HB3 GLU 4 HB3 GLU 4 -3.365 16.391 1.201 42 HG2 GLU 4 HG2 GLU 4 -2.016 15.900 3.212 43 HG3 GLU 4 HG3 GLU 4 -1.428 17.566 3.228 44 H LYS 5 H LYS 5 0.956 15.920 1.412 45 HA LYS 5 HA LYS 5 0.717 13.092 1.027 46 HB2 LYS 5 HB2 LYS 5 2.869 14.404 0.925 47 HB3 LYS 5 HB3 LYS 5 2.785 14.629 2.663 48 HG2 LYS 5 HG2 LYS 5 2.835 11.862 1.434 49 HG3 LYS 5 HG3 LYS 5 4.324 12.769 1.686 50 HD2 LYS 5 HD2 LYS 5 2.349 12.050 3.895 51 HD3 LYS 5 HD3 LYS 5 3.802 11.125 3.513 52 HE2 LYS 5 HE2 LYS 5 3.763 14.030 4.417 53 HE3 LYS 5 HE3 LYS 5 4.129 12.641 5.445 54 HZ1 LYS 5 HZ1 LYS 5 6.154 13.684 4.683 55 HZ2 LYS 5 HZ2 LYS 5 5.690 13.512 3.069 56 HZ3 LYS 5 HZ3 LYS 5 6.023 12.140 3.999 57 H ILE 6 H ILE 6 -0.037 11.614 2.417 58 HA ILE 6 HA ILE 6 -0.630 12.235 5.224 59 HB ILE 6 HB ILE 6 -2.958 11.339 5.059 60 HG12 ILE 6 HG12 ILE 6 -2.423 11.305 2.055 61 HG13 ILE 6 HG13 ILE 6 -2.839 9.937 3.095 62 HG21 ILE 6 HG21 ILE 6 -2.520 13.768 3.289 63 HG22 ILE 6 HG22 ILE 6 -2.641 13.772 5.050 64 HG23 ILE 6 HG23 ILE 6 -4.041 13.325 4.074 65 HD11 ILE 6 HD11 ILE 6 -5.092 10.833 3.374 66 HD12 ILE 6 HD12 ILE 6 -4.691 10.598 1.673 67 HD13 ILE 6 HD13 ILE 6 -4.679 12.219 2.361 68 H HIS 7 H HIS 7 0.006 10.570 6.455 69 HA HIS 7 HA HIS 7 0.256 7.874 5.259 70 HB2 HIS 7 HB2 HIS 7 1.831 7.357 7.157 71 HB3 HIS 7 HB3 HIS 7 2.406 8.546 6.013 72 HD1 HIS 7 HD1 HIS 7 3.733 8.297 8.720 73 HD2 HIS 7 HD2 HIS 7 0.653 10.970 7.949 74 HE1 HIS 7 HE1 HIS 7 3.996 10.120 10.419 75 HE2 HIS 7 HE2 HIS 7 2.205 11.785 9.843 76 H LEU 8 H LEU 8 -1.314 6.515 5.684 77 HA LEU 8 HA LEU 8 -3.140 7.018 7.932 78 HB2 LEU 8 HB2 LEU 8 -3.541 5.260 5.478 79 HB3 LEU 8 HB3 LEU 8 -4.738 5.542 6.722 80 HG LEU 8 HG LEU 8 -5.432 6.883 4.924 81 HD11 LEU 8 HD11 LEU 8 -5.272 9.193 5.666 82 HD12 LEU 8 HD12 LEU 8 -3.917 8.783 6.721 83 HD13 LEU 8 HD13 LEU 8 -5.516 8.101 7.031 84 HD21 LEU 8 HD21 LEU 8 -2.605 7.912 4.559 85 HD22 LEU 8 HD22 LEU 8 -4.021 8.386 3.615 86 HD23 LEU 8 HD23 LEU 8 -3.428 6.729 3.537 87 H GLU 9 H GLU 9 -2.861 5.787 9.685 88 HA GLU 9 HA GLU 9 -1.257 3.316 9.608 89 HB2 GLU 9 HB2 GLU 9 -0.527 5.137 11.088 90 HB3 GLU 9 HB3 GLU 9 -2.108 5.199 11.861 91 HG2 GLU 9 HG2 GLU 9 -1.713 2.916 12.775 92 HG3 GLU 9 HG3 GLU 9 -0.108 2.928 12.038 93 H TYR 10 H TYR 10 -2.095 1.342 10.107 94 HA TYR 10 HA TYR 10 -4.919 1.104 11.000 95 HB2 TYR 10 HB2 TYR 10 -3.582 -0.444 8.723 96 HB3 TYR 10 HB3 TYR 10 -5.211 -0.737 9.328 97 HD1 TYR 10 HD1 TYR 10 -6.782 1.465 9.350 98 HD2 TYR 10 HD2 TYR 10 -3.395 0.914 6.789 99 HE1 TYR 10 HE1 TYR 10 -7.697 3.120 7.785 100 HE2 TYR 10 HE2 TYR 10 -4.311 2.573 5.219 101 HH TYR 10 HH TYR 10 -6.549 3.543 4.638 102 H LEU 11 H LEU 11 -5.390 -0.628 12.333 103 HA LEU 11 HA LEU 11 -3.122 -2.144 13.435 104 HB2 LEU 11 HB2 LEU 11 -4.555 -2.690 15.350 105 HB3 LEU 11 HB3 LEU 11 -4.438 -0.962 15.111 106 HG LEU 11 HG LEU 11 -6.882 -2.550 14.205 107 HD11 LEU 11 HD11 LEU 11 -6.529 -1.157 16.877 108 HD12 LEU 11 HD12 LEU 11 -6.619 -2.901 16.615 109 HD13 LEU 11 HD13 LEU 11 -8.019 -1.889 16.267 110 HD21 LEU 11 HD21 LEU 11 -6.676 -0.329 13.178 111 HD22 LEU 11 HD22 LEU 11 -6.537 0.419 14.770 112 HD23 LEU 11 HD23 LEU 11 -8.042 -0.375 14.294 113 H LEU 12 H LEU 12 -2.741 -3.893 12.176 114 HA LEU 12 HA LEU 12 -4.928 -5.698 11.393 115 HB2 LEU 12 HB2 LEU 12 -2.007 -5.484 10.644 116 HB3 LEU 12 HB3 LEU 12 -2.856 -6.994 10.373 117 HG LEU 12 HG LEU 12 -2.803 -5.622 8.328 118 HD11 LEU 12 HD11 LEU 12 -5.200 -5.695 7.770 119 HD12 LEU 12 HD12 LEU 12 -5.593 -5.915 9.480 120 HD13 LEU 12 HD13 LEU 12 -4.668 -7.148 8.616 121 HD21 LEU 12 HD21 LEU 12 -4.440 -3.561 9.845 122 HD22 LEU 12 HD22 LEU 12 -4.005 -3.508 8.133 123 HD23 LEU 12 HD23 LEU 12 -2.751 -3.382 9.364 124 H ASN 13 H ASN 13 -5.503 -7.379 12.646 125 HA ASN 13 HA ASN 13 -4.238 -7.390 15.258 126 HB2 ASN 13 HB2 ASN 13 -6.761 -7.156 14.783 127 HB3 ASN 13 HB3 ASN 13 -6.772 -8.890 14.524 128 HD21 ASN 13 HD21 ASN 13 -4.765 -9.286 16.808 129 HD22 ASN 13 HD22 ASN 13 -5.714 -9.063 18.221 130 H ALA 14 H ALA 14 -2.636 -8.775 15.641 131 HA ALA 14 HA ALA 14 -1.512 -10.657 16.142 132 HB1 ALA 14 HB1 ALA 14 -4.209 -12.015 15.973 133 HB2 ALA 14 HB2 ALA 14 -3.594 -11.125 17.366 134 HB3 ALA 14 HB3 ALA 14 -2.790 -12.609 16.845 135 H THR 15 H THR 15 -3.845 -12.253 13.966 136 HA THR 15 HA THR 15 -1.846 -14.066 12.982 137 HB THR 15 HB THR 15 -3.699 -15.080 11.694 138 HG1 THR 15 HG1 THR 15 -4.886 -12.600 12.171 139 HG21 THR 15 HG21 THR 15 -3.518 -15.658 14.093 140 HG22 THR 15 HG22 THR 15 -5.200 -15.661 13.561 141 HG23 THR 15 HG23 THR 15 -4.577 -14.304 14.505 142 H SER 16 H SER 16 -2.897 -10.993 11.838 143 HA SER 16 HA SER 16 -2.205 -11.468 9.026 144 HB2 SER 16 HB2 SER 16 -3.172 -8.953 10.455 145 HB3 SER 16 HB3 SER 16 -2.910 -9.089 8.715 146 HG SER 16 HG SER 16 -4.454 -10.977 8.967 147 H LYS 17 H LYS 17 -0.073 -11.485 8.508 148 HA LYS 17 HA LYS 17 1.851 -9.780 9.984 149 HB2 LYS 17 HB2 LYS 17 2.316 -12.396 8.493 150 HB3 LYS 17 HB3 LYS 17 3.585 -11.428 9.245 151 HG2 LYS 17 HG2 LYS 17 2.358 -11.713 11.447 152 HG3 LYS 17 HG3 LYS 17 1.309 -12.879 10.626 153 HD2 LYS 17 HD2 LYS 17 3.296 -14.270 10.092 154 HD3 LYS 17 HD3 LYS 17 4.335 -13.099 10.913 155 HE2 LYS 17 HE2 LYS 17 3.045 -13.547 13.035 156 HE3 LYS 17 HE3 LYS 17 2.175 -14.824 12.179 157 HZ1 LYS 17 HZ1 LYS 17 5.094 -14.710 12.688 158 HZ2 LYS 17 HZ2 LYS 17 4.313 -15.916 11.791 159 HZ3 LYS 17 HZ3 LYS 17 3.977 -15.734 13.436 160 H ASN 18 H ASN 18 4.041 -9.937 8.308 161 HA ASN 18 HA ASN 18 3.763 -7.663 6.730 162 HB2 ASN 18 HB2 ASN 18 6.057 -8.105 5.988 163 HB3 ASN 18 HB3 ASN 18 5.879 -8.467 7.696 164 HD21 ASN 18 HD21 ASN 18 7.857 -9.410 5.739 165 HD22 ASN 18 HD22 ASN 18 7.797 -11.131 5.820 166 H ILE 19 H ILE 19 3.277 -10.958 5.788 167 HA ILE 19 HA ILE 19 3.786 -10.954 3.035 168 HB ILE 19 HB ILE 19 1.865 -12.650 4.673 169 HG12 ILE 19 HG12 ILE 19 4.729 -13.346 3.871 170 HG13 ILE 19 HG13 ILE 19 4.355 -12.521 5.377 171 HG21 ILE 19 HG21 ILE 19 3.054 -13.293 1.947 172 HG22 ILE 19 HG22 ILE 19 1.355 -12.961 2.294 173 HG23 ILE 19 HG23 ILE 19 2.118 -14.410 2.946 174 HD11 ILE 19 HD11 ILE 19 3.013 -14.430 6.080 175 HD12 ILE 19 HD12 ILE 19 4.693 -14.850 5.749 176 HD13 ILE 19 HD13 ILE 19 3.437 -15.269 4.582 177 H LEU 20 H LEU 20 0.987 -9.742 4.748 178 HA LEU 20 HA LEU 20 -1.121 -9.636 3.007 179 HB2 LEU 20 HB2 LEU 20 -0.044 -7.355 4.712 180 HB3 LEU 20 HB3 LEU 20 -1.652 -7.362 3.997 181 HG LEU 20 HG LEU 20 -0.693 -9.377 6.067 182 HD11 LEU 20 HD11 LEU 20 -2.025 -8.131 7.693 183 HD12 LEU 20 HD12 LEU 20 -2.418 -6.916 6.477 184 HD13 LEU 20 HD13 LEU 20 -0.749 -7.116 7.019 185 HD21 LEU 20 HD21 LEU 20 -3.483 -8.825 4.998 186 HD22 LEU 20 HD22 LEU 20 -3.066 -9.966 6.281 187 HD23 LEU 20 HD23 LEU 20 -2.492 -10.244 4.639 188 H TRP 21 H TRP 21 1.277 -6.995 3.196 189 HA TRP 21 HA TRP 21 0.643 -6.124 0.459 190 HB2 TRP 21 HB2 TRP 21 1.882 -4.716 2.836 191 HB3 TRP 21 HB3 TRP 21 1.987 -4.040 1.213 192 HD1 TRP 21 HD1 TRP 21 -0.606 -4.766 3.978 193 HE1 TRP 21 HE1 TRP 21 -2.710 -3.379 3.475 194 HE3 TRP 21 HE3 TRP 21 0.651 -3.007 -0.659 195 HZ2 TRP 21 HZ2 TRP 21 -3.717 -1.753 1.403 196 HZ3 TRP 21 HZ3 TRP 21 -0.938 -1.537 -1.839 197 HH2 TRP 21 HH2 TRP 21 -3.081 -0.923 -0.828 198 H SER 22 H SER 22 3.183 -7.724 2.214 199 HA SER 22 HA SER 22 5.430 -7.015 0.652 200 HB2 SER 22 HB2 SER 22 5.656 -8.297 2.740 201 HB3 SER 22 HB3 SER 22 4.866 -9.686 2.003 202 HG SER 22 HG SER 22 7.439 -8.654 1.587 203 H ALA 23 H ALA 23 2.693 -8.905 -0.208 204 HA ALA 23 HA ALA 23 3.496 -10.481 -2.349 205 HB1 ALA 23 HB1 ALA 23 0.950 -8.852 -2.102 206 HB2 ALA 23 HB2 ALA 23 1.221 -10.450 -1.403 207 HB3 ALA 23 HB3 ALA 23 1.187 -10.251 -3.158 208 H ILE 24 H ILE 24 3.004 -6.945 -2.286 209 HA ILE 24 HA ILE 24 2.992 -6.558 -5.125 210 HB ILE 24 HB ILE 24 3.088 -4.162 -4.710 211 HG12 ILE 24 HG12 ILE 24 3.977 -4.938 -1.905 212 HG13 ILE 24 HG13 ILE 24 4.803 -3.895 -3.047 213 HG21 ILE 24 HG21 ILE 24 1.112 -3.897 -3.262 214 HG22 ILE 24 HG22 ILE 24 1.345 -5.524 -2.624 215 HG23 ILE 24 HG23 ILE 24 0.933 -5.294 -4.326 216 HD11 ILE 24 HD11 ILE 24 3.919 -2.601 -1.244 217 HD12 ILE 24 HD12 ILE 24 2.308 -3.271 -1.478 218 HD13 ILE 24 HD13 ILE 24 3.009 -2.205 -2.704 219 H SER 25 H SER 25 5.574 -6.915 -2.831 220 HA SER 25 HA SER 25 7.720 -5.784 -4.326 221 HB2 SER 25 HB2 SER 25 7.992 -6.323 -1.951 222 HB3 SER 25 HB3 SER 25 7.730 -8.035 -2.274 223 HG SER 25 HG SER 25 9.682 -8.139 -3.309 224 H THR 26 H THR 26 6.124 -8.940 -4.435 225 HA THR 26 HA THR 26 8.015 -9.949 -6.468 226 HB THR 26 HB THR 26 6.839 -12.148 -6.224 227 HG1 THR 26 HG1 THR 26 5.005 -10.675 -4.959 228 HG21 THR 26 HG21 THR 26 8.856 -11.720 -4.895 229 HG22 THR 26 HG22 THR 26 7.713 -12.711 -3.984 230 HG23 THR 26 HG23 THR 26 7.883 -10.992 -3.613 231 HA PRO 27 HA PRO 27 5.207 -9.318 -9.989 232 HB2 PRO 27 HB2 PRO 27 5.900 -11.735 -11.314 233 HB3 PRO 27 HB3 PRO 27 6.704 -10.173 -11.519 234 HG2 PRO 27 HG2 PRO 27 7.456 -12.481 -9.721 235 HG3 PRO 27 HG3 PRO 27 8.508 -11.445 -10.717 236 HD2 PRO 27 HD2 PRO 27 8.361 -11.056 -8.100 237 HD3 PRO 27 HD3 PRO 27 8.367 -9.649 -9.184 238 H THR 28 H THR 28 5.397 -12.823 -9.122 239 HA THR 28 HA THR 28 2.850 -13.641 -9.711 240 HB THR 28 HB THR 28 4.500 -15.287 -9.139 241 HG1 THR 28 HG1 THR 28 2.829 -15.704 -6.946 242 HG21 THR 28 HG21 THR 28 5.375 -15.632 -6.851 243 HG22 THR 28 HG22 THR 28 4.499 -14.203 -6.297 244 HG23 THR 28 HG23 THR 28 5.811 -14.035 -7.467 245 H GLY 29 H GLY 29 3.878 -12.195 -6.622 246 HA2 GLY 29 HA2 GLY 29 1.410 -12.560 -5.225 247 HA3 GLY 29 HA3 GLY 29 2.729 -11.499 -4.756 248 H LEU 30 H LEU 30 2.730 -9.880 -7.119 249 HA LEU 30 HA LEU 30 0.854 -7.885 -6.328 250 HB2 LEU 30 HB2 LEU 30 3.253 -7.819 -7.619 251 HB3 LEU 30 HB3 LEU 30 2.204 -7.654 -9.012 252 HG LEU 30 HG LEU 30 2.242 -5.776 -6.606 253 HD11 LEU 30 HD11 LEU 30 3.311 -4.136 -8.061 254 HD12 LEU 30 HD12 LEU 30 3.369 -5.309 -9.378 255 HD13 LEU 30 HD13 LEU 30 4.303 -5.586 -7.906 256 HD21 LEU 30 HD21 LEU 30 0.029 -5.821 -7.632 257 HD22 LEU 30 HD22 LEU 30 0.731 -5.484 -9.217 258 HD23 LEU 30 HD23 LEU 30 0.827 -4.277 -7.931 259 H GLU 31 H GLU 31 1.049 -9.960 -9.235 260 HA GLU 31 HA GLU 31 -1.335 -8.970 -10.467 261 HB2 GLU 31 HB2 GLU 31 -1.085 -10.936 -12.016 262 HB3 GLU 31 HB3 GLU 31 0.354 -9.934 -11.871 263 HG2 GLU 31 HG2 GLU 31 1.323 -11.582 -10.290 264 HG3 GLU 31 HG3 GLU 31 -0.092 -12.605 -10.508 265 H ASP 32 H ASP 32 -0.963 -11.215 -7.855 266 HA ASP 32 HA ASP 32 -3.331 -12.755 -8.173 267 HB2 ASP 32 HB2 ASP 32 -1.817 -11.898 -5.685 268 HB3 ASP 32 HB3 ASP 32 -3.213 -12.971 -5.618 269 H TRP 33 H TRP 33 -2.883 -9.403 -7.241 270 HA TRP 33 HA TRP 33 -5.770 -9.065 -6.841 271 HB2 TRP 33 HB2 TRP 33 -5.569 -7.990 -4.659 272 HB3 TRP 33 HB3 TRP 33 -4.889 -9.605 -4.581 273 HD1 TRP 33 HD1 TRP 33 -1.885 -8.897 -5.594 274 HE1 TRP 33 HE1 TRP 33 -0.329 -7.607 -4.010 275 HE3 TRP 33 HE3 TRP 33 -5.415 -6.770 -2.560 276 HZ2 TRP 33 HZ2 TRP 33 -0.562 -5.902 -1.758 277 HZ3 TRP 33 HZ3 TRP 33 -4.671 -5.323 -0.709 278 HH2 TRP 33 HH2 TRP 33 -2.290 -4.898 -0.317 279 H PHE 34 H PHE 34 -4.036 -8.152 -8.975 280 HA PHE 34 HA PHE 34 -4.783 -5.324 -8.861 281 HB2 PHE 34 HB2 PHE 34 -2.429 -5.485 -7.938 282 HB3 PHE 34 HB3 PHE 34 -1.896 -6.041 -9.517 283 HD1 PHE 34 HD2 PHE 34 -3.524 -3.167 -7.758 284 HD2 PHE 34 HD1 PHE 34 -1.359 -4.440 -11.221 285 HE1 PHE 34 HE2 PHE 34 -3.246 -0.826 -8.454 286 HE2 PHE 34 HE1 PHE 34 -1.089 -2.099 -11.898 287 HZ PHE 34 HZ PHE 34 -2.025 -0.287 -10.523 288 H ALA 35 H ALA 35 -2.760 -7.401 -11.025 289 HA ALA 35 HA ALA 35 -4.434 -6.534 -13.338 290 HB1 ALA 35 HB1 ALA 35 -2.145 -5.593 -13.384 291 HB2 ALA 35 HB2 ALA 35 -2.428 -6.691 -14.737 292 HB3 ALA 35 HB3 ALA 35 -1.475 -7.226 -13.349 293 H ASP 36 H ASP 36 -3.984 -8.116 -15.300 294 HA ASP 36 HA ASP 36 -4.975 -10.729 -14.701 295 HB2 ASP 36 HB2 ASP 36 -3.710 -9.667 -17.275 296 HB3 ASP 36 HB3 ASP 36 -4.636 -11.163 -17.133 297 H LYS 37 H LYS 37 -1.863 -9.620 -16.026 298 HA LYS 37 HA LYS 37 -0.342 -11.539 -14.451 299 HB2 LYS 37 HB2 LYS 37 -1.013 -12.678 -16.687 300 HB3 LYS 37 HB3 LYS 37 0.027 -11.516 -17.493 301 HG2 LYS 37 HG2 LYS 37 1.069 -13.348 -15.314 302 HG3 LYS 37 HG3 LYS 37 0.951 -13.882 -16.990 303 HD2 LYS 37 HD2 LYS 37 2.554 -12.219 -17.715 304 HD3 LYS 37 HD3 LYS 37 2.528 -11.420 -16.142 305 HE2 LYS 37 HE2 LYS 37 3.580 -14.220 -16.665 306 HE3 LYS 37 HE3 LYS 37 4.567 -12.772 -16.445 307 HZ1 LYS 37 HZ1 LYS 37 4.409 -14.062 -14.410 308 HZ2 LYS 37 HZ2 LYS 37 2.722 -13.925 -14.418 309 HZ3 LYS 37 HZ3 LYS 37 3.678 -12.550 -14.204 310 H VAL 38 H VAL 38 1.592 -10.566 -13.845 311 HA VAL 38 HA VAL 38 2.351 -8.053 -15.236 312 HB VAL 38 HB VAL 38 3.234 -7.153 -13.164 313 HG11 VAL 38 HG11 VAL 38 0.440 -8.251 -12.684 314 HG12 VAL 38 HG12 VAL 38 0.836 -6.791 -13.592 315 HG13 VAL 38 HG13 VAL 38 1.167 -6.866 -11.861 316 HG21 VAL 38 HG21 VAL 38 3.000 -8.285 -10.977 317 HG22 VAL 38 HG22 VAL 38 4.055 -9.187 -12.067 318 HG23 VAL 38 HG23 VAL 38 2.399 -9.734 -11.791 319 H VAL 39 H VAL 39 4.207 -8.068 -16.281 320 HA VAL 39 HA VAL 39 6.276 -10.106 -15.738 321 HB VAL 39 HB VAL 39 6.068 -8.116 -18.049 322 HG11 VAL 39 HG11 VAL 39 7.915 -10.527 -17.740 323 HG12 VAL 39 HG12 VAL 39 8.403 -8.832 -17.697 324 HG13 VAL 39 HG13 VAL 39 7.773 -9.528 -19.191 325 HG21 VAL 39 HG21 VAL 39 4.181 -9.705 -18.103 326 HG22 VAL 39 HG22 VAL 39 5.302 -11.066 -18.008 327 HG23 VAL 39 HG23 VAL 39 5.298 -10.028 -19.435 328 H SER 40 H SER 40 7.884 -9.523 -14.340 329 HA SER 40 HA SER 40 8.669 -6.656 -14.123 330 HB2 SER 40 HB2 SER 40 7.814 -7.622 -12.012 331 HB3 SER 40 HB3 SER 40 9.040 -8.891 -12.076 332 HG SER 40 HG SER 40 9.365 -6.732 -10.834 333 H ASP 41 H ASP 41 10.628 -6.079 -14.794 334 HA ASP 41 HA ASP 41 12.515 -7.932 -15.925 335 HB2 ASP 41 HB2 ASP 41 12.892 -4.956 -15.355 336 HB3 ASP 41 HB3 ASP 41 13.786 -5.936 -16.520 337 H ASP 42 H ASP 42 12.693 -5.665 -13.167 338 HA ASP 42 HA ASP 42 13.998 -7.564 -11.459 339 HB2 ASP 42 HB2 ASP 42 15.921 -6.676 -12.883 340 HB3 ASP 42 HB3 ASP 42 15.629 -5.084 -12.191 341 H LYS 43 H LYS 43 13.999 -3.977 -11.693 342 HA LYS 43 HA LYS 43 12.351 -3.796 -9.222 343 HB2 LYS 43 HB2 LYS 43 14.508 -1.890 -10.242 344 HB3 LYS 43 HB3 LYS 43 13.493 -1.589 -8.832 345 HG2 LYS 43 HG2 LYS 43 14.473 -3.544 -7.694 346 HG3 LYS 43 HG3 LYS 43 15.454 -3.891 -9.123 347 HD2 LYS 43 HD2 LYS 43 16.609 -1.708 -8.843 348 HD3 LYS 43 HD3 LYS 43 15.645 -1.388 -7.397 349 HE2 LYS 43 HE2 LYS 43 16.659 -3.335 -6.280 350 HE3 LYS 43 HE3 LYS 43 17.592 -3.701 -7.737 351 HZ1 LYS 43 HZ1 LYS 43 18.691 -1.556 -7.503 352 HZ2 LYS 43 HZ2 LYS 43 18.918 -2.518 -6.132 353 HZ3 LYS 43 HZ3 LYS 43 17.813 -1.238 -6.092 354 H THR 44 H THR 44 11.570 -3.900 -12.154 355 HA THR 44 HA THR 44 9.655 -1.655 -12.020 356 HB THR 44 HB THR 44 11.055 -2.422 -14.625 357 HG1 THR 44 HG1 THR 44 12.120 -0.466 -14.449 358 HG21 THR 44 HG21 THR 44 9.910 -0.439 -15.565 359 HG22 THR 44 HG22 THR 44 9.088 -0.180 -14.024 360 HG23 THR 44 HG23 THR 44 8.739 -1.624 -14.981 361 H VAL 45 H VAL 45 7.660 -2.462 -12.142 362 HA VAL 45 HA VAL 45 7.202 -5.199 -13.175 363 HB VAL 45 HB VAL 45 5.433 -3.624 -11.241 364 HG11 VAL 45 HG11 VAL 45 4.243 -5.409 -12.442 365 HG12 VAL 45 HG12 VAL 45 4.433 -5.835 -10.741 366 HG13 VAL 45 HG13 VAL 45 5.472 -6.582 -11.955 367 HG21 VAL 45 HG21 VAL 45 7.544 -5.712 -10.545 368 HG22 VAL 45 HG22 VAL 45 6.392 -4.999 -9.413 369 HG23 VAL 45 HG23 VAL 45 7.623 -3.986 -10.169 370 H THR 46 H THR 46 6.108 -5.354 -15.058 371 HA THR 46 HA THR 46 4.533 -3.094 -16.117 372 HB THR 46 HB THR 46 5.396 -5.625 -17.598 373 HG1 THR 46 HG1 THR 46 7.305 -4.746 -17.773 374 HG21 THR 46 HG21 THR 46 3.535 -4.382 -18.693 375 HG22 THR 46 HG22 THR 46 5.021 -4.268 -19.637 376 HG23 THR 46 HG23 THR 46 4.501 -2.902 -18.649 377 H PHE 47 H PHE 47 2.402 -3.197 -15.648 378 HA PHE 47 HA PHE 47 1.047 -5.678 -14.973 379 HB2 PHE 47 HB2 PHE 47 -0.289 -2.961 -15.154 380 HB3 PHE 47 HB3 PHE 47 -0.703 -4.320 -14.117 381 HD1 PHE 47 HD1 PHE 47 1.266 -4.990 -12.392 382 HD2 PHE 47 HD2 PHE 47 0.754 -1.144 -14.164 383 HE1 PHE 47 HE1 PHE 47 2.524 -3.973 -10.542 384 HE2 PHE 47 HE2 PHE 47 2.007 -0.131 -12.307 385 HZ PHE 47 HZ PHE 47 2.890 -1.541 -10.493 386 H CYS 48 H CYS 48 0.373 -6.899 -16.694 387 HA CYS 48 HA CYS 48 -0.590 -5.676 -19.176 388 HB2 CYS 48 HB2 CYS 48 -0.387 -8.621 -18.423 389 HB3 CYS 48 HB3 CYS 48 -0.729 -7.985 -20.034 390 HG CYS 48 HG CYS 48 2.139 -6.979 -18.554 391 H TRP 49 H TRP 49 -2.644 -5.282 -19.610 392 HA TRP 49 HA TRP 49 -4.848 -6.674 -18.202 393 HB2 TRP 49 HB2 TRP 49 -4.691 -3.718 -18.935 394 HB3 TRP 49 HB3 TRP 49 -6.159 -4.518 -18.393 395 HD1 TRP 49 HD1 TRP 49 -5.774 -5.754 -15.786 396 HE1 TRP 49 HE1 TRP 49 -4.822 -4.565 -13.713 397 HE3 TRP 49 HE3 TRP 49 -3.180 -2.010 -18.109 398 HZ2 TRP 49 HZ2 TRP 49 -3.188 -2.355 -13.134 399 HZ3 TRP 49 HZ3 TRP 49 -1.940 -0.400 -16.718 400 HH2 TRP 49 HH2 TRP 49 -1.941 -0.567 -14.280 401 H GLY 50 H GLY 50 -5.581 -8.018 -19.781 402 HA2 GLY 50 HA2 GLY 50 -6.896 -8.621 -21.568 403 HA3 GLY 50 HA3 GLY 50 -7.131 -6.926 -21.929 404 H LYS 51 H LYS 51 -5.510 -5.841 -23.268 405 HA LYS 51 HA LYS 51 -3.693 -7.523 -24.847 406 HB2 LYS 51 HB2 LYS 51 -5.987 -7.599 -25.942 407 HB3 LYS 51 HB3 LYS 51 -5.883 -5.862 -26.183 408 HG2 LYS 51 HG2 LYS 51 -5.342 -7.029 -28.248 409 HG3 LYS 51 HG3 LYS 51 -3.908 -6.185 -27.650 410 HD2 LYS 51 HD2 LYS 51 -2.966 -8.267 -26.808 411 HD3 LYS 51 HD3 LYS 51 -4.454 -9.146 -27.177 412 HE2 LYS 51 HE2 LYS 51 -2.625 -7.860 -29.241 413 HE3 LYS 51 HE3 LYS 51 -2.650 -9.575 -28.833 414 HZ1 LYS 51 HZ1 LYS 51 -4.976 -9.644 -29.572 415 HZ2 LYS 51 HZ2 LYS 51 -3.927 -9.183 -30.814 416 HZ3 LYS 51 HZ3 LYS 51 -4.882 -8.023 -30.037 417 H THR 52 H THR 52 -5.121 -4.204 -25.020 418 HA THR 52 HA THR 52 -2.460 -3.148 -25.774 419 HB THR 52 HB THR 52 -3.677 -1.224 -26.765 420 HG1 THR 52 HG1 THR 52 -5.788 -0.958 -26.482 421 HG21 THR 52 HG21 THR 52 -3.269 -3.217 -28.191 422 HG22 THR 52 HG22 THR 52 -4.773 -2.406 -28.634 423 HG23 THR 52 HG23 THR 52 -4.819 -3.895 -27.685 424 H GLU 53 H GLU 53 -3.785 -3.471 -22.896 425 HA GLU 53 HA GLU 53 -2.929 -0.774 -21.948 426 HB2 GLU 53 HB2 GLU 53 -5.033 -2.648 -20.772 427 HB3 GLU 53 HB3 GLU 53 -4.416 -1.226 -19.934 428 HG2 GLU 53 HG2 GLU 53 -5.358 0.261 -21.581 429 HG3 GLU 53 HG3 GLU 53 -5.776 -1.084 -22.645 430 H GLN 54 H GLN 54 -0.736 -1.472 -21.827 431 HA GLN 54 HA GLN 54 -0.131 -3.129 -19.437 432 HB2 GLN 54 HB2 GLN 54 1.832 -4.064 -20.497 433 HB3 GLN 54 HB3 GLN 54 0.443 -4.384 -21.516 434 HG2 GLN 54 HG2 GLN 54 2.347 -2.102 -22.095 435 HG3 GLN 54 HG3 GLN 54 2.677 -3.740 -22.636 436 HE21 GLN 54 HE21 GLN 54 2.674 -3.028 -24.787 437 HE22 GLN 54 HE22 GLN 54 1.219 -2.644 -25.632 438 H ARG 55 H ARG 55 0.855 -1.967 -17.875 439 HA ARG 55 HA ARG 55 2.170 0.610 -18.574 440 HB2 ARG 55 HB2 ARG 55 -0.046 0.083 -16.567 441 HB3 ARG 55 HB3 ARG 55 1.087 1.392 -16.277 442 HG2 ARG 55 HG2 ARG 55 -0.841 2.358 -17.290 443 HG3 ARG 55 HG3 ARG 55 0.438 2.379 -18.495 444 HD2 ARG 55 HD2 ARG 55 -0.649 0.218 -19.408 445 HD3 ARG 55 HD3 ARG 55 -2.032 0.635 -18.402 446 HE ARG 55 HE ARG 55 -2.267 2.680 -19.689 447 HH11 ARG 55 HH11 ARG 55 -0.163 0.331 -21.124 448 HH12 ARG 55 HH12 ARG 55 -0.324 1.014 -22.699 449 HH21 ARG 55 HH21 ARG 55 -2.442 3.517 -21.711 450 HH22 ARG 55 HH22 ARG 55 -1.596 2.782 -23.025 451 H GLN 56 H GLN 56 4.157 0.860 -17.629 452 HA GLN 56 HA GLN 56 5.088 -1.104 -15.663 453 HB2 GLN 56 HB2 GLN 56 6.619 1.125 -17.064 454 HB3 GLN 56 HB3 GLN 56 7.324 -0.112 -16.023 455 HG2 GLN 56 HG2 GLN 56 6.373 -1.819 -17.702 456 HG3 GLN 56 HG3 GLN 56 6.102 -0.442 -18.770 457 HE21 GLN 56 HE21 GLN 56 8.493 -2.504 -17.295 458 HE22 GLN 56 HE22 GLN 56 9.841 -1.957 -18.230 459 H ALA 57 H ALA 57 5.809 -0.655 -13.617 460 HA ALA 57 HA ALA 57 5.906 2.100 -12.581 461 HB1 ALA 57 HB1 ALA 57 4.688 1.503 -10.531 462 HB2 ALA 57 HB2 ALA 57 4.411 -0.130 -11.147 463 HB3 ALA 57 HB3 ALA 57 3.660 1.255 -11.945 464 H GLY 58 H GLY 58 7.782 2.396 -11.524 465 HA2 GLY 58 HA2 GLY 58 9.541 0.075 -11.044 466 HA3 GLY 58 HA3 GLY 58 10.031 1.751 -11.227 467 H ILE 59 H ILE 59 10.169 -0.563 -9.059 468 HA ILE 59 HA ILE 59 9.268 0.636 -6.634 469 HB ILE 59 HB ILE 59 11.503 -1.428 -7.016 470 HG12 ILE 59 HG12 ILE 59 9.727 -3.005 -5.951 471 HG13 ILE 59 HG13 ILE 59 8.553 -1.746 -6.300 472 HG21 ILE 59 HG21 ILE 59 11.355 -1.856 -4.574 473 HG22 ILE 59 HG22 ILE 59 10.187 -0.544 -4.409 474 HG23 ILE 59 HG23 ILE 59 11.844 -0.188 -4.904 475 HD11 ILE 59 HD11 ILE 59 8.506 -3.508 -7.953 476 HD12 ILE 59 HD12 ILE 59 10.208 -3.238 -8.335 477 HD13 ILE 59 HD13 ILE 59 9.013 -1.986 -8.684 478 H VAL 60 H VAL 60 10.087 2.378 -5.615 479 HA VAL 60 HA VAL 60 12.472 3.726 -6.536 480 HB VAL 60 HB VAL 60 10.691 4.416 -4.157 481 HG11 VAL 60 HG11 VAL 60 12.857 5.594 -4.079 482 HG12 VAL 60 HG12 VAL 60 11.545 6.725 -4.409 483 HG13 VAL 60 HG13 VAL 60 12.603 6.200 -5.720 484 HG21 VAL 60 HG21 VAL 60 9.308 4.302 -6.189 485 HG22 VAL 60 HG22 VAL 60 10.412 5.395 -7.027 486 HG23 VAL 60 HG23 VAL 60 9.476 5.976 -5.649 487 H ALA 61 H ALA 61 11.398 2.206 -3.492 488 HA ALA 61 HA ALA 61 14.048 1.301 -2.785 489 HB1 ALA 61 HB1 ALA 61 12.733 3.393 -1.008 490 HB2 ALA 61 HB2 ALA 61 14.172 3.643 -1.997 491 HB3 ALA 61 HB3 ALA 61 14.222 2.510 -0.645 492 H ILE 62 H ILE 62 14.026 -0.187 -1.023 493 HA ILE 62 HA ILE 62 11.614 -0.894 0.389 494 HB ILE 62 HB ILE 62 11.095 -2.041 -1.724 495 HG12 ILE 62 HG12 ILE 62 11.928 -4.026 0.459 496 HG13 ILE 62 HG13 ILE 62 10.393 -3.173 0.364 497 HG21 ILE 62 HG21 ILE 62 12.525 -3.813 -2.677 498 HG22 ILE 62 HG22 ILE 62 13.755 -3.491 -1.452 499 HG23 ILE 62 HG23 ILE 62 13.356 -2.255 -2.648 500 HD11 ILE 62 HD11 ILE 62 9.861 -4.410 -1.683 501 HD12 ILE 62 HD12 ILE 62 10.148 -5.463 -0.300 502 HD13 ILE 62 HD13 ILE 62 11.390 -5.281 -1.538 503 H ARG 63 H ARG 63 11.992 -2.320 2.139 504 HA ARG 63 HA ARG 63 14.546 -3.643 2.526 505 HB2 ARG 63 HB2 ARG 63 15.086 -1.341 3.267 506 HB3 ARG 63 HB3 ARG 63 13.754 -1.383 4.416 507 HG2 ARG 63 HG2 ARG 63 14.889 -3.212 5.650 508 HG3 ARG 63 HG3 ARG 63 16.224 -3.155 4.493 509 HD2 ARG 63 HD2 ARG 63 16.664 -0.801 5.161 510 HD3 ARG 63 HD3 ARG 63 15.369 -0.913 6.359 511 HE ARG 63 HE ARG 63 17.045 -2.990 6.963 512 HH11 ARG 63 HH11 ARG 63 17.534 0.426 6.671 513 HH12 ARG 63 HH12 ARG 63 18.822 0.433 7.824 514 HH21 ARG 63 HH21 ARG 63 18.672 -2.949 8.421 515 HH22 ARG 63 HH22 ARG 63 19.464 -1.458 8.794 516 H ALA 64 H ALA 64 13.669 -5.582 2.940 517 HA ALA 64 HA ALA 64 12.534 -7.309 3.826 518 HB1 ALA 64 HB1 ALA 64 12.296 -7.391 6.262 519 HB2 ALA 64 HB2 ALA 64 12.525 -5.644 6.362 520 HB3 ALA 64 HB3 ALA 64 13.849 -6.675 5.817 521 H TYR 65 H TYR 65 10.802 -4.934 5.810 522 HA TYR 65 HA TYR 65 8.357 -5.016 4.235 523 HB2 TYR 65 HB2 TYR 65 6.942 -5.984 5.929 524 HB3 TYR 65 HB3 TYR 65 8.290 -7.087 5.716 525 HD1 TYR 65 HD2 TYR 65 10.394 -6.365 7.452 526 HD2 TYR 65 HD1 TYR 65 6.221 -5.783 8.138 527 HE1 TYR 65 HE2 TYR 65 10.799 -6.296 9.879 528 HE2 TYR 65 HE1 TYR 65 6.620 -5.707 10.548 529 HH TYR 65 HH TYR 65 9.702 -5.401 11.926 530 H SER 66 H SER 66 10.526 -3.374 6.064 531 HA SER 66 HA SER 66 8.901 -1.735 7.774 532 HB2 SER 66 HB2 SER 66 11.813 -1.439 6.928 533 HB3 SER 66 HB3 SER 66 11.032 -0.546 8.245 534 HG SER 66 HG SER 66 10.625 -2.637 9.226 535 H PHE 67 H PHE 67 9.612 -1.588 4.439 536 HA PHE 67 HA PHE 67 7.962 0.542 3.877 537 HB2 PHE 67 HB2 PHE 67 9.464 2.352 3.069 538 HB3 PHE 67 HB3 PHE 67 9.596 2.114 4.803 539 HD1 PHE 67 HD1 PHE 67 11.356 1.669 1.552 540 HD2 PHE 67 HD2 PHE 67 11.710 1.474 5.812 541 HE1 PHE 67 HE1 PHE 67 13.798 1.594 1.352 542 HE2 PHE 67 HE2 PHE 67 14.157 1.403 5.599 543 HZ PHE 67 HZ PHE 67 15.202 1.467 3.370 544 H ILE 68 H ILE 68 7.466 0.626 1.721 545 HA ILE 68 HA ILE 68 9.433 -0.075 -0.308 546 HB ILE 68 HB ILE 68 8.311 -2.269 0.106 547 HG12 ILE 68 HG12 ILE 68 7.588 -1.043 -2.601 548 HG13 ILE 68 HG13 ILE 68 9.153 -1.730 -2.175 549 HG21 ILE 68 HG21 ILE 68 6.133 -1.484 0.899 550 HG22 ILE 68 HG22 ILE 68 5.921 -2.608 -0.444 551 HG23 ILE 68 HG23 ILE 68 5.743 -0.870 -0.710 552 HD11 ILE 68 HD11 ILE 68 6.550 -3.241 -2.379 553 HD12 ILE 68 HD12 ILE 68 8.115 -3.937 -1.952 554 HD13 ILE 68 HD13 ILE 68 7.865 -3.244 -3.554 555 H ARG 69 H ARG 69 9.104 1.093 -2.236 556 HA ARG 69 HA ARG 69 6.687 2.826 -2.394 557 HB2 ARG 69 HB2 ARG 69 9.536 3.721 -3.026 558 HB3 ARG 69 HB3 ARG 69 8.088 4.688 -3.238 559 HG2 ARG 69 HG2 ARG 69 8.838 5.571 -1.258 560 HG3 ARG 69 HG3 ARG 69 7.823 4.280 -0.624 561 HD2 ARG 69 HD2 ARG 69 9.856 2.846 -0.393 562 HD3 ARG 69 HD3 ARG 69 10.843 4.207 -0.953 563 HE ARG 69 HE ARG 69 9.127 4.521 1.414 564 HH11 ARG 69 HH11 ARG 69 12.364 4.450 0.160 565 HH12 ARG 69 HH12 ARG 69 13.035 5.039 1.636 566 HH21 ARG 69 HH21 ARG 69 10.012 5.285 3.236 567 HH22 ARG 69 HH22 ARG 69 11.727 5.494 3.355 568 H PHE 70 H PHE 70 5.892 3.243 -4.456 569 HA PHE 70 HA PHE 70 7.329 2.143 -6.824 570 HB2 PHE 70 HB2 PHE 70 4.329 2.050 -6.252 571 HB3 PHE 70 HB3 PHE 70 5.026 1.724 -7.833 572 HD1 PHE 70 HD2 PHE 70 5.079 0.531 -4.286 573 HD2 PHE 70 HD1 PHE 70 5.699 -0.471 -8.402 574 HE1 PHE 70 HE2 PHE 70 5.334 -1.830 -3.681 575 HE2 PHE 70 HE1 PHE 70 5.933 -2.839 -7.779 576 HZ PHE 70 HZ PHE 70 5.744 -3.516 -5.421 577 H HIS 71 H HIS 71 7.032 3.322 -8.794 578 HA HIS 71 HA HIS 71 5.810 6.011 -8.604 579 HB2 HIS 71 HB2 HIS 71 8.278 6.190 -8.167 580 HB3 HIS 71 HB3 HIS 71 8.593 5.480 -9.746 581 HD1 HIS 71 HD1 HIS 71 8.377 7.027 -11.795 582 HD2 HIS 71 HD2 HIS 71 7.266 8.855 -8.233 583 HE1 HIS 71 HE1 HIS 71 8.079 9.450 -12.352 584 HE2 HIS 71 HE2 HIS 71 7.563 10.556 -10.154 585 H TRP 72 H TRP 72 4.881 6.778 -10.460 586 HA TRP 72 HA TRP 72 4.083 5.181 -12.604 587 HB2 TRP 72 HB2 TRP 72 4.175 8.172 -12.127 588 HB3 TRP 72 HB3 TRP 72 3.700 7.570 -13.707 589 HD1 TRP 72 HD1 TRP 72 1.209 7.368 -13.998 590 HE1 TRP 72 HE1 TRP 72 -0.844 7.048 -12.509 591 HE3 TRP 72 HE3 TRP 72 3.555 6.859 -9.477 592 HZ2 TRP 72 HZ2 TRP 72 -1.420 6.636 -9.775 593 HZ3 TRP 72 HZ3 TRP 72 2.178 6.511 -7.472 594 HH2 TRP 72 HH2 TRP 72 -0.260 6.402 -7.614 595 H LEU 73 H LEU 73 5.574 4.172 -13.965 596 HA LEU 73 HA LEU 73 7.567 5.788 -15.405 597 HB2 LEU 73 HB2 LEU 73 7.019 2.841 -15.109 598 HB3 LEU 73 HB3 LEU 73 7.806 3.361 -16.585 599 HG LEU 73 HG LEU 73 9.404 2.567 -14.864 600 HD11 LEU 73 HD11 LEU 73 9.740 5.510 -15.509 601 HD12 LEU 73 HD12 LEU 73 10.163 4.159 -16.564 602 HD13 LEU 73 HD13 LEU 73 11.022 4.386 -15.044 603 HD21 LEU 73 HD21 LEU 73 8.548 4.970 -13.218 604 HD22 LEU 73 HD22 LEU 73 9.891 3.881 -12.856 605 HD23 LEU 73 HD23 LEU 73 8.238 3.276 -12.829 606 H ASP 74 H ASP 74 4.566 3.942 -16.066 607 HA ASP 74 HA ASP 74 4.290 5.387 -18.650 608 HB2 ASP 74 HB2 ASP 74 4.585 2.804 -18.685 609 HB3 ASP 74 HB3 ASP 74 2.989 2.712 -17.960 610 H ASP 75 H ASP 75 1.404 3.821 -17.940 611 HA ASP 75 HA ASP 75 -0.681 4.491 -17.458 612 HB2 ASP 75 HB2 ASP 75 0.360 4.215 -15.164 613 HB3 ASP 75 HB3 ASP 75 0.587 5.956 -15.117 614 H GLU 76 H GLU 76 0.599 6.054 -19.398 615 HA GLU 76 HA GLU 76 0.547 7.953 -20.616 616 HB2 GLU 76 HB2 GLU 76 -1.956 8.405 -18.981 617 HB3 GLU 76 HB3 GLU 76 -1.400 9.646 -20.090 618 HG2 GLU 76 HG2 GLU 76 -3.122 8.309 -21.133 619 HG3 GLU 76 HG3 GLU 76 -1.584 8.093 -21.963 620 H ASN 77 H ASN 77 -0.465 9.330 -17.474 621 HA ASN 77 HA ASN 77 1.661 11.375 -17.754 622 HB2 ASN 77 HB2 ASN 77 -0.892 11.557 -16.088 623 HB3 ASN 77 HB3 ASN 77 0.254 12.857 -16.415 624 HD21 ASN 77 HD21 ASN 77 -2.357 10.966 -17.685 625 HD22 ASN 77 HD22 ASN 77 -2.622 11.907 -19.107 626 H GLU 78 H GLU 78 3.254 11.473 -16.243 627 HA GLU 78 HA GLU 78 3.455 9.633 -14.062 628 HB2 GLU 78 HB2 GLU 78 5.579 10.886 -13.519 629 HB3 GLU 78 HB3 GLU 78 5.488 10.275 -15.166 630 HG2 GLU 78 HG2 GLU 78 4.875 12.549 -15.961 631 HG3 GLU 78 HG3 GLU 78 5.012 13.152 -14.313 632 H ARG 79 H ARG 79 2.061 9.837 -12.375 633 HA ARG 79 HA ARG 79 1.047 12.445 -11.567 634 HB2 ARG 79 HB2 ARG 79 0.295 9.642 -10.650 635 HB3 ARG 79 HB3 ARG 79 -0.535 11.117 -10.158 636 HG2 ARG 79 HG2 ARG 79 -1.202 11.523 -12.511 637 HG3 ARG 79 HG3 ARG 79 -0.365 10.047 -13.003 638 HD2 ARG 79 HD2 ARG 79 -1.901 8.696 -11.641 639 HD3 ARG 79 HD3 ARG 79 -2.705 10.160 -11.060 640 HE ARG 79 HE ARG 79 -2.934 10.298 -13.782 641 HH11 ARG 79 HH11 ARG 79 -3.852 7.880 -11.476 642 HH12 ARG 79 HH12 ARG 79 -5.235 7.398 -12.383 643 HH21 ARG 79 HH21 ARG 79 -4.685 9.658 -14.919 644 HH22 ARG 79 HH22 ARG 79 -5.708 8.400 -14.324 645 H ASP 80 H ASP 80 2.073 9.665 -9.516 646 HA ASP 80 HA ASP 80 3.303 11.540 -7.571 647 HB2 ASP 80 HB2 ASP 80 1.175 9.440 -6.918 648 HB3 ASP 80 HB3 ASP 80 1.999 10.456 -5.739 649 H TYR 81 H TYR 81 3.911 9.838 -5.525 650 HA TYR 81 HA TYR 81 4.480 7.125 -6.514 651 HB2 TYR 81 HB2 TYR 81 6.614 6.931 -5.466 652 HB3 TYR 81 HB3 TYR 81 6.682 8.474 -6.289 653 HD1 TYR 81 HD1 TYR 81 6.607 6.809 -2.976 654 HD2 TYR 81 HD2 TYR 81 6.831 10.585 -4.987 655 HE1 TYR 81 HE1 TYR 81 7.300 7.878 -0.875 656 HE2 TYR 81 HE2 TYR 81 7.535 11.651 -2.885 657 HH TYR 81 HH TYR 81 8.495 9.864 -0.126 658 H PHE 82 H PHE 82 3.951 5.494 -4.977 659 HA PHE 82 HA PHE 82 2.723 6.449 -2.446 660 HB2 PHE 82 HB2 PHE 82 1.083 4.578 -2.593 661 HB3 PHE 82 HB3 PHE 82 0.926 5.739 -3.899 662 HD1 PHE 82 HD2 PHE 82 1.657 5.106 -6.230 663 HD2 PHE 82 HD1 PHE 82 1.573 2.247 -3.052 664 HE1 PHE 82 HE2 PHE 82 1.684 3.274 -7.872 665 HE2 PHE 82 HE1 PHE 82 1.602 0.421 -4.697 666 HZ PHE 82 HZ PHE 82 1.654 0.931 -7.108 667 H GLU 83 H GLU 83 3.404 5.614 -0.625 668 HA GLU 83 HA GLU 83 5.324 3.361 -0.602 669 HB2 GLU 83 HB2 GLU 83 6.272 5.496 0.180 670 HB3 GLU 83 HB3 GLU 83 4.941 5.704 1.308 671 HG2 GLU 83 HG2 GLU 83 5.776 3.544 2.445 672 HG3 GLU 83 HG3 GLU 83 7.227 3.722 1.461 673 H ILE 84 H ILE 84 4.919 1.608 0.626 674 HA ILE 84 HA ILE 84 2.772 1.658 2.664 675 HB ILE 84 HB ILE 84 3.479 -0.774 0.938 676 HG12 ILE 84 HG12 ILE 84 0.948 -0.460 0.203 677 HG13 ILE 84 HG13 ILE 84 1.180 1.208 0.694 678 HG21 ILE 84 HG21 ILE 84 1.565 -1.856 2.064 679 HG22 ILE 84 HG22 ILE 84 1.327 -0.418 3.059 680 HG23 ILE 84 HG23 ILE 84 2.807 -1.369 3.219 681 HD11 ILE 84 HD11 ILE 84 1.443 0.872 -1.700 682 HD12 ILE 84 HD12 ILE 84 2.770 -0.254 -1.411 683 HD13 ILE 84 HD13 ILE 84 2.939 1.449 -0.966 684 H LYS 85 H LYS 85 3.720 1.469 4.586 685 HA LYS 85 HA LYS 85 6.027 -0.361 4.971 686 HB2 LYS 85 HB2 LYS 85 6.500 1.183 7.018 687 HB3 LYS 85 HB3 LYS 85 6.926 1.781 5.422 688 HG2 LYS 85 HG2 LYS 85 4.917 3.150 5.345 689 HG3 LYS 85 HG3 LYS 85 4.381 2.509 6.897 690 HD2 LYS 85 HD2 LYS 85 6.938 4.111 6.510 691 HD3 LYS 85 HD3 LYS 85 5.389 4.822 6.969 692 HE2 LYS 85 HE2 LYS 85 5.415 3.227 8.978 693 HE3 LYS 85 HE3 LYS 85 7.105 2.900 8.568 694 HZ1 LYS 85 HZ1 LYS 85 5.951 5.567 9.175 695 HZ2 LYS 85 HZ2 LYS 85 7.578 5.247 8.824 696 HZ3 LYS 85 HZ3 LYS 85 6.882 4.633 10.232 697 H MET 86 H MET 86 5.964 -1.687 6.831 698 HA MET 86 HA MET 86 3.629 -1.594 8.580 699 HB2 MET 86 HB2 MET 86 3.224 -4.069 8.317 700 HB3 MET 86 HB3 MET 86 2.791 -3.113 6.921 701 HG2 MET 86 HG2 MET 86 5.313 -3.862 6.218 702 HG3 MET 86 HG3 MET 86 4.819 -5.250 7.180 703 HE1 MET 86 HE1 MET 86 1.507 -4.862 6.427 704 HE2 MET 86 HE2 MET 86 2.263 -6.443 6.638 705 HE3 MET 86 HE3 MET 86 1.384 -6.076 5.155 706 H SER 87 H SER 87 3.963 -2.538 10.585 707 HA SER 87 HA SER 87 6.700 -3.372 11.309 708 HB2 SER 87 HB2 SER 87 5.288 -0.958 12.541 709 HB3 SER 87 HB3 SER 87 6.801 -1.656 13.128 710 HG SER 87 HG SER 87 7.045 -1.162 10.508 711 H TYR 88 H TYR 88 6.831 -4.361 13.432 712 HA TYR 88 HA TYR 88 4.220 -5.476 14.333 713 HB2 TYR 88 HB2 TYR 88 5.625 -7.140 13.215 714 HB3 TYR 88 HB3 TYR 88 6.982 -6.763 14.272 715 HD1 TYR 88 HD1 TYR 88 3.364 -7.773 14.604 716 HD2 TYR 88 HD2 TYR 88 7.357 -8.306 16.028 717 HE1 TYR 88 HE1 TYR 88 2.581 -9.469 16.180 718 HE2 TYR 88 HE2 TYR 88 6.559 -10.016 17.602 719 HH TYR 88 HH TYR 88 3.413 -11.348 17.417 720 H ASN 89 H ASN 89 3.655 -5.294 16.430 721 HA ASN 89 HA ASN 89 5.662 -4.485 18.460 722 HB2 ASN 89 HB2 ASN 89 3.674 -3.951 19.916 723 HB3 ASN 89 HB3 ASN 89 3.782 -2.961 18.471 724 HD21 ASN 89 HD21 ASN 89 2.164 -3.103 16.937 725 HD22 ASN 89 HD22 ASN 89 0.713 -4.002 17.186 726 H GLU 90 H GLU 90 6.335 -5.947 19.919 727 HA GLU 90 HA GLU 90 5.165 -8.613 20.110 728 HB2 GLU 90 HB2 GLU 90 7.551 -7.362 21.540 729 HB3 GLU 90 HB3 GLU 90 7.089 -9.063 21.646 730 HG2 GLU 90 HG2 GLU 90 7.447 -9.290 19.199 731 HG3 GLU 90 HG3 GLU 90 7.964 -7.602 19.130 732 H LEU 91 H LEU 91 4.224 -5.787 21.415 733 HA LEU 91 HA LEU 91 3.788 -6.445 24.178 734 HB2 LEU 91 HB2 LEU 91 2.584 -4.245 22.439 735 HB3 LEU 91 HB3 LEU 91 2.421 -4.353 24.188 736 HG LEU 91 HG LEU 91 5.030 -3.904 22.675 737 HD11 LEU 91 HD11 LEU 91 3.429 -1.986 24.398 738 HD12 LEU 91 HD12 LEU 91 3.586 -1.930 22.640 739 HD13 LEU 91 HD13 LEU 91 4.999 -1.658 23.655 740 HD21 LEU 91 HD21 LEU 91 5.434 -5.215 24.706 741 HD22 LEU 91 HD22 LEU 91 4.547 -4.036 25.674 742 HD23 LEU 91 HD23 LEU 91 6.062 -3.577 24.895 743 H THR 92 H THR 92 1.625 -6.102 21.326 744 HA THR 92 HA THR 92 -0.361 -7.866 22.643 745 HB THR 92 HB THR 92 -1.274 -5.665 22.928 746 HG1 THR 92 HG1 THR 92 -2.707 -6.456 20.632 747 HG21 THR 92 HG21 THR 92 -1.669 -4.065 21.104 748 HG22 THR 92 HG22 THR 92 -0.894 -5.161 19.956 749 HG23 THR 92 HG23 THR 92 0.052 -4.426 21.255 750 H GLY 93 H GLY 93 1.678 -7.597 20.080 751 HA2 GLY 93 HA2 GLY 93 2.074 -9.240 18.519 752 HA3 GLY 93 HA3 GLY 93 0.544 -9.985 18.933 753 H ASP 94 H ASP 94 0.510 -6.626 17.964 754 HA ASP 94 HA ASP 94 -0.955 -7.442 15.514 755 HB2 ASP 94 HB2 ASP 94 -1.093 -4.794 17.017 756 HB3 ASP 94 HB3 ASP 94 -2.117 -5.285 15.668 757 H TYR 95 H TYR 95 -0.888 -5.720 13.732 758 HA TYR 95 HA TYR 95 1.889 -4.803 13.268 759 HB2 TYR 95 HB2 TYR 95 -0.089 -6.182 11.500 760 HB3 TYR 95 HB3 TYR 95 0.768 -4.856 10.728 761 HD1 TYR 95 HD1 TYR 95 1.451 -7.957 12.764 762 HD2 TYR 95 HD2 TYR 95 2.872 -5.275 9.752 763 HE1 TYR 95 HE1 TYR 95 3.384 -9.425 12.365 764 HE2 TYR 95 HE2 TYR 95 4.799 -6.737 9.352 765 HH TYR 95 HH TYR 95 6.115 -8.485 10.689 766 H VAL 96 H VAL 96 2.235 -2.698 13.157 767 HA VAL 96 HA VAL 96 0.197 -0.688 12.736 768 HB VAL 96 HB VAL 96 3.243 -0.401 12.865 769 HG11 VAL 96 HG11 VAL 96 2.807 1.984 13.378 770 HG12 VAL 96 HG12 VAL 96 1.077 1.717 13.183 771 HG13 VAL 96 HG13 VAL 96 2.153 1.550 11.794 772 HG21 VAL 96 HG21 VAL 96 2.937 0.254 15.237 773 HG22 VAL 96 HG22 VAL 96 2.390 -1.400 14.954 774 HG23 VAL 96 HG23 VAL 96 1.211 -0.095 15.115 775 H LEU 97 H LEU 97 -0.600 -0.787 10.659 776 HA LEU 97 HA LEU 97 1.219 -0.983 8.340 777 HB2 LEU 97 HB2 LEU 97 -0.711 -2.545 8.532 778 HB3 LEU 97 HB3 LEU 97 -1.814 -1.190 8.485 779 HG LEU 97 HG LEU 97 -1.022 -0.645 6.185 780 HD11 LEU 97 HD11 LEU 97 0.582 -3.207 6.368 781 HD12 LEU 97 HD12 LEU 97 1.239 -1.570 6.297 782 HD13 LEU 97 HD13 LEU 97 0.356 -2.223 4.918 783 HD21 LEU 97 HD21 LEU 97 -3.037 -2.000 6.474 784 HD22 LEU 97 HD22 LEU 97 -2.065 -3.474 6.492 785 HD23 LEU 97 HD23 LEU 97 -2.153 -2.491 5.028 786 H GLU 98 H GLU 98 1.840 0.930 7.491 787 HA GLU 98 HA GLU 98 0.099 3.311 7.822 788 HB2 GLU 98 HB2 GLU 98 2.217 3.086 9.353 789 HB3 GLU 98 HB3 GLU 98 3.139 3.447 7.901 790 HG2 GLU 98 HG2 GLU 98 1.844 5.589 7.685 791 HG3 GLU 98 HG3 GLU 98 1.063 5.208 9.223 792 H ILE 99 H ILE 99 -0.649 3.750 5.797 793 HA ILE 99 HA ILE 99 1.049 3.335 3.418 794 HB ILE 99 HB ILE 99 -1.950 3.818 3.743 795 HG12 ILE 99 HG12 ILE 99 -2.137 1.627 2.473 796 HG13 ILE 99 HG13 ILE 99 -0.390 1.482 2.540 797 HG21 ILE 99 HG21 ILE 99 -2.183 3.701 1.255 798 HG22 ILE 99 HG22 ILE 99 -0.424 3.749 1.103 799 HG23 ILE 99 HG23 ILE 99 -1.289 5.133 1.777 800 HD11 ILE 99 HD11 ILE 99 -1.541 0.095 4.166 801 HD12 ILE 99 HD12 ILE 99 -2.222 1.539 4.922 802 HD13 ILE 99 HD13 ILE 99 -0.474 1.272 4.929 803 H THR 100 H THR 100 2.280 5.039 2.835 804 HA THR 100 HA THR 100 1.464 7.818 3.303 805 HB THR 100 HB THR 100 4.032 6.590 2.225 806 HG1 THR 100 HG1 THR 100 4.549 6.571 4.270 807 HG21 THR 100 HG21 THR 100 3.737 8.799 1.161 808 HG22 THR 100 HG22 THR 100 5.047 8.832 2.344 809 HG23 THR 100 HG23 THR 100 3.479 9.530 2.748 810 H ASP 101 H ASP 101 0.038 8.577 1.852 811 HA ASP 101 HA ASP 101 0.429 8.130 -1.055 812 HB2 ASP 101 HB2 ASP 101 -1.472 6.795 -0.081 813 HB3 ASP 101 HB3 ASP 101 -2.220 8.294 0.469 814 H PHE 102 H PHE 102 -0.450 9.885 -2.405 815 HA PHE 102 HA PHE 102 -0.564 12.549 -1.070 816 HB2 PHE 102 HB2 PHE 102 0.359 11.783 -3.881 817 HB3 PHE 102 HB3 PHE 102 0.110 13.442 -3.359 818 HD1 PHE 102 HD2 PHE 102 2.186 10.395 -2.763 819 HD2 PHE 102 HD1 PHE 102 1.821 14.618 -2.148 820 HE1 PHE 102 HE2 PHE 102 4.504 10.484 -1.948 821 HE2 PHE 102 HE1 PHE 102 4.146 14.693 -1.343 822 HZ PHE 102 HZ PHE 102 5.486 12.628 -1.241 823 H SER 103 H SER 103 -2.613 13.383 -1.047 824 HA SER 103 HA SER 103 -4.461 12.875 -3.318 825 HB2 SER 103 HB2 SER 103 -5.128 12.628 -0.352 826 HB3 SER 103 HB3 SER 103 -6.347 12.698 -1.628 827 HG SER 103 HG SER 103 -4.328 10.713 -1.302 828 H GLU 104 H GLU 104 -5.586 14.607 -4.013 829 HA GLU 104 HA GLU 104 -5.173 17.268 -3.149 830 HB2 GLU 104 HB2 GLU 104 -7.243 15.946 -4.944 831 HB3 GLU 104 HB3 GLU 104 -7.360 17.663 -4.579 832 HG2 GLU 104 HG2 GLU 104 -5.016 16.300 -5.948 833 HG3 GLU 104 HG3 GLU 104 -6.278 17.237 -6.748 834 H ALA 105 H ALA 105 -6.815 18.752 -2.148 835 HA ALA 105 HA ALA 105 -8.321 18.019 0.022 836 HB1 ALA 105 HB1 ALA 105 -9.062 20.210 -1.943 837 HB2 ALA 105 HB2 ALA 105 -7.897 20.359 -0.625 838 HB3 ALA 105 HB3 ALA 105 -9.604 20.094 -0.265 839 H ASP 106 H ASP 106 -9.361 17.922 -3.359 840 HA ASP 106 HA ASP 106 -12.086 17.265 -3.102 841 HB2 ASP 106 HB2 ASP 106 -10.139 16.456 -5.310 842 HB3 ASP 106 HB3 ASP 106 -11.901 16.478 -5.441 843 H GLU 107 H GLU 107 -9.211 15.250 -2.938 844 HA GLU 107 HA GLU 107 -10.713 12.713 -3.065 845 HB2 GLU 107 HB2 GLU 107 -7.699 13.187 -3.037 846 HB3 GLU 107 HB3 GLU 107 -8.526 11.675 -3.413 847 HG2 GLU 107 HG2 GLU 107 -9.456 12.682 -5.450 848 HG3 GLU 107 HG3 GLU 107 -8.669 14.214 -5.067 849 H ALA 108 H ALA 108 -9.065 14.796 -0.825 850 HA ALA 108 HA ALA 108 -7.946 12.962 0.992 851 HB1 ALA 108 HB1 ALA 108 -7.723 14.866 2.528 852 HB2 ALA 108 HB2 ALA 108 -8.847 15.814 1.544 853 HB3 ALA 108 HB3 ALA 108 -7.282 15.335 0.883 854 H ASP 109 H ASP 109 -11.133 14.564 1.009 855 HA ASP 109 HA ASP 109 -12.046 13.592 3.509 856 HB2 ASP 109 HB2 ASP 109 -13.066 15.509 2.321 857 HB3 ASP 109 HB3 ASP 109 -13.655 14.429 1.061 858 H ASP 110 H ASP 110 -12.105 12.148 0.264 859 HA ASP 110 HA ASP 110 -13.704 9.848 0.873 860 HB2 ASP 110 HB2 ASP 110 -11.596 10.270 -1.292 861 HB3 ASP 110 HB3 ASP 110 -12.691 8.887 -1.217 862 H LEU 111 H LEU 111 -10.184 10.432 0.877 863 HA LEU 111 HA LEU 111 -9.336 7.853 1.692 864 HB2 LEU 111 HB2 LEU 111 -8.101 10.602 1.738 865 HB3 LEU 111 HB3 LEU 111 -7.327 9.352 2.683 866 HG LEU 111 HG LEU 111 -6.247 9.635 0.482 867 HD11 LEU 111 HD11 LEU 111 -6.175 7.292 -0.209 868 HD12 LEU 111 HD12 LEU 111 -7.625 6.949 0.740 869 HD13 LEU 111 HD13 LEU 111 -6.136 7.446 1.547 870 HD21 LEU 111 HD21 LEU 111 -8.888 8.758 -0.741 871 HD22 LEU 111 HD22 LEU 111 -7.366 8.997 -1.609 872 HD23 LEU 111 HD23 LEU 111 -8.168 10.368 -0.848 873 H LYS 112 H LYS 112 -10.312 10.703 3.578 874 HA LYS 112 HA LYS 112 -9.844 9.557 6.168 875 HB2 LYS 112 HB2 LYS 112 -11.611 11.924 5.406 876 HB3 LYS 112 HB3 LYS 112 -11.121 11.499 7.045 877 HG2 LYS 112 HG2 LYS 112 -9.314 12.437 4.797 878 HG3 LYS 112 HG3 LYS 112 -9.783 13.353 6.227 879 HD2 LYS 112 HD2 LYS 112 -8.558 11.701 7.651 880 HD3 LYS 112 HD3 LYS 112 -8.059 10.839 6.189 881 HE2 LYS 112 HE2 LYS 112 -6.264 12.320 7.005 882 HE3 LYS 112 HE3 LYS 112 -6.834 12.842 5.422 883 HZ1 LYS 112 HZ1 LYS 112 -7.646 14.042 8.018 884 HZ2 LYS 112 HZ2 LYS 112 -8.141 14.562 6.487 885 HZ3 LYS 112 HZ3 LYS 112 -6.520 14.699 6.940 886 H GLU 113 H GLU 113 -12.613 9.631 3.995 887 HA GLU 113 HA GLU 113 -14.559 8.526 5.791 888 HB2 GLU 113 HB2 GLU 113 -15.011 9.769 3.609 889 HB3 GLU 113 HB3 GLU 113 -14.467 8.350 2.735 890 HG2 GLU 113 HG2 GLU 113 -16.806 8.251 4.657 891 HG3 GLU 113 HG3 GLU 113 -17.003 8.764 2.988 892 H LEU 114 H LEU 114 -12.273 7.149 3.445 893 HA LEU 114 HA LEU 114 -12.917 4.388 3.780 894 HB2 LEU 114 HB2 LEU 114 -11.704 5.376 1.811 895 HB3 LEU 114 HB3 LEU 114 -10.307 5.659 2.824 896 HG LEU 114 HG LEU 114 -11.331 2.820 2.450 897 HD11 LEU 114 HD11 LEU 114 -11.140 3.696 0.170 898 HD12 LEU 114 HD12 LEU 114 -9.878 2.510 0.496 899 HD13 LEU 114 HD13 LEU 114 -9.487 4.233 0.494 900 HD21 LEU 114 HD21 LEU 114 -9.560 3.138 4.135 901 HD22 LEU 114 HD22 LEU 114 -8.522 3.900 2.929 902 HD23 LEU 114 HD23 LEU 114 -8.958 2.197 2.771 903 H TRP 115 H TRP 115 -10.608 6.584 5.309 904 HA TRP 115 HA TRP 115 -9.216 4.863 7.030 905 HB2 TRP 115 HB2 TRP 115 -8.368 7.066 6.782 906 HB3 TRP 115 HB3 TRP 115 -9.924 7.814 7.079 907 HD1 TRP 115 HD1 TRP 115 -10.492 8.485 9.566 908 HE1 TRP 115 HE1 TRP 115 -9.144 8.486 11.749 909 HE3 TRP 115 HE3 TRP 115 -6.483 5.725 8.037 910 HZ2 TRP 115 HZ2 TRP 115 -6.696 7.472 12.705 911 HZ3 TRP 115 HZ3 TRP 115 -4.672 5.298 9.638 912 HH2 TRP 115 HH2 TRP 115 -4.769 6.152 11.927 913 H ASP 116 H ASP 116 -12.107 6.868 7.818 914 HA ASP 116 HA ASP 116 -12.621 5.813 10.366 915 HB2 ASP 116 HB2 ASP 116 -14.247 7.355 8.348 916 HB3 ASP 116 HB3 ASP 116 -15.081 6.679 9.735 917 H SER 117 H SER 117 -13.899 4.821 7.218 918 HA SER 117 HA SER 117 -15.721 2.844 8.079 919 HB2 SER 117 HB2 SER 117 -15.719 3.767 5.782 920 HB3 SER 117 HB3 SER 117 -14.172 2.994 5.454 921 HG SER 117 HG SER 117 -16.328 1.951 4.840 922 H GLN 118 H GLN 118 -12.304 2.597 7.109 923 HA GLN 118 HA GLN 118 -12.104 -0.237 7.258 924 HB2 GLN 118 HB2 GLN 118 -10.593 1.121 5.842 925 HB3 GLN 118 HB3 GLN 118 -9.888 1.856 7.273 926 HG2 GLN 118 HG2 GLN 118 -8.400 0.152 6.359 927 HG3 GLN 118 HG3 GLN 118 -8.961 -0.319 7.959 928 HE21 GLN 118 HE21 GLN 118 -10.380 -2.111 8.148 929 HE22 GLN 118 HE22 GLN 118 -10.622 -3.232 6.860 930 H VAL 119 H VAL 119 -11.122 2.352 9.536 931 HA VAL 119 HA VAL 119 -9.834 0.695 11.447 932 HB VAL 119 HB VAL 119 -11.058 3.472 11.738 933 HG11 VAL 119 HG11 VAL 119 -11.041 2.457 13.983 934 HG12 VAL 119 HG12 VAL 119 -9.792 3.698 13.875 935 HG13 VAL 119 HG13 VAL 119 -9.349 1.991 13.784 936 HG21 VAL 119 HG21 VAL 119 -9.102 3.341 10.227 937 HG22 VAL 119 HG22 VAL 119 -8.154 2.574 11.505 938 HG23 VAL 119 HG23 VAL 119 -8.701 4.243 11.692 939 H SER 120 H SER 120 -13.224 1.840 11.231 940 HA SER 120 HA SER 120 -14.250 0.632 13.574 941 HB2 SER 120 HB2 SER 120 -15.677 1.160 10.933 942 HB3 SER 120 HB3 SER 120 -16.480 0.789 12.467 943 HG SER 120 HG SER 120 -15.793 2.719 13.284 944 H LYS 121 H LYS 121 -13.844 -0.662 10.287 945 HA LYS 121 HA LYS 121 -14.982 -3.246 10.780 946 HB2 LYS 121 HB2 LYS 121 -13.121 -2.242 8.590 947 HB3 LYS 121 HB3 LYS 121 -13.844 -3.852 8.588 948 HG2 LYS 121 HG2 LYS 121 -16.061 -2.959 8.370 949 HG3 LYS 121 HG3 LYS 121 -15.497 -1.314 8.692 950 HD2 LYS 121 HD2 LYS 121 -14.223 -1.344 6.561 951 HD3 LYS 121 HD3 LYS 121 -14.819 -2.977 6.228 952 HE2 LYS 121 HE2 LYS 121 -17.113 -2.154 6.086 953 HE3 LYS 121 HE3 LYS 121 -16.607 -0.539 6.590 954 HZ1 LYS 121 HZ1 LYS 121 -16.961 -0.742 4.198 955 HZ2 LYS 121 HZ2 LYS 121 -15.717 -1.882 4.105 956 HZ3 LYS 121 HZ3 LYS 121 -15.374 -0.294 4.572 957 H LEU 122 H LEU 122 -11.707 -1.943 11.127 958 HA LEU 122 HA LEU 122 -10.320 -4.397 11.552 959 HB2 LEU 122 HB2 LEU 122 -9.675 -1.555 12.404 960 HB3 LEU 122 HB3 LEU 122 -8.582 -2.906 12.681 961 HG LEU 122 HG LEU 122 -9.509 -1.983 9.928 962 HD11 LEU 122 HD11 LEU 122 -6.852 -1.475 11.294 963 HD12 LEU 122 HD12 LEU 122 -8.110 -0.278 10.969 964 HD13 LEU 122 HD13 LEU 122 -7.270 -1.053 9.629 965 HD21 LEU 122 HD21 LEU 122 -7.376 -4.011 10.698 966 HD22 LEU 122 HD22 LEU 122 -7.737 -3.465 9.056 967 HD23 LEU 122 HD23 LEU 122 -8.943 -4.371 9.967 968 H ARG 123 H ARG 123 -12.123 -2.235 13.713 969 HA ARG 123 HA ARG 123 -11.695 -3.582 16.172 970 HB2 ARG 123 HB2 ARG 123 -14.215 -2.152 15.216 971 HB3 ARG 123 HB3 ARG 123 -13.846 -2.560 16.891 972 HG2 ARG 123 HG2 ARG 123 -12.165 -0.685 15.190 973 HG3 ARG 123 HG3 ARG 123 -13.452 -0.152 16.270 974 HD2 ARG 123 HD2 ARG 123 -12.231 -1.091 18.202 975 HD3 ARG 123 HD3 ARG 123 -10.955 -1.663 17.126 976 HE ARG 123 HE ARG 123 -10.131 0.479 16.959 977 HH11 ARG 123 HH11 ARG 123 -13.175 0.659 18.619 978 HH12 ARG 123 HH12 ARG 123 -12.919 2.296 19.101 979 HH21 ARG 123 HH21 ARG 123 -9.848 2.559 17.587 980 HH22 ARG 123 HH22 ARG 123 -11.059 3.358 18.524 981 H ARG 124 H ARG 124 -13.869 -4.269 13.468 982 HA ARG 124 HA ARG 124 -15.301 -6.427 14.793 983 HB2 ARG 124 HB2 ARG 124 -15.309 -5.965 11.788 984 HB3 ARG 124 HB3 ARG 124 -16.568 -6.672 12.792 985 HG2 ARG 124 HG2 ARG 124 -15.811 -3.750 12.538 986 HG3 ARG 124 HG3 ARG 124 -17.311 -4.523 12.030 987 HD2 ARG 124 HD2 ARG 124 -16.378 -4.105 14.892 988 HD3 ARG 124 HD3 ARG 124 -17.642 -3.200 14.058 989 HE ARG 124 HE ARG 124 -18.054 -6.077 14.269 990 HH11 ARG 124 HH11 ARG 124 -18.833 -2.973 15.587 991 HH12 ARG 124 HH12 ARG 124 -20.156 -3.591 16.509 992 HH21 ARG 124 HH21 ARG 124 -19.745 -6.827 15.447 993 HH22 ARG 124 HH22 ARG 124 -20.668 -5.742 16.428 994 H THR 125 H THR 125 -12.409 -6.109 12.902 995 HA THR 125 HA THR 125 -12.243 -8.532 11.507 996 HB THR 125 HB THR 125 -10.026 -6.687 12.492 997 HG1 THR 125 HG1 THR 125 -11.789 -6.305 10.663 998 HG21 THR 125 HG21 THR 125 -9.773 -8.930 10.450 999 HG22 THR 125 HG22 THR 125 -9.016 -8.898 12.045 1000 HG23 THR 125 HG23 THR 125 -8.540 -7.727 10.812 1001 H CYS 126 H CYS 126 -10.389 -7.733 14.496 1002 HA CYS 126 HA CYS 126 -9.505 -8.959 16.184 1003 HB2 CYS 126 HB2 CYS 126 -11.947 -9.271 16.633 1004 HB3 CYS 126 HB3 CYS 126 -11.897 -10.785 15.739 1005 HG CYS 126 HG CYS 126 -11.508 -10.394 18.884 1006 H GLY 127 H GLY 127 -8.569 -9.619 13.493 1007 HA2 GLY 127 HA2 GLY 127 -6.739 -11.620 13.835 1008 HA3 GLY 127 HA3 GLY 127 -8.163 -12.471 13.242 1009 H PHE 128 H PHE 128 -8.459 -12.561 11.068 1010 HA PHE 128 HA PHE 128 -6.972 -10.690 9.285 1011 HB2 PHE 128 HB2 PHE 128 -5.941 -12.949 9.276 1012 HB3 PHE 128 HB3 PHE 128 -7.502 -13.663 8.893 1013 HD1 PHE 128 HD2 PHE 128 -5.639 -10.732 7.394 1014 HD2 PHE 128 HD1 PHE 128 -7.385 -14.586 6.734 1015 HE1 PHE 128 HE2 PHE 128 -5.131 -10.568 4.993 1016 HE2 PHE 128 HE1 PHE 128 -6.863 -14.404 4.339 1017 HZ PHE 128 HZ PHE 128 -5.738 -12.398 3.467 1018 H LEU 129 H LEU 129 -8.357 -9.505 8.071 1019 HA LEU 129 HA LEU 129 -11.169 -10.309 7.858 1020 HB2 LEU 129 HB2 LEU 129 -10.656 -8.045 8.694 1021 HB3 LEU 129 HB3 LEU 129 -9.792 -7.676 7.214 1022 HG LEU 129 HG LEU 129 -11.913 -7.798 5.924 1023 HD11 LEU 129 HD11 LEU 129 -13.134 -9.437 7.262 1024 HD12 LEU 129 HD12 LEU 129 -14.087 -7.971 7.050 1025 HD13 LEU 129 HD13 LEU 129 -13.278 -8.280 8.590 1026 HD21 LEU 129 HD21 LEU 129 -12.953 -5.739 6.770 1027 HD22 LEU 129 HD22 LEU 129 -11.196 -5.621 6.807 1028 HD23 LEU 129 HD23 LEU 129 -12.091 -5.913 8.301 1029 H GLU 130 H GLU 130 -8.644 -9.000 5.656 1030 HA GLU 130 HA GLU 130 -8.251 -9.104 3.440 1031 HB2 GLU 130 HB2 GLU 130 -8.271 -11.568 3.762 1032 HB3 GLU 130 HB3 GLU 130 -10.000 -11.606 3.477 1033 HG2 GLU 130 HG2 GLU 130 -8.864 -12.399 1.499 1034 HG3 GLU 130 HG3 GLU 130 -9.612 -10.848 1.140 1035 H HIS 131 H HIS 131 -9.084 -8.432 1.419 1036 HA HIS 131 HA HIS 131 -11.661 -7.102 1.418 1037 HB2 HIS 131 HB2 HIS 131 -9.889 -7.525 -1.028 1038 HB3 HIS 131 HB3 HIS 131 -11.034 -6.223 -0.729 1039 HD1 HIS 131 HD1 HIS 131 -10.235 -4.441 1.160 1040 HD2 HIS 131 HD2 HIS 131 -7.309 -6.981 -0.350 1041 HE1 HIS 131 HE1 HIS 131 -8.043 -3.381 1.774 1042 HE2 HIS 131 HE2 HIS 131 -6.289 -4.888 0.771 1043 H HIS 132 H HIS 132 -13.551 -7.812 0.358 1044 HA HIS 132 HA HIS 132 -13.471 -10.467 -1.000 1045 HB2 HIS 132 HB2 HIS 132 -15.712 -9.301 0.706 1046 HB3 HIS 132 HB3 HIS 132 -15.814 -10.816 -0.188 1047 HD1 HIS 132 HD1 HIS 132 -14.532 -12.858 0.773 1048 HD2 HIS 132 HD2 HIS 132 -14.187 -9.422 3.094 1049 HE1 HIS 132 HE1 HIS 132 -13.539 -13.611 2.951 1050 HE2 HIS 132 HE2 HIS 132 -13.136 -11.492 4.244 1051 H HIS 133 H HIS 133 -13.767 -7.271 -1.704 1052 HA HIS 133 HA HIS 133 -15.470 -7.794 -4.085 1053 HB2 HIS 133 HB2 HIS 133 -15.291 -5.156 -2.554 1054 HB3 HIS 133 HB3 HIS 133 -16.238 -5.434 -4.009 1055 HD1 HIS 133 HD1 HIS 133 -17.045 -4.732 -0.828 1056 HD2 HIS 133 HD2 HIS 133 -17.916 -8.085 -3.119 1057 HE1 HIS 133 HE1 HIS 133 -19.105 -5.724 0.197 1058 HE2 HIS 133 HE2 HIS 133 -19.729 -7.614 -1.337 1059 H HIS 134 H HIS 134 -13.401 -8.377 -5.139 1060 HA HIS 134 HA HIS 134 -11.354 -6.338 -5.447 1061 HB2 HIS 134 HB2 HIS 134 -10.859 -8.822 -5.377 1062 HB3 HIS 134 HB3 HIS 134 -11.578 -8.963 -6.978 1063 HD1 HIS 134 HD1 HIS 134 -9.871 -8.858 -8.804 1064 HD2 HIS 134 HD2 HIS 134 -8.666 -6.749 -5.432 1065 HE1 HIS 134 HE1 HIS 134 -7.617 -7.907 -9.372 1066 HE2 HIS 134 HE2 HIS 134 -7.014 -6.475 -7.393 1067 H HIS 135 H HIS 135 -14.185 -7.298 -7.176 1068 HA HIS 135 HA HIS 135 -13.544 -6.016 -9.691 1069 HB2 HIS 135 HB2 HIS 135 -15.138 -7.980 -9.416 1070 HB3 HIS 135 HB3 HIS 135 -16.281 -6.885 -8.648 1071 HD1 HIS 135 HD1 HIS 135 -17.782 -5.552 -10.188 1072 HD2 HIS 135 HD2 HIS 135 -14.685 -7.420 -12.227 1073 HE1 HIS 135 HE1 HIS 135 -18.291 -5.225 -12.616 1074 HE2 HIS 135 HE2 HIS 135 -16.312 -6.190 -13.819 1075 H HIS 136 H HIS 136 -14.165 -4.714 -6.694 1076 HA HIS 136 HA HIS 136 -15.182 -2.170 -7.760 1077 HB2 HIS 136 HB2 HIS 136 -17.159 -3.462 -6.956 1078 HB3 HIS 136 HB3 HIS 136 -16.406 -3.634 -5.375 1079 HD1 HIS 136 HD1 HIS 136 -17.943 -1.017 -7.640 1080 HD2 HIS 136 HD2 HIS 136 -16.830 -1.503 -3.661 1081 HE1 HIS 136 HE1 HIS 136 -18.903 0.956 -6.427 1082 HE2 HIS 136 HE2 HIS 136 -18.082 0.730 -4.067 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -9.101 22.867 -5.314 2 H2 MET 1 H2 MET 1 -8.131 23.180 -3.972 3 H3 MET 1 H3 MET 1 -8.019 21.692 -4.769 4 HA MET 1 HA MET 1 -7.178 22.758 -6.741 5 HB2 MET 1 HB2 MET 1 -7.317 25.304 -5.074 6 HB3 MET 1 HB3 MET 1 -6.597 25.183 -6.681 7 HG2 MET 1 HG2 MET 1 -9.513 24.766 -5.974 8 HG3 MET 1 HG3 MET 1 -8.817 26.132 -6.852 9 HE1 MET 1 HE1 MET 1 -10.770 25.671 -8.700 10 HE2 MET 1 HE2 MET 1 -11.321 24.225 -7.851 11 HE3 MET 1 HE3 MET 1 -10.931 24.144 -9.569 12 H LYS 2 H LYS 2 -6.280 21.368 -4.265 13 HA LYS 2 HA LYS 2 -3.449 21.664 -4.781 14 HB2 LYS 2 HB2 LYS 2 -2.706 22.036 -2.481 15 HB3 LYS 2 HB3 LYS 2 -3.751 23.362 -2.974 16 HG2 LYS 2 HG2 LYS 2 -5.605 22.448 -1.668 17 HG3 LYS 2 HG3 LYS 2 -4.650 21.020 -1.261 18 HD2 LYS 2 HD2 LYS 2 -3.030 22.493 -0.042 19 HD3 LYS 2 HD3 LYS 2 -4.064 23.884 -0.389 20 HE2 LYS 2 HE2 LYS 2 -5.894 22.838 0.909 21 HE3 LYS 2 HE3 LYS 2 -4.867 21.437 1.234 22 HZ1 LYS 2 HZ1 LYS 2 -4.224 24.209 2.073 23 HZ2 LYS 2 HZ2 LYS 2 -3.393 22.798 2.505 24 HZ3 LYS 2 HZ3 LYS 2 -4.966 23.062 3.067 25 H LYS 3 H LYS 3 -2.395 19.713 -4.543 26 HA LYS 3 HA LYS 3 -3.667 17.342 -3.534 27 HB2 LYS 3 HB2 LYS 3 -0.779 17.974 -4.252 28 HB3 LYS 3 HB3 LYS 3 -1.262 16.399 -3.634 29 HG2 LYS 3 HG2 LYS 3 -2.406 17.644 -6.158 30 HG3 LYS 3 HG3 LYS 3 -1.016 16.547 -6.131 31 HD2 LYS 3 HD2 LYS 3 -2.577 14.856 -4.953 32 HD3 LYS 3 HD3 LYS 3 -3.913 15.938 -5.398 33 HE2 LYS 3 HE2 LYS 3 -1.999 14.505 -7.288 34 HE3 LYS 3 HE3 LYS 3 -3.718 14.171 -7.063 35 HZ1 LYS 3 HZ1 LYS 3 -3.386 15.449 -9.056 36 HZ2 LYS 3 HZ2 LYS 3 -2.525 16.636 -8.220 37 HZ3 LYS 3 HZ3 LYS 3 -4.181 16.422 -7.919 38 H GLU 4 H GLU 4 -2.663 16.020 -1.753 39 HA GLU 4 HA GLU 4 -1.301 17.361 0.418 40 HB2 GLU 4 HB2 GLU 4 -3.648 18.081 0.778 41 HB3 GLU 4 HB3 GLU 4 -4.185 16.401 0.755 42 HG2 GLU 4 HG2 GLU 4 -2.867 15.956 2.799 43 HG3 GLU 4 HG3 GLU 4 -2.325 17.633 2.814 44 H LYS 5 H LYS 5 0.013 15.885 1.348 45 HA LYS 5 HA LYS 5 -0.131 13.069 0.819 46 HB2 LYS 5 HB2 LYS 5 2.023 14.227 1.156 47 HB3 LYS 5 HB3 LYS 5 1.559 14.641 2.805 48 HG2 LYS 5 HG2 LYS 5 1.448 12.166 3.309 49 HG3 LYS 5 HG3 LYS 5 2.099 11.868 1.697 50 HD2 LYS 5 HD2 LYS 5 3.880 11.758 3.364 51 HD3 LYS 5 HD3 LYS 5 4.144 13.130 2.286 52 HE2 LYS 5 HE2 LYS 5 3.215 14.654 4.025 53 HE3 LYS 5 HE3 LYS 5 2.976 13.272 5.097 54 HZ1 LYS 5 HZ1 LYS 5 5.004 14.510 5.587 55 HZ2 LYS 5 HZ2 LYS 5 5.598 14.179 4.041 56 HZ3 LYS 5 HZ3 LYS 5 5.342 12.917 5.136 57 H ILE 6 H ILE 6 -0.989 11.478 2.079 58 HA ILE 6 HA ILE 6 -2.098 12.026 4.744 59 HB ILE 6 HB ILE 6 -4.265 10.966 4.212 60 HG12 ILE 6 HG12 ILE 6 -3.226 10.772 1.350 61 HG13 ILE 6 HG13 ILE 6 -3.726 9.446 2.412 62 HG21 ILE 6 HG21 ILE 6 -3.724 13.288 2.331 63 HG22 ILE 6 HG22 ILE 6 -4.120 13.415 4.045 64 HG23 ILE 6 HG23 ILE 6 -5.311 12.776 2.914 65 HD11 ILE 6 HD11 ILE 6 -5.377 9.847 0.694 66 HD12 ILE 6 HD12 ILE 6 -5.534 11.534 1.180 67 HD13 ILE 6 HD13 ILE 6 -6.050 10.248 2.275 68 H HIS 7 H HIS 7 -1.269 10.467 6.076 69 HA HIS 7 HA HIS 7 -0.643 7.793 5.019 70 HB2 HIS 7 HB2 HIS 7 0.315 7.390 7.353 71 HB3 HIS 7 HB3 HIS 7 1.117 8.618 6.388 72 HD1 HIS 7 HD1 HIS 7 -1.330 8.357 9.274 73 HD2 HIS 7 HD2 HIS 7 1.364 11.056 7.627 74 HE1 HIS 7 HE1 HIS 7 -1.192 10.247 10.914 75 HE2 HIS 7 HE2 HIS 7 0.302 11.941 9.818 76 H LEU 8 H LEU 8 -2.018 6.173 5.167 77 HA LEU 8 HA LEU 8 -4.340 6.250 6.967 78 HB2 LEU 8 HB2 LEU 8 -3.866 4.457 4.546 79 HB3 LEU 8 HB3 LEU 8 -5.349 4.577 5.469 80 HG LEU 8 HG LEU 8 -5.833 5.756 3.507 81 HD11 LEU 8 HD11 LEU 8 -6.096 8.100 4.067 82 HD12 LEU 8 HD12 LEU 8 -4.943 7.938 5.394 83 HD13 LEU 8 HD13 LEU 8 -6.478 7.070 5.446 84 HD21 LEU 8 HD21 LEU 8 -3.137 7.141 3.595 85 HD22 LEU 8 HD22 LEU 8 -4.391 7.370 2.371 86 HD23 LEU 8 HD23 LEU 8 -3.594 5.807 2.531 87 H GLU 9 H GLU 9 -4.049 5.051 8.854 88 HA GLU 9 HA GLU 9 -2.256 2.690 8.855 89 HB2 GLU 9 HB2 GLU 9 -3.264 4.305 11.241 90 HB3 GLU 9 HB3 GLU 9 -2.153 2.946 11.320 91 HG2 GLU 9 HG2 GLU 9 -0.573 4.580 11.376 92 HG3 GLU 9 HG3 GLU 9 -0.745 4.521 9.626 93 H TYR 10 H TYR 10 -2.979 0.679 9.243 94 HA TYR 10 HA TYR 10 -5.752 0.186 10.206 95 HB2 TYR 10 HB2 TYR 10 -4.294 -1.464 8.076 96 HB3 TYR 10 HB3 TYR 10 -5.968 -1.641 8.592 97 HD1 TYR 10 HD1 TYR 10 -7.638 0.236 8.030 98 HD2 TYR 10 HD2 TYR 10 -3.721 0.074 6.306 99 HE1 TYR 10 HE1 TYR 10 -8.349 1.787 6.261 100 HE2 TYR 10 HE2 TYR 10 -4.436 1.623 4.533 101 HH TYR 10 HH TYR 10 -6.551 2.340 3.446 102 H LEU 11 H LEU 11 -5.801 -1.238 11.954 103 HA LEU 11 HA LEU 11 -3.243 -2.475 12.792 104 HB2 LEU 11 HB2 LEU 11 -5.732 -1.891 14.445 105 HB3 LEU 11 HB3 LEU 11 -4.208 -2.526 15.062 106 HG LEU 11 HG LEU 11 -4.554 0.230 13.790 107 HD11 LEU 11 HD11 LEU 11 -4.286 1.151 16.046 108 HD12 LEU 11 HD12 LEU 11 -4.276 -0.480 16.723 109 HD13 LEU 11 HD13 LEU 11 -5.724 0.138 15.925 110 HD21 LEU 11 HD21 LEU 11 -2.275 0.686 14.620 111 HD22 LEU 11 HD22 LEU 11 -2.286 -0.651 13.475 112 HD23 LEU 11 HD23 LEU 11 -2.147 -0.976 15.205 113 H LEU 12 H LEU 12 -3.127 -4.505 11.976 114 HA LEU 12 HA LEU 12 -5.577 -6.179 11.865 115 HB2 LEU 12 HB2 LEU 12 -3.164 -6.075 10.025 116 HB3 LEU 12 HB3 LEU 12 -4.357 -7.370 9.960 117 HG LEU 12 HG LEU 12 -4.902 -4.412 9.435 118 HD11 LEU 12 HD11 LEU 12 -5.346 -5.113 7.125 119 HD12 LEU 12 HD12 LEU 12 -4.888 -6.770 7.526 120 HD13 LEU 12 HD13 LEU 12 -3.688 -5.478 7.603 121 HD21 LEU 12 HD21 LEU 12 -6.833 -5.449 10.528 122 HD22 LEU 12 HD22 LEU 12 -6.825 -6.768 9.356 123 HD23 LEU 12 HD23 LEU 12 -7.196 -5.122 8.832 124 H ASN 13 H ASN 13 -5.646 -7.819 13.178 125 HA ASN 13 HA ASN 13 -3.205 -9.313 13.901 126 HB2 ASN 13 HB2 ASN 13 -3.988 -8.027 15.857 127 HB3 ASN 13 HB3 ASN 13 -5.616 -8.671 15.664 128 HD21 ASN 13 HD21 ASN 13 -2.309 -9.509 16.497 129 HD22 ASN 13 HD22 ASN 13 -2.700 -10.911 17.420 130 H ALA 14 H ALA 14 -3.332 -11.527 13.896 131 HA ALA 14 HA ALA 14 -4.003 -13.649 13.609 132 HB1 ALA 14 HB1 ALA 14 -6.341 -14.354 13.749 133 HB2 ALA 14 HB2 ALA 14 -6.882 -12.682 13.571 134 HB3 ALA 14 HB3 ALA 14 -5.983 -13.168 15.009 135 H THR 15 H THR 15 -5.539 -11.322 11.391 136 HA THR 15 HA THR 15 -5.878 -13.181 9.223 137 HB THR 15 HB THR 15 -5.966 -10.129 9.156 138 HG1 THR 15 HG1 THR 15 -8.085 -12.012 9.461 139 HG21 THR 15 HG21 THR 15 -7.371 -10.427 7.129 140 HG22 THR 15 HG22 THR 15 -7.137 -12.174 7.216 141 HG23 THR 15 HG23 THR 15 -5.764 -11.115 6.884 142 H SER 16 H SER 16 -3.836 -14.079 8.857 143 HA SER 16 HA SER 16 -2.001 -14.445 7.593 144 HB2 SER 16 HB2 SER 16 -2.744 -11.817 6.242 145 HB3 SER 16 HB3 SER 16 -1.604 -13.000 5.599 146 HG SER 16 HG SER 16 -3.552 -13.400 4.638 147 H LYS 17 H LYS 17 0.120 -13.236 6.672 148 HA LYS 17 HA LYS 17 1.403 -11.850 8.950 149 HB2 LYS 17 HB2 LYS 17 2.693 -13.206 6.532 150 HB3 LYS 17 HB3 LYS 17 3.541 -12.534 7.911 151 HG2 LYS 17 HG2 LYS 17 3.600 -14.853 8.257 152 HG3 LYS 17 HG3 LYS 17 2.327 -14.283 9.338 153 HD2 LYS 17 HD2 LYS 17 0.601 -15.052 7.767 154 HD3 LYS 17 HD3 LYS 17 1.833 -15.509 6.589 155 HE2 LYS 17 HE2 LYS 17 2.657 -17.261 8.094 156 HE3 LYS 17 HE3 LYS 17 1.506 -16.763 9.337 157 HZ1 LYS 17 HZ1 LYS 17 -0.301 -17.390 7.911 158 HZ2 LYS 17 HZ2 LYS 17 0.757 -18.700 8.070 159 HZ3 LYS 17 HZ3 LYS 17 0.758 -17.779 6.651 160 H ASN 18 H ASN 18 3.545 -10.686 7.559 161 HA ASN 18 HA ASN 18 2.725 -8.210 6.652 162 HB2 ASN 18 HB2 ASN 18 5.034 -7.975 5.696 163 HB3 ASN 18 HB3 ASN 18 4.995 -8.554 7.356 164 HD21 ASN 18 HD21 ASN 18 6.820 -8.901 4.835 165 HD22 ASN 18 HD22 ASN 18 7.198 -10.581 4.883 166 H ILE 19 H ILE 19 2.827 -11.138 4.758 167 HA ILE 19 HA ILE 19 3.265 -10.292 2.152 168 HB ILE 19 HB ILE 19 1.552 -12.617 3.133 169 HG12 ILE 19 HG12 ILE 19 3.615 -13.967 2.238 170 HG13 ILE 19 HG13 ILE 19 4.464 -12.429 2.210 171 HG21 ILE 19 HG21 ILE 19 2.471 -12.121 0.277 172 HG22 ILE 19 HG22 ILE 19 0.807 -12.127 0.863 173 HG23 ILE 19 HG23 ILE 19 1.743 -13.622 0.864 174 HD11 ILE 19 HD11 ILE 19 3.324 -13.816 4.626 175 HD12 ILE 19 HD12 ILE 19 4.137 -12.248 4.635 176 HD13 ILE 19 HD13 ILE 19 5.022 -13.698 4.163 177 H LEU 20 H LEU 20 0.434 -9.656 4.058 178 HA LEU 20 HA LEU 20 -1.753 -9.398 2.506 179 HB2 LEU 20 HB2 LEU 20 -0.655 -7.374 4.497 180 HB3 LEU 20 HB3 LEU 20 -2.284 -7.260 3.849 181 HG LEU 20 HG LEU 20 -1.322 -9.696 5.399 182 HD11 LEU 20 HD11 LEU 20 -1.076 -7.745 6.856 183 HD12 LEU 20 HD12 LEU 20 -2.405 -8.776 7.394 184 HD13 LEU 20 HD13 LEU 20 -2.750 -7.272 6.534 185 HD21 LEU 20 HD21 LEU 20 -3.313 -10.060 4.000 186 HD22 LEU 20 HD22 LEU 20 -4.126 -8.695 4.769 187 HD23 LEU 20 HD23 LEU 20 -3.724 -10.133 5.713 188 H TRP 21 H TRP 21 0.509 -6.625 2.831 189 HA TRP 21 HA TRP 21 -0.049 -5.796 0.057 190 HB2 TRP 21 HB2 TRP 21 1.253 -4.410 2.411 191 HB3 TRP 21 HB3 TRP 21 1.459 -3.797 0.774 192 HD1 TRP 21 HD1 TRP 21 -1.272 -4.237 3.468 193 HE1 TRP 21 HE1 TRP 21 -3.221 -2.666 2.885 194 HE3 TRP 21 HE3 TRP 21 0.291 -2.670 -1.139 195 HZ2 TRP 21 HZ2 TRP 21 -4.005 -0.985 0.759 196 HZ3 TRP 21 HZ3 TRP 21 -1.112 -1.074 -2.385 197 HH2 TRP 21 HH2 TRP 21 -3.216 -0.248 -1.454 198 H SER 22 H SER 22 2.588 -7.055 2.101 199 HA SER 22 HA SER 22 4.824 -6.267 0.625 200 HB2 SER 22 HB2 SER 22 5.013 -7.163 2.898 201 HB3 SER 22 HB3 SER 22 4.546 -8.763 2.333 202 HG SER 22 HG SER 22 6.926 -7.326 1.778 203 H ALA 23 H ALA 23 2.593 -8.741 -0.249 204 HA ALA 23 HA ALA 23 3.955 -10.386 -2.027 205 HB1 ALA 23 HB1 ALA 23 1.798 -10.650 -3.170 206 HB2 ALA 23 HB2 ALA 23 1.193 -9.195 -2.368 207 HB3 ALA 23 HB3 ALA 23 1.588 -10.625 -1.415 208 H ILE 24 H ILE 24 2.945 -7.041 -2.536 209 HA ILE 24 HA ILE 24 3.349 -6.745 -5.277 210 HB ILE 24 HB ILE 24 3.420 -4.296 -4.893 211 HG12 ILE 24 HG12 ILE 24 3.656 -5.050 -1.942 212 HG13 ILE 24 HG13 ILE 24 4.822 -4.154 -2.897 213 HG21 ILE 24 HG21 ILE 24 1.233 -5.438 -4.916 214 HG22 ILE 24 HG22 ILE 24 1.211 -4.041 -3.841 215 HG23 ILE 24 HG23 ILE 24 1.323 -5.670 -3.167 216 HD11 ILE 24 HD11 ILE 24 3.689 -2.661 -1.422 217 HD12 ILE 24 HD12 ILE 24 2.111 -3.211 -1.976 218 HD13 ILE 24 HD13 ILE 24 3.162 -2.300 -3.066 219 H SER 25 H SER 25 5.713 -7.108 -2.806 220 HA SER 25 HA SER 25 7.915 -5.721 -4.007 221 HB2 SER 25 HB2 SER 25 9.270 -6.696 -2.283 222 HB3 SER 25 HB3 SER 25 7.693 -6.397 -1.560 223 HG SER 25 HG SER 25 7.733 -8.423 -1.048 224 H THR 26 H THR 26 6.435 -8.717 -4.736 225 HA THR 26 HA THR 26 8.708 -9.538 -6.456 226 HB THR 26 HB THR 26 7.885 -11.912 -6.232 227 HG1 THR 26 HG1 THR 26 6.099 -10.674 -4.400 228 HG21 THR 26 HG21 THR 26 8.788 -12.343 -3.977 229 HG22 THR 26 HG22 THR 26 8.666 -10.625 -3.587 230 HG23 THR 26 HG23 THR 26 9.781 -11.169 -4.845 231 HA PRO 27 HA PRO 27 5.903 -9.477 -10.078 232 HB2 PRO 27 HB2 PRO 27 6.814 -11.945 -11.180 233 HB3 PRO 27 HB3 PRO 27 7.461 -10.338 -11.542 234 HG2 PRO 27 HG2 PRO 27 8.439 -12.381 -9.540 235 HG3 PRO 27 HG3 PRO 27 9.379 -11.338 -10.635 236 HD2 PRO 27 HD2 PRO 27 9.202 -10.715 -8.068 237 HD3 PRO 27 HD3 PRO 27 9.037 -9.422 -9.280 238 H THR 28 H THR 28 6.369 -12.877 -8.952 239 HA THR 28 HA THR 28 3.866 -13.899 -9.495 240 HB THR 28 HB THR 28 4.358 -15.690 -7.844 241 HG1 THR 28 HG1 THR 28 6.391 -15.445 -6.641 242 HG21 THR 28 HG21 THR 28 6.845 -14.831 -9.376 243 HG22 THR 28 HG22 THR 28 5.514 -15.788 -10.033 244 HG23 THR 28 HG23 THR 28 6.524 -16.451 -8.747 245 H GLY 29 H GLY 29 4.883 -12.262 -6.502 246 HA2 GLY 29 HA2 GLY 29 2.552 -12.698 -4.949 247 HA3 GLY 29 HA3 GLY 29 3.730 -11.413 -4.709 248 H LEU 30 H LEU 30 3.506 -9.888 -6.933 249 HA LEU 30 HA LEU 30 1.140 -8.381 -6.727 250 HB2 LEU 30 HB2 LEU 30 3.562 -8.354 -8.338 251 HB3 LEU 30 HB3 LEU 30 2.199 -7.916 -9.346 252 HG LEU 30 HG LEU 30 3.060 -6.518 -6.789 253 HD11 LEU 30 HD11 LEU 30 4.621 -6.101 -8.609 254 HD12 LEU 30 HD12 LEU 30 3.718 -4.646 -8.197 255 HD13 LEU 30 HD13 LEU 30 3.294 -5.564 -9.646 256 HD21 LEU 30 HD21 LEU 30 0.640 -6.364 -7.044 257 HD22 LEU 30 HD22 LEU 30 0.835 -5.752 -8.690 258 HD23 LEU 30 HD23 LEU 30 1.401 -4.797 -7.317 259 H GLU 31 H GLU 31 1.997 -10.874 -9.149 260 HA GLU 31 HA GLU 31 -0.254 -10.742 -10.827 261 HB2 GLU 31 HB2 GLU 31 1.483 -13.150 -10.133 262 HB3 GLU 31 HB3 GLU 31 0.337 -13.095 -11.470 263 HG2 GLU 31 HG2 GLU 31 1.637 -11.355 -12.566 264 HG3 GLU 31 HG3 GLU 31 2.743 -11.284 -11.194 265 H ASP 32 H ASP 32 0.142 -12.212 -7.702 266 HA ASP 32 HA ASP 32 -1.849 -14.170 -7.649 267 HB2 ASP 32 HB2 ASP 32 -0.037 -13.993 -6.004 268 HB3 ASP 32 HB3 ASP 32 -0.680 -12.470 -5.411 269 H TRP 33 H TRP 33 -2.215 -10.641 -7.140 270 HA TRP 33 HA TRP 33 -5.112 -10.950 -6.703 271 HB2 TRP 33 HB2 TRP 33 -5.086 -9.668 -4.586 272 HB3 TRP 33 HB3 TRP 33 -4.171 -11.162 -4.450 273 HD1 TRP 33 HD1 TRP 33 -1.324 -10.604 -5.093 274 HE1 TRP 33 HE1 TRP 33 0.107 -8.827 -3.934 275 HE3 TRP 33 HE3 TRP 33 -5.048 -7.623 -3.288 276 HZ2 TRP 33 HZ2 TRP 33 -0.267 -6.476 -2.425 277 HZ3 TRP 33 HZ3 TRP 33 -4.433 -5.633 -1.980 278 HH2 TRP 33 HH2 TRP 33 -2.088 -5.067 -1.554 279 H PHE 34 H PHE 34 -2.713 -9.146 -8.220 280 HA PHE 34 HA PHE 34 -4.215 -6.589 -8.051 281 HB2 PHE 34 HB2 PHE 34 -1.795 -6.518 -7.507 282 HB3 PHE 34 HB3 PHE 34 -1.410 -7.103 -9.120 283 HD1 PHE 34 HD2 PHE 34 -3.153 -4.262 -7.373 284 HD2 PHE 34 HD1 PHE 34 -0.958 -5.514 -10.830 285 HE1 PHE 34 HE2 PHE 34 -3.062 -1.939 -8.171 286 HE2 PHE 34 HE1 PHE 34 -0.865 -3.180 -11.611 287 HZ PHE 34 HZ PHE 34 -1.924 -1.394 -10.285 288 H ALA 35 H ALA 35 -2.374 -8.268 -10.648 289 HA ALA 35 HA ALA 35 -4.473 -7.516 -12.625 290 HB1 ALA 35 HB1 ALA 35 -2.529 -5.975 -12.790 291 HB2 ALA 35 HB2 ALA 35 -2.714 -6.953 -14.247 292 HB3 ALA 35 HB3 ALA 35 -1.463 -7.355 -13.066 293 H ASP 36 H ASP 36 -3.839 -8.707 -14.841 294 HA ASP 36 HA ASP 36 -4.143 -11.491 -14.653 295 HB2 ASP 36 HB2 ASP 36 -2.979 -9.836 -16.941 296 HB3 ASP 36 HB3 ASP 36 -3.449 -11.526 -17.080 297 H LYS 37 H LYS 37 -1.245 -9.699 -15.706 298 HA LYS 37 HA LYS 37 0.526 -11.380 -14.158 299 HB2 LYS 37 HB2 LYS 37 0.322 -12.753 -16.214 300 HB3 LYS 37 HB3 LYS 37 0.775 -11.369 -17.212 301 HG2 LYS 37 HG2 LYS 37 2.986 -11.301 -16.125 302 HG3 LYS 37 HG3 LYS 37 2.523 -12.652 -15.093 303 HD2 LYS 37 HD2 LYS 37 2.310 -14.076 -17.146 304 HD3 LYS 37 HD3 LYS 37 2.920 -12.716 -18.101 305 HE2 LYS 37 HE2 LYS 37 4.723 -14.322 -17.551 306 HE3 LYS 37 HE3 LYS 37 5.026 -12.743 -16.830 307 HZ1 LYS 37 HZ1 LYS 37 3.910 -15.110 -15.413 308 HZ2 LYS 37 HZ2 LYS 37 4.200 -13.598 -14.708 309 HZ3 LYS 37 HZ3 LYS 37 5.491 -14.532 -15.279 310 H VAL 38 H VAL 38 2.405 -10.348 -13.678 311 HA VAL 38 HA VAL 38 3.034 -7.800 -15.032 312 HB VAL 38 HB VAL 38 3.947 -6.901 -12.972 313 HG11 VAL 38 HG11 VAL 38 1.176 -8.040 -12.430 314 HG12 VAL 38 HG12 VAL 38 1.534 -6.558 -13.319 315 HG13 VAL 38 HG13 VAL 38 1.905 -6.661 -11.597 316 HG21 VAL 38 HG21 VAL 38 3.193 -9.491 -11.566 317 HG22 VAL 38 HG22 VAL 38 3.829 -8.040 -10.788 318 HG23 VAL 38 HG23 VAL 38 4.835 -8.945 -11.917 319 H VAL 39 H VAL 39 4.886 -7.904 -16.157 320 HA VAL 39 HA VAL 39 6.853 -10.041 -15.670 321 HB VAL 39 HB VAL 39 6.719 -7.963 -17.916 322 HG11 VAL 39 HG11 VAL 39 8.364 -9.403 -19.112 323 HG12 VAL 39 HG12 VAL 39 8.489 -10.437 -17.688 324 HG13 VAL 39 HG13 VAL 39 9.030 -8.759 -17.608 325 HG21 VAL 39 HG21 VAL 39 4.789 -9.488 -18.012 326 HG22 VAL 39 HG22 VAL 39 5.864 -10.886 -17.948 327 HG23 VAL 39 HG23 VAL 39 5.895 -9.815 -19.350 328 H SER 40 H SER 40 8.458 -9.603 -14.274 329 HA SER 40 HA SER 40 9.177 -6.822 -13.632 330 HB2 SER 40 HB2 SER 40 8.625 -8.242 -11.716 331 HB3 SER 40 HB3 SER 40 9.833 -9.432 -12.200 332 HG SER 40 HG SER 40 11.328 -8.263 -11.290 333 H ASP 41 H ASP 41 10.560 -6.171 -15.238 334 HA ASP 41 HA ASP 41 13.091 -7.560 -15.673 335 HB2 ASP 41 HB2 ASP 41 11.979 -6.212 -17.503 336 HB3 ASP 41 HB3 ASP 41 12.230 -4.753 -16.549 337 H ASP 42 H ASP 42 14.077 -7.670 -13.702 338 HA ASP 42 HA ASP 42 13.547 -6.540 -11.411 339 HB2 ASP 42 HB2 ASP 42 16.314 -7.361 -12.352 340 HB3 ASP 42 HB3 ASP 42 15.931 -7.035 -10.662 341 H LYS 43 H LYS 43 13.774 -4.782 -10.197 342 HA LYS 43 HA LYS 43 13.990 -2.605 -9.584 343 HB2 LYS 43 HB2 LYS 43 15.698 -2.132 -12.055 344 HB3 LYS 43 HB3 LYS 43 15.282 -0.880 -10.888 345 HG2 LYS 43 HG2 LYS 43 16.509 -2.169 -9.130 346 HG3 LYS 43 HG3 LYS 43 16.984 -3.344 -10.368 347 HD2 LYS 43 HD2 LYS 43 18.118 -1.504 -11.633 348 HD3 LYS 43 HD3 LYS 43 17.704 -0.377 -10.334 349 HE2 LYS 43 HE2 LYS 43 20.010 -1.097 -10.072 350 HE3 LYS 43 HE3 LYS 43 19.055 -1.778 -8.758 351 HZ1 LYS 43 HZ1 LYS 43 20.634 -3.344 -9.782 352 HZ2 LYS 43 HZ2 LYS 43 19.770 -3.255 -11.229 353 HZ3 LYS 43 HZ3 LYS 43 19.037 -3.886 -9.841 354 H THR 44 H THR 44 12.595 -3.780 -12.408 355 HA THR 44 HA THR 44 10.615 -1.582 -12.449 356 HB THR 44 HB THR 44 11.964 -2.743 -14.925 357 HG1 THR 44 HG1 THR 44 12.035 -0.241 -15.195 358 HG21 THR 44 HG21 THR 44 10.431 -1.352 -16.304 359 HG22 THR 44 HG22 THR 44 9.518 -0.936 -14.854 360 HG23 THR 44 HG23 THR 44 9.551 -2.606 -15.422 361 H VAL 45 H VAL 45 8.528 -2.293 -12.590 362 HA VAL 45 HA VAL 45 7.951 -5.138 -13.217 363 HB VAL 45 HB VAL 45 6.434 -3.304 -11.292 364 HG11 VAL 45 HG11 VAL 45 4.899 -4.859 -12.417 365 HG12 VAL 45 HG12 VAL 45 5.111 -5.335 -10.734 366 HG13 VAL 45 HG13 VAL 45 5.944 -6.223 -12.008 367 HG21 VAL 45 HG21 VAL 45 8.187 -5.730 -10.692 368 HG22 VAL 45 HG22 VAL 45 7.238 -4.830 -9.503 369 HG23 VAL 45 HG23 VAL 45 8.587 -4.047 -10.329 370 H THR 46 H THR 46 6.754 -5.415 -15.033 371 HA THR 46 HA THR 46 5.326 -3.145 -16.282 372 HB THR 46 HB THR 46 6.084 -5.817 -17.561 373 HG1 THR 46 HG1 THR 46 7.971 -4.693 -16.998 374 HG21 THR 46 HG21 THR 46 5.722 -4.634 -19.703 375 HG22 THR 46 HG22 THR 46 5.257 -3.171 -18.832 376 HG23 THR 46 HG23 THR 46 4.249 -4.619 -18.731 377 H PHE 47 H PHE 47 3.170 -3.124 -15.766 378 HA PHE 47 HA PHE 47 1.695 -5.510 -15.043 379 HB2 PHE 47 HB2 PHE 47 0.496 -2.742 -15.458 380 HB3 PHE 47 HB3 PHE 47 -0.100 -4.054 -14.436 381 HD1 PHE 47 HD1 PHE 47 1.272 -4.682 -12.365 382 HD2 PHE 47 HD2 PHE 47 1.968 -1.099 -14.586 383 HE1 PHE 47 HE1 PHE 47 2.463 -3.726 -10.443 384 HE2 PHE 47 HE2 PHE 47 3.160 -0.142 -12.655 385 HZ PHE 47 HZ PHE 47 3.411 -1.452 -10.581 386 H CYS 48 H CYS 48 0.993 -6.808 -16.611 387 HA CYS 48 HA CYS 48 -0.077 -5.724 -19.160 388 HB2 CYS 48 HB2 CYS 48 1.918 -7.102 -19.520 389 HB3 CYS 48 HB3 CYS 48 1.222 -8.421 -18.577 390 HG CYS 48 HG CYS 48 -0.968 -8.638 -20.497 391 H TRP 49 H TRP 49 -2.204 -5.908 -19.387 392 HA TRP 49 HA TRP 49 -3.780 -7.924 -17.898 393 HB2 TRP 49 HB2 TRP 49 -4.637 -5.373 -19.346 394 HB3 TRP 49 HB3 TRP 49 -5.737 -6.470 -18.511 395 HD1 TRP 49 HD1 TRP 49 -5.685 -6.449 -15.811 396 HE1 TRP 49 HE1 TRP 49 -4.813 -4.718 -14.124 397 HE3 TRP 49 HE3 TRP 49 -2.786 -3.634 -18.951 398 HZ2 TRP 49 HZ2 TRP 49 -3.119 -2.460 -14.112 399 HZ3 TRP 49 HZ3 TRP 49 -1.570 -1.700 -18.028 400 HH2 TRP 49 HH2 TRP 49 -1.734 -1.125 -15.653 401 H GLY 50 H GLY 50 -6.026 -8.177 -19.529 402 HA2 GLY 50 HA2 GLY 50 -5.326 -9.697 -21.833 403 HA3 GLY 50 HA3 GLY 50 -6.912 -9.017 -21.490 404 H LYS 51 H LYS 51 -5.803 -6.280 -21.326 405 HA LYS 51 HA LYS 51 -5.876 -5.320 -24.001 406 HB2 LYS 51 HB2 LYS 51 -4.790 -4.007 -21.466 407 HB3 LYS 51 HB3 LYS 51 -5.128 -3.159 -22.974 408 HG2 LYS 51 HG2 LYS 51 -7.500 -3.521 -22.733 409 HG3 LYS 51 HG3 LYS 51 -7.252 -4.604 -21.360 410 HD2 LYS 51 HD2 LYS 51 -6.393 -2.737 -20.006 411 HD3 LYS 51 HD3 LYS 51 -6.533 -1.642 -21.384 412 HE2 LYS 51 HE2 LYS 51 -8.870 -3.039 -20.023 413 HE3 LYS 51 HE3 LYS 51 -8.384 -1.366 -19.754 414 HZ1 LYS 51 HZ1 LYS 51 -8.832 -0.909 -22.089 415 HZ2 LYS 51 HZ2 LYS 51 -10.209 -1.490 -21.298 416 HZ3 LYS 51 HZ3 LYS 51 -9.334 -2.508 -22.326 417 H THR 52 H THR 52 -4.169 -4.621 -25.380 418 HA THR 52 HA THR 52 -1.409 -5.371 -24.899 419 HB THR 52 HB THR 52 -0.907 -4.103 -26.990 420 HG1 THR 52 HG1 THR 52 -2.293 -2.696 -27.798 421 HG21 THR 52 HG21 THR 52 -2.268 -5.417 -28.573 422 HG22 THR 52 HG22 THR 52 -3.395 -5.829 -27.279 423 HG23 THR 52 HG23 THR 52 -1.733 -6.426 -27.226 424 H GLU 53 H GLU 53 -3.409 -2.756 -24.058 425 HA GLU 53 HA GLU 53 -1.588 -0.659 -23.582 426 HB2 GLU 53 HB2 GLU 53 -4.002 -0.266 -23.793 427 HB3 GLU 53 HB3 GLU 53 -4.331 -1.291 -22.403 428 HG2 GLU 53 HG2 GLU 53 -3.166 0.344 -20.944 429 HG3 GLU 53 HG3 GLU 53 -2.875 1.371 -22.351 430 H GLN 54 H GLN 54 0.096 -1.077 -22.359 431 HA GLN 54 HA GLN 54 -0.163 -2.315 -19.679 432 HB2 GLN 54 HB2 GLN 54 1.832 -3.667 -20.129 433 HB3 GLN 54 HB3 GLN 54 0.607 -3.982 -21.361 434 HG2 GLN 54 HG2 GLN 54 1.818 -2.460 -22.916 435 HG3 GLN 54 HG3 GLN 54 3.067 -2.235 -21.694 436 HE21 GLN 54 HE21 GLN 54 1.688 -4.451 -24.005 437 HE22 GLN 54 HE22 GLN 54 3.004 -5.570 -23.996 438 H ARG 55 H ARG 55 1.309 -1.541 -18.114 439 HA ARG 55 HA ARG 55 2.962 0.808 -18.865 440 HB2 ARG 55 HB2 ARG 55 1.231 0.533 -16.367 441 HB3 ARG 55 HB3 ARG 55 2.412 1.808 -16.627 442 HG2 ARG 55 HG2 ARG 55 0.441 2.888 -17.186 443 HG3 ARG 55 HG3 ARG 55 1.007 2.360 -18.770 444 HD2 ARG 55 HD2 ARG 55 -0.557 0.430 -18.666 445 HD3 ARG 55 HD3 ARG 55 -1.105 0.971 -17.070 446 HE ARG 55 HE ARG 55 -1.346 2.874 -19.263 447 HH11 ARG 55 HH11 ARG 55 -3.009 0.559 -17.294 448 HH12 ARG 55 HH12 ARG 55 -4.563 1.176 -17.715 449 HH21 ARG 55 HH21 ARG 55 -3.309 3.662 -19.753 450 HH22 ARG 55 HH22 ARG 55 -4.731 2.925 -19.107 451 H GLN 56 H GLN 56 4.742 1.231 -17.409 452 HA GLN 56 HA GLN 56 5.700 -1.106 -15.853 453 HB2 GLN 56 HB2 GLN 56 7.412 0.907 -17.379 454 HB3 GLN 56 HB3 GLN 56 8.007 -0.451 -16.425 455 HG2 GLN 56 HG2 GLN 56 6.800 -1.989 -18.011 456 HG3 GLN 56 HG3 GLN 56 6.434 -0.585 -19.015 457 HE21 GLN 56 HE21 GLN 56 8.145 0.390 -20.180 458 HE22 GLN 56 HE22 GLN 56 9.666 -0.395 -20.391 459 H ALA 57 H ALA 57 6.793 -0.675 -13.908 460 HA ALA 57 HA ALA 57 6.787 2.100 -12.885 461 HB1 ALA 57 HB1 ALA 57 5.794 1.391 -10.750 462 HB2 ALA 57 HB2 ALA 57 5.620 -0.261 -11.350 463 HB3 ALA 57 HB3 ALA 57 4.693 1.048 -12.085 464 H GLY 58 H GLY 58 8.789 2.553 -12.275 465 HA2 GLY 58 HA2 GLY 58 10.763 0.531 -11.637 466 HA3 GLY 58 HA3 GLY 58 11.011 2.270 -11.708 467 H ILE 59 H ILE 59 11.283 -0.181 -9.650 468 HA ILE 59 HA ILE 59 10.107 0.829 -7.238 469 HB ILE 59 HB ILE 59 12.480 -1.091 -7.551 470 HG12 ILE 59 HG12 ILE 59 10.746 -2.826 -6.711 471 HG13 ILE 59 HG13 ILE 59 9.512 -1.617 -7.038 472 HG21 ILE 59 HG21 ILE 59 12.169 -1.628 -5.150 473 HG22 ILE 59 HG22 ILE 59 10.926 -0.380 -5.029 474 HG23 ILE 59 HG23 ILE 59 12.594 0.070 -5.387 475 HD11 ILE 59 HD11 ILE 59 9.662 -3.261 -8.806 476 HD12 ILE 59 HD12 ILE 59 11.359 -2.860 -9.073 477 HD13 ILE 59 HD13 ILE 59 10.104 -1.664 -9.407 478 H VAL 60 H VAL 60 10.712 2.732 -6.287 479 HA VAL 60 HA VAL 60 13.332 3.911 -6.899 480 HB VAL 60 HB VAL 60 12.412 5.969 -5.785 481 HG11 VAL 60 HG11 VAL 60 10.798 6.549 -7.581 482 HG12 VAL 60 HG12 VAL 60 10.685 4.847 -8.032 483 HG13 VAL 60 HG13 VAL 60 12.212 5.713 -8.228 484 HG21 VAL 60 HG21 VAL 60 10.817 4.887 -4.227 485 HG22 VAL 60 HG22 VAL 60 9.820 4.375 -5.591 486 HG23 VAL 60 HG23 VAL 60 10.000 6.093 -5.228 487 H ALA 61 H ALA 61 11.620 2.428 -4.220 488 HA ALA 61 HA ALA 61 14.054 2.002 -2.766 489 HB1 ALA 61 HB1 ALA 61 12.021 3.843 -1.443 490 HB2 ALA 61 HB2 ALA 61 13.617 4.320 -2.024 491 HB3 ALA 61 HB3 ALA 61 13.476 3.184 -0.682 492 H ILE 62 H ILE 62 13.867 0.329 -1.280 493 HA ILE 62 HA ILE 62 11.341 -0.706 -0.337 494 HB ILE 62 HB ILE 62 11.315 -1.589 -2.664 495 HG12 ILE 62 HG12 ILE 62 11.817 -3.794 -0.602 496 HG13 ILE 62 HG13 ILE 62 10.294 -2.950 -0.844 497 HG21 ILE 62 HG21 ILE 62 13.741 -1.654 -3.094 498 HG22 ILE 62 HG22 ILE 62 13.002 -3.216 -3.451 499 HG23 ILE 62 HG23 ILE 62 13.927 -2.998 -1.963 500 HD11 ILE 62 HD11 ILE 62 10.259 -5.143 -1.834 501 HD12 ILE 62 HD12 ILE 62 11.653 -4.750 -2.839 502 HD13 ILE 62 HD13 ILE 62 10.119 -3.903 -3.079 503 H ARG 63 H ARG 63 11.571 -2.265 1.288 504 HA ARG 63 HA ARG 63 13.974 -3.805 1.678 505 HB2 ARG 63 HB2 ARG 63 14.542 -1.751 2.982 506 HB3 ARG 63 HB3 ARG 63 13.047 -1.914 3.898 507 HG2 ARG 63 HG2 ARG 63 13.887 -4.085 4.817 508 HG3 ARG 63 HG3 ARG 63 15.405 -3.839 3.944 509 HD2 ARG 63 HD2 ARG 63 14.268 -2.088 6.155 510 HD3 ARG 63 HD3 ARG 63 15.668 -3.160 6.271 511 HE ARG 63 HE ARG 63 16.366 -1.500 4.251 512 HH11 ARG 63 HH11 ARG 63 15.246 -0.834 7.457 513 HH12 ARG 63 HH12 ARG 63 16.101 0.664 7.552 514 HH21 ARG 63 HH21 ARG 63 17.405 0.417 4.374 515 HH22 ARG 63 HH22 ARG 63 17.312 1.362 5.820 516 H ALA 64 H ALA 64 12.775 -5.659 1.451 517 HA ALA 64 HA ALA 64 11.189 -7.270 1.662 518 HB1 ALA 64 HB1 ALA 64 12.690 -7.678 3.568 519 HB2 ALA 64 HB2 ALA 64 11.045 -8.218 3.907 520 HB3 ALA 64 HB3 ALA 64 11.638 -6.707 4.601 521 H TYR 65 H TYR 65 10.061 -5.563 4.569 522 HA TYR 65 HA TYR 65 7.490 -4.814 3.357 523 HB2 TYR 65 HB2 TYR 65 6.196 -5.890 5.147 524 HB3 TYR 65 HB3 TYR 65 7.164 -7.092 4.313 525 HD1 TYR 65 HD2 TYR 65 9.269 -7.990 5.453 526 HD2 TYR 65 HD1 TYR 65 6.450 -5.536 7.521 527 HE1 TYR 65 HE2 TYR 65 10.174 -8.755 7.609 528 HE2 TYR 65 HE1 TYR 65 7.341 -6.303 9.666 529 HH TYR 65 HH TYR 65 10.274 -7.921 9.977 530 H SER 66 H SER 66 10.115 -4.011 5.210 531 HA SER 66 HA SER 66 9.139 -2.317 7.257 532 HB2 SER 66 HB2 SER 66 11.783 -2.096 5.748 533 HB3 SER 66 HB3 SER 66 11.432 -1.452 7.357 534 HG SER 66 HG SER 66 10.949 -3.804 7.838 535 H PHE 67 H PHE 67 9.483 -1.893 3.846 536 HA PHE 67 HA PHE 67 7.768 0.202 3.516 537 HB2 PHE 67 HB2 PHE 67 9.126 2.166 2.888 538 HB3 PHE 67 HB3 PHE 67 9.394 1.748 4.571 539 HD1 PHE 67 HD2 PHE 67 11.590 0.863 5.311 540 HD2 PHE 67 HD1 PHE 67 10.940 1.987 1.234 541 HE1 PHE 67 HE2 PHE 67 14.017 0.873 4.921 542 HE2 PHE 67 HE1 PHE 67 13.361 1.985 0.856 543 HZ PHE 67 HZ PHE 67 14.903 1.434 2.693 544 H ILE 68 H ILE 68 7.252 0.398 1.345 545 HA ILE 68 HA ILE 68 9.194 -0.240 -0.728 546 HB ILE 68 HB ILE 68 8.239 -2.445 -0.318 547 HG12 ILE 68 HG12 ILE 68 7.121 -1.234 -2.892 548 HG13 ILE 68 HG13 ILE 68 8.758 -1.843 -2.664 549 HG21 ILE 68 HG21 ILE 68 6.134 -1.815 0.768 550 HG22 ILE 68 HG22 ILE 68 5.839 -2.960 -0.541 551 HG23 ILE 68 HG23 ILE 68 5.488 -1.245 -0.774 552 HD11 ILE 68 HD11 ILE 68 6.246 -3.483 -2.567 553 HD12 ILE 68 HD12 ILE 68 7.891 -4.086 -2.373 554 HD13 ILE 68 HD13 ILE 68 7.383 -3.382 -3.905 555 H ARG 69 H ARG 69 8.878 0.981 -2.571 556 HA ARG 69 HA ARG 69 6.303 2.185 -3.148 557 HB2 ARG 69 HB2 ARG 69 7.454 4.518 -3.469 558 HB3 ARG 69 HB3 ARG 69 6.877 4.039 -1.895 559 HG2 ARG 69 HG2 ARG 69 9.793 3.687 -2.641 560 HG3 ARG 69 HG3 ARG 69 9.172 5.242 -2.089 561 HD2 ARG 69 HD2 ARG 69 8.235 3.799 -0.066 562 HD3 ARG 69 HD3 ARG 69 9.489 2.664 -0.558 563 HE ARG 69 HE ARG 69 11.055 4.653 -0.282 564 HH11 ARG 69 HH11 ARG 69 8.210 4.266 1.662 565 HH12 ARG 69 HH12 ARG 69 8.814 5.275 2.921 566 HH21 ARG 69 HH21 ARG 69 11.803 5.893 1.365 567 HH22 ARG 69 HH22 ARG 69 10.831 6.154 2.769 568 H PHE 70 H PHE 70 5.902 2.367 -5.204 569 HA PHE 70 HA PHE 70 8.018 1.980 -7.234 570 HB2 PHE 70 HB2 PHE 70 4.985 1.716 -7.488 571 HB3 PHE 70 HB3 PHE 70 6.157 1.358 -8.752 572 HD1 PHE 70 HD2 PHE 70 4.801 0.223 -5.482 573 HD2 PHE 70 HD1 PHE 70 7.347 -0.760 -8.779 574 HE1 PHE 70 HE2 PHE 70 4.947 -2.097 -4.687 575 HE2 PHE 70 HE1 PHE 70 7.478 -3.079 -7.967 576 HZ PHE 70 HZ PHE 70 6.275 -3.744 -5.933 577 H HIS 71 H HIS 71 7.622 3.175 -9.309 578 HA HIS 71 HA HIS 71 6.013 5.610 -9.224 579 HB2 HIS 71 HB2 HIS 71 8.197 6.352 -8.306 580 HB3 HIS 71 HB3 HIS 71 9.024 5.716 -9.726 581 HD1 HIS 71 HD1 HIS 71 9.066 7.192 -11.799 582 HD2 HIS 71 HD2 HIS 71 6.586 8.667 -8.816 583 HE1 HIS 71 HE1 HIS 71 8.351 9.464 -12.583 584 HE2 HIS 71 HE2 HIS 71 6.656 10.205 -10.890 585 H TRP 72 H TRP 72 5.248 6.154 -11.235 586 HA TRP 72 HA TRP 72 5.324 4.141 -13.255 587 HB2 TRP 72 HB2 TRP 72 4.086 6.929 -13.350 588 HB3 TRP 72 HB3 TRP 72 3.788 5.647 -14.519 589 HD1 TRP 72 HD1 TRP 72 3.281 6.277 -10.701 590 HE1 TRP 72 HE1 TRP 72 1.156 5.039 -9.972 591 HE3 TRP 72 HE3 TRP 72 2.091 3.981 -15.129 592 HZ2 TRP 72 HZ2 TRP 72 -0.771 3.334 -11.096 593 HZ3 TRP 72 HZ3 TRP 72 0.071 2.567 -15.208 594 HH2 TRP 72 HH2 TRP 72 -1.330 2.250 -13.232 595 H LEU 73 H LEU 73 6.684 3.909 -14.915 596 HA LEU 73 HA LEU 73 8.724 5.870 -15.573 597 HB2 LEU 73 HB2 LEU 73 8.059 3.181 -16.831 598 HB3 LEU 73 HB3 LEU 73 9.507 4.128 -17.163 599 HG LEU 73 HG LEU 73 8.787 2.831 -14.495 600 HD11 LEU 73 HD11 LEU 73 10.940 2.110 -16.502 601 HD12 LEU 73 HD12 LEU 73 9.455 1.207 -16.188 602 HD13 LEU 73 HD13 LEU 73 10.678 1.347 -14.929 603 HD21 LEU 73 HD21 LEU 73 11.276 4.414 -15.242 604 HD22 LEU 73 HD22 LEU 73 11.041 3.511 -13.741 605 HD23 LEU 73 HD23 LEU 73 10.026 4.906 -14.096 606 H ASP 74 H ASP 74 5.554 5.286 -16.577 607 HA ASP 74 HA ASP 74 5.771 6.193 -19.336 608 HB2 ASP 74 HB2 ASP 74 3.319 5.524 -17.641 609 HB3 ASP 74 HB3 ASP 74 3.341 5.743 -19.393 610 H ASP 75 H ASP 75 5.498 7.745 -16.291 611 HA ASP 75 HA ASP 75 3.994 10.048 -17.412 612 HB2 ASP 75 HB2 ASP 75 2.739 10.197 -15.506 613 HB3 ASP 75 HB3 ASP 75 3.181 8.513 -15.305 614 H GLU 76 H GLU 76 4.521 12.168 -16.559 615 HA GLU 76 HA GLU 76 7.108 12.561 -15.219 616 HB2 GLU 76 HB2 GLU 76 7.799 14.291 -16.858 617 HB3 GLU 76 HB3 GLU 76 7.638 12.712 -17.623 618 HG2 GLU 76 HG2 GLU 76 5.446 13.373 -18.541 619 HG3 GLU 76 HG3 GLU 76 5.589 14.953 -17.769 620 H ASN 77 H ASN 77 4.299 12.766 -14.437 621 HA ASN 77 HA ASN 77 3.799 15.683 -14.132 622 HB2 ASN 77 HB2 ASN 77 1.770 13.412 -14.038 623 HB3 ASN 77 HB3 ASN 77 1.416 15.136 -14.054 624 HD21 ASN 77 HD21 ASN 77 0.607 12.947 -15.843 625 HD22 ASN 77 HD22 ASN 77 1.063 13.456 -17.428 626 H GLU 78 H GLU 78 2.857 16.419 -12.150 627 HA GLU 78 HA GLU 78 2.589 16.641 -9.914 628 HB2 GLU 78 HB2 GLU 78 1.283 13.954 -10.417 629 HB3 GLU 78 HB3 GLU 78 1.112 14.818 -8.894 630 HG2 GLU 78 HG2 GLU 78 0.261 15.895 -11.606 631 HG3 GLU 78 HG3 GLU 78 -0.817 15.122 -10.440 632 H ARG 79 H ARG 79 2.895 13.175 -9.393 633 HA ARG 79 HA ARG 79 5.517 13.286 -8.143 634 HB2 ARG 79 HB2 ARG 79 3.013 12.860 -6.428 635 HB3 ARG 79 HB3 ARG 79 4.626 12.387 -5.905 636 HG2 ARG 79 HG2 ARG 79 5.344 14.753 -5.986 637 HG3 ARG 79 HG3 ARG 79 3.726 15.225 -6.510 638 HD2 ARG 79 HD2 ARG 79 2.799 14.380 -4.370 639 HD3 ARG 79 HD3 ARG 79 4.428 13.931 -3.840 640 HE ARG 79 HE ARG 79 3.344 16.648 -4.146 641 HH11 ARG 79 HH11 ARG 79 6.068 14.695 -3.230 642 HH12 ARG 79 HH12 ARG 79 6.827 15.995 -2.384 643 HH21 ARG 79 HH21 ARG 79 4.361 18.279 -3.068 644 HH22 ARG 79 HH22 ARG 79 5.879 17.989 -2.296 645 H ASP 80 H ASP 80 2.483 11.461 -8.210 646 HA ASP 80 HA ASP 80 1.860 9.356 -8.607 647 HB2 ASP 80 HB2 ASP 80 3.903 9.812 -10.795 648 HB3 ASP 80 HB3 ASP 80 2.856 8.384 -10.761 649 H TYR 81 H TYR 81 3.219 9.155 -6.427 650 HA TYR 81 HA TYR 81 4.536 6.512 -6.673 651 HB2 TYR 81 HB2 TYR 81 6.098 7.007 -4.923 652 HB3 TYR 81 HB3 TYR 81 6.169 8.379 -6.015 653 HD1 TYR 81 HD2 TYR 81 4.735 10.493 -5.347 654 HD2 TYR 81 HD1 TYR 81 5.768 7.393 -2.584 655 HE1 TYR 81 HE2 TYR 81 4.310 12.018 -3.469 656 HE2 TYR 81 HE1 TYR 81 5.331 8.919 -0.705 657 HH TYR 81 HH TYR 81 5.232 11.305 -0.246 658 H PHE 82 H PHE 82 4.231 5.139 -4.781 659 HA PHE 82 HA PHE 82 2.313 5.921 -2.736 660 HB2 PHE 82 HB2 PHE 82 0.891 3.847 -3.087 661 HB3 PHE 82 HB3 PHE 82 0.727 5.063 -4.339 662 HD1 PHE 82 HD2 PHE 82 1.957 4.682 -6.583 663 HD2 PHE 82 HD1 PHE 82 1.461 1.589 -3.667 664 HE1 PHE 82 HE2 PHE 82 2.377 2.981 -8.309 665 HE2 PHE 82 HE1 PHE 82 1.887 -0.103 -5.397 666 HZ PHE 82 HZ PHE 82 2.345 0.589 -7.718 667 H GLU 83 H GLU 83 3.352 5.451 -0.901 668 HA GLU 83 HA GLU 83 5.173 3.116 -0.826 669 HB2 GLU 83 HB2 GLU 83 6.314 4.246 1.095 670 HB3 GLU 83 HB3 GLU 83 6.427 5.107 -0.431 671 HG2 GLU 83 HG2 GLU 83 4.703 6.684 0.310 672 HG3 GLU 83 HG3 GLU 83 4.549 5.813 1.833 673 H ILE 84 H ILE 84 4.929 1.529 0.593 674 HA ILE 84 HA ILE 84 2.711 1.585 2.560 675 HB ILE 84 HB ILE 84 3.334 -0.796 0.734 676 HG12 ILE 84 HG12 ILE 84 0.813 -0.223 -0.050 677 HG13 ILE 84 HG13 ILE 84 1.284 1.407 0.402 678 HG21 ILE 84 HG21 ILE 84 2.497 -1.453 2.928 679 HG22 ILE 84 HG22 ILE 84 1.283 -1.773 1.694 680 HG23 ILE 84 HG23 ILE 84 1.107 -0.377 2.756 681 HD11 ILE 84 HD11 ILE 84 2.666 -0.339 -1.636 682 HD12 ILE 84 HD12 ILE 84 3.119 1.316 -1.206 683 HD13 ILE 84 HD13 ILE 84 1.561 0.996 -1.967 684 H LYS 85 H LYS 85 3.338 0.766 4.536 685 HA LYS 85 HA LYS 85 5.324 -1.401 4.643 686 HB2 LYS 85 HB2 LYS 85 6.465 -0.415 6.590 687 HB3 LYS 85 HB3 LYS 85 6.634 0.590 5.160 688 HG2 LYS 85 HG2 LYS 85 5.019 2.189 6.012 689 HG3 LYS 85 HG3 LYS 85 4.652 1.143 7.391 690 HD2 LYS 85 HD2 LYS 85 6.956 1.407 8.229 691 HD3 LYS 85 HD3 LYS 85 7.372 2.403 6.830 692 HE2 LYS 85 HE2 LYS 85 5.287 3.119 8.922 693 HE3 LYS 85 HE3 LYS 85 6.937 3.744 8.875 694 HZ1 LYS 85 HZ1 LYS 85 4.837 4.158 6.819 695 HZ2 LYS 85 HZ2 LYS 85 6.436 4.686 6.681 696 HZ3 LYS 85 HZ3 LYS 85 5.438 5.317 7.894 697 H MET 86 H MET 86 5.351 -2.459 6.825 698 HA MET 86 HA MET 86 2.986 -2.028 8.491 699 HB2 MET 86 HB2 MET 86 2.686 -4.513 8.832 700 HB3 MET 86 HB3 MET 86 2.174 -3.920 7.266 701 HG2 MET 86 HG2 MET 86 4.857 -5.231 7.692 702 HG3 MET 86 HG3 MET 86 3.403 -6.140 7.295 703 HE1 MET 86 HE1 MET 86 2.138 -6.001 5.013 704 HE2 MET 86 HE2 MET 86 2.512 -4.822 3.751 705 HE3 MET 86 HE3 MET 86 1.879 -4.282 5.306 706 H SER 87 H SER 87 3.487 -1.944 10.516 707 HA SER 87 HA SER 87 6.164 -2.761 11.501 708 HB2 SER 87 HB2 SER 87 5.629 -0.355 11.812 709 HB3 SER 87 HB3 SER 87 4.156 -0.778 12.682 710 HG SER 87 HG SER 87 5.771 -0.309 14.164 711 H TYR 88 H TYR 88 6.313 -4.064 13.413 712 HA TYR 88 HA TYR 88 3.777 -5.440 14.165 713 HB2 TYR 88 HB2 TYR 88 5.348 -6.858 12.825 714 HB3 TYR 88 HB3 TYR 88 6.576 -6.649 14.071 715 HD1 TYR 88 HD1 TYR 88 2.912 -7.280 14.580 716 HD2 TYR 88 HD2 TYR 88 6.855 -8.916 14.837 717 HE1 TYR 88 HE1 TYR 88 2.031 -9.236 15.761 718 HE2 TYR 88 HE2 TYR 88 5.961 -10.876 16.020 719 HH TYR 88 HH TYR 88 4.034 -11.502 17.354 720 H ASN 89 H ASN 89 3.175 -5.252 16.228 721 HA ASN 89 HA ASN 89 4.832 -3.914 18.195 722 HB2 ASN 89 HB2 