NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536670 | 2lli | 18049 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -19.404 13.482 -2.116 2 H2 LYS 1 H2 LYS 1 -18.982 11.890 -2.131 3 H3 LYS 1 H3 LYS 1 -17.947 12.998 -2.689 4 HA LYS 1 HA LYS 1 -17.191 12.270 -0.582 5 HB2 LYS 1 HB2 LYS 1 -18.282 15.108 -0.424 6 HB3 LYS 1 HB3 LYS 1 -17.127 14.388 0.701 7 HG2 LYS 1 HG2 LYS 1 -15.558 13.988 -1.229 8 HG3 LYS 1 HG3 LYS 1 -16.704 14.820 -2.285 9 HD2 LYS 1 HD2 LYS 1 -15.024 16.388 -1.752 10 HD3 LYS 1 HD3 LYS 1 -16.466 16.877 -0.859 11 HE2 LYS 1 HE2 LYS 1 -15.522 15.831 1.199 12 HE3 LYS 1 HE3 LYS 1 -14.113 15.307 0.281 13 HZ1 LYS 1 HZ1 LYS 1 -14.886 18.139 0.716 14 HZ2 LYS 1 HZ2 LYS 1 -13.676 17.366 1.486 15 HZ3 LYS 1 HZ3 LYS 1 -13.571 17.640 -0.116 16 H GLU 2 H GLU 2 -20.209 14.070 0.229 17 HA GLU 2 HA GLU 2 -21.920 13.610 1.620 18 HB2 GLU 2 HB2 GLU 2 -21.469 10.778 0.638 19 HB3 GLU 2 HB3 GLU 2 -22.951 11.398 1.371 20 HG2 GLU 2 HG2 GLU 2 -23.296 12.950 -0.465 21 HG3 GLU 2 HG3 GLU 2 -21.766 12.503 -1.202 22 H ALA 3 H ALA 3 -19.366 13.641 3.030 23 HA ALA 3 HA ALA 3 -19.433 11.446 4.942 24 HB1 ALA 3 HB1 ALA 3 -17.330 12.289 4.045 25 HB2 ALA 3 HB2 ALA 3 -17.635 13.885 4.763 26 HB3 ALA 3 HB3 ALA 3 -17.387 12.469 5.806 27 H ALA 4 H ALA 4 -20.927 11.406 6.497 28 HA ALA 4 HA ALA 4 -21.807 13.685 8.046 29 HB1 ALA 4 HB1 ALA 4 -21.997 10.686 8.567 30 HB2 ALA 4 HB2 ALA 4 -22.767 11.955 9.535 31 HB3 ALA 4 HB3 ALA 4 -23.220 11.734 7.836 32 HA PRO 5 HA PRO 5 -18.687 12.337 11.379 33 HB2 PRO 5 HB2 PRO 5 -16.702 10.515 10.926 34 HB3 PRO 5 HB3 PRO 5 -18.373 10.050 11.357 35 HG2 PRO 5 HG2 PRO 5 -17.183 10.218 8.556 36 HG3 PRO 5 HG3 PRO 5 -18.062 8.843 9.305 37 HD2 PRO 5 HD2 PRO 5 -19.306 10.594 7.717 38 HD3 PRO 5 HD3 PRO 5 -20.098 9.995 9.211 39 H LYS 6 H LYS 6 -17.230 12.398 8.201 40 HA LYS 6 HA LYS 6 -15.337 13.001 7.265 41 HB2 LYS 6 HB2 LYS 6 -14.858 15.365 7.188 42 HB3 LYS 6 HB3 LYS 6 -16.538 14.932 7.009 43 HG2 LYS 6 HG2 LYS 6 -16.616 16.868 8.233 44 HG3 LYS 6 HG3 LYS 6 -16.919 15.623 9.426 45 HD2 LYS 6 HD2 LYS 6 -14.296 15.827 9.873 46 HD3 LYS 6 HD3 LYS 6 -14.453 17.349 8.997 47 HE2 LYS 6 HE2 LYS 6 -16.130 16.539 11.409 48 HE3 LYS 6 HE3 LYS 6 -14.663 17.489 11.528 49 HZ1 LYS 6 HZ1 LYS 6 -15.739 19.208 10.158 50 HZ2 LYS 6 HZ2 LYS 6 -17.117 18.329 10.082 51 HZ3 LYS 6 HZ3 LYS 6 -16.600 18.915 11.508 52 H CYS 7 H CYS 7 -14.731 13.566 10.721 53 HA CYS 7 HA CYS 7 -12.236 12.091 10.486 54 HB2 CYS 7 HB2 CYS 7 -11.652 14.490 9.819 55 HB3 CYS 7 HB3 CYS 7 -12.077 14.962 11.482 56 HG CYS 7 HG CYS 7 -9.978 12.599 10.550 57 H ASN 8 H ASN 8 -11.271 11.640 12.661 58 HA ASN 8 HA ASN 8 -13.307 11.405 14.724 59 HB2 ASN 8 HB2 ASN 8 -11.894 10.032 15.862 60 HB3 ASN 8 HB3 ASN 8 -11.376 9.733 14.208 61 HD21 ASN 8 HD22 ASN 8 -9.829 9.046 16.458 62 HD22 ASN 8 HD21 ASN 8 -8.391 10.064 16.406 63 H ASN 9 H ASN 9 -10.745 13.706 14.094 64 HA ASN 9 HA ASN 9 -11.734 15.524 16.187 65 HB2 ASN 9 HB2 ASN 9 -10.223 13.898 17.387 66 HB3 ASN 9 HB3 ASN 9 -8.907 14.367 16.315 67 HD21 ASN 9 HD22 ASN 9 -11.205 15.645 18.772 68 HD22 ASN 9 HD21 ASN 9 -10.122 16.927 19.301 69 H CYS 10 H CYS 10 -9.258 14.953 13.627 70 HA CYS 10 HA CYS 10 -8.235 17.595 13.693 71 HB2 CYS 10 HB2 CYS 10 -8.027 15.605 11.404 72 HB3 CYS 10 HB3 CYS 10 -6.932 16.929 11.795 73 HG CYS 10 HG CYS 10 -5.637 14.916 12.498 74 H SER 11 H SER 11 -11.017 16.428 12.101 75 HA SER 11 HA SER 11 -12.556 17.237 10.682 76 HB2 SER 11 HB2 SER 11 -11.669 19.751 12.096 77 HB3 SER 11 HB3 SER 11 -13.183 19.607 11.183 78 HG SER 11 HG SER 11 -13.265 18.991 13.458 79 H GLN 12 H GLN 12 -9.648 17.574 9.441 80 HA GLN 12 HA GLN 12 -10.626 19.176 7.094 81 HB2 GLN 12 HB2 GLN 12 -7.879 19.218 8.387 82 HB3 GLN 12 HB3 GLN 12 -8.322 20.051 6.894 83 HG2 GLN 12 HG2 GLN 12 -9.981 21.417 8.126 84 HG3 GLN 12 HG3 GLN 12 -9.511 20.636 9.637 85 HE21 GLN 12 HE22 GLN 12 -9.170 23.112 10.082 86 HE22 GLN 12 HE21 GLN 12 -7.540 23.689 9.750 87 H ARG 13 H ARG 13 -9.684 16.072 7.837 88 HA ARG 13 HA ARG 13 -8.422 15.580 5.157 89 HB2 ARG 13 HB2 ARG 13 -7.619 14.511 7.880 90 HB3 ARG 13 HB3 ARG 13 -7.047 13.811 6.355 91 HG2 ARG 13 HG2 ARG 13 -5.993 15.969 5.740 92 HG3 ARG 13 HG3 ARG 13 -6.610 16.693 7.226 93 HD2 ARG 13 HD2 ARG 13 -4.369 16.203 7.671 94 HD3 ARG 13 HD3 ARG 13 -5.317 15.003 8.551 95 HE ARG 13 HE ARG 13 -4.523 13.947 5.986 96 HH11 ARG 13 HH11 ARG 13 -3.123 14.719 9.122 97 HH12 ARG 13 HH12 ARG 13 -1.795 13.593 8.900 98 HH21 ARG 13 HH21 ARG 13 -2.766 12.548 5.802 99 HH22 ARG 13 HH22 ARG 13 -1.611 12.395 7.094 100 H GLY 14 H GLY 14 -8.591 13.359 4.380 101 HA2 GLY 14 HA2 GLY 14 -11.329 12.634 4.238 102 HA3 GLY 14 HA3 GLY 14 -9.971 11.733 3.561 103 H HIS 15 H HIS 15 -8.889 11.434 6.458 104 HA HIS 15 HA HIS 15 -10.211 8.926 6.955 105 HB2 HIS 15 HB2 HIS 15 -8.581 8.664 8.783 106 HB3 HIS 15 HB3 HIS 15 -7.901 8.954 7.196 107 HD1 HIS 15 HD1 HIS 15 -5.711 9.483 8.839 108 HD2 HIS 15 HD2 HIS 15 -8.827 12.292 8.658 109 HE1 HIS 15 HE1 HIS 15 -4.754 11.677 9.694 110 H LEU 16 H LEU 16 -12.300 9.268 7.435 111 HA LEU 16 HA LEU 16 -13.455 10.689 9.587 112 HB2 LEU 16 HB2 LEU 16 -15.352 9.191 9.291 113 HB3 LEU 16 HB3 LEU 16 -14.737 9.875 7.799 114 HG LEU 16 HG LEU 16 -13.581 7.618 7.369 115 HD11 LEU 16 HD11 LEU 16 -15.503 6.766 9.591 116 HD12 LEU 16 HD12 LEU 16 -14.669 5.669 8.480 117 HD13 LEU 16 HD13 LEU 16 -13.725 6.610 9.635 118 HD21 LEU 16 HD21 LEU 16 -16.624 7.722 7.541 119 HD22 LEU 16 HD22 LEU 16 -15.627 8.364 6.219 120 HD23 LEU 16 HD23 LEU 16 -15.666 6.626 6.524 121 H LYS 17 H LYS 17 -14.786 9.315 11.310 122 HA LYS 17 HA LYS 17 -13.296 9.188 13.508 123 HB2 LYS 17 HB2 LYS 17 -15.902 8.796 13.014 124 HB3 LYS 17 HB3 LYS 17 -15.517 7.143 13.423 125 HG2 LYS 17 HG2 LYS 17 -14.963 9.613 15.118 126 HG3 LYS 17 HG3 LYS 17 -16.317 8.518 15.331 127 HD2 LYS 17 HD2 LYS 17 -13.378 7.834 15.802 128 HD3 LYS 17 HD3 LYS 17 -14.606 8.166 17.017 129 HE2 LYS 17 HE2 LYS 17 -15.926 6.194 16.141 130 HE3 LYS 17 HE3 LYS 17 -14.557 5.789 15.114 131 HZ1 LYS 17 HZ1 LYS 17 -14.490 4.572 17.211 132 HZ2 LYS 17 HZ2 LYS 17 -13.201 5.567 17.137 133 HZ3 LYS 17 HZ3 LYS 17 -14.482 5.945 18.076 134 H LYS 18 H LYS 18 -14.239 6.055 12.082 135 HA LYS 18 HA LYS 18 -12.155 4.585 13.499 136 HB2 LYS 18 HB2 LYS 18 -13.117 2.624 12.485 137 HB3 LYS 18 HB3 LYS 18 -14.386 3.650 13.142 138 HG2 LYS 18 HG2 LYS 18 -14.954 4.465 10.890 139 HG3 LYS 18 HG3 LYS 18 -13.615 3.536 10.188 140 HD2 LYS 18 HD2 LYS 18 -14.670 1.431 10.970 141 HD3 LYS 18 HD3 LYS 18 -16.012 2.366 11.662 142 HE2 LYS 18 HE2 LYS 18 -16.510 3.271 9.388 143 HE3 LYS 18 HE3 LYS 18 -15.213 2.285 8.723 144 HZ1 LYS 18 HZ1 LYS 18 -17.369 1.202 8.476 145 HZ2 LYS 18 HZ2 LYS 18 -16.428 0.305 9.458 146 HZ3 LYS 18 HZ3 LYS 18 -17.627 1.222 10.083 147 H ASP 19 H ASP 19 -11.996 6.327 10.623 148 HA ASP 19 HA ASP 19 -10.010 4.615 9.286 149 HB2 ASP 19 HB2 ASP 19 -11.812 6.287 8.268 150 HB3 ASP 19 HB3 ASP 19 -10.562 7.480 8.594 151 H CYS 20 H CYS 20 -10.105 7.592 11.237 152 HA CYS 20 HA CYS 20 -7.538 8.527 10.861 153 HB2 CYS 20 HB2 CYS 20 -9.563 9.614 11.976 154 HB3 CYS 20 HB3 CYS 20 -9.048 8.821 13.475 155 HG CYS 20 HG CYS 20 -6.563 9.751 13.356 156 HA PRO 21 HA PRO 21 -5.776 5.975 14.541 157 HB2 PRO 21 HB2 PRO 21 -7.507 3.522 14.464 158 HB3 PRO 21 HB3 PRO 21 -6.750 4.327 15.870 159 HG2 PRO 21 HG2 PRO 21 -9.396 4.631 15.394 160 HG3 PRO 21 HG3 PRO 21 -8.407 6.058 15.856 161 HD2 PRO 21 HD2 PRO 21 -9.217 5.167 13.070 162 HD3 PRO 21 HD3 PRO 21 -9.377 6.785 13.824 163 H HIS 22 H HIS 22 -6.825 4.767 11.468 164 HA HIS 22 HA HIS 22 -4.694 2.711 11.282 165 HB2 HIS 22 HB2 HIS 22 -7.069 3.318 9.489 166 HB3 HIS 22 HB3 HIS 22 -5.872 2.060 9.204 167 HD1 HIS 22 HD1 HIS 22 -9.002 2.698 11.266 168 HD2 HIS 22 HD2 HIS 22 -5.872 -0.082 10.930 169 HE1 HIS 22 HE1 HIS 22 -9.742 0.661 12.535 170 H ILE 23 H ILE 23 -3.181 2.727 9.573 171 HA ILE 23 HA ILE 23 -2.352 5.435 8.788 172 HB ILE 23 HB ILE 23 -0.820 2.880 8.317 173 HG12 ILE 23 HG12 ILE 23 -1.221 2.923 10.697 174 HG13 ILE 23 HG13 ILE 23 0.437 3.360 10.373 175 HG21 ILE 23 HG21 ILE 23 0.002 5.820 8.470 176 HG22 ILE 23 HG22 ILE 23 1.132 4.455 8.374 177 HG23 ILE 23 HG23 ILE 23 0.034 4.782 7.035 178 HD11 ILE 23 HD11 ILE 23 -0.077 5.753 10.802 179 HD12 ILE 23 HD12 ILE 23 -1.781 5.330 11.106 180 HD13 ILE 23 HD13 ILE 23 -0.509 4.723 12.174 181 H ILE 24 H ILE 24 -4.422 5.365 7.576 182 HA ILE 24 HA ILE 24 -4.382 4.250 4.841 183 HB ILE 24 HB ILE 24 -6.401 5.941 6.356 184 HG12 ILE 24 HG12 ILE 24 -6.066 3.657 7.342 185 HG13 ILE 24 HG13 ILE 24 -7.687 4.016 6.796 186 HG21 ILE 24 HG21 ILE 24 -8.021 5.142 4.602 187 HG22 ILE 24 HG22 ILE 24 -6.830 6.304 4.032 188 HG23 ILE 24 HG23 ILE 24 -6.639 4.574 3.643 189 HD11 ILE 24 HD11 ILE 24 -7.440 2.607 4.845 190 HD12 ILE 24 HD12 ILE 24 -5.695 2.394 5.146 191 HD13 ILE 24 HD13 ILE 24 -6.885 1.693 6.258 192 H CYS 25 H CYS 25 -3.866 5.455 3.039 193 HA CYS 25 HA CYS 25 -2.449 7.896 3.312 194 HB2 CYS 25 HB2 CYS 25 -3.814 6.858 0.812 195 HB3 CYS 25 HB3 CYS 25 -2.396 7.916 0.899 196 HG CYS 25 HG CYS 25 -0.808 6.156 2.029 197 H SER 26 H SER 26 -3.003 10.044 2.922 198 HA SER 26 HA SER 26 -5.070 10.918 4.316 199 HB2 SER 26 HB2 SER 26 -3.689 12.378 2.057 200 HB3 SER 26 HB3 SER 26 -4.665 13.175 3.308 201 HG SER 26 HG SER 26 -2.295 12.753 3.654 202 H TYR 27 H TYR 27 -5.423 10.449 0.802 203 HA TYR 27 HA TYR 27 -8.319 10.728 1.228 204 HB2 TYR 27 HB2 TYR 27 -7.242 12.935 0.444 205 HB3 TYR 27 HB3 TYR 27 -6.977 12.146 -1.095 206 HD1 TYR 27 HD2 TYR 27 -10.187 11.224 0.518 207 HD2 TYR 27 HD1 TYR 27 -8.179 14.192 -1.904 208 HE1 TYR 27 HE2 TYR 27 -12.367 12.163 -0.156 209 HE2 TYR 27 HE1 TYR 27 -10.378 15.132 -2.561 210 HH TYR 27 HH TYR 27 -12.681 14.939 -2.297 211 H CYS 28 H CYS 28 -6.180 8.547 0.357 212 HA CYS 28 HA CYS 28 -6.955 7.705 -2.291 213 HB2 CYS 28 HB2 CYS 28 -5.689 6.267 0.072 214 HB3 CYS 28 HB3 CYS 28 -6.067 5.449 -1.436 215 HG CYS 28 HG CYS 28 -4.713 6.808 -3.034 216 H GLY 29 H GLY 29 -8.138 6.724 0.948 217 HA2 GLY 29 HA2 GLY 29 -10.323 5.113 -0.229 218 HA3 GLY 29 HA3 GLY 29 -8.897 4.277 0.405 219 H ALA 30 H ALA 30 -11.057 3.424 1.411 220 HA ALA 30 HA ALA 30 -11.266 4.550 4.167 221 HB1 ALA 30 HB1 ALA 30 -13.239 2.843 2.589 222 HB2 ALA 30 HB2 ALA 30 -13.412 3.299 4.292 223 HB3 ALA 30 HB3 ALA 30 -13.463 4.548 3.042 224 H THR 31 H THR 31 -10.616 3.239 5.784 225 HA THR 31 HA THR 31 -9.022 0.965 5.494 226 HB THR 31 HB THR 31 -9.000 2.397 7.448 227 HG1 THR 31 HG1 THR 31 -8.904 0.716 8.933 228 HG21 THR 31 HG21 THR 31 -11.374 2.911 7.806 229 HG22 THR 31 HG22 THR 31 -11.708 1.216 8.213 230 HG23 THR 31 HG23 THR 31 -10.660 2.208 9.253 231 H ASP 32 H ASP 32 -12.493 1.029 5.399 232 HA ASP 32 HA ASP 32 -13.017 -1.723 6.026 233 HB2 ASP 32 HB2 ASP 32 -14.659 0.170 5.947 234 HB3 ASP 32 HB3 ASP 32 -14.518 0.178 4.195 235 H ASP 33 H ASP 33 -11.540 -0.311 3.215 236 HA ASP 33 HA ASP 33 -11.646 -2.908 1.727 237 HB2 ASP 33 HB2 ASP 33 -13.417 -1.395 0.903 238 HB3 ASP 33 HB3 ASP 33 -12.223 -0.140 0.608 239 H HIS 34 H HIS 34 -9.955 0.177 2.224 240 HA HIS 34 HA HIS 34 -7.939 -0.108 0.260 241 HB2 HIS 34 HB2 HIS 34 -8.678 1.997 1.247 242 HB3 HIS 34 HB3 HIS 34 -8.094 1.497 2.832 243 HD1 HIS 34 HD1 HIS 34 -5.340 1.341 3.070 244 HD2 HIS 34 HD2 HIS 34 -6.963 3.260 -0.296 245 HE1 HIS 34 HE1 HIS 34 -3.499 2.824 2.131 246 H TYR 35 H TYR 35 -6.169 -1.296 0.172 247 HA TYR 35 HA TYR 35 -4.667 -2.220 2.520 248 HB2 TYR 35 HB2 TYR 35 -6.532 -3.845 2.339 249 HB3 TYR 35 HB3 TYR 35 -6.159 -4.101 0.643 250 HD1 TYR 35 HD1 TYR 35 -4.287 -4.166 3.934 251 HD2 TYR 35 HD2 TYR 35 -5.120 -6.128 0.182 252 HE1 TYR 35 HE1 TYR 35 -2.691 -5.973 4.525 253 HE2 TYR 35 HE2 TYR 35 -3.506 -7.932 0.778 254 HH TYR 35 HH TYR 35 -1.720 -7.975 3.795 255 H SER 36 H SER 36 -2.722 -3.522 1.762 256 HA SER 36 HA SER 36 -1.199 -2.176 -0.167 257 HB2 SER 36 HB2 SER 36 -0.804 -4.953 0.990 258 HB3 SER 36 HB3 SER 36 0.453 -3.916 0.283 259 HG SER 36 HG SER 36 0.271 -3.690 2.567 260 H ARG 37 H ARG 37 -3.455 -4.699 -0.758 261 HA ARG 37 HA ARG 37 -2.513 -5.004 -3.596 262 HB2 ARG 37 HB2 ARG 37 -4.393 -6.787 -2.007 263 HB3 ARG 37 HB3 ARG 37 -3.854 -7.067 -3.650 264 HG2 ARG 37 HG2 ARG 37 -2.023 -7.113 -1.206 265 HG3 ARG 37 HG3 ARG 37 -2.774 -8.505 -1.962 266 HD2 ARG 37 HD2 ARG 37 -0.561 -8.466 -2.748 267 HD3 ARG 37 HD3 ARG 37 -1.580 -7.967 -4.103 268 HE ARG 37 HE ARG 37 -0.714 -5.628 -2.740 269 HH11 ARG 37 HH11 ARG 37 0.826 -8.112 -4.691 270 HH12 ARG 37 HH12 ARG 37 2.066 -7.001 -5.242 271 HH21 ARG 37 HH21 ARG 37 0.798 -4.324 -3.467 272 HH22 ARG 37 HH22 ARG 37 2.061 -4.873 -4.550 273 H HIS 38 H HIS 38 -4.542 -3.065 -1.965 274 HA HIS 38 HA HIS 38 -6.494 -2.905 -4.201 275 HB2 HIS 38 HB2 HIS 38 -7.054 -4.058 -1.699 276 HB3 HIS 38 HB3 HIS 38 -7.718 -2.442 -1.575 277 HD1 HIS 38 HD1 HIS 38 -10.208 -2.479 -2.375 278 HD2 HIS 38 HD2 HIS 38 -7.750 -5.234 -4.360 279 HE1 HIS 38 HE1 HIS 38 -11.704 -3.703 -3.974 280 H CYS 39 H CYS 39 -4.307 -1.143 -2.444 281 HA CYS 39 HA CYS 39 -5.081 1.351 -1.959 282 HB2 CYS 39 HB2 CYS 39 -2.770 0.382 -2.030 283 HB3 CYS 39 HB3 CYS 39 -2.710 0.677 -3.762 284 HG CYS 39 HG CYS 39 -1.377 2.514 -2.540 285 HA PRO 40 HA PRO 40 -5.590 2.976 -6.425 286 HB2 PRO 40 HB2 PRO 40 -5.584 1.337 -8.621 287 HB3 PRO 40 HB3 PRO 40 -4.095 1.961 -7.853 288 HG2 PRO 40 HG2 PRO 40 -5.435 -0.729 -7.359 289 HG3 PRO 40 HG3 PRO 40 -3.724 -0.413 -7.809 290 HD2 PRO 40 HD2 PRO 40 -4.377 -0.754 -5.243 291 HD3 PRO 40 HD3 PRO 40 -3.249 0.548 -5.727 292 H LYS 41 H LYS 41 -7.419 0.366 -5.213 293 HA LYS 41 HA LYS 41 -9.731 0.753 -7.053 294 HB2 LYS 41 HB2 LYS 41 -9.190 -1.441 -5.015 295 HB3 LYS 41 HB3 LYS 41 -10.501 -1.412 -6.180 296 HG2 LYS 41 HG2 LYS 41 -7.534 -1.742 -6.752 297 HG3 LYS 41 HG3 LYS 41 -8.792 -2.949 -6.919 298 HD2 LYS 41 HD2 LYS 41 -8.434 -0.449 -8.622 299 HD3 LYS 41 HD3 LYS 41 -8.116 -2.101 -9.114 300 HE2 LYS 41 HE2 LYS 41 -10.861 -1.007 -8.357 301 HE3 LYS 41 HE3 LYS 41 -10.254 -1.148 -9.997 302 HZ1 LYS 41 HZ1 LYS 41 -11.626 -3.045 -9.424 303 HZ2 LYS 41 HZ2 LYS 41 -10.104 -3.550 -9.691 304 HZ3 LYS 41 HZ3 LYS 41 -10.676 -3.442 -8.162 305 H ALA 42 H ALA 42 -8.793 2.235 -4.392 306 HA ALA 42 HA ALA 42 -11.174 1.947 -2.722 307 HB1 ALA 42 HB1 ALA 42 -9.902 3.092 -1.108 308 HB2 ALA 42 HB2 ALA 42 -8.796 1.998 -1.930 309 HB3 ALA 42 HB3 ALA 42 -8.746 3.714 -2.346 310 H ILE 43 H ILE 43 -10.982 4.794 -1.783 311 HA ILE 43 HA ILE 43 -13.430 5.614 -2.897 312 HB ILE 43 HB ILE 43 -11.356 7.184 -1.331 313 HG12 ILE 43 HG12 ILE 43 -13.995 5.918 -0.435 314 HG13 ILE 43 HG13 ILE 43 -12.426 5.185 -0.188 315 HG21 ILE 43 HG21 ILE 43 -14.231 7.991 -1.933 316 HG22 ILE 43 HG22 ILE 43 -13.141 8.831 -0.810 317 HG23 ILE 43 HG23 ILE 43 -12.769 8.820 -2.514 318 HD11 ILE 43 HD11 ILE 43 -12.928 6.257 1.876 319 HD12 ILE 43 HD12 ILE 43 -11.762 7.335 1.085 320 HD13 ILE 43 HD13 ILE 43 -13.495 7.728 1.086 321 H GLN 44 H GLN 44 -10.160 6.734 -3.884 322 HA GLN 44 HA GLN 44 -11.481 8.242 -6.096 323 HB2 GLN 44 HB2 GLN 44 -9.884 9.942 -6.020 324 HB3 GLN 44 HB3 GLN 44 -10.512 9.717 -4.387 325 HG2 GLN 44 HG2 GLN 44 -8.446 8.489 -3.770 326 HG3 GLN 44 HG3 GLN 44 -7.825 8.704 -5.411 327 HE21 GLN 44 HE22 GLN 44 -6.008 9.705 -3.914 328 HE22 GLN 44 HE21 GLN 44 -6.177 11.444 -3.675 329 H CYS 45 H CYS 45 -10.441 8.562 -8.062 330 HA CYS 45 HA CYS 45 -9.310 6.066 -9.070 331 HB2 CYS 45 HB2 CYS 45 -9.652 7.193 -11.272 332 HB3 CYS 45 HB3 CYS 45 -11.122 7.129 -10.306 333 HG CYS 45 HG CYS 45 -11.277 9.541 -9.653 334 H SER 46 H SER 46 -8.122 9.355 -8.564 335 HA SER 46 HA SER 46 -5.342 8.629 -9.212 336 HB2 SER 46 HB2 SER 46 -6.531 9.046 -11.404 337 HB3 SER 46 HB3 SER 46 -6.807 10.712 -10.875 338 HG SER 46 HG SER 46 -4.816 10.321 -12.054 339 H LYS 47 H LYS 47 -4.568 11.351 -9.648 340 HA LYS 47 HA LYS 47 -4.274 12.474 -7.019 341 HB2 LYS 47 HB2 LYS 47 -3.832 13.715 -9.775 342 HB3 LYS 47 HB3 LYS 47 -3.287 14.401 -8.245 343 HG2 LYS 47 HG2 LYS 47 -1.917 12.343 -7.838 344 HG3 LYS 47 HG3 LYS 47 -2.349 11.760 -9.448 345 HD2 LYS 47 HD2 LYS 47 -0.850 14.347 -8.852 346 HD3 LYS 47 HD3 LYS 47 -0.115 12.824 -9.361 347 HE2 LYS 47 HE2 LYS 47 -1.431 12.906 -11.474 348 HE3 LYS 47 HE3 LYS 47 -2.105 14.457 -10.987 349 HZ1 LYS 47 HZ1 LYS 47 -0.215 14.772 -12.448 350 HZ2 LYS 47 HZ2 LYS 47 0.172 15.354 -10.977 351 HZ3 LYS 47 HZ3 LYS 47 0.772 13.918 -11.476 352 H CYS 48 H CYS 48 -6.754 12.873 -9.450 353 HA CYS 48 HA CYS 48 -7.984 15.160 -8.035 354 HB2 CYS 48 HB2 CYS 48 -9.569 15.124 -9.942 355 HB3 CYS 48 HB3 CYS 48 -7.882 15.335 -10.419 356 HG CYS 48 HG CYS 48 -8.934 13.827 -12.191 357 H ASP 49 H ASP 49 -10.222 15.090 -7.386 358 HA ASP 49 HA ASP 49 -10.436 13.030 -5.457 359 HB2 ASP 49 HB2 ASP 49 -12.345 14.298 -4.631 360 HB3 ASP 49 HB3 ASP 49 -10.928 15.294 -4.908 361 H GLU 50 H GLU 50 -11.633 11.384 -5.165 362 HA GLU 50 HA GLU 50 -12.958 9.627 -5.354 363 HB2 GLU 50 HB2 GLU 50 -15.004 11.537 -6.485 364 HB3 GLU 50 HB3 GLU 50 -15.306 9.929 -5.819 365 HG2 GLU 50 HG2 GLU 50 -14.267 10.685 -3.651 366 HG3 GLU 50 HG3 GLU 50 -14.187 12.317 -4.298 367 H VAL 51 H VAL 51 -13.613 7.829 -6.528 368 HA VAL 51 HA VAL 51 -13.174 7.667 -9.428 369 HB VAL 51 HB VAL 51 -14.120 5.434 -9.276 370 HG11 VAL 51 HG11 VAL 51 -12.504 4.334 -7.865 371 HG12 VAL 51 HG12 VAL 51 -11.737 5.691 -8.690 372 HG13 VAL 51 HG13 VAL 51 -12.192 5.821 -6.963 373 HG21 VAL 51 HG21 VAL 51 -14.832 4.407 -7.174 374 HG22 VAL 51 HG22 VAL 51 -14.659 5.948 -6.319 375 HG23 VAL 51 HG23 VAL 51 -15.889 5.753 -7.589 376 H GLY 52 H GLY 52 -15.578 8.812 -7.380 377 HA2 GLY 52 HA2 GLY 52 -18.002 8.043 -8.617 378 HA3 GLY 52 HA3 GLY 52 -17.767 9.306 -7.407 379 H HIS 53 H HIS 53 -16.078 9.700 -10.447 380 HA HIS 53 HA HIS 53 -18.223 11.246 -11.664 381 HB2 HIS 53 HB2 HIS 53 -17.236 13.323 -11.769 382 HB3 HIS 53 HB3 HIS 53 -16.957 12.845 -10.107 383 HD1 HIS 53 HD1 HIS 53 -15.213 14.829 -12.271 384 HD2 HIS 53 HD2 HIS 53 -14.209 11.179 -10.449 385 HE1 HIS 53 HE1 HIS 53 -12.676 14.701 -12.272 386 H TYR 54 H TYR 54 -17.873 11.784 -13.823 387 HA TYR 54 HA TYR 54 -17.494 11.332 -15.941 388 HB2 TYR 54 HB2 TYR 54 -15.323 12.420 -15.287 389 HB3 TYR 54 HB3 TYR 54 -14.592 10.823 -15.298 390 HD1 TYR 54 HD1 TYR 54 -14.298 9.588 -17.422 391 HD2 TYR 54 HD2 TYR 54 -16.066 13.519 -17.345 392 HE1 TYR 54 HE1 TYR 54 -13.990 9.782 -19.888 393 HE2 TYR 54 HE2 TYR 54 -15.768 13.705 -19.804 394 HH TYR 54 HH TYR 54 -14.980 12.612 -21.714 395 H ARG 55 H ARG 55 -17.700 9.820 -17.483 396 HA ARG 55 HA ARG 55 -18.419 7.226 -16.651 397 HB2 ARG 55 HB2 ARG 55 -18.671 8.770 -19.023 398 HB3 ARG 55 HB3 ARG 55 -17.788 7.342 -19.518 399 HG2 ARG 55 HG2 ARG 55 -20.103 6.880 -19.829 400 HG3 ARG 55 HG3 ARG 55 -19.590 5.925 -18.433 401 HD2 ARG 55 HD2 ARG 55 -20.545 7.705 -16.930 402 HD3 ARG 55 HD3 ARG 55 -21.072 8.590 -18.368 403 HE ARG 55 HE ARG 55 -22.109 5.931 -18.488 404 HH11 ARG 55 HH11 ARG 55 -22.656 8.883 -16.657 405 HH12 ARG 55 HH12 ARG 55 -24.317 8.459 -16.302 406 HH21 ARG 55 HH21 ARG 55 -24.223 5.455 -17.994 407 HH22 ARG 55 HH22 ARG 55 -25.175 6.564 -17.041 408 H SER 56 H SER 56 -17.671 5.147 -17.181 409 HA SER 56 HA SER 56 -16.149 3.554 -16.670 410 HB2 SER 56 HB2 SER 56 -14.317 5.074 -18.532 411 HB3 SER 56 HB3 SER 56 -14.147 3.383 -18.021 412 HG SER 56 HG SER 56 -15.347 3.630 -19.974 413 H GLN 57 H GLN 57 -16.349 5.687 -14.838 414 HA GLN 57 HA GLN 57 -15.494 6.490 -12.937 415 HB2 GLN 57 HB2 GLN 57 -13.807 3.973 -12.912 416 HB3 GLN 57 HB3 GLN 57 -14.336 4.922 -11.524 417 HG2 GLN 57 HG2 GLN 57 -16.085 3.242 -13.375 418 HG3 GLN 57 HG3 GLN 57 -15.660 2.893 -11.711 419 HE21 GLN 57 HE22 GLN 57 -16.650 4.234 -9.977 420 HE22 GLN 57 HE21 GLN 57 -18.122 5.133 -10.347 421 H CYS 58 H CYS 58 -14.441 7.873 -14.858 422 HA CYS 58 HA CYS 58 -12.755 9.135 -15.702 423 HB2 CYS 58 HB2 CYS 58 -13.222 10.104 -13.485 424 HB3 CYS 58 HB3 CYS 58 -11.870 9.173 -12.815 425 HG CYS 58 HG CYS 58 -10.063 10.139 -14.353 426 HA PRO 59 HA PRO 59 -9.554 5.800 -16.145 427 HB2 PRO 59 HB2 PRO 59 -9.577 5.565 -18.854 428 HB3 PRO 59 HB3 PRO 59 -10.820 4.801 -17.819 429 HG2 PRO 59 HG2 PRO 59 -10.999 7.458 -19.276 430 HG3 PRO 59 HG3 PRO 59 -12.175 6.108 -19.308 431 HD2 PRO 59 HD2 PRO 59 -12.461 8.244 -17.648 432 HD3 PRO 59 HD3 PRO 59 -12.929 6.596 -17.122 433 H HIS 60 H HIS 60 -7.409 5.911 -17.159 434 HA HIS 60 HA HIS 60 -6.229 8.545 -17.174 435 HB2 HIS 60 HB2 HIS 60 -4.986 6.585 -16.439 436 HB3 HIS 60 HB3 HIS 60 -5.147 5.839 -18.029 437 HD1 HIS 60 HD1 HIS 60 -3.340 8.838 -16.379 438 HD2 HIS 60 HD2 HIS 60 -3.378 6.516 -19.877 439 HE1 HIS 60 HE1 HIS 60 -1.318 9.557 -17.730 440 H LYS 61 H LYS 61 -5.573 9.845 -18.837 441 HA LYS 61 HA LYS 61 -6.688 9.289 -21.540 442 HB2 LYS 61 HB2 LYS 61 -7.435 11.311 -20.360 443 HB3 LYS 61 HB3 LYS 61 -5.771 11.904 -20.303 444 HG2 LYS 61 HG2 LYS 61 -5.704 11.965 -22.788 445 HG3 LYS 61 HG3 LYS 61 -7.317 11.250 -22.855 446 HD2 LYS 61 HD2 LYS 61 -7.491 13.609 -23.283 447 HD3 LYS 61 HD3 LYS 61 -8.249 13.263 -21.724 448 HE2 LYS 61 HE2 LYS 61 -6.204 14.050 -20.559 449 HE3 LYS 61 HE3 LYS 61 -5.423 14.340 -22.109 450 HZ1 LYS 61 HZ1 LYS 61 -7.125 16.014 -22.584 451 HZ2 LYS 61 HZ2 LYS 61 -7.856 15.742 -21.147 452 HZ3 LYS 61 HZ3 LYS 61 -6.357 16.378 -21.196 453 H TRP 62 H TRP 62 -5.292 8.143 -22.685 454 HA TRP 62 HA TRP 62 -2.442 8.682 -22.894 455 HB2 TRP 62 HB2 TRP 62 -4.283 7.238 -24.829 456 HB3 TRP 62 HB3 TRP 62 -2.530 7.149 -24.786 457 HD1 TRP 62 HD1 TRP 62 -1.502 6.049 -22.423 458 HE1 TRP 62 HE1 TRP 62 -2.303 3.981 -21.157 459 HE3 TRP 62 HE3 TRP 62 -6.285 5.792 -24.231 460 HZ2 TRP 62 HZ2 TRP 62 -4.711 2.431 -20.904 461 HZ3 TRP 62 HZ3 TRP 62 -7.809 3.995 -23.450 462 HH2 TRP 62 HH2 TRP 62 -7.040 2.322 -21.792 463 H LYS 63 H LYS 63 -1.392 9.422 -24.918 464 HA LYS 63 HA LYS 63 -2.518 11.956 -25.799 465 HB2 LYS 63 HB2 LYS 63 0.095 10.628 -26.588 466 HB3 LYS 63 HB3 LYS 63 -0.380 12.294 -26.928 467 HG2 LYS 63 HG2 LYS 63 -0.649 12.607 -24.394 468 HG3 LYS 63 HG3 LYS 63 0.215 11.077 -24.213 469 HD2 LYS 63 HD2 LYS 63 1.240 13.596 -25.590 470 HD3 LYS 63 HD3 LYS 63 1.716 13.012 -23.993 471 HE2 LYS 63 HE2 LYS 63 2.681 10.975 -25.008 472 HE3 LYS 63 HE3 LYS 63 2.189 11.523 -26.607 473 HZ1 LYS 63 HZ1 LYS 63 3.655 13.448 -26.330 474 HZ2 LYS 63 HZ2 LYS 63 4.123 12.930 -24.853 475 HZ3 LYS 63 HZ3 LYS 63 4.504 12.067 -26.180 476 H LYS 64 H LYS 64 -3.518 9.192 -26.833 477 HA LYS 64 HA LYS 64 -4.562 8.313 -28.642 478 HB2 LYS 64 HB2 LYS 64 -4.605 11.124 -29.783 479 HB3 LYS 64 HB3 LYS 64 -5.653 9.795 -30.232 480 HG2 LYS 64 HG2 LYS 64 -5.623 11.168 -27.511 481 HG3 LYS 64 HG3 LYS 64 -6.781 11.427 -28.809 482 HD2 LYS 64 HD2 LYS 64 -7.499 9.048 -28.657 483 HD3 LYS 64 HD3 LYS 64 -6.387 8.811 -27.288 484 HE2 LYS 64 HE2 LYS 64 -7.559 10.552 -26.009 485 HE3 LYS 64 HE3 LYS 64 -8.622 10.874 -27.371 486 HZ1 LYS 64 HZ1 LYS 64 -9.491 8.614 -27.160 487 HZ2 LYS 64 HZ2 LYS 64 -8.510 8.307 -25.888 488 HZ3 LYS 64 HZ3 LYS 64 -9.691 9.423 -25.764 489 H VAL 65 H VAL 65 -4.621 8.048 -31.052 490 HA VAL 65 HA VAL 65 -1.886 7.367 -31.937 491 HB VAL 65 HB VAL 65 -4.633 6.606 -32.989 492 HG11 VAL 65 HG11 VAL 65 -3.368 4.841 -34.287 493 HG12 VAL 65 HG12 VAL 65 -3.191 6.477 -34.914 494 HG13 VAL 65 HG13 VAL 65 -1.879 5.729 -33.950 495 HG21 VAL 65 HG21 VAL 65 -2.476 5.049 -31.500 496 HG22 VAL 65 HG22 VAL 65 -4.018 5.603 -30.815 497 HG23 VAL 65 HG23 VAL 65 -4.008 4.382 -32.100 498 H GLN 66 H GLN 66 -0.949 7.996 -33.893 499 HA GLN 66 HA GLN 66 -1.528 10.688 -34.739 500 HB2 GLN 66 HB2 GLN 66 0.741 9.733 -34.658 501 HB3 GLN 66 HB3 GLN 66 0.311 8.561 -35.900 502 HG2 GLN 66 HG2 GLN 66 1.634 10.358 -36.849 503 HG3 GLN 66 HG3 GLN 66 0.027 10.372 -37.554 504 HE21 GLN 66 HE22 GLN 66 -1.477 12.131 -36.839 505 HE22 GLN 66 HE21 GLN 66 -0.791 13.613 -36.186 506 H CYS 67 H CYS 67 -2.215 7.488 -36.156 507 HA CYS 67 HA CYS 67 -3.698 8.628 -38.399 508 HB2 CYS 67 HB2 CYS 67 -3.834 5.775 -37.367 509 HB3 CYS 67 HB3 CYS 67 -4.308 6.389 -38.952 510 HG CYS 67 HG CYS 67 -1.937 7.165 -39.697 511 H THR 68 H THR 68 -5.829 8.334 -38.748 512 HA THR 68 HA THR 68 -7.494 9.244 -36.499 513 HB THR 68 HB THR 68 -8.595 10.419 -38.478 514 HG1 THR 68 HG1 THR 68 -7.415 10.174 -40.423 515 HG21 THR 68 HG21 THR 68 -6.682 11.502 -37.212 516 HG22 THR 68 HG22 THR 68 -5.549 10.796 -38.372 517 HG23 THR 68 HG23 THR 68 -6.743 11.978 -38.919 518 H LEU 69 H LEU 69 -7.274 6.691 -38.816 519 HA LEU 69 HA LEU 69 -10.068 5.791 -38.507 520 HB2 LEU 69 HB2 LEU 69 -7.946 4.112 -39.787 521 HB3 LEU 69 HB3 LEU 69 -9.640 4.273 -40.189 522 HG LEU 69 HG LEU 69 -7.380 6.187 -40.895 523 HD11 LEU 69 HD11 LEU 69 -7.856 5.488 -43.194 524 HD12 LEU 69 HD12 LEU 69 -7.453 4.093 -42.183 525 HD13 LEU 69 HD13 LEU 69 -9.145 4.407 -42.618 526 HD21 LEU 69 HD21 LEU 69 -9.443 7.522 -40.559 527 HD22 LEU 69 HD22 LEU 69 -8.992 7.431 -42.260 528 HD23 LEU 69 HD23 LEU 69 -10.328 6.425 -41.646 529 H CYS 70 H CYS 70 -7.005 5.328 -36.990 530 HA CYS 70 HA CYS 70 -7.534 2.551 -36.134 531 HB2 CYS 70 HB2 CYS 70 -5.047 4.297 -36.001 532 HB3 CYS 70 HB3 CYS 70 -5.125 2.586 -35.566 533 HG CYS 70 HG CYS 70 -6.047 3.862 -38.470 534 H LYS 71 H LYS 71 -7.489 5.674 -34.714 535 HA LYS 71 HA LYS 71 -7.948 6.576 -32.724 536 HB2 LYS 71 HB2 LYS 71 -9.521 4.024 -32.300 537 HB3 LYS 71 HB3 LYS 71 -9.786 5.558 -31.489 538 HG2 LYS 71 HG2 LYS 71 -10.176 5.030 -34.467 539 HG3 LYS 71 HG3 LYS 71 -11.432 5.145 -33.240 540 HD2 LYS 71 HD2 LYS 71 -10.752 7.532 -32.805 541 HD3 LYS 71 HD3 LYS 71 -9.561 7.393 -34.102 542 HE2 LYS 71 HE2 LYS 71 -11.434 8.464 -35.054 543 HE3 LYS 71 HE3 LYS 71 -11.401 6.836 -35.701 544 HZ1 LYS 71 HZ1 LYS 71 -13.165 6.238 -34.131 545 HZ2 LYS 71 HZ2 LYS 71 -13.150 7.738 -33.474 546 HZ3 LYS 71 HZ3 LYS 71 -13.636 7.524 -35.011 547 H SER 72 H SER 72 -7.037 3.221 -31.800 548 HA SER 72 HA SER 72 -6.407 4.298 -29.086 549 HB2 SER 72 HB2 SER 72 -7.297 1.540 -29.933 550 HB3 SER 72 HB3 SER 72 -6.767 1.964 -28.295 551 HG SER 72 HG SER 72 -8.983 2.912 -29.680 552 H LYS 73 H LYS 73 -4.506 4.410 -28.442 553 HA LYS 73 HA LYS 73 -2.394 4.164 -27.839 554 HB2 LYS 73 HB2 LYS 73 -3.613 2.339 -26.720 555 HB3 LYS 73 HB3 LYS 73 -3.058 1.213 -27.962 556 HG2 LYS 73 HG2 LYS 73 -0.722 1.577 -27.292 557 HG3 LYS 73 HG3 LYS 73 -1.207 2.883 -26.204 558 HD2 LYS 73 HD2 LYS 73 -0.721 0.917 -24.909 559 HD3 LYS 73 HD3 LYS 73 -2.449 1.267 -24.797 560 HE2 LYS 73 HE2 LYS 73 -2.925 -0.492 -26.467 561 HE3 LYS 73 HE3 LYS 73 -1.200 -0.793 -26.663 562 HZ1 LYS 73 HZ1 LYS 73 -2.729 -1.223 -24.156 563 HZ2 LYS 73 HZ2 LYS 73 -2.191 -2.397 -25.149 564 HZ3 LYS 73 HZ3 LYS 73 -1.125 -1.484 -24.326 565 H LYS 74 H LYS 74 -2.682 1.899 -30.588 566 HA LYS 74 HA LYS 74 0.158 1.445 -30.595 567 HB2 LYS 74 HB2 LYS 74 -1.984 0.541 -32.553 568 HB3 LYS 74 HB3 LYS 74 -0.324 -0.050 -32.506 569 HG2 LYS 74 HG2 LYS 74 -0.722 -0.827 -30.138 570 HG3 LYS 74 HG3 LYS 74 -2.433 -0.397 -30.339 571 HD2 LYS 74 HD2 LYS 74 -2.549 -1.963 -32.312 572 HD3 LYS 74 HD3 LYS 74 -0.853 -2.369 -32.049 573 HE2 LYS 74 HE2 LYS 74 -2.038 -4.129 -31.062 574 HE3 LYS 74 HE3 LYS 74 -1.465 -3.150 -29.723 575 HZ1 LYS 74 HZ1 LYS 74 -4.214 -3.090 -30.850 576 HZ2 LYS 74 HZ2 LYS 74 -3.791 -3.793 -29.449 577 HZ3 LYS 74 HZ3 LYS 74 -3.714 -2.170 -29.592 578 H HIS 75 H HIS 75 1.675 1.719 -32.036 579 HA HIS 75 HA HIS 75 3.001 2.491 -33.640 580 HB2 HIS 75 HB2 HIS 75 2.288 1.832 -35.838 581 HB3 HIS 75 HB3 HIS 75 1.696 0.711 -34.636 582 HD1 HIS 75 HD1 HIS 75 -0.750 0.028 -35.123 583 HD2 HIS 75 HD2 HIS 75 0.212 3.909 -36.419 584 HE1 HIS 75 HE1 HIS 75 -2.853 0.978 -36.192 585 H SER 76 H SER 76 3.232 3.611 -35.821 586 HA SER 76 HA SER 76 2.182 6.399 -35.868 587 HB2 SER 76 HB2 SER 76 5.108 5.570 -35.873 588 HB3 SER 76 HB3 SER 76 4.515 7.205 -36.209 589 HG SER 76 HG SER 76 5.030 6.851 -33.995 590 H LYS 77 H LYS 77 2.943 7.496 -37.955 591 HA LYS 77 HA LYS 77 1.960 6.107 -40.196 592 HB2 LYS 77 HB2 LYS 77 3.803 8.525 -40.087 593 HB3 LYS 77 HB3 LYS 77 2.931 7.983 -41.523 594 HG2 LYS 77 HG2 LYS 77 0.767 8.291 -40.351 595 HG3 LYS 77 HG3 LYS 77 1.617 8.916 -38.935 596 HD2 LYS 77 HD2 LYS 77 1.676 10.150 -41.724 597 HD3 LYS 77 HD3 LYS 77 0.680 10.708 -40.376 598 HE2 LYS 77 HE2 LYS 77 2.737 11.169 -39.053 599 HE3 LYS 77 HE3 LYS 77 3.727 10.645 -40.409 600 HZ1 LYS 77 HZ1 LYS 77 3.492 13.049 -40.367 601 HZ2 LYS 77 HZ2 LYS 77 2.807 12.466 -41.722 602 HZ3 LYS 77 HZ3 LYS 77 1.870 12.957 -40.473 603 H GLU 78 H GLU 78 5.331 6.308 -39.136 604 HA GLU 78 HA GLU 78 6.426 5.079 -41.529 605 HB2 GLU 78 HB2 GLU 78 7.536 5.518 -38.738 606 HB3 GLU 78 HB3 GLU 78 8.457 4.774 -40.055 607 HG2 GLU 78 HG2 GLU 78 8.178 6.781 -41.441 608 HG3 GLU 78 HG3 GLU 78 7.196 7.539 -40.198 609 H ARG 79 H ARG 79 4.829 3.716 -38.786 610 HA ARG 79 HA ARG 79 5.685 0.951 -39.501 611 HB2 ARG 79 HB2 ARG 79 6.001 1.678 -37.153 612 HB3 ARG 79 HB3 ARG 79 4.285 2.017 -37.016 613 HG2 ARG 79 HG2 ARG 79 4.910 -0.094 -35.937 614 HG3 ARG 79 HG3 ARG 79 3.753 -0.372 -37.235 615 HD2 ARG 79 HD2 ARG 79 5.577 -1.115 -38.725 616 HD3 ARG 79 HD3 ARG 79 6.768 -0.758 -37.463 617 HE ARG 79 HE ARG 79 4.967 -2.535 -36.284 618 HH11 ARG 79 HH12 ARG 79 7.127 -2.708 -39.056 619 HH12 ARG 79 HH11 ARG 79 7.308 -4.443 -38.916 620 HH21 ARG 79 HH21 ARG 79 5.247 -4.736 -36.167 621 HH22 ARG 79 HH22 ARG 79 6.269 -5.557 -37.319 622 H CYS 80 H CYS 80 3.015 3.123 -39.746 623 HA CYS 80 HA CYS 80 1.243 0.938 -40.755 624 HB2 CYS 80 HB2 CYS 80 0.438 2.148 -38.781 625 HB3 CYS 80 HB3 CYS 80 0.545 3.679 -39.666 626 HG CYS 80 HG CYS 80 -1.087 3.118 -41.515 627 HA PRO 81 HA PRO 81 2.372 3.033 -44.743 628 HB2 PRO 81 HB2 PRO 81 1.490 0.254 -45.545 629 HB3 PRO 81 HB3 PRO 81 2.774 1.268 -46.267 630 HG2 PRO 81 HG2 PRO 81 3.438 -0.722 -44.575 631 HG3 PRO 81 HG3 PRO 81 4.209 0.888 -44.371 632 HD2 PRO 81 HD2 PRO 81 1.866 -0.279 -42.841 633 HD3 PRO 81 HD3 PRO 81 3.320 0.578 -42.234 634 H SER 82 H SER 82 -0.499 1.459 -43.547 635 HA SER 82 HA SER 82 -2.254 1.772 -45.716 636 HB2 SER 82 HB2 SER 82 -3.034 1.549 -42.786 637 HB3 SER 82 HB3 SER 82 -3.919 0.960 -44.212 638 HG SER 82 HG SER 82 -2.335 -0.564 -44.475 639 H ILE 83 H ILE 83 -1.133 4.340 -45.323 640 HA ILE 83 HA ILE 83 -3.584 5.944 -45.227 641 HB ILE 83 HB ILE 83 -2.608 6.184 -42.988 642 HG12 ILE 83 HG12 ILE 83 -2.375 8.741 -44.623 643 HG13 ILE 83 HG13 ILE 83 -3.890 7.995 -44.107 644 HG21 ILE 83 HG21 ILE 83 -0.480 7.230 -42.542 645 HG22 ILE 83 HG22 ILE 83 -0.190 5.854 -43.598 646 HG23 ILE 83 HG23 ILE 83 -0.174 7.497 -44.270 647 HD11 ILE 83 HD11 ILE 83 -3.193 8.265 -41.723 648 HD12 ILE 83 HD12 ILE 83 -1.744 9.141 -42.275 649 HD13 ILE 83 HD13 ILE 83 -3.356 9.798 -42.598 650 H TRP 84 H TRP 84 -3.648 7.444 -46.864 651 HA TRP 84 HA TRP 84 -1.944 6.859 -49.036 652 HB2 TRP 84 HB2 TRP 84 -3.964 9.099 -48.758 653 HB3 TRP 84 HB3 TRP 84 -3.303 8.486 -50.268 654 HD1 TRP 84 HD1 TRP 84 -6.236 8.130 -48.200 655 HE1 TRP 84 HE1 TRP 84 -7.573 6.018 -48.726 656 HE3 TRP 84 HE3 TRP 84 -2.735 5.614 -50.965 657 HZ2 TRP 84 HZ2 TRP 84 -7.184 3.536 -50.119 658 HZ3 TRP 84 HZ3 TRP 84 -3.253 3.362 -51.866 659 HH2 TRP 84 HH2 TRP 84 -5.462 2.316 -51.452 660 H ARG 85 H ARG 85 -1.222 9.038 -46.595 661 HA ARG 85 HA ARG 85 0.555 10.777 -48.196 662 HB2 ARG 85 HB2 ARG 85 0.121 10.484 -45.198 663 HB3 ARG 85 HB3 ARG 85 1.247 11.622 -45.943 664 HG2 ARG 85 HG2 ARG 85 -0.617 12.685 -47.185 665 HG3 ARG 85 HG3 ARG 85 -1.770 11.593 -46.400 666 HD2 ARG 85 HD2 ARG 85 -1.143 12.501 -44.185 667 HD3 ARG 85 HD3 ARG 85 0.076 13.521 -44.938 668 HE ARG 85 HE ARG 85 -1.540 15.002 -45.688 669 HH11 ARG 85 HH11 ARG 85 -3.230 12.213 -44.373 670 HH12 ARG 85 HH12 ARG 85 -4.779 13.033 -44.416 671 HH21 ARG 85 HH21 ARG 85 -3.523 15.972 -45.706 672 HH22 ARG 85 HH22 ARG 85 -4.935 15.110 -45.153 673 H ALA 86 H ALA 86 0.818 7.620 -46.870 674 HA ALA 86 HA ALA 86 3.744 7.690 -46.594 675 HB1 ALA 86 HB1 ALA 86 2.362 6.361 -45.033 676 HB2 ALA 86 HB2 ALA 86 1.781 5.377 -46.397 677 HB3 ALA 86 HB3 ALA 86 3.495 5.348 -45.946 678 H TYR 87 H TYR 87 5.142 6.248 -47.793 679 HA TYR 87 HA TYR 87 4.645 6.343 -50.655 680 HB2 TYR 87 HB2 TYR 87 6.949 5.112 -49.118 681 HB3 TYR 87 HB3 TYR 87 6.907 5.425 -50.845 682 HD1 TYR 87 HD1 TYR 87 6.491 7.928 -51.579 683 HD2 TYR 87 HD2 TYR 87 7.866 6.725 -47.671 684 HE1 TYR 87 HE1 TYR 87 7.390 10.213 -51.193 685 HE2 TYR 87 HE2 TYR 87 8.761 9.017 -47.288 686 HH TYR 87 HH TYR 87 8.502 11.590 -49.658 687 H ILE 88 H ILE 88 4.476 4.679 -52.117 688 HA ILE 88 HA ILE 88 3.450 2.104 -51.090 689 HB ILE 88 HB ILE 88 2.563 1.668 -53.211 690 HG12 ILE 88 HG12 ILE 88 4.216 2.479 -54.757 691 HG13 ILE 88 HG13 ILE 88 2.622 3.085 -55.145 692 HG21 ILE 88 HG21 ILE 88 1.898 4.534 -52.448 693 HG22 ILE 88 HG22 ILE 88 0.898 3.424 -53.403 694 HG23 ILE 88 HG23 ILE 88 1.249 3.060 -51.709 695 HD11 ILE 88 HD11 ILE 88 4.907 4.685 -53.929 696 HD12 ILE 88 HD12 ILE 88 4.229 4.817 -55.554 697 HD13 ILE 88 HD13 ILE 88 3.252 5.315 -54.166 698 H LEU 89 H LEU 89 4.101 0.082 -51.963 699 HA LEU 89 HA LEU 89 7.028 -0.080 -52.372 700 HB2 LEU 89 HB2 LEU 89 4.979 -2.154 -51.507 701 HB3 LEU 89 HB3 LEU 89 6.681 -2.475 -51.739 702 HG LEU 89 HG LEU 89 6.328 -2.327 -49.449 703 HD11 LEU 89 HD11 LEU 89 7.622 0.312 -50.227 704 HD12 LEU 89 HD12 LEU 89 7.876 -0.618 -48.738 705 HD13 LEU 89 HD13 LEU 89 8.413 -1.282 -50.291 706 HD21 LEU 89 HD21 LEU 89 4.230 -0.955 -49.450 707 HD22 LEU 89 HD22 LEU 89 5.408 -0.541 -48.196 708 HD23 LEU 89 HD23 LEU 89 5.247 0.504 -49.613 709 H VAL 90 H VAL 90 5.328 0.692 -54.595 710 HA VAL 90 HA VAL 90 6.107 -1.355 -56.594 711 HB VAL 90 HB VAL 90 3.958 -1.077 -57.791 712 HG11 VAL 90 HG11 VAL 90 2.655 -2.620 -56.467 713 HG12 VAL 90 HG12 VAL 90 4.367 -3.056 -56.360 714 HG13 VAL 90 HG13 VAL 90 3.574 -2.226 -55.003 715 HG21 VAL 90 HG21 VAL 90 2.901 0.180 -55.224 716 HG22 VAL 90 HG22 VAL 90 3.167 1.044 -56.759 717 HG23 VAL 90 HG23 VAL 90 1.965 -0.249 -56.667 718 H ASP 91 H ASP 91 6.171 -0.561 -58.771 719 HA ASP 91 HA ASP 91 6.958 0.804 -60.342 720 HB2 ASP 91 HB2 ASP 91 4.557 1.505 -60.082 721 HB3 ASP 91 HB3 ASP 91 5.122 2.912 -59.194 722 H ASP 92 H ASP 92 8.497 0.879 -57.809 723 HA ASP 92 HA ASP 92 9.872 3.450 -57.792 724 HB2 ASP 92 HB2 ASP 92 11.350 2.412 -56.197 725 HB3 ASP 92 HB3 ASP 92 9.676 2.146 -55.752 726 H ASN 93 H ASN 93 12.114 3.755 -58.365 727 HA ASN 93 HA ASN 93 12.543 2.908 -61.046 728 HB2 ASN 93 HB2 ASN 93 13.144 5.137 -60.156 729 HB3 ASN 93 HB3 ASN 93 14.417 4.403 -59.174 730 HD21 ASN 93 HD22 ASN 93 13.338 4.924 -62.565 731 HD22 ASN 93 HD21 ASN 93 14.957 4.786 -63.236 732 H GLU 94 H GLU 94 13.824 1.457 -62.012 733 HA GLU 94 HA GLU 94 15.805 -0.166 -60.559 734 HB2 GLU 94 HB2 GLU 94 13.456 -1.122 -60.187 735 HB3 GLU 94 HB3 GLU 94 13.403 -1.463 -61.916 736 HG2 GLU 94 HG2 GLU 94 15.340 -2.984 -61.676 737 HG3 GLU 94 HG3 GLU 94 15.505 -2.531 -59.984 738 H LYS 95 H LYS 95 16.983 -1.622 -62.037 739 HA LYS 95 HA LYS 95 17.758 -0.454 -64.521 740 HB2 LYS 95 HB2 LYS 95 19.165 -2.394 -64.794 741 HB3 LYS 95 HB3 LYS 95 19.224 -1.844 -63.125 742 HG2 LYS 95 HG2 LYS 95 17.565 -3.680 -62.530 743 HG3 LYS 95 HG3 LYS 95 17.640 -4.222 -64.209 744 HD2 LYS 95 HD2 LYS 95 19.060 -5.633 -62.920 745 HD3 LYS 95 HD3 LYS 95 20.095 -4.628 -63.943 746 HE2 LYS 95 HE2 LYS 95 20.557 -3.140 -62.016 747 HE3 LYS 95 HE3 LYS 95 19.457 -4.077 -61.012 748 HZ1 LYS 95 HZ1 LYS 95 20.934 -5.990 -61.284 749 HZ2 LYS 95 HZ2 LYS 95 21.957 -5.123 -62.219 750 HZ3 LYS 95 HZ3 LYS 95 21.756 -4.737 -60.649 751 H ALA 96 H ALA 96 17.709 -1.363 -66.634 752 HA ALA 96 HA ALA 96 15.329 -2.983 -67.367 753 HB1 ALA 96 HB1 ALA 96 15.934 -0.196 -68.446 754 HB2 ALA 96 HB2 ALA 96 14.601 -1.251 -68.962 755 HB3 ALA 96 HB3 ALA 96 14.626 -0.605 -67.319 756 H LYS 97 H LYS 97 15.290 -3.242 -69.818 757 HA LYS 97 HA LYS 97 16.161 -4.442 -71.551 758 HB2 LYS 97 HB2 LYS 97 17.495 -3.042 -73.028 759 HB3 LYS 97 HB3 LYS 97 16.102 -2.232 -72.336 760 HG2 LYS 97 HG2 LYS 97 17.515 -0.949 -70.801 761 HG3 LYS 97 HG3 LYS 97 18.945 -1.857 -71.296 762 HD2 LYS 97 HD2 LYS 97 18.996 0.279 -72.399 763 HD3 LYS 97 HD3 LYS 97 18.729 -0.979 -73.593 764 HE2 LYS 97 HE2 LYS 97 17.315 0.831 -74.181 765 HE3 LYS 97 HE3 LYS 97 16.271 -0.437 -73.568 766 HZ1 LYS 97 HZ1 LYS 97 16.182 0.789 -71.439 767 HZ2 LYS 97 HZ2 LYS 97 17.158 1.956 -72.045 768 HZ3 LYS 97 HZ3 LYS 97 15.674 1.732 -72.667 769 HA PRO 98 HA PRO 98 20.006 -6.241 -69.680 770 HB2 PRO 98 HB2 PRO 98 19.131 -8.584 -68.665 771 HB3 PRO 98 HB3 PRO 98 18.850 -7.029 -67.835 772 HG2 PRO 98 HG2 PRO 98 16.925 -8.504 -69.667 773 HG3 PRO 98 HG3 PRO 98 16.615 -7.876 -68.017 774 HD2 PRO 98 HD2 PRO 98 15.978 -6.459 -70.275 775 HD3 PRO 98 HD3 PRO 98 16.517 -5.668 -68.765 776 H LYS 99 H LYS 99 20.222 -6.033 -72.051 777 HA LYS 99 HA LYS 99 20.620 -8.649 -73.413 778 HB2 LYS 99 HB2 LYS 99 19.332 -6.150 -74.603 779 HB3 LYS 99 HB3 LYS 99 19.915 -7.515 -75.553 780 HG2 LYS 99 HG2 LYS 99 18.328 -9.019 -74.340 781 HG3 LYS 99 HG3 LYS 99 17.668 -7.602 -73.498 782 HD2 LYS 99 HD2 LYS 99 17.046 -6.591 -75.673 783 HD3 LYS 99 HD3 LYS 99 17.720 -7.997 -76.522 784 HE2 LYS 99 HE2 LYS 99 16.103 -9.466 -75.325 785 HE3 LYS 99 HE3 LYS 99 15.412 -8.053 -74.537 786 HZ1 LYS 99 HZ1 LYS 99 14.130 -8.673 -76.491 787 HZ2 LYS 99 HZ2 LYS 99 14.799 -7.210 -76.747 788 HZ3 LYS 99 HZ3 LYS 99 15.427 -8.538 -77.465 789 H VAL 100 H VAL 100 22.171 -8.529 -75.160 790 HA VAL 100 HA VAL 100 24.563 -7.079 -74.467 791 HB VAL 100 HB VAL 100 25.522 -8.012 -76.529 792 HG11 VAL 100 HG11 VAL 100 25.494 -9.306 -74.417 793 HG12 VAL 100 HG12 VAL 100 23.969 -10.072 -74.907 794 HG13 VAL 100 HG13 VAL 100 25.447 -10.344 -75.848 795 HG21 VAL 100 HG21 VAL 100 22.771 -9.253 -77.009 796 HG22 VAL 100 HG22 VAL 100 23.550 -8.013 -78.017 797 HG23 VAL 100 HG23 VAL 100 24.262 -9.625 -77.891 798 H LEU 101 H LEU 101 25.720 -5.490 -75.604 799 HA LEU 101 HA LEU 101 23.984 -3.408 -76.715 800 HB2 LEU 101 HB2 LEU 101 26.936 -3.441 -75.992 801 HB3 LEU 101 HB3 LEU 101 26.077 -2.020 -76.560 802 HG LEU 101 HG LEU 101 25.448 -3.523 -73.981 803 HD11 LEU 101 HD11 LEU 101 26.402 -1.561 -72.868 804 HD12 LEU 101 HD12 LEU 101 27.604 -2.308 -73.931 805 HD13 LEU 101 HD13 LEU 101 26.778 -0.820 -74.440 806 HD21 LEU 101 HD21 LEU 101 24.332 -0.911 -75.101 807 HD22 LEU 101 HD22 LEU 101 23.423 -2.421 -74.841 808 HD23 LEU 101 HD23 LEU 101 24.053 -1.525 -73.458 809 HA PRO 102 HA PRO 102 25.051 -3.804 -81.021 810 HB2 PRO 102 HB2 PRO 102 25.418 -0.816 -81.034 811 HB3 PRO 102 HB3 PRO 102 24.454 -1.838 -82.141 812 HG2 PRO 102 HG2 PRO 102 23.226 -0.421 -80.193 813 HG3 PRO 102 HG3 PRO 102 22.742 -2.124 -80.490 814 HD2 PRO 102 HD2 PRO 102 24.632 -1.058 -78.371 815 HD3 PRO 102 HD3 PRO 102 23.262 -2.197 -78.201 816 H PHE 103 H PHE 103 26.737 -3.499 -82.629 817 HA PHE 103 HA PHE 103 29.434 -3.460 -81.487 818 HB2 PHE 103 HB2 PHE 103 30.154 -4.192 -83.687 819 HB3 PHE 103 HB3 PHE 103 28.865 -5.192 -83.055 820 HD1 PHE 103 HD2 PHE 103 29.804 -2.750 -85.663 821 HD2 PHE 103 HD1 PHE 103 26.637 -5.230 -84.111 822 HE1 PHE 103 HE2 PHE 103 28.506 -2.404 -87.746 823 HE2 PHE 103 HE1 PHE 103 25.341 -4.870 -86.193 824 HZ PHE 103 HZ PHE 103 26.269 -3.453 -88.009 825 H HIS 104 H HIS 104 31.192 -2.203 -82.276 826 HA HIS 104 HA HIS 104 30.458 0.609 -82.718 827 HB2 HIS 104 HB2 HIS 104 32.090 -0.158 -80.970 828 HB3 HIS 104 HB3 HIS 104 33.193 -0.622 -82.264 829 HD1 HIS 104 HD1 HIS 104 31.371 2.611 -81.079 830 HD2 HIS 104 HD2 HIS 104 34.879 1.267 -82.955 831 HE1 HIS 104 HE1 HIS 104 32.828 4.660 -81.410 832 H THR 105 H THR 105 31.415 1.958 -84.335 833 HA THR 105 HA THR 105 31.702 0.585 -86.928 834 HB THR 105 HB THR 105 30.149 2.392 -86.823 835 HG1 THR 105 HG1 THR 105 30.770 2.986 -88.705 836 HG21 THR 105 HG21 THR 105 30.815 4.724 -86.764 837 HG22 THR 105 HG22 THR 105 31.234 3.972 -85.218 838 HG23 THR 105 HG23 THR 105 32.502 4.289 -86.432 839 H ILE 106 H ILE 106 33.444 0.501 -88.182 840 HA ILE 106 HA ILE 106 36.000 1.742 -87.331 841 HB ILE 106 HB ILE 106 35.523 -0.375 -86.096 842 HG12 ILE 106 HG12 ILE 106 38.020 -0.706 -87.766 843 HG13 ILE 106 HG13 ILE 106 37.833 0.562 -86.541 844 HG21 ILE 106 HG21 ILE 106 35.698 -2.549 -87.166 845 HG22 ILE 106 HG22 ILE 106 34.395 -1.632 -87.915 846 HG23 ILE 106 HG23 ILE 106 35.953 -1.797 -88.752 847 HD11 ILE 106 HD11 ILE 106 37.694 -2.439 -86.037 848 HD12 ILE 106 HD12 ILE 106 38.999 -1.329 -85.582 849 HD13 ILE 106 HD13 ILE 106 37.409 -1.174 -84.816 850 H TYR 107 H TYR 107 34.143 1.775 -89.792 851 HA TYR 107 HA TYR 107 35.516 0.070 -91.693 852 HB2 TYR 107 HB2 TYR 107 32.888 1.518 -91.839 853 HB3 TYR 107 HB3 TYR 107 33.468 0.306 -92.995 854 HD1 TYR 107 HD1 TYR 107 34.102 -2.040 -92.049 855 HD2 TYR 107 HD2 TYR 107 31.690 0.831 -89.923 856 HE1 TYR 107 HE1 TYR 107 33.262 -3.850 -90.568 857 HE2 TYR 107 HE2 TYR 107 30.862 -0.989 -88.424 858 HH TYR 107 HH TYR 107 31.850 -4.338 -88.765 859 H CYS 108 H CYS 108 37.219 1.897 -91.340 860 HA CYS 108 HA CYS 108 38.642 3.438 -92.252 861 HB2 CYS 108 HB2 CYS 108 39.731 2.365 -94.072 862 HB3 CYS 108 HB3 CYS 108 39.070 1.149 -92.971 863 HG CYS 108 HG CYS 108 38.864 0.385 -95.494 864 H TYR 109 H TYR 109 36.122 4.724 -92.651 865 HA TYR 109 HA TYR 109 35.187 6.483 -93.617 866 HB2 TYR 109 HB2 TYR 109 37.509 7.362 -93.220 867 HB3 TYR 109 HB3 TYR 109 37.859 7.054 -94.912 868 HD1 TYR 109 HD1 TYR 109 35.246 8.795 -92.806 869 HD2 TYR 109 HD2 TYR 109 37.686 8.861 -96.362 870 HE1 TYR 109 HE1 TYR 109 34.394 11.067 -93.348 871 HE2 TYR 109 HE2 TYR 109 36.836 11.140 -96.897 872 HH TYR 109 HH TYR 109 34.524 12.838 -94.879 873 H ASN 110 H ASN 110 35.727 3.863 -95.309 874 HA ASN 110 HA ASN 110 34.681 4.861 -97.924 875 HB2 ASN 110 HB2 ASN 110 36.141 2.305 -97.150 876 HB3 ASN 110 HB3 ASN 110 35.499 2.638 -98.753 877 HD21 ASN 110 HD22 ASN 110 38.343 2.200 -98.032 878 HD22 ASN 110 HD21 ASN 110 39.174 3.683 -98.479 879 H CYS 111 H CYS 111 33.883 2.816 -95.178 880 HA CYS 111 HA CYS 111 31.097 2.620 -96.128 881 HB2 CYS 111 HB2 CYS 111 31.240 0.115 -95.337 882 HB3 CYS 111 HB3 CYS 111 31.728 0.596 -96.954 883 HG CYS 111 HG CYS 111 33.347 -1.240 -96.113 884 H GLY 112 H GLY 112 32.625 4.068 -93.875 885 HA2 GLY 112 HA2 GLY 112 30.574 4.472 -92.119 886 HA3 GLY 112 HA3 GLY 112 31.367 3.074 -91.412 887 H GLY 113 H GLY 113 32.389 3.865 -89.642 888 HA2 GLY 113 HA2 GLY 113 33.823 6.359 -89.373 889 HA3 GLY 113 HA3 GLY 113 33.875 4.960 -88.298 890 H LYS 114 H LYS 114 36.238 5.405 -88.111 891 HA LYS 114 HA LYS 114 37.831 4.622 -90.532 892 HB2 LYS 114 HB2 LYS 114 38.564 6.401 -88.187 893 HB3 LYS 114 HB3 LYS 114 39.712 5.831 -89.403 894 HG2 LYS 114 HG2 LYS 114 38.372 6.871 -91.197 895 HG3 LYS 114 HG3 LYS 114 37.226 7.494 -89.993 896 HD2 LYS 114 HD2 LYS 114 39.039 8.808 -88.938 897 HD3 LYS 114 HD3 LYS 114 40.193 8.182 -90.135 898 HE2 LYS 114 HE2 LYS 114 38.825 9.181 -91.955 899 HE3 LYS 114 HE3 LYS 114 37.696 9.812 -90.763 900 HZ1 LYS 114 HZ1 LYS 114 39.306 11.494 -91.428 901 HZ2 LYS 114 HZ2 LYS 114 39.510 11.155 -89.849 902 HZ3 LYS 114 HZ3 LYS 114 40.559 10.568 -90.956 903 H GLY 115 H GLY 115 39.689 3.301 -90.329 904 HA2 GLY 115 HA2 GLY 115 40.801 1.947 -88.304 905 HA3 GLY 115 HA3 GLY 115 39.261 1.114 -88.371 906 H HIS 116 H HIS 116 38.892 -0.381 -89.973 907 HA HIS 116 HA HIS 116 41.251 -1.829 -90.263 908 HB2 HIS 116 HB2 HIS 116 39.933 -3.673 -90.791 909 HB3 HIS 116 HB3 HIS 116 38.928 -2.689 -89.737 910 HD1 HIS 116 HD1 HIS 116 38.500 -4.692 -92.655 911 HD2 HIS 116 HD2 HIS 116 37.461 -0.749 -91.678 912 HE1 HIS 116 HE1 HIS 116 36.602 -4.044 -94.219 913 H PHE 117 H PHE 117 42.252 -2.934 -91.849 914 HA PHE 117 HA PHE 117 43.367 -3.227 -93.822 915 HB2 PHE 117 HB2 PHE 117 40.494 -3.569 -94.683 916 HB3 PHE 117 HB3 PHE 117 41.892 -4.335 -95.422 917 HD1 PHE 117 HD2 PHE 117 43.197 -5.023 -92.521 918 HD2 PHE 117 HD1 PHE 117 39.426 -5.730 -94.500 919 HE1 PHE 117 HE2 PHE 117 42.833 -7.030 -91.132 920 HE2 PHE 117 HE1 PHE 117 39.076 -7.742 -93.095 921 HZ PHE 117 HZ PHE 117 40.777 -8.391 -91.407 922 H GLY 118 H GLY 118 42.910 -0.329 -93.604 923 HA2 GLY 118 HA2 GLY 118 41.882 0.900 -95.844 924 HA3 GLY 118 HA3 GLY 118 43.172 1.575 -94.847 925 H ASP 119 H ASP 119 44.867 -0.844 -95.803 926 HA ASP 119 HA ASP 119 46.306 0.344 -97.965 927 HB2 ASP 119 HB2 ASP 119 47.159 -1.272 -96.253 928 HB3 ASP 119 HB3 ASP 119 46.179 -2.532 -96.985 929 H ASP 120 H ASP 120 43.646 -2.000 -97.936 930 HA ASP 120 HA ASP 120 43.610 -2.114-100.926 931 HB2 ASP 120 HB2 ASP 120 44.882 -4.025 -99.937 932 HB3 ASP 120 HB3 ASP 120 43.437 -4.499 -99.056 933 H CYS 121 H CYS 121 41.729 -2.109 -97.955 934 HA CYS 121 HA CYS 121 39.183 -2.626 -99.285 935 HB2 CYS 121 HB2 CYS 121 39.752 -3.310 -96.930 936 HB3 CYS 121 HB3 CYS 121 39.681 -1.601 -96.469 937 HG CYS 121 HG CYS 121 37.352 -3.436 -97.953 938 H LYS 122 H LYS 122 40.109 -0.911-100.822 939 HA LYS 122 HA LYS 122 38.815 1.724-100.476 940 HB2 LYS 122 HB2 LYS 122 41.098 1.946 -99.536 941 HB3 LYS 122 HB3 LYS 122 41.790 1.257-101.001 942 HG2 LYS 122 HG2 LYS 122 41.038 3.204-102.312 943 HG3 LYS 122 HG3 LYS 122 40.257 3.888-100.870 944 HD2 LYS 122 HD2 LYS 122 42.466 4.040 -99.755 945 HD3 LYS 122 HD3 LYS 122 43.238 3.297-101.170 946 HE2 LYS 122 HE2 LYS 122 42.431 5.186-102.578 947 HE3 LYS 122 HE3 LYS 122 41.721 5.938-101.155 948 HZ1 LYS 122 HZ1 LYS 122 43.948 6.119-100.205 949 HZ2 LYS 122 HZ2 LYS 122 44.616 5.379-101.501 950 HZ3 LYS 122 HZ3 LYS 122 43.922 6.842-101.664 951 H GLU 123 H GLU 123 38.264 2.679-102.392 952 HA GLU 123 HA GLU 123 38.928 1.240-104.961 953 HB2 GLU 123 HB2 GLU 123 36.337 2.616-104.186 954 HB3 GLU 123 HB3 GLU 123 36.726 1.955-105.781 955 HG2 GLU 123 HG2 GLU 123 36.956 -0.305-104.769 956 HG3 GLU 123 HG3 GLU 123 36.465 0.354-103.210 957 H LYS 124 H LYS 124 38.259 4.408-103.467 958 HA LYS 124 HA LYS 124 39.694 5.868-105.569 959 HB2 LYS 124 HB2 LYS 124 37.769 7.285-106.118 960 HB3 LYS 124 HB3 LYS 124 37.502 5.608-106.574 961 HG2 LYS 124 HG2 LYS 124 36.079 5.298-104.515 962 HG3 LYS 124 HG3 LYS 124 36.361 6.991-104.103 963 HD2 LYS 124 HD2 LYS 124 34.199 6.839-105.137 964 HD3 LYS 124 HD3 LYS 124 35.285 7.690-106.223 965 HE2 LYS 124 HE2 LYS 124 33.979 6.235-107.562 966 HE3 LYS 124 HE3 LYS 124 35.596 5.562-107.529 967 HZ1 LYS 124 HZ1 LYS 124 34.800 3.947-105.857 968 HZ2 LYS 124 HZ2 LYS 124 33.306 4.611-105.889 969 HZ3 LYS 124 HZ3 LYS 124 33.893 3.860-107.204 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -17.959 7.900 2.077 2 H2 LYS 1 H2 LYS 1 -18.621 6.738 1.145 3 H3 LYS 1 H3 LYS 1 -19.588 7.725 2.023 4 HA LYS 1 HA LYS 1 -17.849 8.522 -0.221 5 HB2 LYS 1 HB2 LYS 1 -19.910 7.212 -0.848 6 HB3 LYS 1 HB3 LYS 1 -20.889 8.552 -0.249 7 HG2 LYS 1 HG2 LYS 1 -19.763 10.070 -1.908 8 HG3 LYS 1 HG3 LYS 1 -18.739 8.725 -2.411 9 HD2 LYS 1 HD2 LYS 1 -20.438 8.883 -4.064 10 HD3 LYS 1 HD3 LYS 1 -20.784 7.457 -3.105 11 HE2 LYS 1 HE2 LYS 1 -22.873 8.462 -3.440 12 HE3 LYS 1 HE3 LYS 1 -22.457 8.866 -1.782 13 HZ1 LYS 1 HZ1 LYS 1 -23.309 10.792 -3.010 14 HZ2 LYS 1 HZ2 LYS 1 -21.775 11.069 -2.581 15 HZ3 LYS 1 HZ3 LYS 1 -22.113 10.678 -4.121 16 H GLU 2 H GLU 2 -20.673 9.902 1.608 17 HA GLU 2 HA GLU 2 -19.411 12.576 1.447 18 HB2 GLU 2 HB2 GLU 2 -22.073 11.763 2.650 19 HB3 GLU 2 HB3 GLU 2 -21.501 13.402 2.364 20 HG2 GLU 2 HG2 GLU 2 -22.282 11.314 0.308 21 HG3 GLU 2 HG3 GLU 2 -23.096 12.823 0.660 22 H ALA 3 H ALA 3 -18.949 13.876 3.265 23 HA ALA 3 HA ALA 3 -17.894 12.375 5.527 24 HB1 ALA 3 HB1 ALA 3 -17.700 15.326 4.849 25 HB2 ALA 3 HB2 ALA 3 -16.785 14.461 6.102 26 HB3 ALA 3 HB3 ALA 3 -16.531 14.058 4.400 27 H ALA 4 H ALA 4 -20.343 11.831 5.971 28 HA ALA 4 HA ALA 4 -21.848 13.482 7.750 29 HB1 ALA 4 HB1 ALA 4 -22.855 11.470 6.945 30 HB2 ALA 4 HB2 ALA 4 -21.525 10.457 7.522 31 HB3 ALA 4 HB3 ALA 4 -22.600 11.247 8.686 32 HA PRO 5 HA PRO 5 -19.030 12.082 11.352 33 HB2 PRO 5 HB2 PRO 5 -16.760 10.614 10.939 34 HB3 PRO 5 HB3 PRO 5 -18.374 9.879 11.127 35 HG2 PRO 5 HG2 PRO 5 -16.975 10.536 8.497 36 HG3 PRO 5 HG3 PRO 5 -17.709 8.977 9.014 37 HD2 PRO 5 HD2 PRO 5 -19.046 10.708 7.484 38 HD3 PRO 5 HD3 PRO 5 -19.867 9.849 8.825 39 H LYS 6 H LYS 6 -17.155 12.607 8.376 40 HA LYS 6 HA LYS 6 -15.030 13.238 8.025 41 HB2 LYS 6 HB2 LYS 6 -14.500 15.448 8.150 42 HB3 LYS 6 HB3 LYS 6 -16.235 15.466 8.043 43 HG2 LYS 6 HG2 LYS 6 -16.541 16.380 10.102 44 HG3 LYS 6 HG3 LYS 6 -15.187 15.519 10.837 45 HD2 LYS 6 HD2 LYS 6 -13.674 17.087 9.375 46 HD3 LYS 6 HD3 LYS 6 -15.117 18.095 9.235 47 HE2 LYS 6 HE2 LYS 6 -13.901 17.079 11.840 48 HE3 LYS 6 HE3 LYS 6 -13.532 18.651 11.151 49 HZ1 LYS 6 HZ1 LYS 6 -15.875 19.246 11.387 50 HZ2 LYS 6 HZ2 LYS 6 -16.235 17.778 12.015 51 HZ3 LYS 6 HZ3 LYS 6 -15.265 18.801 12.832 52 H CYS 7 H CYS 7 -12.988 14.460 9.545 53 HA CYS 7 HA CYS 7 -11.983 12.274 11.012 54 HB2 CYS 7 HB2 CYS 7 -11.316 15.207 10.925 55 HB3 CYS 7 HB3 CYS 7 -10.433 14.096 12.002 56 HG CYS 7 HG CYS 7 -10.927 13.639 8.782 57 H ASN 8 H ASN 8 -11.414 11.990 13.194 58 HA ASN 8 HA ASN 8 -13.658 11.934 14.903 59 HB2 ASN 8 HB2 ASN 8 -12.124 10.944 16.530 60 HB3 ASN 8 HB3 ASN 8 -11.816 10.246 14.953 61 HD21 ASN 8 HD22 ASN 8 -9.966 9.971 16.986 62 HD22 ASN 8 HD21 ASN 8 -8.547 10.915 16.539 63 H ASN 9 H ASN 9 -10.862 14.017 15.037 64 HA ASN 9 HA ASN 9 -12.082 16.065 16.770 65 HB2 ASN 9 HB2 ASN 9 -11.187 14.247 18.298 66 HB3 ASN 9 HB3 ASN 9 -9.598 14.462 17.568 67 HD21 ASN 9 HD22 ASN 9 -8.748 14.969 19.688 68 HD22 ASN 9 HD21 