ASN 89 2.025 -5.051 18.456 723 HB3 ASN 89 HB3 ASN 89 2.824 -4.019 19.639 724 HD21 ASN 89 HD21 ASN 89 1.149 -4.126 16.624 725 HD22 ASN 89 HD22 ASN 89 0.984 -2.426 16.434 726 H GLU 90 H GLU 90 4.571 -7.140 17.342 727 HA GLU 90 HA GLU 90 5.448 -9.062 18.133 728 HB2 GLU 90 HB2 GLU 90 6.770 -7.298 20.223 729 HB3 GLU 90 HB3 GLU 90 7.209 -8.970 19.887 730 HG2 GLU 90 HG2 GLU 90 8.033 -8.400 17.700 731 HG3 GLU 90 HG3 GLU 90 7.384 -6.763 17.807 732 H LEU 91 H LEU 91 5.052 -7.477 21.330 733 HA LEU 91 HA LEU 91 3.884 -9.826 22.528 734 HB2 LEU 91 HB2 LEU 91 4.135 -7.002 23.646 735 HB3 LEU 91 HB3 LEU 91 3.748 -8.441 24.580 736 HG LEU 91 HG LEU 91 6.406 -7.861 23.205 737 HD11 LEU 91 HD11 LEU 91 5.720 -7.939 26.161 738 HD12 LEU 91 HD12 LEU 91 6.054 -6.493 25.204 739 HD13 LEU 91 HD13 LEU 91 7.326 -7.682 25.468 740 HD21 LEU 91 HD21 LEU 91 5.949 -10.263 23.144 741 HD22 LEU 91 HD22 LEU 91 5.618 -10.272 24.879 742 HD23 LEU 91 HD23 LEU 91 7.242 -9.910 24.290 743 H THR 92 H THR 92 2.691 -6.727 21.354 744 HA THR 92 HA THR 92 -0.008 -7.052 22.316 745 HB THR 92 HB THR 92 0.997 -5.104 20.201 746 HG1 THR 92 HG1 THR 92 1.190 -3.680 22.117 747 HG21 THR 92 HG21 THR 92 -0.818 -3.644 20.946 748 HG22 THR 92 HG22 THR 92 -1.326 -4.842 22.143 749 HG23 THR 92 HG23 THR 92 -1.475 -5.194 20.417 750 H GLY 93 H GLY 93 1.755 -7.730 19.323 751 HA2 GLY 93 HA2 GLY 93 1.369 -9.609 18.009 752 HA3 GLY 93 HA3 GLY 93 -0.237 -9.767 18.686 753 H ASP 94 H ASP 94 -0.428 -6.674 17.758 754 HA ASP 94 HA ASP 94 -1.606 -7.375 15.165 755 HB2 ASP 94 HB2 ASP 94 -2.715 -5.206 15.242 756 HB3 ASP 94 HB3 ASP 94 -2.911 -6.009 16.798 757 H TYR 95 H TYR 95 -1.304 -5.991 13.294 758 HA TYR 95 HA TYR 95 1.420 -4.894 12.974 759 HB2 TYR 95 HB2 TYR 95 -0.638 -5.981 11.014 760 HB3 TYR 95 HB3 TYR 95 0.662 -4.944 10.448 761 HD1 TYR 95 HD2 TYR 95 0.205 -8.110 12.485 762 HD2 TYR 95 HD1 TYR 95 2.612 -5.964 9.681 763 HE1 TYR 95 HE2 TYR 95 1.686 -10.062 12.251 764 HE2 TYR 95 HE1 TYR 95 4.083 -7.898 9.438 765 HH TYR 95 HH TYR 95 3.299 -11.001 10.705 766 H VAL 96 H VAL 96 1.616 -2.695 12.998 767 HA VAL 96 HA VAL 96 -0.589 -0.888 12.407 768 HB VAL 96 HB VAL 96 2.378 -0.202 12.739 769 HG11 VAL 96 HG11 VAL 96 1.569 2.106 13.208 770 HG12 VAL 96 HG12 VAL 96 -0.087 1.595 12.883 771 HG13 VAL 96 HG13 VAL 96 1.109 1.583 11.582 772 HG21 VAL 96 HG21 VAL 96 1.838 0.405 15.083 773 HG22 VAL 96 HG22 VAL 96 1.546 -1.309 14.782 774 HG23 VAL 96 HG23 VAL 96 0.188 -0.184 14.861 775 H LEU 97 H LEU 97 -1.214 -1.090 10.315 776 HA LEU 97 HA LEU 97 0.747 -1.415 8.146 777 HB2 LEU 97 HB2 LEU 97 -1.145 -2.990 8.314 778 HB3 LEU 97 HB3 LEU 97 -2.288 -1.662 8.223 779 HG LEU 97 HG LEU 97 -1.577 -1.195 5.898 780 HD11 LEU 97 HD11 LEU 97 0.755 -1.948 6.060 781 HD12 LEU 97 HD12 LEU 97 -0.076 -2.713 4.705 782 HD13 LEU 97 HD13 LEU 97 0.211 -3.625 6.190 783 HD21 LEU 97 HD21 LEU 97 -3.478 -2.708 6.291 784 HD22 LEU 97 HD22 LEU 97 -2.381 -4.092 6.344 785 HD23 LEU 97 HD23 LEU 97 -2.579 -3.179 4.848 786 H GLU 98 H GLU 98 1.464 0.455 7.238 787 HA GLU 98 HA GLU 98 -0.304 2.846 7.295 788 HB2 GLU 98 HB2 GLU 98 1.701 2.861 8.927 789 HB3 GLU 98 HB3 GLU 98 2.733 2.990 7.505 790 HG2 GLU 98 HG2 GLU 98 1.258 5.053 6.890 791 HG3 GLU 98 HG3 GLU 98 0.707 4.964 8.562 792 H ILE 99 H ILE 99 -0.980 3.057 5.241 793 HA ILE 99 HA ILE 99 0.929 3.000 2.981 794 HB ILE 99 HB ILE 99 -2.134 3.196 3.035 795 HG12 ILE 99 HG12 ILE 99 -2.040 0.980 1.781 796 HG13 ILE 99 HG13 ILE 99 -0.313 0.932 2.081 797 HG21 ILE 99 HG21 ILE 99 -2.057 3.060 0.543 798 HG22 ILE 99 HG22 ILE 99 -0.296 3.181 0.603 799 HG23 ILE 99 HG23 ILE 99 -1.293 4.529 1.156 800 HD11 ILE 99 HD11 ILE 99 -1.591 -0.514 3.562 801 HD12 ILE 99 HD12 ILE 99 -2.447 0.890 4.206 802 HD13 ILE 99 HD13 ILE 99 -0.702 0.724 4.448 803 H THR 100 H THR 100 1.944 4.974 2.693 804 HA THR 100 HA THR 100 0.515 7.480 3.258 805 HB THR 100 HB THR 100 3.411 6.944 2.542 806 HG1 THR 100 HG1 THR 100 2.622 6.578 4.745 807 HG21 THR 100 HG21 THR 100 3.839 9.357 2.887 808 HG22 THR 100 HG22 THR 100 2.101 9.643 3.002 809 HG23 THR 100 HG23 THR 100 2.804 9.075 1.485 810 H ASP 101 H ASP 101 -0.814 8.030 1.758 811 HA ASP 101 HA ASP 101 -0.296 7.778 -1.138 812 HB2 ASP 101 HB2 ASP 101 -2.302 6.605 -0.278 813 HB3 ASP 101 HB3 ASP 101 -2.871 8.080 0.496 814 H PHE 102 H PHE 102 -1.138 9.679 -2.468 815 HA PHE 102 HA PHE 102 -1.494 12.204 -0.962 816 HB2 PHE 102 HB2 PHE 102 -0.182 13.481 -2.517 817 HB3 PHE 102 HB3 PHE 102 0.797 12.104 -2.041 818 HD1 PHE 102 HD1 PHE 102 0.959 10.102 -3.695 819 HD2 PHE 102 HD2 PHE 102 -0.587 13.932 -4.828 820 HE1 PHE 102 HE1 PHE 102 1.306 9.553 -6.069 821 HE2 PHE 102 HE2 PHE 102 -0.237 13.368 -7.194 822 HZ PHE 102 HZ PHE 102 0.704 11.182 -7.815 823 H SER 103 H SER 103 -3.329 13.204 -1.389 824 HA SER 103 HA SER 103 -4.707 12.966 -3.993 825 HB2 SER 103 HB2 SER 103 -6.002 12.411 -1.280 826 HB3 SER 103 HB3 SER 103 -6.913 12.664 -2.769 827 HG SER 103 HG SER 103 -4.965 10.633 -2.387 828 H GLU 104 H GLU 104 -6.137 14.743 -4.455 829 HA GLU 104 HA GLU 104 -5.624 17.277 -3.465 830 HB2 GLU 104 HB2 GLU 104 -7.751 16.060 -5.112 831 HB3 GLU 104 HB3 GLU 104 -8.375 17.392 -4.161 832 HG2 GLU 104 HG2 GLU 104 -7.780 18.337 -6.222 833 HG3 GLU 104 HG3 GLU 104 -6.489 18.809 -5.116 834 H ALA 105 H ALA 105 -6.167 18.400 -1.601 835 HA ALA 105 HA ALA 105 -7.447 17.303 0.632 836 HB1 ALA 105 HB1 ALA 105 -7.198 20.237 -0.090 837 HB2 ALA 105 HB2 ALA 105 -5.970 19.269 0.729 838 HB3 ALA 105 HB3 ALA 105 -7.513 19.591 1.523 839 H ASP 106 H ASP 106 -8.816 18.751 -2.169 840 HA ASP 106 HA ASP 106 -11.480 19.286 -1.401 841 HB2 ASP 106 HB2 ASP 106 -10.496 18.353 -4.129 842 HB3 ASP 106 HB3 ASP 106 -11.957 19.295 -3.791 843 H GLU 107 H GLU 107 -9.870 16.274 -1.726 844 HA GLU 107 HA GLU 107 -12.370 14.731 -1.455 845 HB2 GLU 107 HB2 GLU 107 -11.636 13.052 -3.091 846 HB3 GLU 107 HB3 GLU 107 -11.751 14.631 -3.861 847 HG2 GLU 107 HG2 GLU 107 -9.323 14.894 -3.777 848 HG3 GLU 107 HG3 GLU 107 -9.157 13.376 -2.897 849 H ALA 108 H ALA 108 -9.446 15.457 -0.142 850 HA ALA 108 HA ALA 108 -8.342 12.927 0.590 851 HB1 ALA 108 HB1 ALA 108 -6.982 14.187 2.209 852 HB2 ALA 108 HB2 ALA 108 -7.990 15.618 1.968 853 HB3 ALA 108 HB3 ALA 108 -7.003 14.998 0.641 854 H ASP 109 H ASP 109 -10.686 15.085 2.099 855 HA ASP 109 HA ASP 109 -11.120 13.802 4.564 856 HB2 ASP 109 HB2 ASP 109 -13.352 14.972 4.499 857 HB3 ASP 109 HB3 ASP 109 -11.990 16.030 4.137 858 H ASP 110 H ASP 110 -12.364 13.058 1.344 859 HA ASP 110 HA ASP 110 -14.357 11.134 2.112 860 HB2 ASP 110 HB2 ASP 110 -14.414 12.344 -0.052 861 HB3 ASP 110 HB3 ASP 110 -12.922 11.561 -0.551 862 H LEU 111 H LEU 111 -11.020 10.876 0.909 863 HA LEU 111 HA LEU 111 -10.756 8.054 1.065 864 HB2 LEU 111 HB2 LEU 111 -9.295 9.953 -0.110 865 HB3 LEU 111 HB3 LEU 111 -8.404 9.942 1.393 866 HG LEU 111 HG LEU 111 -7.340 8.620 -0.451 867 HD11 LEU 111 HD11 LEU 111 -6.748 6.626 0.836 868 HD12 LEU 111 HD12 LEU 111 -8.086 6.934 1.947 869 HD13 LEU 111 HD13 LEU 111 -6.747 8.076 1.840 870 HD21 LEU 111 HD21 LEU 111 -9.365 7.786 -1.545 871 HD22 LEU 111 HD22 LEU 111 -9.701 6.736 -0.164 872 HD23 LEU 111 HD23 LEU 111 -8.261 6.467 -1.152 873 H LYS 112 H LYS 112 -10.271 10.651 3.418 874 HA LYS 112 HA LYS 112 -9.117 9.071 5.499 875 HB2 LYS 112 HB2 LYS 112 -10.228 11.876 5.353 876 HB3 LYS 112 HB3 LYS 112 -9.876 11.169 6.928 877 HG2 LYS 112 HG2 LYS 112 -7.869 11.504 4.667 878 HG3 LYS 112 HG3 LYS 112 -8.017 12.549 6.090 879 HD2 LYS 112 HD2 LYS 112 -7.513 10.601 7.555 880 HD3 LYS 112 HD3 LYS 112 -7.324 9.579 6.126 881 HE2 LYS 112 HE2 LYS 112 -5.403 10.888 5.409 882 HE3 LYS 112 HE3 LYS 112 -5.629 12.019 6.747 883 HZ1 LYS 112 HZ1 LYS 112 -3.907 10.422 7.237 884 HZ2 LYS 112 HZ2 LYS 112 -4.971 9.131 7.005 885 HZ3 LYS 112 HZ3 LYS 112 -5.213 10.211 8.290 886 H GLU 113 H GLU 113 -12.531 9.980 4.789 887 HA GLU 113 HA GLU 113 -13.480 8.958 7.323 888 HB2 GLU 113 HB2 GLU 113 -15.747 9.341 6.513 889 HB3 GLU 113 HB3 GLU 113 -14.743 10.731 6.152 890 HG2 GLU 113 HG2 GLU 113 -16.099 10.500 4.259 891 HG3 GLU 113 HG3 GLU 113 -14.564 9.799 3.768 892 H LEU 114 H LEU 114 -12.986 7.603 4.130 893 HA LEU 114 HA LEU 114 -14.097 5.032 4.457 894 HB2 LEU 114 HB2 LEU 114 -13.273 5.851 2.303 895 HB3 LEU 114 HB3 LEU 114 -11.636 5.966 2.929 896 HG LEU 114 HG LEU 114 -11.584 3.456 3.145 897 HD11 LEU 114 HD11 LEU 114 -13.969 2.995 3.358 898 HD12 LEU 114 HD12 LEU 114 -13.283 2.093 2.009 899 HD13 LEU 114 HD13 LEU 114 -14.250 3.539 1.702 900 HD21 LEU 114 HD21 LEU 114 -10.597 4.547 1.186 901 HD22 LEU 114 HD22 LEU 114 -12.148 4.486 0.344 902 HD23 LEU 114 HD23 LEU 114 -11.301 2.991 0.749 903 H TRP 115 H TRP 115 -10.736 6.105 4.989 904 HA TRP 115 HA TRP 115 -9.629 3.918 6.292 905 HB2 TRP 115 HB2 TRP 115 -8.163 5.665 5.606 906 HB3 TRP 115 HB3 TRP 115 -9.095 6.901 6.436 907 HD1 TRP 115 HD1 TRP 115 -6.686 3.972 7.291 908 HE1 TRP 115 HE1 TRP 115 -5.518 4.534 9.499 909 HE3 TRP 115 HE3 TRP 115 -9.146 8.300 8.478 910 HZ2 TRP 115 HZ2 TRP 115 -5.590 6.518 11.492 911 HZ3 TRP 115 HZ3 TRP 115 -8.550 9.464 10.566 912 HH2 TRP 115 HH2 TRP 115 -6.806 8.587 12.045 913 H ASP 116 H ASP 116 -11.316 6.681 7.746 914 HA ASP 116 HA ASP 116 -10.934 6.029 10.470 915 HB2 ASP 116 HB2 ASP 116 -11.430 8.310 9.525 916 HB3 ASP 116 HB3 ASP 116 -13.081 7.787 9.197 917 H SER 117 H SER 117 -13.490 5.237 8.170 918 HA SER 117 HA SER 117 -15.298 3.991 10.013 919 HB2 SER 117 HB2 SER 117 -15.967 4.803 7.730 920 HB3 SER 117 HB3 SER 117 -15.027 3.491 7.017 921 HG SER 117 HG SER 117 -17.487 3.344 7.629 922 H GLN 118 H GLN 118 -12.512 2.875 8.115 923 HA GLN 118 HA GLN 118 -12.704 0.102 8.819 924 HB2 GLN 118 HB2 GLN 118 -10.289 1.721 7.911 925 HB3 GLN 118 HB3 GLN 118 -10.310 -0.033 8.074 926 HG2 GLN 118 HG2 GLN 118 -11.939 1.626 6.122 927 HG3 GLN 118 HG3 GLN 118 -10.553 0.608 5.740 928 HE21 GLN 118 HE21 GLN 118 -13.939 0.648 6.523 929 HE22 GLN 118 HE22 GLN 118 -14.255 -1.006 6.155 930 H VAL 119 H VAL 119 -11.259 2.924 10.424 931 HA VAL 119 HA VAL 119 -9.809 1.489 12.433 932 HB VAL 119 HB VAL 119 -10.881 4.346 12.579 933 HG11 VAL 119 HG11 VAL 119 -10.255 3.485 14.812 934 HG12 VAL 119 HG12 VAL 119 -9.116 4.724 14.285 935 HG13 VAL 119 HG13 VAL 119 -8.665 3.018 14.202 936 HG21 VAL 119 HG21 VAL 119 -9.411 4.062 10.627 937 HG22 VAL 119 HG22 VAL 119 -8.158 3.353 11.644 938 HG23 VAL 119 HG23 VAL 119 -8.611 5.046 11.852 939 H SER 120 H SER 120 -13.101 2.842 12.303 940 HA SER 120 HA SER 120 -14.001 1.943 14.847 941 HB2 SER 120 HB2 SER 120 -15.581 2.447 12.290 942 HB3 SER 120 HB3 SER 120 -16.297 2.229 13.891 943 HG SER 120 HG SER 120 -16.098 4.384 13.690 944 H LYS 121 H LYS 121 -13.887 0.369 11.674 945 HA LYS 121 HA LYS 121 -15.172 -2.078 12.297 946 HB2 LYS 121 HB2 LYS 121 -14.815 -1.437 9.995 947 HB3 LYS 121 HB3 LYS 121 -13.078 -1.329 10.229 948 HG2 LYS 121 HG2 LYS 121 -12.992 -3.807 10.531 949 HG3 LYS 121 HG3 LYS 121 -14.728 -3.880 10.197 950 HD2 LYS 121 HD2 LYS 121 -14.339 -2.939 7.943 951 HD3 LYS 121 HD3 LYS 121 -12.610 -2.805 8.281 952 HE2 LYS 121 HE2 LYS 121 -12.423 -5.246 8.417 953 HE3 LYS 121 HE3 LYS 121 -14.168 -5.419 8.192 954 HZ1 LYS 121 HZ1 LYS 121 -12.900 -5.792 6.153 955 HZ2 LYS 121 HZ2 LYS 121 -12.324 -4.203 6.208 956 HZ3 LYS 121 HZ3 LYS 121 -13.974 -4.499 6.003 957 H LEU 122 H LEU 122 -11.795 -1.014 12.773 958 HA LEU 122 HA LEU 122 -10.557 -3.461 13.396 959 HB2 LEU 122 HB2 LEU 122 -9.950 -0.735 14.604 960 HB3 LEU 122 HB3 LEU 122 -8.885 -2.131 14.677 961 HG LEU 122 HG LEU 122 -9.673 -0.633 12.153 962 HD11 LEU 122 HD11 LEU 122 -7.038 -0.656 13.633 963 HD12 LEU 122 HD12 LEU 122 -8.178 0.688 13.530 964 HD13 LEU 122 HD13 LEU 122 -7.348 0.127 12.080 965 HD21 LEU 122 HD21 LEU 122 -8.027 -2.028 10.980 966 HD22 LEU 122 HD22 LEU 122 -9.327 -3.004 11.661 967 HD23 LEU 122 HD23 LEU 122 -7.751 -2.957 12.456 968 H ARG 123 H ARG 123 -12.461 -1.278 15.438 969 HA ARG 123 HA ARG 123 -11.998 -2.422 17.957 970 HB2 ARG 123 HB2 ARG 123 -13.148 -0.186 17.360 971 HB3 ARG 123 HB3 ARG 123 -14.620 -1.110 17.135 972 HG2 ARG 123 HG2 ARG 123 -13.204 -1.379 19.778 973 HG3 ARG 123 HG3 ARG 123 -14.009 0.149 19.439 974 HD2 ARG 123 HD2 ARG 123 -15.650 -1.055 20.597 975 HD3 ARG 123 HD3 ARG 123 -16.106 -1.312 18.917 976 HE ARG 123 HE ARG 123 -14.428 -3.413 19.860 977 HH11 ARG 123 HH11 ARG 123 -17.718 -2.331 20.058 978 HH12 ARG 123 HH12 ARG 123 -18.314 -3.924 20.357 979 HH21 ARG 123 HH21 ARG 123 -15.221 -5.403 20.262 980 HH22 ARG 123 HH22 ARG 123 -16.922 -5.640 20.458 981 H ARG 124 H ARG 124 -14.549 -3.224 15.541 982 HA ARG 124 HA ARG 124 -15.813 -5.137 17.314 983 HB2 ARG 124 HB2 ARG 124 -17.422 -5.519 15.584 984 HB3 ARG 124 HB3 ARG 124 -17.072 -3.795 15.599 985 HG2 ARG 124 HG2 ARG 124 -15.628 -4.068 13.605 986 HG3 ARG 124 HG3 ARG 124 -15.961 -5.803 13.604 987 HD2 ARG 124 HD2 ARG 124 -17.949 -3.555 13.112 988 HD3 ARG 124 HD3 ARG 124 -17.368 -4.744 11.939 989 HE ARG 124 HE ARG 124 -18.756 -5.809 14.272 990 HH11 ARG 124 HH11 ARG 124 -19.058 -4.924 10.941 991 HH12 ARG 124 HH12 ARG 124 -20.550 -5.771 10.757 992 HH21 ARG 124 HH21 ARG 124 -20.649 -6.863 14.004 993 HH22 ARG 124 HH22 ARG 124 -21.442 -6.846 12.468 994 H THR 125 H THR 125 -13.323 -5.360 14.834 995 HA THR 125 HA THR 125 -13.538 -8.282 14.598 996 HB THR 125 HB THR 125 -13.093 -6.879 12.551 997 HG1 THR 125 HG1 THR 125 -10.887 -8.615 12.950 998 HG21 THR 125 HG21 THR 125 -10.816 -6.050 12.103 999 HG22 THR 125 HG22 THR 125 -10.312 -6.504 13.732 1000 HG23 THR 125 HG23 THR 125 -11.509 -5.227 13.502 1001 H CYS 126 H CYS 126 -11.732 -6.013 16.478 1002 HA CYS 126 HA CYS 126 -9.875 -8.099 17.446 1003 HB2 CYS 126 HB2 CYS 126 -8.594 -6.925 15.737 1004 HB3 CYS 126 HB3 CYS 126 -9.055 -5.359 16.394 1005 HG CYS 126 HG CYS 126 -7.468 -5.451 18.601 1006 H GLY 127 H GLY 127 -8.895 -7.600 19.541 1007 HA2 GLY 127 HA2 GLY 127 -10.683 -6.059 21.300 1008 HA3 GLY 127 HA3 GLY 127 -9.468 -7.225 21.804 1009 H PHE 128 H PHE 128 -9.874 -4.690 22.992 1010 HA PHE 128 HA PHE 128 -8.708 -3.050 23.993 1011 HB2 PHE 128 HB2 PHE 128 -6.376 -4.581 22.815 1012 HB3 PHE 128 HB3 PHE 128 -6.112 -3.118 23.754 1013 HD1 PHE 128 HD2 PHE 128 -7.295 -6.626 23.918 1014 HD2 PHE 128 HD1 PHE 128 -6.394 -3.102 26.169 1015 HE1 PHE 128 HE2 PHE 128 -7.378 -7.926 26.005 1016 HE2 PHE 128 HE1 PHE 128 -6.482 -4.411 28.245 1017 HZ PHE 128 HZ PHE 128 -6.974 -6.819 28.167 1018 H LEU 129 H LEU 129 -9.683 -2.603 21.145 1019 HA LEU 129 HA LEU 129 -8.023 -0.367 20.308 1020 HB2 LEU 129 HB2 LEU 129 -10.734 -1.356 19.372 1021 HB3 LEU 129 HB3 LEU 129 -10.083 0.176 18.818 1022 HG LEU 129 HG LEU 129 -9.649 -1.467 17.123 1023 HD11 LEU 129 HD11 LEU 129 -7.220 -1.369 16.888 1024 HD12 LEU 129 HD12 LEU 129 -7.058 -0.903 18.584 1025 HD13 LEU 129 HD13 LEU 129 -7.876 0.169 17.445 1026 HD21 LEU 129 HD21 LEU 129 -9.832 -3.514 18.426 1027 HD22 LEU 129 HD22 LEU 129 -8.288 -3.187 19.219 1028 HD23 LEU 129 HD23 LEU 129 -8.344 -3.511 17.483 1029 H GLU 130 H GLU 130 -7.974 1.497 21.329 1030 HA GLU 130 HA GLU 130 -9.895 2.329 23.315 1031 HB2 GLU 130 HB2 GLU 130 -8.380 4.306 23.578 1032 HB3 GLU 130 HB3 GLU 130 -7.526 2.769 23.661 1033 HG2 GLU 130 HG2 GLU 130 -6.745 3.076 21.329 1034 HG3 GLU 130 HG3 GLU 130 -7.611 4.615 21.249 1035 H HIS 131 H HIS 131 -9.775 5.228 22.780 1036 HA HIS 131 HA HIS 131 -12.171 5.615 21.414 1037 HB2 HIS 131 HB2 HIS 131 -9.961 7.620 22.032 1038 HB3 HIS 131 HB3 HIS 131 -11.559 8.066 21.437 1039 HD1 HIS 131 HD1 HIS 131 -9.746 7.491 24.520 1040 HD2 HIS 131 HD2 HIS 131 -13.704 7.222 23.292 1041 HE1 HIS 131 HE1 HIS 131 -11.096 7.472 26.629 1042 HE2 HIS 131 HE2 HIS 131 -13.470 7.155 25.868 1043 H HIS 132 H HIS 132 -12.694 5.639 19.381 1044 HA HIS 132 HA HIS 132 -10.806 6.339 17.210 1045 HB2 HIS 132 HB2 HIS 132 -11.764 4.453 15.850 1046 HB3 HIS 132 HB3 HIS 132 -10.895 3.888 17.274 1047 HD1 HIS 132 HD1 HIS 132 -14.360 4.183 15.858 1048 HD2 HIS 132 HD2 HIS 132 -12.461 2.535 19.164 1049 HE1 HIS 132 HE1 HIS 132 -16.096 2.798 17.004 1050 HE2 HIS 132 HE2 HIS 132 -14.991 1.996 19.106 1051 H HIS 133 H HIS 133 -12.025 6.856 15.133 1052 HA HIS 133 HA HIS 133 -13.384 8.311 14.033 1053 HB2 HIS 133 HB2 HIS 133 -15.037 6.451 14.347 1054 HB3 HIS 133 HB3 HIS 133 -15.581 7.188 15.840 1055 HD1 HIS 133 HD1 HIS 133 -16.674 9.706 15.477 1056 HD2 HIS 133 HD2 HIS 133 -16.495 7.208 12.158 1057 HE1 HIS 133 HE1 HIS 133 -18.317 10.653 13.836 1058 HE2 HIS 133 HE2 HIS 133 -18.122 9.191 11.807 1059 H HIS 134 H HIS 134 -11.985 9.869 15.213 1060 HA HIS 134 HA HIS 134 -12.856 11.085 17.667 1061 HB2 HIS 134 HB2 HIS 134 -10.425 10.801 16.832 1062 HB3 HIS 134 HB3 HIS 134 -10.712 12.211 15.821 1063 HD1 HIS 134 HD1 HIS 134 -9.853 14.294 16.911 1064 HD2 HIS 134 HD2 HIS 134 -11.129 11.518 19.726 1065 HE1 HIS 134 HE1 HIS 134 -9.370 15.333 19.145 1066 HE2 HIS 134 HE2 HIS 134 -10.286 13.706 20.821 1067 H HIS 135 H HIS 135 -13.540 11.706 14.354 1068 HA HIS 135 HA HIS 135 -14.220 14.448 14.364 1069 HB2 HIS 135 HB2 HIS 135 -13.945 12.938 12.332 1070 HB3 HIS 135 HB3 HIS 135 -15.513 12.240 12.697 1071 HD1 HIS 135 HD1 HIS 135 -14.058 14.612 10.535 1072 HD2 HIS 135 HD2 HIS 135 -17.582 14.549 12.736 1073 HE1 HIS 135 HE1 HIS 135 -15.568 16.280 9.432 1074 HE2 HIS 135 HE2 HIS 135 -17.741 16.099 10.676 1075 H HIS 136 H HIS 136 -15.521 15.206 15.988 1076 HA HIS 136 HA HIS 136 -17.738 13.778 17.120 1077 HB2 HIS 136 HB2 HIS 136 -18.116 15.851 18.466 1078 HB3 HIS 136 HB3 HIS 136 -16.447 15.305 18.531 1079 HD1 HIS 136 HD1 HIS 136 -18.585 18.014 16.984 1080 HD2 HIS 136 HD2 HIS 136 -14.572 17.184 17.677 1081 HE1 HIS 136 HE1 HIS 136 -17.351 20.120 16.403 1082 HE2 HIS 136 HE2 HIS 136 -14.937 19.607 16.858 Start of MODEL 10 1 H1 MET 1 H1 MET 1 0.443 25.938 -6.420 2 H2 MET 1 H2 MET 1 0.558 25.862 -4.734 3 H3 MET 1 H3 MET 1 -0.541 26.921 -5.457 4 HA MET 1 HA MET 1 -1.698 25.016 -4.586 5 HB2 MET 1 HB2 MET 1 -1.561 24.952 -7.634 6 HB3 MET 1 HB3 MET 1 -2.879 24.314 -6.658 7 HG2 MET 1 HG2 MET 1 -2.089 27.237 -6.792 8 HG3 MET 1 HG3 MET 1 -3.399 26.493 -7.711 9 HE1 MET 1 HE1 MET 1 -5.079 28.319 -6.786 10 HE2 MET 1 HE2 MET 1 -3.829 29.078 -5.795 11 HE3 MET 1 HE3 MET 1 -5.371 28.617 -5.073 12 H LYS 2 H LYS 2 -1.356 22.964 -3.837 13 HA LYS 2 HA LYS 2 -0.179 20.895 -5.502 14 HB2 LYS 2 HB2 LYS 2 1.849 21.963 -4.520 15 HB3 LYS 2 HB3 LYS 2 1.215 21.696 -2.902 16 HG2 LYS 2 HG2 LYS 2 2.937 20.036 -3.458 17 HG3 LYS 2 HG3 LYS 2 1.367 19.258 -3.219 18 HD2 LYS 2 HD2 LYS 2 1.070 19.234 -5.731 19 HD3 LYS 2 HD3 LYS 2 2.715 19.860 -5.891 20 HE2 LYS 2 HE2 LYS 2 1.938 17.215 -4.606 21 HE3 LYS 2 HE3 LYS 2 2.625 17.415 -6.219 22 HZ1 LYS 2 HZ1 LYS 2 3.960 18.102 -3.658 23 HZ2 LYS 2 HZ2 LYS 2 4.624 18.336 -5.195 24 HZ3 LYS 2 HZ3 LYS 2 4.307 16.771 -4.640 25 H LYS 3 H LYS 3 -0.813 18.854 -4.921 26 HA LYS 3 HA LYS 3 -3.027 18.465 -3.206 27 HB2 LYS 3 HB2 LYS 3 -1.154 16.390 -4.413 28 HB3 LYS 3 HB3 LYS 3 -2.730 16.054 -3.694 29 HG2 LYS 3 HG2 LYS 3 -3.703 17.629 -5.481 30 HG3 LYS 3 HG3 LYS 3 -2.125 17.530 -6.274 31 HD2 LYS 3 HD2 LYS 3 -3.994 15.206 -5.645 32 HD3 LYS 3 HD3 LYS 3 -3.702 15.901 -7.240 33 HE2 LYS 3 HE2 LYS 3 -1.351 15.145 -7.164 34 HE3 LYS 3 HE3 LYS 3 -1.584 14.517 -5.536 35 HZ1 LYS 3 HZ1 LYS 3 -3.049 13.533 -7.921 36 HZ2 LYS 3 HZ2 LYS 3 -3.071 12.867 -6.367 37 HZ3 LYS 3 HZ3 LYS 3 -1.649 12.820 -7.293 38 H GLU 4 H GLU 4 -3.227 17.344 -1.260 39 HA GLU 4 HA GLU 4 -1.048 17.522 0.618 40 HB2 GLU 4 HB2 GLU 4 -3.358 18.043 1.296 41 HB3 GLU 4 HB3 GLU 4 -3.872 16.406 0.901 42 HG2 GLU 4 HG2 GLU 4 -2.319 15.559 2.704 43 HG3 GLU 4 HG3 GLU 4 -1.988 17.236 3.140 44 H LYS 5 H LYS 5 0.422 15.935 1.057 45 HA LYS 5 HA LYS 5 0.087 13.184 0.204 46 HB2 LYS 5 HB2 LYS 5 2.361 14.239 0.373 47 HB3 LYS 5 HB3 LYS 5 2.157 14.348 2.121 48 HG2 LYS 5 HG2 LYS 5 1.854 11.787 2.100 49 HG3 LYS 5 HG3 LYS 5 2.397 11.841 0.425 50 HD2 LYS 5 HD2 LYS 5 4.275 11.265 1.832 51 HD3 LYS 5 HD3 LYS 5 4.538 12.892 1.195 52 HE2 LYS 5 HE2 LYS 5 3.931 13.895 3.308 53 HE3 LYS 5 HE3 LYS 5 3.362 12.352 3.950 54 HZ1 LYS 5 HZ1 LYS 5 5.499 12.811 4.841 55 HZ2 LYS 5 HZ2 LYS 5 6.158 13.091 3.311 56 HZ3 LYS 5 HZ3 LYS 5 5.663 11.532 3.747 57 H ILE 6 H ILE 6 -0.584 11.470 1.474 58 HA ILE 6 HA ILE 6 -1.357 11.951 4.281 59 HB ILE 6 HB ILE 6 -3.602 10.996 3.984 60 HG12 ILE 6 HG12 ILE 6 -2.875 10.785 1.026 61 HG13 ILE 6 HG13 ILE 6 -3.285 9.467 2.128 62 HG21 ILE 6 HG21 ILE 6 -4.709 12.841 2.783 63 HG22 ILE 6 HG22 ILE 6 -3.178 13.287 2.027 64 HG23 ILE 6 HG23 ILE 6 -3.378 13.448 3.773 65 HD11 ILE 6 HD11 ILE 6 -5.582 10.315 2.252 66 HD12 ILE 6 HD12 ILE 6 -5.089 9.911 0.608 67 HD13 ILE 6 HD13 ILE 6 -5.159 11.597 1.113 68 H HIS 7 H HIS 7 -0.708 10.302 5.549 69 HA HIS 7 HA HIS 7 -0.459 7.572 4.413 70 HB2 HIS 7 HB2 HIS 7 0.979 7.112 6.479 71 HB3 HIS 7 HB3 HIS 7 1.664 8.201 5.280 72 HD1 HIS 7 HD1 HIS 7 0.319 8.145 8.780 73 HD2 HIS 7 HD2 HIS 7 2.118 10.824 6.164 74 HE1 HIS 7 HE1 HIS 7 0.937 10.132 10.176 75 HE2 HIS 7 HE2 HIS 7 1.885 11.794 8.544 76 H LEU 8 H LEU 8 -2.104 6.279 4.859 77 HA LEU 8 HA LEU 8 -3.968 6.928 7.040 78 HB2 LEU 8 HB2 LEU 8 -4.233 5.475 4.411 79 HB3 LEU 8 HB3 LEU 8 -5.334 5.039 5.702 80 HG LEU 8 HG LEU 8 -6.207 7.331 5.814 81 HD11 LEU 8 HD11 LEU 8 -4.305 8.017 3.565 82 HD12 LEU 8 HD12 LEU 8 -4.225 8.607 5.227 83 HD13 LEU 8 HD13 LEU 8 -5.582 9.057 4.200 84 HD21 LEU 8 HD21 LEU 8 -6.215 6.271 2.970 85 HD22 LEU 8 HD22 LEU 8 -7.376 7.412 3.658 86 HD23 LEU 8 HD23 LEU 8 -7.292 5.763 4.275 87 H GLU 9 H GLU 9 -3.808 5.817 8.866 88 HA GLU 9 HA GLU 9 -2.085 3.464 9.031 89 HB2 GLU 9 HB2 GLU 9 -1.624 5.279 10.600 90 HB3 GLU 9 HB3 GLU 9 -3.294 5.283 11.159 91 HG2 GLU 9 HG2 GLU 9 -2.888 2.910 12.026 92 HG3 GLU 9 HG3 GLU 9 -1.178 3.167 11.667 93 H TYR 10 H TYR 10 -2.812 1.437 9.314 94 HA TYR 10 HA TYR 10 -5.585 0.937 10.246 95 HB2 TYR 10 HB2 TYR 10 -4.033 -0.632 8.137 96 HB3 TYR 10 HB3 TYR 10 -5.689 -0.928 8.648 97 HD1 TYR 10 HD1 TYR 10 -7.243 1.348 8.464 98 HD2 TYR 10 HD2 TYR 10 -3.817 0.450 6.063 99 HE1 TYR 10 HE1 TYR 10 -8.069 2.855 6.711 100 HE2 TYR 10 HE2 TYR 10 -4.653 1.954 4.311 101 HH TYR 10 HH TYR 10 -7.268 4.112 4.823 102 H LEU 11 H LEU 11 -5.832 -0.646 11.796 103 HA LEU 11 HA LEU 11 -3.499 -2.088 12.795 104 HB2 LEU 11 HB2 LEU 11 -4.888 -2.973 14.558 105 HB3 LEU 11 HB3 LEU 11 -5.191 -1.256 14.434 106 HG LEU 11 HG LEU 11 -7.087 -3.397 13.361 107 HD11 LEU 11 HD11 LEU 11 -7.292 -1.863 15.967 108 HD12 LEU 11 HD12 LEU 11 -6.950 -3.586 15.787 109 HD13 LEU 11 HD13 LEU 11 -8.517 -2.948 15.298 110 HD21 LEU 11 HD21 LEU 11 -7.339 -1.248 12.216 111 HD22 LEU 11 HD22 LEU 11 -7.544 -0.426 13.764 112 HD23 LEU 11 HD23 LEU 11 -8.745 -1.602 13.219 113 H LEU 12 H LEU 12 -2.818 -3.607 11.401 114 HA LEU 12 HA LEU 12 -4.789 -5.375 10.084 115 HB2 LEU 12 HB2 LEU 12 -2.680 -4.034 8.926 116 HB3 LEU 12 HB3 LEU 12 -1.908 -5.571 9.265 117 HG LEU 12 HG LEU 12 -2.736 -5.671 7.009 118 HD11 LEU 12 HD11 LEU 12 -4.713 -7.243 8.688 119 HD12 LEU 12 HD12 LEU 12 -3.069 -7.747 8.295 120 HD13 LEU 12 HD13 LEU 12 -4.256 -7.562 7.010 121 HD21 LEU 12 HD21 LEU 12 -5.062 -5.243 6.364 122 HD22 LEU 12 HD22 LEU 12 -4.339 -3.820 7.110 123 HD23 LEU 12 HD23 LEU 12 -5.464 -4.820 8.032 124 H ASN 13 H ASN 13 -5.160 -7.223 11.067 125 HA ASN 13 HA ASN 13 -3.404 -8.387 13.057 126 HB2 ASN 13 HB2 ASN 13 -5.939 -9.553 11.823 127 HB3 ASN 13 HB3 ASN 13 -5.181 -10.038 13.335 128 HD21 ASN 13 HD21 ASN 13 -4.645 -7.338 14.295 129 HD22 ASN 13 HD22 ASN 13 -6.172 -6.659 14.704 130 H ALA 14 H ALA 14 -1.880 -9.936 12.682 131 HA ALA 14 HA ALA 14 -0.927 -10.321 10.051 132 HB1 ALA 14 HB1 ALA 14 0.544 -10.158 12.011 133 HB2 ALA 14 HB2 ALA 14 0.864 -11.630 11.095 134 HB3 ALA 14 HB3 ALA 14 -0.051 -11.710 12.605 135 H THR 15 H THR 15 -2.697 -11.366 8.946 136 HA THR 15 HA THR 15 -3.411 -14.122 9.408 137 HB THR 15 HB THR 15 -3.753 -12.400 6.893 138 HG1 THR 15 HG1 THR 15 -6.024 -12.432 7.843 139 HG21 THR 15 HG21 THR 15 -5.548 -13.986 6.262 140 HG22 THR 15 HG22 THR 15 -5.169 -14.990 7.662 141 HG23 THR 15 HG23 THR 15 -3.989 -14.806 6.362 142 H SER 16 H SER 16 -1.194 -12.407 7.250 143 HA SER 16 HA SER 16 0.230 -14.926 6.570 144 HB2 SER 16 HB2 SER 16 -0.191 -12.474 4.788 145 HB3 SER 16 HB3 SER 16 0.760 -13.898 4.357 146 HG SER 16 HG SER 16 -1.706 -13.572 3.826 147 H LYS 17 H LYS 17 0.683 -13.032 8.784 148 HA LYS 17 HA LYS 17 2.219 -11.773 9.854 149 HB2 LYS 17 HB2 LYS 17 3.430 -13.971 9.444 150 HB3 LYS 17 HB3 LYS 17 4.251 -13.195 8.096 151 HG2 LYS 17 HG2 LYS 17 5.281 -11.580 9.640 152 HG3 LYS 17 HG3 LYS 17 4.432 -12.312 11.002 153 HD2 LYS 17 HD2 LYS 17 6.354 -13.904 9.261 154 HD3 LYS 17 HD3 LYS 17 6.921 -12.948 10.629 155 HE2 LYS 17 HE2 LYS 17 6.659 -15.289 11.278 156 HE3 LYS 17 HE3 LYS 17 5.497 -14.298 12.152 157 HZ1 LYS 17 HZ1 LYS 17 4.865 -15.868 9.719 158 HZ2 LYS 17 HZ2 LYS 17 3.765 -15.051 10.709 159 HZ3 LYS 17 HZ3 LYS 17 4.592 -16.404 11.290 160 H ASN 18 H ASN 18 4.864 -11.217 7.848 161 HA ASN 18 HA ASN 18 4.053 -8.555 7.152 162 HB2 ASN 18 HB2 ASN 18 6.290 -8.363 6.103 163 HB3 ASN 18 HB3 ASN 18 6.348 -8.902 7.774 164 HD21 ASN 18 HD21 ASN 18 8.247 -9.218 5.463 165 HD22 ASN 18 HD22 ASN 18 8.582 -10.910 5.404 166 H ILE 19 H ILE 19 4.001 -11.600 5.439 167 HA ILE 19 HA ILE 19 4.337 -10.806 2.776 168 HB ILE 19 HB ILE 19 2.737 -13.182 3.831 169 HG12 ILE 19 HG12 ILE 19 4.895 -14.441 2.916 170 HG13 ILE 19 HG13 ILE 19 5.665 -12.866 3.041 171 HG21 ILE 19 HG21 ILE 19 3.683 -12.722 0.975 172 HG22 ILE 19 HG22 ILE 19 2.011 -12.758 1.535 173 HG23 ILE 19 HG23 ILE 19 2.985 -14.225 1.588 174 HD11 ILE 19 HD11 ILE 19 4.435 -14.455 5.285 175 HD12 ILE 19 HD12 ILE 19 5.180 -12.862 5.445 176 HD13 ILE 19 HD13 ILE 19 6.154 -14.244 4.945 177 H LEU 20 H LEU 20 1.615 -10.213 4.812 178 HA LEU 20 HA LEU 20 -0.689 -10.157 3.382 179 HB2 LEU 20 HB2 LEU 20 0.386 -7.939 5.160 180 HB3 LEU 20 HB3 LEU 20 -1.297 -8.053 4.672 181 HG LEU 20 HG LEU 20 0.066 -10.255 6.273 182 HD11 LEU 20 HD11 LEU 20 0.284 -8.181 7.562 183 HD12 LEU 20 HD12 LEU 20 -0.885 -9.272 8.312 184 HD13 LEU 20 HD13 LEU 20 -1.449 -7.875 7.393 185 HD21 LEU 20 HD21 LEU 20 -2.016 -10.899 5.135 186 HD22 LEU 20 HD22 LEU 20 -2.870 -9.548 5.891 187 HD23 LEU 20 HD23 LEU 20 -2.240 -10.867 6.883 188 H TRP 21 H TRP 21 1.366 -7.210 3.516 189 HA TRP 21 HA TRP 21 0.562 -6.477 0.780 190 HB2 TRP 21 HB2 TRP 21 1.661 -4.894 3.107 191 HB3 TRP 21 HB3 TRP 21 1.812 -4.268 1.469 192 HD1 TRP 21 HD1 TRP 21 -0.859 -4.968 4.157 193 HE1 TRP 21 HE1 TRP 21 -3.023 -3.762 3.460 194 HE3 TRP 21 HE3 TRP 21 0.487 -3.509 -0.562 195 HZ2 TRP 21 HZ2 TRP 21 -4.033 -2.372 1.219 196 HZ3 TRP 21 HZ3 TRP 21 -1.137 -2.248 -1.923 197 HH2 TRP 21 HH2 TRP 21 -3.354 -1.693 -1.049 198 H SER 22 H SER 22 3.377 -7.587 2.586 199 HA SER 22 HA SER 22 5.462 -6.665 0.929 200 HB2 SER 22 HB2 SER 22 5.916 -7.701 3.105 201 HB3 SER 22 HB3 SER 22 5.350 -9.261 2.518 202 HG SER 22 HG SER 22 7.708 -7.854 1.865 203 H ALA 23 H ALA 23 3.115 -9.093 0.224 204 HA ALA 23 HA ALA 23 4.278 -10.707 -1.729 205 HB1 ALA 23 HB1 ALA 23 1.463 -9.586 -1.723 206 HB2 ALA 23 HB2 ALA 23 1.998 -11.009 -0.829 207 HB3 ALA 23 HB3 ALA 23 2.006 -11.025 -2.595 208 H ILE 24 H ILE 24 3.313 -7.325 -1.996 209 HA ILE 24 HA ILE 24 3.126 -7.191 -4.836 210 HB ILE 24 HB ILE 24 3.031 -4.759 -4.608 211 HG12 ILE 24 HG12 ILE 24 3.953 -5.257 -1.740 212 HG13 ILE 24 HG13 ILE 24 4.759 -4.289 -2.965 213 HG21 ILE 24 HG21 ILE 24 1.051 -4.597 -3.139 214 HG22 ILE 24 HG22 ILE 24 1.449 -6.156 -2.414 215 HG23 ILE 24 HG23 ILE 24 0.998 -6.065 -4.119 216 HD11 ILE 24 HD11 ILE 24 3.762 -2.866 -1.325 217 HD12 ILE 24 HD12 ILE 24 2.195 -3.638 -1.526 218 HD13 ILE 24 HD13 ILE 24 2.877 -2.671 -2.839 219 H SER 25 H SER 25 5.890 -7.330 -2.829 220 HA SER 25 HA SER 25 7.750 -5.832 -4.417 221 HB2 SER 25 HB2 SER 25 9.468 -6.833 -3.019 222 HB3 SER 25 HB3 SER 25 8.083 -6.446 -1.999 223 HG SER 25 HG SER 25 9.254 -8.803 -2.329 224 H THR 26 H THR 26 6.551 -9.125 -4.531 225 HA THR 26 HA THR 26 8.473 -9.917 -6.635 226 HB THR 26 HB THR 26 7.543 -12.231 -6.338 227 HG1 THR 26 HG1 THR 26 6.305 -12.068 -4.035 228 HG21 THR 26 HG21 THR 26 9.529 -11.595 -5.048 229 HG22 THR 26 HG22 THR 26 8.506 -12.687 -4.112 230 HG23 THR 26 HG23 THR 26 8.512 -10.957 -3.752 231 HA PRO 27 HA PRO 27 5.356 -9.738 -9.957 232 HB2 PRO 27 HB2 PRO 27 6.108 -12.116 -11.276 233 HB3 PRO 27 HB3 PRO 27 6.834 -10.526 -11.546 234 HG2 PRO 27 HG2 PRO 27 7.774 -12.760 -9.729 235 HG3 PRO 27 HG3 PRO 27 8.721 -11.747 -10.849 236 HD2 PRO 27 HD2 PRO 27 8.757 -11.223 -8.250 237 HD3 PRO 27 HD3 PRO 27 8.634 -9.873 -9.405 238 H THR 28 H THR 28 5.923 -13.150 -8.973 239 HA THR 28 HA THR 28 3.404 -14.180 -9.329 240 HB THR 28 HB THR 28 5.361 -15.595 -8.966 241 HG1 THR 28 HG1 THR 28 3.335 -16.050 -7.005 242 HG21 THR 28 HG21 THR 28 5.265 -14.751 -6.043 243 HG22 THR 28 HG22 THR 28 6.520 -14.302 -7.200 244 HG23 THR 28 HG23 THR 28 6.322 -15.991 -6.725 245 H GLY 29 H GLY 29 4.569 -12.438 -6.443 246 HA2 GLY 29 HA2 GLY 29 2.319 -13.093 -4.754 247 HA3 GLY 29 HA3 GLY 29 3.565 -11.898 -4.431 248 H LEU 30 H LEU 30 3.301 -10.181 -6.528 249 HA LEU 30 HA LEU 30 1.266 -8.407 -5.808 250 HB2 LEU 30 HB2 LEU 30 3.503 -8.317 -7.434 251 HB3 LEU 30 HB3 LEU 30 2.242 -8.208 -8.633 252 HG LEU 30 HG LEU 30 2.784 -6.271 -6.366 253 HD11 LEU 30 HD11 LEU 30 2.956 -5.878 -9.355 254 HD12 LEU 30 HD12 LEU 30 4.314 -6.044 -8.239 255 HD13 LEU 30 HD13 LEU 30 3.248 -4.646 -8.122 256 HD21 LEU 30 HD21 LEU 30 0.380 -6.427 -6.605 257 HD22 LEU 30 HD22 LEU 30 0.507 -6.137 -8.342 258 HD23 LEU 30 HD23 LEU 30 0.966 -4.873 -7.198 259 H GLU 31 H GLU 31 1.363 -10.649 -8.587 260 HA GLU 31 HA GLU 31 -1.135 -9.763 -9.702 261 HB2 GLU 31 HB2 GLU 31 -0.807 -11.550 -11.357 262 HB3 GLU 31 HB3 GLU 31 0.651 -10.588 -11.141 263 HG2 GLU 31 HG2 GLU 31 1.608 -12.378 -9.718 264 HG3 GLU 31 HG3 GLU 31 0.154 -13.346 -9.966 265 H ASP 32 H ASP 32 -0.606 -11.827 -7.066 266 HA ASP 32 HA ASP 32 -2.629 -13.779 -7.402 267 HB2 ASP 32 HB2 ASP 32 -1.453 -12.545 -4.890 268 HB3 ASP 32 HB3 ASP 32 -2.611 -13.871 -4.842 269 H TRP 33 H TRP 33 -2.848 -10.395 -6.529 270 HA TRP 33 HA TRP 33 -5.725 -10.624 -5.923 271 HB2 TRP 33 HB2 TRP 33 -5.446 -9.291 -3.816 272 HB3 TRP 33 HB3 TRP 33 -4.726 -10.888 -3.743 273 HD1 TRP 33 HD1 TRP 33 -1.819 -10.363 -4.883 274 HE1 TRP 33 HE1 TRP 33 -0.152 -8.933 -3.565 275 HE3 TRP 33 HE3 TRP 33 -5.114 -7.742 -1.977 276 HZ2 TRP 33 HZ2 TRP 33 -0.206 -6.964 -1.544 277 HZ3 TRP 33 HZ3 TRP 33 -4.220 -6.112 -0.362 278 HH2 TRP 33 HH2 TRP 33 -1.816 -5.732 -0.150 279 H PHE 34 H PHE 34 -3.073 -8.636 -7.041 280 HA PHE 34 HA PHE 34 -4.620 -6.164 -7.060 281 HB2 PHE 34 HB2 PHE 34 -2.214 -6.088 -6.602 282 HB3 PHE 34 HB3 PHE 34 -1.861 -6.814 -8.162 283 HD1 PHE 34 HD2 PHE 34 -3.354 -3.744 -6.597 284 HD2 PHE 34 HD1 PHE 34 -1.465 -5.408 -10.057 285 HE1 PHE 34 HE2 PHE 34 -3.155 -1.498 -7.579 286 HE2 PHE 34 HE1 PHE 34 -1.258 -3.157 -11.020 287 HZ PHE 34 HZ PHE 34 -2.111 -1.200 -9.790 288 H ALA 35 H ALA 35 -2.944 -7.919 -9.721 289 HA ALA 35 HA ALA 35 -5.080 -7.075 -11.618 290 HB1 ALA 35 HB1 ALA 35 -3.020 -5.714 -11.924 291 HB2 ALA 35 HB2 ALA 35 -3.352 -6.720 -13.335 292 HB3 ALA 35 HB3 ALA 35 -2.089 -7.190 -12.193 293 H ASP 36 H ASP 36 -4.591 -8.371 -13.817 294 HA ASP 36 HA ASP 36 -5.141 -11.118 -13.485 295 HB2 ASP 36 HB2 ASP 36 -4.002 -9.693 -15.939 296 HB3 ASP 36 HB3 ASP 36 -4.785 -11.276 -15.936 297 H LYS 37 H LYS 37 -2.198 -9.555 -14.753 298 HA LYS 37 HA LYS 37 -0.451 -11.355 -13.310 299 HB2 LYS 37 HB2 LYS 37 -0.846 -12.672 -15.357 300 HB3 LYS 37 HB3 LYS 37 -0.414 -11.293 -16.370 301 HG2 LYS 37 HG2 LYS 37 1.878 -11.372 -15.623 302 HG3 LYS 37 HG3 LYS 37 1.488 -12.562 -14.381 303 HD2 LYS 37 HD2 LYS 37 0.969 -14.217 -16.183 304 HD3 LYS 37 HD3 LYS 37 1.464 -13.017 -17.390 305 HE2 LYS 37 HE2 LYS 37 3.279 -14.647 -16.853 306 HE3 LYS 37 HE3 LYS 37 3.738 -12.986 -16.475 307 HZ1 LYS 37 HZ1 LYS 37 2.787 -15.019 -14.526 308 HZ2 LYS 37 HZ2 LYS 37 3.195 -13.421 -14.139 309 HZ3 LYS 37 HZ3 LYS 37 4.377 -14.489 -14.711 310 H VAL 38 H VAL 38 1.643 -10.512 -13.037 311 HA VAL 38 HA VAL 38 2.291 -7.941 -14.375 312 HB VAL 38 HB VAL 38 3.357 -7.092 -12.349 313 HG11 VAL 38 HG11 VAL 38 0.974 -6.549 -12.652 314 HG12 VAL 38 HG12 VAL 38 1.370 -6.671 -10.938 315 HG13 VAL 38 HG13 VAL 38 0.510 -7.989 -11.741 316 HG21 VAL 38 HG21 VAL 38 2.411 -9.608 -10.927 317 HG22 VAL 38 HG22 VAL 38 3.182 -8.216 -10.161 318 HG23 VAL 38 HG23 VAL 38 4.086 -9.200 -11.309 319 H VAL 39 H VAL 39 4.186 -7.992 -15.447 320 HA VAL 39 HA VAL 39 6.097 -10.200 -15.135 321 HB VAL 39 HB VAL 39 6.046 -7.974 -17.227 322 HG11 VAL 39 HG11 VAL 39 7.552 -10.623 -17.241 323 HG12 VAL 39 HG12 VAL 39 8.269 -9.023 -17.036 324 HG13 VAL 39 HG13 VAL 39 7.513 -9.459 -18.568 325 HG21 VAL 39 HG21 VAL 39 3.963 -9.274 -17.372 326 HG22 VAL 39 HG22 VAL 39 4.881 -10.780 -17.445 327 HG23 VAL 39 HG23 VAL 39 4.996 -9.613 -18.765 328 H SER 40 H SER 40 7.970 -9.930 -14.005 329 HA SER 40 HA SER 40 8.714 -7.329 -12.925 330 HB2 SER 40 HB2 SER 40 8.828 -9.267 -11.449 331 HB3 SER 40 HB3 SER 40 9.947 -10.084 -12.539 332 HG SER 40 HG SER 40 11.354 -9.186 -11.227 333 H ASP 41 H ASP 41 10.041 -5.975 -13.955 334 HA ASP 41 HA ASP 41 12.261 -6.880 -15.669 335 HB2 ASP 41 HB2 ASP 41 11.438 -4.027 -14.951 336 HB3 ASP 41 HB3 ASP 41 12.484 -4.527 -16.278 337 H ASP 42 H ASP 42 12.199 -7.399 -12.760 338 HA ASP 42 HA ASP 42 13.528 -7.540 -10.978 339 HB2 ASP 42 HB2 ASP 42 15.370 -7.842 -12.652 340 HB3 ASP 42 HB3 ASP 42 15.656 -6.105 -12.619 341 H LYS 43 H LYS 43 14.687 -4.364 -12.137 342 HA LYS 43 HA LYS 43 14.141 -3.087 -9.583 343 HB2 LYS 43 HB2 LYS 43 15.173 -1.094 -10.640 344 HB3 LYS 43 HB3 LYS 43 16.185 -2.525 -10.779 345 HG2 LYS 43 HG2 LYS 43 15.541 -2.811 -13.125 346 HG3 LYS 43 HG3 LYS 43 14.421 -1.449 -13.018 347 HD2 LYS 43 HD2 LYS 43 17.446 -1.273 -12.657 348 HD3 LYS 43 HD3 LYS 43 16.578 -0.853 -14.137 349 HE2 LYS 43 HE2 LYS 43 15.367 0.931 -12.907 350 HE3 LYS 43 HE3 LYS 43 16.244 0.507 -11.436 351 HZ1 LYS 43 HZ1 LYS 43 17.442 1.542 -13.943 352 HZ2 LYS 43 HZ2 LYS 43 18.298 1.118 -12.549 353 HZ3 LYS 43 HZ3 LYS 43 17.214 2.411 -12.507 354 H THR 44 H THR 44 12.343 -3.643 -12.394 355 HA THR 44 HA THR 44 10.327 -1.568 -11.727 356 HB THR 44 HB THR 44 11.076 -2.465 -14.559 357 HG1 THR 44 HG1 THR 44 12.182 -0.594 -14.761 358 HG21 THR 44 HG21 THR 44 9.205 -0.250 -13.648 359 HG22 THR 44 HG22 THR 44 8.713 -1.762 -14.417 360 HG23 THR 44 HG23 THR 44 9.664 -0.578 -15.319 361 H VAL 45 H VAL 45 8.093 -2.216 -12.265 362 HA VAL 45 HA VAL 45 7.645 -5.092 -12.897 363 HB VAL 45 HB VAL 45 5.988 -3.455 -10.902 364 HG11 VAL 45 HG11 VAL 45 5.745 -6.374 -11.752 365 HG12 VAL 45 HG12 VAL 45 4.600 -5.079 -12.110 366 HG13 VAL 45 HG13 VAL 45 4.827 -5.618 -10.450 367 HG21 VAL 45 HG21 VAL 45 6.864 -4.979 -9.150 368 HG22 VAL 45 HG22 VAL 45 8.163 -4.052 -9.902 369 HG23 VAL 45 HG23 VAL 45 7.923 -5.746 -10.341 370 H THR 46 H THR 46 6.588 -5.211 -14.814 371 HA THR 46 HA THR 46 4.821 -3.103 -15.802 372 HB THR 46 HB THR 46 5.481 -5.778 -17.135 373 HG1 THR 46 HG1 THR 46 7.325 -4.355 -16.743 374 HG21 THR 46 HG21 THR 46 3.457 -4.664 -18.046 375 HG22 THR 46 HG22 THR 46 4.779 -4.648 -19.214 376 HG23 THR 46 HG23 THR 46 4.390 -3.184 -18.304 377 H PHE 47 H PHE 47 2.737 -3.147 -15.037 378 HA PHE 47 HA PHE 47 1.319 -5.554 -14.270 379 HB2 PHE 47 HB2 PHE 47 0.100 -2.786 -14.663 380 HB3 PHE 47 HB3 PHE 47 -0.474 -4.091 -13.624 381 HD1 PHE 47 HD1 PHE 47 0.877 -4.689 -11.572 382 HD2 PHE 47 HD2 PHE 47 1.659 -1.172 -13.857 383 HE1 PHE 47 HE1 PHE 47 2.079 -3.715 -9.665 384 HE2 PHE 47 HE2 PHE 47 2.871 -0.207 -11.953 385 HZ PHE 47 HZ PHE 47 3.085 -1.471 -9.847 386 H CYS 48 H CYS 48 0.612 -6.869 -15.889 387 HA CYS 48 HA CYS 48 -0.474 -5.692 -18.397 388 HB2 CYS 48 HB2 CYS 48 -0.011 -7.993 -19.377 389 HB3 CYS 48 HB3 CYS 48 1.416 -7.080 -18.906 390 HG CYS 48 HG CYS 48 0.777 -10.104 -18.171 391 H TRP 49 H TRP 49 -2.602 -5.527 -18.271 392 HA TRP 49 HA TRP 49 -4.312 -7.461 -16.900 393 HB2 TRP 49 HB2 TRP 49 -4.925 -4.890 -18.425 394 HB3 TRP 49 HB3 TRP 49 -6.162 -5.890 -17.664 395 HD1 TRP 49 HD1 TRP 49 -6.269 -5.878 -14.958 396 HE1 TRP 49 HE1 TRP 49 -5.391 -4.203 -13.220 397 HE3 TRP 49 HE3 TRP 49 -2.981 -3.281 -17.902 398 HZ2 TRP 49 HZ2 TRP 49 -3.558 -2.067 -13.096 399 HZ3 TRP 49 HZ3 TRP 49 -1.700 -1.430 -16.898 400 HH2 TRP 49 HH2 TRP 49 -1.984 -0.834 -14.539 401 H GLY 50 H GLY 50 -3.020 -7.084 -20.039 402 HA2 GLY 50 HA2 GLY 50 -3.771 -9.448 -21.119 403 HA3 GLY 50 HA3 GLY 50 -5.136 -8.411 -21.521 404 H LYS 51 H LYS 51 -4.770 -8.473 -23.746 405 HA LYS 51 HA LYS 51 -2.277 -7.809 -25.019 406 HB2 LYS 51 HB2 LYS 51 -5.138 -7.928 -26.076 407 HB3 LYS 51 HB3 LYS 51 -3.725 -7.690 -27.103 408 HG2 LYS 51 HG2 LYS 51 -2.874 -9.890 -26.568 409 HG3 LYS 51 HG3 LYS 51 -4.119 -10.137 -25.342 410 HD2 LYS 51 HD2 LYS 51 -4.660 -9.812 -28.328 411 HD3 LYS 51 HD3 LYS 51 -4.576 -11.362 -27.484 412 HE2 LYS 51 HE2 LYS 51 -6.500 -10.646 -26.050 413 HE3 LYS 51 HE3 LYS 51 -6.596 -9.143 -26.971 414 HZ1 LYS 51 HZ1 LYS 51 -7.089 -10.431 -28.944 415 HZ2 LYS 51 HZ2 LYS 51 -8.199 -10.767 -27.717 416 HZ3 LYS 51 HZ3 LYS 51 -6.970 -11.871 -28.066 417 H THR 52 H THR 52 -1.414 -5.821 -24.937 418 HA THR 52 HA THR 52 -1.044 -3.597 -24.918 419 HB THR 52 HB THR 52 -3.849 -3.215 -26.096 420 HG1 THR 52 HG1 THR 52 -1.401 -4.050 -27.262 421 HG21 THR 52 HG21 THR 52 -1.335 -1.512 -26.435 422 HG22 THR 52 HG22 THR 52 -2.729 -1.080 -25.444 423 HG23 THR 52 HG23 THR 52 -2.905 -1.220 -27.192 424 H GLU 53 H GLU 53 -1.805 -1.460 -23.879 425 HA GLU 53 HA GLU 53 -2.413 -0.240 -22.111 426 HB2 GLU 53 HB2 GLU 53 -4.741 -0.825 -22.912 427 HB3 GLU 53 HB3 GLU 53 -4.765 -2.144 -21.753 428 HG2 GLU 53 HG2 GLU 53 -6.006 -0.253 -20.868 429 HG3 GLU 53 HG3 GLU 53 -4.554 -0.513 -19.899 430 H GLN 54 H GLN 54 -0.404 -1.199 -21.397 431 HA GLN 54 HA GLN 54 -0.618 -2.581 -18.810 432 HB2 GLN 54 HB2 GLN 54 1.383 -3.986 -19.438 433 HB3 GLN 54 HB3 GLN 54 -0.068 -4.362 -20.359 434 HG2 GLN 54 HG2 GLN 54 0.800 -3.097 -22.277 435 HG3 GLN 54 HG3 GLN 54 2.248 -2.680 -21.366 436 HE21 GLN 54 HE21 GLN 54 2.602 -5.305 -20.171 437 HE22 GLN 54 HE22 GLN 54 3.103 -6.361 -21.437 438 H ARG 55 H ARG 55 0.670 -1.629 -17.267 439 HA ARG 55 HA ARG 55 2.265 0.733 -18.128 440 HB2 ARG 55 HB2 ARG 55 0.324 0.399 -15.793 441 HB3 ARG 55 HB3 ARG 55 1.552 1.661 -15.785 442 HG2 ARG 55 HG2 ARG 55 -0.499 2.653 -16.531 443 HG3 ARG 55 HG3 ARG 55 0.588 2.555 -17.915 444 HD2 ARG 55 HD2 ARG 55 -0.713 0.299 -18.408 445 HD3 ARG 55 HD3 ARG 55 -1.936 1.001 -17.360 446 HE ARG 55 HE ARG 55 -2.526 2.384 -19.053 447 HH11 ARG 55 HH11 ARG 55 0.672 1.256 -19.856 448 HH12 ARG 55 HH12 ARG 55 0.615 1.971 -21.422 449 HH21 ARG 55 HH21 ARG 55 -2.555 3.214 -21.049 450 HH22 ARG 55 HH22 ARG 55 -1.192 3.049 -22.099 451 H GLN 56 H GLN 56 4.084 1.287 -16.763 452 HA GLN 56 HA GLN 56 5.122 -1.012 -15.178 453 HB2 GLN 56 HB2 GLN 56 6.757 1.018 -16.762 454 HB3 GLN 56 HB3 GLN 56 7.397 -0.318 -15.808 455 HG2 GLN 56 HG2 GLN 56 6.219 -1.908 -17.322 456 HG3 GLN 56 HG3 GLN 56 5.736 -0.546 -18.330 457 HE21 GLN 56 HE21 GLN 56 7.392 -2.859 -19.018 458 HE22 GLN 56 HE22 GLN 56 8.897 -2.218 -19.567 459 H ALA 57 H ALA 57 6.001 -0.633 -13.201 460 HA ALA 57 HA ALA 57 6.411 2.122 -12.246 461 HB1 ALA 57 HB1 ALA 57 5.289 1.630 -10.110 462 HB2 ALA 57 HB2 ALA 57 4.863 0.013 -10.683 463 HB3 ALA 57 HB3 ALA 57 4.162 1.437 -11.457 464 H GLY 58 H GLY 58 8.423 2.269 -11.518 465 HA2 GLY 58 HA2 GLY 58 10.015 -0.107 -10.913 466 HA3 GLY 58 HA3 GLY 58 10.604 1.527 -11.178 467 H ILE 59 H ILE 59 10.991 -0.531 -8.969 468 HA ILE 59 HA ILE 59 9.837 0.570 -6.593 469 HB ILE 59 HB ILE 59 12.301 -1.238 -6.799 470 HG12 ILE 59 HG12 ILE 59 10.609 -3.032 -5.941 471 HG13 ILE 59 HG13 ILE 59 9.343 -1.921 -6.441 472 HG21 ILE 59 HG21 ILE 59 11.926 -1.706 -4.392 473 HG22 ILE 59 HG22 ILE 59 10.596 -0.547 -4.365 474 HG23 ILE 59 HG23 ILE 59 12.243 0.010 -4.671 475 HD11 ILE 59 HD11 ILE 59 11.410 -3.188 -8.247 476 HD12 ILE 59 HD12 ILE 59 10.124 -2.090 -8.755 477 HD13 ILE 59 HD13 ILE 59 9.718 -3.667 -8.080 478 H VAL 60 H VAL 60 10.457 2.422 -5.562 479 HA VAL 60 HA VAL 60 12.861 3.856 -6.370 480 HB VAL 60 HB VAL 60 10.812 4.656 -4.245 481 HG11 VAL 60 HG11 VAL 60 12.937 5.919 -4.105 482 HG12 VAL 60 HG12 VAL 60 11.614 6.963 -4.623 483 HG13 VAL 60 HG13 VAL 60 12.787 6.379 -5.806 484 HG21 VAL 60 HG21 VAL 60 9.629 4.303 -6.369 485 HG22 VAL 60 HG22 VAL 60 10.776 5.351 -7.209 486 HG23 VAL 60 HG23 VAL 60 9.697 6.027 -5.986 487 H ALA 61 H ALA 61 11.478 2.400 -3.451 488 HA ALA 61 HA ALA 61 14.071 1.695 -2.373 489 HB1 ALA 61 HB1 ALA 61 12.289 3.607 -0.811 490 HB2 ALA 61 HB2 ALA 61 13.838 4.014 -1.549 491 HB3 ALA 61 HB3 ALA 61 13.778 2.857 -0.220 492 H ILE 62 H ILE 62 13.938 0.022 -0.887 493 HA ILE 62 HA ILE 62 11.430 -0.837 0.282 494 HB ILE 62 HB ILE 62 11.185 -1.871 -1.939 495 HG12 ILE 62 HG12 ILE 62 11.867 -3.945 0.208 496 HG13 ILE 62 HG13 ILE 62 10.318 -3.137 0.006 497 HG21 ILE 62 HG21 ILE 62 12.783 -3.551 -2.810 498 HG22 ILE 62 HG22 ILE 62 13.861 -3.238 -1.447 499 HG23 ILE 62 HG23 ILE 62 13.538 -1.966 -2.627 500 HD11 ILE 62 HD11 ILE 62 10.026 -4.260 -2.137 501 HD12 ILE 62 HD12 ILE 62 10.246 -5.394 -0.807 502 HD13 ILE 62 HD13 ILE 62 11.577 -5.078 -1.919 503 H ARG 63 H ARG 63 11.686 -2.237 2.013 504 HA ARG 63 HA ARG 63 14.062 -3.822 2.393 505 HB2 ARG 63 HB2 ARG 63 14.723 -1.583 3.402 506 HB3 ARG 63 HB3 ARG 63 13.427 -1.763 4.573 507 HG2 ARG 63 HG2 ARG 63 15.564 -3.891 4.346 508 HG3 ARG 63 HG3 ARG 63 15.912 -2.395 5.207 509 HD2 ARG 63 HD2 ARG 63 14.124 -2.836 6.794 510 HD3 ARG 63 HD3 ARG 63 13.604 -4.256 5.881 511 HE ARG 63 HE ARG 63 16.195 -4.810 6.472 512 HH11 ARG 63 HH11 ARG 63 13.516 -3.913 8.478 513 HH12 ARG 63 HH12 ARG 63 14.094 -4.822 9.826 514 HH21 ARG 63 HH21 ARG 63 16.901 -5.948 8.206 515 HH22 ARG 63 HH22 ARG 63 15.977 -5.970 9.670 516 H ALA 64 H ALA 64 12.914 -5.642 2.481 517 HA ALA 64 HA ALA 64 11.515 -7.303 3.051 518 HB1 ALA 64 HB1 ALA 64 11.220 -7.741 5.437 519 HB2 ALA 64 HB2 ALA 64 11.675 -6.079 5.810 520 HB3 ALA 64 HB3 ALA 64 12.861 -7.174 5.103 521 H TYR 65 H TYR 65 10.059 -4.909 5.296 522 HA TYR 65 HA TYR 65 7.579 -4.783 3.729 523 HB2 TYR 65 HB2 TYR 65 6.166 -5.439 5.677 524 HB3 TYR 65 HB3 TYR 65 7.207 -6.747 5.143 525 HD1 TYR 65 HD2 TYR 65 9.054 -7.564 6.602 526 HD2 TYR 65 HD1 TYR 65 6.524 -4.377 7.885 527 HE1 TYR 65 HE2 TYR 65 9.877 -7.830 8.902 528 HE2 TYR 65 HE1 TYR 65 7.341 -4.634 10.178 529 HH TYR 65 HH TYR 65 10.086 -6.387 10.973 530 H SER 66 H SER 66 9.787 -3.308 5.939 531 HA SER 66 HA SER 66 7.957 -1.488 7.232 532 HB2 SER 66 HB2 SER 66 10.991 -1.584 7.228 533 HB3 SER 66 HB3 SER 66 10.041 -0.449 8.197 534 HG SER 66 HG SER 66 9.237 -2.098 9.381 535 H PHE 67 H PHE 67 9.004 -1.407 4.143 536 HA PHE 67 HA PHE 67 7.658 0.852 3.472 537 HB2 PHE 67 HB2 PHE 67 9.333 2.539 2.767 538 HB3 PHE 67 HB3 PHE 67 9.366 2.299 4.506 539 HD1 PHE 67 HD2 PHE 67 11.322 1.163 5.578 540 HD2 PHE 67 HD1 PHE 67 11.280 2.032 1.390 541 HE1 PHE 67 HE2 PHE 67 13.758 0.851 5.485 542 HE2 PHE 67 HE1 PHE 67 13.708 1.718 1.314 543 HZ PHE 67 HZ PHE 67 14.951 1.131 3.349 544 H ILE 68 H ILE 68 7.219 0.727 1.361 545 HA ILE 68 HA ILE 68 9.193 -0.133 -0.585 546 HB ILE 68 HB ILE 68 8.090 -2.267 0.086 547 HG12 ILE 68 HG12 ILE 68 7.358 -1.402 -2.754 548 HG13 ILE 68 HG13 ILE 68 8.925 -2.030 -2.245 549 HG21 ILE 68 HG21 ILE 68 5.901 -1.406 0.779 550 HG22 ILE 68 HG22 ILE 68 5.709 -2.702 -0.402 551 HG23 ILE 68 HG23 ILE 68 5.504 -1.018 -0.897 552 HD11 ILE 68 HD11 ILE 68 6.319 -3.539 -2.242 553 HD12 ILE 68 HD12 ILE 68 7.873 -4.173 -1.691 554 HD13 ILE 68 HD13 ILE 68 7.650 -3.724 -3.382 555 H ARG 69 H ARG 69 8.937 0.961 -2.503 556 HA ARG 69 HA ARG 69 6.515 2.653 -2.851 557 HB2 ARG 69 HB2 ARG 69 9.406 3.581 -3.166 558 HB3 ARG 69 HB3 ARG 69 7.997 4.517 -3.635 559 HG2 ARG 69 HG2 ARG 69 8.402 5.495 -1.605 560 HG3 ARG 69 HG3 ARG 69 7.349 4.191 -1.067 561 HD2 ARG 69 HD2 ARG 69 9.312 2.861 -0.397 562 HD3 ARG 69 HD3 ARG 69 10.387 4.134 -0.999 563 HE ARG 69 HE ARG 69 8.451 4.616 1.188 564 HH11 ARG 69 HH11 ARG 69 11.701 4.846 0.020 565 HH12 ARG 69 HH12 ARG 69 12.232 5.727 1.404 566 HH21 ARG 69 HH21 ARG 69 9.150 5.751 2.906 567 HH22 ARG 69 HH22 ARG 69 10.802 6.236 3.019 568 H PHE 70 H PHE 70 5.671 2.489 -4.870 569 HA PHE 70 HA PHE 70 7.457 1.730 -7.140 570 HB2 PHE 70 HB2 PHE 70 4.454 1.287 -6.813 571 HB3 PHE 70 HB3 PHE 70 5.351 0.965 -8.289 572 HD1 PHE 70 HD2 PHE 70 4.738 -0.168 -4.828 573 HD2 PHE 70 HD1 PHE 70 6.776 -1.004 -8.500 574 HE1 PHE 70 HE2 PHE 70 5.232 -2.442 -4.048 575 HE2 PHE 70 HE1 PHE 70 7.254 -3.281 -7.700 576 HZ PHE 70 HZ PHE 70 6.478 -4.000 -5.483 577 H HIS 71 H HIS 71 7.883 3.419 -8.443 578 HA HIS 71 HA HIS 71 5.928 5.621 -8.772 579 HB2 HIS 71 HB2 HIS 71 8.109 6.397 -7.964 580 HB3 HIS 71 HB3 HIS 71 8.939 5.570 -9.279 581 HD1 HIS 71 HD1 HIS 71 9.240 6.862 -11.412 582 HD2 HIS 71 HD2 HIS 71 6.460 8.638 -8.889 583 HE1 HIS 71 HE1 HIS 71 8.623 9.026 -12.513 584 HE2 HIS 71 HE2 HIS 71 6.917 10.067 -10.998 585 H TRP 72 H TRP 72 5.134 6.086 -10.751 586 HA TRP 72 HA TRP 72 5.106 4.007 -12.718 587 HB2 TRP 72 HB2 TRP 72 3.893 6.794 -12.984 588 HB3 TRP 72 HB3 TRP 72 3.386 5.319 -13.806 589 HD1 TRP 72 HD1 TRP 72 2.888 7.258 -10.592 590 HE1 TRP 72 HE1 TRP 72 1.157 6.071 -9.117 591 HE3 TRP 72 HE3 TRP 72 2.477 2.870 -13.201 592 HZ2 TRP 72 HZ2 TRP 72 -0.211 3.608 -9.059 593 HZ3 TRP 72 HZ3 TRP 72 0.923 1.147 -12.368 594 HH2 TRP 72 HH2 TRP 72 -0.396 1.509 -10.335 595 H LEU 73 H LEU 73 6.503 3.766 -14.387 596 HA LEU 73 HA LEU 73 8.346 5.769 -15.290 597 HB2 LEU 73 HB2 LEU 73 7.565 3.034 -16.330 598 HB3 LEU 73 HB3 LEU 73 8.653 4.059 -17.252 599 HG LEU 73 HG LEU 73 9.996 2.500 -16.015 600 HD11 LEU 73 HD11 LEU 73 11.428 3.961 -14.678 601 HD12 LEU 73 HD12 LEU 73 10.160 5.189 -14.623 602 HD13 LEU 73 HD13 LEU 73 10.914 4.763 -16.162 603 HD21 LEU 73 HD21 LEU 73 8.583 3.389 -13.484 604 HD22 LEU 73 HD22 LEU 73 9.943 2.263 -13.578 605 HD23 LEU 73 HD23 LEU 73 8.395 1.834 -14.299 606 H ASP 74 H ASP 74 5.143 4.790 -16.265 607 HA ASP 74 HA ASP 74 4.810 6.346 -18.601 608 HB2 ASP 74 HB2 ASP 74 2.719 5.826 -16.423 609 HB3 ASP 74 HB3 ASP 74 2.400 6.219 -18.117 610 H ASP 75 H ASP 75 4.487 7.095 -15.160 611 HA ASP 75 HA ASP 75 3.998 8.875 -13.895 612 HB2 ASP 75 HB2 ASP 75 6.368 9.314 -14.628 613 HB3 ASP 75 HB3 ASP 75 5.735 10.353 -15.902 614 H GLU 76 H GLU 76 4.156 11.380 -16.285 615 HA GLU 76 HA GLU 76 2.720 12.721 -17.352 616 HB2 GLU 76 HB2 GLU 76 2.852 10.815 -18.875 617 HB3 GLU 76 HB3 GLU 76 1.464 10.063 -18.093 618 HG2 GLU 76 HG2 GLU 76 -0.017 11.798 -18.896 619 HG3 GLU 76 HG3 GLU 76 1.338 12.753 -19.489 620 H ASN 77 H ASN 77 0.276 10.307 -16.376 621 HA ASN 77 HA ASN 77 -1.825 12.122 -15.860 622 HB2 ASN 77 HB2 ASN 77 -1.468 9.298 -14.755 623 HB3 ASN 77 HB3 ASN 77 -2.989 10.181 -14.851 624 HD21 ASN 77 HD21 ASN 77 -3.974 10.442 -16.878 625 HD22 ASN 77 HD22 ASN 77 -3.511 9.498 -18.247 626 H GLU 78 H GLU 78 -2.804 12.797 -13.887 627 HA GLU 78 HA GLU 78 -1.149 13.342 -11.624 628 HB2 GLU 78 HB2 GLU 78 -4.192 13.385 -11.850 629 HB3 GLU 78 HB3 GLU 78 -3.255 14.090 -10.533 630 HG2 GLU 78 HG2 GLU 78 -2.207 15.665 -12.131 631 HG3 GLU 78 HG3 GLU 78 -3.164 14.971 -13.440 632 H ARG 79 H ARG 79 -0.274 11.472 -10.753 633 HA ARG 79 HA ARG 79 -1.984 9.509 -9.445 634 HB2 ARG 79 HB2 ARG 79 -1.888 8.878 -11.906 635 HB3 ARG 79 HB3 ARG 79 -0.160 8.608 -11.724 636 HG2 ARG 79 HG2 ARG 79 -0.555 6.754 -10.205 637 HG3 ARG 79 HG3 ARG 79 -2.287 7.104 -10.150 638 HD2 ARG 79 HD2 ARG 79 -1.807 5.187 -11.623 639 HD3 ARG 79 HD3 ARG 79 -2.500 6.531 -12.537 640 HE ARG 79 HE ARG 79 0.409 6.337 -12.515 641 HH11 ARG 79 HH11 ARG 79 -2.492 5.665 -14.281 642 HH12 ARG 79 HH12 ARG 79 -1.644 5.394 -15.760 643 HH21 ARG 79 HH21 ARG 79 1.462 5.965 -14.423 644 HH22 ARG 79 HH22 ARG 79 0.562 5.544 -15.835 645 H ASP 80 H ASP 80 1.201 10.720 -10.261 646 HA ASP 80 HA ASP 80 3.103 11.011 -9.112 647 HB2 ASP 80 HB2 ASP 80 1.279 10.567 -6.730 648 HB3 ASP 80 HB3 ASP 80 2.919 11.199 -6.609 649 H TYR 81 H TYR 81 2.249 8.865 -6.488 650 HA TYR 81 HA TYR 81 3.024 6.376 -7.520 651 HB2 TYR 81 HB2 TYR 81 5.180 5.957 -6.516 652 HB3 TYR 81 HB3 TYR 81 5.338 7.421 -7.456 653 HD1 TYR 81 HD1 TYR 81 5.368 5.992 -4.046 654 HD2 TYR 81 HD2 TYR 81 5.781 9.585 -6.334 655 HE1 TYR 81 HE1 TYR 81 6.374 7.107 -2.106 656 HE2 TYR 81 HE2 TYR 81 6.781 10.705 -4.386 657 HH TYR 81 HH TYR 81 6.780 10.472 -1.930 658 H PHE 82 H PHE 82 3.504 4.828 -5.487 659 HA PHE 82 HA PHE 82 1.925 5.684 -3.150 660 HB2 PHE 82 HB2 PHE 82 0.593 3.598 -3.166 661 HB3 PHE 82 HB3 PHE 82 0.294 4.576 -4.592 662 HD1 PHE 82 HD2 PHE 82 1.663 3.880 -6.771 663 HD2 PHE 82 HD1 PHE 82 0.996 1.279 -3.444 664 HE1 PHE 82 HE2 PHE 82 2.056 1.924 -8.211 665 HE2 PHE 82 HE1 PHE 82 1.397 -0.668 -4.887 666 HZ PHE 82 HZ PHE 82 1.922 -0.350 -7.272 667 H GLU 83 H GLU 83 2.893 5.209 -1.300 668 HA GLU 83 HA GLU 83 4.870 3.005 -1.107 669 HB2 GLU 83 HB2 GLU 83 5.741 5.187 -0.329 670 HB3 GLU 83 HB3 GLU 83 4.369 5.370 0.752 671 HG2 GLU 83 HG2 GLU 83 5.307 3.077 1.789 672 HG3 GLU 83 HG3 GLU 83 6.804 3.614 1.041 673 H ILE 84 H ILE 84 4.540 1.303 0.268 674 HA ILE 84 HA ILE 84 2.316 1.450 2.223 675 HB ILE 84 HB ILE 84 3.225 -1.091 0.775 676 HG12 ILE 84 HG12 ILE 84 0.712 -1.030 -0.015 677 HG13 ILE 84 HG13 ILE 84 0.768 0.676 0.383 678 HG21 ILE 84 HG21 ILE 84 2.564 -1.537 3.094 679 HG22 ILE 84 HG22 ILE 84 1.364 -2.188 1.980 680 HG23 ILE 84 HG23 ILE 84 1.033 -0.688 2.848 681 HD11 ILE 84 HD11 ILE 84 1.092 0.236 -1.981 682 HD12 ILE 84 HD12 ILE 84 2.521 -0.731 -1.622 683 HD13 ILE 84 HD13 ILE 84 2.512 0.999 -1.273 684 H LYS 85 H LYS 85 3.264 1.710 4.138 685 HA LYS 85 HA LYS 85 5.769 0.311 4.832 686 HB2 LYS 85 HB2 LYS 85 5.882 2.710 5.108 687 HB3 LYS 85 HB3 LYS 85 4.364 2.755 5.993 688 HG2 LYS 85 HG2 LYS 85 5.369 1.714 7.921 689 HG3 LYS 85 HG3 LYS 85 6.843 1.355 7.027 690 HD2 LYS 85 HD2 LYS 85 7.282 3.230 8.482 691 HD3 LYS 85 HD3 LYS 85 7.285 3.813 6.820 692 HE2 LYS 85 HE2 LYS 85 4.880 4.072 8.659 693 HE3 LYS 85 HE3 LYS 85 6.135 5.301 8.540 694 HZ1 LYS 85 HZ1 LYS 85 4.275 5.863 7.154 695 HZ2 LYS 85 HZ2 LYS 85 4.367 4.390 6.333 696 HZ3 LYS 85 HZ3 LYS 85 5.608 5.521 6.171 697 H MET 86 H MET 86 5.693 -1.363 6.245 698 HA MET 86 HA MET 86 3.291 -1.763 7.951 699 HB2 MET 86 HB2 MET 86 4.961 -4.135 7.007 700 HB3 MET 86 HB3 MET 86 3.316 -4.112 7.620 701 HG2 MET 86 HG2 MET 86 2.550 -3.122 5.501 702 HG3 MET 86 HG3 MET 86 4.205 -3.133 4.896 703 HE1 MET 86 HE1 MET 86 1.815 -6.978 5.857 704 HE2 MET 86 HE2 MET 86 1.183 -5.346 6.106 705 HE3 MET 86 HE3 MET 86 2.499 -5.953 7.119 706 H SER 87 H SER 87 3.793 -2.261 10.120 707 HA SER 87 HA SER 87 6.579 -2.855 10.862 708 HB2 SER 87 HB2 SER 87 6.462 -0.387 10.961 709 HB3 SER 87 HB3 SER 87 5.043 -0.473 12.002 710 HG SER 87 HG SER 87 6.963 -0.133 13.188 711 H TYR 88 H TYR 88 6.761 -3.966 12.819 712 HA TYR 88 HA TYR 88 4.271 -5.305 13.632 713 HB2 TYR 88 HB2 TYR 88 6.254 -6.654 12.897 714 HB3 TYR 88 HB3 TYR 88 7.181 -6.009 14.248 715 HD1 TYR 88 HD1 TYR 88 3.778 -7.570 13.788 716 HD2 TYR 88 HD2 TYR 88 7.433 -7.572 16.009 717 HE1 TYR 88 HE1 TYR 88 2.934 -9.400 15.179 718 HE2 TYR 88 HE2 TYR 88 6.576 -9.404 17.407 719 HH TYR 88 HH TYR 88 4.494 -10.414 18.071 720 H ASN 89 H ASN 89 3.244 -4.520 15.402 721 HA ASN 89 HA ASN 89 4.278 -2.509 17.110 722 HB2 ASN 89 HB2 ASN 89 1.850 -4.296 17.551 723 HB3 ASN 89 HB3 ASN 89 2.201 -2.825 18.449 724 HD21 ASN 89 HD21 ASN 89 0.993 -4.133 15.500 725 HD22 ASN 89 HD22 ASN 89 0.432 -2.646 14.838 726 H GLU 90 H GLU 90 4.637 -5.907 17.267 727 HA GLU 90 HA GLU 90 5.765 -7.318 18.565 728 HB2 GLU 90 HB2 GLU 90 7.479 -5.603 18.819 729 HB3 GLU 90 HB3 GLU 90 6.586 -4.862 20.141 730 HG2 GLU 90 HG2 GLU 90 6.956 -6.853 21.536 731 HG3 GLU 90 HG3 GLU 90 7.789 -7.643 20.198 732 H LEU 91 H LEU 91 4.434 -4.982 20.955 733 HA LEU 91 HA LEU 91 3.924 -7.017 22.899 734 HB2 LEU 91 HB2 LEU 91 2.953 -4.131 22.854 735 HB3 LEU 91 HB3 LEU 91 3.021 -5.186 24.262 736 HG LEU 91 HG LEU 91 5.406 -4.063 22.724 737 HD11 LEU 91 HD11 LEU 91 4.314 -2.407 24.151 738 HD12 LEU 91 HD12 LEU 91 5.904 -2.826 24.778 739 HD13 LEU 91 HD13 LEU 91 4.455 -3.479 25.549 740 HD21 LEU 91 HD21 LEU 91 5.954 -6.321 23.473 741 HD22 LEU 91 HD22 LEU 91 5.430 -5.942 25.115 742 HD23 LEU 91 HD23 LEU 91 6.843 -5.135 24.428 743 H THR 92 H THR 92 1.981 -5.582 20.354 744 HA THR 92 HA THR 92 -0.552 -6.567 21.392 745 HB THR 92 HB THR 92 -1.598 -5.713 19.354 746 HG1 THR 92 HG1 THR 92 -0.481 -5.169 17.581 747 HG21 THR 92 HG21 THR 92 -0.898 -3.327 19.395 748 HG22 THR 92 HG22 THR 92 0.523 -3.773 20.340 749 HG23 THR 92 HG23 THR 92 -1.091 -3.987 21.025 750 H GLY 93 H GLY 93 1.784 -7.455 18.885 751 HA2 GLY 93 HA2 GLY 93 2.152 -9.639 18.028 752 HA3 GLY 93 HA3 GLY 93 0.521 -10.098 18.486 753 H ASP 94 H ASP 94 0.324 -7.106 17.076 754 HA ASP 94 HA ASP 94 -0.432 -8.199 14.423 755 HB2 ASP 94 HB2 ASP 94 -1.440 -5.633 15.734 756 HB3 ASP 94 HB3 ASP 94 -2.073 -6.402 14.280 757 H TYR 95 H TYR 95 -0.432 -6.361 12.692 758 HA TYR 95 HA TYR 95 2.089 -4.803 12.817 759 HB2 TYR 95 HB2 TYR 95 0.524 -5.959 10.472 760 HB3 TYR 95 HB3 TYR 95 1.728 -4.698 10.234 761 HD1 TYR 95 HD1 TYR 95 1.317 -8.187 11.569 762 HD2 TYR 95 HD2 TYR 95 4.038 -5.251 10.058 763 HE1 TYR 95 HE1 TYR 95 3.105 -9.874 11.494 764 HE2 TYR 95 HE2 TYR 95 5.816 -6.939 9.988 765 HH TYR 95 HH TYR 95 6.378 -9.079 11.084 766 H VAL 96 H VAL 96 1.926 -2.632 13.032 767 HA VAL 96 HA VAL 96 -0.444 -1.137 12.295 768 HB VAL 96 HB VAL 96 0.784 -0.241 14.162 769 HG11 VAL 96 HG11 VAL 96 3.227 0.014 12.378 770 HG12 VAL 96 HG12 VAL 96 3.026 -1.131 13.706 771 HG13 VAL 96 HG13 VAL 96 3.104 0.600 14.042 772 HG21 VAL 96 HG21 VAL 96 -0.293 1.434 12.700 773 HG22 VAL 96 HG22 VAL 96 1.197 1.596 11.768 774 HG23 VAL 96 HG23 VAL 96 1.156 2.102 13.458 775 H LEU 97 H LEU 97 -0.911 -0.497 10.345 776 HA LEU 97 HA LEU 97 1.025 -0.741 8.112 777 HB2 LEU 97 HB2 LEU 97 -0.967 -2.285 8.248 778 HB3 LEU 97 HB3 LEU 97 -2.023 -0.891 8.157 779 HG LEU 97 HG LEU 97 -1.152 -0.406 5.874 780 HD11 LEU 97 HD11 LEU 97 0.191 -2.074 4.674 781 HD12 LEU 97 HD12 LEU 97 0.392 -2.992 6.170 782 HD13 LEU 97 HD13 LEU 97 1.072 -1.368 6.029 783 HD21 LEU 97 HD21 LEU 97 -3.209 -1.718 6.150 784 HD22 LEU 97 HD22 LEU 97 -2.261 -3.210 6.199 785 HD23 LEU 97 HD23 LEU 97 -2.306 -2.236 4.726 786 H GLU 98 H GLU 98 1.241 1.013 6.657 787 HA GLU 98 HA GLU 98 -0.638 3.272 6.842 788 HB2 GLU 98 HB2 GLU 98 2.392 3.616 6.925 789 HB3 GLU 98 HB3 GLU 98 1.263 4.919 6.566 790 HG2 GLU 98 HG2 GLU 98 0.213 4.150 8.916 791 HG3 GLU 98 HG3 GLU 98 1.859 3.578 9.181 792 H ILE 99 H ILE 99 -1.480 3.569 4.905 793 HA ILE 99 HA ILE 99 0.045 3.020 2.440 794 HB ILE 99 HB ILE 99 -2.911 3.283 3.085 795 HG12 ILE 99 HG12 ILE 99 -3.035 1.158 1.685 796 HG13 ILE 99 HG13 ILE 99 -1.288 1.219 1.506 797 HG21 ILE 99 HG21 ILE 99 -3.490 3.303 0.649 798 HG22 ILE 99 HG22 ILE 99 -1.787 3.571 0.265 799 HG23 ILE 99 HG23 ILE 99 -2.690 4.792 1.166 800 HD11 ILE 99 HD11 ILE 99 -1.975 -0.388 3.167 801 HD12 ILE 99 HD12 ILE 99 -2.793 0.875 4.088 802 HD13 ILE 99 HD13 ILE 99 -1.038 0.910 3.905 803 H THR 100 H THR 100 1.174 4.688 1.654 804 HA THR 100 HA THR 100 0.452 7.477 2.147 805 HB THR 100 HB THR 100 2.927 6.256 0.855 806 HG1 THR 100 HG1 THR 100 3.471 6.038 2.885 807 HG21 THR 100 HG21 THR 100 3.946 8.508 1.015 808 HG22 THR 100 HG22 THR 100 2.409 9.171 1.570 809 HG23 THR 100 HG23 THR 100 2.550 8.525 -0.067 810 H ASP 101 H ASP 101 -0.942 8.360 0.778 811 HA ASP 101 HA ASP 101 -0.688 7.982 -2.148 812 HB2 ASP 101 HB2 ASP 101 -2.658 6.772 -1.257 813 HB3 ASP 101 HB3 ASP 101 -3.229 8.240 -0.467 814 H PHE 102 H PHE 102 -1.406 9.884 -3.399 815 HA PHE 102 HA PHE 102 -1.245 12.466 -1.921 816 HB2 PHE 102 HB2 PHE 102 -0.459 11.893 -4.821 817 HB3 PHE 102 HB3 PHE 102 -0.308 13.441 -3.998 818 HD1 PHE 102 HD1 PHE 102 1.427 13.747 -2.213 819 HD2 PHE 102 HD2 PHE 102 1.191 10.128 -4.489 820 HE1 PHE 102 HE1 PHE 102 3.683 13.114 -1.466 821 HE2 PHE 102 HE2 PHE 102 3.441 9.507 -3.724 822 HZ PHE 102 HZ PHE 102 4.691 10.999 -2.217 823 H SER 103 H SER 103 -3.191 13.486 -1.828 824 HA SER 103 HA SER 103 -4.895 13.675 -4.235 825 HB2 SER 103 HB2 SER 103 -5.876 12.749 -1.490 826 HB3 SER 103 HB3 SER 103 -6.964 13.309 -2.760 827 HG SER 103 HG SER 103 -5.194 11.087 -2.894 828 H GLU 104 H GLU 104 -5.908 15.639 -4.463 829 HA GLU 104 HA GLU 104 -5.336 17.976 -3.066 830 HB2 GLU 104 HB2 GLU 104 -7.597 17.072 -4.842 831 HB3 GLU 104 HB3 GLU 104 -7.784 18.615 -4.019 832 HG2 GLU 104 HG2 GLU 104 -5.458 17.924 -5.846 833 HG3 GLU 104 HG3 GLU 104 -6.926 18.741 -6.378 834 H ALA 105 H ALA 105 -6.327 19.088 -1.320 835 HA ALA 105 HA ALA 105 -7.129 17.719 0.907 836 HB1 ALA 105 HB1 ALA 105 -7.873 20.581 0.261 837 HB2 ALA 105 HB2 ALA 105 -6.322 20.046 0.913 838 HB3 ALA 105 HB3 ALA 105 -7.794 19.862 1.872 839 H ASP 106 H ASP 106 -9.316 19.086 -1.521 840 HA ASP 106 HA ASP 106 -11.804 18.691 -0.217 841 HB2 ASP 106 HB2 ASP 106 -11.254 18.671 -3.209 842 HB3 ASP 106 HB3 ASP 106 -12.811 18.974 -2.439 843 H GLU 107 H GLU 107 -9.732 16.396 -1.717 844 HA GLU 107 HA GLU 107 -11.796 14.261 -1.819 845 HB2 GLU 107 HB2 GLU 107 -9.016 14.306 -3.106 846 HB3 GLU 107 HB3 GLU 107 -10.250 13.064 -3.327 847 HG2 GLU 107 HG2 GLU 107 -10.426 15.953 -4.254 848 HG3 GLU 107 HG3 GLU 107 -10.089 14.559 -5.278 849 H ALA 108 H ALA 108 -8.782 15.288 -0.414 850 HA ALA 108 HA ALA 108 -7.932 12.778 0.698 851 HB1 ALA 108 HB1 ALA 108 -6.152 14.091 1.782 852 HB2 ALA 108 HB2 ALA 108 -6.947 15.591 1.286 853 HB3 ALA 108 HB3 ALA 108 -6.293 14.494 0.068 854 H ASP 109 H ASP 109 -9.878 15.473 1.783 855 HA ASP 109 HA ASP 109 -9.937 14.965 4.578 856 HB2 ASP 109 HB2 ASP 109 -10.653 17.106 3.525 857 HB3 ASP 109 HB3 ASP 109 -12.032 16.291 2.796 858 H ASP 110 H ASP 110 -12.151 13.977 1.937 859 HA ASP 110 HA ASP 110 -13.817 12.262 3.472 860 HB2 ASP 110 HB2 ASP 110 -13.187 12.262 0.496 861 HB3 ASP 110 HB3 ASP 110 -14.478 11.320 1.235 862 H LEU 111 H LEU 111 -10.711 11.737 1.905 863 HA LEU 111 HA LEU 111 -10.561 8.918 2.303 864 HB2 LEU 111 HB2 LEU 111 -8.515 11.087 1.822 865 HB3 LEU 111 HB3 LEU 111 -8.001 9.451 2.166 866 HG LEU 111 HG LEU 111 -9.669 10.394 -0.222 867 HD11 LEU 111 HD11 LEU 111 -7.814 9.621 -1.610 868 HD12 LEU 111 HD12 LEU 111 -6.893 9.209 -0.160 869 HD13 LEU 111 HD13 LEU 111 -7.323 10.889 -0.488 870 HD21 LEU 111 HD21 LEU 111 -8.892 7.533 0.465 871 HD22 LEU 111 HD22 LEU 111 -9.654 8.060 -1.039 872 HD23 LEU 111 HD23 LEU 111 -10.524 8.208 0.484 873 H LYS 112 H LYS 112 -9.672 11.678 4.361 874 HA LYS 112 HA LYS 112 -8.465 10.284 6.488 875 HB2 LYS 112 HB2 LYS 112 -10.140 12.828 6.669 876 HB3 LYS 112 HB3 LYS 112 -9.093 12.217 7.948 877 HG2 LYS 112 HG2 LYS 112 -8.226 13.222 5.230 878 HG3 LYS 112 HG3 LYS 112 -8.054 14.068 6.771 879 HD2 LYS 112 HD2 LYS 112 -6.584 12.084 7.508 880 HD3 LYS 112 HD3 LYS 112 -6.602 11.574 5.813 881 HE2 LYS 112 HE2 LYS 112 -5.458 14.127 6.983 882 HE3 LYS 112 HE3 LYS 112 -4.604 12.852 6.114 883 HZ1 LYS 112 HZ1 LYS 112 -4.913 14.745 4.700 884 HZ2 LYS 112 HZ2 LYS 112 -6.578 14.757 4.966 885 HZ3 LYS 112 HZ3 LYS 112 -5.870 13.483 4.110 886 H GLU 113 H GLU 113 -11.926 11.104 5.969 887 HA GLU 113 HA GLU 113 -12.765 9.831 8.428 888 HB2 GLU 113 HB2 GLU 113 -15.036 10.418 7.817 889 HB3 GLU 113 HB3 GLU 113 -13.982 11.783 7.511 890 HG2 GLU 113 HG2 GLU 113 -15.430 11.824 5.685 891 HG3 GLU 113 HG3 GLU 113 -14.011 11.007 5.036 892 H LEU 114 H LEU 114 -12.516 8.822 5.050 893 HA LEU 114 HA LEU 114 -13.899 6.336 5.223 894 HB2 LEU 114 HB2 LEU 114 -13.278 7.445 3.073 895 HB3 LEU 114 HB3 LEU 114 -11.584 7.112 3.397 896 HG LEU 114 HG LEU 114 -12.059 4.653 3.261 897 HD11 LEU 114 HD11 LEU 114 -14.193 3.837 2.368 898 HD12 LEU 114 HD12 LEU 114 -14.860 5.472 2.434 899 HD13 LEU 114 HD13 LEU 114 -14.409 4.638 3.925 900 HD21 LEU 114 HD21 LEU 114 -12.335 4.529 0.822 901 HD22 LEU 114 HD22 LEU 114 -11.239 5.834 1.269 902 HD23 LEU 114 HD23 LEU 114 -12.897 6.202 0.785 903 H TRP 115 H TRP 115 -10.597 7.299 5.931 904 HA TRP 115 HA TRP 115 -9.266 4.935 6.502 905 HB2 TRP 115 HB2 TRP 115 -8.016 6.945 6.630 906 HB3 TRP 115 HB3 TRP 115 -9.182 7.726 7.671 907 HD1 TRP 115 HD1 TRP 115 -6.168 5.367 7.819 908 HE1 TRP 115 HE1 TRP 115 -5.297 5.323 10.229 909 HE3 TRP 115 HE3 TRP 115 -9.903 7.998 10.137 910 HZ2 TRP 115 HZ2 TRP 115 -6.052 6.224 12.768 911 HZ3 TRP 115 HZ3 TRP 115 -9.758 8.352 12.572 912 HH2 TRP 115 HH2 TRP 115 -7.866 7.480 13.861 913 H ASP 116 H ASP 116 -11.482 6.754 8.656 914 HA ASP 116 HA ASP 116 -11.331 5.169 10.962 915 HB2 ASP 116 HB2 ASP 116 -12.345 7.380 11.019 916 HB3 ASP 116 HB3 ASP 116 -13.604 6.893 9.892 917 H SER 117 H SER 117 -13.426 4.779 8.088 918 HA SER 117 HA SER 117 -15.098 2.758 9.240 919 HB2 SER 117 HB2 SER 117 -16.034 2.432 7.006 920 HB3 SER 117 HB3 SER 117 -15.849 4.154 7.326 921 HG SER 117 HG SER 117 -14.353 4.289 5.821 922 H GLN 118 H GLN 118 -12.117 2.588 7.248 923 HA GLN 118 HA GLN 118 -12.025 -0.278 7.136 924 HB2 GLN 118 HB2 GLN 118 -9.854 1.816 6.829 925 HB3 GLN 118 HB3 GLN 118 -9.471 0.105 6.816 926 HG2 GLN 118 HG2 GLN 118 -9.578 0.722 4.561 927 HG3 GLN 118 HG3 GLN 118 -11.092 -0.130 4.863 928 HE21 GLN 118 HE21 GLN 118 -13.024 1.109 4.952 929 HE22 GLN 118 HE22 GLN 118 -13.116 2.678 4.245 930 H VAL 119 H VAL 119 -10.622 2.079 9.449 931 HA VAL 119 HA VAL 119 -9.184 0.241 11.058 932 HB VAL 119 HB VAL 119 -10.360 2.971 11.762 933 HG11 VAL 119 HG11 VAL 119 -10.042 1.720 13.869 934 HG12 VAL 119 HG12 VAL 119 -8.851 3.014 13.736 935 HG13 VAL 119 HG13 VAL 119 -8.378 1.343 13.413 936 HG21 VAL 119 HG21 VAL 119 -7.507 2.147 11.070 937 HG22 VAL 119 HG22 VAL 119 -8.034 3.780 11.489 938 HG23 VAL 119 HG23 VAL 119 -8.617 3.019 10.009 939 H SER 120 H SER 120 -12.551 1.325 11.226 940 HA SER 120 HA SER 120 -13.322 -0.049 13.599 941 HB2 SER 120 HB2 SER 120 -15.059 0.830 11.249 942 HB3 SER 120 HB3 SER 120 -15.658 0.333 12.835 943 HG SER 120 HG SER 120 -14.590 2.732 12.026 944 H LYS 121 H LYS 121 -13.715 -0.897 10.120 945 HA LYS 121 HA LYS 121 -15.057 -3.375 10.580 946 HB2 LYS 121 HB2 LYS 121 -13.766 -2.178 8.113 947 HB3 LYS 121 HB3 LYS 121 -14.533 -3.766 8.088 948 HG2 LYS 121 HG2 LYS 121 -16.680 -2.761 8.761 949 HG3 LYS 121 HG3 LYS 121 -15.921 -1.167 8.824 950 HD2 LYS 121 HD2 LYS 121 -17.220 -1.505 6.731 951 HD3 LYS 121 HD3 LYS 121 -15.507 -1.226 6.403 952 HE2 LYS 121 HE2 LYS 121 -16.452 -3.038 4.990 953 HE3 LYS 121 HE3 LYS 121 -15.160 -3.626 6.029 954 HZ1 LYS 121 HZ1 LYS 121 -16.803 -4.542 7.518 955 HZ2 LYS 121 HZ2 LYS 121 -17.044 -5.139 5.959 956 HZ3 LYS 121 HZ3 LYS 121 -18.061 -3.936 6.570 957 H LEU 122 H LEU 122 -11.632 -2.641 10.107 958 HA LEU 122 HA LEU 122 -10.664 -5.294 9.770 959 HB2 LEU 122 HB2 LEU 122 -9.435 -2.656 10.492 960 HB3 LEU 122 HB3 LEU 122 -8.504 -4.079 10.915 961 HG LEU 122 HG LEU 122 -8.301 -4.762 8.608 962 HD11 LEU 122 HD11 LEU 122 -10.176 -2.510 7.843 963 HD12 LEU 122 HD12 LEU 122 -10.539 -4.239 7.788 964 HD13 LEU 122 HD13 LEU 122 -9.307 -3.563 6.722 965 HD21 LEU 122 HD21 LEU 122 -7.829 -1.772 8.807 966 HD22 LEU 122 HD22 LEU 122 -7.092 -2.863 7.629 967 HD23 LEU 122 HD23 LEU 122 -6.722 -3.041 9.343 968 H ARG 123 H ARG 123 -11.291 -3.333 12.653 969 HA ARG 123 HA ARG 123 -10.408 -5.247 14.580 970 HB2 ARG 123 HB2 ARG 123 -10.671 -2.829 15.092 971 HB3 ARG 123 HB3 ARG 123 -12.414 -2.971 14.874 972 HG2 ARG 123 HG2 ARG 123 -12.512 -4.548 16.796 973 HG3 ARG 123 HG3 ARG 123 -10.771 -4.369 17.019 974 HD2 ARG 123 HD2 ARG 123 -11.077 -1.977 17.534 975 HD3 ARG 123 HD3 ARG 123 -12.818 -2.135 17.257 976 HE ARG 123 HE ARG 123 -11.594 -3.835 19.309 977 HH11 ARG 123 HH11 ARG 123 -13.560 -1.075 18.637 978 HH12 ARG 123 HH12 ARG 123 -14.185 -1.005 20.241 979 HH21 ARG 123 HH21 ARG 123 -12.416 -3.733 21.342 980 HH22 ARG 123 HH22 ARG 123 -13.568 -2.515 21.755 981 H ARG 124 H ARG 124 -13.547 -4.615 13.001 982 HA ARG 124 HA ARG 124 -15.171 -6.381 14.530 983 HB2 ARG 124 HB2 ARG 124 -15.540 -5.497 11.635 984 HB3 ARG 124 HB3 ARG 124 -16.767 -6.307 12.606 985 HG2 ARG 124 HG2 ARG 124 -16.715 -4.343 14.182 986 HG3 ARG 124 HG3 ARG 124 -15.616 -3.540 13.051 987 HD2 ARG 124 HD2 ARG 124 -17.934 -2.780 12.721 988 HD3 ARG 124 HD3 ARG 124 -17.331 -3.621 11.293 989 HE ARG 124 HE ARG 124 -18.685 -5.515 11.875 990 HH11 ARG 124 HH11 ARG 124 -19.398 -2.738 13.823 991 HH12 ARG 124 HH12 ARG 124 -20.996 -3.283 14.188 992 HH21 ARG 124 HH21 ARG 124 -20.697 -6.198 12.384 993 HH22 ARG 124 HH22 ARG 124 -21.725 -5.224 13.376 994 H THR 125 H THR 125 -13.662 -6.896 11.305 995 HA THR 125 HA THR 125 -14.531 -9.599 11.048 996 HB THR 125 HB THR 125 -14.053 -8.195 9.054 997 HG1 THR 125 HG1 THR 125 -12.411 -10.539 9.179 998 HG21 THR 125 HG21 THR 125 -11.746 -7.843 8.253 999 HG22 THR 125 HG22 THR 125 -11.103 -8.551 9.737 1000 HG23 THR 125 HG23 THR 125 -11.989 -7.026 9.799 1001 H CYS 126 H CYS 126 -11.661 -8.114 12.384 1002 HA CYS 126 HA CYS 126 -9.733 -8.815 13.303 1003 HB2 CYS 126 HB2 CYS 126 -11.258 -11.393 13.854 1004 HB3 CYS 126 HB3 CYS 126 -9.758 -10.905 14.639 1005 HG CYS 126 HG CYS 126 -12.508 -8.915 14.855 1006 H GLY 127 H GLY 127 -8.610 -8.719 11.305 1007 HA2 GLY 127 HA2 GLY 127 -6.938 -10.657 10.492 1008 HA3 GLY 127 HA3 GLY 127 -8.386 -11.078 9.584 1009 H PHE 128 H PHE 128 -8.306 -10.354 7.559 1010 HA PHE 128 HA PHE 128 -7.071 -7.724 6.920 1011 HB2 PHE 128 HB2 PHE 128 -5.553 -9.573 6.252 1012 HB3 PHE 128 HB3 PHE 128 -6.849 -10.333 5.337 1013 HD1 PHE 128 HD2 PHE 128 -4.796 -7.193 5.491 1014 HD2 PHE 128 HD1 PHE 128 -7.108 -9.811 3.026 1015 HE1 PHE 128 HE2 PHE 128 -4.079 -5.949 3.499 1016 HE2 PHE 128 HE1 PHE 128 -6.386 -8.558 1.033 1017 HZ PHE 128 HZ PHE 128 -4.873 -6.629 1.269 1018 H LEU 129 H LEU 129 -8.549 -6.392 6.022 1019 HA LEU 129 HA LEU 129 -10.634 -7.465 4.209 1020 HB2 LEU 129 HB2 LEU 129 -11.566 -6.758 6.449 1021 HB3 LEU 129 HB3 LEU 129 -10.990 -5.137 6.159 1022 HG LEU 129 HG LEU 129 -13.496 -5.550 5.834 1023 HD11 LEU 129 HD11 LEU 129 -12.463 -3.518 4.966 1024 HD12 LEU 129 HD12 LEU 129 -13.758 -4.079 3.913 1025 HD13 LEU 129 HD13 LEU 129 -12.071 -4.337 3.452 1026 HD21 LEU 129 HD21 LEU 129 -13.354 -7.708 4.692 1027 HD22 LEU 129 HD22 LEU 129 -12.613 -6.936 3.287 1028 HD23 LEU 129 HD23 LEU 129 -14.272 -6.538 3.745 1029 H GLU 130 H GLU 130 -10.872 -6.395 2.292 1030 HA GLU 130 HA GLU 130 -9.532 -3.888 1.658 1031 HB2 GLU 130 HB2 GLU 130 -7.795 -5.819 1.614 1032 HB3 GLU 130 HB3 GLU 130 -8.650 -6.433 0.209 1033 HG2 GLU 130 HG2 GLU 130 -7.841 -3.594 -0.067 1034 HG3 GLU 130 HG3 GLU 130 -6.471 -4.665 0.198 1035 H HIS 131 H HIS 131 -9.703 -3.839 -1.052 1036 HA HIS 131 HA HIS 131 -10.850 -3.966 -2.978 1037 HB2 HIS 131 HB2 HIS 131 -12.744 -5.920 -1.627 1038 HB3 HIS 131 HB3 HIS 131 -12.784 -5.505 -3.336 1039 HD1 HIS 131 HD1 HIS 131 -9.629 -5.640 -3.737 1040 HD2 HIS 131 HD2 HIS 131 -11.993 -8.574 -1.977 1041 HE1 HIS 131 HE1 HIS 131 -8.377 -7.787 -4.049 1042 HE2 HIS 131 HE2 HIS 131 -9.907 -9.561 -3.156 1043 H HIS 132 H HIS 132 -12.758 -3.269 -0.068 1044 HA HIS 132 HA HIS 132 -14.894 -1.916 -1.379 1045 HB2 HIS 132 HB2 HIS 132 -14.854 -2.832 1.043 1046 HB3 HIS 132 HB3 HIS 132 -13.999 -1.360 1.484 1047 HD1 HIS 132 HD1 HIS 132 -15.400 0.781 1.692 1048 HD2 HIS 132 HD2 HIS 132 -17.564 -2.453 0.233 1049 HE1 HIS 132 HE1 HIS 132 -17.792 1.529 1.665 1050 HE2 HIS 132 HE2 HIS 132 -19.056 -0.373 0.621 1051 H HIS 133 H HIS 133 -11.720 -0.863 -0.271 1052 HA HIS 133 HA HIS 133 -12.016 1.932 -0.900 1053 HB2 HIS 133 HB2 HIS 133 -10.209 0.987 0.607 1054 HB3 HIS 133 HB3 HIS 133 -9.458 0.244 -0.793 1055 HD1 HIS 133 HD1 HIS 133 -8.143 2.370 1.156 1056 HD2 HIS 133 HD2 HIS 133 -9.653 3.200 -2.627 1057 HE1 HIS 133 HE1 HIS 133 -6.932 4.429 0.385 1058 HE2 HIS 133 HE2 HIS 133 -7.763 4.829 -1.952 1059 H HIS 134 H HIS 134 -11.906 2.872 -2.912 1060 HA HIS 134 HA HIS 134 -12.175 1.443 -5.306 1061 HB2 HIS 134 HB2 HIS 134 -11.335 4.348 -4.900 1062 HB3 HIS 134 HB3 HIS 134 -11.891 3.665 -6.431 1063 HD1 HIS 134 HD1 HIS 134 -13.144 5.351 -3.479 1064 HD2 HIS 134 HD2 HIS 134 -14.665 2.618 -6.213 1065 HE1 HIS 134 HE1 HIS 134 -15.628 5.396 -3.153 1066 HE2 HIS 134 HE2 HIS 134 -16.534 3.815 -4.888 1067 H HIS 135 H HIS 135 -10.735 0.433 -6.614 1068 HA HIS 135 HA HIS 135 -8.041 0.206 -5.464 1069 HB2 HIS 135 HB2 HIS 135 -9.621 -1.750 -5.524 1070 HB3 HIS 135 HB3 HIS 135 -9.542 -1.725 -7.279 1071 HD1 HIS 135 HD1 HIS 135 -7.866 -3.276 -8.241 1072 HD2 HIS 135 HD2 HIS 135 -6.892 -2.220 -4.347 1073 HE1 HIS 135 HE1 HIS 135 -5.817 -4.592 -7.693 1074 HE2 HIS 135 HE2 HIS 135 -5.344 -4.064 -5.286 1075 H HIS 136 H HIS 136 -9.297 1.711 -8.239 1076 HA HIS 136 HA HIS 136 -6.649 1.713 -9.514 1077 HB2 HIS 136 HB2 HIS 136 -7.533 1.121 -11.757 1078 HB3 HIS 136 HB3 HIS 136 -7.733 -0.191 -10.609 1079 HD1 HIS 136 HD1 HIS 136 -9.596 1.927 -12.956 1080 HD2 HIS 136 HD2 HIS 136 -10.497 -0.568 -9.756 1081 HE1 HIS 136 HE1 HIS 136 -12.049 1.447 -13.153 1082 HE2 HIS 136 HE2 HIS 136 -12.590 0.028 -11.155 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -3.881 22.793 -8.651 2 H2 MET 1 H2 MET 1 -5.427 22.199 -8.992 3 H3 MET 1 H3 MET 1 -4.171 21.129 -8.631 4 HA MET 1 HA MET 1 -5.290 23.135 -6.767 5 HB2 MET 1 HB2 MET 1 -5.714 20.122 -6.929 6 HB3 MET 1 HB3 MET 1 -6.204 21.103 -5.553 7 HG2 MET 1 HG2 MET 1 -7.261 21.404 -8.376 8 HG3 MET 1 HG3 MET 1 -8.088 20.587 -7.048 9 HE1 MET 1 HE1 MET 1 -7.313 22.594 -4.578 10 HE2 MET 1 HE2 MET 1 -8.913 21.884 -4.811 11 HE3 MET 1 HE3 MET 1 -8.741 23.626 -4.586 12 H LYS 2 H LYS 2 -4.403 23.112 -4.669 13 HA LYS 2 HA LYS 2 -1.719 22.186 -4.256 14 HB2 LYS 2 HB2 LYS 2 -2.548 24.219 -3.144 15 HB3 LYS 2 HB3 LYS 2 -3.810 23.301 -2.329 16 HG2 LYS 2 HG2 LYS 2 -2.029 22.046 -1.087 17 HG3 LYS 2 HG3 LYS 2 -0.815 23.081 -1.846 18 HD2 LYS 2 HD2 LYS 2 -3.086 24.080 -0.076 19 HD3 LYS 2 HD3 LYS 2 -1.440 23.778 0.486 20 HE2 LYS 2 HE2 LYS 2 -2.189 25.784 -1.675 21 HE3 LYS 2 HE3 LYS 2 -1.891 26.187 0.017 22 HZ1 LYS 2 HZ1 LYS 2 0.064 26.597 -1.281 23 HZ2 LYS 2 HZ2 LYS 2 0.070 25.016 -1.879 24 HZ3 LYS 2 HZ3 LYS 2 0.361 25.299 -0.240 25 H LYS 3 H LYS 3 -1.109 20.146 -3.597 26 HA LYS 3 HA LYS 3 -3.139 18.348 -2.416 27 HB2 LYS 3 HB2 LYS 3 -0.494 17.596 -3.726 28 HB3 LYS 3 HB3 LYS 3 -1.703 16.475 -3.092 29 HG2 LYS 3 HG2 LYS 3 -3.332 17.577 -4.792 30 HG3 LYS 3 HG3 LYS 3 -1.879 18.256 -5.539 31 HD2 LYS 3 HD2 LYS 3 -0.984 15.905 -5.747 32 HD3 LYS 3 HD3 LYS 3 -2.541 15.317 -5.144 33 HE2 LYS 3 HE2 LYS 3 -3.686 16.276 -7.088 34 HE3 LYS 3 HE3 LYS 3 -2.170 16.971 -7.669 35 HZ1 LYS 3 HZ1 LYS 3 -1.301 14.696 -7.883 36 HZ2 LYS 3 HZ2 LYS 3 -2.645 14.979 -8.863 37 HZ3 LYS 3 HZ3 LYS 3 -2.812 14.081 -7.437 38 H GLU 4 H GLU 4 -2.618 17.001 -0.664 39 HA GLU 4 HA GLU 4 -0.568 18.078 1.186 40 HB2 GLU 4 HB2 GLU 4 -2.854 18.829 1.776 41 HB3 GLU 4 HB3 GLU 4 -3.409 17.159 1.808 42 HG2 GLU 4 HG2 GLU 4 -1.905 16.699 3.714 43 HG3 GLU 4 HG3 GLU 4 -1.354 18.375 3.677 44 H LYS 5 H LYS 5 0.601 16.614 2.358 45 HA LYS 5 HA LYS 5 0.606 13.820 1.784 46 HB2 LYS 5 HB2 LYS 5 2.561 15.278 2.639 47 HB3 LYS 5 HB3 LYS 5 1.857 15.141 4.240 48 HG2 LYS 5 HG2 LYS 5 2.718 12.746 2.578 49 HG3 LYS 5 HG3 LYS 5 3.792 13.574 3.695 50 HD2 LYS 5 HD2 LYS 5 1.221 12.122 4.448 51 HD3 LYS 5 HD3 LYS 5 2.860 11.507 4.676 52 HE2 LYS 5 HE2 LYS 5 1.654 13.948 6.029 53 HE3 LYS 5 HE3 LYS 5 1.968 12.384 6.781 54 HZ1 LYS 5 HZ1 LYS 5 4.026 14.221 5.681 55 HZ2 LYS 5 HZ2 LYS 5 4.332 12.721 6.386 56 HZ3 LYS 5 HZ3 LYS 5 3.692 13.974 7.321 57 H ILE 6 H ILE 6 -0.536 12.230 2.702 58 HA ILE 6 HA ILE 6 -1.958 12.555 5.261 59 HB ILE 6 HB ILE 6 -4.004 11.473 4.376 60 HG12 ILE 6 HG12 ILE 6 -2.580 11.532 1.677 61 HG13 ILE 6 HG13 ILE 6 -3.121 10.109 2.571 62 HG21 ILE 6 HG21 ILE 6 -3.274 13.939 2.752 63 HG22 ILE 6 HG22 ILE 6 -3.935 13.934 4.389 64 HG23 ILE 6 HG23 ILE 6 -4.914 13.347 3.044 65 HD11 ILE 6 HD11 ILE 6 -4.880 12.162 1.238 66 HD12 ILE 6 HD12 ILE 6 -5.448 10.772 2.168 67 HD13 ILE 6 HD13 ILE 6 -4.537 10.526 0.678 68 H HIS 7 H HIS 7 -1.125 10.968 6.569 69 HA HIS 7 HA HIS 7 -0.427 8.355 5.414 70 HB2 HIS 7 HB2 HIS 7 0.577 7.787 7.572 71 HB3 HIS 7 HB3 HIS 7 1.192 9.330 6.999 72 HD1 HIS 7 HD1 HIS 7 -0.656 7.750 9.806 73 HD2 HIS 7 HD2 HIS 7 0.370 11.583 8.559 74 HE1 HIS 7 HE1 HIS 7 -1.102 9.238 11.775 75 HE2 HIS 7 HE2 HIS 7 -0.286 11.506 11.058 76 H LEU 8 H LEU 8 -1.953 6.842 5.260 77 HA LEU 8 HA LEU 8 -4.323 6.872 6.985 78 HB2 LEU 8 HB2 LEU 8 -3.675 5.102 4.576 79 HB3 LEU 8 HB3 LEU 8 -5.198 5.124 5.440 80 HG LEU 8 HG LEU 8 -5.599 6.303 3.430 81 HD11 LEU 8 HD11 LEU 8 -6.162 8.584 4.107 82 HD12 LEU 8 HD12 LEU 8 -5.156 8.414 5.547 83 HD13 LEU 8 HD13 LEU 8 -6.590 7.405 5.348 84 HD21 LEU 8 HD21 LEU 8 -3.099 7.964 3.879 85 HD22 LEU 8 HD22 LEU 8 -4.243 8.144 2.544 86 HD23 LEU 8 HD23 LEU 8 -3.293 6.667 2.696 87 H GLU 9 H GLU 9 -4.229 5.607 8.826 88 HA GLU 9 HA GLU 9 -2.085 3.555 9.013 89 HB2 GLU 9 HB2 GLU 9 -1.480 5.834 9.923 90 HB3 GLU 9 HB3 GLU 9 -2.728 5.633 11.148 91 HG2 GLU 9 HG2 GLU 9 -1.545 3.724 12.092 92 HG3 GLU 9 HG3 GLU 9 -0.359 3.771 10.785 93 H TYR 10 H TYR 10 -2.657 1.668 9.940 94 HA TYR 10 HA TYR 10 -5.402 1.390 11.062 95 HB2 TYR 10 HB2 TYR 10 -4.078 -0.558 9.109 96 HB3 TYR 10 HB3 TYR 10 -5.736 -0.612 9.702 97 HD1 TYR 10 HD1 TYR 10 -7.305 1.361 9.055 98 HD2 TYR 10 HD2 TYR 10 -3.582 0.632 7.080 99 HE1 TYR 10 HE1 TYR 10 -8.035 2.733 7.163 100 HE2 TYR 10 HE2 TYR 10 -4.327 2.007 5.176 101 HH TYR 10 HH TYR 10 -6.460 2.779 4.170 102 H LEU 11 H LEU 11 -5.670 -0.201 12.684 103 HA LEU 11 HA LEU 11 -3.211 -1.571 13.617 104 HB2 LEU 11 HB2 LEU 11 -4.790 -1.764 15.814 105 HB3 LEU 11 HB3 LEU 11 -3.695 -0.434 15.514 106 HG LEU 11 HG LEU 11 -5.668 0.873 14.571 107 HD11 LEU 11 HD11 LEU 11 -7.944 0.211 15.192 108 HD12 LEU 11 HD12 LEU 11 -7.339 -1.333 15.799 109 HD13 LEU 11 HD13 LEU 11 -7.212 -0.948 14.082 110 HD21 LEU 11 HD21 LEU 11 -6.518 1.536 16.779 111 HD22 LEU 11 HD22 LEU 11 -4.772 1.300 16.819 112 HD23 LEU 11 HD23 LEU 11 -5.841 0.068 17.494 113 H LEU 12 H LEU 12 -3.168 -3.497 12.636 114 HA LEU 12 HA LEU 12 -5.561 -5.152 12.378 115 HB2 LEU 12 HB2 LEU 12 -2.739 -5.402 11.316 116 HB3 LEU 12 HB3 LEU 12 -3.841 -6.771 11.269 117 HG LEU 12 HG LEU 12 -5.465 -5.183 10.011 118 HD11 LEU 12 HD11 LEU 12 -4.326 -3.072 10.476 119 HD12 LEU 12 HD12 LEU 12 -4.464 -3.363 8.743 120 HD13 LEU 12 HD13 LEU 12 -2.916 -3.615 9.555 121 HD21 LEU 12 HD21 LEU 12 -4.483 -5.750 7.856 122 HD22 LEU 12 HD22 LEU 12 -4.343 -7.101 8.984 123 HD23 LEU 12 HD23 LEU 12 -2.934 -6.098 8.629 124 H ASN 13 H ASN 13 -4.943 -7.632 12.635 125 HA ASN 13 HA ASN 13 -4.983 -7.982 15.467 126 HB2 ASN 13 HB2 ASN 13 -5.524 -10.364 14.905 127 HB3 ASN 13 HB3 ASN 13 -6.570 -9.204 14.101 128 HD21 ASN 13 HD21 ASN 13 -4.110 -11.616 13.644 129 HD22 ASN 13 HD22 ASN 13 -4.201 -11.664 11.922 130 H ALA 14 H ALA 14 -3.853 -9.894 16.485 131 HA ALA 14 HA ALA 14 -1.053 -9.477 16.533 132 HB1 ALA 14 HB1 ALA 14 -0.998 -11.274 18.218 133 HB2 ALA 14 HB2 ALA 14 -2.649 -11.740 17.792 134 HB3 ALA 14 HB3 ALA 14 -2.336 -10.164 18.521 135 H THR 15 H THR 15 -2.901 -12.368 15.440 136 HA THR 15 HA THR 15 -0.517 -13.595 14.289 137 HB THR 15 HB THR 15 -3.401 -14.582 14.070 138 HG1 THR 15 HG1 THR 15 -1.527 -14.689 16.152 139 HG21 THR 15 HG21 THR 15 -0.750 -16.072 13.816 140 HG22 THR 15 HG22 THR 15 -1.839 -15.681 12.483 141 HG23 THR 15 HG23 THR 15 -2.351 -16.808 13.739 142 H SER 16 H SER 16 -0.260 -11.576 12.912 143 HA SER 16 HA SER 16 -1.610 -11.927 10.285 144 HB2 SER 16 HB2 SER 16 -0.443 -9.394 11.514 145 HB3 SER 16 HB3 SER 16 -0.964 -9.520 9.834 146 HG SER 16 HG SER 16 -2.466 -9.381 12.164 147 H LYS 17 H LYS 17 -0.105 -10.964 8.499 148 HA LYS 17 HA LYS 17 2.679 -11.950 8.812 149 HB2 LYS 17 HB2 LYS 17 1.266 -13.703 7.752 150 HB3 LYS 17 HB3 LYS 17 0.744 -12.560 6.528 151 HG2 LYS 17 HG2 LYS 17 2.330 -13.844 5.404 152 HG3 LYS 17 HG3 LYS 17 3.262 -12.424 5.867 153 HD2 LYS 17 HD2 LYS 17 3.265 -14.957 7.551 154 HD3 LYS 17 HD3 LYS 17 4.342 -14.777 6.169 155 HE2 LYS 17 HE2 LYS 17 5.397 -12.818 7.234 156 HE3 LYS 17 HE3 LYS 17 4.280 -12.940 8.593 157 HZ1 LYS 17 HZ1 LYS 17 6.377 -13.920 9.137 158 HZ2 LYS 17 HZ2 LYS 17 6.293 -14.967 7.809 159 HZ3 LYS 17 HZ3 LYS 17 5.190 -15.118 9.079 160 H ASN 18 H ASN 18 4.206 -10.694 7.693 161 HA ASN 18 HA ASN 18 3.544 -8.077 6.898 162 HB2 ASN 18 HB2 ASN 18 5.900 -8.011 5.935 163 HB3 ASN 18 HB3 ASN 18 5.754 -8.400 7.642 164 HD21 ASN 18 HD21 ASN 18 7.832 -9.334 7.605 165 HD22 ASN 18 HD22 ASN 18 8.113 -10.885 6.906 166 H ILE 19 H ILE 19 3.676 -10.995 4.988 167 HA ILE 19 HA ILE 19 3.855 -10.032 2.376 168 HB ILE 19 HB ILE 19 2.361 -12.500 3.344 169 HG12 ILE 19 HG12 ILE 19 4.709 -12.500 4.117 170 HG13 ILE 19 HG13 ILE 19 4.493 -13.727 2.877 171 HG21 ILE 19 HG21 ILE 19 3.445 -11.918 0.557 172 HG22 ILE 19 HG22 ILE 19 1.746 -12.043 1.011 173 HG23 ILE 19 HG23 ILE 19 2.782 -13.468 1.088 174 HD11 ILE 19 HD11 ILE 19 5.544 -12.231 1.230 175 HD12 ILE 19 HD12 ILE 19 6.601 -12.559 2.604 176 HD13 ILE 19 HD13 ILE 19 5.762 -11.013 2.490 177 H LEU 20 H LEU 20 1.156 -9.642 4.529 178 HA LEU 20 HA LEU 20 -1.137 -9.500 3.076 179 HB2 LEU 20 HB2 LEU 20 -0.096 -7.455 5.066 180 HB3 LEU 20 HB3 LEU 20 -1.741 -7.403 4.453 181 HG LEU 20 HG LEU 20 -0.605 -9.758 6.008 182 HD11 LEU 20 HD11 LEU 20 -0.598 -7.732 7.407 183 HD12 LEU 20 HD12 LEU 20 -1.793 -8.907 7.964 184 HD13 LEU 20 HD13 LEU 20 -2.314 -7.482 7.060 185 HD21 LEU 20 HD21 LEU 20 -2.509 -10.353 4.573 186 HD22 LEU 20 HD22 LEU 20 -3.477 -9.064 5.295 187 HD23 LEU 20 HD23 LEU 20 -2.952 -10.435 6.278 188 H TRP 21 H TRP 21 0.973 -6.608 3.383 189 HA TRP 21 HA TRP 21 0.162 -5.689 0.705 190 HB2 TRP 21 HB2 TRP 21 1.401 -4.303 3.077 191 HB3 TRP 21 HB3 TRP 21 1.547 -3.597 1.471 192 HD1 TRP 21 HD1 TRP 21 -1.067 -4.272 4.205 193 HE1 TRP 21 HE1 TRP 21 -3.164 -2.887 3.668 194 HE3 TRP 21 HE3 TRP 21 0.171 -2.673 -0.499 195 HZ2 TRP 21 HZ2 TRP 21 -4.168 -1.315 1.555 196 HZ3 TRP 21 HZ3 TRP 21 -1.421 -1.235 -1.716 197 HH2 TRP 21 HH2 TRP 21 -3.552 -0.572 -0.710 198 H SER 22 H SER 22 3.007 -6.905 2.454 199 HA SER 22 HA SER 22 5.026 -6.054 0.676 200 HB2 SER 22 HB2 SER 22 5.556 -7.010 2.889 201 HB3 SER 22 HB3 SER 22 5.042 -8.600 2.340 202 HG SER 22 HG SER 22 7.427 -7.415 2.043 203 H ALA 23 H ALA 23 2.615 -8.452 0.132 204 HA ALA 23 HA ALA 23 3.609 -10.091 -1.873 205 HB1 ALA 23 HB1 ALA 23 1.290 -10.216 -2.687 206 HB2 ALA 23 HB2 ALA 23 0.884 -8.769 -1.758 207 HB3 ALA 23 HB3 ALA 23 1.344 -10.251 -0.922 208 H ILE 24 H ILE 24 2.877 -6.650 -2.063 209 HA ILE 24 HA ILE 24 2.799 -6.408 -4.902 210 HB ILE 24 HB ILE 24 2.782 -3.995 -4.600 211 HG12 ILE 24 HG12 ILE 24 3.650 -4.591 -1.735 212 HG13 ILE 24 HG13 ILE 24 4.495 -3.620 -2.928 213 HG21 ILE 24 HG21 ILE 24 1.106 -5.363 -2.460 214 HG22 ILE 24 HG22 ILE 24 0.689 -5.217 -4.171 215 HG23 ILE 24 HG23 ILE 24 0.791 -3.774 -3.165 216 HD11 ILE 24 HD11 ILE 24 2.651 -1.946 -2.763 217 HD12 ILE 24 HD12 ILE 24 3.559 -2.194 -1.273 218 HD13 ILE 24 HD13 ILE 24 1.964 -2.920 -1.456 219 H SER 25 H SER 25 5.450 -6.787 -2.779 220 HA SER 25 HA SER 25 7.454 -5.459 -4.381 221 HB2 SER 25 HB2 SER 25 9.080 -6.418 -2.892 222 HB3 SER 25 HB3 SER 25 7.681 -6.025 -1.896 223 HG SER 25 HG SER 25 7.466 -8.061 -1.433 224 H THR 26 H THR 26 5.982 -8.632 -4.309 225 HA THR 26 HA THR 26 7.857 -9.737 -6.312 226 HB THR 26 HB THR 26 6.800 -11.942 -5.812 227 HG1 THR 26 HG1 THR 26 4.957 -10.382 -4.544 228 HG21 THR 26 HG21 THR 26 8.782 -11.292 -4.544 229 HG22 THR 26 HG22 THR 26 7.685 -12.222 -3.521 230 HG23 THR 26 HG23 THR 26 7.782 -10.466 -3.346 231 HA PRO 27 HA PRO 27 4.836 -9.560 -9.729 232 HB2 PRO 27 HB2 PRO 27 5.558 -12.007 -10.918 233 HB3 PRO 27 HB3 PRO 27 6.380 -10.466 -11.201 234 HG2 PRO 27 HG2 PRO 27 7.090 -12.657 -9.227 235 HG3 PRO 27 HG3 PRO 27 8.154 -11.782 -10.359 236 HD2 PRO 27 HD2 PRO 27 8.116 -11.084 -7.816 237 HD3 PRO 27 HD3 PRO 27 8.090 -9.803 -9.052 238 H THR 28 H THR 28 5.288 -12.836 -8.321 239 HA THR 28 HA THR 28 2.840 -13.992 -8.782 240 HB THR 28 HB THR 28 3.365 -15.519 -6.851 241 HG1 THR 28 HG1 THR 28 5.668 -14.916 -6.003 242 HG21 THR 28 HG21 THR 28 5.512 -16.380 -7.715 243 HG22 THR 28 HG22 THR 28 5.768 -14.878 -8.605 244 HG23 THR 28 HG23 THR 28 4.431 -15.947 -9.041 245 H GLY 29 H GLY 29 3.772 -12.216 -5.825 246 HA2 GLY 29 HA2 GLY 29 1.282 -12.484 -4.466 247 HA3 GLY 29 HA3 GLY 29 2.553 -11.331 -4.095 248 H LEU 30 H LEU 30 2.562 -9.989 -6.618 249 HA LEU 30 HA LEU 30 0.616 -7.983 -6.150 250 HB2 LEU 30 HB2 LEU 30 2.995 -8.253 -7.667 251 HB3 LEU 30 HB3 LEU 30 1.777 -7.838 -8.849 252 HG LEU 30 HG LEU 30 2.438 -6.227 -6.371 253 HD11 LEU 30 HD11 LEU 30 4.251 -6.150 -7.979 254 HD12 LEU 30 HD12 LEU 30 3.434 -4.593 -7.866 255 HD13 LEU 30 HD13 LEU 30 3.126 -5.651 -9.248 256 HD21 LEU 30 HD21 LEU 30 0.099 -5.940 -6.964 257 HD22 LEU 30 HD22 LEU 30 0.549 -5.537 -8.625 258 HD23 LEU 30 HD23 LEU 30 1.015 -4.471 -7.296 259 H GLU 31 H GLU 31 0.896 -10.293 -8.876 260 HA GLU 31 HA GLU 31 -1.424 -9.463 -10.285 261 HB2 GLU 31 HB2 GLU 31 -1.110 -11.506 -11.628 262 HB3 GLU 31 HB3 GLU 31 0.417 -10.679 -11.354 263 HG2 GLU 31 HG2 GLU 31 0.874 -12.325 -9.489 264 HG3 GLU 31 HG3 GLU 31 -0.552 -13.222 -10.013 265 H ASP 32 H ASP 32 -1.138 -11.391 -7.476 266 HA ASP 32 HA ASP 32 -3.402 -13.053 -7.628 267 HB2 ASP 32 HB2 ASP 32 -1.627 -13.346 -5.946 268 HB3 ASP 32 HB3 ASP 32 -2.027 -11.798 -5.210 269 H TRP 33 H TRP 33 -3.106 -9.611 -6.687 270 HA TRP 33 HA TRP 33 -6.035 -9.398 -6.335 271 HB2 TRP 33 HB2 TRP 33 -5.833 -8.382 -4.119 272 HB3 TRP 33 HB3 TRP 33 -5.066 -9.963 -4.105 273 HD1 TRP 33 HD1 TRP 33 -2.154 -9.493 -4.880 274 HE1 TRP 33 HE1 TRP 33 -0.574 -7.987 -3.534 275 HE3 TRP 33 HE3 TRP 33 -5.635 -6.624 -2.486 276 HZ2 TRP 33 HZ2 TRP 33 -0.767 -5.859 -1.682 277 HZ3 TRP 33 HZ3 TRP 33 -4.859 -4.871 -0.937 278 HH2 TRP 33 HH2 TRP 33 -2.472 -4.497 -0.543 279 H PHE 34 H PHE 34 -3.804 -8.188 -8.182 280 HA PHE 34 HA PHE 34 -4.827 -5.402 -8.012 281 HB2 PHE 34 HB2 PHE 34 -2.546 -5.484 -7.021 282 HB3 PHE 34 HB3 PHE 34 -1.915 -6.159 -8.514 283 HD1 PHE 34 HD2 PHE 34 -3.416 -3.099 -6.997 284 HD2 PHE 34 HD1 PHE 34 -1.331 -4.708 -10.369 285 HE1 PHE 34 HE2 PHE 34 -2.990 -0.825 -7.832 286 HE2 PHE 34 HE1 PHE 34 -0.908 -2.432 -11.187 287 HZ PHE 34 HZ PHE 34 -1.741 -0.487 -9.927 288 H ALA 35 H ALA 35 -2.567 -7.123 -10.212 289 HA ALA 35 HA ALA 35 -4.143 -6.200 -12.535 290 HB1 ALA 35 HB1 ALA 35 -1.720 -5.688 -12.501 291 HB2 ALA 35 HB2 ALA 35 -2.155 -6.717 -13.868 292 HB3 ALA 35 HB3 ALA 35 -1.359 -7.416 -12.455 293 H ASP 36 H ASP 36 -4.237 -7.765 -14.427 294 HA ASP 36 HA ASP 36 -5.425 -10.274 -13.791 295 HB2 ASP 36 HB2 ASP 36 -5.728 -8.886 -15.947 296 HB3 ASP 36 HB3 ASP 36 -4.164 -9.504 -16.472 297 H LYS 37 H LYS 37 -2.267 -9.330 -15.050 298 HA LYS 37 HA LYS 37 -0.901 -11.624 -13.862 299 HB2 LYS 37 HB2 LYS 37 -1.711 -12.032 -16.374 300 HB3 LYS 37 HB3 LYS 37 -0.377 -10.971 -16.795 301 HG2 LYS 37 HG2 LYS 37 -0.063 -13.524 -15.187 302 HG3 LYS 37 HG3 LYS 37 0.075 -13.449 -16.944 303 HD2 LYS 37 HD2 LYS 37 2.004 -11.923 -16.739 304 HD3 LYS 37 HD3 LYS 37 1.846 -11.938 -14.981 305 HE2 LYS 37 HE2 LYS 37 2.501 -14.350 -16.711 306 HE3 LYS 37 HE3 LYS 37 3.653 -13.429 -15.743 307 HZ1 LYS 37 HZ1 LYS 37 2.998 -15.399 -14.574 308 HZ2 LYS 37 HZ2 LYS 37 1.362 -15.010 -14.716 309 HZ3 LYS 37 HZ3 LYS 37 2.373 -14.055 -13.759 310 H VAL 38 H VAL 38 1.166 -10.984 -13.172 311 HA VAL 38 HA VAL 38 2.185 -8.320 -14.039 312 HB VAL 38 HB VAL 38 2.378 -9.568 -11.255 313 HG11 VAL 38 HG11 VAL 38 3.690 -7.551 -10.603 314 HG12 VAL 38 HG12 VAL 38 3.754 -7.056 -12.296 315 HG13 VAL 38 HG13 VAL 38 4.552 -8.545 -11.781 316 HG21 VAL 38 HG21 VAL 38 0.245 -8.406 -11.711 317 HG22 VAL 38 HG22 VAL 38 1.127 -6.954 -12.193 318 HG23 VAL 38 HG23 VAL 38 1.202 -7.518 -10.521 319 H VAL 39 H VAL 39 3.827 -8.657 -15.366 320 HA VAL 39 HA VAL 39 5.797 -10.799 -14.953 321 HB VAL 39 HB VAL 39 5.547 -8.765 -17.219 322 HG11 VAL 39 HG11 VAL 39 7.293 -11.261 -17.055 323 HG12 VAL 39 HG12 VAL 39 7.870 -9.594 -17.002 324 HG13 VAL 39 HG13 VAL 39 7.122 -10.220 -18.472 325 HG21 VAL 39 HG21 VAL 39 4.615 -10.614 -18.566 326 HG22 VAL 39 HG22 VAL 39 3.607 -10.296 -17.153 327 HG23 VAL 39 HG23 VAL 39 4.693 -11.687 -17.165 328 H SER 40 H SER 40 7.558 -10.368 -13.729 329 HA SER 40 HA SER 40 8.412 -7.636 -13.143 330 HB2 SER 40 HB2 SER 40 8.372 -9.282 -11.322 331 HB3 SER 40 HB3 SER 40 9.508 -10.316 -12.191 332 HG SER 40 HG SER 40 10.644 -9.109 -10.695 333 H ASP 41 H ASP 41 10.611 -6.937 -13.420 334 HA ASP 41 HA ASP 41 12.103 -8.121 -15.703 335 HB2 ASP 41 HB2 ASP 41 10.691 -6.157 -16.375 336 HB3 ASP 41 HB3 ASP 41 11.506 -5.165 -15.172 337 H ASP 42 H ASP 42 12.270 -7.989 -12.606 338 HA ASP 42 HA ASP 42 13.792 -8.006 -10.947 339 HB2 ASP 42 HB2 ASP 42 15.836 -7.982 -13.205 340 HB3 ASP 42 HB3 ASP 42 16.203 -8.345 -11.521 341 H LYS 43 H LYS 43 12.961 -5.379 -12.259 342 HA LYS 43 HA LYS 43 14.193 -3.547 -10.486 343 HB2 LYS 43 HB2 LYS 43 15.399 -2.080 -12.043 344 HB3 LYS 43 HB3 LYS 43 16.108 -3.688 -12.053 345 HG2 LYS 43 HG2 LYS 43 15.036 -4.182 -14.213 346 HG3 LYS 43 HG3 LYS 43 14.232 -2.608 -14.191 347 HD2 LYS 43 HD2 LYS 43 16.450 -1.488 -14.242 348 HD3 LYS 43 HD3 LYS 43 17.243 -3.067 -14.296 349 HE2 LYS 43 HE2 LYS 43 15.352 -1.954 -16.406 350 HE3 LYS 43 HE3 LYS 43 17.108 -2.020 -16.535 351 HZ1 LYS 43 HZ1 LYS 43 16.958 -4.447 -16.424 352 HZ2 LYS 43 HZ2 LYS 43 16.089 -3.823 -17.738 353 HZ3 LYS 43 HZ3 LYS 43 15.272 -4.351 -16.357 354 H THR 44 H THR 44 12.383 -4.088 -13.460 355 HA THR 44 HA THR 44 10.502 -1.880 -12.823 356 HB THR 44 HB THR 44 10.987 -3.311 -15.480 357 HG1 THR 44 HG1 THR 44 11.988 -1.427 -16.105 358 HG21 THR 44 HG21 THR 44 9.503 -1.586 -16.476 359 HG22 THR 44 HG22 THR 44 9.156 -0.962 -14.862 360 HG23 THR 44 HG23 THR 44 8.635 -2.588 -15.306 361 H VAL 45 H VAL 45 8.323 -2.411 -12.620 362 HA VAL 45 HA VAL 45 7.553 -5.270 -12.700 363 HB VAL 45 HB VAL 45 6.338 -2.998 -11.058 364 HG11 VAL 45 HG11 VAL 45 4.638 -4.661 -11.698 365 HG12 VAL 45 HG12 VAL 45 4.991 -4.760 -9.975 366 HG13 VAL 45 HG13 VAL 45 5.661 -5.961 -11.077 367 HG21 VAL 45 HG21 VAL 45 8.038 -5.359 -10.150 368 HG22 VAL 45 HG22 VAL 45 7.271 -4.177 -9.085 369 HG23 VAL 45 HG23 VAL 45 8.551 -3.669 -10.190 370 H THR 46 H THR 46 6.555 -5.659 -14.595 371 HA THR 46 HA THR 46 4.905 -3.649 -15.954 372 HB THR 46 HB THR 46 5.670 -6.464 -16.875 373 HG1 THR 46 HG1 THR 46 7.430 -5.596 -17.718 374 HG21 THR 46 HG21 THR 46 3.657 -5.612 -18.042 375 HG22 THR 46 HG22 THR 46 5.041 -5.660 -19.135 376 HG23 THR 46 HG23 THR 46 4.516 -4.122 -18.448 377 H PHE 47 H PHE 47 2.828 -3.532 -15.348 378 HA PHE 47 HA PHE 47 1.344 -5.819 -14.276 379 HB2 PHE 47 HB2 PHE 47 0.320 -2.991 -14.765 380 HB3 PHE 47 HB3 PHE 47 -0.367 -4.214 -13.697 381 HD1 PHE 47 HD1 PHE 47 0.825 -4.831 -11.596 382 HD2 PHE 47 HD2 PHE 47 2.104 -1.577 -14.043 383 HE1 PHE 47 HE1 PHE 47 2.111 -3.911 -9.716 384 HE2 PHE 47 HE2 PHE 47 3.394 -0.667 -12.166 385 HZ PHE 47 HZ PHE 47 3.403 -1.830 -9.987 386 H CYS 48 H CYS 48 0.865 -7.161 -15.969 387 HA CYS 48 HA CYS 48 0.005 -6.168 -18.567 388 HB2 CYS 48 HB2 CYS 48 0.349 -9.012 -17.540 389 HB3 CYS 48 HB3 CYS 48 0.006 -8.574 -19.213 390 HG CYS 48 HG CYS 48 2.459 -6.958 -19.257 391 H TRP 49 H TRP 49 -2.042 -5.418 -18.662 392 HA TRP 49 HA TRP 49 -4.288 -7.156 -17.811 393 HB2 TRP 49 HB2 TRP 49 -4.196 -4.176 -18.431 394 HB3 TRP 49 HB3 TRP 49 -5.698 -5.069 -18.231 395 HD1 TRP 49 HD1 TRP 49 -5.967 -6.290 -15.681 396 HE1 TRP 49 HE1 TRP 49 -5.405 -5.255 -13.399 397 HE3 TRP 49 HE3 TRP 49 -2.699 -2.650 -17.196 398 HZ2 TRP 49 HZ2 TRP 49 -3.799 -3.192 -12.361 399 HZ3 TRP 49 HZ3 TRP 49 -1.692 -1.182 -15.491 400 HH2 TRP 49 HH2 TRP 49 -2.231 -1.449 -13.118 401 H GLY 50 H GLY 50 -4.106 -8.593 -19.537 402 HA2 GLY 50 HA2 GLY 50 -4.632 -9.494 -21.571 403 HA3 GLY 50 HA3 GLY 50 -5.721 -8.133 -21.772 404 H LYS 51 H LYS 51 -2.210 -7.837 -21.484 405 HA LYS 51 HA LYS 51 -0.535 -7.089 -22.790 406 HB2 LYS 51 HB2 LYS 51 -2.289 -7.802 -25.170 407 HB3 LYS 51 HB3 LYS 51 -0.597 -7.330 -25.280 408 HG2 LYS 51 HG2 LYS 51 0.060 -9.345 -24.019 409 HG3 LYS 51 HG3 LYS 51 -1.639 -9.812 -23.866 410 HD2 LYS 51 HD2 LYS 51 -1.798 -9.961 -26.353 411 HD3 LYS 51 HD3 LYS 51 -0.089 -9.533 -26.476 412 HE2 LYS 51 HE2 LYS 51 -1.182 -12.015 -25.106 413 HE3 LYS 51 HE3 LYS 51 -0.469 -11.968 -26.717 414 HZ1 LYS 51 HZ1 LYS 51 1.602 -11.177 -25.678 415 HZ2 LYS 51 HZ2 LYS 51 1.146 -12.712 -25.147 416 HZ3 LYS 51 HZ3 LYS 51 0.895 -11.374 -24.154 417 H THR 52 H THR 52 -3.705 -5.786 -23.818 418 HA THR 52 HA THR 52 -2.724 -3.537 -25.239 419 HB THR 52 HB THR 52 -5.094 -2.717 -25.129 420 HG1 THR 52 HG1 THR 52 -6.554 -3.722 -23.855 421 HG21 THR 52 HG21 THR 52 -4.487 -4.330 -26.902 422 HG22 THR 52 HG22 THR 52 -6.136 -4.616 -26.336 423 HG23 THR 52 HG23 THR 52 -4.826 -5.673 -25.806 424 H GLU 53 H GLU 53 -4.127 -3.766 -21.930 425 HA GLU 53 HA GLU 53 -3.734 -0.883 -21.481 426 HB2 GLU 53 HB2 GLU 53 -5.058 -2.981 -19.709 427 HB3 GLU 53 HB3 GLU 53 -5.114 -1.237 -19.462 428 HG2 GLU 53 HG2 GLU 53 -6.389 -0.978 -21.545 429 HG3 GLU 53 HG3 GLU 53 -6.312 -2.719 -21.822 430 H GLN 54 H GLN 54 -1.387 -2.866 -21.429 431 HA GLN 54 HA GLN 54 -0.745 -3.290 -18.642 432 HB2 GLN 54 HB2 GLN 54 1.262 -4.409 -19.411 433 HB3 GLN 54 HB3 GLN 54 -0.104 -4.934 -20.386 434 HG2 GLN 54 HG2 GLN 54 0.635 -3.478 -22.226 435 HG3 GLN 54 HG3 GLN 54 1.990 -2.909 -21.250 436 HE21 GLN 54 HE21 GLN 54 1.997 -4.289 -23.828 437 HE22 GLN 54 HE22 GLN 54 2.948 -5.713 -23.608 438 H ARG 55 H ARG 55 0.621 -2.196 -17.331 439 HA ARG 55 HA ARG 55 2.005 0.223 -18.353 440 HB2 ARG 55 HB2 ARG 55 0.820 -0.337 -15.599 441 HB3 ARG 55 HB3 ARG 55 1.809 1.071 -15.978 442 HG2 ARG 55 HG2 ARG 55 -0.858 0.435 -17.267 443 HG3 ARG 55 HG3 ARG 55 -0.634 1.534 -15.909 444 HD2 ARG 55 HD2 ARG 55 -0.789 2.928 -17.821 445 HD3 ARG 55 HD3 ARG 55 0.929 2.876 -17.429 446 HE ARG 55 HE ARG 55 0.233 0.901 -19.366 447 HH11 ARG 55 HH11 ARG 55 0.853 4.289 -19.111 448 HH12 ARG 55 HH12 ARG 55 1.348 4.418 -20.757 449 HH21 ARG 55 HH21 ARG 55 0.900 1.087 -21.433 450 HH22 ARG 55 HH22 ARG 55 1.373 2.630 -22.052 451 H GLN 56 H GLN 56 3.877 0.833 -16.909 452 HA GLN 56 HA GLN 56 5.319 -1.465 -15.721 453 HB2 GLN 56 HB2 GLN 56 6.560 0.435 -17.778 454 HB3 GLN 56 HB3 GLN 56 7.452 -0.737 -16.813 455 HG2 GLN 56 HG2 GLN 56 6.023 -2.545 -17.904 456 HG3 GLN 56 HG3 GLN 56 5.446 -1.298 -19.006 457 HE21 GLN 56 HE21 GLN 56 8.167 -3.254 -18.068 458 HE22 GLN 56 HE22 GLN 56 9.149 -2.919 -19.450 459 H ALA 57 H ALA 57 6.227 -0.917 -13.796 460 HA ALA 57 HA ALA 57 6.849 1.919 -13.221 461 HB1 ALA 57 HB1 ALA 57 5.348 0.082 -11.308 462 HB2 ALA 57 HB2 ALA 57 4.637 1.419 -12.215 463 HB3 ALA 57 HB3 ALA 57 5.856 1.742 -10.980 464 H GLY 58 H GLY 58 8.927 2.070 -12.729 465 HA2 GLY 58 HA2 GLY 58 10.532 -0.115 -11.697 466 HA3 GLY 58 HA3 GLY 58 11.060 1.529 -12.024 467 H ILE 59 H ILE 59 11.540 -0.213 -9.670 468 HA ILE 59 HA ILE 59 10.037 0.861 -7.442 469 HB ILE 59 HB ILE 59 12.593 -0.831 -7.452 470 HG12 ILE 59 HG12 ILE 59 10.985 -2.632 -6.524 471 HG13 ILE 59 HG13 ILE 59 9.669 -1.581 -7.020 472 HG21 ILE 59 HG21 ILE 59 12.201 -1.209 -5.024 473 HG22 ILE 59 HG22 ILE 59 10.877 -0.044 -5.060 474 HG23 ILE 59 HG23 ILE 59 12.528 0.488 -5.383 475 HD11 ILE 59 HD11 ILE 59 11.719 -2.838 -8.838 476 HD12 ILE 59 HD12 ILE 59 10.381 -1.803 -9.346 477 HD13 ILE 59 HD13 ILE 59 10.053 -3.368 -8.601 478 H VAL 60 H VAL 60 10.514 2.682 -6.259 479 HA VAL 60 HA VAL 60 12.839 4.318 -6.947 480 HB VAL 60 HB VAL 60 10.595 4.864 -4.938 481 HG11 VAL 60 HG11 VAL 60 12.620 6.211 -4.461 482 HG12 VAL 60 HG12 VAL 60 11.313 7.235 -5.055 483 HG13 VAL 60 HG13 VAL 60 12.639 6.792 -6.130 484 HG21 VAL 60 HG21 VAL 60 9.685 4.629 -7.215 485 HG22 VAL 60 HG22 VAL 60 10.853 5.804 -7.826 486 HG23 VAL 60 HG23 VAL 60 9.603 6.313 -6.691 487 H ALA 61 H ALA 61 11.445 2.745 -4.058 488 HA ALA 61 HA ALA 61 14.015 2.109 -2.923 489 HB1 ALA 61 HB1 ALA 61 12.299 4.174 -1.495 490 HB2 ALA 61 HB2 ALA 61 13.880 4.458 -2.223 491 HB3 ALA 61 HB3 ALA 61 13.736 3.395 -0.823 492 H ILE 62 H ILE 62 13.866 0.552 -1.300 493 HA ILE 62 HA ILE 62 11.365 -0.343 -0.156 494 HB ILE 62 HB ILE 62 11.134 -1.310 -2.428 495 HG12 ILE 62 HG12 ILE 62 11.709 -3.440 -0.307 496 HG13 ILE 62 HG13 ILE 62 10.182 -2.599 -0.541 497 HG21 ILE 62 HG21 ILE 62 12.696 -3.007 -3.310 498 HG22 ILE 62 HG22 ILE 62 13.751 -2.777 -1.914 499 HG23 ILE 62 HG23 ILE 62 13.506 -1.458 -3.061 500 HD11 ILE 62 HD11 ILE 62 9.926 -3.683 -2.714 501 HD12 ILE 62 HD12 ILE 62 10.098 -4.848 -1.404 502 HD13 ILE 62 HD13 ILE 62 11.461 -4.526 -2.474 503 H ARG 63 H ARG 63 11.666 -1.927 1.507 504 HA ARG 63 HA ARG 63 14.185 -3.307 1.847 505 HB2 ARG 63 HB2 ARG 63 14.682 -1.122 2.935 506 HB3 ARG 63 HB3 ARG 63 13.312 -1.340 4.017 507 HG2 ARG 63 HG2 ARG 63 14.392 -3.280 5.045 508 HG3 ARG 63 HG3 ARG 63 15.731 -3.176 3.896 509 HD2 ARG 63 HD2 ARG 63 15.004 -1.075 5.970 510 HD3 ARG 63 HD3 ARG 63 16.338 -2.229 6.098 511 HE ARG 63 HE ARG 63 16.155 -0.035 4.111 512 HH11 ARG 63 HH11 ARG 63 18.130 -2.211 5.942 513 HH12 ARG 63 HH12 ARG 63 19.593 -1.441 5.459 514 HH21 ARG 63 HH21 ARG 63 18.028 0.899 3.493 515 HH22 ARG 63 HH22 ARG 63 19.540 0.309 4.094 516 H ALA 64 H ALA 64 13.178 -5.243 1.857 517 HA ALA 64 HA ALA 64 11.969 -7.051 2.426 518 HB1 ALA 64 HB1 ALA 64 11.886 -7.598 4.812 519 HB2 ALA 64 HB2 ALA 64 12.210 -5.912 5.220 520 HB3 ALA 64 HB3 ALA 64 13.442 -6.867 4.394 521 H TYR 65 H TYR 65 10.477 -5.044 4.944 522 HA TYR 65 HA TYR 65 7.878 -4.878 3.583 523 HB2 TYR 65 HB2 TYR 65 6.652 -5.887 5.435 524 HB3 TYR 65 HB3 TYR 65 7.864 -7.035 4.888 525 HD1 TYR 65 HD2 TYR 65 10.108 -7.131 6.275 526 HD2 TYR 65 HD1 TYR 65 6.535 -5.318 7.748 527 HE1 TYR 65 HE2 TYR 65 10.957 -7.311 8.574 528 HE2 TYR 65 HE1 TYR 65 7.376 -5.491 10.036 529 HH TYR 65 HH TYR 65 10.602 -6.198 10.777 530 H SER 66 H SER 66 10.288 -3.525 5.412 531 HA SER 66 HA SER 66 8.981 -1.944 7.365 532 HB2 SER 66 HB2 SER 66 11.726 -1.488 6.111 533 HB3 SER 66 HB3 SER 66 11.169 -0.912 7.686 534 HG SER 66 HG SER 66 11.552 -2.812 8.513 535 H PHE 67 H PHE 67 9.347 -1.533 3.972 536 HA PHE 67 HA PHE 67 7.683 0.599 3.614 537 HB2 PHE 67 HB2 PHE 67 9.162 2.507 2.943 538 HB3 PHE 67 HB3 PHE 67 9.238 2.154 4.660 539 HD1 PHE 67 HD1 PHE 67 11.131 1.970 1.462 540 HD2 PHE 67 HD2 PHE 67 11.323 1.471 5.705 541 HE1 PHE 67 HE1 PHE 67 13.577 1.930 1.355 542 HE2 PHE 67 HE2 PHE 67 13.777 1.432 5.586 543 HZ PHE 67 HZ PHE 67 14.904 1.664 3.408 544 H ILE 68 H ILE 68 7.177 0.821 1.449 545 HA ILE 68 HA ILE 68 9.088 0.110 -0.639 546 HB ILE 68 HB ILE 68 8.065 -2.062 -0.150 547 HG12 ILE 68 HG12 ILE 68 7.013 -0.921 -2.785 548 HG13 ILE 68 HG13 ILE 68 8.631 -1.566 -2.517 549 HG21 ILE 68 HG21 ILE 68 5.970 -1.330 0.888 550 HG22 ILE 68 HG22 ILE 68 5.651 -2.505 -0.388 551 HG23 ILE 68 HG23 ILE 68 5.359 -0.789 -0.679 552 HD11 ILE 68 HD11 ILE 68 6.067 -3.137 -2.383 553 HD12 ILE 68 HD12 ILE 68 7.693 -3.778 -2.135 554 HD13 ILE 68 HD13 ILE 68 7.230 -3.131 -3.707 555 H ARG 69 H ARG 69 8.786 1.292 -2.509 556 HA ARG 69 HA ARG 69 6.206 2.439 -3.191 557 HB2 ARG 69 HB2 ARG 69 7.226 4.774 -3.566 558 HB3 ARG 69 HB3 ARG 69 6.824 4.322 -1.928 559 HG2 ARG 69 HG2 ARG 69 9.659 3.986 -2.907 560 HG3 ARG 69 HG3 ARG 69 9.069 5.581 -2.441 561 HD2 ARG 69 HD2 ARG 69 8.413 4.561 -0.200 562 HD3 ARG 69 HD3 ARG 69 9.293 3.108 -0.694 563 HE ARG 69 HE ARG 69 11.100 5.107 -1.039 564 HH11 ARG 69 HH11 ARG 69 9.192 4.219 1.711 565 HH12 ARG 69 HH12 ARG 69 10.418 4.717 2.818 566 HH21 ARG 69 HH21 ARG 69 12.607 5.743 0.421 567 HH22 ARG 69 HH22 ARG 69 12.304 5.544 2.110 568 H PHE 70 H PHE 70 5.932 2.952 -5.296 569 HA PHE 70 HA PHE 70 8.068 2.260 -7.241 570 HB2 PHE 70 HB2 PHE 70 5.040 1.948 -7.515 571 HB3 PHE 70 HB3 PHE 70 6.216 1.565 -8.768 572 HD1 PHE 70 HD2 PHE 70 4.753 0.466 -5.556 573 HD2 PHE 70 HD1 PHE 70 7.572 -0.468 -8.636 574 HE1 PHE 70 HE2 PHE 70 4.929 -1.834 -4.708 575 HE2 PHE 70 HE1 PHE 70 7.733 -2.761 -7.778 576 HZ PHE 70 HZ PHE 70 6.415 -3.448 -5.821 577 H HIS 71 H HIS 71 7.788 3.302 -9.358 578 HA HIS 71 HA HIS 71 6.013 5.585 -9.672 579 HB2 HIS 71 HB2 HIS 71 8.137 6.521 -8.607 580 HB3 HIS 71 HB3 HIS 71 9.023 5.989 -10.029 581 HD1 HIS 71 HD1 HIS 71 6.702 8.634 -8.804 582 HD2 HIS 71 HD2 HIS 71 8.600 7.574 -12.341 583 HE1 HIS 71 HE1 HIS 71 6.428 10.609 -10.321 584 HE2 HIS 71 HE2 HIS 71 7.412 9.872 -12.516 585 H TRP 72 H TRP 72 5.495 5.846 -11.872 586 HA TRP 72 HA TRP 72 5.911 3.505 -13.468 587 HB2 TRP 72 HB2 TRP 72 4.603 6.072 -14.449 588 HB3 TRP 72 HB3 TRP 72 4.342 4.437 -15.041 589 HD1 TRP 72 HD1 TRP 72 3.226 6.864 -12.329 590 HE1 TRP 72 HE1 TRP 72 1.249 5.853 -11.044 591 HE3 TRP 72 HE3 TRP 72 3.306 2.136 -14.287 592 HZ2 TRP 72 HZ2 TRP 72 -0.101 3.386 -10.860 593 HZ3 TRP 72 HZ3 TRP 72 1.633 0.513 -13.500 594 HH2 TRP 72 HH2 TRP 72 -0.037 1.120 -11.822 595 H LEU 73 H LEU 73 6.891 3.304 -15.514 596 HA LEU 73 HA LEU 73 9.087 5.122 -16.177 597 HB2 LEU 73 HB2 LEU 73 8.171 2.481 -17.367 598 HB3 LEU 73 HB3 LEU 73 9.564 3.389 -17.955 599 HG LEU 73 HG LEU 73 9.249 1.983 -15.273 600 HD11 LEU 73 HD11 LEU 73 11.188 0.691 -16.012 601 HD12 LEU 73 HD12 LEU 73 11.230 1.585 -17.534 602 HD13 LEU 73 HD13 LEU 73 9.851 0.548 -17.152 603 HD21 LEU 73 HD21 LEU 73 11.534 3.817 -16.107 604 HD22 LEU 73 HD22 LEU 73 11.512 2.784 -14.673 605 HD23 LEU 73 HD23 LEU 73 10.367 4.115 -14.813 606 H ASP 74 H ASP 74 5.896 4.248 -17.275 607 HA ASP 74 HA ASP 74 5.913 5.921 -19.655 608 HB2 ASP 74 HB2 ASP 74 3.469 5.323 -19.726 609 HB3 ASP 74 HB3 ASP 74 4.534 3.925 -19.673 610 H ASP 75 H ASP 75 6.006 6.699 -16.487 611 HA ASP 75 HA ASP 75 4.008 8.683 -16.144 612 HB2 ASP 75 HB2 ASP 75 5.356 7.459 -14.336 613 HB3 ASP 75 HB3 ASP 75 6.692 8.532 -14.708 614 H GLU 76 H GLU 76 3.909 10.491 -17.299 615 HA GLU 76 HA GLU 76 6.367 12.000 -18.031 616 HB2 GLU 76 HB2 GLU 76 5.177 10.818 -19.952 617 HB3 GLU 76 HB3 GLU 76 3.773 11.828 -19.626 618 HG2 GLU 76 HG2 GLU 76 5.384 13.835 -20.019 619 HG3 GLU 76 HG3 GLU 76 6.475 12.638 -20.721 620 H ASN 77 H ASN 77 3.698 12.075 -16.039 621 HA ASN 77 HA ASN 77 3.433 15.018 -16.118 622 HB2 ASN 77 HB2 ASN 77 1.610 13.984 -17.518 623 HB3 ASN 77 HB3 ASN 77 1.051 13.104 -16.102 624 HD21 ASN 77 HD21 ASN 77 -0.974 14.072 -16.056 625 HD22 ASN 77 HD22 ASN 77 -1.209 15.738 -15.676 626 H GLU 78 H GLU 78 2.868 16.001 -14.195 627 HA GLU 78 HA GLU 78 2.620 16.423 -11.994 628 HB2 GLU 78 HB2 GLU 78 1.300 13.691 -11.979 629 HB3 GLU 78 HB3 GLU 78 1.288 14.792 -10.603 630 HG2 GLU 78 HG2 GLU 78 0.146 16.494 -12.087 631 HG3 GLU 78 HG3 GLU 78 0.018 15.238 -13.319 632 H ARG 79 H ARG 79 2.911 15.280 -9.625 633 HA ARG 79 HA ARG 79 5.486 13.791 -9.631 634 HB2 ARG 79 HB2 ARG 79 4.511 15.805 -7.555 635 HB3 ARG 79 HB3 ARG 79 5.995 14.859 -7.438 636 HG2 ARG 79 HG2 ARG 79 6.869 16.014 -9.462 637 HG3 ARG 79 HG3 ARG 79 5.386 16.975 -9.532 638 HD2 ARG 79 HD2 ARG 79 5.911 17.869 -7.250 639 HD3 ARG 79 HD3 ARG 79 7.434 16.979 -7.285 640 HE ARG 79 HE ARG 79 7.834 18.393 -9.412 641 HH11 ARG 79 HH11 ARG 79 6.184 19.555 -6.601 642 HH12 ARG 79 HH12 ARG 79 6.692 21.185 -6.847 643 HH21 ARG 79 HH21 ARG 79 8.462 20.467 -9.714 644 HH22 ARG 79 HH22 ARG 79 7.982 21.700 -8.601 645 H ASP 80 H ASP 80 3.091 14.530 -7.072 646 HA ASP 80 HA ASP 80 2.182 13.326 -5.402 647 HB2 ASP 80 HB2 ASP 80 1.788 11.336 -7.674 648 HB3 ASP 80 HB3 ASP 80 1.036 11.161 -6.084 649 H TYR 81 H TYR 81 2.173 11.043 -4.209 650 HA TYR 81 HA TYR 81 4.504 9.404 -4.476 651 HB2 TYR 81 HB2 TYR 81 5.587 11.382 -3.435 652 HB3 TYR 81 HB3 TYR 81 4.466 11.305 -2.085 653 HD1 TYR 81 HD1 TYR 81 6.885 9.048 -3.883 654 HD2 TYR 81 HD2 TYR 81 5.305 10.292 -0.108 655 HE1 TYR 81 HE1 TYR 81 8.484 7.589 -2.732 656 HE2 TYR 81 HE2 TYR 81 6.908 8.827 1.043 657 HH TYR 81 HH TYR 81 8.278 6.881 0.606 658 H PHE 82 H PHE 82 3.673 7.502 -4.039 659 HA PHE 82 HA PHE 82 1.830 7.073 -1.758 660 HB2 PHE 82 HB2 PHE 82 0.563 6.967 -3.859 661 HB3 PHE 82 HB3 PHE 82 1.735 5.868 -4.566 662 HD1 PHE 82 HD1 PHE 82 -0.605 6.074 -1.622 663 HD2 PHE 82 HD2 PHE 82 1.211 3.567 -4.574 664 HE1 PHE 82 HE1 PHE 82 -1.976 4.181 -0.869 665 HE2 PHE 82 HE2 PHE 82 -0.163 1.681 -3.805 666 HZ PHE 82 HZ PHE 82 -1.760 1.985 -1.955 667 H GLU 83 H GLU 83 2.827 5.824 -0.281 668 HA GLU 83 HA GLU 83 4.357 3.451 -1.122 669 HB2 GLU 83 HB2 GLU 83 6.171 3.811 0.367 670 HB3 GLU 83 HB3 GLU 83 5.977 5.328 -0.497 671 HG2 GLU 83 HG2 GLU 83 5.053 6.418 1.390 672 HG3 GLU 83 HG3 GLU 83 4.769 4.903 2.242 673 H ILE 84 H ILE 84 4.580 1.843 0.574 674 HA ILE 84 HA ILE 84 2.458 1.916 2.636 675 HB ILE 84 HB ILE 84 3.145 -0.555 0.968 676 HG12 ILE 84 HG12 ILE 84 0.582 -0.271 0.313 677 HG13 ILE 84 HG13 ILE 84 0.829 1.408 0.757 678 HG21 ILE 84 HG21 ILE 84 2.544 -1.107 3.277 679 HG22 ILE 84 HG22 ILE 84 1.264 -1.612 2.177 680 HG23 ILE 84 HG23 ILE 84 1.064 -0.152 3.146 681 HD11 ILE 84 HD11 ILE 84 2.526 1.622 -0.967 682 HD12 ILE 84 HD12 ILE 84 1.010 1.023 -1.637 683 HD13 ILE 84 HD13 ILE 84 2.352 -0.087 -1.370 684 H LYS 85 H LYS 85 3.176 1.459 4.587 685 HA LYS 85 HA LYS 85 5.624 -0.122 5.089 686 HB2 LYS 85 HB2 LYS 85 6.189 2.209 5.417 687 HB3 LYS 85 HB3 LYS 85 4.709 2.527 6.305 688 HG2 LYS 85 HG2 LYS 85 5.522 1.389 8.255 689 HG3 LYS 85 HG3 LYS 85 6.882 0.693 7.366 690 HD2 LYS 85 HD2 LYS 85 7.839 2.958 7.060 691 HD3 LYS 85 HD3 LYS 85 6.485 3.658 7.953 692 HE2 LYS 85 HE2 LYS 85 8.389 1.614 9.148 693 HE3 LYS 85 HE3 LYS 85 8.639 3.357 9.265 694 HZ1 LYS 85 HZ1 LYS 85 7.559 2.519 11.217 695 HZ2 LYS 85 HZ2 LYS 85 6.300 1.859 10.303 696 HZ3 LYS 85 HZ3 LYS 85 6.496 3.534 10.385 697 H MET 86 H MET 86 5.575 -1.320 7.105 698 HA MET 86 HA MET 86 3.131 -1.265 8.730 699 HB2 MET 86 HB2 MET 86 3.211 -3.842 8.833 700 HB3 MET 86 HB3 MET 86 2.530 -3.135 7.378 701 HG2 MET 86 HG2 MET 86 4.669 -3.515 6.204 702 HG3 MET 86 HG3 MET 86 5.329 -4.244 7.668 703 HE1 MET 86 HE1 MET 86 1.808 -6.075 5.295 704 HE2 MET 86 HE2 MET 86 2.610 -4.577 4.823 705 HE3 MET 86 HE3 MET 86 1.634 -4.631 6.294 706 H SER 87 H SER 87 3.560 -1.366 10.825 707 HA SER 87 HA SER 87 6.330 -1.839 11.753 708 HB2 SER 87 HB2 SER 87 5.414 0.394 12.296 709 HB3 SER 87 HB3 SER 87 4.043 -0.349 13.117 710 HG SER 87 HG SER 87 6.543 0.133 14.038 711 H TYR 88 H TYR 88 6.748 -3.483 13.192 712 HA TYR 88 HA TYR 88 4.527 -5.323 13.829 713 HB2 TYR 88 HB2 TYR 88 6.408 -6.267 12.525 714 HB3 TYR 88 HB3 TYR 88 7.546 -5.791 13.784 715 HD1 TYR 88 HD1 TYR 88 4.479 -7.905 13.246 716 HD2 TYR 88 HD2 TYR 88 8.077 -7.376 15.504 717 HE1 TYR 88 HE1 TYR 88 4.116 -10.072 14.345 718 HE2 TYR 88 HE2 TYR 88 7.710 -9.543 16.596 719 HH TYR 88 HH TYR 88 5.428 -11.807 15.504 720 H ASN 89 H ASN 89 3.694 -5.026 15.841 721 HA ASN 89 HA ASN 89 5.231 -4.047 18.089 722 HB2 ASN 89 HB2 ASN 89 2.438 -5.276 17.974 723 HB3 ASN 89 HB3 ASN 89 3.159 -4.564 19.420 724 HD21 ASN 89 HD21 ASN 89 1.570 -3.930 16.442 725 HD22 ASN 89 HD22 ASN 89 1.453 -2.227 16.624 726 H GLU 90 H GLU 90 6.843 -5.352 18.757 727 HA GLU 90 HA GLU 90 7.160 -8.075 18.365 728 HB2 GLU 90 HB2 GLU 90 8.968 -6.424 18.895 729 HB3 GLU 90 HB3 GLU 90 8.412 -6.380 20.565 730 HG2 GLU 90 HG2 GLU 90 8.913 -8.856 20.699 731 HG3 GLU 90 HG3 GLU 90 9.649 -8.730 19.102 732 H LEU 91 H LEU 91 5.521 -6.467 21.019 733 HA LEU 91 HA LEU 91 5.712 -8.715 22.871 734 HB2 LEU 91 HB2 LEU 91 4.447 -5.968 23.160 735 HB3 LEU 91 HB3 LEU 91 4.606 -7.143 24.456 736 HG LEU 91 HG LEU 91 6.940 -5.829 22.993 737 HD11 LEU 91 HD11 LEU 91 5.771 -4.199 24.386 738 HD12 LEU 91 HD12 LEU 91 7.349 -4.585 25.065 739 HD13 LEU 91 HD13 LEU 91 5.891 -5.272 25.786 740 HD21 LEU 91 HD21 LEU 91 7.520 -8.081 23.780 741 HD22 LEU 91 HD22 LEU 91 6.973 -7.675 25.409 742 HD23 LEU 91 HD23 LEU 91 8.375 -6.854 24.714 743 H THR 92 H THR 92 3.500 -7.850 20.437 744 HA THR 92 HA THR 92 1.469 -9.647 21.592 745 HB THR 92 HB THR 92 0.526 -7.489 22.108 746 HG1 THR 92 HG1 THR 92 -0.877 -8.310 19.780 747 HG21 THR 92 HG21 THR 92 1.737 -6.048 20.517 748 HG22 THR 92 HG22 THR 92 -0.002 -5.774 20.392 749 HG23 THR 92 HG23 THR 92 0.828 -6.742 19.172 750 H GLY 93 H GLY 93 2.544 -8.011 18.621 751 HA2 GLY 93 HA2 GLY 93 3.122 -9.487 16.725 752 HA3 GLY 93 HA3 GLY 93 1.625 -10.353 17.025 753 H ASP 94 H ASP 94 0.412 -7.559 17.552 754 HA ASP 94 HA ASP 94 -0.983 -7.143 15.214 755 HB2 ASP 94 HB2 ASP 94 -0.305 -5.114 17.393 756 HB3 ASP 94 HB3 ASP 94 -1.527 -4.858 16.150 757 H TYR 95 H TYR 95 -0.784 -5.832 13.395 758 HA TYR 95 HA TYR 95 1.805 -4.450 12.974 759 HB2 TYR 95 HB2 TYR 95 -0.231 -5.608 11.040 760 HB3 TYR 95 HB3 TYR 95 0.921 -4.395 10.498 761 HD1 TYR 95 HD1 TYR 95 0.647 -7.872 11.846 762 HD2 TYR 95 HD2 TYR 95 3.238 -4.961 10.094 763 HE1 TYR 95 HE1 TYR 95 2.338 -9.614 11.439 764 HE2 TYR 95 HE2 TYR 95 4.921 -6.693 9.677 765 HH TYR 95 HH TYR 95 5.528 -8.967 10.672 766 H VAL 96 H VAL 96 1.870 -2.308 13.109 767 HA VAL 96 HA VAL 96 -0.482 -0.601 12.804 768 HB VAL 96 HB VAL 96 2.437 0.204 13.265 769 HG11 VAL 96 HG11 VAL 96 1.512 2.389 13.982 770 HG12 VAL 96 HG12 VAL 96 -0.115 1.842 13.576 771 HG13 VAL 96 HG13 VAL 96 1.092 2.038 12.303 772 HG21 VAL 96 HG21 VAL 96 1.829 0.510 15.645 773 HG22 VAL 96 HG22 VAL 96 1.622 -1.171 15.146 774 HG23 VAL 96 HG23 VAL 96 0.211 -0.122 15.321 775 H LEU 97 H LEU 97 -1.094 -0.448 10.724 776 HA LEU 97 HA LEU 97 0.801 -0.823 8.528 777 HB2 LEU 97 HB2 LEU 97 -1.277 -2.214 8.846 778 HB3 LEU 97 HB3 LEU 97 -2.247 -0.778 8.580 779 HG LEU 97 HG LEU 97 -1.402 -0.627 6.263 780 HD11 LEU 97 HD11 LEU 97 0.824 -1.620 6.580 781 HD12 LEU 97 HD12 LEU 97 -0.052 -2.421 5.278 782 HD13 LEU 97 HD13 LEU 97 0.089 -3.203 6.854 783 HD21 LEU 97 HD21 LEU 97 -2.574 -2.638 5.381 784 HD22 LEU 97 HD22 LEU 97 -3.476 -1.836 6.666 785 HD23 LEU 97 HD23 LEU 97 -2.588 -3.324 7.013 786 H GLU 98 H GLU 98 1.645 0.975 7.726 787 HA GLU 98 HA GLU 98 0.247 3.590 7.952 788 HB2 GLU 98 HB2 GLU 98 3.232 2.930 7.936 789 HB3 GLU 98 HB3 GLU 98 2.535 4.531 8.178 790 HG2 GLU 98 HG2 GLU 98 1.687 3.963 10.324 791 HG3 GLU 98 HG3 GLU 98 1.921 2.235 10.060 792 H ILE 99 H ILE 99 -0.594 3.917 5.892 793 HA ILE 99 HA ILE 99 1.136 3.589 3.518 794 HB ILE 99 HB ILE 99 -1.880 4.043 3.790 795 HG12 ILE 99 HG12 ILE 99 -1.981 1.857 2.432 796 HG13 ILE 99 HG13 ILE 99 -0.253 1.699 2.700 797 HG21 ILE 99 HG21 ILE 99 -2.025 3.961 1.306 798 HG22 ILE 99 HG22 ILE 99 -0.264 4.039 1.221 799 HG23 ILE 99 HG23 ILE 99 -1.175 5.392 1.898 800 HD11 ILE 99 HD11 ILE 99 -0.634 1.500 5.087 801 HD12 ILE 99 HD12 ILE 99 -1.574 0.306 4.190 802 HD13 ILE 99 HD13 ILE 99 -2.367 1.740 4.847 803 H THR 100 H THR 100 2.346 5.387 3.032 804 HA THR 100 HA THR 100 1.371 8.080 3.775 805 HB THR 100 HB THR 100 4.111 7.170 2.811 806 HG1 THR 100 HG1 THR 100 3.215 6.774 5.079 807 HG21 THR 100 HG21 THR 100 3.729 9.485 2.063 808 HG22 THR 100 HG22 THR 100 4.915 9.439 3.369 809 HG23 THR 100 HG23 THR 100 3.258 9.946 3.702 810 H ASP 101 H ASP 101 -0.031 8.746 2.285 811 HA ASP 101 HA ASP 101 0.588 8.581 -0.606 812 HB2 ASP 101 HB2 ASP 101 -1.357 7.207 0.056 813 HB3 ASP 101 HB3 ASP 101 -2.100 8.592 0.854 814 H PHE 102 H PHE 102 -0.131 10.417 -1.888 815 HA PHE 102 HA PHE 102 -0.453 12.990 -0.434 816 HB2 PHE 102 HB2 PHE 102 1.113 12.339 -2.958 817 HB3 PHE 102 HB3 PHE 102 0.533 13.974 -2.674 818 HD1 PHE 102 HD2 PHE 102 2.266 11.351 -0.577 819 HD2 PHE 102 HD1 PHE 102 2.232 15.404 -1.937 820 HE1 PHE 102 HE2 PHE 102 4.276 11.817 0.752 821 HE2 PHE 102 HE1 PHE 102 4.247 15.858 -0.604 822 HZ PHE 102 HZ PHE 102 5.268 14.070 0.743 823 H SER 103 H SER 103 -2.408 13.822 -0.682 824 HA SER 103 HA SER 103 -3.745 13.869 -3.279 825 HB2 SER 103 HB2 SER 103 -5.004 12.566 -0.832 826 HB3 SER 103 HB3 SER 103 -5.966 13.144 -2.191 827 HG SER 103 HG SER 103 -3.926 11.166 -2.259 828 H GLU 104 H GLU 104 -4.843 15.664 -3.633 829 HA GLU 104 HA GLU 104 -4.858 17.953 -1.966 830 HB2 GLU 104 HB2 GLU 104 -6.488 18.833 -3.694 831 HB3 GLU 104 HB3 GLU 104 -5.005 18.155 -4.372 832 HG2 GLU 104 HG2 GLU 104 -6.196 16.054 -4.897 833 HG3 GLU 104 HG3 GLU 104 -7.689 16.739 -4.247 834 H ALA 105 H ALA 105 -6.653 18.999 -0.900 835 HA ALA 105 HA ALA 105 -8.005 17.563 0.993 836 HB1 ALA 105 HB1 ALA 105 -8.900 20.240 -0.113 837 HB2 ALA 105 HB2 ALA 105 -7.647 20.002 1.106 838 HB3 ALA 105 HB3 ALA 105 -9.322 19.580 1.469 839 H ASP 106 H ASP 106 -9.331 18.471 -2.176 840 HA ASP 106 HA ASP 106 -12.019 17.729 -1.831 841 HB2 ASP 106 HB2 ASP 106 -10.305 17.748 -4.348 842 HB3 ASP 106 HB3 ASP 106 -12.065 17.598 -4.343 843 H GLU 107 H GLU 107 -9.224 15.741 -2.620 844 HA GLU 107 HA GLU 107 -10.903 13.349 -3.131 845 HB2 GLU 107 HB2 GLU 107 -7.963 13.867 -3.788 846 HB3 GLU 107 HB3 GLU 107 -8.864 12.407 -4.209 847 HG2 GLU 107 HG2 GLU 107 -9.417 15.215 -5.239 848 HG3 GLU 107 HG3 GLU 107 -8.640 13.920 -6.144 849 H ALA 108 H ALA 108 -8.573 14.679 -0.940 850 HA ALA 108 HA ALA 108 -7.664 12.230 0.268 851 HB1 ALA 108 HB1 ALA 108 -6.518 13.679 1.888 852 HB2 ALA 108 HB2 ALA 108 -7.386 15.085 1.262 853 HB3 ALA 108 HB3 ALA 108 -6.233 14.232 0.235 854 H ASP 109 H ASP 109 -10.247 14.511 0.861 855 HA ASP 109 HA ASP 109 -11.037 13.802 3.468 856 HB2 ASP 109 HB2 ASP 109 -11.804 15.795 2.103 857 HB3 ASP 109 HB3 ASP 109 -12.824 14.702 1.169 858 H ASP 110 H ASP 110 -11.686 12.301 0.345 859 HA ASP 110 HA ASP 110 -13.539 10.285 1.150 860 HB2 ASP 110 HB2 ASP 110 -11.537 10.254 -1.154 861 HB3 ASP 110 HB3 ASP 110 -12.925 9.177 -0.979 862 H LEU 111 H LEU 111 -9.989 10.362 0.874 863 HA LEU 111 HA LEU 111 -9.388 7.713 1.669 864 HB2 LEU 111 HB2 LEU 111 -7.843 10.303 1.646 865 HB3 LEU 111 HB3 LEU 111 -7.149 8.937 2.484 866 HG LEU 111 HG LEU 111 -6.201 9.135 0.246 867 HD11 LEU 111 HD11 LEU 111 -7.989 6.693 0.440 868 HD12 LEU 111 HD12 LEU 111 -6.399 6.890 1.183 869 HD13 LEU 111 HD13 LEU 111 -6.549 6.856 -0.572 870 HD21 LEU 111 HD21 LEU 111 -9.012 8.793 -0.843 871 HD22 LEU 111 HD22 LEU 111 -7.523 8.827 -1.794 872 HD23 LEU 111 HD23 LEU 111 -8.032 10.261 -0.906 873 H LYS 112 H LYS 112 -9.968 10.631 3.596 874 HA LYS 112 HA LYS 112 -9.235 9.667 6.152 875 HB2 LYS 112 HB2 LYS 112 -11.373 11.727 5.469 876 HB3 LYS 112 HB3 LYS 112 -10.642 11.499 7.057 877 HG2 LYS 112 HG2 LYS 112 -9.153 12.382 4.564 878 HG3 LYS 112 HG3 LYS 112 -9.750 13.462 5.824 879 HD2 LYS 112 HD2 LYS 112 -8.244 12.430 7.466 880 HD3 LYS 112 HD3 LYS 112 -7.690 11.256 6.266 881 HE2 LYS 112 HE2 LYS 112 -6.629 13.000 4.957 882 HE3 LYS 112 HE3 LYS 112 -7.349 14.264 5.961 883 HZ1 LYS 112 HZ1 LYS 112 -6.036 13.485 7.820 884 HZ2 LYS 112 HZ2 LYS 112 -5.045 13.883 6.512 885 HZ3 LYS 112 HZ3 LYS 112 -5.362 12.265 6.865 886 H GLU 113 H GLU 113 -12.431 9.636 4.506 887 HA GLU 113 HA GLU 113 -13.799 8.236 6.618 888 HB2 GLU 113 HB2 GLU 113 -14.539 8.742 3.713 889 HB3 GLU 113 HB3 GLU 113 -15.598 7.889 4.838 890 HG2 GLU 113 HG2 GLU 113 -15.569 9.921 6.310 891 HG3 GLU 113 HG3 GLU 113 -14.653 10.765 5.056 892 H LEU 114 H LEU 114 -12.192 7.223 3.624 893 HA LEU 114 HA LEU 114 -12.814 4.463 3.648 894 HB2 LEU 114 HB2 LEU 114 -11.783 5.608 1.715 895 HB3 LEU 114 HB3 LEU 114 -10.319 5.891 2.640 896 HG LEU 114 HG LEU 114 -9.894 3.429 2.711 897 HD11 LEU 114 HD11 LEU 114 -12.175 2.578 2.569 898 HD12 LEU 114 HD12 LEU 114 -11.186 1.893 1.282 899 HD13 LEU 114 HD13 LEU 114 -12.331 3.188 0.919 900 HD21 LEU 114 HD21 LEU 114 -8.856 4.789 0.950 901 HD22 LEU 114 HD22 LEU 114 -10.253 4.525 -0.098 902 HD23 LEU 114 HD23 LEU 114 -9.224 3.166 0.362 903 H TRP 115 H TRP 115 -10.231 6.305 5.205 904 HA TRP 115 HA TRP 115 -8.724 4.295 6.425 905 HB2 TRP 115 HB2 TRP 115 -7.862 6.536 6.398 906 HB3 TRP 115 HB3 TRP 115 -9.296 7.186 7.172 907 HD1 TRP 115 HD1 TRP 115 -6.130 5.132 8.058 908 HE1 TRP 115 HE1 TRP 115 -5.657 5.457 10.563 909 HE3 TRP 115 HE3 TRP 115 -10.287 7.809 9.365 910 HZ2 TRP 115 HZ2 TRP 115 -6.869 6.640 12.806 911 HZ3 TRP 115 HZ3 TRP 115 -10.564 8.492 11.713 912 HH2 TRP 115 HH2 TRP 115 -8.889 7.919 13.399 913 H ASP 116 H ASP 116 -11.417 6.198 7.860 914 HA ASP 116 HA ASP 116 -11.519 4.774 10.311 915 HB2 ASP 116 HB2 ASP 116 -12.390 7.109 9.967 916 HB3 ASP 116 HB3 ASP 116 -13.731 6.442 9.035 917 H SER 117 H SER 117 -13.196 4.308 7.233 918 HA SER 117 HA SER 117 -15.078 2.338 7.957 919 HB2 SER 117 HB2 SER 117 -13.581 2.751 5.339 920 HB3 SER 117 HB3 SER 117 -14.889 1.580 5.532 921 HG SER 117 HG SER 117 -15.236 4.316 6.185 922 H GLN 118 H GLN 118 -11.715 1.926 6.746 923 HA GLN 118 HA GLN 118 -11.691 -0.917 6.870 924 HB2 GLN 118 HB2 GLN 118 -9.334 1.010 6.875 925 HB3 GLN 118 HB3 GLN 118 -9.219 -0.726 6.602 926 HG2 GLN 118 HG2 GLN 118 -10.561 1.316 4.811 927 HG3 GLN 118 HG3 GLN 118 -9.069 0.442 4.487 928 HE21 GLN 118 HE21 GLN 118 -9.221 -1.829 4.044 929 HE22 GLN 118 HE22 GLN 118 -10.688 -2.512 3.445 930 H VAL 119 H VAL 119 -10.702 1.559 9.225 931 HA VAL 119 HA VAL 119 -9.555 -0.186 11.170 932 HB VAL 119 HB VAL 119 -10.852 2.554 11.568 933 HG11 VAL 119 HG11 VAL 119 -10.782 1.334 13.712 934 HG12 VAL 119 HG12 VAL 119 -9.608 2.651 13.725 935 HG13 VAL 119 HG13 VAL 119 -9.066 0.989 13.481 936 HG21 VAL 119 HG21 VAL 119 -8.899 2.634 10.052 937 HG22 VAL 119 HG22 VAL 119 -7.912 1.808 11.258 938 HG23 VAL 119 HG23 VAL 119 -8.531 3.429 11.584 939 H SER 120 H SER 120 -12.862 1.147 10.801 940 HA SER 120 HA SER 120 -14.129 -0.108 12.982 941 HB2 SER 120 HB2 SER 120 -15.303 0.722 10.299 942 HB3 SER 120 HB3 SER 120 -16.271 0.220 11.688 943 HG SER 120 HG SER 120 -14.409 2.359 11.789 944 H LYS 121 H LYS 121 -13.467 -1.291 9.718 945 HA LYS 121 HA LYS 121 -14.960 -3.717 9.858 946 HB2 LYS 121 HB2 LYS 121 -12.635 -2.874 8.085 947 HB3 LYS 121 HB3 LYS 121 -13.480 -4.412 7.895 948 HG2 LYS 121 HG2 LYS 121 -15.549 -3.305 7.359 949 HG3 LYS 121 HG3 LYS 121 -14.880 -1.728 7.786 950 HD2 LYS 121 HD2 LYS 121 -13.263 -1.947 5.885 951 HD3 LYS 121 HD3 LYS 121 -14.051 -3.464 5.426 952 HE2 LYS 121 HE2 LYS 121 -16.170 -2.257 5.044 953 HE3 LYS 121 HE3 LYS 121 -15.414 -0.742 5.553 954 HZ1 LYS 121 HZ1 LYS 121 -14.667 -2.370 3.188 955 HZ2 LYS 121 HZ2 LYS 121 -13.880 -0.960 3.687 956 HZ3 LYS 121 HZ3 LYS 121 -15.488 -0.890 3.176 957 H LEU 122 H LEU 122 -11.529 -2.967 10.549 958 HA LEU 122 HA LEU 122 -10.652 -5.576 11.223 959 HB2 LEU 122 HB2 LEU 122 -9.660 -2.875 12.205 960 HB3 LEU 122 HB3 LEU 122 -8.801 -4.393 12.449 961 HG LEU 122 HG LEU 122 -9.428 -3.200 9.718 962 HD11 LEU 122 HD11 LEU 122 -6.810 -3.134 11.242 963 HD12 LEU 122 HD12 LEU 122 -7.866 -1.758 10.907 964 HD13 LEU 122 HD13 LEU 122 -7.062 -2.590 9.579 965 HD21 LEU 122 HD21 LEU 122 -7.653 -5.549 10.472 966 HD22 LEU 122 HD22 LEU 122 -7.857 -4.885 8.847 967 HD23 LEU 122 HD23 LEU 122 -9.222 -5.645 9.664 968 H ARG 123 H ARG 123 -12.263 -3.083 13.134 969 HA ARG 123 HA ARG 123 -12.112 -4.267 15.706 970 HB2 ARG 123 HB2 ARG 123 -14.184 -2.386 14.499 971 HB3 ARG 123 HB3 ARG 123 -14.113 -2.792 16.213 972 HG2 ARG 123 HG2 ARG 123 -11.963 -1.695 16.445 973 HG3 ARG 123 HG3 ARG 123 -11.850 -1.450 14.700 974 HD2 ARG 123 HD2 ARG 123 -12.490 0.635 15.798 975 HD3 ARG 123 HD3 ARG 123 -13.814 0.053 14.785 976 HE ARG 123 HE ARG 123 -14.176 -0.864 17.440 977 HH11 ARG 123 HH11 ARG 123 -14.405 2.069 15.603 978 HH12 ARG 123 HH12 ARG 123 -15.570 2.760 16.671 979 HH21 ARG 123 HH21 ARG 123 -15.635 0.068 18.793 980 HH22 ARG 123 HH22 ARG 123 -16.247 1.651 18.459 981 H ARG 124 H ARG 124 -14.780 -4.335 13.287 982 HA ARG 124 HA ARG 124 -16.435 -6.035 14.913 983 HB2 ARG 124 HB2 ARG 124 -18.041 -5.954 13.062 984 HB3 ARG 124 HB3 ARG 124 -17.420 -4.353 13.441 985 HG2 ARG 124 HG2 ARG 124 -15.868 -4.541 11.476 986 HG3 ARG 124 HG3 ARG 124 -16.630 -6.081 11.067 987 HD2 ARG 124 HD2 ARG 124 -18.021 -3.378 11.190 988 HD3 ARG 124 HD3 ARG 124 -17.542 -4.226 9.716 989 HE ARG 124 HE ARG 124 -19.152 -6.034 10.937 990 HH11 ARG 124 HH11 ARG 124 -19.665 -2.687 10.181 991 HH12 ARG 124 HH12 ARG 124 -21.365 -2.890 9.974 992 HH21 ARG 124 HH21 ARG 124 -21.329 -6.242 10.683 993 HH22 ARG 124 HH22 ARG 124 -22.295 -4.873 10.256 994 H THR 125 H THR 125 -14.137 -6.704 12.306 995 HA THR 125 HA THR 125 -15.058 -9.457 11.971 996 HB THR 125 HB THR 125 -14.063 -8.128 10.019 997 HG1 THR 125 HG1 THR 125 -14.212 -10.274 9.640 998 HG21 THR 125 HG21 THR 125 -12.059 -7.187 11.168 999 HG22 THR 125 HG22 THR 125 -11.623 -8.116 9.734 1000 HG23 THR 125 HG23 THR 125 -11.402 -8.818 11.337 1001 H CYS 126 H CYS 126 -12.839 -7.748 13.953 1002 HA CYS 126 HA CYS 126 -11.577 -8.290 15.730 1003 HB2 CYS 126 HB2 CYS 126 -12.362 -11.194 15.310 1004 HB3 CYS 126 HB3 CYS 126 -11.617 -10.521 16.761 1005 HG CYS 126 HG CYS 126 -14.138 -8.672 16.496 1006 H GLY 127 H GLY 127 -10.961 -9.927 12.724 1007 HA2 GLY 127 HA2 GLY 127 -8.081 -9.697 13.073 1008 HA3 GLY 127 HA3 GLY 127 -8.679 -11.346 12.944 1009 H PHE 128 H PHE 128 -9.121 -12.168 10.952 1010 HA PHE 128 HA PHE 128 -8.176 -10.726 8.627 1011 HB2 PHE 128 HB2 PHE 128 -9.402 -13.510 8.792 1012 HB3 PHE 128 HB3 PHE 128 -8.514 -12.848 7.423 1013 HD1 PHE 128 HD1 PHE 128 -6.023 -12.327 7.709 1014 HD2 PHE 128 HD2 PHE 128 -8.235 -14.570 10.606 1015 HE1 PHE 128 HE1 PHE 128 -3.922 -13.208 8.640 1016 HE2 PHE 128 HE2 PHE 128 -6.131 -15.450 11.524 1017 HZ PHE 128 HZ PHE 128 -3.975 -14.771 10.546 1018 H LEU 129 H LEU 129 -9.432 -9.437 7.402 1019 HA LEU 129 HA LEU 129 -12.289 -9.345 7.516 1020 HB2 LEU 129 HB2 LEU 129 -10.726 -7.400 7.005 1021 HB3 LEU 129 HB3 LEU 129 -10.468 -8.097 5.416 1022 HG LEU 129 HG LEU 129 -12.914 -7.800 4.921 1023 HD11 LEU 129 HD11 LEU 129 -13.801 -7.878 7.203 1024 HD12 LEU 129 HD12 LEU 129 -14.316 -6.409 6.379 1025 HD13 LEU 129 HD13 LEU 129 -13.022 -6.338 7.578 1026 HD21 LEU 129 HD21 LEU 129 -11.315 -6.098 4.175 1027 HD22 LEU 129 HD22 LEU 129 -11.480 -5.243 5.712 1028 HD23 LEU 129 HD23 LEU 129 -12.857 -5.361 4.613 1029 H GLU 130 H GLU 130 -13.634 -9.440 5.410 1030 HA GLU 130 HA GLU 130 -14.125 -11.994 4.667 1031 HB2 GLU 130 HB2 GLU 130 -15.679 -10.096 4.320 1032 HB3 GLU 130 HB3 GLU 130 -14.671 -9.501 3.003 1033 HG2 GLU 130 HG2 GLU 130 -15.140 -11.699 1.799 1034 HG3 GLU 130 HG3 GLU 130 -16.335 -12.039 3.053 1035 H HIS 131 H HIS 131 -13.092 -13.503 3.512 1036 HA HIS 131 HA HIS 131 -11.393 -12.896 1.179 1037 HB2 HIS 131 HB2 HIS 131 -12.157 -15.545 2.513 1038 HB3 HIS 131 HB3 HIS 131 -11.127 -15.422 1.092 1039 HD1 HIS 131 HD1 HIS 131 -9.084 -16.422 2.195 1040 HD2 HIS 131 HD2 HIS 131 -10.528 -13.096 4.226 1041 HE1 HIS 131 HE1 HIS 131 -7.346 -15.890 3.927 1042 HE2 HIS 131 HE2 HIS 131 -8.143 -13.752 4.980 1043 H HIS 132 H HIS 132 -11.960 -13.558 -0.959 1044 HA HIS 132 HA HIS 132 -13.308 -13.641 -2.789 1045 HB2 HIS 132 HB2 HIS 132 -15.223 -15.223 -1.020 1046 HB3 HIS 132 HB3 HIS 132 -15.308 -15.120 -2.773 1047 HD1 HIS 132 HD1 HIS 132 -13.879 -17.127 -0.092 1048 HD2 HIS 132 HD2 HIS 132 -13.013 -16.397 -4.093 1049 HE1 HIS 132 HE1 HIS 132 -12.339 -18.980 -0.792 1050 HE2 HIS 132 HE2 HIS 132 -11.738 -18.456 -3.176 1051 H HIS 133 H HIS 133 -15.329 -12.765 -3.766 1052 HA HIS 133 HA HIS 133 -16.992 -11.284 -4.080 1053 HB2 HIS 133 HB2 HIS 133 -18.298 -12.259 -2.328 1054 HB3 HIS 133 HB3 HIS 133 -17.328 -11.502 -1.073 1055 HD1 HIS 133 HD1 HIS 133 -18.413 -9.560 -0.025 1056 HD2 HIS 133 HD2 HIS 133 -19.780 -10.116 -3.905 1057 HE1 HIS 133 HE1 HIS 133 -20.163 -7.814 -0.360 1058 HE2 HIS 133 HE2 HIS 133 -20.831 -8.038 -2.768 1059 H HIS 134 H HIS 134 -15.028 -10.129 -1.286 1060 HA HIS 134 HA HIS 134 -15.052 -7.371 -1.904 1061 HB2 HIS 134 HB2 HIS 134 -14.534 -8.301 0.340 1062 HB3 HIS 134 HB3 HIS 134 -13.074 -9.052 -0.279 1063 HD1 HIS 134 HD1 HIS 134 -11.024 -7.519 -0.664 1064 HD2 HIS 134 HD2 HIS 134 -14.308 -5.552 0.938 1065 HE1 HIS 134 HE1 HIS 134 -10.145 -5.330 0.172 1066 HE2 HIS 134 HE2 HIS 134 -12.128 -4.176 1.187 1067 H HIS 135 H HIS 135 -14.673 -7.775 -4.322 1068 HA HIS 135 HA HIS 135 -11.973 -6.992 -5.058 1069 HB2 HIS 135 HB2 HIS 135 -13.168 -9.578 -6.164 1070 HB3 HIS 135 HB3 HIS 135 -11.833 -8.731 -6.938 1071 HD1 HIS 135 HD1 HIS 135 -12.586 -11.166 -4.305 1072 HD2 HIS 135 HD2 HIS 135 -9.408 -8.690 -5.308 1073 HE1 HIS 135 HE1 HIS 135 -10.646 -11.999 -2.955 1074 HE2 HIS 135 HE2 HIS 135 -8.699 -10.633 -3.764 1075 H HIS 136 H HIS 136 -12.634 -5.102 -6.006 1076 HA HIS 136 HA HIS 136 -14.562 -5.238 -8.271 1077 HB2 HIS 136 HB2 HIS 136 -14.411 -3.022 -6.177 1078 HB3 HIS 136 HB3 HIS 136 -15.450 -3.007 -7.600 1079 HD1 HIS 136 HD1 HIS 136 -15.719 -3.582 -4.148 1080 HD2 HIS 136 HD2 HIS 136 -17.168 -5.591 -7.478 1081 HE1 HIS 136 HE1 HIS 136 -17.639 -4.963 -3.312 1082 HE2 HIS 136 HE2 HIS 136 -18.640 -5.962 -5.384 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -1.834 22.851 -2.314 2 H2 MET 1 H2 MET 1 -1.733 24.540 -2.324 3 H3 MET 1 H3 MET 1 -0.935 23.640 -3.509 4 HA MET 1 HA MET 1 -3.863 23.847 -3.140 5 HB2 MET 1 HB2 MET 1 -2.033 24.973 -5.293 6 HB3 MET 1 HB3 MET 1 -3.792 24.993 -5.393 7 HG2 MET 1 HG2 MET 1 -2.103 26.414 -3.314 8 HG3 MET 1 HG3 MET 1 -2.953 27.159 -4.670 9 HE1 MET 1 HE1 MET 1 -5.628 27.273 -4.862 10 HE2 MET 1 HE2 MET 1 -6.725 26.638 -3.635 11 HE3 MET 1 HE3 MET 1 -5.783 25.530 -4.632 12 H LYS 2 H LYS 2 -1.188 22.272 -4.842 13 HA LYS 2 HA LYS 2 -3.068 20.549 -6.347 14 HB2 LYS 2 HB2 LYS 2 -0.046 20.677 -6.718 15 HB3 LYS 2 HB3 LYS 2 -1.218 19.898 -7.769 16 HG2 LYS 2 HG2 LYS 2 -0.715 21.815 -8.964 17 HG3 LYS 2 HG3 LYS 2 -2.170 22.319 -8.102 18 HD2 LYS 2 HD2 LYS 2 -0.841 23.546 -6.466 19 HD3 LYS 2 HD3 LYS 2 0.661 22.904 -7.140 20 HE2 LYS 2 HE2 LYS 2 -1.265 24.778 -8.555 21 HE3 LYS 2 HE3 LYS 2 0.293 25.220 -7.853 22 HZ1 LYS 2 HZ1 LYS 2 0.482 24.911 -10.225 23 HZ2 LYS 2 HZ2 LYS 2 -0.127 23.342 -10.115 24 HZ3 LYS 2 HZ3 LYS 2 1.371 23.714 -9.431 25 H LYS 3 H LYS 3 -3.692 18.992 -4.919 26 HA LYS 3 HA LYS 3 -3.690 17.027 -3.839 27 HB2 LYS 3 HB2 LYS 3 -0.848 16.809 -4.854 28 HB3 LYS 3 HB3 LYS 3 -1.641 15.518 -3.966 29 HG2 LYS 3 HG2 LYS 3 -3.002 16.595 -6.440 30 HG3 LYS 3 HG3 LYS 3 -1.587 15.540 -6.631 31 HD2 LYS 3 HD2 LYS 3 -2.854 13.912 -5.048 32 HD3 LYS 3 HD3 LYS 3 -4.274 14.923 -5.362 33 HE2 LYS 3 HE2 LYS 3 -4.034 14.455 -7.788 34 HE3 LYS 3 HE3 LYS 3 -2.650 13.409 -7.446 35 HZ1 LYS 3 HZ1 LYS 3 -4.132 12.012 -6.093 36 HZ2 LYS 3 HZ2 LYS 3 -4.655 12.118 -7.702 37 HZ3 LYS 3 HZ3 LYS 3 -5.445 13.009 -6.496 38 H GLU 4 H GLU 4 -3.521 16.311 -1.798 39 HA GLU 4 HA GLU 4 -1.562 17.538 0.065 40 HB2 GLU 4 HB2 GLU 4 -3.935 17.923 0.683 41 HB3 GLU 4 HB3 GLU 4 -4.258 16.194 0.612 42 HG2 GLU 4 HG2 GLU 4 -2.507 15.947 2.487 43 HG3 GLU 4 HG3 GLU 4 -2.589 17.701 2.647 44 H LYS 5 H LYS 5 0.096 16.156 0.698 45 HA LYS 5 HA LYS 5 0.010 13.321 0.229 46 HB2 LYS 5 HB2 LYS 5 2.164 14.612 0.292 47 HB3 LYS 5 HB3 LYS 5 1.939 14.861 2.023 48 HG2 LYS 5 HG2 LYS 5 1.856 12.275 2.209 49 HG3 LYS 5 HG3 LYS 5 2.464 12.256 0.553 50 HD2 LYS 5 HD2 LYS 5 4.295 11.978 2.149 51 HD3 LYS 5 HD3 LYS 5 4.475 13.509 1.286 52 HE2 LYS 5 HE2 LYS 5 3.637 14.745 3.215 53 HE3 LYS 5 HE3 LYS 5 3.249 13.245 4.060 54 HZ1 LYS 5 HZ1 LYS 5 5.300 14.222 4.851 55 HZ2 LYS 5 HZ2 LYS 5 5.976 14.134 3.304 56 HZ3 LYS 5 HZ3 LYS 5 5.586 12.717 4.140 57 H ILE 6 H ILE 6 -0.678 11.750 1.590 58 HA ILE 6 HA ILE 6 -1.603 12.390 4.319 59 HB ILE 6 HB ILE 6 -3.756 11.223 3.943 60 HG12 ILE 6 HG12 ILE 6 -2.856 10.966 1.031 61 HG13 ILE 6 HG13 ILE 6 -3.166 9.652 2.170 62 HG21 ILE 6 HG21 ILE 6 -3.328 13.455 1.919 63 HG22 ILE 6 HG22 ILE 6 -3.684 13.668 3.634 64 HG23 ILE 6 HG23 ILE 6 -4.888 12.938 2.572 65 HD11 ILE 6 HD11 ILE 6 -5.552 10.230 2.169 66 HD12 ILE 6 HD12 ILE 6 -4.954 9.842 0.556 67 HD13 ILE 6 HD13 ILE 6 -5.235 11.522 1.006 68 H HIS 7 H HIS 7 -0.655 10.963 5.703 69 HA HIS 7 HA HIS 7 -0.012 8.231 4.772 70 HB2 HIS 7 HB2 HIS 7 1.464 8.101 6.782 71 HB3 HIS 7 HB3 HIS 7 1.907 9.374 5.661 72 HD1 HIS 7 HD1 HIS 7 0.444 8.840 9.082 73 HD2 HIS 7 HD2 HIS 7 1.929 11.937 6.745 74 HE1 HIS 7 HE1 HIS 7 0.716 10.781 10.641 75 HE2 HIS 7 HE2 HIS 7 1.412 12.688 9.167 76 H LEU 8 H LEU 8 -1.515 6.760 5.144 77 HA LEU 8 HA LEU 8 -3.537 7.152 7.244 78 HB2 LEU 8 HB2 LEU 8 -3.640 5.212 4.900 79 HB3 LEU 8 HB3 LEU 8 -4.946 5.582 6.009 80 HG LEU 8 HG LEU 8 -5.502 6.697 4.029 81 HD11 LEU 8 HD11 LEU 8 -5.870 8.124 5.932 82 HD12 LEU 8 HD12 LEU 8 -5.459 9.087 4.515 83 HD13 LEU 8 HD13 LEU 8 -4.250 8.814 5.773 84 HD21 LEU 8 HD21 LEU 8 -2.692 7.787 3.797 85 HD22 LEU 8 HD22 LEU 8 -4.031 8.096 2.688 86 HD23 LEU 8 HD23 LEU 8 -3.386 6.467 2.851 87 H GLU 9 H GLU 9 -3.530 5.829 9.008 88 HA GLU 9 HA GLU 9 -1.811 3.404 9.029 89 HB2 GLU 9 HB2 GLU 9 -1.169 5.255 10.569 90 HB3 GLU 9 HB3 GLU 9 -2.746 5.166 11.347 91 HG2 GLU 9 HG2 GLU 9 -2.216 2.847 12.089 92 HG3 GLU 9 HG3 GLU 9 -0.625 2.992 11.341 93 H TYR 10 H TYR 10 -2.613 1.469 9.736 94 HA TYR 10 HA TYR 10 -5.458 1.179 10.496 95 HB2 TYR 10 HB2 TYR 10 -4.033 -0.777 8.622 96 HB3 TYR 10 HB3 TYR 10 -5.756 -0.645 8.939 97 HD1 TYR 10 HD1 TYR 10 -7.084 1.211 7.863 98 HD2 TYR 10 HD2 TYR 10 -2.961 0.584 6.923 99 HE1 TYR 10 HE1 TYR 10 -7.320 2.589 5.845 100 HE2 TYR 10 HE2 TYR 10 -3.203 1.965 4.909 101 HH TYR 10 HH TYR 10 -5.887 3.938 4.347 102 H LEU 11 H LEU 11 -5.838 -0.586 11.937 103 HA LEU 11 HA LEU 11 -3.503 -2.163 12.822 104 HB2 LEU 11 HB2 LEU 11 -4.827 -2.832 14.749 105 HB3 LEU 11 HB3 LEU 11 -4.790 -1.092 14.598 106 HG LEU 11 HG LEU 11 -7.186 -1.576 13.376 107 HD11 LEU 11 HD11 LEU 11 -8.452 -3.278 14.610 108 HD12 LEU 11 HD12 LEU 11 -6.981 -3.789 15.443 109 HD13 LEU 11 HD13 LEU 11 -7.125 -3.995 13.696 110 HD21 LEU 11 HD21 LEU 11 -8.293 -0.939 15.470 111 HD22 LEU 11 HD22 LEU 11 -6.836 0.016 15.211 112 HD23 LEU 11 HD23 LEU 11 -6.824 -1.308 16.379 113 H LEU 12 H LEU 12 -3.233 -4.186 12.076 114 HA LEU 12 HA LEU 12 -5.506 -5.777 11.101 115 HB2 LEU 12 HB2 LEU 12 -4.178 -4.326 9.231 116 HB3 LEU 12 HB3 LEU 12 -3.064 -5.672 9.305 117 HG LEU 12 HG LEU 12 -4.645 -5.915 7.438 118 HD11 LEU 12 HD11 LEU 12 -3.827 -7.984 8.431 119 HD12 LEU 12 HD12 LEU 12 -5.462 -8.179 7.808 120 HD13 LEU 12 HD13 LEU 12 -5.195 -8.017 9.548 121 HD21 LEU 12 HD21 LEU 12 -6.863 -5.937 9.509 122 HD22 LEU 12 HD22 LEU 12 -7.053 -6.233 7.777 123 HD23 LEU 12 HD23 LEU 12 -6.529 -4.650 8.346 124 H ASN 13 H ASN 13 -5.334 -7.772 11.924 125 HA ASN 13 HA ASN 13 -3.145 -8.616 13.519 126 HB2 ASN 13 HB2 ASN 13 -4.407 -10.746 13.769 127 HB3 ASN 13 HB3 ASN 13 -5.399 -9.324 14.059 128 HD21 ASN 13 HD21 ASN 13 -6.258 -11.989 13.398 129 HD22 ASN 13 HD22 ASN 13 -7.157 -11.876 11.928 130 H ALA 14 H ALA 14 -1.926 -10.657 13.296 131 HA ALA 14 HA ALA 14 -0.555 -10.731 10.728 132 HB1 ALA 14 HB1 ALA 14 1.133 -12.060 11.930 133 HB2 ALA 14 HB2 ALA 14 0.063 -12.179 13.333 134 HB3 ALA 14 HB3 ALA 14 0.708 -10.611 12.844 135 H THR 15 H THR 15 -3.113 -11.791 10.355 136 HA THR 15 HA THR 15 -3.352 -14.609 10.528 137 HB THR 15 HB THR 15 -4.647 -12.800 8.420 138 HG1 THR 15 HG1 THR 15 -5.225 -13.219 11.144 139 HG21 THR 15 HG21 THR 15 -5.591 -15.451 9.591 140 HG22 THR 15 HG22 THR 15 -4.941 -15.224 7.965 141 HG23 THR 15 HG23 THR 15 -6.469 -14.467 8.416 142 H SER 16 H SER 16 -2.665 -12.604 7.634 143 HA SER 16 HA SER 16 -1.273 -14.849 6.311 144 HB2 SER 16 HB2 SER 16 -2.246 -12.196 5.164 145 HB3 SER 16 HB3 SER 16 -1.501 -13.494 4.230 146 HG SER 16 HG SER 16 -3.773 -13.563 4.111 147 H LYS 17 H LYS 17 -0.243 -12.899 8.509 148 HA LYS 17 HA LYS 17 1.750 -12.050 9.195 149 HB2 LYS 17 HB2 LYS 17 2.864 -13.548 6.785 150 HB3 LYS 17 HB3 LYS 17 3.801 -12.996 8.171 151 HG2 LYS 17 HG2 LYS 17 2.648 -14.570 9.641 152 HG3 LYS 17 HG3 LYS 17 1.559 -15.045 8.329 153 HD2 LYS 17 HD2 LYS 17 3.525 -15.925 7.057 154 HD3 LYS 17 HD3 LYS 17 4.571 -15.510 8.420 155 HE2 LYS 17 HE2 LYS 17 2.280 -17.512 8.477 156 HE3 LYS 17 HE3 LYS 17 3.998 -17.904 8.436 157 HZ1 LYS 17 HZ1 LYS 17 4.239 -16.800 10.594 158 HZ2 LYS 17 HZ2 LYS 17 3.144 -18.086 10.663 159 HZ3 LYS 17 HZ3 LYS 17 2.575 -16.496 10.630 160 H ASN 18 H ASN 18 4.054 -11.175 7.664 161 HA ASN 18 HA ASN 18 3.424 -8.608 6.762 162 HB2 ASN 18 HB2 ASN 18 5.732 -8.558 5.817 163 HB3 ASN 18 HB3 ASN 18 5.681 -9.184 7.462 164 HD21 ASN 18 HD21 ASN 18 6.368 -9.936 4.150 165 HD22 ASN 18 HD22 ASN 18 7.001 -11.514 4.428 166 H ILE 19 H ILE 19 3.205 -11.605 5.045 167 HA ILE 19 HA ILE 19 3.664 -10.985 2.379 168 HB ILE 19 HB ILE 19 1.825 -13.066 3.620 169 HG12 ILE 19 HG12 ILE 19 3.656 -14.668 2.745 170 HG13 ILE 19 HG13 ILE 19 4.619 -13.246 2.380 171 HG21 ILE 19 HG21 ILE 19 2.509 -12.871 0.670 172 HG22 ILE 19 HG22 ILE 19 0.913 -12.669 1.397 173 HG23 ILE 19 HG23 ILE 19 1.707 -14.243 1.443 174 HD11 ILE 19 HD11 ILE 19 5.311 -14.298 4.432 175 HD12 ILE 19 HD12 ILE 19 3.692 -14.121 5.107 176 HD13 ILE 19 HD13 ILE 19 4.666 -12.689 4.758 177 H LEU 20 H LEU 20 0.926 -10.050 4.316 178 HA LEU 20 HA LEU 20 -1.239 -9.651 2.745 179 HB2 LEU 20 HB2 LEU 20 -0.004 -7.658 4.692 180 HB3 LEU 20 HB3 LEU 20 -1.626 -7.473 4.045 181 HG LEU 20 HG LEU 20 -0.777 -9.874 5.715 182 HD11 LEU 20 HD11 LEU 20 -1.884 -8.804 7.632 183 HD12 LEU 20 HD12 LEU 20 -2.148 -7.340 6.681 184 HD13 LEU 20 HD13 LEU 20 -0.505 -7.855 7.075 185 HD21 LEU 20 HD21 LEU 20 -2.753 -10.261 4.303 186 HD22 LEU 20 HD22 LEU 20 -3.537 -8.830 4.976 187 HD23 LEU 20 HD23 LEU 20 -3.195 -10.220 6.008 188 H TRP 21 H TRP 21 1.194 -7.044 3.111 189 HA TRP 21 HA TRP 21 0.662 -6.074 0.383 190 HB2 TRP 21 HB2 TRP 21 1.860 -4.759 2.826 191 HB3 TRP 21 HB3 TRP 21 2.054 -4.054 1.223 192 HD1 TRP 21 HD1 TRP 21 -0.666 -4.718 3.881 193 HE1 TRP 21 HE1 TRP 21 -2.712 -3.269 3.300 194 HE3 TRP 21 HE3 TRP 21 0.809 -2.999 -0.708 195 HZ2 TRP 21 HZ2 TRP 21 -3.598 -1.627 1.186 196 HZ3 TRP 21 HZ3 TRP 21 -0.695 -1.493 -1.950 197 HH2 TRP 21 HH2 TRP 21 -2.853 -0.818 -1.022 198 H SER 22 H SER 22 3.136 -7.720 2.221 199 HA SER 22 HA SER 22 5.467 -6.973 0.796 200 HB2 SER 22 HB2 SER 22 5.533 -8.245 2.917 201 HB3 SER 22 HB3 SER 22 4.863 -9.655 2.108 202 HG SER 22 HG SER 22 7.016 -8.913 0.746 203 H ALA 23 H ALA 23 2.830 -8.923 -0.232 204 HA ALA 23 HA ALA 23 3.864 -10.536 -2.264 205 HB1 ALA 23 HB1 ALA 23 1.205 -9.080 -2.195 206 HB2 ALA 23 HB2 ALA 23 1.548 -10.625 -1.415 207 HB3 ALA 23 HB3 ALA 23 1.588 -10.501 -3.174 208 H ILE 24 H ILE 24 3.301 -7.035 -2.290 209 HA ILE 24 HA ILE 24 3.306 -6.677 -5.123 210 HB ILE 24 HB ILE 24 3.405 -4.267 -4.730 211 HG12 ILE 24 HG12 ILE 24 4.160 -5.012 -1.872 212 HG13 ILE 24 HG13 ILE 24 5.083 -4.034 -2.999 213 HG21 ILE 24 HG21 ILE 24 1.385 -3.998 -3.347 214 HG22 ILE 24 HG22 ILE 24 1.597 -5.625 -2.698 215 HG23 ILE 24 HG23 ILE 24 1.241 -5.399 -4.412 216 HD11 ILE 24 HD11 ILE 24 4.136 -2.646 -1.300 217 HD12 ILE 24 HD12 ILE 24 2.523 -3.280 -1.603 218 HD13 ILE 24 HD13 ILE 24 3.325 -2.283 -2.824 219 H SER 25 H SER 25 5.869 -7.125 -2.885 220 HA SER 25 HA SER 25 8.021 -5.899 -4.291 221 HB2 SER 25 HB2 SER 25 8.197 -6.573 -1.923 222 HB3 SER 25 HB3 SER 25 8.038 -8.266 -2.372 223 HG SER 25 HG SER 25 10.046 -7.233 -3.790 224 H THR 26 H THR 26 6.339 -8.961 -4.699 225 HA THR 26 HA THR 26 8.298 -9.883 -6.731 226 HB THR 26 HB THR 26 7.276 -12.144 -6.486 227 HG1 THR 26 HG1 THR 26 5.406 -10.760 -5.061 228 HG21 THR 26 HG21 THR 26 9.250 -11.612 -5.125 229 HG22 THR 26 HG22 THR 26 8.162 -12.690 -4.250 230 HG23 THR 26 HG23 THR 26 8.217 -10.972 -3.843 231 HA PRO 27 HA PRO 27 5.408 -9.315 -10.199 232 HB2 PRO 27 HB2 PRO 27 6.052 -11.763 -11.505 233 HB3 PRO 27 HB3 PRO 27 6.863 -10.211 -11.740 234 HG2 PRO 27 HG2 PRO 27 7.615 -12.485 -9.892 235 HG3 PRO 27 HG3 PRO 27 8.664 -11.507 -10.950 236 HD2 PRO 27 HD2 PRO 27 8.610 -10.995 -8.366 237 HD3 PRO 27 HD3 PRO 27 8.535 -9.624 -9.497 238 H THR 28 H THR 28 5.524 -12.806 -9.263 239 HA THR 28 HA THR 28 2.856 -13.400 -9.889 240 HB THR 28 HB THR 28 4.417 -15.213 -9.714 241 HG1 THR 28 HG1 THR 28 2.063 -15.321 -8.676 242 HG21 THR 28 HG21 THR 28 5.422 -15.976 -7.591 243 HG22 THR 28 HG22 THR 28 4.703 -14.602 -6.748 244 HG23 THR 28 HG23 THR 28 5.941 -14.332 -7.978 245 H GLY 29 H GLY 29 4.242 -12.343 -6.762 246 HA2 GLY 29 HA2 GLY 29 1.899 -12.732 -5.188 247 HA3 GLY 29 HA3 GLY 29 3.254 -11.683 -4.793 248 H LEU 30 H LEU 30 3.071 -10.015 -7.115 249 HA LEU 30 HA LEU 30 1.214 -8.056 -6.285 250 HB2 LEU 30 HB2 LEU 30 3.414 -8.178 -8.043 251 HB3 LEU 30 HB3 LEU 30 2.086 -7.747 -9.098 252 HG LEU 30 HG LEU 30 2.952 -6.217 -6.622 253 HD11 LEU 30 HD11 LEU 30 3.336 -5.507 -9.532 254 HD12 LEU 30 HD12 LEU 30 4.590 -6.024 -8.401 255 HD13 LEU 30 HD13 LEU 30 3.756 -4.494 -8.146 256 HD21 LEU 30 HD21 LEU 30 0.799 -5.509 -8.632 257 HD22 LEU 30 HD22 LEU 30 1.387 -4.459 -7.339 258 HD23 LEU 30 HD23 LEU 30 0.557 -5.962 -6.939 259 H GLU 31 H GLU 31 1.158 -10.034 -9.321 260 HA GLU 31 HA GLU 31 -1.475 -9.193 -10.065 261 HB2 GLU 31 HB2 GLU 31 -1.351 -10.993 -11.818 262 HB3 GLU 31 HB3 GLU 31 -0.011 -9.866 -11.830 263 HG2 GLU 31 HG2 GLU 31 1.070 -11.872 -12.188 264 HG3 GLU 31 HG3 GLU 31 1.248 -11.691 -10.448 265 H ASP 32 H ASP 32 -0.532 -11.468 -7.733 266 HA ASP 32 HA ASP 32 -2.607 -13.330 -7.688 267 HB2 ASP 32 HB2 ASP 32 -0.624 -13.419 -6.227 268 HB3 ASP 32 HB3 ASP 32 -1.159 -11.979 -5.374 269 H TRP 33 H TRP 33 -2.618 -9.930 -6.611 270 HA TRP 33 HA TRP 33 -5.534 -10.048 -6.101 271 HB2 TRP 33 HB2 TRP 33 -5.282 -8.892 -3.942 272 HB3 TRP 33 HB3 TRP 33 -4.408 -10.416 -3.928 273 HD1 TRP 33 HD1 TRP 33 -1.576 -9.921 -4.721 274 HE1 TRP 33 HE1 TRP 33 -0.034 -8.202 -3.604 275 HE3 TRP 33 HE3 TRP 33 -5.116 -6.885 -2.641 276 HZ2 TRP 33 HZ2 TRP 33 -0.277 -5.875 -2.023 277 HZ3 TRP 33 HZ3 TRP 33 -4.386 -4.933 -1.330 278 HH2 TRP 33 HH2 TRP 33 -2.010 -4.441 -1.028 279 H PHE 34 H PHE 34 -3.341 -8.574 -7.964 280 HA PHE 34 HA PHE 34 -4.487 -5.839 -7.681 281 HB2 PHE 34 HB2 PHE 34 -2.043 -6.021 -7.211 282 HB3 PHE 34 HB3 PHE 34 -1.780 -6.624 -8.841 283 HD1 PHE 34 HD2 PHE 34 -2.975 -3.643 -6.918 284 HD2 PHE 34 HD1 PHE 34 -1.430 -5.082 -10.639 285 HE1 PHE 34 HE2 PHE 34 -2.663 -1.332 -7.692 286 HE2 PHE 34 HE1 PHE 34 -1.118 -2.768 -11.402 287 HZ PHE 34 HZ PHE 34 -1.737 -0.889 -9.932 288 H ALA 35 H ALA 35 -2.809 -7.573 -10.372 289 HA ALA 35 HA ALA 35 -4.958 -6.665 -12.235 290 HB1 ALA 35 HB1 ALA 35 -2.949 -5.224 -12.434 291 HB2 ALA 35 HB2 ALA 35 -3.238 -6.143 -13.910 292 HB3 ALA 35 HB3 ALA 35 -1.962 -6.643 -12.793 293 H ASP 36 H ASP 36 -4.651 -7.788 -14.460 294 HA ASP 36 HA ASP 36 -5.178 -10.532 -14.277 295 HB2 ASP 36 HB2 ASP 36 -4.251 -8.900 -16.682 296 HB3 ASP 36 HB3 ASP 36 -4.933 -10.523 -16.778 297 H LYS 37 H LYS 37 -2.194 -8.895 -15.351 298 HA LYS 37 HA LYS 37 -0.556 -11.245 -14.729 299 HB2 LYS 37 HB2 LYS 37 -1.273 -11.527 -17.103 300 HB3 LYS 37 HB3 LYS 37 -0.614 -9.942 -17.496 301 HG2 LYS 37 HG2 LYS 37 1.661 -10.766 -16.934 302 HG3 LYS 37 HG3 LYS 37 0.982 -12.355 -16.560 303 HD2 LYS 37 HD2 LYS 37 0.212 -12.571 -18.907 304 HD3 LYS 37 HD3 LYS 37 0.890 -10.984 -19.280 305 HE2 LYS 37 HE2 LYS 37 3.154 -11.834 -18.766 306 HE3 LYS 37 HE3 LYS 37 2.479 -13.416 -18.372 307 HZ1 LYS 37 HZ1 LYS 37 1.704 -13.584 -20.666 308 HZ2 LYS 37 HZ2 LYS 37 3.383 -13.398 -20.588 309 HZ3 LYS 37 HZ3 LYS 37 2.404 -12.090 -21.027 310 H VAL 38 H VAL 38 1.612 -10.719 -14.294 311 HA VAL 38 HA VAL 38 2.489 -7.905 -14.627 312 HB VAL 38 HB VAL 38 2.899 -9.617 -12.129 313 HG11 VAL 38 HG11 VAL 38 4.289 -7.745 -11.234 314 HG12 VAL 38 HG12 VAL 38 4.223 -6.960 -12.813 315 HG13 VAL 38 HG13 VAL 38 5.038 -8.516 -12.636 316 HG21 VAL 38 HG21 VAL 38 1.820 -7.727 -10.937 317 HG22 VAL 38 HG22 VAL 38 0.750 -8.386 -12.177 318 HG23 VAL 38 HG23 VAL 38 1.612 -6.876 -12.472 319 H VAL 39 H VAL 39 4.032 -7.983 -16.132 320 HA VAL 39 HA VAL 39 6.149 -10.038 -16.122 321 HB VAL 39 HB VAL 39 5.671 -7.691 -18.036 322 HG11 VAL 39 HG11 VAL 39 7.555 -10.067 -18.335 323 HG12 VAL 39 HG12 VAL 39 8.036 -8.392 -18.048 324 HG13 VAL 39 HG13 VAL 39 7.252 -8.838 -19.565 325 HG21 VAL 39 HG21 VAL 39 3.819 -9.317 -18.151 326 HG22 VAL 39 HG22 VAL 39 4.972 -10.627 -18.423 327 HG23 VAL 39 HG23 VAL 39 4.783 -9.355 -19.631 328 H SER 40 H SER 40 7.900 -9.615 -14.833 329 HA SER 40 HA SER 40 8.512 -6.797 -14.076 330 HB2 SER 40 HB2 SER 40 7.867 -8.236 -12.176 331 HB3 SER 40 HB3 SER 40 9.152 -9.376 -12.576 332 HG SER 40 HG SER 40 10.286 -8.175 -11.264 333 H ASP 41 H ASP 41 10.343 -5.929 -14.830 334 HA ASP 41 HA ASP 41 12.420 -7.434 -16.136 335 HB2 ASP 41 HB2 ASP 41 11.843 -5.118 -16.825 336 HB3 ASP 41 HB3 ASP 41 12.341 -4.511 -15.246 337 H ASP 42 H ASP 42 12.657 -5.208 -13.355 338 HA ASP 42 HA ASP 42 13.569 -6.929 -11.370 339 HB2 ASP 42 HB2 ASP 42 15.609 -7.177 -12.869 340 HB3 ASP 42 HB3 ASP 42 15.912 -5.455 -12.690 341 H LYS 43 H LYS 43 14.869 -3.780 -12.479 342 HA LYS 43 HA LYS 43 14.140 -2.406 -10.029 343 HB2 LYS 43 HB2 LYS 43 15.350 -1.378 -12.635 344 HB3 LYS 43 HB3 LYS 43 15.128 -0.398 -11.187 345 HG2 LYS 43 HG2 LYS 43 16.693 -1.814 -9.950 346 HG3 LYS 43 HG3 LYS 43 16.868 -2.885 -11.340 347 HD2 LYS 43 HD2 LYS 43 17.574 0.064 -11.569 348 HD3 LYS 43 HD3 LYS 43 18.712 -1.079 -10.859 349 HE2 LYS 43 HE2 LYS 43 19.211 -0.714 -13.234 350 HE3 LYS 43 HE3 LYS 43 18.731 -2.383 -12.951 351 HZ1 LYS 43 HZ1 LYS 43 16.577 -1.908 -13.859 352 HZ2 LYS 43 HZ2 LYS 43 17.765 -1.430 -14.960 353 HZ3 LYS 43 HZ3 LYS 43 16.955 -0.272 -14.032 354 H THR 44 H THR 44 12.755 -2.893 -13.178 355 HA THR 44 HA THR 44 10.497 -1.062 -12.569 356 HB THR 44 HB THR 44 11.578 -1.890 -15.305 357 HG1 THR 44 HG1 THR 44 12.802 -0.259 -14.251 358 HG21 THR 44 HG21 THR 44 9.910 -0.306 -16.248 359 HG22 THR 44 HG22 THR 44 9.219 -0.088 -14.639 360 HG23 THR 44 HG23 THR 44 9.130 -1.664 -15.430 361 H VAL 45 H VAL 45 8.498 -1.924 -12.547 362 HA VAL 45 HA VAL 45 8.060 -4.788 -13.202 363 HB VAL 45 HB VAL 45 6.687 -3.045 -11.086 364 HG11 VAL 45 HG11 VAL 45 5.080 -4.652 -12.000 365 HG12 VAL 45 HG12 VAL 45 5.544 -5.137 -10.369 366 HG13 VAL 45 HG13 VAL 45 6.228 -5.973 -11.763 367 HG21 VAL 45 HG21 VAL 45 8.592 -5.394 -10.723 368 HG22 VAL 45 HG22 VAL 45 7.778 -4.519 -9.424 369 HG23 VAL 45 HG23 VAL 45 8.979 -3.696 -10.422 370 H THR 46 H THR 46 6.798 -5.024 -15.005 371 HA THR 46 HA THR 46 4.998 -2.846 -15.882 372 HB THR 46 HB THR 46 6.037 -5.243 -17.473 373 HG1 THR 46 HG1 THR 46 7.009 -3.136 -18.549 374 HG21 THR 46 HG21 THR 46 5.159 -4.062 -19.464 375 HG22 THR 46 HG22 THR 46 4.497 -2.793 -18.433 376 HG23 THR 46 HG23 THR 46 3.849 -4.433 -18.338 377 H PHE 47 H PHE 47 2.919 -3.114 -15.370 378 HA PHE 47 HA PHE 47 1.625 -5.674 -14.925 379 HB2 PHE 47 HB2 PHE 47 0.272 -2.955 -15.193 380 HB3 PHE 47 HB3 PHE 47 -0.321 -4.376 -14.336 381 HD1 PHE 47 HD1 PHE 47 1.102 -5.181 -12.288 382 HD2 PHE 47 HD2 PHE 47 1.419 -1.271 -13.992 383 HE1 PHE 47 HE1 PHE 47 2.092 -4.342 -10.210 384 HE2 PHE 47 HE2 PHE 47 2.415 -0.444 -11.901 385 HZ PHE 47 HZ PHE 47 2.755 -1.981 -10.005 386 H CYS 48 H CYS 48 -0.004 -6.565 -16.283 387 HA CYS 48 HA CYS 48 -0.355 -5.466 -19.001 388 HB2 CYS 48 HB2 CYS 48 0.435 -8.343 -18.369 389 HB3 CYS 48 HB3 CYS 48 -0.014 -7.745 -19.965 390 HG CYS 48 HG CYS 48 2.317 -5.754 -19.054 391 H TRP 49 H TRP 49 -2.476 -5.106 -19.115 392 HA TRP 49 HA TRP 49 -4.462 -6.984 -17.989 393 HB2 TRP 49 HB2 TRP 49 -4.805 -4.164 -19.112 394 HB3 TRP 49 HB3 TRP 49 -6.094 -5.136 -18.408 395 HD1 TRP 49 HD1 TRP 49 -6.104 -5.401 -15.714 396 HE1 TRP 49 HE1 TRP 49 -5.018 -4.000 -13.860 397 HE3 TRP 49 HE3 TRP 49 -2.682 -2.819 -18.514 398 HZ2 TRP 49 HZ2 TRP 49 -2.997 -2.063 -13.591 399 HZ3 TRP 49 HZ3 TRP 49 -1.208 -1.205 -17.378 400 HH2 TRP 49 HH2 TRP 49 -1.361 -0.834 -14.965 401 H GLY 50 H GLY 50 -3.265 -5.683 -21.046 402 HA2 GLY 50 HA2 GLY 50 -4.799 -7.622 -22.602 403 HA3 GLY 50 HA3 GLY 50 -5.223 -5.940 -22.879 404 H LYS 51 H LYS 51 -4.595 -6.217 -25.086 405 HA LYS 51 HA LYS 51 -2.141 -7.203 -26.037 406 HB2 LYS 51 HB2 LYS 51 -3.918 -5.118 -27.384 407 HB3 LYS 51 HB3 LYS 51 -2.712 -6.121 -28.183 408 HG2 LYS 51 HG2 LYS 51 -5.273 -7.113 -26.878 409 HG3 LYS 51 HG3 LYS 51 -4.993 -6.921 -28.613 410 HD2 LYS 51 HD2 LYS 51 -3.145 -8.631 -28.442 411 HD3 LYS 51 HD3 LYS 51 -3.579 -8.875 -26.746 412 HE2 LYS 51 HE2 LYS 51 -5.869 -9.572 -27.476 413 HE3 LYS 51 HE3 LYS 51 -5.359 -9.402 -29.158 414 HZ1 LYS 51 HZ1 LYS 51 -5.249 -11.681 -28.421 415 HZ2 LYS 51 HZ2 LYS 51 -4.187 -11.268 -27.172 416 HZ3 LYS 51 HZ3 LYS 51 -3.700 -11.109 -28.782 417 H THR 52 H THR 52 -3.073 -3.727 -26.132 418 HA THR 52 HA THR 52 -0.245 -2.906 -25.742 419 HB THR 52 HB THR 52 -0.960 -0.659 -26.525 420 HG1 THR 52 HG1 THR 52 -3.149 -0.723 -25.787 421 HG21 THR 52 HG21 THR 52 -0.247 -2.264 -28.258 422 HG22 THR 52 HG22 THR 52 -1.515 -1.203 -28.876 423 HG23 THR 52 HG23 THR 52 -1.906 -2.858 -28.403 424 H GLU 53 H GLU 53 -2.824 -3.533 -23.834 425 HA GLU 53 HA GLU 53 -2.934 -1.153 -22.188 426 HB2 GLU 53 HB2 GLU 53 -4.187 -3.866 -21.600 427 HB3 GLU 53 HB3 GLU 53 -4.643 -2.306 -20.924 428 HG2 GLU 53 HG2 GLU 53 -5.041 -3.247 -23.782 429 HG3 GLU 53 HG3 GLU 53 -6.291 -3.022 -22.563 430 H GLN 54 H GLN 54 -0.880 -0.892 -21.341 431 HA GLN 54 HA GLN 54 -0.104 -2.606 -19.118 432 HB2 GLN 54 HB2 GLN 54 2.210 -2.982 -19.984 433 HB3 GLN 54 HB3 GLN 54 0.976 -3.793 -20.940 434 HG2 GLN 54 HG2 GLN 54 1.142 -2.067 -22.679 435 HG3 GLN 54 HG3 GLN 54 2.316 -1.179 -21.708 436 HE21 GLN 54 HE21 GLN 54 1.808 -4.020 -23.684 437 HE22 GLN 54 HE22 GLN 54 3.475 -4.410 -23.884 438 H ARG 55 H ARG 55 0.924 -1.519 -17.520 439 HA ARG 55 HA ARG 55 2.209 1.108 -18.044 440 HB2 ARG 55 HB2 ARG 55 0.415 0.399 -15.691 441 HB3 ARG 55 HB3 ARG 55 1.489 1.799 -15.718 442 HG2 ARG 55 HG2 ARG 55 0.170 2.362 -17.972 443 HG3 ARG 55 HG3 ARG 55 -1.067 1.325 -17.248 444 HD2 ARG 55 HD2 ARG 55 -1.030 2.759 -15.215 445 HD3 ARG 55 HD3 ARG 55 0.184 3.785 -15.990 446 HE ARG 55 HE ARG 55 -2.528 3.428 -17.126 447 HH11 ARG 55 HH11 ARG 55 0.005 5.579 -16.129 448 HH12 ARG 55 HH12 ARG 55 -0.865 6.981 -16.630 449 HH21 ARG 55 HH21 ARG 55 -3.615 5.248 -17.711 450 HH22 ARG 55 HH22 ARG 55 -2.878 6.795 -17.500 451 H GLN 56 H GLN 56 4.117 1.481 -16.949 452 HA GLN 56 HA GLN 56 5.349 -0.820 -15.547 453 HB2 GLN 56 HB2 GLN 56 6.679 1.569 -16.912 454 HB3 GLN 56 HB3 GLN 56 7.506 0.182 -16.200 455 HG2 GLN 56 HG2 GLN 56 6.338 -1.288 -17.876 456 HG3 GLN 56 HG3 GLN 56 5.700 0.172 -18.634 457 HE21 GLN 56 HE21 GLN 56 8.573 -1.733 -18.045 458 HE22 GLN 56 HE22 GLN 56 9.569 -0.949 -19.216 459 H ALA 57 H ALA 57 6.542 -0.485 -13.604 460 HA ALA 57 HA ALA 57 6.416 2.145 -12.267 461 HB1 ALA 57 HB1 ALA 57 5.448 1.199 -10.213 462 HB2 ALA 57 HB2 ALA 57 5.334 -0.396 -10.962 463 HB3 ALA 57 HB3 ALA 57 4.353 0.938 -11.570 464 H GLY 58 H GLY 58 8.439 2.564 -11.627 465 HA2 GLY 58 HA2 GLY 58 10.397 0.459 -11.102 466 HA3 GLY 58 HA3 GLY 58 10.702 2.185 -11.225 467 H ILE 59 H ILE 59 11.295 -0.030 -9.140 468 HA ILE 59 HA ILE 59 10.015 0.796 -6.704 469 HB ILE 59 HB ILE 59 12.628 -0.768 -7.067 470 HG12 ILE 59 HG12 ILE 59 11.169 -2.742 -6.242 471 HG13 ILE 59 HG13 ILE 59 9.775 -1.719 -6.542 472 HG21 ILE 59 HG21 ILE 59 12.432 -1.400 -4.670 473 HG22 ILE 59 HG22 ILE 59 11.034 -0.337 -4.502 474 HG23 ILE 59 HG23 ILE 59 12.621 0.345 -4.867 475 HD11 ILE 59 HD11 ILE 59 10.125 -3.298 -8.335 476 HD12 ILE 59 HD12 ILE 59 11.756 -2.682 -8.604 477 HD13 ILE 59 HD13 ILE 59 10.357 -1.652 -8.921 478 H VAL 60 H VAL 60 10.486 2.547 -5.440 479 HA VAL 60 HA VAL 60 12.655 4.363 -6.177 480 HB VAL 60 HB VAL 60 10.505 4.647 -4.029 481 HG11 VAL 60 HG11 VAL 60 12.432 6.084 -3.511 482 HG12 VAL 60 HG12 VAL 60 11.055 7.064 -4.015 483 HG13 VAL 60 HG13 VAL 60 12.384 6.768 -5.139 484 HG21 VAL 60 HG21 VAL 60 10.571 5.828 -6.828 485 HG22 VAL 60 HG22 VAL 60 9.335 6.136 -5.606 486 HG23 VAL 60 HG23 VAL 60 9.519 4.517 -6.282 487 H ALA 61 H ALA 61 11.612 2.482 -3.330 488 HA ALA 61 HA ALA 61 14.269 1.763 -2.562 489 HB1 ALA 61 HB1 ALA 61 12.841 3.681 -0.668 490 HB2 ALA 61 HB2 ALA 61 14.289 4.052 -1.605 491 HB3 ALA 61 HB3 ALA 61 14.355 2.830 -0.334 492 H ILE 62 H ILE 62 14.270 0.245 -0.733 493 HA ILE 62 HA ILE 62 11.775 -0.625 0.474 494 HB ILE 62 HB ILE 62 11.572 -1.799 -1.682 495 HG12 ILE 62 HG12 ILE 62 12.321 -3.723 0.577 496 HG13 ILE 62 HG13 ILE 62 10.742 -2.996 0.319 497 HG21 ILE 62 HG21 ILE 62 13.928 -1.839 -2.359 498 HG22 ILE 62 HG22 ILE 62 13.232 -3.456 -2.465 499 HG23 ILE 62 HG23 ILE 62 14.292 -3.039 -1.115 500 HD11 ILE 62 HD11 ILE 62 10.523 -4.260 -1.773 501 HD12 ILE 62 HD12 ILE 62 10.763 -5.305 -0.374 502 HD13 ILE 62 HD13 ILE 62 12.099 -5.000 -1.481 503 H ARG 63 H ARG 63 12.091 -1.996 2.288 504 HA ARG 63 HA ARG 63 14.767 -3.055 2.893 505 HB2 ARG 63 HB2 ARG 63 14.695 -0.812 3.975 506 HB3 ARG 63 HB3 ARG 63 13.224 -1.261 4.832 507 HG2 ARG 63 HG2 ARG 63 14.498 -3.043 6.026 508 HG3 ARG 63 HG3 ARG 63 15.970 -2.519 5.199 509 HD2 ARG 63 HD2 ARG 63 15.720 -0.277 6.248 510 HD3 ARG 63 HD3 ARG 63 14.289 -0.852 7.112 511 HE ARG 63 HE ARG 63 17.081 -1.688 7.572 512 HH11 ARG 63 HH11 ARG 63 13.783 -1.845 8.621 513 HH12 ARG 63 HH12 ARG 63 14.211 -2.389 10.202 514 HH21 ARG 63 HH21 ARG 63 17.590 -2.366 9.597 515 HH22 ARG 63 HH22 ARG 63 16.338 -2.661 10.747 516 H ALA 64 H ALA 64 14.159 -5.148 2.846 517 HA ALA 64 HA ALA 64 13.081 -7.114 3.130 518 HB1 ALA 64 HB1 ALA 64 14.277 -6.874 5.266 519 HB2 ALA 64 HB2 ALA 64 12.792 -7.811 5.457 520 HB3 ALA 64 HB3 ALA 64 12.848 -6.127 5.984 521 H TYR 65 H TYR 65 11.016 -5.657 5.616 522 HA TYR 65 HA TYR 65 8.657 -5.621 3.840 523 HB2 TYR 65 HB2 TYR 65 7.294 -6.882 5.327 524 HB3 TYR 65 HB3 TYR 65 8.801 -7.784 5.288 525 HD1 TYR 65 HD2 TYR 65 10.541 -7.118 7.263 526 HD2 TYR 65 HD1 TYR 65 6.327 -6.429 7.422 527 HE1 TYR 65 HE2 TYR 65 10.645 -6.993 9.724 528 HE2 TYR 65 HE1 TYR 65 6.428 -6.286 9.861 529 HH TYR 65 HH TYR 65 9.275 -5.948 11.593 530 H SER 66 H SER 66 10.614 -4.081 6.113 531 HA SER 66 HA SER 66 8.940 -2.747 7.902 532 HB2 SER 66 HB2 SER 66 11.583 -1.718 6.769 533 HB3 SER 66 HB3 SER 66 10.847 -1.248 8.303 534 HG SER 66 HG SER 66 11.369 -3.169 9.162 535 H PHE 67 H PHE 67 10.158 -1.739 4.727 536 HA PHE 67 HA PHE 67 7.721 -0.301 4.146 537 HB2 PHE 67 HB2 PHE 67 8.812 1.878 3.571 538 HB3 PHE 67 HB3 PHE 67 8.885 1.519 5.289 539 HD1 PHE 67 HD1 PHE 67 10.889 1.793 2.182 540 HD2 PHE 67 HD2 PHE 67 11.028 1.147 6.408 541 HE1 PHE 67 HE1 PHE 67 13.311 2.168 2.155 542 HE2 PHE 67 HE2 PHE 67 13.457 1.549 6.379 543 HZ PHE 67 HZ PHE 67 14.600 2.061 4.255 544 H ILE 68 H ILE 68 7.516 0.307 1.929 545 HA ILE 68 HA ILE 68 9.580 -0.379 -0.002 546 HB ILE 68 HB ILE 68 8.416 -2.549 0.325 547 HG12 ILE 68 HG12 ILE 68 7.763 -1.344 -2.409 548 HG13 ILE 68 HG13 ILE 68 9.342 -1.964 -1.935 549 HG21 ILE 68 HG21 ILE 68 6.217 -1.742 1.042 550 HG22 ILE 68 HG22 ILE 68 6.044 -2.858 -0.314 551 HG23 ILE 68 HG23 ILE 68 5.893 -1.118 -0.578 552 HD11 ILE 68 HD11 ILE 68 6.805 -3.577 -2.175 553 HD12 ILE 68 HD12 ILE 68 8.382 -4.205 -1.690 554 HD13 ILE 68 HD13 ILE 68 8.150 -3.555 -3.313 555 H ARG 69 H ARG 69 9.349 0.787 -1.948 556 HA ARG 69 HA ARG 69 7.026 2.621 -2.193 557 HB2 ARG 69 HB2 ARG 69 9.947 3.404 -2.567 558 HB3 ARG 69 HB3 ARG 69 8.567 4.438 -2.892 559 HG2 ARG 69 HG2 ARG 69 9.180 5.252 -0.844 560 HG3 ARG 69 HG3 ARG 69 8.040 4.014 -0.330 561 HD2 ARG 69 HD2 ARG 69 9.881 2.493 0.189 562 HD3 ARG 69 HD3 ARG 69 11.056 3.655 -0.435 563 HE ARG 69 HE ARG 69 9.550 3.831 2.073 564 HH11 ARG 69 HH11 ARG 69 11.945 5.291 0.014 565 HH12 ARG 69 HH12 ARG 69 12.423 6.415 1.230 566 HH21 ARG 69 HH21 ARG 69 10.162 5.291 3.556 567 HH22 ARG 69 HH22 ARG 69 11.431 6.415 3.213 568 H PHE 70 H PHE 70 6.335 3.052 -4.253 569 HA PHE 70 HA PHE 70 7.990 2.209 -6.568 570 HB2 PHE 70 HB2 PHE 70 4.989 1.776 -6.247 571 HB3 PHE 70 HB3 PHE 70 5.845 1.590 -7.769 572 HD1 PHE 70 HD2 PHE 70 5.258 0.120 -4.433 573 HD2 PHE 70 HD1 PHE 70 7.247 -0.373 -8.192 574 HE1 PHE 70 HE2 PHE 70 5.711 -2.230 -3.895 575 HE2 PHE 70 HE1 PHE 70 7.680 -2.730 -7.640 576 HZ PHE 70 HZ PHE 70 6.908 -3.659 -5.497 577 H HIS 71 H HIS 71 7.665 3.379 -8.467 578 HA HIS 71 HA HIS 71 5.944 5.770 -8.509 579 HB2 HIS 71 HB2 HIS 71 8.120 6.684 -7.877 580 HB3 HIS 71 HB3 HIS 71 8.948 5.733 -9.100 581 HD1 HIS 71 HD1 HIS 71 8.874 6.608 -11.537 582 HD2 HIS 71 HD2 HIS 71 6.923 9.068 -8.819 583 HE1 HIS 71 HE1 HIS 71 8.434 8.749 -12.765 584 HE2 HIS 71 HE2 HIS 71 7.100 10.138 -11.160 585 H TRP 72 H TRP 72 4.685 5.496 -10.285 586 HA TRP 72 HA TRP 72 5.189 3.593 -12.331 587 HB2 TRP 72 HB2 TRP 72 3.188 5.866 -12.126 588 HB3 TRP 72 HB3 TRP 72 3.278 4.856 -13.562 589 HD1 TRP 72 HD1 TRP 72 3.028 2.043 -12.907 590 HE1 TRP 72 HE1 TRP 72 1.217 1.007 -11.410 591 HE3 TRP 72 HE3 TRP 72 1.639 6.211 -10.288 592 HZ2 TRP 72 HZ2 TRP 72 -0.578 1.830 -9.398 593 HZ3 TRP 72 HZ3 TRP 72 -0.144 6.011 -8.601 594 HH2 TRP 72 HH2 TRP 72 -1.234 3.861 -8.165 595 H LEU 73 H LEU 73 6.519 3.713 -14.054 596 HA LEU 73 HA LEU 73 7.810 6.026 -15.081 597 HB2 LEU 73 HB2 LEU 73 7.257 3.285 -16.281 598 HB3 LEU 73 HB3 LEU 73 8.084 4.525 -17.201 599 HG LEU 73 HG LEU 73 9.710 2.980 -16.299 600 HD11 LEU 73 HD11 LEU 73 9.876 5.591 -14.776 601 HD12 LEU 73 HD12 LEU 73 10.404 5.318 -16.438 602 HD13 LEU 73 HD13 LEU 73 11.215 4.486 -15.115 603 HD21 LEU 73 HD21 LEU 73 8.666 3.595 -13.530 604 HD22 LEU 73 HD22 LEU 73 10.064 2.589 -13.924 605 HD23 LEU 73 HD23 LEU 73 8.451 2.085 -14.419 606 H ASP 74 H ASP 74 4.952 4.201 -16.164 607 HA ASP 74 HA ASP 74 3.893 6.437 -17.720 608 HB2 ASP 74 HB2 ASP 74 2.584 3.772 -16.965 609 HB3 ASP 74 HB3 ASP 74 1.999 4.912 -18.179 610 H ASP 75 H ASP 75 4.204 7.722 -15.602 611 HA ASP 75 HA ASP 75 2.452 7.327 -13.385 612 HB2 ASP 75 HB2 ASP 75 3.196 9.630 -12.691 613 HB3 ASP 75 HB3 ASP 75 4.511 8.514 -13.021 614 H GLU 76 H GLU 76 0.490 8.270 -12.865 615 HA GLU 76 HA GLU 76 -1.056 9.123 -15.241 616 HB2 GLU 76 HB2 GLU 76 -1.667 6.960 -14.186 617 HB3 GLU 76 HB3 GLU 76 -2.018 7.794 -12.674 618 HG2 GLU 76 HG2 GLU 76 -3.874 8.980 -13.688 619 HG3 GLU 76 HG3 GLU 76 -3.453 8.362 -15.284 620 H ASN 77 H ASN 77 -0.665 9.941 -11.747 621 HA ASN 77 HA ASN 77 -2.518 12.162 -11.862 622 HB2 ASN 77 HB2 ASN 77 -0.430 11.479 -9.748 623 HB3 ASN 77 HB3 ASN 77 -1.674 12.715 -9.579 624 HD21 ASN 77 HD21 ASN 77 -1.043 9.283 -9.653 625 HD22 ASN 77 HD22 ASN 77 -2.570 8.798 -9.018 626 H GLU 78 H GLU 78 0.930 12.329 -10.951 627 HA GLU 78 HA GLU 78 1.908 13.987 -12.980 628 HB2 GLU 78 HB2 GLU 78 0.234 15.639 -11.920 629 HB3 GLU 78 HB3 GLU 78 1.270 15.645 -10.495 630 HG2 GLU 78 HG2 GLU 78 3.165 16.416 -11.959 631 HG3 GLU 78 HG3 GLU 78 2.026 16.517 -13.300 632 H ARG 79 H ARG 79 1.952 13.244 -9.527 633 HA ARG 79 HA ARG 79 4.919 13.220 -9.470 634 HB2 ARG 79 HB2 ARG 79 3.684 15.332 -8.453 635 HB3 ARG 79 HB3 ARG 79 3.241 14.250 -7.140 636 HG2 ARG 79 HG2 ARG 79 5.200 15.534 -6.514 637 HG3 ARG 79 HG3 ARG 79 5.655 13.838 -6.687 638 HD2 ARG 79 HD2 ARG 79 6.642 14.290 -8.880 639 HD3 ARG 79 HD3 ARG 79 6.097 15.971 -8.816 640 HE ARG 79 HE ARG 79 7.629 15.674 -6.578 641 HH11 ARG 79 HH11 ARG 79 8.300 15.095 -9.929 642 HH12 ARG 79 HH12 ARG 79 9.955 15.556 -9.766 643 HH21 ARG 79 HH21 ARG 79 9.708 16.270 -6.420 644 HH22 ARG 79 HH22 ARG 79 10.744 16.216 -7.799 645 H ASP 80 H ASP 80 3.775 10.930 -9.963 646 HA ASP 80 HA ASP 80 2.261 9.615 -7.976 647 HB2 ASP 80 HB2 ASP 80 3.626 8.549 -10.467 648 HB3 ASP 80 HB3 ASP 80 2.540 7.588 -9.461 649 H TYR 81 H TYR 81 3.547 9.780 -6.079 650 HA TYR 81 HA TYR 81 5.469 7.536 -5.736 651 HB2 TYR 81 HB2 TYR 81 6.630 9.655 -5.357 652 HB3 TYR 81 HB3 TYR 81 5.345 10.240 -4.311 653 HD1 TYR 81 HD1 TYR 81 8.106 7.718 -4.544 654 HD2 TYR 81 HD2 TYR 81 5.387 9.758 -1.941 655 HE1 TYR 81 HE1 TYR 81 9.313 6.849 -2.589 656 HE2 TYR 81 HE2 TYR 81 6.597 8.883 0.010 657 HH TYR 81 HH TYR 81 8.076 7.060 0.606 658 H PHE 82 H PHE 82 4.498 5.901 -4.672 659 HA PHE 82 HA PHE 82 2.773 6.525 -2.355 660 HB2 PHE 82 HB2 PHE 82 1.270 4.638 -2.891 661 HB3 PHE 82 HB3 PHE 82 1.238 5.880 -4.129 662 HD1 PHE 82 HD2 PHE 82 2.687 5.441 -6.285 663 HD2 PHE 82 HD1 PHE 82 1.561 2.370 -3.521 664 HE1 PHE 82 HE2 PHE 82 3.026 3.736 -8.026 665 HE2 PHE 82 HE1 PHE 82 1.908 0.677 -5.269 666 HZ PHE 82 HZ PHE 82 2.634 1.358 -7.521 667 H GLU 83 H GLU 83 3.600 5.755 -0.586 668 HA GLU 83 HA GLU 83 5.484 3.480 -0.594 669 HB2 GLU 83 HB2 GLU 83 6.397 5.590 0.282 670 HB3 GLU 83 HB3 GLU 83 5.065 5.733 1.423 671 HG2 GLU 83 HG2 GLU 83 5.857 3.737 2.623 672 HG3 GLU 83 HG3 GLU 83 7.150 3.522 1.446 673 H ILE 84 H ILE 84 5.055 1.689 0.585 674 HA ILE 84 HA ILE 84 2.744 1.631 2.441 675 HB ILE 84 HB ILE 84 3.703 -0.696 0.690 676 HG12 ILE 84 HG12 ILE 84 1.200 -0.481 -0.186 677 HG13 ILE 84 HG13 ILE 84 1.327 1.175 0.375 678 HG21 ILE 84 HG21 ILE 84 2.931 -1.468 2.876 679 HG22 ILE 84 HG22 ILE 84 1.774 -1.931 1.632 680 HG23 ILE 84 HG23 ILE 84 1.419 -0.571 2.695 681 HD11 ILE 84 HD11 ILE 84 3.080 -0.142 -1.697 682 HD12 ILE 84 HD12 ILE 84 3.178 1.544 -1.169 683 HD13 ILE 84 HD13 ILE 84 1.736 0.959 -2.002 684 H LYS 85 H LYS 85 3.461 1.261 4.505 685 HA LYS 85 HA LYS 85 5.813 -0.505 4.898 686 HB2 LYS 85 HB2 LYS 85 6.684 0.896 6.561 687 HB3 LYS 85 HB3 LYS 85 6.104 2.043 5.366 688 HG2 LYS 85 HG2 LYS 85 4.011 2.286 6.780 689 HG3 LYS 85 HG3 LYS 85 4.816 1.316 8.015 690 HD2 LYS 85 HD2 LYS 85 5.729 4.004 6.929 691 HD3 LYS 85 HD3 LYS 85 5.035 3.699 8.521 692 HE2 LYS 85 HE2 LYS 85 7.005 2.349 9.133 693 HE3 LYS 85 HE3 LYS 85 7.691 2.595 7.522 694 HZ1 LYS 85 HZ1 LYS 85 7.124 4.717 9.514 695 HZ2 LYS 85 HZ2 LYS 85 7.748 4.967 7.962 696 HZ3 LYS 85 HZ3 LYS 85 8.650 4.112 9.104 697 H MET 86 H MET 86 5.808 -1.796 6.825 698 HA MET 86 HA MET 86 3.420 -1.834 8.507 699 HB2 MET 86 HB2 MET 86 3.365 -4.405 8.357 700 HB3 MET 86 HB3 MET 86 2.705 -3.522 6.998 701 HG2 MET 86 HG2 MET 86 4.671 -3.972 5.668 702 HG3 MET 86 HG3 MET 86 5.489 -4.698 7.051 703 HE1 MET 86 HE1 MET 86 1.651 -5.235 6.249 704 HE2 MET 86 HE2 MET 86 1.724 -6.619 5.157 705 HE3 MET 86 HE3 MET 86 2.349 -5.054 4.638 706 H SER 87 H SER 87 3.936 -2.018 10.543 707 HA SER 87 HA SER 87 6.600 -3.047 11.381 708 HB2 SER 87 HB2 SER 87 6.313 -0.662 11.935 709 HB3 SER 87 HB3 SER 87 4.783 -1.003 12.747 710 HG SER 87 HG SER 87 5.845 -1.655 14.453 711 H TYR 88 H TYR 88 6.628 -4.780 12.789 712 HA TYR 88 HA TYR 88 3.994 -6.007 13.343 713 HB2 TYR 88 HB2 TYR 88 5.603 -7.438 12.131 714 HB3 TYR 88 HB3 TYR 88 6.774 -7.267 13.440 715 HD1 TYR 88 HD1 TYR 88 3.074 -8.034 13.348 716 HD2 TYR 88 HD2 TYR 88 6.943 -9.287 14.635 717 HE1 TYR 88 HE1 TYR 88 2.066 -9.931 14.526 718 HE2 TYR 88 HE2 TYR 88 5.938 -11.181 15.814 719 HH TYR 88 HH TYR 88 3.816 -11.862 16.755 720 H ASN 89 H ASN 89 3.257 -6.329 15.379 721 HA ASN 89 HA ASN 89 4.360 -4.596 17.412 722 HB2 ASN 89 HB2 ASN 89 1.834 -6.281 17.333 723 HB3 ASN 89 HB3 ASN 89 2.264 -5.238 18.680 724 HD21 ASN 89 HD21 ASN 89 2.653 -4.457 15.213 725 HD22 ASN 89 HD22 ASN 89 1.506 -3.182 15.237 726 H GLU 90 H GLU 90 4.648 -7.951 16.761 727 HA GLU 90 HA GLU 90 5.673 -9.689 17.755 728 HB2 GLU 90 HB2 GLU 90 6.623 -7.619 19.753 729 HB3 GLU 90 HB3 GLU 90 7.150 -9.297 19.792 730 HG2 GLU 90 HG2 GLU 90 7.546 -7.476 17.400 731 HG3 GLU 90 HG3 GLU 90 8.744 -7.650 18.683 732 H LEU 91 H LEU 91 4.435 -7.837 20.565 733 HA LEU 91 HA LEU 91 3.905 -10.158 22.136 734 HB2 LEU 91 HB2 LEU 91 3.069 -7.246 22.540 735 HB3 LEU 91 HB3 LEU 91 2.974 -8.502 23.767 736 HG LEU 91 HG LEU 91 5.564 -7.473 22.524 737 HD11 LEU 91 HD11 LEU 91 4.526 -5.769 23.947 738 HD12 LEU 91 HD12 LEU 91 5.997 -6.394 24.684 739 HD13 LEU 91 HD13 LEU 91 4.420 -6.918 25.285 740 HD21 LEU 91 HD21 LEU 91 5.757 -9.820 23.218 741 HD22 LEU 91 HD22 LEU 91 5.165 -9.415 24.831 742 HD23 LEU 91 HD23 LEU 91 6.712 -8.776 24.268 743 H THR 92 H THR 92 1.769 -7.807 20.452 744 HA THR 92 HA THR 92 -0.610 -9.266 21.348 745 HB THR 92 HB THR 92 -0.649 -6.820 21.582 746 HG1 THR 92 HG1 THR 92 -2.568 -7.392 19.583 747 HG21 THR 92 HG21 THR 92 -0.556 -6.719 18.540 748 HG22 THR 92 HG22 THR 92 0.699 -6.146 19.638 749 HG23 THR 92 HG23 THR 92 -0.869 -5.344 19.605 750 H GLY 93 H GLY 93 1.387 -9.238 18.598 751 HA2 GLY 93 HA2 GLY 93 1.307 -10.522 16.691 752 HA3 GLY 93 HA3 GLY 93 -0.223 -11.184 17.231 753 H ASP 94 H ASP 94 0.196 -7.721 16.797 754 HA ASP 94 HA ASP 94 -1.445 -7.788 14.326 755 HB2 ASP 94 HB2 ASP 94 -1.182 -5.605 16.437 756 HB3 ASP 94 HB3 ASP 94 -2.106 -5.438 14.946 757 H TYR 95 H TYR 95 -1.136 -5.766 12.973 758 HA TYR 95 HA TYR 95 1.699 -4.908 12.751 759 HB2 TYR 95 HB2 TYR 95 -0.283 -5.706 10.580 760 HB3 TYR 95 HB3 TYR 95 1.007 -4.572 10.208 761 HD1 TYR 95 HD1 TYR 95 0.307 -8.103 11.208 762 HD2 TYR 95 HD2 TYR 95 3.280 -5.306 9.934 763 HE1 TYR 95 HE1 TYR 95 1.873 -9.950 10.772 764 HE2 TYR 95 HE2 TYR 95 4.833 -7.143 9.502 765 HH TYR 95 HH TYR 95 5.203 -9.468 10.225 766 H VAL 96 H VAL 96 1.949 -2.739 13.023 767 HA VAL 96 HA VAL 96 -0.193 -0.821 12.639 768 HB VAL 96 HB VAL 96 2.813 -0.331 12.983 769 HG11 VAL 96 HG11 VAL 96 2.149 1.988 13.612 770 HG12 VAL 96 HG12 VAL 96 0.472 1.610 13.226 771 HG13 VAL 96 HG13 VAL 96 1.691 1.611 11.949 772 HG21 VAL 96 HG21 VAL 96 0.602 -0.288 15.081 773 HG22 VAL 96 HG22 VAL 96 2.286 0.166 15.357 774 HG23 VAL 96 HG23 VAL 96 1.879 -1.502 14.945 775 H LEU 97 H LEU 97 -0.895 -0.822 10.565 776 HA LEU 97 HA LEU 97 0.956 -1.064 8.294 777 HB2 LEU 97 HB2 LEU 97 -1.086 -2.535 8.584 778 HB3 LEU 97 HB3 LEU 97 -2.086 -1.124 8.339 779 HG LEU 97 HG LEU 97 -1.158 -0.865 6.046 780 HD11 LEU 97 HD11 LEU 97 0.205 -2.629 5.022 781 HD12 LEU 97 HD12 LEU 97 0.315 -3.465 6.573 782 HD13 LEU 97 HD13 LEU 97 1.049 -1.873 6.375 783 HD21 LEU 97 HD21 LEU 97 -3.253 -2.098 6.359 784 HD22 LEU 97 HD22 LEU 97 -2.356 -3.607 6.566 785 HD23 LEU 97 HD23 LEU 97 -2.325 -2.763 5.015 786 H GLU 98 H GLU 98 1.617 0.817 7.316 787 HA GLU 98 HA GLU 98 -0.150 3.189 7.440 788 HB2 GLU 98 HB2 GLU 98 1.562 3.143 9.310 789 HB3 GLU 98 HB3 GLU 98 2.826 3.247 8.102 790 HG2 GLU 98 HG2 GLU 98 0.682 5.355 8.173 791 HG3 GLU 98 HG3 GLU 98 1.954 5.386 9.386 792 H ILE 99 H ILE 99 -0.609 3.623 5.396 793 HA ILE 99 HA ILE 99 1.411 3.337 3.248 794 HB ILE 99 HB ILE 99 -1.642 3.418 3.169 795 HG12 ILE 99 HG12 ILE 99 -1.321 1.220 1.887 796 HG13 ILE 99 HG13 ILE 99 0.384 1.310 2.290 797 HG21 ILE 99 HG21 ILE 99 -1.517 3.291 0.672 798 HG22 ILE 99 HG22 ILE 99 0.221 3.578 0.763 799 HG23 ILE 99 HG23 ILE 99 -0.907 4.825 1.301 800 HD11 ILE 99 HD11 ILE 99 -0.794 -0.241 3.708 801 HD12 ILE 99 HD12 ILE 99 -1.895 1.030 4.237 802 HD13 ILE 99 HD13 ILE 99 -0.185 1.114 4.658 803 H THR 100 H THR 100 2.436 5.205 2.690 804 HA THR 100 HA THR 100 1.159 7.825 3.041 805 HB THR 100 HB THR 100 3.975 7.058 2.179 806 HG1 THR 100 HG1 THR 100 3.035 7.048 4.512 807 HG21 THR 100 HG21 THR 100 3.380 9.169 1.044 808 HG22 THR 100 HG22 THR 100 4.553 9.461 2.329 809 HG23 THR 100 HG23 THR 100 2.852 9.861 2.581 810 H ASP 101 H ASP 101 -0.358 8.071 1.517 811 HA ASP 101 HA ASP 101 0.291 7.863 -1.367 812 HB2 ASP 101 HB2 ASP 101 -1.680 6.570 -0.648 813 HB3 ASP 101 HB3 ASP 101 -2.363 7.985 0.149 814 H PHE 102 H PHE 102 -0.769 9.749 -2.696 815 HA PHE 102 HA PHE 102 -1.128 12.250 -1.135 816 HB2 PHE 102 HB2 PHE 102 0.028 13.566 -2.808 817 HB3 PHE 102 HB3 PHE 102 1.092 12.249 -2.338 818 HD1 PHE 102 HD1 PHE 102 0.887 10.057 -3.912 819 HD2 PHE 102 HD2 PHE 102 -0.149 14.034 -5.106 820 HE1 PHE 102 HE1 PHE 102 1.109 9.418 -6.276 821 HE2 PHE 102 HE2 PHE 102 0.081 13.382 -7.460 822 HZ PHE 102 HZ PHE 102 0.700 11.079 -8.046 823 H SER 103 H SER 103 -3.119 12.947 -1.342 824 HA SER 103 HA SER 103 -4.470 13.006 -3.941 825 HB2 SER 103 HB2 SER 103 -5.700 11.705 -1.480 826 HB3 SER 103 HB3 SER 103 -6.675 12.299 -2.828 827 HG SER 103 HG SER 103 -4.819 10.177 -2.770 828 H GLU 104 H GLU 104 -5.504 14.824 -4.292 829 HA GLU 104 HA GLU 104 -5.411 17.076 -2.587 830 HB2 GLU 104 HB2 GLU 104 -6.757 18.212 -4.307 831 HB3 GLU 104 HB3 GLU 104 -5.456 17.297 -5.043 832 HG2 GLU 104 HG2 GLU 104 -8.297 16.263 -4.918 833 HG3 GLU 104 HG3 GLU 104 -7.703 17.282 -6.221 834 H ALA 105 H ALA 105 -7.171 18.200 -1.559 835 HA ALA 105 HA ALA 105 -8.642 16.787 0.263 836 HB1 ALA 105 HB1 ALA 105 -9.370 19.532 -0.801 837 HB2 ALA 105 HB2 ALA 105 -8.158 19.197 0.434 838 HB3 ALA 105 HB3 ALA 105 -9.860 18.859 0.757 839 H ASP 106 H ASP 106 -9.703 17.562 -2.975 840 HA ASP 106 HA ASP 106 -12.492 17.194 -2.753 841 HB2 ASP 106 HB2 ASP 106 -10.718 16.780 -5.197 842 HB3 ASP 106 HB3 ASP 106 -12.453 17.110 -5.207 843 H GLU 107 H GLU 107 -9.877 14.882 -3.206 844 HA GLU 107 HA GLU 107 -11.755 12.583 -3.353 845 HB2 GLU 107 HB2 GLU 107 -8.821 12.817 -4.193 846 HB3 GLU 107 HB3 GLU 107 -9.717 11.298 -4.173 847 HG2 GLU 107 HG2 GLU 107 -10.437 13.716 -5.864 848 HG3 GLU 107 HG3 GLU 107 -9.534 12.317 -6.439 849 H ALA 108 H ALA 108 -9.211 14.093 -1.523 850 HA ALA 108 HA ALA 108 -8.271 11.843 -0.064 851 HB1 ALA 108 HB1 ALA 108 -7.008 13.448 1.293 852 HB2 ALA 108 HB2 ALA 108 -7.921 14.788 0.584 853 HB3 ALA 108 HB3 ALA 108 -6.855 13.815 -0.427 854 H ASP 109 H ASP 109 -10.661 14.409 0.671 855 HA ASP 109 HA ASP 109 -11.120 13.725 3.382 856 HB2 ASP 109 HB2 ASP 109 -11.890 15.855 2.385 857 HB3 ASP 109 HB3 ASP 109 -13.034 14.982 1.371 858 H ASP 110 H ASP 110 -12.477 12.419 0.374 859 HA ASP 110 HA ASP 110 -14.428 10.691 1.605 860 HB2 ASP 110 HB2 ASP 110 -14.550 11.494 -0.793 861 HB3 ASP 110 HB3 ASP 110 -13.173 10.469 -1.182 862 H LEU 111 H LEU 111 -11.084 10.234 0.414 863 HA LEU 111 HA LEU 111 -10.789 7.474 0.917 864 HB2 LEU 111 HB2 LEU 111 -8.770 9.745 0.853 865 HB3 LEU 111 HB3 LEU 111 -8.284 8.076 1.095 866 HG LEU 111 HG LEU 111 -9.639 9.197 -1.392 867 HD11 LEU 111 HD11 LEU 111 -7.504 8.669 -2.514 868 HD12 LEU 111 HD12 LEU 111 -6.806 8.191 -0.964 869 HD13 LEU 111 HD13 LEU 111 -7.303 9.864 -1.234 870 HD21 LEU 111 HD21 LEU 111 -8.739 6.348 -0.822 871 HD22 LEU 111 HD22 LEU 111 -9.325 6.953 -2.374 872 HD23 LEU 111 HD23 LEU 111 -10.407 6.903 -0.987 873 H LYS 112 H LYS 112 -9.995 10.254 2.994 874 HA LYS 112 HA LYS 112 -9.029 8.846 5.242 875 HB2 LYS 112 HB2 LYS 112 -10.308 11.603 5.069 876 HB3 LYS 112 HB3 LYS 112 -9.519 10.974 6.515 877 HG2 LYS 112 HG2 LYS 112 -7.371 10.877 5.330 878 HG3 LYS 112 HG3 LYS 112 -8.150 11.437 3.843 879 HD2 LYS 112 HD2 LYS 112 -8.744 13.571 4.948 880 HD3 LYS 112 HD3 LYS 112 -7.991 13.017 6.447 881 HE2 LYS 112 HE2 LYS 112 -5.803 12.917 5.281 882 HE3 LYS 112 HE3 LYS 112 -6.572 13.500 3.803 883 HZ1 LYS 112 HZ1 LYS 112 -7.184 15.522 5.025 884 HZ2 LYS 112 HZ2 LYS 112 -5.516 15.299 4.916 885 HZ3 LYS 112 HZ3 LYS 112 -6.315 14.967 6.370 886 H GLU 113 H GLU 113 -12.260 10.175 4.508 887 HA GLU 113 HA GLU 113 -13.553 9.430 6.906 888 HB2 GLU 113 HB2 GLU 113 -14.402 11.100 5.220 889 HB3 GLU 113 HB3 GLU 113 -14.810 9.768 4.146 890 HG2 GLU 113 HG2 GLU 113 -16.382 8.913 5.877 891 HG3 GLU 113 HG3 GLU 113 -16.010 10.316 6.874 892 H LEU 114 H LEU 114 -13.079 7.694 3.852 893 HA LEU 114 HA LEU 114 -14.691 5.415 4.341 894 HB2 LEU 114 HB2 LEU 114 -13.790 6.016 2.108 895 HB3 LEU 114 HB3 LEU 114 -12.161 5.687 2.667 896 HG LEU 114 HG LEU 114 -12.795 3.264 2.969 897 HD11 LEU 114 HD11 LEU 114 -15.204 3.499 3.283 898 HD12 LEU 114 HD12 LEU 114 -14.858 2.407 1.945 899 HD13 LEU 114 HD13 LEU 114 -15.392 4.058 1.616 900 HD21 LEU 114 HD21 LEU 114 -11.627 3.987 0.934 901 HD22 LEU 114 HD22 LEU 114 -13.169 4.343 0.152 902 HD23 LEU 114 HD23 LEU 114 -12.758 2.680 0.578 903 H TRP 115 H TRP 115 -11.160 5.900 4.779 904 HA TRP 115 HA TRP 115 -10.753 3.263 5.858 905 HB2 TRP 115 HB2 TRP 115 -8.920 5.642 5.462 906 HB3 TRP 115 HB3 TRP 115 -8.362 4.135 6.190 907 HD1 TRP 115 HD1 TRP 115 -9.847 2.054 4.254 908 HE1 TRP 115 HE1 TRP 115 -9.005 1.757 1.849 909 HE3 TRP 115 HE3 TRP 115 -7.399 6.511 3.668 910 HZ2 TRP 115 HZ2 TRP 115 -7.502 3.189 -0.050 911 HZ3 TRP 115 HZ3 TRP 115 -6.271 6.961 1.526 912 HH2 TRP 115 HH2 TRP 115 -6.321 5.334 -0.297 913 H ASP 116 H ASP 116 -11.237 6.404 7.367 914 HA ASP 116 HA ASP 116 -10.666 5.584 10.038 915 HB2 ASP 116 HB2 ASP 116 -12.276 7.874 8.855 916 HB3 ASP 116 HB3 ASP 116 -12.244 7.596 10.594 917 H SER 117 H SER 117 -13.628 5.506 8.047 918 HA SER 117 HA SER 117 -15.338 4.330 10.012 919 HB2 SER 117 HB2 SER 117 -15.489 4.151 6.969 920 HB3 SER 117 HB3 SER 117 -16.774 3.648 8.069 921 HG SER 117 HG SER 117 -16.370 6.040 7.066 922 H GLN 118 H GLN 118 -12.961 2.978 7.755 923 HA GLN 118 HA GLN 118 -13.713 0.222 8.090 924 HB2 GLN 118 HB2 GLN 118 -11.181 1.457 6.935 925 HB3 GLN 118 HB3 GLN 118 -11.523 -0.270 6.926 926 HG2 GLN 118 HG2 GLN 118 -13.036 1.903 5.456 927 HG3 GLN 118 HG3 GLN 118 -12.044 0.630 4.754 928 HE21 GLN 118 HE21 GLN 118 -12.854 -1.536 4.813 929 HE22 GLN 118 HE22 GLN 118 -14.542 -1.840 4.964 930 H VAL 119 H VAL 119 -11.151 2.263 9.549 931 HA VAL 119 HA VAL 119 -9.913 0.080 10.957 932 HB VAL 119 HB VAL 119 -8.670 2.171 10.357 933 HG11 VAL 119 HG11 VAL 119 -10.364 3.864 10.906 934 HG12 VAL 119 HG12 VAL 119 -8.848 4.201 11.744 935 HG13 VAL 119 HG13 VAL 119 -10.201 3.488 12.623 936 HG21 VAL 119 HG21 VAL 119 -8.599 1.471 13.317 937 HG22 VAL 119 HG22 VAL 119 -7.320 2.309 12.436 938 HG23 VAL 119 HG23 VAL 119 -7.721 0.639 12.029 939 H SER 120 H SER 120 -12.425 2.438 11.778 940 HA SER 120 HA SER 120 -12.922 1.789 14.463 941 HB2 SER 120 HB2 SER 120 -14.038 3.667 13.303 942 HB3 SER 120 HB3 SER 120 -14.941 2.529 12.301 943 HG SER 120 HG SER 120 -15.616 3.494 14.653 944 H LYS 121 H LYS 121 -14.028 0.154 11.479 945 HA LYS 121 HA LYS 121 -15.596 -1.872 12.758 946 HB2 LYS 121 HB2 LYS 121 -14.248 -1.917 10.017 947 HB3 LYS 121 HB3 LYS 121 -15.438 -3.091 10.579 948 HG2 LYS 121 HG2 LYS 121 -17.126 -1.278 10.737 949 HG3 LYS 121 HG3 LYS 121 -15.928 -0.132 10.124 950 HD2 LYS 121 HD2 LYS 121 -15.738 -1.528 8.041 951 HD3 LYS 121 HD3 LYS 121 -17.035 -2.558 8.654 952 HE2 LYS 121 HE2 LYS 121 -17.941 -0.976 7.047 953 HE3 LYS 121 HE3 LYS 121 -18.551 -0.569 8.651 954 HZ1 LYS 121 HZ1 LYS 121 -16.912 1.186 8.803 955 HZ2 LYS 121 HZ2 LYS 121 -17.846 1.382 7.407 956 HZ3 LYS 121 HZ3 LYS 121 -16.276 0.769 7.291 957 H LEU 122 H LEU 122 -12.224 -1.885 11.485 958 HA LEU 122 HA LEU 122 -11.567 -4.561 12.032 959 HB2 LEU 122 HB2 LEU 122 -9.727 -2.138 11.970 960 HB3 LEU 122 HB3 LEU 122 -9.179 -3.809 11.920 961 HG LEU 122 HG LEU 122 -10.845 -2.426 9.773 962 HD11 LEU 122 HD11 LEU 122 -8.545 -1.598 9.820 963 HD12 LEU 122 HD12 LEU 122 -8.818 -2.580 8.382 964 HD13 LEU 122 HD13 LEU 122 -7.920 -3.250 9.751 965 HD21 LEU 122 HD21 LEU 122 -9.681 -5.235 9.778 966 HD22 LEU 122 HD22 LEU 122 -10.537 -4.466 8.439 967 HD23 LEU 122 HD23 LEU 122 -11.393 -4.831 9.937 968 H ARG 123 H ARG 123 -11.380 -1.707 14.111 969 HA ARG 123 HA ARG 123 -9.912 -2.737 16.272 970 HB2 ARG 123 HB2 ARG 123 -10.561 -0.307 15.714 971 HB3 ARG 123 HB3 ARG 123 -12.109 -0.632 16.470 972 HG2 ARG 123 HG2 ARG 123 -9.754 -1.276 18.172 973 HG3 ARG 123 HG3 ARG 123 -9.890 0.423 17.738 974 HD2 ARG 123 HD2 ARG 123 -10.988 0.151 19.843 975 HD3 ARG 123 HD3 ARG 123 -12.257 0.377 18.639 976 HE ARG 123 HE ARG 123 -11.545 -2.355 19.473 977 HH11 ARG 123 HH11 ARG 123 -13.946 0.137 19.331 978 HH12 ARG 123 HH12 ARG 123 -15.147 -0.855 20.079 979 HH21 ARG 123 HH21 ARG 123 -13.130 -3.583 20.411 980 HH22 ARG 123 HH22 ARG 123 -14.702 -2.909 20.667 981 H ARG 124 H ARG 124 -13.464 -2.648 15.765 982 HA ARG 124 HA ARG 124 -14.028 -4.123 18.214 983 HB2 ARG 124 HB2 ARG 124 -16.375 -3.912 17.611 984 HB3 ARG 124 HB3 ARG 124 -15.566 -2.372 17.352 985 HG2 ARG 124 HG2 ARG 124 -15.449 -2.877 14.912 986 HG3 ARG 124 HG3 ARG 124 -16.370 -4.358 15.202 987 HD2 ARG 124 HD2 ARG 124 -18.248 -2.993 16.075 988 HD3 ARG 124 HD3 ARG 124 -17.314 -1.523 15.758 989 HE ARG 124 HE ARG 124 -18.112 -3.400 13.607 990 HH11 ARG 124 HH11 ARG 124 -17.874 -0.154 14.771 991 HH12 ARG 124 HH12 ARG 124 -18.532 0.507 13.321 992 HH21 ARG 124 HH21 ARG 124 -18.935 -2.536 11.801 993 HH22 ARG 124 HH22 ARG 124 -19.138 -0.827 11.666 994 H THR 125 H THR 125 -13.501 -4.916 14.873 995 HA THR 125 HA THR 125 -14.640 -7.562 14.827 996 HB THR 125 HB THR 125 -12.719 -6.093 12.972 997 HG1 THR 125 HG1 THR 125 -14.956 -5.430 13.084 998 HG21 THR 125 HG21 THR 125 -12.304 -8.532 12.700 999 HG22 THR 125 HG22 THR 125 -13.037 -7.804 11.268 1000 HG23 THR 125 HG23 THR 125 -14.026 -8.769 12.374 1001 H CYS 126 H CYS 126 -11.545 -6.143 15.642 1002 HA CYS 126 HA CYS 126 -9.521 -6.854 16.322 1003 HB2 CYS 126 HB2 CYS 126 -10.859 -7.853 18.168 1004 HB3 CYS 126 HB3 CYS 126 -10.981 -9.354 17.256 1005 HG CYS 126 HG CYS 126 -7.825 -8.631 17.426 1006 H GLY 127 H GLY 127 -10.351 -7.461 13.584 1007 HA2 GLY 127 HA2 GLY 127 -8.285 -9.332 12.793 1008 HA3 GLY 127 HA3 GLY 127 -9.919 -9.937 12.540 1009 H PHE 128 H PHE 128 -8.907 -9.972 10.324 1010 HA PHE 128 HA PHE 128 -8.644 -7.505 8.846 1011 HB2 PHE 128 HB2 PHE 128 -8.164 -8.965 6.908 1012 HB3 PHE 128 HB3 PHE 128 -7.223 -9.451 8.309 1013 HD1 PHE 128 HD1 PHE 128 -7.988 -11.521 9.650 1014 HD2 PHE 128 HD2 PHE 128 -9.606 -10.551 5.803 1015 HE1 PHE 128 HE1 PHE 128 -8.809 -13.825 9.404 1016 HE2 PHE 128 HE2 PHE 128 -10.422 -12.861 5.573 1017 HZ PHE 128 HZ PHE 128 -10.026 -14.497 7.371 1018 H LEU 129 H LEU 129 -9.964 -6.759 7.137 1019 HA LEU 129 HA LEU 129 -12.313 -8.089 6.182 1020 HB2 LEU 129 HB2 LEU 129 -13.155 -7.263 8.400 1021 HB3 LEU 129 HB3 LEU 129 -12.759 -5.622 7.926 1022 HG LEU 129 HG LEU 129 -14.481 -5.698 6.142 1023 HD11 LEU 129 HD11 LEU 129 -16.074 -7.572 5.977 1024 HD12 LEU 129 HD12 LEU 129 -15.116 -8.495 7.137 1025 HD13 LEU 129 HD13 LEU 129 -14.433 -8.067 5.566 1026 HD21 LEU 129 HD21 LEU 129 -15.578 -6.501 8.863 1027 HD22 LEU 129 HD22 LEU 129 -16.478 -5.683 7.583 1028 HD23 LEU 129 HD23 LEU 129 -15.126 -4.867 8.363 1029 H GLU 130 H GLU 130 -11.502 -7.702 4.136 1030 HA GLU 130 HA GLU 130 -11.797 -5.043 2.973 1031 HB2 GLU 130 HB2 GLU 130 -9.313 -5.456 3.967 1032 HB3 GLU 130 HB3 GLU 130 -9.088 -6.331 2.462 1033 HG2 GLU 130 HG2 GLU 130 -9.858 -3.400 2.725 1034 HG3 GLU 130 HG3 GLU 130 -8.251 -4.011 2.348 1035 H HIS 131 H HIS 131 -12.304 -5.195 0.745 1036 HA HIS 131 HA HIS 131 -12.733 -7.969 -0.282 1037 HB2 HIS 131 HB2 HIS 131 -14.595 -5.561 -0.485 1038 HB3 HIS 131 HB3 HIS 131 -14.885 -7.124 -1.242 1039 HD1 HIS 131 HD1 HIS 131 -15.853 -8.963 0.194 1040 HD2 HIS 131 HD2 HIS 131 -14.863 -5.583 2.396 1041 HE1 HIS 131 HE1 HIS 131 -16.864 -9.319 2.459 1042 HE2 HIS 131 HE2 HIS 131 -16.481 -7.157 3.670 1043 H HIS 132 H HIS 132 -10.976 -5.275 -0.978 1044 HA HIS 132 HA HIS 132 -9.905 -4.394 -2.759 1045 HB2 HIS 132 HB2 HIS 132 -10.673 -6.978 -4.171 1046 HB3 HIS 132 HB3 HIS 132 -9.453 -5.842 -4.738 1047 HD1 HIS 132 HD1 HIS 132 -9.774 -8.866 -2.835 1048 HD2 HIS 132 HD2 HIS 132 -7.262 -5.565 -2.700 1049 HE1 HIS 132 HE1 HIS 132 -7.785 -9.599 -1.495 1050 HE2 HIS 132 HE2 HIS 132 -6.372 -7.537 -1.285 1051 H HIS 133 H HIS 133 -10.232 -4.187 -5.432 1052 HA HIS 133 HA HIS 133 -11.335 -3.287 -7.180 1053 HB2 HIS 133 HB2 HIS 133 -13.931 -3.912 -5.708 1054 HB3 HIS 133 HB3 HIS 133 -13.811 -3.398 -7.388 1055 HD1 HIS 133 HD1 HIS 133 -13.952 -6.381 -5.341 1056 HD2 HIS 133 HD2 HIS 133 -12.287 -5.384 -9.021 1057 HE1 HIS 133 HE1 HIS 133 -13.506 -8.569 -6.492 1058 HE2 HIS 133 HE2 HIS 133 -12.442 -7.942 -8.678 1059 H HIS 134 H HIS 134 -11.537 -1.946 -4.074 1060 HA HIS 134 HA HIS 134 -12.831 0.560 -4.877 1061 HB2 HIS 134 HB2 HIS 134 -11.637 -0.191 -2.167 1062 HB3 HIS 134 HB3 HIS 134 -12.723 1.155 -2.512 1063 HD1 HIS 134 HD1 HIS 134 -15.080 0.071 -3.804 1064 HD2 HIS 134 HD2 HIS 134 -13.048 -2.189 -0.965 1065 HE1 HIS 134 HE1 HIS 134 -16.716 -1.661 -3.030 1066 HE2 HIS 134 HE2 HIS 134 -15.510 -2.940 -1.240 1067 H HIS 135 H HIS 135 -11.708 2.408 -5.407 1068 HA HIS 135 HA HIS 135 -8.765 2.498 -4.998 1069 HB2 HIS 135 HB2 HIS 135 -10.209 3.095 -7.623 1070 HB3 HIS 135 HB3 HIS 135 -8.486 3.334 -7.334 1071 HD1 HIS 135 HD1 HIS 135 -11.000 0.745 -8.161 1072 HD2 HIS 135 HD2 HIS 135 -6.981 0.878 -7.111 1073 HE1 HIS 135 HE1 HIS 135 -10.091 -1.524 -8.706 1074 HE2 HIS 135 HE2 HIS 135 -7.628 -1.336 -8.288 1075 H HIS 136 H HIS 136 -11.343 4.576 -6.436 1076 HA HIS 136 HA HIS 136 -11.698 6.797 -6.512 1077 HB2 HIS 136 HB2 HIS 136 -10.427 6.916 -3.749 1078 HB3 HIS 136 HB3 HIS 136 -11.399 8.187 -4.488 1079 HD1 HIS 136 HD1 HIS 136 -11.642 5.158 -2.456 1080 HD2 HIS 136 HD2 HIS 136 -14.203 7.449 -4.778 1081 HE1 HIS 136 HE1 HIS 136 -13.952 4.485 -1.760 1082 HE2 HIS 136 HE2 HIS 136 -15.462 6.045 -3.025 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -5.898 24.040 -3.563 2 H2 MET 1 H2 MET 1 -5.953 23.083 -4.955 3 H3 MET 1 H3 MET 1 -6.682 24.606 -4.950 4 HA MET 1 HA MET 1 -4.606 24.653 -6.159 5 HB2 MET 1 HB2 MET 1 -4.507 26.167 -3.512 6 HB3 MET 1 HB3 MET 1 -3.547 26.562 -4.931 7 HG2 MET 1 HG2 MET 1 -5.587 27.104 -6.175 8 HG3 MET 1 HG3 MET 1 -6.567 26.662 -4.778 9 HE1 MET 1 HE1 MET 1 -3.127 28.665 -4.884 10 HE2 MET 1 HE2 MET 1 -3.731 30.320 -4.882 11 HE3 MET 1 HE3 MET 1 -4.021 29.283 -6.277 12 H LYS 2 H LYS 2 -3.703 24.456 -2.686 13 HA LYS 2 HA LYS 2 -1.183 23.136 -3.341 14 HB2 LYS 2 HB2 LYS 2 -1.250 24.989 -1.695 15 HB3 LYS 2 HB3 LYS 2 -2.325 24.051 -0.660 16 HG2 LYS 2 HG2 LYS 2 -0.562 22.398 -0.270 17 HG3 LYS 2 HG3 LYS 2 0.505 23.229 -1.406 18 HD2 LYS 2 HD2 LYS 2 0.492 25.229 0.096 19 HD3 LYS 2 HD3 LYS 2 -0.509 24.333 1.245 20 HE2 LYS 2 HE2 LYS 2 1.856 24.293 1.922 21 HE3 LYS 2 HE3 LYS 2 1.301 22.669 1.522 22 HZ1 LYS 2 HZ1 LYS 2 2.335 22.935 -0.675 23 HZ2 LYS 2 HZ2 LYS 2 3.461 23.060 0.581 24 HZ3 LYS 2 HZ3 LYS 2 2.926 24.453 -0.213 25 H LYS 3 H LYS 3 -0.923 20.975 -3.302 26 HA LYS 3 HA LYS 3 -3.062 19.169 -2.665 27 HB2 LYS 3 HB2 LYS 3 -0.158 18.382 -3.158 28 HB3 LYS 3 HB3 LYS 3 -1.600 17.397 -3.406 29 HG2 LYS 3 HG2 LYS 3 -0.878 19.865 -4.993 30 HG3 LYS 3 HG3 LYS 3 -0.566 18.206 -5.500 31 HD2 LYS 3 HD2 LYS 3 -2.995 17.765 -5.562 32 HD3 LYS 3 HD3 LYS 3 -3.320 19.416 -5.020 33 HE2 LYS 3 HE2 LYS 3 -2.316 20.311 -7.084 34 HE3 LYS 3 HE3 LYS 3 -1.897 18.679 -7.611 35 HZ1 LYS 3 HZ1 LYS 3 -3.894 19.527 -8.679 36 HZ2 LYS 3 HZ2 LYS 3 -4.657 19.673 -7.179 37 HZ3 LYS 3 HZ3 LYS 3 -4.222 18.143 -7.761 38 H GLU 4 H GLU 4 -3.219 17.715 -1.001 39 HA GLU 4 HA GLU 4 -1.570 18.191 1.410 40 HB2 GLU 4 HB2 GLU 4 -4.034 18.571 1.599 41 HB3 GLU 4 HB3 GLU 4 -4.308 16.870 1.232 42 HG2 GLU 4 HG2 GLU 4 -2.996 16.254 3.257 43 HG3 GLU 4 HG3 GLU 4 -2.809 17.966 3.632 44 H LYS 5 H LYS 5 0.083 16.788 1.425 45 HA LYS 5 HA LYS 5 -0.094 14.003 0.687 46 HB2 LYS 5 HB2 LYS 5 1.984 15.446 0.572 47 HB3 LYS 5 HB3 LYS 5 2.048 15.435 2.325 48 HG2 LYS 5 HG2 LYS 5 2.115 12.851 0.737 49 HG3 LYS 5 HG3 LYS 5 3.577 13.804 0.964 50 HD2 LYS 5 HD2 LYS 5 1.891 12.493 3.138 51 HD3 LYS 5 HD3 LYS 5 3.508 12.015 2.618 52 HE2 LYS 5 HE2 LYS 5 4.259 14.366 3.375 53 HE3 LYS 5 HE3 LYS 5 2.687 14.488 4.168 54 HZ1 LYS 5 HZ1 LYS 5 4.382 13.747 5.676 55 HZ2 LYS 5 HZ2 LYS 5 4.757 12.434 4.680 56 HZ3 LYS 5 HZ3 LYS 5 3.252 12.514 5.443 57 H ILE 6 H ILE 6 -0.314 12.235 2.110 58 HA ILE 6 HA ILE 6 -1.181 12.773 4.881 59 HB ILE 6 HB ILE 6 -3.234 11.434 4.603 60 HG12 ILE 6 HG12 ILE 6 -2.375 11.252 1.683 61 HG13 ILE 6 HG13 ILE 6 -2.626 9.924 2.821 62 HG21 ILE 6 HG21 ILE 6 -3.408 13.879 4.345 63 HG22 ILE 6 HG22 ILE 6 -4.597 13.054 3.339 64 HG23 ILE 6 HG23 ILE 6 -3.140 13.729 2.605 65 HD11 ILE 6 HD11 ILE 6 -4.736 11.699 1.619 66 HD12 ILE 6 HD12 ILE 6 -5.032 10.459 2.843 67 HD13 ILE 6 HD13 ILE 6 -4.414 10.004 1.253 68 H HIS 7 H HIS 7 -1.736 10.650 5.998 69 HA HIS 7 HA HIS 7 -0.127 8.352 5.222 70 HB2 HIS 7 HB2 HIS 7 0.987 8.228 7.491 71 HB3 HIS 7 HB3 HIS 7 1.550 9.554 6.486 72 HD1 HIS 7 HD1 HIS 7 0.128 8.823 9.779 73 HD2 HIS 7 HD2 HIS 7 0.540 12.162 7.339 74 HE1 HIS 7 HE1 HIS 7 -0.295 10.793 11.272 75 HE2 HIS 7 HE2 HIS 7 0.036 12.802 9.795 76 H LEU 8 H LEU 8 -1.634 6.765 5.313 77 HA LEU 8 HA LEU 8 -3.800 6.852 7.287 78 HB2 LEU 8 HB2 LEU 8 -3.464 5.059 4.842 79 HB3 LEU 8 HB3 LEU 8 -4.846 5.041 5.915 80 HG LEU 8 HG LEU 8 -5.588 6.203 4.011 81 HD11 LEU 8 HD11 LEU 8 -6.082 8.469 4.729 82 HD12 LEU 8 HD12 LEU 8 -4.816 8.383 5.956 83 HD13 LEU 8 HD13 LEU 8 -6.232 7.335 6.072 84 HD21 LEU 8 HD21 LEU 8 -3.061 7.879 4.011 85 HD22 LEU 8 HD22 LEU 8 -4.410 8.025 2.880 86 HD23 LEU 8 HD23 LEU 8 -3.439 6.556 2.904 87 H GLU 9 H GLU 9 -3.464 5.765 9.110 88 HA GLU 9 HA GLU 9 -1.574 3.492 9.273 89 HB2 GLU 9 HB2 GLU 9 -1.263 5.600 10.680 90 HB3 GLU 9 HB3 GLU 9 -2.744 5.194 11.531 91 HG2 GLU 9 HG2 GLU 9 -0.317 3.375 11.457 92 HG3 GLU 9 HG3 GLU 9 -0.532 4.629 12.672 93 H TYR 10 H TYR 10 -2.463 1.501 9.368 94 HA TYR 10 HA TYR 10 -5.299 1.135 10.144 95 HB2 TYR 10 HB2 TYR 10 -3.639 -0.509 8.189 96 HB3 TYR 10 HB3 TYR 10 -5.310 -0.832 8.620 97 HD1 TYR 10 HD1 TYR 10 -7.091 0.937 7.976 98 HD2 TYR 10 HD2 TYR 10 -3.128 0.945 6.363 99 HE1 TYR 10 HE1 TYR 10 -7.868 2.270 6.067 100 HE2 TYR 10 HE2 TYR 10 -3.908 2.289 4.458 101 HH TYR 10 HH TYR 10 -6.205 2.618 3.260 102 H LEU 11 H LEU 11 -5.834 -0.473 11.624 103 HA LEU 11 HA LEU 11 -3.682 -1.960 12.946 104 HB2 LEU 11 HB2 LEU 11 -5.216 -2.530 14.696 105 HB3 LEU 11 HB3 LEU 11 -5.406 -0.825 14.353 106 HG LEU 11 HG LEU 11 -7.362 -2.963 13.389 107 HD11 LEU 11 HD11 LEU 11 -7.366 -2.911 15.832 108 HD12 LEU 11 HD12 LEU 11 -8.867 -2.255 15.183 109 HD13 LEU 11 HD13 LEU 11 -7.627 -1.165 15.812 110 HD21 LEU 11 HD21 LEU 11 -8.901 -1.104 12.979 111 HD22 LEU 11 HD22 LEU 11 -7.421 -0.912 12.042 112 HD23 LEU 11 HD23 LEU 11 -7.669 0.052 13.499 113 H LEU 12 H LEU 12 -3.020 -3.762 11.890 114 HA LEU 12 HA LEU 12 -5.056 -5.616 10.767 115 HB2 LEU 12 HB2 LEU 12 -2.347 -4.805 9.770 116 HB3 LEU 12 HB3 LEU 12 -2.800 -6.475 9.513 117 HG LEU 12 HG LEU 12 -3.296 -5.148 7.527 118 HD11 LEU 12 HD11 LEU 12 -5.633 -5.774 7.165 119 HD12 LEU 12 HD12 LEU 12 -5.853 -6.025 8.900 120 HD13 LEU 12 HD13 LEU 12 -4.748 -7.057 7.988 121 HD21 LEU 12 HD21 LEU 12 -5.181 -3.501 9.240 122 HD22 LEU 12 HD22 LEU 12 -4.953 -3.358 7.493 123 HD23 LEU 12 HD23 LEU 12 -3.632 -2.958 8.587 124 H ASN 13 H ASN 13 -4.867 -7.806 11.032 125 HA ASN 13 HA ASN 13 -3.724 -8.786 13.496 126 HB2 ASN 13 HB2 ASN 13 -5.966 -9.482 12.539 127 HB3 ASN 13 HB3 ASN 13 -5.118 -10.326 11.255 128 HD21 ASN 13 HD21 ASN 13 -6.978 -11.341 13.272 129 HD22 ASN 13 HD22 ASN 13 -6.141 -12.594 14.112 130 H ALA 14 H ALA 14 -2.050 -10.299 13.731 131 HA ALA 14 HA ALA 14 0.075 -10.294 11.749 132 HB1 ALA 14 HB1 ALA 14 1.408 -11.337 13.530 133 HB2 ALA 14 HB2 ALA 14 -0.045 -11.526 14.519 134 HB3 ALA 14 HB3 ALA 14 0.548 -9.915 14.118 135 H THR 15 H THR 15 -2.439 -11.968 11.273 136 HA THR 15 HA THR 15 -1.663 -14.706 11.158 137 HB THR 15 HB THR 15 -4.015 -14.211 11.045 138 HG1 THR 15 HG1 THR 15 -4.567 -15.397 9.158 139 HG21 THR 15 HG21 THR 15 -5.083 -13.032 9.152 140 HG22 THR 15 HG22 THR 15 -3.495 -12.683 8.468 141 HG23 THR 15 HG23 THR 15 -3.964 -11.970 10.015 142 H SER 16 H SER 16 -1.536 -12.087 8.707 143 HA SER 16 HA SER 16 0.293 -13.718 7.029 144 HB2 SER 16 HB2 SER 16 -1.460 -11.359 6.221 145 HB3 SER 16 HB3 SER 16 -0.365 -12.226 5.139 146 HG SER 16 HG SER 16 -1.821 -13.696 4.923 147 H LYS 17 H LYS 17 0.120 -10.932 9.040 148 HA LYS 17 HA LYS 17 1.704 -9.559 9.879 149 HB2 LYS 17 HB2 LYS 17 3.673 -11.476 8.571 150 HB3 LYS 17 HB3 LYS 17 4.050 -10.340 9.862 151 HG2 LYS 17 HG2 LYS 17 2.730 -11.574 11.448 152 HG3 LYS 17 HG3 LYS 17 2.036 -12.584 10.172 153 HD2 LYS 17 HD2 LYS 17 4.326 -13.501 9.717 154 HD3 LYS 17 HD3 LYS 17 4.941 -12.563 11.082 155 HE2 LYS 17 HE2 LYS 17 3.547 -13.833 12.630 156 HE3 LYS 17 HE3 LYS 17 2.782 -14.695 11.291 157 HZ1 LYS 17 HZ1 LYS 17 4.935 -15.651 10.744 158 HZ2 LYS 17 HZ2 LYS 17 4.479 -16.034 12.328 159 HZ3 LYS 17 HZ3 LYS 17 5.650 -14.844 12.045 160 H ASN 18 H ASN 18 4.314 -9.845 7.679 161 HA ASN 18 HA ASN 18 3.962 -7.223 6.590 162 HB2 ASN 18 HB2 ASN 18 6.131 -7.613 5.501 163 HB3 ASN 18 HB3 ASN 18 6.186 -8.155 7.176 164 HD21 ASN 18 HD21 ASN 18 6.259 -10.419 7.602 165 HD22 ASN 18 HD22 ASN 18 6.763 -11.537 6.391 166 H ILE 19 H ILE 19 3.269 -10.438 5.449 167 HA ILE 19 HA ILE 19 3.665 -10.131 2.668 168 HB ILE 19 HB ILE 19 1.917 -12.145 4.089 169 HG12 ILE 19 HG12 ILE 19 4.867 -12.503 3.402 170 HG13 ILE 19 HG13 ILE 19 4.333 -11.912 4.969 171 HG21 ILE 19 HG21 ILE 19 3.316 -12.362 1.394 172 HG22 ILE 19 HG22 ILE 19 1.575 -12.213 1.652 173 HG23 ILE 19 HG23 ILE 19 2.423 -13.664 2.187 174 HD11 ILE 19 HD11 ILE 19 3.713 -14.605 3.778 175 HD12 ILE 19 HD12 ILE 19 3.131 -14.009 5.337 176 HD13 ILE 19 HD13 ILE 19 4.857 -14.244 5.071 177 H LEU 20 H LEU 20 0.973 -9.287 4.649 178 HA LEU 20 HA LEU 20 -1.249 -9.054 3.098 179 HB2 LEU 20 HB2 LEU 20 -0.021 -6.991 4.969 180 HB3 LEU 20 HB3 LEU 20 -1.667 -6.846 4.352 181 HG LEU 20 HG LEU 20 -0.716 -9.233 6.008 182 HD11 LEU 20 HD11 LEU 20 -0.477 -7.203 7.354 183 HD12 LEU 20 HD12 LEU 20 -1.789 -8.218 7.951 184 HD13 LEU 20 HD13 LEU 20 -2.155 -6.766 7.016 185 HD21 LEU 20 HD21 LEU 20 -2.711 -9.665 4.625 186 HD22 LEU 20 HD22 LEU 20 -3.524 -8.269 5.338 187 HD23 LEU 20 HD23 LEU 20 -3.114 -9.662 6.342 188 H TRP 21 H TRP 21 1.206 -6.434 3.238 189 HA TRP 21 HA TRP 21 0.506 -5.629 0.488 190 HB2 TRP 21 HB2 TRP 21 1.700 -4.162 2.819 191 HB3 TRP 21 HB3 TRP 21 2.085 -3.604 1.196 192 HD1 TRP 21 HD1 TRP 21 -0.890 -3.881 3.627 193 HE1 TRP 21 HE1 TRP 21 -2.765 -2.340 2.777 194 HE3 TRP 21 HE3 TRP 21 1.093 -2.612 -0.918 195 HZ2 TRP 21 HZ2 TRP 21 -3.331 -0.793 0.481 196 HZ3 TRP 21 HZ3 TRP 21 -0.180 -1.095 -2.384 197 HH2 TRP 21 HH2 TRP 21 -2.350 -0.203 -1.696 198 H SER 22 H SER 22 3.121 -7.177 2.225 199 HA SER 22 HA SER 22 5.343 -6.267 0.728 200 HB2 SER 22 HB2 SER 22 6.655 -7.852 1.844 201 HB3 SER 22 HB3 SER 22 5.266 -7.779 2.927 202 HG SER 22 HG SER 22 5.765 -9.905 2.529 203 H ALA 23 H ALA 23 2.877 -8.457 -0.130 204 HA ALA 23 HA ALA 23 3.885 -10.107 -2.093 205 HB1 ALA 23 HB1 ALA 23 1.221 -8.661 -2.084 206 HB2 ALA 23 HB2 ALA 23 1.581 -10.165 -1.236 207 HB3 ALA 23 HB3 ALA 23 1.600 -10.123 -3.000 208 H ILE 24 H ILE 24 3.311 -6.622 -2.317 209 HA ILE 24 HA ILE 24 3.301 -6.372 -5.151 210 HB ILE 24 HB ILE 24 3.666 -3.927 -4.805 211 HG12 ILE 24 HG12 ILE 24 4.080 -4.750 -1.901 212 HG13 ILE 24 HG13 ILE 24 5.190 -3.860 -2.927 213 HG21 ILE 24 HG21 ILE 24 1.564 -3.474 -3.618 214 HG22 ILE 24 HG22 ILE 24 1.568 -5.108 -2.954 215 HG23 ILE 24 HG23 ILE 24 1.391 -4.865 -4.693 216 HD11 ILE 24 HD11 ILE 24 3.601 -1.944 -2.876 217 HD12 ILE 24 HD12 ILE 24 4.238 -2.397 -1.297 218 HD13 ILE 24 HD13 ILE 24 2.601 -2.863 -1.744 219 H SER 25 H SER 25 5.942 -6.689 -2.889 220 HA SER 25 HA SER 25 8.011 -5.507 -4.485 221 HB2 SER 25 HB2 SER 25 9.566 -6.444 -2.889 222 HB3 SER 25 HB3 SER 25 8.136 -5.944 -1.992 223 HG SER 25 HG SER 25 7.856 -7.932 -1.401 224 H THR 26 H THR 26 6.581 -8.725 -4.349 225 HA THR 26 HA THR 26 8.438 -9.740 -6.412 226 HB THR 26 HB THR 26 7.359 -11.982 -6.024 227 HG1 THR 26 HG1 THR 26 6.255 -11.070 -3.606 228 HG21 THR 26 HG21 THR 26 9.463 -11.453 -4.894 229 HG22 THR 26 HG22 THR 26 8.441 -12.442 -3.850 230 HG23 THR 26 HG23 THR 26 8.587 -10.708 -3.550 231 HA PRO 27 HA PRO 27 5.353 -9.349 -9.734 232 HB2 PRO 27 HB2 PRO 27 6.150 -11.668 -11.138 233 HB3 PRO 27 HB3 PRO 27 6.840 -10.054 -11.340 234 HG2 PRO 27 HG2 PRO 27 7.828 -12.347 -9.636 235 HG3 PRO 27 HG3 PRO 27 8.751 -11.239 -10.682 236 HD2 PRO 27 HD2 PRO 27 8.734 -10.896 -8.046 237 HD3 PRO 27 HD3 PRO 27 8.622 -9.482 -9.114 238 H THR 28 H THR 28 5.885 -12.846 -8.992 239 HA THR 28 HA THR 28 3.315 -13.745 -9.446 240 HB THR 28 HB THR 28 5.173 -15.287 -9.288 241 HG1 THR 28 HG1 THR 28 3.148 -16.198 -8.833 242 HG21 THR 28 HG21 THR 28 6.202 -15.938 -7.138 243 HG22 THR 28 HG22 THR 28 5.260 -14.703 -6.303 244 HG23 THR 28 HG23 THR 28 6.483 -14.228 -7.483 245 H GLY 29 H GLY 29 4.523 -12.265 -6.468 246 HA2 GLY 29 HA2 GLY 29 2.252 -12.895 -4.807 247 HA3 GLY 29 HA3 GLY 29 3.488 -11.687 -4.484 248 H LEU 30 H LEU 30 3.159 -10.163 -6.851 249 HA LEU 30 HA LEU 30 1.240 -8.270 -5.995 250 HB2 LEU 30 HB2 LEU 30 3.472 -8.201 -7.576 251 HB3 LEU 30 HB3 LEU 30 2.252 -8.145 -8.828 252 HG LEU 30 HG LEU 30 2.447 -6.140 -6.543 253 HD11 LEU 30 HD11 LEU 30 3.416 -5.814 -9.397 254 HD12 LEU 30 HD12 LEU 30 4.436 -5.978 -7.966 255 HD13 LEU 30 HD13 LEU 30 3.405 -4.563 -8.147 256 HD21 LEU 30 HD21 LEU 30 0.198 -6.294 -7.456 257 HD22 LEU 30 HD22 LEU 30 0.818 -6.033 -9.090 258 HD23 LEU 30 HD23 LEU 30 0.944 -4.753 -7.878 259 H GLU 31 H GLU 31 1.153 -10.696 -8.593 260 HA GLU 31 HA GLU 31 -1.373 -9.792 -9.694 261 HB2 GLU 31 HB2 GLU 31 -1.171 -11.745 -11.218 262 HB3 GLU 31 HB3 GLU 31 0.290 -10.762 -11.177 263 HG2 GLU 31 HG2 GLU 31 1.361 -12.404 -9.663 264 HG3 GLU 31 HG3 GLU 31 -0.101 -13.394 -9.716 265 H ASP 32 H ASP 32 -0.711 -11.685 -6.932 266 HA ASP 32 HA ASP 32 -2.855 -13.554 -6.998 267 HB2 ASP 32 HB2 ASP 32 -1.335 -12.270 -4.705 268 HB3 ASP 32 HB3 ASP 32 -2.669 -13.370 -4.393 269 H TRP 33 H TRP 33 -2.931 -10.112 -6.611 270 HA TRP 33 HA TRP 33 -5.723 -10.127 -5.705 271 HB2 TRP 33 HB2 TRP 33 -5.214 -8.482 -3.863 272 HB3 TRP 33 HB3 TRP 33 -4.589 -10.098 -3.588 273 HD1 TRP 33 HD1 TRP 33 -1.762 -9.957 -5.002 274 HE1 TRP 33 HE1 TRP 33 0.094 -8.483 -4.040 275 HE3 TRP 33 HE3 TRP 33 -4.628 -6.685 -2.297 276 HZ2 TRP 33 HZ2 TRP 33 0.343 -6.256 -2.347 277 HZ3 TRP 33 HZ3 TRP 33 -3.485 -4.918 -1.014 278 HH2 TRP 33 HH2 TRP 33 -1.050 -4.707 -1.038 279 H PHE 34 H PHE 34 -3.007 -8.200 -6.968 280 HA PHE 34 HA PHE 34 -4.611 -5.825 -7.354 281 HB2 PHE 34 HB2 PHE 34 -2.190 -5.690 -6.876 282 HB3 PHE 34 HB3 PHE 34 -1.832 -6.498 -8.393 283 HD1 PHE 34 HD2 PHE 34 -3.518 -3.410 -7.051 284 HD2 PHE 34 HD1 PHE 34 -1.373 -5.173 -10.311 285 HE1 PHE 34 HE2 PHE 34 -3.394 -1.225 -8.169 286 HE2 PHE 34 HE1 PHE 34 -1.245 -2.979 -11.412 287 HZ PHE 34 HZ PHE 34 -2.262 -1.003 -10.347 288 H ALA 35 H ALA 35 -2.814 -7.722 -9.854 289 HA ALA 35 HA ALA 35 -4.934 -7.048 -11.843 290 HB1 ALA 35 HB1 ALA 35 -2.815 -5.827 -12.244 291 HB2 ALA 35 HB2 ALA 35 -3.167 -6.954 -13.555 292 HB3 ALA 35 HB3 ALA 35 -1.946 -7.361 -12.345 293 H ASP 36 H ASP 36 -4.866 -8.574 -13.806 294 HA ASP 36 HA ASP 36 -5.465 -11.225 -13.105 295 HB2 ASP 36 HB2 ASP 36 -4.649 -10.141 -15.839 296 HB3 ASP 36 HB3 ASP 36 -5.457 -11.681 -15.558 297 H LYS 37 H LYS 37 -2.645 -10.059 -14.946 298 HA LYS 37 HA LYS 37 -0.890 -12.115 -13.804 299 HB2 LYS 37 HB2 LYS 37 -1.880 -13.084 -15.924 300 HB3 LYS 37 HB3 LYS 37 -1.234 -11.718 -16.823 301 HG2 LYS 37 HG2 LYS 37 0.279 -13.504 -17.191 302 HG3 LYS 37 HG3 LYS 37 1.085 -12.442 -16.027 303 HD2 LYS 37 HD2 LYS 37 0.246 -13.970 -14.183 304 HD3 LYS 37 HD3 LYS 37 -0.355 -15.064 -15.435 305 HE2 LYS 37 HE2 LYS 37 1.766 -15.905 -14.686 306 HE3 LYS 37 HE3 LYS 37 2.021 -15.227 -16.295 307 HZ1 LYS 37 HZ1 LYS 37 2.970 -13.270 -15.313 308 HZ2 LYS 37 HZ2 LYS 37 3.763 -14.627 -14.695 309 HZ3 LYS 37 HZ3 LYS 37 2.614 -13.814 -13.754 310 H VAL 38 H VAL 38 1.002 -11.076 -13.252 311 HA VAL 38 HA VAL 38 1.769 -8.667 -14.812 312 HB VAL 38 HB VAL 38 2.903 -7.743 -12.886 313 HG11 VAL 38 HG11 VAL 38 0.106 -8.634 -12.078 314 HG12 VAL 38 HG12 VAL 38 0.494 -7.247 -13.098 315 HG13 VAL 38 HG13 VAL 38 0.990 -7.256 -11.405 316 HG21 VAL 38 HG21 VAL 38 2.079 -10.217 -11.324 317 HG22 VAL 38 HG22 VAL 38 2.805 -8.768 -10.624 318 HG23 VAL 38 HG23 VAL 38 3.726 -9.751 -11.762 319 H VAL 39 H VAL 39 3.426 -8.943 -16.100 320 HA VAL 39 HA VAL 39 5.501 -10.980 -15.568 321 HB VAL 39 HB VAL 39 5.003 -9.273 -18.061 322 HG11 VAL 39 HG11 VAL 39 6.921 -11.619 -17.697 323 HG12 VAL 39 HG12 VAL 39 7.379 -9.925 -17.897 324 HG13 VAL 39 HG13 VAL 39 6.593 -10.787 -19.221 325 HG21 VAL 39 HG21 VAL 39 4.333 -12.209 -17.575 326 HG22 VAL 39 HG22 VAL 39 4.136 -11.352 -19.106 327 HG23 VAL 39 HG23 VAL 39 3.170 -10.886 -17.705 328 H SER 40 H SER 40 7.262 -10.259 -14.462 329 HA SER 40 HA SER 40 7.949 -7.385 -14.507 330 HB2 SER 40 HB2 SER 40 7.698 -8.442 -12.284 331 HB3 SER 40 HB3 SER 40 8.975 -9.596 -12.675 332 HG SER 40 HG SER 40 9.991 -8.003 -11.578 333 H ASP 41 H ASP 41 9.807 -6.604 -15.285 334 HA ASP 41 HA ASP 41 11.667 -7.968 -16.885 335 HB2 ASP 41 HB2 ASP 41 11.340 -5.537 -16.995 336 HB3 ASP 41 HB3 ASP 41 11.843 -5.349 -15.322 337 H ASP 42 H ASP 42 11.891 -6.818 -13.542 338 HA ASP 42 HA ASP 42 13.158 -8.749 -12.135 339 HB2 ASP 42 HB2 ASP 42 15.052 -8.624 -13.820 340 HB3 ASP 42 HB3 ASP 42 15.315 -6.945 -13.379 341 H LYS 43 H LYS 43 13.451 -5.391 -13.014 342 HA LYS 43 HA LYS 43 13.358 -4.396 -10.223 343 HB2 LYS 43 HB2 LYS 43 14.691 -2.415 -11.253 344 HB3 LYS 43 HB3 LYS 43 15.548 -3.944 -11.056 345 HG2 LYS 43 HG2 LYS 43 15.100 -4.473 -13.457 346 HG3 LYS 43 HG3 LYS 43 14.355 -2.883 -13.644 347 HD2 LYS 43 HD2 LYS 43 16.447 -1.765 -13.282 348 HD3 LYS 43 HD3 LYS 43 17.225 -3.247 -12.716 349 HE2 LYS 43 HE2 LYS 43 17.868 -2.588 -15.055 350 HE3 LYS 43 HE3 LYS 43 17.175 -4.204 -14.938 351 HZ1 LYS 43 HZ1 LYS 43 16.351 -2.853 -16.828 352 HZ2 LYS 43 HZ2 LYS 43 15.618 -1.805 -15.727 353 HZ3 LYS 43 HZ3 LYS 43 15.126 -3.424 -15.811 354 H THR 44 H THR 44 11.723 -4.552 -13.148 355 HA THR 44 HA THR 44 9.855 -2.386 -12.391 356 HB THR 44 HB THR 44 10.702 -3.018 -15.259 357 HG1 THR 44 HG1 THR 44 11.483 -0.789 -15.146 358 HG21 THR 44 HG21 THR 44 9.294 -1.081 -15.904 359 HG22 THR 44 HG22 THR 44 8.784 -0.892 -14.228 360 HG23 THR 44 HG23 THR 44 8.320 -2.337 -15.131 361 H VAL 45 H VAL 45 7.806 -3.199 -12.194 362 HA VAL 45 HA VAL 45 7.164 -5.871 -13.253 363 HB VAL 45 HB VAL 45 5.551 -4.191 -11.276 364 HG11 VAL 45 HG11 VAL 45 4.181 -5.864 -12.454 365 HG12 VAL 45 HG12 VAL 45 4.399 -6.338 -10.770 366 HG13 VAL 45 HG13 VAL 45 5.333 -7.136 -12.036 367 HG21 VAL 45 HG21 VAL 45 7.520 -6.444 -10.683 368 HG22 VAL 45 HG22 VAL 45 6.471 -5.660 -9.498 369 HG23 VAL 45 HG23 VAL 45 7.746 -4.734 -10.293 370 H THR 46 H THR 46 5.950 -6.057 -15.059 371 HA THR 46 HA THR 46 4.459 -3.734 -16.126 372 HB THR 46 HB THR 46 4.843 -6.340 -17.668 373 HG1 THR 46 HG1 THR 46 6.838 -4.462 -17.015 374 HG21 THR 46 HG21 THR 46 3.433 -4.543 -18.648 375 HG22 THR 46 HG22 THR 46 4.885 -4.832 -19.612 376 HG23 THR 46 HG23 THR 46 4.789 -3.424 -18.548 377 H PHE 47 H PHE 47 2.311 -3.706 -15.555 378 HA PHE 47 HA PHE 47 0.923 -6.086 -14.617 379 HB2 PHE 47 HB2 PHE 47 -0.327 -3.348 -15.053 380 HB3 PHE 47 HB3 PHE 47 -0.851 -4.616 -13.949 381 HD1 PHE 47 HD1 PHE 47 1.033 -5.279 -12.118 382 HD2 PHE 47 HD2 PHE 47 0.765 -1.517 -14.128 383 HE1 PHE 47 HE1 PHE 47 2.260 -4.207 -10.282 384 HE2 PHE 47 HE2 PHE 47 1.993 -0.453 -12.280 385 HZ PHE 47 HZ PHE 47 2.745 -1.795 -10.356 386 H CYS 48 H CYS 48 0.295 -7.477 -16.214 387 HA CYS 48 HA CYS 48 -0.753 -6.470 -18.779 388 HB2 CYS 48 HB2 CYS 48 1.037 -8.135 -18.916 389 HB3 CYS 48 HB3 CYS 48 0.106 -9.263 -17.935 390 HG CYS 48 HG CYS 48 0.296 -9.491 -20.988 391 H TRP 49 H TRP 49 -2.899 -6.117 -18.788 392 HA TRP 49 HA TRP 49 -4.773 -7.974 -17.451 393 HB2 TRP 49 HB2 TRP 49 -5.263 -5.259 -18.756 394 HB3 TRP 49 HB3 TRP 49 -6.494 -6.236 -17.960 395 HD1 TRP 49 HD1 TRP 49 -6.202 -6.555 -15.229 396 HE1 TRP 49 HE1 TRP 49 -5.215 -4.952 -13.488 397 HE3 TRP 49 HE3 TRP 49 -3.506 -3.520 -18.344 398 HZ2 TRP 49 HZ2 TRP 49 -3.519 -2.710 -13.415 399 HZ3 TRP 49 HZ3 TRP 49 -2.228 -1.667 -17.354 400 HH2 TRP 49 HH2 TRP 49 -2.233 -1.266 -14.942 401 H GLY 50 H GLY 50 -3.301 -7.671 -20.447 402 HA2 GLY 50 HA2 GLY 50 -4.560 -9.739 -21.705 403 HA3 GLY 50 HA3 GLY 50 -5.531 -8.346 -22.160 404 H LYS 51 H LYS 51 -5.064 -8.032 -24.253 405 HA LYS 51 HA LYS 51 -2.695 -8.929 -25.522 406 HB2 LYS 51 HB2 LYS 51 -4.958 -8.854 -26.558 407 HB3 LYS 51 HB3 LYS 51 -4.858 -7.099 -26.633 408 HG2 LYS 51 HG2 LYS 51 -2.942 -7.270 -28.184 409 HG3 LYS 51 HG3 LYS 51 -3.013 -9.032 -28.080 410 HD2 LYS 51 HD2 LYS 51 -5.177 -7.213 -29.226 411 HD3 LYS 51 HD3 LYS 51 -4.074 -8.235 -30.154 412 HE2 LYS 51 HE2 LYS 51 -6.218 -9.197 -28.219 413 HE3 LYS 51 HE3 LYS 51 -6.280 -9.295 -29.979 414 HZ1 LYS 51 HZ1 LYS 51 -4.346 -10.771 -29.903 415 HZ2 LYS 51 HZ2 LYS 51 -5.655 -11.406 -29.042 416 HZ3 LYS 51 HZ3 LYS 51 -4.355 -10.713 -28.213 417 H THR 52 H THR 52 -3.846 -5.532 -25.936 418 HA THR 52 HA THR 52 -1.054 -4.566 -25.862 419 HB THR 52 HB THR 52 -3.495 -2.898 -26.643 420 HG1 THR 52 HG1 THR 52 -2.683 -3.581 -28.872 421 HG21 THR 52 HG21 THR 52 -1.374 -1.643 -26.344 422 HG22 THR 52 HG22 THR 52 -1.851 -1.666 -28.041 423 HG23 THR 52 HG23 THR 52 -0.561 -2.731 -27.475 424 H GLU 53 H GLU 53 -2.721 -5.351 -23.484 425 HA GLU 53 HA GLU 53 -3.012 -2.826 -21.974 426 HB2 GLU 53 HB2 GLU 53 -4.080 -5.632 -21.413 427 HB3 GLU 53 HB3 GLU 53 -4.417 -4.199 -20.443 428 HG2 GLU 53 HG2 GLU 53 -5.761 -3.226 -22.133 429 HG3 GLU 53 HG3 GLU 53 -5.148 -4.312 -23.377 430 H GLN 54 H GLN 54 -0.752 -2.572 -21.516 431 HA GLN 54 HA GLN 54 0.155 -4.099 -19.199 432 HB2 GLN 54 HB2 GLN 54 2.406 -4.541 -20.130 433 HB3 GLN 54 HB3 GLN 54 1.154 -5.376 -21.035 434 HG2 GLN 54 HG2 GLN 54 1.320 -3.773 -22.853 435 HG3 GLN 54 HG3 GLN 54 2.441 -2.779 -21.927 436 HE21 GLN 54 HE21 GLN 54 4.024 -2.911 -23.536 437 HE22 GLN 54 HE22 GLN 54 4.934 -4.352 -23.813 438 H ARG 55 H ARG 55 0.890 -2.733 -17.689 439 HA ARG 55 HA ARG 55 1.851 -0.014 -18.442 440 HB2 ARG 55 HB2 ARG 55 -0.096 -0.914 -16.315 441 HB3 ARG 55 HB3 ARG 55 0.952 0.434 -15.913 442 HG2 ARG 55 HG2 ARG 55 -1.274 1.157 -16.739 443 HG3 ARG 55 HG3 ARG 55 0.052 1.774 -17.722 444 HD2 ARG 55 HD2 ARG 55 -0.408 0.111 -19.452 445 HD3 ARG 55 HD3 ARG 55 -1.646 -0.640 -18.450 446 HE ARG 55 HE ARG 55 -3.111 1.077 -18.963 447 HH11 ARG 55 HH11 ARG 55 -0.012 1.908 -20.290 448 HH12 ARG 55 HH12 ARG 55 -0.701 3.032 -21.404 449 HH21 ARG 55 HH21 ARG 55 -3.921 2.504 -20.417 450 HH22 ARG 55 HH22 ARG 55 -2.860 3.360 -21.477 451 H GLN 56 H GLN 56 3.926 0.373 -17.879 452 HA GLN 56 HA GLN 56 5.465 -1.471 -16.249 453 HB2 GLN 56 HB2 GLN 56 6.241 1.162 -17.591 454 HB3 GLN 56 HB3 GLN 56 7.376 0.063 -16.818 455 HG2 GLN 56 HG2 GLN 56 5.630 -0.880 -19.099 456 HG3 GLN 56 HG3 GLN 56 7.129 0.002 -19.406 457 HE21 GLN 56 HE21 GLN 56 7.981 -1.855 -20.475 458 HE22 GLN 56 HE22 GLN 56 8.531 -3.230 -19.588 459 H ALA 57 H ALA 57 6.141 -1.183 -14.143 460 HA ALA 57 HA ALA 57 6.264 1.501 -12.952 461 HB1 ALA 57 HB1 ALA 57 5.085 0.815 -10.904 462 HB2 ALA 57 HB2 ALA 57 4.769 -0.778 -11.600 463 HB3 ALA 57 HB3 ALA 57 4.027 0.657 -12.310 464 H GLY 58 H GLY 58 8.273 1.689 -12.176 465 HA2 GLY 58 HA2 GLY 58 9.849 -0.681 -11.384 466 HA3 GLY 58 HA3 GLY 58 10.474 0.916 -11.773 467 H ILE 59 H ILE 59 11.053 -0.727 -9.418 468 HA ILE 59 HA ILE 59 9.756 0.477 -7.131 469 HB ILE 59 HB ILE 59 12.338 -1.177 -7.212 470 HG12 ILE 59 HG12 ILE 59 10.801 -2.968 -6.108 471 HG13 ILE 59 HG13 ILE 59 9.449 -1.988 -6.651 472 HG21 ILE 59 HG21 ILE 59 12.066 -1.438 -4.749 473 HG22 ILE 59 HG22 ILE 59 10.695 -0.325 -4.786 474 HG23 ILE 59 HG23 ILE 59 12.309 0.250 -5.209 475 HD11 ILE 59 HD11 ILE 59 11.504 -3.318 -8.426 476 HD12 ILE 59 HD12 ILE 59 10.133 -2.347 -8.974 477 HD13 ILE 59 HD13 ILE 59 9.854 -3.865 -8.123 478 H VAL 60 H VAL 60 10.358 2.330 -6.049 479 HA VAL 60 HA VAL 60 12.567 3.968 -7.060 480 HB VAL 60 HB VAL 60 10.598 4.592 -4.808 481 HG11 VAL 60 HG11 VAL 60 12.624 5.982 -4.661 482 HG12 VAL 60 HG12 VAL 60 11.246 6.967 -5.155 483 HG13 VAL 60 HG13 VAL 60 12.445 6.465 -6.351 484 HG21 VAL 60 HG21 VAL 60 9.374 4.243 -6.907 485 HG22 VAL 60 HG22 VAL 60 10.429 5.390 -7.739 486 HG23 VAL 60 HG23 VAL 60 9.350 5.950 -6.459 487 H ALA 61 H ALA 61 11.506 2.688 -3.896 488 HA ALA 61 HA ALA 61 14.181 1.955 -3.089 489 HB1 ALA 61 HB1 ALA 61 12.752 4.120 -1.499 490 HB2 ALA 61 HB2 ALA 61 14.198 4.348 -2.485 491 HB3 ALA 61 HB3 ALA 61 14.266 3.327 -1.048 492 H ILE 62 H ILE 62 14.196 0.540 -1.297 493 HA ILE 62 HA ILE 62 11.747 -0.242 0.062 494 HB ILE 62 HB ILE 62 11.457 -1.450 -2.057 495 HG12 ILE 62 HG12 ILE 62 12.266 -3.379 0.180 496 HG13 ILE 62 HG13 ILE 62 10.701 -2.590 0.026 497 HG21 ILE 62 HG21 ILE 62 13.791 -1.525 -2.804 498 HG22 ILE 62 HG22 ILE 62 13.065 -3.132 -2.873 499 HG23 ILE 62 HG23 ILE 62 14.175 -2.722 -1.562 500 HD11 ILE 62 HD11 ILE 62 10.591 -4.890 -0.674 501 HD12 ILE 62 HD12 ILE 62 11.859 -4.627 -1.869 502 HD13 ILE 62 HD13 ILE 62 10.295 -3.825 -2.046 503 H ARG 63 H ARG 63 12.118 -1.571 1.885 504 HA ARG 63 HA ARG 63 14.700 -2.769 2.457 505 HB2 ARG 63 HB2 ARG 63 15.147 -0.476 3.182 506 HB3 ARG 63 HB3 ARG 63 13.670 -0.443 4.138 507 HG2 ARG 63 HG2 ARG 63 14.612 -2.155 5.653 508 HG3 ARG 63 HG3 ARG 63 16.094 -2.195 4.689 509 HD2 ARG 63 HD2 ARG 63 16.574 0.125 5.267 510 HD3 ARG 63 HD3 ARG 63 15.030 0.272 6.120 511 HE ARG 63 HE ARG 63 17.294 -1.447 6.983 512 HH11 ARG 63 HH11 ARG 63 14.532 0.479 7.804 513 HH12 ARG 63 HH12 ARG 63 14.786 0.306 9.501 514 HH21 ARG 63 HH21 ARG 63 17.596 -1.644 9.157 515 HH22 ARG 63 HH22 ARG 63 16.505 -0.879 10.257 516 H ALA 64 H ALA 64 13.866 -4.740 2.867 517 HA ALA 64 HA ALA 64 12.719 -6.490 3.714 518 HB1 ALA 64 HB1 ALA 64 12.855 -4.870 6.273 519 HB2 ALA 64 HB2 ALA 64 14.156 -5.871 5.622 520 HB3 ALA 64 HB3 ALA 64 12.650 -6.620 6.156 521 H TYR 65 H TYR 65 11.077 -4.261 5.915 522 HA TYR 65 HA TYR 65 8.580 -4.206 4.431 523 HB2 TYR 65 HB2 TYR 65 7.209 -5.239 6.137 524 HB3 TYR 65 HB3 TYR 65 8.484 -6.370 5.720 525 HD1 TYR 65 HD2 TYR 65 10.748 -5.260 7.486 526 HD2 TYR 65 HD1 TYR 65 6.612 -5.933 8.295 527 HE1 TYR 65 HE2 TYR 65 11.250 -5.506 9.885 528 HE2 TYR 65 HE1 TYR 65 7.099 -6.172 10.660 529 HH TYR 65 HH TYR 65 10.028 -5.269 12.073 530 H SER 66 H SER 66 10.845 -2.666 6.046 531 HA SER 66 HA SER 66 9.490 -0.903 7.854 532 HB2 SER 66 HB2 SER 66 12.253 -0.620 6.579 533 HB3 SER 66 HB3 SER 66 11.665 0.227 8.014 534 HG SER 66 HG SER 66 12.249 -1.431 9.135 535 H PHE 67 H PHE 67 10.017 -0.974 4.427 536 HA PHE 67 HA PHE 67 8.152 0.955 3.806 537 HB2 PHE 67 HB2 PHE 67 9.476 2.839 2.828 538 HB3 PHE 67 HB3 PHE 67 9.616 2.731 4.574 539 HD1 PHE 67 HD1 PHE 67 11.441 2.147 1.370 540 HD2 PHE 67 HD2 PHE 67 11.766 2.415 5.628 541 HE1 PHE 67 HE1 PHE 67 13.885 2.247 1.182 542 HE2 PHE 67 HE2 PHE 67 14.215 2.520 5.429 543 HZ PHE 67 HZ PHE 67 15.276 2.439 3.203 544 H ILE 68 H ILE 68 7.678 1.072 1.618 545 HA ILE 68 HA ILE 68 9.589 0.213 -0.395 546 HB ILE 68 HB ILE 68 8.474 -1.922 0.207 547 HG12 ILE 68 HG12 ILE 68 7.664 -0.904 -2.568 548 HG13 ILE 68 HG13 ILE 68 9.226 -1.604 -2.141 549 HG21 ILE 68 HG21 ILE 68 6.334 -1.049 1.023 550 HG22 ILE 68 HG22 ILE 68 6.064 -2.288 -0.204 551 HG23 ILE 68 HG23 ILE 68 5.876 -0.581 -0.617 552 HD11 ILE 68 HD11 ILE 68 7.846 -3.179 -3.341 553 HD12 ILE 68 HD12 ILE 68 6.585 -3.045 -2.120 554 HD13 ILE 68 HD13 ILE 68 8.149 -3.745 -1.699 555 H ARG 69 H ARG 69 9.236 1.153 -2.387 556 HA ARG 69 HA ARG 69 6.862 2.885 -2.760 557 HB2 ARG 69 HB2 ARG 69 9.753 3.712 -3.273 558 HB3 ARG 69 HB3 ARG 69 8.344 4.640 -3.753 559 HG2 ARG 69 HG2 ARG 69 8.870 5.772 -1.838 560 HG3 ARG 69 HG3 ARG 69 7.809 4.550 -1.142 561 HD2 ARG 69 HD2 ARG 69 9.719 3.252 -0.380 562 HD3 ARG 69 HD3 ARG 69 10.836 4.327 -1.232 563 HE ARG 69 HE ARG 69 9.123 5.508 0.829 564 HH11 ARG 69 HH11 ARG 69 12.312 4.459 -0.002 565 HH12 ARG 69 HH12 ARG 69 13.037 5.314 1.305 566 HH21 ARG 69 HH21 ARG 69 10.080 6.602 2.455 567 HH22 ARG 69 HH22 ARG 69 11.792 6.499 2.688 568 H PHE 70 H PHE 70 6.093 3.021 -4.838 569 HA PHE 70 HA PHE 70 7.673 1.851 -7.066 570 HB2 PHE 70 HB2 PHE 70 4.721 1.507 -6.438 571 HB3 PHE 70 HB3 PHE 70 5.273 1.419 -8.106 572 HD1 PHE 70 HD2 PHE 70 5.438 -0.234 -4.792 573 HD2 PHE 70 HD1 PHE 70 6.554 -0.473 -8.918 574 HE1 PHE 70 HE2 PHE 70 6.070 -2.589 -4.494 575 HE2 PHE 70 HE1 PHE 70 7.175 -2.830 -8.605 576 HZ PHE 70 HZ PHE 70 6.933 -3.886 -6.397 577 H HIS 71 H HIS 71 7.332 2.738 -9.121 578 HA HIS 71 HA HIS 71 5.997 5.342 -9.390 579 HB2 HIS 71 HB2 HIS 71 8.278 5.984 -8.872 580 HB3 HIS 71 HB3 HIS 71 8.934 4.806 -10.001 581 HD1 HIS 71 HD1 HIS 71 6.402 7.628 -10.445 582 HD2 HIS 71 HD2 HIS 71 9.945 6.222 -12.082 583 HE1 HIS 71 HE1 HIS 71 6.879 9.135 -12.391 584 HE2 HIS 71 HE2 HIS 71 8.906 8.134 -13.478 585 H TRP 72 H TRP 72 4.731 5.232 -11.132 586 HA TRP 72 HA TRP 72 4.865 3.025 -12.964 587 HB2 TRP 72 HB2 TRP 72 3.031 5.440 -12.785 588 HB3 TRP 72 HB3 TRP 72 2.890 4.248 -14.077 589 HD1 TRP 72 HD1 TRP 72 1.683 1.971 -13.505 590 HE1 TRP 72 HE1 TRP 72 0.519 1.040 -11.414 591 HE3 TRP 72 HE3 TRP 72 3.177 5.490 -10.078 592 HZ2 TRP 72 HZ2 TRP 72 0.261 1.681 -8.686 593 HZ3 TRP 72 HZ3 TRP 72 2.425 5.248 -7.741 594 HH2 TRP 72 HH2 TRP 72 0.996 3.379 -7.060 595 H LEU 73 H LEU 73 6.328 2.916 -14.487 596 HA LEU 73 HA LEU 73 7.686 5.192 -15.633 597 HB2 LEU 73 HB2 LEU 73 7.888 2.291 -16.515 598 HB3 LEU 73 HB3 LEU 73 9.054 3.576 -16.801 599 HG LEU 73 HG LEU 73 8.454 2.163 -14.178 600 HD11 LEU 73 HD11 LEU 73 10.807 1.508 -14.259 601 HD12 LEU 73 HD12 LEU 73 11.013 2.363 -15.790 602 HD13 LEU 73 HD13 LEU 73 9.945 0.961 -15.696 603 HD21 LEU 73 HD21 LEU 73 10.246 4.588 -14.568 604 HD22 LEU 73 HD22 LEU 73 10.143 3.609 -13.101 605 HD23 LEU 73 HD23 LEU 73 8.743 4.530 -13.641 606 H ASP 74 H ASP 74 4.736 3.834 -16.306 607 HA ASP 74 HA ASP 74 4.527 3.786 -19.110 608 HB2 ASP 74 HB2 ASP 74 2.893 2.900 -17.297 609 HB3 ASP 74 HB3 ASP 74 2.294 4.549 -17.179 610 H ASP 75 H ASP 75 4.334 6.464 -16.783 611 HA ASP 75 HA ASP 75 4.637 8.417 -18.978 612 HB2 ASP 75 HB2 ASP 75 2.212 8.352 -18.181 613 HB3 ASP 75 HB3 ASP 75 2.772 8.879 -16.600 614 H GLU 76 H GLU 76 5.589 10.556 -18.124 615 HA GLU 76 HA GLU 76 7.337 10.085 -15.753 616 HB2 GLU 76 HB2 GLU 76 8.475 9.651 -17.993 617 HB3 GLU 76 HB3 GLU 76 8.275 11.360 -18.359 618 HG2 GLU 76 HG2 GLU 76 9.704 11.948 -16.442 619 HG3 GLU 76 HG3 GLU 76 9.871 10.243 -16.023 620 H ASN 77 H ASN 77 5.094 12.204 -17.188 621 HA ASN 77 HA ASN 77 6.104 14.730 -16.190 622 HB2 ASN 77 HB2 ASN 77 3.219 14.033 -16.920 623 HB3 ASN 77 HB3 ASN 77 3.897 15.651 -16.747 624 HD21 ASN 77 HD21 ASN 77 3.546 12.915 -18.842 625 HD22 ASN 77 HD22 ASN 77 4.326 13.615 -20.214 626 H GLU 78 H GLU 78 5.063 16.026 -14.474 627 HA GLU 78 HA GLU 78 4.521 16.432 -12.308 628 HB2 GLU 78 HB2 GLU 78 2.662 14.036 -12.667 629 HB3 GLU 78 HB3 GLU 78 2.589 15.169 -11.319 630 HG2 GLU 78 HG2 GLU 78 2.062 17.004 -12.921 631 HG3 GLU 78 HG3 GLU 78 2.092 15.835 -14.240 632 H ARG 79 H ARG 79 3.826 14.467 -10.201 633 HA ARG 79 HA ARG 79 5.999 12.530 -10.081 634 HB2 ARG 79 HB2 ARG 79 6.780 13.345 -7.830 635 HB3 ARG 79 HB3 ARG 79 7.124 14.474 -9.136 636 HG2 ARG 79 HG2 ARG 79 5.190 15.857 -8.454 637 HG3 ARG 79 HG3 ARG 79 4.843 14.729 -7.143 638 HD2 ARG 79 HD2 ARG 79 7.047 15.253 -6.130 639 HD3 ARG 79 HD3 ARG 79 7.365 16.405 -7.435 640 HE ARG 79 HE ARG 79 4.968 17.192 -6.343 641 HH11 ARG 79 HH11 ARG 79 8.197 16.836 -5.142 642 HH12 ARG 79 HH12 ARG 79 7.971 18.011 -3.899 643 HH21 ARG 79 HH21 ARG 79 4.718 18.711 -4.779 644 HH22 ARG 79 HH22 ARG 79 6.018 19.074 -3.701 645 H ASP 80 H ASP 80 4.911 10.675 -9.586 646 HA ASP 80 HA ASP 80 2.660 10.704 -7.721 647 HB2 ASP 80 HB2 ASP 80 2.555 8.218 -8.170 648 HB3 ASP 80 HB3 ASP 80 2.321 9.248 -9.577 649 H TYR 81 H TYR 81 2.640 9.887 -5.685 650 HA TYR 81 HA TYR 81 5.183 9.089 -4.406 651 HB2 TYR 81 HB2 TYR 81 4.841 11.565 -4.178 652 HB3 TYR 81 HB3 TYR 81 3.303 11.267 -3.382 653 HD1 TYR 81 HD2 TYR 81 5.946 8.931 -2.380 654 HD2 TYR 81 HD1 TYR 81 4.303 12.810 -1.601 655 HE1 TYR 81 HE2 TYR 81 7.101 8.997 -0.226 656 HE2 TYR 81 HE1 TYR 81 5.478 12.863 0.557 657 HH TYR 81 HH TYR 81 7.880 10.545 1.414 658 H PHE 82 H PHE 82 4.616 7.041 -3.923 659 HA PHE 82 HA PHE 82 2.370 6.584 -2.064 660 HB2 PHE 82 HB2 PHE 82 1.682 6.021 -4.441 661 HB3 PHE 82 HB3 PHE 82 2.957 4.811 -4.485 662 HD1 PHE 82 HD1 PHE 82 0.248 5.725 -2.021 663 HD2 PHE 82 HD2 PHE 82 2.060 2.642 -4.373 664 HE1 PHE 82 HE1 PHE 82 -1.365 4.096 -1.149 665 HE2 PHE 82 HE2 PHE 82 0.442 1.019 -3.475 666 HZ PHE 82 HZ PHE 82 -1.271 1.746 -1.864 667 H GLU 83 H GLU 83 3.448 6.012 -0.257 668 HA GLU 83 HA GLU 83 5.592 3.943 -0.354 669 HB2 GLU 83 HB2 GLU 83 4.956 5.866 1.930 670 HB3 GLU 83 HB3 GLU 83 6.317 4.754 1.847 671 HG2 GLU 83 HG2 GLU 83 7.246 6.067 -0.005 672 HG3 GLU 83 HG3 GLU 83 5.881 7.179 0.095 673 H ILE 84 H ILE 84 5.328 2.058 0.878 674 HA ILE 84 HA ILE 84 3.058 1.919 2.781 675 HB ILE 84 HB ILE 84 3.907 -0.503 1.113 676 HG12 ILE 84 HG12 ILE 84 1.519 -0.106 -0.010 677 HG13 ILE 84 HG13 ILE 84 1.789 1.571 0.441 678 HG21 ILE 84 HG21 ILE 84 1.797 -1.472 1.931 679 HG22 ILE 84 HG22 ILE 84 1.460 0.000 2.844 680 HG23 ILE 84 HG23 ILE 84 2.852 -1.001 3.266 681 HD11 ILE 84 HD11 ILE 84 2.405 1.094 -1.869 682 HD12 ILE 84 HD12 ILE 84 3.597 -0.083 -1.323 683 HD13 ILE 84 HD13 ILE 84 3.796 1.627 -0.928 684 H LYS 85 H LYS 85 3.719 1.244 4.822 685 HA LYS 85 HA LYS 85 5.833 -0.816 4.974 686 HB2 LYS 85 HB2 LYS 85 7.028 0.231 6.717 687 HB3 LYS 85 HB3 LYS 85 6.749 1.515 5.551 688 HG2 LYS 85 HG2 LYS 85 4.934 2.418 6.958 689 HG3 LYS 85 HG3 LYS 85 5.151 1.095 8.102 690 HD2 LYS 85 HD2 LYS 85 6.311 2.911 9.089 691 HD3 LYS 85 HD3 LYS 85 7.584 1.920 8.374 692 HE2 LYS 85 HE2 LYS 85 8.042 4.257 7.893 693 HE3 LYS 85 HE3 LYS 85 7.584 3.459 6.385 694 HZ1 LYS 85 HZ1 LYS 85 5.407 4.395 6.536 695 HZ2 LYS 85 HZ2 LYS 85 6.525 5.648 6.718 696 HZ3 LYS 85 HZ3 LYS 85 5.715 5.031 8.074 697 H MET 86 H MET 86 5.819 -1.963 7.139 698 HA MET 86 HA MET 86 3.427 -1.549 8.788 699 HB2 MET 86 HB2 MET 86 3.194 -4.031 9.147 700 HB3 MET 86 HB3 MET 86 2.736 -3.488 7.550 701 HG2 MET 86 HG2 MET 86 5.472 -4.617 8.072 702 HG3 MET 86 HG3 MET 86 4.093 -5.659 7.736 703 HE1 MET 86 HE1 MET 86 2.733 -5.625 5.572 704 HE2 MET 86 HE2 MET 86 3.073 -4.620 4.158 705 HE3 MET 86 HE3 MET 86 2.459 -3.885 5.640 706 H SER 87 H SER 87 3.803 -1.677 10.908 707 HA SER 87 HA SER 87 6.554 -2.328 11.873 708 HB2 SER 87 HB2 SER 87 6.057 0.093 12.059 709 HB3 SER 87 HB3 SER 87 4.590 -0.259 12.969 710 HG SER 87 HG SER 87 5.906 -0.019 14.606 711 H TYR 88 H TYR 88 6.727 -3.783 13.555 712 HA TYR 88 HA TYR 88 4.253 -5.195 14.335 713 HB2 TYR 88 HB2 TYR 88 6.117 -6.526 13.344 714 HB3 TYR 88 HB3 TYR 88 7.166 -6.040 14.673 715 HD1 TYR 88 HD1 TYR 88 3.570 -7.048 14.994 716 HD2 TYR 88 HD2 TYR 88 7.639 -8.231 15.594 717 HE1 TYR 88 HE1 TYR 88 2.814 -9.014 16.244 718 HE2 TYR 88 HE2 TYR 88 6.870 -10.202 16.849 719 HH TYR 88 HH TYR 88 4.838 -10.880 18.164 720 H ASN 89 H ASN 89 3.343 -4.658 16.226 721 HA ASN 89 HA ASN 89 4.712 -3.090 18.240 722 HB2 ASN 89 HB2 ASN 89 1.902 -4.260 18.282 723 HB3 ASN 89 HB3 ASN 89 2.527 -3.025 19.372 724 HD21 ASN 89 HD21 ASN 89 1.260 -3.662 16.229 725 HD22 ASN 89 HD22 ASN 89 1.155 -2.030 15.707 726 H GLU 90 H GLU 90 4.608 -6.368 17.700 727 HA GLU 90 HA GLU 90 5.433 -8.173 18.730 728 HB2 GLU 90 HB2 GLU 90 6.447 -6.197 20.797 729 HB3 GLU 90 HB3 GLU 90 6.893 -7.902 20.765 730 HG2 GLU 90 HG2 GLU 90 7.850 -7.562 18.483 731 HG3 GLU 90 HG3 GLU 90 7.497 -5.840 18.616 732 H LEU 91 H LEU 91 4.287 -6.304 21.589 733 HA LEU 91 HA LEU 91 3.722 -8.694 23.044 734 HB2 LEU 91 HB2 LEU 91 2.930 -5.840 23.756 735 HB3 LEU 91 HB3 LEU 91 3.067 -7.206 24.859 736 HG LEU 91 HG LEU 91 5.369 -5.819 23.414 737 HD11 LEU 91 HD11 LEU 91 4.461 -4.509 25.270 738 HD12 LEU 91 HD12 LEU 91 6.079 -5.098 25.639 739 HD13 LEU 91 HD13 LEU 91 4.670 -5.879 26.366 740 HD21 LEU 91 HD21 LEU 91 5.850 -8.215 23.604 741 HD22 LEU 91 HD22 LEU 91 5.503 -8.173 25.334 742 HD23 LEU 91 HD23 LEU 91 6.883 -7.283 24.687 743 H THR 92 H THR 92 1.701 -6.249 21.438 744 HA THR 92 HA THR 92 -0.784 -7.542 22.232 745 HB THR 92 HB THR 92 -0.648 -5.060 22.087 746 HG1 THR 92 HG1 THR 92 -2.564 -5.587 20.164 747 HG21 THR 92 HG21 THR 92 0.791 -4.842 20.084 748 HG22 THR 92 HG22 THR 92 -0.709 -3.934 19.895 749 HG23 THR 92 HG23 THR 92 -0.512 -5.484 19.076 750 H GLY 93 H GLY 93 1.366 -7.599 19.510 751 HA2 GLY 93 HA2 GLY 93 1.420 -9.344 17.918 752 HA3 GLY 93 HA3 GLY 93 -0.293 -9.622 18.153 753 H ASP 94 H ASP 94 -0.880 -6.676 17.812 754 HA ASP 94 HA ASP 94 -1.644 -6.743 15.118 755 HB2 ASP 94 HB2 ASP 94 -1.369 -4.342 16.967 756 HB3 ASP 94 HB3 ASP 94 -2.223 -4.320 15.423 757 H TYR 95 H TYR 95 -1.173 -5.207 13.418 758 HA TYR 95 HA TYR 95 1.644 -4.304 13.243 759 HB2 TYR 95 HB2 TYR 95 -0.144 -5.678 11.220 760 HB3 TYR 95 HB3 TYR 95 1.032 -4.510 10.621 761 HD1 TYR 95 HD1 TYR 95 0.826 -7.565 12.825 762 HD2 TYR 95 HD2 TYR 95 3.224 -5.208 10.194 763 HE1 TYR 95 HE1 TYR 95 2.639 -9.209 12.990 764 HE2 TYR 95 HE2 TYR 95 5.025 -6.842 10.340 765 HH TYR 95 HH TYR 95 5.778 -8.600 12.086 766 H VAL 96 H VAL 96 1.944 -2.218 13.055 767 HA VAL 96 HA VAL 96 -0.115 -0.268 12.507 768 HB VAL 96 HB VAL 96 2.910 0.033 12.880 769 HG11 VAL 96 HG11 VAL 96 2.490 2.449 13.214 770 HG12 VAL 96 HG12 VAL 96 0.791 2.210 12.807 771 HG13 VAL 96 HG13 VAL 96 2.036 1.933 11.589 772 HG21 VAL 96 HG21 VAL 96 2.364 0.848 15.146 773 HG22 VAL 96 HG22 VAL 96 1.777 -0.798 14.908 774 HG23 VAL 96 HG23 VAL 96 0.648 0.558 14.849 775 H LEU 97 H LEU 97 -0.831 -0.354 10.409 776 HA LEU 97 HA LEU 97 1.081 -0.798 8.202 777 HB2 LEU 97 HB2 LEU 97 -0.982 -2.236 8.446 778 HB3 LEU 97 HB3 LEU 97 -1.963 -0.814 8.138 779 HG LEU 97 HG LEU 97 -0.868 -0.601 5.882 780 HD11 LEU 97 HD11 LEU 97 0.441 -2.440 4.975 781 HD12 LEU 97 HD12 LEU 97 0.344 -3.307 6.510 782 HD13 LEU 97 HD13 LEU 97 1.232 -1.784 6.412 783 HD21 LEU 97 HD21 LEU 97 -3.064 -1.684 6.105 784 HD22 LEU 97 HD22 LEU 97 -2.281 -3.246 6.361 785 HD23 LEU 97 HD23 LEU 97 -2.115 -2.416 4.812 786 H GLU 98 H GLU 98 1.866 1.024 7.250 787 HA GLU 98 HA GLU 98 0.250 3.523 7.391 788 HB2 GLU 98 HB2 GLU 98 3.292 3.302 7.475 789 HB3 GLU 98 HB3 GLU 98 2.350 4.788 7.589 790 HG2 GLU 98 HG2 GLU 98 1.314 3.882 9.694 791 HG3 GLU 98 HG3 GLU 98 2.435 2.524 9.610 792 H ILE 99 H ILE 99 -0.611 3.733 5.429 793 HA ILE 99 HA ILE 99 0.998 3.528 2.974 794 HB ILE 99 HB ILE 99 -1.994 3.705 3.522 795 HG12 ILE 99 HG12 ILE 99 -2.046 1.695 1.939 796 HG13 ILE 99 HG13 ILE 99 -0.289 1.737 1.918 797 HG21 ILE 99 HG21 ILE 99 -2.469 3.918 1.087 798 HG22 ILE 99 HG22 ILE 99 -0.755 4.222 0.799 799 HG23 ILE 99 HG23 ILE 99 -1.699 5.355 1.764 800 HD11 ILE 99 HD11 ILE 99 -1.145 0.024 3.397 801 HD12 ILE 99 HD12 ILE 99 -2.021 1.233 4.334 802 HD13 ILE 99 HD13 ILE 99 -0.256 1.243 4.307 803 H THR 100 H THR 100 2.117 5.357 2.477 804 HA THR 100 HA THR 100 1.086 8.038 3.069 805 HB THR 100 HB THR 100 3.668 7.152 1.713 806 HG1 THR 100 HG1 THR 100 4.629 7.730 3.676 807 HG21 THR 100 HG21 THR 100 4.438 9.491 1.997 808 HG22 THR 100 HG22 THR 100 2.834 9.950 2.573 809 HG23 THR 100 HG23 THR 100 3.050 9.397 0.910 810 H ASP 101 H ASP 101 -0.150 9.083 1.632 811 HA ASP 101 HA ASP 101 0.077 8.548 -1.269 812 HB2 ASP 101 HB2 ASP 101 -1.870 7.291 -0.407 813 HB3 ASP 101 HB3 ASP 101 -2.495 8.744 0.373 814 H PHE 102 H PHE 102 -0.734 10.315 -2.592 815 HA PHE 102 HA PHE 102 -0.849 12.957 -1.246 816 HB2 PHE 102 HB2 PHE 102 0.157 13.981 -3.193 817 HB3 PHE 102 HB3 PHE 102 1.173 12.632 -2.719 818 HD1 PHE 102 HD1 PHE 102 0.488 10.308 -4.008 819 HD2 PHE 102 HD2 PHE 102 -0.167 14.258 -5.512 820 HE1 PHE 102 HE1 PHE 102 0.375 9.420 -6.304 821 HE2 PHE 102 HE2 PHE 102 -0.273 13.362 -7.810 822 HZ PHE 102 HZ PHE 102 -0.009 10.942 -8.205 823 H SER 103 H SER 103 -2.820 13.812 -1.277 824 HA SER 103 HA SER 103 -4.511 13.665 -3.699 825 HB2 SER 103 HB2 SER 103 -5.498 13.228 -0.834 826 HB3 SER 103 HB3 SER 103 -6.554 13.459 -2.231 827 HG SER 103 HG SER 103 -4.653 11.348 -1.956 828 H GLU 104 H GLU 104 -6.022 15.527 -3.836 829 HA GLU 104 HA GLU 104 -5.064 18.003 -2.738 830 HB2 GLU 104 HB2 GLU 104 -7.762 17.362 -4.036 831 HB3 GLU 104 HB3 GLU 104 -7.128 18.980 -3.723 832 HG2 GLU 104 HG2 GLU 104 -5.278 18.586 -5.275 833 HG3 GLU 104 HG3 GLU 104 -5.831 16.933 -5.549 834 H ALA 105 H ALA 105 -5.980 19.240 -0.974 835 HA ALA 105 HA ALA 105 -6.856 18.015 1.312 836 HB1 ALA 105 HB1 ALA 105 -7.528 20.850 0.482 837 HB2 ALA 105 HB2 ALA 105 -6.013 20.324 1.221 838 HB3 ALA 105 HB3 ALA 105 -7.522 20.228 2.134 839 H ASP 106 H ASP 106 -8.933 19.316 -1.232 840 HA ASP 106 HA ASP 106 -11.472 19.022 -0.027 841 HB2 ASP 106 HB2 ASP 106 -10.999 20.416 -2.027 842 HB3 ASP 106 HB3 ASP 106 -10.731 18.961 -2.979 843 H GLU 107 H GLU 107 -9.384 16.629 -1.413 844 HA GLU 107 HA GLU 107 -11.478 14.542 -1.664 845 HB2 GLU 107 HB2 GLU 107 -8.529 14.394 -2.456 846 HB3 GLU 107 HB3 GLU 107 -9.802 13.246 -2.882 847 HG2 GLU 107 HG2 GLU 107 -10.858 14.916 -4.314 848 HG3 GLU 107 HG3 GLU 107 -9.658 16.122 -3.836 849 H ALA 108 H ALA 108 -8.795 15.597 0.273 850 HA ALA 108 HA ALA 108 -7.749 13.154 1.223 851 HB1 ALA 108 HB1 ALA 108 -6.584 14.492 2.915 852 HB2 ALA 108 HB2 ALA 108 -7.627 15.877 2.571 853 HB3 ALA 108 HB3 ALA 108 -6.509 15.287 1.339 854 H ASP 109 H ASP 109 -10.333 15.233 2.553 855 HA ASP 109 HA ASP 109 -10.667 13.935 5.043 856 HB2 ASP 109 HB2 ASP 109 -12.763 15.359 3.357 857 HB3 ASP 109 HB3 ASP 109 -12.918 14.976 5.072 858 H ASP 110 H ASP 110 -11.741 12.969 1.841 859 HA ASP 110 HA ASP 110 -13.525 10.855 2.693 860 HB2 ASP 110 HB2 ASP 110 -12.164 11.236 -0.008 861 HB3 ASP 110 HB3 ASP 110 -13.546 10.191 0.330 862 H LEU 111 H LEU 111 -10.085 11.116 2.037 863 HA LEU 111 HA LEU 111 -9.434 8.322 2.121 864 HB2 LEU 111 HB2 LEU 111 -7.860 10.887 2.346 865 HB3 LEU 111 HB3 LEU 111 -7.078 9.389 2.793 866 HG LEU 111 HG LEU 111 -6.490 9.988 0.512 867 HD11 LEU 111 HD11 LEU 111 -7.064 7.910 -0.628 868 HD12 LEU 111 HD12 LEU 111 -8.343 7.598 0.549 869 HD13 LEU 111 HD13 LEU 111 -6.655 7.618 1.062 870 HD21 LEU 111 HD21 LEU 111 -9.449 9.895 -0.153 871 HD22 LEU 111 HD22 LEU 111 -8.127 10.135 -1.302 872 HD23 LEU 111 HD23 LEU 111 -8.450 11.349 -0.064 873 H LYS 112 H LYS 112 -9.497 10.892 4.602 874 HA LYS 112 HA LYS 112 -8.781 9.134 6.765 875 HB2 LYS 112 HB2 LYS 112 -10.050 11.898 6.809 876 HB3 LYS 112 HB3 LYS 112 -9.645 10.998 8.262 877 HG2 LYS 112 HG2 LYS 112 -7.797 12.399 8.049 878 HG3 LYS 112 HG3 LYS 112 -7.217 10.919 7.277 879 HD2 LYS 112 HD2 LYS 112 -7.497 11.841 5.091 880 HD3 LYS 112 HD3 LYS 112 -8.410 13.217 5.706 881 HE2 LYS 112 HE2 LYS 112 -5.494 12.720 6.389 882 HE3 LYS 112 HE3 LYS 112 -6.024 13.720 5.036 883 HZ1 LYS 112 HZ1 LYS 112 -5.550 15.062 6.962 884 HZ2 LYS 112 HZ2 LYS 112 -6.662 14.199 7.898 885 HZ3 LYS 112 HZ3 LYS 112 -7.199 15.143 6.601 886 H GLU 113 H GLU 113 -11.836 10.102 5.266 887 HA GLU 113 HA GLU 113 -13.657 8.778 6.992 888 HB2 GLU 113 HB2 GLU 113 -14.399 10.312 5.189 889 HB3 GLU 113 HB3 GLU 113 -13.812 9.183 3.975 890 HG2 GLU 113 HG2 GLU 113 -15.492 7.497 4.887 891 HG3 GLU 113 HG3 GLU 113 -16.158 8.809 5.859 892 H LEU 114 H LEU 114 -11.764 7.625 4.207 893 HA LEU 114 HA LEU 114 -12.643 4.974 3.989 894 HB2 LEU 114 HB2 LEU 114 -11.176 5.990 2.316 895 HB3 LEU 114 HB3 LEU 114 -9.898 6.191 3.499 896 HG LEU 114 HG LEU 114 -9.651 3.702 3.633 897 HD11 LEU 114 HD11 LEU 114 -11.890 3.001 2.988 898 HD12 LEU 114 HD12 LEU 114 -10.692 2.267 1.927 899 HD13 LEU 114 HD13 LEU 114 -11.654 3.632 1.354 900 HD21 LEU 114 HD21 LEU 114 -8.167 5.005 2.179 901 HD22 LEU 114 HD22 LEU 114 -9.309 4.854 0.841 902 HD23 LEU 114 HD23 LEU 114 -8.498 3.421 1.478 903 H TRP 115 H TRP 115 -10.049 6.353 6.002 904 HA TRP 115 HA TRP 115 -9.330 3.966 7.383 905 HB2 TRP 115 HB2 TRP 115 -7.707 5.692 7.482 906 HB3 TRP 115 HB3 TRP 115 -8.885 6.909 7.953 907 HD1 TRP 115 HD1 TRP 115 -8.222 7.724 10.298 908 HE1 TRP 115 HE1 TRP 115 -7.523 6.654 12.522 909 HE3 TRP 115 HE3 TRP 115 -8.045 2.795 8.847 910 HZ2 TRP 115 HZ2 TRP 115 -6.980 4.092 13.546 911 HZ3 TRP 115 HZ3 TRP 115 -7.438 1.103 10.526 912 HH2 TRP 115 HH2 TRP 115 -6.918 1.741 12.827 913 H ASP 116 H ASP 116 -11.690 6.546 8.157 914 HA ASP 116 HA ASP 116 -12.376 5.682 10.766 915 HB2 ASP 116 HB2 ASP 116 -12.881 7.946 9.765 916 HB3 ASP 116 HB3 ASP 116 -14.146 7.196 8.794 917 H SER 117 H SER 117 -13.580 4.762 7.596 918 HA SER 117 HA SER 117 -15.646 2.963 8.501 919 HB2 SER 117 HB2 SER 117 -15.741 4.024 6.252 920 HB3 SER 117 HB3 SER 117 -14.294 3.148 5.763 921 HG SER 117 HG SER 117 -16.839 2.082 6.433 922 H GLN 118 H GLN 118 -12.240 2.652 7.520 923 HA GLN 118 HA GLN 118 -12.178 -0.202 7.427 924 HB2 GLN 118 HB2 GLN 118 -10.050 1.931 7.313 925 HB3 GLN 118 HB3 GLN 118 -9.566 0.253 7.544 926 HG2 GLN 118 HG2 GLN 118 -11.207 1.291 5.212 927 HG3 GLN 118 HG3 GLN 118 -9.481 0.936 5.178 928 HE21 GLN 118 HE21 GLN 118 -9.692 -1.500 6.781 929 HE22 GLN 118 HE22 GLN 118 -10.425 -2.683 5.767 930 H VAL 119 H VAL 119 -11.505 2.065 10.100 931 HA VAL 119 HA VAL 119 -10.178 0.166 11.750 932 HB VAL 119 HB VAL 119 -10.003 2.569 12.206 933 HG11 VAL 119 HG11 VAL 119 -12.265 3.318 11.637 934 HG12 VAL 119 HG12 VAL 119 -11.833 3.850 13.264 935 HG13 VAL 119 HG13 VAL 119 -12.921 2.477 13.045 936 HG21 VAL 119 HG21 VAL 119 -11.246 1.078 14.545 937 HG22 VAL 119 HG22 VAL 119 -10.202 2.498 14.659 938 HG23 VAL 119 HG23 VAL 119 -9.558 0.975 14.035 939 H SER 120 H SER 120 -13.591 0.996 11.334 940 HA SER 120 HA SER 120 -14.701 -0.888 13.176 941 HB2 SER 120 HB2 SER 120 -16.043 0.980 12.280 942 HB3 SER 120 HB3 SER 120 -15.878 0.350 10.644 943 HG SER 120 HG SER 120 -17.357 -0.704 12.812 944 H LYS 121 H LYS 121 -14.083 -0.992 9.671 945 HA LYS 121 HA LYS 121 -15.233 -3.467 9.043 946 HB2 LYS 121 HB2 LYS 121 -14.633 -1.641 7.439 947 HB3 LYS 121 HB3 LYS 121 -12.941 -2.075 7.610 948 HG2 LYS 121 HG2 LYS 121 -13.755 -3.016 5.552 949 HG3 LYS 121 HG3 LYS 121 -13.469 -4.344 6.682 950 HD2 LYS 121 HD2 LYS 121 -15.879 -4.486 7.169 951 HD3 LYS 121 HD3 LYS 121 -16.199 -3.094 6.128 952 HE2 LYS 121 HE2 LYS 121 -15.371 -4.409 4.178 953 HE3 LYS 121 HE3 LYS 121 -15.128 -5.798 5.243 954 HZ1 LYS 121 HZ1 LYS 121 -17.203 -6.001 4.103 955 HZ2 LYS 121 HZ2 LYS 121 -17.708 -4.475 4.617 956 HZ3 LYS 121 HZ3 LYS 121 -17.516 -5.725 5.742 957 H LEU 122 H LEU 122 -11.867 -2.730 9.916 958 HA LEU 122 HA LEU 122 -10.734 -5.296 9.424 959 HB2 LEU 122 HB2 LEU 122 -9.770 -2.980 11.145 960 HB3 LEU 122 HB3 LEU 122 -8.798 -4.408 10.800 961 HG LEU 122 HG LEU 122 -9.843 -2.528 8.640 962 HD11 LEU 122 HD11 LEU 122 -7.077 -2.521 9.883 963 HD12 LEU 122 HD12 LEU 122 -8.321 -1.282 10.099 964 HD13 LEU 122 HD13 LEU 122 -7.611 -1.551 8.505 965 HD21 LEU 122 HD21 LEU 122 -7.740 -4.715 8.511 966 HD22 LEU 122 HD22 LEU 122 -8.200 -3.641 7.186 967 HD23 LEU 122 HD23 LEU 122 -9.372 -4.791 7.832 968 H ARG 123 H ARG 123 -12.244 -3.804 12.240 969 HA ARG 123 HA ARG 123 -11.691 -5.943 14.085 970 HB2 ARG 123 HB2 ARG 123 -12.156 -3.644 14.852 971 HB3 ARG 123 HB3 ARG 123 -13.777 -3.721 14.174 972 HG2 ARG 123 HG2 ARG 123 -14.436 -5.409 15.808 973 HG3 ARG 123 HG3 ARG 123 -12.781 -5.508 16.424 974 HD2 ARG 123 HD2 ARG 123 -14.595 -3.069 16.568 975 HD3 ARG 123 HD3 ARG 123 -14.207 -4.151 17.908 976 HE ARG 123 HE ARG 123 -11.771 -3.383 17.249 977 HH11 ARG 123 HH11 ARG 123 -14.571 -1.363 17.563 978 HH12 ARG 123 HH12 ARG 123 -13.633 0.026 17.985 979 HH21 ARG 123 HH21 ARG 123 -10.608 -1.612 17.781 980 HH22 ARG 123 HH22 ARG 123 -11.410 -0.117 18.115 981 H ARG 124 H ARG 124 -14.306 -5.209 11.805 982 HA ARG 124 HA ARG 124 -16.187 -7.191 12.600 983 HB2 ARG 124 HB2 ARG 124 -15.738 -5.993 9.831 984 HB3 ARG 124 HB3 ARG 124 -17.159 -6.916 10.322 985 HG2 ARG 124 HG2 ARG 124 -17.713 -5.148 11.975 986 HG3 ARG 124 HG3 ARG 124 -16.306 -4.226 11.439 987 HD2 ARG 124 HD2 ARG 124 -17.261 -4.014 9.196 988 HD3 ARG 124 HD3 ARG 124 -18.651 -4.994 9.678 989 HE ARG 124 HE ARG 124 -18.098 -2.463 11.085 990 HH11 ARG 124 HH11 ARG 124 -20.206 -4.310 9.047 991 HH12 ARG 124 HH12 ARG 124 -21.475 -3.143 9.131 992 HH21 ARG 124 HH21 ARG 124 -19.743 -0.985 11.159 993 HH22 ARG 124 HH22 ARG 124 -21.210 -1.286 10.299 994 H THR 125 H THR 125 -13.832 -7.217 9.905 995 HA THR 125 HA THR 125 -14.160 -10.013 9.303 996 HB THR 125 HB THR 125 -13.570 -8.386 7.531 997 HG1 THR 125 HG1 THR 125 -11.291 -9.869 7.339 998 HG21 THR 125 HG21 THR 125 -11.301 -7.460 7.335 999 HG22 THR 125 HG22 THR 125 -10.861 -8.162 8.892 1000 HG23 THR 125 HG23 THR 125 -12.080 -6.889 8.812 1001 H CYS 126 H CYS 126 -12.242 -8.267 11.563 1002 HA CYS 126 HA CYS 126 -10.707 -8.796 13.131 1003 HB2 CYS 126 HB2 CYS 126 -11.489 -11.675 12.529 1004 HB3 CYS 126 HB3 CYS 126 -10.571 -11.147 13.939 1005 HG CYS 126 HG CYS 126 -13.595 -9.711 13.429 1006 H GLY 127 H GLY 127 -9.811 -8.367 10.459 1007 HA2 GLY 127 HA2 GLY 127 -7.350 -8.328 9.996 1008 HA3 GLY 127 HA3 GLY 127 -7.383 -10.077 10.198 1009 H PHE 128 H PHE 128 -6.492 -8.670 7.849 1010 HA PHE 128 HA PHE 128 -6.626 -8.546 5.595 1011 HB2 PHE 128 HB2 PHE 128 -8.910 -10.551 5.859 1012 HB3 PHE 128 HB3 PHE 128 -8.219 -10.043 4.327 1013 HD1 PHE 128 HD1 PHE 128 -5.826 -10.649 3.780 1014 HD2 PHE 128 HD2 PHE 128 -7.860 -12.278 7.171 1015 HE1 PHE 128 HE1 PHE 128 -4.181 -12.470 3.898 1016 HE2 PHE 128 HE2 PHE 128 -6.207 -14.098 7.282 1017 HZ PHE 128 HZ PHE 128 -4.366 -14.193 5.649 1018 H LEU 129 H LEU 129 -8.355 -8.126 3.714 1019 HA LEU 129 HA LEU 129 -9.875 -6.834 2.703 1020 HB2 LEU 129 HB2 LEU 129 -11.358 -8.202 4.450 1021 HB3 LEU 129 HB3 LEU 129 -11.601 -6.632 5.181 1022 HG LEU 129 HG LEU 129 -13.483 -7.191 3.722 1023 HD11 LEU 129 HD11 LEU 129 -11.851 -4.988 2.444 1024 HD12 LEU 129 HD12 LEU 129 -12.898 -4.825 3.854 1025 HD13 LEU 129 HD13 LEU 129 -13.595 -5.229 2.287 1026 HD21 LEU 129 HD21 LEU 129 -11.489 -7.410 1.446 1027 HD22 LEU 129 HD22 LEU 129 -13.247 -7.533 1.307 1028 HD23 LEU 129 HD23 LEU 129 -12.349 -8.749 2.211 1029 H GLU 130 H GLU 130 -8.383 -5.130 2.535 1030 HA GLU 130 HA GLU 130 -9.174 -2.678 4.000 1031 HB2 GLU 130 HB2 GLU 130 -6.912 -3.527 4.711 1032 HB3 GLU 130 HB3 GLU 130 -6.346 -3.376 3.056 1033 HG2 GLU 130 HG2 GLU 130 -7.457 -0.908 4.369 1034 HG3 GLU 130 HG3 GLU 130 -5.909 -1.502 4.958 1035 H HIS 131 H HIS 131 -10.043 -1.199 2.649 1036 HA HIS 131 HA HIS 131 -10.075 -1.669 -0.221 1037 HB2 HIS 131 HB2 HIS 131 -11.435 0.470 1.466 1038 HB3 HIS 131 HB3 HIS 131 -11.687 0.252 -0.263 1039 HD1 HIS 131 HD1 HIS 131 -13.003 -0.756 2.936 1040 HD2 HIS 131 HD2 HIS 131 -12.859 -2.417 -0.865 1041 HE1 HIS 131 HE1 HIS 131 -14.786 -2.509 2.911 1042 HE2 HIS 131 HE2 HIS 131 -14.831 -3.334 0.537 1043 H HIS 132 H HIS 132 -8.331 -1.023 -1.343 1044 HA HIS 132 HA HIS 132 -6.651 1.200 -0.576 1045 HB2 HIS 132 HB2 HIS 132 -6.476 -0.255 -3.241 1046 HB3 HIS 132 HB3 HIS 132 -5.182 0.509 -2.325 1047 HD1 HIS 132 HD1 HIS 132 -5.623 -0.927 0.411 1048 HD2 HIS 132 HD2 HIS 132 -5.607 -2.832 -3.289 1049 HE1 HIS 132 HE1 HIS 132 -5.125 -3.342 0.892 1050 HE2 HIS 132 HE2 HIS 132 -5.317 -4.488 -1.327 1051 H HIS 133 H HIS 133 -6.609 3.243 -1.440 1052 HA HIS 133 HA HIS 133 -8.831 4.387 -2.705 1053 HB2 HIS 133 HB2 HIS 133 -7.365 6.436 -2.976 1054 HB3 HIS 133 HB3 HIS 133 -7.413 5.772 -1.350 1055 HD1 HIS 133 HD1 HIS 133 -5.149 5.420 -4.406 1056 HD2 HIS 133 HD2 HIS 133 -4.930 5.623 -0.261 1057 HE1 HIS 133 HE1 HIS 133 -2.712 5.366 -3.864 1058 HE2 HIS 133 HE2 HIS 133 -2.609 5.764 -1.391 1059 H HIS 134 H HIS 134 -9.197 5.245 -4.782 1060 HA HIS 134 HA HIS 134 -7.551 4.402 -7.043 1061 HB2 HIS 134 HB2 HIS 134 -9.491 3.119 -8.080 1062 HB3 HIS 134 HB3 HIS 134 -8.762 2.340 -6.681 1063 HD1 HIS 134 HD1 HIS 134 -11.952 3.871 -7.861 1064 HD2 HIS 134 HD2 HIS 134 -10.406 2.244 -4.365 1065 HE1 HIS 134 HE1 HIS 134 -13.917 3.566 -6.337 1066 HE2 HIS 134 HE2 HIS 134 -12.961 2.632 -4.216 1067 H HIS 135 H HIS 135 -7.814 5.678 -8.790 1068 HA HIS 135 HA HIS 135 -8.687 6.903 -10.464 1069 HB2 HIS 135 HB2 HIS 135 -11.317 6.640 -8.977 1070 HB3 HIS 135 HB3 HIS 135 -11.170 7.533 -10.486 1071 HD1 HIS 135 HD1 HIS 135 -13.070 5.347 -10.713 1072 HD2 HIS 135 HD2 HIS 135 -9.002 4.628 -11.191 1073 HE1 HIS 135 HE1 HIS 135 -12.921 3.265 -12.102 1074 HE2 HIS 135 HE2 HIS 135 -10.456 2.779 -12.267 1075 H HIS 136 H HIS 136 -9.493 8.215 -7.238 1076 HA HIS 136 HA HIS 136 -9.739 10.290 -6.368 1077 HB2 HIS 136 HB2 HIS 136 -8.096 11.142 -8.771 1078 HB3 HIS 136 HB3 HIS 136 -8.687 12.305 -7.592 1079 HD1 HIS 136 HD1 HIS 136 -7.063 12.838 -5.847 1080 HD2 HIS 136 HD2 HIS 136 -6.407 9.041 -7.371 1081 HE1 HIS 136 HE1 HIS 136 -4.990 12.029 -4.709 1082 HE2 HIS 136 HE2 HIS 136 -4.730 9.668 -5.490 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -3.080 19.985 -9.138 2 H2 MET 1 H2 MET 1 -2.880 19.342 -7.595 3 H3 MET 1 H3 MET 1 -1.636 19.210 -8.732 4 HA MET 1 HA MET 1 -1.312 21.571 -8.746 5 HB2 MET 1 HB2 MET 1 -3.449 21.639 -6.567 6 HB3 MET 1 HB3 MET 1 -2.530 23.023 -7.148 7 HG2 MET 1 HG2 MET 1 -3.580 22.777 -9.367 8 HG3 MET 1 HG3 MET 1 -4.502 21.398 -8.771 9 HE1 MET 1 HE1 MET 1 -3.684 24.833 -6.891 10 HE2 MET 1 HE2 MET 1 -5.130 25.751 -7.308 11 HE3 MET 1 HE3 MET 1 -3.980 25.306 -8.568 12 H LYS 2 H LYS 2 -2.248 20.555 -5.430 13 HA LYS 2 HA LYS 2 0.484 19.663 -4.808 14 HB2 LYS 2 HB2 LYS 2 -1.007 21.776 -3.176 15 HB3 LYS 2 HB3 LYS 2 0.408 20.905 -2.590 16 HG2 LYS 2 HG2 LYS 2 1.753 21.898 -4.438 17 HG3 LYS 2 HG3 LYS 2 0.333 22.804 -4.967 18 HD2 LYS 2 HD2 LYS 2 1.747 23.080 -2.280 19 HD3 LYS 2 HD3 LYS 2 1.847 24.220 -3.627 20 HE2 LYS 2 HE2 LYS 2 -0.583 24.668 -3.406 21 HE3 LYS 2 HE3 LYS 2 -0.665 23.541 -2.052 22 HZ1 LYS 2 HZ1 LYS 2 -0.531 25.773 -1.270 23 HZ2 LYS 2 HZ2 LYS 2 0.879 26.057 -2.155 24 HZ3 LYS 2 HZ3 LYS 2 0.898 24.963 -0.869 25 H LYS 3 H LYS 3 -0.138 17.546 -4.519 26 HA LYS 3 HA LYS 3 -2.651 16.850 -3.265 27 HB2 LYS 3 HB2 LYS 3 -0.469 14.895 -4.061 28 HB3 LYS 3 HB3 LYS 3 -2.184 14.573 -3.833 29 HG2 LYS 3 HG2 LYS 3 -2.510 16.289 -5.802 30 HG3 LYS 3 HG3 LYS 3 -0.801 15.981 -6.124 31 HD2 LYS 3 HD2 LYS 3 -1.454 13.474 -6.208 32 HD3 LYS 3 HD3 LYS 3 -3.141 14.044 -6.248 33 HE2 LYS 3 HE2 LYS 3 -2.694 15.287 -8.323 34 HE3 LYS 3 HE3 LYS 3 -0.986 14.844 -8.255 35 HZ1 LYS 3 HZ1 LYS 3 -1.542 12.573 -8.608 36 HZ2 LYS 3 HZ2 LYS 3 -2.317 13.487 -9.797 37 HZ3 LYS 3 HZ3 LYS 3 -3.196 12.894 -8.487 38 H GLU 4 H GLU 4 -2.980 16.545 -1.203 39 HA GLU 4 HA GLU 4 -0.993 16.729 0.810 40 HB2 GLU 4 HB2 GLU 4 -3.283 17.503 1.212 41 HB3 GLU 4 HB3 GLU 4 -3.920 15.875 0.977 42 HG2 GLU 4 HG2 GLU 4 -2.700 15.117 2.990 43 HG3 GLU 4 HG3 GLU 4 -2.071 16.745 3.221 44 H LYS 5 H LYS 5 0.217 15.211 1.770 45 HA LYS 5 HA LYS 5 0.087 12.421 1.119 46 HB2 LYS 5 HB2 LYS 5 2.222 13.588 1.667 47 HB3 LYS 5 HB3 LYS 5 1.650 13.850 3.314 48 HG2 LYS 5 HG2 LYS 5 1.498 11.293 3.523 49 HG3 LYS 5 HG3 LYS 5 2.356 11.214 1.984 50 HD2 LYS 5 HD2 LYS 5 3.947 10.938 3.798 51 HD3 LYS 5 HD3 LYS 5 4.247 12.485 3.001 52 HE2 LYS 5 HE2 LYS 5 3.081 13.671 4.821 53 HE3 LYS 5 HE3 LYS 5 2.690 12.138 5.605 54 HZ1 LYS 5 HZ1 LYS 5 4.578 13.207 6.623 55 HZ2 LYS 5 HZ2 LYS 5 5.411 13.220 5.156 56 HZ3 LYS 5 HZ3 LYS 5 5.052 11.751 5.906 57 H ILE 6 H ILE 6 -0.840 10.768 2.266 58 HA ILE 6 HA ILE 6 -2.006 11.226 4.947 59 HB ILE 6 HB ILE 6 -4.090 10.064 4.407 60 HG12 ILE 6 HG12 ILE 6 -3.031 9.756 1.556 61 HG13 ILE 6 HG13 ILE 6 -3.282 8.458 2.724 62 HG21 ILE 6 HG21 ILE 6 -3.612 12.233 2.322 63 HG22 ILE 6 HG22 ILE 6 -4.083 12.502 4.001 64 HG23 ILE 6 HG23 ILE 6 -5.191 11.683 2.899 65 HD11 ILE 6 HD11 ILE 6 -5.017 8.469 1.057 66 HD12 ILE 6 HD12 ILE 6 -5.434 10.136 1.447 67 HD13 ILE 6 HD13 ILE 6 -5.695 8.859 2.639 68 H HIS 7 H HIS 7 -1.176 9.678 6.336 69 HA HIS 7 HA HIS 7 -0.636 6.970 5.271 70 HB2 HIS 7 HB2 HIS 7 0.548 6.560 7.474 71 HB3 HIS 7 HB3 HIS 7 1.288 7.772 6.436 72 HD1 HIS 7 HD1 HIS 7 -0.818 7.527 9.577 73 HD2 HIS 7 HD2 HIS 7 1.660 10.226 7.617 74 HE1 HIS 7 HE1 HIS 7 -0.545 9.456 11.154 75 HE2 HIS 7 HE2 HIS 7 0.887 11.110 9.921 76 H LEU 8 H LEU 8 -2.136 5.448 5.535 77 HA LEU 8 HA LEU 8 -4.294 5.812 7.519 78 HB2 LEU 8 HB2 LEU 8 -4.154 3.783 5.244 79 HB3 LEU 8 HB3 LEU 8 -5.542 4.119 6.255 80 HG LEU 8 HG LEU 8 -6.082 5.150 4.225 81 HD11 LEU 8 HD11 LEU 8 -6.481 6.681 6.074 82 HD12 LEU 8 HD12 LEU 8 -6.120 7.554 4.585 83 HD13 LEU 8 HD13 LEU 8 -4.887 7.408 5.843 84 HD21 LEU 8 HD21 LEU 8 -3.283 6.296 4.007 85 HD22 LEU 8 HD22 LEU 8 -4.601 6.534 2.853 86 HD23 LEU 8 HD23 LEU 8 -3.929 4.923 3.100 87 H GLU 9 H GLU 9 -4.112 4.690 9.409 88 HA GLU 9 HA GLU 9 -2.039 2.603 9.641 89 HB2 GLU 9 HB2 GLU 9 -1.712 4.609 11.024 90 HB3 GLU 9 HB3 GLU 9 -3.299 4.398 11.759 91 HG2 GLU 9 HG2 GLU 9 -2.494 2.224 12.728 92 HG3 GLU 9 HG3 GLU 9 -0.893 2.570 12.069 93 H TYR 10 H TYR 10 -2.637 0.553 9.917 94 HA TYR 10 HA TYR 10 -5.240 -0.159 11.150 95 HB2 TYR 10 HB2 TYR 10 -3.844 -1.697 8.904 96 HB3 TYR 10 HB3 TYR 10 -5.438 -2.026 9.585 97 HD1 TYR 10 HD1 TYR 10 -7.247 -0.127 9.329 98 HD2 TYR 10 HD2 TYR 10 -3.679 -0.325 6.967 99 HE1 TYR 10 HE1 TYR 10 -8.278 1.331 7.641 100 HE2 TYR 10 HE2 TYR 10 -4.715 1.130 5.275 101 HH TYR 10 HH TYR 10 -6.985 1.778 4.535 102 H LEU 11 H LEU 11 -5.113 -1.644 12.806 103 HA LEU 11 HA LEU 11 -2.499 -2.919 13.356 104 HB2 LEU 11 HB2 LEU 11 -3.297 -3.193 15.725 105 HB3 LEU 11 HB3 LEU 11 -3.009 -1.544 15.222 106 HG LEU 11 HG LEU 11 -5.844 -2.642 15.213 107 HD11 LEU 11 HD11 LEU 11 -4.452 -1.475 17.645 108 HD12 LEU 11 HD12 LEU 11 -4.991 -3.146 17.452 109 HD13 LEU 11 HD13 LEU 11 -6.175 -1.842 17.509 110 HD21 LEU 11 HD21 LEU 11 -5.460 -0.455 14.130 111 HD22 LEU 11 HD22 LEU 11 -4.760 0.176 15.625 112 HD23 LEU 11 HD23 LEU 11 -6.463 -0.290 15.570 113 H LEU 12 H LEU 12 -2.452 -4.876 12.511 114 HA LEU 12 HA LEU 12 -4.742 -6.738 12.875 115 HB2 LEU 12 HB2 LEU 12 -2.613 -6.634 10.715 116 HB3 LEU 12 HB3 LEU 12 -3.509 -8.108 11.022 117 HG LEU 12 HG LEU 12 -4.516 -7.022 9.140 118 HD11 LEU 12 HD11 LEU 12 -6.060 -8.106 10.705 119 HD12 LEU 12 HD12 LEU 12 -6.824 -6.765 9.856 120 HD13 LEU 12 HD13 LEU 12 -6.314 -6.568 11.536 121 HD21 LEU 12 HD21 LEU 12 -4.797 -4.503 10.811 122 HD22 LEU 12 HD22 LEU 12 -5.427 -4.739 9.178 123 HD23 LEU 12 HD23 LEU 12 -3.688 -4.745 9.458 124 H ASN 13 H ASN 13 -4.448 -8.628 13.936 125 HA ASN 13 HA ASN 13 -1.829 -9.672 14.599 126 HB2 ASN 13 HB2 ASN 13 -2.205 -9.574 17.079 127 HB3 ASN 13 HB3 ASN 13 -2.006 -7.991 16.342 128 HD21 ASN 13 HD21 ASN 13 -3.322 -8.832 18.847 129 HD22 ASN 13 HD22 ASN 13 -4.918 -8.183 18.782 130 H ALA 14 H ALA 14 -2.295 -11.634 13.755 131 HA ALA 14 HA ALA 14 -3.262 -13.644 15.425 132 HB1 ALA 14 HB1 ALA 14 -5.259 -14.499 14.248 133 HB2 ALA 14 HB2 ALA 14 -5.215 -13.119 13.148 134 HB3 ALA 14 HB3 ALA 14 -5.549 -12.869 14.861 135 H THR 15 H THR 15 -3.980 -13.786 11.967 136 HA THR 15 HA THR 15 -1.488 -15.303 11.404 137 HB THR 15 HB THR 15 -2.800 -16.477 9.612 138 HG1 THR 15 HG1 THR 15 -4.730 -15.779 9.111 139 HG21 THR 15 HG21 THR 15 -4.087 -16.738 12.365 140 HG22 THR 15 HG22 THR 15 -2.630 -17.578 11.828 141 HG23 THR 15 HG23 THR 15 -4.179 -17.926 11.063 142 H SER 16 H SER 16 -3.596 -12.674 10.540 143 HA SER 16 HA SER 16 -2.467 -12.014 7.993 144 HB2 SER 16 HB2 SER 16 -4.022 -10.263 9.957 145 HB3 SER 16 HB3 SER 16 -3.703 -9.872 8.265 146 HG SER 16 HG SER 16 -5.620 -10.804 8.096 147 H LYS 17 H LYS 17 -0.211 -12.026 8.268 148 HA LYS 17 HA LYS 17 1.009 -10.022 10.088 149 HB2 LYS 17 HB2 LYS 17 2.225 -12.576 8.941 150 HB3 LYS 17 HB3 LYS 17 3.046 -11.443 10.017 151 HG2 LYS 17 HG2 LYS 17 1.176 -11.919 11.712 152 HG3 LYS 17 HG3 LYS 17 0.692 -13.249 10.655 153 HD2 LYS 17 HD2 LYS 17 2.095 -14.141 12.410 154 HD3 LYS 17 HD3 LYS 17 3.006 -14.208 10.900 155 HE2 LYS 17 HE2 LYS 17 4.250 -12.173 11.550 156 HE3 LYS 17 HE3 LYS 17 3.312 -12.053 13.038 157 HZ1 LYS 17 HZ1 LYS 17 5.200 -14.223 12.302 158 HZ2 LYS 17 HZ2 LYS 17 4.240 -14.216 13.694 159 HZ3 LYS 17 HZ3 LYS 17 5.429 -13.032 13.483 160 H ASN 18 H ASN 18 3.627 -10.074 8.855 161 HA ASN 18 HA ASN 18 3.563 -7.933 7.112 162 HB2 ASN 18 HB2 ASN 18 5.925 -8.481 6.547 163 HB3 ASN 18 HB3 ASN 18 5.604 -8.628 8.271 164 HD21 ASN 18 HD21 ASN 18 5.572 -10.708 9.214 165 HD22 ASN 18 HD22 ASN 18 6.226 -12.087 8.411 166 H ILE 19 H ILE 19 3.075 -11.258 6.267 167 HA ILE 19 HA ILE 19 3.755 -11.353 3.557 168 HB ILE 19 HB ILE 19 1.678 -13.000 5.050 169 HG12 ILE 19 HG12 ILE 19 3.588 -14.811 4.811 170 HG13 ILE 19 HG13 ILE 19 4.644 -13.438 4.509 171 HG21 ILE 19 HG21 ILE 19 2.857 -13.561 2.309 172 HG22 ILE 19 HG22 ILE 19 1.178 -13.145 2.665 173 HG23 ILE 19 HG23 ILE 19 1.844 -14.678 3.229 174 HD11 ILE 19 HD11 ILE 19 4.083 -12.554 6.725 175 HD12 ILE 19 HD12 ILE 19 4.776 -14.174 6.795 176 HD13 ILE 19 HD13 ILE 19 3.040 -13.951 7.005 177 H LEU 20 H LEU 20 0.931 -9.942 5.073 178 HA LEU 20 HA LEU 20 -1.124 -9.908 3.283 179 HB2 LEU 20 HB2 LEU 20 -0.050 -7.587 4.935 180 HB3 LEU 20 HB3 LEU 20 -1.591 -7.507 4.096 181 HG LEU 20 HG LEU 20 -0.974 -9.557 6.260 182 HD11 LEU 20 HD11 LEU 20 -0.836 -7.321 7.253 183 HD12 LEU 20 HD12 LEU 20 -2.287 -8.158 7.803 184 HD13 LEU 20 HD13 LEU 20 -2.414 -6.897 6.572 185 HD21 LEU 20 HD21 LEU 20 -3.614 -8.716 5.012 186 HD22 LEU 20 HD22 LEU 20 -3.412 -9.877 6.326 187 HD23 LEU 20 HD23 LEU 20 -2.765 -10.239 4.730 188 H TRP 21 H TRP 21 1.349 -7.333 3.304 189 HA TRP 21 HA TRP 21 0.761 -6.660 0.504 190 HB2 TRP 21 HB2 TRP 21 2.186 -5.101 2.681 191 HB3 TRP 21 HB3 TRP 21 2.024 -4.546 1.019 192 HD1 TRP 21 HD1 TRP 21 -0.044 -5.028 4.232 193 HE1 TRP 21 HE1 TRP 21 -2.246 -3.730 3.978 194 HE3 TRP 21 HE3 TRP 21 0.308 -3.743 -0.719 195 HZ2 TRP 21 HZ2 TRP 21 -3.664 -2.360 1.971 196 HZ3 TRP 21 HZ3 TRP 21 -1.521 -2.429 -1.730 197 HH2 TRP 21 HH2 TRP 21 -3.469 -1.750 -0.409 198 H SER 22 H SER 22 3.156 -8.371 2.291 199 HA SER 22 HA SER 22 5.582 -7.640 1.080 200 HB2 SER 22 HB2 SER 22 6.491 -9.742 1.833 201 HB3 SER 22 HB3 SER 22 5.229 -9.336 2.998 202 HG SER 22 HG SER 22 3.840 -10.721 1.600 203 H ALA 23 H ALA 23 2.976 -9.488 -0.214 204 HA ALA 23 HA ALA 23 4.119 -10.941 -2.313 205 HB1 ALA 23 HB1 ALA 23 1.818 -11.079 -3.165 206 HB2 ALA 23 HB2 ALA 23 1.339 -9.748 -2.109 207 HB3 ALA 23 HB3 ALA 23 1.853 -11.285 -1.413 208 H ILE 24 H ILE 24 3.268 -7.505 -2.181 209 HA ILE 24 HA ILE 24 2.865 -7.016 -4.952 210 HB ILE 24 HB ILE 24 2.942 -4.627 -4.438 211 HG12 ILE 24 HG12 ILE 24 4.228 -5.488 -1.811 212 HG13 ILE 24 HG13 ILE 24 4.858 -4.363 -3.002 213 HG21 ILE 24 HG21 ILE 24 1.170 -4.517 -2.722 214 HG22 ILE 24 HG22 ILE 24 1.543 -6.167 -2.220 215 HG23 ILE 24 HG23 ILE 24 0.900 -5.859 -3.835 216 HD11 ILE 24 HD11 ILE 24 4.161 -3.204 -1.021 217 HD12 ILE 24 HD12 ILE 24 2.548 -3.897 -1.122 218 HD13 ILE 24 HD13 ILE 24 3.096 -2.753 -2.353 219 H SER 25 H SER 25 5.788 -7.239 -3.092 220 HA SER 25 HA SER 25 7.522 -5.670 -4.754 221 HB2 SER 25 HB2 SER 25 9.332 -6.586 -3.373 222 HB3 SER 25 HB3 SER 25 7.961 -6.181 -2.344 223 HG SER 25 HG SER 25 7.708 -8.210 -1.852 224 H THR 26 H THR 26 6.687 -9.121 -4.611 225 HA THR 26 HA THR 26 8.462 -9.813 -6.841 226 HB THR 26 HB THR 26 7.518 -12.144 -6.559 227 HG1 THR 26 HG1 THR 26 5.650 -10.905 -5.154 228 HG21 THR 26 HG21 THR 26 9.609 -11.530 -5.436 229 HG22 THR 26 HG22 THR 26 8.662 -12.633 -4.431 230 HG23 THR 26 HG23 THR 26 8.705 -10.907 -4.050 231 HA PRO 27 HA PRO 27 5.363 -9.484 -10.145 232 HB2 PRO 27 HB2 PRO 27 6.185 -11.770 -11.595 233 HB3 PRO 27 HB3 PRO 27 6.835 -10.136 -11.790 234 HG2 PRO 27 HG2 PRO 27 7.903 -12.425 -10.135 235 HG3 PRO 27 HG3 PRO 27 8.791 -11.270 -11.158 236 HD2 PRO 27 HD2 PRO 27 8.779 -10.986 -8.516 237 HD3 PRO 27 HD3 PRO 27 8.619 -9.551 -9.551 238 H THR 28 H THR 28 5.944 -12.978 -9.331 239 HA THR 28 HA THR 28 3.321 -13.838 -9.914 240 HB THR 28 HB THR 28 3.912 -15.957 -8.764 241 HG1 THR 28 HG1 THR 28 6.491 -15.200 -8.134 242 HG21 THR 28 HG21 THR 28 5.900 -16.553 -10.105 243 HG22 THR 28 HG22 THR 28 6.229 -14.843 -10.402 244 HG23 THR 28 HG23 THR 28 4.771 -15.589 -11.063 245 H GLY 29 H GLY 29 4.692 -12.677 -6.876 246 HA2 GLY 29 HA2 GLY 29 2.529 -13.344 -5.140 247 HA3 GLY 29 HA3 GLY 29 3.756 -12.117 -4.855 248 H LEU 30 H LEU 30 3.256 -10.423 -7.046 249 HA LEU 30 HA LEU 30 1.025 -8.880 -6.161 250 HB2 LEU 30 HB2 LEU 30 3.152 -8.025 -7.280 251 HB3 LEU 30 HB3 LEU 30 2.510 -8.633 -8.795 252 HG LEU 30 HG LEU 30 0.635 -7.051 -8.687 253 HD11 LEU 30 HD11 LEU 30 1.876 -6.000 -6.133 254 HD12 LEU 30 HD12 LEU 30 0.355 -6.887 -6.257 255 HD13 LEU 30 HD13 LEU 30 0.506 -5.296 -6.995 256 HD21 LEU 30 HD21 LEU 30 1.899 -4.980 -9.063 257 HD22 LEU 30 HD22 LEU 30 2.691 -6.357 -9.824 258 HD23 LEU 30 HD23 LEU 30 3.325 -5.698 -8.311 259 H GLU 31 H GLU 31 1.547 -11.076 -8.911 260 HA GLU 31 HA GLU 31 -0.876 -10.750 -10.316 261 HB2 GLU 31 HB2 GLU 31 0.961 -13.172 -10.102 262 HB3 GLU 31 HB3 GLU 31 -0.367 -13.050 -11.256 263 HG2 GLU 31 HG2 GLU 31 0.699 -11.136 -12.326 264 HG3 GLU 31 HG3 GLU 31 1.986 -11.154 -11.127 265 H ASP 32 H ASP 32 -0.293 -12.321 -7.305 266 HA ASP 32 HA ASP 32 -2.357 -14.224 -7.166 267 HB2 ASP 32 HB2 ASP 32 -0.412 -13.956 -5.579 268 HB3 ASP 32 HB3 ASP 32 -1.192 -12.532 -4.909 269 H TRP 33 H TRP 33 -2.483 -10.705 -6.887 270 HA TRP 33 HA TRP 33 -5.378 -10.673 -6.593 271 HB2 TRP 33 HB2 TRP 33 -5.373 -9.379 -4.473 272 HB3 TRP 33 HB3 TRP 33 -4.701 -10.988 -4.268 273 HD1 TRP 33 HD1 TRP 33 -1.712 -10.803 -4.657 274 HE1 TRP 33 HE1 TRP 33 -0.212 -9.271 -3.250 275 HE3 TRP 33 HE3 TRP 33 -5.225 -7.420 -3.111 276 HZ2 TRP 33 HZ2 TRP 33 -0.468 -6.948 -1.669 277 HZ3 TRP 33 HZ3 TRP 33 -4.517 -5.573 -1.641 278 HH2 TRP 33 HH2 TRP 33 -2.186 -5.345 -0.934 279 H PHE 34 H PHE 34 -2.976 -9.456 -8.252 280 HA PHE 34 HA PHE 34 -4.313 -6.882 -8.755 281 HB2 PHE 34 HB2 PHE 34 -2.376 -6.485 -7.114 282 HB3 PHE 34 HB3 PHE 34 -1.289 -7.022 -8.374 283 HD1 PHE 34 HD2 PHE 34 -3.763 -4.362 -7.500 284 HD2 PHE 34 HD1 PHE 34 -0.570 -5.500 -10.118 285 HE1 PHE 34 HE2 PHE 34 -3.655 -2.068 -8.385 286 HE2 PHE 34 HE1 PHE 34 -0.477 -3.201 -10.991 287 HZ PHE 34 HZ PHE 34 -2.016 -1.486 -10.127 288 H ALA 35 H ALA 35 -4.556 -6.608 -10.907 289 HA ALA 35 HA ALA 35 -4.455 -6.788 -13.146 290 HB1 ALA 35 HB1 ALA 35 -2.256 -5.698 -12.854 291 HB2 ALA 35 HB2 ALA 35 -2.274 -6.771 -14.256 292 HB3 ALA 35 HB3 ALA 35 -1.484 -7.282 -12.761 293 H ASP 36 H ASP 36 -3.784 -8.266 -15.072 294 HA ASP 36 HA ASP 36 -4.642 -10.979 -14.430 295 HB2 ASP 36 HB2 ASP 36 -3.990 -9.672 -17.113 296 HB3 ASP 36 HB3 ASP 36 -4.705 -11.272 -16.908 297 H LYS 37 H LYS 37 -1.724 -9.401 -15.707 298 HA LYS 37 HA LYS 37 -0.037 -11.501 -14.642 299 HB2 LYS 37 HB2 LYS 37 -0.765 -12.235 -17.032 300 HB3 LYS 37 HB3 LYS 37 0.201 -10.903 -17.638 301 HG2 LYS 37 HG2 LYS 37 1.368 -13.073 -15.872 302 HG3 LYS 37 HG3 LYS 37 1.229 -13.265 -17.616 303 HD2 LYS 37 HD2 LYS 37 2.758 -11.462 -18.036 304 HD3 LYS 37 HD3 LYS 37 2.711 -10.930 -16.354 305 HE2 LYS 37 HE2 LYS 37 3.867 -13.583 -17.284 306 HE3 LYS 37 HE3 LYS 37 4.811 -12.133 -16.931 307 HZ1 LYS 37 HZ1 LYS 37 3.078 -13.556 -14.979 308 HZ2 LYS 37 HZ2 LYS 37 4.046 -12.207 -14.655 309 HZ3 LYS 37 HZ3 LYS 37 4.762 -13.681 -15.067 310 H VAL 38 H VAL 38 1.748 -10.462 -13.805 311 HA VAL 38 HA VAL 38 2.566 -7.868 -14.993 312 HB VAL 38 HB VAL 38 3.200 -6.949 -12.897 313 HG11 VAL 38 HG11 VAL 38 0.546 -8.347 -12.417 314 HG12 VAL 38 HG12 VAL 38 0.781 -6.831 -13.288 315 HG13 VAL 38 HG13 VAL 38 1.132 -6.914 -11.560 316 HG21 VAL 38 HG21 VAL 38 2.715 -9.627 -11.552 317 HG22 VAL 38 HG22 VAL 38 3.116 -8.125 -10.717 318 HG23 VAL 38 HG23 VAL 38 4.275 -8.853 -11.826 319 H VAL 39 H VAL 39 4.555 -7.760 -15.755 320 HA VAL 39 HA VAL 39 6.565 -9.843 -15.172 321 HB VAL 39 HB VAL 39 6.636 -7.645 -17.298 322 HG11 VAL 39 HG11 VAL 39 8.305 -10.188 -17.072 323 HG12 VAL 39 HG12 VAL 39 8.880 -8.550 -16.750 324 HG13 VAL 39 HG13 VAL 39 8.392 -9.009 -18.384 325 HG21 VAL 39 HG21 VAL 39 4.696 -9.125 -17.696 326 HG22 VAL 39 HG22 VAL 39 5.751 -10.541 -17.640 327 HG23 VAL 39 HG23 VAL 39 5.934 -9.358 -18.938 328 H SER 40 H SER 40 8.479 -9.361 -14.084 329 HA SER 40 HA SER 40 9.120 -6.518 -13.464 330 HB2 SER 40 HB2 SER 40 8.122 -7.497 -11.451 331 HB3 SER 40 HB3 SER 40 9.230 -8.868 -11.523 332 HG SER 40 HG SER 40 9.699 -6.221 -10.742 333 H ASP 41 H ASP 41 11.213 -5.938 -13.690 334 HA ASP 41 HA ASP 41 13.145 -7.921 -14.716 335 HB2 ASP 41 HB2 ASP 41 13.330 -4.879 -14.749 336 HB3 ASP 41 HB3 ASP 41 14.340 -6.009 -15.652 337 H ASP 42 H ASP 42 13.254 -5.036 -12.593 338 HA ASP 42 HA ASP 42 14.860 -6.346 -10.557 339 HB2 ASP 42 HB2 ASP 42 16.589 -5.730 -12.230 340 HB3 ASP 42 HB3 ASP 42 16.013 -4.071 -12.248 341 H LYS 43 H LYS 43 14.403 -2.974 -11.631 342 HA LYS 43 HA LYS 43 12.976 -2.294 -9.117 343 HB2 LYS 43 HB2 LYS 43 14.009 0.018 -9.398 344 HB3 LYS 43 HB3 LYS 43 15.138 -1.266 -8.977 345 HG2 LYS 43 HG2 LYS 43 15.956 -1.385 -11.261 346 HG3 LYS 43 HG3 LYS 43 14.742 -0.219 -11.806 347 HD2 LYS 43 HD2 LYS 43 15.791 1.559 -10.522 348 HD3 LYS 43 HD3 LYS 43 16.894 0.419 -9.743 349 HE2 LYS 43 HE2 LYS 43 16.876 0.980 -12.735 350 HE3 LYS 43 HE3 LYS 43 17.941 1.789 -11.584 351 HZ1 LYS 43 HZ1 LYS 43 18.889 -0.354 -11.007 352 HZ2 LYS 43 HZ2 LYS 43 19.037 -0.069 -12.668 353 HZ3 LYS 43 HZ3 LYS 43 17.862 -1.137 -12.098 354 H THR 44 H THR 44 11.981 -3.109 -11.856 355 HA THR 44 HA THR 44 9.834 -1.098 -11.920 356 HB THR 44 HB THR 44 11.223 -2.013 -14.484 357 HG1 THR 44 HG1 THR 44 11.394 0.312 -12.939 358 HG21 THR 44 HG21 THR 44 9.692 -0.483 -15.678 359 HG22 THR 44 HG22 THR 44 8.866 -0.114 -14.163 360 HG23 THR 44 HG23 THR 44 8.780 -1.743 -14.841 361 H VAL 45 H VAL 45 7.896 -2.089 -11.919 362 HA VAL 45 HA VAL 45 7.588 -4.838 -12.996 363 HB VAL 45 HB VAL 45 5.772 -3.531 -10.908 364 HG11 VAL 45 HG11 VAL 45 4.682 -5.303 -12.247 365 HG12 VAL 45 HG12 VAL 45 4.899 -5.827 -10.576 366 HG13 VAL 45 HG13 VAL 45 5.981 -6.428 -11.836 367 HG21 VAL 45 HG21 VAL 45 8.004 -5.544 -10.402 368 HG22 VAL 45 HG22 VAL 45 6.842 -4.971 -9.202 369 HG23 VAL 45 HG23 VAL 45 8.008 -3.850 -9.906 370 H THR 46 H THR 46 6.637 -4.758 -14.959 371 HA THR 46 HA THR 46 4.751 -2.647 -15.725 372 HB THR 46 HB THR 46 5.864 -4.947 -17.408 373 HG1 THR 46 HG1 THR 46 7.541 -3.702 -17.803 374 HG21 THR 46 HG21 THR 46 3.762 -3.986 -18.336 375 HG22 THR 46 HG22 THR 46 5.157 -3.608 -19.350 376 HG23 THR 46 HG23 THR 46 4.486 -2.374 -18.281 377 H PHE 47 H PHE 47 2.632 -2.961 -15.280 378 HA PHE 47 HA PHE 47 1.552 -5.639 -14.760 379 HB2 PHE 47 HB2 PHE 47 -0.168 -3.162 -14.599 380 HB3 PHE 47 HB3 PHE 47 -0.186 -4.601 -13.594 381 HD1 PHE 47 HD1 PHE 47 1.964 -4.927 -12.073 382 HD2 PHE 47 HD2 PHE 47 0.699 -1.201 -13.728 383 HE1 PHE 47 HE1 PHE 47 3.185 -3.723 -10.313 384 HE2 PHE 47 HE2 PHE 47 1.922 -0.001 -11.964 385 HZ PHE 47 HZ PHE 47 3.170 -1.261 -10.249 386 H CYS 48 H CYS 48 0.767 -6.731 -16.485 387 HA CYS 48 HA CYS 48 -0.510 -5.351 -18.751 388 HB2 CYS 48 HB2 CYS 48 1.090 -7.128 -19.305 389 HB3 CYS 48 HB3 CYS 48 0.162 -8.295 -18.368 390 HG CYS 48 HG CYS 48 -2.080 -8.183 -20.066 391 H TRP 49 H TRP 49 -2.584 -4.834 -18.425 392 HA TRP 49 HA TRP 49 -4.498 -6.758 -17.276 393 HB2 TRP 49 HB2 TRP 49 -4.792 -3.847 -18.135 394 HB3 TRP 49 HB3 TRP 49 -6.135 -4.841 -17.584 395 HD1 TRP 49 HD1 TRP 49 -6.126 -5.570 -14.959 396 HE1 TRP 49 HE1 TRP 49 -5.140 -4.380 -12.909 397 HE3 TRP 49 HE3 TRP 49 -2.831 -2.448 -17.324 398 HZ2 TRP 49 HZ2 TRP 49 -3.217 -2.392 -12.351 399 HZ3 TRP 49 HZ3 TRP 49 -1.455 -0.925 -15.963 400 HH2 TRP 49 HH2 TRP 49 -1.645 -0.898 -13.519 401 H GLY 50 H GLY 50 -5.244 -8.245 -18.671 402 HA2 GLY 50 HA2 GLY 50 -6.250 -9.214 -20.506 403 HA3 GLY 50 HA3 GLY 50 -6.536 -7.607 -21.163 404 H LYS 51 H LYS 51 -5.395 -7.070 -22.963 405 HA LYS 51 HA LYS 51 -2.900 -8.542 -23.637 406 HB2 LYS 51 HB2 LYS 51 -5.132 -7.599 -25.488 407 HB3 LYS 51 HB3 LYS 51 -3.538 -8.048 -26.083 408 HG2 LYS 51 HG2 LYS 51 -5.404 -9.908 -24.566 409 HG3 LYS 51 HG3 LYS 51 -5.230 -9.849 -26.327 410 HD2 LYS 51 HD2 LYS 51 -2.807 -10.432 -26.068 411 HD3 LYS 51 HD3 LYS 51 -3.049 -10.576 -24.321 412 HE2 LYS 51 HE2 LYS 51 -4.613 -12.433 -24.676 413 HE3 LYS 51 HE3 LYS 51 -4.467 -12.252 -26.428 414 HZ1 LYS 51 HZ1 LYS 51 -2.284 -12.993 -24.568 415 HZ2 LYS 51 HZ2 LYS 51 -2.126 -12.800 -26.241 416 HZ3 LYS 51 HZ3 LYS 51 -3.098 -14.036 -25.623 417 H THR 52 H THR 52 -4.491 -5.599 -24.979 418 HA THR 52 HA THR 52 -1.851 -4.264 -25.015 419 HB THR 52 HB THR 52 -4.371 -3.394 -26.512 420 HG1 THR 52 HG1 THR 52 -3.839 -5.420 -27.269 421 HG21 THR 52 HG21 THR 52 -1.434 -2.758 -27.034 422 HG22 THR 52 HG22 THR 52 -2.602 -1.642 -26.320 423 HG23 THR 52 HG23 THR 52 -2.807 -2.186 -27.987 424 H GLU 53 H GLU 53 -2.232 -4.014 -22.628 425 HA GLU 53 HA GLU 53 -2.715 -1.278 -22.038 426 HB2 GLU 53 HB2 GLU 53 -5.116 -2.434 -22.022 427 HB3 GLU 53 HB3 GLU 53 -4.624 -3.050 -20.454 428 HG2 GLU 53 HG2 GLU 53 -4.572 -0.091 -21.096 429 HG3 GLU 53 HG3 GLU 53 -6.053 -0.882 -20.578 430 H GLN 54 H GLN 54 -0.454 -2.251 -21.781 431 HA GLN 54 HA GLN 54 -0.010 -3.235 -19.022 432 HB2 GLN 54 HB2 GLN 54 2.190 -4.083 -19.798 433 HB3 GLN 54 HB3 GLN 54 0.850 -4.833 -20.638 434 HG2 GLN 54 HG2 GLN 54 2.312 -2.527 -21.922 435 HG3 GLN 54 HG3 GLN 54 3.024 -4.135 -21.942 436 HE21 GLN 54 HE21 GLN 54 2.908 -4.259 -24.191 437 HE22 GLN 54 HE22 GLN 54 1.419 -4.465 -25.042 438 H ARG 55 H ARG 55 0.995 -1.895 -17.575 439 HA ARG 55 HA ARG 55 2.312 0.560 -18.615 440 HB2 ARG 55 HB2 ARG 55 0.445 0.479 -16.207 441 HB3 ARG 55 HB3 ARG 55 1.303 1.892 -16.835 442 HG2 ARG 55 HG2 ARG 55 -0.029 1.096 -19.083 443 HG3 ARG 55 HG3 ARG 55 -1.164 0.550 -17.845 444 HD2 ARG 55 HD2 ARG 55 -0.151 3.356 -18.348 445 HD3 ARG 55 HD3 ARG 55 -1.802 2.766 -18.548 446 HE ARG 55 HE ARG 55 -0.586 3.766 -16.179 447 HH11 ARG 55 HH11 ARG 55 -2.910 1.367 -17.128 448 HH12 ARG 55 HH12 ARG 55 -3.816 1.547 -15.669 449 HH21 ARG 55 HH21 ARG 55 -1.746 3.969 -14.365 450 HH22 ARG 55 HH22 ARG 55 -3.163 3.006 -14.115 451 H GLN 56 H GLN 56 4.186 1.034 -17.755 452 HA GLN 56 HA GLN 56 5.482 -0.867 -15.966 453 HB2 GLN 56 HB2 GLN 56 6.698 1.627 -17.243 454 HB3 GLN 56 HB3 GLN 56 7.552 0.205 -16.642 455 HG2 GLN 56 HG2 GLN 56 6.505 -1.148 -18.462 456 HG3 GLN 56 HG3 GLN 56 5.727 0.315 -19.061 457 HE21 GLN 56 HE21 GLN 56 8.733 -1.410 -18.781 458 HE22 GLN 56 HE22 GLN 56 9.629 -0.431 -19.885 459 H ALA 57 H ALA 57 6.129 -0.448 -13.840 460 HA ALA 57 HA ALA 57 5.923 2.332 -12.793 461 HB1 ALA 57 HB1 ALA 57 5.001 1.489 -10.680 462 HB2 ALA 57 HB2 ALA 57 4.983 -0.159 -11.315 463 HB3 ALA 57 HB3 ALA 57 3.940 1.074 -12.027 464 H GLY 58 H GLY 58 7.850 2.963 -12.132 465 HA2 GLY 58 HA2 GLY 58 10.022 1.128 -11.536 466 HA3 GLY 58 HA3 GLY 58 10.101 2.880 -11.623 467 H ILE 59 H ILE 59 10.345 0.330 -9.538 468 HA ILE 59 HA ILE 59 9.254 1.378 -7.122 469 HB ILE 59 HB ILE 59 11.568 -0.601 -7.486 470 HG12 ILE 59 HG12 ILE 59 9.820 -2.285 -6.612 471 HG13 ILE 59 HG13 ILE 59 8.610 -1.035 -6.854 472 HG21 ILE 59 HG21 ILE 59 11.329 -1.144 -5.069 473 HG22 ILE 59 HG22 ILE 59 10.134 0.144 -4.897 474 HG23 ILE 59 HG23 ILE 59 11.804 0.543 -5.313 475 HD11 ILE 59 HD11 ILE 59 10.310 -2.298 -9.003 476 HD12 ILE 59 HD12 ILE 59 9.081 -1.055 -9.251 477 HD13 ILE 59 HD13 ILE 59 8.616 -2.645 -8.654 478 H VAL 60 H VAL 60 9.951 3.134 -5.999 479 HA VAL 60 HA VAL 60 12.342 4.545 -6.791 480 HB VAL 60 HB VAL 60 10.487 5.240 -4.466 481 HG11 VAL 60 HG11 VAL 60 12.625 6.491 -4.494 482 HG12 VAL 60 HG12 VAL 60 11.267 7.560 -4.841 483 HG13 VAL 60 HG13 VAL 60 12.310 7.013 -6.154 484 HG21 VAL 60 HG21 VAL 60 9.100 4.970 -6.487 485 HG22 VAL 60 HG22 VAL 60 10.157 6.067 -7.382 486 HG23 VAL 60 HG23 VAL 60 9.201 6.674 -6.027 487 H ALA 61 H ALA 61 11.158 2.937 -3.813 488 HA ALA 61 HA ALA 61 13.811 2.095 -3.047 489 HB1 ALA 61 HB1 ALA 61 12.400 4.118 -1.268 490 HB2 ALA 61 HB2 ALA 61 13.865 4.411 -2.206 491 HB3 ALA 61 HB3 ALA 61 13.892 3.257 -0.873 492 H ILE 62 H ILE 62 13.836 0.600 -1.326 493 HA ILE 62 HA ILE 62 11.473 -0.218 0.114 494 HB ILE 62 HB ILE 62 10.945 -1.449 -1.916 495 HG12 ILE 62 HG12 ILE 62 12.112 -3.331 0.199 496 HG13 ILE 62 HG13 ILE 62 10.475 -2.693 0.150 497 HG21 ILE 62 HG21 ILE 62 13.137 -1.424 -3.008 498 HG22 ILE 62 HG22 ILE 62 12.460 -3.051 -3.008 499 HG23 ILE 62 HG23 ILE 62 13.743 -2.631 -1.872 500 HD11 ILE 62 HD11 ILE 62 11.690 -4.671 -1.776 501 HD12 ILE 62 HD12 ILE 62 10.058 -4.010 -1.888 502 HD13 ILE 62 HD13 ILE 62 10.511 -5.003 -0.507 503 H ARG 63 H ARG 63 11.976 -1.557 1.907 504 HA ARG 63 HA ARG 63 14.616 -2.683 2.299 505 HB2 ARG 63 HB2 ARG 63 14.978 -0.272 2.891 506 HB3 ARG 63 HB3 ARG 63 13.751 -0.412 4.142 507 HG2 ARG 63 HG2 ARG 63 15.154 -2.083 5.325 508 HG3 ARG 63 HG3 ARG 63 16.388 -1.926 4.065 509 HD2 ARG 63 HD2 ARG 63 16.615 0.492 4.643 510 HD3 ARG 63 HD3 ARG 63 15.439 0.271 5.949 511 HE ARG 63 HE ARG 63 18.107 -1.028 5.826 512 HH11 ARG 63 HH11 ARG 63 15.508 0.251 7.740 513 HH12 ARG 63 HH12 ARG 63 16.386 0.067 9.214 514 HH21 ARG 63 HH21 ARG 63 19.196 -1.215 7.728 515 HH22 ARG 63 HH22 ARG 63 18.438 -0.737 9.209 516 H ALA 64 H ALA 64 13.883 -4.619 2.837 517 HA ALA 64 HA ALA 64 12.942 -6.373 3.855 518 HB1 ALA 64 HB1 ALA 64 12.748 -6.343 6.296 519 HB2 ALA 64 HB2 ALA 64 12.841 -4.581 6.298 520 HB3 ALA 64 HB3 ALA 64 14.232 -5.535 5.777 521 H TYR 65 H TYR 65 11.016 -4.021 5.711 522 HA TYR 65 HA TYR 65 8.550 -4.580 4.267 523 HB2 TYR 65 HB2 TYR 65 7.374 -5.694 6.040 524 HB3 TYR 65 HB3 TYR 65 8.889 -6.557 5.850 525 HD1 TYR 65 HD2 TYR 65 10.757 -4.820 7.489 526 HD2 TYR 65 HD1 TYR 65 6.757 -6.094 8.277 527 HE1 TYR 65 HE2 TYR 65 11.136 -4.532 9.899 528 HE2 TYR 65 HE1 TYR 65 7.133 -5.805 10.668 529 HH TYR 65 HH TYR 65 9.739 -4.102 11.949 530 H SER 66 H SER 66 10.483 -2.563 6.093 531 HA SER 66 HA SER 66 8.480 -1.055 7.543 532 HB2 SER 66 HB2 SER 66 11.457 -0.529 7.157 533 HB3 SER 66 HB3 SER 66 10.403 0.352 8.262 534 HG SER 66 HG SER 66 11.745 -1.712 8.888 535 H PHE 67 H PHE 67 9.326 -1.053 4.328 536 HA PHE 67 HA PHE 67 7.604 0.913 3.566 537 HB2 PHE 67 HB2 PHE 67 8.951 2.784 2.674 538 HB3 PHE 67 HB3 PHE 67 9.077 2.674 4.419 539 HD1 PHE 67 HD1 PHE 67 10.921 2.261 1.225 540 HD2 PHE 67 HD2 PHE 67 11.215 2.217 5.491 541 HE1 PHE 67 HE1 PHE 67 13.364 2.419 1.065 542 HE2 PHE 67 HE2 PHE 67 13.661 2.376 5.319 543 HZ PHE 67 HZ PHE 67 14.733 2.481 3.104 544 H ILE 68 H ILE 68 7.171 0.833 1.425 545 HA ILE 68 HA ILE 68 9.171 0.064 -0.543 546 HB ILE 68 HB ILE 68 8.252 -2.136 0.118 547 HG12 ILE 68 HG12 ILE 68 7.274 -1.282 -2.653 548 HG13 ILE 68 HG13 ILE 68 8.904 -1.827 -2.259 549 HG21 ILE 68 HG21 ILE 68 6.073 -1.446 0.985 550 HG22 ILE 68 HG22 ILE 68 5.866 -2.717 -0.222 551 HG23 ILE 68 HG23 ILE 68 5.528 -1.035 -0.643 552 HD11 ILE 68 HD11 ILE 68 7.632 -3.566 -3.353 553 HD12 ILE 68 HD12 ILE 68 6.399 -3.494 -2.097 554 HD13 ILE 68 HD13 ILE 68 8.031 -4.039 -1.703 555 H ARG 69 H ARG 69 8.817 1.176 -2.468 556 HA ARG 69 HA ARG 69 6.339 2.816 -2.660 557 HB2 ARG 69 HB2 ARG 69 9.216 3.789 -2.942 558 HB3 ARG 69 HB3 ARG 69 7.816 4.737 -3.416 559 HG2 ARG 69 HG2 ARG 69 8.127 5.627 -1.333 560 HG3 ARG 69 HG3 ARG 69 7.087 4.285 -0.891 561 HD2 ARG 69 HD2 ARG 69 8.736 4.067 0.707 562 HD3 ARG 69 HD3 ARG 69 9.393 3.014 -0.543 563 HE ARG 69 HE ARG 69 10.791 4.959 -1.235 564 HH11 ARG 69 HH11 ARG 69 9.600 4.893 2.027 565 HH12 ARG 69 HH12 ARG 69 10.919 5.832 2.630 566 HH21 ARG 69 HH21 ARG 69 12.450 6.177 -0.423 567 HH22 ARG 69 HH22 ARG 69 12.509 6.553 1.261 568 H PHE 70 H PHE 70 5.346 2.407 -4.565 569 HA PHE 70 HA PHE 70 6.955 1.903 -7.028 570 HB2 PHE 70 HB2 PHE 70 3.996 1.369 -6.489 571 HB3 PHE 70 HB3 PHE 70 4.802 1.086 -8.024 572 HD1 PHE 70 HD2 PHE 70 4.700 -0.004 -4.460 573 HD2 PHE 70 HD1 PHE 70 5.911 -0.982 -8.447 574 HE1 PHE 70 HE2 PHE 70 5.201 -2.299 -3.754 575 HE2 PHE 70 HE1 PHE 70 6.397 -3.286 -7.723 576 HZ PHE 70 HZ PHE 70 6.039 -3.941 -5.379 577 H HIS 71 H HIS 71 7.208 3.706 -8.270 578 HA HIS 71 HA HIS 71 4.976 5.648 -8.568 579 HB2 HIS 71 HB2 HIS 71 7.028 6.785 -7.927 580 HB3 HIS 71 HB3 HIS 71 7.961 5.930 -9.150 581 HD1 HIS 71 HD1 HIS 71 5.176 8.526 -8.928 582 HD2 HIS 71 HD2 HIS 71 8.153 7.280 -11.552 583 HE1 HIS 71 HE1 HIS 71 5.084 10.122 -10.860 584 HE2 HIS 71 HE2 HIS 71 6.802 9.277 -12.484 585 H TRP 72 H TRP 72 3.838 5.591 -10.438 586 HA TRP 72 HA TRP 72 4.423 3.684 -12.500 587 HB2 TRP 72 HB2 TRP 72 2.421 5.975 -12.543 588 HB3 TRP 72 HB3 TRP 72 2.487 4.659 -13.705 589 HD1 TRP 72 HD1 TRP 72 1.680 2.189 -12.805 590 HE1 TRP 72 HE1 TRP 72 0.016 1.583 -10.943 591 HE3 TRP 72 HE3 TRP 72 1.636 6.636 -10.264 592 HZ2 TRP 72 HZ2 TRP 72 -1.169 2.815 -8.696 593 HZ3 TRP 72 HZ3 TRP 72 0.208 6.841 -8.265 594 HH2 TRP 72 HH2 TRP 72 -1.166 4.967 -7.497 595 H LEU 73 H LEU 73 5.709 3.933 -14.232 596 HA LEU 73 HA LEU 73 7.097 6.359 -14.851 597 HB2 LEU 73 HB2 LEU 73 6.859 3.813 -16.508 598 HB3 LEU 73 HB3 LEU 73 8.054 5.086 -16.738 599 HG LEU 73 HG LEU 73 7.861 3.162 -14.379 600 HD11 LEU 73 HD11 LEU 73 10.053 2.366 -15.106 601 HD12 LEU 73 HD12 LEU 73 10.038 3.488 -16.469 602 HD13 LEU 73 HD13 LEU 73 8.858 2.177 -16.388 603 HD21 LEU 73 HD21 LEU 73 9.778 5.495 -14.727 604 HD22 LEU 73 HD22 LEU 73 9.886 4.255 -13.473 605 HD23 LEU 73 HD23 LEU 73 8.506 5.348 -13.510 606 H ASP 74 H ASP 74 4.121 4.913 -15.969 607 HA ASP 74 HA ASP 74 3.783 6.689 -18.250 608 HB2 ASP 74 HB2 ASP 74 2.895 4.322 -18.192 609 HB3 ASP 74 HB3 ASP 74 1.763 4.811 -16.931 610 H ASP 75 H ASP 75 2.012 6.207 -15.141 611 HA ASP 75 HA ASP 75 0.670 8.777 -15.304 612 HB2 ASP 75 HB2 ASP 75 0.753 6.900 -12.903 613 HB3 ASP 75 HB3 ASP 75 -0.457 8.129 -13.267 614 H GLU 76 H GLU 76 2.206 10.401 -15.211 615 HA GLU 76 HA GLU 76 4.065 10.559 -12.892 616 HB2 GLU 76 HB2 GLU 76 5.754 11.510 -14.448 617 HB3 GLU 76 HB3 GLU 76 5.285 9.879 -14.919 618 HG2 GLU 76 HG2 GLU 76 3.832 10.787 -16.686 619 HG3 GLU 76 HG3 GLU 76 4.233 12.428 -16.195 620 H ASN 77 H ASN 77 1.402 11.837 -13.332 621 HA ASN 77 HA ASN 77 1.288 14.364 -14.380 622 HB2 ASN 77 HB2 ASN 77 -0.688 13.158 -13.578 623 HB3 ASN 77 HB3 ASN 77 -0.147 13.323 -11.910 624 HD21 ASN 77 HD21 ASN 77 -1.903 14.461 -11.174 625 HD22 ASN 77 HD22 ASN 77 -2.321 16.050 -11.697 626 H GLU 78 H GLU 78 2.366 13.614 -11.073 627 HA GLU 78 HA GLU 78 3.449 16.318 -10.737 628 HB2 GLU 78 HB2 GLU 78 0.964 16.316 -10.134 629 HB3 GLU 78 HB3 GLU 78 1.351 15.213 -8.816 630 HG2 GLU 78 HG2 GLU 78 2.894 16.976 -7.906 631 HG3 GLU 78 HG3 GLU 78 2.308 18.061 -9.171 632 H ARG 79 H ARG 79 2.502 13.541 -8.707 633 HA ARG 79 HA ARG 79 5.305 13.042 -7.925 634 HB2 ARG 79 HB2 ARG 79 4.182 14.498 -6.158 635 HB3 ARG 79 HB3 ARG 79 3.025 13.200 -5.897 636 HG2 ARG 79 HG2 ARG 79 4.599 12.926 -4.162 637 HG3 ARG 79 HG3 ARG 79 5.061 11.706 -5.349 638 HD2 ARG 79 HD2 ARG 79 6.401 14.418 -4.956 639 HD3 ARG 79 HD3 ARG 79 7.039 12.865 -4.432 640 HE ARG 79 HE ARG 79 7.169 12.265 -6.845 641 HH11 ARG 79 HH11 ARG 79 7.272 15.621 -5.958 642 HH12 ARG 79 HH12 ARG 79 8.073 16.083 -7.415 643 HH21 ARG 79 HH21 ARG 79 8.196 12.898 -8.690 644 HH22 ARG 79 HH22 ARG 79 8.589 14.564 -8.933 645 H ASP 80 H ASP 80 2.008 11.926 -7.159 646 HA ASP 80 HA ASP 80 0.890 9.987 -7.419 647 HB2 ASP 80 HB2 ASP 80 2.275 10.239 -10.112 648 HB3 ASP 80 HB3 ASP 80 0.884 9.194 -9.809 649 H TYR 81 H TYR 81 2.174 8.851 -5.757 650 HA TYR 81 HA TYR 81 2.780 6.220 -6.764 651 HB2 TYR 81 HB2 TYR 81 4.982 5.916 -5.865 652 HB3 TYR 81 HB3 TYR 81 5.034 7.376 -6.822 653 HD1 TYR 81 HD1 TYR 81 5.168 6.021 -3.367 654 HD2 TYR 81 HD2 TYR 81 5.576 9.526 -5.788 655 HE1 TYR 81 HE1 TYR 81 6.242 7.180 -1.491 656 HE2 TYR 81 HE2 TYR 81 6.654 10.685 -3.904 657 HH TYR 81 HH TYR 81 7.706 9.045 -1.078 658 H PHE 82 H PHE 82 2.935 4.602 -5.031 659 HA PHE 82 HA PHE 82 1.613 5.436 -2.511 660 HB2 PHE 82 HB2 PHE 82 0.349 3.295 -2.518 661 HB3 PHE 82 HB3 PHE 82 -0.056 4.316 -3.885 662 HD1 PHE 82 HD2 PHE 82 0.939 3.719 -6.195 663 HD2 PHE 82 HD1 PHE 82 1.074 1.038 -2.867 664 HE1 PHE 82 HE2 PHE 82 1.304 1.826 -7.724 665 HE2 PHE 82 HE1 PHE 82 1.441 -0.846 -4.401 666 HZ PHE 82 HZ PHE 82 1.552 -0.456 -6.830 667 H GLU 83 H GLU 83 2.653 4.903 -0.723 668 HA GLU 83 HA GLU 83 4.723 2.800 -0.706 669 HB2 GLU 83 HB2 GLU 83 5.541 5.029 0.009 670 HB3 GLU 83 HB3 GLU 83 4.278 5.116 1.230 671 HG2 GLU 83 HG2 GLU 83 5.332 2.999 2.256 672 HG3 GLU 83 HG3 GLU 83 6.693 3.279 1.174 673 H ILE 84 H ILE 84 4.600 1.105 0.703 674 HA ILE 84 HA ILE 84 2.440 1.076 2.737 675 HB ILE 84 HB ILE 84 3.502 -1.353 1.211 676 HG12 ILE 84 HG12 ILE 84 0.959 -1.543 0.589 677 HG13 ILE 84 HG13 ILE 84 0.848 0.146 1.044 678 HG21 ILE 84 HG21 ILE 84 3.063 -1.895 3.563 679 HG22 ILE 84 HG22 ILE 84 1.865 -2.653 2.523 680 HG23 ILE 84 HG23 ILE 84 1.439 -1.212 3.444 681 HD11 ILE 84 HD11 ILE 84 1.043 -0.177 -1.350 682 HD12 ILE 84 HD12 ILE 84 2.587 -0.998 -1.133 683 HD13 ILE 84 HD13 ILE 84 2.428 0.708 -0.719 684 H LYS 85 H LYS 85 3.302 1.210 4.674 685 HA LYS 85 HA LYS 85 5.865 -0.100 5.377 686 HB2 LYS 85 HB2 LYS 85 5.908 2.291 5.733 687 HB3 LYS 85 HB3 LYS 85 4.331 2.278 6.512 688 HG2 LYS 85 HG2 LYS 85 5.279 1.146 8.472 689 HG3 LYS 85 HG3 LYS 85 6.860 1.062 7.682 690 HD2 LYS 85 HD2 LYS 85 7.003 3.524 7.663 691 HD3 LYS 85 HD3 LYS 85 5.391 3.643 8.378 692 HE2 LYS 85 HE2 LYS 85 7.809 2.372 9.710 693 HE3 LYS 85 HE3 LYS 85 7.191 3.991 10.043 694 HZ1 LYS 85 HZ1 LYS 85 6.397 2.463 11.687 695 HZ2 LYS 85 HZ2 LYS 85 5.774 1.427 10.520 696 HZ3 LYS 85 HZ3 LYS 85 5.090 2.965 10.744 697 H MET 86 H MET 86 5.868 -1.639 7.057 698 HA MET 86 HA MET 86 3.572 -1.740 8.897 699 HB2 MET 86 HB2 MET 86 3.789 -4.301 8.977 700 HB3 MET 86 HB3 MET 86 2.972 -3.627 7.584 701 HG2 MET 86 HG2 MET 86 5.882 -4.138 7.240 702 HG3 MET 86 HG3 MET 86 4.854 -5.558 7.408 703 HE1 MET 86 HE1 MET 86 2.193 -4.847 6.106 704 HE2 MET 86 HE2 MET 86 3.060 -6.314 5.643 705 HE3 MET 86 HE3 MET 86 2.431 -5.234 4.401 706 H SER 87 H SER 87 4.118 -2.036 10.961 707 HA SER 87 HA SER 87 6.990 -2.446 11.660 708 HB2 SER 87 HB2 SER 87 4.929 -0.702 13.087 709 HB3 SER 87 HB3 SER 87 6.561 -1.029 13.687 710 HG SER 87 HG SER 87 7.403 0.038 11.934 711 H TYR 88 H TYR 88 7.442 -4.090 13.046 712 HA TYR 88 HA TYR 88 5.156 -5.789 13.864 713 HB2 TYR 88 HB2 TYR 88 6.800 -6.755 12.240 714 HB3 TYR 88 HB3 TYR 88 8.074 -6.567 13.439 715 HD1 TYR 88 HD1 TYR 88 4.603 -7.745 14.185 716 HD2 TYR 88 HD2 TYR 88 8.680 -8.908 13.623 717 HE1 TYR 88 HE1 TYR 88 4.064 -10.006 14.948 718 HE2 TYR 88 HE2 TYR 88 8.132 -11.173 14.400 719 HH TYR 88 HH TYR 88 6.345 -12.243 15.855 720 H ASN 89 H ASN 89 4.644 -5.292 15.965 721 HA ASN 89 HA ASN 89 6.609 -5.051 18.073 722 HB2 ASN 89 HB2 ASN 89 3.643 -5.749 18.307 723 HB3 ASN 89 HB3 ASN 89 4.693 -5.200 19.611 724 HD21 ASN 89 HD21 ASN 89 2.795 -4.242 16.878 725 HD22 ASN 89 HD22 ASN 89 2.902 -2.549 17.156 726 H GLU 90 H GLU 90 7.973 -6.834 17.900 727 HA GLU 90 HA GLU 90 7.357 -9.413 17.088 728 HB2 GLU 90 HB2 GLU 90 9.633 -8.422 17.116 729 HB3 GLU 90 HB3 GLU 90 9.663 -8.526 18.873 730 HG2 GLU 90 HG2 GLU 90 9.531 -11.008 18.700 731 HG3 GLU 90 HG3 GLU 90 9.561 -10.870 16.942 732 H LEU 91 H LEU 91 7.033 -8.095 20.321 733 HA LEU 91 HA LEU 91 7.085 -10.662 21.686 734 HB2 LEU 91 HB2 LEU 91 6.690 -7.817 22.661 735 HB3 LEU 91 HB3 LEU 91 6.708 -9.214 23.727 736 HG LEU 91 HG LEU 91 9.048 -8.327 21.981 737 HD11 LEU 91 HD11 LEU 91 8.674 -6.724 23.783 738 HD12 LEU 91 HD12 LEU 91 10.143 -7.650 24.078 739 HD13 LEU 91 HD13 LEU 91 8.669 -8.023 24.979 740 HD21 LEU 91 HD21 LEU 91 9.027 -10.757 22.329 741 HD22 LEU 91 HD22 LEU 91 8.901 -10.526 24.075 742 HD23 LEU 91 HD23 LEU 91 10.354 -10.009 23.218 743 H THR 92 H THR 92 4.646 -8.912 20.091 744 HA THR 92 HA THR 92 2.532 -10.361 21.575 745 HB THR 92 HB THR 92 2.500 -8.085 22.477 746 HG1 THR 92 HG1 THR 92 0.260 -8.333 20.733 747 HG21 THR 92 HG21 THR 92 1.994 -7.139 19.625 748 HG22 THR 92 HG22 THR 92 3.462 -6.850 20.563 749 HG23 THR 92 HG23 THR 92 1.935 -6.127 21.070 750 H GLY 93 H GLY 93 3.740 -9.384 18.507 751 HA2 GLY 93 HA2 GLY 93 3.203 -10.400 16.476 752 HA3 GLY 93 HA3 GLY 93 1.703 -10.988 17.156 753 H ASP 94 H ASP 94 1.600 -7.813 17.909 754 HA ASP 94 HA ASP 94 -0.297 -7.142 15.886 755 HB2 ASP 94 HB2 ASP 94 1.014 -5.495 18.084 756 HB3 ASP 94 HB3 ASP 94 -0.218 -4.836 17.003 757 H TYR 95 H TYR 95 -0.155 -5.874 14.103 758 HA TYR 95 HA TYR 95 2.464 -4.710 13.309 759 HB2 TYR 95 HB2 TYR 95 0.185 -5.903 11.687 760 HB3 TYR 95 HB3 TYR 95 1.306 -4.777 10.928 761 HD1 TYR 95 HD1 TYR 95 1.043 -8.110 12.563 762 HD2 TYR 95 HD2 TYR 95 3.544 -5.444 10.347 763 HE1 TYR 95 HE1 TYR 95 2.655 -9.921 12.200 764 HE2 TYR 95 HE2 TYR 95 5.154 -7.255 9.972 765 HH TYR 95 HH TYR 95 5.784 -9.438 11.103 766 H VAL 96 H VAL 96 2.585 -2.530 13.284 767 HA VAL 96 HA VAL 96 0.205 -0.839 13.019 768 HB VAL 96 HB VAL 96 3.158 -0.058 13.259 769 HG11 VAL 96 HG11 VAL 96 2.316 2.206 13.832 770 HG12 VAL 96 HG12 VAL 96 0.663 1.675 13.522 771 HG13 VAL 96 HG13 VAL 96 1.833 1.734 12.200 772 HG21 VAL 96 HG21 VAL 96 2.637 0.476 15.631 773 HG22 VAL 96 HG22 VAL 96 2.410 -1.239 15.282 774 HG23 VAL 96 HG23 VAL 96 1.008 -0.171 15.418 775 H LEU 97 H LEU 97 -0.544 -0.999 10.981 776 HA LEU 97 HA LEU 97 1.271 -1.198 8.668 777 HB2 LEU 97 HB2 LEU 97 -0.445 -2.965 9.023 778 HB3 LEU 97 HB3 LEU 97 -1.715 -1.759 8.936 779 HG LEU 97 HG LEU 97 -1.114 -1.316 6.557 780 HD11 LEU 97 HD11 LEU 97 1.259 -1.939 6.632 781 HD12 LEU 97 HD12 LEU 97 0.410 -2.802 5.353 782 HD13 LEU 97 HD13 LEU 97 0.817 -3.635 6.856 783 HD21 LEU 97 HD21 LEU 97 -2.913 -2.905 7.077 784 HD22 LEU 97 HD22 LEU 97 -1.745 -4.230 7.151 785 HD23 LEU 97 HD23 LEU 97 -2.042 -3.395 5.623 786 H GLU 98 H GLU 98 1.685 0.694 7.672 787 HA GLU 98 HA GLU 98 -0.288 2.912 7.741 788 HB2 GLU 98 HB2 GLU 98 2.741 3.095 8.044 789 HB3 GLU 98 HB3 GLU 98 1.664 4.481 7.870 790 HG2 GLU 98 HG2 GLU 98 0.552 3.899 9.991 791 HG3 GLU 98 HG3 GLU 98 1.607 2.494 10.167 792 H ILE 99 H ILE 99 -1.038 3.089 5.716 793 HA ILE 99 HA ILE 99 0.690 2.654 3.369 794 HB ILE 99 HB ILE 99 -2.333 2.966 3.720 795 HG12 ILE 99 HG12 ILE 99 -2.395 0.686 2.590 796 HG13 ILE 99 HG13 ILE 99 -0.643 0.658 2.632 797 HG21 ILE 99 HG21 ILE 99 -2.602 2.706 1.249 798 HG22 ILE 99 HG22 ILE 99 -0.854 2.846 1.057 799 HG23 ILE 99 HG23 ILE 99 -1.783 4.212 1.677 800 HD11 ILE 99 HD11 ILE 99 -0.694 0.608 5.056 801 HD12 ILE 99 HD12 ILE 99 -1.642 -0.709 4.367 802 HD13 ILE 99 HD13 ILE 99 -2.456 0.708 5.036 803 H THR 100 H THR 100 1.821 4.429 2.691 804 HA THR 100 HA THR 100 0.817 7.151 3.139 805 HB THR 100 HB THR 100 3.509 6.163 2.122 806 HG1 THR 100 HG1 THR 100 4.151 6.387 4.149 807 HG21 THR 100 HG21 THR 100 4.313 8.485 2.402 808 HG22 THR 100 HG22 THR 100 2.665 9.013 2.745 809 HG23 THR 100 HG23 THR 100 3.075 8.382 1.147 810 H ASP 101 H ASP 101 -0.716 7.590 1.677 811 HA ASP 101 HA ASP 101 -0.184 7.340 -1.226 812 HB2 ASP 101 HB2 ASP 101 -2.121 6.047 -0.578 813 HB3 ASP 101 HB3 ASP 101 -2.757 7.359 0.412 814 H PHE 102 H PHE 102 -0.842 9.169 -2.562 815 HA PHE 102 HA PHE 102 -0.925 11.797 -1.164 816 HB2 PHE 102 HB2 PHE 102 0.346 11.061 -3.842 817 HB3 PHE 102 HB3 PHE 102 0.107 12.722 -3.312 818 HD1 PHE 102 HD2 PHE 102 1.911 9.553 -2.520 819 HD2 PHE 102 HD1 PHE 102 1.649 13.763 -1.773 820 HE1 PHE 102 HE2 PHE 102 4.040 9.475 -1.294 821 HE2 PHE 102 HE1 PHE 102 3.786 13.668 -0.552 822 HZ PHE 102 HZ PHE 102 4.980 11.527 -0.309 823 H SER 103 H SER 103 -2.813 12.791 -1.360 824 HA SER 103 HA SER 103 -4.462 12.518 -3.808 825 HB2 SER 103 HB2 SER 103 -5.442 12.276 -0.926 826 HB3 SER 103 HB3 SER 103 -6.513 12.491 -2.316 827 HG SER 103 HG SER 103 -4.926 10.277 -1.607 828 H GLU 104 H GLU 104 -5.080 14.432 -4.584 829 HA GLU 104 HA GLU 104 -4.425 16.967 -3.853 830 HB2 GLU 104 HB2 GLU 104 -6.697 15.777 -5.413 831 HB3 GLU 104 HB3 GLU 104 -6.786 17.502 -5.081 832 HG2 GLU 104 HG2 GLU 104 -4.418 16.180 -6.441 833 HG3 GLU 104 HG3 GLU 104 -5.813 16.811 -7.318 834 H ALA 105 H ALA 105 -5.232 18.652 -2.588 835 HA ALA 105 HA ALA 105 -6.208 18.182 -0.087 836 HB1 ALA 105 HB1 ALA 105 -6.598 20.590 0.118 837 HB2 ALA 105 HB2 ALA 105 -6.578 20.760 -1.640 838 HB3 ALA 105 HB3 ALA 105 -5.111 20.274 -0.785 839 H ASP 106 H ASP 106 -8.247 19.208 -2.841 840 HA ASP 106 HA ASP 106 -10.735 19.286 -1.467 841 HB2 ASP 106 HB2 ASP 106 -10.192 20.354 -3.712 842 HB3 ASP 106 HB3 ASP 106 -10.363 18.759 -4.439 843 H GLU 107 H GLU 107 -8.930 16.616 -2.654 844 HA GLU 107 HA GLU 107 -11.218 14.736 -2.713 845 HB2 GLU 107 HB2 GLU 107 -8.311 14.235 -3.532 846 HB3 GLU 107 HB3 GLU 107 -9.689 13.172 -3.828 847 HG2 GLU 107 HG2 GLU 107 -9.227 15.915 -5.051 848 HG3 GLU 107 HG3 GLU 107 -9.034 14.365 -5.862 849 H ALA 108 H ALA 108 -8.803 15.825 -0.617 850 HA ALA 108 HA ALA 108 -7.825 13.423 0.565 851 HB1 ALA 108 HB1 ALA 108 -6.869 14.881 2.289 852 HB2 ALA 108 HB2 ALA 108 -7.863 16.229 1.725 853 HB3 ALA 108 HB3 ALA 108 -6.609 15.558 0.680 854 H ASP 109 H ASP 109 -10.541 15.573 1.429 855 HA ASP 109 HA ASP 109 -11.295 14.384 3.880 856 HB2 ASP 109 HB2 ASP 109 -12.181 16.553 3.235 857 HB3 ASP 109 HB3 ASP 109 -12.950 15.875 1.808 858 H ASP 110 H ASP 110 -12.175 13.534 0.531 859 HA ASP 110 HA ASP 110 -14.101 11.527 1.125 860 HB2 ASP 110 HB2 ASP 110 -13.779 12.638 -1.125 861 HB3 ASP 110 HB3 ASP 110 -12.308 11.695 -1.343 862 H LEU 111 H LEU 111 -10.583 11.405 0.650 863 HA LEU 111 HA LEU 111 -10.241 8.602 1.000 864 HB2 LEU 111 HB2 LEU 111 -8.442 11.008 1.071 865 HB3 LEU 111 HB3 LEU 111 -7.822 9.519 1.744 866 HG LEU 111 HG LEU 111 -7.083 9.820 -0.582 867 HD11 LEU 111 HD11 LEU 111 -7.677 7.629 -1.475 868 HD12 LEU 111 HD12 LEU 111 -9.011 7.496 -0.325 869 HD13 LEU 111 HD13 LEU 111 -7.342 7.539 0.254 870 HD21 LEU 111 HD21 LEU 111 -10.018 9.720 -1.366 871 HD22 LEU 111 HD22 LEU 111 -8.643 9.731 -2.476 872 HD23 LEU 111 HD23 LEU 111 -8.959 11.131 -1.456 873 H LYS 112 H LYS 112 -10.343 11.282 3.300 874 HA LYS 112 HA LYS 112 -9.735 9.721 5.640 875 HB2 LYS 112 HB2 LYS 112 -11.024 12.470 5.388 876 HB3 LYS 112 HB3 LYS 112 -10.571 11.724 6.921 877 HG2 LYS 112 HG2 LYS 112 -8.671 12.479 4.672 878 HG3 LYS 112 HG3 LYS 112 -8.884 13.349 6.195 879 HD2 LYS 112 HD2 LYS 112 -8.021 11.380 7.437 880 HD3 LYS 112 HD3 LYS 112 -7.840 10.494 5.918 881 HE2 LYS 112 HE2 LYS 112 -5.676 11.367 6.625 882 HE3 LYS 112 HE3 LYS 112 -6.184 12.194 5.154 883 HZ1 LYS 112 HZ1 LYS 112 -6.942 14.048 6.554 884 HZ2 LYS 112 HZ2 LYS 112 -5.285 13.761 6.707 885 HZ3 LYS 112 HZ3 LYS 112 -6.344 13.255 7.924 886 H GLU 113 H GLU 113 -12.690 10.501 3.916 887 HA GLU 113 HA GLU 113 -14.624 9.496 5.739 888 HB2 GLU 113 HB2 GLU 113 -15.283 10.842 3.815 889 HB3 GLU 113 HB3 GLU 113 -14.595 9.680 2.696 890 HG2 GLU 113 HG2 GLU 113 -16.998 9.510 2.640 891 HG3 GLU 113 HG3 GLU 113 -16.333 8.037 3.340 892 H LEU 114 H LEU 114 -12.853 7.949 3.046 893 HA LEU 114 HA LEU 114 -13.703 5.279 3.374 894 HB2 LEU 114 HB2 LEU 114 -12.469 6.046 1.390 895 HB3 LEU 114 HB3 LEU 114 -11.054 6.397 2.370 896 HG LEU 114 HG LEU 114 -10.812 3.940 2.853 897 HD11 LEU 114 HD11 LEU 114 -12.042 2.298 1.485 898 HD12 LEU 114 HD12 LEU 114 -13.065 3.591 0.855 899 HD13 LEU 114 HD13 LEU 114 -13.102 3.191 2.575 900 HD21 LEU 114 HD21 LEU 114 -9.484 4.958 1.070 901 HD22 LEU 114 HD22 LEU 114 -10.778 4.663 -0.095 902 HD23 LEU 114 HD23 LEU 114 -9.929 3.304 0.646 903 H TRP 115 H TRP 115 -10.903 6.990 4.723 904 HA TRP 115 HA TRP 115 -9.696 5.002 6.258 905 HB2 TRP 115 HB2 TRP 115 -8.426 6.968 5.998 906 HB3 TRP 115 HB3 TRP 115 -9.769 8.018 6.411 907 HD1 TRP 115 HD1 TRP 115 -9.347 9.243 8.626 908 HE1 TRP 115 HE1 TRP 115 -8.158 8.729 10.841 909 HE3 TRP 115 HE3 TRP 115 -7.689 4.496 7.601 910 HZ2 TRP 115 HZ2 TRP 115 -6.722 6.621 12.011 911 HZ3 TRP 115 HZ3 TRP 115 -6.418 3.301 9.336 912 HH2 TRP 115 HH2 TRP 115 -5.947 4.348 11.496 913 H ASP 116 H ASP 116 -12.224 7.312 7.268 914 HA ASP 116 HA ASP 116 -12.474 6.521 9.968 915 HB2 ASP 116 HB2 ASP 116 -13.281 8.685 9.119 916 HB3 ASP 116 HB3 ASP 116 -14.463 7.878 8.092 917 H SER 117 H SER 117 -14.176 5.501 7.035 918 HA SER 117 HA SER 117 -16.037 3.687 8.132 919 HB2 SER 117 HB2 SER 117 -16.234 4.443 5.815 920 HB3 SER 117 HB3 SER 117 -14.692 3.701 5.393 921 HG SER 117 HG SER 117 -16.787 2.549 4.912 922 H GLN 118 H GLN 118 -12.653 3.194 7.082 923 HA GLN 118 HA GLN 118 -12.749 0.318 7.370 924 HB2 GLN 118 HB2 GLN 118 -10.371 2.154 6.880 925 HB3 GLN 118 HB3 GLN 118 -10.325 0.394 6.793 926 HG2 GLN 118 HG2 GLN 118 -11.815 2.292 4.956 927 HG3 GLN 118 HG3 GLN 118 -10.436 1.273 4.555 928 HE21 GLN 118 HE21 GLN 118 -13.871 1.374 5.081 929 HE22 GLN 118 HE22 GLN 118 -14.219 -0.208 4.492 930 H VAL 119 H VAL 119 -11.467 2.985 9.363 931 HA VAL 119 HA VAL 119 -10.132 1.238 11.231 932 HB VAL 119 HB VAL 119 -9.365 3.584 10.817 933 HG11 VAL 119 HG11 VAL 119 -11.525 4.748 10.710 934 HG12 VAL 119 HG12 VAL 119 -10.473 5.494 11.915 935 HG13 VAL 119 HG13 VAL 119 -11.793 4.439 12.427 936 HG21 VAL 119 HG21 VAL 119 -9.996 2.982 13.733 937 HG22 VAL 119 HG22 VAL 119 -8.761 4.104 13.156 938 HG23 VAL 119 HG23 VAL 119 -8.603 2.377 12.830 939 H SER 120 H SER 120 -13.316 2.850 11.136 940 HA SER 120 HA SER 120 -14.238 1.980 13.702 941 HB2 SER 120 HB2 SER 120 -15.414 3.759 12.436 942 HB3 SER 120 HB3 SER 120 -15.873 2.591 11.198 943 HG SER 120 HG SER 120 -16.831 2.906 13.818 944 H LYS 121 H LYS 121 -14.449 0.587 10.441 945 HA LYS 121 HA LYS 121 -15.830 -1.810 11.056 946 HB2 LYS 121 HB2 LYS 121 -15.636 -0.968 8.766 947 HB3 LYS 121 HB3 LYS 121 -13.888 -1.157 8.805 948 HG2 LYS 121 HG2 LYS 121 -14.133 -3.599 8.905 949 HG3 LYS 121 HG3 LYS 121 -15.893 -3.436 8.948 950 HD2 LYS 121 HD2 LYS 121 -15.834 -2.397 6.685 951 HD3 LYS 121 HD3 LYS 121 -14.077 -2.590 6.646 952 HE2 LYS 121 HE2 LYS 121 -14.332 -5.039 6.732 953 HE3 LYS 121 HE3 LYS 121 -16.085 -4.870 6.847 954 HZ1 LYS 121 HZ1 LYS 121 -15.408 -5.390 4.607 955 HZ2 LYS 121 HZ2 LYS 121 -14.406 -4.033 4.549 956 HZ3 LYS 121 HZ3 LYS 121 -16.078 -3.839 4.655 957 H LEU 122 H LEU 122 -12.418 -0.933 11.240 958 HA LEU 122 HA LEU 122 -11.251 -3.489 11.470 959 HB2 LEU 122 HB2 LEU 122 -10.025 -1.385 10.975 960 HB3 LEU 122 HB3 LEU 122 -10.284 -0.856 12.625 961 HG LEU 122 HG LEU 122 -8.845 -2.685 13.466 962 HD11 LEU 122 HD11 LEU 122 -8.413 -3.439 10.554 963 HD12 LEU 122 HD12 LEU 122 -9.282 -4.395 11.759 964 HD13 LEU 122 HD13 LEU 122 -7.551 -4.115 11.942 965 HD21 LEU 122 HD21 LEU 122 -7.513 -1.054 11.277 966 HD22 LEU 122 HD22 LEU 122 -6.695 -1.839 12.632 967 HD23 LEU 122 HD23 LEU 122 -7.823 -0.519 12.931 968 H ARG 123 H ARG 123 -12.677 -1.355 13.935 969 HA ARG 123 HA ARG 123 -12.125 -2.891 16.259 970 HB2 ARG 123 HB2 ARG 123 -14.566 -1.172 15.646 971 HB3 ARG 123 HB3 ARG 123 -14.123 -1.770 17.246 972 HG2 ARG 123 HG2 ARG 123 -12.049 -0.414 17.165 973 HG3 ARG 123 HG3 ARG 123 -12.517 0.197 15.573 974 HD2 ARG 123 HD2 ARG 123 -14.533 1.218 16.540 975 HD3 ARG 123 HD3 ARG 123 -14.125 0.569 18.132 976 HE ARG 123 HE ARG 123 -11.995 2.167 17.182 977 HH11 ARG 123 HH11 ARG 123 -15.226 2.539 18.394 978 HH12 ARG 123 HH12 ARG 123 -14.925 4.133 18.993 979 HH21 ARG 123 HH21 ARG 123 -11.644 4.198 17.943 980 HH22 ARG 123 HH22 ARG 123 -12.919 5.064 18.730 981 H ARG 124 H ARG 124 -14.690 -3.094 13.839 982 HA ARG 124 HA ARG 124 -16.385 -4.927 15.283 983 HB2 ARG 124 HB2 ARG 124 -16.550 -4.294 12.300 984 HB3 ARG 124 HB3 ARG 124 -17.852 -4.828 13.366 985 HG2 ARG 124 HG2 ARG 124 -17.768 -2.655 14.554 986 HG3 ARG 124 HG3 ARG 124 -16.449 -2.137 13.499 987 HD2 ARG 124 HD2 ARG 124 -18.081 -2.508 11.540 988 HD3 ARG 124 HD3 ARG 124 -19.353 -2.621 12.768 989 HE ARG 124 HE ARG 124 -17.695 -0.246 12.942 990 HH11 ARG 124 HH11 ARG 124 -20.626 -1.546 11.613 991 HH12 ARG 124 HH12 ARG 124 -21.276 0.021 11.278 992 HH21 ARG 124 HH21 ARG 124 -18.549 1.732 12.458 993 HH22 ARG 124 HH22 ARG 124 -20.116 1.843 11.741 994 H THR 125 H THR 125 -14.015 -5.238 12.647 995 HA THR 125 HA THR 125 -14.589 -8.068 12.199 996 HB THR 125 HB THR 125 -14.148 -6.599 10.232 997 HG1 THR 125 HG1 THR 125 -12.378 -8.787 10.728 998 HG21 THR 125 HG21 THR 125 -11.274 -6.483 11.234 999 HG22 THR 125 HG22 THR 125 -12.397 -5.124 11.181 1000 HG23 THR 125 HG23 THR 125 -11.864 -5.878 9.680 1001 H CYS 126 H CYS 126 -12.262 -6.117 13.881 1002 HA CYS 126 HA CYS 126 -10.416 -6.426 15.096 1003 HB2 CYS 126 HB2 CYS 126 -10.331 -8.330 16.617 1004 HB3 CYS 126 HB3 CYS 126 -11.985 -7.756 16.467 1005 HG CYS 126 HG CYS 126 -11.279 -10.250 14.358 1006 H GLY 127 H GLY 127 -8.544 -8.296 15.640 1007 HA2 GLY 127 HA2 GLY 127 -6.899 -8.359 13.329 1008 HA3 GLY 127 HA3 GLY 127 -6.567 -9.153 14.858 1009 H PHE 128 H PHE 128 -8.393 -11.108 15.117 1010 HA PHE 128 HA PHE 128 -7.849 -12.979 12.944 1011 HB2 PHE 128 HB2 PHE 128 -7.717 -13.645 15.378 1012 HB3 PHE 128 HB3 PHE 128 -9.464 -13.450 15.488 1013 HD1 PHE 128 HD2 PHE 128 -6.904 -15.264 13.393 1014 HD2 PHE 128 HD1 PHE 128 -10.784 -15.395 15.196 1015 HE1 PHE 128 HE2 PHE 128 -7.189 -17.580 12.624 1016 HE2 PHE 128 HE1 PHE 128 -11.058 -17.712 14.419 1017 HZ PHE 128 HZ PHE 128 -9.264 -18.808 13.134 1018 H LEU 129 H LEU 129 -9.204 -13.324 11.275 1019 HA LEU 129 HA LEU 129 -12.071 -12.850 11.452 1020 HB2 LEU 129 HB2 LEU 129 -11.966 -11.254 9.456 1021 HB3 LEU 129 HB3 LEU 129 -11.454 -10.628 11.012 1022 HG LEU 129 HG LEU 129 -9.022 -11.141 10.224 1023 HD11 LEU 129 HD11 LEU 129 -9.555 -12.541 8.301 1024 HD12 LEU 129 HD12 LEU 129 -8.599 -11.139 7.828 1025 HD13 LEU 129 HD13 LEU 129 -10.335 -11.176 7.498 1026 HD21 LEU 129 HD21 LEU 129 -10.558 -8.902 8.868 1027 HD22 LEU 129 HD22 LEU 129 -8.807 -8.973 9.094 1028 HD23 LEU 129 HD23 LEU 129 -9.871 -8.865 10.493 1029 H GLU 130 H GLU 130 -13.162 -13.253 9.224 1030 HA GLU 130 HA GLU 130 -11.682 -15.178 7.535 1031 HB2 GLU 130 HB2 GLU 130 -13.061 -16.488 9.160 1032 HB3 GLU 130 HB3 GLU 130 -14.509 -15.658 8.596 1033 HG2 GLU 130 HG2 GLU 130 -14.027 -16.620 6.288 1034 HG3 GLU 130 HG3 GLU 130 -12.757 -17.589 7.035 1035 H HIS 131 H HIS 131 -11.507 -13.459 6.029 1036 HA HIS 131 HA HIS 131 -13.451 -13.438 3.987 1037 HB2 HIS 131 HB2 HIS 131 -14.135 -11.037 3.976 1038 HB3 HIS 131 HB3 HIS 131 -14.726 -11.870 5.406 1039 HD1 HIS 131 HD1 HIS 131 -12.454 -9.125 4.318 1040 HD2 HIS 131 HD2 HIS 131 -13.570 -10.995 7.858 1041 HE1 HIS 131 HE1 HIS 131 -11.598 -7.647 6.154 1042 HE2 HIS 131 HE2 HIS 131 -12.320 -8.767 8.277 1043 H HIS 132 H HIS 132 -12.536 -12.769 2.057 1044 HA HIS 132 HA HIS 132 -9.925 -11.371 2.097 1045 HB2 HIS 132 HB2 HIS 132 -9.637 -13.903 1.967 1046 HB3 HIS 132 HB3 HIS 132 -10.487 -13.866 0.428 1047 HD1 HIS 132 HD1 HIS 132 -7.190 -13.326 1.985 1048 HD2 HIS 132 HD2 HIS 132 -8.965 -12.603 -1.707 1049 HE1 HIS 132 HE1 HIS 132 -5.298 -12.856 0.411 1050 HE2 HIS 132 HE2 HIS 132 -6.398 -12.212 -1.742 1051 H HIS 133 H HIS 133 -9.785 -9.798 0.561 1052 HA HIS 133 HA HIS 133 -12.108 -9.108 -1.001 1053 HB2 HIS 133 HB2 HIS 133 -9.354 -7.791 -0.897 1054 HB3 HIS 133 HB3 HIS 133 -10.781 -7.099 -1.667 1055 HD1 HIS 133 HD1 HIS 133 -9.000 -7.152 1.487 1056 HD2 HIS 133 HD2 HIS 133 -12.940 -6.572 0.293 1057 HE1 HIS 133 HE1 HIS 133 -10.134 -6.047 3.434 1058 HE2 HIS 133 HE2 HIS 133 -12.486 -5.601 2.645 1059 H HIS 134 H HIS 134 -12.531 -9.518 -3.084 1060 HA HIS 134 HA HIS 134 -10.363 -10.247 -4.976 1061 HB2 HIS 134 HB2 HIS 134 -13.153 -11.485 -4.823 1062 HB3 HIS 134 HB3 HIS 134 -12.002 -11.777 -6.125 1063 HD1 HIS 134 HD1 HIS 134 -9.830 -13.130 -5.497 1064 HD2 HIS 134 HD2 HIS 134 -12.733 -13.002 -2.527 1065 HE1 HIS 134 HE1 HIS 134 -9.204 -14.935 -3.871 1066 HE2 HIS 134 HE2 HIS 134 -11.122 -15.002 -2.247 1067 H HIS 135 H HIS 135 -10.236 -8.137 -5.815 1068 HA HIS 135 HA HIS 135 -12.594 -7.067 -7.237 1069 HB2 HIS 135 HB2 HIS 135 -11.122 -5.545 -5.816 1070 HB3 HIS 135 HB3 HIS 135 -9.825 -5.802 -6.976 1071 HD1 HIS 135 HD1 HIS 135 -9.902 -4.425 -9.106 1072 HD2 HIS 135 HD2 HIS 135 -13.340 -4.023 -6.826 1073 HE1 HIS 135 HE1 HIS 135 -11.187 -2.568 -10.171 1074 HE2 HIS 135 HE2 HIS 135 -13.116 -2.176 -8.617 1075 H HIS 136 H HIS 136 -12.293 -9.229 -8.415 1076 HA HIS 136 HA HIS 136 -11.816 -10.497 -10.213 1077 HB2 HIS 136 HB2 HIS 136 -12.676 -8.498 -11.437 1078 HB3 HIS 136 HB3 HIS 136 -11.040 -7.859 -11.537 1079 HD1 HIS 136 HD1 HIS 136 -9.515 -8.808 -13.364 1080 HD2 HIS 136 HD2 HIS 136 -13.181 -10.755 -13.119 1081 HE1 HIS 136 HE1 HIS 136 -9.624 -10.290 -15.383 1082 HE2 HIS 136 HE2 HIS 136 -11.924 -11.300 -15.312 Start of MODEL 15 1 H1 MET 1 H1 MET 1 0.644 23.597 -8.187 2 H2 MET 1 H2 MET 1 -0.177 23.911 -6.741 3 H3 MET 1 H3 MET 1 -0.856 24.373 -8.218 4 HA MET 1 HA MET 1 -1.924 22.408 -7.323 5 HB2 MET 1 HB2 MET 1 -0.273 21.869 -9.832 6 HB3 MET 1 HB3 MET 1 -1.706 20.968 -9.355 7 HG2 MET 1 HG2 MET 1 -3.074 22.990 -9.621 8 HG3 MET 1 HG3 MET 1 -1.641 23.907 -10.081 9 HE1 MET 1 HE1 MET 1 -2.617 20.193 -11.112 10 HE2 MET 1 HE2 MET 1 -3.444 20.489 -12.640 11 HE3 MET 1 HE3 MET 1 -4.164 21.048 -11.131 12 H LYS 2 H LYS 2 -1.193 21.426 -5.436 13 HA LYS 2 HA LYS 2 0.444 19.036 -5.836 14 HB2 LYS 2 HB2 LYS 2 1.969 19.400 -4.010 15 HB3 LYS 2 HB3 LYS 2 2.060 20.815 -5.050 16 HG2 LYS 2 HG2 LYS 2 0.628 22.066 -3.450 17 HG3 LYS 2 HG3 LYS 2 0.571 20.637 -2.410 18 HD2 LYS 2 HD2 LYS 2 3.086 20.754 -2.221 19 HD3 LYS 2 HD3 LYS 2 3.042 22.269 -3.127 20 HE2 LYS 2 HE2 LYS 2 3.211 22.768 -0.764 21 HE3 LYS 2 HE3 LYS 2 1.608 23.248 -1.316 22 HZ1 LYS 2 HZ1 LYS 2 2.249 20.726 0.125 23 HZ2 LYS 2 HZ2 LYS 2 0.710 21.230 -0.359 24 HZ3 LYS 2 HZ3 LYS 2 1.547 22.104 0.818 25 H LYS 3 H LYS 3 0.172 17.472 -4.184 26 HA LYS 3 HA LYS 3 -2.524 17.369 -3.083 27 HB2 LYS 3 HB2 LYS 3 -0.300 15.278 -2.958 28 HB3 LYS 3 HB3 LYS 3 -2.021 14.997 -2.709 29 HG2 LYS 3 HG2 LYS 3 -0.929 16.004 -5.337 30 HG3 LYS 3 HG3 LYS 3 -0.979 14.287 -4.958 31 HD2 LYS 3 HD2 LYS 3 -3.411 14.359 -4.771 32 HD3 LYS 3 HD3 LYS 3 -3.404 16.106 -4.990 33 HE2 LYS 3 HE2 LYS 3 -2.465 15.773 -7.291 34 HE3 LYS 3 HE3 LYS 3 -2.618 14.028 -7.059 35 HZ1 LYS 3 HZ1 LYS 3 -4.483 14.983 -8.280 36 HZ2 LYS 3 HZ2 LYS 3 -4.868 15.967 -6.958 37 HZ3 LYS 3 HZ3 LYS 3 -4.985 14.284 -6.828 38 H GLU 4 H GLU 4 -2.558 16.103 -0.801 39 HA GLU 4 HA GLU 4 -0.491 17.182 1.027 40 HB2 GLU 4 HB2 GLU 4 -2.625 18.293 1.500 41 HB3 GLU 4 HB3 GLU 4 -3.459 16.746 1.612 42 HG2 GLU 4 HG2 GLU 4 -2.280 16.173 3.642 43 HG3 GLU 4 HG3 GLU 4 -1.202 17.555 3.470 44 H LYS 5 H LYS 5 0.662 15.696 2.041 45 HA LYS 5 HA LYS 5 0.296 12.892 1.716 46 HB2 LYS 5 HB2 LYS 5 2.519 13.876 1.984 47 HB3 LYS 5 HB3 LYS 5 2.097 14.484 3.581 48 HG2 LYS 5 HG2 LYS 5 1.885 12.136 4.389 49 HG3 LYS 5 HG3 LYS 5 2.356 11.567 2.786 50 HD2 LYS 5 HD2 LYS 5 4.267 11.508 4.324 51 HD3 LYS 5 HD3 LYS 5 4.547 12.661 3.017 52 HE2 LYS 5 HE2 LYS 5 3.908 14.517 4.557 53 HE3 LYS 5 HE3 LYS 5 3.700 13.343 5.859 54 HZ1 LYS 5 HZ1 LYS 5 6.221 13.924 4.410 55 HZ2 LYS 5 HZ2 LYS 5 6.043 12.773 5.635 56 HZ3 LYS 5 HZ3 LYS 5 5.836 14.414 5.981 57 H ILE 6 H ILE 6 -0.647 11.423 3.031 58 HA ILE 6 HA ILE 6 -1.549 12.025 5.748 59 HB ILE 6 HB ILE 6 -3.850 11.151 5.355 60 HG12 ILE 6 HG12 ILE 6 -3.041 11.088 2.410 61 HG13 ILE 6 HG13 ILE 6 -3.526 9.717 3.418 62 HG21 ILE 6 HG21 ILE 6 -3.234 13.550 3.591 63 HG22 ILE 6 HG22 ILE 6 -3.516 13.587 5.331 64 HG23 ILE 6 HG23 ILE 6 -4.824 13.128 4.241 65 HD11 ILE 6 HD11 ILE 6 -5.808 10.615 3.507 66 HD12 ILE 6 HD12 ILE 6 -5.269 10.327 1.852 67 HD13 ILE 6 HD13 ILE 6 -5.314 11.969 2.487 68 H HIS 7 H HIS 7 -0.804 10.354 6.967 69 HA HIS 7 HA HIS 7 -0.299 7.744 5.694 70 HB2 HIS 7 HB2 HIS 7 1.098 7.227 7.656 71 HB3 HIS 7 HB3 HIS 7 1.599 8.723 6.881 72 HD1 HIS 7 HD1 HIS 7 0.087 7.382 10.025 73 HD2 HIS 7 HD2 HIS 7 1.415 11.010 8.489 74 HE1 HIS 7 HE1 HIS 7 0.128 8.964 11.975 75 HE2 HIS 7 HE2 HIS 7 0.798 11.181 11.000 76 H LEU 8 H LEU 8 -1.820 6.248 5.831 77 HA LEU 8 HA LEU 8 -3.850 6.303 7.942 78 HB2 LEU 8 HB2 LEU 8 -3.774 5.099 5.172 79 HB3 LEU 8 HB3 LEU 8 -4.909 4.476 6.355 80 HG LEU 8 HG LEU 8 -5.923 6.742 6.577 81 HD11 LEU 8 HD11 LEU 8 -5.422 8.515 4.969 82 HD12 LEU 8 HD12 LEU 8 -4.088 7.562 4.315 83 HD13 LEU 8 HD13 LEU 8 -4.028 8.142 5.982 84 HD21 LEU 8 HD21 LEU 8 -5.898 5.698 3.728 85 HD22 LEU 8 HD22 LEU 8 -7.121 6.754 4.440 86 HD23 LEU 8 HD23 LEU 8 -6.920 5.111 5.044 87 H GLU 9 H GLU 9 -3.632 4.945 9.599 88 HA GLU 9 HA GLU 9 -1.677 2.715 9.490 89 HB2 GLU 9 HB2 GLU 9 -1.176 4.615 11.025 90 HB3 GLU 9 HB3 GLU 9 -2.680 4.313 11.893 91 HG2 GLU 9 HG2 GLU 9 -1.826 2.071 12.531 92 HG3 GLU 9 HG3 GLU 9 -0.318 2.419 11.683 93 H TYR 10 H TYR 10 -2.407 0.682 9.696 94 HA TYR 10 HA TYR 10 -5.176 0.145 10.639 95 HB2 TYR 10 HB2 TYR 10 -3.642 -1.479 8.556 96 HB3 TYR 10 HB3 TYR 10 -5.348 -1.611 8.969 97 HD1 TYR 10 HD1 TYR 10 -6.885 0.419 8.396 98 HD2 TYR 10 HD2 TYR 10 -2.953 -0.040 6.773 99 HE1 TYR 10 HE1 TYR 10 -7.447 1.975 6.581 100 HE2 TYR 10 HE2 TYR 10 -3.525 1.515 4.957 101 HH TYR 10 HH TYR 10 -5.545 2.337 3.805 102 H LEU 11 H LEU 11 -5.487 -1.659 12.003 103 HA LEU 11 HA LEU 11 -3.108 -3.136 12.945 104 HB2 LEU 11 HB2 LEU 11 -5.966 -3.066 14.021 105 HB3 LEU 11 HB3 LEU 11 -4.703 -4.102 14.656 106 HG LEU 11 HG LEU 11 -3.393 -1.951 15.198 107 HD11 LEU 11 HD11 LEU 11 -4.626 -0.364 13.802 108 HD12 LEU 11 HD12 LEU 11 -4.668 0.123 15.495 109 HD13 LEU 11 HD13 LEU 11 -6.088 -0.628 14.759 110 HD21 LEU 11 HD21 LEU 11 -5.986 -2.472 16.692 111 HD22 LEU 11 HD22 LEU 11 -4.584 -1.607 17.327 112 HD23 LEU 11 HD23 LEU 11 -4.455 -3.319 16.932 113 H LEU 12 H LEU 12 -2.624 -4.803 11.558 114 HA LEU 12 HA LEU 12 -4.850 -6.526 10.601 115 HB2 LEU 12 HB2 LEU 12 -3.272 -5.022 8.937 116 HB3 LEU 12 HB3 LEU 12 -2.322 -6.493 8.975 117 HG LEU 12 HG LEU 12 -3.800 -6.493 7.023 118 HD11 LEU 12 HD11 LEU 12 -3.369 -8.686 8.014 119 HD12 LEU 12 HD12 LEU 12 -4.963 -8.626 7.269 120 HD13 LEU 12 HD13 LEU 12 -4.808 -8.534 9.027 121 HD21 LEU 12 HD21 LEU 12 -5.545 -4.985 7.853 122 HD22 LEU 12 HD22 LEU 12 -6.140 -6.242 8.942 123 HD23 LEU 12 HD23 LEU 12 -6.249 -6.461 7.193 124 H ASN 13 H ASN 13 -4.832 -8.511 11.297 125 HA ASN 13 HA ASN 13 -2.491 -10.175 11.526 126 HB2 ASN 13 HB2 ASN 13 -2.409 -8.984 13.728 127 HB3 ASN 13 HB3 ASN 13 -4.056 -9.500 14.077 128 HD21 ASN 13 HD21 ASN 13 -3.582 -10.714 15.875 129 HD22 ASN 13 HD22 ASN 13 -2.624 -12.147 15.844 130 H ALA 14 H ALA 14 -3.097 -12.241 11.042 131 HA ALA 14 HA ALA 14 -5.679 -13.327 11.836 132 HB1 ALA 14 HB1 ALA 14 -4.982 -13.129 8.876 133 HB2 ALA 14 HB2 ALA 14 -6.261 -12.233 9.698 134 HB3 ALA 14 HB3 ALA 14 -6.368 -13.988 9.554 135 H THR 15 H THR 15 -3.772 -14.576 9.117 136 HA THR 15 HA THR 15 -2.011 -16.177 10.864 137 HB THR 15 HB THR 15 -3.322 -17.459 8.412 138 HG1 THR 15 HG1 THR 15 -5.008 -17.083 9.822 139 HG21 THR 15 HG21 THR 15 -1.947 -18.699 10.832 140 HG22 THR 15 HG22 THR 15 -1.255 -18.565 9.214 141 HG23 THR 15 HG23 THR 15 -2.662 -19.595 9.488 142 H SER 16 H SER 16 -1.956 -13.732 9.048 143 HA SER 16 HA SER 16 0.104 -14.528 7.066 144 HB2 SER 16 HB2 SER 16 -1.979 -12.311 6.795 145 HB3 SER 16 HB3 SER 16 -0.723 -12.686 5.612 146 HG SER 16 HG SER 16 -1.756 -14.505 5.057 147 H LYS 17 H LYS 17 1.981 -13.421 7.055 148 HA LYS 17 HA LYS 17 2.512 -11.419 9.154 149 HB2 LYS 17 HB2 LYS 17 4.361 -13.086 7.388 150 HB3 LYS 17 HB3 LYS 17 4.906 -11.989 8.657 151 HG2 LYS 17 HG2 LYS 17 3.823 -13.355 10.360 152 HG3 LYS 17 HG3 LYS 17 3.136 -14.408 9.115 153 HD2 LYS 17 HD2 LYS 17 5.443 -15.060 8.425 154 HD3 LYS 17 HD3 LYS 17 6.101 -14.050 9.720 155 HE2 LYS 17 HE2 LYS 17 5.009 -15.466 11.408 156 HE3 LYS 17 HE3 LYS 17 4.251 -16.434 10.141 157 HZ1 LYS 17 HZ1 LYS 17 7.172 -16.190 10.602 158 HZ2 LYS 17 HZ2 LYS 17 6.429 -17.144 9.419 159 HZ3 LYS 17 HZ3 LYS 17 6.214 -17.502 11.058 160 H ASN 18 H ASN 18 4.929 -10.441 7.722 161 HA ASN 18 HA ASN 18 4.116 -8.115 6.540 162 HB2 ASN 18 HB2 ASN 18 6.443 -7.974 5.576 163 HB3 ASN 18 HB3 ASN 18 6.379 -8.371 7.286 164 HD21 ASN 18 HD21 ASN 18 8.384 -9.368 7.346 165 HD22 ASN 18 HD22 ASN 18 8.728 -10.855 6.542 166 H ILE 19 H ILE 19 4.184 -11.204 4.962 167 HA ILE 19 HA ILE 19 4.445 -10.681 2.268 168 HB ILE 19 HB ILE 19 2.680 -12.786 3.556 169 HG12 ILE 19 HG12 ILE 19 4.723 -14.300 2.739 170 HG13 ILE 19 HG13 ILE 19 5.607 -12.781 2.751 171 HG21 ILE 19 HG21 ILE 19 3.606 -12.676 0.668 172 HG22 ILE 19 HG22 ILE 19 1.947 -12.519 1.249 173 HG23 ILE 19 HG23 ILE 19 2.795 -14.054 1.424 174 HD11 ILE 19 HD11 ILE 19 5.109 -12.553 5.149 175 HD12 ILE 19 HD12 ILE 19 5.991 -14.031 4.764 176 HD13 ILE 19 HD13 ILE 19 4.261 -14.102 5.102 177 H LEU 20 H LEU 20 1.708 -9.896 4.274 178 HA LEU 20 HA LEU 20 -0.511 -9.652 2.724 179 HB2 LEU 20 HB2 LEU 20 0.607 -7.637 4.711 180 HB3 LEU 20 HB3 LEU 20 -1.023 -7.523 4.067 181 HG LEU 20 HG LEU 20 -0.063 -9.959 5.617 182 HD11 LEU 20 HD11 LEU 20 -1.123 -9.035 7.618 183 HD12 LEU 20 HD12 LEU 20 -1.477 -7.531 6.763 184 HD13 LEU 20 HD13 LEU 20 0.199 -8.002 7.070 185 HD21 LEU 20 HD21 LEU 20 -2.062 -10.313 4.221 186 HD22 LEU 20 HD22 LEU 20 -2.866 -8.946 4.998 187 HD23 LEU 20 HD23 LEU 20 -2.467 -10.388 5.936 188 H TRP 21 H TRP 21 1.737 -6.863 3.062 189 HA TRP 21 HA TRP 21 1.063 -5.983 0.335 190 HB2 TRP 21 HB2 TRP 21 2.139 -4.496 2.733 191 HB3 TRP 21 HB3 TRP 21 2.293 -3.822 1.115 192 HD1 TRP 21 HD1 TRP 21 -0.462 -4.823 3.664 193 HE1 TRP 21 HE1 TRP 21 -2.585 -3.486 3.090 194 HE3 TRP 21 HE3 TRP 21 1.089 -2.638 -0.695 195 HZ2 TRP 21 HZ2 TRP 21 -3.497 -1.750 1.061 196 HZ3 TRP 21 HZ3 TRP 21 -0.467 -1.151 -1.894 197 HH2 TRP 21 HH2 TRP 21 -2.714 -0.713 -1.034 198 H SER 22 H SER 22 3.684 -7.549 1.993 199 HA SER 22 HA SER 22 5.889 -6.564 0.487 200 HB2 SER 22 HB2 SER 22 7.181 -8.272 1.419 201 HB3 SER 22 HB3 SER 22 5.807 -8.355 2.517 202 HG SER 22 HG SER 22 6.710 -10.339 1.302 203 H ALA 23 H ALA 23 3.290 -8.589 -0.397 204 HA ALA 23 HA ALA 23 4.141 -10.091 -2.554 205 HB1 ALA 23 HB1 ALA 23 1.772 -10.083 -3.232 206 HB2 ALA 23 HB2 ALA 23 1.472 -8.705 -2.170 207 HB3 ALA 23 HB3 ALA 23 1.932 -10.261 -1.481 208 H ILE 24 H ILE 24 3.483 -6.602 -2.460 209 HA ILE 24 HA ILE 24 3.304 -6.182 -5.284 210 HB ILE 24 HB ILE 24 3.459 -3.771 -4.838 211 HG12 ILE 24 HG12 ILE 24 4.318 -4.627 -2.048 212 HG13 ILE 24 HG13 ILE 24 5.198 -3.610 -3.171 213 HG21 ILE 24 HG21 ILE 24 1.495 -3.527 -3.371 214 HG22 ILE 24 HG22 ILE 24 1.714 -5.175 -2.782 215 HG23 ILE 24 HG23 ILE 24 1.293 -4.891 -4.473 216 HD11 ILE 24 HD11 ILE 24 3.463 -1.854 -2.841 217 HD12 ILE 24 HD12 ILE 24 4.341 -2.288 -1.375 218 HD13 ILE 24 HD13 ILE 24 2.709 -2.898 -1.630 219 H SER 25 H SER 25 6.000 -6.609 -3.191 220 HA SER 25 HA SER 25 8.035 -5.418 -4.845 221 HB2 SER 25 HB2 SER 25 8.347 -5.759 -2.427 222 HB3 SER 25 HB3 SER 25 8.249 -7.501 -2.637 223 HG SER 25 HG SER 25 10.405 -6.786 -2.502 224 H THR 26 H THR 26 6.309 -8.409 -5.006 225 HA THR 26 HA THR 26 8.294 -9.587 -6.872 226 HB THR 26 HB THR 26 7.391 -11.863 -6.205 227 HG1 THR 26 HG1 THR 26 5.646 -10.378 -4.811 228 HG21 THR 26 HG21 THR 26 8.717 -10.254 -3.997 229 HG22 THR 26 HG22 THR 26 9.533 -11.093 -5.322 230 HG23 THR 26 HG23 THR 26 8.665 -12.018 -4.097 231 HA PRO 27 HA PRO 27 5.198 -9.699 -10.158 232 HB2 PRO 27 HB2 PRO 27 5.998 -12.165 -11.289 233 HB3 PRO 27 HB3 PRO 27 6.711 -10.589 -11.656 234 HG2 PRO 27 HG2 PRO 27 7.626 -12.669 -9.666 235 HG3 PRO 27 HG3 PRO 27 8.594 -11.736 -10.834 236 HD2 PRO 27 HD2 PRO 27 8.577 -11.007 -8.302 237 HD3 PRO 27 HD3 PRO 27 8.425 -9.751 -9.552 238 H THR 28 H THR 28 5.718 -13.057 -8.987 239 HA THR 28 HA THR 28 3.206 -14.118 -9.319 240 HB THR 28 HB THR 28 5.071 -15.570 -8.846 241 HG1 THR 28 HG1 THR 28 3.336 -16.666 -8.176 242 HG21 THR 28 HG21 THR 28 6.153 -15.744 -6.624 243 HG22 THR 28 HG22 THR 28 5.197 -14.378 -6.048 244 HG23 THR 28 HG23 THR 28 6.391 -14.140 -7.327 245 H GLY 29 H GLY 29 4.366 -12.360 -6.444 246 HA2 GLY 29 HA2 GLY 29 2.069 -12.851 -4.804 247 HA3 GLY 29 HA3 GLY 29 3.306 -11.632 -4.532 248 H LEU 30 H LEU 30 2.960 -10.249 -7.025 249 HA LEU 30 HA LEU 30 0.992 -8.364 -6.142 250 HB2 LEU 30 HB2 LEU 30 3.319 -8.190 -7.574 251 HB3 LEU 30 HB3 LEU 30 2.165 -8.079 -8.885 252 HG LEU 30 HG LEU 30 2.224 -6.216 -6.481 253 HD11 LEU 30 HD11 LEU 30 3.250 -5.708 -9.284 254 HD12 LEU 30 HD12 LEU 30 4.237 -5.932 -7.837 255 HD13 LEU 30 HD13 LEU 30 3.177 -4.531 -7.967 256 HD21 LEU 30 HD21 LEU 30 0.725 -4.783 -7.771 257 HD22 LEU 30 HD22 LEU 30 0.000 -6.358 -7.456 258 HD23 LEU 30 HD23 LEU 30 0.655 -5.994 -9.057 259 H GLU 31 H GLU 31 1.143 -10.646 -8.891 260 HA GLU 31 HA GLU 31 -1.327 -9.775 -10.085 261 HB2 GLU 31 HB2 GLU 31 -1.078 -11.725 -11.579 262 HB3 GLU 31 HB3 GLU 31 0.395 -10.772 -11.464 263 HG2 GLU 31 HG2 GLU 31 1.418 -12.428 -10.001 264 HG3 GLU 31 HG3 GLU 31 -0.078 -13.364 -9.963 265 H ASP 32 H ASP 32 -0.911 -11.472 -7.259 266 HA ASP 32 HA ASP 32 -3.145 -13.268 -7.402 267 HB2 ASP 32 HB2 ASP 32 -1.319 -13.614 -5.778 268 HB3 ASP 32 HB3 ASP 32 -1.677 -12.069 -5.011 269 H TRP 33 H TRP 33 -2.842 -9.804 -6.856 270 HA TRP 33 HA TRP 33 -5.667 -9.537 -6.096 271 HB2 TRP 33 HB2 TRP 33 -5.141 -8.325 -3.987 272 HB3 TRP 33 HB3 TRP 33 -4.576 -9.987 -3.951 273 HD1 TRP 33 HD1 TRP 33 -1.724 -9.836 -5.163 274 HE1 TRP 33 HE1 TRP 33 0.155 -8.547 -3.996 275 HE3 TRP 33 HE3 TRP 33 -4.552 -6.697 -2.281 276 HZ2 TRP 33 HZ2 TRP 33 0.431 -6.487 -2.095 277 HZ3 TRP 33 HZ3 TRP 33 -3.398 -5.097 -0.804 278 HH2 TRP 33 HH2 TRP 33 -0.955 -4.998 -0.713 279 H PHE 34 H PHE 34 -3.734 -8.466 -8.289 280 HA PHE 34 HA PHE 34 -4.816 -5.719 -8.211 281 HB2 PHE 34 HB2 PHE 34 -2.473 -5.633 -7.324 282 HB3 PHE 34 HB3 PHE 34 -1.890 -6.301 -8.838 283 HD1 PHE 34 HD2 PHE 34 -3.794 -3.358 -7.464 284 HD2 PHE 34 HD1 PHE 34 -1.245 -4.817 -10.580 285 HE1 PHE 34 HE2 PHE 34 -3.570 -1.079 -8.364 286 HE2 PHE 34 HE1 PHE 34 -1.019 -2.531 -11.458 287 HZ PHE 34 HZ PHE 34 -2.187 -0.662 -10.358 288 H ALA 35 H ALA 35 -2.530 -7.404 -10.412 289 HA ALA 35 HA ALA 35 -4.363 -6.924 -12.699 290 HB1 ALA 35 HB1 ALA 35 -2.120 -5.891 -12.893 291 HB2 ALA 35 HB2 ALA 35 -2.366 -7.126 -14.130 292 HB3 ALA 35 HB3 ALA 35 -1.368 -7.479 -12.715 293 H ASP 36 H ASP 36 -4.440 -8.651 -14.376 294 HA ASP 36 HA ASP 36 -4.976 -11.275 -13.546 295 HB2 ASP 36 HB2 ASP 36 -4.062 -10.234 -16.269 296 HB3 ASP 36 HB3 ASP 36 -4.679 -11.865 -16.001 297 H LYS 37 H LYS 37 -2.095 -9.946 -15.068 298 HA LYS 37 HA LYS 37 -0.350 -11.978 -13.853 299 HB2 LYS 37 HB2 LYS 37 -0.787 -12.692 -16.180 300 HB3 LYS 37 HB3 LYS 37 -0.285 -11.107 -16.772 301 HG2 LYS 37 HG2 LYS 37 1.987 -11.489 -15.960 302 HG3 LYS 37 HG3 LYS 37 1.501 -13.038 -15.263 303 HD2 LYS 37 HD2 LYS 37 1.449 -12.359 -18.228 304 HD3 LYS 37 HD3 LYS 37 2.725 -13.269 -17.413 305 HE2 LYS 37 HE2 LYS 37 -0.179 -14.105 -17.711 306 HE3 LYS 37 HE3 LYS 37 1.210 -14.800 -18.547 307 HZ1 LYS 37 HZ1 LYS 37 0.600 -16.209 -16.738 308 HZ2 LYS 37 HZ2 LYS 37 0.643 -14.931 -15.635 309 HZ3 LYS 37 HZ3 LYS 37 2.074 -15.478 -16.351 310 H VAL 38 H VAL 38 1.599 -11.146 -13.172 311 HA VAL 38 HA VAL 38 2.379 -8.410 -14.002 312 HB VAL 38 HB VAL 38 2.571 -9.589 -11.185 313 HG11 VAL 38 HG11 VAL 38 3.712 -7.473 -10.529 314 HG12 VAL 38 HG12 VAL 38 3.803 -7.007 -12.230 315 HG13 VAL 38 HG13 VAL 38 4.679 -8.431 -11.655 316 HG21 VAL 38 HG21 VAL 38 1.225 -7.620 -10.512 317 HG22 VAL 38 HG22 VAL 38 0.367 -8.592 -11.710 318 HG23 VAL 38 HG23 VAL 38 1.153 -7.086 -12.195 319 H VAL 39 H VAL 39 4.074 -8.724 -15.305 320 HA VAL 39 HA VAL 39 6.133 -10.752 -14.716 321 HB VAL 39 HB VAL 39 5.824 -8.957 -17.169 322 HG11 VAL 39 HG11 VAL 39 7.623 -11.382 -16.741 323 HG12 VAL 39 HG12 VAL 39 8.156 -9.703 -16.864 324 HG13 VAL 39 HG13 VAL 39 7.434 -10.503 -18.261 325 HG21 VAL 39 HG21 VAL 39 3.906 -10.500 -16.997 326 HG22 VAL 39 HG22 VAL 39 5.000 -11.875 -16.828 327 HG23 VAL 39 HG23 VAL 39 4.952 -10.969 -18.341 328 H SER 40 H SER 40 7.960 -10.149 -13.653 329 HA SER 40 HA SER 40 8.621 -7.328 -13.239 330 HB2 SER 40 HB2 SER 40 8.805 -8.883 -11.334 331 HB3 SER 40 HB3 SER 40 10.000 -9.844 -12.202 332 HG SER 40 HG SER 40 10.888 -8.315 -10.673 333 H ASP 41 H ASP 41 10.583 -6.379 -13.767 334 HA ASP 41 HA ASP 41 12.329 -7.633 -15.813 335 HB2 ASP 41 HB2 ASP 41 10.851 -5.761 -16.671 336 HB3 ASP 41 HB3 ASP 41 11.594 -4.677 -15.502 337 H ASP 42 H ASP 42 12.322 -7.440 -12.777 338 HA ASP 42 HA ASP 42 13.678 -7.260 -11.012 339 HB2 ASP 42 HB2 ASP 42 15.493 -8.034 -12.623 340 HB3 ASP 42 HB3 ASP 42 15.938 -6.348 -12.843 341 H LYS 43 H LYS 43 14.417 -4.504 -13.165 342 HA LYS 43 HA LYS 43 14.444 -2.576 -10.982 343 HB2 LYS 43 HB2 LYS 43 15.246 -1.010 -12.646 344 HB3 LYS 43 HB3 LYS 43 16.096 -2.532 -12.880 345 HG2 LYS 43 HG2 LYS 43 14.376 -3.034 -14.737 346 HG3 LYS 43 HG3 LYS 43 13.887 -1.348 -14.594 347 HD2 LYS 43 HD2 LYS 43 15.432 -1.391 -16.406 348 HD3 LYS 43 HD3 LYS 43 16.349 -0.741 -15.044 349 HE2 LYS 43 HE2 LYS 43 17.697 -2.385 -16.266 350 HE3 LYS 43 HE3 LYS 43 17.328 -2.994 -14.652 351 HZ1 LYS 43 HZ1 LYS 43 15.587 -4.372 -15.587 352 HZ2 LYS 43 HZ2 LYS 43 17.046 -4.693 -16.377 353 HZ3 LYS 43 HZ3 LYS 43 15.865 -3.744 -17.131 354 H THR 44 H THR 44 12.223 -3.632 -13.505 355 HA THR 44 HA THR 44 10.281 -1.475 -12.849 356 HB THR 44 HB THR 44 10.699 -2.675 -15.633 357 HG1 THR 44 HG1 THR 44 11.320 -0.005 -14.966 358 HG21 THR 44 HG21 THR 44 9.260 -0.796 -16.400 359 HG22 THR 44 HG22 THR 44 9.029 -0.292 -14.724 360 HG23 THR 44 HG23 THR 44 8.390 -1.843 -15.273 361 H VAL 45 H VAL 45 8.115 -2.122 -12.706 362 HA VAL 45 HA VAL 45 7.552 -5.034 -12.752 363 HB VAL 45 HB VAL 45 6.199 -2.826 -11.128 364 HG11 VAL 45 HG11 VAL 45 5.084 -4.676 -9.923 365 HG12 VAL 45 HG12 VAL 45 5.807 -5.837 -11.036 366 HG13 VAL 45 HG13 VAL 45 4.639 -4.654 -11.631 367 HG21 VAL 45 HG21 VAL 45 8.159 -4.976 -10.221 368 HG22 VAL 45 HG22 VAL 45 7.314 -3.848 -9.156 369 HG23 VAL 45 HG23 VAL 45 8.493 -3.244 -10.323 370 H THR 46 H THR 46 6.284 -5.676 -14.443 371 HA THR 46 HA THR 46 4.599 -3.719 -15.895 372 HB THR 46 HB THR 46 5.500 -6.496 -16.809 373 HG1 THR 46 HG1 THR 46 7.343 -5.432 -16.956 374 HG21 THR 46 HG21 THR 46 4.837 -5.726 -19.070 375 HG22 THR 46 HG22 THR 46 4.260 -4.202 -18.394 376 HG23 THR 46 HG23 THR 46 3.452 -5.715 -17.974 377 H PHE 47 H PHE 47 2.539 -3.712 -15.224 378 HA PHE 47 HA PHE 47 1.118 -6.055 -14.225 379 HB2 PHE 47 HB2 PHE 47 -0.123 -3.331 -14.758 380 HB3 PHE 47 HB3 PHE 47 -0.604 -4.545 -13.575 381 HD1 PHE 47 HD1 PHE 47 1.127 -5.044 -11.673 382 HD2 PHE 47 HD2 PHE 47 1.175 -1.505 -14.069 383 HE1 PHE 47 HE1 PHE 47 2.406 -3.868 -9.935 384 HE2 PHE 47 HE2 PHE 47 2.461 -0.340 -12.323 385 HZ PHE 47 HZ PHE 47 3.083 -1.522 -10.251 386 H CYS 48 H CYS 48 0.712 -7.421 -15.930 387 HA CYS 48 HA CYS 48 -0.442 -6.436 -18.449 388 HB2 CYS 48 HB2 CYS 48 1.368 -8.099 -18.572 389 HB3 CYS 48 HB3 CYS 48 0.408 -9.241 -17.638 390 HG CYS 48 HG CYS 48 0.479 -8.760 -20.872 391 H TRP 49 H TRP 49 -2.611 -6.102 -18.418 392 HA TRP 49 HA TRP 49 -4.439 -7.976 -17.053 393 HB2 TRP 49 HB2 TRP 49 -4.928 -5.267 -18.365 394 HB3 TRP 49 HB3 TRP 49 -6.211 -6.270 -17.695 395 HD1 TRP 49 HD1 TRP 49 -6.125 -6.659 -14.947 396 HE1 TRP 49 HE1 TRP 49 -5.303 -5.073 -13.101 397 HE3 TRP 49 HE3 TRP 49 -3.254 -3.513 -17.791 398 HZ2 TRP 49 HZ2 TRP 49 -3.662 -2.795 -12.865 399 HZ3 TRP 49 HZ3 TRP 49 -2.091 -1.646 -16.676 400 HH2 TRP 49 HH2 TRP 49 -2.293 -1.294 -14.259 401 H GLY 50 H GLY 50 -3.528 -6.880 -20.294 402 HA2 GLY 50 HA2 GLY 50 -4.862 -9.144 -21.546 403 HA3 GLY 50 HA3 GLY 50 -5.566 -7.583 -21.943 404 H LYS 51 H LYS 51 -5.039 -7.717 -24.133 405 HA LYS 51 HA LYS 51 -2.462 -8.412 -25.164 406 HB2 LYS 51 HB2 LYS 51 -4.907 -7.130 -26.433 407 HB3 LYS 51 HB3 LYS 51 -3.417 -7.298 -27.342 408 HG2 LYS 51 HG2 LYS 51 -4.884 -9.102 -27.933 409 HG3 LYS 51 HG3 LYS 51 -3.520 -9.765 -27.030 410 HD2 LYS 51 HD2 LYS 51 -4.905 -10.004 -25.031 411 HD3 LYS 51 HD3 LYS 51 -6.257 -9.185 -25.821 412 HE2 LYS 51 HE2 LYS 51 -6.571 -11.636 -25.782 413 HE3 LYS 51 HE3 LYS 51 -6.463 -11.023 -27.433 414 HZ1 LYS 51 HZ1 LYS 51 -5.187 -13.054 -27.126 415 HZ2 LYS 51 HZ2 LYS 51 -4.246 -12.316 -25.932 416 HZ3 LYS 51 HZ3 LYS 51 -4.176 -11.760 -27.529 417 H THR 52 H THR 52 -4.051 -5.226 -25.656 418 HA THR 52 HA THR 52 -1.435 -3.861 -25.414 419 HB THR 52 HB THR 52 -2.523 -1.917 -26.506 420 HG1 THR 52 HG1 THR 52 -4.634 -1.789 -26.577 421 HG21 THR 52 HG21 THR 52 -1.484 -3.619 -27.963 422 HG22 THR 52 HG22 THR 52 -2.893 -2.902 -28.745 423 HG23 THR 52 HG23 THR 52 -3.008 -4.510 -28.025 424 H GLU 53 H GLU 53 -3.875 -4.672 -23.381 425 HA GLU 53 HA GLU 53 -3.909 -2.165 -21.846 426 HB2 GLU 53 HB2 GLU 53 -6.054 -3.412 -22.210 427 HB3 GLU 53 HB3 GLU 53 -5.416 -4.753 -21.265 428 HG2 GLU 53 HG2 GLU 53 -5.332 -3.377 -19.263 429 HG3 GLU 53 HG3 GLU 53 -5.746 -1.932 -20.189 430 H GLN 54 H GLN 54 -1.756 -2.142 -21.191 431 HA GLN 54 HA GLN 54 -1.312 -3.536 -18.679 432 HB2 GLN 54 HB2 GLN 54 0.886 -4.395 -19.150 433 HB3 GLN 54 HB3 GLN 54 -0.168 -4.981 -20.425 434 HG2 GLN 54 HG2 GLN 54 1.682 -2.595 -20.738 435 HG3 GLN 54 HG3 GLN 54 2.123 -4.241 -21.173 436 HE21 GLN 54 HE21 GLN 54 1.798 -1.736 -22.778 437 HE22 GLN 54 HE22 GLN 54 0.730 -2.173 -24.064 438 H ARG 55 H ARG 55 0.252 -2.523 -17.333 439 HA ARG 55 HA ARG 55 1.355 0.082 -18.188 440 HB2 ARG 55 HB2 ARG 55 -0.210 -0.481 -15.633 441 HB3 ARG 55 HB3 ARG 55 0.930 0.859 -15.732 442 HG2 ARG 55 HG2 ARG 55 -1.498 0.499 -17.521 443 HG3 ARG 55 HG3 ARG 55 -1.412 1.565 -16.115 444 HD2 ARG 55 HD2 ARG 55 0.358 2.885 -17.199 445 HD3 ARG 55 HD3 ARG 55 0.346 1.796 -18.591 446 HE ARG 55 HE ARG 55 -2.237 2.740 -18.336 447 HH11 ARG 55 HH11 ARG 55 0.860 4.186 -18.927 448 HH12 ARG 55 HH12 ARG 55 0.177 5.490 -19.828 449 HH21 ARG 55 HH21 ARG 55 -3.055 4.411 -19.497 450 HH22 ARG 55 HH22 ARG 55 -2.003 5.619 -20.146 451 H GLN 56 H GLN 56 3.091 0.808 -16.642 452 HA GLN 56 HA GLN 56 4.556 -1.391 -15.328 453 HB2 GLN 56 HB2 GLN 56 5.805 0.464 -17.412 454 HB3 GLN 56 HB3 GLN 56 6.695 -0.663 -16.390 455 HG2 GLN 56 HG2 GLN 56 5.487 -2.551 -17.446 456 HG3 GLN 56 HG3 GLN 56 4.643 -1.409 -18.489 457 HE21 GLN 56 HE21 GLN 56 7.691 -2.960 -17.820 458 HE22 GLN 56 HE22 GLN 56 8.460 -2.534 -19.305 459 H ALA 57 H ALA 57 5.826 -0.766 -13.613 460 HA ALA 57 HA ALA 57 6.169 2.078 -12.973 461 HB1 ALA 57 HB1 ALA 57 4.859 0.119 -11.036 462 HB2 ALA 57 HB2 ALA 57 4.041 1.436 -11.880 463 HB3 ALA 57 HB3 ALA 57 5.289 1.798 -10.684 464 H GLY 58 H GLY 58 8.263 2.362 -12.514 465 HA2 GLY 58 HA2 GLY 58 10.032 0.206 -11.690 466 HA3 GLY 58 HA3 GLY 58 10.467 1.888 -11.960 467 H ILE 59 H ILE 59 11.302 0.162 -9.759 468 HA ILE 59 HA ILE 59 9.908 1.090 -7.368 469 HB ILE 59 HB ILE 59 12.539 -0.475 -7.535 470 HG12 ILE 59 HG12 ILE 59 11.029 -2.422 -6.676 471 HG13 ILE 59 HG13 ILE 59 9.668 -1.449 -7.209 472 HG21 ILE 59 HG21 ILE 59 12.181 -0.977 -5.127 473 HG22 ILE 59 HG22 ILE 59 10.759 0.070 -5.119 474 HG23 ILE 59 HG23 ILE 59 12.359 0.757 -5.416 475 HD11 ILE 59 HD11 ILE 59 10.249 -3.162 -8.818 476 HD12 ILE 59 HD12 ILE 59 11.881 -2.511 -8.967 477 HD13 ILE 59 HD13 ILE 59 10.495 -1.559 -9.505 478 H VAL 60 H VAL 60 10.467 2.878 -6.165 479 HA VAL 60 HA VAL 60 12.649 4.614 -7.047 480 HB VAL 60 HB VAL 60 10.670 5.048 -4.758 481 HG11 VAL 60 HG11 VAL 60 11.240 7.450 -4.973 482 HG12 VAL 60 HG12 VAL 60 12.427 7.066 -6.220 483 HG13 VAL 60 HG13 VAL 60 12.666 6.489 -4.568 484 HG21 VAL 60 HG21 VAL 60 9.434 4.770 -6.864 485 HG22 VAL 60 HG22 VAL 60 10.439 5.998 -7.641 486 HG23 VAL 60 HG23 VAL 60 9.358 6.449 -6.321 487 H ALA 61 H ALA 61 11.603 3.107 -3.976 488 HA ALA 61 HA ALA 61 14.308 2.437 -3.176 489 HB1 ALA 61 HB1 ALA 61 12.735 4.425 -1.490 490 HB2 ALA 61 HB2 ALA 61 14.186 4.790 -2.428 491 HB3 ALA 61 HB3 ALA 61 14.281 3.689 -1.052 492 H ILE 62 H ILE 62 14.363 0.904 -1.477 493 HA ILE 62 HA ILE 62 12.015 -0.016 -0.081 494 HB ILE 62 HB ILE 62 11.499 -1.083 -2.226 495 HG12 ILE 62 HG12 ILE 62 12.555 -3.139 -0.214 496 HG13 ILE 62 HG13 ILE 62 10.943 -2.437 -0.239 497 HG21 ILE 62 HG21 ILE 62 13.010 -2.652 -3.368 498 HG22 ILE 62 HG22 ILE 62 14.262 -2.347 -2.162 499 HG23 ILE 62 HG23 ILE 62 13.735 -1.048 -3.234 500 HD11 ILE 62 HD11 ILE 62 10.508 -3.586 -2.374 501 HD12 ILE 62 HD12 ILE 62 10.908 -4.698 -1.068 502 HD13 ILE 62 HD13 ILE 62 12.115 -4.312 -2.293 503 H ARG 63 H ARG 63 12.511 -1.537 1.561 504 HA ARG 63 HA ARG 63 15.132 -2.766 1.776 505 HB2 ARG 63 HB2 ARG 63 15.528 -0.499 2.748 506 HB3 ARG 63 HB3 ARG 63 14.247 -0.779 3.922 507 HG2 ARG 63 HG2 ARG 63 15.549 -2.614 4.922 508 HG3 ARG 63 HG3 ARG 63 16.818 -2.389 3.712 509 HD2 ARG 63 HD2 ARG 63 17.252 -0.125 4.577 510 HD3 ARG 63 HD3 ARG 63 15.959 -0.318 5.766 511 HE ARG 63 HE ARG 63 17.591 -2.414 6.304 512 HH11 ARG 63 HH11 ARG 63 18.242 0.982 6.009 513 HH12 ARG 63 HH12 ARG 63 19.568 0.919 7.116 514 HH21 ARG 63 HH21 ARG 63 19.268 -2.445 7.728 515 HH22 ARG 63 HH22 ARG 63 20.127 -0.989 8.084 516 H ALA 64 H ALA 64 14.308 -4.755 1.947 517 HA ALA 64 HA ALA 64 13.024 -6.543 2.395 518 HB1 ALA 64 HB1 ALA 64 12.848 -7.181 4.749 519 HB2 ALA 64 HB2 ALA 64 13.204 -5.523 5.242 520 HB3 ALA 64 HB3 ALA 64 14.431 -6.479 4.407 521 H TYR 65 H TYR 65 11.418 -4.782 5.022 522 HA TYR 65 HA TYR 65 8.994 -4.265 3.454 523 HB2 TYR 65 HB2 TYR 65 7.514 -5.433 5.076 524 HB3 TYR 65 HB3 TYR 65 8.601 -6.548 4.268 525 HD1 TYR 65 HD2 TYR 65 10.476 -7.616 5.532 526 HD2 TYR 65 HD1 TYR 65 7.672 -5.055 7.494 527 HE1 TYR 65 HE2 TYR 65 11.195 -8.499 7.710 528 HE2 TYR 65 HE1 TYR 65 8.394 -5.939 9.675 529 HH TYR 65 HH TYR 65 11.195 -7.837 10.074 530 H SER 66 H SER 66 11.239 -3.204 5.580 531 HA SER 66 HA SER 66 9.906 -1.587 7.455 532 HB2 SER 66 HB2 SER 66 12.567 -1.092 6.041 533 HB3 SER 66 HB3 SER 66 11.988 -0.169 7.432 534 HG SER 66 HG SER 66 12.676 -1.698 8.661 535 H PHE 67 H PHE 67 10.404 -1.181 4.020 536 HA PHE 67 HA PHE 67 8.370 0.705 3.662 537 HB2 PHE 67 HB2 PHE 67 9.655 2.710 2.863 538 HB3 PHE 67 HB3 PHE 67 9.809 2.432 4.589 539 HD1 PHE 67 HD1 PHE 67 11.622 2.337 1.347 540 HD2 PHE 67 HD2 PHE 67 11.965 1.875 5.586 541 HE1 PHE 67 HE1 PHE 67 14.068 2.455 1.169 542 HE2 PHE 67 HE2 PHE 67 14.416 2.000 5.396 543 HZ PHE 67 HZ PHE 67 15.465 2.293 3.187 544 H ILE 68 H ILE 68 7.831 0.993 1.483 545 HA ILE 68 HA ILE 68 9.715 0.289 -0.625 546 HB ILE 68 HB ILE 68 8.667 -1.891 -0.096 547 HG12 ILE 68 HG12 ILE 68 7.671 -0.822 -2.784 548 HG13 ILE 68 HG13 ILE 68 9.311 -1.381 -2.467 549 HG21 ILE 68 HG21 ILE 68 6.542 -1.131 0.839 550 HG22 ILE 68 HG22 ILE 68 6.247 -2.292 -0.456 551 HG23 ILE 68 HG23 ILE 68 6.016 -0.565 -0.749 552 HD11 ILE 68 HD11 ILE 68 8.013 -3.058 -3.637 553 HD12 ILE 68 HD12 ILE 68 6.812 -3.065 -2.348 554 HD13 ILE 68 HD13 ILE 68 8.452 -3.631 -2.029 555 H ARG 69 H ARG 69 9.374 1.386 -2.498 556 HA ARG 69 HA ARG 69 6.997 3.146 -2.744 557 HB2 ARG 69 HB2 ARG 69 9.903 3.967 -3.197 558 HB3 ARG 69 HB3 ARG 69 8.507 4.957 -3.592 559 HG2 ARG 69 HG2 ARG 69 9.162 5.892 -1.585 560 HG3 ARG 69 HG3 ARG 69 7.951 4.737 -1.046 561 HD2 ARG 69 HD2 ARG 69 9.752 3.148 -0.439 562 HD3 ARG 69 HD3 ARG 69 10.957 4.329 -0.968 563 HE ARG 69 HE ARG 69 9.060 4.840 1.256 564 HH11 ARG 69 HH11 ARG 69 12.287 5.014 0.007 565 HH12 ARG 69 HH12 ARG 69 12.900 5.761 1.437 566 HH21 ARG 69 HH21 ARG 69 9.867 5.827 3.034 567 HH22 ARG 69 HH22 ARG 69 11.553 6.214 3.125 568 H PHE 70 H PHE 70 6.161 3.324 -4.779 569 HA PHE 70 HA PHE 70 7.733 2.365 -7.121 570 HB2 PHE 70 HB2 PHE 70 4.745 2.018 -6.588 571 HB3 PHE 70 HB3 PHE 70 5.485 1.753 -8.164 572 HD1 PHE 70 HD1 PHE 70 7.083 -0.118 -8.508 573 HD2 PHE 70 HD2 PHE 70 4.966 0.374 -4.824 574 HE1 PHE 70 HE1 PHE 70 7.638 -2.425 -7.869 575 HE2 PHE 70 HE2 PHE 70 5.533 -1.930 -4.204 576 HZ PHE 70 HZ PHE 70 6.860 -3.331 -5.722 577 H HIS 71 H HIS 71 7.361 3.442 -9.082 578 HA HIS 71 HA HIS 71 5.580 5.745 -9.240 579 HB2 HIS 71 HB2 HIS 71 8.511 6.035 -8.995 580 HB3 HIS 71 HB3 HIS 71 7.936 6.733 -10.499 581 HD1 HIS 71 HD1 HIS 71 7.784 9.144 -10.157 582 HD2 HIS 71 HD2 HIS 71 6.447 7.100 -6.808 583 HE1 HIS 71 HE1 HIS 71 6.944 10.916 -8.602 584 HE2 HIS 71 HE2 HIS 71 5.921 9.633 -6.701 585 H TRP 72 H TRP 72 4.693 5.913 -11.256 586 HA TRP 72 HA TRP 72 4.969 3.664 -13.006 587 HB2 TRP 72 HB2 TRP 72 3.374 6.224 -13.463 588 HB3 TRP 72 HB3 TRP 72 3.161 4.700 -14.325 589 HD1 TRP 72 HD1 TRP 72 2.515 2.520 -12.487 590 HE1 TRP 72 HE1 TRP 72 0.773 2.589 -10.596 591 HE3 TRP 72 HE3 TRP 72 2.094 7.600 -11.934 592 HZ2 TRP 72 HZ2 TRP 72 -0.595 4.520 -9.065 593 HZ3 TRP 72 HZ3 TRP 72 0.534 8.477 -10.235 594 HH2 TRP 72 HH2 TRP 72 -0.784 6.966 -8.832 595 H LEU 73 H LEU 73 5.386 3.725 -15.325 596 HA LEU 73 HA LEU 73 7.742 5.154 -16.061 597 HB2 LEU 73 HB2 LEU 73 6.021 3.069 -17.230 598 HB3 LEU 73 HB3 LEU 73 6.675 4.139 -18.463 599 HG LEU 73 HG LEU 73 8.284 2.473 -16.482 600 HD11 LEU 73 HD11 LEU 73 9.072 1.253 -18.452 601 HD12 LEU 73 HD12 LEU 73 8.042 2.236 -19.498 602 HD13 LEU 73 HD13 LEU 73 7.319 1.152 -18.308 603 HD21 LEU 73 HD21 LEU 73 10.302 3.288 -17.637 604 HD22 LEU 73 HD22 LEU 73 9.429 4.610 -16.872 605 HD23 LEU 73 HD23 LEU 73 9.314 4.377 -18.617 606 H ASP 74 H ASP 74 4.428 6.007 -16.228 607 HA ASP 74 HA ASP 74 4.706 8.117 -18.223 608 HB2 ASP 74 HB2 ASP 74 2.422 7.309 -16.375 609 HB3 ASP 74 HB3 ASP 74 2.308 8.586 -17.587 610 H ASP 75 H ASP 75 5.938 7.959 -15.197 611 HA ASP 75 HA ASP 75 5.045 10.393 -13.998 612 HB2 ASP 75 HB2 ASP 75 6.003 8.665 -12.589 613 HB3 ASP 75 HB3 ASP 75 7.527 8.715 -13.471 614 H GLU 76 H GLU 76 5.197 12.037 -15.455 615 HA GLU 76 HA GLU 76 7.797 12.998 -16.411 616 HB2 GLU 76 HB2 GLU 76 5.846 13.261 -17.887 617 HB3 GLU 76 HB3 GLU 76 4.965 14.107 -16.620 618 HG2 GLU 76 HG2 GLU 76 6.754 15.921 -16.744 619 HG3 GLU 76 HG3 GLU 76 7.367 15.100 -18.184 620 H ASN 77 H ASN 77 5.145 14.064 -14.265 621 HA ASN 77 HA ASN 77 6.942 15.616 -12.571 622 HB2 ASN 77 HB2 ASN 77 6.416 17.224 -14.371 623 HB3 ASN 77 HB3 ASN 77 4.696 16.934 -14.173 624 HD21 ASN 77 HD21 ASN 77 3.615 17.888 -12.412 625 HD22 ASN 77 HD22 ASN 77 4.330 19.150 -11.475 626 H GLU 78 H GLU 78 6.306 14.075 -11.018 627 HA GLU 78 HA GLU 78 3.674 14.646 -9.782 628 HB2 GLU 78 HB2 GLU 78 4.172 12.224 -10.220 629 HB3 GLU 78 HB3 GLU 78 5.574 12.338 -9.161 630 HG2 GLU 78 HG2 GLU 78 4.108 12.856 -7.254 631 HG3 GLU 78 HG3 GLU 78 2.701 12.818 -8.313 632 H ARG 79 H ARG 79 3.800 16.201 -8.287 633 HA ARG 79 HA ARG 79 6.232 17.173 -7.149 634 HB2 ARG 79 HB2 ARG 79 4.271 18.621 -7.601 635 HB3 ARG 79 HB3 ARG 79 3.329 17.747 -6.403 636 HG2 ARG 79 HG2 ARG 79 4.070 19.899 -5.519 637 HG3 ARG 79 HG3 ARG 79 4.804 18.574 -4.614 638 HD2 ARG 79 HD2 ARG 79 6.894 18.863 -5.910 639 HD3 ARG 79 HD3 ARG 79 6.163 20.211 -6.786 640 HE ARG 79 HE ARG 79 5.899 21.071 -4.292 641 HH11 ARG 79 HH11 ARG 79 8.689 19.618 -5.756 642 HH12 ARG 79 HH12 ARG 79 9.784 20.506 -4.763 643 HH21 ARG 79 HH21 ARG 79 7.315 22.173 -3.064 644 HH22 ARG 79 HH22 ARG 79 9.016 21.935 -3.258 645 H ASP 80 H ASP 80 3.766 14.955 -6.011 646 HA ASP 80 HA ASP 80 4.940 14.774 -3.300 647 HB2 ASP 80 HB2 ASP 80 2.210 13.935 -4.364 648 HB3 ASP 80 HB3 ASP 80 2.744 13.778 -2.688 649 H TYR 81 H TYR 81 3.808 12.204 -2.646 650 HA TYR 81 HA TYR 81 4.868 10.186 -4.420 651 HB2 TYR 81 HB2 TYR 81 6.682 9.373 -3.018 652 HB3 TYR 81 HB3 TYR 81 6.966 11.077 -3.328 653 HD1 TYR 81 HD2 TYR 81 6.345 12.771 -1.451 654 HD2 TYR 81 HD1 TYR 81 6.594 8.556 -0.750 655 HE1 TYR 81 HE2 TYR 81 6.549 13.178 0.967 656 HE2 TYR 81 HE1 TYR 81 6.794 8.969 1.663 657 HH TYR 81 HH TYR 81 7.510 10.767 3.170 658 H PHE 82 H PHE 82 4.620 7.967 -3.512 659 HA PHE 82 HA PHE 82 3.026 7.740 -1.045 660 HB2 PHE 82 HB2 PHE 82 1.480 6.118 -1.994 661 HB3 PHE 82 HB3 PHE 82 1.430 7.577 -2.965 662 HD1 PHE 82 HD2 PHE 82 2.719 7.587 -5.215 663 HD2 PHE 82 HD1 PHE 82 1.894 3.997 -3.012 664 HE1 PHE 82 HE2 PHE 82 3.076 6.252 -7.250 665 HE2 PHE 82 HE1 PHE 82 2.263 2.675 -5.063 666 HZ PHE 82 HZ PHE 82 2.848 3.801 -7.179 667 H GLU 83 H GLU 83 3.559 6.043 0.268 668 HA GLU 83 HA GLU 83 5.198 3.818 -0.747 669 HB2 GLU 83 HB2 GLU 83 6.837 3.954 1.017 670 HB3 GLU 83 HB3 GLU 83 6.787 5.504 0.194 671 HG2 GLU 83 HG2 GLU 83 5.554 6.499 2.039 672 HG3 GLU 83 HG3 GLU 83 5.446 4.939 2.854 673 H ILE 84 H ILE 84 5.244 1.954 0.652 674 HA ILE 84 HA ILE 84 3.089 1.824 2.692 675 HB ILE 84 HB ILE 84 3.792 -0.471 0.787 676 HG12 ILE 84 HG12 ILE 84 1.240 -0.074 0.092 677 HG13 ILE 84 HG13 ILE 84 1.537 1.561 0.662 678 HG21 ILE 84 HG21 ILE 84 1.852 -1.624 1.811 679 HG22 ILE 84 HG22 ILE 84 1.631 -0.271 2.922 680 HG23 ILE 84 HG23 ILE 84 3.098 -1.250 3.003 681 HD11 ILE 84 HD11 ILE 84 3.045 0.150 -1.542 682 HD12 ILE 84 HD12 ILE 84 3.312 1.811 -0.995 683 HD13 ILE 84 HD13 ILE 84 1.779 1.362 -1.743 684 H LYS 85 H LYS 85 3.775 1.016 4.645 685 HA LYS 85 HA LYS 85 6.088 -0.830 4.761 686 HB2 LYS 85 HB2 LYS 85 6.897 0.331 6.810 687 HB3 LYS 85 HB3 LYS 85 6.955 1.376 5.397 688 HG2 LYS 85 HG2 LYS 85 4.996 2.590 6.119 689 HG3 LYS 85 HG3 LYS 85 4.699 1.441 7.416 690 HD2 LYS 85 HD2 LYS 85 5.610 3.405 8.430 691 HD3 LYS 85 HD3 LYS 85 6.876 2.178 8.480 692 HE2 LYS 85 HE2 LYS 85 6.734 4.347 6.356 693 HE3 LYS 85 HE3 LYS 85 7.626 4.525 7.865 694 HZ1 LYS 85 HZ1 LYS 85 9.157 3.836 6.257 695 HZ2 LYS 85 HZ2 LYS 85 8.145 2.624 5.664 696 HZ3 LYS 85 HZ3 LYS 85 8.859 2.463 7.184 697 H MET 86 H MET 86 6.169 -2.053 6.823 698 HA MET 86 HA MET 86 3.847 -1.912 8.593 699 HB2 MET 86 HB2 MET 86 3.466 -4.344 8.658 700 HB3 MET 86 HB3 MET 86 3.182 -3.714 7.045 701 HG2 MET 86 HG2 MET 86 5.865 -4.899 7.682 702 HG3 MET 86 HG3 MET 86 4.499 -5.965 7.373 703 HE1 MET 86 HE1 MET 86 2.829 -4.422 5.186 704 HE2 MET 86 HE2 MET 86 3.228 -6.141 5.183 705 HE3 MET 86 HE3 MET 86 3.527 -5.163 3.744 706 H SER 87 H SER 87 4.181 -2.874 10.627 707 HA SER 87 HA SER 87 6.855 -3.876 11.349 708 HB2 SER 87 HB2 SER 87 6.970 -1.450 11.852 709 HB3 SER 87 HB3 SER 87 5.485 -1.557 12.798 710 HG SER 87 HG SER 87 6.736 -2.021 14.418 711 H TYR 88 H TYR 88 6.807 -5.251 13.207 712 HA TYR 88 HA TYR 88 4.100 -6.334 13.752 713 HB2 TYR 88 HB2 TYR 88 5.586 -7.959 12.667 714 HB3 TYR 88 HB3 TYR 88 6.819 -7.717 13.902 715 HD1 TYR 88 HD1 TYR 88 3.093 -8.355 14.066 716 HD2 TYR 88 HD2 TYR 88 6.993 -9.680 15.227 717 HE1 TYR 88 HE1 TYR 88 2.089 -10.136 15.419 718 HE2 TYR 88 HE2 TYR 88 5.976 -11.467 16.578 719 HH TYR 88 HH TYR 88 3.862 -11.957 17.690 720 H ASN 89 H ASN 89 3.300 -5.659 15.634 721 HA ASN 89 HA ASN 89 4.812 -5.129 18.030 722 HB2 ASN 89 HB2 ASN 89 1.826 -5.713 17.891 723 HB3 ASN 89 HB3 ASN 89 2.684 -4.740 19.078 724 HD21 ASN 89 HD21 ASN 89 1.100 -4.782 16.059 725 HD22 ASN 89 HD22 ASN 89 1.258 -3.115 15.702 726 H GLU 90 H GLU 90 5.832 -6.835 19.021 727 HA GLU 90 HA GLU 90 5.094 -9.556 18.370 728 HB2 GLU 90 HB2 GLU 90 7.438 -8.755 18.343 729 HB3 GLU 90 HB3 GLU 90 7.367 -8.481 20.080 730 HG2 GLU 90 HG2 GLU 90 7.121 -10.878 20.485 731 HG3 GLU 90 HG3 GLU 90 7.054 -11.189 18.748 732 H LEU 91 H LEU 91 4.924 -7.566 21.303 733 HA LEU 91 HA LEU 91 4.491 -9.775 23.119 734 HB2 LEU 91 HB2 LEU 91 4.196 -6.780 23.553 735 HB3 LEU 91 HB3 LEU 91 4.139 -7.994 24.826 736 HG LEU 91 HG LEU 91 6.573 -7.369 23.092 737 HD11 LEU 91 HD11 LEU 91 6.076 -5.560 24.676 738 HD12 LEU 91 HD12 LEU 91 7.557 -6.407 25.113 739 HD13 LEU 91 HD13 LEU 91 6.070 -6.714 26.015 740 HD21 LEU 91 HD21 LEU 91 6.526 -9.742 23.757 741 HD22 LEU 91 HD22 LEU 91 6.333 -9.279 25.451 742 HD23 LEU 91 HD23 LEU 91 7.819 -8.876 24.586 743 H THR 92 H THR 92 2.456 -7.636 21.241 744 HA THR 92 HA THR 92 0.017 -8.633 22.602 745 HB THR 92 HB THR 92 -0.056 -6.261 22.672 746 HG1 THR 92 HG1 THR 92 -1.627 -6.561 20.364 747 HG21 THR 92 HG21 THR 92 1.673 -5.740 21.002 748 HG22 THR 92 HG22 THR 92 0.220 -4.775 20.732 749 HG23 THR 92 HG23 THR 92 0.557 -6.167 19.700 750 H GLY 93 H GLY 93 1.715 -8.639 19.555 751 HA2 GLY 93 HA2 GLY 93 1.586 -10.236 17.890 752 HA3 GLY 93 HA3 GLY 93 0.192 -10.935 18.688 753 H ASP 94 H ASP 94 1.109 -8.026 16.808 754 HA ASP 94 HA ASP 94 -0.743 -8.579 14.707 755 HB2 ASP 94 HB2 ASP 94 -2.162 -6.532 14.891 756 HB3 ASP 94 HB3 ASP 94 -2.411 -7.630 16.240 757 H TYR 95 H TYR 95 -0.743 -6.712 13.048 758 HA TYR 95 HA TYR 95 1.955 -5.488 12.930 759 HB2 TYR 95 HB2 TYR 95 0.088 -6.537 10.798 760 HB3 TYR 95 HB3 TYR 95 1.196 -5.243 10.366 761 HD1 TYR 95 HD1 TYR 95 1.125 -8.740 11.756 762 HD2 TYR 95 HD2 TYR 95 3.447 -5.723 9.810 763 HE1 TYR 95 HE1 TYR 95 2.935 -10.366 11.373 764 HE2 TYR 95 HE2 TYR 95 5.248 -7.340 9.430 765 HH TYR 95 HH TYR 95 6.052 -9.502 10.497 766 H VAL 96 H VAL 96 2.114 -3.338 13.160 767 HA VAL 96 HA VAL 96 -0.007 -1.444 12.629 768 HB VAL 96 HB VAL 96 2.999 -1.030 13.067 769 HG11 VAL 96 HG11 VAL 96 2.476 1.381 13.354 770 HG12 VAL 96 HG12 VAL 96 0.801 1.071 12.900 771 HG13 VAL 96 HG13 VAL 96 2.092 0.828 11.723 772 HG21 VAL 96 HG21 VAL 96 2.346 -0.203 15.307 773 HG22 VAL 96 HG22 VAL 96 1.829 -1.873 15.072 774 HG23 VAL 96 HG23 VAL 96 0.654 -0.561 14.953 775 H LEU 97 H LEU 97 -0.662 -1.233 10.554 776 HA LEU 97 HA LEU 97 1.235 -1.519 8.303 777 HB2 LEU 97 HB2 LEU 97 -0.790 -3.021 8.484 778 HB3 LEU 97 HB3 LEU 97 -1.808 -1.610 8.294 779 HG LEU 97 HG LEU 97 -0.834 -1.228 6.031 780 HD11 LEU 97 HD11 LEU 97 0.548 -2.960 4.962 781 HD12 LEU 97 HD12 LEU 97 0.608 -3.864 6.477 782 HD13 LEU 97 HD13 LEU 97 1.364 -2.273 6.368 783 HD21 LEU 97 HD21 LEU 97 -2.942 -2.473 6.255 784 HD22 LEU 97 HD22 LEU 97 -2.050 -3.990 6.415 785 HD23 LEU 97 HD23 LEU 97 -1.992 -3.084 4.900 786 H GLU 98 H GLU 98 1.961 0.381 7.550 787 HA GLU 98 HA GLU 98 0.298 2.836 7.808 788 HB2 GLU 98 HB2 GLU 98 3.169 2.262 8.419 789 HB3 GLU 98 HB3 GLU 98 2.886 3.795 7.618 790 HG2 GLU 98 HG2 GLU 98 1.307 3.063 10.084 791 HG3 GLU 98 HG3 GLU 98 2.958 3.668 10.229 792 H ILE 99 H ILE 99 -0.601 3.118 5.835 793 HA ILE 99 HA ILE 99 1.089 3.141 3.408 794 HB ILE 99 HB ILE 99 -1.931 3.182 3.819 795 HG12 ILE 99 HG12 ILE 99 -1.843 1.304 2.104 796 HG13 ILE 99 HG13 ILE 99 -0.088 1.414 2.135 797 HG21 ILE 99 HG21 ILE 99 -2.272 3.579 1.382 798 HG22 ILE 99 HG22 ILE 99 -0.550 3.927 1.211 799 HG23 ILE 99 HG23 ILE 99 -1.568 4.976 2.201 800 HD11 ILE 99 HD11 ILE 99 -0.919 -0.449 3.448 801 HD12 ILE 99 HD12 ILE 99 -1.864 0.646 4.456 802 HD13 ILE 99 HD13 ILE 99 -0.100 0.721 4.480 803 H THR 100 H THR 100 2.131 5.014 3.062 804 HA THR 100 HA THR 100 1.056 7.604 3.905 805 HB THR 100 HB THR 100 3.677 6.812 2.566 806 HG1 THR 100 HG1 THR 100 3.921 6.319 4.644 807 HG21 THR 100 HG21 THR 100 3.088 9.097 1.835 808 HG22 THR 100 HG22 THR 100 4.462 9.117 2.941 809 HG23 THR 100 HG23 THR 100 2.860 9.580 3.518 810 H ASP 101 H ASP 101 -0.622 8.137 2.611 811 HA ASP 101 HA ASP 101 -0.468 7.875 -0.320 812 HB2 ASP 101 HB2 ASP 101 -2.413 6.860 0.851 813 HB3 ASP 101 HB3 ASP 101 -2.833 8.431 1.534 814 H PHE 102 H PHE 102 -1.072 9.686 -1.662 815 HA PHE 102 HA PHE 102 -0.950 12.371 -0.407 816 HB2 PHE 102 HB2 PHE 102 0.278 13.183 -2.377 817 HB3 PHE 102 HB3 PHE 102 1.138 11.851 -1.624 818 HD1 PHE 102 HD1 PHE 102 0.389 9.418 -2.730 819 HD2 PHE 102 HD2 PHE 102 0.357 13.193 -4.724 820 HE1 PHE 102 HE1 PHE 102 0.531 8.277 -4.906 821 HE2 PHE 102 HE2 PHE 102 0.491 12.042 -6.894 822 HZ PHE 102 HZ PHE 102 0.577 9.585 -6.987 823 H SER 103 H SER 103 -2.799 13.465 -0.606 824 HA SER 103 HA SER 103 -4.309 13.531 -3.121 825 HB2 SER 103 HB2 SER 103 -5.592 12.702 -0.474 826 HB3 SER 103 HB3 SER 103 -6.500 13.141 -1.923 827 HG SER 103 HG SER 103 -4.829 10.905 -1.483 828 H GLU 104 H GLU 104 -5.017 15.587 -3.548 829 HA GLU 104 HA GLU 104 -4.416 17.832 -1.990 830 HB2 GLU 104 HB2 GLU 104 -6.441 17.460 -4.230 831 HB3 GLU 104 HB3 GLU 104 -6.190 19.028 -3.476 832 HG2 GLU 104 HG2 GLU 104 -3.918 19.122 -4.245 833 HG3 GLU 104 HG3 GLU 104 -3.983 17.460 -4.810 834 H ALA 105 H ALA 105 -5.980 19.413 -0.997 835 HA ALA 105 HA ALA 105 -7.390 18.428 1.158 836 HB1 ALA 105 HB1 ALA 105 -8.279 20.696 1.440 837 HB2 ALA 105 HB2 ALA 105 -7.870 21.082 -0.234 838 HB3 ALA 105 HB3 ALA 105 -6.588 20.751 0.933 839 H ASP 106 H ASP 106 -8.799 19.365 -2.007 840 HA ASP 106 HA ASP 106 -11.544 19.076 -1.213 841 HB2 ASP 106 HB2 ASP 106 -10.803 20.645 -2.982 842 HB3 ASP 106 HB3 ASP 106 -10.313 19.290 -3.993 843 H GLU 107 H GLU 107 -9.206 16.840 -2.563 844 HA GLU 107 HA GLU 107 -11.282 14.822 -3.225 845 HB2 GLU 107 HB2 GLU 107 -9.466 13.637 -4.444 846 HB3 GLU 107 HB3 GLU 107 -9.659 15.296 -5.014 847 HG2 GLU 107 HG2 GLU 107 -7.747 15.961 -3.526 848 HG3 GLU 107 HG3 GLU 107 -7.508 14.253 -3.148 849 H ALA 108 H ALA 108 -9.304 15.658 -0.664 850 HA ALA 108 HA ALA 108 -8.305 13.084 0.192 851 HB1 ALA 108 HB1 ALA 108 -7.603 14.264 2.227 852 HB2 ALA 108 HB2 ALA 108 -8.540 15.684 1.746 853 HB3 ALA 108 HB3 ALA 108 -7.152 15.177 0.781 854 H ASP 109 H ASP 109 -11.277 14.857 0.692 855 HA ASP 109 HA ASP 109 -12.342 13.860 3.053 856 HB2 ASP 109 HB2 ASP 109 -13.856 14.370 0.451 857 HB3 ASP 109 HB3 ASP 109 -14.569 14.308 2.064 858 H ASP 110 H ASP 110 -12.342 12.360 -0.157 859 HA ASP 110 HA ASP 110 -13.943 10.061 0.436 860 HB2 ASP 110 HB2 ASP 110 -11.910 10.447 -1.806 861 HB3 ASP 110 HB3 ASP 110 -13.203 9.245 -1.766 862 H LEU 111 H LEU 111 -10.460 10.657 0.418 863 HA LEU 111 HA LEU 111 -9.585 7.988 0.961 864 HB2 LEU 111 HB2 LEU 111 -8.313 10.724 1.151 865 HB3 LEU 111 HB3 LEU 111 -7.469 9.346 1.808 866 HG LEU 111 HG LEU 111 -6.614 9.826 -0.415 867 HD11 LEU 111 HD11 LEU 111 -8.290 7.303 -0.482 868 HD12 LEU 111 HD12 LEU 111 -6.682 7.473 0.226 869 HD13 LEU 111 HD13 LEU 111 -6.899 7.659 -1.513 870 HD21 LEU 111 HD21 LEU 111 -9.443 9.472 -1.467 871 HD22 LEU 111 HD22 LEU 111 -7.991 9.743 -2.438 872 HD23 LEU 111 HD23 LEU 111 -8.563 10.999 -1.344 873 H LYS 112 H LYS 112 -10.331 10.748 3.028 874 HA LYS 112 HA LYS 112 -9.708 9.536 5.526 875 HB2 LYS 112 HB2 LYS 112 -11.520 11.887 4.835 876 HB3 LYS 112 HB3 LYS 112 -11.077 11.435 6.482 877 HG2 LYS 112 HG2 LYS 112 -9.131 12.316 4.314 878 HG3 LYS 112 HG3 LYS 112 -9.745 13.336 5.619 879 HD2 LYS 112 HD2 LYS 112 -8.659 11.859 7.287 880 HD3 LYS 112 HD3 LYS 112 -8.062 10.818 5.989 881 HE2 LYS 112 HE2 LYS 112 -6.298 12.331 6.792 882 HE3 LYS 112 HE3 LYS 112 -6.703 12.685 5.115 883 HZ1 LYS 112 HZ1 LYS 112 -6.468 14.717 6.331 884 HZ2 LYS 112 HZ2 LYS 112 -7.570 14.218 7.508 885 HZ3 LYS 112 HZ3 LYS 112 -8.099 14.527 5.934 886 H GLU 113 H GLU 113 -12.650 9.731 3.555 887 HA GLU 113 HA GLU 113 -14.473 8.491 5.360 888 HB2 GLU 113 HB2 GLU 113 -15.023 9.835 3.253 889 HB3 GLU 113 HB3 GLU 113 -14.568 8.430 2.307 890 HG2 GLU 113 HG2 GLU 113 -16.801 8.385 4.360 891 HG3 GLU 113 HG3 GLU 113 -17.063 8.842 2.685 892 H LEU 114 H LEU 114 -12.291 7.222 2.860 893 HA LEU 114 HA LEU 114 -12.901 4.470 2.983 894 HB2 LEU 114 HB2 LEU 114 -11.482 5.590 1.240 895 HB3 LEU 114 HB3 LEU 114 -10.210 5.792 2.430 896 HG LEU 114 HG LEU 114 -10.016 3.291 2.601 897 HD11 LEU 114 HD11 LEU 114 -12.272 2.648 1.923 898 HD12 LEU 114 HD12 LEU 114 -11.070 1.860 0.905 899 HD13 LEU 114 HD13 LEU 114 -11.976 3.243 0.286 900 HD21 LEU 114 HD21 LEU 114 -8.485 4.542 1.143 901 HD22 LEU 114 HD22 LEU 114 -9.623 4.407 -0.200 902 HD23 LEU 114 HD23 LEU 114 -8.852 2.959 0.455 903 H TRP 115 H TRP 115 -10.639 6.459 4.888 904 HA TRP 115 HA TRP 115 -9.711 4.420 6.643 905 HB2 TRP 115 HB2 TRP 115 -8.425 6.444 6.582 906 HB3 TRP 115 HB3 TRP 115 -9.827 7.443 6.940 907 HD1 TRP 115 HD1 TRP 115 -9.636 8.399 9.327 908 HE1 TRP 115 HE1 TRP 115 -8.805 7.568 11.609 909 HE3 TRP 115 HE3 TRP 115 -8.030 3.712 7.989 910 HZ2 TRP 115 HZ2 TRP 115 -7.656 5.267 12.713 911 HZ3 TRP 115 HZ3 TRP 115 -7.088 2.257 9.737 912 HH2 TRP 115 HH2 TRP 115 -6.906 3.024 12.052 913 H ASP 116 H ASP 116 -12.531 6.632 6.849 914 HA ASP 116 HA ASP 116 -13.418 5.883 9.440 915 HB2 ASP 116 HB2 ASP 116 -15.001 7.017 7.103 916 HB3 ASP 116 HB3 ASP 116 -15.628 6.867 8.746 917 H SER 117 H SER 117 -13.869 4.436 6.287 918 HA SER 117 HA SER 117 -15.828 2.471 7.014 919 HB2 SER 117 HB2 SER 117 -13.811 2.480 4.719 920 HB3 SER 117 HB3 SER 117 -15.150 1.337 4.881 921 HG SER 117 HG SER 117 -15.479 4.161 4.778 922 H GLN 118 H GLN 118 -12.256 2.426 6.770 923 HA GLN 118 HA GLN 118 -11.955 -0.330 7.460 924 HB2 GLN 118 HB2 GLN 118 -10.097 1.961 6.960 925 HB3 GLN 118 HB3 GLN 118 -9.448 0.681 7.971 926 HG2 GLN 118 HG2 GLN 118 -8.846 0.343 5.629 927 HG3 GLN 118 HG3 GLN 118 -9.856 -0.978 6.217 928 HE21 GLN 118 HE21 GLN 118 -12.009 -1.124 5.442 929 HE22 GLN 118 HE22 GLN 118 -12.501 -0.344 3.987 930 H VAL 119 H VAL 119 -11.823 2.625 9.452 931 HA VAL 119 HA VAL 119 -10.799 1.297 11.777 932 HB VAL 119 HB VAL 119 -10.428 3.738 11.337 933 HG11 VAL 119 HG11 VAL 119 -12.678 4.372 10.544 934 HG12 VAL 119 HG12 VAL 119 -12.156 5.404 11.876 935 HG13 VAL 119 HG13 VAL 119 -13.328 4.117 12.165 936 HG21 VAL 119 HG21 VAL 119 -11.731 3.148 14.022 937 HG22 VAL 119 HG22 VAL 119 -10.628 4.482 13.678 938 HG23 VAL 119 HG23 VAL 119 -10.048 2.816 13.596 939 H SER 120 H SER 120 -14.047 2.161 10.629 940 HA SER 120 HA SER 120 -15.493 1.440 12.996 941 HB2 SER 120 HB2 SER 120 -17.500 1.487 11.537 942 HB3 SER 120 HB3 SER 120 -16.476 2.894 11.239 943 HG SER 120 HG SER 120 -16.561 2.271 9.239 944 H LYS 121 H LYS 121 -14.706 -0.316 9.989 945 HA LYS 121 HA LYS 121 -15.913 -2.797 10.689 946 HB2 LYS 121 HB2 LYS 121 -13.675 -2.162 8.725 947 HB3 LYS 121 HB3 LYS 121 -14.405 -3.761 8.877 948 HG2 LYS 121 HG2 LYS 121 -16.593 -2.838 8.222 949 HG3 LYS 121 HG3 LYS 121 -15.883 -1.223 8.101 950 HD2 LYS 121 HD2 LYS 121 -14.392 -2.029 6.284 951 HD3 LYS 121 HD3 LYS 121 -15.125 -3.635 6.398 952 HE2 LYS 121 HE2 LYS 121 -17.324 -2.640 5.779 953 HE3 LYS 121 HE3 LYS 121 -16.549 -1.061 5.622 954 HZ1 LYS 121 HZ1 LYS 121 -15.170 -1.972 3.861 955 HZ2 LYS 121 HZ2 LYS 121 -16.813 -2.125 3.497 956 HZ3 LYS 121 HZ3 LYS 121 -15.936 -3.472 4.016 957 H LEU 122 H LEU 122 -12.698 -1.457 11.342 958 HA LEU 122 HA LEU 122 -11.455 -3.879 12.181 959 HB2 LEU 122 HB2 LEU 122 -10.266 -1.781 11.408 960 HB3 LEU 122 HB3 LEU 122 -10.665 -1.027 12.932 961 HG LEU 122 HG LEU 122 -8.264 -1.957 12.605 962 HD11 LEU 122 HD11 LEU 122 -9.741 -2.808 15.108 963 HD12 LEU 122 HD12 LEU 122 -9.063 -1.209 14.791 964 HD13 LEU 122 HD13 LEU 122 -7.992 -2.602 14.938 965 HD21 LEU 122 HD21 LEU 122 -7.893 -4.324 13.078 966 HD22 LEU 122 HD22 LEU 122 -8.894 -4.129 11.642 967 HD23 LEU 122 HD23 LEU 122 -9.637 -4.604 13.172 968 H ARG 123 H ARG 123 -13.009 -1.209 14.049 969 HA ARG 123 HA ARG 123 -12.428 -2.350 16.594 970 HB2 ARG 123 HB2 ARG 123 -13.966 -0.652 17.550 971 HB3 ARG 123 HB3 ARG 123 -12.785 0.029 16.451 972 HG2 ARG 123 HG2 ARG 123 -14.735 1.224 15.949 973 HG3 ARG 123 HG3 ARG 123 -14.679 0.006 14.678 974 HD2 ARG 123 HD2 ARG 123 -16.970 0.374 15.654 975 HD3 ARG 123 HD3 ARG 123 -16.410 -1.298 15.763 976 HE ARG 123 HE ARG 123 -15.895 0.347 18.110 977 HH11 ARG 123 HH11 ARG 123 -18.100 -1.890 16.665 978 HH12 ARG 123 HH12 ARG 123 -18.811 -2.315 18.180 979 HH21 ARG 123 HH21 ARG 123 -16.773 -0.246 20.018 980 HH22 ARG 123 HH22 ARG 123 -18.061 -1.397 20.066 981 H ARG 124 H ARG 124 -15.148 -2.898 14.398 982 HA ARG 124 HA ARG 124 -16.763 -4.259 16.400 983 HB2 ARG 124 HB2 ARG 124 -18.324 -4.788 14.577 984 HB3 ARG 124 HB3 ARG 124 -17.894 -3.083 14.575 985 HG2 ARG 124 HG2 ARG 124 -16.387 -3.432 12.677 986 HG3 ARG 124 HG3 ARG 124 -16.724 -5.164 12.698 987 HD2 ARG 124 HD2 ARG 124 -18.765 -2.977 12.139 988 HD3 ARG 124 HD3 ARG 124 -17.973 -3.974 10.913 989 HE ARG 124 HE ARG 124 -19.730 -5.093 13.014 990 HH11 ARG 124 HH11 ARG 124 -18.810 -4.991 9.675 991 HH12 ARG 124 HH12 ARG 124 -19.916 -6.240 9.238 992 HH21 ARG 124 HH21 ARG 124 -21.111 -6.678 12.432 993 HH22 ARG 124 HH22 ARG 124 -21.207 -7.192 10.786 994 H THR 125 H THR 125 -14.465 -5.283 13.867 995 HA THR 125 HA THR 125 -15.084 -8.121 14.261 996 HB THR 125 HB THR 125 -14.543 -7.259 11.949 997 HG1 THR 125 HG1 THR 125 -12.689 -9.239 12.857 998 HG21 THR 125 HG21 THR 125 -12.666 -5.718 12.525 999 HG22 THR 125 HG22 THR 125 -12.211 -6.893 11.291 1000 HG23 THR 125 HG23 THR 125 -11.673 -7.115 12.956 1001 H CYS 126 H CYS 126 -12.933 -5.821 15.607 1002 HA CYS 126 HA CYS 126 -11.110 -5.795 16.906 1003 HB2 CYS 126 HB2 CYS 126 -12.050 -7.556 18.298 1004 HB3 CYS 126 HB3 CYS 126 -11.470 -8.791 17.188 1005 HG CYS 126 HG CYS 126 -8.780 -7.292 17.871 1006 H GLY 127 H GLY 127 -10.836 -8.685 14.853 1007 HA2 GLY 127 HA2 GLY 127 -8.927 -7.518 13.092 1008 HA3 GLY 127 HA3 GLY 127 -8.125 -8.611 14.219 1009 H PHE 128 H PHE 128 -7.545 -10.112 12.677 1010 HA PHE 128 HA PHE 128 -7.615 -12.001 11.471 1011 HB2 PHE 128 HB2 PHE 128 -10.397 -12.309 12.664 1012 HB3 PHE 128 HB3 PHE 128 -9.553 -13.573 11.776 1013 HD1 PHE 128 HD1 PHE 128 -7.466 -14.606 12.727 1014 HD2 PHE 128 HD2 PHE 128 -9.815 -11.820 14.973 1015 HE1 PHE 128 HE1 PHE 128 -6.335 -15.314 14.796 1016 HE2 PHE 128 HE2 PHE 128 -8.683 -12.538 17.033 1017 HZ PHE 128 HZ PHE 128 -6.940 -14.279 16.952 1018 H LEU 129 H LEU 129 -8.261 -9.579 10.143 1019 HA LEU 129 HA LEU 129 -10.163 -10.173 8.028 1020 HB2 LEU 129 HB2 LEU 129 -8.021 -8.014 8.217 1021 HB3 LEU 129 HB3 LEU 129 -9.269 -8.100 6.978 1022 HG LEU 129 HG LEU 129 -9.745 -7.645 9.960 1023 HD11 LEU 129 HD11 LEU 129 -8.766 -5.680 8.872 1024 HD12 LEU 129 HD12 LEU 129 -10.444 -5.380 9.317 1025 HD13 LEU 129 HD13 LEU 129 -10.025 -5.711 7.633 1026 HD21 LEU 129 HD21 LEU 129 -11.602 -8.916 8.988 1027 HD22 LEU 129 HD22 LEU 129 -11.766 -7.734 7.686 1028 HD23 LEU 129 HD23 LEU 129 -12.112 -7.268 9.353 1029 H GLU 130 H GLU 130 -9.654 -11.892 6.765 1030 HA GLU 130 HA GLU 130 -6.854 -12.309 5.843 1031 HB2 GLU 130 HB2 GLU 130 -7.606 -13.819 7.734 1032 HB3 GLU 130 HB3 GLU 130 -8.848 -14.467 6.672 1033 HG2 GLU 130 HG2 GLU 130 -7.165 -15.405 5.200 1034 HG3 GLU 130 HG3 GLU 130 -5.869 -14.637 6.121 1035 H HIS 131 H HIS 131 -6.628 -13.599 3.884 1036 HA HIS 131 HA HIS 131 -7.001 -14.294 1.768 1037 HB2 HIS 131 HB2 HIS 131 -9.917 -14.391 2.641 1038 HB3 HIS 131 HB3 HIS 131 -9.352 -14.963 1.078 1039 HD1 HIS 131 HD1 HIS 131 -10.150 -16.214 4.309 1040 HD2 HIS 131 HD2 HIS 131 -7.207 -17.072 1.508 1041 HE1 HIS 131 HE1 HIS 131 -9.383 -18.537 4.845 1042 HE2 HIS 131 HE2 HIS 131 -7.444 -18.922 3.293 1043 H HIS 132 H HIS 132 -8.778 -13.701 -0.234 1044 HA HIS 132 HA HIS 132 -8.457 -11.074 -1.060 1045 HB2 HIS 132 HB2 HIS 132 -10.358 -11.537 -2.660 1046 HB3 HIS 132 HB3 HIS 132 -9.136 -12.797 -2.635 1047 HD1 HIS 132 HD1 HIS 132 -12.733 -12.184 -1.980 1048 HD2 HIS 132 HD2 HIS 132 -10.003 -15.282 -1.479 1049 HE1 HIS 132 HE1 HIS 132 -14.114 -14.226 -1.514 1050 HE2 HIS 132 HE2 HIS 132 -12.447 -16.064 -1.118 1051 H HIS 133 H HIS 133 -9.078 -9.273 -0.058 1052 HA HIS 133 HA HIS 133 -11.063 -9.304 2.040 1053 HB2 HIS 133 HB2 HIS 133 -9.260 -7.086 0.995 1054 HB3 HIS 133 HB3 HIS 133 -10.302 -6.922 2.408 1055 HD1 HIS 133 HD1 HIS 133 -7.000 -8.199 1.354 1056 HD2 HIS 133 HD2 HIS 133 -9.525 -8.644 4.623 1057 HE1 HIS 133 HE1 HIS 133 -5.574 -9.180 3.169 1058 HE2 HIS 133 HE2 HIS 133 -7.168 -9.619 5.055 1059 H HIS 134 H HIS 134 -11.129 -8.397 -1.310 1060 HA HIS 134 HA HIS 134 -13.902 -7.465 -1.039 1061 HB2 HIS 134 HB2 HIS 134 -13.508 -5.479 -2.509 1062 HB3 HIS 134 HB3 HIS 134 -12.663 -5.367 -0.971 1063 HD1 HIS 134 HD1 HIS 134 -12.060 -5.571 -4.651 1064 HD2 HIS 134 HD2 HIS 134 -9.818 -5.488 -1.148 1065 HE1 HIS 134 HE1 HIS 134 -9.705 -5.093 -5.374 1066 HE2 HIS 134 HE2 HIS 134 -8.389 -4.953 -3.240 1067 H HIS 135 H HIS 135 -15.028 -7.269 -3.115 1068 HA HIS 135 HA HIS 135 -13.971 -8.582 -5.481 1069 HB2 HIS 135 HB2 HIS 135 -15.872 -10.253 -5.578 1070 HB3 HIS 135 HB3 HIS 135 -14.713 -10.569 -4.298 1071 HD1 HIS 135 HD1 HIS 135 -15.547 -9.662 -1.833 1072 HD2 HIS 135 HD2 HIS 135 -18.477 -10.243 -4.722 1073 HE1 HIS 135 HE1 HIS 135 -17.713 -9.758 -0.570 1074 HE2 HIS 135 HE2 HIS 135 -19.440 -10.300 -2.316 1075 H HIS 136 H HIS 136 -14.407 -6.960 -6.856 1076 HA HIS 136 HA HIS 136 -15.387 -5.273 -8.013 1077 HB2 HIS 136 HB2 HIS 136 -17.985 -6.751 -7.430 1078 HB3 HIS 136 HB3 HIS 136 -17.768 -5.518 -8.671 1079 HD1 HIS 136 HD1 HIS 136 -17.514 -9.104 -8.099 1080 HD2 HIS 136 HD2 HIS 136 -15.939 -6.387 -10.812 1081 HE1 HIS 136 HE1 HIS 136 -16.665 -10.489 -10.004 1082 HE2 HIS 136 HE2 HIS 136 -15.572 -8.839 -11.557 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -5.900 23.836 -6.827 2 H2 MET 1 H2 MET 1 -5.178 24.163 -5.337 3 H3 MET 1 H3 MET 1 -5.780 22.619 -5.657 4 HA MET 1 HA MET 1 -4.149 22.327 -7.422 5 HB2 MET 1 HB2 MET 1 -3.019 24.972 -6.412 6 HB3 MET 1 HB3 MET 1 -2.307 23.963 -7.668 7 HG2 MET 1 HG2 MET 1 -4.207 24.392 -9.132 8 HG3 MET 1 HG3 MET 1 -5.008 25.318 -7.860 9 HE1 MET 1 HE1 MET 1 -4.100 28.152 -10.365 10 HE2 MET 1 HE2 MET 1 -5.363 27.445 -9.358 11 HE3 MET 1 HE3 MET 1 -4.703 26.532 -10.717 12 H LYS 2 H LYS 2 -4.212 23.099 -4.063 13 HA LYS 2 HA LYS 2 -1.588 22.001 -3.409 14 HB2 LYS 2 HB2 LYS 2 -3.854 22.958 -1.602 15 HB3 LYS 2 HB3 LYS 2 -2.239 22.504 -1.052 16 HG2 LYS 2 HG2 LYS 2 -1.273 24.357 -2.384 17 HG3 LYS 2 HG3 LYS 2 -2.894 24.818 -2.914 18 HD2 LYS 2 HD2 LYS 2 -3.522 25.313 -0.575 19 HD3 LYS 2 HD3 LYS 2 -1.917 24.820 -0.026 20 HE2 LYS 2 HE2 LYS 2 -0.918 26.674 -1.345 21 HE3 LYS 2 HE3 LYS 2 -2.531 27.164 -1.868 22 HZ1 LYS 2 HZ1 LYS 2 -3.095 27.621 0.423 23 HZ2 LYS 2 HZ2 LYS 2 -1.723 28.500 -0.028 24 HZ3 LYS 2 HZ3 LYS 2 -1.568 27.120 0.937 25 H LYS 3 H LYS 3 -1.187 19.920 -2.882 26 HA LYS 3 HA LYS 3 -3.374 17.996 -2.450 27 HB2 LYS 3 HB2 LYS 3 -0.380 17.473 -2.737 28 HB3 LYS 3 HB3 LYS 3 -1.656 16.256 -2.734 29 HG2 LYS 3 HG2 LYS 3 -1.112 18.350 -4.864 30 HG3 LYS 3 HG3 LYS 3 -0.905 16.600 -5.003 31 HD2 LYS 3 HD2 LYS 3 -3.378 16.320 -4.724 32 HD3 LYS 3 HD3 LYS 3 -3.550 18.077 -4.663 33 HE2 LYS 3 HE2 LYS 3 -4.117 17.320 -6.883 34 HE3 LYS 3 HE3 LYS 3 -2.585 18.192 -6.975 35 HZ1 LYS 3 HZ1 LYS 3 -2.565 16.148 -8.271 36 HZ2 LYS 3 HZ2 LYS 3 -2.869 15.238 -6.875 37 HZ3 LYS 3 HZ3 LYS 3 -1.424 16.090 -7.024 38 H GLU 4 H GLU 4 -2.681 16.187 -0.758 39 HA GLU 4 HA GLU 4 -1.440 17.289 1.669 40 HB2 GLU 4 HB2 GLU 4 -3.819 17.869 1.915 41 HB3 GLU 4 HB3 GLU 4 -4.292 16.213 1.547 42 HG2 GLU 4 HG2 GLU 4 -3.184 15.448 3.635 43 HG3 GLU 4 HG3 GLU 4 -2.752 17.117 4.007 44 H LYS 5 H LYS 5 0.081 15.807 2.115 45 HA LYS 5 HA LYS 5 -0.111 13.004 1.565 46 HB2 LYS 5 HB2 LYS 5 2.030 14.255 1.727 47 HB3 LYS 5 HB3 LYS 5 1.763 14.515 3.438 48 HG2 LYS 5 HG2 LYS 5 1.861 11.681 2.398 49 HG3 LYS 5 HG3 LYS 5 3.371 12.577 2.538 50 HD2 LYS 5 HD2 LYS 5 1.422 11.987 4.812 51 HD3 LYS 5 HD3 LYS 5 2.972 11.186 4.536 52 HE2 LYS 5 HE2 LYS 5 4.125 13.375 4.863 53 HE3 LYS 5 HE3 LYS 5 2.562 14.124 5.198 54 HZ1 LYS 5 HZ1 LYS 5 3.804 11.955 6.779 55 HZ2 LYS 5 HZ2 LYS 5 2.335 12.718 7.120 56 HZ3 LYS 5 HZ3 LYS 5 3.777 13.589 7.195 57 H ILE 6 H ILE 6 -1.010 11.440 2.794 58 HA ILE 6 HA ILE 6 -1.654 11.870 5.633 59 HB ILE 6 HB ILE 6 -3.891 10.909 5.460 60 HG12 ILE 6 HG12 ILE 6 -3.525 10.750 2.429 61 HG13 ILE 6 HG13 ILE 6 -3.486 9.367 3.521 62 HG21 ILE 6 HG21 ILE 6 -3.591 13.148 3.422 63 HG22 ILE 6 HG22 ILE 6 -3.728 13.347 5.169 64 HG23 ILE 6 HG23 ILE 6 -5.091 12.705 4.251 65 HD11 ILE 6 HD11 ILE 6 -5.863 11.148 3.006 66 HD12 ILE 6 HD12 ILE 6 -5.826 9.773 4.114 67 HD13 ILE 6 HD13 ILE 6 -5.608 9.519 2.382 68 H HIS 7 H HIS 7 -0.883 10.213 6.819 69 HA HIS 7 HA HIS 7 -0.333 7.615 5.523 70 HB2 HIS 7 HB2 HIS 7 1.240 7.199 7.382 71 HB3 HIS 7 HB3 HIS 7 1.643 8.662 6.504 72 HD1 HIS 7 HD1 HIS 7 0.615 7.417 9.854 73 HD2 HIS 7 HD2 HIS 7 1.375 11.052 7.992 74 HE1 HIS 7 HE1 HIS 7 0.839 9.086 11.713 75 HE2 HIS 7 HE2 HIS 7 1.514 11.224 10.567 76 H LEU 8 H LEU 8 -1.661 5.975 5.938 77 HA LEU 8 HA LEU 8 -3.714 6.238 8.052 78 HB2 LEU 8 HB2 LEU 8 -3.789 4.458 5.577 79 HB3 LEU 8 HB3 LEU 8 -5.101 4.739 6.704 80 HG LEU 8 HG LEU 8 -5.699 6.002 4.836 81 HD11 LEU 8 HD11 LEU 8 -5.605 8.352 5.464 82 HD12 LEU 8 HD12 LEU 8 -4.325 8.009 6.630 83 HD13 LEU 8 HD13 LEU 8 -5.938 7.326 6.859 84 HD21 LEU 8 HD21 LEU 8 -4.235 7.466 3.534 85 HD22 LEU 8 HD22 LEU 8 -3.624 5.814 3.564 86 HD23 LEU 8 HD23 LEU 8 -2.867 7.051 4.573 87 H GLU 9 H GLU 9 -4.123 4.525 9.480 88 HA GLU 9 HA GLU 9 -2.132 2.310 9.544 89 HB2 GLU 9 HB2 GLU 9 -1.532 4.020 11.188 90 HB3 GLU 9 HB3 GLU 9 -3.163 4.025 11.851 91 HG2 GLU 9 HG2 GLU 9 -2.813 1.666 12.597 92 HG3 GLU 9 HG3 GLU 9 -1.152 1.763 12.014 93 H TYR 10 H TYR 10 -2.945 0.345 9.681 94 HA TYR 10 HA TYR 10 -5.677 -0.187 10.707 95 HB2 TYR 10 HB2 TYR 10 -4.416 -1.785 8.432 96 HB3 TYR 10 HB3 TYR 10 -6.108 -1.716 8.910 97 HD1 TYR 10 HD1 TYR 10 -7.471 0.386 8.351 98 HD2 TYR 10 HD2 TYR 10 -3.515 -0.228 6.830 99 HE1 TYR 10 HE1 TYR 10 -7.851 2.123 6.648 100 HE2 TYR 10 HE2 TYR 10 -3.902 1.500 5.127 101 HH TYR 10 HH TYR 10 -5.800 2.572 3.980 102 H LEU 11 H LEU 11 -5.695 -1.794 12.275 103 HA LEU 11 HA LEU 11 -3.157 -3.161 12.903 104 HB2 LEU 11 HB2 LEU 11 -5.643 -2.678 14.609 105 HB3 LEU 11 HB3 LEU 11 -4.303 -3.691 15.114 106 HG LEU 11 HG LEU 11 -2.806 -1.623 14.920 107 HD11 LEU 11 HD11 LEU 11 -3.871 0.598 15.045 108 HD12 LEU 11 HD12 LEU 11 -5.451 -0.140 14.760 109 HD13 LEU 11 HD13 LEU 11 -4.207 -0.202 13.508 110 HD21 LEU 11 HD21 LEU 11 -5.027 -1.545 16.992 111 HD22 LEU 11 HD22 LEU 11 -3.461 -0.738 17.123 112 HD23 LEU 11 HD23 LEU 11 -3.543 -2.499 17.094 113 H LEU 12 H LEU 12 -3.087 -5.017 11.726 114 HA LEU 12 HA LEU 12 -5.483 -6.579 11.173 115 HB2 LEU 12 HB2 LEU 12 -2.632 -6.654 10.178 116 HB3 LEU 12 HB3 LEU 12 -3.603 -8.105 10.013 117 HG LEU 12 HG LEU 12 -3.668 -6.831 7.942 118 HD11 LEU 12 HD11 LEU 12 -6.094 -6.649 7.630 119 HD12 LEU 12 HD12 LEU 12 -6.336 -6.701 9.380 120 HD13 LEU 12 HD13 LEU 12 -5.665 -8.100 8.538 121 HD21 LEU 12 HD21 LEU 12 -3.206 -4.585 8.815 122 HD22 LEU 12 HD22 LEU 12 -4.814 -4.514 9.542 123 HD23 LEU 12 HD23 LEU 12 -4.637 -4.581 7.785 124 H ASN 13 H ASN 13 -6.242 -7.890 12.663 125 HA ASN 13 HA ASN 13 -4.617 -9.386 14.523 126 HB2 ASN 13 HB2 ASN 13 -7.596 -9.566 13.886 127 HB3 ASN 13 HB3 ASN 13 -6.795 -10.418 15.202 128 HD21 ASN 13 HD21 ASN 13 -8.168 -9.408 16.692 129 HD22 ASN 13 HD22 ASN 13 -7.972 -7.758 17.153 130 H ALA 14 H ALA 14 -3.247 -10.615 13.192 131 HA ALA 14 HA ALA 14 -4.389 -12.883 11.737 132 HB1 ALA 14 HB1 ALA 14 -2.811 -10.754 10.235 133 HB2 ALA 14 HB2 ALA 14 -4.551 -11.024 10.106 134 HB3 ALA 14 HB3 ALA 14 -3.427 -12.268 9.562 135 H THR 15 H THR 15 -1.989 -11.734 13.689 136 HA THR 15 HA THR 15 0.093 -12.352 14.346 137 HB THR 15 HB THR 15 -0.173 -15.041 12.935 138 HG1 THR 15 HG1 THR 15 -2.172 -14.869 13.829 139 HG21 THR 15 HG21 THR 15 0.859 -14.285 15.701 140 HG22 THR 15 HG22 THR 15 1.865 -14.653 14.298 141 HG23 THR 15 HG23 THR 15 0.853 -15.912 15.013 142 H SER 16 H SER 16 1.935 -14.250 12.599 143 HA SER 16 HA SER 16 3.253 -12.181 11.163 144 HB2 SER 16 HB2 SER 16 3.708 -15.188 11.105 145 HB3 SER 16 HB3 SER 16 4.785 -13.996 10.374 146 HG SER 16 HG SER 16 5.436 -13.351 12.306 147 H LYS 17 H LYS 17 1.538 -11.423 9.759 148 HA LYS 17 HA LYS 17 1.553 -12.804 7.136 149 HB2 LYS 17 HB2 LYS 17 -0.698 -11.062 8.251 150 HB3 LYS 17 HB3 LYS 17 -0.655 -11.780 6.645 151 HG2 LYS 17 HG2 LYS 17 -0.805 -13.312 9.261 152 HG3 LYS 17 HG3 LYS 17 -2.160 -12.979 8.178 153 HD2 LYS 17 HD2 LYS 17 -0.886 -14.293 6.388 154 HD3 LYS 17 HD3 LYS 17 0.246 -14.769 7.664 155 HE2 LYS 17 HE2 LYS 17 -2.738 -15.363 7.576 156 HE3 LYS 17 HE3 LYS 17 -1.429 -16.519 7.328 157 HZ1 LYS 17 HZ1 LYS 17 -2.420 -16.605 9.564 158 HZ2 LYS 17 HZ2 LYS 17 -1.879 -15.030 9.862 159 