ASN 9 -9.072 16.541 20.408 69 H CYS 10 H CYS 10 -9.263 14.792 15.030 70 HA CYS 10 HA CYS 10 -8.127 17.224 14.003 71 HB2 CYS 10 HB2 CYS 10 -7.103 14.991 13.862 72 HB3 CYS 10 HB3 CYS 10 -8.466 14.380 12.934 73 HG CYS 10 HG CYS 10 -6.146 16.585 12.120 74 H SER 11 H SER 11 -8.466 17.858 11.623 75 HA SER 11 HA SER 11 -11.349 17.803 10.821 76 HB2 SER 11 HB2 SER 11 -9.615 20.247 11.198 77 HB3 SER 11 HB3 SER 11 -11.181 20.240 10.357 78 HG SER 11 HG SER 11 -11.326 20.636 12.638 79 H GLN 12 H GLN 12 -10.500 16.188 9.360 80 HA GLN 12 HA GLN 12 -10.284 17.557 6.760 81 HB2 GLN 12 HB2 GLN 12 -8.772 14.988 7.409 82 HB3 GLN 12 HB3 GLN 12 -8.978 15.695 5.804 83 HG2 GLN 12 HG2 GLN 12 -7.834 17.796 6.703 84 HG3 GLN 12 HG3 GLN 12 -7.390 16.844 8.124 85 HE21 GLN 12 HE22 GLN 12 -6.201 14.629 7.510 86 HE22 GLN 12 HE21 GLN 12 -5.056 14.778 6.187 87 H ARG 13 H ARG 13 -11.265 16.325 5.029 88 HA ARG 13 HA ARG 13 -13.763 15.020 5.826 89 HB2 ARG 13 HB2 ARG 13 -12.566 15.575 3.084 90 HB3 ARG 13 HB3 ARG 13 -14.205 15.004 3.389 91 HG2 ARG 13 HG2 ARG 13 -14.711 17.085 4.647 92 HG3 ARG 13 HG3 ARG 13 -13.068 17.675 4.332 93 HD2 ARG 13 HD2 ARG 13 -13.522 17.498 1.878 94 HD3 ARG 13 HD3 ARG 13 -15.198 17.065 2.251 95 HE ARG 13 HE ARG 13 -14.622 19.487 3.607 96 HH11 ARG 13 HH11 ARG 13 -14.947 18.450 0.264 97 HH12 ARG 13 HH12 ARG 13 -15.382 20.054 -0.285 98 HH21 ARG 13 HH21 ARG 13 -15.176 21.501 2.839 99 HH22 ARG 13 HH22 ARG 13 -15.523 21.729 1.144 100 H GLY 14 H GLY 14 -10.693 13.939 4.490 101 HA2 GLY 14 HA2 GLY 14 -11.478 11.132 4.123 102 HA3 GLY 14 HA3 GLY 14 -9.844 11.792 4.091 103 H HIS 15 H HIS 15 -9.767 9.586 5.289 104 HA HIS 15 HA HIS 15 -10.105 8.271 7.157 105 HB2 HIS 15 HB2 HIS 15 -8.139 8.295 8.425 106 HB3 HIS 15 HB3 HIS 15 -7.795 8.630 6.749 107 HD1 HIS 15 HD1 HIS 15 -5.555 9.234 8.649 108 HD2 HIS 15 HD2 HIS 15 -8.583 12.010 7.764 109 HE1 HIS 15 HE1 HIS 15 -4.589 11.526 9.137 110 H LEU 16 H LEU 16 -12.198 9.053 7.606 111 HA LEU 16 HA LEU 16 -12.819 10.942 9.579 112 HB2 LEU 16 HB2 LEU 16 -15.070 10.040 9.450 113 HB3 LEU 16 HB3 LEU 16 -14.365 10.344 7.884 114 HG LEU 16 HG LEU 16 -15.818 8.408 7.913 115 HD11 LEU 16 HD11 LEU 16 -13.027 7.362 7.403 116 HD12 LEU 16 HD12 LEU 16 -14.557 6.882 6.666 117 HD13 LEU 16 HD13 LEU 16 -13.904 8.488 6.321 118 HD21 LEU 16 HD21 LEU 16 -15.399 7.615 10.234 119 HD22 LEU 16 HD22 LEU 16 -15.338 6.341 9.011 120 HD23 LEU 16 HD23 LEU 16 -13.827 6.957 9.686 121 H LYS 17 H LYS 17 -14.468 10.140 11.438 122 HA LYS 17 HA LYS 17 -13.370 9.851 13.712 123 HB2 LYS 17 HB2 LYS 17 -15.889 9.570 13.019 124 HB3 LYS 17 HB3 LYS 17 -15.649 7.880 13.379 125 HG2 LYS 17 HG2 LYS 17 -15.166 10.240 15.244 126 HG3 LYS 17 HG3 LYS 17 -16.571 9.195 15.261 127 HD2 LYS 17 HD2 LYS 17 -13.735 8.360 16.022 128 HD3 LYS 17 HD3 LYS 17 -15.067 8.728 17.107 129 HE2 LYS 17 HE2 LYS 17 -16.384 6.854 16.003 130 HE3 LYS 17 HE3 LYS 17 -14.906 6.383 15.173 131 HZ1 LYS 17 HZ1 LYS 17 -15.205 5.142 17.235 132 HZ2 LYS 17 HZ2 LYS 17 -13.871 6.070 17.373 133 HZ3 LYS 17 HZ3 LYS 17 -15.257 6.504 18.118 134 H LYS 18 H LYS 18 -14.296 6.646 12.451 135 HA LYS 18 HA LYS 18 -12.476 5.215 14.201 136 HB2 LYS 18 HB2 LYS 18 -13.469 3.232 13.283 137 HB3 LYS 18 HB3 LYS 18 -14.731 4.410 13.629 138 HG2 LYS 18 HG2 LYS 18 -14.791 5.047 11.210 139 HG3 LYS 18 HG3 LYS 18 -13.570 3.816 10.866 140 HD2 LYS 18 HD2 LYS 18 -16.352 3.300 11.997 141 HD3 LYS 18 HD3 LYS 18 -15.860 3.087 10.313 142 HE2 LYS 18 HE2 LYS 18 -14.195 1.387 11.006 143 HE3 LYS 18 HE3 LYS 18 -14.694 1.571 12.684 144 HZ1 LYS 18 HZ1 LYS 18 -15.793 -0.316 11.644 145 HZ2 LYS 18 HZ2 LYS 18 -16.910 0.797 12.049 146 HZ3 LYS 18 HZ3 LYS 18 -16.452 0.625 10.490 147 H ASP 19 H ASP 19 -11.914 6.554 11.146 148 HA ASP 19 HA ASP 19 -9.739 4.673 10.402 149 HB2 ASP 19 HB2 ASP 19 -11.340 6.796 8.982 150 HB3 ASP 19 HB3 ASP 19 -9.722 6.426 8.418 151 H CYS 20 H CYS 20 -10.203 7.926 11.696 152 HA CYS 20 HA CYS 20 -7.864 9.151 10.988 153 HB2 CYS 20 HB2 CYS 20 -9.919 10.093 12.181 154 HB3 CYS 20 HB3 CYS 20 -9.145 9.624 13.702 155 HG CYS 20 HG CYS 20 -8.599 12.065 13.453 156 HA PRO 21 HA PRO 21 -5.242 7.489 14.527 157 HB2 PRO 21 HB2 PRO 21 -6.112 6.001 16.571 158 HB3 PRO 21 HB3 PRO 21 -6.642 7.702 16.408 159 HG2 PRO 21 HG2 PRO 21 -8.137 5.201 15.543 160 HG3 PRO 21 HG3 PRO 21 -8.749 6.566 16.530 161 HD2 PRO 21 HD2 PRO 21 -9.075 6.352 13.788 162 HD3 PRO 21 HD3 PRO 21 -9.037 7.900 14.679 163 H HIS 22 H HIS 22 -6.999 5.373 12.568 164 HA HIS 22 HA HIS 22 -6.051 2.869 13.645 165 HB2 HIS 22 HB2 HIS 22 -8.336 3.399 12.703 166 HB3 HIS 22 HB3 HIS 22 -7.615 3.324 11.095 167 HD1 HIS 22 HD1 HIS 22 -7.664 0.893 10.082 168 HD2 HIS 22 HD2 HIS 22 -7.956 1.043 14.269 169 HE1 HIS 22 HE1 HIS 22 -8.010 -1.500 10.861 170 H ILE 23 H ILE 23 -5.101 1.133 12.396 171 HA ILE 23 HA ILE 23 -2.979 2.021 10.485 172 HB ILE 23 HB ILE 23 -2.720 0.055 12.787 173 HG12 ILE 23 HG12 ILE 23 -1.529 2.821 12.302 174 HG13 ILE 23 HG13 ILE 23 -2.704 2.384 13.541 175 HG21 ILE 23 HG21 ILE 23 -1.416 -0.715 10.822 176 HG22 ILE 23 HG22 ILE 23 -0.643 0.889 10.713 177 HG23 ILE 23 HG23 ILE 23 -0.361 -0.176 12.105 178 HD11 ILE 23 HD11 ILE 23 0.212 1.566 13.455 179 HD12 ILE 23 HD12 ILE 23 -0.609 2.610 14.621 180 HD13 ILE 23 HD13 ILE 23 -0.984 0.875 14.587 181 H ILE 24 H ILE 24 -2.781 0.890 8.681 182 HA ILE 24 HA ILE 24 -4.325 -1.645 8.326 183 HB ILE 24 HB ILE 24 -3.814 0.307 6.075 184 HG12 ILE 24 HG12 ILE 24 -6.350 0.235 7.762 185 HG13 ILE 24 HG13 ILE 24 -5.145 1.522 7.823 186 HG21 ILE 24 HG21 ILE 24 -5.889 -1.899 6.517 187 HG22 ILE 24 HG22 ILE 24 -5.658 -0.977 5.021 188 HG23 ILE 24 HG23 ILE 24 -4.409 -2.089 5.566 189 HD11 ILE 24 HD11 ILE 24 -6.955 2.258 6.444 190 HD12 ILE 24 HD12 ILE 24 -5.516 2.035 5.435 191 HD13 ILE 24 HD13 ILE 24 -6.834 0.842 5.390 192 H CYS 25 H CYS 25 -2.111 -2.255 9.307 193 HA CYS 25 HA CYS 25 -0.025 -3.172 9.155 194 HB2 CYS 25 HB2 CYS 25 -1.171 -4.186 6.542 195 HB3 CYS 25 HB3 CYS 25 0.189 -4.898 7.422 196 HG CYS 25 HG CYS 25 -2.850 -4.387 8.564 197 H SER 26 H SER 26 0.472 -0.661 8.748 198 HA SER 26 HA SER 26 1.672 0.981 7.741 199 HB2 SER 26 HB2 SER 26 3.412 -1.322 6.850 200 HB3 SER 26 HB3 SER 26 3.874 0.390 6.885 201 HG SER 26 HG SER 26 4.382 -0.711 8.832 202 H TYR 27 H TYR 27 -0.528 0.528 6.416 203 HA TYR 27 HA TYR 27 -1.694 0.888 4.562 204 HB2 TYR 27 HB2 TYR 27 -0.207 2.965 4.729 205 HB3 TYR 27 HB3 TYR 27 0.685 2.315 3.367 206 HD1 TYR 27 HD1 TYR 27 -2.594 3.599 4.539 207 HD2 TYR 27 HD2 TYR 27 -0.281 2.374 1.113 208 HE1 TYR 27 HE1 TYR 27 -4.292 4.612 3.034 209 HE2 TYR 27 HE2 TYR 27 -1.996 3.365 -0.395 210 HH TYR 27 HH TYR 27 -4.875 4.991 0.817 211 H CYS 28 H CYS 28 -1.148 -1.616 4.536 212 HA CYS 28 HA CYS 28 0.126 -2.549 2.096 213 HB2 CYS 28 HB2 CYS 28 -0.603 -4.716 2.762 214 HB3 CYS 28 HB3 CYS 28 -0.080 -3.874 4.222 215 HG CYS 28 HG CYS 28 -3.134 -4.375 3.054 216 H GLY 29 H GLY 29 -3.128 -1.479 2.948 217 HA2 GLY 29 HA2 GLY 29 -4.127 -1.540 0.226 218 HA3 GLY 29 HA3 GLY 29 -4.641 -2.939 1.188 219 H ALA 30 H ALA 30 -6.777 -2.210 0.744 220 HA ALA 30 HA ALA 30 -7.841 0.179 2.071 221 HB1 ALA 30 HB1 ALA 30 -9.232 -2.190 0.749 222 HB2 ALA 30 HB2 ALA 30 -9.983 -0.648 1.206 223 HB3 ALA 30 HB3 ALA 30 -8.758 -0.685 -0.067 224 H THR 31 H THR 31 -9.840 -0.241 3.547 225 HA THR 31 HA THR 31 -9.043 -2.167 5.690 226 HB THR 31 HB THR 31 -8.833 0.205 6.221 227 HG1 THR 31 HG1 THR 31 -9.318 -1.231 7.866 228 HG21 THR 31 HG21 THR 31 -10.756 1.180 4.991 229 HG22 THR 31 HG22 THR 31 -11.872 0.297 6.081 230 HG23 THR 31 HG23 THR 31 -10.800 1.552 6.727 231 H ASP 32 H ASP 32 -11.701 -1.540 3.510 232 HA ASP 32 HA ASP 32 -13.587 -3.080 5.212 233 HB2 ASP 32 HB2 ASP 32 -14.261 -0.942 4.165 234 HB3 ASP 32 HB3 ASP 32 -14.070 -1.681 2.576 235 H ASP 33 H ASP 33 -12.050 -3.392 1.994 236 HA ASP 33 HA ASP 33 -12.999 -6.185 1.700 237 HB2 ASP 33 HB2 ASP 33 -11.305 -4.381 -0.051 238 HB3 ASP 33 HB3 ASP 33 -11.633 -6.065 -0.426 239 H HIS 34 H HIS 34 -11.020 -5.053 3.794 240 HA HIS 34 HA HIS 34 -8.432 -6.171 3.331 241 HB2 HIS 34 HB2 HIS 34 -9.017 -4.197 4.703 242 HB3 HIS 34 HB3 HIS 34 -9.843 -5.240 5.853 243 HD1 HIS 34 HD1 HIS 34 -8.357 -6.317 7.719 244 HD2 HIS 34 HD2 HIS 34 -6.253 -4.399 4.631 245 HE1 HIS 34 HE1 HIS 34 -5.947 -6.128 8.504 246 H TYR 35 H TYR 35 -7.702 -8.193 3.595 247 HA TYR 35 HA TYR 35 -8.565 -9.824 5.839 248 HB2 TYR 35 HB2 TYR 35 -10.191 -10.478 4.067 249 HB3 TYR 35 HB3 TYR 35 -8.848 -10.875 2.998 250 HD1 TYR 35 HD2 TYR 35 -9.749 -11.615 6.602 251 HD2 TYR 35 HD1 TYR 35 -8.637 -13.201 2.748 252 HE1 TYR 35 HE2 TYR 35 -9.677 -13.907 7.562 253 HE2 TYR 35 HE1 TYR 35 -8.589 -15.496 3.711 254 HH TYR 35 HH TYR 35 -8.891 -16.753 5.671 255 H SER 36 H SER 36 -7.046 -11.414 6.396 256 HA SER 36 HA SER 36 -4.391 -10.677 6.158 257 HB2 SER 36 HB2 SER 36 -5.512 -13.380 6.948 258 HB3 SER 36 HB3 SER 36 -3.937 -12.704 7.416 259 HG SER 36 HG SER 36 -5.570 -12.273 8.964 260 H ARG 37 H ARG 37 -6.120 -13.006 4.169 261 HA ARG 37 HA ARG 37 -3.773 -14.124 2.854 262 HB2 ARG 37 HB2 ARG 37 -5.979 -15.273 3.169 263 HB3 ARG 37 HB3 ARG 37 -6.699 -14.144 2.014 264 HG2 ARG 37 HG2 ARG 37 -5.172 -15.015 0.238 265 HG3 ARG 37 HG3 ARG 37 -4.428 -16.089 1.430 266 HD2 ARG 37 HD2 ARG 37 -6.006 -17.353 0.122 267 HD3 ARG 37 HD3 ARG 37 -6.615 -17.210 1.776 268 HE ARG 37 HE ARG 37 -7.656 -15.109 0.064 269 HH11 ARG 37 HH11 ARG 37 -8.227 -18.494 0.809 270 HH12 ARG 37 HH12 ARG 37 -9.889 -18.405 0.259 271 HH21 ARG 37 HH21 ARG 37 -9.682 -15.075 -0.604 272 HH22 ARG 37 HH22 ARG 37 -10.718 -16.488 -0.526 273 H HIS 38 H HIS 38 -5.803 -11.320 2.267 274 HA HIS 38 HA HIS 38 -4.821 -11.038 -0.521 275 HB2 HIS 38 HB2 HIS 38 -6.999 -9.512 0.926 276 HB3 HIS 38 HB3 HIS 38 -6.680 -9.520 -0.802 277 HD1 HIS 38 HD1 HIS 38 -9.453 -10.458 0.668 278 HD2 HIS 38 HD2 HIS 38 -6.438 -12.859 -0.990 279 HE1 HIS 38 HE1 HIS 38 -10.527 -12.698 0.176 280 H CYS 39 H CYS 39 -4.592 -9.427 2.551 281 HA CYS 39 HA CYS 39 -4.206 -7.039 2.769 282 HB2 CYS 39 HB2 CYS 39 -2.036 -9.028 3.323 283 HB3 CYS 39 HB3 CYS 39 -1.777 -7.313 3.704 284 HG CYS 39 HG CYS 39 -4.433 -9.075 4.581 285 HA PRO 40 HA PRO 40 -0.722 -5.217 0.343 286 HB2 PRO 40 HB2 PRO 40 1.204 -6.563 -1.026 287 HB3 PRO 40 HB3 PRO 40 1.197 -6.432 0.756 288 HG2 PRO 40 HG2 PRO 40 0.125 -8.725 -0.930 289 HG3 PRO 40 HG3 PRO 40 1.279 -8.809 0.441 290 HD2 PRO 40 HD2 PRO 40 -1.373 -9.229 0.826 291 HD3 PRO 40 HD3 PRO 40 -0.384 -8.323 2.010 292 H LYS 41 H LYS 41 -2.586 -7.563 -1.348 293 HA LYS 41 HA LYS 41 -1.972 -6.569 -4.061 294 HB2 LYS 41 HB2 LYS 41 -3.695 -8.902 -3.144 295 HB3 LYS 41 HB3 LYS 41 -3.282 -8.502 -4.813 296 HG2 LYS 41 HG2 LYS 41 -0.854 -8.822 -4.264 297 HG3 LYS 41 HG3 LYS 41 -1.312 -9.297 -2.626 298 HD2 LYS 41 HD2 LYS 41 -0.892 -11.293 -3.907 299 HD3 LYS 41 HD3 LYS 41 -2.594 -11.202 -3.488 300 HE2 LYS 41 HE2 LYS 41 -2.443 -11.991 -5.732 301 HE3 LYS 41 HE3 LYS 41 -3.107 -10.369 -5.788 302 HZ1 LYS 41 HZ1 LYS 41 -1.389 -10.706 -7.470 303 HZ2 LYS 41 HZ2 LYS 41 -0.881 -9.564 -6.427 304 HZ3 LYS 41 HZ3 LYS 41 -0.276 -11.084 -6.348 305 H ALA 42 H ALA 42 -3.292 -4.738 -2.355 306 HA ALA 42 HA ALA 42 -6.158 -4.791 -3.148 307 HB1 ALA 42 HB1 ALA 42 -5.598 -4.975 -0.794 308 HB2 ALA 42 HB2 ALA 42 -4.625 -3.491 -0.890 309 HB3 ALA 42 HB3 ALA 42 -6.400 -3.421 -1.098 310 H ILE 43 H ILE 43 -3.400 -2.480 -3.210 311 HA ILE 43 HA ILE 43 -5.199 -0.458 -4.494 312 HB ILE 43 HB ILE 43 -3.258 -0.091 -2.208 313 HG12 ILE 43 HG12 ILE 43 -6.231 0.495 -2.605 314 HG13 ILE 43 HG13 ILE 43 -5.558 -0.821 -1.651 315 HG21 ILE 43 HG21 ILE 43 -3.617 2.333 -2.366 316 HG22 ILE 43 HG22 ILE 43 -2.860 1.754 -3.832 317 HG23 ILE 43 HG23 ILE 43 -4.603 2.121 -3.828 318 HD11 ILE 43 HD11 ILE 43 -5.400 2.143 -1.001 319 HD12 ILE 43 HD12 ILE 43 -6.297 0.882 -0.155 320 HD13 ILE 43 HD13 ILE 43 -4.518 0.870 -0.118 321 H GLN 44 H GLN 44 -4.627 0.358 -6.265 322 HA GLN 44 HA GLN 44 -1.827 0.635 -7.148 323 HB2 GLN 44 HB2 GLN 44 -4.000 -0.814 -8.713 324 HB3 GLN 44 HB3 GLN 44 -2.483 -0.242 -9.405 325 HG2 GLN 44 HG2 GLN 44 -1.223 -1.692 -7.791 326 HG3 GLN 44 HG3 GLN 44 -2.755 -2.330 -7.197 327 HE21 GLN 44 HE22 GLN 44 -0.910 -4.132 -8.160 328 HE22 GLN 44 HE21 GLN 44 -1.486 -4.760 -9.702 329 H CYS 45 H CYS 45 -1.645 2.169 -8.946 330 HA CYS 45 HA CYS 45 -3.599 4.342 -8.860 331 HB2 CYS 45 HB2 CYS 45 -1.156 4.750 -8.950 332 HB3 CYS 45 HB3 CYS 45 -1.076 3.931 -10.518 333 HG CYS 45 HG CYS 45 -2.650 6.654 -9.572 334 H SER 46 H SER 46 -4.949 5.008 -10.550 335 HA SER 46 HA SER 46 -6.226 3.015 -12.107 336 HB2 SER 46 HB2 SER 46 -7.320 5.058 -13.144 337 HB3 SER 46 HB3 SER 46 -7.405 4.968 -11.376 338 HG SER 46 HG SER 46 -6.681 6.995 -12.254 339 H LYS 47 H LYS 47 -3.819 5.474 -13.054 340 HA LYS 47 HA LYS 47 -3.478 4.136 -15.720 341 HB2 LYS 47 HB2 LYS 47 -3.181 7.075 -14.998 342 HB3 LYS 47 HB3 LYS 47 -2.807 6.393 -16.567 343 HG2 LYS 47 HG2 LYS 47 -5.555 6.490 -15.260 344 HG3 LYS 47 HG3 LYS 47 -4.981 7.500 -16.572 345 HD2 LYS 47 HD2 LYS 47 -5.500 4.500 -16.718 346 HD3 LYS 47 HD3 LYS 47 -6.483 5.790 -17.409 347 HE2 LYS 47 HE2 LYS 47 -4.581 6.453 -18.871 348 HE3 LYS 47 HE3 LYS 47 -3.620 5.135 -18.209 349 HZ1 LYS 47 HZ1 LYS 47 -6.148 4.812 -19.728 350 HZ2 LYS 47 HZ2 LYS 47 -4.655 4.478 -20.285 351 HZ3 LYS 47 HZ3 LYS 47 -5.290 3.579 -19.084 352 H CYS 48 H CYS 48 -1.804 4.710 -12.828 353 HA CYS 48 HA CYS 48 0.796 4.187 -14.219 354 HB2 CYS 48 HB2 CYS 48 0.433 5.545 -11.527 355 HB3 CYS 48 HB3 CYS 48 1.935 5.301 -12.422 356 HG CYS 48 HG CYS 48 1.187 6.689 -14.553 357 H ASP 49 H ASP 49 -1.434 2.421 -12.807 358 HA ASP 49 HA ASP 49 -1.578 0.361 -12.035 359 HB2 ASP 49 HB2 ASP 49 1.151 0.134 -13.307 360 HB3 ASP 49 HB3 ASP 49 0.127 -1.225 -12.880 361 H GLU 50 H GLU 50 0.519 2.155 -10.142 362 HA GLU 50 HA GLU 50 0.407 0.004 -8.066 363 HB2 GLU 50 HB2 GLU 50 2.836 1.729 -8.664 364 HB3 GLU 50 HB3 GLU 50 2.640 0.657 -7.272 365 HG2 GLU 50 HG2 GLU 50 2.405 -1.281 -8.832 366 HG3 GLU 50 HG3 GLU 50 2.788 -0.208 -10.177 367 H VAL 51 H VAL 51 0.176 0.663 -5.977 368 HA VAL 51 HA VAL 51 -0.469 1.775 -4.194 369 HB VAL 51 HB VAL 51 1.226 3.557 -3.525 370 HG11 VAL 51 HG11 VAL 51 1.353 1.183 -2.914 371 HG12 VAL 51 HG12 VAL 51 2.144 0.807 -4.458 372 HG13 VAL 51 HG13 VAL 51 2.959 1.839 -3.263 373 HG21 VAL 51 HG21 VAL 51 3.197 3.819 -4.852 374 HG22 VAL 51 HG22 VAL 51 2.664 2.625 -6.047 375 HG23 VAL 51 HG23 VAL 51 1.827 4.186 -5.921 376 H GLY 52 H GLY 52 -1.260 3.815 -6.805 377 HA2 GLY 52 HA2 GLY 52 -3.586 4.699 -6.421 378 HA3 GLY 52 HA3 GLY 52 -3.012 5.385 -4.911 379 H HIS 53 H HIS 53 -4.134 7.277 -6.199 380 HA HIS 53 HA HIS 53 -2.186 8.569 -8.052 381 HB2 HIS 53 HB2 HIS 53 -4.691 7.682 -8.646 382 HB3 HIS 53 HB3 HIS 53 -5.038 9.347 -8.239 383 HD1 HIS 53 HD1 HIS 53 -5.032 7.882 -11.226 384 HD2 HIS 53 HD2 HIS 53 -2.145 10.476 -9.631 385 HE1 HIS 53 HE1 HIS 53 -3.805 8.877 -13.195 386 H TYR 54 H TYR 54 -3.174 9.102 -4.912 387 HA TYR 54 HA TYR 54 -3.170 12.056 -5.129 388 HB2 TYR 54 HB2 TYR 54 -4.652 11.048 -3.503 389 HB3 TYR 54 HB3 TYR 54 -3.300 10.235 -2.725 390 HD1 TYR 54 HD1 TYR 54 -4.445 13.715 -3.677 391 HD2 TYR 54 HD2 TYR 54 -2.298 11.231 -0.891 392 HE1 TYR 54 HE1 TYR 54 -3.983 15.708 -2.266 393 HE2 TYR 54 HE2 TYR 54 -1.806 13.239 0.513 394 HH TYR 54 HH TYR 54 -2.935 16.461 -0.311 395 H ARG 55 H ARG 55 -1.557 13.398 -4.105 396 HA ARG 55 HA ARG 55 0.965 12.801 -5.173 397 HB2 ARG 55 HB2 ARG 55 1.737 14.893 -4.182 398 HB3 ARG 55 HB3 ARG 55 0.182 15.066 -4.983 399 HG2 ARG 55 HG2 ARG 55 -0.996 15.112 -2.858 400 HG3 ARG 55 HG3 ARG 55 0.487 14.756 -1.956 401 HD2 ARG 55 HD2 ARG 55 0.072 17.232 -3.679 402 HD3 ARG 55 HD3 ARG 55 -0.245 17.187 -1.956 403 HE ARG 55 HE ARG 55 2.365 17.294 -3.281 404 HH11 ARG 55 HH11 ARG 55 0.791 16.598 -0.220 405 HH12 ARG 55 HH12 ARG 55 2.266 16.835 0.693 406 HH21 ARG 55 HH21 ARG 55 4.206 17.547 -2.070 407 HH22 ARG 55 HH22 ARG 55 4.153 17.348 -0.337 408 H SER 56 H SER 56 -0.002 12.046 -1.896 409 HA SER 56 HA SER 56 2.748 11.695 -0.941 410 HB2 SER 56 HB2 SER 56 1.664 10.820 1.062 411 HB3 SER 56 HB3 SER 56 0.867 12.323 0.549 412 HG SER 56 HG SER 56 -0.583 10.559 0.965 413 H GLN 57 H GLN 57 0.646 9.764 -2.870 414 HA GLN 57 HA GLN 57 2.206 7.292 -2.272 415 HB2 GLN 57 HB2 GLN 57 0.187 5.993 -2.303 416 HB3 GLN 57 HB3 GLN 57 0.086 7.258 -1.091 417 HG2 GLN 57 HG2 GLN 57 -1.283 8.625 -2.791 418 HG3 GLN 57 HG3 GLN 57 -1.355 7.146 -3.766 419 HE21 GLN 57 HE22 GLN 57 -2.212 5.141 -2.487 420 HE22 GLN 57 HE21 GLN 57 -3.429 5.454 -1.261 421 H CYS 58 H CYS 58 0.897 9.269 -4.857 422 HA CYS 58 HA CYS 58 0.910 7.264 -6.877 423 HB2 CYS 58 HB2 CYS 58 -0.255 9.507 -6.897 424 HB3 CYS 58 HB3 CYS 58 1.314 10.263 -7.210 425 HG CYS 58 HG CYS 58 1.812 8.970 -9.425 426 HA PRO 59 HA PRO 59 5.294 6.711 -7.543 427 HB2 PRO 59 HB2 PRO 59 4.464 6.139 -10.385 428 HB3 PRO 59 HB3 PRO 59 5.580 5.222 -9.328 429 HG2 PRO 59 HG2 PRO 59 3.047 4.347 -9.698 430 HG3 PRO 59 HG3 PRO 59 3.752 4.345 -8.048 431 HD2 PRO 59 HD2 PRO 59 1.895 6.387 -9.293 432 HD3 PRO 59 HD3 PRO 59 1.809 5.609 -7.685 433 H HIS 60 H HIS 60 6.989 7.990 -8.115 434 HA HIS 60 HA HIS 60 6.447 10.534 -9.556 435 HB2 HIS 60 HB2 HIS 60 8.707 9.639 -7.734 436 HB3 HIS 60 HB3 HIS 60 8.671 11.174 -8.583 437 HD1 HIS 60 HD1 HIS 60 5.465 9.972 -6.770 438 HD2 HIS 60 HD2 HIS 60 8.730 12.576 -6.341 439 HE1 HIS 60 HE1 HIS 60 4.920 11.462 -4.816 440 H LYS 61 H LYS 61 7.658 11.230 -11.317 441 HA LYS 61 HA LYS 61 9.515 9.255 -12.581 442 HB2 LYS 61 HB2 LYS 61 8.661 9.770 -14.745 443 HB3 LYS 61 HB3 LYS 61 7.396 9.220 -13.679 444 HG2 LYS 61 HG2 LYS 61 6.475 10.894 -15.025 445 HG3 LYS 61 HG3 LYS 61 6.604 11.591 -13.413 446 HD2 LYS 61 HD2 LYS 61 8.457 13.005 -14.101 447 HD3 LYS 61 HD3 LYS 61 8.698 12.055 -15.575 448 HE2 LYS 61 HE2 LYS 61 7.658 14.114 -16.189 449 HE3 LYS 61 HE3 LYS 61 6.524 12.803 -16.449 450 HZ1 LYS 61 HZ1 LYS 61 5.411 13.432 -14.376 451 HZ2 LYS 61 HZ2 LYS 61 6.486 14.642 -14.120 452 HZ3 LYS 61 HZ3 LYS 61 5.468 14.701 -15.387 453 H TRP 62 H TRP 62 9.701 12.200 -11.164 454 HA TRP 62 HA TRP 62 11.945 13.062 -12.937 455 HB2 TRP 62 HB2 TRP 62 10.063 14.677 -12.453 456 HB3 TRP 62 HB3 TRP 62 10.617 14.715 -10.786 457 HD1 TRP 62 HD1 TRP 62 12.717 14.917 -14.052 458 HE1 TRP 62 HE1 TRP 62 13.964 17.131 -14.130 459 HE3 TRP 62 HE3 TRP 62 10.880 17.040 -9.768 460 HZ2 TRP 62 HZ2 TRP 62 14.052 19.588 -12.647 461 HZ3 TRP 62 HZ3 TRP 62 11.525 19.361 -9.169 462 HH2 TRP 62 HH2 TRP 62 13.088 20.645 -10.602 463 H LYS 63 H LYS 63 13.936 13.752 -11.911 464 HA LYS 63 HA LYS 63 14.644 11.505 -10.138 465 HB2 LYS 63 HB2 LYS 63 16.439 13.166 -11.925 466 HB3 LYS 63 HB3 LYS 63 16.831 11.636 -11.154 467 HG2 LYS 63 HG2 LYS 63 14.791 12.070 -13.374 468 HG3 LYS 63 HG3 LYS 63 16.369 11.306 -13.511 469 HD2 LYS 63 HD2 LYS 63 15.633 9.462 -12.030 470 HD3 LYS 63 HD3 LYS 63 14.026 10.212 -11.883 471 HE2 LYS 63 HE2 LYS 63 13.701 10.043 -14.317 472 HE3 LYS 63 HE3 LYS 63 15.298 9.327 -14.500 473 HZ1 LYS 63 HZ1 LYS 63 13.567 7.635 -14.450 474 HZ2 LYS 63 HZ2 LYS 63 14.544 7.442 -13.164 475 HZ3 LYS 63 HZ3 LYS 63 13.060 8.108 -12.976 476 H LYS 64 H LYS 64 14.219 14.696 -9.470 477 HA LYS 64 HA LYS 64 15.996 14.488 -7.080 478 HB2 LYS 64 HB2 LYS 64 16.300 16.878 -7.027 479 HB3 LYS 64 HB3 LYS 64 16.935 16.183 -8.511 480 HG2 LYS 64 HG2 LYS 64 14.993 17.014 -9.783 481 HG3 LYS 64 HG3 LYS 64 14.227 17.576 -8.295 482 HD2 LYS 64 HD2 LYS 64 15.213 19.478 -9.435 483 HD3 LYS 64 HD3 LYS 64 16.034 19.186 -7.913 484 HE2 LYS 64 HE2 LYS 64 17.694 19.743 -9.520 485 HE3 LYS 64 HE3 LYS 64 17.887 18.041 -9.151 486 HZ1 LYS 64 HZ1 LYS 64 16.525 19.142 -11.551 487 HZ2 LYS 64 HZ2 LYS 64 18.005 18.471 -11.537 488 HZ3 LYS 64 HZ3 LYS 64 16.699 17.543 -11.240 489 H VAL 65 H VAL 65 15.254 15.367 -5.153 490 HA VAL 65 HA VAL 65 12.274 15.339 -4.876 491 HB VAL 65 HB VAL 65 12.525 13.976 -2.863 492 HG11 VAL 65 HG11 VAL 65 13.850 12.683 -5.277 493 HG12 VAL 65 HG12 VAL 65 13.005 11.871 -3.947 494 HG13 VAL 65 HG13 VAL 65 12.101 12.915 -5.055 495 HG21 VAL 65 HG21 VAL 65 15.461 13.682 -3.645 496 HG22 VAL 65 HG22 VAL 65 14.857 14.584 -2.228 497 HG23 VAL 65 HG23 VAL 65 14.616 12.838 -2.336 498 H GLN 66 H GLN 66 13.888 17.701 -4.976 499 HA GLN 66 HA GLN 66 14.086 19.717 -4.058 500 HB2 GLN 66 HB2 GLN 66 11.589 19.178 -3.950 501 HB3 GLN 66 HB3 GLN 66 11.796 19.002 -2.217 502 HG2 GLN 66 HG2 GLN 66 10.905 21.190 -2.791 503 HG3 GLN 66 HG3 GLN 66 12.483 21.386 -2.053 504 HE21 GLN 66 HE22 GLN 66 10.751 21.391 -5.227 505 HE22 GLN 66 HE21 GLN 66 11.946 22.411 -6.019 506 H CYS 67 H CYS 67 15.268 17.274 -2.336 507 HA CYS 67 HA CYS 67 16.074 18.781 0.079 508 HB2 CYS 67 HB2 CYS 67 16.879 16.050 -0.976 509 HB3 CYS 67 HB3 CYS 67 17.340 16.720 0.592 510 HG CYS 67 HG CYS 67 14.260 16.235 -0.496 511 H THR 68 H THR 68 17.023 19.059 -2.999 512 HA THR 68 HA THR 68 18.744 19.485 -4.271 513 HB THR 68 HB THR 68 18.842 21.470 -2.916 514 HG1 THR 68 HG1 THR 68 20.764 21.989 -3.844 515 HG21 THR 68 HG21 THR 68 21.173 20.156 -1.454 516 HG22 THR 68 HG22 THR 68 20.865 21.902 -1.517 517 HG23 THR 68 HG23 THR 68 19.695 20.857 -0.734 518 H LEU 69 H LEU 69 20.090 17.840 -1.407 519 HA LEU 69 HA LEU 69 22.067 16.539 -3.188 520 HB2 LEU 69 HB2 LEU 69 23.371 16.003 -1.306 521 HB3 LEU 69 HB3 LEU 69 23.076 17.706 -1.411 522 HG LEU 69 HG LEU 69 23.119 16.356 0.862 523 HD11 LEU 69 HD11 LEU 69 21.961 18.153 1.965 524 HD12 LEU 69 HD12 LEU 69 22.950 18.785 0.650 525 HD13 LEU 69 HD13 LEU 69 21.184 18.655 0.448 526 HD21 LEU 69 HD21 LEU 69 20.953 15.964 1.856 527 HD22 LEU 69 HD22 LEU 69 20.128 16.340 0.335 528 HD23 LEU 69 HD23 LEU 69 21.187 14.898 0.474 529 H CYS 70 H CYS 70 19.071 15.752 -2.615 530 HA CYS 70 HA CYS 70 19.663 12.818 -2.462 531 HB2 CYS 70 HB2 CYS 70 17.076 14.215 -1.715 532 HB3 CYS 70 HB3 CYS 70 17.331 12.476 -1.767 533 HG CYS 70 HG CYS 70 19.073 14.634 0.011 534 H LYS 71 H LYS 71 18.766 11.469 -3.914 535 HA LYS 71 HA LYS 71 17.462 12.592 -6.361 536 HB2 LYS 71 HB2 LYS 71 19.053 10.015 -6.062 537 HB3 LYS 71 HB3 LYS 71 18.364 10.650 -7.550 538 HG2 LYS 71 HG2 LYS 71 20.646 11.885 -5.960 539 HG3 LYS 71 HG3 LYS 71 20.759 11.009 -7.481 540 HD2 LYS 71 HD2 LYS 71 19.391 12.779 -8.596 541 HD3 LYS 71 HD3 LYS 71 19.365 13.692 -7.071 542 HE2 LYS 71 HE2 LYS 71 21.854 13.737 -7.079 543 HE3 LYS 71 HE3 LYS 71 21.861 12.875 -8.611 544 HZ1 LYS 71 HZ1 LYS 71 20.686 15.566 -8.179 545 HZ2 LYS 71 HZ2 LYS 71 22.090 15.259 -8.943 546 HZ3 LYS 71 HZ3 LYS 71 20.691 14.763 -9.609 547 H SER 72 H SER 72 16.156 10.695 -7.443 548 HA SER 72 HA SER 72 13.921 9.970 -5.776 549 HB2 SER 72 HB2 SER 72 13.304 8.647 -7.835 550 HB3 SER 72 HB3 SER 72 13.640 10.363 -8.142 551 HG SER 72 HG SER 72 14.748 8.743 -9.512 552 H LYS 73 H LYS 73 16.871 8.237 -6.738 553 HA LYS 73 HA LYS 73 16.047 5.697 -5.495 554 HB2 LYS 73 HB2 LYS 73 18.406 6.657 -7.077 555 HB3 LYS 73 HB3 LYS 73 18.721 5.397 -5.895 556 HG2 LYS 73 HG2 LYS 73 16.933 3.995 -6.841 557 HG3 LYS 73 HG3 LYS 73 16.616 5.223 -8.081 558 HD2 LYS 73 HD2 LYS 73 18.855 4.963 -8.995 559 HD3 LYS 73 HD3 LYS 73 19.334 3.873 -7.695 560 HE2 LYS 73 HE2 LYS 73 17.104 3.282 -9.684 561 HE3 LYS 73 HE3 LYS 73 18.774 2.780 -9.902 562 HZ1 LYS 73 HZ1 LYS 73 17.517 0.999 -8.920 563 HZ2 LYS 73 HZ2 LYS 73 18.600 1.512 -7.823 564 HZ3 LYS 73 HZ3 LYS 73 17.021 1.916 -7.671 565 H LYS 74 H LYS 74 17.233 4.660 -3.868 566 HA LYS 74 HA LYS 74 17.756 4.416 -1.686 567 HB2 LYS 74 HB2 LYS 74 20.011 4.985 -1.147 568 HB3 LYS 74 HB3 LYS 74 19.886 4.430 -2.806 569 HG2 LYS 74 HG2 LYS 74 20.128 6.705 -3.658 570 HG3 LYS 74 HG3 LYS 74 20.079 7.367 -2.009 571 HD2 LYS 74 HD2 LYS 74 22.181 6.129 -1.476 572 HD3 LYS 74 HD3 LYS 74 22.183 5.453 -3.105 573 HE2 LYS 74 HE2 LYS 74 23.725 7.255 -3.126 574 HE3 LYS 74 HE3 LYS 74 22.317 7.767 -4.043 575 HZ1 LYS 74 HZ1 LYS 74 23.076 9.500 -2.533 576 HZ2 LYS 74 HZ2 LYS 74 21.590 9.021 -2.067 577 HZ3 LYS 74 HZ3 LYS 74 22.913 8.531 -1.236 578 H HIS 75 H HIS 75 15.775 6.430 -1.877 579 HA HIS 75 HA HIS 75 16.499 8.273 0.355 580 HB2 HIS 75 HB2 HIS 75 15.895 9.220 -1.869 581 HB3 HIS 75 HB3 HIS 75 14.280 8.533 -1.691 582 HD1 HIS 75 HD1 HIS 75 12.601 10.134 -0.437 583 HD2 HIS 75 HD2 HIS 75 16.662 10.956 0.252 584 HE1 HIS 75 HE1 HIS 75 12.678 12.266 0.954 585 H SER 76 H SER 76 15.762 7.845 2.296 586 HA SER 76 HA SER 76 13.011 6.796 2.729 587 HB2 SER 76 HB2 SER 76 15.534 5.591 3.915 588 HB3 SER 76 HB3 SER 76 13.879 5.212 4.430 589 HG SER 76 HG SER 76 14.661 3.799 2.802 590 H LYS 77 H LYS 77 12.027 7.561 4.532 591 HA LYS 77 HA LYS 77 12.832 10.114 5.435 592 HB2 LYS 77 HB2 LYS 77 10.702 8.165 6.397 593 HB3 LYS 77 HB3 LYS 77 10.965 9.706 7.190 594 HG2 LYS 77 HG2 LYS 77 9.152 9.935 5.681 595 HG3 LYS 77 HG3 LYS 77 10.492 10.936 5.133 596 HD2 LYS 77 HD2 LYS 77 11.028 9.360 3.354 597 HD3 LYS 77 HD3 LYS 77 9.817 8.204 3.940 598 HE2 LYS 77 HE2 LYS 77 9.202 11.028 2.975 599 HE3 LYS 77 HE3 LYS 77 9.167 9.612 1.936 600 HZ1 LYS 77 HZ1 LYS 77 7.434 10.002 4.313 601 HZ2 LYS 77 HZ2 LYS 77 6.963 10.108 2.758 602 HZ3 LYS 77 HZ3 LYS 77 7.432 8.672 3.359 603 H GLU 78 H GLU 78 13.134 7.015 7.119 604 HA GLU 78 HA GLU 78 14.284 8.213 9.525 605 HB2 GLU 78 HB2 GLU 78 14.012 5.328 8.612 606 HB3 GLU 78 HB3 GLU 78 14.619 5.829 10.193 607 HG2 GLU 78 HG2 GLU 78 12.467 6.993 10.645 608 HG3 GLU 78 HG3 GLU 78 11.836 6.413 9.110 609 H ARG 79 H ARG 79 15.651 7.534 6.509 610 HA ARG 79 HA ARG 79 18.406 7.122 7.617 611 HB2 ARG 79 HB2 ARG 79 17.409 6.586 4.800 612 HB3 ARG 79 HB3 ARG 79 18.994 6.205 5.449 613 HG2 ARG 79 HG2 ARG 79 16.351 4.924 6.245 614 HG3 ARG 79 HG3 ARG 79 17.630 4.191 5.293 615 HD2 ARG 79 HD2 ARG 79 17.851 4.998 8.223 616 HD3 ARG 79 HD3 ARG 79 17.558 3.372 7.612 617 HE ARG 79 HE ARG 79 19.948 4.326 6.400 618 HH11 ARG 79 HH11 ARG 79 18.847 3.295 9.574 619 HH12 ARG 79 HH12 ARG 79 20.439 2.747 10.052 620 HH21 ARG 79 HH21 ARG 79 21.951 3.614 7.073 621 HH22 ARG 79 HH22 ARG 79 22.148 2.932 8.667 622 H CYS 80 H CYS 80 16.500 9.338 5.680 623 HA CYS 80 HA CYS 80 18.374 10.766 4.304 624 HB2 CYS 80 HB2 CYS 80 15.929 11.080 4.250 625 HB3 CYS 80 HB3 CYS 80 15.984 11.929 5.798 626 HG CYS 80 HG CYS 80 17.622 13.842 4.976 627 HA PRO 81 HA PRO 81 19.898 13.471 7.902 628 HB2 PRO 81 HB2 PRO 81 19.291 12.971 10.510 629 HB3 PRO 81 HB3 PRO 81 18.227 13.921 9.431 630 HG2 PRO 81 HG2 PRO 81 17.999 10.979 10.148 631 HG3 PRO 81 HG3 PRO 81 16.716 12.229 10.179 632 HD2 PRO 81 HD2 PRO 81 17.030 10.540 8.080 633 HD3 PRO 81 HD3 PRO 81 16.530 12.241 7.849 634 H SER 82 H SER 82 19.593 10.024 8.605 635 HA SER 82 HA SER 82 22.092 9.803 10.061 636 HB2 SER 82 HB2 SER 82 20.152 7.679 9.117 637 HB3 SER 82 HB3 SER 82 21.414 7.487 10.350 638 HG SER 82 HG SER 82 19.335 8.051 11.202 639 H ILE 83 H ILE 83 21.741 10.118 6.859 640 HA ILE 83 HA ILE 83 22.996 7.842 5.766 641 HB ILE 83 HB ILE 83 21.435 9.463 4.673 642 HG12 ILE 83 HG12 ILE 83 23.938 8.964 3.029 643 HG13 ILE 83 HG13 ILE 83 22.772 7.711 3.471 644 HG21 ILE 83 HG21 ILE 83 22.624 11.569 5.376 645 HG22 ILE 83 HG22 ILE 83 23.890 11.202 4.186 646 HG23 ILE 83 HG23 ILE 83 22.222 11.508 3.664 647 HD11 ILE 83 HD11 ILE 83 22.190 10.173 1.776 648 HD12 ILE 83 HD12 ILE 83 22.284 8.486 1.238 649 HD13 ILE 83 HD13 ILE 83 20.971 8.992 2.316 650 H TRP 84 H TRP 84 24.509 10.521 7.327 651 HA TRP 84 HA TRP 84 27.094 10.046 5.919 652 HB2 TRP 84 HB2 TRP 84 25.898 12.243 5.657 653 HB3 TRP 84 HB3 TRP 84 26.181 12.542 7.365 654 HD1 TRP 84 HD1 TRP 84 28.738 11.178 4.788 655 HE1 TRP 84 HE1 TRP 84 30.670 12.818 4.559 656 HE3 TRP 84 HE3 TRP 84 26.980 14.937 7.788 657 HZ2 TRP 84 HZ2 TRP 84 31.332 15.473 5.423 658 HZ3 TRP 84 HZ3 TRP 84 28.274 17.044 8.016 659 HH2 TRP 84 HH2 TRP 84 30.439 17.325 6.839 660 H ARG 85 H ARG 85 29.056 10.258 7.039 661 HA ARG 85 HA ARG 85 28.940 8.976 9.729 662 HB2 ARG 85 HB2 ARG 85 29.568 7.679 7.689 663 HB3 ARG 85 HB3 ARG 85 30.996 8.690 7.507 664 HG2 ARG 85 HG2 ARG 85 31.934 7.848 9.584 665 HG3 ARG 85 HG3 ARG 85 30.432 7.002 9.989 666 HD2 ARG 85 HD2 ARG 85 32.176 6.418 7.563 667 HD3 ARG 85 HD3 ARG 85 32.266 5.539 9.091 668 HE ARG 85 HE ARG 85 29.639 5.238 8.509 669 HH11 ARG 85 HH21 ARG 85 32.461 4.615 6.505 670 HH12 ARG 85 HH22 ARG 85 31.635 3.382 5.577 671 HH21 ARG 85 HH11 ARG 85 28.661 3.661 7.301 672 HH22 ARG 85 HH12 ARG 85 29.544 2.843 6.037 673 H ALA 86 H ALA 86 29.951 11.913 8.400 674 HA ALA 86 HA ALA 86 32.178 12.229 10.364 675 HB1 ALA 86 HB1 ALA 86 32.801 12.420 8.008 676 HB2 ALA 86 HB2 ALA 86 31.622 13.735 7.793 677 HB3 ALA 86 HB3 ALA 86 33.022 13.954 8.862 678 H TYR 87 H TYR 87 32.550 14.311 11.282 679 HA TYR 87 HA TYR 87 30.380 16.258 11.506 680 HB2 TYR 87 HB2 TYR 87 29.927 14.607 13.330 681 HB3 TYR 87 HB3 TYR 87 31.544 14.878 13.957 682 HD1 TYR 87 HD1 TYR 87 28.425 16.782 13.033 683 HD2 TYR 87 HD2 TYR 87 31.816 16.461 15.682 684 HE1 TYR 87 HE1 TYR 87 27.547 18.673 14.384 685 HE2 TYR 87 HE2 TYR 87 30.920 18.349 17.043 686 HH TYR 87 HH TYR 87 27.933 20.012 16.262 687 H ILE 88 H ILE 88 31.177 18.275 12.555 688 HA ILE 88 HA ILE 88 34.120 18.631 12.341 689 HB ILE 88 HB ILE 88 33.114 19.223 10.218 690 HG12 ILE 88 HG12 ILE 88 34.122 21.697 11.671 691 HG13 ILE 88 HG13 ILE 88 35.143 20.362 11.133 692 HG21 ILE 88 HG21 ILE 88 31.599 21.102 9.913 693 HG22 ILE 88 HG22 ILE 88 30.857 19.943 11.009 694 HG23 ILE 88 HG23 ILE 88 31.582 21.431 11.656 695 HD11 ILE 88 HD11 ILE 88 34.430 20.779 8.779 696 HD12 ILE 88 HD12 ILE 88 33.516 22.204 9.336 697 HD13 ILE 88 HD13 ILE 88 35.275 22.149 9.520 698 H LEU 89 H LEU 89 35.083 19.945 13.718 699 HA LEU 89 HA LEU 89 33.492 21.012 15.992 700 HB2 LEU 89 HB2 LEU 89 36.462 20.398 15.688 701 HB3 LEU 89 HB3 LEU 89 35.732 21.114 17.103 702 HG LEU 89 HG LEU 89 36.150 18.864 17.591 703 HD11 LEU 89 HD11 LEU 89 33.987 18.020 18.261 704 HD12 LEU 89 HD12 LEU 89 34.017 19.781 18.458 705 HD13 LEU 89 HD13 LEU 89 33.161 19.052 17.075 706 HD21 LEU 89 HD21 LEU 89 35.335 16.933 16.456 707 HD22 LEU 89 HD22 LEU 89 34.414 17.894 15.292 708 HD23 LEU 89 HD23 LEU 89 36.198 17.932 15.277 709 H VAL 90 H VAL 90 34.145 23.043 16.963 710 HA VAL 90 HA VAL 90 35.266 25.048 15.064 711 HB VAL 90 HB VAL 90 32.845 25.254 15.082 712 HG11 VAL 90 HG11 VAL 90 31.605 26.060 17.021 713 HG12 VAL 90 HG12 VAL 90 32.301 24.470 17.358 714 HG13 VAL 90 HG13 VAL 90 33.047 25.932 18.045 715 HG21 VAL 90 HG21 VAL 90 34.161 27.611 16.482 716 HG22 VAL 90 HG22 VAL 90 34.272 27.245 14.743 717 HG23 VAL 90 HG23 VAL 90 32.707 27.633 15.468 718 H ASP 91 H ASP 91 36.656 26.514 15.856 719 HA ASP 91 HA ASP 91 37.215 26.738 18.745 720 HB2 ASP 91 HB2 ASP 91 38.527 24.783 18.072 721 HB3 ASP 91 HB3 ASP 91 39.204 25.665 16.709 722 H ASP 92 H ASP 92 37.673 28.809 19.216 723 HA ASP 92 HA ASP 92 38.267 30.788 17.121 724 HB2 ASP 92 HB2 ASP 92 36.668 31.177 19.010 725 HB3 ASP 92 HB3 ASP 92 38.025 31.132 20.126 726 H ASN 93 H ASN 93 40.077 28.744 19.118 727 HA ASN 93 HA ASN 93 42.159 28.380 19.623 728 HB2 ASN 93 HB2 ASN 93 42.113 28.542 17.052 729 HB3 ASN 93 HB3 ASN 93 43.039 30.028 17.254 730 HD21 ASN 93 HD22 ASN 93 43.011 26.564 18.163 731 HD22 ASN 93 HD21 ASN 93 44.758 26.355 18.124 732 H GLU 94 H GLU 94 40.997 31.017 20.642 733 HA GLU 94 HA GLU 94 43.466 31.873 22.046 734 HB2 GLU 94 HB2 GLU 94 41.454 33.688 20.663 735 HB3 GLU 94 HB3 GLU 94 42.483 34.262 21.959 736 HG2 GLU 94 HG2 GLU 94 43.463 33.109 19.320 737 HG3 GLU 94 HG3 GLU 94 43.357 34.810 19.725 738 H LYS 95 H LYS 95 43.168 32.680 24.092 739 HA LYS 95 HA LYS 95 40.486 32.452 25.372 740 HB2 LYS 95 HB2 LYS 95 41.401 31.163 27.210 741 HB3 LYS 95 HB3 LYS 95 41.619 30.321 25.684 742 HG2 LYS 95 HG2 LYS 95 44.000 31.007 25.616 743 HG3 LYS 95 HG3 LYS 95 43.794 31.895 27.137 744 HD2 LYS 95 HD2 LYS 95 43.217 29.802 28.305 745 HD3 LYS 95 HD3 LYS 95 43.351 28.899 26.783 746 HE2 LYS 95 HE2 LYS 95 45.730 29.552 26.601 747 HE3 LYS 95 HE3 LYS 95 45.606 30.464 28.101 748 HZ1 LYS 95 HZ1 LYS 95 46.538 28.260 28.479 749 HZ2 LYS 95 HZ2 LYS 95 45.111 28.378 29.256 750 HZ3 LYS 95 HZ3 LYS 95 45.218 27.530 27.863 751 H ALA 96 H ALA 96 42.780 34.608 24.753 752 HA ALA 96 HA ALA 96 42.633 35.958 27.416 753 HB1 ALA 96 HB1 ALA 96 44.707 36.249 25.218 754 HB2 ALA 96 HB2 ALA 96 44.692 37.110 26.771 755 HB3 ALA 96 HB3 ALA 96 44.909 35.351 26.739 756 H LYS 97 H LYS 97 42.325 38.215 27.479 757 HA LYS 97 HA LYS 97 40.443 39.244 25.491 758 HB2 LYS 97 HB2 LYS 97 40.077 41.061 27.025 759 HB3 LYS 97 HB3 LYS 97 40.055 39.540 27.907 760 HG2 LYS 97 HG2 LYS 97 42.357 39.964 28.729 761 HG3 LYS 97 HG3 LYS 97 42.429 41.460 27.783 762 HD2 LYS 97 HD2 LYS 97 40.437 42.311 29.097 763 HD3 LYS 97 HD3 LYS 97 40.522 40.844 30.077 764 HE2 LYS 97 HE2 LYS 97 41.651 42.548 31.299 765 HE3 LYS 97 HE3 LYS 97 42.878 41.444 30.699 766 HZ1 LYS 97 HZ1 LYS 97 43.310 43.053 28.894 767 HZ2 LYS 97 HZ2 LYS 97 42.181 44.068 29.494 768 HZ3 LYS 97 HZ3 LYS 97 43.528 43.750 30.354 769 HA PRO 98 HA PRO 98 43.170 41.924 23.184 770 HB2 PRO 98 HB2 PRO 98 41.176 44.133 23.635 771 HB3 PRO 98 HB3 PRO 98 41.925 43.584 22.106 772 HG2 PRO 98 HG2 PRO 98 39.382 42.878 22.697 773 HG3 PRO 98 HG3 PRO 98 40.510 41.652 22.029 774 HD2 PRO 98 HD2 PRO 98 39.756 42.122 24.930 775 HD3 PRO 98 HD3 PRO 98 39.801 40.587 24.008 776 H LYS 99 H LYS 99 44.452 43.887 23.273 777 HA LYS 99 HA LYS 99 44.847 45.110 25.977 778 HB2 LYS 99 HB2 LYS 99 46.969 44.391 23.917 779 HB3 LYS 99 HB3 LYS 99 47.248 45.324 25.388 780 HG2 LYS 99 HG2 LYS 99 46.494 43.392 26.762 781 HG3 LYS 99 HG3 LYS 99 46.292 42.431 25.284 782 HD2 LYS 99 HD2 LYS 99 48.690 42.683 24.764 783 HD3 LYS 99 HD3 LYS 99 48.912 43.686 26.212 784 HE2 LYS 99 HE2 LYS 99 48.144 41.780 27.622 785 HE3 LYS 99 HE3 LYS 99 47.970 40.789 26.179 786 HZ1 LYS 99 HZ1 LYS 99 50.377 41.068 25.802 787 HZ2 LYS 99 HZ2 LYS 99 50.519 41.934 27.181 788 HZ3 LYS 99 HZ3 LYS 99 50.088 40.367 27.242 789 H VAL 100 H VAL 100 45.615 47.267 26.004 790 HA VAL 100 HA VAL 100 44.960 48.898 23.581 791 HB VAL 100 HB VAL 100 44.143 49.567 26.431 792 HG11 VAL 100 HG11 VAL 100 43.560 50.957 23.775 793 HG12 VAL 100 HG12 VAL 100 42.826 51.376 25.334 794 HG13 VAL 100 HG13 VAL 100 44.556 51.596 25.105 795 HG21 VAL 100 HG21 VAL 100 42.712 47.756 25.599 796 HG22 VAL 100 HG22 VAL 100 41.812 49.269 25.606 797 HG23 VAL 100 HG23 VAL 100 42.447 48.632 24.074 798 H LEU 101 H LEU 101 46.264 50.540 23.131 799 HA LEU 101 HA LEU 101 48.378 51.359 25.057 800 HB2 LEU 101 HB2 LEU 101 49.350 49.826 23.441 801 HB3 LEU 101 HB3 LEU 101 48.741 50.783 22.100 802 HG LEU 101 HG LEU 101 50.204 52.684 22.787 803 HD11 LEU 101 HD11 LEU 101 51.258 50.716 24.871 804 HD12 LEU 101 HD12 LEU 101 52.032 52.252 24.428 805 HD13 LEU 101 HD13 LEU 101 50.446 52.264 25.202 806 HD21 LEU 101 HD21 LEU 101 50.971 51.003 21.145 807 HD22 LEU 101 HD22 LEU 101 52.315 51.659 22.094 808 HD23 LEU 101 HD23 LEU 101 51.679 50.039 22.461 809 HA PRO 102 HA PRO 102 47.399 55.292 22.587 810 HB2 PRO 102 HB2 PRO 102 45.346 55.480 20.811 811 HB3 PRO 102 HB3 PRO 102 46.971 54.888 20.359 812 HG2 PRO 102 HG2 PRO 102 44.533 53.242 21.099 813 HG3 PRO 102 HG3 PRO 102 45.597 53.054 19.668 814 HD2 PRO 102 HD2 PRO 102 45.911 51.547 21.886 815 HD3 PRO 102 HD3 PRO 102 47.331 52.130 20.963 816 H PHE 103 H PHE 103 45.870 57.035 22.982 817 HA PHE 103 HA PHE 103 43.448 56.415 24.560 818 HB2 PHE 103 HB2 PHE 103 45.364 56.498 26.143 819 HB3 PHE 103 HB3 PHE 103 45.761 58.110 25.571 820 HD1 PHE 103 HD2 PHE 103 42.825 56.184 26.958 821 HD2 PHE 103 HD1 PHE 103 44.968 59.922 26.850 822 HE1 PHE 103 HE2 PHE 103 41.305 57.110 28.684 823 HE2 PHE 103 HE1 PHE 103 43.469 60.826 28.599 824 HZ PHE 103 HZ PHE 103 41.639 59.423 29.526 825 H HIS 104 H HIS 104 41.952 58.121 24.689 826 HA HIS 104 HA HIS 104 42.417 60.453 22.896 827 HB2 HIS 104 HB2 HIS 104 41.382 58.403 21.774 828 HB3 HIS 104 HB3 HIS 104 39.961 58.679 22.773 829 HD1 HIS 104 HD1 HIS 104 38.228 59.697 21.107 830 HD2 HIS 104 HD2 HIS 104 42.120 61.203 20.650 831 HE1 HIS 104 HE1 HIS 104 38.092 61.487 19.313 832 H THR 105 H THR 105 41.930 59.995 25.949 833 HA THR 105 HA THR 105 40.888 61.042 27.693 834 HB THR 105 HB THR 105 40.989 63.464 25.893 835 HG1 THR 105 HG1 THR 105 43.147 63.452 26.416 836 HG21 THR 105 HG21 THR 105 41.633 63.066 28.856 837 HG22 THR 105 HG22 THR 105 41.733 64.591 27.950 838 HG23 THR 105 HG23 THR 105 40.158 63.847 28.242 839 H ILE 106 H ILE 106 38.990 59.619 26.986 840 HA ILE 106 HA ILE 106 36.546 61.295 26.972 841 HB ILE 106 HB ILE 106 36.951 60.625 24.683 842 HG12 ILE 106 HG12 ILE 106 34.582 59.110 25.848 843 HG13 ILE 106 HG13 ILE 106 34.655 60.861 25.630 844 HG21 ILE 106 HG21 ILE 106 38.227 58.515 25.068 845 HG22 ILE 106 HG22 ILE 106 36.719 57.717 25.563 846 HG23 ILE 106 HG23 ILE 106 36.922 58.317 23.906 847 HD11 ILE 106 HD11 ILE 106 33.423 59.904 23.799 848 HD12 ILE 106 HD12 ILE 106 34.960 60.526 23.173 849 HD13 ILE 106 HD13 ILE 106 34.731 58.775 23.416 850 H TYR 107 H TYR 107 34.950 60.681 28.250 851 HA TYR 107 HA TYR 107 34.629 58.009 29.352 852 HB2 TYR 107 HB2 TYR 107 34.697 58.819 31.723 853 HB3 TYR 107 HB3 TYR 107 36.254 58.773 30.931 854 HD1 TYR 107 HD2 TYR 107 37.517 60.779 30.410 855 HD2 TYR 107 HD1 TYR 107 33.680 60.998 32.371 856 HE1 TYR 107 HE2 TYR 107 37.983 63.136 31.067 857 HE2 TYR 107 HE1 TYR 107 34.156 63.348 33.032 858 HH TYR 107 HH TYR 107 35.736 65.076 32.934 859 H CYS 108 H CYS 108 32.563 57.895 30.665 860 HA CYS 108 HA CYS 108 30.555 59.874 29.744 861 HB2 CYS 108 HB2 CYS 108 29.946 57.578 29.304 862 HB3 CYS 108 HB3 CYS 108 30.220 57.122 30.995 863 HG CYS 108 HG CYS 108 28.047 59.271 29.744 864 H TYR 109 H TYR 109 29.464 61.167 31.123 865 HA TYR 109 HA TYR 109 30.915 62.073 33.361 866 HB2 TYR 109 HB2 TYR 109 28.056 62.760 32.603 867 HB3 TYR 109 HB3 TYR 109 29.166 63.746 33.542 868 HD1 TYR 109 HD2 TYR 109 31.398 64.462 32.376 869 HD2 TYR 109 HD1 TYR 109 27.887 63.111 30.266 870 HE1 TYR 109 HE2 TYR 109 32.202 65.587 30.301 871 HE2 TYR 109 HE1 TYR 109 28.696 64.223 28.200 872 HH TYR 109 HH TYR 109 30.414 65.513 27.280 873 H ASN 110 H ASN 110 27.937 60.120 33.286 874 HA ASN 110 HA ASN 110 27.514 60.528 36.185 875 HB2 ASN 110 HB2 ASN 110 25.719 60.949 34.524 876 HB3 ASN 110 HB3 ASN 110 25.774 59.255 34.038 877 HD21 ASN 110 HD22 ASN 110 24.359 57.883 35.111 878 HD22 ASN 110 HD21 ASN 110 23.599 58.288 36.645 879 H CYS 111 H CYS 111 28.281 57.863 33.998 880 HA CYS 111 HA CYS 111 27.424 55.861 35.940 881 HB2 CYS 111 HB2 CYS 111 28.485 55.652 33.095 882 HB3 CYS 111 HB3 CYS 111 27.723 54.345 34.013 883 HG CYS 111 HG CYS 111 25.418 55.400 34.307 884 H GLY 112 H GLY 112 30.457 57.278 35.377 885 HA2 GLY 112 HA2 GLY 112 32.589 56.751 36.142 886 HA3 GLY 112 HA3 GLY 112 31.980 55.239 36.818 887 H GLY 113 H GLY 113 30.798 54.574 34.053 888 HA2 GLY 113 HA2 GLY 113 33.097 53.309 32.778 889 HA3 GLY 113 HA3 GLY 113 31.428 53.288 32.223 890 H LYS 114 H LYS 114 33.068 53.451 30.282 891 HA LYS 114 HA LYS 114 33.197 56.267 29.301 892 HB2 LYS 114 HB2 LYS 114 35.465 54.252 29.034 893 HB3 LYS 114 HB3 LYS 114 35.490 55.949 28.574 894 HG2 LYS 114 HG2 LYS 114 35.289 56.524 31.054 895 HG3 LYS 114 HG3 LYS 114 35.437 54.795 31.396 896 HD2 LYS 114 HD2 LYS 114 37.624 54.736 30.229 897 HD3 LYS 114 HD3 LYS 114 37.523 56.488 29.967 898 HE2 LYS 114 HE2 LYS 114 37.419 56.860 32.402 899 HE3 LYS 114 HE3 LYS 114 37.437 55.125 32.689 900 HZ1 LYS 114 HZ1 LYS 114 39.650 56.621 31.396 901 HZ2 LYS 114 HZ2 LYS 114 39.644 56.119 32.947 902 HZ3 LYS 114 HZ3 LYS 114 39.656 55.022 31.747 903 H GLY 115 H GLY 115 33.039 56.515 27.079 904 HA2 GLY 115 HA2 GLY 115 32.905 56.037 24.850 905 HA3 GLY 115 HA3 GLY 115 33.800 54.571 25.227 906 H HIS 116 H HIS 116 30.704 54.534 26.745 907 HA HIS 116 HA HIS 116 29.769 52.520 24.806 908 HB2 HIS 116 HB2 HIS 116 28.269 51.805 26.389 909 HB3 HIS 116 HB3 HIS 116 29.689 52.214 27.318 910 HD1 HIS 116 HD1 HIS 116 26.073 52.604 27.465 911 HD2 HIS 116 HD2 HIS 116 29.411 54.941 28.498 912 HE1 HIS 116 HE1 HIS 116 25.245 54.327 29.100 913 H PHE 117 H PHE 117 26.952 52.961 25.246 914 HA PHE 117 HA PHE 117 26.220 54.896 23.239 915 HB2 PHE 117 HB2 PHE 117 23.945 54.179 23.746 916 HB3 PHE 117 HB3 PHE 117 25.041 52.845 23.487 917 HD1 PHE 117 HD2 PHE 117 23.136 54.684 26.103 918 HD2 PHE 117 HD1 PHE 117 25.406 51.144 25.151 919 HE1 PHE 117 HE2 PHE 117 22.408 53.636 28.230 920 HE2 PHE 117 HE1 PHE 117 24.664 50.105 27.275 921 HZ PHE 117 HZ PHE 117 23.172 51.348 28.817 922 H GLY 118 H GLY 118 27.692 55.957 25.530 923 HA2 GLY 118 HA2 GLY 118 26.601 57.821 27.248 924 HA3 GLY 118 HA3 GLY 118 28.029 58.024 26.255 925 H ASP 119 H ASP 119 26.730 57.988 23.692 926 HA ASP 119 HA ASP 119 26.131 60.709 23.217 927 HB2 ASP 119 HB2 ASP 119 26.959 59.013 21.580 928 HB3 ASP 119 HB3 ASP 119 25.390 58.223 21.631 929 H ASP 120 H ASP 120 23.910 57.979 23.800 930 HA ASP 120 HA ASP 120 21.536 59.787 23.684 931 HB2 ASP 120 HB2 ASP 120 21.573 57.759 22.232 932 HB3 ASP 120 HB3 ASP 120 21.667 56.756 23.674 933 H CYS 121 H CYS 121 23.515 57.922 25.841 934 HA CYS 121 HA CYS 121 21.781 58.108 28.179 935 HB2 CYS 121 HB2 CYS 121 23.393 56.251 27.734 936 HB3 CYS 121 HB3 CYS 121 24.729 57.396 27.925 937 HG CYS 121 HG CYS 121 24.032 58.157 30.305 938 H LYS 122 H LYS 122 21.665 60.484 27.239 939 HA LYS 122 HA LYS 122 23.909 62.242 27.971 940 HB2 LYS 122 HB2 LYS 122 22.924 61.943 25.658 941 HB3 LYS 122 HB3 LYS 122 21.468 62.754 26.231 942 HG2 LYS 122 HG2 LYS 122 22.832 64.791 26.730 943 HG3 LYS 122 HG3 LYS 122 24.278 63.932 26.152 944 HD2 LYS 122 HD2 LYS 122 23.178 63.684 23.902 945 HD3 LYS 122 HD3 LYS 122 21.770 64.542 24.523 946 HE2 LYS 122 HE2 LYS 122 23.003 66.143 23.309 947 HE3 LYS 122 HE3 LYS 122 23.248 66.522 25.006 948 HZ1 LYS 122 HZ1 LYS 122 25.422 65.409 24.859 949 HZ2 LYS 122 HZ2 LYS 122 25.166 65.050 23.282 950 HZ3 LYS 122 HZ3 LYS 122 25.324 66.601 23.750 951 H GLU 123 H GLU 123 20.520 61.860 28.876 952 HA GLU 123 HA GLU 123 20.669 64.291 30.615 953 HB2 GLU 123 HB2 GLU 123 18.398 63.592 28.717 954 HB3 GLU 123 HB3 GLU 123 18.389 64.899 29.905 955 HG2 GLU 123 HG2 GLU 123 20.368 65.914 28.737 956 HG3 GLU 123 HG3 GLU 123 20.213 64.693 27.479 957 H LYS 124 H LYS 124 19.087 64.425 32.282 958 HA LYS 124 HA LYS 124 18.350 61.812 33.480 959 HB2 LYS 124 HB2 LYS 124 19.756 63.415 34.759 960 HB3 LYS 124 HB3 LYS 124 18.439 64.590 34.711 961 HG2 LYS 124 HG2 LYS 124 16.985 62.986 35.948 962 HG3 LYS 124 HG3 LYS 124 18.326 61.823 35.989 963 HD2 LYS 124 HD2 LYS 124 19.703 63.478 37.235 964 HD3 LYS 124 HD3 LYS 124 18.348 64.609 37.247 965 HE2 LYS 124 HE2 LYS 124 18.339 61.822 38.486 966 HE3 LYS 124 HE3 LYS 124 18.652 63.308 39.367 967 HZ1 LYS 124 HZ1 LYS 124 16.351 62.671 39.608 968 HZ2 LYS 124 HZ2 LYS 124 16.410 64.065 38.768 969 HZ3 LYS 124 HZ3 LYS 124 16.104 62.652 37.999 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -18.469 7.089 0.593 2 H2 LYS 1 H2 LYS 1 -16.947 7.382 0.061 3 H3 LYS 1 H3 LYS 1 -17.847 6.219 -0.643 4 HA LYS 1 HA LYS 1 -17.725 8.135 -2.061 5 HB2 LYS 1 HB2 LYS 1 -19.720 6.685 -2.112 6 HB3 LYS 1 HB3 LYS 1 -20.539 7.731 -0.961 7 HG2 LYS 1 HG2 LYS 1 -20.514 9.589 -2.593 8 HG3 LYS 1 HG3 LYS 1 -19.477 8.644 -3.669 9 HD2 LYS 1 HD2 LYS 1 -21.630 8.462 -4.618 10 HD3 LYS 1 HD3 LYS 1 -21.321 6.928 -3.835 11 HE2 LYS 1 HE2 LYS 1 -23.460 7.253 -3.128 12 HE3 LYS 1 HE3 LYS 1 -22.619 8.019 -1.791 13 HZ1 LYS 1 HZ1 LYS 1 -24.427 9.409 -2.630 14 HZ2 LYS 1 HZ2 LYS 1 -23.024 10.167 -2.897 15 HZ3 LYS 1 HZ3 LYS 1 -23.785 9.439 -4.134 16 H GLU 2 H GLU 2 -20.054 9.286 0.415 17 HA GLU 2 HA GLU 2 -18.583 11.892 0.543 18 HB2 GLU 2 HB2 GLU 2 -21.539 11.312 0.228 19 HB3 GLU 2 HB3 GLU 2 -20.932 12.869 0.802 20 HG2 GLU 2 HG2 GLU 2 -19.796 13.331 -1.228 21 HG3 GLU 2 HG3 GLU 2 -19.928 11.685 -1.810 22 H ALA 3 H ALA 3 -18.774 13.080 2.499 23 HA ALA 3 HA ALA 3 -18.409 11.221 4.686 24 HB1 ALA 3 HB1 ALA 3 -17.948 14.214 4.510 25 HB2 ALA 3 HB2 ALA 3 -17.378 13.138 5.799 26 HB3 ALA 3 HB3 ALA 3 -16.764 12.939 4.146 27 H ALA 4 H ALA 4 -20.080 10.528 5.847 28 HA ALA 4 HA ALA 4 -21.910 12.438 7.172 29 HB1 ALA 4 HB1 ALA 4 -22.637 10.425 8.447 30 HB2 ALA 4 HB2 ALA 4 -22.880 10.308 6.696 31 HB3 ALA 4 HB3 ALA 4 -21.550 9.429 7.462 32 HA PRO 5 HA PRO 5 -19.081 11.548 10.874 33 HB2 PRO 5 HB2 PRO 5 -16.750 10.125 10.695 34 HB3 PRO 5 HB3 PRO 5 -18.348 9.362 10.893 35 HG2 PRO 5 HG2 PRO 5 -16.857 9.827 8.273 36 HG3 PRO 5 HG3 PRO 5 -17.562 8.294 8.895 37 HD2 PRO 5 HD2 PRO 5 -18.877 9.839 7.159 38 HD3 PRO 5 HD3 PRO 5 -19.740 9.073 8.533 39 H LYS 6 H LYS 6 -16.992 11.848 8.004 40 HA LYS 6 HA LYS 6 -14.852 12.495 7.775 41 HB2 LYS 6 HB2 LYS 6 -14.336 14.748 7.808 42 HB3 LYS 6 HB3 LYS 6 -16.026 14.651 7.402 43 HG2 LYS 6 HG2 LYS 6 -16.740 15.663 9.337 44 HG3 LYS 6 HG3 LYS 6 -15.395 15.044 10.310 45 HD2 LYS 6 HD2 LYS 6 -13.860 16.603 9.024 46 HD3 LYS 6 HD3 LYS 6 -15.299 17.381 8.358 47 HE2 LYS 6 HE2 LYS 6 -14.806 16.949 11.335 48 HE3 LYS 6 HE3 LYS 6 -14.268 18.395 10.499 49 HZ1 LYS 6 HZ1 LYS 6 -16.415 18.711 11.566 50 HZ2 LYS 6 HZ2 LYS 6 -16.563 18.895 9.956 51 HZ3 LYS 6 HZ3 LYS 6 -17.098 17.527 10.679 52 H CYS 7 H CYS 7 -12.973 13.925 9.360 53 HA CYS 7 HA CYS 7 -11.969 11.875 10.976 54 HB2 CYS 7 HB2 CYS 7 -11.488 14.854 10.928 55 HB3 CYS 7 HB3 CYS 7 -10.656 13.826 12.109 56 HG CYS 7 HG CYS 7 -10.752 13.268 8.874 57 H ASN 8 H ASN 8 -11.782 11.408 13.140 58 HA ASN 8 HA ASN 8 -14.010 11.827 14.877 59 HB2 ASN 8 HB2 ASN 8 -12.326 9.902 15.052 60 HB3 ASN 8 HB3 ASN 8 -11.127 11.071 15.566 61 HD21 ASN 8 HD22 ASN 8 -10.797 10.289 17.665 62 HD22 ASN 8 HD21 ASN 8 -12.085 10.272 18.866 63 H ASN 9 H ASN 9 -10.892 13.491 14.599 64 HA ASN 9 HA ASN 9 -11.762 15.553 16.591 65 HB2 ASN 9 HB2 ASN 9 -10.401 13.803 17.652 66 HB3 ASN 9 HB3 ASN 9 -9.126 14.031 16.458 67 HD21 ASN 9 HD22 ASN 9 -10.834 15.585 19.190 68 HD22 ASN 9 HD21 ASN 9 -9.537 16.729 19.518 69 H CYS 10 H CYS 10 -9.266 14.927 14.040 70 HA CYS 10 HA CYS 10 -8.653 17.785 14.007 71 HB2 CYS 10 HB2 CYS 10 -6.631 17.066 12.843 72 HB3 CYS 10 HB3 CYS 10 -6.892 16.170 14.343 73 HG CYS 10 HG CYS 10 -5.946 14.571 12.508 74 H SER 11 H SER 11 -11.075 16.689 12.557 75 HA SER 11 HA SER 11 -12.289 17.141 10.689 76 HB2 SER 11 HB2 SER 11 -10.881 19.700 11.417 77 HB3 SER 11 HB3 SER 11 -12.317 19.625 10.368 78 HG SER 11 HG SER 11 -12.764 19.758 12.663 79 H GLN 12 H GLN 12 -10.683 15.649 9.424 80 HA GLN 12 HA GLN 12 -10.640 17.010 6.781 81 HB2 GLN 12 HB2 GLN 12 -8.629 14.926 7.710 82 HB3 GLN 12 HB3 GLN 12 -8.781 15.576 6.074 83 HG2 GLN 12 HG2 GLN 12 -8.301 17.878 7.009 84 HG3 GLN 12 HG3 GLN 12 -7.990 17.127 8.574 85 HE21 GLN 12 HE22 GLN 12 -5.806 18.194 8.280 86 HE22 GLN 12 HE21 GLN 12 -4.610 17.303 7.341 87 H ARG 13 H ARG 13 -10.901 15.472 4.979 88 HA ARG 13 HA ARG 13 -12.950 13.394 5.552 89 HB2 ARG 13 HB2 ARG 13 -13.520 15.216 4.028 90 HB3 ARG 13 HB3 ARG 13 -12.147 14.837 2.999 91 HG2 ARG 13 HG2 ARG 13 -13.164 12.732 2.306 92 HG3 ARG 13 HG3 ARG 13 -14.494 12.946 3.471 93 HD2 ARG 13 HD2 ARG 13 -15.248 14.950 2.290 94 HD3 ARG 13 HD3 ARG 13 -13.845 14.882 1.215 95 HE ARG 13 HE ARG 13 -15.320 12.445 0.951 96 HH11 ARG 13 HH11 ARG 13 -15.604 15.842 0.079 97 HH12 ARG 13 HH12 ARG 13 -16.542 15.489 -1.358 98 HH21 ARG 13 HH21 ARG 13 -16.566 12.095 -0.931 99 HH22 ARG 13 HH22 ARG 13 -17.033 13.451 -1.910 100 H GLY 14 H GLY 14 -12.882 11.352 4.529 101 HA2 GLY 14 HA2 GLY 14 -12.017 9.561 3.347 102 HA3 GLY 14 HA3 GLY 14 -10.535 10.462 3.045 103 H HIS 15 H HIS 15 -10.308 10.840 6.130 104 HA HIS 15 HA HIS 15 -9.802 8.042 6.951 105 HB2 HIS 15 HB2 HIS 15 -7.686 8.310 7.665 106 HB3 HIS 15 HB3 HIS 15 -7.690 9.203 6.166 107 HD1 HIS 15 HD1 HIS 15 -7.492 11.995 6.482 108 HD2 HIS 15 HD2 HIS 15 -6.849 9.472 9.774 109 HE1 HIS 15 HE1 HIS 15 -6.259 13.381 8.222 110 H LEU 16 H LEU 16 -12.021 8.765 7.393 111 HA LEU 16 HA LEU 16 -12.731 10.549 9.441 112 HB2 LEU 16 HB2 LEU 16 -14.938 9.475 9.278 113 HB3 LEU 16 HB3 LEU 16 -14.277 9.964 7.741 114 HG LEU 16 HG LEU 16 -15.599 7.856 7.758 115 HD11 LEU 16 HD11 LEU 16 -14.339 6.686 6.174 116 HD12 LEU 16 HD12 LEU 16 -13.954 8.395 5.962 117 HD13 LEU 16 HD13 LEU 16 -12.794 7.293 6.768 118 HD21 LEU 16 HD21 LEU 16 -14.783 6.863 9.877 119 HD22 LEU 16 HD22 LEU 16 -14.689 5.763 8.494 120 HD23 LEU 16 HD23 LEU 16 -13.213 6.531 9.082 121 H LYS 17 H LYS 17 -14.340 9.656 11.226 122 HA LYS 17 HA LYS 17 -13.426 9.287 13.515 123 HB2 LYS 17 HB2 LYS 17 -15.862 8.703 12.521 124 HB3 LYS 17 HB3 LYS 17 -15.454 7.104 13.086 125 HG2 LYS 17 HG2 LYS 17 -15.452 9.685 14.703 126 HG3 LYS 17 HG3 LYS 17 -16.694 8.450 14.750 127 HD2 LYS 17 HD2 LYS 17 -13.810 8.105 15.698 128 HD3 LYS 17 HD3 LYS 17 -15.194 8.403 16.726 129 HE2 LYS 17 HE2 LYS 17 -14.871 5.932 14.972 130 HE3 LYS 17 HE3 LYS 17 -14.426 6.032 16.666 131 HZ1 LYS 17 HZ1 LYS 17 -16.622 5.093 16.450 132 HZ2 LYS 17 HZ2 LYS 17 -16.745 6.527 17.202 133 HZ3 LYS 17 HZ3 LYS 17 -17.185 6.386 15.633 134 H LYS 18 H LYS 18 -13.936 6.041 12.092 135 HA LYS 18 HA LYS 18 -12.100 4.751 13.939 136 HB2 LYS 18 HB2 LYS 18 -12.751 2.697 12.781 137 HB3 LYS 18 HB3 LYS 18 -14.143 3.659 13.267 138 HG2 LYS 18 HG2 LYS 18 -14.555 4.388 10.999 139 HG3 LYS 18 HG3 LYS 18 -12.996 3.772 10.443 140 HD2 LYS 18 HD2 LYS 18 -14.787 2.319 9.707 141 HD3 LYS 18 HD3 LYS 18 -13.713 1.467 10.823 142 HE2 LYS 18 HE2 LYS 18 -15.344 1.812 12.660 143 HE3 LYS 18 HE3 LYS 18 -16.403 2.696 11.565 144 HZ1 LYS 18 HZ1 