HZ3 LYS 17 HZ3 LYS 17 -0.768 -16.275 9.597 160 H ASN 18 H ASN 18 3.671 -11.317 7.424 161 HA ASN 18 HA ASN 18 3.416 -8.610 6.515 162 HB2 ASN 18 HB2 ASN 18 5.832 -8.909 5.727 163 HB3 ASN 18 HB3 ASN 18 5.538 -9.200 7.437 164 HD21 ASN 18 HD21 ASN 18 5.754 -11.281 8.254 165 HD22 ASN 18 HD22 ASN 18 6.459 -12.573 7.349 166 H ILE 19 H ILE 19 3.184 -11.669 4.979 167 HA ILE 19 HA ILE 19 3.878 -11.292 2.327 168 HB ILE 19 HB ILE 19 1.674 -13.139 3.377 169 HG12 ILE 19 HG12 ILE 19 3.661 -14.909 3.113 170 HG13 ILE 19 HG13 ILE 19 4.695 -13.500 3.282 171 HG21 ILE 19 HG21 ILE 19 3.242 -13.307 0.782 172 HG22 ILE 19 HG22 ILE 19 1.530 -12.915 0.952 173 HG23 ILE 19 HG23 ILE 19 2.107 -14.528 1.369 174 HD11 ILE 19 HD11 ILE 19 3.714 -13.068 5.486 175 HD12 ILE 19 HD12 ILE 19 4.430 -14.677 5.375 176 HD13 ILE 19 HD13 ILE 19 2.678 -14.487 5.296 177 H LEU 20 H LEU 20 1.011 -10.170 3.982 178 HA LEU 20 HA LEU 20 -1.022 -9.923 2.186 179 HB2 LEU 20 HB2 LEU 20 -0.079 -7.837 4.191 180 HB3 LEU 20 HB3 LEU 20 -1.634 -7.754 3.373 181 HG LEU 20 HG LEU 20 -0.791 -9.983 5.272 182 HD11 LEU 20 HD11 LEU 20 -2.653 -7.637 5.779 183 HD12 LEU 20 HD12 LEU 20 -1.051 -7.875 6.487 184 HD13 LEU 20 HD13 LEU 20 -2.362 -8.988 6.882 185 HD21 LEU 20 HD21 LEU 20 -2.405 -10.770 3.599 186 HD22 LEU 20 HD22 LEU 20 -3.492 -9.433 3.983 187 HD23 LEU 20 HD23 LEU 20 -3.158 -10.677 5.191 188 H TRP 21 H TRP 21 1.297 -7.222 2.673 189 HA TRP 21 HA TRP 21 0.907 -6.367 -0.119 190 HB2 TRP 21 HB2 TRP 21 1.967 -4.894 2.303 191 HB3 TRP 21 HB3 TRP 21 2.080 -4.244 0.671 192 HD1 TRP 21 HD1 TRP 21 -0.543 -5.018 3.408 193 HE1 TRP 21 HE1 TRP 21 -2.680 -3.698 2.853 194 HE3 TRP 21 HE3 TRP 21 0.725 -3.293 -1.248 195 HZ2 TRP 21 HZ2 TRP 21 -3.712 -2.150 0.738 196 HZ3 TRP 21 HZ3 TRP 21 -0.900 -1.897 -2.473 197 HH2 TRP 21 HH2 TRP 21 -3.071 -1.339 -1.498 198 H SER 22 H SER 22 3.340 -7.862 1.916 199 HA SER 22 HA SER 22 5.707 -7.057 0.591 200 HB2 SER 22 HB2 SER 22 5.735 -8.319 2.719 201 HB3 SER 22 HB3 SER 22 5.151 -9.759 1.889 202 HG SER 22 HG SER 22 7.494 -9.578 2.262 203 H ALA 23 H ALA 23 3.206 -9.129 -0.496 204 HA ALA 23 HA ALA 23 4.299 -10.704 -2.509 205 HB1 ALA 23 HB1 ALA 23 1.951 -10.789 -1.754 206 HB2 ALA 23 HB2 ALA 23 2.054 -10.647 -3.511 207 HB3 ALA 23 HB3 ALA 23 1.646 -9.235 -2.533 208 H ILE 24 H ILE 24 3.648 -7.204 -2.587 209 HA ILE 24 HA ILE 24 3.686 -6.903 -5.423 210 HB ILE 24 HB ILE 24 3.658 -4.477 -5.063 211 HG12 ILE 24 HG12 ILE 24 4.407 -5.168 -2.193 212 HG13 ILE 24 HG13 ILE 24 5.260 -4.110 -3.301 213 HG21 ILE 24 HG21 ILE 24 1.587 -4.309 -3.731 214 HG22 ILE 24 HG22 ILE 24 1.867 -5.922 -3.073 215 HG23 ILE 24 HG23 ILE 24 1.548 -5.716 -4.799 216 HD11 ILE 24 HD11 ILE 24 3.386 -2.484 -3.103 217 HD12 ILE 24 HD12 ILE 24 4.203 -2.826 -1.577 218 HD13 ILE 24 HD13 ILE 24 2.637 -3.558 -1.913 219 H SER 25 H SER 25 6.294 -7.319 -3.244 220 HA SER 25 HA SER 25 8.316 -5.795 -4.600 221 HB2 SER 25 HB2 SER 25 9.906 -6.929 -3.168 222 HB3 SER 25 HB3 SER 25 8.464 -6.605 -2.206 223 HG SER 25 HG SER 25 8.161 -8.679 -1.971 224 H THR 26 H THR 26 7.106 -9.103 -4.899 225 HA THR 26 HA THR 26 9.069 -9.775 -7.011 226 HB THR 26 HB THR 26 8.198 -12.115 -6.805 227 HG1 THR 26 HG1 THR 26 6.887 -11.873 -4.465 228 HG21 THR 26 HG21 THR 26 9.119 -12.617 -4.565 229 HG22 THR 26 HG22 THR 26 9.073 -10.901 -4.155 230 HG23 THR 26 HG23 THR 26 10.137 -11.475 -5.445 231 HA PRO 27 HA PRO 27 6.050 -9.550 -10.414 232 HB2 PRO 27 HB2 PRO 27 6.827 -11.895 -11.773 233 HB3 PRO 27 HB3 PRO 27 7.579 -10.306 -11.974 234 HG2 PRO 27 HG2 PRO 27 8.430 -12.598 -10.192 235 HG3 PRO 27 HG3 PRO 27 9.423 -11.570 -11.255 236 HD2 PRO 27 HD2 PRO 27 9.383 -11.117 -8.643 237 HD3 PRO 27 HD3 PRO 27 9.317 -9.736 -9.763 238 H THR 28 H THR 28 6.554 -13.010 -9.504 239 HA THR 28 HA THR 28 4.007 -13.961 -9.973 240 HB THR 28 HB THR 28 5.885 -15.465 -9.635 241 HG1 THR 28 HG1 THR 28 4.257 -16.745 -9.186 242 HG21 THR 28 HG21 THR 28 6.826 -15.957 -7.400 243 HG22 THR 28 HG22 THR 28 5.842 -14.674 -6.695 244 HG23 THR 28 HG23 THR 28 7.112 -14.272 -7.854 245 H GLY 29 H GLY 29 5.152 -12.318 -7.051 246 HA2 GLY 29 HA2 GLY 29 2.838 -12.887 -5.418 247 HA3 GLY 29 HA3 GLY 29 4.106 -11.722 -5.077 248 H LEU 30 H LEU 30 3.868 -10.085 -7.375 249 HA LEU 30 HA LEU 30 1.733 -8.354 -6.670 250 HB2 LEU 30 HB2 LEU 30 4.052 -8.133 -8.236 251 HB3 LEU 30 HB3 LEU 30 2.771 -7.905 -9.406 252 HG LEU 30 HG LEU 30 3.038 -6.263 -6.866 253 HD11 LEU 30 HD11 LEU 30 3.902 -5.505 -9.667 254 HD12 LEU 30 HD12 LEU 30 4.971 -5.857 -8.307 255 HD13 LEU 30 HD13 LEU 30 3.914 -4.448 -8.250 256 HD21 LEU 30 HD21 LEU 30 1.436 -4.733 -7.911 257 HD22 LEU 30 HD22 LEU 30 0.744 -6.342 -7.717 258 HD23 LEU 30 HD23 LEU 30 1.301 -5.810 -9.307 259 H GLU 31 H GLU 31 2.125 -10.462 -9.564 260 HA GLU 31 HA GLU 31 -0.442 -9.908 -10.676 261 HB2 GLU 31 HB2 GLU 31 -0.046 -11.813 -12.185 262 HB3 GLU 31 HB3 GLU 31 1.374 -10.774 -12.081 263 HG2 GLU 31 HG2 GLU 31 2.446 -12.356 -10.548 264 HG3 GLU 31 HG3 GLU 31 1.019 -13.397 -10.591 265 H ASP 32 H ASP 32 0.463 -11.945 -8.060 266 HA ASP 32 HA ASP 32 -1.519 -13.917 -8.009 267 HB2 ASP 32 HB2 ASP 32 0.493 -13.705 -6.482 268 HB3 ASP 32 HB3 ASP 32 -0.335 -12.417 -5.626 269 H TRP 33 H TRP 33 -1.771 -10.470 -7.371 270 HA TRP 33 HA TRP 33 -4.671 -10.653 -7.021 271 HB2 TRP 33 HB2 TRP 33 -4.680 -9.300 -4.960 272 HB3 TRP 33 HB3 TRP 33 -3.809 -10.805 -4.719 273 HD1 TRP 33 HD1 TRP 33 -0.881 -9.959 -5.669 274 HE1 TRP 33 HE1 TRP 33 0.476 -8.293 -4.269 275 HE3 TRP 33 HE3 TRP 33 -4.711 -7.733 -3.128 276 HZ2 TRP 33 HZ2 TRP 33 -0.002 -6.294 -2.329 277 HZ3 TRP 33 HZ3 TRP 33 -4.181 -5.959 -1.508 278 HH2 TRP 33 HH2 TRP 33 -1.873 -5.255 -1.116 279 H PHE 34 H PHE 34 -2.410 -9.366 -8.843 280 HA PHE 34 HA PHE 34 -4.028 -7.042 -9.552 281 HB2 PHE 34 HB2 PHE 34 -2.272 -6.265 -7.828 282 HB3 PHE 34 HB3 PHE 34 -1.048 -6.637 -9.027 283 HD1 PHE 34 HD2 PHE 34 -4.133 -4.563 -8.509 284 HD2 PHE 34 HD1 PHE 34 -0.440 -4.977 -10.631 285 HE1 PHE 34 HE2 PHE 34 -4.428 -2.322 -9.478 286 HE2 PHE 34 HE1 PHE 34 -0.743 -2.734 -11.591 287 HZ PHE 34 HZ PHE 34 -2.739 -1.405 -11.019 288 H ALA 35 H ALA 35 -4.385 -7.481 -11.661 289 HA ALA 35 HA ALA 35 -4.144 -7.808 -13.871 290 HB1 ALA 35 HB1 ALA 35 -2.252 -6.209 -13.790 291 HB2 ALA 35 HB2 ALA 35 -2.023 -7.450 -15.023 292 HB3 ALA 35 HB3 ALA 35 -1.141 -7.552 -13.496 293 H ASP 36 H ASP 36 -3.302 -9.335 -15.552 294 HA ASP 36 HA ASP 36 -3.637 -12.042 -14.659 295 HB2 ASP 36 HB2 ASP 36 -2.928 -10.901 -17.404 296 HB3 ASP 36 HB3 ASP 36 -3.402 -12.577 -17.097 297 H LYS 37 H LYS 37 -0.945 -10.248 -16.087 298 HA LYS 37 HA LYS 37 1.042 -12.099 -14.970 299 HB2 LYS 37 HB2 LYS 37 0.722 -13.058 -17.181 300 HB3 LYS 37 HB3 LYS 37 0.710 -11.469 -17.936 301 HG2 LYS 37 HG2 LYS 37 2.787 -12.668 -18.429 302 HG3 LYS 37 HG3 LYS 37 3.092 -11.196 -17.521 303 HD2 LYS 37 HD2 LYS 37 4.553 -12.963 -16.714 304 HD3 LYS 37 HD3 LYS 37 3.396 -12.546 -15.454 305 HE2 LYS 37 HE2 LYS 37 2.975 -14.908 -17.310 306 HE3 LYS 37 HE3 LYS 37 3.905 -15.040 -15.822 307 HZ1 LYS 37 HZ1 LYS 37 1.908 -14.219 -14.638 308 HZ2 LYS 37 HZ2 LYS 37 1.705 -15.724 -15.376 309 HZ3 LYS 37 HZ3 LYS 37 1.037 -14.343 -16.079 310 H VAL 38 H VAL 38 2.582 -10.849 -14.032 311 HA VAL 38 HA VAL 38 3.107 -8.183 -15.210 312 HB VAL 38 HB VAL 38 3.633 -7.231 -13.067 313 HG11 VAL 38 HG11 VAL 38 1.244 -7.229 -13.656 314 HG12 VAL 38 HG12 VAL 38 1.454 -7.320 -11.908 315 HG13 VAL 38 HG13 VAL 38 1.019 -8.768 -12.820 316 HG21 VAL 38 HG21 VAL 38 3.426 -8.433 -10.914 317 HG22 VAL 38 HG22 VAL 38 4.695 -9.125 -11.925 318 HG23 VAL 38 HG23 VAL 38 3.136 -9.941 -11.785 319 H VAL 39 H VAL 39 4.970 -8.136 -16.229 320 HA VAL 39 HA VAL 39 7.162 -9.958 -15.473 321 HB VAL 39 HB VAL 39 6.837 -8.224 -17.969 322 HG11 VAL 39 HG11 VAL 39 8.708 -9.572 -18.926 323 HG12 VAL 39 HG12 VAL 39 8.923 -10.370 -17.367 324 HG13 VAL 39 HG13 VAL 39 9.226 -8.637 -17.520 325 HG21 VAL 39 HG21 VAL 39 5.143 -10.019 -17.883 326 HG22 VAL 39 HG22 VAL 39 6.407 -11.223 -17.618 327 HG23 VAL 39 HG23 VAL 39 6.329 -10.350 -19.150 328 H SER 40 H SER 40 8.586 -9.180 -14.087 329 HA SER 40 HA SER 40 9.013 -6.330 -13.659 330 HB2 SER 40 HB2 SER 40 10.510 -7.129 -11.801 331 HB3 SER 40 HB3 SER 40 8.872 -7.765 -11.695 332 HG SER 40 HG SER 40 10.706 -9.331 -13.094 333 H ASP 41 H ASP 41 10.349 -5.281 -14.967 334 HA ASP 41 HA ASP 41 12.232 -6.266 -16.762 335 HB2 ASP 41 HB2 ASP 41 12.169 -3.509 -15.435 336 HB3 ASP 41 HB3 ASP 41 13.006 -3.907 -16.937 337 H ASP 42 H ASP 42 13.031 -4.395 -13.839 338 HA ASP 42 HA ASP 42 14.770 -6.174 -12.586 339 HB2 ASP 42 HB2 ASP 42 17.001 -5.153 -13.023 340 HB3 ASP 42 HB3 ASP 42 16.298 -5.821 -14.493 341 H LYS 43 H LYS 43 14.276 -2.768 -13.317 342 HA LYS 43 HA LYS 43 14.118 -2.043 -10.431 343 HB2 LYS 43 HB2 LYS 43 14.814 0.258 -11.188 344 HB3 LYS 43 HB3 LYS 43 16.042 -0.975 -11.463 345 HG2 LYS 43 HG2 LYS 43 15.272 -1.112 -13.861 346 HG3 LYS 43 HG3 LYS 43 14.209 0.267 -13.545 347 HD2 LYS 43 HD2 LYS 43 16.147 1.679 -13.031 348 HD3 LYS 43 HD3 LYS 43 17.238 0.299 -13.197 349 HE2 LYS 43 HE2 LYS 43 16.645 0.122 -15.592 350 HE3 LYS 43 HE3 LYS 43 15.547 1.495 -15.422 351 HZ1 LYS 43 HZ1 LYS 43 17.694 2.117 -16.356 352 HZ2 LYS 43 HZ2 LYS 43 18.476 1.593 -14.954 353 HZ3 LYS 43 HZ3 LYS 43 17.409 2.902 -14.886 354 H THR 44 H THR 44 12.153 -2.865 -12.748 355 HA THR 44 HA THR 44 9.968 -1.018 -12.135 356 HB THR 44 HB THR 44 10.965 -1.452 -15.006 357 HG1 THR 44 HG1 THR 44 11.401 0.506 -13.166 358 HG21 THR 44 HG21 THR 44 8.535 0.125 -14.078 359 HG22 THR 44 HG22 THR 44 8.479 -1.408 -14.951 360 HG23 THR 44 HG23 THR 44 9.138 0.030 -15.736 361 H VAL 45 H VAL 45 7.897 -2.027 -12.464 362 HA VAL 45 HA VAL 45 7.894 -4.859 -13.386 363 HB VAL 45 HB VAL 45 5.980 -3.635 -11.334 364 HG11 VAL 45 HG11 VAL 45 5.283 -6.000 -10.938 365 HG12 VAL 45 HG12 VAL 45 6.341 -6.520 -12.249 366 HG13 VAL 45 HG13 VAL 45 4.956 -5.481 -12.596 367 HG21 VAL 45 HG21 VAL 45 7.163 -4.983 -9.617 368 HG22 VAL 45 HG22 VAL 45 8.236 -3.788 -10.350 369 HG23 VAL 45 HG23 VAL 45 8.348 -5.484 -10.828 370 H THR 46 H THR 46 6.534 -5.328 -15.063 371 HA THR 46 HA THR 46 4.783 -3.193 -16.138 372 HB THR 46 HB THR 46 5.905 -5.628 -17.603 373 HG1 THR 46 HG1 THR 46 7.570 -4.168 -17.052 374 HG21 THR 46 HG21 THR 46 5.193 -4.430 -19.652 375 HG22 THR 46 HG22 THR 46 4.500 -3.140 -18.668 376 HG23 THR 46 HG23 THR 46 3.806 -4.763 -18.610 377 H PHE 47 H PHE 47 2.727 -3.488 -15.551 378 HA PHE 47 HA PHE 47 1.519 -6.053 -14.957 379 HB2 PHE 47 HB2 PHE 47 0.018 -3.416 -15.168 380 HB3 PHE 47 HB3 PHE 47 -0.329 -4.798 -14.128 381 HD1 PHE 47 HD1 PHE 47 1.465 -5.342 -12.304 382 HD2 PHE 47 HD2 PHE 47 1.193 -1.568 -14.281 383 HE1 PHE 47 HE1 PHE 47 2.721 -4.290 -10.482 384 HE2 PHE 47 HE2 PHE 47 2.447 -0.522 -12.441 385 HZ PHE 47 HZ PHE 47 3.220 -1.883 -10.540 386 H CYS 48 H CYS 48 1.227 -7.250 -16.787 387 HA CYS 48 HA CYS 48 0.048 -6.096 -19.222 388 HB2 CYS 48 HB2 CYS 48 2.003 -7.536 -19.548 389 HB3 CYS 48 HB3 CYS 48 1.205 -8.867 -18.717 390 HG CYS 48 HG CYS 48 1.007 -7.929 -21.897 391 H TRP 49 H TRP 49 -2.035 -6.244 -19.638 392 HA TRP 49 HA TRP 49 -3.761 -8.337 -18.445 393 HB2 TRP 49 HB2 TRP 49 -4.471 -5.618 -19.652 394 HB3 TRP 49 HB3 TRP 49 -5.653 -6.787 -19.067 395 HD1 TRP 49 HD1 TRP 49 -5.710 -7.218 -16.357 396 HE1 TRP 49 HE1 TRP 49 -5.063 -5.685 -14.401 397 HE3 TRP 49 HE3 TRP 49 -2.880 -3.774 -18.889 398 HZ2 TRP 49 HZ2 TRP 49 -3.565 -3.347 -13.962 399 HZ3 TRP 49 HZ3 TRP 49 -1.877 -1.916 -17.621 400 HH2 TRP 49 HH2 TRP 49 -2.214 -1.705 -15.206 401 H GLY 50 H GLY 50 -3.029 -6.625 -21.503 402 HA2 GLY 50 HA2 GLY 50 -3.555 -9.057 -23.059 403 HA3 GLY 50 HA3 GLY 50 -4.580 -7.672 -23.411 404 H LYS 51 H LYS 51 -3.529 -8.166 -25.583 405 HA LYS 51 HA LYS 51 -0.848 -7.538 -26.220 406 HB2 LYS 51 HB2 LYS 51 -3.336 -7.208 -27.955 407 HB3 LYS 51 HB3 LYS 51 -1.681 -7.261 -28.555 408 HG2 LYS 51 HG2 LYS 51 -1.472 -9.603 -27.856 409 HG3 LYS 51 HG3 LYS 51 -3.089 -9.562 -27.143 410 HD2 LYS 51 HD2 LYS 51 -2.464 -9.166 -30.105 411 HD3 LYS 51 HD3 LYS 51 -3.054 -10.667 -29.387 412 HE2 LYS 51 HE2 LYS 51 -5.155 -9.562 -28.747 413 HE3 LYS 51 HE3 LYS 51 -4.554 -8.019 -29.354 414 HZ1 LYS 51 HZ1 LYS 51 -4.497 -8.944 -31.561 415 HZ2 LYS 51 HZ2 LYS 51 -6.047 -9.089 -30.905 416 HZ3 LYS 51 HZ3 LYS 51 -5.034 -10.436 -30.990 417 H THR 52 H THR 52 0.132 -5.645 -25.807 418 HA THR 52 HA THR 52 0.704 -3.459 -25.739 419 HB THR 52 HB THR 52 -1.875 -2.819 -27.248 420 HG1 THR 52 HG1 THR 52 -0.844 -3.868 -28.771 421 HG21 THR 52 HG21 THR 52 0.678 -1.177 -26.999 422 HG22 THR 52 HG22 THR 52 -0.859 -0.797 -26.218 423 HG23 THR 52 HG23 THR 52 -0.729 -0.761 -27.977 424 H GLU 53 H GLU 53 -2.339 -4.479 -24.473 425 HA GLU 53 HA GLU 53 -2.958 -2.200 -22.843 426 HB2 GLU 53 HB2 GLU 53 -3.974 -5.069 -22.598 427 HB3 GLU 53 HB3 GLU 53 -4.729 -3.618 -21.938 428 HG2 GLU 53 HG2 GLU 53 -5.210 -2.817 -24.210 429 HG3 GLU 53 HG3 GLU 53 -4.396 -4.225 -24.893 430 H GLN 54 H GLN 54 -0.946 -1.875 -21.757 431 HA GLN 54 HA GLN 54 -0.524 -3.386 -19.333 432 HB2 GLN 54 HB2 GLN 54 1.865 -3.962 -19.844 433 HB3 GLN 54 HB3 GLN 54 0.706 -4.835 -20.836 434 HG2 GLN 54 HG2 GLN 54 1.143 -3.160 -22.680 435 HG3 GLN 54 HG3 GLN 54 2.447 -2.500 -21.696 436 HE21 GLN 54 HE21 GLN 54 4.323 -3.779 -21.374 437 HE22 GLN 54 HE22 GLN 54 4.685 -5.121 -22.396 438 H ARG 55 H ARG 55 0.462 -2.217 -17.755 439 HA ARG 55 HA ARG 55 1.587 0.465 -18.396 440 HB2 ARG 55 HB2 ARG 55 -0.349 -0.381 -16.223 441 HB3 ARG 55 HB3 ARG 55 0.825 0.866 -15.833 442 HG2 ARG 55 HG2 ARG 55 -1.249 1.914 -16.490 443 HG3 ARG 55 HG3 ARG 55 -0.017 2.252 -17.702 444 HD2 ARG 55 HD2 ARG 55 -0.995 0.434 -19.122 445 HD3 ARG 55 HD3 ARG 55 -2.280 0.237 -17.924 446 HE ARG 55 HE ARG 55 -2.088 2.940 -18.831 447 HH11 ARG 55 HH11 ARG 55 -3.296 -0.161 -19.797 448 HH12 ARG 55 HH12 ARG 55 -4.498 0.513 -20.835 449 HH21 ARG 55 HH21 ARG 55 -3.617 3.772 -20.160 450 HH22 ARG 55 HH22 ARG 55 -4.674 2.724 -21.038 451 H GLN 56 H GLN 56 3.203 1.209 -16.729 452 HA GLN 56 HA GLN 56 4.663 -1.032 -15.433 453 HB2 GLN 56 HB2 GLN 56 5.916 1.291 -16.972 454 HB3 GLN 56 HB3 GLN 56 6.808 0.090 -16.039 455 HG2 GLN 56 HG2 GLN 56 5.881 -1.680 -17.575 456 HG3 GLN 56 HG3 GLN 56 5.191 -0.389 -18.555 457 HE21 GLN 56 HE21 GLN 56 8.152 -1.982 -17.586 458 HE22 GLN 56 HE22 GLN 56 9.159 -1.260 -18.784 459 H ALA 57 H ALA 57 5.749 -0.554 -13.506 460 HA ALA 57 HA ALA 57 5.645 2.182 -12.399 461 HB1 ALA 57 HB1 ALA 57 4.753 -0.285 -10.850 462 HB2 ALA 57 HB2 ALA 57 3.694 0.999 -11.442 463 HB3 ALA 57 HB3 ALA 57 4.898 1.354 -10.201 464 H GLY 58 H GLY 58 7.678 2.728 -11.935 465 HA2 GLY 58 HA2 GLY 58 9.821 0.813 -11.557 466 HA3 GLY 58 HA3 GLY 58 9.952 2.562 -11.595 467 H ILE 59 H ILE 59 10.745 0.195 -9.677 468 HA ILE 59 HA ILE 59 9.638 0.931 -7.121 469 HB ILE 59 HB ILE 59 12.138 -0.734 -7.738 470 HG12 ILE 59 HG12 ILE 59 10.639 -2.681 -6.945 471 HG13 ILE 59 HG13 ILE 59 9.281 -1.577 -7.078 472 HG21 ILE 59 HG21 ILE 59 12.329 0.242 -5.485 473 HG22 ILE 59 HG22 ILE 59 12.053 -1.497 -5.369 474 HG23 ILE 59 HG23 ILE 59 10.729 -0.373 -5.055 475 HD11 ILE 59 HD11 ILE 59 11.067 -2.477 -9.340 476 HD12 ILE 59 HD12 ILE 59 9.680 -1.391 -9.484 477 HD13 ILE 59 HD13 ILE 59 9.441 -3.063 -8.981 478 H VAL 60 H VAL 60 10.326 2.544 -5.781 479 HA VAL 60 HA VAL 60 12.508 4.296 -6.632 480 HB VAL 60 HB VAL 60 10.553 4.637 -4.311 481 HG11 VAL 60 HG11 VAL 60 12.583 5.994 -3.987 482 HG12 VAL 60 HG12 VAL 60 11.206 7.035 -4.352 483 HG13 VAL 60 HG13 VAL 60 12.401 6.687 -5.603 484 HG21 VAL 60 HG21 VAL 60 9.326 4.557 -6.447 485 HG22 VAL 60 HG22 VAL 60 10.379 5.806 -7.119 486 HG23 VAL 60 HG23 VAL 60 9.297 6.193 -5.779 487 H ALA 61 H ALA 61 11.519 2.603 -3.626 488 HA ALA 61 HA ALA 61 14.211 1.764 -3.004 489 HB1 ALA 61 HB1 ALA 61 12.895 3.750 -1.110 490 HB2 ALA 61 HB2 ALA 61 14.289 4.085 -2.139 491 HB3 ALA 61 HB3 ALA 61 14.421 2.901 -0.837 492 H ILE 62 H ILE 62 14.305 0.265 -1.241 493 HA ILE 62 HA ILE 62 11.904 -0.595 0.153 494 HB ILE 62 HB ILE 62 11.602 -1.842 -1.942 495 HG12 ILE 62 HG12 ILE 62 12.567 -3.691 0.300 496 HG13 ILE 62 HG13 ILE 62 10.947 -3.028 0.132 497 HG21 ILE 62 HG21 ILE 62 13.249 -3.454 -2.816 498 HG22 ILE 62 HG22 ILE 62 14.391 -2.987 -1.555 499 HG23 ILE 62 HG23 ILE 62 13.907 -1.816 -2.784 500 HD11 ILE 62 HD11 ILE 62 10.647 -4.350 -1.922 501 HD12 ILE 62 HD12 ILE 62 10.998 -5.346 -0.511 502 HD13 ILE 62 HD13 ILE 62 12.261 -5.033 -1.701 503 H ARG 63 H ARG 63 12.382 -1.881 2.008 504 HA ARG 63 HA ARG 63 15.077 -2.932 2.421 505 HB2 ARG 63 HB2 ARG 63 15.178 -0.568 3.253 506 HB3 ARG 63 HB3 ARG 63 13.915 -0.934 4.422 507 HG2 ARG 63 HG2 ARG 63 15.381 -2.513 5.575 508 HG3 ARG 63 HG3 ARG 63 16.626 -2.320 4.335 509 HD2 ARG 63 HD2 ARG 63 16.833 0.079 4.950 510 HD3 ARG 63 HD3 ARG 63 15.642 -0.159 6.234 511 HE ARG 63 HE ARG 63 17.325 -1.867 7.117 512 HH11 ARG 63 HH11 ARG 63 18.336 0.953 5.379 513 HH12 ARG 63 HH12 ARG 63 19.849 1.039 6.201 514 HH21 ARG 63 HH21 ARG 63 19.276 -1.706 8.160 515 HH22 ARG 63 HH22 ARG 63 20.371 -0.435 7.743 516 H ALA 64 H ALA 64 14.446 -4.952 2.661 517 HA ALA 64 HA ALA 64 13.395 -6.853 3.201 518 HB1 ALA 64 HB1 ALA 64 13.290 -7.353 5.581 519 HB2 ALA 64 HB2 ALA 64 13.428 -5.637 5.961 520 HB3 ALA 64 HB3 ALA 64 14.770 -6.475 5.183 521 H TYR 65 H TYR 65 11.510 -5.079 5.682 522 HA TYR 65 HA TYR 65 9.103 -5.074 4.007 523 HB2 TYR 65 HB2 TYR 65 7.721 -6.380 5.427 524 HB3 TYR 65 HB3 TYR 65 9.203 -7.313 5.298 525 HD1 TYR 65 HD2 TYR 65 11.013 -6.537 7.286 526 HD2 TYR 65 HD1 TYR 65 6.751 -6.378 7.550 527 HE1 TYR 65 HE2 TYR 65 11.154 -6.568 9.742 528 HE2 TYR 65 HE1 TYR 65 6.892 -6.408 9.991 529 HH TYR 65 HH TYR 65 9.760 -5.841 11.672 530 H SER 66 H SER 66 11.073 -3.484 6.173 531 HA SER 66 HA SER 66 9.275 -1.998 7.801 532 HB2 SER 66 HB2 SER 66 12.116 -1.404 6.886 533 HB3 SER 66 HB3 SER 66 11.224 -0.306 7.942 534 HG SER 66 HG SER 66 11.413 -3.030 8.609 535 H PHE 67 H PHE 67 10.459 -1.484 4.499 536 HA PHE 67 HA PHE 67 8.024 -0.072 3.884 537 HB2 PHE 67 HB2 PHE 67 9.098 1.999 2.954 538 HB3 PHE 67 HB3 PHE 67 9.237 1.870 4.699 539 HD1 PHE 67 HD1 PHE 67 11.138 1.681 1.506 540 HD2 PHE 67 HD2 PHE 67 11.407 1.667 5.779 541 HE1 PHE 67 HE1 PHE 67 13.557 2.074 1.359 542 HE2 PHE 67 HE2 PHE 67 13.831 2.063 5.619 543 HZ PHE 67 HZ PHE 67 14.905 2.271 3.411 544 H ILE 68 H ILE 68 7.647 0.254 1.677 545 HA ILE 68 HA ILE 68 9.647 -0.470 -0.312 546 HB ILE 68 HB ILE 68 8.488 -2.638 0.148 547 HG12 ILE 68 HG12 ILE 68 7.854 -1.505 -2.621 548 HG13 ILE 68 HG13 ILE 68 9.406 -2.177 -2.127 549 HG21 ILE 68 HG21 ILE 68 6.304 -1.788 0.859 550 HG22 ILE 68 HG22 ILE 68 6.110 -2.965 -0.443 551 HG23 ILE 68 HG23 ILE 68 5.962 -1.237 -0.784 552 HD11 ILE 68 HD11 ILE 68 8.378 -4.364 -1.845 553 HD12 ILE 68 HD12 ILE 68 8.137 -3.737 -3.475 554 HD13 ILE 68 HD13 ILE 68 6.813 -3.696 -2.315 555 H ARG 69 H ARG 69 9.339 0.668 -2.237 556 HA ARG 69 HA ARG 69 7.066 2.573 -2.370 557 HB2 ARG 69 HB2 ARG 69 10.040 3.144 -2.631 558 HB3 ARG 69 HB3 ARG 69 8.819 4.264 -3.211 559 HG2 ARG 69 HG2 ARG 69 8.597 5.168 -1.172 560 HG3 ARG 69 HG3 ARG 69 8.177 3.616 -0.475 561 HD2 ARG 69 HD2 ARG 69 10.243 3.312 0.454 562 HD3 ARG 69 HD3 ARG 69 11.086 4.012 -0.929 563 HE ARG 69 HE ARG 69 10.518 6.218 -0.082 564 HH11 ARG 69 HH11 ARG 69 10.231 3.684 2.248 565 HH12 ARG 69 HH12 ARG 69 10.345 4.775 3.574 566 HH21 ARG 69 HH21 ARG 69 10.592 7.552 1.614 567 HH22 ARG 69 HH22 ARG 69 10.556 6.929 3.222 568 H PHE 70 H PHE 70 6.215 2.940 -4.333 569 HA PHE 70 HA PHE 70 7.640 2.127 -6.809 570 HB2 PHE 70 HB2 PHE 70 4.698 1.689 -6.121 571 HB3 PHE 70 HB3 PHE 70 5.312 1.601 -7.766 572 HD1 PHE 70 HD2 PHE 70 5.464 -0.013 -4.416 573 HD2 PHE 70 HD1 PHE 70 6.441 -0.361 -8.568 574 HE1 PHE 70 HE2 PHE 70 6.023 -2.379 -4.094 575 HE2 PHE 70 HE1 PHE 70 6.987 -2.736 -8.231 576 HZ PHE 70 HZ PHE 70 6.777 -3.742 -5.995 577 H HIS 71 H HIS 71 6.934 3.282 -8.719 578 HA HIS 71 HA HIS 71 5.236 5.639 -8.472 579 HB2 HIS 71 HB2 HIS 71 7.547 6.467 -7.907 580 HB3 HIS 71 HB3 HIS 71 8.118 5.901 -9.473 581 HD1 HIS 71 HD1 HIS 71 7.201 7.197 -11.584 582 HD2 HIS 71 HD2 HIS 71 6.251 8.924 -7.928 583 HE1 HIS 71 HE1 HIS 71 6.420 9.510 -12.121 584 HE2 HIS 71 HE2 HIS 71 6.089 10.606 -9.885 585 H TRP 72 H TRP 72 3.957 5.663 -10.240 586 HA TRP 72 HA TRP 72 4.214 3.715 -12.314 587 HB2 TRP 72 HB2 TRP 72 2.299 6.068 -12.032 588 HB3 TRP 72 HB3 TRP 72 2.175 4.844 -13.290 589 HD1 TRP 72 HD1 TRP 72 1.852 5.178 -9.437 590 HE1 TRP 72 HE1 TRP 72 0.313 3.296 -8.601 591 HE3 TRP 72 HE3 TRP 72 1.239 2.601 -13.827 592 HZ2 TRP 72 HZ2 TRP 72 -0.988 1.025 -9.642 593 HZ3 TRP 72 HZ3 TRP 72 -0.178 0.581 -13.818 594 HH2 TRP 72 HH2 TRP 72 -1.269 -0.190 -11.765 595 H LEU 73 H LEU 73 5.013 3.861 -14.330 596 HA LEU 73 HA LEU 73 6.332 6.204 -15.368 597 HB2 LEU 73 HB2 LEU 73 5.742 3.440 -16.479 598 HB3 LEU 73 HB3 LEU 73 6.422 4.683 -17.508 599 HG LEU 73 HG LEU 73 8.177 3.187 -16.733 600 HD11 LEU 73 HD11 LEU 73 8.457 5.880 -15.375 601 HD12 LEU 73 HD12 LEU 73 8.779 5.532 -17.076 602 HD13 LEU 73 HD13 LEU 73 9.771 4.785 -15.827 603 HD21 LEU 73 HD21 LEU 73 7.467 3.953 -13.886 604 HD22 LEU 73 HD22 LEU 73 8.812 2.926 -14.397 605 HD23 LEU 73 HD23 LEU 73 7.153 2.392 -14.649 606 H ASP 74 H ASP 74 3.227 4.580 -15.882 607 HA ASP 74 HA ASP 74 2.182 6.217 -17.956 608 HB2 ASP 74 HB2 ASP 74 1.262 3.978 -17.238 609 HB3 ASP 74 HB3 ASP 74 0.660 4.721 -15.761 610 H ASP 75 H ASP 75 1.088 6.236 -14.535 611 HA ASP 75 HA ASP 75 0.513 9.088 -14.573 612 HB2 ASP 75 HB2 ASP 75 0.390 7.076 -12.281 613 HB3 ASP 75 HB3 ASP 75 -0.232 8.726 -12.221 614 H GLU 76 H GLU 76 2.702 9.706 -15.118 615 HA GLU 76 HA GLU 76 4.845 9.357 -13.178 616 HB2 GLU 76 HB2 GLU 76 6.233 10.580 -14.797 617 HB3 GLU 76 HB3 GLU 76 5.364 9.265 -15.580 618 HG2 GLU 76 HG2 GLU 76 3.788 10.811 -16.580 619 HG3 GLU 76 HG3 GLU 76 4.457 12.162 -15.666 620 H ASN 77 H ASN 77 2.298 11.092 -12.737 621 HA ASN 77 HA ASN 77 2.933 13.790 -12.430 622 HB2 ASN 77 HB2 ASN 77 0.987 12.074 -10.812 623 HB3 ASN 77 HB3 ASN 77 1.000 13.834 -10.835 624 HD21 ASN 77 HD21 ASN 77 -1.114 11.969 -11.616 625 HD22 ASN 77 HD22 ASN 77 -1.501 12.346 -13.253 626 H GLU 78 H GLU 78 4.571 14.622 -11.256 627 HA GLU 78 HA GLU 78 5.639 13.398 -8.865 628 HB2 GLU 78 HB2 GLU 78 6.244 16.038 -10.249 629 HB3 GLU 78 HB3 GLU 78 7.057 15.521 -8.773 630 HG2 GLU 78 HG2 GLU 78 7.106 14.036 -11.424 631 HG3 GLU 78 HG3 GLU 78 8.402 15.059 -10.801 632 H ARG 79 H ARG 79 6.108 15.004 -6.983 633 HA ARG 79 HA ARG 79 5.449 16.020 -5.099 634 HB2 ARG 79 HB2 ARG 79 2.905 17.005 -6.446 635 HB3 ARG 79 HB3 ARG 79 3.638 17.636 -4.971 636 HG2 ARG 79 HG2 ARG 79 4.695 17.882 -7.812 637 HG3 ARG 79 HG3 ARG 79 4.078 19.180 -6.789 638 HD2 ARG 79 HD2 ARG 79 6.015 19.029 -5.330 639 HD3 ARG 79 HD3 ARG 79 6.566 17.555 -6.135 640 HE ARG 79 HE ARG 79 6.363 19.982 -7.757 641 HH11 ARG 79 HH11 ARG 79 8.460 17.740 -6.144 642 HH12 ARG 79 HH12 ARG 79 9.864 18.328 -6.950 643 HH21 ARG 79 HH21 ARG 79 8.164 20.689 -8.773 644 HH22 ARG 79 HH22 ARG 79 9.701 19.991 -8.420 645 H ASP 80 H ASP 80 2.574 14.555 -6.666 646 HA ASP 80 HA ASP 80 1.570 13.272 -4.363 647 HB2 ASP 80 HB2 ASP 80 1.264 12.518 -7.306 648 HB3 ASP 80 HB3 ASP 80 0.290 11.865 -5.985 649 H TYR 81 H TYR 81 1.980 11.271 -3.507 650 HA TYR 81 HA TYR 81 4.171 9.601 -4.484 651 HB2 TYR 81 HB2 TYR 81 5.385 11.372 -3.341 652 HB3 TYR 81 HB3 TYR 81 4.317 11.292 -1.953 653 HD1 TYR 81 HD1 TYR 81 6.872 9.274 -3.827 654 HD2 TYR 81 HD2 TYR 81 4.934 9.966 -0.071 655 HE1 TYR 81 HE1 TYR 81 8.491 7.802 -2.715 656 HE2 TYR 81 HE2 TYR 81 6.556 8.486 1.028 657 HH TYR 81 HH TYR 81 8.088 6.712 0.491 658 H PHE 82 H PHE 82 4.079 7.512 -3.669 659 HA PHE 82 HA PHE 82 2.078 6.824 -1.630 660 HB2 PHE 82 HB2 PHE 82 0.916 6.836 -3.869 661 HB3 PHE 82 HB3 PHE 82 2.038 5.606 -4.432 662 HD1 PHE 82 HD1 PHE 82 -0.648 6.278 -1.924 663 HD2 PHE 82 HD2 PHE 82 1.590 3.282 -4.003 664 HE1 PHE 82 HE1 PHE 82 -2.177 4.549 -1.091 665 HE2 PHE 82 HE2 PHE 82 0.057 1.558 -3.155 666 HZ PHE 82 HZ PHE 82 -1.829 2.188 -1.703 667 H GLU 83 H GLU 83 2.979 5.433 -0.254 668 HA GLU 83 HA GLU 83 4.598 3.179 -1.232 669 HB2 GLU 83 HB2 GLU 83 6.327 3.421 0.402 670 HB3 GLU 83 HB3 GLU 83 6.161 4.994 -0.365 671 HG2 GLU 83 HG2 GLU 83 4.971 5.872 1.549 672 HG3 GLU 83 HG3 GLU 83 4.911 4.283 2.300 673 H ILE 84 H ILE 84 4.733 1.405 0.295 674 HA ILE 84 HA ILE 84 2.581 1.321 2.335 675 HB ILE 84 HB ILE 84 3.355 -1.072 0.594 676 HG12 ILE 84 HG12 ILE 84 0.832 -0.717 -0.246 677 HG13 ILE 84 HG13 ILE 84 1.137 0.957 0.193 678 HG21 ILE 84 HG21 ILE 84 2.551 -1.670 2.829 679 HG22 ILE 84 HG22 ILE 84 1.385 -2.148 1.598 680 HG23 ILE 84 HG23 ILE 84 1.084 -0.716 2.581 681 HD11 ILE 84 HD11 ILE 84 2.986 1.037 -1.392 682 HD12 ILE 84 HD12 ILE 84 1.487 0.532 -2.172 683 HD13 ILE 84 HD13 ILE 84 2.725 -0.664 -1.794 684 H LYS 85 H LYS 85 3.263 0.608 4.334 685 HA LYS 85 HA LYS 85 5.479 -1.315 4.489 686 HB2 LYS 85 HB2 LYS 85 6.391 -0.118 6.503 687 HB3 LYS 85 HB3 LYS 85 6.621 0.730 4.988 688 HG2 LYS 85 HG2 LYS 85 4.328 1.441 6.829 689 HG3 LYS 85 HG3 LYS 85 5.953 2.071 7.106 690 HD2 LYS 85 HD2 LYS 85 5.457 2.588 4.359 691 HD3 LYS 85 HD3 LYS 85 3.917 2.922 5.152 692 HE2 LYS 85 HE2 LYS 85 5.249 4.957 5.036 693 HE3 LYS 85 HE3 LYS 85 5.088 4.460 6.721 694 HZ1 LYS 85 HZ1 LYS 85 7.299 3.497 6.600 695 HZ2 LYS 85 HZ2 LYS 85 7.335 5.144 6.208 696 HZ3 LYS 85 HZ3 LYS 85 7.448 3.977 4.986 697 H MET 86 H MET 86 5.602 -2.398 6.613 698 HA MET 86 HA MET 86 3.228 -2.234 8.329 699 HB2 MET 86 HB2 MET 86 3.117 -4.742 8.504 700 HB3 MET 86 HB3 MET 86 2.624 -4.108 6.945 701 HG2 MET 86 HG2 MET 86 5.470 -4.994 7.211 702 HG3 MET 86 HG3 MET 86 4.225 -6.240 7.162 703 HE1 MET 86 HE1 MET 86 2.032 -5.005 5.282 704 HE2 MET 86 HE2 MET 86 2.627 -6.661 5.144 705 HE3 MET 86 HE3 MET 86 2.546 -5.631 3.715 706 H SER 87 H SER 87 3.613 -2.654 10.433 707 HA SER 87 HA SER 87 6.409 -3.071 11.331 708 HB2 SER 87 HB2 SER 87 5.569 -0.825 11.928 709 HB3 SER 87 HB3 SER 87 4.148 -1.532 12.697 710 HG SER 87 HG SER 87 5.337 -1.548 14.425 711 H TYR 88 H TYR 88 6.772 -4.853 12.530 712 HA TYR 88 HA TYR 88 4.539 -6.645 13.183 713 HB2 TYR 88 HB2 TYR 88 6.532 -7.538 12.001 714 HB3 TYR 88 HB3 TYR 88 7.559 -7.052 13.343 715 HD1 TYR 88 HD1 TYR 88 4.444 -9.098 12.775 716 HD2 TYR 88 HD2 TYR 88 8.166 -8.774 14.848 717 HE1 TYR 88 HE1 TYR 88 4.082 -11.302 13.776 718 HE2 TYR 88 HE2 TYR 88 7.787 -10.978 15.853 719 HH TYR 88 HH TYR 88 5.986 -12.490 16.347 720 H ASN 89 H ASN 89 3.594 -6.285 15.107 721 HA ASN 89 HA ASN 89 4.636 -4.686 17.193 722 HB2 ASN 89 HB2 ASN 89 2.241 -6.570 17.090 723 HB3 ASN 89 HB3 ASN 89 2.613 -5.572 18.497 724 HD21 ASN 89 HD21 ASN 89 1.609 -5.511 15.154 725 HD22 ASN 89 HD22 ASN 89 0.979 -3.916 15.177 726 H GLU 90 H GLU 90 4.862 -8.124 16.633 727 HA GLU 90 HA GLU 90 6.174 -9.740 17.473 728 HB2 GLU 90 HB2 GLU 90 7.915 -7.994 17.617 729 HB3 GLU 90 HB3 GLU 90 7.376 -7.591 19.244 730 HG2 GLU 90 HG2 GLU 90 7.973 -9.938 19.946 731 HG3 GLU 90 HG3 GLU 90 8.637 -10.192 18.332 732 H LEU 91 H LEU 91 5.451 -7.748 20.354 733 HA LEU 91 HA LEU 91 5.310 -9.885 22.188 734 HB2 LEU 91 HB2 LEU 91 4.205 -7.066 22.471 735 HB3 LEU 91 HB3 LEU 91 4.568 -8.173 23.787 736 HG LEU 91 HG LEU 91 6.595 -6.863 21.917 737 HD11 LEU 91 HD11 LEU 91 5.692 -5.298 23.556 738 HD12 LEU 91 HD12 LEU 91 7.378 -5.662 23.910 739 HD13 LEU 91 HD13 LEU 91 6.096 -6.402 24.874 740 HD21 LEU 91 HD21 LEU 91 7.371 -9.108 22.491 741 HD22 LEU 91 HD22 LEU 91 7.117 -8.792 24.209 742 HD23 LEU 91 HD23 LEU 91 8.353 -7.898 23.317 743 H THR 92 H THR 92 3.007 -8.731 19.940 744 HA THR 92 HA THR 92 0.934 -10.456 21.141 745 HB THR 92 HB THR 92 0.214 -8.108 21.436 746 HG1 THR 92 HG1 THR 92 -1.544 -8.909 19.442 747 HG21 THR 92 HG21 THR 92 1.351 -7.059 19.506 748 HG22 THR 92 HG22 THR 92 -0.371 -6.689 19.499 749 HG23 THR 92 HG23 THR 92 0.267 -7.909 18.395 750 H GLY 93 H GLY 93 2.936 -9.862 18.502 751 HA2 GLY 93 HA2 GLY 93 3.327 -11.258 16.693 752 HA3 GLY 93 HA3 GLY 93 1.817 -12.087 17.002 753 H ASP 94 H ASP 94 0.583 -9.178 16.890 754 HA ASP 94 HA ASP 94 -0.320 -9.481 14.163 755 HB2 ASP 94 HB2 ASP 94 -1.056 -7.418 16.276 756 HB3 ASP 94 HB3 ASP 94 -1.925 -7.699 14.767 757 H TYR 95 H TYR 95 -0.807 -7.149 13.035 758 HA TYR 95 HA TYR 95 1.814 -5.785 12.701 759 HB2 TYR 95 HB2 TYR 95 -0.059 -6.899 10.593 760 HB3 TYR 95 HB3 TYR 95 0.976 -5.535 10.192 761 HD1 TYR 95 HD1 TYR 95 1.011 -9.103 11.244 762 HD2 TYR 95 HD2 TYR 95 3.339 -5.836 9.796 763 HE1 TYR 95 HE1 TYR 95 2.880 -10.615 10.811 764 HE2 TYR 95 HE2 TYR 95 5.212 -7.359 9.362 765 HH TYR 95 HH TYR 95 6.031 -9.577 10.151 766 H VAL 96 H VAL 96 1.813 -3.668 12.909 767 HA VAL 96 HA VAL 96 -0.521 -1.961 12.524 768 HB VAL 96 HB VAL 96 2.411 -1.331 13.146 769 HG11 VAL 96 HG11 VAL 96 1.715 1.026 13.507 770 HG12 VAL 96 HG12 VAL 96 0.099 0.635 12.917 771 HG13 VAL 96 HG13 VAL 96 1.481 0.534 11.825 772 HG21 VAL 96 HG21 VAL 96 1.555 -0.673 15.372 773 HG22 VAL 96 HG22 VAL 96 1.148 -2.354 15.015 774 HG23 VAL 96 HG23 VAL 96 -0.086 -1.098 14.876 775 H LEU 97 H LEU 97 -1.138 -1.781 10.441 776 HA LEU 97 HA LEU 97 0.787 -1.929 8.204 777 HB2 LEU 97 HB2 LEU 97 -1.241 -3.428 8.295 778 HB3 LEU 97 HB3 LEU 97 -2.261 -2.013 8.165 779 HG LEU 97 HG LEU 97 -1.291 -1.523 5.926 780 HD11 LEU 97 HD11 LEU 97 0.192 -4.152 6.230 781 HD12 LEU 97 HD12 LEU 97 0.922 -2.544 6.209 782 HD13 LEU 97 HD13 LEU 97 0.114 -3.161 4.770 783 HD21 LEU 97 HD21 LEU 97 -3.374 -2.797 6.068 784 HD22 LEU 97 HD22 LEU 97 -2.469 -4.310 6.174 785 HD23 LEU 97 HD23 LEU 97 -2.405 -3.340 4.698 786 H GLU 98 H GLU 98 1.435 -0.065 7.288 787 HA GLU 98 HA GLU 98 -0.190 2.369 7.688 788 HB2 GLU 98 HB2 GLU 98 1.894 1.998 9.223 789 HB3 GLU 98 HB3 GLU 98 2.845 2.395 7.801 790 HG2 GLU 98 HG2 GLU 98 0.667 4.299 8.632 791 HG3 GLU 98 HG3 GLU 98 2.121 4.219 9.621 792 H ILE 99 H ILE 99 -0.837 3.096 5.779 793 HA ILE 99 HA ILE 99 0.870 2.847 3.362 794 HB ILE 99 HB ILE 99 -2.148 3.037 3.724 795 HG12 ILE 99 HG12 ILE 99 -2.110 1.082 2.065 796 HG13 ILE 99 HG13 ILE 99 -0.358 1.088 2.192 797 HG21 ILE 99 HG21 ILE 99 -2.441 3.332 1.269 798 HG22 ILE 99 HG22 ILE 99 -0.704 3.594 1.106 799 HG23 ILE 99 HG23 ILE 99 -1.684 4.734 2.031 800 HD11 ILE 99 HD11 ILE 99 -1.375 -0.651 3.535 801 HD12 ILE 99 HD12 ILE 99 -2.295 0.553 4.439 802 HD13 ILE 99 HD13 ILE 99 -0.534 0.516 4.552 803 H THR 100 H THR 100 1.988 4.691 2.899 804 HA THR 100 HA THR 100 0.984 7.330 3.747 805 HB THR 100 HB THR 100 3.652 6.577 2.482 806 HG1 THR 100 HG1 THR 100 2.846 6.206 4.924 807 HG21 THR 100 HG21 THR 100 4.411 8.841 3.133 808 HG22 THR 100 HG22 THR 100 2.775 9.243 3.662 809 HG23 THR 100 HG23 THR 100 3.099 8.926 1.956 810 H ASP 101 H ASP 101 -0.537 8.052 2.382 811 HA ASP 101 HA ASP 101 -0.223 7.881 -0.556 812 HB2 ASP 101 HB2 ASP 101 -2.197 6.694 0.347 813 HB3 ASP 101 HB3 ASP 101 -2.697 8.131 1.232 814 H PHE 102 H PHE 102 -0.924 9.776 -1.804 815 HA PHE 102 HA PHE 102 -1.138 12.342 -0.313 816 HB2 PHE 102 HB2 PHE 102 0.192 11.654 -2.906 817 HB3 PHE 102 HB3 PHE 102 -0.765 13.122 -2.952 818 HD1 PHE 102 HD2 PHE 102 2.094 11.478 -1.202 819 HD2 PHE 102 HD1 PHE 102 0.065 15.156 -2.009 820 HE1 PHE 102 HE2 PHE 102 3.979 12.739 -0.244 821 HE2 PHE 102 HE1 PHE 102 1.950 16.408 -1.046 822 HZ PHE 102 HZ PHE 102 3.909 15.202 -0.163 823 H SER 103 H SER 103 -3.197 12.915 -0.110 824 HA SER 103 HA SER 103 -5.226 12.242 -2.127 825 HB2 SER 103 HB2 SER 103 -5.503 13.341 0.708 826 HB3 SER 103 HB3 SER 103 -6.855 12.964 -0.368 827 HG SER 103 HG SER 103 -5.071 10.892 -0.116 828 H GLU 104 H GLU 104 -6.037 13.724 -3.460 829 HA GLU 104 HA GLU 104 -5.165 16.433 -3.601 830 HB2 GLU 104 HB2 GLU 104 -7.642 15.189 -4.888 831 HB3 GLU 104 HB3 GLU 104 -6.793 16.638 -5.419 832 HG2 GLU 104 HG2 GLU 104 -4.802 15.248 -5.954 833 HG3 GLU 104 HG3 GLU 104 -5.694 13.804 -5.487 834 H ALA 105 H ALA 105 -6.165 18.338 -2.794 835 HA ALA 105 HA ALA 105 -7.470 18.357 -0.412 836 HB1 ALA 105 HB1 ALA 105 -7.729 20.513 -2.518 837 HB2 ALA 105 HB2 ALA 105 -6.372 20.310 -1.407 838 HB3 ALA 105 HB3 ALA 105 -7.972 20.723 -0.781 839 H ASP 106 H ASP 106 -9.201 18.753 -3.524 840 HA ASP 106 HA ASP 106 -11.837 18.936 -2.428 841 HB2 ASP 106 HB2 ASP 106 -10.997 18.090 -5.228 842 HB3 ASP 106 HB3 ASP 106 -12.620 18.590 -4.756 843 H GLU 107 H GLU 107 -9.822 16.183 -3.095 844 HA GLU 107 HA GLU 107 -12.061 14.245 -3.068 845 HB2 GLU 107 HB2 GLU 107 -9.094 13.636 -3.517 846 HB3 GLU 107 HB3 GLU 107 -10.465 12.576 -3.844 847 HG2 GLU 107 HG2 GLU 107 -9.655 15.077 -5.352 848 HG3 GLU 107 HG3 GLU 107 -9.596 13.417 -5.928 849 H ALA 108 H ALA 108 -9.804 15.668 -0.961 850 HA ALA 108 HA ALA 108 -8.754 13.490 0.494 851 HB1 ALA 108 HB1 ALA 108 -7.723 15.724 0.477 852 HB2 ALA 108 HB2 ALA 108 -7.989 15.154 2.125 853 HB3 ALA 108 HB3 ALA 108 -9.067 16.367 1.421 854 H ASP 109 H ASP 109 -11.722 15.343 1.003 855 HA ASP 109 HA ASP 109 -12.380 14.362 3.601 856 HB2 ASP 109 HB2 ASP 109 -13.364 16.412 2.570 857 HB3 ASP 109 HB3 ASP 109 -14.212 15.409 1.403 858 H ASP 110 H ASP 110 -13.028 13.160 0.326 859 HA ASP 110 HA ASP 110 -14.811 11.022 1.064 860 HB2 ASP 110 HB2 ASP 110 -13.171 11.362 -1.492 861 HB3 ASP 110 HB3 ASP 110 -14.568 10.306 -1.279 862 H LEU 111 H LEU 111 -11.335 11.192 0.246 863 HA LEU 111 HA LEU 111 -10.608 8.500 0.639 864 HB2 LEU 111 HB2 LEU 111 -9.115 11.119 0.796 865 HB3 LEU 111 HB3 LEU 111 -8.313 9.696 1.424 866 HG LEU 111 HG LEU 111 -7.610 10.225 -0.886 867 HD11 LEU 111 HD11 LEU 111 -9.107 7.596 -0.696 868 HD12 LEU 111 HD12 LEU 111 -7.466 7.914 -0.123 869 HD13 LEU 111 HD13 LEU 111 -7.822 7.985 -1.847 870 HD21 LEU 111 HD21 LEU 111 -10.471 9.634 -1.718 871 HD22 LEU 111 HD22 LEU 111 -9.106 9.945 -2.798 872 HD23 LEU 111 HD23 LEU 111 -9.691 11.220 -1.731 873 H LYS 112 H LYS 112 -10.547 11.211 2.962 874 HA LYS 112 HA LYS 112 -9.707 9.780 5.229 875 HB2 LYS 112 HB2 LYS 112 -11.141 12.426 4.876 876 HB3 LYS 112 HB3 LYS 112 -10.877 11.778 6.491 877 HG2 LYS 112 HG2 LYS 112 -8.715 12.437 4.467 878 HG3 LYS 112 HG3 LYS 112 -9.142 13.389 5.895 879 HD2 LYS 112 HD2 LYS 112 -8.557 11.304 7.288 880 HD3 LYS 112 HD3 LYS 112 -7.873 10.619 5.808 881 HE2 LYS 112 HE2 LYS 112 -6.098 11.614 7.121 882 HE3 LYS 112 HE3 LYS 112 -6.341 12.588 5.671 883 HZ1 LYS 112 HZ1 LYS 112 -7.468 13.228 8.344 884 HZ2 LYS 112 HZ2 LYS 112 -7.558 14.189 6.953 885 HZ3 LYS 112 HZ3 LYS 112 -6.068 13.915 7.696 886 H GLU 113 H GLU 113 -13.026 10.448 4.051 887 HA GLU 113 HA GLU 113 -14.392 9.365 6.290 888 HB2 GLU 113 HB2 GLU 113 -15.615 10.761 4.714 889 HB3 GLU 113 HB3 GLU 113 -15.292 9.648 3.387 890 HG2 GLU 113 HG2 GLU 113 -16.770 7.989 4.283 891 HG3 GLU 113 HG3 GLU 113 -16.883 8.822 5.830 892 H LEU 114 H LEU 114 -13.254 7.867 3.274 893 HA LEU 114 HA LEU 114 -14.372 5.291 3.607 894 HB2 LEU 114 HB2 LEU 114 -13.259 6.441 1.522 895 HB3 LEU 114 HB3 LEU 114 -11.754 5.811 2.155 896 HG LEU 114 HG LEU 114 -14.133 4.054 1.401 897 HD11 LEU 114 HD11 LEU 114 -12.944 3.502 -0.677 898 HD12 LEU 114 HD12 LEU 114 -11.686 4.679 -0.288 899 HD13 LEU 114 HD13 LEU 114 -13.338 5.219 -0.601 900 HD21 LEU 114 HD21 LEU 114 -12.522 2.188 1.389 901 HD22 LEU 114 HD22 LEU 114 -12.611 2.941 2.979 902 HD23 LEU 114 HD23 LEU 114 -11.238 3.278 1.923 903 H TRP 115 H TRP 115 -11.064 6.472 4.313 904 HA TRP 115 HA TRP 115 -10.094 4.053 5.449 905 HB2 TRP 115 HB2 TRP 115 -8.997 6.857 5.890 906 HB3 TRP 115 HB3 TRP 115 -8.130 5.349 6.159 907 HD1 TRP 115 HD1 TRP 115 -7.701 7.949 3.939 908 HE1 TRP 115 HE1 TRP 115 -7.035 7.270 1.560 909 HE3 TRP 115 HE3 TRP 115 -9.114 3.009 4.045 910 HZ2 TRP 115 HZ2 TRP 115 -7.086 4.980 -0.065 911 HZ3 TRP 115 HZ3 TRP 115 -8.760 1.646 2.024 912 HH2 TRP 115 HH2 TRP 115 -7.763 2.614 0.007 913 H ASP 116 H ASP 116 -11.407 7.007 6.963 914 HA ASP 116 HA ASP 116 -11.043 6.291 9.680 915 HB2 ASP 116 HB2 ASP 116 -11.550 8.621 8.938 916 HB3 ASP 116 HB3 ASP 116 -13.179 8.126 8.501 917 H SER 117 H SER 117 -13.650 5.589 7.385 918 HA SER 117 HA SER 117 -15.530 4.450 9.188 919 HB2 SER 117 HB2 SER 117 -16.122 5.069 6.854 920 HB3 SER 117 HB3 SER 117 -15.103 3.770 6.239 921 HG SER 117 HG SER 117 -17.469 3.382 6.508 922 H GLN 118 H GLN 118 -12.754 3.065 7.449 923 HA GLN 118 HA GLN 118 -13.250 0.343 8.249 924 HB2 GLN 118 HB2 GLN 118 -10.636 1.529 7.226 925 HB3 GLN 118 HB3 GLN 118 -11.068 -0.178 7.280 926 HG2 GLN 118 HG2 GLN 118 -12.087 1.975 5.432 927 HG3 GLN 118 HG3 GLN 118 -11.350 0.432 5.021 928 HE21 GLN 118 HE21 GLN 118 -12.660 -1.499 5.299 929 HE22 GLN 118 HE22 GLN 118 -14.379 -1.391 5.241 930 H VAL 119 H VAL 119 -11.214 2.964 9.521 931 HA VAL 119 HA VAL 119 -9.990 1.404 11.618 932 HB VAL 119 HB VAL 119 -10.173 4.443 11.357 933 HG11 VAL 119 HG11 VAL 119 -9.663 3.775 13.684 934 HG12 VAL 119 HG12 VAL 119 -8.241 4.501 12.936 935 HG13 VAL 119 HG13 VAL 119 -8.343 2.748 13.118 936 HG21 VAL 119 HG21 VAL 119 -8.999 3.431 9.427 937 HG22 VAL 119 HG22 VAL 119 -7.923 2.561 10.522 938 HG23 VAL 119 HG23 VAL 119 -7.866 4.324 10.446 939 H SER 120 H SER 120 -12.891 3.356 11.327 940 HA SER 120 HA SER 120 -13.710 3.433 14.049 941 HB2 SER 120 HB2 SER 120 -14.770 4.893 12.361 942 HB3 SER 120 HB3 SER 120 -15.441 3.488 11.530 943 HG SER 120 HG SER 120 -17.079 3.954 12.807 944 H LYS 121 H LYS 121 -14.651 1.216 11.378 945 HA LYS 121 HA LYS 121 -16.068 -0.664 12.963 946 HB2 LYS 121 HB2 LYS 121 -16.309 -0.544 10.516 947 HB3 LYS 121 HB3 LYS 121 -14.640 -1.070 10.302 948 HG2 LYS 121 HG2 LYS 121 -15.224 -3.248 11.377 949 HG3 LYS 121 HG3 LYS 121 -16.901 -2.708 11.510 950 HD2 LYS 121 HD2 LYS 121 -17.058 -2.585 9.046 951 HD3 LYS 121 HD3 LYS 121 -15.366 -3.081 8.906 952 HE2 LYS 121 HE2 LYS 121 -15.953 -5.250 10.016 953 HE3 LYS 121 HE3 LYS 121 -17.646 -4.746 10.049 954 HZ1 LYS 121 HZ1 LYS 121 -17.639 -4.668 7.650 955 HZ2 LYS 121 HZ2 LYS 121 -17.146 -6.198 8.178 956 HZ3 LYS 121 HZ3 LYS 121 -16.009 -5.088 7.602 957 H LEU 122 H LEU 122 -12.658 -0.312 12.221 958 HA LEU 122 HA LEU 122 -11.600 -2.770 13.045 959 HB2 LEU 122 HB2 LEU 122 -10.386 -1.015 11.798 960 HB3 LEU 122 HB3 LEU 122 -10.370 -0.010 13.232 961 HG LEU 122 HG LEU 122 -8.911 -1.662 14.373 962 HD11 LEU 122 HD11 LEU 122 -7.862 -3.495 13.122 963 HD12 LEU 122 HD12 LEU 122 -8.884 -3.146 11.726 964 HD13 LEU 122 HD13 LEU 122 -9.611 -3.713 13.234 965 HD21 LEU 122 HD21 LEU 122 -7.932 0.259 13.190 966 HD22 LEU 122 HD22 LEU 122 -7.831 -0.689 11.703 967 HD23 LEU 122 HD23 LEU 122 -6.867 -1.145 13.110 968 H ARG 123 H ARG 123 -12.312 0.145 15.044 969 HA ARG 123 HA ARG 123 -11.419 -1.159 17.483 970 HB2 ARG 123 HB2 ARG 123 -12.144 0.878 18.652 971 HB3 ARG 123 HB3 ARG 123 -11.122 1.244 17.279 972 HG2 ARG 123 HG2 ARG 123 -12.747 2.927 17.209 973 HG3 ARG 123 HG3 ARG 123 -13.311 1.778 16.003 974 HD2 ARG 123 HD2 ARG 123 -14.963 0.895 17.602 975 HD3 ARG 123 HD3 ARG 123 -14.361 1.992 18.847 976 HE ARG 123 HE ARG 123 -15.148 3.513 16.625 977 HH11 ARG 123 HH11 ARG 123 -16.677 1.495 19.001 978 HH12 ARG 123 HH12 ARG 123 -18.124 2.433 19.016 979 HH21 ARG 123 HH21 ARG 123 -17.012 4.671 16.657 980 HH22 ARG 123 HH22 ARG 123 -18.319 4.195 17.681 981 H ARG 124 H ARG 124 -14.398 -1.076 15.719 982 HA ARG 124 HA ARG 124 -16.148 -1.814 17.895 983 HB2 ARG 124 HB2 ARG 124 -16.581 -2.105 14.883 984 HB3 ARG 124 HB3 ARG 124 -17.830 -2.279 16.117 985 HG2 ARG 124 HG2 ARG 124 -17.538 0.097 16.744 986 HG3 ARG 124 HG3 ARG 124 -16.282 0.257 15.519 987 HD2 ARG 124 HD2 ARG 124 -18.302 1.197 14.631 988 HD3 ARG 124 HD3 ARG 124 -17.980 -0.310 13.769 989 HE ARG 124 HE ARG 124 -19.686 -1.024 15.796 990 HH11 ARG 124 HH11 ARG 124 -19.883 1.244 13.177 991 HH12 ARG 124 HH12 ARG 124 -21.596 1.118 13.067 992 HH21 ARG 124 HH21 ARG 124 -21.861 -1.137 15.639 993 HH22 ARG 124 HH22 ARG 124 -22.710 -0.205 14.459 994 H THR 125 H THR 125 -14.386 -3.598 15.357 995 HA THR 125 HA THR 125 -15.250 -6.213 16.255 996 HB THR 125 HB THR 125 -14.701 -5.915 13.870 997 HG1 THR 125 HG1 THR 125 -14.241 -7.969 15.130 998 HG21 THR 125 HG21 THR 125 -12.863 -4.271 14.021 999 HG22 THR 125 HG22 THR 125 -12.387 -5.678 13.068 1000 HG23 THR 125 HG23 THR 125 -11.816 -5.506 14.729 1001 H CYS 126 H CYS 126 -12.348 -4.196 16.647 1002 HA CYS 126 HA CYS 126 -11.272 -6.071 18.681 1003 HB2 CYS 126 HB2 CYS 126 -9.829 -3.836 17.183 1004 HB3 CYS 126 HB3 CYS 126 -9.094 -4.942 18.345 1005 HG CYS 126 HG CYS 126 -8.242 -5.726 15.842 1006 H GLY 127 H GLY 127 -12.659 -5.363 20.344 1007 HA2 GLY 127 HA2 GLY 127 -13.324 -2.707 20.995 1008 HA3 GLY 127 HA3 GLY 127 -13.484 -4.090 22.060 1009 H PHE 128 H PHE 128 -10.501 -4.569 21.881 1010 HA PHE 128 HA PHE 128 -9.599 -3.067 24.114 1011 HB2 PHE 128 HB2 PHE 128 -8.688 -5.289 23.674 1012 HB3 PHE 128 HB3 PHE 128 -8.079 -4.778 22.105 1013 HD1 PHE 128 HD2 PHE 128 -7.731 -3.901 25.754 1014 HD2 PHE 128 HD1 PHE 128 -5.791 -4.188 21.947 1015 HE1 PHE 128 HE2 PHE 128 -5.590 -3.285 26.789 1016 HE2 PHE 128 HE1 PHE 128 -3.653 -3.566 22.997 1017 HZ PHE 128 HZ PHE 128 -3.552 -3.116 25.417 1018 H LEU 129 H LEU 129 -9.228 -2.600 20.623 1019 HA LEU 129 HA LEU 129 -7.292 -0.504 20.732 1020 HB2 LEU 129 HB2 LEU 129 -7.629 -1.736 18.651 1021 HB3 LEU 129 HB3 LEU 129 -9.311 -1.232 18.571 1022 HG LEU 129 HG LEU 129 -8.597 1.125 18.209 1023 HD11 LEU 129 HD11 LEU 129 -5.760 0.053 18.203 1024 HD12 LEU 129 HD12 LEU 129 -6.475 1.120 19.414 1025 HD13 LEU 129 HD13 LEU 129 -6.252 1.692 17.765 1026 HD21 LEU 129 HD21 LEU 129 -7.326 -0.799 16.232 1027 HD22 LEU 129 HD22 LEU 129 -7.761 0.882 15.915 1028 HD23 LEU 129 HD23 LEU 129 -9.022 -0.303 16.251 1029 H GLU 130 H GLU 130 -7.782 1.205 22.042 1030 HA GLU 130 HA GLU 130 -10.373 2.501 22.022 1031 HB2 GLU 130 HB2 GLU 130 -9.002 2.421 24.109 1032 HB3 GLU 130 HB3 GLU 130 -7.761 3.390 23.317 1033 HG2 GLU 130 HG2 GLU 130 -9.451 5.242 23.060 1034 HG3 GLU 130 HG3 GLU 130 -10.587 4.268 23.998 1035 H HIS 131 H HIS 131 -10.375 2.863 19.666 1036 HA HIS 131 HA HIS 131 -9.060 5.378 18.869 1037 HB2 HIS 131 HB2 HIS 131 -9.252 3.532 17.178 1038 HB3 HIS 131 HB3 HIS 131 -11.003 3.607 17.307 1039 HD1 HIS 131 HD1 HIS 131 -8.118 5.877 16.323 1040 HD2 HIS 131 HD2 HIS 131 -12.146 5.309 15.498 1041 HE1 HIS 131 HE1 HIS 131 -8.635 7.452 14.450 1042 HE2 HIS 131 HE2 HIS 131 -11.115 7.218 14.089 1043 H HIS 132 H HIS 132 -10.035 6.493 20.637 1044 HA HIS 132 HA HIS 132 -12.866 6.559 21.102 1045 HB2 HIS 132 HB2 HIS 132 -11.124 6.773 22.916 1046 HB3 HIS 132 HB3 HIS 132 -10.704 8.358 22.291 1047 HD1 HIS 132 HD1 HIS 132 -13.227 6.575 24.361 1048 HD2 HIS 132 HD2 HIS 132 -12.634 10.397 22.845 1049 HE1 HIS 132 HE1 HIS 132 -14.840 8.045 25.592 1050 HE2 HIS 132 HE2 HIS 132 -14.609 10.297 24.513 1051 H HIS 133 H HIS 133 -13.713 7.261 19.120 1052 HA HIS 133 HA HIS 133 -13.995 10.144 18.861 1053 HB2 HIS 133 HB2 HIS 133 -12.039 9.574 17.371 1054 HB3 HIS 133 HB3 HIS 133 -13.081 8.490 16.457 1055 HD1 HIS 133 HD1 HIS 133 -12.164 12.053 16.843 1056 HD2 HIS 133 HD2 HIS 133 -15.063 9.846 14.857 1057 HE1 HIS 133 HE1 HIS 133 -13.180 13.631 15.184 1058 HE2 HIS 133 HE2 HIS 133 -14.732 12.190 13.824 1059 H HIS 134 H HIS 134 -16.169 10.113 19.214 1060 HA HIS 134 HA HIS 134 -17.919 8.315 17.665 1061 HB2 HIS 134 HB2 HIS 134 -19.750 9.117 19.129 1062 HB3 HIS 134 HB3 HIS 134 -18.408 8.470 20.064 1063 HD1 HIS 134 HD1 HIS 134 -20.002 11.779 19.137 1064 HD2 HIS 134 HD2 HIS 134 -17.330 10.228 21.912 1065 HE1 HIS 134 HE1 HIS 134 -19.629 13.615 20.802 1066 HE2 HIS 134 HE2 HIS 134 -17.923 12.694 22.401 1067 H HIS 135 H HIS 135 -19.365 9.042 16.150 1068 HA HIS 135 HA HIS 135 -19.826 11.870 15.632 1069 HB2 HIS 135 HB2 HIS 135 -17.706 11.397 14.384 1070 HB3 HIS 135 HB3 HIS 135 -18.516 10.113 13.492 1071 HD1 HIS 135 HD1 HIS 135 -20.050 10.805 11.564 1072 HD2 HIS 135 HD2 HIS 135 -18.453 14.044 13.615 1073 HE1 HIS 135 HE1 HIS 135 -20.617 12.815 10.181 1074 HE2 HIS 135 HE2 HIS 135 -19.812 14.766 11.534 1075 H HIS 136 H HIS 136 -21.890 12.146 14.987 1076 HA HIS 136 HA HIS 136 -23.681 9.950 14.507 1077 HB2 HIS 136 HB2 HIS 136 -24.164 12.945 14.145 1078 HB3 HIS 136 HB3 HIS 136 -25.415 11.707 14.199 1079 HD1 HIS 136 HD1 HIS 136 -23.653 14.054 16.310 1080 HD2 HIS 136 HD2 HIS 136 -25.492 10.365 16.861 1081 HE1 HIS 136 HE1 HIS 136 -24.079 13.880 18.770 1082 HE2 HIS 136 HE2 HIS 136 -25.006 11.568 19.100 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -4.972 24.011 -7.629 2 H2 MET 1 H2 MET 1 -4.897 22.334 -7.476 3 H3 MET 1 H3 MET 1 -3.641 23.167 -8.237 4 HA MET 1 HA MET 1 -3.042 24.253 -6.206 5 HB2 MET 1 HB2 MET 1 -5.319 22.629 -4.992 6 HB3 MET 1 HB3 MET 1 -4.132 23.523 -4.048 7 HG2 MET 1 HG2 MET 1 -6.159 24.817 -4.176 8 HG3 MET 1 HG3 MET 1 -4.918 25.630 -5.128 9 HE1 MET 1 HE1 MET 1 -7.168 22.464 -6.086 10 HE2 MET 1 HE2 MET 1 -8.478 23.278 -6.940 11 HE3 MET 1 HE3 MET 1 -8.256 23.543 -5.210 12 H LYS 2 H LYS 2 -1.670 23.230 -4.548 13 HA LYS 2 HA LYS 2 -0.674 20.604 -5.436 14 HB2 LYS 2 HB2 LYS 2 0.584 22.776 -3.706 15 HB3 LYS 2 HB3 LYS 2 1.368 21.242 -4.098 16 HG2 LYS 2 HG2 LYS 2 1.289 21.801 -6.500 17 HG3 LYS 2 HG3 LYS 2 0.477 23.326 -6.126 18 HD2 LYS 2 HD2 LYS 2 2.468 24.079 -4.876 19 HD3 LYS 2 HD3 LYS 2 3.282 22.548 -5.228 20 HE2 LYS 2 HE2 LYS 2 3.220 23.065 -7.641 21 HE3 LYS 2 HE3 LYS 2 2.361 24.571 -7.309 22 HZ1 LYS 2 HZ1 LYS 2 5.105 23.901 -6.407 23 HZ2 LYS 2 HZ2 LYS 2 4.289 25.347 -6.078 24 HZ3 LYS 2 HZ3 LYS 2 4.703 24.948 -7.668 25 H LYS 3 H LYS 3 -0.157 18.934 -3.916 26 HA LYS 3 HA LYS 3 -2.388 18.644 -2.046 27 HB2 LYS 3 HB2 LYS 3 -0.527 16.531 -3.229 28 HB3 LYS 3 HB3 LYS 3 -1.988 16.221 -2.288 29 HG2 LYS 3 HG2 LYS 3 -3.217 17.585 -4.126 30 HG3 LYS 3 HG3 LYS 3 -1.759 17.357 -5.089 31 HD2 LYS 3 HD2 LYS 3 -3.358 15.066 -3.881 32 HD3 LYS 3 HD3 LYS 3 -3.666 15.709 -5.493 33 HE2 LYS 3 HE2 LYS 3 -1.356 15.086 -6.173 34 HE3 LYS 3 HE3 LYS 3 -1.058 14.451 -4.553 35 HZ1 LYS 3 HZ1 LYS 3 -3.179 13.450 -6.371 36 HZ2 LYS 3 HZ2 LYS 3 -2.725 12.792 -4.884 37 HZ3 LYS 3 HZ3 LYS 3 -1.656 12.742 -6.202 38 H GLU 4 H GLU 4 -2.224 17.755 0.021 39 HA GLU 4 HA GLU 4 0.324 18.148 1.456 40 HB2 GLU 4 HB2 GLU 4 -1.655 19.318 2.337 41 HB3 GLU 4 HB3 GLU 4 -2.544 17.800 2.438 42 HG2 GLU 4 HG2 GLU 4 -0.893 17.006 4.157 43 HG3 GLU 4 HG3 GLU 4 -0.118 18.590 4.096 44 H LYS 5 H LYS 5 1.308 16.505 2.599 45 HA LYS 5 HA LYS 5 0.843 13.761 1.960 46 HB2 LYS 5 HB2 LYS 5 3.086 14.669 2.470 47 HB3 LYS 5 HB3 LYS 5 2.570 15.054 4.109 48 HG2 LYS 5 HG2 LYS 5 2.150 12.540 4.410 49 HG3 LYS 5 HG3 LYS 5 2.999 12.320 2.879 50 HD2 LYS 5 HD2 LYS 5 4.586 11.944 4.642 51 HD3 LYS 5 HD3 LYS 5 4.994 13.490 3.900 52 HE2 LYS 5 HE2 LYS 5 3.354 13.255 6.450 53 HE3 LYS 5 HE3 LYS 5 5.106 13.414 6.444 54 HZ1 LYS 5 HZ1 LYS 5 3.135 15.394 5.457 55 HZ2 LYS 5 HZ2 LYS 5 4.805 15.544 5.265 56 HZ3 LYS 5 HZ3 LYS 5 4.135 15.528 6.815 57 H ILE 6 H ILE 6 -0.183 12.176 3.140 58 HA ILE 6 HA ILE 6 -1.199 12.644 5.860 59 HB ILE 6 HB ILE 6 -3.468 11.838 5.373 60 HG12 ILE 6 HG12 ILE 6 -2.583 11.634 2.454 61 HG13 ILE 6 HG13 ILE 6 -3.055 10.301 3.515 62 HG21 ILE 6 HG21 ILE 6 -2.797 14.123 3.479 63 HG22 ILE 6 HG22 ILE 6 -3.132 14.276 5.203 64 HG23 ILE 6 HG23 ILE 6 -4.404 13.738 4.107 65 HD11 ILE 6 HD11 ILE 6 -4.793 10.818 1.913 66 HD12 ILE 6 HD12 ILE 6 -4.873 12.482 2.483 67 HD13 ILE 6 HD13 ILE 6 -5.349 11.158 3.551 68 H HIS 7 H HIS 7 -0.980 10.789 7.117 69 HA HIS 7 HA HIS 7 -0.451 8.211 5.742 70 HB2 HIS 7 HB2 HIS 7 0.653 7.509 7.885 71 HB3 HIS 7 HB3 HIS 7 1.432 8.867 7.089 72 HD1 HIS 7 HD1 HIS 7 -0.652 8.025 10.109 73 HD2 HIS 7 HD2 HIS 7 1.573 11.197 8.617 74 HE1 HIS 7 HE1 HIS 7 -0.470 9.658 11.999 75 HE2 HIS 7 HE2 HIS 7 0.866 11.573 11.076 76 H LEU 8 H LEU 8 -1.951 6.676 5.813 77 HA LEU 8 HA LEU 8 -4.187 6.780 7.726 78 HB2 LEU 8 HB2 LEU 8 -3.837 5.392 5.046 79 HB3 LEU 8 HB3 LEU 8 -5.127 4.933 6.144 80 HG LEU 8 HG LEU 8 -6.018 7.276 6.035 81 HD11 LEU 8 HD11 LEU 8 -3.964 7.691 3.848 82 HD12 LEU 8 HD12 LEU 8 -3.999 8.495 5.421 83 HD13 LEU 8 HD13 LEU 8 -5.287 8.791 4.253 84 HD21 LEU 8 HD21 LEU 8 -5.812 5.828 3.379 85 HD22 LEU 8 HD22 LEU 8 -7.020 7.043 3.806 86 HD23 LEU 8 HD23 LEU 8 -6.983 5.505 4.663 87 H GLU 9 H GLU 9 -4.204 5.368 9.401 88 HA GLU 9 HA GLU 9 -2.253 3.116 9.421 89 HB2 GLU 9 HB2 GLU 9 -1.793 4.923 11.062 90 HB3 GLU 9 HB3 GLU 9 -3.380 4.688 11.789 91 HG2 GLU 9 HG2 GLU 9 -2.729 2.396 12.463 92 HG3 GLU 9 HG3 GLU 9 -1.150 2.623 11.715 93 H TYR 10 H TYR 10 -2.956 1.104 9.642 94 HA TYR 10 HA TYR 10 -5.659 0.483 10.707 95 HB2 TYR 10 HB2 TYR 10 -4.287 -1.034 8.430 96 HB3 TYR 10 HB3 TYR 10 -5.930 -1.258 9.021 97 HD1 TYR 10 HD1 TYR 10 -7.651 0.626 8.628 98 HD2 TYR 10 HD2 TYR 10 -3.827 0.574 6.696 99 HE1 TYR 10 HE1 TYR 10 -8.470 2.228 6.949 100 HE2 TYR 10 HE2 TYR 10 -4.652 2.173 5.013 101 HH TYR 10 HH TYR 10 -6.783 2.920 4.067 102 H LEU 11 H LEU 11 -5.611 -1.096 12.308 103 HA LEU 11 HA LEU 11 -2.978 -2.238 13.008 104 HB2 LEU 11 HB2 LEU 11 -3.923 -2.705 15.244 105 HB3 LEU 11 HB3 LEU 11 -3.944 -1.004 14.838 106 HG LEU 11 HG LEU 11 -6.459 -2.716 14.598 107 HD11 LEU 11 HD11 LEU 11 -5.673 -2.915 16.909 108 HD12 LEU 11 HD12 LEU 11 -7.141 -1.944 16.819 109 HD13 LEU 11 HD13 LEU 11 -5.576 -1.156 17.045 110 HD21 LEU 11 HD21 LEU 11 -6.525 -0.534 13.438 111 HD22 LEU 11 HD22 LEU 11 -6.123 0.286 14.948 112 HD23 LEU 11 HD23 LEU 11 -7.653 -0.582 14.794 113 H LEU 12 H LEU 12 -2.691 -4.136 11.950 114 HA LEU 12 HA LEU 12 -4.932 -5.825 11.252 115 HB2 LEU 12 HB2 LEU 12 -2.007 -5.800 10.581 116 HB3 LEU 12 HB3 LEU 12 -2.853 -7.326 10.403 117 HG LEU 12 HG LEU 12 -2.757 -6.083 8.274 118 HD11 LEU 12 HD11 LEU 12 -4.626 -7.607 8.655 119 HD12 LEU 12 HD12 LEU 12 -5.126 -6.238 7.667 120 HD13 LEU 12 HD13 LEU 12 -5.578 -6.303 9.375 121 HD21 LEU 12 HD21 LEU 12 -3.994 -3.997 7.946 122 HD22 LEU 12 HD22 LEU 12 -2.730 -3.791 9.155 123 HD23 LEU 12 HD23 LEU 12 -4.414 -3.947 9.661 124 H ASN 13 H ASN 13 -5.836 -7.141 12.599 125 HA ASN 13 HA ASN 13 -4.344 -8.475 14.770 126 HB2 ASN 13 HB2 ASN 13 -7.346 -8.025 14.461 127 HB3 ASN 13 HB3 ASN 13 -6.572 -8.783 15.852 128 HD21 ASN 13 HD21 ASN 13 -5.152 -7.436 17.143 129 HD22 ASN 13 HD22 ASN 13 -5.392 -5.729 17.204 130 H ALA 14 H ALA 14 -4.424 -10.676 15.053 131 HA ALA 14 HA ALA 14 -4.654 -12.877 14.711 132 HB1 ALA 14 HB1 ALA 14 -6.910 -12.275 12.782 133 HB2 ALA 14 HB2 ALA 14 -7.076 -12.517 14.520 134 HB3 ALA 14 HB3 ALA 14 -6.535 -13.848 13.496 135 H THR 15 H THR 15 -4.718 -11.067 11.599 136 HA THR 15 HA THR 15 -3.350 -12.971 10.013 137 HB THR 15 HB THR 15 -2.802 -11.032 8.505 138 HG1 THR 15 HG1 THR 15 -3.702 -8.952 9.180 139 HG21 THR 15 HG21 THR 15 -5.137 -10.346 7.993 140 HG22 THR 15 HG22 THR 15 -5.673 -11.032 9.527 141 HG23 THR 15 HG23 THR 15 -5.023 -12.085 8.267 142 H SER 16 H SER 16 -1.986 -9.910 11.311 143 HA SER 16 HA SER 16 -0.037 -9.308 12.268 144 HB2 SER 16 HB2 SER 16 -0.123 -12.188 13.256 145 HB3 SER 16 HB3 SER 16 0.930 -10.932 13.925 146 HG SER 16 HG SER 16 -0.891 -9.787 14.548 147 H LYS 17 H LYS 17 0.225 -10.456 9.484 148 HA LYS 17 HA LYS 17 3.117 -11.157 9.557 149 HB2 LYS 17 HB2 LYS 17 0.990 -12.086 7.574 150 HB3 LYS 17 HB3 LYS 17 2.722 -12.348 7.350 151 HG2 LYS 17 HG2 LYS 17 2.739 -13.625 9.521 152 HG3 LYS 17 HG3 LYS 17 0.980 -13.462 9.576 153 HD2 LYS 17 HD2 LYS 17 0.755 -14.759 7.507 154 HD3 LYS 17 HD3 LYS 17 2.511 -14.824 7.320 155 HE2 LYS 17 HE2 LYS 17 2.638 -16.098 9.484 156 HE3 LYS 17 HE3 LYS 17 0.873 -16.131 9.527 157 HZ1 LYS 17 HZ1 LYS 17 1.894 -18.166 8.633 158 HZ2 LYS 17 HZ2 LYS 17 2.530 -17.281 7.341 159 HZ3 LYS 17 HZ3 LYS 17 0.852 -17.424 7.526 160 H ASN 18 H ASN 18 4.493 -10.242 8.005 161 HA ASN 18 HA ASN 18 3.820 -7.687 6.872 162 HB2 ASN 18 HB2 ASN 18 6.102 -7.661 6.022 163 HB3 ASN 18 HB3 ASN 18 6.106 -8.279 7.666 164 HD21 ASN 18 HD21 ASN 18 8.029 -8.619 5.416 165 HD22 ASN 18 HD22 ASN 18 8.239 -10.324 5.270 166 H ILE 19 H ILE 19 3.780 -10.921 5.741 167 HA ILE 19 HA ILE 19 4.171 -10.813 2.999 168 HB ILE 19 HB ILE 19 2.386 -12.695 4.599 169 HG12 ILE 19 HG12 ILE 19 5.316 -13.137 3.863 170 HG13 ILE 19 HG13 ILE 19 4.846 -12.359 5.364 171 HG21 ILE 19 HG21 ILE 19 3.705 -13.183 1.900 172 HG22 ILE 19 HG22 ILE 19 1.975 -12.986 2.192 173 HG23 ILE 19 HG23 ILE 19 2.825 -14.387 2.846 174 HD11 ILE 19 HD11 ILE 19 5.375 -14.660 5.719 175 HD12 ILE 19 HD12 ILE 19 4.169 -15.167 4.535 176 HD13 ILE 19 HD13 ILE 19 3.665 -14.381 6.037 177 H LEU 20 H LEU 20 1.326 -9.899 4.797 178 HA LEU 20 HA LEU 20 -0.829 -9.931 3.113 179 HB2 LEU 20 HB2 LEU 20 0.033 -7.597 4.867 180 HB3 LEU 20 HB3 LEU 20 -1.604 -7.863 4.279 181 HG LEU 20 HG LEU 20 -0.133 -9.736 6.190 182 HD11 LEU 20 HD11 LEU 20 -0.515 -7.574 7.267 183 HD12 LEU 20 HD12 LEU 20 -1.555 -8.819 7.965 184 HD13 LEU 20 HD13 LEU 20 -2.232 -7.641 6.837 185 HD21 LEU 20 HD21 LEU 20 -3.058 -9.697 5.360 186 HD22 LEU 20 HD22 LEU 20 -2.333 -10.768 6.563 187 HD23 LEU 20 HD23 LEU 20 -1.854 -10.894 4.873 188 H TRP 21 H TRP 21 1.327 -7.069 3.330 189 HA TRP 21 HA TRP 21 0.621 -6.259 0.589 190 HB2 TRP 21 HB2 TRP 21 1.714 -4.777 2.977 191 HB3 TRP 21 HB3 TRP 21 1.945 -4.114 1.365 192 HD1 TRP 21 HD1 TRP 21 -0.797 -4.715 3.977 193 HE1 TRP 21 HE1 TRP 21 -2.869 -3.353 3.291 194 HE3 TRP 21 HE3 TRP 21 0.659 -3.302 -0.714 195 HZ2 TRP 21 HZ2 TRP 21 -3.779 -1.875 1.063 196 HZ3 TRP 21 HZ3 TRP 21 -0.871 -1.928 -2.067 197 HH2 TRP 21 HH2 TRP 21 -3.049 -1.236 -1.196 198 H SER 22 H SER 22 3.307 -7.601 2.365 199 HA SER 22 HA SER 22 5.480 -6.729 0.793 200 HB2 SER 22 HB2 SER 22 5.812 -7.891 2.938 201 HB3 SER 22 HB3 SER 22 5.186 -9.387 2.253 202 HG SER 22 HG SER 22 7.678 -8.540 2.256 203 H ALA 23 H ALA 23 2.959 -8.903 -0.043 204 HA ALA 23 HA ALA 23 4.032 -10.513 -2.076 205 HB1 ALA 23 HB1 ALA 23 1.770 -10.767 -1.129 206 HB2 ALA 23 HB2 ALA 23 1.722 -10.685 -2.891 207 HB3 ALA 23 HB3 ALA 23 1.268 -9.276 -1.928 208 H ILE 24 H ILE 24 3.253 -7.070 -2.172 209 HA ILE 24 HA ILE 24 3.052 -6.816 -5.006 210 HB ILE 24 HB ILE 24 2.912 -4.405 -4.697 211 HG12 ILE 24 HG12 ILE 24 3.886 -4.949 -1.861 212 HG13 ILE 24 HG13 ILE 24 4.665 -3.957 -3.078 213 HG21 ILE 24 HG21 ILE 24 0.965 -4.296 -3.180 214 HG22 ILE 24 HG22 ILE 24 1.387 -5.875 -2.513 215 HG23 ILE 24 HG23 ILE 24 0.900 -5.731 -4.205 216 HD11 ILE 24 HD11 ILE 24 3.679 -2.585 -1.382 217 HD12 ILE 24 HD12 ILE 24 2.109 -3.347 -1.611 218 HD13 ILE 24 HD13 ILE 24 2.799 -2.342 -2.892 219 H SER 25 H SER 25 5.783 -7.144 -3.038 220 HA SER 25 HA SER 25 7.649 -5.649 -4.682 221 HB2 SER 25 HB2 SER 25 9.379 -6.556 -3.237 222 HB3 SER 25 HB3 SER 25 8.002 -6.126 -2.228 223 HG SER 25 HG SER 25 7.852 -8.129 -1.641 224 H THR 26 H THR 26 6.369 -8.912 -4.615 225 HA THR 26 HA THR 26 8.264 -9.863 -6.670 226 HB THR 26 HB THR 26 7.231 -12.141 -6.242 227 HG1 THR 26 HG1 THR 26 5.454 -10.694 -4.858 228 HG21 THR 26 HG21 THR 26 9.339 -11.530 -5.146 229 HG22 THR 26 HG22 THR 26 8.347 -12.526 -4.078 230 HG23 THR 26 HG23 THR 26 8.453 -10.782 -3.815 231 HA PRO 27 HA PRO 27 5.219 -9.651 -10.043 232 HB2 PRO 27 HB2 PRO 27 6.063 -11.954 -11.416 233 HB3 PRO 27 HB3 PRO 27 6.809 -10.357 -11.574 234 HG2 PRO 27 HG2 PRO 27 7.627 -12.666 -9.788 235 HG3 PRO 27 HG3 PRO 27 8.644 -11.645 -10.838 236 HD2 PRO 27 HD2 PRO 27 8.563 -11.183 -8.234 237 HD3 PRO 27 HD3 PRO 27 8.506 -9.804 -9.356 238 H THR 28 H THR 28 5.835 -13.043 -9.000 239 HA THR 28 HA THR 28 3.355 -14.174 -9.432 240 HB THR 28 HB THR 28 4.038 -15.925 -7.773 241 HG1 THR 28 HG1 THR 28 5.810 -15.634 -6.492 242 HG21 THR 28 HG21 THR 28 6.145 -16.626 -8.861 243 HG22 THR 28 HG22 THR 28 6.337 -15.014 -9.555 244 HG23 THR 28 HG23 THR 28 4.991 -16.042 -10.058 245 H GLY 29 H GLY 29 4.529 -12.675 -6.404 246 HA2 GLY 29 HA2 GLY 29 2.253 -13.140 -4.789 247 HA3 GLY 29 HA3 GLY 29 3.474 -11.902 -4.524 248 H LEU 30 H LEU 30 3.090 -10.385 -6.884 249 HA LEU 30 HA LEU 30 0.903 -8.725 -6.175 250 HB2 LEU 30 HB2 LEU 30 3.142 -8.551 -7.949 251 HB3 LEU 30 HB3 LEU 30 1.723 -8.197 -8.917 252 HG LEU 30 HG LEU 30 2.557 -6.733 -6.406 253 HD11 LEU 30 HD11 LEU 30 2.676 -5.823 -9.282 254 HD12 LEU 30 HD12 LEU 30 4.053 -6.227 -8.255 255 HD13 LEU 30 HD13 LEU 30 3.048 -4.831 -7.869 256 HD21 LEU 30 HD21 LEU 30 0.767 -5.136 -6.904 257 HD22 LEU 30 HD22 LEU 30 0.127 -6.749 -6.592 258 HD23 LEU 30 HD23 LEU 30 0.235 -6.149 -8.250 259 H GLU 31 H GLU 31 1.294 -10.887 -9.074 260 HA GLU 31 HA GLU 31 -1.363 -10.389 -10.012 261 HB2 GLU 31 HB2 GLU 31 -1.012 -12.163 -11.674 262 HB3 GLU 31 HB3 GLU 31 0.323 -11.021 -11.635 263 HG2 GLU 31 HG2 GLU 31 1.760 -12.583 -10.534 264 HG3 GLU 31 HG3 GLU 31 0.422 -13.681 -10.195 265 H ASP 32 H ASP 32 -0.394 -12.293 -7.439 266 HA ASP 32 HA ASP 32 -2.404 -14.291 -7.472 267 HB2 ASP 32 HB2 ASP 32 -0.419 -14.317 -5.956 268 HB3 ASP 32 HB3 ASP 32 -1.077 -12.936 -5.080 269 H TRP 33 H TRP 33 -2.458 -10.855 -6.602 270 HA TRP 33 HA TRP 33 -5.384 -10.953 -6.215 271 HB2 TRP 33 HB2 TRP 33 -5.294 -9.650 -4.143 272 HB3 TRP 33 HB3 TRP 33 -4.395 -11.144 -3.951 273 HD1 TRP 33 HD1 TRP 33 -1.523 -10.498 -4.789 274 HE1 TRP 33 HE1 TRP 33 -0.103 -8.738 -3.582 275 HE3 TRP 33 HE3 TRP 33 -5.269 -7.731 -2.661 276 HZ2 TRP 33 HZ2 TRP 33 -0.492 -6.483 -1.930 277 HZ3 TRP 33 HZ3 TRP 33 -4.657 -5.787 -1.272 278 HH2 TRP 33 HH2 TRP 33 -2.311 -5.173 -0.912 279 H PHE 34 H PHE 34 -3.120 -9.604 -8.062 280 HA PHE 34 HA PHE 34 -4.783 -7.294 -8.730 281 HB2 PHE 34 HB2 PHE 34 -3.187 -6.307 -7.074 282 HB3 PHE 34 HB3 PHE 34 -1.836 -6.909 -8.014 283 HD1 PHE 34 HD2 PHE 34 -4.857 -4.683 -8.380 284 HD2 PHE 34 HD1 PHE 34 -0.842 -5.485 -9.640 285 HE1 PHE 34 HE2 PHE 34 -4.869 -2.638 -9.752 286 HE2 PHE 34 HE1 PHE 34 -0.868 -3.447 -11.014 287 HZ PHE 34 HZ PHE 34 -2.879 -2.019 -11.071 288 H ALA 35 H ALA 35 -4.820 -7.003 -10.915 289 HA ALA 35 HA ALA 35 -4.431 -7.168 -13.146 290 HB1 ALA 35 HB1 ALA 35 -1.545 -7.785 -12.413 291 HB2 ALA 35 HB2 ALA 35 -2.215 -6.182 -12.716 292 HB3 ALA 35 HB3 ALA 35 -2.137 -7.364 -14.024 293 H ASP 36 H ASP 36 -4.634 -8.758 -14.762 294 HA ASP 36 HA ASP 36 -4.974 -11.491 -14.149 295 HB2 ASP 36 HB2 ASP 36 -4.303 -10.186 -16.826 296 HB3 ASP 36 HB3 ASP 36 -4.809 -11.865 -16.645 297 H LYS 37 H LYS 37 -2.174 -9.723 -15.373 298 HA LYS 37 HA LYS 37 -0.353 -11.890 -14.596 299 HB2 LYS 37 HB2 LYS 37 -0.789 -12.288 -16.978 300 HB3 LYS 37 HB3 LYS 37 -0.388 -10.612 -17.358 301 HG2 LYS 37 HG2 LYS 37 1.911 -10.935 -16.749 302 HG3 LYS 37 HG3 LYS 37 1.574 -12.538 -16.093 303 HD2 LYS 37 HD2 LYS 37 1.279 -11.779 -19.018 304 HD3 LYS 37 HD3 LYS 37 2.705 -12.552 -18.323 305 HE2 LYS 37 HE2 LYS 37 -0.098 -13.723 -18.426 306 HE3 LYS 37 HE3 LYS 37 1.285 -14.226 -19.398 307 HZ1 LYS 37 HZ1 LYS 37 2.413 -14.894 -17.357 308 HZ2 LYS 37 HZ2 LYS 37 0.945 -15.717 -17.548 309 HZ3 LYS 37 HZ3 LYS 37 1.064 -14.441 -16.445 310 H VAL 38 H VAL 38 1.451 -11.176 -13.698 311 HA VAL 38 HA VAL 38 2.371 -8.385 -14.072 312 HB VAL 38 HB VAL 38 2.380 -9.973 -11.452 313 HG11 VAL 38 HG11 VAL 38 3.480 -7.189 -12.000 314 HG12 VAL 38 HG12 VAL 38 4.429 -8.633 -11.635 315 HG13 VAL 38 HG13 VAL 38 3.359 -7.952 -10.412 316 HG21 VAL 38 HG21 VAL 38 0.157 -9.023 -11.950 317 HG22 VAL 38 HG22 VAL 38 0.867 -7.422 -12.156 318 HG23 VAL 38 HG23 VAL 38 0.894 -8.202 -10.573 319 H VAL 39 H VAL 39 4.078 -8.721 -15.366 320 HA VAL 39 HA VAL 39 6.133 -10.758 -14.775 321 HB VAL 39 HB VAL 39 5.780 -8.903 -17.180 322 HG11 VAL 39 HG11 VAL 39 7.827 -11.129 -16.803 323 HG12 VAL 39 HG12 VAL 39 8.173 -9.400 -16.896 324 HG13 VAL 39 HG13 VAL 39 7.544 -10.249 -18.308 325 HG21 VAL 39 HG21 VAL 39 4.042 -10.649 -17.074 326 HG22 VAL 39 HG22 VAL 39 5.283 -11.898 -16.942 327 HG23 VAL 39 HG23 VAL 39 5.142 -10.948 -18.423 328 H SER 40 H SER 40 8.053 -10.201 -13.835 329 HA SER 40 HA SER 40 8.740 -7.339 -13.462 330 HB2 SER 40 HB2 SER 40 8.726 -8.717 -11.411 331 HB3 SER 40 HB3 SER 40 9.914 -9.813 -12.116 332 HG SER 40 HG SER 40 10.694 -8.072 -10.658 333 H ASP 41 H ASP 41 10.105 -6.467 -14.877 334 HA ASP 41 HA ASP 41 11.766 -7.937 -16.682 335 HB2 ASP 41 HB2 ASP 41 10.762 -5.736 -17.261 336 HB3 ASP 41 HB3 ASP 41 11.736 -4.953 -16.021 337 H ASP 42 H ASP 42 12.793 -5.452 -14.294 338 HA ASP 42 HA ASP 42 14.742 -7.094 -12.992 339 HB2 ASP 42 HB2 ASP 42 15.914 -6.623 -15.204 340 HB3 ASP 42 HB3 ASP 42 15.874 -4.909 -14.816 341 H LYS 43 H LYS 43 14.781 -3.624 -13.834 342 HA LYS 43 HA LYS 43 14.411 -2.832 -11.014 343 HB2 LYS 43 HB2 LYS 43 15.266 -1.252 -13.482 344 HB3 LYS 43 HB3 LYS 43 15.094 -0.558 -11.870 345 HG2 LYS 43 HG2 LYS 43 16.932 -1.910 -11.028 346 HG3 LYS 43 HG3 LYS 43 17.023 -2.807 -12.545 347 HD2 LYS 43 HD2 LYS 43 18.831 -1.151 -12.420 348 HD3 LYS 43 HD3 LYS 43 17.720 -0.755 -13.733 349 HE2 LYS 43 HE2 LYS 43 16.640 0.953 -12.270 350 HE3 LYS 43 HE3 LYS 43 17.797 0.572 -10.993 351 HZ1 LYS 43 HZ1 LYS 43 19.569 1.221 -12.574 352 HZ2 LYS 43 HZ2 LYS 43 18.539 2.489 -12.144 353 HZ3 LYS 43 HZ3 LYS 43 18.379 1.742 -13.654 354 H THR 44 H THR 44 12.516 -3.452 -13.657 355 HA THR 44 HA THR 44 10.368 -1.588 -12.838 356 HB THR 44 HB THR 44 11.182 -2.212 -15.718 357 HG1 THR 44 HG1 THR 44 12.183 -0.356 -15.619 358 HG21 THR 44 HG21 THR 44 9.376 -0.682 -16.418 359 HG22 THR 44 HG22 THR 44 8.852 -0.510 -14.743 360 HG23 THR 44 HG23 THR 44 8.712 -2.070 -15.558 361 H VAL 45 H VAL 45 8.282 -2.407 -12.972 362 HA VAL 45 HA VAL 45 7.936 -5.305 -13.490 363 HB VAL 45 HB VAL 45 6.407 -3.527 -11.525 364 HG11 VAL 45 HG11 VAL 45 4.983 -5.333 -12.383 365 HG12 VAL 45 HG12 VAL 45 5.409 -5.647 -10.700 366 HG13 VAL 45 HG13 VAL 45 6.226 -6.526 -11.994 367 HG21 VAL 45 HG21 VAL 45 7.563 -4.804 -9.737 368 HG22 VAL 45 HG22 VAL 45 8.716 -3.926 -10.746 369 HG23 VAL 45 HG23 VAL 45 8.503 -5.667 -10.960 370 H THR 46 H THR 46 6.768 -5.676 -15.299 371 HA THR 46 HA THR 46 4.991 -3.673 -16.493 372 HB THR 46 HB THR 46 6.045 -6.310 -17.612 373 HG1 THR 46 HG1 THR 46 7.793 -5.157 -17.870 374 HG21 THR 46 HG21 THR 46 5.347 -5.454 -19.818 375 HG22 THR 46 HG22 THR 46 4.661 -4.016 -19.063 376 HG23 THR 46 HG23 THR 46 3.946 -5.598 -18.750 377 H PHE 47 H PHE 47 2.828 -3.803 -16.053 378 HA PHE 47 HA PHE 47 1.507 -6.351 -15.376 379 HB2 PHE 47 HB2 PHE 47 0.195 -3.599 -15.480 380 HB3 PHE 47 HB3 PHE 47 -0.371 -5.033 -14.628 381 HD1 PHE 47 HD1 PHE 47 1.209 -5.930 -12.725 382 HD2 PHE 47 HD2 PHE 47 1.378 -1.972 -14.305 383 HE1 PHE 47 HE1 PHE 47 2.351 -5.162 -10.690 384 HE2 PHE 47 HE2 PHE 47 2.521 -1.203 -12.262 385 HZ PHE 47 HZ PHE 47 3.009 -2.803 -10.445 386 H CYS 48 H CYS 48 0.954 -7.507 -17.200 387 HA CYS 48 HA CYS 48 -0.016 -6.078 -19.626 388 HB2 CYS 48 HB2 CYS 48 1.084 -8.897 -19.276 389 HB3 CYS 48 HB3 CYS 48 0.434 -8.278 -20.796 390 HG CYS 48 HG CYS 48 3.165 -8.192 -21.074 391 H TRP 49 H TRP 49 -2.173 -5.865 -19.632 392 HA TRP 49 HA TRP 49 -4.032 -7.928 -19.861 393 HB2 TRP 49 HB2 TRP 49 -5.284 -7.881 -17.754 394 HB3 TRP 49 HB3 TRP 49 -3.628 -8.380 -17.447 395 HD1 TRP 49 HD1 TRP 49 -1.990 -6.252 -16.439 396 HE1 TRP 49 HE1 TRP 49 -2.638 -4.528 -14.645 397 HE3 TRP 49 HE3 TRP 49 -7.081 -6.558 -16.800 398 HZ2 TRP 49 HZ2 TRP 49 -4.975 -3.428 -13.536 399 HZ3 TRP 49 HZ3 TRP 49 -8.458 -5.127 -15.339 400 HH2 TRP 49 HH2 TRP 49 -7.423 -3.590 -13.737 401 H GLY 50 H GLY 50 -6.334 -7.143 -19.766 402 HA2 GLY 50 HA2 GLY 50 -8.010 -5.657 -20.264 403 HA3 GLY 50 HA3 GLY 50 -7.021 -4.390 -19.561 404 H LYS 51 H LYS 51 -7.614 -6.263 -22.511 405 HA LYS 51 HA LYS 51 -7.256 -5.955 -24.721 406 HB2 LYS 51 HB2 LYS 51 -7.347 -3.029 -23.872 407 HB3 LYS 51 HB3 LYS 51 -7.223 -3.512 -25.560 408 HG2 LYS 51 HG2 LYS 51 -9.504 -4.299 -23.711 409 HG3 LYS 51 HG3 LYS 51 -9.544 -2.938 -24.839 410 HD2 LYS 51 HD2 LYS 51 -9.190 -4.537 -26.734 411 HD3 LYS 51 HD3 LYS 51 -9.226 -5.879 -25.584 412 HE2 LYS 51 HE2 LYS 51 -11.523 -3.942 -26.046 413 HE3 LYS 51 HE3 LYS 51 -11.389 -5.540 -26.781 414 HZ1 LYS 51 HZ1 LYS 51 -11.404 -6.517 -24.569 415 HZ2 LYS 51 HZ2 LYS 51 -12.794 -5.589 -24.826 416 HZ3 LYS 51 HZ3 LYS 51 -11.539 -4.987 -23.866 417 H THR 52 H THR 52 -5.625 -4.209 -26.233 418 HA THR 52 HA THR 52 -2.959 -5.158 -25.629 419 HB THR 52 HB THR 52 -3.807 -3.189 -27.810 420 HG1 THR 52 HG1 THR 52 -3.762 -6.023 -27.706 421 HG21 THR 52 HG21 THR 52 -1.322 -4.947 -27.601 422 HG22 THR 52 HG22 THR 52 -1.353 -3.191 -27.416 423 HG23 THR 52 HG23 THR 52 -1.744 -3.920 -28.974 424 H GLU 53 H GLU 53 -2.779 -4.154 -23.499 425 HA GLU 53 HA GLU 53 -1.265 -1.704 -23.633 426 HB2 GLU 53 HB2 GLU 53 -3.582 -0.811 -23.359 427 HB3 GLU 53 HB3 GLU 53 -3.779 -1.753 -21.881 428 HG2 GLU 53 HG2 GLU 53 -2.026 -0.457 -20.773 429 HG3 GLU 53 HG3 GLU 53 -1.666 0.404 -22.267 430 H GLN 54 H GLN 54 0.308 -1.712 -22.185 431 HA GLN 54 HA GLN 54 0.266 -3.506 -19.827 432 HB2 GLN 54 HB2 GLN 54 2.598 -4.145 -20.240 433 HB3 GLN 54 HB3 GLN 54 1.603 -4.584 -21.617 434 HG2 GLN 54 HG2 GLN 54 3.431 -2.157 -21.511 435 HG3 GLN 54 HG3 GLN 54 3.864 -3.701 -22.230 436 HE21 GLN 54 HE21 GLN 54 2.789 -4.335 -24.183 437 HE22 GLN 54 HE22 GLN 54 2.075 -3.153 -25.216 438 H ARG 55 H ARG 55 1.188 -2.660 -17.975 439 HA ARG 55 HA ARG 55 1.856 0.229 -18.080 440 HB2 ARG 55 HB2 ARG 55 0.460 -1.293 -15.832 441 HB3 ARG 55 HB3 ARG 55 0.863 0.419 -15.819 442 HG2 ARG 55 HG2 ARG 55 -1.382 0.500 -16.390 443 HG3 ARG 55 HG3 ARG 55 -0.617 0.526 -17.981 444 HD2 ARG 55 HD2 ARG 55 -1.014 -1.943 -18.167 445 HD3 ARG 55 HD3 ARG 55 -1.831 -1.906 -16.598 446 HE ARG 55 HE ARG 55 -2.860 -0.237 -18.795 447 HH11 ARG 55 HH11 ARG 55 -3.379 -2.935 -16.680 448 HH12 ARG 55 HH12 ARG 55 -5.021 -3.121 -17.174 449 HH21 ARG 55 HH21 ARG 55 -4.947 -0.516 -19.406 450 HH22 ARG 55 HH22 ARG 55 -5.894 -1.777 -18.694 451 H GLN 56 H GLN 56 3.943 0.447 -17.778 452 HA GLN 56 HA GLN 56 5.464 -1.565 -16.222 453 HB2 GLN 56 HB2 GLN 56 6.525 0.532 -18.163 454 HB3 GLN 56 HB3 GLN 56 7.445 -0.767 -17.409 455 HG2 GLN 56 HG2 GLN 56 5.970 -2.421 -18.606 456 HG3 GLN 56 HG3 GLN 56 5.227 -1.062 -19.454 457 HE21 GLN 56 HE21 GLN 56 8.099 -3.015 -19.127 458 HE22 GLN 56 HE22 GLN 56 8.891 -2.452 -20.556 459 H ALA 57 H ALA 57 5.873 -1.048 -14.165 460 HA ALA 57 HA ALA 57 6.388 1.771 -13.385 461 HB1 ALA 57 HB1 ALA 57 4.966 -0.360 -11.737 462 HB2 ALA 57 HB2 ALA 57 4.190 1.000 -12.553 463 HB3 ALA 57 HB3 ALA 57 5.312 1.296 -11.224 464 H GLY 58 H GLY 58 8.465 2.005 -12.849 465 HA2 GLY 58 HA2 GLY 58 10.170 -0.169 -12.002 466 HA3 GLY 58 HA3 GLY 58 10.633 1.503 -12.261 467 H ILE 59 H ILE 59 11.359 -0.289 -10.068 468 HA ILE 59 HA ILE 59 10.017 0.560 -7.668 469 HB ILE 59 HB ILE 59 12.752 -0.770 -8.025 470 HG12 ILE 59 HG12 ILE 59 11.515 -2.806 -7.006 471 HG13 ILE 59 HG13 ILE 59 10.022 -1.940 -7.324 472 HG21 ILE 59 HG21 ILE 59 12.700 -1.268 -5.589 473 HG22 ILE 59 HG22 ILE 59 11.233 -0.302 -5.423 474 HG23 ILE 59 HG23 ILE 59 12.746 0.468 -5.906 475 HD11 ILE 59 HD11 ILE 59 10.486 -3.616 -9.013 476 HD12 ILE 59 HD12 ILE 59 12.027 -2.845 -9.398 477 HD13 ILE 59 HD13 ILE 59 10.508 -2.002 -9.721 478 H VAL 60 H VAL 60 10.354 2.444 -6.516 479 HA VAL 60 HA VAL 60 12.481 4.317 -7.306 480 HB VAL 60 HB VAL 60 10.324 4.708 -5.167 481 HG11 VAL 60 HG11 VAL 60 12.243 6.235 -4.893 482 HG12 VAL 60 HG12 VAL 60 10.818 7.130 -5.419 483 HG13 VAL 60 HG13 VAL 60 12.097 6.755 -6.576 484 HG21 VAL 60 HG21 VAL 60 9.255 4.332 -7.345 485 HG22 VAL 60 HG22 VAL 60 10.247 5.598 -8.070 486 HG23 VAL 60 HG23 VAL 60 9.057 6.010 -6.833 487 H ALA 61 H ALA 61 11.198 2.839 -4.324 488 HA ALA 61 HA ALA 61 13.842 2.319 -3.239 489 HB1 ALA 61 HB1 ALA 61 11.973 4.247 -1.797 490 HB2 ALA 61 HB2 ALA 61 13.495 4.674 -2.579 491 HB3 ALA 61 HB3 ALA 61 13.501 3.619 -1.166 492 H ILE 62 H ILE 62 13.814 0.731 -1.673 493 HA ILE 62 HA ILE 62 11.478 -0.190 -0.290 494 HB ILE 62 HB ILE 62 10.981 -1.262 -2.461 495 HG12 ILE 62 HG12 ILE 62 11.887 -3.251 -0.319 496 HG13 ILE 62 HG13 ILE 62 10.305 -2.493 -0.444 497 HG21 ILE 62 HG21 ILE 62 12.455 -2.941 -3.498 498 HG22 ILE 62 HG22 ILE 62 13.679 -2.656 -2.259 499 HG23 ILE 62 HG23 ILE 62 13.260 -1.374 -3.396 500 HD11 ILE 62 HD11 ILE 62 9.917 -3.729 -2.542 501 HD12 ILE 62 HD12 ILE 62 10.198 -4.778 -1.155 502 HD13 ILE 62 HD13 ILE 62 11.481 -4.524 -2.337 503 H ARG 63 H ARG 63 11.995 -1.545 1.421 504 HA ARG 63 HA ARG 63 14.552 -2.891 1.684 505 HB2 ARG 63 HB2 ARG 63 13.941 -0.620 3.645 506 HB3 ARG 63 HB3 ARG 63 15.100 -1.904 3.979 507 HG2 ARG 63 HG2 ARG 63 16.375 -1.173 1.923 508 HG3 ARG 63 HG3 ARG 63 15.276 0.196 1.799 509 HD2 ARG 63 HD2 ARG 63 17.211 1.037 2.884 510 HD3 ARG 63 HD3 ARG 63 16.017 0.837 4.163 511 HE ARG 63 HE ARG 63 17.200 -1.090 4.934 512 HH11 ARG 63 HH11 ARG 63 18.923 0.574 2.422 513 HH12 ARG 63 HH12 ARG 63 20.448 -0.076 2.901 514 HH21 ARG 63 HH21 ARG 63 19.146 -1.936 5.480 515 HH22 ARG 63 HH22 ARG 63 20.569 -1.485 4.611 516 H ALA 64 H ALA 64 13.708 -4.807 2.072 517 HA ALA 64 HA ALA 64 12.395 -6.515 2.682 518 HB1 ALA 64 HB1 ALA 64 12.547 -5.196 5.396 519 HB2 ALA 64 HB2 ALA 64 13.750 -6.279 4.696 520 HB3 ALA 64 HB3 ALA 64 12.140 -6.885 5.090 521 H TYR 65 H TYR 65 10.736 -4.343 5.000 522 HA TYR 65 HA TYR 65 8.380 -4.036 3.302 523 HB2 TYR 65 HB2 TYR 65 6.795 -5.072 4.864 524 HB3 TYR 65 HB3 TYR 65 7.992 -6.251 4.355 525 HD1 TYR 65 HD2 TYR 65 9.846 -6.917 5.976 526 HD2 TYR 65 HD1 TYR 65 6.525 -4.519 7.200 527 HE1 TYR 65 HE2 TYR 65 10.324 -7.446 8.331 528 HE2 TYR 65 HE1 TYR 65 7.002 -5.048 9.545 529 HH TYR 65 HH TYR 65 9.883 -6.428 10.591 530 H SER 66 H SER 66 10.483 -2.702 5.468 531 HA SER 66 HA SER 66 8.853 -0.993 7.065 532 HB2 SER 66 HB2 SER 66 11.752 -0.760 6.185 533 HB3 SER 66 HB3 SER 66 10.989 0.434 7.237 534 HG SER 66 HG SER 66 10.701 -2.227 7.993 535 H PHE 67 H PHE 67 9.525 -0.904 3.711 536 HA PHE 67 HA PHE 67 7.656 1.043 3.139 537 HB2 PHE 67 HB2 PHE 67 8.975 2.930 2.215 538 HB3 PHE 67 HB3 PHE 67 9.189 2.764 3.946 539 HD1 PHE 67 HD1 PHE 67 10.857 2.475 0.658 540 HD2 PHE 67 HD2 PHE 67 11.381 2.205 4.894 541 HE1 PHE 67 HE1 PHE 67 13.290 2.572 0.370 542 HE2 PHE 67 HE2 PHE 67 13.820 2.307 4.589 543 HZ PHE 67 HZ PHE 67 14.772 2.494 2.325 544 H ILE 68 H ILE 68 7.071 0.969 1.009 545 HA ILE 68 HA ILE 68 8.981 0.257 -1.072 546 HB ILE 68 HB ILE 68 8.139 -1.967 -0.390 547 HG12 ILE 68 HG12 ILE 68 7.165 -1.037 -3.137 548 HG13 ILE 68 HG13 ILE 68 8.751 -1.701 -2.738 549 HG21 ILE 68 HG21 ILE 68 5.963 -1.322 0.544 550 HG22 ILE 68 HG22 ILE 68 5.778 -2.623 -0.634 551 HG23 ILE 68 HG23 ILE 68 5.356 -0.967 -1.077 552 HD11 ILE 68 HD11 ILE 68 7.723 -3.868 -2.286 553 HD12 ILE 68 HD12 ILE 68 7.396 -3.301 -3.923 554 HD13 ILE 68 HD13 ILE 68 6.142 -3.197 -2.692 555 H ARG 69 H ARG 69 8.518 1.237 -3.019 556 HA ARG 69 HA ARG 69 5.902 2.215 -3.714 557 HB2 ARG 69 HB2 ARG 69 6.618 4.641 -3.988 558 HB3 ARG 69 HB3 ARG 69 6.345 4.103 -2.343 559 HG2 ARG 69 HG2 ARG 69 9.149 4.235 -3.502 560 HG3 ARG 69 HG3 ARG 69 8.361 5.660 -2.820 561 HD2 ARG 69 HD2 ARG 69 7.994 4.210 -0.707 562 HD3 ARG 69 HD3 ARG 69 9.178 3.108 -1.413 563 HE ARG 69 HE ARG 69 10.635 5.245 -1.476 564 HH11 ARG 69 HH11 ARG 69 8.384 4.513 1.035 565 HH12 ARG 69 HH12 ARG 69 9.269 5.380 2.228 566 HH21 ARG 69 HH21 ARG 69 11.731 6.374 0.095 567 HH22 ARG 69 HH22 ARG 69 11.127 6.400 1.713 568 H PHE 70 H PHE 70 5.690 2.883 -5.848 569 HA PHE 70 HA PHE 70 7.926 2.195 -7.684 570 HB2 PHE 70 HB2 PHE 70 4.935 1.657 -7.992 571 HB3 PHE 70 HB3 PHE 70 6.115 1.412 -9.275 572 HD1 PHE 70 HD2 PHE 70 4.916 0.146 -5.995 573 HD2 PHE 70 HD1 PHE 70 7.596 -0.520 -9.267 574 HE1 PHE 70 HE2 PHE 70 5.334 -2.146 -5.196 575 HE2 PHE 70 HE1 PHE 70 7.999 -2.808 -8.460 576 HZ PHE 70 HZ PHE 70 6.868 -3.625 -6.431 577 H HIS 71 H HIS 71 7.532 3.094 -9.940 578 HA HIS 71 HA HIS 71 6.111 5.636 -10.166 579 HB2 HIS 71 HB2 HIS 71 7.976 7.017 -10.711 580 HB3 HIS 71 HB3 HIS 71 8.497 6.148 -9.281 581 HD1 HIS 71 HD1 HIS 71 9.329 6.744 -12.813 582 HD2 HIS 71 HD2 HIS 71 10.444 4.066 -9.853 583 HE1 HIS 71 HE1 HIS 71 11.435 5.669 -13.653 584 HE2 HIS 71 HE2 HIS 71 12.190 4.183 -11.772 585 H TRP 72 H TRP 72 5.784 6.240 -12.336 586 HA TRP 72 HA TRP 72 5.450 4.236 -14.280 587 HB2 TRP 72 HB2 TRP 72 5.742 7.205 -14.937 588 HB3 TRP 72 HB3 TRP 72 4.767 6.006 -15.782 589 HD1 TRP 72 HD1 TRP 72 2.426 5.236 -14.495 590 HE1 TRP 72 HE1 TRP 72 0.945 6.518 -12.828 591 HE3 TRP 72 HE3 TRP 72 5.746 8.877 -13.074 592 HZ2 TRP 72 HZ2 TRP 72 1.142 8.764 -11.132 593 HZ3 TRP 72 HZ3 TRP 72 5.021 10.557 -11.421 594 HH2 TRP 72 HH2 TRP 72 2.761 10.501 -10.469 595 H LEU 73 H LEU 73 6.817 3.431 -15.935 596 HA LEU 73 HA LEU 73 9.621 3.863 -15.909 597 HB2 LEU 73 HB2 LEU 73 8.035 1.953 -17.062 598 HB3 LEU 73 HB3 LEU 73 8.377 2.907 -18.485 599 HG LEU 73 HG LEU 73 10.368 1.407 -16.743 600 HD11 LEU 73 HD11 LEU 73 10.891 0.156 -18.791 601 HD12 LEU 73 HD12 LEU 73 9.668 1.076 -19.673 602 HD13 LEU 73 HD13 LEU 73 9.190 0.009 -18.352 603 HD21 LEU 73 HD21 LEU 73 11.050 3.265 -19.051 604 HD22 LEU 73 HD22 LEU 73 12.187 2.192 -18.226 605 HD23 LEU 73 HD23 LEU 73 11.442 3.527 -17.351 606 H ASP 74 H ASP 74 7.184 4.925 -18.289 607 HA ASP 74 HA ASP 74 8.782 7.112 -19.302 608 HB2 ASP 74 HB2 ASP 74 5.846 6.354 -19.672 609 HB3 ASP 74 HB3 ASP 74 6.659 7.652 -20.546 610 H ASP 75 H ASP 75 9.152 7.826 -16.998 611 HA ASP 75 HA ASP 75 6.995 8.968 -15.478 612 HB2 ASP 75 HB2 ASP 75 9.272 7.949 -14.629 613 HB3 ASP 75 HB3 ASP 75 9.928 9.554 -14.925 614 H GLU 76 H GLU 76 6.070 10.470 -16.822 615 HA GLU 76 HA GLU 76 7.268 12.614 -18.174 616 HB2 GLU 76 HB2 GLU 76 4.892 13.577 -18.117 617 HB3 GLU 76 HB3 GLU 76 5.073 11.963 -18.798 618 HG2 GLU 76 HG2 GLU 76 4.334 10.996 -16.606 619 HG3 GLU 76 HG3 GLU 76 4.037 12.634 -16.019 620 H ASN 77 H ASN 77 6.047 12.428 -14.828 621 HA ASN 77 HA ASN 77 7.844 14.423 -13.896 622 HB2 ASN 77 HB2 ASN 77 6.288 16.160 -13.113 623 HB3 ASN 77 HB3 ASN 77 6.171 15.995 -14.855 624 HD21 ASN 77 HD21 ASN 77 4.400 13.673 -14.827 625 HD22 ASN 77 HD22 ASN 77 2.868 14.236 -14.289 626 H GLU 78 H GLU 78 8.277 14.088 -11.762 627 HA GLU 78 HA GLU 78 6.826 12.044 -10.282 628 HB2 GLU 78 HB2 GLU 78 9.194 13.761 -9.410 629 HB3 GLU 78 HB3 GLU 78 8.584 12.340 -8.562 630 HG2 GLU 78 HG2 GLU 78 9.220 10.916 -10.449 631 HG3 GLU 78 HG3 GLU 78 9.772 12.324 -11.353 632 H ARG 79 H ARG 79 4.851 13.582 -10.461 633 HA ARG 79 HA ARG 79 4.674 15.723 -8.508 634 HB2 ARG 79 HB2 ARG 79 3.383 15.691 -10.700 635 HB3 ARG 79 HB3 ARG 79 2.419 14.365 -10.054 636 HG2 ARG 79 HG2 ARG 79 1.783 15.955 -8.128 637 HG3 ARG 79 HG3 ARG 79 2.516 17.243 -9.087 638 HD2 ARG 79 HD2 ARG 79 0.156 17.290 -9.507 639 HD3 ARG 79 HD3 ARG 79 0.920 16.635 -10.959 640 HE ARG 79 HE ARG 79 0.283 14.408 -9.545 641 HH11 ARG 79 HH11 ARG 79 -1.623 17.095 -10.617 642 HH12 ARG 79 HH12 ARG 79 -3.077 16.167 -10.640 643 HH21 ARG 79 HH21 ARG 79 -1.578 13.274 -9.560 644 HH22 ARG 79 HH22 ARG 79 -3.051 14.030 -10.054 645 H ASP 80 H ASP 80 2.939 12.625 -8.949 646 HA ASP 80 HA ASP 80 1.808 12.658 -6.301 647 HB2 ASP 80 HB2 ASP 80 1.790 10.457 -8.414 648 HB3 ASP 80 HB3 ASP 80 0.749 10.532 -6.987 649 H TYR 81 H TYR 81 2.165 11.193 -4.632 650 HA TYR 81 HA TYR 81 4.342 9.254 -4.767 651 HB2 TYR 81 HB2 TYR 81 5.512 11.301 -4.043 652 HB3 TYR 81 HB3 TYR 81 4.345 11.549 -2.750 653 HD1 TYR 81 HD1 TYR 81 6.877 9.042 -3.970 654 HD2 TYR 81 HD2 TYR 81 4.837 10.686 -0.587 655 HE1 TYR 81 HE1 TYR 81 8.293 7.718 -2.467 656 HE2 TYR 81 HE2 TYR 81 6.260 9.358 0.913 657 HH TYR 81 HH TYR 81 7.636 7.387 0.876 658 H PHE 82 H PHE 82 3.595 7.458 -3.905 659 HA PHE 82 HA PHE 82 2.135 7.477 -1.359 660 HB2 PHE 82 HB2 PHE 82 0.569 5.707 -2.142 661 HB3 PHE 82 HB3 PHE 82 0.362 7.196 -3.049 662 HD1 PHE 82 HD2 PHE 82 1.276 7.351 -5.417 663 HD2 PHE 82 HD1 PHE 82 1.142 3.645 -3.267 664 HE1 PHE 82 HE2 PHE 82 1.548 6.112 -7.527 665 HE2 PHE 82 HE1 PHE 82 1.425 2.420 -5.386 666 HZ PHE 82 HZ PHE 82 1.625 3.650 -7.513 667 H GLU 83 H GLU 83 2.934 5.972 0.040 668 HA GLU 83 HA GLU 83 4.560 3.721 -1.003 669 HB2 GLU 83 HB2 GLU 83 6.140 3.937 0.836 670 HB3 GLU 83 HB3 GLU 83 6.061 5.475 -0.017 671 HG2 GLU 83 HG2 GLU 83 4.686 6.441 1.738 672 HG3 GLU 83 HG3 GLU 83 4.568 4.888 2.561 673 H ILE 84 H ILE 84 4.571 1.848 0.307 674 HA ILE 84 HA ILE 84 2.427 1.636 2.354 675 HB ILE 84 HB ILE 84 3.428 -0.664 0.588 676 HG12 ILE 84 HG12 ILE 84 0.897 -0.580 -0.229 677 HG13 ILE 84 HG13 ILE 84 0.948 1.091 0.312 678 HG21 ILE 84 HG21 ILE 84 2.743 -1.392 2.823 679 HG22 ILE 84 HG22 ILE 84 1.577 -1.948 1.626 680 HG23 ILE 84 HG23 ILE 84 1.191 -0.566 2.651 681 HD11 ILE 84 HD11 ILE 84 2.696 -0.164 -1.808 682 HD12 ILE 84 HD12 ILE 84 2.777 1.520 -1.278 683 HD13 ILE 84 HD13 ILE 84 1.322 0.912 -2.069 684 H LYS 85 H LYS 85 3.354 1.534 4.300 685 HA LYS 85 HA LYS 85 5.805 -0.088 4.707 686 HB2 LYS 85 HB2 LYS 85 6.267 1.557 6.641 687 HB3 LYS 85 HB3 LYS 85 6.548 2.146 5.007 688 HG2 LYS 85 HG2 LYS 85 4.473 3.394 5.030 689 HG3 LYS 85 HG3 LYS 85 4.029 2.719 6.599 690 HD2 LYS 85 HD2 LYS 85 6.438 4.515 6.087 691 HD3 LYS 85 HD3 LYS 85 4.883 5.062 6.724 692 HE2 LYS 85 HE2 LYS 85 5.215 3.444 8.654 693 HE3 LYS 85 HE3 LYS 85 6.856 3.174 8.055 694 HZ1 LYS 85 HZ1 LYS 85 5.730 5.797 8.871 695 HZ2 LYS 85 HZ2 LYS 85 7.319 5.510 8.362 696 HZ3 LYS 85 HZ3 LYS 85 6.761 4.838 9.808 697 H MET 86 H MET 86 5.814 -1.425 6.514 698 HA MET 86 HA MET 86 3.328 -1.621 8.118 699 HB2 MET 86 HB2 MET 86 4.694 -4.209 7.316 700 HB3 MET 86 HB3 MET 86 3.027 -3.913 7.740 701 HG2 MET 86 HG2 MET 86 2.606 -2.940 5.541 702 HG3 MET 86 HG3 MET 86 4.307 -3.119 5.113 703 HE1 MET 86 HE1 MET 86 1.465 -6.721 5.768 704 HE2 MET 86 HE2 MET 86 0.943 -5.041 5.927 705 HE3 MET 86 HE3 MET 86 2.056 -5.738 7.109 706 H SER 87 H SER 87 3.677 -2.188 10.277 707 HA SER 87 HA SER 87 6.471 -2.619 11.194 708 HB2 SER 87 HB2 SER 87 6.003 -0.192 11.377 709 HB3 SER 87 HB3 SER 87 4.563 -0.525 12.344 710 HG SER 87 HG SER 87 7.050 -0.222 13.178 711 H TYR 88 H TYR 88 6.671 -3.867 13.080 712 HA TYR 88 HA TYR 88 4.253 -5.439 13.749 713 HB2 TYR 88 HB2 TYR 88 6.138 -6.690 12.769 714 HB3 TYR 88 HB3 TYR 88 7.210 -6.123 14.044 715 HD1 TYR 88 HD1 TYR 88 3.742 -7.635 14.110 716 HD2 TYR 88 HD2 TYR 88 7.810 -7.975 15.393 717 HE1 TYR 88 HE1 TYR 88 3.167 -9.642 15.405 718 HE2 TYR 88 HE2 TYR 88 7.228 -9.976 16.694 719 HH TYR 88 HH TYR 88 5.239 -10.999 17.730 720 H ASN 89 H ASN 89 3.259 -4.701 15.584 721 HA ASN 89 HA ASN 89 4.671 -3.837 17.970 722 HB2 ASN 89 HB2 ASN 89 1.758 -4.735 17.705 723 HB3 ASN 89 HB3 ASN 89 2.461 -3.840 19.050 724 HD21 ASN 89 HD21 ASN 89 1.181 -3.654 15.856 725 HD22 ASN 89 HD22 ASN 89 1.141 -1.942 15.758 726 H GLU 90 H GLU 90 6.008 -5.428 18.753 727 HA GLU 90 HA GLU 90 5.794 -8.162 18.327 728 HB2 GLU 90 HB2 GLU 90 7.894 -6.937 18.864 729 HB3 GLU 90 HB3 GLU 90 7.349 -6.734 20.526 730 HG2 GLU 90 HG2 GLU 90 7.377 -9.215 20.807 731 HG3 GLU 90 HG3 GLU 90 7.984 -9.374 19.159 732 H LEU 91 H LEU 91 4.811 -6.328 21.241 733 HA LEU 91 HA LEU 91 4.520 -8.670 22.898 734 HB2 LEU 91 HB2 LEU 91 3.722 -5.783 23.404 735 HB3 LEU 91 HB3 LEU 91 3.751 -7.052 24.622 736 HG LEU 91 HG LEU 91 6.183 -5.936 23.152 737 HD11 LEU 91 HD11 LEU 91 6.833 -5.016 25.334 738 HD12 LEU 91 HD12 LEU 91 5.330 -5.605 26.048 739 HD13 LEU 91 HD13 LEU 91 5.288 -4.363 24.794 740 HD21 LEU 91 HD21 LEU 91 7.533 -7.341 24.682 741 HD22 LEU 91 HD22 LEU 91 6.517 -8.314 23.625 742 HD23 LEU 91 HD23 LEU 91 6.057 -8.076 25.313 743 H THR 92 H THR 92 2.372 -7.001 20.747 744 HA THR 92 HA THR 92 0.022 -8.376 21.938 745 HB THR 92 HB THR 92 -0.204 -5.953 22.215 746 HG1 THR 92 HG1 THR 92 -2.023 -6.766 20.178 747 HG21 THR 92 HG21 THR 92 1.148 -5.166 20.302 748 HG22 THR 92 HG22 THR 92 -0.454 -4.428 20.294 749 HG23 THR 92 HG23 THR 92 -0.088 -5.747 19.180 750 H GLY 93 H GLY 93 1.999 -8.224 19.190 751 HA2 GLY 93 HA2 GLY 93 1.952 -9.678 17.366 752 HA3 GLY 93 HA3 GLY 93 0.290 -10.095 17.726 753 H ASP 94 H ASP 94 -0.327 -7.077 17.754 754 HA ASP 94 HA ASP 94 -1.527 -6.822 15.267 755 HB2 ASP 94 HB2 ASP 94 -0.634 -4.627 17.189 756 HB3 ASP 94 HB3 ASP 94 -1.718 -4.360 15.826 757 H TYR 95 H TYR 95 -1.079 -5.574 13.377 758 HA TYR 95 HA TYR 95 1.713 -4.593 13.039 759 HB2 TYR 95 HB2 TYR 95 -0.044 -6.167 11.242 760 HB3 TYR 95 HB3 TYR 95 0.539 -4.715 10.438 761 HD1 TYR 95 HD1 TYR 95 1.711 -7.790 12.234 762 HD2 TYR 95 HD2 TYR 95 2.766 -4.591 9.610 763 HE1 TYR 95 HE1 TYR 95 3.862 -8.882 11.754 764 HE2 TYR 95 HE2 TYR 95 4.910 -5.684 9.130 765 HH TYR 95 HH TYR 95 6.440 -7.320 10.268 766 H VAL 96 H VAL 96 1.927 -2.413 13.028 767 HA VAL 96 HA VAL 96 -0.203 -0.567 12.428 768 HB VAL 96 HB VAL 96 2.811 -0.079 12.671 769 HG11 VAL 96 HG11 VAL 96 0.563 1.975 12.493 770 HG12 VAL 96 HG12 VAL 96 1.796 1.683 11.264 771 HG13 VAL 96 HG13 VAL 96 2.255 2.341 12.834 772 HG21 VAL 96 HG21 VAL 96 2.270 0.869 14.888 773 HG22 VAL 96 HG22 VAL 96 1.783 -0.824 14.786 774 HG23 VAL 96 HG23 VAL 96 0.570 0.454 14.660 775 H LEU 97 H LEU 97 -0.971 -0.874 10.406 776 HA LEU 97 HA LEU 97 0.813 -0.985 8.071 777 HB2 LEU 97 HB2 LEU 97 -1.097 -2.581 8.323 778 HB3 LEU 97 HB3 LEU 97 -2.214 -1.236 8.277 779 HG LEU 97 HG LEU 97 -1.509 -0.710 5.964 780 HD11 LEU 97 HD11 LEU 97 -0.061 -2.243 4.703 781 HD12 LEU 97 HD12 LEU 97 0.249 -3.176 6.170 782 HD13 LEU 97 HD13 LEU 97 0.808 -1.504 6.050 783 HD21 LEU 97 HD21 LEU 97 -3.442 -2.159 6.281 784 HD22 LEU 97 HD22 LEU 97 -2.400 -3.584 6.372 785 HD23 LEU 97 HD23 LEU 97 -2.533 -2.679 4.859 786 H GLU 98 H GLU 98 1.413 0.919 7.293 787 HA GLU 98 HA GLU 98 -0.335 3.296 7.638 788 HB2 GLU 98 HB2 GLU 98 1.706 3.149 9.171 789 HB3 GLU 98 HB3 GLU 98 2.718 3.283 7.737 790 HG2 GLU 98 HG2 GLU 98 1.717 5.497 7.253 791 HG3 GLU 98 HG3 GLU 98 0.717 5.349 8.696 792 H ILE 99 H ILE 99 -1.136 3.654 5.634 793 HA ILE 99 HA ILE 99 0.619 3.550 3.259 794 HB ILE 99 HB ILE 99 -2.415 3.776 3.585 795 HG12 ILE 99 HG12 ILE 99 -2.389 1.686 2.113 796 HG13 ILE 99 HG13 ILE 99 -0.640 1.675 2.248 797 HG21 ILE 99 HG21 ILE 99 -2.609 3.844 1.090 798 HG22 ILE 99 HG22 ILE 99 -0.858 4.056 0.983 799 HG23 ILE 99 HG23 ILE 99 -1.850 5.297 1.753 800 HD11 ILE 99 HD11 ILE 99 -1.708 0.058 3.712 801 HD12 ILE 99 HD12 ILE 99 -2.577 1.355 4.536 802 HD13 ILE 99 HD13 ILE 99 -0.814 1.266 4.631 803 H THR 100 H THR 100 1.698 5.389 2.782 804 HA THR 100 HA THR 100 0.673 7.999 3.769 805 HB THR 100 HB THR 100 3.539 7.167 3.154 806 HG1 THR 100 HG1 THR 100 2.506 6.333 5.140 807 HG21 THR 100 HG21 THR 100 2.497 9.788 4.289 808 HG22 THR 100 HG22 THR 100 3.258 9.562 2.709 809 HG23 THR 100 HG23 THR 100 4.196 9.324 4.186 810 H ASP 101 H ASP 101 -0.320 9.067 2.188 811 HA ASP 101 HA ASP 101 0.745 9.071 -0.586 812 HB2 ASP 101 HB2 ASP 101 -1.338 7.713 -0.424 813 HB3 ASP 101 HB3 ASP 101 -2.179 9.066 0.322 814 H PHE 102 H PHE 102 0.095 11.036 -1.817 815 HA PHE 102 HA PHE 102 -0.153 13.479 -0.143 816 HB2 PHE 102 HB2 PHE 102 0.741 13.114 -3.045 817 HB3 PHE 102 HB3 PHE 102 0.476 14.685 -2.304 818 HD1 PHE 102 HD2 PHE 102 1.968 12.722 0.225 819 HD2 PHE 102 HD1 PHE 102 2.921 14.682 -3.465 820 HE1 PHE 102 HE2 PHE 102 4.337 12.810 0.872 821 HE2 PHE 102 HE1 PHE 102 5.289 14.766 -2.797 822 HZ PHE 102 HZ PHE 102 6.000 13.831 -0.633 823 H SER 103 H SER 103 -2.234 14.221 0.004 824 HA SER 103 HA SER 103 -4.084 13.974 -2.300 825 HB2 SER 103 HB2 SER 103 -4.687 13.425 0.637 826 HB3 SER 103 HB3 SER 103 -5.927 13.576 -0.608 827 HG SER 103 HG SER 103 -3.806 11.732 -0.914 828 H GLU 104 H GLU 104 -5.295 15.735 -2.764 829 HA GLU 104 HA GLU 104 -5.068 18.297 -1.589 830 HB2 GLU 104 HB2 GLU 104 -7.200 17.012 -3.329 831 HB3 GLU 104 HB3 GLU 104 -7.278 18.708 -2.871 832 HG2 GLU 104 HG2 GLU 104 -5.570 19.319 -4.296 833 HG3 GLU 104 HG3 GLU 104 -4.775 17.759 -4.196 834 H ALA 105 H ALA 105 -6.643 19.467 -0.238 835 HA ALA 105 HA ALA 105 -8.096 18.312 1.786 836 