LYS 18 -15.634 -0.153 11.246 145 HZ2 LYS 18 HZ2 LYS 18 -17.077 0.375 11.786 146 HZ3 LYS 18 HZ3 LYS 18 -16.633 0.666 10.247 147 H ASP 19 H ASP 19 -11.577 6.094 10.841 148 HA ASP 19 HA ASP 19 -9.037 4.631 10.352 149 HB2 ASP 19 HB2 ASP 19 -10.729 6.502 8.661 150 HB3 ASP 19 HB3 ASP 19 -9.142 5.927 8.171 151 H CYS 20 H CYS 20 -10.071 7.383 11.969 152 HA CYS 20 HA CYS 20 -8.115 9.305 11.463 153 HB2 CYS 20 HB2 CYS 20 -10.335 9.361 12.746 154 HB3 CYS 20 HB3 CYS 20 -9.408 8.846 14.162 155 HG CYS 20 HG CYS 20 -7.675 10.854 13.992 156 HA PRO 21 HA PRO 21 -5.092 7.371 14.687 157 HB2 PRO 21 HB2 PRO 21 -5.246 4.714 15.316 158 HB3 PRO 21 HB3 PRO 21 -6.093 5.993 16.234 159 HG2 PRO 21 HG2 PRO 21 -7.204 4.241 14.022 160 HG3 PRO 21 HG3 PRO 21 -7.915 4.568 15.633 161 HD2 PRO 21 HD2 PRO 21 -8.718 5.912 13.447 162 HD3 PRO 21 HD3 PRO 21 -8.542 6.760 15.010 163 H HIS 22 H HIS 22 -3.114 6.032 14.265 164 HA HIS 22 HA HIS 22 -2.643 5.889 11.428 165 HB2 HIS 22 HB2 HIS 22 -0.346 5.235 12.094 166 HB3 HIS 22 HB3 HIS 22 -0.930 6.735 12.800 167 HD1 HIS 22 HD1 HIS 22 -0.809 6.895 15.413 168 HD2 HIS 22 HD2 HIS 22 -0.235 3.041 13.853 169 HE1 HIS 22 HE1 HIS 22 -0.107 5.437 17.365 170 H ILE 23 H ILE 23 -2.426 4.239 10.036 171 HA ILE 23 HA ILE 23 -2.774 1.434 10.979 172 HB ILE 23 HB ILE 23 -4.524 1.077 9.318 173 HG12 ILE 23 HG12 ILE 23 -3.879 3.096 7.864 174 HG13 ILE 23 HG13 ILE 23 -5.562 2.610 8.008 175 HG21 ILE 23 HG21 ILE 23 -5.111 1.412 11.632 176 HG22 ILE 23 HG22 ILE 23 -5.285 3.157 11.378 177 HG23 ILE 23 HG23 ILE 23 -6.366 2.024 10.544 178 HD11 ILE 23 HD11 ILE 23 -4.317 4.989 9.450 179 HD12 ILE 23 HD12 ILE 23 -5.334 5.034 8.000 180 HD13 ILE 23 HD13 ILE 23 -6.027 4.476 9.525 181 H ILE 24 H ILE 24 -0.603 3.115 9.266 182 HA ILE 24 HA ILE 24 -0.388 1.660 6.794 183 HB ILE 24 HB ILE 24 2.073 2.322 6.936 184 HG12 ILE 24 HG12 ILE 24 1.165 4.126 9.212 185 HG13 ILE 24 HG13 ILE 24 2.049 2.621 9.476 186 HG21 ILE 24 HG21 ILE 24 -0.110 4.437 6.971 187 HG22 ILE 24 HG22 ILE 24 1.541 4.663 6.330 188 HG23 ILE 24 HG23 ILE 24 0.470 3.495 5.578 189 HD11 ILE 24 HD11 ILE 24 3.929 3.474 8.097 190 HD12 ILE 24 HD12 ILE 24 3.077 5.026 7.910 191 HD13 ILE 24 HD13 ILE 24 3.594 4.483 9.515 192 H CYS 25 H CYS 25 0.829 -0.118 6.134 193 HA CYS 25 HA CYS 25 1.024 -2.231 8.052 194 HB2 CYS 25 HB2 CYS 25 2.005 -2.140 5.170 195 HB3 CYS 25 HB3 CYS 25 1.865 -3.577 6.181 196 HG CYS 25 HG CYS 25 -0.106 -3.583 4.566 197 H SER 26 H SER 26 3.686 -0.917 6.031 198 HA SER 26 HA SER 26 5.609 -1.162 8.276 199 HB2 SER 26 HB2 SER 26 6.242 -2.544 5.628 200 HB3 SER 26 HB3 SER 26 7.154 -2.582 7.144 201 HG SER 26 HG SER 26 5.408 -3.762 7.990 202 H TYR 27 H TYR 27 5.662 -0.801 4.722 203 HA TYR 27 HA TYR 27 6.798 1.913 4.912 204 HB2 TYR 27 HB2 TYR 27 8.676 0.223 4.966 205 HB3 TYR 27 HB3 TYR 27 8.183 -0.312 3.371 206 HD1 TYR 27 HD1 TYR 27 9.085 2.820 5.263 207 HD2 TYR 27 HD2 TYR 27 9.199 0.719 1.500 208 HE1 TYR 27 HE1 TYR 27 10.462 4.646 4.290 209 HE2 TYR 27 HE2 TYR 27 10.602 2.537 0.533 210 HH TYR 27 HH TYR 27 11.568 5.376 2.361 211 H CYS 28 H CYS 28 4.405 1.870 4.302 212 HA CYS 28 HA CYS 28 4.144 2.444 1.461 213 HB2 CYS 28 HB2 CYS 28 2.250 0.959 1.055 214 HB3 CYS 28 HB3 CYS 28 3.656 0.008 1.540 215 HG CYS 28 HG CYS 28 3.010 -0.169 4.052 216 H GLY 29 H GLY 29 1.897 3.309 1.015 217 HA2 GLY 29 HA2 GLY 29 0.476 5.080 1.293 218 HA3 GLY 29 HA3 GLY 29 0.089 4.367 2.857 219 H ALA 30 H ALA 30 -0.255 6.455 3.669 220 HA ALA 30 HA ALA 30 2.228 7.574 4.827 221 HB1 ALA 30 HB1 ALA 30 -0.248 9.151 3.998 222 HB2 ALA 30 HB2 ALA 30 1.150 9.800 4.880 223 HB3 ALA 30 HB3 ALA 30 1.340 9.232 3.208 224 H THR 31 H THR 31 2.068 7.920 7.068 225 HA THR 31 HA THR 31 0.206 6.336 8.515 226 HB THR 31 HB THR 31 2.412 6.961 9.332 227 HG1 THR 31 HG1 THR 31 1.660 7.234 11.409 228 HG21 THR 31 HG21 THR 31 2.845 9.090 10.424 229 HG22 THR 31 HG22 THR 31 2.487 9.383 8.722 230 HG23 THR 31 HG23 THR 31 1.251 9.715 9.955 231 H ASP 32 H ASP 32 -0.116 9.604 7.376 232 HA ASP 32 HA ASP 32 -2.569 10.142 8.934 233 HB2 ASP 32 HB2 ASP 32 -0.722 11.799 8.575 234 HB3 ASP 32 HB3 ASP 32 -1.100 11.798 6.860 235 H ASP 33 H ASP 33 -1.884 8.566 5.976 236 HA ASP 33 HA ASP 33 -4.663 8.600 5.120 237 HB2 ASP 33 HB2 ASP 33 -3.906 10.703 4.105 238 HB3 ASP 33 HB3 ASP 33 -2.538 9.883 3.362 239 H HIS 34 H HIS 34 -4.755 6.399 5.187 240 HA HIS 34 HA HIS 34 -3.239 4.864 3.181 241 HB2 HIS 34 HB2 HIS 34 -1.713 4.777 4.997 242 HB3 HIS 34 HB3 HIS 34 -2.991 4.481 6.172 243 HD1 HIS 34 HD1 HIS 34 -3.991 1.943 6.226 244 HD2 HIS 34 HD2 HIS 34 -0.704 2.634 3.698 245 HE1 HIS 34 HE1 HIS 34 -3.023 -0.333 5.666 246 H TYR 35 H TYR 35 -4.118 3.013 2.553 247 HA TYR 35 HA TYR 35 -6.317 1.592 3.677 248 HB2 TYR 35 HB2 TYR 35 -7.593 3.552 2.829 249 HB3 TYR 35 HB3 TYR 35 -6.834 3.382 1.250 250 HD1 TYR 35 HD2 TYR 35 -8.615 1.104 3.688 251 HD2 TYR 35 HD1 TYR 35 -8.317 2.549 -0.367 252 HE1 TYR 35 HE2 TYR 35 -10.388 -0.490 2.984 253 HE2 TYR 35 HE1 TYR 35 -10.098 0.954 -1.062 254 HH TYR 35 HH TYR 35 -11.550 -0.727 -0.317 255 H SER 36 H SER 36 -6.942 -0.197 1.991 256 HA SER 36 HA SER 36 -4.728 -1.550 0.956 257 HB2 SER 36 HB2 SER 36 -7.639 -1.710 0.117 258 HB3 SER 36 HB3 SER 36 -6.407 -2.964 -0.145 259 HG SER 36 HG SER 36 -7.592 -3.233 1.819 260 H ARG 37 H ARG 37 -6.824 0.765 -0.735 261 HA ARG 37 HA ARG 37 -5.155 0.542 -3.194 262 HB2 ARG 37 HB2 ARG 37 -7.726 2.110 -2.828 263 HB3 ARG 37 HB3 ARG 37 -6.819 1.859 -4.320 264 HG2 ARG 37 HG2 ARG 37 -7.173 -0.692 -3.857 265 HG3 ARG 37 HG3 ARG 37 -8.455 -0.160 -2.766 266 HD2 ARG 37 HD2 ARG 37 -8.177 0.400 -5.741 267 HD3 ARG 37 HD3 ARG 37 -9.350 -0.675 -4.990 268 HE ARG 37 HE ARG 37 -10.219 1.475 -3.822 269 HH11 ARG 37 HH11 ARG 37 -9.021 1.449 -7.132 270 HH12 ARG 37 HH12 ARG 37 -9.956 2.861 -7.571 271 HH21 ARG 37 HH21 ARG 37 -11.370 3.264 -4.453 272 HH22 ARG 37 HH22 ARG 37 -11.256 3.849 -6.094 273 H HIS 38 H HIS 38 -4.760 2.155 -0.423 274 HA HIS 38 HA HIS 38 -3.356 4.405 -1.794 275 HB2 HIS 38 HB2 HIS 38 -4.632 4.491 0.954 276 HB3 HIS 38 HB3 HIS 38 -3.630 5.749 0.240 277 HD1 HIS 38 HD1 HIS 38 -5.500 4.986 -2.664 278 HD2 HIS 38 HD2 HIS 38 -6.442 6.665 1.064 279 HE1 HIS 38 HE1 HIS 38 -7.636 6.305 -3.004 280 H CYS 39 H CYS 39 -2.808 1.519 -0.141 281 HA CYS 39 HA CYS 39 -0.258 1.628 0.873 282 HB2 CYS 39 HB2 CYS 39 -1.568 -0.142 -1.215 283 HB3 CYS 39 HB3 CYS 39 0.126 -0.382 -0.773 284 HG CYS 39 HG CYS 39 -2.517 -0.326 1.223 285 HA PRO 40 HA PRO 40 1.836 2.835 -3.236 286 HB2 PRO 40 HB2 PRO 40 0.492 3.175 -5.602 287 HB3 PRO 40 HB3 PRO 40 0.903 1.572 -4.927 288 HG2 PRO 40 HG2 PRO 40 -1.706 3.106 -4.587 289 HG3 PRO 40 HG3 PRO 40 -1.484 1.440 -5.232 290 HD2 PRO 40 HD2 PRO 40 -2.083 1.805 -2.651 291 HD3 PRO 40 HD3 PRO 40 -0.840 0.615 -3.132 292 H LYS 41 H LYS 41 0.106 4.752 -1.473 293 HA LYS 41 HA LYS 41 -0.208 7.114 -3.124 294 HB2 LYS 41 HB2 LYS 41 -1.707 6.675 -1.247 295 HB3 LYS 41 HB3 LYS 41 -0.376 6.789 -0.111 296 HG2 LYS 41 HG2 LYS 41 -1.699 8.817 -0.079 297 HG3 LYS 41 HG3 LYS 41 -0.068 9.168 -0.616 298 HD2 LYS 41 HD2 LYS 41 -1.662 10.453 -1.897 299 HD3 LYS 41 HD3 LYS 41 -0.859 9.307 -2.971 300 HE2 LYS 41 HE2 LYS 41 -2.826 7.801 -2.842 301 HE3 LYS 41 HE3 LYS 41 -3.592 8.886 -1.686 302 HZ1 LYS 41 HZ1 LYS 41 -4.428 9.258 -3.929 303 HZ2 LYS 41 HZ2 LYS 41 -3.658 10.593 -3.408 304 HZ3 LYS 41 HZ3 LYS 41 -2.936 9.603 -4.491 305 H ALA 42 H ALA 42 1.710 7.172 -0.114 306 HA ALA 42 HA ALA 42 3.321 9.267 -1.391 307 HB1 ALA 42 HB1 ALA 42 3.176 8.340 1.501 308 HB2 ALA 42 HB2 ALA 42 3.939 9.823 0.900 309 HB3 ALA 42 HB3 ALA 42 2.185 9.620 0.762 310 H ILE 43 H ILE 43 3.807 5.954 -0.903 311 HA ILE 43 HA ILE 43 6.775 6.133 -1.071 312 HB ILE 43 HB ILE 43 5.259 4.356 0.887 313 HG12 ILE 43 HG12 ILE 43 6.789 6.933 1.436 314 HG13 ILE 43 HG13 ILE 43 5.060 6.665 1.655 315 HG21 ILE 43 HG21 ILE 43 8.246 4.919 0.606 316 HG22 ILE 43 HG22 ILE 43 7.481 3.783 1.737 317 HG23 ILE 43 HG23 ILE 43 7.432 3.454 0.014 318 HD11 ILE 43 HD11 ILE 43 5.566 4.948 3.402 319 HD12 ILE 43 HD12 ILE 43 7.278 5.457 3.317 320 HD13 ILE 43 HD13 ILE 43 6.028 6.615 3.798 321 H GLN 44 H GLN 44 7.268 5.067 -2.849 322 HA GLN 44 HA GLN 44 6.934 4.171 -4.836 323 HB2 GLN 44 HB2 GLN 44 6.688 1.847 -5.105 324 HB3 GLN 44 HB3 GLN 44 7.734 2.169 -3.744 325 HG2 GLN 44 HG2 GLN 44 4.810 1.547 -3.258 326 HG3 GLN 44 HG3 GLN 44 5.909 0.258 -3.708 327 HE21 GLN 44 HE22 GLN 44 4.482 0.675 -1.116 328 HE22 GLN 44 HE21 GLN 44 5.797 0.709 0.067 329 H CYS 45 H CYS 45 5.445 2.982 -6.385 330 HA CYS 45 HA CYS 45 2.601 3.795 -6.130 331 HB2 CYS 45 HB2 CYS 45 4.459 4.299 -8.485 332 HB3 CYS 45 HB3 CYS 45 2.741 4.755 -8.382 333 HG CYS 45 HG CYS 45 3.271 6.181 -6.083 334 H SER 46 H SER 46 1.192 2.551 -7.481 335 HA SER 46 HA SER 46 1.919 -0.175 -8.128 336 HB2 SER 46 HB2 SER 46 -0.454 -0.105 -9.051 337 HB3 SER 46 HB3 SER 46 -0.301 0.374 -7.348 338 HG SER 46 HG SER 46 -1.502 1.889 -8.616 339 H LYS 47 H LYS 47 1.448 2.809 -9.976 340 HA LYS 47 HA LYS 47 2.082 1.494 -12.562 341 HB2 LYS 47 HB2 LYS 47 0.102 2.952 -12.332 342 HB3 LYS 47 HB3 LYS 47 1.147 4.318 -11.933 343 HG2 LYS 47 HG2 LYS 47 2.135 4.290 -14.160 344 HG3 LYS 47 HG3 LYS 47 1.353 2.751 -14.536 345 HD2 LYS 47 HD2 LYS 47 0.206 4.572 -15.658 346 HD3 LYS 47 HD3 LYS 47 -0.860 3.814 -14.471 347 HE2 LYS 47 HE2 LYS 47 -0.411 5.659 -12.881 348 HE3 LYS 47 HE3 LYS 47 0.698 6.395 -14.033 349 HZ1 LYS 47 HZ1 LYS 47 -2.207 5.998 -14.486 350 HZ2 LYS 47 HZ2 LYS 47 -1.492 7.420 -14.142 351 HZ3 LYS 47 HZ3 LYS 47 -1.179 6.679 -15.559 352 H CYS 48 H CYS 48 3.474 3.882 -10.361 353 HA CYS 48 HA CYS 48 5.664 4.435 -12.267 354 HB2 CYS 48 HB2 CYS 48 5.273 5.906 -9.669 355 HB3 CYS 48 HB3 CYS 48 5.969 6.460 -11.180 356 HG CYS 48 HG CYS 48 3.755 6.507 -12.552 357 H ASP 49 H ASP 49 5.406 2.205 -9.834 358 HA ASP 49 HA ASP 49 6.774 1.098 -8.448 359 HB2 ASP 49 HB2 ASP 49 8.065 1.129 -10.775 360 HB3 ASP 49 HB3 ASP 49 9.270 1.994 -9.842 361 H GLU 50 H GLU 50 9.410 1.759 -7.570 362 HA GLU 50 HA GLU 50 9.216 2.517 -5.100 363 HB2 GLU 50 HB2 GLU 50 11.611 2.720 -5.085 364 HB3 GLU 50 HB3 GLU 50 11.098 1.473 -6.208 365 HG2 GLU 50 HG2 GLU 50 11.446 3.030 -8.118 366 HG3 GLU 50 HG3 GLU 50 11.960 4.288 -7.007 367 H VAL 51 H VAL 51 8.242 5.003 -6.917 368 HA VAL 51 HA VAL 51 10.008 7.113 -5.873 369 HB VAL 51 HB VAL 51 9.330 8.421 -7.714 370 HG11 VAL 51 HG11 VAL 51 9.534 5.559 -8.745 371 HG12 VAL 51 HG12 VAL 51 10.007 7.038 -9.584 372 HG13 VAL 51 HG13 VAL 51 10.909 6.508 -8.150 373 HG21 VAL 51 HG21 VAL 51 6.917 8.058 -7.846 374 HG22 VAL 51 HG22 VAL 51 7.651 7.657 -9.396 375 HG23 VAL 51 HG23 VAL 51 7.161 6.352 -8.295 376 H GLY 52 H GLY 52 6.520 6.373 -5.781 377 HA2 GLY 52 HA2 GLY 52 4.872 7.171 -4.346 378 HA3 GLY 52 HA3 GLY 52 6.067 8.134 -3.491 379 H HIS 53 H HIS 53 3.516 9.089 -4.018 380 HA HIS 53 HA HIS 53 3.594 10.865 -6.330 381 HB2 HIS 53 HB2 HIS 53 1.494 10.347 -4.215 382 HB3 HIS 53 HB3 HIS 53 1.289 11.493 -5.533 383 HD1 HIS 53 HD1 HIS 53 1.385 7.733 -4.959 384 HD2 HIS 53 HD2 HIS 53 1.090 10.532 -8.063 385 HE1 HIS 53 HE1 HIS 53 0.603 6.441 -6.997 386 H TYR 54 H TYR 54 5.618 11.414 -4.272 387 HA TYR 54 HA TYR 54 4.963 13.944 -3.017 388 HB2 TYR 54 HB2 TYR 54 6.771 12.530 -2.184 389 HB3 TYR 54 HB3 TYR 54 7.615 12.651 -3.725 390 HD1 TYR 54 HD2 TYR 54 6.152 14.924 -1.083 391 HD2 TYR 54 HD1 TYR 54 9.348 14.211 -3.895 392 HE1 TYR 54 HE2 TYR 54 7.213 17.068 -0.418 393 HE2 TYR 54 HE1 TYR 54 10.410 16.363 -3.213 394 HH TYR 54 HH TYR 54 9.020 18.501 -0.808 395 H ARG 55 H ARG 55 5.775 16.022 -3.612 396 HA ARG 55 HA ARG 55 4.919 16.870 -6.134 397 HB2 ARG 55 HB2 ARG 55 4.957 18.170 -4.040 398 HB3 ARG 55 HB3 ARG 55 6.702 18.319 -4.116 399 HG2 ARG 55 HG2 ARG 55 5.043 19.288 -6.455 400 HG3 ARG 55 HG3 ARG 55 5.037 20.227 -4.965 401 HD2 ARG 55 HD2 ARG 55 7.391 20.600 -5.036 402 HD3 ARG 55 HD3 ARG 55 7.641 19.493 -6.368 403 HE ARG 55 HE ARG 55 6.648 22.248 -6.479 404 HH11 ARG 55 HH11 ARG 55 6.790 19.283 -8.379 405 HH12 ARG 55 HH12 ARG 55 6.636 20.144 -9.890 406 HH21 ARG 55 HH21 ARG 55 6.357 23.251 -8.435 407 HH22 ARG 55 HH22 ARG 55 6.314 22.307 -9.905 408 H SER 56 H SER 56 8.169 15.914 -5.311 409 HA SER 56 HA SER 56 9.184 16.864 -7.945 410 HB2 SER 56 HB2 SER 56 10.683 15.769 -5.561 411 HB3 SER 56 HB3 SER 56 11.387 16.491 -7.022 412 HG SER 56 HG SER 56 11.087 18.056 -5.406 413 H GLN 57 H GLN 57 7.655 14.172 -7.046 414 HA GLN 57 HA GLN 57 9.280 12.313 -8.736 415 HB2 GLN 57 HB2 GLN 57 7.505 11.743 -6.334 416 HB3 GLN 57 HB3 GLN 57 8.304 10.516 -7.311 417 HG2 GLN 57 HG2 GLN 57 9.723 12.668 -5.660 418 HG3 GLN 57 HG3 GLN 57 9.472 11.013 -5.154 419 HE21 GLN 57 HE21 GLN 57 12.049 11.915 -5.119 420 HE22 GLN 57 HE22 GLN 57 12.939 11.200 -6.458 421 H CYS 58 H CYS 58 5.987 13.361 -7.861 422 HA CYS 58 HA CYS 58 5.062 12.622 -10.582 423 HB2 CYS 58 HB2 CYS 58 3.499 12.310 -7.983 424 HB3 CYS 58 HB3 CYS 58 2.804 12.168 -9.598 425 HG CYS 58 HG CYS 58 5.122 10.332 -8.158 426 HA PRO 59 HA PRO 59 3.660 16.852 -10.769 427 HB2 PRO 59 HB2 PRO 59 1.057 15.851 -11.895 428 HB3 PRO 59 HB3 PRO 59 2.154 17.113 -12.533 429 HG2 PRO 59 HG2 PRO 59 2.120 14.641 -13.651 430 HG3 PRO 59 HG3 PRO 59 3.682 15.474 -13.360 431 HD2 PRO 59 HD2 PRO 59 2.354 13.347 -11.662 432 HD3 PRO 59 HD3 PRO 59 4.051 13.458 -12.216 433 H HIS 60 H HIS 60 2.517 18.342 -9.547 434 HA HIS 60 HA HIS 60 1.085 17.277 -7.219 435 HB2 HIS 60 HB2 HIS 60 1.299 19.512 -6.324 436 HB3 HIS 60 HB3 HIS 60 2.838 18.915 -6.919 437 HD1 HIS 60 HD1 HIS 60 0.358 21.726 -7.468 438 HD2 HIS 60 HD2 HIS 60 3.832 20.128 -9.203 439 HE1 HIS 60 HE1 HIS 60 1.173 23.444 -9.147 440 H LYS 61 H LYS 61 0.252 19.252 -10.025 441 HA LYS 61 HA LYS 61 -2.624 18.696 -9.669 442 HB2 LYS 61 HB2 LYS 61 -1.483 21.511 -9.980 443 HB3 LYS 61 HB3 LYS 61 -3.169 21.088 -10.271 444 HG2 LYS 61 HG2 LYS 61 -3.369 20.280 -7.921 445 HG3 LYS 61 HG3 LYS 61 -1.715 20.841 -7.611 446 HD2 LYS 61 HD2 LYS 61 -2.393 23.156 -8.207 447 HD3 LYS 61 HD3 LYS 61 -4.052 22.588 -8.495 448 HE2 LYS 61 HE2 LYS 61 -4.161 21.778 -6.142 449 HE3 LYS 61 HE3 LYS 61 -2.534 22.382 -5.860 450 HZ1 LYS 61 HZ1 LYS 61 -4.190 23.963 -5.097 451 HZ2 LYS 61 HZ2 LYS 61 -3.363 24.630 -6.331 452 HZ3 LYS 61 HZ3 LYS 61 -4.878 24.058 -6.568 453 H TRP 62 H TRP 62 -3.836 18.989 -11.604 454 HA TRP 62 HA TRP 62 -2.196 18.660 -14.092 455 HB2 TRP 62 HB2 TRP 62 -4.782 17.256 -13.408 456 HB3 TRP 62 HB3 TRP 62 -3.690 16.906 -14.737 457 HD1 TRP 62 HD1 TRP 62 -1.313 15.758 -14.073 458 HE1 TRP 62 HE1 TRP 62 -0.703 14.137 -12.190 459 HE3 TRP 62 HE3 TRP 62 -5.282 16.606 -10.961 460 HZ2 TRP 62 HZ2 TRP 62 -1.759 13.339 -9.638 461 HZ3 TRP 62 HZ3 TRP 62 -5.452 15.390 -8.803 462 HH2 TRP 62 HH2 TRP 62 -3.708 13.762 -8.134 463 H LYS 63 H LYS 63 -4.196 20.904 -12.864 464 HA LYS 63 HA LYS 63 -5.380 21.694 -15.472 465 HB2 LYS 63 HB2 LYS 63 -6.981 20.238 -14.096 466 HB3 LYS 63 HB3 LYS 63 -6.968 21.498 -12.880 467 HG2 LYS 63 HG2 LYS 63 -8.936 21.772 -14.146 468 HG3 LYS 63 HG3 LYS 63 -7.864 23.097 -14.629 469 HD2 LYS 63 HD2 LYS 63 -7.405 22.053 -16.760 470 HD3 LYS 63 HD3 LYS 63 -8.021 20.499 -16.199 471 HE2 LYS 63 HE2 LYS 63 -9.635 21.399 -17.700 472 HE3 LYS 63 HE3 LYS 63 -10.307 21.390 -16.079 473 HZ1 LYS 63 HZ1 LYS 63 -9.226 23.785 -17.467 474 HZ2 LYS 63 HZ2 LYS 63 -10.805 23.464 -17.193 475 HZ3 LYS 63 HZ3 LYS 63 -9.831 23.773 -15.944 476 H LYS 64 H LYS 64 -5.522 23.883 -15.762 477 HA LYS 64 HA LYS 64 -4.020 25.635 -13.982 478 HB2 LYS 64 HB2 LYS 64 -5.594 26.182 -16.531 479 HB3 LYS 64 HB3 LYS 64 -4.616 27.382 -15.681 480 HG2 LYS 64 HG2 LYS 64 -2.601 25.982 -15.949 481 HG3 LYS 64 HG3 LYS 64 -3.531 24.779 -16.845 482 HD2 LYS 64 HD2 LYS 64 -3.153 27.680 -17.710 483 HD3 LYS 64 HD3 LYS 64 -2.189 26.312 -18.280 484 HE2 LYS 64 HE2 LYS 64 -4.285 25.231 -19.128 485 HE3 LYS 64 HE3 LYS 64 -5.188 26.670 -18.670 486 HZ1 LYS 64 HZ1 LYS 64 -2.974 26.599 -20.644 487 HZ2 LYS 64 HZ2 LYS 64 -4.554 26.736 -21.003 488 HZ3 LYS 64 HZ3 LYS 64 -3.794 27.946 -20.217 489 H VAL 65 H VAL 65 -7.432 25.330 -14.761 490 HA VAL 65 HA VAL 65 -8.218 26.590 -12.220 491 HB VAL 65 HB VAL 65 -8.340 28.538 -13.512 492 HG11 VAL 65 HG11 VAL 65 -8.080 27.737 -15.788 493 HG12 VAL 65 HG12 VAL 65 -9.690 26.979 -15.750 494 HG13 VAL 65 HG13 VAL 65 -9.528 28.741 -15.692 495 HG21 VAL 65 HG21 VAL 65 -10.428 28.040 -12.207 496 HG22 VAL 65 HG22 VAL 65 -10.650 29.143 -13.568 497 HG23 VAL 65 HG23 VAL 65 -11.171 27.462 -13.728 498 H GLN 66 H GLN 66 -9.902 25.474 -11.318 499 HA GLN 66 HA GLN 66 -10.560 22.941 -12.458 500 HB2 GLN 66 HB2 GLN 66 -10.443 23.522 -10.005 501 HB3 GLN 66 HB3 GLN 66 -11.932 24.441 -10.188 502 HG2 GLN 66 HG2 GLN 66 -12.437 22.295 -9.214 503 HG3 GLN 66 HG3 GLN 66 -13.147 22.360 -10.814 504 HE21 GLN 66 HE22 GLN 66 -13.170 19.901 -10.308 505 HE22 GLN 66 HE21 GLN 66 -11.728 19.011 -10.784 506 H CYS 67 H CYS 67 -12.225 26.043 -12.518 507 HA CYS 67 HA CYS 67 -14.670 25.033 -13.666 508 HB2 CYS 67 HB2 CYS 67 -13.695 27.899 -13.805 509 HB3 CYS 67 HB3 CYS 67 -15.353 27.292 -13.786 510 HG CYS 67 HG CYS 67 -15.244 26.292 -11.361 511 H THR 68 H THR 68 -15.498 25.924 -15.608 512 HA THR 68 HA THR 68 -13.813 25.360 -18.004 513 HB THR 68 HB THR 68 -15.997 24.143 -18.636 514 HG1 THR 68 HG1 THR 68 -17.326 23.783 -16.787 515 HG21 THR 68 HG21 THR 68 -14.007 22.918 -17.661 516 HG22 THR 68 HG22 THR 68 -14.703 23.143 -16.045 517 HG23 THR 68 HG23 THR 68 -15.563 22.177 -17.256 518 H LEU 69 H LEU 69 -16.420 27.248 -16.604 519 HA LEU 69 HA LEU 69 -17.086 28.794 -19.000 520 HB2 LEU 69 HB2 LEU 69 -17.568 29.198 -16.012 521 HB3 LEU 69 HB3 LEU 69 -18.135 30.286 -17.259 522 HG LEU 69 HG LEU 69 -19.583 28.518 -18.205 523 HD11 LEU 69 HD11 LEU 69 -18.671 26.898 -15.783 524 HD12 LEU 69 HD12 LEU 69 -20.144 26.555 -16.711 525 HD13 LEU 69 HD13 LEU 69 -18.578 26.426 -17.502 526 HD21 LEU 69 HD21 LEU 69 -20.401 30.165 -16.551 527 HD22 LEU 69 HD22 LEU 69 -21.230 28.613 -16.364 528 HD23 LEU 69 HD23 LEU 69 -19.944 29.075 -15.228 529 H CYS 70 H CYS 70 -14.593 28.827 -16.564 530 HA CYS 70 HA CYS 70 -14.115 31.729 -16.805 531 HB2 CYS 70 HB2 CYS 70 -12.995 29.750 -14.791 532 HB3 CYS 70 HB3 CYS 70 -12.990 31.505 -14.678 533 HG CYS 70 HG CYS 70 -15.599 31.795 -14.656 534 H LYS 71 H LYS 71 -12.060 32.655 -16.917 535 HA LYS 71 HA LYS 71 -9.925 31.164 -18.319 536 HB2 LYS 71 HB2 LYS 71 -10.673 33.555 -18.888 537 HB3 LYS 71 HB3 LYS 71 -9.945 34.060 -17.375 538 HG2 LYS 71 HG2 LYS 71 -8.482 34.544 -19.219 539 HG3 LYS 71 HG3 LYS 71 -7.712 33.316 -18.226 540 HD2 LYS 71 HD2 LYS 71 -8.391 31.568 -19.875 541 HD3 LYS 71 HD3 LYS 71 -9.252 32.802 -20.817 542 HE2 LYS 71 HE2 LYS 71 -7.114 34.018 -21.151 543 HE3 LYS 71 HE3 LYS 71 -6.265 32.783 -20.231 544 HZ1 LYS 71 HZ1 LYS 71 -7.704 32.321 -22.787 545 HZ2 LYS 71 HZ2 LYS 71 -6.089 32.385 -22.611 546 HZ3 LYS 71 HZ3 LYS 71 -6.927 31.162 -21.935 547 H SER 72 H SER 72 -7.698 31.402 -17.402 548 HA SER 72 HA SER 72 -7.476 30.289 -14.753 549 HB2 SER 72 HB2 SER 72 -5.010 30.315 -15.494 550 HB3 SER 72 HB3 SER 72 -6.142 29.416 -16.515 551 HG SER 72 HG SER 72 -4.760 30.948 -17.646 552 H LYS 73 H LYS 73 -8.535 32.789 -14.428 553 HA LYS 73 HA LYS 73 -6.427 34.584 -13.331 554 HB2 LYS 73 HB2 LYS 73 -8.114 35.386 -15.039 555 HB3 LYS 73 HB3 LYS 73 -9.375 35.158 -13.831 556 HG2 LYS 73 HG2 LYS 73 -8.373 36.875 -12.405 557 HG3 LYS 73 HG3 LYS 73 -6.939 36.957 -13.453 558 HD2 LYS 73 HD2 LYS 73 -8.363 37.760 -15.323 559 HD3 LYS 73 HD3 LYS 73 -9.784 37.708 -14.260 560 HE2 LYS 73 HE2 LYS 73 -8.724 39.350 -12.754 561 HE3 LYS 73 HE3 LYS 73 -7.276 39.362 -13.754 562 HZ1 LYS 73 HZ1 LYS 73 -9.960 40.258 -14.651 563 HZ2 LYS 73 HZ2 LYS 73 -8.712 41.236 -14.278 564 HZ3 LYS 73 HZ3 LYS 73 -8.612 40.260 -15.578 565 H LYS 74 H LYS 74 -6.931 35.614 -11.239 566 HA LYS 74 HA LYS 74 -7.246 33.762 -9.143 567 HB2 LYS 74 HB2 LYS 74 -6.054 35.925 -9.047 568 HB3 LYS 74 HB3 LYS 74 -7.596 36.784 -9.064 569 HG2 LYS 74 HG2 LYS 74 -8.217 35.727 -6.907 570 HG3 LYS 74 HG3 LYS 74 -6.696 34.831 -6.894 571 HD2 LYS 74 HD2 LYS 74 -7.024 37.859 -6.819 572 HD3 LYS 74 HD3 LYS 74 -6.684 36.846 -5.426 573 HE2 LYS 74 HE2 LYS 74 -4.841 37.192 -7.831 574 HE3 LYS 74 HE3 LYS 74 -4.703 38.066 -6.318 575 HZ1 LYS 74 HZ1 LYS 74 -4.354 35.938 -5.181 576 HZ2 LYS 74 HZ2 LYS 74 -4.417 35.126 -6.603 577 HZ3 LYS 74 HZ3 LYS 74 -3.217 36.189 -6.316 578 H HIS 75 H HIS 75 -8.795 33.338 -7.620 579 HA HIS 75 HA HIS 75 -11.616 34.196 -8.070 580 HB2 HIS 75 HB2 HIS 75 -10.558 31.355 -7.760 581 HB3 HIS 75 HB3 HIS 75 -12.232 31.786 -7.460 582 HD1 HIS 75 HD1 HIS 75 -11.310 33.674 -10.458 583 HD2 HIS 75 HD2 HIS 75 -12.325 29.729 -9.475 584 HE1 HIS 75 HE1 HIS 75 -12.074 32.580 -12.619 585 H SER 76 H SER 76 -12.966 33.900 -6.235 586 HA SER 76 HA SER 76 -11.587 33.652 -3.594 587 HB2 SER 76 HB2 SER 76 -12.905 35.687 -3.837 588 HB3 SER 76 HB3 SER 76 -14.349 34.707 -4.216 589 HG SER 76 HG SER 76 -13.989 35.250 -1.925 590 H LYS 77 H LYS 77 -12.297 32.169 -2.097 591 HA LYS 77 HA LYS 77 -13.138 29.608 -3.049 592 HB2 LYS 77 HB2 LYS 77 -12.931 30.758 -0.236 593 HB3 LYS 77 HB3 LYS 77 -13.246 29.057 -0.598 594 HG2 LYS 77 HG2 LYS 77 -11.085 28.830 -1.714 595 HG3 LYS 77 HG3 LYS 77 -10.762 30.557 -1.535 596 HD2 LYS 77 HD2 LYS 77 -9.519 29.305 0.132 597 HD3 LYS 77 HD3 LYS 77 -10.717 30.347 0.909 598 HE2 LYS 77 HE2 LYS 77 -12.233 28.393 1.173 599 HE3 LYS 77 HE3 LYS 77 -11.039 27.362 0.391 600 HZ1 LYS 77 HZ1 LYS 77 -9.509 27.883 2.229 601 HZ2 LYS 77 HZ2 LYS 77 -10.650 28.805 2.954 602 HZ3 LYS 77 HZ3 LYS 77 -10.878 27.200 2.793 603 H GLU 78 H GLU 78 -14.977 32.106 -1.294 604 HA GLU 78 HA GLU 78 -17.439 30.442 -1.374 605 HB2 GLU 78 HB2 GLU 78 -16.728 33.060 -0.006 606 HB3 GLU 78 HB3 GLU 78 -18.361 32.422 -0.065 607 HG2 GLU 78 HG2 GLU 78 -17.496 31.774 2.018 608 HG3 GLU 78 HG3 GLU 78 -17.632 30.334 1.034 609 H ARG 79 H ARG 79 -16.085 33.034 -3.207 610 HA ARG 79 HA ARG 79 -18.752 33.755 -4.388 611 HB2 ARG 79 HB2 ARG 79 -16.375 35.547 -3.761 612 HB3 ARG 79 HB3 ARG 79 -17.858 36.070 -4.554 613 HG2 ARG 79 HG2 ARG 79 -17.636 35.046 -1.692 614 HG3 ARG 79 HG3 ARG 79 -17.809 36.721 -2.212 615 HD2 ARG 79 HD2 ARG 79 -20.010 36.118 -3.270 616 HD3 ARG 79 HD3 ARG 79 -19.849 34.497 -2.584 617 HE ARG 79 HE ARG 79 -19.766 36.898 -0.799 618 HH11 ARG 79 HH11 ARG 79 -21.525 34.000 -1.730 619 HH12 ARG 79 HH12 ARG 79 -22.621 34.126 -0.368 620 HH21 ARG 79 HH21 ARG 79 -21.176 36.985 0.907 621 HH22 ARG 79 HH22 ARG 79 -22.406 35.764 1.095 622 H CYS 80 H CYS 80 -15.924 32.327 -5.283 623 HA CYS 80 HA CYS 80 -14.837 31.951 -7.167 624 HB2 CYS 80 HB2 CYS 80 -16.717 30.517 -7.211 625 HB3 CYS 80 HB3 CYS 80 -17.642 31.643 -8.192 626 HG CYS 80 HG CYS 80 -16.698 29.705 -9.704 627 HA PRO 81 HA PRO 81 -14.650 35.101 -10.505 628 HB2 PRO 81 HB2 PRO 81 -17.360 36.362 -10.808 629 HB3 PRO 81 HB3 PRO 81 -16.176 35.916 -12.068 630 HG2 PRO 81 HG2 PRO 81 -18.382 34.403 -11.652 631 HG3 PRO 81 HG3 PRO 81 -16.793 33.617 -11.932 632 HD2 PRO 81 HD2 PRO 81 -18.176 34.158 -9.290 633 HD3 PRO 81 HD3 PRO 81 -17.455 32.646 -9.924 634 H SER 82 H SER 82 -16.936 36.067 -7.975 635 HA SER 82 HA SER 82 -15.930 38.819 -7.830 636 HB2 SER 82 HB2 SER 82 -18.081 37.328 -6.319 637 HB3 SER 82 HB3 SER 82 -17.654 39.035 -6.051 638 HG SER 82 HG SER 82 -19.258 38.759 -7.672 639 H ILE 83 H ILE 83 -15.079 39.799 -5.989 640 HA ILE 83 HA ILE 83 -13.724 38.129 -3.983 641 HB ILE 83 HB ILE 83 -12.376 38.087 -6.090 642 HG12 ILE 83 HG12 ILE 83 -10.880 39.470 -3.841 643 HG13 ILE 83 HG13 ILE 83 -11.437 37.793 -3.770 644 HG21 ILE 83 HG21 ILE 83 -11.153 40.027 -6.872 645 HG22 ILE 83 HG22 ILE 83 -12.873 40.414 -6.865 646 HG23 ILE 83 HG23 ILE 83 -11.821 41.037 -5.575 647 HD11 ILE 83 HD11 ILE 83 -9.114 37.833 -4.439 648 HD12 ILE 83 HD12 ILE 83 -10.097 37.262 -5.797 649 HD13 ILE 83 HD13 ILE 83 -9.459 38.925 -5.791 650 H TRP 84 H TRP 84 -12.660 39.408 -2.294 651 HA TRP 84 HA TRP 84 -14.254 41.671 -1.506 652 HB2 TRP 84 HB2 TRP 84 -13.293 40.044 0.073 653 HB3 TRP 84 HB3 TRP 84 -11.673 40.595 -0.339 654 HD1 TRP 84 HD1 TRP 84 -11.037 43.128 0.391 655 HE1 TRP 84 HE1 TRP 84 -11.863 44.621 2.285 656 HE3 TRP 84 HE3 TRP 84 -15.292 40.581 1.665 657 HZ2 TRP 84 HZ2 TRP 84 -13.954 44.632 4.240 658 HZ3 TRP 84 HZ3 TRP 84 -16.680 41.368 3.570 659 HH2 TRP 84 HH2 TRP 84 -16.024 43.380 4.860 660 H ARG 85 H ARG 85 -13.981 43.764 -1.767 661 HA ARG 85 HA ARG 85 -11.349 44.959 -2.536 662 HB2 ARG 85 HB2 ARG 85 -14.022 45.512 -3.888 663 HB3 ARG 85 HB3 ARG 85 -12.513 46.357 -4.217 664 HG2 ARG 85 HG2 ARG 85 -11.480 44.277 -5.044 665 HG3 ARG 85 HG3 ARG 85 -12.986 43.391 -4.728 666 HD2 ARG 85 HD2 ARG 85 -14.194 44.877 -6.275 667 HD3 ARG 85 HD3 ARG 85 -12.686 45.722 -6.651 668 HE ARG 85 HE ARG 85 -12.013 43.140 -7.207 669 HH11 ARG 85 HH11 ARG 85 -14.731 45.074 -8.316 670 HH12 ARG 85 HH12 ARG 85 -14.901 44.153 -9.795 671 HH21 ARG 85 HH21 ARG 85 -12.277 42.017 -9.109 672 HH22 ARG 85 HH22 ARG 85 -13.532 42.477 -10.230 673 H ALA 86 H ALA 86 -13.532 44.978 -0.141 674 HA ALA 86 HA ALA 86 -14.121 47.854 -0.064 675 HB1 ALA 86 HB1 ALA 86 -15.649 47.255 1.741 676 HB2 ALA 86 HB2 ALA 86 -15.898 46.232 0.319 677 HB3 ALA 86 HB3 ALA 86 -15.036 45.588 1.735 678 H TYR 87 H TYR 87 -13.836 49.213 1.719 679 HA TYR 87 HA TYR 87 -11.945 48.561 3.859 680 HB2 TYR 87 HB2 TYR 87 -10.529 49.254 1.909 681 HB3 TYR 87 HB3 TYR 87 -11.391 50.783 1.856 682 HD1 TYR 87 HD1 TYR 87 -9.477 48.627 4.289 683 HD2 TYR 87 HD2 TYR 87 -10.420 52.616 2.947 684 HE1 TYR 87 HE1 TYR 87 -7.870 49.560 5.939 685 HE2 TYR 87 HE2 TYR 87 -8.797 53.546 4.595 686 HH TYR 87 HH TYR 87 -6.922 51.530 6.771 687 H ILE 88 H ILE 88 -11.823 50.323 5.474 688 HA ILE 88 HA ILE 88 -14.206 52.096 5.559 689 HB ILE 88 HB ILE 88 -14.764 51.476 7.769 690 HG12 ILE 88 HG12 ILE 88 -12.694 50.838 8.801 691 HG13 ILE 88 HG13 ILE 88 -13.911 49.602 9.013 692 HG21 ILE 88 HG21 ILE 88 -15.844 50.279 5.936 693 HG22 ILE 88 HG22 ILE 88 -14.657 48.966 6.059 694 HG23 ILE 88 HG23 ILE 88 -15.760 49.302 7.406 695 HD11 ILE 88 HD11 ILE 88 -11.490 49.458 7.174 696 HD12 ILE 88 HD12 ILE 88 -11.804 48.531 8.644 697 HD13 ILE 88 HD13 ILE 88 -12.792 48.236 7.206 698 H LEU 89 H LEU 89 -14.099 53.909 6.878 699 HA LEU 89 HA LEU 89 -11.509 55.128 6.872 700 HB2 LEU 89 HB2 LEU 89 -13.623 56.243 6.267 701 HB3 LEU 89 HB3 LEU 89 -14.193 56.095 7.925 702 HG LEU 89 HG LEU 89 -12.411 57.636 8.697 703 HD11 LEU 89 HD11 LEU 89 -11.705 57.854 5.732 704 HD12 LEU 89 HD12 LEU 89 -11.101 58.924 7.018 705 HD13 LEU 89 HD13 LEU 89 -10.652 57.218 7.020 706 HD21 LEU 89 HD21 LEU 89 -14.015 58.715 6.345 707 HD22 LEU 89 HD22 LEU 89 -14.611 58.512 8.007 708 HD23 LEU 89 HD23 LEU 89 -13.313 59.669 7.671 709 H VAL 90 H VAL 90 -13.350 53.678 9.469 710 HA VAL 90 HA VAL 90 -13.070 53.520 11.707 711 HB VAL 90 HB VAL 90 -11.655 51.861 10.626 712 HG11 VAL 90 HG11 VAL 90 -9.228 51.895 10.814 713 HG12 VAL 90 HG12 VAL 90 -9.803 53.166 9.736 714 HG13 VAL 90 HG13 VAL 90 -9.266 53.574 11.384 715 HG21 VAL 90 HG21 VAL 90 -12.184 51.764 13.022 716 HG22 VAL 90 HG22 VAL 90 -10.649 50.994 12.602 717 HG23 VAL 90 HG23 VAL 90 -10.646 52.578 13.390 718 H ASP 91 H ASP 91 -13.164 56.161 11.188 719 HA ASP 91 HA ASP 91 -12.768 58.244 11.930 720 HB2 ASP 91 HB2 ASP 91 -12.091 56.804 14.505 721 HB3 ASP 91 HB3 ASP 91 -12.415 58.524 14.368 722 H ASP 92 H ASP 92 -10.373 56.923 10.692 723 HA ASP 92 HA ASP 92 -8.073 58.134 12.009 724 HB2 ASP 92 HB2 ASP 92 -8.066 55.877 10.949 725 HB3 ASP 92 HB3 ASP 92 -8.267 56.643 9.377 726 H ASN 93 H ASN 93 -6.541 59.530 10.985 727 HA ASN 93 HA ASN 93 -7.535 61.334 8.842 728 HB2 ASN 93 HB2 ASN 93 -7.981 62.347 11.074 729 HB3 ASN 93 HB3 ASN 93 -6.266 62.214 11.467 730 HD21 ASN 93 HD22 ASN 93 -6.962 64.647 11.812 731 HD22 ASN 93 HD21 ASN 93 -6.609 65.677 10.426 732 H GLU 94 H GLU 94 -6.059 61.784 7.318 733 HA GLU 94 HA GLU 94 -3.503 60.388 7.300 734 HB2 GLU 94 HB2 GLU 94 -5.101 60.601 5.367 735 HB3 GLU 94 HB3 GLU 94 -4.756 62.324 5.319 736 HG2 GLU 94 HG2 GLU 94 -3.507 61.323 3.594 737 HG3 GLU 94 HG3 GLU 94 -2.341 61.773 4.811 738 H LYS 95 H LYS 95 -4.492 63.718 7.900 739 HA LYS 95 HA LYS 95 -1.689 64.696 7.623 740 HB2 LYS 95 HB2 LYS 95 -2.597 66.884 7.156 741 HB3 LYS 95 HB3 LYS 95 -3.188 65.675 6.023 742 HG2 LYS 95 HG2 LYS 95 -5.375 65.629 7.110 743 HG3 LYS 95 HG3 LYS 95 -4.791 66.658 8.425 744 HD2 LYS 95 HD2 LYS 95 -6.131 67.970 6.905 745 HD3 LYS 95 HD3 LYS 95 -4.454 68.523 6.844 746 HE2 LYS 95 HE2 LYS 95 -4.112 67.224 4.750 747 HE3 LYS 95 HE3 LYS 95 -5.776 66.656 4.829 748 HZ1 LYS 95 HZ1 LYS 95 -6.510 68.963 4.593 749 HZ2 LYS 95 HZ2 LYS 95 -4.967 69.498 4.539 750 HZ3 LYS 95 HZ3 LYS 95 -5.548 68.560 3.342 751 H ALA 96 H ALA 96 -0.920 66.374 8.920 752 HA ALA 96 HA ALA 96 -2.094 66.810 11.584 753 HB1 ALA 96 HB1 ALA 96 -0.738 64.752 11.844 754 HB2 ALA 96 HB2 ALA 96 0.676 65.597 11.179 755 HB3 ALA 96 HB3 ALA 96 -0.021 66.107 12.731 756 H LYS 97 H LYS 97 -0.961 68.525 12.776 757 HA LYS 97 HA LYS 97 -0.320 70.791 11.098 758 HB2 LYS 97 HB2 LYS 97 -0.148 70.439 14.112 759 HB3 LYS 97 HB3 LYS 97 0.061 71.966 13.251 760 HG2 LYS 97 HG2 LYS 97 -2.243 71.802 12.357 761 HG3 LYS 97 HG3 LYS 97 -2.476 70.275 13.227 762 HD2 LYS 97 HD2 LYS 97 -2.078 71.441 15.384 763 HD3 LYS 97 HD3 LYS 97 -1.878 72.976 14.512 764 HE2 LYS 97 HE2 LYS 97 -4.177 72.773 13.623 765 HE3 LYS 97 HE3 LYS 97 -4.374 71.230 14.446 766 HZ1 LYS 97 HZ1 LYS 97 -5.356 73.037 15.720 767 HZ2 LYS 97 HZ2 LYS 97 -4.122 72.396 16.567 768 HZ3 LYS 97 HZ3 LYS 97 -3.936 73.831 15.805 769 HA PRO 98 HA PRO 98 4.115 70.005 10.885 770 HB2 PRO 98 HB2 PRO 98 4.265 72.937 10.221 771 HB3 PRO 98 HB3 PRO 98 5.009 71.551 9.373 772 HG2 PRO 98 HG2 PRO 98 2.799 72.741 8.366 773 HG3 PRO 98 HG3 PRO 98 2.919 70.951 8.379 774 HD2 PRO 98 HD2 PRO 98 1.459 72.747 10.338 775 HD3 PRO 98 HD3 PRO 98 0.903 71.254 9.520 776 H LYS 99 H LYS 99 2.793 72.654 12.771 777 HA LYS 99 HA LYS 99 4.930 72.547 14.800 778 HB2 LYS 99 HB2 LYS 99 5.335 74.981 14.674 779 HB3 LYS 99 HB3 LYS 99 5.801 74.152 13.195 780 HG2 LYS 99 HG2 LYS 99 3.690 74.888 12.102 781 HG3 LYS 99 HG3 LYS 99 3.225 75.745 13.582 782 HD2 LYS 99 HD2 LYS 99 5.149 77.261 13.351 783 HD3 LYS 99 HD3 LYS 99 5.788 76.284 12.027 784 HE2 LYS 99 HE2 LYS 99 4.763 78.171 11.007 785 HE3 LYS 99 HE3 LYS 99 3.759 76.765 10.683 786 HZ1 LYS 99 HZ1 LYS 99 2.394 77.566 12.674 787 HZ2 LYS 99 HZ2 LYS 99 3.191 78.967 12.572 788 HZ3 LYS 99 HZ3 LYS 99 2.292 78.460 11.312 789 H VAL 100 H VAL 100 4.437 73.762 16.722 790 HA VAL 100 HA VAL 100 1.544 73.839 17.346 791 HB VAL 100 HB VAL 100 2.192 74.063 19.672 792 HG11 VAL 100 HG11 VAL 100 1.992 71.823 18.642 793 HG12 VAL 100 HG12 VAL 100 3.738 71.820 18.312 794 HG13 VAL 100 HG13 VAL 100 3.145 71.859 19.984 795 HG21 VAL 100 HG21 VAL 100 4.293 75.347 19.475 796 HG22 VAL 100 HG22 VAL 100 4.518 73.866 20.409 797 HG23 VAL 100 HG23 VAL 100 5.096 73.936 18.736 798 H LEU 101 H LEU 101 3.683 76.091 16.139 799 HA LEU 101 HA LEU 101 2.639 78.387 17.657 800 HB2 LEU 101 HB2 LEU 101 4.648 78.272 15.374 801 HB3 LEU 101 HB3 LEU 101 4.174 79.706 16.248 802 HG LEU 101 HG LEU 101 6.238 79.175 17.101 803 HD11 LEU 101 HD11 LEU 101 4.592 79.683 18.882 804 HD12 LEU 101 HD12 LEU 101 4.356 77.936 19.144 805 HD13 LEU 101 HD13 LEU 101 5.937 78.680 19.447 806 HD21 LEU 101 HD21 LEU 101 6.441 76.866 16.244 807 HD22 LEU 101 HD22 LEU 101 7.033 77.062 17.895 808 HD23 LEU 101 HD23 LEU 101 5.470 76.278 17.621 809 HA PRO 102 HA PRO 102 -0.459 79.518 14.589 810 HB2 PRO 102 HB2 PRO 102 0.250 82.351 15.312 811 HB3 PRO 102 HB3 PRO 102 -1.359 81.573 15.239 812 HG2 PRO 102 HG2 PRO 102 -0.175 82.030 17.625 813 HG3 PRO 102 HG3 PRO 102 -0.996 80.465 17.320 814 HD2 PRO 102 HD2 PRO 102 1.965 81.091 17.127 815 HD3 PRO 102 HD3 PRO 102 1.138 79.732 17.951 816 H PHE 103 H PHE 103 -0.775 81.076 12.702 817 HA PHE 103 HA PHE 103 1.757 81.570 11.177 818 HB2 PHE 103 HB2 PHE 103 -1.079 81.050 10.232 819 HB3 PHE 103 HB3 PHE 103 0.245 81.513 9.185 820 HD1 PHE 103 HD2 PHE 103 -1.123 78.767 11.262 821 HD2 PHE 103 HD1 PHE 103 2.015 79.973 8.565 822 HE1 PHE 103 HE2 PHE 103 -0.470 76.394 10.952 823 HE2 PHE 103 HE1 PHE 103 2.647 77.598 8.245 824 HZ PHE 103 HZ PHE 103 1.408 75.805 9.437 825 H HIS 104 H HIS 104 -0.696 83.274 12.833 826 HA HIS 104 HA HIS 104 -0.624 85.648 11.090 827 HB2 HIS 104 HB2 HIS 104 -2.698 84.568 12.151 828 HB3 HIS 104 HB3 HIS 104 -2.166 85.286 13.664 829 HD1 HIS 104 HD1 HIS 104 -2.567 87.950 13.867 830 HD2 HIS 104 HD2 HIS 104 -3.611 86.198 10.203 831 HE1 HIS 104 HE1 HIS 104 -4.029 89.646 12.661 832 H THR 105 H THR 105 1.750 84.784 12.789 833 HA THR 105 HA THR 105 1.970 86.359 15.155 834 HB THR 105 HB THR 105 4.372 85.553 15.014 835 HG1 THR 105 HG1 THR 105 4.795 84.232 13.245 836 HG21 THR 105 HG21 THR 105 2.537 84.106 16.005 837 HG22 THR 105 HG22 THR 105 2.377 83.317 14.418 838 HG23 THR 105 HG23 THR 105 3.900 83.210 15.321 839 H ILE 106 H ILE 106 2.558 87.295 11.884 840 HA ILE 106 HA ILE 106 4.262 89.596 12.730 841 HB ILE 106 HB ILE 106 4.945 89.821 10.430 842 HG12 ILE 106 HG12 ILE 106 3.285 87.334 9.822 843 HG13 ILE 106 HG13 ILE 106 2.881 88.983 9.332 844 HG21 ILE 106 HG21 ILE 106 5.325 86.948 11.350 845 HG22 ILE 106 HG22 ILE 106 6.423 87.925 10.352 846 HG23 ILE 106 HG23 ILE 106 6.164 88.350 12.043 847 HD11 ILE 106 HD11 ILE 106 3.866 87.838 7.458 848 HD12 ILE 106 HD12 ILE 106 4.992 89.094 8.007 849 HD13 ILE 106 HD13 ILE 106 5.294 87.383 8.399 850 H TYR 107 H TYR 107 1.106 89.168 12.590 851 HA TYR 107 HA TYR 107 0.492 91.768 11.252 852 HB2 TYR 107 HB2 TYR 107 -1.152 89.232 11.406 853 HB3 TYR 107 HB3 TYR 107 -1.746 90.775 10.802 854 HD1 TYR 107 HD2 TYR 107 -0.464 91.906 8.861 855 HD2 TYR 107 HD1 TYR 107 -0.094 87.734 9.886 856 HE1 TYR 107 HE2 TYR 107 0.396 91.418 6.575 857 HE2 TYR 107 HE1 TYR 107 0.762 87.249 7.600 858 HH TYR 107 HH TYR 107 1.296 88.194 5.523 859 H CYS 108 H CYS 108 -1.216 92.952 11.975 860 HA CYS 108 HA CYS 108 -1.520 93.217 14.882 861 HB2 CYS 108 HB2 CYS 108 -0.914 95.179 13.752 862 HB3 CYS 108 HB3 CYS 108 -1.956 94.864 12.375 863 HG CYS 108 HG CYS 108 -2.873 95.691 15.420 864 H TYR 109 H TYR 109 -3.622 93.470 15.870 865 HA TYR 109 HA TYR 109 -5.978 92.318 14.475 866 HB2 TYR 109 HB2 TYR 109 -4.741 90.503 15.638 867 HB3 TYR 109 HB3 TYR 109 -4.869 91.390 17.148 868 HD1 TYR 109 HD2 TYR 109 -7.124 90.153 14.383 869 HD2 TYR 109 HD1 TYR 109 -6.536 90.694 18.620 870 HE1 TYR 109 HE2 TYR 109 -9.302 89.036 14.824 871 HE2 TYR 109 HE1 TYR 109 -8.711 89.563 19.061 872 HH TYR 109 HH TYR 109 -10.786 88.352 16.505 873 H ASN 110 H ASN 110 -4.733 94.482 16.946 874 HA ASN 110 HA ASN 110 -7.474 95.466 17.596 875 HB2 ASN 110 HB2 ASN 110 -6.097 94.380 19.442 876 HB3 ASN 110 HB3 ASN 110 -4.934 95.692 19.255 877 HD21 ASN 110 HD22 ASN 110 -5.457 95.987 21.618 878 HD22 ASN 110 HD21 ASN 110 -6.877 96.954 22.002 879 H CYS 111 H CYS 111 -7.371 97.850 18.281 880 HA CYS 111 HA CYS 111 -7.308 99.981 17.683 881 HB2 CYS 111 HB2 CYS 111 -5.312 101.086 18.275 882 HB3 CYS 111 HB3 CYS 111 -5.523 99.671 19.302 883 HG CYS 111 HG CYS 111 -3.821 98.155 17.874 884 H GLY 112 H GLY 112 -6.956 98.232 15.135 885 HA2 GLY 112 HA2 GLY 112 -7.462 100.185 13.211 886 HA3 GLY 112 HA3 GLY 112 -5.708 99.977 13.219 887 H GLY 113 H GLY 113 -6.188 99.321 10.957 888 HA2 GLY 113 HA2 GLY 113 -7.296 96.683 10.397 889 HA3 GLY 113 HA3 GLY 113 -6.368 97.693 9.293 890 H LYS 114 H LYS 114 -6.164 94.808 9.821 891 HA LYS 114 HA LYS 114 -4.082 94.126 11.575 892 HB2 LYS 114 HB2 LYS 114 -4.067 91.947 10.499 893 HB3 LYS 114 HB3 LYS 114 -5.706 92.512 10.795 894 HG2 LYS 114 HG2 LYS 114 -6.068 92.956 8.448 895 HG3 LYS 114 HG3 LYS 114 -4.348 92.812 8.082 896 HD2 LYS 114 HD2 LYS 114 -5.547 90.810 7.338 897 HD3 LYS 114 HD3 LYS 114 -4.344 90.449 8.563 898 HE2 LYS 114 HE2 LYS 114 -6.247 89.125 9.055 899 HE3 LYS 114 HE3 LYS 114 -6.134 90.353 10.298 900 HZ1 LYS 114 HZ1 LYS 114 -7.890 91.598 9.110 901 HZ2 LYS 114 HZ2 LYS 114 -7.971 90.431 7.963 902 HZ3 LYS 114 HZ3 LYS 114 -8.407 90.099 9.493 903 H GLY 115 H GLY 115 -3.621 95.612 8.538 904 HA2 GLY 115 HA2 GLY 115 -1.022 94.469 7.928 905 HA3 GLY 115 HA3 GLY 115 -1.779 95.868 7.173 906 H HIS 116 H HIS 116 -1.942 97.161 10.078 907 HA HIS 116 HA HIS 116 0.327 98.697 9.272 908 HB2 HIS 116 HB2 HIS 116 -0.459 100.461 10.350 909 HB3 HIS 116 HB3 HIS 116 -1.950 99.579 10.084 910 HD1 HIS 116 HD1 HIS 116 0.522 100.510 12.909 911 HD2 HIS 116 HD2 HIS 116 -3.332 98.947 12.293 912 HE1 HIS 116 HE1 HIS 116 -0.651 100.586 15.158 913 H PHE 117 H PHE 117 2.150 99.144 10.026 914 HA PHE 117 HA PHE 117 4.195 98.623 10.930 915 HB2 PHE 117 HB2 PHE 117 2.738 100.195 13.066 916 HB3 PHE 117 HB3 PHE 117 4.472 100.196 12.760 917 HD1 PHE 117 HD2 PHE 117 5.089 100.637 10.128 918 HD2 PHE 117 HD1 PHE 117 1.604 102.106 12.210 919 HE1 PHE 117 HE2 PHE 117 4.821 102.422 8.433 920 HE2 PHE 117 HE1 PHE 117 1.345 103.879 10.503 921 HZ PHE 117 HZ PHE 117 2.946 104.038 8.611 922 H GLY 118 H GLY 118 2.890 96.189 11.388 923 HA2 GLY 118 HA2 GLY 118 2.708 95.258 13.968 924 HA3 GLY 118 HA3 GLY 118 3.090 94.244 12.575 925 H ASP 119 H ASP 119 5.684 95.866 12.311 926 HA ASP 119 HA ASP 119 7.553 94.243 13.741 927 HB2 ASP 119 HB2 ASP 119 7.794 97.001 12.471 928 HB3 ASP 119 HB3 ASP 119 9.156 96.020 12.983 929 H ASP 120 H ASP 120 6.073 97.368 14.532 930 HA ASP 120 HA ASP 120 7.596 97.555 17.107 931 HB2 ASP 120 HB2 ASP 120 8.526 99.007 15.320 932 HB3 ASP 120 HB3 ASP 120 6.952 99.766 15.125 933 H CYS 121 H CYS 121 4.477 97.630 15.641 934 HA CYS 121 HA CYS 121 3.064 99.326 17.381 935 HB2 CYS 121 HB2 CYS 121 2.277 98.407 15.216 936 HB3 CYS 121 HB3 CYS 121 2.074 96.818 15.970 937 HG CYS 121 HG CYS 121 0.174 97.342 17.467 938 H LYS 122 H LYS 122 2.194 99.137 19.356 939 HA LYS 122 HA LYS 122 3.644 97.288 21.072 940 HB2 LYS 122 HB2 LYS 122 1.939 99.719 21.733 941 HB3 LYS 122 HB3 LYS 122 2.986 98.878 22.864 942 HG2 LYS 122 HG2 LYS 122 3.904 100.400 20.396 943 HG3 LYS 122 HG3 LYS 122 4.015 100.931 22.076 944 HD2 LYS 122 HD2 LYS 122 5.482 98.958 22.577 945 HD3 LYS 122 HD3 LYS 122 5.487 98.548 20.862 946 HE2 LYS 122 HE2 LYS 122 6.550 101.118 22.118 947 HE3 LYS 122 HE3 LYS 122 7.501 99.766 21.512 948 HZ1 LYS 122 HZ1 LYS 122 6.446 100.218 19.310 949 HZ2 LYS 122 HZ2 LYS 122 5.868 101.625 19.886 950 HZ3 LYS 122 HZ3 LYS 122 7.484 101.362 19.793 951 H GLU 123 H GLU 123 0.747 96.697 19.784 952 HA GLU 123 HA GLU 123 -0.767 95.876 22.112 953 HB2 GLU 123 HB2 GLU 123 -2.287 94.834 20.559 954 HB3 GLU 123 HB3 GLU 123 -1.839 96.452 20.029 955 HG2 GLU 123 HG2 GLU 123 -0.117 95.326 18.481 956 HG3 GLU 123 HG3 GLU 123 -0.873 93.791 18.902 957 H LYS 124 H LYS 124 -1.430 93.707 22.648 958 HA LYS 124 HA LYS 124 0.837 92.110 23.311 959 HB2 LYS 124 HB2 LYS 124 -0.709 90.665 24.460 960 HB3 LYS 124 HB3 LYS 124 -1.054 92.354 24.809 961 HG2 LYS 124 HG2 LYS 124 -2.959 92.311 23.215 962 HG3 LYS 124 HG3 LYS 124 -2.630 90.615 22.848 963 HD2 LYS 124 HD2 LYS 124 -3.374 91.690 25.602 964 HD3 LYS 124 HD3 LYS 124 -4.500 90.962 24.451 965 HE2 LYS 124 HE2 LYS 124 -3.158 88.862 24.486 966 HE3 LYS 124 HE3 LYS 124 -2.095 89.571 25.695 967 HZ1 LYS 124 HZ1 LYS 124 -4.012 89.743 27.187 968 HZ2 LYS 124 HZ2 LYS 124 -4.999 89.083 26.062 969 HZ3 LYS 124 HZ3 LYS 124 -3.801 88.198 26.719 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -23.475 17.686 1.664 2 H2 LYS 1 H2 LYS 1 -24.015 16.137 1.669 3 H3 LYS 1 H3 LYS 1 -23.088 16.674 0.438 4 HA LYS 1 HA LYS 1 -21.178 16.927 1.869 5 HB2 LYS 1 HB2 LYS 1 -23.086 15.877 4.002 6 HB3 LYS 1 HB3 LYS 1 -21.345 15.908 4.192 7 HG2 LYS 1 HG2 LYS 1 -23.096 18.370 3.802 8 HG3 LYS 1 HG3 LYS 1 -22.441 17.773 5.325 9 HD2 LYS 1 HD2 LYS 1 -20.117 18.036 4.380 10 HD3 LYS 1 HD3 LYS 1 -20.812 18.855 2.979 11 HE2 LYS 1 HE2 LYS 1 -21.150 19.725 5.882 12 HE3 LYS 1 HE3 LYS 1 -19.933 20.363 4.791 13 HZ1 LYS 1 HZ1 LYS 1 -21.715 21.196 3.363 14 HZ2 LYS 1 HZ2 LYS 1 -22.862 20.622 4.386 15 HZ3 LYS 1 HZ3 LYS 1 -21.857 21.806 4.863 16 H GLU 2 H GLU 2 -19.661 15.240 2.041 17 HA GLU 2 HA GLU 2 -20.502 12.735 0.706 18 HB2 GLU 2 HB2 GLU 2 -17.750 13.859 1.322 19 HB3 GLU 2 HB3 GLU 2 -18.083 12.380 0.414 20 HG2 GLU 2 HG2 GLU 2 -19.425 13.747 -1.219 21 HG3 GLU 2 HG3 GLU 2 -18.880 15.200 -0.395 22 H ALA 3 H ALA 3 -19.782 13.722 3.930 23 HA ALA 3 HA ALA 3 -20.018 10.947 4.884 24 HB1 ALA 3 HB1 ALA 3 -17.983 11.141 6.291 25 HB2 ALA 3 HB2 ALA 3 -17.582 11.248 4.570 26 HB3 ALA 3 HB3 ALA 3 -17.626 12.720 5.557 27 H ALA 4 H ALA 4 -21.052 10.800 6.821 28 HA ALA 4 HA ALA 4 -22.013 13.115 8.279 29 HB1 ALA 4 HB1 ALA 4 -22.005 10.142 8.964 30 HB2 ALA 4 HB2 ALA 4 -22.810 11.415 9.894 31 HB3 ALA 4 HB3 ALA 4 -23.317 11.074 8.231 32 HA PRO 5 HA PRO 5 -18.702 12.035 11.534 33 HB2 PRO 5 HB2 PRO 5 -16.589 10.373 11.004 34 HB3 PRO 5 HB3 PRO 5 -18.192 9.796 11.544 35 HG2 PRO 5 HG2 PRO 5 -17.194 9.991 8.668 36 HG3 PRO 5 HG3 PRO 5 -17.911 8.566 9.500 37 HD2 PRO 5 HD2 PRO 5 -19.388 10.149 7.965 38 HD3 PRO 5 HD3 PRO 5 -20.030 9.582 9.539 39 H LYS 6 H LYS 6 -17.263 12.182 8.306 40 HA LYS 6 HA LYS 6 -15.532 13.193 7.327 41 HB2 LYS 6 HB2 LYS 6 -16.885 15.129 7.714 42 HB3 LYS 6 HB3 LYS 6 -16.133 15.435 9.270 43 HG2 LYS 6 HG2 LYS 6 -14.243 15.200 6.956 44 HG3 LYS 6 HG3 LYS 6 -15.364 16.543 6.850 45 HD2 LYS 6 HD2 LYS 6 -13.793 16.060 9.397 46 HD3 LYS 6 HD3 LYS 6 -13.054 16.883 8.023 47 HE2 LYS 6 HE2 LYS 6 -15.738 17.793 9.116 48 HE3 LYS 6 HE3 LYS 6 -14.257 18.278 9.915 49 HZ1 LYS 6 HZ1 LYS 6 -14.915 19.921 8.277 50 HZ2 LYS 6 HZ2 LYS 6 -13.498 19.258 7.831 51 HZ3 LYS 6 HZ3 LYS 6 -14.878 18.830 7.068 52 H CYS 7 H CYS 7 -14.805 13.687 10.804 53 HA CYS 7 HA CYS 7 -12.293 12.188 10.597 54 HB2 CYS 7 HB2 CYS 7 -11.821 14.586 9.820 55 HB3 CYS 7 HB3 CYS 7 -12.145 15.079 11.500 56 HG CYS 7 HG CYS 7 -10.068 12.743 10.442 57 H ASN 8 H ASN 8 -11.321 11.819 12.770 58 HA ASN 8 HA ASN 8 -13.349 11.601 14.853 59 HB2 ASN 8 HB2 ASN 8 -11.834 10.308 16.044 60 HB3 ASN 8 HB3 ASN 8 -11.460 9.889 14.375 61 HD21 ASN 8 HD22 ASN 8 -9.747 9.506 16.678 62 HD22 ASN 8 HD21 ASN 8 -8.310 10.464 16.332 63 H ASN 9 H ASN 9 -10.763 13.840 14.170 64 HA ASN 9 HA ASN 9 -11.556 15.686 16.338 65 HB2 ASN 9 HB2 ASN 9 -10.066 13.956 17.407 66 HB3 ASN 9 HB3 ASN 9 -8.812 14.337 16.233 67 HD21 ASN 9 HD22 ASN 9 -7.396 14.847 18.024 68 HD22 ASN 9 HD21 ASN 9 -7.595 16.364 18.893 69 H CYS 10 H CYS 10 -9.141 14.948 13.763 70 HA CYS 10 HA CYS 10 -8.013 17.529 13.712 71 HB2 CYS 10 HB2 CYS 10 -7.919 15.552 11.412 72 HB3 CYS 10 HB3 CYS 10 -6.686 16.695 11.927 73 HG CYS 10 HG CYS 10 -6.118 15.520 14.192 74 H SER 11 H SER 11 -11.001 16.693 12.391 75 HA SER 11 HA SER 11 -12.341 17.367 10.708 76 HB2 SER 11 HB2 SER 11 -11.073 20.006 11.431 77 HB3 SER 11 HB3 SER 11 -12.536 19.833 10.440 78 HG SER 11 HG SER 11 -12.974 19.948 12.701 79 H GLN 12 H GLN 12 -9.791 16.356 9.747 80 HA GLN 12 HA GLN 12 -9.613 17.672 7.090 81 HB2 GLN 12 HB2 GLN 12 -7.727 16.111 8.793 82 HB3 GLN 12 HB3 GLN 12 -7.646 15.757 7.076 83 HG2 GLN 12 HG2 GLN 12 -7.468 18.567 8.244 84 HG3 GLN 12 HG3 GLN 12 -6.085 17.566 7.813 85 HE21 GLN 12 HE22 GLN 12 -5.934 19.848 6.523 86 HE22 GLN 12 HE21 GLN 12 -6.532 19.722 4.872 87 H ARG 13 H ARG 13 -9.388 16.315 5.223 88 HA ARG 13 HA ARG 13 -11.746 14.677 4.944 89 HB2 ARG 13 HB2 ARG 13 -11.292 14.721 2.594 90 HB3 ARG 13 HB3 ARG 13 -10.977 16.318 3.258 91 HG2 ARG 13 HG2 ARG 13 -8.508 15.740 3.309 92 HG3 ARG 13 HG3 ARG 13 -8.887 14.234 2.470 93 HD2 ARG 13 HD2 ARG 13 -9.451 17.039 1.426 94 HD3 ARG 13 HD3 ARG 13 -8.069 16.038 0.990 95 HE ARG 13 HE ARG 13 -10.835 15.016 0.479 96 HH11 ARG 13 HH11 ARG 13 -7.834 16.186 -0.945 97 HH12 ARG 13 HH12 ARG 13 -8.287 15.640 -2.544 98 HH21 ARG 13 HH21 ARG 13 -11.344 14.376 -1.582 99 HH22 ARG 13 HH22 ARG 13 -10.224 14.659 -2.891 100 H GLY 14 H GLY 14 -11.881 12.645 3.861 101 HA2 GLY 14 HA2 GLY 14 -11.305 10.482 3.304 102 HA3 GLY 14 HA3 GLY 14 -9.625 10.839 3.682 103 H HIS 15 H HIS 15 -9.159 11.015 6.139 104 HA HIS 15 HA HIS 15 -10.059 8.463 7.209 105 HB2 HIS 15 HB2 HIS 15 -8.192 8.431 8.573 106 HB3 HIS 15 HB3 HIS 15 -7.721 8.936 6.979 107 HD1 HIS 15 HD1 HIS 15 -5.718 9.497 9.187 108 HD2 HIS 15 HD2 HIS 15 -8.781 12.175 8.156 109 HE1 HIS 15 HE1 HIS 15 -4.941 11.785 9.936 110 H LEU 16 H LEU 16 -12.158 9.040 7.555 111 HA LEU 16 HA LEU 16 -13.193 10.733 9.575 112 HB2 LEU 16 HB2 LEU 16 -15.225 9.421 9.303 113 HB3 LEU 16 HB3 LEU 16 -14.502 9.928 7.788 114 HG LEU 16 HG LEU 16 -13.514 7.522 7.627 115 HD11 LEU 16 HD11 LEU 16 -13.957 6.697 9.888 116 HD12 LEU 16 HD12 LEU 16 -15.693 7.119 9.739 117 HD13 LEU 16 HD13 LEU 16 -14.989 5.826 8.759 118 HD21 LEU 16 HD21 LEU 16 -15.541 6.691 6.600 119 HD22 LEU 16 HD22 LEU 16 -16.529 7.908 7.440 120 HD23 LEU 16 HD23 LEU 16 -15.332 8.399 6.215 121 H LYS 17 H LYS 17 -14.692 9.560 11.342 122 HA LYS 17 HA LYS 17 -13.270 9.402 13.584 123 HB2 LYS 17 HB2 LYS 17 -15.871 9.213 13.060 124 HB3 LYS 17 HB3 LYS 17 -15.644 7.531 13.469 125 HG2 LYS 17 HG2 LYS 17 -14.925 9.942 15.187 126 HG3 LYS 17 HG3 LYS 17 -16.368 8.960 15.364 127 HD2 LYS 17 HD2 LYS 17 -13.507 8.044 15.906 128 HD3 LYS 17 HD3 LYS 17 -14.736 8.470 17.090 129 HE2 LYS 17 HE2 LYS 17 -16.182 6.606 16.196 130 HE3 LYS 17 HE3 LYS 17 -14.839 6.101 15.178 131 HZ1 LYS 17 HZ1 LYS 17 -14.794 6.227 18.142 132 HZ2 LYS 17 HZ2 LYS 17 -14.868 4.867 17.257 133 HZ3 LYS 17 HZ3 LYS 17 -13.521 5.785 17.222 134 H LYS 18 H LYS 18 -14.408 6.340 12.190 135 HA LYS 18 HA LYS 18 -12.531 4.687 13.689 136 HB2 LYS 18 HB2 LYS 18 -13.692 2.821 12.649 137 HB3 LYS 18 HB3 LYS 18 -14.836 3.980 13.320 138 HG2 LYS 18 HG2 LYS 18 -15.367 4.854 11.116 139 HG3 LYS 18 HG3 LYS 18 -14.044 3.943 10.374 140 HD2 LYS 18 HD2 LYS 18 -16.110 2.870 9.842 141 HD3 LYS 18 HD3 LYS 18 -15.196 1.820 10.931 142 HE2 LYS 18 HE2 LYS 18 -16.589 2.580 12.834 143 HE3 LYS 18 HE3 LYS 18 -17.459 3.683 11.771 144 HZ1 LYS 18 HZ1 LYS 18 -18.267 1.759 10.530 145 HZ2 LYS 18 HZ2 LYS 18 -17.447 0.728 11.496 146 HZ3 LYS 18 HZ3 LYS 18 -18.677 1.609 12.098 147 H ASP 19 H ASP 19 -11.933 6.431 10.952 148 HA ASP 19 HA ASP 19 -10.030 4.434 9.794 149 HB2 ASP 19 HB2 ASP 19 -11.659 6.676 8.629 150 HB3 ASP 19 HB3 ASP 19 -10.114 6.290 7.902 151 H CYS 20 H CYS 20 -10.123 7.457 11.532 152 HA CYS 20 HA CYS 20 -8.026 8.874 10.621 153 HB2 CYS 20 HB2 CYS 20 -9.564 9.525 12.418 154 HB3 CYS 20 HB3 CYS 20 -8.628 8.563 13.576 155 HG CYS 20 HG CYS 20 -8.008 11.151 13.701 156 HA PRO 21 HA PRO 21 -4.502 6.659 12.827 157 HB2 PRO 21 HB2 PRO 21 -4.728 4.434 14.342 158 HB3 PRO 21 HB3 PRO 21 -5.228 6.041 14.943 159 HG2 PRO 21 HG2 PRO 21 -6.982 3.887 13.725 160 HG3 PRO 21 HG3 PRO 21 -7.234 4.774 15.260 161 HD2 PRO 21 HD2 PRO 21 -8.426 5.523 12.915 162 HD3 PRO 21 HD3 PRO 21 -7.921 6.704 14.160 163 H HIS 22 H HIS 22 -6.535 5.132 10.642 164 HA HIS 22 HA HIS 22 -4.829 2.772 10.142 165 HB2 HIS 22 HB2 HIS 22 -7.570 3.542 9.084 166 HB3 HIS 22 HB3 HIS 22 -6.685 2.084 8.658 167 HD1 HIS 22 HD1 HIS 22 -6.452 0.206 10.533 168 HD2 HIS 22 HD2 HIS 22 -8.677 3.580 11.609 169 HE1 HIS 22 HE1 HIS 22 -7.636 -0.406 12.689 170 H ILE 23 H ILE 23 -4.139 2.189 8.073 171 HA ILE 23 HA ILE 23 -3.477 4.475 6.268 172 HB ILE 23 HB ILE 23 -1.314 3.293 5.846 173 HG12 ILE 23 HG12 ILE 23 -0.410 1.788 7.535 174 HG13 ILE 23 HG13 ILE 23 -1.947 1.713 8.381 175 HG21 ILE 23 HG21 ILE 23 -1.815 4.216 8.700 176 HG22 ILE 23 HG22 ILE 23 -0.262 4.193 7.845 177 HG23 ILE 23 HG23 ILE 23 -1.551 5.270 7.295 178 HD11 ILE 23 HD11 ILE 23 -1.444 -0.301 7.003 179 HD12 ILE 23 HD12 ILE 23 -2.956 0.477 6.515 180 HD13 ILE 23 HD13 ILE 23 -1.473 0.703 5.543 181 H ILE 24 H ILE 24 -5.577 2.161 6.137 182 HA ILE 24 HA ILE 24 -4.974 1.077 3.453 183 HB ILE 24 HB ILE 24 -7.318 0.108 3.681 184 HG12 ILE 24 HG12 ILE 24 -6.957 0.687 6.645 185 HG13 ILE 24 HG13 ILE 24 -8.006 1.644 5.593 186 HG21 ILE 24 HG21 ILE 24 -5.364 -1.237 3.822 187 HG22 ILE 24 HG22 ILE 24 -5.016 -0.709 5.485 188 HG23 ILE 24 HG23 ILE 24 -6.420 -1.746 5.139 189 HD11 ILE 24 HD11 ILE 24 -9.313 -0.408 5.045 190 HD12 ILE 24 HD12 ILE 24 -8.323 -1.326 6.207 191 HD13 ILE 24 HD13 ILE 24 -9.339 0.007 6.768 192 H CYS 25 H CYS 25 -6.201 1.427 1.615 193 HA CYS 25 HA CYS 25 -8.082 3.715 1.569 194 HB2 CYS 25 HB2 CYS 25 -7.033 4.573 -0.479 195 HB3 CYS 25 HB3 CYS 25 -5.907 4.609 0.880 196 HG CYS 25 HG CYS 25 -4.643 3.960 -1.324 197 H SER 26 H SER 26 -9.576 3.672 -0.151 198 HA SER 26 HA SER 26 -11.224 2.663 -1.316 199 HB2 SER 26 HB2 SER 26 -9.124 3.012 -2.796 200 HB3 SER 26 HB3 SER 26 -9.035 1.244 -2.834 201 HG SER 26 HG SER 26 -11.129 1.307 -3.697 202 H TYR 27 H TYR 27 -10.398 1.066 1.074 203 HA TYR 27 HA TYR 27 -10.468 -0.934 2.069 204 HB2 TYR 27 HB2 TYR 27 -12.883 -0.316 1.655 205 HB3 TYR 27 HB3 TYR 27 -12.887 -1.494 0.353 206 HD1 TYR 27 HD1 TYR 27 -12.171 -1.128 4.034 207 HD2 TYR 27 HD2 TYR 27 -13.412 -3.750 0.844 208 HE1 TYR 27 HE1 TYR 27 -12.706 -2.897 5.697 209 HE2 TYR 27 HE2 TYR 27 -13.955 -5.518 2.514 210 HH TYR 27 HH TYR 27 -13.503 -5.081 5.968 211 H CYS 28 H CYS 28 -8.615 -0.943 -0.089 212 HA CYS 28 HA CYS 28 -8.937 -3.535 -1.437 213 HB2 CYS 28 HB2 CYS 28 -7.303 -2.821 -2.966 214 HB3 CYS 28 HB3 CYS 28 -8.367 -1.443 -2.677 215 HG CYS 28 HG CYS 28 -6.808 -0.196 -1.033 216 H GLY 29 H GLY 29 -7.713 -2.935 1.531 217 HA2 GLY 29 HA2 GLY 29 -5.973 -5.295 1.458 218 HA3 GLY 29 HA3 GLY 29 -5.159 -3.765 1.833 219 H ALA 30 H ALA 30 -5.016 -5.810 3.590 