HB1 ALA 105 HB1 ALA 105 -8.889 20.795 0.237 837 HB2 ALA 105 HB2 ALA 105 -7.744 20.738 1.578 838 HB3 ALA 105 HB3 ALA 105 -9.447 20.368 1.857 839 H ASP 106 H ASP 106 -9.130 18.730 -1.584 840 HA ASP 106 HA ASP 106 -11.794 17.779 -1.429 841 HB2 ASP 106 HB2 ASP 106 -9.821 17.619 -3.753 842 HB3 ASP 106 HB3 ASP 106 -11.575 17.430 -3.881 843 H GLU 107 H GLU 107 -8.686 16.075 -1.915 844 HA GLU 107 HA GLU 107 -9.923 13.533 -2.636 845 HB2 GLU 107 HB2 GLU 107 -7.006 14.226 -2.044 846 HB3 GLU 107 HB3 GLU 107 -7.576 12.723 -2.770 847 HG2 GLU 107 HG2 GLU 107 -7.844 15.483 -4.013 848 HG3 GLU 107 HG3 GLU 107 -6.563 14.334 -4.386 849 H ALA 108 H ALA 108 -8.610 15.076 0.203 850 HA ALA 108 HA ALA 108 -7.927 12.782 1.745 851 HB1 ALA 108 HB1 ALA 108 -8.535 15.606 2.678 852 HB2 ALA 108 HB2 ALA 108 -6.956 14.996 2.183 853 HB3 ALA 108 HB3 ALA 108 -7.732 14.351 3.632 854 H ASP 109 H ASP 109 -10.931 14.474 1.216 855 HA ASP 109 HA ASP 109 -12.421 13.699 3.453 856 HB2 ASP 109 HB2 ASP 109 -13.085 15.415 1.744 857 HB3 ASP 109 HB3 ASP 109 -13.449 14.110 0.616 858 H ASP 110 H ASP 110 -11.915 11.981 0.359 859 HA ASP 110 HA ASP 110 -13.535 9.689 1.025 860 HB2 ASP 110 HB2 ASP 110 -11.428 10.072 -1.145 861 HB3 ASP 110 HB3 ASP 110 -12.555 8.715 -1.053 862 H LEU 111 H LEU 111 -10.058 10.422 1.195 863 HA LEU 111 HA LEU 111 -9.104 7.830 1.805 864 HB2 LEU 111 HB2 LEU 111 -8.010 10.615 2.154 865 HB3 LEU 111 HB3 LEU 111 -7.198 9.321 3.008 866 HG LEU 111 HG LEU 111 -6.054 9.819 0.901 867 HD11 LEU 111 HD11 LEU 111 -7.397 7.108 0.817 868 HD12 LEU 111 HD12 LEU 111 -5.957 7.540 1.742 869 HD13 LEU 111 HD13 LEU 111 -5.906 7.565 -0.019 870 HD21 LEU 111 HD21 LEU 111 -8.623 9.043 -0.516 871 HD22 LEU 111 HD22 LEU 111 -7.071 9.390 -1.289 872 HD23 LEU 111 HD23 LEU 111 -7.926 10.662 -0.422 873 H LYS 112 H LYS 112 -9.995 10.494 4.031 874 HA LYS 112 HA LYS 112 -9.552 8.932 6.409 875 HB2 LYS 112 HB2 LYS 112 -10.712 11.692 5.960 876 HB3 LYS 112 HB3 LYS 112 -10.739 10.941 7.549 877 HG2 LYS 112 HG2 LYS 112 -8.818 12.345 7.520 878 HG3 LYS 112 HG3 LYS 112 -8.224 10.688 7.394 879 HD2 LYS 112 HD2 LYS 112 -7.889 10.993 4.961 880 HD3 LYS 112 HD3 LYS 112 -8.510 12.642 5.078 881 HE2 LYS 112 HE2 LYS 112 -5.989 11.583 6.400 882 HE3 LYS 112 HE3 LYS 112 -6.062 12.639 4.991 883 HZ1 LYS 112 HZ1 LYS 112 -7.153 14.311 6.405 884 HZ2 LYS 112 HZ2 LYS 112 -5.593 13.928 6.927 885 HZ3 LYS 112 HZ3 LYS 112 -6.932 13.308 7.750 886 H GLU 113 H GLU 113 -12.400 9.663 4.444 887 HA GLU 113 HA GLU 113 -14.405 8.503 6.060 888 HB2 GLU 113 HB2 GLU 113 -15.048 9.713 4.073 889 HB3 GLU 113 HB3 GLU 113 -14.079 8.680 3.039 890 HG2 GLU 113 HG2 GLU 113 -16.454 8.245 2.723 891 HG3 GLU 113 HG3 GLU 113 -15.645 6.825 3.378 892 H LEU 114 H LEU 114 -12.368 7.000 3.552 893 HA LEU 114 HA LEU 114 -13.041 4.312 3.857 894 HB2 LEU 114 HB2 LEU 114 -11.622 5.199 2.027 895 HB3 LEU 114 HB3 LEU 114 -10.344 5.551 3.177 896 HG LEU 114 HG LEU 114 -10.218 3.033 3.650 897 HD11 LEU 114 HD11 LEU 114 -12.407 2.366 2.803 898 HD12 LEU 114 HD12 LEU 114 -11.127 1.503 1.953 899 HD13 LEU 114 HD13 LEU 114 -11.949 2.854 1.166 900 HD21 LEU 114 HD21 LEU 114 -8.531 4.161 2.276 901 HD22 LEU 114 HD22 LEU 114 -9.533 3.950 0.838 902 HD23 LEU 114 HD23 LEU 114 -8.861 2.541 1.660 903 H TRP 115 H TRP 115 -10.400 6.128 5.407 904 HA TRP 115 HA TRP 115 -9.195 4.125 6.900 905 HB2 TRP 115 HB2 TRP 115 -8.066 6.242 6.545 906 HB3 TRP 115 HB3 TRP 115 -9.336 7.133 7.371 907 HD1 TRP 115 HD1 TRP 115 -6.513 4.579 8.209 908 HE1 TRP 115 HE1 TRP 115 -5.777 4.984 10.635 909 HE3 TRP 115 HE3 TRP 115 -9.905 8.183 9.513 910 HZ2 TRP 115 HZ2 TRP 115 -6.515 6.602 12.825 911 HZ3 TRP 115 HZ3 TRP 115 -9.830 9.106 11.796 912 HH2 TRP 115 HH2 TRP 115 -8.169 8.330 13.421 913 H ASP 116 H ASP 116 -11.595 6.531 8.069 914 HA ASP 116 HA ASP 116 -11.695 5.631 10.747 915 HB2 ASP 116 HB2 ASP 116 -12.456 7.905 9.824 916 HB3 ASP 116 HB3 ASP 116 -13.926 7.109 9.278 917 H SER 117 H SER 117 -13.756 4.933 7.946 918 HA SER 117 HA SER 117 -15.674 3.309 9.268 919 HB2 SER 117 HB2 SER 117 -14.925 3.512 6.329 920 HB3 SER 117 HB3 SER 117 -16.303 2.581 6.928 921 HG SER 117 HG SER 117 -16.111 5.217 6.466 922 H GLN 118 H GLN 118 -12.588 2.486 7.660 923 HA GLN 118 HA GLN 118 -13.076 -0.370 7.724 924 HB2 GLN 118 HB2 GLN 118 -10.551 1.208 7.082 925 HB3 GLN 118 HB3 GLN 118 -10.647 -0.549 7.001 926 HG2 GLN 118 HG2 GLN 118 -12.209 1.430 5.305 927 HG3 GLN 118 HG3 GLN 118 -10.865 0.418 4.778 928 HE21 GLN 118 HE21 GLN 118 -14.260 0.479 5.576 929 HE22 GLN 118 HE22 GLN 118 -14.634 -1.093 4.977 930 H VAL 119 H VAL 119 -11.374 1.928 9.810 931 HA VAL 119 HA VAL 119 -10.195 -0.072 11.536 932 HB VAL 119 HB VAL 119 -10.644 2.913 12.011 933 HG11 VAL 119 HG11 VAL 119 -10.408 1.760 14.176 934 HG12 VAL 119 HG12 VAL 119 -8.966 2.718 13.840 935 HG13 VAL 119 HG13 VAL 119 -8.933 0.966 13.617 936 HG21 VAL 119 HG21 VAL 119 -9.111 2.470 10.123 937 HG22 VAL 119 HG22 VAL 119 -8.128 1.421 11.145 938 HG23 VAL 119 HG23 VAL 119 -8.226 3.149 11.491 939 H SER 120 H SER 120 -13.174 1.890 11.602 940 HA SER 120 HA SER 120 -14.247 0.936 14.069 941 HB2 SER 120 HB2 SER 120 -15.701 2.024 11.620 942 HB3 SER 120 HB3 SER 120 -16.461 1.743 13.190 943 HG SER 120 HG SER 120 -15.055 3.863 12.348 944 H LYS 121 H LYS 121 -14.539 -0.224 10.717 945 HA LYS 121 HA LYS 121 -16.389 -2.355 11.150 946 HB2 LYS 121 HB2 LYS 121 -15.768 -1.229 8.945 947 HB3 LYS 121 HB3 LYS 121 -14.273 -2.143 8.958 948 HG2 LYS 121 HG2 LYS 121 -17.013 -3.452 8.926 949 HG3 LYS 121 HG3 LYS 121 -16.162 -2.980 7.455 950 HD2 LYS 121 HD2 LYS 121 -14.248 -4.488 8.212 951 HD3 LYS 121 HD3 LYS 121 -15.307 -5.066 9.502 952 HE2 LYS 121 HE2 LYS 121 -15.785 -5.322 6.512 953 HE3 LYS 121 HE3 LYS 121 -15.372 -6.622 7.631 954 HZ1 LYS 121 HZ1 LYS 121 -17.879 -5.027 7.656 955 HZ2 LYS 121 HZ2 LYS 121 -17.489 -6.253 8.752 956 HZ3 LYS 121 HZ3 LYS 121 -17.717 -6.622 7.122 957 H LEU 122 H LEU 122 -12.882 -2.124 11.139 958 HA LEU 122 HA LEU 122 -12.159 -4.824 11.530 959 HB2 LEU 122 HB2 LEU 122 -10.684 -2.966 10.762 960 HB3 LEU 122 HB3 LEU 122 -10.721 -2.284 12.376 961 HG LEU 122 HG LEU 122 -9.446 -4.204 13.250 962 HD11 LEU 122 HD11 LEU 122 -9.465 -5.272 10.403 963 HD12 LEU 122 HD12 LEU 122 -10.295 -5.990 11.789 964 HD13 LEU 122 HD13 LEU 122 -8.533 -5.934 11.750 965 HD21 LEU 122 HD21 LEU 122 -8.204 -2.277 12.415 966 HD22 LEU 122 HD22 LEU 122 -8.219 -2.934 10.776 967 HD23 LEU 122 HD23 LEU 122 -7.320 -3.756 12.047 968 H ARG 123 H ARG 123 -13.093 -2.288 13.778 969 HA ARG 123 HA ARG 123 -12.495 -3.548 16.251 970 HB2 ARG 123 HB2 ARG 123 -13.080 -1.070 15.733 971 HB3 ARG 123 HB3 ARG 123 -14.761 -1.570 15.767 972 HG2 ARG 123 HG2 ARG 123 -14.189 -0.592 17.892 973 HG3 ARG 123 HG3 ARG 123 -14.452 -2.323 18.136 974 HD2 ARG 123 HD2 ARG 123 -12.133 -2.754 18.383 975 HD3 ARG 123 HD3 ARG 123 -11.671 -1.211 17.660 976 HE ARG 123 HE ARG 123 -12.930 -1.459 20.335 977 HH11 ARG 123 HH11 ARG 123 -10.641 0.079 18.231 978 HH12 ARG 123 HH12 ARG 123 -10.011 1.085 19.486 979 HH21 ARG 123 HH21 ARG 123 -12.119 -0.133 21.909 980 HH22 ARG 123 HH22 ARG 123 -10.835 0.964 21.542 981 H ARG 124 H ARG 124 -15.322 -3.623 14.122 982 HA ARG 124 HA ARG 124 -17.150 -5.013 15.843 983 HB2 ARG 124 HB2 ARG 124 -17.209 -4.979 12.793 984 HB3 ARG 124 HB3 ARG 124 -18.571 -5.237 13.883 985 HG2 ARG 124 HG2 ARG 124 -18.500 -2.901 14.586 986 HG3 ARG 124 HG3 ARG 124 -17.029 -2.636 13.645 987 HD2 ARG 124 HD2 ARG 124 -18.338 -3.217 11.565 988 HD3 ARG 124 HD3 ARG 124 -19.800 -3.237 12.562 989 HE ARG 124 HE ARG 124 -18.650 -0.803 13.061 990 HH11 ARG 124 HH11 ARG 124 -19.703 -2.346 10.138 991 HH12 ARG 124 HH12 ARG 124 -20.136 -0.844 9.400 992 HH21 ARG 124 HH21 ARG 124 -19.209 1.083 12.077 993 HH22 ARG 124 HH22 ARG 124 -19.857 1.054 10.474 994 H THR 125 H THR 125 -15.175 -6.080 13.063 995 HA THR 125 HA THR 125 -15.905 -8.866 13.293 996 HB THR 125 HB THR 125 -15.493 -7.871 11.071 997 HG1 THR 125 HG1 THR 125 -14.978 -10.178 11.554 998 HG21 THR 125 HG21 THR 125 -13.226 -7.327 10.295 999 HG22 THR 125 HG22 THR 125 -12.579 -7.635 11.907 1000 HG23 THR 125 HG23 THR 125 -13.683 -6.282 11.641 1001 H CYS 126 H CYS 126 -13.433 -6.924 14.689 1002 HA CYS 126 HA CYS 126 -11.646 -7.276 16.031 1003 HB2 CYS 126 HB2 CYS 126 -13.267 -8.701 17.288 1004 HB3 CYS 126 HB3 CYS 126 -12.737 -10.100 16.361 1005 HG CYS 126 HG CYS 126 -10.310 -10.367 17.501 1006 H GLY 127 H GLY 127 -11.426 -7.879 13.126 1007 HA2 GLY 127 HA2 GLY 127 -9.657 -8.344 11.715 1008 HA3 GLY 127 HA3 GLY 127 -8.751 -8.978 13.078 1009 H PHE 128 H PHE 128 -11.951 -10.225 12.211 1010 HA PHE 128 HA PHE 128 -10.733 -12.705 11.092 1011 HB2 PHE 128 HB2 PHE 128 -13.116 -12.431 12.975 1012 HB3 PHE 128 HB3 PHE 128 -12.767 -13.910 12.086 1013 HD1 PHE 128 HD1 PHE 128 -10.654 -15.191 12.557 1014 HD2 PHE 128 HD2 PHE 128 -11.856 -11.876 14.990 1015 HE1 PHE 128 HE1 PHE 128 -9.136 -15.947 14.344 1016 HE2 PHE 128 HE2 PHE 128 -10.334 -12.645 16.770 1017 HZ PHE 128 HZ PHE 128 -8.979 -14.678 16.450 1018 H LEU 129 H LEU 129 -10.966 -11.685 8.994 1019 HA LEU 129 HA LEU 129 -13.684 -11.258 7.937 1020 HB2 LEU 129 HB2 LEU 129 -10.940 -10.746 6.707 1021 HB3 LEU 129 HB3 LEU 129 -12.453 -10.460 5.868 1022 HG LEU 129 HG LEU 129 -11.675 -8.337 6.621 1023 HD11 LEU 129 HD11 LEU 129 -14.074 -8.653 6.853 1024 HD12 LEU 129 HD12 LEU 129 -13.461 -7.537 8.067 1025 HD13 LEU 129 HD13 LEU 129 -13.866 -9.194 8.522 1026 HD21 LEU 129 HD21 LEU 129 -11.363 -9.436 9.435 1027 HD22 LEU 129 HD22 LEU 129 -11.111 -7.763 8.931 1028 HD23 LEU 129 HD23 LEU 129 -10.054 -9.029 8.318 1029 H GLU 130 H GLU 130 -14.730 -12.928 7.072 1030 HA GLU 130 HA GLU 130 -15.351 -14.721 5.877 1031 HB2 GLU 130 HB2 GLU 130 -12.646 -14.524 4.495 1032 HB3 GLU 130 HB3 GLU 130 -13.989 -15.529 3.955 1033 HG2 GLU 130 HG2 GLU 130 -15.349 -13.457 3.637 1034 HG3 GLU 130 HG3 GLU 130 -13.938 -12.497 4.080 1035 H HIS 131 H HIS 131 -11.851 -15.435 6.246 1036 HA HIS 131 HA HIS 131 -10.651 -17.126 7.143 1037 HB2 HIS 131 HB2 HIS 131 -11.853 -16.587 9.252 1038 HB3 HIS 131 HB3 HIS 131 -13.159 -17.674 8.803 1039 HD1 HIS 131 HD1 HIS 131 -9.411 -17.878 9.547 1040 HD2 HIS 131 HD2 HIS 131 -12.860 -20.167 9.916 1041 HE1 HIS 131 HE1 HIS 131 -8.711 -19.948 10.772 1042 HE2 HIS 131 HE2 HIS 131 -10.834 -21.248 11.098 1043 H HIS 132 H HIS 132 -12.922 -17.564 4.950 1044 HA HIS 132 HA HIS 132 -13.183 -20.489 4.989 1045 HB2 HIS 132 HB2 HIS 132 -15.178 -19.020 4.620 1046 HB3 HIS 132 HB3 HIS 132 -14.450 -18.432 3.135 1047 HD1 HIS 132 HD1 HIS 132 -15.094 -19.681 1.055 1048 HD2 HIS 132 HD2 HIS 132 -15.758 -21.937 4.482 1049 HE1 HIS 132 HE1 HIS 132 -16.244 -21.770 0.271 1050 HE2 HIS 132 HE2 HIS 132 -16.769 -23.040 2.375 1051 H HIS 133 H HIS 133 -11.099 -18.170 3.569 1052 HA HIS 133 HA HIS 133 -9.700 -20.136 2.029 1053 HB2 HIS 133 HB2 HIS 133 -9.939 -19.026 -0.228 1054 HB3 HIS 133 HB3 HIS 133 -11.403 -19.800 0.352 1055 HD1 HIS 133 HD1 HIS 133 -12.588 -18.281 -1.463 1056 HD2 HIS 133 HD2 HIS 133 -10.961 -16.197 1.740 1057 HE1 HIS 133 HE1 HIS 133 -13.586 -15.985 -1.581 1058 HE2 HIS 133 HE2 HIS 133 -12.629 -14.761 0.388 1059 H HIS 134 H HIS 134 -7.693 -19.361 1.068 1060 HA HIS 134 HA HIS 134 -6.823 -16.607 1.492 1061 HB2 HIS 134 HB2 HIS 134 -6.452 -17.934 3.704 1062 HB3 HIS 134 HB3 HIS 134 -5.218 -18.838 2.834 1063 HD1 HIS 134 HD1 HIS 134 -5.938 -15.429 4.245 1064 HD2 HIS 134 HD2 HIS 134 -2.777 -17.451 2.463 1065 HE1 HIS 134 HE1 HIS 134 -3.938 -13.936 4.521 1066 HE2 HIS 134 HE2 HIS 134 -2.132 -15.062 3.196 1067 H HIS 135 H HIS 135 -7.212 -18.492 -0.765 1068 HA HIS 135 HA HIS 135 -6.336 -19.003 -2.788 1069 HB2 HIS 135 HB2 HIS 135 -3.945 -17.300 -1.972 1070 HB3 HIS 135 HB3 HIS 135 -4.227 -17.922 -3.593 1071 HD1 HIS 135 HD1 HIS 135 -4.590 -15.771 -4.835 1072 HD2 HIS 135 HD2 HIS 135 -6.893 -15.981 -1.382 1073 HE1 HIS 135 HE1 HIS 135 -6.091 -13.763 -4.903 1074 HE2 HIS 135 HE2 HIS 135 -7.578 -14.002 -2.900 1075 H HIS 136 H HIS 136 -5.746 -21.028 -3.245 1076 HA HIS 136 HA HIS 136 -3.435 -22.300 -1.864 1077 HB2 HIS 136 HB2 HIS 136 -5.662 -23.192 -1.151 1078 HB3 HIS 136 HB3 HIS 136 -6.019 -23.618 -2.818 1079 HD1 HIS 136 HD1 HIS 136 -5.462 -25.966 -3.441 1080 HD2 HIS 136 HD2 HIS 136 -3.260 -24.683 -0.155 1081 HE1 HIS 136 HE1 HIS 136 -4.222 -27.988 -2.634 1082 HE2 HIS 136 HE2 HIS 136 -2.780 -27.155 -0.757 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -5.597 20.608 -8.439 2 H2 MET 1 H2 MET 1 -4.932 19.818 -7.106 3 H3 MET 1 H3 MET 1 -4.079 19.874 -8.563 4 HA MET 1 HA MET 1 -3.924 22.295 -8.389 5 HB2 MET 1 HB2 MET 1 -5.039 21.853 -5.583 6 HB3 MET 1 HB3 MET 1 -4.523 23.394 -6.257 7 HG2 MET 1 HG2 MET 1 -6.366 23.293 -7.893 8 HG3 MET 1 HG3 MET 1 -6.862 21.733 -7.240 9 HE1 MET 1 HE1 MET 1 -5.721 25.133 -5.469 10 HE2 MET 1 HE2 MET 1 -7.303 25.780 -5.040 11 HE3 MET 1 HE3 MET 1 -6.849 25.624 -6.735 12 H LYS 2 H LYS 2 -3.483 20.640 -5.215 13 HA LYS 2 HA LYS 2 -0.730 19.905 -5.773 14 HB2 LYS 2 HB2 LYS 2 0.233 21.106 -3.793 15 HB3 LYS 2 HB3 LYS 2 -0.338 22.209 -5.039 16 HG2 LYS 2 HG2 LYS 2 -2.314 22.759 -3.747 17 HG3 LYS 2 HG3 LYS 2 -1.936 21.512 -2.555 18 HD2 LYS 2 HD2 LYS 2 0.105 22.765 -1.899 19 HD3 LYS 2 HD3 LYS 2 -0.286 24.021 -3.082 20 HE2 LYS 2 HE2 LYS 2 -2.361 24.541 -1.863 21 HE3 LYS 2 HE3 LYS 2 -2.032 23.244 -0.711 22 HZ1 LYS 2 HZ1 LYS 2 -1.426 25.400 0.159 23 HZ2 LYS 2 HZ2 LYS 2 -0.355 25.657 -1.123 24 HZ3 LYS 2 HZ3 LYS 2 -0.061 24.422 -0.006 25 H LYS 3 H LYS 3 -0.352 17.953 -4.794 26 HA LYS 3 HA LYS 3 -2.471 16.758 -3.220 27 HB2 LYS 3 HB2 LYS 3 0.173 15.627 -4.199 28 HB3 LYS 3 HB3 LYS 3 -1.078 14.677 -3.394 29 HG2 LYS 3 HG2 LYS 3 -1.635 16.244 -5.915 30 HG3 LYS 3 HG3 LYS 3 -0.982 14.600 -5.965 31 HD2 LYS 3 HD2 LYS 3 -3.005 13.864 -4.642 32 HD3 LYS 3 HD3 LYS 3 -3.641 15.507 -4.797 33 HE2 LYS 3 HE2 LYS 3 -3.073 13.553 -7.054 34 HE3 LYS 3 HE3 LYS 3 -4.657 14.082 -6.488 35 HZ1 LYS 3 HZ1 LYS 3 -3.980 16.375 -7.163 36 HZ2 LYS 3 HZ2 LYS 3 -4.142 15.288 -8.444 37 HZ3 LYS 3 HZ3 LYS 3 -2.604 15.707 -7.885 38 H GLU 4 H GLU 4 -2.471 16.170 -1.132 39 HA GLU 4 HA GLU 4 -0.234 16.960 0.628 40 HB2 GLU 4 HB2 GLU 4 -2.457 17.909 1.192 41 HB3 GLU 4 HB3 GLU 4 -3.134 16.288 1.309 42 HG2 GLU 4 HG2 GLU 4 -1.553 15.814 3.189 43 HG3 GLU 4 HG3 GLU 4 -0.997 17.481 3.099 44 H LYS 5 H LYS 5 1.127 15.358 1.129 45 HA LYS 5 HA LYS 5 0.522 12.563 0.942 46 HB2 LYS 5 HB2 LYS 5 2.738 13.471 0.432 47 HB3 LYS 5 HB3 LYS 5 2.915 14.081 2.065 48 HG2 LYS 5 HG2 LYS 5 2.562 11.119 1.659 49 HG3 LYS 5 HG3 LYS 5 4.118 11.847 1.260 50 HD2 LYS 5 HD2 LYS 5 2.745 11.967 3.983 51 HD3 LYS 5 HD3 LYS 5 4.096 10.913 3.555 52 HE2 LYS 5 HE2 LYS 5 4.139 13.950 3.687 53 HE3 LYS 5 HE3 LYS 5 4.912 12.835 4.816 54 HZ1 LYS 5 HZ1 LYS 5 6.300 12.047 2.951 55 HZ2 LYS 5 HZ2 LYS 5 6.535 13.681 3.302 56 HZ3 LYS 5 HZ3 LYS 5 5.617 13.232 1.957 57 H ILE 6 H ILE 6 0.033 11.118 2.565 58 HA ILE 6 HA ILE 6 -0.335 11.917 5.355 59 HB ILE 6 HB ILE 6 -2.712 11.293 5.506 60 HG12 ILE 6 HG12 ILE 6 -2.560 10.783 2.502 61 HG13 ILE 6 HG13 ILE 6 -2.939 9.617 3.776 62 HG21 ILE 6 HG21 ILE 6 -2.376 13.409 3.352 63 HG22 ILE 6 HG22 ILE 6 -2.257 13.668 5.092 64 HG23 ILE 6 HG23 ILE 6 -3.796 13.191 4.381 65 HD11 ILE 6 HD11 ILE 6 -5.073 10.761 4.170 66 HD12 ILE 6 HD12 ILE 6 -4.908 10.215 2.500 67 HD13 ILE 6 HD13 ILE 6 -4.690 11.919 2.892 68 H HIS 7 H HIS 7 -0.324 10.085 6.751 69 HA HIS 7 HA HIS 7 -0.193 7.407 5.469 70 HB2 HIS 7 HB2 HIS 7 1.259 6.693 7.370 71 HB3 HIS 7 HB3 HIS 7 1.971 7.972 6.395 72 HD1 HIS 7 HD1 HIS 7 0.546 7.303 9.789 73 HD2 HIS 7 HD2 HIS 7 2.412 10.395 7.737 74 HE1 HIS 7 HE1 HIS 7 1.115 9.013 11.529 75 HE2 HIS 7 HE2 HIS 7 2.129 10.923 10.256 76 H LEU 8 H LEU 8 -1.633 5.929 6.038 77 HA LEU 8 HA LEU 8 -3.446 6.391 8.326 78 HB2 LEU 8 HB2 LEU 8 -3.904 4.663 5.852 79 HB3 LEU 8 HB3 LEU 8 -5.049 4.898 7.157 80 HG LEU 8 HG LEU 8 -5.833 6.220 5.345 81 HD11 LEU 8 HD11 LEU 8 -5.803 8.513 6.176 82 HD12 LEU 8 HD12 LEU 8 -4.447 8.127 7.240 83 HD13 LEU 8 HD13 LEU 8 -6.015 7.353 7.487 84 HD21 LEU 8 HD21 LEU 8 -3.074 7.449 5.039 85 HD22 LEU 8 HD22 LEU 8 -4.514 7.873 4.108 86 HD23 LEU 8 HD23 LEU 8 -3.815 6.262 3.960 87 H GLU 9 H GLU 9 -3.256 4.985 10.032 88 HA GLU 9 HA GLU 9 -1.454 2.654 9.794 89 HB2 GLU 9 HB2 GLU 9 -0.908 4.310 11.524 90 HB3 GLU 9 HB3 GLU 9 -2.518 4.158 12.220 91 HG2 GLU 9 HG2 GLU 9 -1.973 1.750 12.757 92 HG3 GLU 9 HG3 GLU 9 -0.324 2.066 12.215 93 H TYR 10 H TYR 10 -2.408 0.697 9.505 94 HA TYR 10 HA TYR 10 -5.236 0.263 10.240 95 HB2 TYR 10 HB2 TYR 10 -3.463 -1.224 8.249 96 HB3 TYR 10 HB3 TYR 10 -5.148 -1.610 8.574 97 HD1 TYR 10 HD1 TYR 10 -6.963 -0.147 7.715 98 HD2 TYR 10 HD2 TYR 10 -2.861 0.760 6.909 99 HE1 TYR 10 HE1 TYR 10 -7.654 1.418 5.952 100 HE2 TYR 10 HE2 TYR 10 -3.556 2.329 5.149 101 HH TYR 10 HH TYR 10 -5.510 2.731 3.675 102 H LEU 11 H LEU 11 -5.814 -1.317 11.677 103 HA LEU 11 HA LEU 11 -3.705 -2.702 13.172 104 HB2 LEU 11 HB2 LEU 11 -6.678 -2.366 13.761 105 HB3 LEU 11 HB3 LEU 11 -5.556 -3.232 14.796 106 HG LEU 11 HG LEU 11 -4.282 -1.015 15.053 107 HD11 LEU 11 HD11 LEU 11 -5.510 1.079 14.673 108 HD12 LEU 11 HD12 LEU 11 -6.812 0.185 13.884 109 HD13 LEU 11 HD13 LEU 11 -5.205 0.230 13.156 110 HD21 LEU 11 HD21 LEU 11 -5.773 -0.185 16.818 111 HD22 LEU 11 HD22 LEU 11 -5.682 -1.945 16.845 112 HD23 LEU 11 HD23 LEU 11 -7.103 -1.148 16.167 113 H LEU 12 H LEU 12 -3.122 -4.544 12.082 114 HA LEU 12 HA LEU 12 -5.209 -6.622 11.659 115 HB2 LEU 12 HB2 LEU 12 -2.777 -6.029 9.925 116 HB3 LEU 12 HB3 LEU 12 -3.572 -7.590 9.889 117 HG LEU 12 HG LEU 12 -4.394 -6.433 8.009 118 HD11 LEU 12 HD11 LEU 12 -6.120 -7.615 9.260 119 HD12 LEU 12 HD12 LEU 12 -6.780 -6.235 8.381 120 HD13 LEU 12 HD13 LEU 12 -6.526 -6.130 10.127 121 HD21 LEU 12 HD21 LEU 12 -3.663 -4.175 8.551 122 HD22 LEU 12 HD22 LEU 12 -4.961 -4.009 9.735 123 HD23 LEU 12 HD23 LEU 12 -5.343 -4.176 8.020 124 H ASN 13 H ASN 13 -4.912 -8.465 12.768 125 HA ASN 13 HA ASN 13 -2.200 -9.261 13.607 126 HB2 ASN 13 HB2 ASN 13 -3.066 -9.947 15.846 127 HB3 ASN 13 HB3 ASN 13 -3.178 -8.214 15.584 128 HD21 ASN 13 HD21 ASN 13 -5.238 -7.274 15.256 129 HD22 ASN 13 HD22 ASN 13 -6.680 -8.089 15.742 130 H ALA 14 H ALA 14 -1.909 -11.491 14.019 131 HA ALA 14 HA ALA 14 -2.024 -13.706 13.688 132 HB1 ALA 14 HB1 ALA 14 -4.162 -14.895 13.657 133 HB2 ALA 14 HB2 ALA 14 -5.029 -13.384 13.367 134 HB3 ALA 14 HB3 ALA 14 -4.185 -13.637 14.895 135 H THR 15 H THR 15 -1.583 -15.034 12.023 136 HA THR 15 HA THR 15 -1.259 -15.916 9.988 137 HB THR 15 HB THR 15 -3.894 -14.613 9.175 138 HG1 THR 15 HG1 THR 15 -3.911 -17.304 9.736 139 HG21 THR 15 HG21 THR 15 -4.037 -16.438 7.499 140 HG22 THR 15 HG22 THR 15 -2.425 -16.991 7.958 141 HG23 THR 15 HG23 THR 15 -2.632 -15.408 7.202 142 H SER 16 H SER 16 -2.829 -12.931 8.756 143 HA SER 16 HA SER 16 -0.598 -12.539 6.900 144 HB2 SER 16 HB2 SER 16 -3.289 -11.122 7.106 145 HB3 SER 16 HB3 SER 16 -2.100 -10.855 5.831 146 HG SER 16 HG SER 16 -3.949 -12.461 5.556 147 H LYS 17 H LYS 17 1.070 -11.664 8.027 148 HA LYS 17 HA LYS 17 0.727 -9.310 9.750 149 HB2 LYS 17 HB2 LYS 17 3.089 -11.176 9.298 150 HB3 LYS 17 HB3 LYS 17 3.107 -9.805 10.399 151 HG2 LYS 17 HG2 LYS 17 1.367 -10.832 11.770 152 HG3 LYS 17 HG3 LYS 17 1.233 -12.177 10.629 153 HD2 LYS 17 HD2 LYS 17 3.545 -12.861 11.135 154 HD3 LYS 17 HD3 LYS 17 3.734 -11.486 12.231 155 HE2 LYS 17 HE2 LYS 17 2.030 -12.414 13.729 156 HE3 LYS 17 HE3 LYS 17 1.727 -13.743 12.604 157 HZ1 LYS 17 HZ1 LYS 17 3.954 -14.540 12.966 158 HZ2 LYS 17 HZ2 LYS 17 3.164 -14.377 14.452 159 HZ3 LYS 17 HZ3 LYS 17 4.308 -13.230 13.972 160 H ASN 18 H ASN 18 3.781 -9.814 8.022 161 HA ASN 18 HA ASN 18 3.646 -7.279 6.675 162 HB2 ASN 18 HB2 ASN 18 5.801 -7.948 5.622 163 HB3 ASN 18 HB3 ASN 18 5.824 -8.138 7.372 164 HD21 ASN 18 HD21 ASN 18 7.446 -9.450 5.230 165 HD22 ASN 18 HD22 ASN 18 7.248 -11.146 5.486 166 H ILE 19 H ILE 19 2.742 -10.510 5.878 167 HA ILE 19 HA ILE 19 2.971 -10.759 3.140 168 HB ILE 19 HB ILE 19 0.691 -11.919 4.817 169 HG12 ILE 19 HG12 ILE 19 2.322 -14.056 4.649 170 HG13 ILE 19 HG13 ILE 19 3.566 -12.824 4.480 171 HG21 ILE 19 HG21 ILE 19 1.782 -12.877 2.143 172 HG22 ILE 19 HG22 ILE 19 0.209 -12.127 2.428 173 HG23 ILE 19 HG23 ILE 19 0.564 -13.712 3.114 174 HD11 ILE 19 HD11 ILE 19 1.665 -13.138 6.801 175 HD12 ILE 19 HD12 ILE 19 2.914 -11.898 6.650 176 HD13 ILE 19 HD13 ILE 19 3.368 -13.599 6.757 177 H LEU 20 H LEU 20 0.564 -8.948 4.919 178 HA LEU 20 HA LEU 20 -1.664 -8.660 3.378 179 HB2 LEU 20 HB2 LEU 20 -0.136 -6.496 4.872 180 HB3 LEU 20 HB3 LEU 20 -1.782 -6.283 4.288 181 HG LEU 20 HG LEU 20 -1.023 -8.451 6.288 182 HD11 LEU 20 HD11 LEU 20 -2.084 -5.678 6.910 183 HD12 LEU 20 HD12 LEU 20 -0.456 -6.271 7.256 184 HD13 LEU 20 HD13 LEU 20 -1.844 -6.993 8.064 185 HD21 LEU 20 HD21 LEU 20 -3.723 -7.243 5.559 186 HD22 LEU 20 HD22 LEU 20 -3.436 -8.491 6.774 187 HD23 LEU 20 HD23 LEU 20 -3.133 -8.837 5.074 188 H TRP 21 H TRP 21 0.999 -6.277 3.161 189 HA TRP 21 HA TRP 21 0.277 -5.679 0.370 190 HB2 TRP 21 HB2 TRP 21 1.652 -4.080 2.523 191 HB3 TRP 21 HB3 TRP 21 1.832 -3.633 0.830 192 HD1 TRP 21 HD1 TRP 21 -0.932 -3.888 3.553 193 HE1 TRP 21 HE1 TRP 21 -2.862 -2.336 2.848 194 HE3 TRP 21 HE3 TRP 21 0.733 -2.559 -1.099 195 HZ2 TRP 21 HZ2 TRP 21 -3.587 -0.759 0.616 196 HZ3 TRP 21 HZ3 TRP 21 -0.629 -1.023 -2.458 197 HH2 TRP 21 HH2 TRP 21 -2.745 -0.136 -1.619 198 H SER 22 H SER 22 2.749 -7.303 2.154 199 HA SER 22 HA SER 22 5.076 -6.749 0.684 200 HB2 SER 22 HB2 SER 22 5.130 -8.047 2.770 201 HB3 SER 22 HB3 SER 22 4.301 -9.390 1.987 202 HG SER 22 HG SER 22 6.248 -10.043 1.557 203 H ALA 23 H ALA 23 2.327 -8.536 -0.343 204 HA ALA 23 HA ALA 23 3.213 -10.206 -2.363 205 HB1 ALA 23 HB1 ALA 23 0.879 -10.041 -1.598 206 HB2 ALA 23 HB2 ALA 23 0.978 -9.884 -3.353 207 HB3 ALA 23 HB3 ALA 23 0.739 -8.451 -2.349 208 H ILE 24 H ILE 24 2.846 -6.657 -2.460 209 HA ILE 24 HA ILE 24 3.142 -6.321 -5.284 210 HB ILE 24 HB ILE 24 3.324 -3.914 -4.867 211 HG12 ILE 24 HG12 ILE 24 3.737 -4.723 -1.957 212 HG13 ILE 24 HG13 ILE 24 4.831 -3.801 -2.970 213 HG21 ILE 24 HG21 ILE 24 1.192 -3.551 -3.685 214 HG22 ILE 24 HG22 ILE 24 1.254 -5.193 -3.045 215 HG23 ILE 24 HG23 ILE 24 1.083 -4.929 -4.783 216 HD11 ILE 24 HD11 ILE 24 3.820 -2.375 -1.352 217 HD12 ILE 24 HD12 ILE 24 2.204 -2.893 -1.821 218 HD13 ILE 24 HD13 ILE 24 3.185 -1.937 -2.940 219 H SER 25 H SER 25 5.513 -6.938 -2.867 220 HA SER 25 HA SER 25 7.747 -5.647 -4.201 221 HB2 SER 25 HB2 SER 25 9.122 -6.542 -2.470 222 HB3 SER 25 HB3 SER 25 7.584 -6.209 -1.682 223 HG SER 25 HG SER 25 7.400 -8.258 -1.248 224 H THR 26 H THR 26 6.067 -8.636 -4.513 225 HA THR 26 HA THR 26 8.212 -9.887 -6.148 226 HB THR 26 HB THR 26 7.083 -12.077 -5.639 227 HG1 THR 26 HG1 THR 26 5.393 -10.378 -4.142 228 HG21 THR 26 HG21 THR 26 9.031 -11.423 -4.309 229 HG22 THR 26 HG22 THR 26 7.871 -12.302 -3.311 230 HG23 THR 26 HG23 THR 26 7.994 -10.545 -3.178 231 HA PRO 27 HA PRO 27 5.478 -9.904 -9.797 232 HB2 PRO 27 HB2 PRO 27 6.200 -12.452 -10.776 233 HB3 PRO 27 HB3 PRO 27 7.058 -10.941 -11.119 234 HG2 PRO 27 HG2 PRO 27 7.637 -13.014 -8.989 235 HG3 PRO 27 HG3 PRO 27 8.765 -12.185 -10.088 236 HD2 PRO 27 HD2 PRO 27 8.559 -11.392 -7.571 237 HD3 PRO 27 HD3 PRO 27 8.651 -10.167 -8.860 238 H THR 28 H THR 28 5.621 -13.287 -8.522 239 HA THR 28 HA THR 28 3.064 -14.081 -9.229 240 HB THR 28 HB THR 28 3.323 -15.943 -7.590 241 HG1 THR 28 HG1 THR 28 4.836 -15.881 -6.036 242 HG21 THR 28 HG21 THR 28 5.441 -16.880 -8.458 243 HG22 THR 28 HG22 THR 28 5.904 -15.289 -9.067 244 HG23 THR 28 HG23 THR 28 4.508 -16.123 -9.753 245 H GLY 29 H GLY 29 4.040 -12.441 -6.262 246 HA2 GLY 29 HA2 GLY 29 1.546 -12.702 -4.854 247 HA3 GLY 29 HA3 GLY 29 2.858 -11.600 -4.469 248 H LEU 30 H LEU 30 2.965 -10.119 -6.870 249 HA LEU 30 HA LEU 30 1.042 -8.106 -6.273 250 HB2 LEU 30 HB2 LEU 30 3.475 -8.021 -7.375 251 HB3 LEU 30 HB3 LEU 30 2.577 -8.113 -8.874 252 HG LEU 30 HG LEU 30 2.108 -5.922 -6.816 253 HD11 LEU 30 HD11 LEU 30 3.920 -5.789 -9.248 254 HD12 LEU 30 HD12 LEU 30 4.447 -5.813 -7.563 255 HD13 LEU 30 HD13 LEU 30 3.513 -4.447 -8.170 256 HD21 LEU 30 HD21 LEU 30 1.091 -4.704 -8.680 257 HD22 LEU 30 HD22 LEU 30 0.269 -6.232 -8.388 258 HD23 LEU 30 HD23 LEU 30 1.378 -6.079 -9.753 259 H GLU 31 H GLU 31 1.383 -10.306 -9.082 260 HA GLU 31 HA GLU 31 -1.015 -9.494 -10.425 261 HB2 GLU 31 HB2 GLU 31 -0.652 -11.480 -11.847 262 HB3 GLU 31 HB3 GLU 31 0.833 -10.561 -11.621 263 HG2 GLU 31 HG2 GLU 31 1.602 -12.189 -9.931 264 HG3 GLU 31 HG3 GLU 31 0.112 -13.115 -10.142 265 H ASP 32 H ASP 32 -0.729 -11.247 -7.556 266 HA ASP 32 HA ASP 32 -2.912 -13.099 -7.990 267 HB2 ASP 32 HB2 ASP 32 -0.871 -13.507 -6.488 268 HB3 ASP 32 HB3 ASP 32 -1.606 -12.397 -5.334 269 H TRP 33 H TRP 33 -2.676 -9.776 -7.048 270 HA TRP 33 HA TRP 33 -5.533 -9.710 -6.351 271 HB2 TRP 33 HB2 TRP 33 -5.223 -8.475 -4.283 272 HB3 TRP 33 HB3 TRP 33 -4.327 -9.982 -4.190 273 HD1 TRP 33 HD1 TRP 33 -1.584 -8.971 -5.619 274 HE1 TRP 33 HE1 TRP 33 -0.052 -7.371 -4.322 275 HE3 TRP 33 HE3 TRP 33 -4.991 -7.111 -2.282 276 HZ2 TRP 33 HZ2 TRP 33 -0.247 -5.572 -2.144 277 HZ3 TRP 33 HZ3 TRP 33 -4.234 -5.459 -0.616 278 HH2 TRP 33 HH2 TRP 33 -1.907 -4.705 -0.550 279 H PHE 34 H PHE 34 -3.101 -8.304 -8.162 280 HA PHE 34 HA PHE 34 -4.455 -5.655 -8.243 281 HB2 PHE 34 HB2 PHE 34 -2.082 -5.598 -7.462 282 HB3 PHE 34 HB3 PHE 34 -1.564 -6.312 -8.981 283 HD1 PHE 34 HD2 PHE 34 -3.118 -3.267 -7.469 284 HD2 PHE 34 HD1 PHE 34 -1.170 -4.905 -10.912 285 HE1 PHE 34 HE2 PHE 34 -2.859 -1.014 -8.408 286 HE2 PHE 34 HE1 PHE 34 -0.910 -2.640 -11.836 287 HZ PHE 34 HZ PHE 34 -1.760 -0.695 -10.589 288 H ALA 35 H ALA 35 -2.277 -7.346 -10.555 289 HA ALA 35 HA ALA 35 -4.168 -6.753 -12.772 290 HB1 ALA 35 HB1 ALA 35 -1.897 -5.765 -12.986 291 HB2 ALA 35 HB2 ALA 35 -2.224 -6.933 -14.269 292 HB3 ALA 35 HB3 ALA 35 -1.191 -7.384 -12.909 293 H ASP 36 H ASP 36 -3.838 -8.462 -14.671 294 HA ASP 36 HA ASP 36 -4.602 -11.081 -13.815 295 HB2 ASP 36 HB2 ASP 36 -3.643 -10.049 -16.528 296 HB3 ASP 36 HB3 ASP 36 -4.315 -11.658 -16.261 297 H LYS 37 H LYS 37 -1.699 -9.949 -15.493 298 HA LYS 37 HA LYS 37 0.019 -11.841 -14.013 299 HB2 LYS 37 HB2 LYS 37 -0.370 -12.775 -16.269 300 HB3 LYS 37 HB3 LYS 37 0.113 -11.244 -17.004 301 HG2 LYS 37 HG2 LYS 37 2.381 -11.530 -16.038 302 HG3 LYS 37 HG3 LYS 37 1.888 -13.089 -15.376 303 HD2 LYS 37 HD2 LYS 37 1.840 -12.431 -18.340 304 HD3 LYS 37 HD3 LYS 37 3.227 -13.159 -17.535 305 HE2 LYS 37 HE2 LYS 37 2.041 -14.955 -18.550 306 HE3 LYS 37 HE3 LYS 37 1.672 -15.054 -16.834 307 HZ1 LYS 37 HZ1 LYS 37 -0.275 -15.398 -18.235 308 HZ2 LYS 37 HZ2 LYS 37 -0.093 -13.850 -18.893 309 HZ3 LYS 37 HZ3 LYS 37 -0.461 -14.032 -17.256 310 H VAL 38 H VAL 38 2.033 -10.887 -13.396 311 HA VAL 38 HA VAL 38 2.717 -8.289 -14.648 312 HB VAL 38 HB VAL 38 3.612 -7.396 -12.559 313 HG11 VAL 38 HG11 VAL 38 0.742 -8.315 -12.141 314 HG12 VAL 38 HG12 VAL 38 1.246 -6.898 -13.063 315 HG13 VAL 38 HG13 VAL 38 1.526 -6.958 -11.321 316 HG21 VAL 38 HG21 VAL 38 2.592 -9.900 -11.173 317 HG22 VAL 38 HG22 VAL 38 3.267 -8.484 -10.365 318 HG23 VAL 38 HG23 VAL 38 4.285 -9.465 -11.416 319 H VAL 39 H VAL 39 4.546 -8.477 -15.749 320 HA VAL 39 HA VAL 39 6.551 -10.520 -15.045 321 HB VAL 39 HB VAL 39 6.394 -8.678 -17.483 322 HG11 VAL 39 HG11 VAL 39 8.137 -11.141 -17.035 323 HG12 VAL 39 HG12 VAL 39 8.700 -9.469 -17.089 324 HG13 VAL 39 HG13 VAL 39 8.027 -10.217 -18.537 325 HG21 VAL 39 HG21 VAL 39 4.448 -10.185 -17.430 326 HG22 VAL 39 HG22 VAL 39 5.504 -11.585 -17.228 327 HG23 VAL 39 HG23 VAL 39 5.547 -10.657 -18.730 328 H SER 40 H SER 40 8.154 -9.904 -13.704 329 HA SER 40 HA SER 40 8.668 -7.042 -13.216 330 HB2 SER 40 HB2 SER 40 9.828 -7.832 -11.160 331 HB3 SER 40 HB3 SER 40 8.180 -8.448 -11.253 332 HG SER 40 HG SER 40 10.617 -9.794 -11.495 333 H ASP 41 H ASP 41 10.271 -6.099 -14.285 334 HA ASP 41 HA ASP 41 12.384 -7.395 -15.665 335 HB2 ASP 41 HB2 ASP 41 12.122 -4.469 -14.849 336 HB3 ASP 41 HB3 ASP 41 13.188 -5.094 -16.108 337 H ASP 42 H ASP 42 12.785 -5.046 -12.990 338 HA ASP 42 HA ASP 42 14.294 -6.813 -11.339 339 HB2 ASP 42 HB2 ASP 42 16.484 -5.568 -11.412 340 HB3 ASP 42 HB3 ASP 42 16.108 -6.444 -12.892 341 H LYS 43 H LYS 43 14.343 -3.242 -11.866 342 HA LYS 43 HA LYS 43 12.962 -2.842 -9.273 343 HB2 LYS 43 HB2 LYS 43 14.970 -1.028 -10.700 344 HB3 LYS 43 HB3 LYS 43 14.060 -0.570 -9.257 345 HG2 LYS 43 HG2 LYS 43 15.160 -2.452 -8.023 346 HG3 LYS 43 HG3 LYS 43 16.118 -2.793 -9.472 347 HD2 LYS 43 HD2 LYS 43 17.125 -0.533 -9.335 348 HD3 LYS 43 HD3 LYS 43 16.157 -0.184 -7.898 349 HE2 LYS 43 HE2 LYS 43 17.299 -2.048 -6.711 350 HE3 LYS 43 HE3 LYS 43 18.289 -2.334 -8.144 351 HZ1 LYS 43 HZ1 LYS 43 19.175 -0.095 -7.909 352 HZ2 LYS 43 HZ2 LYS 43 19.457 -1.020 -6.520 353 HZ3 LYS 43 HZ3 LYS 43 18.238 0.147 -6.527 354 H THR 44 H THR 44 11.927 -3.412 -11.935 355 HA THR 44 HA THR 44 9.859 -1.355 -12.004 356 HB THR 44 HB THR 44 11.341 -2.250 -14.523 357 HG1 THR 44 HG1 THR 44 11.462 -0.013 -12.927 358 HG21 THR 44 HG21 THR 44 8.883 -0.469 -14.321 359 HG22 THR 44 HG22 THR 44 8.914 -2.100 -14.997 360 HG23 THR 44 HG23 THR 44 9.797 -0.796 -15.795 361 H VAL 45 H VAL 45 7.914 -2.343 -12.053 362 HA VAL 45 HA VAL 45 7.716 -5.178 -12.901 363 HB VAL 45 HB VAL 45 5.816 -3.618 -11.083 364 HG11 VAL 45 HG11 VAL 45 4.781 -5.838 -10.634 365 HG12 VAL 45 HG12 VAL 45 5.845 -6.572 -11.832 366 HG13 VAL 45 HG13 VAL 45 4.640 -5.382 -12.334 367 HG21 VAL 45 HG21 VAL 45 6.702 -5.011 -9.232 368 HG22 VAL 45 HG22 VAL 45 7.978 -4.027 -9.953 369 HG23 VAL 45 HG23 VAL 45 7.868 -5.748 -10.337 370 H THR 46 H THR 46 6.756 -5.516 -14.799 371 HA THR 46 HA THR 46 5.122 -3.468 -16.120 372 HB THR 46 HB THR 46 6.053 -6.194 -17.163 373 HG1 THR 46 HG1 THR 46 7.883 -5.012 -16.944 374 HG21 THR 46 HG21 THR 46 5.517 -5.293 -19.405 375 HG22 THR 46 HG22 THR 46 4.926 -3.797 -18.681 376 HG23 THR 46 HG23 THR 46 4.073 -5.317 -18.388 377 H PHE 47 H PHE 47 3.018 -3.496 -15.488 378 HA PHE 47 HA PHE 47 1.614 -5.893 -14.643 379 HB2 PHE 47 HB2 PHE 47 0.278 -3.226 -15.230 380 HB3 PHE 47 HB3 PHE 47 -0.232 -4.484 -14.107 381 HD1 PHE 47 HD1 PHE 47 1.867 -4.967 -12.269 382 HD2 PHE 47 HD2 PHE 47 0.889 -1.271 -14.180 383 HE1 PHE 47 HE1 PHE 47 2.892 -3.729 -10.410 384 HE2 PHE 47 HE2 PHE 47 1.916 -0.048 -12.322 385 HZ PHE 47 HZ PHE 47 2.918 -1.269 -10.430 386 H CYS 48 H CYS 48 0.436 -7.151 -15.965 387 HA CYS 48 HA CYS 48 -0.157 -6.328 -18.747 388 HB2 CYS 48 HB2 CYS 48 0.599 -9.116 -17.762 389 HB3 CYS 48 HB3 CYS 48 0.322 -8.636 -19.440 390 HG CYS 48 HG CYS 48 2.766 -7.076 -17.669 391 H TRP 49 H TRP 49 -2.292 -6.059 -18.891 392 HA TRP 49 HA TRP 49 -4.184 -7.781 -17.408 393 HB2 TRP 49 HB2 TRP 49 -4.539 -5.059 -18.738 394 HB3 TRP 49 HB3 TRP 49 -5.866 -5.985 -18.039 395 HD1 TRP 49 HD1 TRP 49 -5.715 -6.405 -15.297 396 HE1 TRP 49 HE1 TRP 49 -4.810 -4.839 -13.473 397 HE3 TRP 49 HE3 TRP 49 -2.815 -3.352 -18.206 398 HZ2 TRP 49 HZ2 TRP 49 -3.099 -2.611 -13.278 399 HZ3 TRP 49 HZ3 TRP 49 -1.575 -1.517 -17.125 400 HH2 TRP 49 HH2 TRP 49 -1.715 -1.154 -14.704 401 H GLY 50 H GLY 50 -6.443 -7.682 -18.869 402 HA2 GLY 50 HA2 GLY 50 -6.126 -9.299 -21.194 403 HA3 GLY 50 HA3 GLY 50 -7.590 -8.462 -20.706 404 H LYS 51 H LYS 51 -6.390 -8.817 -23.393 405 HA LYS 51 HA LYS 51 -6.168 -7.724 -25.356 406 HB2 LYS 51 HB2 LYS 51 -8.251 -6.542 -24.266 407 HB3 LYS 51 HB3 LYS 51 -7.177 -5.160 -24.081 408 HG2 LYS 51 HG2 LYS 51 -6.867 -5.044 -26.509 409 HG3 LYS 51 HG3 LYS 51 -7.836 -6.508 -26.726 410 HD2 LYS 51 HD2 LYS 51 -9.800 -5.304 -25.733 411 HD3 LYS 51 HD3 LYS 51 -8.823 -3.835 -25.641 412 HE2 LYS 51 HE2 LYS 51 -8.622 -3.792 -28.083 413 HE3 LYS 51 HE3 LYS 51 -9.503 -5.318 -28.208 414 HZ1 LYS 51 HZ1 LYS 51 -11.424 -4.215 -27.213 415 HZ2 LYS 51 HZ2 LYS 51 -10.959 -3.466 -28.653 416 HZ3 LYS 51 HZ3 LYS 51 -10.580 -2.759 -27.164 417 H THR 52 H THR 52 -5.403 -4.763 -25.661 418 HA THR 52 HA THR 52 -2.515 -5.165 -25.415 419 HB THR 52 HB THR 52 -2.371 -3.072 -26.794 420 HG1 THR 52 HG1 THR 52 -4.234 -2.035 -27.456 421 HG21 THR 52 HG21 THR 52 -2.547 -5.255 -27.955 422 HG22 THR 52 HG22 THR 52 -3.365 -3.988 -28.870 423 HG23 THR 52 HG23 THR 52 -4.309 -5.138 -27.918 424 H GLU 53 H GLU 53 -4.185 -4.542 -22.968 425 HA GLU 53 HA GLU 53 -3.253 -1.904 -22.115 426 HB2 GLU 53 HB2 GLU 53 -5.290 -3.863 -21.020 427 HB3 GLU 53 HB3 GLU 53 -4.675 -2.564 -20.007 428 HG2 GLU 53 HG2 GLU 53 -5.909 -2.005 -22.721 429 HG3 GLU 53 HG3 GLU 53 -6.897 -2.178 -21.271 430 H GLN 54 H GLN 54 -1.134 -2.056 -21.640 431 HA GLN 54 HA GLN 54 -0.455 -3.490 -19.177 432 HB2 GLN 54 HB2 GLN 54 1.640 -4.364 -20.046 433 HB3 GLN 54 HB3 GLN 54 0.314 -4.930 -21.060 434 HG2 GLN 54 HG2 GLN 54 0.895 -3.292 -22.793 435 HG3 GLN 54 HG3 GLN 54 2.174 -2.631 -21.776 436 HE21 GLN 54 HE21 GLN 54 4.056 -3.907 -21.418 437 HE22 GLN 54 HE22 GLN 54 4.480 -5.186 -22.497 438 H ARG 55 H ARG 55 0.856 -2.334 -17.801 439 HA ARG 55 HA ARG 55 2.081 0.203 -18.710 440 HB2 ARG 55 HB2 ARG 55 -0.219 -0.081 -16.847 441 HB3 ARG 55 HB3 ARG 55 1.108 0.800 -16.112 442 HG2 ARG 55 HG2 ARG 55 -0.361 2.408 -17.072 443 HG3 ARG 55 HG3 ARG 55 1.091 2.373 -18.068 444 HD2 ARG 55 HD2 ARG 55 -0.168 0.877 -19.680 445 HD3 ARG 55 HD3 ARG 55 -1.624 1.171 -18.720 446 HE ARG 55 HE ARG 55 -0.513 3.638 -19.372 447 HH11 ARG 55 HH11 ARG 55 -2.126 1.067 -21.058 448 HH12 ARG 55 HH12 ARG 55 -2.587 2.101 -22.361 449 HH21 ARG 55 HH21 ARG 55 -1.089 4.894 -21.010 450 HH22 ARG 55 HH22 ARG 55 -2.000 4.255 -22.335 451 H GLN 56 H GLN 56 4.097 0.571 -17.791 452 HA GLN 56 HA GLN 56 5.117 -1.388 -15.826 453 HB2 GLN 56 HB2 GLN 56 6.605 0.694 -17.490 454 HB3 GLN 56 HB3 GLN 56 7.363 -0.431 -16.362 455 HG2 GLN 56 HG2 GLN 56 6.431 -2.317 -17.776 456 HG3 GLN 56 HG3 GLN 56 5.941 -1.097 -18.953 457 HE21 GLN 56 HE21 GLN 56 8.663 -2.785 -17.526 458 HE22 GLN 56 HE22 GLN 56 9.841 -2.255 -18.672 459 H ALA 57 H ALA 57 6.147 -0.724 -13.879 460 HA ALA 57 HA ALA 57 5.973 2.114 -13.057 461 HB1 ALA 57 HB1 ALA 57 5.018 -0.193 -11.315 462 HB2 ALA 57 HB2 ALA 57 3.975 0.977 -12.126 463 HB3 ALA 57 HB3 ALA 57 5.078 1.513 -10.856 464 H GLY 58 H GLY 58 7.924 2.757 -12.444 465 HA2 GLY 58 HA2 GLY 58 10.088 0.945 -11.772 466 HA3 GLY 58 HA3 GLY 58 10.165 2.690 -11.924 467 H ILE 59 H ILE 59 10.408 0.213 -9.747 468 HA ILE 59 HA ILE 59 9.375 1.407 -7.366 469 HB ILE 59 HB ILE 59 11.509 -0.769 -7.681 470 HG12 ILE 59 HG12 ILE 59 9.643 -2.269 -6.737 471 HG13 ILE 59 HG13 ILE 59 8.535 -0.927 -6.985 472 HG21 ILE 59 HG21 ILE 59 11.880 0.419 -5.551 473 HG22 ILE 59 HG22 ILE 59 11.269 -1.210 -5.248 474 HG23 ILE 59 HG23 ILE 59 10.188 0.178 -5.098 475 HD11 ILE 59 HD11 ILE 59 10.080 -2.373 -9.142 476 HD12 ILE 59 HD12 ILE 59 8.936 -1.048 -9.390 477 HD13 ILE 59 HD13 ILE 59 8.373 -2.587 -8.742 478 H VAL 60 H VAL 60 10.228 3.040 -6.197 479 HA VAL 60 HA VAL 60 12.654 4.360 -7.083 480 HB VAL 60 HB VAL 60 10.801 5.118 -4.780 481 HG11 VAL 60 HG11 VAL 60 12.974 6.275 -4.651 482 HG12 VAL 60 HG12 VAL 60 11.697 7.415 -5.075 483 HG13 VAL 60 HG13 VAL 60 12.801 6.827 -6.321 484 HG21 VAL 60 HG21 VAL 60 9.502 4.953 -6.864 485 HG22 VAL 60 HG22 VAL 60 10.654 6.007 -7.690 486 HG23 VAL 60 HG23 VAL 60 9.664 6.644 -6.375 487 H ALA 61 H ALA 61 11.508 2.824 -4.081 488 HA ALA 61 HA ALA 61 14.166 1.953 -3.345 489 HB1 ALA 61 HB1 ALA 61 12.722 3.902 -1.501 490 HB2 ALA 61 HB2 ALA 61 14.184 4.250 -2.426 491 HB3 ALA 61 HB3 ALA 61 14.225 3.046 -1.137 492 H ILE 62 H ILE 62 14.142 0.325 -1.738 493 HA ILE 62 HA ILE 62 11.739 -0.532 -0.402 494 HB ILE 62 HB ILE 62 11.150 -1.442 -2.593 495 HG12 ILE 62 HG12 ILE 62 12.096 -3.661 -0.708 496 HG13 ILE 62 HG13 ILE 62 10.542 -2.839 -0.652 497 HG21 ILE 62 HG21 ILE 62 13.376 -1.511 -3.630 498 HG22 ILE 62 HG22 ILE 62 12.552 -3.057 -3.823 499 HG23 ILE 62 HG23 ILE 62 13.831 -2.886 -2.619 500 HD11 ILE 62 HD11 ILE 62 10.325 -5.036 -1.594 501 HD12 ILE 62 HD12 ILE 62 11.518 -4.669 -2.836 502 HD13 ILE 62 HD13 ILE 62 9.969 -3.823 -2.821 503 H ARG 63 H ARG 63 12.132 -2.026 1.227 504 HA ARG 63 HA ARG 63 14.445 -3.684 1.322 505 HB2 ARG 63 HB2 ARG 63 15.500 -1.563 2.126 506 HB3 ARG 63 HB3 ARG 63 14.378 -1.531 3.485 507 HG2 ARG 63 HG2 ARG 63 15.305 -3.637 4.342 508 HG3 ARG 63 HG3 ARG 63 16.357 -3.776 2.934 509 HD2 ARG 63 HD2 ARG 63 17.566 -1.738 3.633 510 HD3 ARG 63 HD3 ARG 63 16.512 -1.599 5.046 511 HE ARG 63 HE ARG 63 17.431 -3.700 5.861 512 HH11 ARG 63 HH11 ARG 63 19.281 -2.145 3.376 513 HH12 ARG 63 HH12 ARG 63 20.704 -3.055 3.730 514 HH21 ARG 63 HH21 ARG 63 19.258 -4.845 6.279 515 HH22 ARG 63 HH22 ARG 63 20.692 -4.561 5.357 516 H ALA 64 H ALA 64 13.289 -5.441 1.729 517 HA ALA 64 HA ALA 64 12.057 -7.038 2.692 518 HB1 ALA 64 HB1 ALA 64 13.726 -6.766 4.484 519 HB2 ALA 64 HB2 ALA 64 12.160 -7.281 5.121 520 HB3 ALA 64 HB3 ALA 64 12.671 -5.599 5.287 521 H TYR 65 H TYR 65 10.930 -4.717 5.140 522 HA TYR 65 HA TYR 65 8.259 -4.519 3.945 523 HB2 TYR 65 HB2 TYR 65 7.080 -5.526 5.765 524 HB3 TYR 65 HB3 TYR 65 8.349 -6.660 5.348 525 HD1 TYR 65 HD2 TYR 65 10.716 -5.661 6.855 526 HD2 TYR 65 HD1 TYR 65 6.616 -5.796 8.029 527 HE1 TYR 65 HE2 TYR 65 11.385 -5.702 9.226 528 HE2 TYR 65 HE1 TYR 65 7.274 -5.832 10.371 529 HH TYR 65 HH TYR 65 10.432 -5.151 11.437 530 H SER 66 H SER 66 10.765 -2.990 5.313 531 HA SER 66 HA SER 66 9.460 -1.241 7.237 532 HB2 SER 66 HB2 SER 66 12.264 -1.071 6.049 533 HB3 SER 66 HB3 SER 66 11.678 -0.193 7.465 534 HG SER 66 HG SER 66 11.508 -2.132 8.572 535 H PHE 67 H PHE 67 9.777 -1.284 3.844 536 HA PHE 67 HA PHE 67 8.304 0.940 3.274 537 HB2 PHE 67 HB2 PHE 67 9.858 2.647 2.407 538 HB3 PHE 67 HB3 PHE 67 10.097 2.389 4.123 539 HD1 PHE 67 HD2 PHE 67 12.184 1.305 4.954 540 HD2 PHE 67 HD1 PHE 67 11.638 2.174 0.802 541 HE1 PHE 67 HE2 PHE 67 14.597 1.053 4.578 542 HE2 PHE 67 HE1 PHE 67 14.048 1.925 0.441 543 HZ PHE 67 HZ PHE 67 15.530 1.366 2.321 544 H ILE 68 H ILE 68 7.667 0.928 1.170 545 HA ILE 68 HA ILE 68 9.487 0.165 -0.974 546 HB ILE 68 HB ILE 68 8.353 -1.980 -0.404 547 HG12 ILE 68 HG12 ILE 68 7.535 -0.823 -3.114 548 HG13 ILE 68 HG13 ILE 68 9.064 -1.614 -2.736 549 HG21 ILE 68 HG21 ILE 68 6.251 -1.123 0.499 550 HG22 ILE 68 HG22 ILE 68 5.926 -2.287 -0.786 551 HG23 ILE 68 HG23 ILE 68 5.765 -0.556 -1.100 552 HD11 ILE 68 HD11 ILE 68 6.358 -2.928 -2.751 553 HD12 ILE 68 HD12 ILE 68 7.893 -3.718 -2.377 554 HD13 ILE 68 HD13 ILE 68 7.604 -3.065 -3.988 555 H ARG 69 H ARG 69 9.141 1.409 -2.823 556 HA ARG 69 HA ARG 69 6.771 3.207 -2.863 557 HB2 ARG 69 HB2 ARG 69 9.630 4.042 -3.507 558 HB3 ARG 69 HB3 ARG 69 8.206 5.062 -3.643 559 HG2 ARG 69 HG2 ARG 69 9.071 5.785 -1.625 560 HG3 ARG 69 HG3 ARG 69 7.921 4.564 -1.081 561 HD2 ARG 69 HD2 ARG 69 9.882 2.928 -1.028 562 HD3 ARG 69 HD3 ARG 69 10.939 4.319 -1.282 563 HE ARG 69 HE ARG 69 9.334 3.710 1.100 564 HH11 ARG 69 HH11 ARG 69 11.655 5.816 -0.386 565 HH12 ARG 69 HH12 ARG 69 12.051 6.582 1.108 566 HH21 ARG 69 HH21 ARG 69 9.875 4.724 2.976 567 HH22 ARG 69 HH22 ARG 69 11.056 5.984 2.965 568 H PHE 70 H PHE 70 5.875 3.686 -4.831 569 HA PHE 70 HA PHE 70 7.115 2.555 -7.296 570 HB2 PHE 70 HB2 PHE 70 4.164 2.526 -6.499 571 HB3 PHE 70 HB3 PHE 70 4.742 2.137 -8.115 572 HD1 PHE 70 HD2 PHE 70 4.764 1.015 -4.568 573 HD2 PHE 70 HD1 PHE 70 5.644 -0.039 -8.624 574 HE1 PHE 70 HE2 PHE 70 5.076 -1.326 -3.901 575 HE2 PHE 70 HE1 PHE 70 5.937 -2.385 -7.941 576 HZ PHE 70 HZ PHE 70 5.647 -3.027 -5.582 577 H HIS 71 H HIS 71 7.199 3.873 -9.045 578 HA HIS 71 HA HIS 71 5.234 6.070 -9.354 579 HB2 HIS 71 HB2 HIS 71 8.224 6.225 -9.888 580 HB3 HIS 71 HB3 HIS 71 7.099 7.278 -10.732 581 HD1 HIS 71 HD1 HIS 71 9.379 7.928 -8.451 582 HD2 HIS 71 HD2 HIS 71 5.244 8.141 -8.124 583 HE1 HIS 71 HE1 HIS 71 8.938 9.580 -6.625 584 HE2 HIS 71 HE2 HIS 71 6.455 9.903 -6.672 585 H TRP 72 H TRP 72 4.135 5.928 -11.207 586 HA TRP 72 HA TRP 72 4.523 3.626 -12.913 587 HB2 TRP 72 HB2 TRP 72 2.399 5.816 -12.884 588 HB3 TRP 72 HB3 TRP 72 2.370 4.446 -13.991 589 HD1 TRP 72 HD1 TRP 72 1.393 2.173 -13.070 590 HE1 TRP 72 HE1 TRP 72 0.374 1.438 -10.831 591 HE3 TRP 72 HE3 TRP 72 2.638 6.249 -10.200 592 HZ2 TRP 72 HZ2 TRP 72 0.133 2.419 -8.201 593 HZ3 TRP 72 HZ3 TRP 72 1.973 6.262 -7.825 594 HH2 TRP 72 HH2 TRP 72 0.746 4.384 -6.847 595 H LEU 73 H LEU 73 5.578 3.584 -14.789 596 HA LEU 73 HA LEU 73 6.937 5.863 -15.868 597 HB2 LEU 73 HB2 LEU 73 6.672 3.048 -16.988 598 HB3 LEU 73 HB3 LEU 73 7.815 4.262 -17.551 599 HG LEU 73 HG LEU 73 7.814 2.887 -14.825 600 HD11 LEU 73 HD11 LEU 73 8.685 1.481 -16.631 601 HD12 LEU 73 HD12 LEU 73 9.970 1.958 -15.526 602 HD13 LEU 73 HD13 LEU 73 9.823 2.750 -17.097 603 HD21 LEU 73 HD21 LEU 73 9.878 4.155 -14.325 604 HD22 LEU 73 HD22 LEU 73 8.489 5.221 -14.514 605 HD23 LEU 73 HD23 LEU 73 9.674 5.083 -15.815 606 H ASP 74 H ASP 74 3.759 4.946 -16.266 607 HA ASP 74 HA ASP 74 3.271 5.957 -18.929 608 HB2 ASP 74 HB2 ASP 74 1.812 4.289 -17.715 609 HB3 ASP 74 HB3 ASP 74 1.363 5.555 -16.577 610 H ASP 75 H ASP 75 4.566 7.542 -16.464 611 HA ASP 75 HA ASP 75 5.003 9.677 -15.970 612 HB2 ASP 75 HB2 ASP 75 4.559 10.178 -18.419 613 HB3 ASP 75 HB3 ASP 75 2.900 10.550 -17.985 614 H GLU 76 H GLU 76 3.917 8.692 -14.007 615 HA GLU 76 HA GLU 76 1.922 10.662 -13.077 616 HB2 GLU 76 HB2 GLU 76 0.769 8.467 -13.414 617 HB3 GLU 76 HB3 GLU 76 1.891 7.715 -12.284 618 HG2 GLU 76 HG2 GLU 76 1.023 8.994 -10.439 619 HG3 GLU 76 HG3 GLU 76 0.093 10.032 -11.515 620 H ASN 77 H ASN 77 3.772 11.807 -12.452 621 HA ASN 77 HA ASN 77 4.321 11.422 -9.635 622 HB2 ASN 77 HB2 ASN 77 6.221 10.152 -10.659 623 HB3 ASN 77 HB3 ASN 77 6.690 11.592 -11.563 624 HD21 ASN 77 HD21 ASN 77 8.732 11.640 -10.570 625 HD22 ASN 77 HD22 ASN 77 8.947 12.110 -8.922 626 H GLU 78 H GLU 78 3.169 13.340 -9.350 627 HA GLU 78 HA GLU 78 3.794 15.816 -10.674 628 HB2 GLU 78 HB2 GLU 78 2.183 15.267 -8.143 629 HB3 GLU 78 HB3 GLU 78 2.269 16.826 -8.966 630 HG2 GLU 78 HG2 GLU 78 1.276 15.770 -10.996 631 HG3 GLU 78 HG3 GLU 78 1.114 14.260 -10.098 632 H ARG 79 H ARG 79 4.685 14.322 -7.627 633 HA ARG 79 HA ARG 79 7.044 15.772 -7.112 634 HB2 ARG 79 HB2 ARG 79 5.465 17.667 -6.653 635 HB3 ARG 79 HB3 ARG 79 4.622 16.677 -5.464 636 HG2 ARG 79 HG2 ARG 79 6.877 16.562 -4.207 637 HG3 ARG 79 HG3 ARG 79 7.419 17.851 -5.287 638 HD2 ARG 79 HD2 ARG 79 6.628 18.801 -3.188 639 HD3 ARG 79 HD3 ARG 79 5.526 19.267 -4.490 640 HE ARG 79 HE ARG 79 4.524 16.924 -3.340 641 HH11 ARG 79 HH11 ARG 79 5.000 20.204 -2.343 642 HH12 ARG 79 HH12 ARG 79 3.730 20.133 -1.180 643 HH21 ARG 79 HH21 ARG 79 2.911 16.867 -1.883 644 HH22 ARG 79 HH22 ARG 79 2.545 18.268 -0.939 645 H ASP 80 H ASP 80 4.205 14.310 -5.610 646 HA ASP 80 HA ASP 80 5.649 13.157 -3.386 647 HB2 ASP 80 HB2 ASP 80 2.720 12.948 -4.162 648 HB3 ASP 80 HB3 ASP 80 3.418 12.486 -2.612 649 H TYR 81 H TYR 81 4.611 10.840 -2.803 650 HA TYR 81 HA TYR 81 5.240 8.924 -4.949 651 HB2 TYR 81 HB2 TYR 81 6.959 7.838 -3.398 652 HB3 TYR 81 HB3 TYR 81 7.437 9.409 -4.025 653 HD1 TYR 81 HD2 TYR 81 7.418 11.433 -2.512 654 HD2 TYR 81 HD1 TYR 81 6.617 7.524 -0.974 655 HE1 TYR 81 HE2 TYR 81 7.741 12.266 -0.224 656 HE2 TYR 81 HE1 TYR 81 6.935 8.365 1.314 657 HH TYR 81 HH TYR 81 8.150 10.258 2.435 658 H PHE 82 H PHE 82 4.190 6.911 -4.648 659 HA PHE 82 HA PHE 82 2.432 6.631 -2.320 660 HB2 PHE 82 HB2 PHE 82 1.594 6.073 -4.627 661 HB3 PHE 82 HB3 PHE 82 2.745 4.741 -4.697 662 HD1 PHE 82 HD1 PHE 82 0.536 5.855 -1.856 663 HD2 PHE 82 HD2 PHE 82 1.380 2.781 -4.719 664 HE1 PHE 82 HE1 PHE 82 -1.136 4.406 -0.797 665 HE2 PHE 82 HE2 PHE 82 -0.294 1.336 -3.640 666 HZ PHE 82 HZ PHE 82 -1.553 2.143 -1.681 667 H GLU 83 H GLU 83 3.288 5.863 -0.539 668 HA GLU 83 HA GLU 83 5.587 3.984 -0.554 669 HB2 GLU 83 HB2 GLU 83 5.571 6.545 0.371 670 HB3 GLU 83 HB3 GLU 83 4.915 5.779 1.798 671 HG2 GLU 83 HG2 GLU 83 7.582 5.157 0.534 672 HG3 GLU 83 HG3 GLU 83 7.334 6.207 1.918 673 H ILE 84 H ILE 84 5.290 2.036 0.543 674 HA ILE 84 HA ILE 84 3.070 1.820 2.508 675 HB ILE 84 HB ILE 84 3.806 -0.482 0.632 676 HG12 ILE 84 HG12 ILE 84 1.327 -0.016 -0.248 677 HG13 ILE 84 HG13 ILE 84 1.631 1.621 0.308 678 HG21 ILE 84 HG21 ILE 84 2.937 -1.174 2.807 679 HG22 ILE 84 HG22 ILE 84 1.752 -1.515 1.550 680 HG23 ILE 84 HG23 ILE 84 1.526 -0.127 2.613 681 HD11 ILE 84 HD11 ILE 84 3.267 0.121 -1.735 682 HD12 ILE 84 HD12 ILE 84 3.502 1.800 -1.236 683 HD13 ILE 84 HD13 ILE 84 2.025 1.325 -2.076 684 H LYS 85 H LYS 85 3.786 1.147 4.447 685 HA LYS 85 HA LYS 85 6.072 -0.705 4.668 686 HB2 LYS 85 HB2 LYS 85 7.015 0.716 6.495 687 HB3 LYS 85 HB3 LYS 85 7.014 1.537 4.935 688 HG2 LYS 85 HG2 LYS 85 4.900 2.718 5.629 689 HG3 LYS 85 HG3 LYS 85 5.079 1.998 7.232 690 HD2 LYS 85 HD2 LYS 85 7.048 3.887 5.887 691 HD3 LYS 85 HD3 LYS 85 5.908 4.325 7.160 692 HE2 LYS 85 HE2 LYS 85 7.081 2.802 8.724 693 HE3 LYS 85 HE3 LYS 85 8.215 2.360 7.441 694 HZ1 LYS 85 HZ1 LYS 85 9.144 4.034 8.880 695 HZ2 LYS 85 HZ2 LYS 85 7.846 5.075 8.581 696 HZ3 LYS 85 HZ3 LYS 85 8.912 4.674 7.332 697 H MET 86 H MET 86 6.213 -1.652 6.912 698 HA MET 86 HA MET 86 3.964 -1.295 8.699 699 HB2 MET 86 HB2 MET 86 3.339 -3.697 8.815 700 HB3 MET 86 HB3 MET 86 3.015 -3.009 7.232 701 HG2 MET 86 HG2 MET 86 5.567 -4.513 7.719 702 HG3 MET 86 HG3 MET 86 4.073 -5.381 7.395 703 HE1 MET 86 HE1 MET 86 3.001 -5.636 5.090 704 HE2 MET 86 HE2 MET 86 3.222 -4.475 3.778 705 HE3 MET 86 HE3 MET 86 2.508 -3.958 5.304 706 H SER 87 H SER 87 4.202 -2.618 10.695 707 HA SER 87 HA SER 87 6.894 -3.467 11.477 708 HB2 SER 87 HB2 SER 87 7.094 -1.030 11.774 709 HB3 SER 87 HB3 SER 87 5.599 -0.984 12.706 710 HG SER 87 HG SER 87 8.145 -1.678 13.488 711 H TYR 88 H TYR 88 6.904 -4.513 13.604 712 HA TYR 88 HA TYR 88 4.283 -5.705 14.243 713 HB2 TYR 88 HB2 TYR 88 6.290 -7.171 13.809 714 HB3 TYR 88 HB3 TYR 88 7.053 -6.505 15.249 715 HD1 TYR 88 HD1 TYR 88 3.426 -7.424 14.977 716 HD2 TYR 88 HD2 TYR 88 7.250 -8.584 16.502 717 HE1 TYR 88 HE1 TYR 88 2.368 -9.208 16.273 718 HE2 TYR 88 HE2 TYR 88 6.180 -10.375 17.800 719 HH TYR 88 HH TYR 88 3.047 -11.426 17.229 720 H ASN 89 H ASN 89 3.109 -4.890 15.884 721 HA ASN 89 HA ASN 89 3.893 -2.977 17.805 722 HB2 ASN 89 HB2 ASN 89 1.533 -4.893 17.658 723 HB3 ASN 89 HB3 ASN 89 1.736 -3.823 19.046 724 HD21 ASN 89 HD21 ASN 89 1.223 -3.906 15.577 725 HD22 ASN 89 HD22 ASN 89 0.559 -2.325 15.457 726 H GLU 90 H GLU 90 3.837 -6.498 17.945 727 HA GLU 90 HA GLU 90 5.073 -7.992 19.042 728 HB2 GLU 90 HB2 GLU 90 6.893 -6.248 19.001 729 HB3 GLU 90 HB3 GLU 90 6.373 -5.739 20.604 730 HG2 GLU 90 HG2 GLU 90 6.920 -8.004 21.483 731 HG3 GLU 90 HG3 GLU 90 7.453 -8.477 19.870 732 H LEU 91 H LEU 91 3.679 -5.548 21.242 733 HA LEU 91 HA LEU 91 3.546 -7.329 23.510 734 HB2 LEU 91 HB2 LEU 91 2.234 -4.607 23.103 735 HB3 LEU 91 HB3 LEU 91 2.385 -5.462 24.633 736 HG LEU 91 HG LEU 91 4.650 -4.245 22.998 737 HD11 LEU 91 HD11 LEU 91 3.581 -3.509 25.748 738 HD12 LEU 91 HD12 LEU 91 3.346 -2.594 24.255 739 HD13 LEU 91 HD13 LEU 91 4.962 -2.763 24.934 740 HD21 LEU 91 HD21 LEU 91 5.451 -6.330 23.979 741 HD22 LEU 91 HD22 LEU 91 4.849 -5.853 25.568 742 HD23 LEU 91 HD23 LEU 91 6.171 -4.954 24.816 743 H THR 92 H THR 92 1.158 -5.897 21.256 744 HA THR 92 HA THR 92 -1.029 -7.451 22.437 745 HB THR 92 HB THR 92 -1.525 -5.116 22.020 746 HG1 THR 92 HG1 THR 92 -3.096 -6.055 19.982 747 HG21 THR 92 HG21 THR 92 -1.631 -4.153 19.742 748 HG22 THR 92 HG22 THR 92 -0.958 -5.645 19.079 749 HG23 THR 92 HG23 THR 92 0.017 -4.642 20.158 750 H GLY 93 H GLY 93 0.946 -7.486 19.554 751 HA2 GLY 93 HA2 GLY 93 1.217 -9.523 18.292 752 HA3 GLY 93 HA3 GLY 93 -0.465 -9.916 18.580 753 H ASP 94 H ASP 94 -0.825 -6.825 17.850 754 HA ASP 94 HA ASP 94 -1.560 -7.168 15.113 755 HB2 ASP 94 HB2 ASP 94 -1.364 -4.686 16.870 756 HB3 ASP 94 HB3 ASP 94 -1.953 -4.642 15.206 757 H TYR 95 H TYR 95 -0.901 -5.635 13.402 758 HA TYR 95 HA TYR 95 1.962 -4.872 13.408 759 HB2 TYR 95 HB2 TYR 95 0.344 -6.348 11.415 760 HB3 TYR 95 HB3 TYR 95 1.087 -4.930 10.679 761 HD1 TYR 95 HD1 TYR 95 2.096 -7.755 12.998 762 HD2 TYR 95 HD2 TYR 95 3.175 -5.274 9.694 763 HE1 TYR 95 HE1 TYR 95 4.217 -8.973 12.765 764 HE2 TYR 95 HE2 TYR 95 5.293 -6.493 9.463 765 HH TYR 95 HH TYR 95 6.802 -7.865 10.909 766 H VAL 96 H VAL 96 2.335 -2.704 13.336 767 HA VAL 96 HA VAL 96 0.337 -0.723 12.742 768 HB VAL 96 HB VAL 96 3.387 -0.515 13.037 769 HG11 VAL 96 HG11 VAL 96 3.081 1.950 13.197 770 HG12 VAL 96 HG12 VAL 96 1.372 1.762 12.803 771 HG13 VAL 96 HG13 VAL 96 2.599 1.341 11.610 772 HG21 VAL 96 HG21 VAL 96 2.874 0.492 15.243 773 HG22 VAL 96 HG22 VAL 96 2.217 -1.141 15.118 774 HG23 VAL 96 HG23 VAL 96 1.147 0.254 14.956 775 H LEU 97 H LEU 97 -0.461 -0.998 10.691 776 HA LEU 97 HA LEU 97 1.367 -1.297 8.387 777 HB2 LEU 97 HB2 LEU 97 -0.543 -2.878 8.651 778 HB3 LEU 97 HB3 LEU 97 -1.668 -1.531 8.587 779 HG LEU 97 HG LEU 97 -0.937 -1.055 6.253 780 HD11 LEU 97 HD11 LEU 97 1.332 -1.938 6.347 781 HD12 LEU 97 HD12 LEU 97 0.429 -2.679 5.024 782 HD13 LEU 97 HD13 LEU 97 0.709 -3.583 6.516 783 HD21 LEU 97 HD21 LEU 97 -2.930 -2.430 6.624 784 HD22 LEU 97 HD22 LEU 97 -1.938 -3.891 6.676 785 HD23 LEU 97 HD23 LEU 97 -2.063 -2.959 5.182 786 H GLU 98 H GLU 98 2.029 0.568 7.530 787 HA GLU 98 HA GLU 98 0.361 3.017 7.746 788 HB2 GLU 98 HB2 GLU 98 3.365 2.585 7.678 789 HB3 GLU 98 HB3 GLU 98 2.666 4.169 7.371 790 HG2 GLU 98 HG2 GLU 98 1.848 2.775 9.900 791 HG3 GLU 98 HG3 GLU 98 3.508 3.363 9.803 792 H ILE 99 H ILE 99 -0.755 3.081 5.846 793 HA ILE 99 HA ILE 99 0.704 2.870 3.284 794 HB ILE 99 HB ILE 99 -2.249 2.945 3.996 795 HG12 ILE 99 HG12 ILE 99 -2.353 0.977 2.458 796 HG13 ILE 99 HG13 ILE 99 -0.644 1.166 2.100 797 HG21 ILE 99 HG21 ILE 99 -2.880 3.223 1.597 798 HG22 ILE 99 HG22 ILE 99 -1.196 3.585 1.209 799 HG23 ILE 99 HG23 ILE 99 -2.113 4.670 2.256 800 HD11 ILE 99 HD11 ILE 99 -1.091 -0.660 3.633 801 HD12 ILE 99 HD12 ILE 99 -1.802 0.467 4.791 802 HD13 ILE 99 HD13 ILE 99 -0.086 0.581 4.379 803 H THR 100 H THR 100 1.746 4.607 2.743 804 HA THR 100 HA THR 100 0.862 7.298 3.495 805 HB THR 100 HB THR 100 3.494 6.250 2.404 806 HG1 THR 100 HG1 THR 100 3.644 5.822 4.480 807 HG21 THR 100 HG21 THR 100 4.418 8.505 2.837 808 HG22 THR 100 HG22 THR 100 2.791 9.095 3.190 809 HG23 THR 100 HG23 THR 100 3.194 8.527 1.566 810 H ASP 101 H ASP 101 -0.674 7.883 2.069 811 HA ASP 101 HA ASP 101 -0.182 7.667 -0.846 812 HB2 ASP 101 HB2 ASP 101 -2.190 6.438 -0.005 813 HB3 ASP 101 HB3 ASP 101 -2.819 7.939 0.668 814 H PHE 102 H PHE 102 -0.736 9.521 -2.139 815 HA PHE 102 HA PHE 102 -0.795 12.101 -0.683 816 HB2 PHE 102 HB2 PHE 102 0.142 13.101 -2.796 817 HB3 PHE 102 HB3 PHE 102 1.219 11.986 -1.975 818 HD1 PHE 102 HD1 PHE 102 1.697 9.732 -2.980 819 HD2 PHE 102 HD2 PHE 102 -0.622 12.648 -5.078 820 HE1 PHE 102 HE1 PHE 102 2.028 8.491 -5.081 821 HE2 PHE 102 HE2 PHE 102 -0.283 11.405 -7.169 822 HZ PHE 102 HZ PHE 102 1.039 9.326 -7.178 823 H SER 103 H SER 103 -2.687 13.054 -0.672 824 HA SER 103 HA SER 103 -4.399 13.139 -3.072 825 HB2 SER 103 HB2 SER 103 -5.280 12.221 -0.300 826 HB3 SER 103 HB3 SER 103 -6.426 12.850 -1.483 827 HG SER 103 HG SER 103 -4.873 10.496 -1.592 828 H GLU 104 H GLU 104 -5.022 15.207 -3.483 829 HA GLU 104 HA GLU 104 -4.194 17.348 -1.805 830 HB2 GLU 104 HB2 GLU 104 -5.378 18.828 -3.452 831 HB3 GLU 104 HB3 GLU 104 -4.182 17.740 -4.140 832 HG2 GLU 104 HG2 GLU 104 -5.988 16.250 -4.918 833 HG3 GLU 104 HG3 GLU 104 -7.189 17.374 -4.264 834 H ALA 105 H ALA 105 -5.846 19.215 -1.277 835 HA ALA 105 HA ALA 105 -7.354 18.530 0.906 836 HB1 ALA 105 HB1 ALA 105 -7.841 20.948 -0.852 837 HB2 ALA 105 HB2 ALA 105 -6.597 20.818 0.394 838 HB3 ALA 105 HB3 ALA 105 -8.305 20.784 0.844 839 H ASP 106 H ASP 106 -8.598 18.759 -2.416 840 HA ASP 106 HA ASP 106 -11.373 18.440 -1.866 841 HB2 ASP 106 HB2 ASP 106 -10.438 19.298 -4.025 842 HB3 ASP 106 HB3 ASP 106 -9.841 17.685 -4.394 843 H GLU 107 H GLU 107 -8.767 16.121 -2.305 844 HA GLU 107 HA GLU 107 -10.533 13.776 -2.523 845 HB2 GLU 107 HB2 GLU 107 -7.496 14.051 -2.661 846 HB3 GLU 107 HB3 GLU 107 -8.392 12.564 -2.968 847 HG2 GLU 107 HG2 GLU 107 -8.621 15.105 -4.619 848 HG3 GLU 107 HG3 GLU 107 -7.604 13.723 -5.027 849 H ALA 108 H ALA 108 -8.702 15.476 -0.137 850 HA ALA 108 HA ALA 108 -7.604 13.400 1.416 851 HB1 ALA 108 HB1 ALA 108 -7.230 15.111 3.134 852 HB2 ALA 108 HB2 ALA 108 -8.343 16.206 2.308 853 HB3 ALA 108 HB3 ALA 108 -6.828 15.737 1.532 854 H ASP 109 H ASP 109 -10.619 15.275 1.990 855 HA ASP 109 HA ASP 109 -11.340 14.074 4.446 856 HB2 ASP 109 HB2 ASP 109 -13.118 15.410 2.367 857 HB3 ASP 109 HB3 ASP 109 -13.591 15.062 4.035 858 H ASP 110 H ASP 110 -12.123 13.160 1.125 859 HA ASP 110 HA ASP 110 -13.993 11.073 1.785 860 HB2 ASP 110 HB2 ASP 110 -12.464 11.585 -0.805 861 HB3 ASP 110 HB3 ASP 110 -13.838 10.488 -0.625 862 H LEU 111 H LEU 111 -10.522 11.228 1.326 863 HA LEU 111 HA LEU 111 -9.982 8.412 1.436 864 HB2 LEU 111 HB2 LEU 111 -8.462 10.514 0.719 865 HB3 LEU 111 HB3 LEU 111 -7.986 10.485 2.400 866 HG LEU 111 HG LEU 111 -6.341 9.343 0.958 867 HD11 LEU 111 HD11 LEU 111 -6.082 7.224 2.155 868 HD12 LEU 111 HD12 LEU 111 -7.728 7.362 2.781 869 HD13 LEU 111 HD13 LEU 111 -6.502 8.539 3.252 870 HD21 LEU 111 HD21 LEU 111 -8.554 7.392 0.258 871 HD22 LEU 111 HD22 LEU 111 -6.860 7.270 -0.233 872 HD23 LEU 111 HD23 LEU 111 -7.851 8.602 -0.821 873 H LYS 112 H LYS 112 -10.464 10.972 3.866 874 HA LYS 112 HA LYS 112 -9.646 9.486 6.180 875 HB2 LYS 112 HB2 LYS 112 -11.554 11.865 6.046 876 HB3 LYS 112 HB3 LYS 112 -10.765 11.258 7.501 877 HG2 LYS 112 HG2 LYS 112 -9.394 12.540 5.117 878 HG3 LYS 112 HG3 LYS 112 -9.687 13.299 6.680 879 HD2 LYS 112 HD2 LYS 112 -8.185 11.625 7.751 880 HD3 LYS 112 HD3 LYS 112 -7.886 10.890 6.172 881 HE2 LYS 112 HE2 LYS 112 -6.038 12.386 6.833 882 HE3 LYS 112 HE3 LYS 112 -6.846 12.989 5.385 883 HZ1 LYS 112 HZ1 LYS 112 -6.337 14.717 7.055 884 HZ2 LYS 112 HZ2 LYS 112 -7.407 13.970 8.133 885 HZ3 LYS 112 HZ3 LYS 112 -7.982 14.620 6.682 886 H GLU 113 H GLU 113 -12.770 9.941 4.537 887 HA GLU 113 HA GLU 113 -14.343 8.432 6.413 888 HB2 GLU 113 HB2 GLU 113 -15.449 10.055 4.978 889 HB3 GLU 113 HB3 GLU 113 -14.902 9.227 3.529 890 HG2 GLU 113 HG2 GLU 113 -17.291 8.825 3.962 891 HG3 GLU 113 HG3 GLU 113 -16.365 7.329 4.000 892 H LEU 114 H LEU 114 -12.778 7.606 3.297 893 HA LEU 114 HA LEU 114 -13.449 4.880 3.119 894 HB2 LEU 114 HB2 LEU 114 -12.321 6.091 1.306 895 HB3 LEU 114 HB3 LEU 114 -10.897 6.323 2.304 896 HG LEU 114 HG LEU 114 -10.449 3.872 2.244 897 HD11 LEU 114 HD11 LEU 114 -12.823 3.693 0.362 898 HD12 LEU 114 HD12 LEU 114 -12.724 3.016 1.990 899 HD13 LEU 114 HD13 LEU 114 -11.680 2.392 0.716 900 HD21 LEU 114 HD21 LEU 114 -9.370 5.321 0.581 901 HD22 LEU 114 HD22 LEU 114 -10.737 5.110 -0.516 902 HD23 LEU 114 HD23 LEU 114 -9.716 3.731 -0.100 903 H TRP 115 H TRP 115 -10.788 6.471 4.817 904 HA TRP 115 HA TRP 115 -9.551 4.267 6.048 905 HB2 TRP 115 HB2 TRP 115 -8.265 6.230 6.112 906 HB3 TRP 115 HB3 TRP 115 -9.630 7.242 6.548 907 HD1 TRP 115 HD1 TRP 115 -9.298 8.246 8.880 908 HE1 TRP 115 HE1 TRP 115 -8.284 7.480 11.109 909 HE3 TRP 115 HE3 TRP 115 -7.705 3.571 7.508 910 HZ2 TRP 115 HZ2 TRP 115 -7.008 5.211 12.160 911 HZ3 TRP 115 HZ3 TRP 115 -6.609 2.162 9.203 912 HH2 TRP 115 HH2 TRP 115 -6.276 2.977 11.477 913 H ASP 116 H ASP 116 -12.200 6.381 7.230 914 HA ASP 116 HA ASP 116 -12.548 5.232 9.780 915 HB2 ASP 116 HB2 ASP 116 -13.540 7.434 8.982 916 HB3 ASP 116 HB3 ASP 116 -14.738 6.516 8.075 917 H SER 117 H SER 117 -13.941 4.417 6.641 918 HA SER 117 HA SER 117 -15.802 2.441 7.405 919 HB2 SER 117 HB2 SER 117 -14.256 2.740 4.791 920 HB3 SER 117 HB3 SER 117 -15.674 1.703 5.016 921 HG SER 117 HG SER 117 -15.711 4.492 5.545 922 H GLN 118 H GLN 118 -12.325 2.235 6.699 923 HA GLN 118 HA GLN 118 -12.198 -0.649 6.790 924 HB2 GLN 118 HB2 GLN 118 -9.952 1.411 6.903 925 HB3 GLN 118 HB3 GLN 118 -9.723 -0.326 6.712 926 HG2 GLN 118 HG2 GLN 118 -11.050 1.566 4.748 927 HG3 GLN 118 HG3 GLN 118 -9.498 0.757 4.557 928 HE21 GLN 118 HE21 GLN 118 -12.963 0.382 4.439 929 HE22 GLN 118 HE22 GLN 118 -12.987 -1.175 3.696 930 H VAL 119 H VAL 119 -11.219 1.947 9.088 931 HA VAL 119 HA VAL 119 -10.079 0.132 10.981 932 HB VAL 119 HB VAL 119 -9.325 2.481 10.785 933 HG11 VAL 119 HG11 VAL 119 -11.948 3.265 12.091 934 HG12 VAL 119 HG12 VAL 119 -11.468 3.617 10.430 935 HG13 VAL 119 HG13 VAL 119 -10.586 4.348 11.774 936 HG21 VAL 119 HG21 VAL 119 -10.309 1.814 13.586 937 HG22 VAL 119 HG22 VAL 119 -9.010 2.941 13.184 938 HG23 VAL 119 HG23 VAL 119 -8.816 1.219 12.850 939 H SER 120 H SER 120 -13.316 1.585 10.688 940 HA SER 120 HA SER 120 -14.417 0.769 13.168 941 HB2 SER 120 HB2 SER 120 -15.788 1.127 10.469 942 HB3 SER 120 HB3 SER 120 -16.649 0.914 11.997 943 HG SER 120 HG SER 120 -15.729 3.161 10.947 944 H LYS 121 H LYS 121 -14.128 -0.927 10.061 945 HA LYS 121 HA LYS 121 -15.490 -3.323 10.879 946 HB2 LYS 121 HB2 LYS 121 -13.702 -2.721 8.489 947 HB3 LYS 121 HB3 LYS 121 -14.525 -4.268 8.721 948 HG2 LYS 121 HG2 LYS 121 -16.704 -3.162 8.637 949 HG3 LYS 121 HG3 LYS 121 -15.925 -1.580 8.525 950 HD2 LYS 121 HD2 LYS 121 -14.938 -2.258 6.332 951 HD3 LYS 121 HD3 LYS 121 -15.799 -3.801 6.438 952 HE2 LYS 121 HE2 LYS 121 -17.955 -2.619 6.401 953 HE3 LYS 121 HE3 LYS 121 -17.127 -1.059 6.394 954 HZ1 LYS 121 HZ1 LYS 121 -16.158 -1.660 4.261 955 HZ2 LYS 121 HZ2 LYS 121 -17.845 -1.650 4.203 956 HZ3 LYS 121 HZ3 LYS 121 -17.006 -3.119 4.268 957 H LEU 122 H LEU 122 -12.082 -2.375 10.661 958 HA LEU 122 HA LEU 122 -10.873 -4.833 11.351 959 HB2 LEU 122 HB2 LEU 122 -10.004 -1.963 11.292 960 HB3 LEU 122 HB3 LEU 122 -9.022 -3.040 12.262 961 HG LEU 122 HG LEU 122 -8.393 -4.370 10.358 962 HD11 LEU 122 HD11 LEU 122 -9.212 -4.001 8.075 963 HD12 LEU 122 HD12 LEU 122 -10.361 -2.801 8.669 964 HD13 LEU 122 HD13 LEU 122 -10.514 -4.488 9.158 965 HD21 LEU 122 HD21 LEU 122 -8.261 -1.436 9.576 966 HD22 LEU 122 HD22 LEU 122 -7.237 -2.729 8.945 967 HD23 LEU 122 HD23 LEU 122 -7.135 -2.281 10.646 968 H ARG 123 H ARG 123 -12.179 -2.231 13.355 969 HA ARG 123 HA ARG 123 -11.250 -3.148 15.866 970 HB2 ARG 123 HB2 ARG 123 -12.075 -0.834 15.357 971 HB3 ARG 123 HB3 ARG 123 -13.715 -1.460 15.293 972 HG2 ARG 123 HG2 ARG 123 -13.320 -0.362 17.428 973 HG3 ARG 123 HG3 ARG 123 -13.566 -2.088 17.688 974 HD2 ARG 123 HD2 ARG 123 -10.776 -0.902 17.491 975 HD3 ARG 123 HD3 ARG 123 -11.663 -0.906 19.011 976 HE ARG 123 HE ARG 123 -11.748 -3.390 18.781 977 HH11 ARG 123 HH11 ARG 123 -9.216 -1.728 17.095 978 HH12 ARG 123 HH12 ARG 123 -8.134 -3.070 17.209 979 HH21 ARG 123 HH21 ARG 123 -10.346 -5.079 18.874 980 HH22 ARG 123 HH22 ARG 123 -8.764 -4.930 18.197 981 H ARG 124 H ARG 124 -14.419 -3.661 14.221 982 HA ARG 124 HA ARG 124 -15.527 -5.228 16.361 983 HB2 ARG 124 HB2 ARG 124 -17.376 -5.743 14.776 984 HB3 ARG 124 HB3 ARG 124 -17.036 -4.026 14.914 985 HG2 ARG 124 HG2 ARG 124 -15.800 -4.109 12.763 986 HG3 ARG 124 HG3 ARG 124 -16.193 -5.822 12.614 987 HD2 ARG 124 HD2 ARG 124 -18.261 -3.598 12.779 988 HD3 ARG 124 HD3 ARG 124 -17.669 -4.292 11.266 989 HE ARG 124 HE ARG 124 -18.514 -6.485 12.545 990 HH11 ARG 124 HH11 ARG 124 -20.152 -3.455 12.219 991 HH12 ARG 124 HH12 ARG 124 -21.703 -4.203 12.114 992 HH21 ARG 124 HH21 ARG 124 -20.491 -7.394 12.409 993 HH22 ARG 124 HH22 ARG 124 -21.898 -6.404 12.226 994 H THR 125 H THR 125 -13.728 -6.083 13.426 995 HA THR 125 HA THR 125 -14.300 -8.937 13.686 996 HB THR 125 HB THR 125 -14.068 -7.853 11.412 997 HG1 THR 125 HG1 THR 125 -13.839 -9.991 11.263 998 HG21 THR 125 HG21 THR 125 -11.833 -7.465 10.476 999 HG22 THR 125 HG22 THR 125 -11.084 -7.858 12.023 1000 HG23 THR 125 HG23 THR 125 -12.080 -6.412 11.870 1001 H CYS 126 H CYS 126 -11.780 -6.727 14.640 1002 HA CYS 126 HA CYS 126 -9.829 -6.883 15.769 1003 HB2 CYS 126 HB2 CYS 126 -10.951 -9.553 16.695 1004 HB3 CYS 126 HB3 CYS 126 -9.631 -8.678 17.471 1005 HG CYS 126 HG CYS 126 -11.182 -7.494 19.115 1006 H GLY 127 H GLY 127 -9.765 -7.794 13.025 1007 HA2 GLY 127 HA2 GLY 127 -7.796 -8.320 11.800 1008 HA3 GLY 127 HA3 GLY 127 -7.251 -9.353 13.110 1009 H PHE 128 H PHE 128 -10.436 -10.202 12.650 1010 HA PHE 128 HA PHE 128 -9.712 -12.639 11.181 1011 HB2 PHE 128 HB2 PHE 128 -11.037 -12.669 13.335 1012 HB3 PHE 128 HB3 PHE 128 -12.359 -11.875 12.489 1013 HD1 PHE 128 HD1 PHE 128 -10.232 -14.975 12.339 1014 HD2 PHE 128 HD2 PHE 128 -14.052 -13.232 11.513 1015 HE1 PHE 128 HE1 PHE 128 -11.111 -17.180 11.712 1016 HE2 PHE 128 HE2 PHE 128 -14.921 -15.448 10.883 1017 HZ PHE 128 HZ PHE 128 -13.451 -17.423 10.986 1018 H LEU 129 H LEU 129 -9.463 -10.890 9.227 1019 HA LEU 129 HA LEU 129 -11.938 -10.226 7.881 1020 HB2 LEU 129 HB2 LEU 129 -9.029 -9.947 7.033 1021 HB3 LEU 129 HB3 LEU 129 -10.350 -9.573 5.946 1022 HG LEU 129 HG LEU 129 -9.537 -7.506 6.872 1023 HD11 LEU 129 HD11 LEU 129 -11.955 -7.623 6.543 1024 HD12 LEU 129 HD12 LEU 129 -11.538 -6.551 7.876 1025 HD13 LEU 129 HD13 LEU 129 -12.175 -8.164 8.212 1026 HD21 LEU 129 HD21 LEU 129 -9.988 -8.635 9.653 1027 HD22 LEU 129 HD22 LEU 129 -9.475 -6.990 9.263 1028 HD23 LEU 129 HD23 LEU 129 -8.424 -8.351 8.880 1029 H GLU 130 H GLU 130 -12.945 -12.248 7.665 1030 HA GLU 130 HA GLU 130 -11.770 -14.386 6.071 1031 HB2 GLU 130 HB2 GLU 130 -13.259 -14.769 8.099 1032 HB3 GLU 130 HB3 GLU 130 -14.607 -14.138 7.171 1033 HG2 GLU 130 HG2 GLU 130 -13.042 -16.551 6.225 1034 HG3 GLU 130 HG3 GLU 130 -14.331 -16.707 7.412 1035 H HIS 131 H HIS 131 -11.417 -12.819 4.334 1036 HA HIS 131 HA HIS 131 -11.877 -11.833 2.292 1037 HB2 HIS 131 HB2 HIS 131 -12.489 -14.785 2.015 1038 HB3 HIS 131 HB3 HIS 131 -12.149 -13.725 0.646 1039 HD1 HIS 131 HD1 HIS 131 -10.486 -15.529 3.455 1040 HD2 HIS 131 HD2 HIS 131 -9.459 -12.799 0.494 1041 HE1 HIS 131 HE1 HIS 131 -7.974 -15.445 3.463 1042 HE2 HIS 131 HE2 HIS 131 -7.380 -13.771 1.683 1043 H HIS 132 H HIS 132 -13.453 -10.349 2.155 1044 HA HIS 132 HA HIS 132 -16.202 -10.744 2.575 1045 HB2 HIS 132 HB2 HIS 132 -14.906 -8.578 2.830 1046 HB3 HIS 132 HB3 HIS 132 -14.924 -8.421 1.077 1047 HD1 HIS 132 HD1 HIS 132 -17.286 -8.485 4.037 1048 HD2 HIS 132 HD2 HIS 132 -17.240 -7.247 0.073 1049 HE1 HIS 132 HE1 HIS 132 -19.412 -7.198 3.716 1050 HE2 HIS 132 HE2 HIS 132 -19.444 -6.614 1.273 1051 H HIS 133 H HIS 133 -14.385 -10.586 -0.492 1052 HA HIS 133 HA HIS 133 -16.669 -11.868 -1.870 1053 HB2 HIS 133 HB2 HIS 133 -15.136 -9.465 -2.946 1054 HB3 HIS 133 HB3 HIS 133 -16.166 -10.478 -3.944 1055 HD1 HIS 133 HD1 HIS 133 -18.591 -10.736 -2.020 1056 HD2 HIS 133 HD2 HIS 133 -16.658 -7.157 -2.874 1057 HE1 HIS 133 HE1 HIS 133 -20.273 -8.944 -1.552 1058 HE2 HIS 133 HE2 HIS 133 -19.154 -6.818 -2.263 1059 H HIS 134 H HIS 134 -13.233 -10.908 -2.391 1060 HA HIS 134 HA HIS 134 -12.774 -13.113 -4.243 1061 HB2 HIS 134 HB2 HIS 134 -10.874 -10.998 -3.125 1062 HB3 HIS 134 HB3 HIS 134 -10.420 -12.197 -4.332 1063 HD1 HIS 134 HD1 HIS 134 -10.214 -11.027 -6.484 1064 HD2 HIS 134 HD2 HIS 134 -13.478 -9.625 -4.337 1065 HE1 HIS 134 HE1 HIS 134 -11.280 -9.296 -7.950 1066 HE2 HIS 134 HE2 HIS 134 -13.362 -8.618 -6.717 1067 H HIS 135 H HIS 135 -12.046 -15.098 -3.687 1068 HA HIS 135 HA HIS 135 -10.689 -15.560 -1.075 1069 HB2 HIS 135 HB2 HIS 135 -12.561 -17.420 -2.616 1070 HB3 HIS 135 HB3 HIS 135 -11.611 -17.923 -1.223 1071 HD1 HIS 135 HD1 HIS 135 -12.664 -17.617 1.008 1072 HD2 HIS 135 HD2 HIS 135 -14.571 -15.382 -1.933 1073 HE1 HIS 135 HE1 HIS 135 -14.728 -16.704 2.086 1074 HE2 HIS 135 HE2 HIS 135 -15.735 -15.180 0.368 1075 H HIS 136 H HIS 136 -8.840 -16.766 -1.047 1076 HA HIS 136 HA HIS 136 -7.918 -18.265 -3.429 1077 HB2 HIS 136 HB2 HIS 136 -6.323 -16.168 -1.897 1078 HB3 HIS 136 HB3 HIS 136 -5.517 -17.452 -2.792 1079 HD1 HIS 136 HD1 HIS 136 -7.983 -14.635 -3.453 1080 HD2 HIS 136 HD2 HIS 136 -5.067 -16.840 -5.403 1081 HE1 HIS 136 HE1 HIS 136 -7.746 -13.572 -5.706 1082 HE2 HIS 136 HE2 HIS 136 -5.819 -14.776 -6.759 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -1.172 25.298 -1.134 2 H2 MET 1 H2 MET 1 -2.357 24.128 -0.863 3 H3 MET 1 H3 MET 1 -2.793 25.637 -1.482 4 HA MET 1 HA MET 1 -2.819 23.999 -3.225 5 HB2 MET 1 HB2 MET 1 -0.492 25.961 -3.443 6 HB3 MET 1 HB3 MET 1 -1.223 25.134 -4.814 7 HG2 MET 1 HG2 MET 1 -3.357 26.271 -4.365 8 HG3 MET 1 HG3 MET 1 -2.624 27.101 -2.989 9 HE1 MET 1 HE1 MET 1 -3.080 29.917 -5.744 10 HE2 MET 1 HE2 MET 1 -3.485 29.438 -4.096 11 HE3 MET 1 HE3 MET 1 -4.146 28.540 -5.466 12 H LYS 2 H LYS 2 -1.007 23.096 -4.916 13 HA LYS 2 HA LYS 2 0.279 21.330 -5.438 14 HB2 LYS 2 HB2 LYS 2 1.928 22.291 -3.071 15 HB3 LYS 2 HB3 LYS 2 2.468 21.068 -4.223 16 HG2 LYS 2 HG2 LYS 2 2.185 22.815 -6.047 17 HG3 LYS 2 HG3 LYS 2 1.907 24.002 -4.768 18 HD2 LYS 2 HD2 LYS 2 4.247 24.056 -5.515 19 HD3 LYS 2 HD3 LYS 2 4.145 23.528 -3.833 20 HE2 LYS 2 HE2 LYS 2 4.395 21.163 -4.586 21 HE3 LYS 2 HE3 LYS 2 4.530 21.720 -6.257 22 HZ1 LYS 2 HZ1 LYS 2 6.394 22.316 -4.033 23 HZ2 LYS 2 HZ2 LYS 2 6.510 22.963 -5.590 24 HZ3 LYS 2 HZ3 LYS 2 6.679 21.302 -5.356 25 H LYS 3 H LYS 3 -1.865 20.380 -4.402 26 HA LYS 3 HA LYS 3 -2.969 18.678 -3.385 27 HB2 LYS 3 HB2 LYS 3 -0.356 17.153 -3.041 28 HB3 LYS 3 HB3 LYS 3 -1.962 16.518 -3.385 29 HG2 LYS 3 HG2 LYS 3 -0.117 17.973 -5.300 30 HG3 LYS 3 HG3 LYS 3 -0.523 16.256 -5.314 31 HD2 LYS 3 HD2 LYS 3 -2.814 16.758 -5.961 32 HD3 LYS 3 HD3 LYS 3 -2.535 18.491 -5.782 33 HE2 LYS 3 HE2 LYS 3 -0.851 18.358 -7.649 34 HE3 LYS 3 HE3 LYS 3 -1.270 16.657 -7.851 35 HZ1 LYS 3 HZ1 LYS 3 -3.516 17.292 -8.399 36 HZ2 LYS 3 HZ2 LYS 3 -2.425 18.088 -9.417 37 HZ3 LYS 3 HZ3 LYS 3 -3.157 18.925 -8.149 38 H GLU 4 H GLU 4 -2.319 16.889 -1.278 39 HA GLU 4 HA GLU 4 -0.651 18.260 0.679 40 HB2 GLU 4 HB2 GLU 4 -3.003 18.971 1.245 41 HB3 GLU 4 HB3 GLU 4 -3.440 17.277 1.459 42 HG2 GLU 4 HG2 GLU 4 -1.758 17.081 3.268 43 HG3 GLU 4 HG3 GLU 4 -1.351 18.782 3.064 44 H LYS 5 H LYS 5 0.724 16.806 1.552 45 HA LYS 5 HA LYS 5 0.591 14.012 1.073 46 HB2 LYS 5 HB2 LYS 5 2.665 15.463 1.590 47 HB3 LYS 5 HB3 LYS 5 2.213 15.356 3.281 48 HG2 LYS 5 HG2 LYS 5 2.813 12.945 1.528 49 HG3 LYS 5 HG3 LYS 5 4.024 13.763 2.503 50 HD2 LYS 5 HD2 LYS 5 1.550 12.350 3.570 51 HD3 LYS 5 HD3 LYS 5 3.188 11.706 3.586 52 HE2 LYS 5 HE2 LYS 5 2.352 14.241 5.037 53 HE3 LYS 5 HE3 LYS 5 2.418 12.644 5.784 54 HZ1 LYS 5 HZ1 LYS 5 4.737 13.991 4.518 55 HZ2 LYS 5 HZ2 LYS 5 4.753 12.532 5.375 56 HZ3 LYS 5 HZ3 LYS 5 4.415 13.979 6.178 57 H ILE 6 H ILE 6 -0.411 12.433 2.189 58 HA ILE 6 HA ILE 6 -1.631 12.980 4.834 59 HB ILE 6 HB ILE 6 -3.622 11.688 4.232 60 HG12 ILE 6 HG12 ILE 6 -2.287 11.325 1.513 61 HG13 ILE 6 HG13 ILE 6 -2.761 10.067 2.659 62 HG21 ILE 6 HG21 ILE 6 -3.119 13.878 2.182 63 HG22 ILE 6 HG22 ILE 6 -3.697 14.114 3.832 64 HG23 ILE 6 HG23 ILE 6 -4.703 13.258 2.662 65 HD11 ILE 6 HD11 ILE 6 -4.627 11.813 1.054 66 HD12 ILE 6 HD12 ILE 6 -5.117 10.577 2.218 67 HD13 ILE 6 HD13 ILE 6 -4.238 10.118 0.758 68 H HIS 7 H HIS 7 -2.243 10.895 5.945 69 HA HIS 7 HA HIS 7 -0.447 8.654 5.437 70 HB2 HIS 7 HB2 HIS 7 0.442 8.658 7.770 71 HB3 HIS 7 HB3 HIS 7 0.938 10.084 6.871 72 HD1 HIS 7 HD1 HIS 7 -1.175 9.003 9.764 73 HD2 HIS 7 HD2 HIS 7 -0.026 12.533 7.898 74 HE1 HIS 7 HE1 HIS 7 -1.899 10.840 11.308 75 HE2 HIS 7 HE2 HIS 7 -1.118 12.959 10.204 76 H LEU 8 H LEU 8 -1.913 7.054 5.291 77 HA LEU 8 HA LEU 8 -4.266 7.015 7.062 78 HB2 LEU 8 HB2 LEU 8 -3.636 5.737 4.390 79 HB3 LEU 8 HB3 LEU 8 -4.865 5.017 5.413 80 HG LEU 8 HG LEU 8 -6.209 7.073 5.338 81 HD11 LEU 8 HD11 LEU 8 -5.651 8.959 3.878 82 HD12 LEU 8 HD12 LEU 8 -4.074 8.239 3.538 83 HD13 LEU 8 HD13 LEU 8 -4.472 8.763 5.177 84 HD21 LEU 8 HD21 LEU 8 -5.406 6.146 2.565 85 HD22 LEU 8 HD22 LEU 8 -6.891 7.007 2.981 86 HD23 LEU 8 HD23 LEU 8 -6.608 5.387 3.614 87 H GLU 9 H GLU 9 -4.067 5.821 8.860 88 HA GLU 9 HA GLU 9 -2.142 3.553 8.954 89 HB2 GLU 9 HB2 GLU 9 -1.266 5.607 10.093 90 HB3 GLU 9 HB3 GLU 9 -2.651 5.574 11.182 91 HG2 GLU 9 HG2 GLU 9 -1.906 3.312 11.972 92 HG3 GLU 9 HG3 GLU 9 -0.479 3.465 10.950 93 H TYR 10 H TYR 10 -2.838 1.715 9.868 94 HA TYR 10 HA TYR 10 -5.585 1.566 10.956 95 HB2 TYR 10 HB2 TYR 10 -4.380 -0.467 9.032 96 HB3 TYR 10 HB3 TYR 10 -6.057 -0.330 9.545 97 HD1 TYR 10 HD1 TYR 10 -7.156 2.099 8.926 98 HD2 TYR 10 HD2 TYR 10 -3.899 0.255 6.849 99 HE1 TYR 10 HE1 TYR 10 -7.676 3.411 6.922 100 HE2 TYR 10 HE2 TYR 10 -4.432 1.572 4.842 101 HH TYR 10 HH TYR 10 -6.383 2.731 3.866 102 H LEU 11 H LEU 11 -5.908 -0.003 12.540 103 HA LEU 11 HA LEU 11 -3.583 -1.396 13.623 104 HB2 LEU 11 HB2 LEU 11 -5.420 -2.215 15.349 105 HB3 LEU 11 HB3 LEU 11 -4.731 -0.609 15.440 106 HG LEU 11 HG LEU 11 -6.836 0.194 14.154 107 HD11 LEU 11 HD11 LEU 11 -8.878 -1.131 14.405 108 HD12 LEU 11 HD12 LEU 11 -7.937 -2.483 15.041 109 HD13 LEU 11 HD13 LEU 11 -7.699 -1.946 13.375 110 HD21 LEU 11 HD21 LEU 11 -8.151 0.401 16.219 111 HD22 LEU 11 HD22 LEU 11 -6.440 0.713 16.506 112 HD23 LEU 11 HD23 LEU 11 -7.145 -0.831 16.990 113 H LEU 12 H LEU 12 -2.991 -3.114 12.458 114 HA LEU 12 HA LEU 12 -4.854 -4.792 11.025 115 HB2 LEU 12 HB2 LEU 12 -2.282 -4.161 10.535 116 HB3 LEU 12 HB3 LEU 12 -1.976 -5.607 11.466 117 HG LEU 12 HG LEU 12 -1.884 -6.129 9.106 118 HD11 LEU 12 HD11 LEU 12 -3.469 -7.948 8.887 119 HD12 LEU 12 HD12 LEU 12 -4.447 -7.299 10.208 120 HD13 LEU 12 HD13 LEU 12 -2.812 -7.887 10.522 121 HD21 LEU 12 HD21 LEU 12 -4.709 -5.065 8.825 122 HD22 LEU 12 HD22 LEU 12 -3.746 -5.834 7.559 123 HD23 LEU 12 HD23 LEU 12 -3.237 -4.289 8.233 124 H ASN 13 H ASN 13 -5.822 -6.599 11.767 125 HA ASN 13 HA ASN 13 -5.803 -7.513 14.410 126 HB2 ASN 13 HB2 ASN 13 -7.627 -7.943 12.730 127 HB3 ASN 13 HB3 ASN 13 -6.587 -9.108 11.924 128 HD21 ASN 13 HD21 ASN 13 -8.622 -8.518 14.662 129 HD22 ASN 13 HD22 ASN 13 -8.615 -10.131 15.280 130 H ALA 14 H ALA 14 -5.043 -9.575 15.308 131 HA ALA 14 HA ALA 14 -2.271 -9.992 14.905 132 HB1 ALA 14 HB1 ALA 14 -4.231 -11.636 16.540 133 HB2 ALA 14 HB2 ALA 14 -3.350 -10.211 17.099 134 HB3 ALA 14 HB3 ALA 14 -2.469 -11.680 16.677 135 H THR 15 H THR 15 -2.139 -10.591 12.668 136 HA THR 15 HA THR 15 -2.501 -13.496 12.146 137 HB THR 15 HB THR 15 -3.636 -12.130 10.451 138 HG1 THR 15 HG1 THR 15 -2.597 -14.031 9.719 139 HG21 THR 15 HG21 THR 15 -2.401 -10.609 8.944 140 HG22 THR 15 HG22 THR 15 -0.937 -10.839 9.904 141 HG23 THR 15 HG23 THR 15 -2.344 -10.043 10.616 142 H SER 16 H SER 16 -0.231 -10.898 12.539 143 HA SER 16 HA SER 16 1.983 -10.802 12.945 144 HB2 SER 16 HB2 SER 16 1.893 -13.848 13.066 145 HB3 SER 16 HB3 SER 16 3.164 -12.819 13.732 146 HG SER 16 HG SER 16 0.455 -13.012 14.562 147 H LYS 17 H LYS 17 0.972 -11.213 10.088 148 HA LYS 17 HA LYS 17 3.512 -12.094 8.821 149 HB2 LYS 17 HB2 LYS 17 0.698 -12.020 7.652 150 HB3 LYS 17 HB3 LYS 17 2.155 -12.398 6.728 151 HG2 LYS 17 HG2 LYS 17 2.555 -14.317 8.348 152 HG3 LYS 17 HG3 LYS 17 0.943 -13.997 9.002 153 HD2 LYS 17 HD2 LYS 17 -0.073 -14.477 6.829 154 HD3 LYS 17 HD3 LYS 17 1.520 -14.656 6.085 155 HE2 LYS 17 HE2 LYS 17 1.955 -16.635 7.526 156 HE3 LYS 17 HE3 LYS 17 0.352 -16.458 8.245 157 HZ1 LYS 17 HZ1 LYS 17 0.928 -17.018 5.389 158 HZ2 LYS 17 HZ2 LYS 17 -0.610 -16.826 6.054 159 HZ3 LYS 17 HZ3 LYS 17 0.351 -18.125 6.526 160 H ASN 18 H ASN 18 4.764 -10.542 7.977 161 HA ASN 18 HA ASN 18 3.897 -7.935 7.157 162 HB2 ASN 18 HB2 ASN 18 6.157 -7.665 6.238 163 HB3 ASN 18 HB3 ASN 18 6.244 -8.401 7.833 164 HD21 ASN 18 HD21 ASN 18 6.855 -10.626 7.984 165 HD22 ASN 18 HD22 ASN 18 7.637 -11.431 6.674 166 H ILE 19 H ILE 19 3.879 -11.026 5.661 167 HA ILE 19 HA ILE 19 4.351 -10.631 2.964 168 HB ILE 19 HB ILE 19 2.537 -12.691 4.301 169 HG12 ILE 19 HG12 ILE 19 4.555 -14.254 3.680 170 HG13 ILE 19 HG13 ILE 19 5.470 -12.770 3.463 171 HG21 ILE 19 HG21 ILE 19 3.527 -12.730 1.427 172 HG22 ILE 19 HG22 ILE 19 1.856 -12.533 1.958 173 HG23 ILE 19 HG23 ILE 19 2.693 -14.059 2.242 174 HD11 ILE 19 HD11 ILE 19 4.171 -13.723 6.008 175 HD12 ILE 19 HD12 ILE 19 5.064 -12.210 5.817 176 HD13 ILE 19 HD13 ILE 19 5.891 -13.753 5.613 177 H LEU 20 H LEU 20 1.474 -9.875 4.760 178 HA LEU 20 HA LEU 20 -0.658 -9.767 3.067 179 HB2 LEU 20 HB2 LEU 20 0.154 -7.561 4.998 180 HB3 LEU 20 HB3 LEU 20 -1.485 -7.877 4.431 181 HG LEU 20 HG LEU 20 0.150 -9.776 6.171 182 HD11 LEU 20 HD11 LEU 20 -0.370 -7.702 7.367 183 HD12 LEU 20 HD12 LEU 20 -1.260 -9.072 8.026 184 HD13 LEU 20 HD13 LEU 20 -2.087 -7.903 6.995 185 HD21 LEU 20 HD21 LEU 20 -1.962 -10.987 6.521 186 HD22 LEU 20 HD22 LEU 20 -1.522 -10.971 4.816 187 HD23 LEU 20 HD23 LEU 20 -2.794 -9.897 5.406 188 H TRP 21 H TRP 21 1.432 -6.892 3.581 189 HA TRP 21 HA TRP 21 0.800 -5.866 0.896 190 HB2 TRP 21 HB2 TRP 21 1.785 -4.568 3.436 191 HB3 TRP 21 HB3 TRP 21 1.998 -3.755 1.892 192 HD1 TRP 21 HD1 TRP 21 -0.727 -4.684 4.421 193 HE1 TRP 21 HE1 TRP 21 -2.879 -3.424 3.790 194 HE3 TRP 21 HE3 TRP 21 0.678 -2.878 -0.159 195 HZ2 TRP 21 HZ2 TRP 21 -3.868 -1.885 1.646 196 HZ3 TRP 21 HZ3 TRP 21 -0.936 -1.524 -1.443 197 HH2 TRP 21 HH2 TRP 21 -3.165 -1.040 -0.557 198 H SER 22 H SER 22 3.439 -7.350 2.611 199 HA SER 22 HA SER 22 5.615 -6.431 1.011 200 HB2 SER 22 HB2 SER 22 5.980 -7.644 3.126 201 HB3 SER 22 HB3 SER 22 5.294 -9.109 2.434 202 HG SER 22 HG SER 22 7.765 -8.562 2.456 203 H ALA 23 H ALA 23 3.008 -8.536 0.277 204 HA ALA 23 HA ALA 23 3.933 -10.201 -1.773 205 HB1 ALA 23 HB1 ALA 23 1.211 -8.894 -1.501 206 HB2 ALA 23 HB2 ALA 23 1.718 -10.383 -0.702 207 HB3 ALA 23 HB3 ALA 23 1.580 -10.333 -2.461 208 H ILE 24 H ILE 24 3.214 -6.746 -1.875 209 HA ILE 24 HA ILE 24 2.804 -6.530 -4.694 210 HB ILE 24 HB ILE 24 2.870 -4.101 -4.430 211 HG12 ILE 24 HG12 ILE 24 4.044 -4.680 -1.682 212 HG13 ILE 24 HG13 ILE 24 4.755 -3.725 -2.971 213 HG21 ILE 24 HG21 ILE 24 0.816 -5.284 -3.758 214 HG22 ILE 24 HG22 ILE 24 1.051 -3.829 -2.792 215 HG23 ILE 24 HG23 ILE 24 1.418 -5.412 -2.101 216 HD11 ILE 24 HD11 ILE 24 4.016 -2.277 -1.229 217 HD12 ILE 24 HD12 ILE 24 2.407 -2.992 -1.228 218 HD13 ILE 24 HD13 ILE 24 2.950 -2.035 -2.614 219 H SER 25 H SER 25 5.690 -6.693 -2.800 220 HA SER 25 HA SER 25 7.570 -5.490 -4.552 221 HB2 SER 25 HB2 SER 25 8.135 -6.061 -2.225 222 HB3 SER 25 HB3 SER 25 7.937 -7.778 -2.572 223 HG SER 25 HG SER 25 9.791 -6.178 -4.004 224 H THR 26 H THR 26 6.220 -8.774 -4.418 225 HA THR 26 HA THR 26 7.862 -9.658 -6.707 226 HB THR 26 HB THR 26 7.016 -11.951 -6.204 227 HG1 THR 26 HG1 THR 26 5.231 -10.619 -4.698 228 HG21 THR 26 HG21 THR 26 9.138 -11.238 -5.200 229 HG22 THR 26 HG22 THR 26 8.259 -12.300 -4.097 230 HG23 THR 26 HG23 THR 26 8.278 -10.557 -3.814 231 HA PRO 27 HA PRO 27 4.528 -9.507 -9.797 232 HB2 PRO 27 HB2 PRO 27 5.256 -11.967 -11.045 233 HB3 PRO 27 HB3 PRO 27 5.846 -10.359 -11.479 234 HG2 PRO 27 HG2 PRO 27 7.095 -12.422 -9.666 235 HG3 PRO 27 HG3 PRO 27 7.871 -11.373 -10.877 236 HD2 PRO 27 HD2 PRO 27 8.076 -10.779 -8.312 237 HD3 PRO 27 HD3 PRO 27 7.737 -9.474 -9.468 238 H THR 28 H THR 28 5.139 -12.903 -8.733 239 HA THR 28 HA THR 28 2.618 -13.966 -8.908 240 HB THR 28 HB THR 28 4.479 -15.425 -8.504 241 HG1 THR 28 HG1 THR 28 2.885 -16.568 -7.678 242 HG21 THR 28 HG21 THR 28 5.913 -13.992 -7.104 243 HG22 THR 28 HG22 THR 28 5.686 -15.568 -6.340 244 HG23 THR 28 HG23 THR 28 4.790 -14.167 -5.750 245 H GLY 29 H GLY 29 3.929 -12.298 -6.017 246 HA2 GLY 29 HA2 GLY 29 1.641 -12.743 -4.347 247 HA3 GLY 29 HA3 GLY 29 2.941 -11.595 -4.054 248 H LEU 30 H LEU 30 2.580 -10.160 -6.528 249 HA LEU 30 HA LEU 30 0.692 -8.196 -5.713 250 HB2 LEU 30 HB2 LEU 30 2.901 -8.295 -7.422 251 HB3 LEU 30 HB3 LEU 30 1.585 -8.037 -8.544 252 HG LEU 30 HG LEU 30 2.259 -6.256 -6.178 253 HD11 LEU 30 HD11 LEU 30 2.737 -5.791 -9.126 254 HD12 LEU 30 HD12 LEU 30 3.962 -6.107 -7.893 255 HD13 LEU 30 HD13 LEU 30 3.017 -4.623 -7.829 256 HD21 LEU 30 HD21 LEU 30 0.642 -4.660 -7.111 257 HD22 LEU 30 HD22 LEU 30 -0.125 -6.168 -6.619 258 HD23 LEU 30 HD23 LEU 30 0.171 -5.850 -8.332 259 H GLU 31 H GLU 31 0.685 -10.373 -8.576 260 HA GLU 31 HA GLU 31 -1.910 -9.606 -9.512 261 HB2 GLU 31 HB2 GLU 31 -1.672 -11.488 -11.104 262 HB3 GLU 31 HB3 GLU 31 -0.226 -10.487 -11.043 263 HG2 GLU 31 HG2 GLU 31 0.840 -12.188 -9.553 264 HG3 GLU 31 HG3 GLU 31 -0.586 -13.211 -9.748 265 H ASP 32 H ASP 32 -1.038 -11.617 -6.939 266 HA ASP 32 HA ASP 32 -3.096 -13.538 -6.897 267 HB2 ASP 32 HB2 ASP 32 -1.063 -13.670 -5.512 268 HB3 ASP 32 HB3 ASP 32 -1.547 -12.229 -4.623 269 H TRP 33 H TRP 33 -3.182 -10.092 -6.152 270 HA TRP 33 HA TRP 33 -6.021 -10.257 -5.396 271 HB2 TRP 33 HB2 TRP 33 -5.696 -8.870 -3.360 272 HB3 TRP 33 HB3 TRP 33 -4.897 -10.427 -3.249 273 HD1 TRP 33 HD1 TRP 33 -2.081 -10.028 -4.317 274 HE1 TRP 33 HE1 TRP 33 -0.417 -8.399 -3.249 275 HE3 TRP 33 HE3 TRP 33 -5.388 -6.938 -1.928 276 HZ2 TRP 33 HZ2 TRP 33 -0.476 -6.119 -1.591 277 HZ3 TRP 33 HZ3 TRP 33 -4.496 -5.055 -0.607 278 HH2 TRP 33 HH2 TRP 33 -2.086 -4.655 -0.443 279 H PHE 34 H PHE 34 -3.576 -8.536 -7.041 280 HA PHE 34 HA PHE 34 -5.194 -6.055 -7.149 281 HB2 PHE 34 HB2 PHE 34 -2.850 -5.739 -6.483 282 HB3 PHE 34 HB3 PHE 34 -2.296 -6.539 -7.948 283 HD1 PHE 34 HD2 PHE 34 -4.464 -3.622 -6.938 284 HD2 PHE 34 HD1 PHE 34 -1.587 -5.143 -9.714 285 HE1 PHE 34 HE2 PHE 34 -4.393 -1.444 -8.074 286 HE2 PHE 34 HE1 PHE 34 -1.516 -2.956 -10.833 287 HZ PHE 34 HZ PHE 34 -2.926 -1.106 -10.021 288 H ALA 35 H ALA 35 -3.030 -7.565 -9.598 289 HA ALA 35 HA ALA 35 -4.976 -6.850 -11.712 290 HB1 ALA 35 HB1 ALA 35 -2.671 -5.951 -11.906 291 HB2 ALA 35 HB2 ALA 35 -3.074 -7.008 -13.258 292 HB3 ALA 35 HB3 ALA 35 -2.033 -7.599 -11.958 293 H ASP 36 H ASP 36 -5.017 -8.363 -13.657 294 HA ASP 36 HA ASP 36 -5.706 -11.052 -13.034 295 HB2 ASP 36 HB2 ASP 36 -4.949 -9.824 -15.722 296 HB3 ASP 36 HB3 ASP 36 -5.733 -11.388 -15.507 297 H LYS 37 H LYS 37 -2.842 -9.662 -14.648 298 HA LYS 37 HA LYS 37 -1.144 -11.726 -13.453 299 HB2 LYS 37 HB2 LYS 37 -1.873 -12.270 -15.955 300 HB3 LYS 37 HB3 LYS 37 -0.705 -11.022 -16.383 301 HG2 LYS 37 HG2 LYS 37 1.020 -12.328 -15.071 302 HG3 LYS 37 HG3 LYS 37 -0.183 -13.606 -14.885 303 HD2 LYS 37 HD2 LYS 37 -0.308 -13.660 -17.453 304 HD3 LYS 37 HD3 LYS 37 1.124 -12.624 -17.451 305 HE2 LYS 37 HE2 LYS 37 0.900 -15.439 -16.323 306 HE3 LYS 37 HE3 LYS 37 1.813 -14.935 -17.745 307 HZ1 LYS 37 HZ1 LYS 37 3.251 -15.261 -15.840 308 HZ2 LYS 37 HZ2 LYS 37 2.384 -14.130 -14.936 309 HZ3 LYS 37 HZ3 LYS 37 3.261 -13.634 -16.295 310 H VAL 38 H VAL 38 0.933 -10.952 -13.000 311 HA VAL 38 HA VAL 38 1.607 -8.170 -13.803 312 HB VAL 38 HB VAL 38 2.014 -9.474 -11.064 313 HG11 VAL 38 HG11 VAL 38 3.170 -7.367 -10.390 314 HG12 VAL 38 HG12 VAL 38 3.145 -6.832 -12.072 315 HG13 VAL 38 HG13 VAL 38 4.071 -8.266 -11.615 316 HG21 VAL 38 HG21 VAL 38 0.701 -7.550 -10.210 317 HG22 VAL 38 HG22 VAL 38 -0.227 -8.478 -11.391 318 HG23 VAL 38 HG23 VAL 38 0.510 -6.942 -11.858 319 H VAL 39 H VAL 39 3.196 -8.399 -15.258 320 HA VAL 39 HA VAL 39 5.275 -10.474 -14.947 321 HB VAL 39 HB VAL 39 4.840 -8.552 -17.292 322 HG11 VAL 39 HG11 VAL 39 6.426 -11.155 -17.144 323 HG12 VAL 39 HG12 VAL 39 7.116 -9.531 -17.217 324 HG13 VAL 39 HG13 VAL 39 6.206 -10.164 -18.590 325 HG21 VAL 39 HG21 VAL 39 3.795 -11.401 -16.999 326 HG22 VAL 39 HG22 VAL 39 3.681 -10.410 -18.456 327 HG23 VAL 39 HG23 VAL 39 2.813 -9.932 -16.995 328 H SER 40 H SER 40 7.027 -9.853 -13.762 329 HA SER 40 HA SER 40 7.978 -7.052 -13.786 330 HB2 SER 40 HB2 SER 40 9.362 -7.638 -11.878 331 HB3 SER 40 HB3 SER 40 7.743 -8.268 -11.583 332 HG SER 40 HG SER 40 8.631 -10.314 -12.473 333 H ASP 41 H ASP 41 10.218 -6.571 -14.234 334 HA ASP 41 HA ASP 41 11.644 -8.480 -15.985 335 HB2 ASP 41 HB2 ASP 41 10.229 -6.787 -17.274 336 HB3 ASP 41 HB3 ASP 41 11.240 -5.514 -16.598 337 H ASP 42 H ASP 42 12.410 -8.371 -13.478 338 HA ASP 42 HA ASP 42 14.235 -8.284 -12.159 339 HB2 ASP 42 HB2 ASP 42 15.512 -8.602 -14.270 340 HB3 ASP 42 HB3 ASP 42 15.609 -6.859 -14.473 341 H LYS 43 H LYS 43 12.797 -5.387 -13.231 342 HA LYS 43 HA LYS 43 13.755 -3.738 -11.040 343 HB2 LYS 43 HB2 LYS 43 14.720 -1.989 -12.569 344 HB3 LYS 43 HB3 LYS 43 15.610 -3.509 -12.633 345 HG2 LYS 43 HG2 LYS 43 14.135 -4.042 -14.716 346 HG3 LYS 43 HG3 LYS 43 13.755 -2.320 -14.713 347 HD2 LYS 43 HD2 LYS 43 16.142 -1.781 -15.002 348 HD3 LYS 43 HD3 LYS 43 16.557 -3.500 -14.917 349 HE2 LYS 43 HE2 LYS 43 15.149 -3.887 -16.959 350 HE3 LYS 43 HE3 LYS 43 14.883 -2.143 -17.069 351 HZ1 LYS 43 HZ1 LYS 43 16.656 -2.910 -18.526 352 HZ2 LYS 43 HZ2 LYS 43 17.525 -3.493 -17.197 353 HZ3 LYS 43 HZ3 LYS 43 17.250 -1.833 -17.362 354 H THR 44 H THR 44 11.936 -3.969 -14.095 355 HA THR 44 HA THR 44 10.010 -1.896 -13.243 356 HB THR 44 HB THR 44 10.466 -3.113 -16.003 357 HG1 THR 44 HG1 THR 44 11.448 -1.165 -16.474 358 HG21 THR 44 HG21 THR 44 8.962 -1.324 -16.841 359 HG22 THR 44 HG22 THR 44 8.615 -0.845 -15.179 360 HG23 THR 44 HG23 THR 44 8.109 -2.434 -15.763 361 H VAL 45 H VAL 45 8.035 -2.496 -12.623 362 HA VAL 45 HA VAL 45 7.083 -5.271 -12.957 363 HB VAL 45 HB VAL 45 6.324 -3.097 -10.942 364 HG11 VAL 45 HG11 VAL 45 4.292 -4.364 -11.498 365 HG12 VAL 45 HG12 VAL 45 4.838 -4.755 -9.867 366 HG13 VAL 45 HG13 VAL 45 5.139 -5.884 -11.189 367 HG21 VAL 45 HG21 VAL 45 7.683 -5.791 -10.537 368 HG22 VAL 45 HG22 VAL 45 7.264 -4.644 -9.261 369 HG23 VAL 45 HG23 VAL 45 8.474 -4.212 -10.469 370 H THR 46 H THR 46 5.970 -5.341 -14.854 371 HA THR 46 HA THR 46 4.130 -3.186 -15.641 372 HB THR 46 HB THR 46 4.953 -5.669 -17.229 373 HG1 THR 46 HG1 THR 46 6.383 -4.269 -18.287 374 HG21 THR 46 HG21 THR 46 4.082 -4.432 -19.194 375 HG22 THR 46 HG22 THR 46 3.559 -3.113 -18.145 376 HG23 THR 46 HG23 THR 46 2.798 -4.703 -18.011 377 H PHE 47 H PHE 47 2.126 -3.347 -14.875 378 HA PHE 47 HA PHE 47 0.890 -5.815 -14.001 379 HB2 PHE 47 HB2 PHE 47 -0.461 -3.098 -14.301 380 HB3 PHE 47 HB3 PHE 47 -0.931 -4.424 -13.244 381 HD1 PHE 47 HD1 PHE 47 0.512 -4.959 -11.236 382 HD2 PHE 47 HD2 PHE 47 1.099 -1.437 -13.579 383 HE1 PHE 47 HE1 PHE 47 1.738 -3.909 -9.386 384 HE2 PHE 47 HE2 PHE 47 2.339 -0.407 -11.723 385 HZ PHE 47 HZ PHE 47 2.661 -1.644 -9.619 386 H CYS 48 H CYS 48 0.135 -7.158 -15.561 387 HA CYS 48 HA CYS 48 -0.913 -6.066 -18.110 388 HB2 CYS 48 HB2 CYS 48 0.094 -8.862 -17.451 389 HB3 CYS 48 HB3 CYS 48 -0.386 -8.289 -19.049 390 HG CYS 48 HG CYS 48 2.080 -6.650 -17.391 391 H TRP 49 H TRP 49 -3.061 -5.798 -17.974 392 HA TRP 49 HA TRP 49 -4.826 -7.924 -16.934 393 HB2 TRP 49 HB2 TRP 49 -5.419 -5.080 -17.872 394 HB3 TRP 49 HB3 TRP 49 -6.640 -6.217 -17.321 395 HD1 TRP 49 HD1 TRP 49 -6.642 -6.821 -14.659 396 HE1 TRP 49 HE1 TRP 49 -5.862 -5.446 -12.638 397 HE3 TRP 49 HE3 TRP 49 -3.648 -3.419 -17.060 398 HZ2 TRP 49 HZ2 TRP 49 -4.212 -3.239 -12.104 399 HZ3 TRP 49 HZ3 TRP 49 -2.503 -1.702 -15.711 400 HH2 TRP 49 HH2 TRP 49 -2.782 -1.615 -13.279 401 H GLY 50 H GLY 50 -4.407 -9.449 -18.596 402 HA2 GLY 50 HA2 GLY 50 -4.822 -10.566 -20.563 403 HA3 GLY 50 HA3 GLY 50 -6.047 -9.363 -20.927 404 H LYS 51 H LYS 51 -5.637 -7.941 -22.559 405 HA LYS 51 HA LYS 51 -2.878 -7.515 -23.569 406 HB2 LYS 51 HB2 LYS 51 -5.299 -8.000 -25.377 407 HB3 LYS 51 HB3 LYS 51 -3.637 -7.731 -25.901 408 HG2 LYS 51 HG2 LYS 51 -2.959 -9.878 -24.894 409 HG3 LYS 51 HG3 LYS 51 -4.607 -10.127 -24.306 410 HD2 LYS 51 HD2 LYS 51 -5.386 -10.118 -26.712 411 HD3 LYS 51 HD3 LYS 51 -3.690 -10.061 -27.211 412 HE2 LYS 51 HE2 LYS 51 -3.290 -12.218 -26.052 413 HE3 LYS 51 HE3 LYS 51 -4.986 -12.268 -25.560 414 HZ1 LYS 51 HZ1 LYS 51 -3.932 -12.362 -28.329 415 HZ2 LYS 51 HZ2 LYS 51 -5.570 -12.272 -27.937 416 HZ3 LYS 51 HZ3 LYS 51 -4.667 -13.626 -27.478 417 H THR 52 H THR 52 -2.542 -5.480 -24.571 418 HA THR 52 HA THR 52 -2.686 -3.282 -24.997 419 HB THR 52 HB THR 52 -5.707 -3.621 -24.788 420 HG1 THR 52 HG1 THR 52 -5.121 -3.029 -27.214 421 HG21 THR 52 HG21 THR 52 -5.900 -1.398 -25.909 422 HG22 THR 52 HG22 THR 52 -4.159 -1.168 -25.730 423 HG23 THR 52 HG23 THR 52 -5.189 -1.253 -24.300 424 H GLU 53 H GLU 53 -4.957 -4.035 -22.330 425 HA GLU 53 HA GLU 53 -4.367 -1.639 -20.868 426 HB2 GLU 53 HB2 GLU 53 -6.592 -2.678 -20.731 427 HB3 GLU 53 HB3 GLU 53 -5.898 -4.143 -20.056 428 HG2 GLU 53 HG2 GLU 53 -6.970 -2.828 -18.314 429 HG3 GLU 53 HG3 GLU 53 -5.239 -2.924 -18.032 430 H GLN 54 H GLN 54 -2.278 -1.525 -20.353 431 HA GLN 54 HA GLN 54 -1.132 -3.284 -18.338 432 HB2 GLN 54 HB2 GLN 54 0.929 -3.726 -19.688 433 HB3 GLN 54 HB3 GLN 54 -0.514 -4.464 -20.381 434 HG2 GLN 54 HG2 GLN 54 -0.650 -2.584 -22.013 435 HG3 GLN 54 HG3 GLN 54 0.847 -1.928 -21.357 436 HE21 GLN 54 HE21 GLN 54 0.239 -2.827 -24.067 437 HE22 GLN 54 HE22 GLN 54 1.410 -4.038 -24.442 438 H ARG 55 H ARG 55 0.218 -2.164 -16.962 439 HA ARG 55 HA ARG 55 1.258 0.499 -17.786 440 HB2 ARG 55 HB2 ARG 55 -0.099 -0.142 -15.143 441 HB3 ARG 55 HB3 ARG 55 0.835 1.324 -15.456 442 HG2 ARG 55 HG2 ARG 55 -0.835 1.577 -17.508 443 HG3 ARG 55 HG3 ARG 55 -1.863 0.516 -16.533 444 HD2 ARG 55 HD2 ARG 55 -1.654 2.135 -14.645 445 HD3 ARG 55 HD3 ARG 55 -0.686 3.184 -15.693 446 HE ARG 55 HE ARG 55 -3.519 2.478 -16.227 447 HH11 ARG 55 HH11 ARG 55 -0.970 4.842 -16.350 448 HH12 ARG 55 HH12 ARG 55 -2.050 6.106 -16.823 449 HH21 ARG 55 HH21 ARG 55 -4.836 4.121 -16.848 450 HH22 ARG 55 HH22 ARG 55 -4.188 5.704 -17.112 451 H GLN 56 H GLN 56 3.367 0.764 -17.447 452 HA GLN 56 HA GLN 56 4.948 -1.193 -15.947 453 HB2 GLN 56 HB2 GLN 56 5.835 1.250 -17.551 454 HB3 GLN 56 HB3 GLN 56 6.908 0.021 -16.879 455 HG2 GLN 56 HG2 GLN 56 5.959 -1.668 -18.358 456 HG3 GLN 56 HG3 GLN 56 4.792 -0.507 -18.993 457 HE21 GLN 56 HE21 GLN 56 6.843 -2.032 -20.428 458 HE22 GLN 56 HE22 GLN 56 7.839 -0.870 -21.219 459 H ALA 57 H ALA 57 5.819 -0.854 -13.939 460 HA ALA 57 HA ALA 57 6.274 1.864 -12.912 461 HB1 ALA 57 HB1 ALA 57 5.149 1.402 -10.770 462 HB2 ALA 57 HB2 ALA 57 4.633 -0.182 -11.361 463 HB3 ALA 57 HB3 ALA 57 4.004 1.289 -12.109 464 H GLY 58 H GLY 58 8.350 1.890 -12.258 465 HA2 GLY 58 HA2 GLY 58 9.762 -0.586 -11.563 466 HA3 GLY 58 HA3 GLY 58 10.481 0.989 -11.844 467 H ILE 59 H ILE 59 10.899 -0.938 -9.610 468 HA ILE 59 HA ILE 59 9.757 0.270 -7.236 469 HB ILE 59 HB ILE 59 12.192 -1.594 -7.314 470 HG12 ILE 59 HG12 ILE 59 10.475 -3.370 -6.483 471 HG13 ILE 59 HG13 ILE 59 9.229 -2.282 -7.076 472 HG21 ILE 59 HG21 ILE 59 11.672 -1.992 -4.912 473 HG22 ILE 59 HG22 ILE 59 10.362 -0.812 -5.004 474 HG23 ILE 59 HG23 ILE 59 12.035 -0.295 -5.237 475 HD11 ILE 59 HD11 ILE 59 11.396 -3.552 -8.740 476 HD12 ILE 59 HD12 ILE 59 10.100 -2.508 -9.336 477 HD13 ILE 59 HD13 ILE 59 9.716 -4.078 -8.631 478 H VAL 60 H VAL 60 10.508 2.101 -6.234 479 HA VAL 60 HA VAL 60 13.078 3.243 -7.155 480 HB VAL 60 HB VAL 60 12.204 5.437 -6.333 481 HG11 VAL 60 HG11 VAL 60 10.604 5.776 -8.196 482 HG12 VAL 60 HG12 VAL 60 10.442 4.027 -8.381 483 HG13 VAL 60 HG13 VAL 60 11.991 4.811 -8.707 484 HG21 VAL 60 HG21 VAL 60 10.602 4.666 -4.620 485 HG22 VAL 60 HG22 VAL 60 9.595 3.924 -5.865 486 HG23 VAL 60 HG23 VAL 60 9.777 5.681 -5.809 487 H ALA 61 H ALA 61 11.516 1.983 -4.306 488 HA ALA 61 HA ALA 61 14.005 1.745 -2.955 489 HB1 ALA 61 HB1 ALA 61 13.602 3.159 -0.976 490 HB2 ALA 61 HB2 ALA 61 12.116 3.775 -1.707 491 HB3 ALA 61 HB3 ALA 61 13.675 4.131 -2.448 492 H ILE 62 H ILE 62 13.940 0.284 -1.295 493 HA ILE 62 HA ILE 62 11.565 -0.464 0.152 494 HB ILE 62 HB ILE 62 11.073 -1.777 -1.844 495 HG12 ILE 62 HG12 ILE 62 12.168 -3.598 0.357 496 HG13 ILE 62 HG13 ILE 62 10.560 -2.889 0.308 497 HG21 ILE 62 HG21 ILE 62 13.292 -1.837 -2.868 498 HG22 ILE 62 HG22 ILE 62 12.600 -3.459 -2.799 499 HG23 ILE 62 HG23 ILE 62 13.851 -2.982 -1.647 500 HD11 ILE 62 HD11 ILE 62 10.038 -4.256 -1.666 501 HD12 ILE 62 HD12 ILE 62 10.502 -5.228 -0.271 502 HD13 ILE 62 HD13 ILE 62 11.651 -4.973 -1.584 503 H ARG 63 H ARG 63 12.057 -1.742 2.008 504 HA ARG 63 HA ARG 63 14.751 -2.783 2.433 505 HB2 ARG 63 HB2 ARG 63 14.825 -0.322 3.067 506 HB3 ARG 63 HB3 ARG 63 13.661 -0.655 4.342 507 HG2 ARG 63 HG2 ARG 63 15.283 -2.135 5.457 508 HG3 ARG 63 HG3 ARG 63 16.432 -1.898 4.134 509 HD2 ARG 63 HD2 ARG 63 16.403 0.580 4.676 510 HD3 ARG 63 HD3 ARG 63 15.460 0.190 6.118 511 HE ARG 63 HE ARG 63 17.429 -1.269 6.748 512 HH11 ARG 63 HH11 ARG 63 17.868 1.602 4.859 513 HH12 ARG 63 HH12 ARG 63 19.527 1.763 5.313 514 HH21 ARG 63 HH21 ARG 63 19.552 -1.034 7.298 515 HH22 ARG 63 HH22 ARG 63 20.465 0.294 6.669 516 H ALA 64 H ALA 64 14.090 -4.794 2.886 517 HA ALA 64 HA ALA 64 12.980 -6.609 3.616 518 HB1 ALA 64 HB1 ALA 64 14.318 -6.059 5.607 519 HB2 ALA 64 HB2 ALA 64 12.805 -6.857 6.043 520 HB3 ALA 64 HB3 ALA 64 12.973 -5.112 6.250 521 H TYR 65 H TYR 65 11.167 -4.574 5.870 522 HA TYR 65 HA TYR 65 8.727 -4.537 4.258 523 HB2 TYR 65 HB2 TYR 65 7.320 -5.618 5.913 524 HB3 TYR 65 HB3 TYR 65 8.656 -6.706 5.578 525 HD1 TYR 65 HD2 TYR 65 10.791 -6.252 7.268 526 HD2 TYR 65 HD1 TYR 65 6.691 -5.456 8.175 527 HE1 TYR 65 HE2 TYR 65 11.298 -6.384 9.673 528 HE2 TYR 65 HE1 TYR 65 7.194 -5.580 10.573 529 HH TYR 65 HH TYR 65 10.352 -5.557 11.815 530 H SER 66 H SER 66 10.895 -2.972 6.114 531 HA SER 66 HA SER 66 9.384 -1.366 7.912 532 HB2 SER 66 HB2 SER 66 12.151 -0.853 6.728 533 HB3 SER 66 HB3 SER 66 11.467 -0.060 8.151 534 HG SER 66 HG SER 66 11.868 -1.786 9.313 535 H PHE 67 H PHE 67 10.373 -1.020 4.538 536 HA PHE 67 HA PHE 67 7.992 0.485 4.016 537 HB2 PHE 67 HB2 PHE 67 9.071 2.474 2.919 538 HB3 PHE 67 HB3 PHE 67 9.303 2.425 4.662 539 HD1 PHE 67 HD1 PHE 67 11.005 2.004 1.382 540 HD2 PHE 67 HD2 PHE 67 11.514 2.214 5.624 541 HE1 PHE 67 HE1 PHE 67 13.424 2.283 1.081 542 HE2 PHE 67 HE2 PHE 67 13.937 2.514 5.314 543 HZ PHE 67 HZ PHE 67 14.892 2.547 3.042 544 H ILE 68 H ILE 68 7.459 0.664 1.808 545 HA ILE 68 HA ILE 68 9.356 -0.107 -0.257 546 HB ILE 68 HB ILE 68 8.365 -2.296 0.272 547 HG12 ILE 68 HG12 ILE 68 7.291 -1.216 -2.381 548 HG13 ILE 68 HG13 ILE 68 8.932 -1.792 -2.106 549 HG21 ILE 68 HG21 ILE 68 6.241 -1.584 1.278 550 HG22 ILE 68 HG22 ILE 68 5.956 -2.780 0.011 551 HG23 ILE 68 HG23 ILE 68 5.643 -1.071 -0.303 552 HD11 ILE 68 HD11 ILE 68 6.432 -3.464 -1.944 553 HD12 ILE 68 HD12 ILE 68 8.085 -4.038 -1.714 554 HD13 ILE 68 HD13 ILE 68 7.575 -3.418 -3.283 555 H ARG 69 H ARG 69 8.895 0.847 -2.271 556 HA ARG 69 HA ARG 69 6.353 2.122 -2.809 557 HB2 ARG 69 HB2 ARG 69 7.529 4.423 -3.222 558 HB3 ARG 69 HB3 ARG 69 7.064 3.973 -1.596 559 HG2 ARG 69 HG2 ARG 69 9.780 3.077 -1.988 560 HG3 ARG 69 HG3 ARG 69 9.674 4.738 -2.568 561 HD2 ARG 69 HD2 ARG 69 8.679 5.399 -0.364 562 HD3 ARG 69 HD3 ARG 69 8.887 3.735 0.198 563 HE ARG 69 HE ARG 69 11.378 4.562 -0.634 564 HH11 ARG 69 HH11 ARG 69 9.156 5.748 1.729 565 HH12 ARG 69 HH12 ARG 69 10.419 6.247 2.794 566 HH21 ARG 69 HH21 ARG 69 12.956 5.196 0.745 567 HH22 ARG 69 HH22 ARG 69 12.535 5.936 2.249 568 H PHE 70 H PHE 70 5.967 2.568 -4.898 569 HA PHE 70 HA PHE 70 8.019 1.944 -6.964 570 HB2 PHE 70 HB2 PHE 70 4.982 1.593 -7.092 571 HB3 PHE 70 HB3 PHE 70 6.084 1.300 -8.429 572 HD1 PHE 70 HD2 PHE 70 5.366 0.146 -4.919 573 HD2 PHE 70 HD1 PHE 70 6.889 -0.885 -8.786 574 HE1 PHE 70 HE2 PHE 70 5.560 -2.202 -4.226 575 HE2 PHE 70 HE1 PHE 70 7.061 -3.231 -8.076 576 HZ PHE 70 HZ PHE 70 6.403 -3.888 -5.802 577 H HIS 71 H HIS 71 8.019 3.293 -8.849 578 HA HIS 71 HA HIS 71 6.002 5.455 -9.022 579 HB2 HIS 71 HB2 HIS 71 8.970 5.704 -9.568 580 HB3 HIS 71 HB3 HIS 71 7.804 6.785 -10.319 581 HD1 HIS 71 HD1 HIS 71 6.350 6.427 -7.165 582 HD2 HIS 71 HD2 HIS 71 9.740 8.357 -8.553 583 HE1 HIS 71 HE1 HIS 71 6.943 8.070 -5.380 584 HE2 HIS 71 HE2 HIS 71 8.858 9.377 -6.347 585 H TRP 72 H TRP 72 5.190 5.894 -11.038 586 HA TRP 72 HA TRP 72 5.227 3.555 -12.781 587 HB2 TRP 72 HB2 TRP 72 3.273 4.890 -13.959 588 HB3 TRP 72 HB3 TRP 72 3.016 4.102 -12.411 589 HD1 TRP 72 HD1 TRP 72 4.353 7.708 -13.206 590 HE1 TRP 72 HE1 TRP 72 2.913 9.373 -11.892 591 HE3 TRP 72 HE3 TRP 72 1.105 4.418 -11.010 592 HZ2 TRP 72 HZ2 TRP 72 0.702 9.314 -10.146 593 HZ3 TRP 72 HZ3 TRP 72 -0.647 5.308 -9.522 594 HH2 TRP 72 HH2 TRP 72 -0.844 7.712 -9.098 595 H LEU 73 H LEU 73 6.492 3.370 -14.483 596 HA LEU 73 HA LEU 73 7.737 5.526 -15.917 597 HB2 LEU 73 HB2 LEU 73 7.308 2.653 -16.835 598 HB3 LEU 73 HB3 LEU 73 8.469 3.799 -17.497 599 HG LEU 73 HG LEU 73 8.557 2.503 -14.738 600 HD11 LEU 73 HD11 LEU 73 9.237 1.014 -16.554 601 HD12 LEU 73 HD12 LEU 73 10.608 1.437 -15.534 602 HD13 LEU 73 HD13 LEU 73 10.420 2.202 -17.115 603 HD21 LEU 73 HD21 LEU 73 10.470 4.566 -15.895 604 HD22 LEU 73 HD22 LEU 73 10.716 3.661 -14.398 605 HD23 LEU 73 HD23 LEU 73 9.376 4.796 -14.527 606 H ASP 74 H ASP 74 4.813 3.612 -16.302 607 HA ASP 74 HA ASP 74 3.832 5.039 -18.632 608 HB2 ASP 74 HB2 ASP 74 3.293 2.603 -18.066 609 HB3 ASP 74 HB3 ASP 74 2.330 3.186 -16.716 610 H ASP 75 H ASP 75 4.287 7.095 -17.587 611 HA ASP 75 HA ASP 75 3.196 7.866 -15.074 612 HB2 ASP 75 HB2 ASP 75 5.395 8.626 -16.115 613 HB3 ASP 75 HB3 ASP 75 4.459 9.687 -17.156 614 H GLU 76 H GLU 76 1.538 9.225 -14.555 615 HA GLU 76 HA GLU 76 -0.137 10.520 -16.584 616 HB2 GLU 76 HB2 GLU 76 -0.939 8.115 -16.297 617 HB3 GLU 76 HB3 GLU 76 -1.312 8.492 -14.619 618 HG2 GLU 76 HG2 GLU 76 -3.021 10.075 -15.302 619 HG3 GLU 76 HG3 GLU 76 -2.559 9.914 -16.994 620 H ASN 77 H ASN 77 1.648 11.260 -14.251 621 HA ASN 77 HA ASN 77 -0.163 13.081 -12.821 622 HB2 ASN 77 HB2 ASN 77 -0.033 10.891 -11.516 623 HB3 ASN 77 HB3 ASN 77 1.686 11.188 -11.303 624 HD21 ASN 77 HD21 ASN 77 -1.524 12.156 -10.381 625 HD22 ASN 77 HD22 ASN 77 -1.057 13.130 -9.036 626 H GLU 78 H GLU 78 1.018 14.716 -11.538 627 HA GLU 78 HA GLU 78 3.370 15.748 -12.802 628 HB2 GLU 78 HB2 GLU 78 1.617 17.178 -11.717 629 HB3 GLU 78 HB3 GLU 78 2.086 16.531 -10.146 630 HG2 GLU 78 HG2 GLU 78 4.419 17.475 -10.598 631 HG3 GLU 78 HG3 GLU 78 3.720 18.303 -11.986 632 H ARG 79 H ARG 79 2.949 15.001 -9.316 633 HA ARG 79 HA ARG 79 5.694 13.879 -9.189 634 HB2 ARG 79 HB2 ARG 79 5.335 16.290 -8.266 635 HB3 ARG 79 HB3 ARG 79 4.416 15.542 -6.973 636 HG2 ARG 79 HG2 ARG 79 7.340 14.939 -7.573 637 HG3 ARG 79 HG3 ARG 79 6.794 16.134 -6.401 638 HD2 ARG 79 HD2 ARG 79 5.656 14.281 -5.135 639 HD3 ARG 79 HD3 ARG 79 6.358 13.128 -6.274 640 HE ARG 79 HE ARG 79 8.249 14.869 -4.919 641 HH11 ARG 79 HH11 ARG 79 6.820 11.732 -4.982 642 HH12 ARG 79 HH12 ARG 79 7.952 11.089 -3.853 643 HH21 ARG 79 HH21 ARG 79 9.671 14.020 -3.486 644 HH22 ARG 79 HH22 ARG 79 9.542 12.362 -3.020 645 H ASP 80 H ASP 80 4.939 11.760 -9.264 646 HA ASP 80 HA ASP 80 2.941 10.638 -7.606 647 HB2 ASP 80 HB2 ASP 80 3.721 9.523 -9.662 648 HB3 ASP 80 HB3 ASP 80 5.322 9.308 -8.962 649 H TYR 81 H TYR 81 3.033 9.594 -5.654 650 HA TYR 81 HA TYR 81 5.401 9.053 -4.150 651 HB2 TYR 81 HB2 TYR 81 5.345 11.522 -3.839 652 HB3 TYR 81 HB3 TYR 81 3.702 11.418 -3.212 653 HD1 TYR 81 HD2 TYR 81 6.564 9.123 -2.348 654 HD2 TYR 81 HD1 TYR 81 4.048 12.317 -1.005 655 HE1 TYR 81 HE2 TYR 81 7.483 8.897 -0.078 656 HE2 TYR 81 HE1 TYR 81 4.974 12.083 1.255 657 HH TYR 81 HH TYR 81 7.761 10.263 1.942 658 H PHE 82 H PHE 82 4.399 7.031 -4.065 659 HA PHE 82 HA PHE 82 2.245 6.764 -2.061 660 HB2 PHE 82 HB2 PHE 82 1.298 6.525 -4.383 661 HB3 PHE 82 HB3 PHE 82 2.397 5.184 -4.670 662 HD1 PHE 82 HD1 PHE 82 -0.184 6.247 -2.146 663 HD2 PHE 82 HD2 PHE 82 1.496 3.013 -4.389 664 HE1 PHE 82 HE1 PHE 82 -1.887 4.731 -1.248 665 HE2 PHE 82 HE2 PHE 82 -0.213 1.500 -3.470 666 HZ PHE 82 HZ PHE 82 -1.906 2.358 -1.901 667 H GLU 83 H GLU 83 3.211 5.775 -0.398 668 HA GLU 83 HA GLU 83 4.826 3.337 -0.881 669 HB2 GLU 83 HB2 GLU 83 6.309 3.903 0.991 670 HB3 GLU 83 HB3 GLU 83 6.372 5.135 -0.261 671 HG2 GLU 83 HG2 GLU 83 5.048 6.657 1.055 672 HG3 GLU 83 HG3 GLU 83 4.725 5.407 2.258 673 H ILE 84 H ILE 84 4.782 1.767 0.723 674 HA ILE 84 HA ILE 84 2.640 1.899 2.770 675 HB ILE 84 HB ILE 84 3.298 -0.573 1.077 676 HG12 ILE 84 HG12 ILE 84 0.742 -0.241 0.386 677 HG13 ILE 84 HG13 ILE 84 1.029 1.436 0.823 678 HG21 ILE 84 HG21 ILE 84 1.163 -0.189 3.212 679 HG22 ILE 84 HG22 ILE 84 2.638 -1.147 3.371 680 HG23 ILE 84 HG23 ILE 84 1.392 -1.635 2.226 681 HD11 ILE 84 HD11 ILE 84 2.525 -0.126 -1.281 682 HD12 ILE 84 HD12 ILE 84 2.768 1.577 -0.880 683 HD13 ILE 84 HD13 ILE 84 1.234 1.041 -1.561 684 H LYS 85 H LYS 85 3.403 1.326 4.803 685 HA LYS 85 HA LYS 85 5.444 -0.779 4.977 686 HB2 LYS 85 HB2 LYS 85 6.636 0.367 6.820 687 HB3 LYS 85 HB3 LYS 85 6.786 1.197 5.285 688 HG2 LYS 85 HG2 LYS 85 4.774 2.096 7.358 689 HG3 LYS 85 HG3 LYS 85 6.468 2.595 7.433 690 HD2 LYS 85 HD2 LYS 85 6.238 3.555 5.117 691 HD3 LYS 85 HD3 LYS 85 4.518 3.142 5.154 692 HE2 LYS 85 HE2 LYS 85 4.240 4.611 7.142 693 HE3 LYS 85 HE3 LYS 85 5.946 5.056 7.034 694 HZ1 LYS 85 HZ1 LYS 85 4.475 6.689 6.022 695 HZ2 LYS 85 HZ2 LYS 85 3.913 5.532 4.933 696 HZ3 LYS 85 HZ3 LYS 85 5.533 6.020 4.883 697 H MET 86 H MET 86 5.633 -1.693 7.178 698 HA MET 86 HA MET 86 3.264 -1.505 8.878 699 HB2 MET 86 HB2 MET 86 2.979 -4.021 8.808 700 HB3 MET 86 HB3 MET 86 2.500 -3.185 7.346 701 HG2 MET 86 HG2 MET 86 5.063 -3.838 6.693 702 HG3 MET 86 HG3 MET 86 4.656 -5.177 7.762 703 HE1 MET 86 HE1 MET 86 1.308 -4.996 6.943 704 HE2 MET 86 HE2 MET 86 2.154 -6.489 7.363 705 HE3 MET 86 HE3 MET 86 1.284 -6.367 5.834 706 H SER 87 H SER 87 3.695 -1.948 10.998 707 HA SER 87 HA SER 87 6.474 -2.737 11.726 708 HB2 SER 87 HB2 SER 87 6.219 -0.303 11.995 709 HB3 SER 87 HB3 SER 87 4.782 -0.531 12.990 710 HG SER 87 HG SER 87 6.338 -0.323 14.467 711 H TYR 88 H TYR 88 6.753 -3.840 13.731 712 HA TYR 88 HA TYR 88 4.298 -5.215 14.724 713 HB2 TYR 88 HB2 TYR 88 5.718 -6.617 13.252 714 HB3 TYR 88 HB3 TYR 88 7.106 -6.326 14.290 715 HD1 TYR 88 HD1 TYR 88 3.547 -7.433 14.914 716 HD2 TYR 88 HD2 TYR 88 7.695 -8.294 15.450 717 HE1 TYR 88 HE1 TYR 88 2.970 -9.449 16.183 718 HE2 TYR 88 HE2 TYR 88 7.112 -10.314 16.709 719 HH TYR 88 HH TYR 88 3.982 -11.599 16.780 720 H ASN 89 H ASN 89 3.895 -4.399 16.757 721 HA ASN 89 HA ASN 89 5.951 -3.404 18.512 722 HB2 ASN 89 HB2 ASN 89 2.998 -3.946 19.029 723 HB3 ASN 89 HB3 ASN 89 4.078 -3.213 20.211 724 HD21 ASN 89 HD21 ASN 89 2.263 -2.706 17.322 725 HD22 ASN 89 HD22 ASN 89 2.526 -1.011 17.221 726 H GLU 90 H GLU 90 4.315 -6.467 18.137 727 HA GLU 90 HA GLU 90 4.770 -8.555 18.820 728 HB2 GLU 90 HB2 GLU 90 7.188 -7.864 18.812 729 HB3 GLU 90 HB3 GLU 90 7.047 -7.471 20.521 730 HG2 GLU 90 HG2 GLU 90 6.422 -9.882 20.942 731 HG3 GLU 90 HG3 GLU 90 6.750 -10.204 19.240 732 H LEU 91 H LEU 91 4.777 -6.187 21.464 733 HA LEU 91 HA LEU 91 4.211 -7.918 23.622 734 HB2 LEU 91 HB2 LEU 91 3.746 -4.924 23.344 735 HB3 LEU 91 HB3 LEU 91 3.733 -5.809 24.864 736 HG LEU 91 HG LEU 91 6.179 -5.553 23.054 737 HD11 LEU 91 HD11 LEU 91 5.601 -3.357 23.955 738 HD12 LEU 91 HD12 LEU 91 7.075 -3.969 24.703 739 HD13 LEU 91 HD13 LEU 91 5.550 -4.014 25.595 740 HD21 LEU 91 HD21 LEU 91 5.940 -6.624 25.892 741 HD22 LEU 91 HD22 LEU 91 7.435 -6.456 24.966 742 HD23 LEU 91 HD23 LEU 91 6.198 -7.591 24.437 743 H THR 92 H THR 92 2.154 -6.346 21.259 744 HA THR 92 HA THR 92 -0.207 -7.606 22.514 745 HB THR 92 HB THR 92 -0.507 -5.183 22.529 746 HG1 THR 92 HG1 THR 92 -2.136 -6.457 20.552 747 HG21 THR 92 HG21 THR 92 0.957 -4.525 20.663 748 HG22 THR 92 HG22 THR 92 -0.661 -3.847 20.458 749 HG23 THR 92 HG23 THR 92 -0.159 -5.250 19.509 750 H GLY 93 H GLY 93 1.928 -7.860 19.949 751 HA2 GLY 93 HA2 GLY 93 2.060 -9.313 18.184 752 HA3 GLY 93 HA3 GLY 93 0.605 -10.083 18.786 753 H ASP 94 H ASP 94 0.843 -6.741 17.722 754 HA ASP 94 HA ASP 94 -1.308 -7.122 15.754 755 HB2 ASP 94 HB2 ASP 94 -1.639 -4.726 15.983 756 HB3 ASP 94 HB3 ASP 94 -1.421 -5.376 17.605 757 H TYR 95 H TYR 95 -1.023 -5.254 13.889 758 HA TYR 95 HA TYR 95 1.790 -4.598 13.351 759 HB2 TYR 95 HB2 TYR 95 -0.021 -6.040 11.462 760 HB3 TYR 95 HB3 TYR 95 0.785 -4.654 10.748 761 HD1 TYR 95 HD2 TYR 95 3.263 -4.591 10.588 762 HD2 TYR 95 HD1 TYR 95 1.266 -8.093 12.006 763 HE1 TYR 95 HE2 TYR 95 5.300 -5.892 10.217 764 HE2 TYR 95 HE1 TYR 95 3.322 -9.399 11.641 765 HH TYR 95 HH TYR 95 6.342 -8.002 11.109 766 H VAL 96 H VAL 96 2.014 -2.443 13.344 767 HA VAL 96 HA VAL 96 -0.158 -0.579 12.941 768 HB VAL 96 HB VAL 96 2.845 -0.055 13.210 769 HG11 VAL 96 HG11 VAL 96 2.210 2.295 13.714 770 HG12 VAL 96 HG12 VAL 96 0.521 1.915 13.380 771 HG13 VAL 96 HG13 VAL 96 1.714 1.834 12.082 772 HG21 VAL 96 HG21 VAL 96 2.340 0.566 15.551 773 HG22 VAL 96 HG22 VAL 96 1.904 -1.114 15.233 774 HG23 VAL 96 HG23 VAL 96 0.648 0.124 15.311 775 H LEU 97 H LEU 97 -0.928 -0.561 10.900 776 HA LEU 97 HA LEU 97 0.872 -0.822 8.579 777 HB2 LEU 97 HB2 LEU 97 -1.143 -2.309 8.869 778 HB3 LEU 97 HB3 LEU 97 -2.168 -0.902 8.691 779 HG LEU 97 HG LEU 97 -1.252 -0.553 6.390 780 HD11 LEU 97 HD11 LEU 97 0.077 -2.294 5.300 781 HD12 LEU 97 HD12 LEU 97 0.169 -3.198 6.814 782 HD13 LEU 97 HD13 LEU 97 0.939 -1.613 6.684 783 HD21 LEU 97 HD21 LEU 97 -3.368 -1.763 6.684 784 HD22 LEU 97 HD22 LEU 97 -2.491 -3.291 6.819 785 HD23 LEU 97 HD23 LEU 97 -2.463 -2.387 5.304 786 H GLU 98 H GLU 98 1.550 1.069 7.657 787 HA GLU 98 HA GLU 98 -0.245 3.431 7.709 788 HB2 GLU 98 HB2 GLU 98 1.836 3.351 9.370 789 HB3 GLU 98 HB3 GLU 98 2.761 3.785 7.943 790 HG2 GLU 98 HG2 GLU 98 0.363 5.408 8.842 791 HG3 GLU 98 HG3 GLU 98 1.956 5.658 9.546 792 H ILE 99 H ILE 99 -0.889 3.556 5.655 793 HA ILE 99 HA ILE 99 0.982 3.376 3.389 794 HB ILE 99 HB ILE 99 -2.073 3.567 3.509 795 HG12 ILE 99 HG12 ILE 99 -1.966 1.369 2.219 796 HG13 ILE 99 HG13 ILE 99 -0.231 1.353 2.497 797 HG21 ILE 99 HG21 ILE 99 -2.112 3.433 1.027 798 HG22 ILE 99 HG22 ILE 99 -0.359 3.633 1.001 799 HG23 ILE 99 HG23 ILE 99 -1.386 4.933 1.612 800 HD11 ILE 99 HD11 ILE 99 -2.366 1.246 4.619 801 HD12 ILE 99 HD12 ILE 99 -0.620 1.179 4.891 802 HD13 ILE 99 HD13 ILE 99 -1.425 -0.115 4.006 803 H THR 100 H THR 100 2.015 5.247 2.914 804 HA THR 100 HA THR 100 0.767 7.862 3.426 805 HB THR 100 HB THR 100 3.615 7.077 2.734 806 HG1 THR 100 HG1 THR 100 2.263 7.489 5.032 807 HG21 THR 100 HG21 THR 100 3.205 9.187 1.558 808 HG22 THR 100 HG22 THR 100 4.236 9.469 2.962 809 HG23 THR 100 HG23 THR 100 2.523 9.897 3.023 810 H ASP 101 H ASP 101 -0.170 8.948 1.874 811 HA ASP 101 HA ASP 101 0.462 8.536 -0.988 812 HB2 ASP 101 HB2 ASP 101 -1.558 7.216 -0.417 813 HB3 ASP 101 HB3 ASP 101 -2.304 8.626 0.326 814 H PHE 102 H PHE 102 -0.493 10.428 -2.297 815 HA PHE 102 HA PHE 102 -0.662 12.949 -0.727 816 HB2 PHE 102 HB2 PHE 102 0.354 14.156 -2.583 817 HB3 PHE 102 HB3 PHE 102 1.411 12.824 -2.142 818 HD1 PHE 102 HD1 PHE 102 1.102 10.604 -3.582 819 HD2 PHE 102 HD2 PHE 102 -0.144 14.485 -4.877 820 HE1 PHE 102 HE1 PHE 102 1.100 9.830 -5.911 821 HE2 PHE 102 HE2 PHE 102 -0.141 13.696 -7.207 822 HZ PHE 102 HZ PHE 102 0.475 11.369 -7.721 823 H SER 103 H SER 103 -2.644 13.809 -0.774 824 HA SER 103 HA SER 103 -4.325 13.668 -3.209 825 HB2 SER 103 HB2 SER 103 -5.292 13.038 -0.381 826 HB3 SER 103 HB3 SER 103 -6.370 13.339 -1.746 827 HG SER 103 HG SER 103 -4.398 11.281 -1.693 828 H GLU 104 H GLU 104 -5.526 15.525 -3.591 829 HA GLU 104 HA GLU 104 -4.616 17.989 -2.501 830 HB2 GLU 104 HB2 GLU 104 -7.239 17.602 -4.010 831 HB3 GLU 104 HB3 GLU 104 -6.230 19.048 -3.935 832 HG2 GLU 104 HG2 GLU 104 -4.487 17.926 -5.226 833 HG3 GLU 104 HG3 GLU 104 -5.443 16.443 -5.273 834 H ALA 105 H ALA 105 -6.029 19.628 -1.315 835 HA ALA 105 HA ALA 105 -7.191 18.841 1.029 836 HB1 ALA 105 HB1 ALA 105 -7.969 21.292 -0.565 837 HB2 ALA 105 HB2 ALA 105 -6.569 21.160 0.503 838 HB3 ALA 105 HB3 ALA 105 -8.201 21.071 1.170 839 H ASP 106 H ASP 106 -8.994 19.484 -1.992 840 HA ASP 106 HA ASP 106 -11.597 18.818 -0.954 841 HB2 ASP 106 HB2 ASP 106 -11.150 20.381 -2.882 842 HB3 ASP 106 HB3 ASP 106 -10.692 18.992 -3.854 843 H GLU 107 H GLU 107 -8.994 16.895 -2.122 844 HA GLU 107 HA GLU 107 -10.660 14.582 -2.888 845 HB2 GLU 107 HB2 GLU 107 -7.641 15.035 -3.032 846 HB3 GLU 107 HB3 GLU 107 -8.478 13.596 -3.615 847 HG2 GLU 107 HG2 GLU 107 -8.852 16.414 -4.684 848 HG3 GLU 107 HG3 GLU 107 -7.879 15.155 -5.437 849 H ALA 108 H ALA 108 -8.649 15.668 -0.247 850 HA ALA 108 HA ALA 108 -7.793 13.072 0.683 851 HB1 ALA 108 HB1 ALA 108 -6.741 14.279 2.527 852 HB2 ALA 108 HB2 ALA 108 -7.610 15.755 2.085 853 HB3 ALA 108 HB3 ALA 108 -6.402 15.078 0.989 854 H ASP 109 H ASP 109 -10.513 15.130 1.387 855 HA ASP 109 HA ASP 109 -11.405 14.219 3.878 856 HB2 ASP 109 HB2 ASP 109 -12.361 16.157 2.699 857 HB3 ASP 109 HB3 ASP 109 -12.986 15.113 1.430 858 H ASP 110 H ASP 110 -11.980 12.865 0.637 859 HA ASP 110 HA ASP 110 -13.665 10.696 1.327 860 HB2 ASP 110 HB2 ASP 110 -11.685 10.901 -0.980 861 HB3 ASP 110 HB3 ASP 110 -13.028 9.766 -0.878 862 H LEU 111 H LEU 111 -10.142 10.979 1.152 863 HA LEU 111 HA LEU 111 -9.485 8.239 1.617 864 HB2 LEU 111 HB2 LEU 111 -7.949 10.841 1.715 865 HB3 LEU 111 HB3 LEU 111 -7.199 9.382 2.314 866 HG LEU 111 HG LEU 111 -6.462 9.809 0.031 867 HD11 LEU 111 HD11 LEU 111 -6.991 7.680 -1.040 868 HD12 LEU 111 HD12 LEU 111 -8.336 7.432 0.078 869 HD13 LEU 111 HD13 LEU 111 -6.677 7.469 0.683 870 HD21 LEU 111 HD21 LEU 111 -9.374 9.696 -0.821 871 HD22 LEU 111 HD22 LEU 111 -7.977 9.835 -1.896 872 HD23 LEU 111 HD23 LEU 111 -8.356 11.139 -0.775 873 H LYS 112 H LYS 112 -9.963 10.991 3.763 874 HA LYS 112 HA LYS 112 -9.133 9.754 6.193 875 HB2 LYS 112 HB2 LYS 112 -11.045 12.074 5.725 876 HB3 LYS 112 HB3 LYS 112 -10.384 11.625 7.298 877 HG2 LYS 112 HG2 LYS 112 -8.728 12.501 4.909 878 HG3 LYS 112 HG3 LYS 112 -9.235 13.560 6.232 879 HD2 LYS 112 HD2 LYS 112 -7.944 12.161 7.829 880 HD3 LYS 112 HD3 LYS 112 -7.440 11.108 6.498 881 HE2 LYS 112 HE2 LYS 112 -5.697 12.771 7.107 882 HE3 LYS 112 HE3 LYS 112 -6.242 12.956 5.441 883 HZ1 LYS 112 HZ1 LYS 112 -7.669 14.780 6.176 884 HZ2 LYS 112 HZ2 LYS 112 -6.045 15.086 6.509 885 HZ3 LYS 112 HZ3 LYS 112 -7.087 14.621 7.752 886 H GLU 113 H GLU 113 -12.316 10.025 4.606 887 HA GLU 113 HA GLU 113 -13.786 8.540 6.567 888 HB2 GLU 113 HB2 GLU 113 -14.361 9.071 3.623 889 HB3 GLU 113 HB3 GLU 113 -15.495 8.287 4.724 890 HG2 GLU 113 HG2 GLU 113 -15.461 10.361 6.139 891 HG3 GLU 113 HG3 GLU 113 -14.460 11.135 4.905 892 H LEU 114 H LEU 114 -11.953 7.649 3.681 893 HA LEU 114 HA LEU 114 -12.557 4.886 3.536 894 HB2 LEU 114 HB2 LEU 114 -11.434 6.266 1.766 895 HB3 LEU 114 HB3 LEU 114 -9.986 6.329 2.741 896 HG LEU 114 HG LEU 114 -11.063 3.644 1.799 897 HD11 LEU 114 HD11 LEU 114 -10.922 5.027 -0.225 898 HD12 LEU 114 HD12 LEU 114 -9.676 3.783 -0.220 899 HD13 LEU 114 HD13 LEU 114 -9.252 5.455 0.164 900 HD21 LEU 114 HD21 LEU 114 -9.232 3.584 3.455 901 HD22 LEU 114 HD22 LEU 114 -8.226 4.573 2.396 902 HD23 LEU 114 HD23 LEU 114 -8.702 2.947 1.898 903 H TRP 115 H TRP 115 -10.107 6.703 5.361 904 HA TRP 115 HA TRP 115 -8.674 4.665 6.617 905 HB2 TRP 115 HB2 TRP 115 -7.912 6.951 6.820 906 HB3 TRP 115 HB3 TRP 115 -9.419 7.467 7.557 907 HD1 TRP 115 HD1 TRP 115 -6.120 5.674 8.437 908 HE1 TRP 115 HE1 TRP 115 -5.877 5.620 10.995 909 HE3 TRP 115 HE3 TRP 115 -10.708 7.536 9.772 910 HZ2 TRP 115 HZ2 TRP 115 -7.401 6.249 13.277 911 HZ3 TRP 115 HZ3 TRP 115 -11.237 7.776 12.164 912 HH2 TRP 115 HH2 TRP 115 -9.614 7.146 13.885 913 H ASP 116 H ASP 116 -11.654 6.296 7.766 914 HA ASP 116 HA ASP 116 -11.969 4.802 10.166 915 HB2 ASP 116 HB2 ASP 116 -12.939 7.084 9.721 916 HB3 ASP 116 HB3 ASP 116 -14.103 6.343 8.624 917 H SER 117 H SER 117 -13.237 4.383 6.906 918 HA SER 117 HA SER 117 -15.030 2.252 7.334 919 HB2 SER 117 HB2 SER 117 -13.374 2.955 4.877 920 HB3 SER 117 HB3 SER 117 -14.698 1.787 4.876 921 HG SER 117 HG SER 117 -14.775 4.524 4.822 922 H GLN 118 H GLN 118 -11.523 2.242 6.637 923 HA GLN 118 HA GLN 118 -11.321 -0.633 6.402 924 HB2 GLN 118 HB2 GLN 118 -9.202 1.541 6.562 925 HB3 GLN 118 HB3 GLN 118 -8.833 -0.162 6.299 926 HG2 GLN 118 HG2 GLN 118 -10.533 1.543 4.448 927 HG3 GLN 118 HG3 GLN 118 -8.814 1.217 4.228 928 HE21 GLN 118 HE21 GLN 118 -12.027 -0.148 4.085 929 HE22 GLN 118 HE22 GLN 118 -11.587 -1.580 3.228 930 H VAL 119 H VAL 119 -10.588 1.729 8.992 931 HA VAL 119 HA VAL 119 -9.044 -0.032 10.606 932 HB VAL 119 HB VAL 119 -9.014 2.490 10.760 933 HG11 VAL 119 HG11 VAL 119 -11.433 2.949 10.787 934 HG12 VAL 119 HG12 VAL 119 -10.638 3.673 12.186 935 HG13 VAL 119 HG13 VAL 119 -11.572 2.186 12.373 936 HG21 VAL 119 HG21 VAL 119 -9.412 1.042 13.400 937 HG22 VAL 119 HG22 VAL 119 -8.587 2.590 13.188 938 HG23 VAL 119 HG23 VAL 119 -7.908 1.124 12.476 939 H SER 120 H SER 120 -12.528 0.673 10.534 940 HA SER 120 HA SER 120 -13.288 -1.122 12.646 941 HB2 SER 120 HB2 SER 120 -14.772 0.714 11.878 942 HB3 SER 120 HB3 SER 120 -14.933 -0.066 10.306 943 HG SER 120 HG SER 120 -16.057 -0.747 12.773 944 H LYS 121 H LYS 121 -13.049 -1.413 9.105 945 HA LYS 121 HA LYS 121 -14.301 -3.918 8.755 946 HB2 LYS 121 HB2 LYS 121 -14.004 -2.358 6.920 947 HB3 LYS 121 HB3 LYS 121 -12.254 -2.471 7.041 948 HG2 LYS 121 HG2 LYS 121 -12.282 -4.755 6.218 949 HG3 LYS 121 HG3 LYS 121 -14.047 -4.794 6.260 950 HD2 LYS 121 HD2 LYS 121 -12.392 -2.953 4.475 951 HD3 LYS 121 HD3 LYS 121 -13.112 -4.482 3.956 952 HE2 LYS 121 HE2 LYS 121 -14.655 -2.059 4.965 953 HE3 LYS 121 HE3 LYS 121 -14.496 -2.548 3.277 954 HZ1 LYS 121 HZ1 LYS 121 -15.830 -4.106 5.433 955 HZ2 LYS 121 HZ2 LYS 121 -15.619 -4.632 3.841 956 HZ3 LYS 121 HZ3 LYS 121 -16.590 -3.289 4.158 957 H LEU 122 H LEU 122 -10.901 -3.148 9.417 958 HA LEU 122 HA LEU 122 -9.710 -5.651 8.922 959 HB2 LEU 122 HB2 LEU 122 -8.969 -3.183 10.423 960 HB3 LEU 122 HB3 LEU 122 -8.110 -4.628 10.915 961 HG LEU 122 HG LEU 122 -7.156 -4.930 8.724 962 HD11 LEU 122 HD11 LEU 122 -8.810 -2.591 7.729 963 HD12 LEU 122 HD12 LEU 122 -9.044 -4.287 7.299 964 HD13 LEU 122 HD13 LEU 122 -7.571 -3.452 6.812 965 HD21 LEU 122 HD21 LEU 122 -6.954 -2.015 9.516 966 HD22 LEU 122 HD22 LEU 122 -5.807 -2.903 8.507 967 HD23 LEU 122 HD23 LEU 122 -6.018 -3.349 10.198 968 H ARG 123 H ARG 123 -11.420 -4.470 11.755 969 HA ARG 123 HA ARG 123 -10.875 -6.736 13.457 970 HB2 ARG 123 HB2 ARG 123 -13.062 -4.626 13.612 971 HB3 ARG 123 HB3 ARG 123 -12.639 -5.754 14.902 972 HG2 ARG 123 HG2 ARG 123 -10.449 -4.702 15.161 973 HG3 ARG 123 HG3 ARG 123 -10.754 -3.649 13.774 974 HD2 ARG 123 HD2 ARG 123 -12.562 -2.529 14.965 975 HD3 ARG 123 HD3 ARG 123 -12.413 -3.646 16.324 976 HE ARG 123 HE ARG 123 -9.953 -2.527 16.196 977 HH11 ARG 123 HH11 ARG 123 -13.100 -1.080 16.273 978 HH12 ARG 123 HH12 ARG 123 -12.564 0.267 17.208 979 HH21 ARG 123 HH21 ARG 123 -9.314 -0.807 17.415 980 HH22 ARG 123 HH22 ARG 123 -10.454 0.417 17.850 981 H ARG 124 H ARG 124 -13.456 -5.789 11.211 982 HA ARG 124 HA ARG 124 -15.331 -7.849 11.871 983 HB2 ARG 124 HB2 ARG 124 -15.128 -6.276 9.260 984 HB3 ARG 124 HB3 ARG 124 -16.541 -7.152 9.854 985 HG2 ARG 124 HG2 ARG 124 -16.664 -5.549 11.780 986 HG3 ARG 124 HG3 ARG 124 -15.314 -4.654 11.071 987 HD2 ARG 124 HD2 ARG 124 -16.718 -4.338 8.996 988 HD3 ARG 124 HD3 ARG 124 -18.077 -5.054 9.874 989 HE ARG 124 HE ARG 124 -16.865 -2.814 11.231 990 HH11 ARG 124 HH11 ARG 124 -19.274 -3.678 8.882 991 HH12 ARG 124 HH12 ARG 124 -20.119 -2.180 9.059 992 HH21 ARG 124 HH21 ARG 124 -17.941 -0.925 11.410 993 HH22 ARG 124 HH22 ARG 124 -19.365 -0.625 10.475 994 H THR 125 H THR 125 -12.733 -7.626 9.452 995 HA THR 125 HA THR 125 -13.429 -10.168 8.194 996 HB THR 125 HB THR 125 -12.618 -8.304 6.761 997 HG1 THR 125 HG1 THR 125 -10.924 -10.608 6.823 998 HG21 THR 125 HG21 THR 125 -10.940 -7.281 8.276 999 HG22 THR 125 HG22 THR 125 -10.234 -7.677 6.710 1000 HG23 THR 125 HG23 THR 125 -9.913 -8.708 8.106 1001 H CYS 126 H CYS 126 -11.045 -8.898 10.441 1002 HA CYS 126 HA CYS 126 -9.500 -9.776 11.818 1003 HB2 CYS 126 HB2 CYS 126 -11.415 -11.155 12.570 1004 HB3 CYS 126 HB3 CYS 126 -10.993 -12.386 11.393 1005 HG CYS 126 HG CYS 126 -10.113 -12.281 14.452 1006 H GLY 127 H GLY 127 -7.798 -11.756 12.050 1007 HA2 GLY 127 HA2 GLY 127 -6.191 -11.616 9.613 1008 HA3 GLY 127 HA3 GLY 127 -5.672 -12.166 11.195 1009 H PHE 128 H PHE 128 -8.529 -13.498 9.600 1010 HA PHE 128 HA PHE 128 -7.439 -16.185 9.556 1011 HB2 PHE 128 HB2 PHE 128 -10.101 -15.068 8.586 1012 HB3 PHE 128 HB3 PHE 128 -9.693 -16.780 8.588 1013 HD1 PHE 128 HD2 PHE 128 -8.852 -17.704 10.968 1014 HD2 PHE 128 HD1 PHE 128 -11.335 -14.263 10.427 1015 HE1 PHE 128 HE2 PHE 128 -9.680 -17.936 13.273 1016 HE2 PHE 128 HE1 PHE 128 -12.161 -14.505 12.732 1017 HZ PHE 128 HZ PHE 128 -11.338 -16.340 14.157 1018 H LEU 129 H LEU 129 -7.379 -13.573 7.362 1019 HA LEU 129 HA LEU 129 -7.461 -15.120 4.880 1020 HB2 LEU 129 HB2 LEU 129 -6.798 -12.174 5.251 1021 HB3 LEU 129 HB3 LEU 129 -7.290 -12.973 3.762 1022 HG LEU 129 HG LEU 129 -9.029 -12.372 6.194 1023 HD11 LEU 129 HD11 LEU 129 -9.186 -11.370 3.335 1024 HD12 LEU 129 HD12 LEU 129 -8.623 -10.458 4.739 1025 HD13 LEU 129 HD13 LEU 129 -10.305 -10.971 4.644 1026 HD21 LEU 129 HD21 LEU 129 -9.705 -14.564 5.360 1027 HD22 LEU 129 HD22 LEU 129 -9.821 -13.943 3.712 1028 HD23 LEU 129 HD23 LEU 129 -10.931 -13.362 4.958 1029 H GLU 130 H GLU 130 -5.227 -15.535 6.864 1030 HA GLU 130 HA GLU 130 -2.840 -14.300 5.953 1031 HB2 GLU 130 HB2 GLU 130 -1.723 -15.984 7.472 1032 HB3 GLU 130 HB3 GLU 130 -2.950 -14.989 8.227 1033 HG2 GLU 130 HG2 GLU 130 -3.219 -17.170 9.131 1034 HG3 GLU 130 HG3 GLU 130 -4.557 -16.931 8.006 1035 H HIS 131 H HIS 131 -4.478 -17.233 4.981 1036 HA HIS 131 HA HIS 131 -4.322 -18.571 3.177 1037 HB2 HIS 131 HB2 HIS 131 -4.114 -16.311 2.043 1038 HB3 HIS 131 HB3 HIS 131 -2.373 -16.544 2.033 1039 HD1 HIS 131 HD1 HIS 131 -1.848 -16.876 -0.381 1040 HD2 HIS 131 HD2 HIS 131 -5.172 -19.077 0.789 1041 HE1 HIS 131 HE1 HIS 131 -2.509 -18.215 -2.404 1042 HE2 HIS 131 HE2 HIS 131 -4.573 -19.463 -1.701 1043 H HIS 132 H HIS 132 -3.296 -20.068 4.671 1044 HA HIS 132 HA HIS 132 -1.921 -21.754 5.213 1045 HB2 HIS 132 HB2 HIS 132 -0.689 -21.095 2.530 1046 HB3 HIS 132 HB3 HIS 132 0.006 -22.346 3.544 1047 HD1 HIS 132 HD1 HIS 132 -1.984 -22.187 0.728 1048 HD2 HIS 132 HD2 HIS 132 -2.377 -24.200 4.340 1049 HE1 HIS 132 HE1 HIS 132 -3.478 -24.147 0.246 1050 HE2 HIS 132 HE2 HIS 132 -3.825 -25.250 2.479 1051 H HIS 133 H HIS 133 -0.452 -21.890 6.792 1052 HA HIS 133 HA HIS 133 1.608 -19.951 7.320 1053 HB2 HIS 133 HB2 HIS 133 1.039 -22.732 8.438 1054 HB3 HIS 133 HB3 HIS 133 2.389 -21.751 8.995 1055 HD1 HIS 133 HD1 HIS 133 -1.061 -20.321 8.354 1056 HD2 HIS 133 HD2 HIS 133 1.408 -21.319 11.538 1057 HE1 HIS 133 HE1 HIS 133 -2.180 -19.379 10.387 1058 HE2 HIS 133 HE2 HIS 133 -0.587 -19.849 12.267 1059 H HIS 134 H HIS 134 3.894 -21.543 7.925 1060 HA HIS 134 HA HIS 134 5.774 -22.534 7.117 1061 HB2 HIS 134 HB2 HIS 134 4.080 -24.329 6.412 1062 HB3 HIS 134 HB3 HIS 134 4.090 -23.617 4.810 1063 HD1 HIS 134 HD1 HIS 134 6.249 -23.992 3.364 1064 HD2 HIS 134 HD2 HIS 134 6.265 -25.955 7.028 1065 HE1 HIS 134 HE1 HIS 134 8.066 -25.717 3.191 1066 HE2 HIS 134 HE2 HIS 134 8.093 -26.853 5.432 1067 H HIS 135 H HIS 135 4.779 -19.835 6.190 1068 HA HIS 135 HA HIS 135 6.563 -19.440 3.847 1069 HB2 HIS 135 HB2 HIS 135 3.888 -18.057 4.339 1070 HB3 HIS 135 HB3 HIS 135 5.003 -17.666 3.035 1071 HD1 HIS 135 HD1 HIS 135 1.966 -19.315 3.449 1072 HD2 HIS 135 HD2 HIS 135 5.484 -20.330 1.489 1073 HE1 HIS 135 HE1 HIS 135 1.311 -21.038 1.751 1074 HE2 HIS 135 HE2 HIS 135 3.486 -21.778 0.734 1075 H HIS 136 H HIS 136 8.144 -18.969 5.599 1076 HA HIS 136 HA HIS 136 8.524 -16.147 5.831 1077 HB2 HIS 136 HB2 HIS 136 8.634 -15.929 8.298 1078 HB3 HIS 136 HB3 HIS 136 7.021 -16.389 7.783 1079 HD1 HIS 136 HD1 HIS 136 9.726 -17.380 10.020 1080 HD2 HIS 136 HD2 HIS 136 6.386 -19.195 8.352 1081 HE1 HIS 136 HE1 HIS 136 9.332 -19.428 11.402 1082 HE2 HIS 136 HE2 HIS 136 7.343 -20.537 10.351 Start of MODEL 20 1 H1 MET 1 H1 MET 1 1.080 24.997 -6.656 2 H2 MET 1 H2 MET 1 1.260 24.524 -5.043 3 H3 MET 1 H3 MET 1 0.039 25.610 -5.470 4 HA MET 1 HA MET 1 -0.824 23.388 -5.063 5 HB2 MET 1 HB2 MET 1 -0.981 24.301 -7.969 6 HB3 MET 1 HB3 MET 1 -2.094 23.168 -7.214 7 HG2 MET 1 HG2 MET 1 -2.866 24.919 -5.687 8 HG3 MET 1 HG3 MET 1 -1.731 26.063 -6.409 9 HE1 MET 1 HE1 MET 1 -5.241 27.333 -7.691 10 HE2 MET 1 HE2 MET 1 -3.784 27.760 -6.794 11 HE3 MET 1 HE3 MET 1 -4.924 26.589 -6.123 12 H LYS 2 H LYS 2 0.103 21.402 -4.789 13 HA LYS 2 HA LYS 2 1.590 20.112 -7.012 14 HB2 LYS 2 HB2 LYS 2 3.406 19.462 -5.530 15 HB3 LYS 2 HB3 LYS 2 3.225 21.210 -5.460 16 HG2 LYS 2 HG2 LYS 2 2.125 21.065 -3.282 17 HG3 LYS 2 HG3 LYS 2 2.104 19.300 -3.370 18 HD2 LYS 2 HD2 LYS 2 4.640 19.359 -3.423 19 HD3 LYS 2 HD3 LYS 2 4.550 21.096 -3.114 20 HE2 LYS 2 HE2 LYS 2 3.447 18.929 -1.285 21 HE3 LYS 2 HE3 LYS 2 4.978 19.771 -1.054 22 HZ1 LYS 2 HZ1 LYS 2 2.273 20.999 -1.001 23 HZ2 LYS 2 HZ2 LYS 2 3.725 21.850 -0.860 24 HZ3 LYS 2 HZ3 LYS 2 3.288 20.732 0.330 25 H LYS 3 H LYS 3 -1.106 19.760 -5.577 26 HA LYS 3 HA LYS 3 -2.491 18.291 -4.570 27 HB2 LYS 3 HB2 LYS 3 -1.081 16.615 -6.238 28 HB3 LYS 3 HB3 LYS 3 -0.772 15.867 -4.673 29 HG2 LYS 3 HG2 LYS 3 -3.199 15.741 -4.258 30 HG3 LYS 3 HG3 LYS 3 -3.510 16.475 -5.834 31 HD2 LYS 3 HD2 LYS 3 -2.121 13.815 -5.364 32 HD3 LYS 3 HD3 LYS 3 -3.812 14.021 -5.824 33 HE2 LYS 3 HE2 LYS 3 -1.434 14.908 -7.502 34 HE3 LYS 3 HE3 LYS 3 -2.356 13.425 -7.752 35 HZ1 LYS 3 HZ1 LYS 3 -3.353 16.209 -8.024 36 HZ2 LYS 3 HZ2 LYS 3 -4.345 14.842 -8.093 37 HZ3 LYS 3 HZ3 LYS 3 -3.137 15.067 -9.257 38 H GLU 4 H GLU 4 -2.598 16.633 -2.668 39 HA GLU 4 HA GLU 4 -0.871 17.691 -0.502 40 HB2 GLU 4 HB2 GLU 4 -3.201 18.454 -0.403 41 HB3 GLU 4 HB3 GLU 4 -3.785 16.793 -0.466 42 HG2 GLU 4 HG2 GLU 4 -2.790 16.338 1.714 43 HG3 GLU 4 HG3 GLU 4 -2.110 17.966 1.765 44 H LYS 5 H LYS 5 0.193 16.230 0.801 45 HA LYS 5 HA LYS 5 0.091 13.379 0.184 46 HB2 LYS 5 HB2 LYS 5 2.255 14.582 0.665 47 HB3 LYS 5 HB3 LYS 5 1.712 14.846 2.318 48 HG2 LYS 5 HG2 LYS 5 1.479 12.226 2.398 49 HG3 LYS 5 HG3 LYS 5 2.504 12.259 0.964 50 HD2 LYS 5 HD2 LYS 5 3.873 11.889 2.941 51 HD3 LYS 5 HD3 LYS 5 4.247 13.479 2.269 52 HE2 LYS 5 HE2 LYS 5 2.933 14.574 4.005 53 HE3 LYS 5 HE3 LYS 5 2.342 13.022 4.600 54 HZ1 LYS 5 HZ1 LYS 5 4.597 12.451 5.234 55 HZ2 LYS 5 HZ2 LYS 5 4.100 13.885 5.977 56 HZ3 LYS 5 HZ3 LYS 5 5.158 13.946 4.664 57 H ILE 6 H ILE 6 -0.806 11.816 1.489 58 HA ILE 6 HA ILE 6 -1.983 12.514 4.106 59 HB ILE 6 HB ILE 6 -3.973 11.176 3.675 60 HG12 ILE 6 HG12 ILE 6 -2.792 10.571 0.922 61 HG13 ILE 6 HG13 ILE 6 -3.059 9.417 2.229 62 HG21 ILE 6 HG21 ILE 6 -5.118 12.541 1.961 63 HG22 ILE 6 HG22 ILE 6 -3.558 13.112 1.364 64 HG23 ILE 6 HG23 ILE 6 -4.090 13.544 2.989 65 HD11 ILE 6 HD11 ILE 6 -4.719 9.173 0.486 66 HD12 ILE 6 HD12 ILE 6 -5.211 10.856 0.670 67 HD13 ILE 6 HD13 ILE 6 -5.478 9.707 1.985 68 H HIS 7 H HIS 7 -2.462 10.485 5.403 69 HA HIS 7 HA HIS 7 -0.682 8.227 4.922 70 HB2 HIS 7 HB2 HIS 7 0.198 8.350 7.331 71 HB3 HIS 7 HB3 HIS 7 0.856 9.518 6.198 72 HD1 HIS 7 HD1 HIS 7 -1.409 9.281 9.191 73 HD2 HIS 7 HD2 HIS 7 0.390 12.187 6.820 74 HE1 HIS 7 HE1 HIS 7 -1.762 11.446 10.404 75 HE2 HIS 7 HE2 HIS 7 -0.768 13.202 8.901 76 H LEU 8 H LEU 8 -1.949 6.516 5.086 77 HA LEU 8 HA LEU 8 -4.360 6.557 6.770 78 HB2 LEU 8 HB2 LEU 8 -3.586 4.606 4.552 79 HB3 LEU 8 HB3 LEU 8 -5.123 4.654 5.394 80 HG LEU 8 HG LEU 8 -5.566 5.614 3.298 81 HD11 LEU 8 HD11 LEU 8 -6.179 7.935 3.702 82 HD12 LEU 8 HD12 LEU 8 -5.141 7.977 5.130 83 HD13 LEU 8 HD13 LEU 8 -6.550 6.915 5.093 84 HD21 LEU 8 HD21 LEU 8 -3.082 7.332 3.504 85 HD22 LEU 8 HD22 LEU 8 -4.253 7.349 2.183 86 HD23 LEU 8 HD23 LEU 8 -3.291 5.904 2.485 87 H GLU 9 H GLU 9 -4.249 5.496 8.688 88 HA GLU 9 HA GLU 9 -2.141 3.456 9.131 89 HB2 GLU 9 HB2 GLU 9 -3.228 5.574 11.037 90 HB3 GLU 9 HB3 GLU 9 -2.096 4.300 11.503 91 HG2 GLU 9 HG2 GLU 9 -0.372 5.173 10.083 92 HG3 GLU 9 HG3 GLU 9 -1.483 6.280 9.280 93 H TYR 10 H TYR 10 -2.856 1.508 9.505 94 HA TYR 10 HA TYR 10 -5.660 0.988 10.299 95 HB2 TYR 10 HB2 TYR 10 -3.816 -0.965 8.854 96 HB3 TYR 10 HB3 TYR 10 -5.567 -1.007 8.960 97 HD1 TYR 10 HD2 TYR 10 -2.704 0.784 7.400 98 HD2 TYR 10 HD1 TYR 10 -6.914 0.085 7.239 99 HE1 TYR 10 HE2 TYR 10 -2.792 1.871 5.216 100 HE2 TYR 10 HE1 TYR 10 -6.995 1.180 5.036 101 HH TYR 10 HH TYR 10 -4.197 1.872 3.224 102 H LEU 11 H LEU 11 -5.960 -0.075 12.252 103 HA LEU 11 HA LEU 11 -3.695 -1.386 13.562 104 HB2 LEU 11 HB2 LEU 11 -5.641 -1.849 15.362 105 HB3 LEU 11 HB3 LEU 11 -4.725 -0.360 15.297 106 HG LEU 11 HG LEU 11 -6.629 0.707 14.042 107 HD11 LEU 11 HD11 LEU 11 -8.841 -0.346 14.059 108 HD12 LEU 11 HD12 LEU 11 -8.134 -1.834 14.694 109 HD13 LEU 11 HD13 LEU 11 -7.691 -1.262 13.084 110 HD21 LEU 11 HD21 LEU 11 -7.347 -0.414 16.774 111 HD22 LEU 11 HD22 LEU 11 -8.069 1.008 16.013 112 HD23 LEU 11 HD23 LEU 11 -6.367 1.023 16.471 113 H LEU 12 H LEU 12 -3.202 -3.270 12.633 114 HA LEU 12 HA LEU 12 -5.285 -5.372 12.438 115 HB2 LEU 12 HB2 LEU 12 -2.715 -4.898 10.907 116 HB3 LEU 12 HB3 LEU 12 -3.426 -6.506 10.967 117 HG LEU 12 HG LEU 12 -4.897 -4.041 9.930 118 HD11 LEU 12 HD11 LEU 12 -3.569 -6.246 8.328 119 HD12 LEU 12 HD12 LEU 12 -3.012 -4.575 8.457 120 HD13 LEU 12 HD13 LEU 12 -4.554 -4.929 7.683 121 HD21 LEU 12 HD21 LEU 12 -6.390 -5.769 10.826 122 HD22 LEU 12 HD22 LEU 12 -5.616 -6.996 9.822 123 HD23 LEU 12 HD23 LEU 12 -6.531 -5.686 9.069 124 H ASN 13 H ASN 13 -4.452 -7.596 12.856 125 HA ASN 13 HA ASN 13 -2.794 -7.656 15.300 126 HB2 ASN 13 HB2 ASN 13 -5.239 -8.385 15.400 127 HB3 ASN 13 HB3 ASN 13 -4.823 -9.722 14.333 128 HD21 ASN 13 HD21 ASN 13 -5.566 -11.131 15.988 129 HD22 ASN 13 HD22 ASN 13 -4.594 -11.479 17.369 130 H ALA 14 H ALA 14 -1.429 -9.648 15.607 131 HA ALA 14 HA ALA 14 0.350 -10.197 13.497 132 HB1 ALA 14 HB1 ALA 14 1.319 -11.928 14.955 133 HB2 ALA 14 HB2 ALA 14 -0.107 -11.870 15.995 134 HB3 ALA 14 HB3 ALA 14 0.954 -10.467 15.874 135 H THR 15 H THR 15 -2.675 -11.745 14.294 136 HA THR 15 HA THR 15 -2.556 -14.187 12.932 137 HB THR 15 HB THR 15 -5.039 -13.946 12.605 138 HG1 THR 15 HG1 THR 15 -5.953 -12.033 12.689 139 HG21 THR 15 HG21 THR 15 -4.070 -13.070 15.356 140 HG22 THR 15 HG22 THR 15 -4.220 -14.739 14.795 141 HG23 THR 15 HG23 THR 15 -5.662 -13.743 14.993 142 H SER 16 H SER 16 -2.942 -10.922 11.643 143 HA SER 16 HA SER 16 -2.625 -11.917 8.861 144 HB2 SER 16 HB2 SER 16 -3.544 -9.184 9.875 145 HB3 SER 16 HB3 SER 16 -3.406 -9.649 8.178 146 HG SER 16 HG SER 16 -4.873 -11.508 9.192 147 H LYS 17 H LYS 17 -0.402 -12.290 8.942 148 HA LYS 17 HA LYS 17 1.458 -10.395 10.065 149 HB2 LYS 17 HB2 LYS 17 3.190 -11.990 9.637 150 HB3 LYS 17 HB3 LYS 17 1.792 -12.885 10.209 151 HG2 LYS 17 HG2 LYS 17 2.495 -12.650 7.264 152 HG3 LYS 17 HG3 LYS 17 3.140 -13.922 8.302 153 HD2 LYS 17 HD2 LYS 17 0.844 -14.735 8.748 154 HD3 LYS 17 HD3 LYS 17 0.179 -13.443 7.741 155 HE2 LYS 17 HE2 LYS 17 1.314 -14.384 5.769 156 HE3 LYS 17 HE3 LYS 17 2.040 -15.644 6.768 157 HZ1 LYS 17 HZ1 LYS 17 -0.130 -16.531 7.211 158 HZ2 LYS 17 HZ2 LYS 17 0.100 -16.406 5.538 159 HZ3 LYS 17 HZ3 LYS 17 -0.872 -15.281 6.346 160 H ASN 18 H ASN 18 3.634 -10.294 8.566 161 HA ASN 18 HA ASN 18 3.337 -8.001 7.111 162 HB2 ASN 18 HB2 ASN 18 5.656 -8.342 6.344 163 HB3 ASN 18 HB3 ASN 18 5.465 -8.748 8.044 164 HD21 ASN 18 HD21 ASN 18 7.517 -9.611 6.136 165 HD22 ASN 18 HD22 ASN 18 7.474 -11.335 6.139 166 H ILE 19 H ILE 19 3.003 -11.223 5.796 167 HA ILE 19 HA ILE 19 3.565 -10.902 3.097 168 HB ILE 19 HB ILE 19 1.535 -12.746 4.407 169 HG12 ILE 19 HG12 ILE 19 3.822 -13.011 5.313 170 HG13 ILE 19 HG13 ILE 19 3.388 -14.429 4.364 171 HG21 ILE 19 HG21 ILE 19 2.766 -13.005 1.638 172 HG22 ILE 19 HG22 ILE 19 1.069 -12.693 2.004 173 HG23 ILE 19 HG23 ILE 19 1.793 -14.243 2.439 174 HD11 ILE 19 HD11 ILE 19 5.686 -13.782 3.971 175 HD12 ILE 19 HD12 ILE 19 5.181 -12.167 3.479 176 HD13 ILE 19 HD13 ILE 19 4.739 -13.568 2.500 177 H LEU 20 H LEU 20 0.763 -9.711 4.784 178 HA LEU 20 HA LEU 20 -1.279 -9.402 2.998 179 HB2 LEU 20 HB2 LEU 20 -0.147 -7.237 4.814 180 HB3 LEU 20 HB3 LEU 20 -1.753 -7.184 4.102 181 HG LEU 20 HG LEU 20 -0.881 -9.362 6.031 182 HD11 LEU 20 HD11 LEU 20 -0.662 -7.178 7.140 183 HD12 LEU 20 HD12 LEU 20 -1.998 -8.114 7.809 184 HD13 LEU 20 HD13 LEU 20 -2.329 -6.780 6.702 185 HD21 LEU 20 HD21 LEU 20 -3.296 -9.735 6.318 186 HD22 LEU 20 HD22 LEU 20 -2.824 -9.943 4.635 187 HD23 LEU 20 HD23 LEU 20 -3.650 -8.466 5.140 188 H TRP 21 H TRP 21 1.220 -6.906 3.424 189 HA TRP 21 HA TRP 21 0.837 -5.899 0.691 190 HB2 TRP 21 HB2 TRP 21 1.987 -4.643 3.195 191 HB3 TRP 21 HB3 TRP 21 2.136 -3.898 1.608 192 HD1 TRP 21 HD1 TRP 21 -0.538 -4.725 4.273 193 HE1 TRP 21 HE1 TRP 21 -2.596 -3.250 3.822 194 HE3 TRP 21 HE3 TRP 21 0.839 -2.741 -0.230 195 HZ2 TRP 21 HZ2 TRP 21 -3.529 -1.487 1.828 196 HZ3 TRP 21 HZ3 TRP 21 -0.688 -1.164 -1.347 197 HH2 TRP 21 HH2 TRP 21 -2.822 -0.547 -0.340 198 H SER 22 H SER 22 3.141 -7.729 2.550 199 HA SER 22 HA SER 22 5.493 -7.095 1.063 200 HB2 SER 22 HB2 SER 22 5.589 -8.406 3.176 201 HB3 SER 22 HB3 SER 22 4.790 -9.762 2.386 202 HG SER 22 HG SER 22 6.587 -9.976 1.035 203 H ALA 23 H ALA 23 2.663 -8.832 0.200 204 HA ALA 23 HA ALA 23 3.487 -10.459 -1.941 205 HB1 ALA 23 HB1 ALA 23 1.129 -10.356 -2.641 206 HB2 ALA 23 HB2 ALA 23 0.865 -8.978 -1.569 207 HB3 ALA 23 HB3 ALA 23 1.260 -10.558 -0.890 208 H ILE 24 H ILE 24 3.003 -6.949 -1.803 209 HA ILE 24 HA ILE 24 2.586 -6.519 -4.610 210 HB ILE 24 HB ILE 24 2.641 -4.155 -4.180 211 HG12 ILE 24 HG12 ILE 24 4.113 -4.846 -1.614 212 HG13 ILE 24 HG13 ILE 24 4.656 -3.812 -2.923 213 HG21 ILE 24 HG21 ILE 24 1.002 -3.915 -2.354 214 HG22 ILE 24 HG22 ILE 24 1.411 -5.525 -1.760 215 HG23 ILE 24 HG23 ILE 24 0.647 -5.336 -3.340 216 HD11 ILE 24 HD11 ILE 24 4.119 -2.486 -1.029 217 HD12 ILE 24 HD12 ILE 24 2.531 -3.226 -0.882 218 HD13 ILE 24 HD13 ILE 24 2.895 -2.178 -2.260 219 H SER 25 H SER 25 5.427 -7.009 -2.744 220 HA SER 25 HA SER 25 7.380 -5.696 -4.363 221 HB2 SER 25 HB2 SER 25 7.865 -6.379 -2.049 222 HB3 SER 25 HB3 SER 25 7.667 -8.075 -2.478 223 HG SER 25 HG SER 25 9.659 -6.291 -3.436 224 H THR 26 H THR 26 5.893 -8.904 -4.455 225 HA THR 26 HA THR 26 7.534 -9.741 -6.757 226 HB THR 26 HB THR 26 6.341 -11.968 -6.484 227 HG1 THR 26 HG1 THR 26 5.376 -12.092 -4.224 228 HG21 THR 26 HG21 THR 26 8.570 -11.668 -5.519 229 HG22 THR 26 HG22 THR 26 7.575 -12.646 -4.435 230 HG23 THR 26 HG23 THR 26 7.874 -10.946 -4.063 231 HA PRO 27 HA PRO 27 4.406 -8.780 -9.855 232 HB2 PRO 27 HB2 PRO 27 4.848 -11.053 -11.485 233 HB3 PRO 27 HB3 PRO 27 5.733 -9.528 -11.581 234 HG2 PRO 27 HG2 PRO 27 6.463 -12.059 -10.099 235 HG3 PRO 27 HG3 PRO 27 7.497 -11.009 -11.099 236 HD2 PRO 27 HD2 PRO 27 7.624 -10.858 -8.464 237 HD3 PRO 27 HD3 PRO 27 7.619 -9.352 -9.412 238 H THR 28 H THR 28 4.515 -12.321 -9.134 239 HA THR 28 HA THR 28 1.827 -12.904 -9.671 240 HB THR 28 HB THR 28 3.406 -14.710 -9.617 241 HG1 THR 28 HG1 THR 28 1.231 -15.178 -8.908 242 HG21 THR 28 HG21 THR 28 4.504 -15.523 -7.545 243 HG22 THR 28 HG22 THR 28 3.839 -14.153 -6.654 244 HG23 THR 28 HG23 THR 28 5.013 -13.878 -7.943 245 H GLY 29 H GLY 29 3.312 -11.937 -6.566 246 HA2 GLY 29 HA2 GLY 29 0.971 -12.393 -4.950 247 HA3 GLY 29 HA3 GLY 29 2.400 -11.471 -4.492 248 H LEU 30 H LEU 30 2.330 -9.600 -6.614 249 HA LEU 30 HA LEU 30 0.621 -7.580 -5.617 250 HB2 LEU 30 HB2 LEU 30 2.792 -7.180 -6.730 251 HB3 LEU 30 HB3 LEU 30 2.127 -7.751 -8.251 252 HG LEU 30 HG LEU 30 0.644 -5.797 -8.387 253 HD11 LEU 30 HD11 LEU 30 0.226 -5.452 -5.969 254 HD12 LEU 30 HD12 LEU 30 0.704 -3.969 -6.793 255 HD13 LEU 30 HD13 LEU 30 1.870 -4.832 -5.791 256 HD21 LEU 30 HD21 LEU 30 2.910 -5.621 -9.327 257 HD22 LEU 30 HD22 LEU 30 3.512 -4.998 -7.789 258 HD23 LEU 30 HD23 LEU 30 2.346 -4.063 -8.725 259 H GLU 31 H GLU 31 0.487 -9.301 -8.790 260 HA GLU 31 HA GLU 31 -1.925 -8.133 -9.717 261 HB2 GLU 31 HB2 GLU 31 -1.944 -9.899 -11.427 262 HB3 GLU 31 HB3 GLU 31 -0.322 -9.249 -11.225 263 HG2 GLU 31 HG2 GLU 31 0.361 -11.194 -9.931 264 HG3 GLU 31 HG3 GLU 31 -1.281 -11.839 -9.961 265 H ASP 32 H ASP 32 -1.445 -10.646 -7.391 266 HA ASP 32 HA ASP 32 -3.768 -12.200 -7.680 267 HB2 ASP 32 HB2 ASP 32 -1.725 -12.709 -6.251 268 HB3 ASP 32 HB3 ASP 32 -2.324 -11.547 -5.073 269 H TRP 33 H TRP 33 -3.371 -8.971 -6.378 270 HA TRP 33 HA TRP 33 -6.253 -8.734 -5.924 271 HB2 TRP 33 HB2 TRP 33 -6.022 -7.842 -3.653 272 HB3 TRP 33 HB3 TRP 33 -5.359 -9.467 -3.737 273 HD1 TRP 33 HD1 TRP 33 -2.444 -9.367 -4.199 274 HE1 TRP 33 HE1 TRP 33 -0.781 -7.944 -2.852 275 HE3 TRP 33 HE3 TRP 33 -5.695 -5.901 -2.303 276 HZ2 TRP 33 HZ2 TRP 33 -0.839 -5.666 -1.184 277 HZ3 TRP 33 HZ3 TRP 33 -4.810 -4.133 -0.832 278 HH2 TRP 33 HH2 TRP 33 -2.429 -4.023 -0.286 279 H PHE 34 H PHE 34 -3.543 -7.328 -7.275 280 HA PHE 34 HA PHE 34 -4.432 -4.532 -6.822 281 HB2 PHE 34 HB2 PHE 34 -2.070 -4.891 -6.405 282 HB3 PHE 34 HB3 PHE 34 -1.840 -5.643 -7.978 283 HD1 PHE 34 HD2 PHE 34 -2.758 -2.391 -6.351 284 HD2 PHE 34 HD1 PHE 34 -1.172 -4.296 -9.837 285 HE1 PHE 34 HE2 PHE 34 -2.167 -0.199 -7.289 286 HE2 PHE 34 HE1 PHE 34 -0.583 -2.095 -10.763 287 HZ PHE 34 HZ PHE 34 -1.080 -0.045 -9.493 288 H ALA 35 H ALA 35 -3.121 -6.313 -9.649 289 HA ALA 35 HA ALA 35 -5.041 -4.894 -11.430 290 HB1 ALA 35 HB1 ALA 35 -2.687 -4.173 -11.772 291 HB2 ALA 35 HB2 ALA 35 -3.320 -5.004 -13.194 292 HB3 ALA 35 HB3 ALA 35 -2.219 -5.845 -12.095 293 H ASP 36 H ASP 36 -5.239 -6.182 -13.613 294 HA ASP 36 HA ASP 36 -6.271 -8.792 -13.229 295 HB2 ASP 36 HB2 ASP 36 -5.305 -7.454 -15.800 296 HB3 ASP 36 HB3 ASP 36 -6.290 -8.918 -15.725 297 H LYS 37 H LYS 37 -3.155 -7.643 -14.523 298 HA LYS 37 HA LYS 37 -1.807 -10.098 -13.726 299 HB2 LYS 37 HB2 LYS 37 -2.775 -10.354 -16.130 300 HB3 LYS 37 HB3 LYS 37 -1.564 -9.171 -16.618 301 HG2 LYS 37 HG2 LYS 37 0.208 -10.708 -15.763 302 HG3 LYS 37 HG3 LYS 37 -1.050 -11.888 -15.369 303 HD2 LYS 37 HD2 LYS 37 -1.716 -11.815 -17.833 304 HD3 LYS 37 HD3 LYS 37 -0.248 -10.875 -18.123 305 HE2 LYS 37 HE2 LYS 37 0.152 -13.218 -18.646 306 HE3 LYS 37 HE3 LYS 37 1.094 -12.775 -17.223 307 HZ1 LYS 37 HZ1 LYS 37 -1.511 -14.196 -17.177 308 HZ2 LYS 37 HZ2 LYS 37 -0.562 -13.826 -15.830 309 HZ3 LYS 37 HZ3 LYS 37 -0.000 -14.924 -16.987 310 H VAL 38 H VAL 38 0.424 -9.787 -13.450 311 HA VAL 38 HA VAL 38 1.647 -7.186 -14.146 312 HB VAL 38 HB VAL 38 1.720 -8.444 -11.356 313 HG11 VAL 38 HG11 VAL 38 3.241 -6.577 -10.713 314 HG12 VAL 38 HG12 VAL 38 3.336 -6.087 -12.406 315 HG13 VAL 38 HG13 VAL 38 3.976 -7.654 -11.904 316 HG21 VAL 38 HG21 VAL 38 0.780 -6.278 -10.580 317 HG22 VAL 38 HG22 VAL 38 -0.293 -7.061 -11.743 318 HG23 VAL 38 HG23 VAL 38 0.718 -5.707 -12.251 319 H VAL 39 H VAL 39 3.212 -7.821 -15.535 320 HA VAL 39 HA VAL 39 4.984 -10.107 -14.916 321 HB VAL 39 HB VAL 39 4.918 -8.338 -17.414 322 HG11 VAL 39 HG11 VAL 39 6.308 -11.011 -16.946 323 HG12 VAL 39 HG12 VAL 39 7.105 -9.444 -17.106 324 HG13 VAL 39 HG13 VAL 39 6.251 -10.144 -18.483 325 HG21 VAL 39 HG21 VAL 39 3.647 -11.074 -17.001 326 HG22 VAL 39 HG22 VAL 39 3.717 -10.198 -18.532 327 HG23 VAL 39 HG23 VAL 39 2.781 -9.545 -17.185 328 H SER 40 H SER 40 6.820 -9.642 -13.745 329 HA SER 40 HA SER 40 8.042 -6.935 -13.978 330 HB2 SER 40 HB2 SER 40 6.977 -7.179 -11.781 331 HB3 SER 40 HB3 SER 40 7.865 -8.672 -11.482 332 HG SER 40 HG SER 40 9.225 -7.328 -10.573 333 H ASP 41 H ASP 41 10.143 -6.780 -14.320 334 HA ASP 41 HA ASP 41 11.851 -9.057 -14.803 335 HB2 ASP 41 HB2 ASP 41 12.008 -7.093 -16.250 336 HB3 ASP 41 HB3 ASP 41 12.291 -6.036 -14.875 337 H ASP 42 H ASP 42 12.425 -6.174 -12.815 338 HA ASP 42 HA ASP 42 13.069 -7.273 -10.331 339 HB2 ASP 42 HB2 ASP 42 14.964 -8.440 -11.347 340 HB3 ASP 42 HB3 ASP 42 15.464 -6.996 -12.222 341 H LYS 43 H LYS 43 14.636 -5.006 -12.574 342 HA LYS 43 HA LYS 43 14.570 -2.745 -10.778 343 HB2 LYS 43 HB2 LYS 43 15.534 -1.525 -12.742 344 HB3 LYS 43 HB3 LYS 43 16.415 -2.997 -12.347 345 HG2 LYS 43 HG2 LYS 43 15.206 -4.177 -14.194 346 HG3 LYS 43 HG3 LYS 43 14.438 -2.648 -14.635 347 HD2 LYS 43 HD2 LYS 43 17.441 -3.170 -14.631 348 HD3 LYS 43 HD3 LYS 43 16.411 -3.221 -16.063 349 HE2 LYS 43 HE2 LYS 43 15.863 -0.815 -15.730 350 HE3 LYS 43 HE3 LYS 43 16.927 -0.780 -14.320 351 HZ1 LYS 43 HZ1 LYS 43 18.779 -1.329 -15.755 352 HZ2 LYS 43 HZ2 LYS 43 18.012 0.079 -16.288 353 HZ3 LYS 43 HZ3 LYS 43 17.762 -1.382 -17.102 354 H THR 44 H THR 44 12.441 -4.062 -13.178 355 HA THR 44 HA THR 44 10.673 -1.684 -13.136 356 HB THR 44 HB THR 44 11.485 -3.278 -15.609 357 HG1 THR 44 HG1 THR 44 12.955 -1.768 -15.706 358 HG21 THR 44 HG21 THR 44 10.072 -1.699 -16.904 359 HG22 THR 44 HG22 THR 44 9.479 -1.001 -15.396 360 HG23 THR 44 HG23 THR 44 9.103 -2.679 -15.800 361 H VAL 45 H VAL 45 8.534 -2.121 -12.987 362 HA VAL 45 HA VAL 45 7.543 -4.919 -12.980 363 HB VAL 45 HB VAL 45 6.573 -2.583 -11.245 364 HG11 VAL 45 HG11 VAL 45 4.762 -4.179 -11.748 365 HG12 VAL 45 HG12 VAL 45 5.224 -4.275 -10.047 366 HG13 VAL 45 HG13 VAL 45 5.768 -5.515 -11.180 367 HG21 VAL 45 HG21 VAL 45 8.229 -5.001 -10.429 368 HG22 VAL 45 HG22 VAL 45 7.575 -3.787 -9.328 369 HG23 VAL 45 HG23 VAL 45 8.801 -3.333 -10.513 370 H THR 46 H THR 46 6.331 -5.166 -14.831 371 HA THR 46 HA THR 46 4.861 -2.899 -16.008 372 HB THR 46 HB THR 46 5.140 -5.729 -17.141 373 HG1 THR 46 HG1 THR 46 7.182 -4.955 -17.195 374 HG21 THR 46 HG21 THR 46 4.534 -4.661 -19.296 375 HG22 THR 46 HG22 THR 46 4.358 -3.103 -18.483 376 HG23 THR 46 HG23 THR 46 3.247 -4.425 -18.107 377 H PHE 47 H PHE 47 2.823 -2.580 -15.359 378 HA PHE 47 HA PHE 47 1.140 -4.717 -14.247 379 HB2 PHE 47 HB2 PHE 47 0.360 -1.793 -14.592 380 HB3 PHE 47 HB3 PHE 47 -0.285 -2.963 -13.447 381 HD1 PHE 47 HD1 PHE 47 1.188 -3.725 -11.531 382 HD2 PHE 47 HD2 PHE 47 2.210 -0.416 -14.028 383 HE1 PHE 47 HE1 PHE 47 2.730 -2.886 -9.811 384 HE2 PHE 47 HE2 PHE 47 3.748 0.413 -12.304 385 HZ PHE 47 HZ PHE 47 4.012 -0.820 -10.187 386 H CYS 48 H CYS 48 0.173 -5.901 -15.861 387 HA CYS 48 HA CYS 48 -0.902 -4.526 -18.265 388 HB2 CYS 48 HB2 CYS 48 0.702 -6.414 -18.623 389 HB3 CYS 48 HB3 CYS 48 -0.454 -7.509 -17.869 390 HG CYS 48 HG CYS 48 -1.026 -8.123 -20.357 391 H TRP 49 H TRP 49 -2.978 -3.949 -18.017 392 HA TRP 49 HA TRP 49 -4.863 -5.544 -16.448 393 HB2 TRP 49 HB2 TRP 49 -5.138 -2.860 -17.871 394 HB3 TRP 49 HB3 TRP 49 -6.464 -3.649 -17.020 395 HD1 TRP 49 HD1 TRP 49 -6.299 -3.770 -14.312 396 HE1 TRP 49 HE1 TRP 49 -4.982 -2.358 -12.623 397 HE3 TRP 49 HE3 TRP 49 -2.935 -1.610 -17.497 398 HZ2 TRP 49 HZ2 TRP 49 -2.807 -0.570 -12.622 399 HZ3 TRP 49 HZ3 TRP 49 -1.267 -0.063 -16.574 400 HH2 TRP 49 HH2 TRP 49 -1.203 0.450 -14.186 401 H GLY 50 H GLY 50 -4.693 -7.408 -17.858 402 HA2 GLY 50 HA2 GLY 50 -5.655 -8.902 -19.301 403 HA3 GLY 50 HA3 GLY 50 -6.990 -7.774 -19.442 404 H LYS 51 H LYS 51 -3.626 -7.189 -20.436 405 HA LYS 51 HA LYS 51 -2.598 -6.647 -22.376 406 HB2 LYS 51 HB2 LYS 51 -4.773 -8.357 -23.626 407 HB3 LYS 51 HB3 LYS 51 -3.422 -7.701 -24.543 408 HG2 LYS 51 HG2 LYS 51 -1.849 -9.008 -23.151 409 HG3 LYS 51 HG3 LYS 51 -3.212 -9.676 -22.240 410 HD2 LYS 51 HD2 LYS 51 -4.083 -10.739 -24.289 411 HD3 LYS 51 HD3 LYS 51 -2.782 -10.016 -25.241 412 HE2 LYS 51 HE2 LYS 51 -2.398 -12.044 -23.008 413 HE3 LYS 51 HE3 LYS 51 -2.358 -12.402 -24.734 414 HZ1 LYS 51 HZ1 LYS 51 -0.492 -10.602 -23.288 415 HZ2 LYS 51 HZ2 LYS 51 -0.461 -10.899 -24.951 416 HZ3 LYS 51 HZ3 LYS 51 -0.138 -12.153 -23.862 417 H THR 52 H THR 52 -5.456 -5.212 -21.612 418 HA THR 52 HA THR 52 -6.081 -3.920 -24.163 419 HB THR 52 HB THR 52 -7.929 -2.806 -23.000 420 HG1 THR 52 HG1 THR 52 -7.486 -4.032 -20.546 421 HG21 THR 52 HG21 THR 52 -8.316 -5.156 -23.672 422 HG22 THR 52 HG22 THR 52 -9.205 -4.765 -22.199 423 HG23 THR 52 HG23 THR 52 -7.714 -5.706 -22.105 424 H GLU 53 H GLU 53 -4.495 -3.111 -21.139 425 HA GLU 53 HA GLU 53 -3.098 -0.870 -22.275 426 HB2 GLU 53 HB2 GLU 53 -5.192 0.271 -21.620 427 HB3 GLU 53 HB3 GLU 53 -5.093 -0.405 -20.000 428 HG2 GLU 53 HG2 GLU 53 -3.171 0.958 -19.468 429 HG3 GLU 53 HG3 GLU 53 -3.017 1.491 -21.142 430 H GLN 54 H GLN 54 -1.192 -0.481 -21.158 431 HA GLN 54 HA GLN 54 -0.741 -1.657 -18.516 432 HB2 GLN 54 HB2 GLN 54 1.317 -2.847 -19.205 433 HB3 GLN 54 HB3 GLN 54 -0.118 -3.494 -19.987 434 HG2 GLN 54 HG2 GLN 54 0.467 -2.331 -22.073 435 HG3 GLN 54 HG3 GLN 54 1.884 -1.624 -21.296 436 HE21 GLN 54 HE21 GLN 54 3.278 -2.604 -22.812 437 HE22 GLN 54 HE22 GLN 54 3.621 -4.296 -22.780 438 H ARG 55 H ARG 55 0.875 -0.750 -17.307 439 HA ARG 55 HA ARG 55 2.664 1.297 -18.495 440 HB2 ARG 55 HB2 ARG 55 1.323 1.454 -15.754 441 HB3 ARG 55 HB3 ARG 55 2.657 2.479 -16.248 442 HG2 ARG 55 HG2 ARG 55 0.797 3.861 -16.498 443 HG3 ARG 55 HG3 ARG 55 1.097 3.303 -18.145 444 HD2 ARG 55 HD2 ARG 55 -0.782 1.865 -18.112 445 HD3 ARG 55 HD3 ARG 55 -0.876 1.886 -16.348 446 HE ARG 55 HE ARG 55 -1.325 4.459 -17.578 447 HH11 ARG 55 HH11 ARG 55 -2.883 1.521 -16.610 448 HH12 ARG 55 HH12 ARG 55 -4.416 2.284 -16.420 449 HH21 ARG 55 HH21 ARG 55 -3.294 5.386 -17.287 450 HH22 ARG 55 HH22 ARG 55 -4.641 4.432 -16.785 451 H GLN 56 H GLN 56 4.571 1.679 -16.872 452 HA GLN 56 HA GLN 56 5.375 -0.816 -15.471 453 HB2 GLN 56 HB2 GLN 56 7.162 0.951 -17.207 454 HB3 GLN 56 HB3 GLN 56 7.714 -0.417 -16.242 455 HG2 GLN 56 HG2 GLN 56 6.277 -1.922 -17.603 456 HG3 GLN 56 HG3 GLN 56 5.824 -0.547 -18.608 457 HE21 GLN 56 HE21 GLN 56 7.218 -3.059 -19.286 458 HE22 GLN 56 HE22 GLN 56 8.690 -2.575 -20.047 459 H ALA 57 H ALA 57 6.945 -0.493 -13.729 460 HA ALA 57 HA ALA 57 7.357 2.227 -12.700 461 HB1 ALA 57 HB1 ALA 57 6.448 1.741 -10.480 462 HB2 ALA 57 HB2 ALA 57 5.973 0.120 -10.999 463 HB3 ALA 57 HB3 ALA 57 5.195 1.537 -11.707 464 H GLY 58 H GLY 58 9.297 2.475 -11.751 465 HA2 GLY 58 HA2 GLY 58 11.038 0.152 -11.286 466 HA3 GLY 58 HA3 GLY 58 11.516 1.843 -11.322 467 H ILE 59 H ILE 59 11.749 -0.519 -9.304 468 HA ILE 59 HA ILE 59 10.498 0.419 -6.877 469 HB ILE 59 HB ILE 59 12.873 -1.508 -7.135 470 HG12 ILE 59 HG12 ILE 59 11.116 -3.305 -6.567 471 HG13 ILE 59 HG13 ILE 59 9.886 -2.098 -6.902 472 HG21 ILE 59 HG21 ILE 59 12.343 -2.178 -4.799 473 HG22 ILE 59 HG22 ILE 59 11.095 -0.931 -4.729 474 HG23 ILE 59 HG23 ILE 59 12.790 -0.473 -4.910 475 HD11 ILE 59 HD11 ILE 59 10.248 -3.657 -8.748 476 HD12 ILE 59 HD12 ILE 59 11.915 -3.101 -8.891 477 HD13 ILE 59 HD13 ILE 59 10.582 -1.989 -9.211 478 H VAL 60 H VAL 60 11.240 2.082 -5.553 479 HA VAL 60 HA VAL 60 13.871 3.272 -6.236 480 HB VAL 60 HB VAL 60 12.980 5.408 -5.348 481 HG11 VAL 60 HG11 VAL 60 11.431 5.879 -7.232 482 HG12 VAL 60 HG12 VAL 60 11.253 4.147 -7.520 483 HG13 VAL 60 HG13 VAL 60 12.820 4.926 -7.759 484 HG21 VAL 60 HG21 VAL 60 10.330 3.925 -5.040 485 HG22 VAL 60 HG22 VAL 60 10.543 5.670 -4.872 486 HG23 VAL 60 HG23 VAL 60 11.315 4.574 -3.726 487 H ALA 61 H ALA 61 12.014 1.902 -3.601 488 HA ALA 61 HA ALA 61 14.404 1.391 -2.123 489 HB1 ALA 61 HB1 ALA 61 12.473 3.343 -0.805 490 HB2 ALA 61 HB2 ALA 61 14.087 3.736 -1.394 491 HB3 ALA 61 HB3 ALA 61 13.894 2.615 -0.046 492 H ILE 62 H ILE 62 14.143 -0.283 -0.689 493 HA ILE 62 HA ILE 62 11.653 -1.023 0.548 494 HB ILE 62 HB ILE 62 11.201 -2.024 -1.662 495 HG12 ILE 62 HG12 ILE 62 11.870 -4.133 0.453 496 HG13 ILE 62 HG13 ILE 62 10.347 -3.272 0.284 497 HG21 ILE 62 HG21 ILE 62 13.503 -2.246 -2.484 498 HG22 ILE 62 HG22 ILE 62 12.628 -3.767 -2.663 499 HG23 ILE 62 HG23 ILE 62 13.800 -3.571 -1.357 500 HD11 ILE 62 HD11 ILE 62 9.973 -4.420 -1.861 501 HD12 ILE 62 HD12 ILE 62 10.142 -5.532 -0.504 502 HD13 ILE 62 HD13 ILE 62 11.482 -5.308 -1.628 503 H ARG 63 H ARG 63 11.946 -2.561 2.229 504 HA ARG 63 HA ARG 63 14.485 -3.958 2.558 505 HB2 ARG 63 HB2 ARG 63 14.969 -1.800 3.643 506 HB3 ARG 63 HB3 ARG 63 13.539 -1.961 4.659 507 HG2 ARG 63 HG2 ARG 63 14.533 -3.958 5.737 508 HG3 ARG 63 HG3 ARG 63 15.958 -3.802 4.704 509 HD2 ARG 63 HD2 ARG 63 16.412 -1.577 5.721 510 HD3 ARG 63 HD3 ARG 63 15.024 -1.809 6.798 511 HE ARG 63 HE ARG 63 16.366 -3.978 7.408 512 HH11 ARG 63 HH11 ARG 63 17.704 -0.825 6.926 513 HH12 ARG 63 HH12 ARG 63 19.059 -1.146 7.948 514 HH21 ARG 63 HH21 ARG 63 18.092 -4.359 8.673 515 HH22 ARG 63 HH22 ARG 63 19.277 -3.128 8.926 516 H ALA 64 H ALA 64 13.628 -5.933 2.658 517 HA ALA 64 HA ALA 64 12.493 -7.785 3.229 518 HB1 ALA 64 HB1 ALA 64 12.361 -6.490 5.967 519 HB2 ALA 64 HB2 ALA 64 13.716 -7.432 5.340 520 HB3 ALA 64 HB3 ALA 64 12.157 -8.210 5.624 521 H TYR 65 H TYR 65 10.625 -5.791 5.461 522 HA TYR 65 HA TYR 65 8.245 -5.737 3.735 523 HB2 TYR 65 HB2 TYR 65 6.777 -6.638 5.464 524 HB3 TYR 65 HB3 TYR 65 8.059 -7.807 5.172 525 HD1 TYR 65 HD2 TYR 65 9.912 -8.074 6.892 526 HD2 TYR 65 HD1 TYR 65 6.516 -5.592 7.654 527 HE1 TYR 65 HE2 TYR 65 10.436 -8.093 9.294 528 HE2 TYR 65 HE1 TYR 65 7.036 -5.609 10.055 529 HH TYR 65 HH TYR 65 10.005 -6.780 11.307 530 H SER 66 H SER 66 10.298 -4.380 6.107 531 HA SER 66 HA SER 66 8.690 -2.921 7.823 532 HB2 SER 66 HB2 SER 66 11.494 -2.190 6.856 533 HB3 SER 66 HB3 SER 66 10.728 -1.622 8.342 534 HG SER 66 HG SER 66 11.534 -3.343 9.210 535 H PHE 67 H PHE 67 10.167 -1.875 4.766 536 HA PHE 67 HA PHE 67 7.917 -0.092 4.251 537 HB2 PHE 67 HB2 PHE 67 9.346 1.856 3.659 538 HB3 PHE 67 HB3 PHE 67 9.457 1.449 5.363 539 HD1 PHE 67 HD1 PHE 67 11.299 1.484 2.141 540 HD2 PHE 67 HD2 PHE 67 11.566 0.657 6.334 541 HE1 PHE 67 HE1 PHE 67 13.748 1.456 1.980 542 HE2 PHE 67 HE2 PHE 67 14.021 0.650 6.163 543 HZ PHE 67 HZ PHE 67 15.114 1.051 3.991 544 H ILE 68 H ILE 68 7.560 0.335 2.074 545 HA ILE 68 HA ILE 68 9.448 -0.498 0.018 546 HB ILE 68 HB ILE 68 8.290 -2.616 0.416 547 HG12 ILE 68 HG12 ILE 68 7.309 -1.343 -2.188 548 HG13 ILE 68 HG13 ILE 68 8.912 -2.026 -1.937 549 HG21 ILE 68 HG21 ILE 68 6.229 -1.812 1.453 550 HG22 ILE 68 HG22 ILE 68 5.837 -2.875 0.100 551 HG23 ILE 68 HG23 ILE 68 5.688 -1.125 -0.082 552 HD11 ILE 68 HD11 ILE 68 7.935 -4.234 -1.652 553 HD12 ILE 68 HD12 ILE 68 7.457 -3.514 -3.190 554 HD13 ILE 68 HD13 ILE 68 6.319 -3.555 -1.846 555 H ARG 69 H ARG 69 9.203 0.673 -1.885 556 HA ARG 69 HA ARG 69 6.757 2.058 -2.517 557 HB2 ARG 69 HB2 ARG 69 7.914 4.356 -2.693 558 HB3 ARG 69 HB3 ARG 69 7.421 3.809 -1.105 559 HG2 ARG 69 HG2 ARG 69 10.286 3.457 -2.032 560 HG3 ARG 69 HG3 ARG 69 9.725 4.999 -1.392 561 HD2 ARG 69 HD2 ARG 69 8.880 3.489 0.631 562 HD3 ARG 69 HD3 ARG 69 10.097 2.367 0.027 563 HE ARG 69 HE ARG 69 11.617 4.471 0.247 564 HH11 ARG 69 HH11 ARG 69 9.130 3.561 2.488 565 HH12 ARG 69 HH12 ARG 69 9.919 4.351 3.803 566 HH21 ARG 69 HH21 ARG 69 12.581 5.440 1.975 567 HH22 ARG 69 HH22 ARG 69 11.828 5.377 3.524 568 H PHE 70 H PHE 70 6.506 2.527 -4.586 569 HA PHE 70 HA PHE 70 8.681 1.983 -6.538 570 HB2 PHE 70 HB2 PHE 70 5.652 1.800 -6.926 571 HB3 PHE 70 HB3 PHE 70 6.861 1.436 -8.148 572 HD1 PHE 70 HD2 PHE 70 5.463 0.286 -4.875 573 HD2 PHE 70 HD1 PHE 70 7.810 -0.759 -8.300 574 HE1 PHE 70 HE2 PHE 70 5.436 -2.072 -4.182 575 HE2 PHE 70 HE1 PHE 70 7.764 -3.117 -7.596 576 HZ PHE 70 HZ PHE 70 6.578 -3.776 -5.543 577 H HIS 71 H HIS 71 8.567 3.299 -8.536 578 HA HIS 71 HA HIS 71 6.788 5.645 -8.547 579 HB2 HIS 71 HB2 HIS 71 9.781 5.689 -9.048 580 HB3 HIS 71 HB3 HIS 71 8.738 6.860 -9.848 581 HD1 HIS 71 HD1 HIS 71 10.927 7.634 -7.773 582 HD2 HIS 71 HD2 HIS 71 6.887 7.212 -6.935 583 HE1 HIS 71 HE1 HIS 71 10.502 9.108 -5.788 584 HE2 HIS 71 HE2 HIS 71 8.015 9.031 -5.490 585 H TRP 72 H TRP 72 5.598 5.731 -10.324 586 HA TRP 72 HA TRP 72 5.745 3.704 -12.330 587 HB2 TRP 72 HB2 TRP 72 4.004 6.199 -12.123 588 HB3 TRP 72 HB3 TRP 72 3.832 4.999 -13.402 589 HD1 TRP 72 HD1 TRP 72 3.950 4.794 -9.487 590 HE1 TRP 72 HE1 TRP 72 2.083 3.218 -8.726 591 HE3 TRP 72 HE3 TRP 72 2.023 3.525 -14.058 592 HZ2 TRP 72 HZ2 TRP 72 0.057 1.640 -9.874 593 HZ3 TRP 72 HZ3 TRP 72 0.107 1.973 -14.134 594 HH2 TRP 72 HH2 TRP 72 -0.856 1.048 -12.082 595 H LEU 73 H LEU 73 7.134 3.651 -13.958 596 HA LEU 73 HA LEU 73 8.719 5.815 -14.904 597 HB2 LEU 73 HB2 LEU 73 8.159 3.155 -16.277 598 HB3 LEU 73 HB3 LEU 73 9.523 4.224 -16.585 599 HG LEU 73 HG LEU 73 9.024 2.656 -14.017 600 HD11 LEU 73 HD11 LEU 73 11.006 1.355 -14.635 601 HD12 LEU 73 HD12 LEU 73 11.143 2.252 -16.150 602 HD13 LEU 73 HD13 LEU 73 9.742 1.217 -15.857 603 HD21 LEU 73 HD21 LEU 73 11.355 4.486 -14.701 604 HD22 LEU 73 HD22 LEU 73 11.233 3.455 -13.271 605 HD23 LEU 73 HD23 LEU 73 10.105 4.788 -13.490 606 H ASP 74 H ASP 74 5.677 4.408 -15.975 607 HA ASP 74 HA ASP 74 5.422 6.212 -18.282 608 HB2 ASP 74 HB2 ASP 74 3.657 3.972 -17.212 609 HB3 ASP 74 HB3 ASP 74 3.258 4.936 -18.636 610 H ASP 75 H ASP 75 5.485 7.339 -15.558 611 HA ASP 75 HA ASP 75 2.982 8.334 -14.745 612 HB2 ASP 75 HB2 ASP 75 4.923 8.578 -13.309 613 HB3 ASP 75 HB3 ASP 75 5.783 9.514 -14.531 614 H GLU 76 H GLU 76 1.877 10.251 -15.230 615 HA GLU 76 HA GLU 76 2.421 11.458 -17.894 616 HB2 GLU 76 HB2 GLU 76 -0.066 11.811 -18.002 617 HB3 GLU 76 HB3 GLU 76 0.404 10.117 -17.936 618 HG2 GLU 76 HG2 GLU 76 -0.164 10.073 -15.516 619 HG3 GLU 76 HG3 GLU 76 -0.677 11.759 -15.619 620 H ASN 77 H ASN 77 3.676 12.450 -15.605 621 HA ASN 77 HA ASN 77 4.289 14.349 -14.594 622 HB2 ASN 77 HB2 ASN 77 3.816 15.458 -16.802 623 HB3 ASN 77 HB3 ASN 77 2.188 15.818 -16.247 624 HD21 ASN 77 HD21 ASN 77 5.583 16.560 -15.827 625 HD22 ASN 77 HD22 ASN 77 5.350 18.038 -14.966 626 H GLU 78 H GLU 78 3.068 12.875 -13.004 627 HA GLU 78 HA GLU 78 1.519 14.714 -11.256 628 HB2 GLU 78 HB2 GLU 78 1.190 11.690 -11.566 629 HB3 GLU 78 HB3 GLU 78 0.518 12.593 -10.213 630 HG2 GLU 78 HG2 GLU 78 -0.200 13.068 -13.126 631 HG3 GLU 78 HG3 GLU 78 -1.131 12.058 -12.021 632 H ARG 79 H ARG 79 2.158 14.626 -9.008 633 HA ARG 79 HA ARG 79 4.841 13.647 -8.482 634 HB2 ARG 79 HB2 ARG 79 2.832 15.072 -6.697 635 HB3 ARG 79 HB3 ARG 79 4.403 14.516 -6.120 636 HG2 ARG 79 HG2 ARG 79 5.479 15.927 -7.915 637 HG3 ARG 79 HG3 ARG 79 3.882 16.588 -8.279 638 HD2 ARG 79 HD2 ARG 79 3.722 17.522 -6.035 639 HD3 ARG 79 HD3 ARG 79 5.250 16.756 -5.571 640 HE ARG 79 HE ARG 79 5.310 18.627 -7.824 641 HH11 ARG 79 HH11 ARG 79 6.036 18.103 -4.489 642 HH12 ARG 79 HH12 ARG 79 7.050 19.495 -4.391 643 HH21 ARG 79 HH21 ARG 79 6.623 20.369 -7.683 644 HH22 ARG 79 HH22 ARG 79 7.373 20.775 -6.182 645 H ASP 80 H ASP 80 4.392 11.448 -8.971 646 HA ASP 80 HA ASP 80 2.745 9.820 -7.291 647 HB2 ASP 80 HB2 ASP 80 3.119 9.154 -9.602 648 HB3 ASP 80 HB3 ASP 80 4.869 9.133 -9.364 649 H TYR 81 H TYR 81 3.251 8.860 -5.441 650 HA TYR 81 HA TYR 81 5.731 7.658 -4.834 651 HB2 TYR 81 HB2 TYR 81 6.400 9.989 -4.222 652 HB3 TYR 81 HB3 TYR 81 5.053 10.079 -3.091 653 HD1 TYR 81 HD1 TYR 81 8.088 7.953 -3.812 654 HD2 TYR 81 HD2 TYR 81 5.499 9.552 -0.803 655 HE1 TYR 81 HE1 TYR 81 9.551 7.033 -2.065 656 HE2 TYR 81 HE2 TYR 81 6.966 8.632 0.939 657 HH TYR 81 HH TYR 81 10.084 7.432 0.295 658 H PHE 82 H PHE 82 4.094 5.992 -4.811 659 HA PHE 82 HA PHE 82 2.279 5.930 -2.507 660 HB2 PHE 82 HB2 PHE 82 1.597 5.126 -4.830 661 HB3 PHE 82 HB3 PHE 82 2.710 3.777 -4.627 662 HD1 PHE 82 HD1 PHE 82 0.075 5.413 -2.478 663 HD2 PHE 82 HD2 PHE 82 1.558 1.771 -4.173 664 HE1 PHE 82 HE1 PHE 82 -1.728 4.162 -1.381 665 HE2 PHE 82 HE2 PHE 82 -0.251 0.529 -3.057 666 HZ PHE 82 HZ PHE 82 -1.894 1.721 -1.663 667 H GLU 83 H GLU 83 3.189 5.426 -0.625 668 HA GLU 83 HA GLU 83 5.437 3.491 -0.437 669 HB2 GLU 83 HB2 GLU 83 5.721 6.055 0.087 670 HB3 GLU 83 HB3 GLU 83 4.828 5.712 1.556 671 HG2 GLU 83 HG2 GLU 83 7.457 4.444 0.766 672 HG3 GLU 83 HG3 GLU 83 7.290 5.821 1.845 673 H ILE 84 H ILE 84 5.158 1.764 0.909 674 HA ILE 84 HA ILE 84 2.897 1.708 2.810 675 HB ILE 84 HB ILE 84 3.909 -0.674 1.184 676 HG12 ILE 84 HG12 ILE 84 1.412 -0.573 0.310 677 HG13 ILE 84 HG13 ILE 84 1.467 1.104 0.815 678 HG21 ILE 84 HG21 ILE 84 2.001 -1.896 2.208 679 HG22 ILE 84 HG22 ILE 84 1.653 -0.491 3.214 680 HG23 ILE 84 HG23 ILE 84 3.177 -1.361 3.408 681 HD11 ILE 84 HD11 ILE 84 3.283 1.508 -0.752 682 HD12 ILE 84 HD12 ILE 84 1.875 0.815 -1.556 683 HD13 ILE 84 HD13 ILE 84 3.277 -0.194 -1.212 684 H LYS 85 H LYS 85 3.809 1.854 4.748 685 HA LYS 85 HA LYS 85 6.215 0.283 5.439 686 HB2 LYS 85 HB2 LYS 85 6.234 2.813 5.653 687 HB3 LYS 85 HB3 LYS 85 4.962 2.687 6.853 688 HG2 LYS 85 HG2 LYS 85 7.631 1.315 7.266 689 HG3 LYS 85 HG3 LYS 85 7.438 3.029 7.612 690 HD2 LYS 85 HD2 LYS 85 5.912 0.741 8.931 691 HD3 LYS 85 HD3 LYS 85 7.199 1.706 9.664 692 HE2 LYS 85 HE2 LYS 85 4.428 2.652 8.852 693 HE3 LYS 85 HE3 LYS 85 5.071 2.512 10.489 694 HZ1 LYS 85 HZ1 LYS 85 5.081 4.804 9.711 695 HZ2 LYS 85 HZ2 LYS 85 6.067 4.387 8.403 696 HZ3 LYS 85 HZ3 LYS 85 6.655 4.259 9.983 697 H MET 86 H MET 86 5.927 -1.446 6.836 698 HA MET 86 HA MET 86 3.598 -1.468 8.639 699 HB2 MET 86 HB2 MET 86 3.237 -3.920 8.246 700 HB3 MET 86 HB3 MET 86 2.779 -2.905 6.902 701 HG2 MET 86 HG2 MET 86 5.143 -3.528 5.962 702 HG3 MET 86 HG3 MET 86 5.030 -4.872 7.097 703 HE1 MET 86 HE1 MET 86 1.519 -4.853 6.723 704 HE2 MET 86 HE2 MET 86 2.472 -6.282 7.132 705 HE3 MET 86 HE3 MET 86 1.430 -6.290 5.707 706 H SER 87 H SER 87 4.110 -1.928 10.642 707 HA SER 87 HA SER 87 6.759 -3.110 11.268 708 HB2 SER 87 HB2 SER 87 5.444 -0.723 12.649 709 HB3 SER 87 HB3 SER 87 6.945 -1.493 13.170 710 HG SER 87 HG SER 87 7.210 -0.920 10.598 711 H TYR 88 H TYR 88 6.894 -4.327 13.173 712 HA TYR 88 HA TYR 88 4.313 -5.483 14.059 713 HB2 TYR 88 HB2 TYR 88 5.766 -7.045 12.835 714 HB3 TYR 88 HB3 TYR 88 7.111 -6.690 13.913 715 HD1 TYR 88 HD1 TYR 88 3.668 -8.178 13.848 716 HD2 TYR 88 HD2 TYR 88 7.407 -7.991 15.919 717 HE1 TYR 88 HE1 TYR 88 2.954 -10.014 15.312 718 HE2 TYR 88 HE2 TYR 88 6.685 -9.828 17.378 719 HH TYR 88 HH TYR 88 4.001 -11.775 16.720 720 H ASN 89 H ASN 89 3.721 -4.906 16.075 721 HA ASN 89 HA ASN 89 5.546 -4.010 18.120 722 HB2 ASN 89 HB2 ASN 89 2.570 -4.650 18.160 723 HB3 ASN 89 HB3 ASN 89 3.454 -4.141 19.600 724 HD21 ASN 89 HD21 ASN 89 2.117 -3.111 16.558 725 HD22 ASN 89 HD22 ASN 89 2.359 -1.425 16.803 726 H GLU 90 H GLU 90 6.728 -5.289 19.388 727 HA GLU 90 HA GLU 90 6.897 -8.058 18.810 728 HB2 GLU 90 HB2 GLU 90 8.841 -6.583 19.271 729 HB3 GLU 90 HB3 GLU 90 8.322 -6.429 20.946 730 HG2 GLU 90 HG2 GLU 90 8.701 -8.849 21.285 731 HG3 GLU 90 HG3 GLU 90 9.217 -9.002 19.605 732 H LEU 91 H LEU 91 5.374 -6.370 21.523 733 HA LEU 91 HA LEU 91 5.228 -8.845 23.130 734 HB2 LEU 91 HB2 LEU 91 4.591 -5.976 23.913 735 HB3 LEU 91 HB3 LEU 91 4.525 -7.363 24.994 736 HG LEU 91 HG LEU 91 7.013 -6.159 23.714 737 HD11 LEU 91 HD11 LEU 91 6.174 -4.917 25.646 738 HD12 LEU 91 HD12 LEU 91 7.698 -5.710 26.032 739 HD13 LEU 91 HD13 LEU 91 6.178 -6.387 26.627 740 HD21 LEU 91 HD21 LEU 91 7.279 -8.582 23.695 741 HD22 LEU 91 HD22 LEU 91 6.814 -8.683 25.395 742 HD23 LEU 91 HD23 LEU 91 8.317 -7.878 24.935 743 H THR 92 H THR 92 3.080 -6.635 21.369 744 HA THR 92 HA THR 92 0.702 -8.006 22.514 745 HB THR 92 HB THR 92 0.663 -5.576 22.854 746 HG1 THR 92 HG1 THR 92 -1.329 -6.081 20.917 747 HG21 THR 92 HG21 THR 92 0.347 -4.004 20.981 748 HG22 THR 92 HG22 THR 92 0.583 -5.318 19.824 749 HG23 THR 92 HG23 THR 92 1.913 -4.810 20.871 750 H GLY 93 H GLY 93 2.380 -7.436 19.500 751 HA2 GLY 93 HA2 GLY 93 2.298 -9.030 17.745 752 HA3 GLY 93 HA3 GLY 93 0.655 -9.452 18.192 753 H ASP 94 H ASP 94 0.148 -6.388 18.281 754 HA ASP 94 HA ASP 94 -1.188 -6.214 15.829 755 HB2 ASP 94 HB2 ASP 94 -0.424 -4.027 17.810 756 HB3 ASP 94 HB3 ASP 94 -1.511 -3.771 16.441 757 H TYR 95 H TYR 95 -0.843 -5.108 13.932 758 HA TYR 95 HA TYR 95 1.893 -4.223 13.283 759 HB2 TYR 95 HB2 TYR 95 -0.433 -5.246 11.655 760 HB3 TYR 95 HB3 TYR 95 0.673 -4.133 10.863 761 HD1 TYR 95 HD1 TYR 95 0.501 -7.457 12.590 762 HD2 TYR 95 HD2 TYR 95 2.800 -4.869 10.070 763 HE1 TYR 95 HE1 TYR 95 2.041 -9.305 12.082 764 HE2 TYR 95 HE2 TYR 95 4.334 -6.709 9.558 765 HH TYR 95 HH TYR 95 5.048 -8.885 10.647 766 H VAL 96 H VAL 96 2.352 -2.065 13.224 767 HA VAL 96 HA VAL 96 0.287 -0.060 12.748 768 HB VAL 96 HB VAL 96 3.320 0.337 12.749 769 HG11 VAL 96 HG11 VAL 96 2.767 2.752 13.073 770 HG12 VAL 96 HG12 VAL 96 1.048 2.375 12.947 771 HG13 VAL 96 HG13 VAL 96 2.104 2.141 11.551 772 HG21 VAL 96 HG21 VAL 96 3.064 1.184 15.071 773 HG22 VAL 96 HG22 VAL 96 2.598 -0.514 14.949 774 HG23 VAL 96 HG23 VAL 96 1.356 0.738 15.048 775 H LEU 97 H LEU 97 -0.555 -0.432 10.765 776 HA LEU 97 HA LEU 97 1.183 -0.694 8.397 777 HB2 LEU 97 HB2 LEU 97 -0.737 -2.268 8.813 778 HB3 LEU 97 HB3 LEU 97 -1.842 -0.921 8.660 779 HG LEU 97 HG LEU 97 -1.204 -0.615 6.304 780 HD11 LEU 97 HD11 LEU 97 1.136 -1.307 6.389 781 HD12 LEU 97 HD12 LEU 97 0.270 -2.201 5.143 782 HD13 LEU 97 HD13 LEU 97 0.657 -2.984 6.678 783 HD21 LEU 97 HD21 LEU 97 -3.066 -2.124 6.827 784 HD22 LEU 97 HD22 LEU 97 -1.952 -3.491 6.936 785 HD23 LEU 97 HD23 LEU 97 -2.199 -2.671 5.392 786 H GLU 98 H GLU 98 1.649 1.120 7.294 787 HA GLU 98 HA GLU 98 -0.048 3.525 7.566 788 HB2 GLU 98 HB2 GLU 98 1.872 3.538 9.244 789 HB3 GLU 98 HB3 GLU 98 2.992 3.532 7.885 790 HG2 GLU 98 HG2 GLU 98 1.918 5.695 7.110 791 HG3 GLU 98 HG3 GLU 98 1.002 5.692 8.621 792 H ILE 99 H ILE 99 -0.695 3.754 5.505 793 HA ILE 99 HA ILE 99 1.179 3.459 3.257 794 HB ILE 99 HB ILE 99 -1.849 3.476 3.477 795 HG12 ILE 99 HG12 ILE 99 -1.662 1.422 2.044 796 HG13 ILE 99 HG13 ILE 99 0.080 1.636 1.977 797 HG21 ILE 99 HG21 ILE 99 -2.094 3.618 1.009 798 HG22 ILE 99 HG22 ILE 99 -0.380 4.014 0.875 799 HG23 ILE 99 HG23 ILE 99 -1.474 5.117 1.709 800 HD11 ILE 99 HD11 ILE 99 -1.526 1.014 4.448 801 HD12 ILE 99 HD12 ILE 99 0.228 1.188 4.365 802 HD13 ILE 99 HD13 ILE 99 -0.569 -0.125 3.503 803 H THR 100 H THR 100 2.277 5.242 2.699 804 HA THR 100 HA THR 100 1.184 7.935 3.045 805 HB THR 100 HB THR 100 3.885 6.965 2.038 806 HG1 THR 100 HG1 THR 100 3.461 6.735 4.306 807 HG21 THR 100 HG21 THR 100 3.387 9.115 0.963 808 HG22 THR 100 HG22 THR 100 4.636 9.324 2.191 809 HG23 THR 100 HG23 THR 100 2.976 9.826 2.527 810 H ASP 101 H ASP 101 -0.349 8.313 1.571 811 HA ASP 101 HA ASP 101 0.098 7.754 -1.307 812 HB2 ASP 101 HB2 ASP 101 -1.780 6.471 -0.298 813 HB3 ASP 101 HB3 ASP 101 -2.510 7.967 0.276 814 H PHE 102 H PHE 102 -0.996 9.399 -2.759 815 HA PHE 102 HA PHE 102 -0.936 12.149 -1.636 816 HB2 PHE 102 HB2 PHE 102 -0.173 12.910 -3.905 817 HB3 PHE 102 HB3 PHE 102 0.975 11.844 -3.111 818 HD1 PHE 102 HD1 PHE 102 0.958 9.322 -3.829 819 HD2 PHE 102 HD2 PHE 102 -0.865 12.426 -6.140 820 HE1 PHE 102 HE1 PHE 102 1.008 7.875 -5.827 821 HE2 PHE 102 HE2 PHE 102 -0.813 10.975 -8.129 822 HZ PHE 102 HZ PHE 102 0.118 8.698 -7.974 823 H SER 103 H SER 103 -2.860 13.131 -1.636 824 HA SER 103 HA SER 103 -4.764 12.960 -3.795 825 HB2 SER 103 HB2 SER 103 -5.473 11.875 -1.026 826 HB3 SER 103 HB3 SER 103 -6.676 12.303 -2.244 827 HG SER 103 HG SER 103 -4.770 10.215 -2.285 828 H GLU 104 H GLU 104 -5.471 14.954 -4.058 829 HA GLU 104 HA GLU 104 -4.950 17.153 -2.325 830 HB2 GLU 104 HB2 GLU 104 -6.360 18.420 -4.015 831 HB3 GLU 104 HB3 GLU 104 -5.038 17.476 -4.705 832 HG2 GLU 104 HG2 GLU 104 -6.773 15.630 -5.138 833 HG3 GLU 104 HG3 GLU 104 -8.003 16.841 -4.765 834 H ALA 105 H ALA 105 -6.523 18.593 -1.323 835 HA ALA 105 HA ALA 105 -7.936 17.410 0.698 836 HB1 ALA 105 HB1 ALA 105 -8.439 20.191 -0.400 837 HB2 ALA 105 HB2 ALA 105 -7.147 19.739 0.715 838 HB3 ALA 105 HB3 ALA 105 -8.831 19.627 1.228 839 H ASP 106 H ASP 106 -9.405 18.630 -2.319 840 HA ASP 106 HA ASP 106 -12.126 18.311 -1.745 841 HB2 ASP 106 HB2 ASP 106 -10.639 18.105 -4.393 842 HB3 ASP 106 HB3 ASP 106 -12.399 18.144 -4.268 843 H GLU 107 H GLU 107 -9.773 15.899 -2.770 844 HA GLU 107 HA GLU 107 -11.861 13.806 -3.053 845 HB2 GLU 107 HB2 GLU 107 -9.017 13.812 -4.173 846 HB3 GLU 107 HB3 GLU 107 -10.255 12.593 -4.476 847 HG2 GLU 107 HG2 GLU 107 -10.230 15.476 -5.428 848 HG3 GLU 107 HG3 GLU 107 -10.073 14.024 -6.415 849 H ALA 108 H ALA 108 -9.404 14.895 -0.993 850 HA ALA 108 HA ALA 108 -8.166 12.490 -0.132 851 HB1 ALA 108 HB1 ALA 108 -7.308 13.821 1.747 852 HB2 ALA 108 HB2 ALA 108 -8.440 15.125 1.366 853 HB3 ALA 108 HB3 ALA 108 -7.157 14.706 0.229 854 H ASP 109 H ASP 109 -11.008 14.286 1.100 855 HA ASP 109 HA ASP 109 -11.499 12.746 3.418 856 HB2 ASP 109 HB2 ASP 109 -13.498 14.235 1.674 857 HB3 ASP 109 HB3 ASP 109 -13.815 13.653 3.308 858 H ASP 110 H ASP 110 -12.426 12.195 0.056 859 HA ASP 110 HA ASP 110 -14.182 9.987 0.464 860 HB2 ASP 110 HB2 ASP 110 -14.140 11.312 -1.627 861 HB3 ASP 110 HB3 ASP 110 -12.513 10.734 -1.974 862 H LEU 111 H LEU 111 -10.680 10.166 -0.263 863 HA LEU 111 HA LEU 111 -10.085 7.405 -0.094 864 HB2 LEU 111 HB2 LEU 111 -8.479 9.938 0.149 865 HB3 LEU 111 HB3 LEU 111 -7.725 8.473 0.730 866 HG LEU 111 HG LEU 111 -6.999 8.950 -1.550 867 HD11 LEU 111 HD11 LEU 111 -7.471 6.802 -2.614 868 HD12 LEU 111 HD12 LEU 111 -8.810 6.521 -1.497 869 HD13 LEU 111 HD13 LEU 111 -7.155 6.602 -0.888 870 HD21 LEU 111 HD21 LEU 111 -8.936 10.231 -2.336 871 HD22 LEU 111 HD22 LEU 111 -9.912 8.761 -2.385 872 HD23 LEU 111 HD23 LEU 111 -8.526 8.941 -3.466 873 H LYS 112 H LYS 112 -10.175 9.909 2.451 874 HA LYS 112 HA LYS 112 -9.147 8.406 4.596 875 HB2 LYS 112 HB2 LYS 112 -11.120 10.733 4.680 876 HB3 LYS 112 HB3 LYS 112 -10.316 10.063 6.097 877 HG2 LYS 112 HG2 LYS 112 -8.959 11.442 3.762 878 HG3 LYS 112 HG3 LYS 112 -9.239 12.132 5.360 879 HD2 LYS 112 HD2 LYS 112 -7.726 10.460 6.364 880 HD3 LYS 112 HD3 LYS 112 -7.488 9.702 4.785 881 HE2 LYS 112 HE2 LYS 112 -5.585 11.136 5.338 882 HE3 LYS 112 HE3 LYS 112 -6.449 11.788 3.948 883 HZ1 LYS 112 HZ1 LYS 112 -5.879 13.545 5.440 884 HZ2 LYS 112 HZ2 LYS 112 -6.611 12.763 6.748 885 HZ3 LYS 112 HZ3 LYS 112 -7.557 13.344 5.475 886 H GLU 113 H GLU 113 -12.538 8.975 3.609 887 HA GLU 113 HA GLU 113 -13.785 7.444 5.621 888 HB2 GLU 113 HB2 GLU 113 -15.011 9.123 4.291 889 HB3 GLU 113 HB3 GLU 113 -14.810 8.151 2.840 890 HG2 GLU 113 HG2 GLU 113 -17.066 7.883 3.659 891 HG3 GLU 113 HG3 GLU 113 -16.205 6.363 3.862 892 H LEU 114 H LEU 114 -12.679 6.539 2.345 893 HA LEU 114 HA LEU 114 -13.764 3.970 2.101 894 HB2 LEU 114 HB2 LEU 114 -12.628 5.132 0.252 895 HB3 LEU 114 HB3 LEU 114 -11.089 5.020 1.089 896 HG LEU 114 HG LEU 114 -11.196 2.508 0.859 897 HD11 LEU 114 HD11 LEU 114 -13.604 2.197 0.665 898 HD12 LEU 114 HD12 LEU 114 -12.776 1.485 -0.717 899 HD13 LEU 114 HD13 LEU 114 -13.615 3.030 -0.894 900 HD21 LEU 114 HD21 LEU 114 -9.872 3.834 -0.720 901 HD22 LEU 114 HD22 LEU 114 -11.282 4.031 -1.765 902 HD23 LEU 114 HD23 LEU 114 -10.582 2.430 -1.519 903 H TRP 115 H TRP 115 -10.578 4.869 3.395 904 HA TRP 115 HA TRP 115 -9.886 2.169 4.153 905 HB2 TRP 115 HB2 TRP 115 -8.451 4.791 4.718 906 HB3 TRP 115 HB3 TRP 115 -7.786 3.184 5.002 907 HD1 TRP 115 HD1 TRP 115 -7.767 5.821 2.439 908 HE1 TRP 115 HE1 TRP 115 -6.878 4.944 0.203 909 HE3 TRP 115 HE3 TRP 115 -8.046 0.782 3.340 910 HZ2 TRP 115 HZ2 TRP 115 -6.363 2.482 -1.033 911 HZ3 TRP 115 HZ3 TRP 115 -7.332 -0.770 1.560 912 HH2 TRP 115 HH2 TRP 115 -6.505 0.066 -0.588 913 H ASP 116 H ASP 116 -10.756 5.122 5.972 914 HA ASP 116 HA ASP 116 -10.235 4.213 8.585 915 HB2 ASP 116 HB2 ASP 116 -10.554 6.624 7.905 916 HB3 ASP 116 HB3 ASP 116 -12.279 6.328 7.776 917 H SER 117 H SER 117 -13.248 4.155 6.684 918 HA SER 117 HA SER 117 -15.029 3.186 8.632 919 HB2 SER 117 HB2 SER 117 -15.727 4.033 6.396 920 HB3 SER 117 HB3 SER 117 -15.071 2.578 5.649 921 HG SER 117 HG SER 117 -16.618 1.367 6.707 922 H GLN 118 H GLN 118 -12.747 1.466 6.569 923 HA GLN 118 HA GLN 118 -13.497 -1.175 7.449 924 HB2 GLN 118 HB2 GLN 118 -11.102 -0.174 5.871 925 HB3 GLN 118 HB3 GLN 118 -11.427 -1.878 6.199 926 HG2 GLN 118 HG2 GLN 118 -13.249 0.002 4.662 927 HG3 GLN 118 HG3 GLN 118 -12.184 -1.211 3.954 928 HE21 GLN 118 HE21 GLN 118 -12.747 -3.414 4.136 929 HE22 GLN 118 HE22 GLN 118 -14.326 -3.922 4.612 930 H VAL 119 H VAL 119 -11.017 1.184 8.424 931 HA VAL 119 HA VAL 119 -9.501 -0.466 10.158 932 HB VAL 119 HB VAL 119 -9.988 2.546 10.371 933 HG11 VAL 119 HG11 VAL 119 -9.122 1.658 12.502 934 HG12 VAL 119 HG12 VAL 119 -7.887 2.623 11.696 935 HG13 VAL 119 HG13 VAL 119 -7.796 0.861 11.652 936 HG21 VAL 119 HG21 VAL 119 -8.982 1.910 8.209 937 HG22 VAL 119 HG22 VAL 119 -7.703 1.033 9.045 938 HG23 VAL 119 HG23 VAL 119 -7.818 2.788 9.202 939 H SER 120 H SER 120 -12.448 1.440 10.701 940 HA SER 120 HA SER 120 -12.993 0.961 13.389 941 HB2 SER 120 HB2 SER 120 -14.401 2.439 12.033 942 HB3 SER 120 HB3 SER 120 -14.947 1.082 11.054 943 HG SER 120 HG SER 120 -15.631 1.781 13.689 944 H LYS 121 H LYS 121 -13.735 -1.136 10.586 945 HA LYS 121 HA LYS 121 -14.858 -3.276 12.145 946 HB2 LYS 121 HB2 LYS 121 -14.144 -2.971 9.230 947 HB3 LYS 121 HB3 LYS 121 -14.446 -4.582 9.860 948 HG2 LYS 121 HG2 LYS 121 -16.471 -3.716 8.846 949 HG3 LYS 121 HG3 LYS 121 -16.707 -3.896 10.586 950 HD2 LYS 121 HD2 LYS 121 -16.321 -1.434 10.856 951 HD3 LYS 121 HD3 LYS 121 -16.167 -1.288 9.102 952 HE2 LYS 121 HE2 LYS 121 -18.646 -2.179 10.623 953 HE3 LYS 121 HE3 LYS 121 -18.413 -0.624 9.826 954 HZ1 LYS 121 HZ1 LYS 121 -19.716 -2.000 8.418 955 HZ2 LYS 121 HZ2 LYS 121 -18.623 -3.285 8.525 956 HZ3 LYS 121 HZ3 LYS 121 -18.186 -1.871 7.709 957 H LEU 122 H LEU 122 -11.573 -2.569 10.978 958 HA LEU 122 HA LEU 122 -10.384 -5.113 11.391 959 HB2 LEU 122 HB2 LEU 122 -9.078 -2.375 11.635 960 HB3 LEU 122 HB3 LEU 122 -8.204 -3.898 11.558 961 HG LEU 122 HG LEU 122 -9.841 -2.627 9.338 962 HD11 LEU 122 HD11 LEU 122 -6.858 -3.120 9.564 963 HD12 LEU 122 HD12 LEU 122 -7.677 -1.563 9.709 964 HD13 LEU 122 HD13 LEU 122 -7.697 -2.424 8.170 965 HD21 LEU 122 HD21 LEU 122 -8.401 -5.301 9.293 966 HD22 LEU 122 HD22 LEU 122 -9.129 -4.502 7.898 967 HD23 LEU 122 HD23 LEU 122 -10.148 -5.050 9.225 968 H ARG 123 H ARG 123 -10.875 -2.361 13.560 969 HA ARG 123 HA ARG 123 -9.664 -3.219 15.904 970 HB2 ARG 123 HB2 ARG 123 -10.849 -0.992 15.295 971 HB3 ARG 123 HB3 ARG 123 -12.341 -1.763 15.802 972 HG2 ARG 123 HG2 ARG 123 -9.937 -1.479 17.631 973 HG3 ARG 123 HG3 ARG 123 -11.163 -0.222 17.481 974 HD2 ARG 123 HD2 ARG 123 -12.882 -1.806 18.284 975 HD3 ARG 123 HD3 ARG 123 -11.656 -3.073 18.408 976 HE ARG 123 HE ARG 123 -11.112 -0.658 19.919 977 HH11 ARG 123 HH11 ARG 123 -12.397 -3.874 20.060 978 HH12 ARG 123 HH12 ARG 123 -12.310 -3.933 21.782 979 HH21 ARG 123 HH21 ARG 123 -11.000 -0.779 22.084 980 HH22 ARG 123 HH22 ARG 123 -11.528 -2.199 22.912 981 H ARG 124 H ARG 124 -12.765 -4.199 14.533 982 HA ARG 124 HA ARG 124 -13.693 -5.645 16.879 983 HB2 ARG 124 HB2 ARG 124 -14.921 -5.789 14.097 984 HB3 ARG 124 HB3 ARG 124 -15.718 -6.012 15.656 985 HG2 ARG 124 HG2 ARG 124 -15.423 -3.602 16.143 986 HG3 ARG 124 HG3 ARG 124 -14.610 -3.392 14.588 987 HD2 ARG 124 HD2 ARG 124 -16.790 -4.287 13.531 988 HD3 ARG 124 HD3 ARG 124 -17.527 -4.019 15.119 989 HE ARG 124 HE ARG 124 -16.111 -1.748 13.968 990 HH11 ARG 124 HH11 ARG 124 -19.197 -3.209 14.529 991 HH12 ARG 124 HH12 ARG 124 -20.066 -1.819 13.988 992 HH21 ARG 124 HH21 ARG 124 -17.242 -0.006 13.272 993 HH22 ARG 124 HH22 ARG 124 -18.969 -0.028 13.287 994 H THR 125 H THR 125 -12.841 -6.588 13.514 995 HA THR 125 HA THR 125 -12.994 -9.416 13.995 996 HB THR 125 HB THR 125 -13.562 -8.444 11.777 997 HG1 THR 125 HG1 THR 125 -11.344 -10.179 11.377 998 HG21 THR 125 HG21 THR 125 -11.793 -7.779 10.190 999 HG22 THR 125 HG22 THR 125 -10.569 -7.976 11.447 1000 HG23 THR 125 HG23 THR 125 -11.795 -6.714 11.596 1001 H CYS 126 H CYS 126 -10.509 -7.118 14.415 1002 HA CYS 126 HA CYS 126 -8.369 -7.137 15.075 1003 HB2 CYS 126 HB2 CYS 126 -8.525 -10.163 15.158 1004 HB3 CYS 126 HB3 CYS 126 -7.211 -9.189 15.816 1005 HG CYS 126 HG CYS 126 -10.325 -9.696 17.028 1006 H GLY 127 H GLY 127 -8.902 -9.633 12.614 1007 HA2 GLY 127 HA2 GLY 127 -7.376 -8.200 10.637 1008 HA3 GLY 127 HA3 GLY 127 -6.533 -9.639 11.208 1009 H PHE 128 H PHE 128 -6.804 -10.003 8.794 1010 HA PHE 128 HA PHE 128 -7.363 -11.573 7.288 1011 HB2 PHE 128 HB2 PHE 128 -7.731 -13.066 9.266 1012 HB3 PHE 128 HB3 PHE 128 -9.421 -12.584 9.303 1013 HD1 PHE 128 HD2 PHE 128 -6.906 -14.063 6.909 1014 HD2 PHE 128 HD1 PHE 128 -10.974 -14.009 8.247 1015 HE1 PHE 128 HE2 PHE 128 -7.450 -15.890 5.355 1016 HE2 PHE 128 HE1 PHE 128 -11.506 -15.833 6.682 1017 HZ PHE 128 HZ PHE 128 -9.746 -16.774 5.235 1018 H LEU 129 H LEU 129 -9.177 -8.988 7.904 1019 HA LEU 129 HA LEU 129 -11.632 -9.496 6.524 1020 HB2 LEU 129 HB2 LEU 129 -11.419 -7.691 8.196 1021 HB3 LEU 129 HB3 LEU 129 -10.249 -6.867 7.182 1022 HG LEU 129 HG LEU 129 -12.014 -6.463 5.465 1023 HD11 LEU 129 HD11 LEU 129 -14.386 -6.875 5.967 1024 HD12 LEU 129 HD12 LEU 129 -13.933 -7.721 7.448 1025 HD13 LEU 129 HD13 LEU 129 -13.469 -8.378 5.876 1026 HD21 LEU 129 HD21 LEU 129 -13.271 -4.737 6.684 1027 HD22 LEU 129 HD22 LEU 129 -11.572 -4.730 7.152 1028 HD23 LEU 129 HD23 LEU 129 -12.777 -5.445 8.226 1029 H GLU 130 H GLU 130 -10.975 -10.512 4.564 1030 HA GLU 130 HA GLU 130 -9.849 -8.778 2.441 1031 HB2 GLU 130 HB2 GLU 130 -8.853 -11.044 2.624 1032 HB3 GLU 130 HB3 GLU 130 -10.443 -11.778 2.442 1033 HG2 GLU 130 HG2 GLU 130 -10.571 -10.756 0.137 1034 HG3 GLU 130 HG3 GLU 130 -8.909 -10.204 0.341 1035 H HIS 131 H HIS 131 -11.200 -7.893 0.935 1036 HA HIS 131 HA HIS 131 -13.734 -9.023 0.154 1037 HB2 HIS 131 HB2 HIS 131 -14.199 -7.891 2.424 1038 HB3 HIS 131 HB3 HIS 131 -13.889 -6.352 1.638 1039 HD1 HIS 131 HD1 HIS 131 -16.619 -8.125 2.758 1040 HD2 HIS 131 HD2 HIS 131 -15.792 -6.405 -0.937 1041 HE1 HIS 131 HE1 HIS 131 -18.852 -7.770 1.665 1042 HE2 HIS 131 HE2 HIS 131 -18.333 -6.609 -0.503 1043 H HIS 132 H HIS 132 -11.702 -6.095 0.241 1044 HA HIS 132 HA HIS 132 -12.853 -5.115 -2.300 1045 HB2 HIS 132 HB2 HIS 132 -12.984 -3.600 -0.379 1046 HB3 HIS 132 HB3 HIS 132 -11.247 -3.699 -0.137 1047 HD1 HIS 132 HD1 HIS 132 -9.878 -1.956 -1.273 1048 HD2 HIS 132 HD2 HIS 132 -13.715 -2.178 -2.844 1049 HE1 HIS 132 HE1 HIS 132 -10.080 0.008 -2.818 1050 HE2 HIS 132 HE2 HIS 132 -12.487 -0.016 -3.544 1051 H HIS 133 H HIS 133 -11.731 -5.579 -4.083 1052 HA HIS 133 HA HIS 133 -8.966 -6.200 -4.290 1053 HB2 HIS 133 HB2 HIS 133 -10.895 -6.741 -5.925 1054 HB3 HIS 133 HB3 HIS 133 -10.726 -5.101 -6.531 1055 HD1 HIS 133 HD1 HIS 133 -8.766 -4.658 -8.134 1056 HD2 HIS 133 HD2 HIS 133 -8.782 -8.510 -6.585 1057 HE1 HIS 133 HE1 HIS 133 -7.143 -5.944 -9.537 1058 HE2 HIS 133 HE2 HIS 133 -7.091 -8.228 -8.520 1059 H HIS 134 H HIS 134 -7.190 -4.844 -4.835 1060 HA HIS 134 HA HIS 134 -7.255 -2.241 -3.779 1061 HB2 HIS 134 HB2 HIS 134 -5.231 -3.736 -3.814 1062 HB3 HIS 134 HB3 HIS 134 -5.047 -3.392 -5.529 1063 HD1 HIS 134 HD1 HIS 134 -3.977 -2.215 -2.280 1064 HD2 HIS 134 HD2 HIS 134 -4.588 -0.456 -5.995 1065 HE1 HIS 134 HE1 HIS 134 -2.779 -0.013 -2.192 1066 HE2 HIS 134 HE2 HIS 134 -3.328 1.104 -4.369 1067 H HIS 135 H HIS 135 -8.676 -0.909 -4.816 1068 HA HIS 135 HA HIS 135 -7.426 0.610 -6.966 1069 HB2 HIS 135 HB2 HIS 135 -9.733 1.013 -8.040 1070 HB3 HIS 135 HB3 HIS 135 -8.987 -0.548 -8.346 1071 HD1 HIS 135 HD1 HIS 135 -10.270 -2.600 -7.671 1072 HD2 HIS 135 HD2 HIS 135 -11.998 0.883 -6.228 1073 HE1 HIS 135 HE1 HIS 135 -12.496 -3.293 -6.760 1074 HE2 HIS 135 HE2 HIS 135 -13.613 -1.134 -6.140 1075 H HIS 136 H HIS 136 -7.533 2.786 -6.555 1076 HA HIS 136 HA HIS 136 -7.403 4.567 -5.177 1077 HB2 HIS 136 HB2 HIS 136 -10.273 3.765 -4.609 1078 HB3 HIS 136 HB3 HIS 136 -9.555 5.236 -3.956 1079 HD1 HIS 136 HD1 HIS 136 -11.052 3.830 -7.039 1080 HD2 HIS 136 HD2 HIS 136 -8.932 7.218 -5.926 1081 HE1 HIS 136 HE1 HIS 136 -11.337 5.441 -8.929 1082 HE2 HIS 136 HE2 HIS 136 -10.246 7.554 -8.124
Contact the webmaster for help, if required. Saturday, June 15, 2024 10:18:12 PM GMT (wattos1)