220 HA ALA 30 HA ALA 30 -6.897 -5.307 5.805 221 HB1 ALA 30 HB1 ALA 30 -5.561 -7.019 6.964 222 HB2 ALA 30 HB2 ALA 30 -6.121 -7.605 5.386 223 HB3 ALA 30 HB3 ALA 30 -4.435 -7.078 5.595 224 H THR 31 H THR 31 -6.480 -3.988 7.501 225 HA THR 31 HA THR 31 -4.499 -1.964 7.289 226 HB THR 31 HB THR 31 -6.768 -1.841 8.344 227 HG1 THR 31 HG1 THR 31 -4.553 -0.891 9.720 228 HG21 THR 31 HG21 THR 31 -7.023 -2.356 10.714 229 HG22 THR 31 HG22 THR 31 -6.637 -3.832 9.818 230 HG23 THR 31 HG23 THR 31 -5.385 -3.037 10.791 231 H ASP 32 H ASP 32 -4.108 -5.128 8.590 232 HA ASP 32 HA ASP 32 -1.828 -4.451 10.313 233 HB2 ASP 32 HB2 ASP 32 -3.499 -6.236 10.819 234 HB3 ASP 32 HB3 ASP 32 -2.908 -7.145 9.437 235 H ASP 33 H ASP 33 -2.186 -5.169 6.922 236 HA ASP 33 HA ASP 33 0.759 -5.475 6.643 237 HB2 ASP 33 HB2 ASP 33 0.548 -7.411 5.200 238 HB3 ASP 33 HB3 ASP 33 -0.059 -7.721 6.812 239 H HIS 34 H HIS 34 -1.972 -3.895 5.420 240 HA HIS 34 HA HIS 34 -1.246 -3.541 2.703 241 HB2 HIS 34 HB2 HIS 34 -3.437 -2.977 3.554 242 HB3 HIS 34 HB3 HIS 34 -2.758 -1.784 4.661 243 HD1 HIS 34 HD1 HIS 34 -2.184 0.617 3.617 244 HD2 HIS 34 HD2 HIS 34 -3.645 -2.269 0.934 245 HE1 HIS 34 HE1 HIS 34 -2.706 1.842 1.471 246 H TYR 35 H TYR 35 -0.021 -2.081 1.621 247 HA TYR 35 HA TYR 35 1.581 -0.051 3.086 248 HB2 TYR 35 HB2 TYR 35 2.978 -2.047 2.850 249 HB3 TYR 35 HB3 TYR 35 2.605 -2.134 1.137 250 HD1 TYR 35 HD1 TYR 35 3.665 0.859 3.217 251 HD2 TYR 35 HD2 TYR 35 4.660 -1.938 0.082 252 HE1 TYR 35 HE1 TYR 35 5.739 2.127 2.740 253 HE2 TYR 35 HE2 TYR 35 6.759 -0.678 -0.363 254 HH TYR 35 HH TYR 35 7.671 2.205 1.420 255 H SER 36 H SER 36 0.984 1.832 2.220 256 HA SER 36 HA SER 36 -0.756 2.068 0.014 257 HB2 SER 36 HB2 SER 36 -0.418 4.523 0.435 258 HB3 SER 36 HB3 SER 36 -0.727 3.593 1.915 259 HG SER 36 HG SER 36 1.113 4.945 2.112 260 H ARG 37 H ARG 37 2.738 2.236 0.031 261 HA ARG 37 HA ARG 37 3.136 3.603 -2.479 262 HB2 ARG 37 HB2 ARG 37 4.851 3.404 -0.733 263 HB3 ARG 37 HB3 ARG 37 4.832 1.652 -0.880 264 HG2 ARG 37 HG2 ARG 37 6.822 2.635 -1.891 265 HG3 ARG 37 HG3 ARG 37 5.867 1.763 -3.084 266 HD2 ARG 37 HD2 ARG 37 4.956 3.913 -3.924 267 HD3 ARG 37 HD3 ARG 37 5.890 4.788 -2.699 268 HE ARG 37 HE ARG 37 7.782 3.273 -4.065 269 HH11 ARG 37 HH11 ARG 37 5.508 5.765 -5.053 270 HH12 ARG 37 HH12 ARG 37 6.502 6.260 -6.406 271 HH21 ARG 37 HH21 ARG 37 8.988 3.945 -5.804 272 HH22 ARG 37 HH22 ARG 37 8.423 5.251 -6.815 273 H HIS 38 H HIS 38 2.204 0.318 -1.754 274 HA HIS 38 HA HIS 38 2.725 -0.509 -4.594 275 HB2 HIS 38 HB2 HIS 38 4.443 -1.222 -2.903 276 HB3 HIS 38 HB3 HIS 38 3.189 -2.136 -2.073 277 HD1 HIS 38 HD1 HIS 38 2.125 -4.227 -3.606 278 HD2 HIS 38 HD2 HIS 38 5.633 -2.373 -4.956 279 HE1 HIS 38 HE1 HIS 38 3.156 -5.821 -5.285 280 H CYS 39 H CYS 39 0.604 -0.956 -1.789 281 HA CYS 39 HA CYS 39 -1.281 -2.013 -1.379 282 HB2 CYS 39 HB2 CYS 39 -1.834 -2.021 -4.363 283 HB3 CYS 39 HB3 CYS 39 -3.024 -2.268 -3.083 284 HG CYS 39 HG CYS 39 -1.121 0.395 -3.507 285 HA PRO 40 HA PRO 40 -0.346 -6.166 -1.423 286 HB2 PRO 40 HB2 PRO 40 -2.037 -6.798 0.498 287 HB3 PRO 40 HB3 PRO 40 -1.294 -5.174 0.548 288 HG2 PRO 40 HG2 PRO 40 -4.028 -5.893 -0.558 289 HG3 PRO 40 HG3 PRO 40 -3.614 -4.623 0.644 290 HD2 PRO 40 HD2 PRO 40 -3.766 -4.302 -2.170 291 HD3 PRO 40 HD3 PRO 40 -2.978 -3.182 -1.030 292 H LYS 41 H LYS 41 -1.475 -8.396 -0.859 293 HA LYS 41 HA LYS 41 -3.566 -9.229 -2.824 294 HB2 LYS 41 HB2 LYS 41 -1.145 -10.880 -1.970 295 HB3 LYS 41 HB3 LYS 41 -2.535 -11.473 -2.855 296 HG2 LYS 41 HG2 LYS 41 -1.105 -11.166 -4.586 297 HG3 LYS 41 HG3 LYS 41 -1.994 -9.658 -4.626 298 HD2 LYS 41 HD2 LYS 41 0.373 -9.254 -5.010 299 HD3 LYS 41 HD3 LYS 41 -0.098 -8.504 -3.501 300 HE2 LYS 41 HE2 LYS 41 2.041 -9.519 -3.190 301 HE3 LYS 41 HE3 LYS 41 0.881 -10.431 -2.244 302 HZ1 LYS 41 HZ1 LYS 41 0.881 -12.123 -4.007 303 HZ2 LYS 41 HZ2 LYS 41 1.935 -11.246 -4.900 304 HZ3 LYS 41 HZ3 LYS 41 2.397 -11.873 -3.476 305 H ALA 42 H ALA 42 -4.816 -8.420 -0.972 306 HA ALA 42 HA ALA 42 -4.841 -10.232 1.429 307 HB1 ALA 42 HB1 ALA 42 -3.657 -8.152 1.859 308 HB2 ALA 42 HB2 ALA 42 -5.029 -7.201 1.250 309 HB3 ALA 42 HB3 ALA 42 -5.192 -8.159 2.741 310 H ILE 43 H ILE 43 -6.849 -8.168 -0.648 311 HA ILE 43 HA ILE 43 -9.294 -9.561 0.292 312 HB ILE 43 HB ILE 43 -9.239 -6.576 -0.275 313 HG12 ILE 43 HG12 ILE 43 -9.125 -8.095 2.368 314 HG13 ILE 43 HG13 ILE 43 -7.906 -6.992 1.737 315 HG21 ILE 43 HG21 ILE 43 -11.488 -6.604 0.731 316 HG22 ILE 43 HG22 ILE 43 -11.468 -7.734 -0.606 317 HG23 ILE 43 HG23 ILE 43 -11.353 -8.346 1.056 318 HD11 ILE 43 HD11 ILE 43 -10.632 -6.203 2.793 319 HD12 ILE 43 HD12 ILE 43 -9.049 -5.941 3.523 320 HD13 ILE 43 HD13 ILE 43 -9.460 -5.093 2.018 321 H GLN 44 H GLN 44 -7.569 -10.258 -1.663 322 HA GLN 44 HA GLN 44 -9.190 -10.356 -4.108 323 HB2 GLN 44 HB2 GLN 44 -6.192 -9.786 -4.223 324 HB3 GLN 44 HB3 GLN 44 -7.327 -9.924 -5.551 325 HG2 GLN 44 HG2 GLN 44 -6.901 -7.652 -5.438 326 HG3 GLN 44 HG3 GLN 44 -8.471 -7.814 -4.667 327 HE21 GLN 44 HE22 GLN 44 -7.748 -5.561 -3.950 328 HE22 GLN 44 HE21 GLN 44 -6.797 -5.501 -2.464 329 H CYS 45 H CYS 45 -8.622 -12.289 -5.335 330 HA CYS 45 HA CYS 45 -7.441 -14.510 -3.851 331 HB2 CYS 45 HB2 CYS 45 -7.879 -15.769 -5.909 332 HB3 CYS 45 HB3 CYS 45 -9.312 -14.844 -5.430 333 HG CYS 45 HG CYS 45 -9.135 -12.979 -7.104 334 H SER 46 H SER 46 -5.695 -15.841 -4.900 335 HA SER 46 HA SER 46 -3.353 -14.317 -5.715 336 HB2 SER 46 HB2 SER 46 -3.945 -17.286 -5.824 337 HB3 SER 46 HB3 SER 46 -2.362 -16.526 -6.105 338 HG SER 46 HG SER 46 -2.726 -17.131 -3.900 339 H LYS 47 H LYS 47 -2.648 -13.901 -7.636 340 HA LYS 47 HA LYS 47 -2.693 -13.059 -9.639 341 HB2 LYS 47 HB2 LYS 47 -2.863 -14.385 -11.582 342 HB3 LYS 47 HB3 LYS 47 -1.983 -15.227 -10.315 343 HG2 LYS 47 HG2 LYS 47 -3.900 -16.718 -9.916 344 HG3 LYS 47 HG3 LYS 47 -4.884 -15.786 -11.066 345 HD2 LYS 47 HD2 LYS 47 -4.141 -17.809 -12.117 346 HD3 LYS 47 HD3 LYS 47 -3.289 -16.459 -12.880 347 HE2 LYS 47 HE2 LYS 47 -1.287 -16.934 -11.515 348 HE3 LYS 47 HE3 LYS 47 -2.150 -18.200 -10.649 349 HZ1 LYS 47 HZ1 LYS 47 -1.544 -18.259 -13.553 350 HZ2 LYS 47 HZ2 LYS 47 -0.754 -19.111 -12.410 351 HZ3 LYS 47 HZ3 LYS 47 -2.317 -19.438 -12.725 352 H CYS 48 H CYS 48 -3.677 -11.772 -10.988 353 HA CYS 48 HA CYS 48 -5.067 -10.088 -11.311 354 HB2 CYS 48 HB2 CYS 48 -7.014 -10.364 -12.371 355 HB3 CYS 48 HB3 CYS 48 -6.337 -11.973 -12.573 356 HG CYS 48 HG CYS 48 -8.922 -12.090 -12.167 357 H ASP 49 H ASP 49 -7.374 -9.081 -10.480 358 HA ASP 49 HA ASP 49 -6.615 -8.485 -7.680 359 HB2 ASP 49 HB2 ASP 49 -6.762 -6.187 -8.248 360 HB3 ASP 49 HB3 ASP 49 -5.752 -6.985 -9.437 361 H GLU 50 H GLU 50 -8.857 -10.231 -8.232 362 HA GLU 50 HA GLU 50 -11.081 -8.654 -7.023 363 HB2 GLU 50 HB2 GLU 50 -11.363 -8.879 -9.471 364 HB3 GLU 50 HB3 GLU 50 -11.356 -10.640 -9.313 365 HG2 GLU 50 HG2 GLU 50 -13.450 -10.595 -8.116 366 HG3 GLU 50 HG3 GLU 50 -13.346 -8.852 -7.881 367 H VAL 51 H VAL 51 -12.750 -10.018 -5.996 368 HA VAL 51 HA VAL 51 -11.528 -11.691 -4.034 369 HB VAL 51 HB VAL 51 -14.507 -11.370 -4.561 370 HG11 VAL 51 HG11 VAL 51 -13.939 -13.088 -2.879 371 HG12 VAL 51 HG12 VAL 51 -12.911 -11.917 -2.020 372 HG13 VAL 51 HG13 VAL 51 -14.667 -11.679 -2.107 373 HG21 VAL 51 HG21 VAL 51 -14.432 -9.481 -2.942 374 HG22 VAL 51 HG22 VAL 51 -12.655 -9.531 -2.989 375 HG23 VAL 51 HG23 VAL 51 -13.592 -9.106 -4.440 376 H GLY 52 H GLY 52 -11.262 -13.844 -3.899 377 HA2 GLY 52 HA2 GLY 52 -11.427 -16.115 -4.255 378 HA3 GLY 52 HA3 GLY 52 -13.106 -15.821 -4.686 379 H HIS 53 H HIS 53 -12.449 -17.833 -6.006 380 HA HIS 53 HA HIS 53 -12.094 -16.777 -8.760 381 HB2 HIS 53 HB2 HIS 53 -10.241 -18.564 -7.532 382 HB3 HIS 53 HB3 HIS 53 -11.120 -19.483 -8.744 383 HD1 HIS 53 HD1 HIS 53 -11.071 -18.341 -11.308 384 HD2 HIS 53 HD2 HIS 53 -8.571 -16.678 -8.375 385 HE1 HIS 53 HE1 HIS 53 -9.474 -16.777 -12.526 386 H TYR 54 H TYR 54 -14.285 -18.044 -6.757 387 HA TYR 54 HA TYR 54 -15.620 -19.909 -8.537 388 HB2 TYR 54 HB2 TYR 54 -15.836 -19.944 -6.068 389 HB3 TYR 54 HB3 TYR 54 -16.638 -18.380 -6.122 390 HD1 TYR 54 HD2 TYR 54 -16.922 -21.825 -7.648 391 HD2 TYR 54 HD1 TYR 54 -18.977 -18.353 -6.126 392 HE1 TYR 54 HE2 TYR 54 -19.104 -22.944 -8.044 393 HE2 TYR 54 HE1 TYR 54 -21.160 -19.482 -6.510 394 HH TYR 54 HH TYR 54 -21.428 -22.708 -7.868 395 H ARG 55 H ARG 55 -17.788 -19.505 -9.425 396 HA ARG 55 HA ARG 55 -17.804 -17.174 -11.157 397 HB2 ARG 55 HB2 ARG 55 -20.021 -19.189 -10.637 398 HB3 ARG 55 HB3 ARG 55 -19.928 -18.066 -11.984 399 HG2 ARG 55 HG2 ARG 55 -18.113 -20.469 -11.490 400 HG3 ARG 55 HG3 ARG 55 -19.373 -20.298 -12.700 401 HD2 ARG 55 HD2 ARG 55 -17.414 -20.003 -13.914 402 HD3 ARG 55 HD3 ARG 55 -18.042 -18.372 -13.694 403 HE ARG 55 HE ARG 55 -15.895 -19.519 -11.915 404 HH11 ARG 55 HH11 ARG 55 -16.735 -17.011 -14.255 405 HH12 ARG 55 HH12 ARG 55 -15.412 -15.995 -13.687 406 HH21 ARG 55 HH21 ARG 55 -14.253 -18.104 -11.321 407 HH22 ARG 55 HH22 ARG 55 -14.161 -16.550 -12.119 408 H SER 56 H SER 56 -19.363 -15.543 -11.274 409 HA SER 56 HA SER 56 -20.314 -13.678 -10.442 410 HB2 SER 56 HB2 SER 56 -21.412 -15.270 -8.102 411 HB3 SER 56 HB3 SER 56 -22.044 -13.778 -8.821 412 HG SER 56 HG SER 56 -22.562 -14.968 -10.635 413 H GLN 57 H GLN 57 -18.143 -15.303 -8.238 414 HA GLN 57 HA GLN 57 -17.666 -12.837 -6.668 415 HB2 GLN 57 HB2 GLN 57 -16.238 -15.527 -6.684 416 HB3 GLN 57 HB3 GLN 57 -15.870 -14.163 -5.620 417 HG2 GLN 57 HG2 GLN 57 -18.161 -14.269 -4.678 418 HG3 GLN 57 HG3 GLN 57 -18.513 -15.676 -5.685 419 HE21 GLN 57 HE22 GLN 57 -18.885 -16.087 -3.042 420 HE22 GLN 57 HE21 GLN 57 -17.553 -17.024 -2.374 421 H CYS 58 H CYS 58 -15.932 -14.855 -9.040 422 HA CYS 58 HA CYS 58 -14.304 -12.505 -9.911 423 HB2 CYS 58 HB2 CYS 58 -13.104 -14.249 -8.598 424 HB3 CYS 58 HB3 CYS 58 -13.519 -15.438 -9.844 425 HG CYS 58 HG CYS 58 -12.365 -14.192 -11.804 426 HA PRO 59 HA PRO 59 -17.162 -14.334 -13.198 427 HB2 PRO 59 HB2 PRO 59 -18.459 -12.074 -14.043 428 HB3 PRO 59 HB3 PRO 59 -18.913 -12.978 -12.570 429 HG2 PRO 59 HG2 PRO 59 -17.107 -10.540 -12.756 430 HG3 PRO 59 HG3 PRO 59 -18.541 -10.771 -11.697 431 HD2 PRO 59 HD2 PRO 59 -16.071 -11.251 -10.749 432 HD3 PRO 59 HD3 PRO 59 -17.414 -12.368 -10.367 433 H HIS 60 H HIS 60 -14.640 -11.985 -13.388 434 HA HIS 60 HA HIS 60 -14.660 -11.539 -16.238 435 HB2 HIS 60 HB2 HIS 60 -12.538 -11.094 -14.121 436 HB3 HIS 60 HB3 HIS 60 -12.400 -10.559 -15.794 437 HD1 HIS 60 HD1 HIS 60 -14.110 -9.592 -12.549 438 HD2 HIS 60 HD2 HIS 60 -14.139 -8.563 -16.611 439 HE1 HIS 60 HE1 HIS 60 -15.438 -7.466 -12.706 440 H LYS 61 H LYS 61 -13.212 -12.261 -17.802 441 HA LYS 61 HA LYS 61 -12.547 -15.163 -17.446 442 HB2 LYS 61 HB2 LYS 61 -13.848 -13.713 -19.781 443 HB3 LYS 61 HB3 LYS 61 -13.517 -15.444 -19.692 444 HG2 LYS 61 HG2 LYS 61 -15.032 -15.676 -17.766 445 HG3 LYS 61 HG3 LYS 61 -15.351 -13.928 -17.788 446 HD2 LYS 61 HD2 LYS 61 -16.325 -14.126 -20.061 447 HD3 LYS 61 HD3 LYS 61 -16.013 -15.863 -20.037 448 HE2 LYS 61 HE2 LYS 61 -18.332 -15.482 -19.495 449 HE3 LYS 61 HE3 LYS 61 -17.503 -16.126 -18.085 450 HZ1 LYS 61 HZ1 LYS 61 -17.436 -13.889 -17.165 451 HZ2 LYS 61 HZ2 LYS 61 -18.129 -13.250 -18.500 452 HZ3 LYS 61 HZ3 LYS 61 -18.973 -14.259 -17.531 453 H TRP 62 H TRP 62 -11.177 -12.225 -18.700 454 HA TRP 62 HA TRP 62 -9.201 -13.748 -20.332 455 HB2 TRP 62 HB2 TRP 62 -10.464 -11.846 -21.341 456 HB3 TRP 62 HB3 TRP 62 -9.655 -10.761 -20.214 457 HD1 TRP 62 HD1 TRP 62 -8.546 -13.459 -22.775 458 HE1 TRP 62 HE1 TRP 62 -6.511 -12.629 -24.069 459 HE3 TRP 62 HE3 TRP 62 -7.982 -8.880 -20.557 460 HZ2 TRP 62 HZ2 TRP 62 -4.817 -10.309 -24.131 461 HZ3 TRP 62 HZ3 TRP 62 -6.153 -7.369 -21.282 462 HH2 TRP 62 HH2 TRP 62 -4.563 -8.072 -23.051 463 H LYS 63 H LYS 63 -6.966 -12.675 -20.340 464 HA LYS 63 HA LYS 63 -5.704 -13.088 -17.778 465 HB2 LYS 63 HB2 LYS 63 -4.626 -12.000 -20.412 466 HB3 LYS 63 HB3 LYS 63 -3.636 -12.386 -19.003 467 HG2 LYS 63 HG2 LYS 63 -4.431 -14.741 -19.082 468 HG3 LYS 63 HG3 LYS 63 -5.349 -14.372 -20.554 469 HD2 LYS 63 HD2 LYS 63 -3.245 -13.688 -21.685 470 HD3 LYS 63 HD3 LYS 63 -2.321 -14.133 -20.248 471 HE2 LYS 63 HE2 LYS 63 -4.069 -16.023 -21.883 472 HE3 LYS 63 HE3 LYS 63 -2.331 -15.857 -22.071 473 HZ1 LYS 63 HZ1 LYS 63 -2.859 -17.728 -20.654 474 HZ2 LYS 63 HZ2 LYS 63 -2.057 -16.616 -19.778 475 HZ3 LYS 63 HZ3 LYS 63 -3.674 -16.797 -19.599 476 H LYS 64 H LYS 64 -4.293 -11.632 -16.723 477 HA LYS 64 HA LYS 64 -5.780 -9.228 -16.040 478 HB2 LYS 64 HB2 LYS 64 -4.499 -9.289 -13.953 479 HB3 LYS 64 HB3 LYS 64 -5.348 -10.765 -14.347 480 HG2 LYS 64 HG2 LYS 64 -3.306 -11.398 -13.384 481 HG3 LYS 64 HG3 LYS 64 -3.201 -11.821 -15.085 482 HD2 LYS 64 HD2 LYS 64 -1.733 -9.903 -15.516 483 HD3 LYS 64 HD3 LYS 64 -1.985 -9.309 -13.857 484 HE2 LYS 64 HE2 LYS 64 -0.983 -11.436 -12.998 485 HE3 LYS 64 HE3 LYS 64 -0.658 -11.931 -14.654 486 HZ1 LYS 64 HZ1 LYS 64 0.780 -9.971 -14.882 487 HZ2 LYS 64 HZ2 LYS 64 0.472 -9.522 -13.339 488 HZ3 LYS 64 HZ3 LYS 64 1.283 -10.900 -13.641 489 H VAL 65 H VAL 65 -4.385 -8.841 -18.486 490 HA VAL 65 HA VAL 65 -1.958 -7.350 -18.082 491 HB VAL 65 HB VAL 65 -3.831 -7.190 -20.475 492 HG11 VAL 65 HG11 VAL 65 -2.199 -5.355 -20.462 493 HG12 VAL 65 HG12 VAL 65 -0.880 -6.496 -20.102 494 HG13 VAL 65 HG13 VAL 65 -1.716 -6.560 -21.661 495 HG21 VAL 65 HG21 VAL 65 -1.450 -9.024 -19.927 496 HG22 VAL 65 HG22 VAL 65 -3.146 -9.529 -20.127 497 HG23 VAL 65 HG23 VAL 65 -2.268 -8.845 -21.493 498 H GLN 66 H GLN 66 -1.770 -5.511 -17.037 499 HA GLN 66 HA GLN 66 -3.941 -4.009 -16.109 500 HB2 GLN 66 HB2 GLN 66 -1.669 -4.354 -15.088 501 HB3 GLN 66 HB3 GLN 66 -1.021 -3.159 -16.215 502 HG2 GLN 66 HG2 GLN 66 -2.519 -1.435 -15.214 503 HG3 GLN 66 HG3 GLN 66 -3.221 -2.663 -14.158 504 HE21 GLN 66 HE22 GLN 66 -2.488 -0.930 -12.509 505 HE22 GLN 66 HE21 GLN 66 -0.842 -1.103 -11.909 506 H CYS 67 H CYS 67 -2.040 -3.477 -19.000 507 HA CYS 67 HA CYS 67 -2.901 -0.782 -19.570 508 HB2 CYS 67 HB2 CYS 67 -1.834 -2.989 -21.370 509 HB3 CYS 67 HB3 CYS 67 -1.856 -1.256 -21.748 510 HG CYS 67 HG CYS 67 -0.292 -0.487 -19.885 511 H THR 68 H THR 68 -4.761 -3.517 -19.589 512 HA THR 68 HA THR 68 -6.552 -4.358 -20.479 513 HB THR 68 HB THR 68 -7.551 -2.347 -19.681 514 HG1 THR 68 HG1 THR 68 -9.383 -2.735 -20.848 515 HG21 THR 68 HG21 THR 68 -6.773 -0.484 -20.978 516 HG22 THR 68 HG22 THR 68 -7.294 -1.238 -22.509 517 HG23 THR 68 HG23 THR 68 -8.482 -0.676 -21.315 518 H LEU 69 H LEU 69 -5.107 -2.334 -23.007 519 HA LEU 69 HA LEU 69 -6.142 -4.178 -25.090 520 HB2 LEU 69 HB2 LEU 69 -5.813 -2.369 -26.627 521 HB3 LEU 69 HB3 LEU 69 -6.713 -1.836 -25.228 522 HG LEU 69 HG LEU 69 -4.382 -0.932 -24.352 523 HD11 LEU 69 HD11 LEU 69 -3.878 -1.114 -27.357 524 HD12 LEU 69 HD12 LEU 69 -2.953 -0.105 -26.233 525 HD13 LEU 69 HD13 LEU 69 -2.887 -1.862 -26.083 526 HD21 LEU 69 HD21 LEU 69 -6.325 0.453 -24.986 527 HD22 LEU 69 HD22 LEU 69 -4.802 1.194 -25.491 528 HD23 LEU 69 HD23 LEU 69 -5.830 0.375 -26.691 529 H CYS 70 H CYS 70 -3.268 -3.844 -23.376 530 HA CYS 70 HA CYS 70 -1.412 -4.026 -25.579 531 HB2 CYS 70 HB2 CYS 70 -0.921 -2.945 -23.420 532 HB3 CYS 70 HB3 CYS 70 -0.921 -4.540 -22.632 533 HG CYS 70 HG CYS 70 1.067 -5.526 -23.830 534 H LYS 71 H LYS 71 -0.333 -5.672 -26.442 535 HA LYS 71 HA LYS 71 -0.425 -8.428 -25.477 536 HB2 LYS 71 HB2 LYS 71 -2.584 -8.227 -26.667 537 HB3 LYS 71 HB3 LYS 71 -1.776 -7.574 -28.078 538 HG2 LYS 71 HG2 LYS 71 -2.403 -9.855 -28.471 539 HG3 LYS 71 HG3 LYS 71 -0.651 -9.738 -28.465 540 HD2 LYS 71 HD2 LYS 71 -0.625 -10.671 -26.128 541 HD3 LYS 71 HD3 LYS 71 -2.399 -10.754 -26.171 542 HE2 LYS 71 HE2 LYS 71 -2.266 -12.250 -28.149 543 HE3 LYS 71 HE3 LYS 71 -0.511 -12.166 -28.101 544 HZ1 LYS 71 HZ1 LYS 71 -1.320 -14.166 -27.017 545 HZ2 LYS 71 HZ2 LYS 71 -0.589 -13.230 -25.904 546 HZ3 LYS 71 HZ3 LYS 71 -2.223 -13.315 -25.964 547 H SER 72 H SER 72 1.297 -9.610 -26.295 548 HA SER 72 HA SER 72 3.370 -9.971 -27.135 549 HB2 SER 72 HB2 SER 72 2.368 -8.491 -29.595 550 HB3 SER 72 HB3 SER 72 3.645 -9.727 -29.514 551 HG SER 72 HG SER 72 2.107 -11.210 -29.004 552 H LYS 73 H LYS 73 3.284 -7.713 -25.495 553 HA LYS 73 HA LYS 73 4.496 -5.945 -24.770 554 HB2 LYS 73 HB2 LYS 73 5.971 -7.990 -24.808 555 HB3 LYS 73 HB3 LYS 73 6.793 -7.304 -26.205 556 HG2 LYS 73 HG2 LYS 73 7.594 -5.433 -24.907 557 HG3 LYS 73 HG3 LYS 73 6.524 -5.828 -23.549 558 HD2 LYS 73 HD2 LYS 73 8.771 -7.649 -24.491 559 HD3 LYS 73 HD3 LYS 73 8.969 -6.391 -23.265 560 HE2 LYS 73 HE2 LYS 73 7.082 -7.462 -21.959 561 HE3 LYS 73 HE3 LYS 73 7.110 -8.796 -23.106 562 HZ1 LYS 73 HZ1 LYS 73 8.458 -9.300 -21.172 563 HZ2 LYS 73 HZ2 LYS 73 9.448 -9.174 -22.462 564 HZ3 LYS 73 HZ3 LYS 73 9.364 -7.960 -21.365 565 H LYS 74 H LYS 74 3.086 -5.237 -27.083 566 HA LYS 74 HA LYS 74 4.695 -3.339 -28.625 567 HB2 LYS 74 HB2 LYS 74 1.689 -3.662 -28.296 568 HB3 LYS 74 HB3 LYS 74 2.450 -2.433 -29.313 569 HG2 LYS 74 HG2 LYS 74 3.698 -4.280 -30.510 570 HG3 LYS 74 HG3 LYS 74 2.711 -5.454 -29.645 571 HD2 LYS 74 HD2 LYS 74 1.711 -3.268 -31.521 572 HD3 LYS 74 HD3 LYS 74 1.898 -4.957 -31.954 573 HE2 LYS 74 HE2 LYS 74 -0.012 -3.903 -29.824 574 HE3 LYS 74 HE3 LYS 74 -0.451 -4.258 -31.488 575 HZ1 LYS 74 HZ1 LYS 74 0.535 -6.245 -29.537 576 HZ2 LYS 74 HZ2 LYS 74 -0.993 -6.121 -30.089 577 HZ3 LYS 74 HZ3 LYS 74 0.201 -6.578 -31.103 578 H HIS 75 H HIS 75 4.570 -1.084 -28.527 579 HA HIS 75 HA HIS 75 5.242 0.777 -27.500 580 HB2 HIS 75 HB2 HIS 75 3.573 2.021 -26.341 581 HB3 HIS 75 HB3 HIS 75 2.850 1.117 -27.652 582 HD1 HIS 75 HD1 HIS 75 0.645 -0.064 -26.964 583 HD2 HIS 75 HD2 HIS 75 3.248 0.688 -23.753 584 HE1 HIS 75 HE1 HIS 75 -0.581 -0.785 -24.858 585 H SER 76 H SER 76 5.929 -1.822 -25.812 586 HA SER 76 HA SER 76 5.527 -1.001 -23.125 587 HB2 SER 76 HB2 SER 76 7.038 -3.330 -24.354 588 HB3 SER 76 HB3 SER 76 6.860 -3.127 -22.602 589 HG SER 76 HG SER 76 4.600 -3.122 -24.224 590 H LYS 77 H LYS 77 8.379 -0.524 -25.083 591 HA LYS 77 HA LYS 77 10.406 -0.835 -23.168 592 HB2 LYS 77 HB2 LYS 77 10.793 -0.625 -25.587 593 HB3 LYS 77 HB3 LYS 77 10.362 1.088 -25.523 594 HG2 LYS 77 HG2 LYS 77 12.273 1.528 -24.014 595 HG3 LYS 77 HG3 LYS 77 12.667 -0.203 -23.992 596 HD2 LYS 77 HD2 LYS 77 13.160 -0.133 -26.417 597 HD3 LYS 77 HD3 LYS 77 12.641 1.553 -26.483 598 HE2 LYS 77 HE2 LYS 77 15.017 1.570 -26.447 599 HE3 LYS 77 HE3 LYS 77 14.460 2.170 -24.894 600 HZ1 LYS 77 HZ1 LYS 77 16.287 0.577 -24.679 601 HZ2 LYS 77 HZ2 LYS 77 14.962 -0.005 -23.935 602 HZ3 LYS 77 HZ3 LYS 77 15.416 -0.597 -25.394 603 H GLU 78 H GLU 78 10.785 0.088 -21.348 604 HA GLU 78 HA GLU 78 10.699 1.424 -19.542 605 HB2 GLU 78 HB2 GLU 78 11.285 3.590 -21.576 606 HB3 GLU 78 HB3 GLU 78 11.429 3.773 -19.822 607 HG2 GLU 78 HG2 GLU 78 13.059 1.925 -19.734 608 HG3 GLU 78 HG3 GLU 78 12.953 1.720 -21.474 609 H ARG 79 H ARG 79 8.088 0.998 -20.979 610 HA ARG 79 HA ARG 79 6.488 2.954 -19.358 611 HB2 ARG 79 HB2 ARG 79 5.609 1.436 -21.850 612 HB3 ARG 79 HB3 ARG 79 4.613 2.498 -20.857 613 HG2 ARG 79 HG2 ARG 79 6.271 4.374 -21.393 614 HG3 ARG 79 HG3 ARG 79 6.979 3.280 -22.598 615 HD2 ARG 79 HD2 ARG 79 4.662 3.079 -23.640 616 HD3 ARG 79 HD3 ARG 79 4.106 4.276 -22.485 617 HE ARG 79 HE ARG 79 5.191 5.978 -23.632 618 HH11 ARG 79 HH11 ARG 79 6.173 2.949 -25.119 619 HH12 ARG 79 HH12 ARG 79 6.968 3.756 -26.454 620 HH21 ARG 79 HH21 ARG 79 6.171 6.929 -25.382 621 HH22 ARG 79 HH22 ARG 79 6.937 5.941 -26.602 622 H CYS 80 H CYS 80 6.669 -0.447 -20.399 623 HA CYS 80 HA CYS 80 4.767 -1.259 -18.320 624 HB2 CYS 80 HB2 CYS 80 6.078 -2.815 -20.567 625 HB3 CYS 80 HB3 CYS 80 4.796 -3.402 -19.498 626 HG CYS 80 HG CYS 80 3.116 -1.407 -20.033 627 HA PRO 81 HA PRO 81 8.820 -3.748 -17.004 628 HB2 PRO 81 HB2 PRO 81 10.205 -1.137 -16.330 629 HB3 PRO 81 HB3 PRO 81 10.943 -2.746 -16.607 630 HG2 PRO 81 HG2 PRO 81 10.907 -0.950 -18.610 631 HG3 PRO 81 HG3 PRO 81 10.412 -2.641 -18.956 632 HD2 PRO 81 HD2 PRO 81 8.672 -0.220 -18.483 633 HD3 PRO 81 HD3 PRO 81 8.497 -1.535 -19.690 634 H SER 82 H SER 82 7.309 -0.912 -15.560 635 HA SER 82 HA SER 82 7.942 -1.197 -12.878 636 HB2 SER 82 HB2 SER 82 5.367 -0.182 -14.116 637 HB3 SER 82 HB3 SER 82 5.993 0.229 -12.505 638 HG SER 82 HG SER 82 6.645 1.734 -14.108 639 H ILE 83 H ILE 83 5.841 -3.325 -14.620 640 HA ILE 83 HA ILE 83 4.827 -4.467 -12.064 641 HB ILE 83 HB ILE 83 3.172 -3.529 -13.721 642 HG12 ILE 83 HG12 ILE 83 1.501 -5.258 -13.515 643 HG13 ILE 83 HG13 ILE 83 2.701 -6.459 -13.066 644 HG21 ILE 83 HG21 ILE 83 2.542 -4.776 -15.678 645 HG22 ILE 83 HG22 ILE 83 4.261 -4.394 -15.801 646 HG23 ILE 83 HG23 ILE 83 3.743 -6.033 -15.346 647 HD11 ILE 83 HD11 ILE 83 1.409 -5.541 -11.136 648 HD12 ILE 83 HD12 ILE 83 3.147 -5.264 -10.956 649 HD13 ILE 83 HD13 ILE 83 2.078 -3.932 -11.468 650 H TRP 84 H TRP 84 7.355 -4.979 -14.011 651 HA TRP 84 HA TRP 84 7.176 -7.951 -14.069 652 HB2 TRP 84 HB2 TRP 84 9.186 -6.136 -15.418 653 HB3 TRP 84 HB3 TRP 84 9.035 -7.872 -15.618 654 HD1 TRP 84 HD1 TRP 84 5.677 -7.477 -15.938 655 HE1 TRP 84 HE1 TRP 84 4.816 -6.790 -18.240 656 HE3 TRP 84 HE3 TRP 84 10.057 -5.790 -17.976 657 HZ2 TRP 84 HZ2 TRP 84 5.854 -5.584 -20.638 658 HZ3 TRP 84 HZ3 TRP 84 10.082 -4.867 -20.279 659 HH2 TRP 84 HH2 TRP 84 7.996 -4.742 -21.608 660 H ARG 85 H ARG 85 8.879 -9.229 -13.310 661 HA ARG 85 HA ARG 85 10.988 -8.022 -11.600 662 HB2 ARG 85 HB2 ARG 85 9.107 -10.274 -10.766 663 HB3 ARG 85 HB3 ARG 85 10.610 -9.915 -9.939 664 HG2 ARG 85 HG2 ARG 85 8.267 -7.978 -10.181 665 HG3 ARG 85 HG3 ARG 85 8.622 -9.007 -8.792 666 HD2 ARG 85 HD2 ARG 85 10.812 -7.895 -8.506 667 HD3 ARG 85 HD3 ARG 85 10.443 -6.813 -9.861 668 HE ARG 85 HE ARG 85 8.308 -6.596 -8.027 669 HH11 ARG 85 HH11 ARG 85 11.732 -5.790 -8.060 670 HH12 ARG 85 HH12 ARG 85 11.525 -4.479 -6.919 671 HH21 ARG 85 HH21 ARG 85 8.123 -4.930 -6.565 672 HH22 ARG 85 HH22 ARG 85 9.533 -4.022 -6.083 673 H ALA 86 H ALA 86 12.905 -9.015 -11.651 674 HA ALA 86 HA ALA 86 13.282 -11.067 -13.756 675 HB1 ALA 86 HB1 ALA 86 14.413 -8.887 -13.945 676 HB2 ALA 86 HB2 ALA 86 15.247 -9.183 -12.402 677 HB3 ALA 86 HB3 ALA 86 15.574 -10.217 -13.806 678 H TYR 87 H TYR 87 13.132 -11.082 -10.371 679 HA TYR 87 HA TYR 87 14.917 -13.474 -10.132 680 HB2 TYR 87 HB2 TYR 87 14.686 -11.085 -8.275 681 HB3 TYR 87 HB3 TYR 87 15.546 -12.562 -7.888 682 HD1 TYR 87 HD2 TYR 87 17.575 -13.237 -9.245 683 HD2 TYR 87 HD1 TYR 87 15.718 -9.359 -9.571 684 HE1 TYR 87 HE2 TYR 87 19.661 -12.326 -10.245 685 HE2 TYR 87 HE1 TYR 87 17.809 -8.449 -10.579 686 HH TYR 87 HH TYR 87 20.679 -10.398 -11.101 687 H ILE 88 H ILE 88 14.307 -15.078 -8.850 688 HA ILE 88 HA ILE 88 12.688 -14.564 -6.537 689 HB ILE 88 HB ILE 88 10.903 -15.249 -8.054 690 HG12 ILE 88 HG12 ILE 88 11.482 -17.376 -5.953 691 HG13 ILE 88 HG13 ILE 88 10.885 -15.751 -5.613 692 HG21 ILE 88 HG21 ILE 88 10.718 -17.471 -9.017 693 HG22 ILE 88 HG22 ILE 88 12.204 -16.722 -9.596 694 HG23 ILE 88 HG23 ILE 88 12.274 -17.956 -8.320 695 HD11 ILE 88 HD11 ILE 88 8.854 -16.237 -6.998 696 HD12 ILE 88 HD12 ILE 88 9.421 -17.918 -7.170 697 HD13 ILE 88 HD13 ILE 88 9.027 -17.272 -5.569 698 H LEU 89 H LEU 89 13.495 -15.667 -4.823 699 HA LEU 89 HA LEU 89 15.681 -17.647 -5.338 700 HB2 LEU 89 HB2 LEU 89 15.394 -15.446 -3.274 701 HB3 LEU 89 HB3 LEU 89 16.436 -16.816 -3.006 702 HG LEU 89 HG LEU 89 17.697 -14.916 -3.731 703 HD11 LEU 89 HD11 LEU 89 19.044 -15.932 -5.450 704 HD12 LEU 89 HD12 LEU 89 18.483 -17.190 -4.341 705 HD13 LEU 89 HD13 LEU 89 17.722 -17.006 -5.941 706 HD21 LEU 89 HD21 LEU 89 17.604 -13.898 -5.879 707 HD22 LEU 89 HD22 LEU 89 16.373 -15.029 -6.460 708 HD23 LEU 89 HD23 LEU 89 15.972 -13.834 -5.195 709 H VAL 90 H VAL 90 15.531 -19.566 -4.517 710 HA VAL 90 HA VAL 90 13.491 -20.214 -2.427 711 HB VAL 90 HB VAL 90 13.585 -22.528 -3.242 712 HG11 VAL 90 HG11 VAL 90 11.876 -20.958 -4.085 713 HG12 VAL 90 HG12 VAL 90 12.933 -20.539 -5.451 714 HG13 VAL 90 HG13 VAL 90 12.310 -22.192 -5.279 715 HG21 VAL 90 HG21 VAL 90 15.281 -21.469 -5.551 716 HG22 VAL 90 HG22 VAL 90 15.867 -22.530 -4.247 717 HG23 VAL 90 HG23 VAL 90 14.625 -23.104 -5.366 718 H ASP 91 H ASP 91 16.613 -19.434 -2.484 719 HA ASP 91 HA ASP 91 17.772 -21.601 -0.896 720 HB2 ASP 91 HB2 ASP 91 19.086 -20.339 -2.535 721 HB3 ASP 91 HB3 ASP 91 18.799 -18.849 -1.648 722 H ASP 92 H ASP 92 18.083 -21.683 1.278 723 HA ASP 92 HA ASP 92 17.602 -19.389 3.029 724 HB2 ASP 92 HB2 ASP 92 15.329 -20.348 2.643 725 HB3 ASP 92 HB3 ASP 92 15.905 -21.904 3.234 726 H ASN 93 H ASN 93 18.183 -19.803 5.207 727 HA ASN 93 HA ASN 93 19.685 -20.236 6.769 728 HB2 ASN 93 HB2 ASN 93 18.272 -22.367 6.711 729 HB3 ASN 93 HB3 ASN 93 19.654 -23.146 5.946 730 HD21 ASN 93 HD22 ASN 93 19.198 -24.486 8.015 731 HD22 ASN 93 HD21 ASN 93 20.088 -23.976 9.446 732 H GLU 94 H GLU 94 21.884 -21.063 7.367 733 HA GLU 94 HA GLU 94 24.075 -20.646 7.194 734 HB2 GLU 94 HB2 GLU 94 23.713 -22.901 6.056 735 HB3 GLU 94 HB3 GLU 94 24.058 -22.081 4.533 736 HG2 GLU 94 HG2 GLU 94 26.307 -21.452 5.403 737 HG3 GLU 94 HG3 GLU 94 25.888 -22.114 6.975 738 H LYS 95 H LYS 95 22.447 -18.553 6.319 739 HA LYS 95 HA LYS 95 23.962 -17.179 4.149 740 HB2 LYS 95 HB2 LYS 95 21.912 -15.982 3.691 741 HB3 LYS 95 HB3 LYS 95 21.621 -17.718 3.692 742 HG2 LYS 95 HG2 LYS 95 20.662 -17.555 5.994 743 HG3 LYS 95 HG3 LYS 95 20.947 -15.804 5.974 744 HD2 LYS 95 HD2 LYS 95 19.407 -15.579 4.036 745 HD3 LYS 95 HD3 LYS 95 19.191 -17.329 4.005 746 HE2 LYS 95 HE2 LYS 95 17.282 -16.449 5.097 747 HE3 LYS 95 HE3 LYS 95 18.256 -17.232 6.328 748 HZ1 LYS 95 HZ1 LYS 95 18.185 -14.305 5.821 749 HZ2 LYS 95 HZ2 LYS 95 17.433 -15.061 7.048 750 HZ3 LYS 95 HZ3 LYS 95 19.060 -15.028 7.002 751 H ALA 96 H ALA 96 23.916 -17.070 7.444 752 HA ALA 96 HA ALA 96 23.458 -14.309 7.965 753 HB1 ALA 96 HB1 ALA 96 24.253 -14.845 10.218 754 HB2 ALA 96 HB2 ALA 96 23.166 -16.107 9.619 755 HB3 ALA 96 HB3 ALA 96 24.923 -16.381 9.636 756 H LYS 97 H LYS 97 24.781 -12.655 8.582 757 HA LYS 97 HA LYS 97 27.716 -12.768 8.230 758 HB2 LYS 97 HB2 LYS 97 25.881 -10.731 6.881 759 HB3 LYS 97 HB3 LYS 97 27.626 -10.551 7.026 760 HG2 LYS 97 HG2 LYS 97 27.936 -12.678 5.748 761 HG3 LYS 97 HG3 LYS 97 26.177 -12.757 5.514 762 HD2 LYS 97 HD2 LYS 97 26.246 -10.558 4.338 763 HD3 LYS 97 HD3 LYS 97 27.989 -10.483 4.602 764 HE2 LYS 97 HE2 LYS 97 27.642 -11.221 2.361 765 HE3 LYS 97 HE3 LYS 97 28.281 -12.570 3.286 766 HZ1 LYS 97 HZ1 LYS 97 26.009 -13.455 3.427 767 HZ2 LYS 97 HZ2 LYS 97 25.421 -12.184 2.582 768 HZ3 LYS 97 HZ3 LYS 97 26.431 -13.242 1.867 769 HA PRO 98 HA PRO 98 27.500 -10.300 11.948 770 HB2 PRO 98 HB2 PRO 98 29.870 -8.922 11.907 771 HB3 PRO 98 HB3 PRO 98 29.751 -10.678 12.215 772 HG2 PRO 98 HG2 PRO 98 30.385 -9.290 9.592 773 HG3 PRO 98 HG3 PRO 98 31.254 -10.656 10.363 774 HD2 PRO 98 HD2 PRO 98 29.412 -11.062 8.410 775 HD3 PRO 98 HD3 PRO 98 29.553 -12.185 9.792 776 H LYS 99 H LYS 99 28.133 -8.702 8.910 777 HA LYS 99 HA LYS 99 27.635 -6.776 7.929 778 HB2 LYS 99 HB2 LYS 99 25.351 -6.223 7.820 779 HB3 LYS 99 HB3 LYS 99 25.509 -7.958 7.985 780 HG2 LYS 99 HG2 LYS 99 24.784 -7.882 10.307 781 HG3 LYS 99 HG3 LYS 99 24.811 -6.103 10.301 782 HD2 LYS 99 HD2 LYS 99 23.030 -6.090 8.577 783 HD3 LYS 99 HD3 LYS 99 23.018 -7.867 8.575 784 HE2 LYS 99 HE2 LYS 99 22.413 -7.842 10.990 785 HE3 LYS 99 HE3 LYS 99 22.398 -6.082 10.965 786 HZ1 LYS 99 HZ1 LYS 99 20.168 -6.985 10.700 787 HZ2 LYS 99 HZ2 LYS 99 20.582 -6.183 9.344 788 HZ3 LYS 99 HZ3 LYS 99 20.597 -7.817 9.366 789 H VAL 100 H VAL 100 26.535 -4.564 8.040 790 HA VAL 100 HA VAL 100 27.209 -2.926 10.361 791 HB VAL 100 HB VAL 100 29.385 -3.215 9.197 792 HG11 VAL 100 HG11 VAL 100 28.133 -1.718 6.858 793 HG12 VAL 100 HG12 VAL 100 29.837 -2.169 7.047 794 HG13 VAL 100 HG13 VAL 100 28.615 -3.431 6.858 795 HG21 VAL 100 HG21 VAL 100 28.874 -1.141 10.480 796 HG22 VAL 100 HG22 VAL 100 30.077 -0.940 9.203 797 HG23 VAL 100 HG23 VAL 100 28.435 -0.343 8.945 798 H LEU 101 H LEU 101 26.409 -0.702 10.078 799 HA LEU 101 HA LEU 101 24.263 -0.426 8.000 800 HB2 LEU 101 HB2 LEU 101 24.536 0.659 10.815 801 HB3 LEU 101 HB3 LEU 101 23.487 1.404 9.637 802 HG LEU 101 HG LEU 101 22.234 0.005 11.119 803 HD11 LEU 101 HD11 LEU 101 21.460 0.259 8.780 804 HD12 LEU 101 HD12 LEU 101 22.268 -1.271 8.357 805 HD13 LEU 101 HD13 LEU 101 20.935 -1.259 9.525 806 HD21 LEU 101 HD21 LEU 101 22.367 -2.378 11.246 807 HD22 LEU 101 HD22 LEU 101 23.655 -2.448 10.031 808 HD23 LEU 101 HD23 LEU 101 23.964 -1.717 11.629 809 HA PRO 102 HA PRO 102 27.203 2.744 6.532 810 HB2 PRO 102 HB2 PRO 102 25.364 2.628 4.162 811 HB3 PRO 102 HB3 PRO 102 27.151 2.628 4.205 812 HG2 PRO 102 HG2 PRO 102 25.795 0.337 3.714 813 HG3 PRO 102 HG3 PRO 102 27.202 0.319 4.830 814 HD2 PRO 102 HD2 PRO 102 24.253 0.490 5.542 815 HD3 PRO 102 HD3 PRO 102 25.513 -0.606 6.188 816 H PHE 103 H PHE 103 23.830 2.894 7.135 817 HA PHE 103 HA PHE 103 23.168 5.504 6.209 818 HB2 PHE 103 HB2 PHE 103 21.550 3.734 6.665 819 HB3 PHE 103 HB3 PHE 103 21.982 3.734 8.367 820 HD1 PHE 103 HD2 PHE 103 20.869 6.254 5.764 821 HD2 PHE 103 HD1 PHE 103 20.422 4.740 9.775 822 HE1 PHE 103 HE2 PHE 103 19.123 7.953 6.217 823 HE2 PHE 103 HE1 PHE 103 18.678 6.448 10.221 824 HZ PHE 103 HZ PHE 103 18.038 8.064 8.448 825 H HIS 104 H HIS 104 22.496 7.347 7.539 826 HA HIS 104 HA HIS 104 24.658 8.398 9.077 827 HB2 HIS 104 HB2 HIS 104 21.826 9.473 8.888 828 HB3 HIS 104 HB3 HIS 104 23.300 10.386 9.194 829 HD1 HIS 104 HD1 HIS 104 21.009 9.703 6.463 830 HD2 HIS 104 HD2 HIS 104 25.164 10.123 6.906 831 HE1 HIS 104 HE1 HIS 104 21.924 10.184 4.146 832 H THR 105 H THR 105 21.898 6.581 10.083 833 HA THR 105 HA THR 105 20.839 6.133 12.030 834 HB THR 105 HB THR 105 23.518 6.470 13.375 835 HG1 THR 105 HG1 THR 105 23.904 4.470 12.521 836 HG21 THR 105 HG21 THR 105 21.264 4.436 13.763 837 HG22 THR 105 HG22 THR 105 22.806 4.479 14.642 838 HG23 THR 105 HG23 THR 105 21.623 5.761 14.893 839 H ILE 106 H ILE 106 20.307 8.589 11.290 840 HA ILE 106 HA ILE 106 20.212 10.299 13.710 841 HB ILE 106 HB ILE 106 19.274 12.012 12.228 842 HG12 ILE 106 HG12 ILE 106 19.785 10.040 9.947 843 HG13 ILE 106 HG13 ILE 106 18.195 10.486 10.564 844 HG21 ILE 106 HG21 ILE 106 21.371 12.555 11.146 845 HG22 ILE 106 HG22 ILE 106 21.708 11.782 12.692 846 HG23 ILE 106 HG23 ILE 106 21.896 10.858 11.192 847 HD11 ILE 106 HD11 ILE 106 18.629 11.753 8.564 848 HD12 ILE 106 HD12 ILE 106 18.652 12.868 9.944 849 HD13 ILE 106 HD13 ILE 106 20.177 12.343 9.190 850 H TYR 107 H TYR 107 18.798 7.753 13.554 851 HA TYR 107 HA TYR 107 15.941 8.590 13.776 852 HB2 TYR 107 HB2 TYR 107 16.670 6.902 11.999 853 HB3 TYR 107 HB3 TYR 107 17.044 5.802 13.312 854 HD1 TYR 107 HD1 TYR 107 14.372 7.583 11.487 855 HD2 TYR 107 HD2 TYR 107 15.252 4.667 14.538 856 HE1 TYR 107 HE1 TYR 107 11.989 6.862 11.483 857 HE2 TYR 107 HE2 TYR 107 12.864 3.955 14.539 858 HH TYR 107 HH TYR 107 10.447 5.379 12.430 859 H CYS 108 H CYS 108 14.693 7.331 15.473 860 HA CYS 108 HA CYS 108 16.339 6.278 17.684 861 HB2 CYS 108 HB2 CYS 108 15.879 8.729 18.130 862 HB3 CYS 108 HB3 CYS 108 14.154 8.312 18.235 863 HG CYS 108 HG CYS 108 16.680 6.976 19.915 864 H TYR 109 H TYR 109 15.535 4.557 18.656 865 HA TYR 109 HA TYR 109 13.002 3.348 17.815 866 HB2 TYR 109 HB2 TYR 109 15.036 2.008 18.155 867 HB3 TYR 109 HB3 TYR 109 15.122 2.530 19.830 868 HD1 TYR 109 HD2 TYR 109 13.133 0.524 17.397 869 HD2 TYR 109 HD1 TYR 109 13.825 1.479 21.545 870 HE1 TYR 109 HE2 TYR 109 11.726 -1.410 18.077 871 HE2 TYR 109 HE1 TYR 109 12.413 -0.460 22.223 872 HH TYR 109 HH TYR 109 10.880 -2.601 19.907 873 H ASN 110 H ASN 110 11.220 3.017 19.112 874 HA ASN 110 HA ASN 110 9.546 3.475 20.510 875 HB2 ASN 110 HB2 ASN 110 11.195 2.501 22.163 876 HB3 ASN 110 HB3 ASN 110 11.613 4.148 22.627 877 HD21 ASN 110 HD22 ASN 110 10.928 3.277 24.786 878 HD22 ASN 110 HD21 ASN 110 9.213 3.372 25.169 879 H CYS 111 H CYS 111 11.959 6.056 21.001 880 HA CYS 111 HA CYS 111 10.111 8.061 21.843 881 HB2 CYS 111 HB2 CYS 111 12.964 8.175 20.805 882 HB3 CYS 111 HB3 CYS 111 12.123 9.559 21.506 883 HG CYS 111 HG CYS 111 12.783 6.632 22.879 884 H GLY 112 H GLY 112 8.932 9.535 20.773 885 HA2 GLY 112 HA2 GLY 112 8.727 9.639 17.891 886 HA3 GLY 112 HA3 GLY 112 7.964 10.725 19.054 887 H GLY 113 H GLY 113 10.902 11.194 20.097 888 HA2 GLY 113 HA2 GLY 113 11.330 13.681 18.755 889 HA3 GLY 113 HA3 GLY 113 12.377 12.942 19.964 890 H LYS 114 H LYS 114 12.435 10.591 17.850 891 HA LYS 114 HA LYS 114 13.992 9.754 16.409 892 HB2 LYS 114 HB2 LYS 114 11.983 10.605 15.205 893 HB3 LYS 114 HB3 LYS 114 12.906 12.027 14.732 894 HG2 LYS 114 HG2 LYS 114 14.581 10.476 13.618 895 HG3 LYS 114 HG3 LYS 114 13.569 9.110 14.108 896 HD2 LYS 114 HD2 LYS 114 13.105 9.585 11.806 897 HD3 LYS 114 HD3 LYS 114 11.687 10.063 12.749 898 HE2 LYS 114 HE2 LYS 114 12.412 12.425 12.651 899 HE3 LYS 114 HE3 LYS 114 13.884 11.955 11.808 900 HZ1 LYS 114 HZ1 LYS 114 11.139 11.600 10.741 901 HZ2 LYS 114 HZ2 LYS 114 12.191 12.749 10.268 902 HZ3 LYS 114 HZ3 LYS 114 12.512 11.184 9.959 903 H GLY 115 H GLY 115 14.574 13.070 15.301 904 HA2 GLY 115 HA2 GLY 115 17.369 12.533 14.790 905 HA3 GLY 115 HA3 GLY 115 16.511 14.053 14.550 906 H HIS 116 H HIS 116 16.137 13.101 17.793 907 HA HIS 116 HA HIS 116 18.051 15.089 18.739 908 HB2 HIS 116 HB2 HIS 116 16.990 14.989 20.733 909 HB3 HIS 116 HB3 HIS 116 15.691 14.561 19.649 910 HD1 HIS 116 HD1 HIS 116 16.721 13.675 22.885 911 HD2 HIS 116 HD2 HIS 116 15.703 11.465 19.456 912 HE1 HIS 116 HE1 HIS 116 16.061 11.369 23.694 913 H PHE 117 H PHE 117 18.888 13.831 21.163 914 HA PHE 117 HA PHE 117 21.291 12.420 20.518 915 HB2 PHE 117 HB2 PHE 117 19.717 12.804 23.086 916 HB3 PHE 117 HB3 PHE 117 21.311 12.080 23.034 917 HD1 PHE 117 HD2 PHE 117 23.267 13.405 22.072 918 HD2 PHE 117 HD1 PHE 117 19.523 15.207 23.224 919 HE1 PHE 117 HE2 PHE 117 24.384 15.611 22.270 920 HE2 PHE 117 HE1 PHE 117 20.648 17.409 23.412 921 HZ PHE 117 HZ PHE 117 23.077 17.614 22.940 922 H GLY 118 H GLY 118 18.759 11.069 19.530 923 HA2 GLY 118 HA2 GLY 118 17.856 8.905 21.017 924 HA3 GLY 118 HA3 GLY 118 17.789 9.065 19.263 925 H ASP 119 H ASP 119 20.880 9.057 19.297 926 HA ASP 119 HA ASP 119 21.374 6.221 18.922 927 HB2 ASP 119 HB2 ASP 119 22.502 8.095 17.701 928 HB3 ASP 119 HB3 ASP 119 23.238 8.604 19.213 929 H ASP 120 H ASP 120 21.921 8.514 21.533 930 HA ASP 120 HA ASP 120 23.506 6.579 23.169 931 HB2 ASP 120 HB2 ASP 120 24.695 8.549 22.262 932 HB3 ASP 120 HB3 ASP 120 23.509 9.615 22.994 933 H CYS 121 H CYS 121 20.571 8.422 23.109 934 HA CYS 121 HA CYS 121 20.334 9.282 25.702 935 HB2 CYS 121 HB2 CYS 121 17.987 9.606 25.250 936 HB3 CYS 121 HB3 CYS 121 18.916 9.986 23.798 937 HG CYS 121 HG CYS 121 17.467 7.101 24.511 938 H LYS 122 H LYS 122 19.356 8.689 27.564 939 HA LYS 122 HA LYS 122 19.275 5.843 28.254 940 HB2 LYS 122 HB2 LYS 122 18.583 8.319 29.884 941 HB3 LYS 122 HB3 LYS 122 18.751 6.695 30.530 942 HG2 LYS 122 HG2 LYS 122 20.968 8.376 29.273 943 HG3 LYS 122 HG3 LYS 122 20.727 8.103 30.985 944 HD2 LYS 122 HD2 LYS 122 21.461 5.985 28.918 945 HD3 LYS 122 HD3 LYS 122 22.559 6.726 30.065 946 HE2 LYS 122 HE2 LYS 122 20.166 4.985 30.799 947 HE3 LYS 122 HE3 LYS 122 21.835 4.450 30.725 948 HZ1 LYS 122 HZ1 LYS 122 21.224 4.987 32.987 949 HZ2 LYS 122 HZ2 LYS 122 22.370 6.029 32.493 950 HZ3 LYS 122 HZ3 LYS 122 20.810 6.512 32.596 951 H GLU 123 H GLU 123 17.492 4.774 29.212 952 HA GLU 123 HA GLU 123 15.002 5.235 27.777 953 HB2 GLU 123 HB2 GLU 123 14.292 3.127 28.701 954 HB3 GLU 123 HB3 GLU 123 15.923 3.005 28.053 955 HG2 GLU 123 HG2 GLU 123 16.845 3.180 30.366 956 HG3 GLU 123 HG3 GLU 123 15.212 3.287 31.005 957 H LYS 124 H LYS 124 16.081 6.503 30.700 958 HA LYS 124 HA LYS 124 13.371 7.405 31.466 959 HB2 LYS 124 HB2 LYS 124 13.857 5.326 32.764 960 HB3 LYS 124 HB3 LYS 124 15.298 6.099 33.435 961 HG2 LYS 124 HG2 LYS 124 13.873 7.842 34.483 962 HG3 LYS 124 HG3 LYS 124 12.433 7.098 33.761 963 HD2 LYS 124 HD2 LYS 124 12.870 5.012 35.029 964 HD3 LYS 124 HD3 LYS 124 14.316 5.753 35.750 965 HE2 LYS 124 HE2 LYS 124 12.908 7.517 36.761 966 HE3 LYS 124 HE3 LYS 124 11.472 6.812 36.029 967 HZ1 LYS 124 HZ1 LYS 124 13.190 5.466 38.041 968 HZ2 LYS 124 HZ2 LYS 124 11.718 6.106 38.328 969 HZ3 LYS 124 HZ3 LYS 124 11.859 4.806 37.356 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -25.569 16.632 7.417 2 H2 LYS 1 H2 LYS 1 -25.798 17.323 5.956 3 H3 LYS 1 H3 LYS 1 -25.707 18.262 7.294 4 HA LYS 1 HA LYS 1 -23.667 18.402 6.034 5 HB2 LYS 1 HB2 LYS 1 -23.771 18.430 8.633 6 HB3 LYS 1 HB3 LYS 1 -23.047 16.827 8.554 7 HG2 LYS 1 HG2 LYS 1 -21.127 17.821 7.248 8 HG3 LYS 1 HG3 LYS 1 -21.879 19.408 7.405 9 HD2 LYS 1 HD2 LYS 1 -20.880 17.625 9.662 10 HD3 LYS 1 HD3 LYS 1 -20.046 19.033 9.031 11 HE2 LYS 1 HE2 LYS 1 -22.735 19.071 10.469 12 HE3 LYS 1 HE3 LYS 1 -21.183 19.437 11.192 13 HZ1 LYS 1 HZ1 LYS 1 -20.957 21.313 9.662 14 HZ2 LYS 1 HZ2 LYS 1 -22.426 21.012 9.006 15 HZ3 LYS 1 HZ3 LYS 1 -22.299 21.462 10.565 16 H GLU 2 H GLU 2 -21.679 17.300 5.302 17 HA GLU 2 HA GLU 2 -22.316 14.996 3.735 18 HB2 GLU 2 HB2 GLU 2 -19.666 16.353 4.347 19 HB3 GLU 2 HB3 GLU 2 -19.878 15.121 3.110 20 HG2 GLU 2 HG2 GLU 2 -21.317 17.807 3.121 21 HG3 GLU 2 HG3 GLU 2 -19.844 17.455 2.244 22 H ALA 3 H ALA 3 -20.914 15.164 6.939 23 HA ALA 3 HA ALA 3 -20.585 12.211 6.952 24 HB1 ALA 3 HB1 ALA 3 -18.506 14.195 7.962 25 HB2 ALA 3 HB2 ALA 3 -18.416 12.424 8.081 26 HB3 ALA 3 HB3 ALA 3 -18.361 13.208 6.495 27 H ALA 4 H ALA 4 -21.356 11.245 8.729 28 HA ALA 4 HA ALA 4 -22.411 12.676 11.020 29 HB1 ALA 4 HB1 ALA 4 -21.907 9.707 10.533 30 HB2 ALA 4 HB2 ALA 4 -22.731 10.398 11.939 31 HB3 ALA 4 HB3 ALA 4 -23.424 10.590 10.318 32 HA PRO 5 HA PRO 5 -18.521 11.233 13.341 33 HB2 PRO 5 HB2 PRO 5 -16.358 10.126 12.096 34 HB3 PRO 5 HB3 PRO 5 -17.805 9.169 12.546 35 HG2 PRO 5 HG2 PRO 5 -17.152 10.416 9.849 36 HG3 PRO 5 HG3 PRO 5 -17.631 8.723 10.195 37 HD2 PRO 5 HD2 PRO 5 -19.432 10.543 9.397 38 HD3 PRO 5 HD3 PRO 5 -19.832 9.340 10.666 39 H LYS 6 H LYS 6 -17.839 12.614 10.162 40 HA LYS 6 HA LYS 6 -16.041 13.689 9.254 41 HB2 LYS 6 HB2 LYS 6 -16.933 15.290 11.470 42 HB3 LYS 6 HB3 LYS 6 -15.198 15.410 11.452 43 HG2 LYS 6 HG2 LYS 6 -17.102 15.987 9.136 44 HG3 LYS 6 HG3 LYS 6 -16.363 17.177 10.202 45 HD2 LYS 6 HD2 LYS 6 -14.105 16.531 9.325 46 HD3 LYS 6 HD3 LYS 6 -14.905 15.451 8.156 47 HE2 LYS 6 HE2 LYS 6 -16.247 17.385 7.320 48 HE3 LYS 6 HE3 LYS 6 -15.430 18.436 8.471 49 HZ1 LYS 6 HZ1 LYS 6 -14.427 18.609 6.294 50 HZ2 LYS 6 HZ2 LYS 6 -13.361 18.000 7.353 51 HZ3 LYS 6 HZ3 LYS 6 -14.073 17.011 6.250 52 H CYS 7 H CYS 7 -13.540 14.518 10.199 53 HA CYS 7 HA CYS 7 -12.022 12.109 10.805 54 HB2 CYS 7 HB2 CYS 7 -11.509 15.090 11.048 55 HB3 CYS 7 HB3 CYS 7 -10.309 13.867 11.508 56 HG CYS 7 HG CYS 7 -11.834 13.839 8.561 57 H ASN 8 H ASN 8 -10.910 11.619 12.869 58 HA ASN 8 HA ASN 8 -12.506 11.993 15.270 59 HB2 ASN 8 HB2 ASN 8 -11.038 9.958 14.997 60 HB3 ASN 8 HB3 ASN 8 -9.632 11.016 14.958 61 HD21 ASN 8 HD22 ASN 8 -8.961 9.598 16.810 62 HD22 ASN 8 HD21 ASN 8 -9.553 10.056 18.405 63 H ASN 9 H ASN 9 -12.768 14.129 15.707 64 HA ASN 9 HA ASN 9 -12.485 16.167 16.531 65 HB2 ASN 9 HB2 ASN 9 -11.404 14.850 18.325 66 HB3 ASN 9 HB3 ASN 9 -9.832 15.130 17.577 67 HD21 ASN 9 HD22 ASN 9 -12.604 16.783 19.143 68 HD22 ASN 9 HD21 ASN 9 -11.649 18.181 19.625 69 H CYS 10 H CYS 10 -9.651 15.296 14.553 70 HA CYS 10 HA CYS 10 -8.747 18.017 14.327 71 HB2 CYS 10 HB2 CYS 10 -6.988 17.077 12.973 72 HB3 CYS 10 HB3 CYS 10 -7.274 16.017 14.360 73 HG CYS 10 HG CYS 10 -6.758 14.590 12.236 74 H SER 11 H SER 11 -11.328 16.681 12.853 75 HA SER 11 HA SER 11 -12.685 17.062 11.095 76 HB2 SER 11 HB2 SER 11 -13.285 19.409 10.867 77 HB3 SER 11 HB3 SER 11 -13.010 18.948 12.549 78 HG SER 11 HG SER 11 -11.934 20.873 12.011 79 H GLN 12 H GLN 12 -9.530 17.335 10.048 80 HA GLN 12 HA GLN 12 -10.305 18.424 7.378 81 HB2 GLN 12 HB2 GLN 12 -7.661 18.399 8.846 82 HB3 GLN 12 HB3 GLN 12 -7.894 18.965 7.188 83 HG2 GLN 12 HG2 GLN 12 -9.441 20.711 7.957 84 HG3 GLN 12 HG3 GLN 12 -9.277 20.169 9.625 85 HE21 GLN 12 HE22 GLN 12 -8.714 22.758 9.314 86 HE22 GLN 12 HE21 GLN 12 -6.977 23.039 9.309 87 H ARG 13 H ARG 13 -10.334 17.245 5.750 88 HA ARG 13 HA ARG 13 -10.143 15.721 4.165 89 HB2 ARG 13 HB2 ARG 13 -7.970 15.566 3.170 90 HB3 ARG 13 HB3 ARG 13 -8.375 17.188 3.700 91 HG2 ARG 13 HG2 ARG 13 -6.851 16.979 5.634 92 HG3 ARG 13 HG3 ARG 13 -6.454 15.315 5.151 93 HD2 ARG 13 HD2 ARG 13 -5.589 16.144 2.995 94 HD3 ARG 13 HD3 ARG 13 -6.012 17.806 3.452 95 HE ARG 13 HE ARG 13 -4.328 16.762 5.472 96 HH11 ARG 13 HH11 ARG 13 -3.909 17.539 2.051 97 HH12 ARG 13 HH12 ARG 13 -2.182 17.762 2.287 98 HH21 ARG 13 HH21 ARG 13 -2.299 17.172 5.650 99 HH22 ARG 13 HH22 ARG 13 -1.272 17.555 4.266 100 H GLY 14 H GLY 14 -10.650 13.783 3.754 101 HA2 GLY 14 HA2 GLY 14 -10.591 11.476 3.601 102 HA3 GLY 14 HA3 GLY 14 -8.932 11.550 4.176 103 H HIS 15 H HIS 15 -9.031 9.808 5.430 104 HA HIS 15 HA HIS 15 -10.301 8.387 6.987 105 HB2 HIS 15 HB2 HIS 15 -8.540 8.285 8.662 106 HB3 HIS 15 HB3 HIS 15 -7.928 8.430 7.034 107 HD1 HIS 15 HD1 HIS 15 -5.841 9.033 9.049 108 HD2 HIS 15 HD2 HIS 15 -8.620 11.938 7.830 109 HE1 HIS 15 HE1 HIS 15 -4.852 11.288 9.679 110 H LEU 16 H LEU 16 -12.309 8.750 7.710 111 HA LEU 16 HA LEU 16 -13.122 10.674 9.647 112 HB2 LEU 16 HB2 LEU 16 -15.125 9.227 9.855 113 HB3 LEU 16 HB3 LEU 16 -14.689 9.650 8.217 114 HG LEU 16 HG LEU 16 -13.551 7.311 8.069 115 HD11 LEU 16 HD11 LEU 16 -14.609 5.596 9.528 116 HD12 LEU 16 HD12 LEU 16 -13.534 6.658 10.433 117 HD13 LEU 16 HD13 LEU 16 -15.305 6.885 10.526 118 HD21 LEU 16 HD21 LEU 16 -15.639 7.921 6.931 119 HD22 LEU 16 HD22 LEU 16 -15.655 6.246 7.491 120 HD23 LEU 16 HD23 LEU 16 -16.570 7.485 8.383 121 H LYS 17 H LYS 17 -14.289 9.647 11.765 122 HA LYS 17 HA LYS 17 -12.582 9.635 13.764 123 HB2 LYS 17 HB2 LYS 17 -15.222 9.340 13.711 124 HB3 LYS 17 HB3 LYS 17 -14.871 7.688 14.159 125 HG2 LYS 17 HG2 LYS 17 -13.964 10.210 15.601 126 HG3 LYS 17 HG3 LYS 17 -15.320 9.201 16.069 127 HD2 LYS 17 HD2 LYS 17 -12.381 8.369 16.178 128 HD3 LYS 17 HD3 LYS 17 -13.392 8.886 17.520 129 HE2 LYS 17 HE2 LYS 17 -14.935 6.943 17.030 130 HE3 LYS 17 HE3 LYS 17 -13.760 6.363 15.857 131 HZ1 LYS 17 HZ1 LYS 17 -13.235 6.763 18.751 132 HZ2 LYS 17 HZ2 LYS 17 -13.442 5.325 18.027 133 HZ3 LYS 17 HZ3 LYS 17 -12.128 6.225 17.678 134 H LYS 18 H LYS 18 -13.816 6.392 12.911 135 HA LYS 18 HA LYS 18 -11.636 4.988 14.203 136 HB2 LYS 18 HB2 LYS 18 -12.775 2.968 13.480 137 HB3 LYS 18 HB3 LYS 18 -13.897 4.108 14.208 138 HG2 LYS 18 HG2 LYS 18 -14.735 4.774 11.999 139 HG3 LYS 18 HG3 LYS 18 -13.539 3.732 11.201 140 HD2 LYS 18 HD2 LYS 18 -14.577 1.741 12.237 141 HD3 LYS 18 HD3 LYS 18 -15.757 2.779 13.067 142 HE2 LYS 18 HE2 LYS 18 -16.573 3.593 10.869 143 HE3 LYS 18 HE3 LYS 18 -15.408 2.561 10.047 144 HZ1 LYS 18 HZ1 LYS 18 -17.610 1.582 11.781 145 HZ2 LYS 18 HZ2 LYS 18 -17.598 1.525 10.154 146 HZ3 LYS 18 HZ3 LYS 18 -16.535 0.628 11.001 147 H ASP 19 H ASP 19 -11.462 6.569 11.344 148 HA ASP 19 HA ASP 19 -9.623 4.636 10.033 149 HB2 ASP 19 HB2 ASP 19 -11.616 5.911 8.916 150 HB3 ASP 19 HB3 ASP 19 -10.536 7.292 8.943 151 H CYS 20 H CYS 20 -9.725 7.870 11.549 152 HA CYS 20 HA CYS 20 -7.239 8.937 11.070 153 HB2 CYS 20 HB2 CYS 20 -9.046 8.947 13.495 154 HB3 CYS 20 HB3 CYS 20 -7.466 9.742 13.557 155 HG CYS 20 HG CYS 20 -9.630 10.250 11.123 156 HA PRO 21 HA PRO 21 -4.987 6.515 14.474 157 HB2 PRO 21 HB2 PRO 21 -5.775 4.024 15.300 158 HB3 PRO 21 HB3 PRO 21 -6.366 5.549 16.019 159 HG2 PRO 21 HG2 PRO 21 -7.694 3.889 13.857 160 HG3 PRO 21 HG3 PRO 21 -8.419 4.503 15.380 161 HD2 PRO 21 HD2 PRO 21 -8.760 5.808 13.071 162 HD3 PRO 21 HD3 PRO 21 -8.440 6.730 14.567 163 H HIS 22 H HIS 22 -5.935 5.269 11.427 164 HA HIS 22 HA HIS 22 -4.020 3.128 11.183 165 HB2 HIS 22 HB2 HIS 22 -5.341 4.881 9.089 166 HB3 HIS 22 HB3 HIS 22 -4.336 3.490 8.726 167 HD1 HIS 22 HD1 HIS 22 -7.735 4.050 8.538 168 HD2 HIS 22 HD2 HIS 22 -5.450 1.263 10.669 169 HE1 HIS 22 HE1 HIS 22 -9.272 2.104 8.994 170 H ILE 23 H ILE 23 -2.087 3.089 9.984 171 HA ILE 23 HA ILE 23 -0.456 5.575 10.235 172 HB ILE 23 HB ILE 23 1.481 4.059 10.612 173 HG12 ILE 23 HG12 ILE 23 1.097 1.833 11.573 174 HG13 ILE 23 HG13 ILE 23 -0.595 1.875 11.111 175 HG21 ILE 23 HG21 ILE 23 0.327 5.294 12.402 176 HG22 ILE 23 HG22 ILE 23 -0.760 3.917 12.664 177 HG23 ILE 23 HG23 ILE 23 0.976 3.755 12.978 178 HD11 ILE 23 HD11 ILE 23 0.921 0.509 9.631 179 HD12 ILE 23 HD12 ILE 23 -0.011 1.725 8.754 180 HD13 ILE 23 HD13 ILE 23 1.715 2.008 9.122 181 H ILE 24 H ILE 24 1.503 5.669 8.901 182 HA ILE 24 HA ILE 24 0.844 5.155 6.072 183 HB ILE 24 HB ILE 24 3.070 6.404 5.731 184 HG12 ILE 24 HG12 ILE 24 2.527 7.444 8.543 185 HG13 ILE 24 HG13 ILE 24 3.778 6.251 8.191 186 HG21 ILE 24 HG21 ILE 24 0.548 7.701 6.830 187 HG22 ILE 24 HG22 ILE 24 1.832 8.588 5.981 188 HG23 ILE 24 HG23 ILE 24 0.948 7.315 5.140 189 HD11 ILE 24 HD11 ILE 24 4.788 8.435 8.296 190 HD12 ILE 24 HD12 ILE 24 4.855 7.861 6.619 191 HD13 ILE 24 HD13 ILE 24 3.666 9.096 7.101 192 H CYS 25 H CYS 25 1.505 3.458 4.946 193 HA CYS 25 HA CYS 25 3.649 1.722 6.000 194 HB2 CYS 25 HB2 CYS 25 2.982 0.118 4.350 195 HB3 CYS 25 HB3 CYS 25 1.570 0.678 5.249 196 HG CYS 25 HG CYS 25 2.601 1.681 2.277 197 H SER 26 H SER 26 5.556 1.295 4.976 198 HA SER 26 HA SER 26 7.557 1.965 4.127 199 HB2 SER 26 HB2 SER 26 7.646 1.722 1.693 200 HB3 SER 26 HB3 SER 26 6.620 0.504 2.455 201 HG SER 26 HG SER 26 5.584 1.435 0.685 202 H TYR 27 H TYR 27 6.013 4.354 4.947 203 HA TYR 27 HA TYR 27 5.883 6.571 4.785 204 HB2 TYR 27 HB2 TYR 27 8.447 5.964 5.175 205 HB3 TYR 27 HB3 TYR 27 8.649 6.813 3.660 206 HD1 TYR 27 HD1 TYR 27 7.716 7.048 7.207 207 HD2 TYR 27 HD2 TYR 27 8.136 9.270 3.534 208 HE1 TYR 27 HE1 TYR 27 7.573 9.176 8.481 209 HE2 TYR 27 HE2 TYR 27 7.979 11.400 4.812 210 HH TYR 27 HH TYR 27 7.578 11.501 8.303 211 H CYS 28 H CYS 28 4.771 5.268 2.464 212 HA CYS 28 HA CYS 28 5.620 6.709 0.104 213 HB2 CYS 28 HB2 CYS 28 4.042 5.363 -1.058 214 HB3 CYS 28 HB3 CYS 28 4.808 4.342 0.163 215 HG CYS 28 HG CYS 28 1.872 5.870 0.285 216 H GLY 29 H GLY 29 3.183 7.309 2.499 217 HA2 GLY 29 HA2 GLY 29 2.279 9.758 1.041 218 HA3 GLY 29 HA3 GLY 29 1.129 8.736 1.907 219 H ALA 30 H ALA 30 1.127 11.252 2.689 220 HA ALA 30 HA ALA 30 2.992 11.746 4.917 221 HB1 ALA 30 HB1 ALA 30 2.306 13.596 3.428 222 HB2 ALA 30 HB2 ALA 30 0.607 13.326 3.876 223 HB3 ALA 30 HB3 ALA 30 1.774 13.876 5.098 224 H THR 31 H THR 31 2.361 11.788 7.124 225 HA THR 31 HA THR 31 0.328 9.911 7.868 226 HB THR 31 HB THR 31 2.373 10.380 9.147 227 HG1 THR 31 HG1 THR 31 1.291 10.038 11.047 228 HG21 THR 31 HG21 THR 31 0.894 12.810 10.245 229 HG22 THR 31 HG22 THR 31 2.460 12.166 10.780 230 HG23 THR 31 HG23 THR 31 2.314 12.886 9.174 231 H ASP 32 H ASP 32 0.050 13.266 7.158 232 HA ASP 32 HA ASP 32 -2.714 13.406 8.266 233 HB2 ASP 32 HB2 ASP 32 -0.993 15.196 8.720 234 HB3 ASP 32 HB3 ASP 32 -1.039 15.593 7.009 235 H ASP 33 H ASP 33 -1.323 12.367 5.403 236 HA ASP 33 HA ASP 33 -3.806 12.594 3.921 237 HB2 ASP 33 HB2 ASP 33 -2.750 14.768 3.412 238 HB3 ASP 33 HB3 ASP 33 -1.319 13.946 2.798 239 H HIS 34 H HIS 34 -3.775 10.374 4.067 240 HA HIS 34 HA HIS 34 -2.215 8.917 2.048 241 HB2 HIS 34 HB2 HIS 34 -0.685 8.798 3.882 242 HB3 HIS 34 HB3 HIS 34 -1.970 8.479 5.042 243 HD1 HIS 34 HD1 HIS 34 -2.510 5.964 5.489 244 HD2 HIS 34 HD2 HIS 34 0.044 6.705 2.239 245 HE1 HIS 34 HE1 HIS 34 -1.503 3.722 4.845 246 H TYR 35 H TYR 35 -3.603 7.505 1.071 247 HA TYR 35 HA TYR 35 -5.872 6.346 2.555 248 HB2 TYR 35 HB2 TYR 35 -6.548 8.643 1.750 249 HB3 TYR 35 HB3 TYR 35 -6.277 8.098 0.103 250 HD1 TYR 35 HD2 TYR 35 -8.065 6.882 3.204 251 HD2 TYR 35 HD1 TYR 35 -8.233 7.540 -1.053 252 HE1 TYR 35 HE2 TYR 35 -10.390 6.018 3.168 253 HE2 TYR 35 HE1 TYR 35 -10.590 6.707 -1.077 254 HH TYR 35 HH TYR 35 -12.228 5.555 1.798 255 H SER 36 H SER 36 -6.922 4.630 1.518 256 HA SER 36 HA SER 36 -5.183 2.808 0.380 257 HB2 SER 36 HB2 SER 36 -8.215 2.754 0.372 258 HB3 SER 36 HB3 SER 36 -7.136 1.348 0.236 259 HG SER 36 HG SER 36 -7.771 1.796 2.405 260 H ARG 37 H ARG 37 -7.348 4.938 -1.353 261 HA ARG 37 HA ARG 37 -6.037 4.026 -3.868 262 HB2 ARG 37 HB2 ARG 37 -7.697 5.096 -5.203 263 HB3 ARG 37 HB3 ARG 37 -8.438 3.883 -4.165 264 HG2 ARG 37 HG2 ARG 37 -9.308 5.589 -2.670 265 HG3 ARG 37 HG3 ARG 37 -8.483 6.879 -3.562 266 HD2 ARG 37 HD2 ARG 37 -10.621 5.049 -4.717 267 HD3 ARG 37 HD3 ARG 37 -10.916 6.674 -4.085 268 HE ARG 37 HE ARG 37 -8.910 7.012 -5.994 269 HH11 ARG 37 HH11 ARG 37 -12.237 5.882 -6.119 270 HH12 ARG 37 HH12 ARG 37 -12.416 6.374 -7.792 271 HH21 ARG 37 HH21 ARG 37 -9.213 7.601 -8.054 272 HH22 ARG 37 HH22 ARG 37 -10.733 7.332 -8.876 273 H HIS 38 H HIS 38 -4.985 5.494 -5.071 274 HA HIS 38 HA HIS 38 -3.522 7.110 -5.507 275 HB2 HIS 38 HB2 HIS 38 -4.954 9.015 -3.674 276 HB3 HIS 38 HB3 HIS 38 -3.941 9.388 -5.055 277 HD1 HIS 38 HD1 HIS 38 -7.068 10.257 -4.630 278 HD2 HIS 38 HD2 HIS 38 -5.534 7.232 -7.100 279 HE1 HIS 38 HE1 HIS 38 -8.802 9.875 -6.440 280 H CYS 39 H CYS 39 -3.787 6.231 -2.178 281 HA CYS 39 HA CYS 39 -2.059 6.141 -0.618 282 HB2 CYS 39 HB2 CYS 39 -2.943 4.145 -1.861 283 HB3 CYS 39 HB3 CYS 39 -1.423 4.033 -2.711 284 HG CYS 39 HG CYS 39 -1.559 2.379 -0.682 285 HA PRO 40 HA PRO 40 2.334 6.825 -2.001 286 HB2 PRO 40 HB2 PRO 40 3.290 6.574 -4.532 287 HB3 PRO 40 HB3 PRO 40 2.855 5.154 -3.535 288 HG2 PRO 40 HG2 PRO 40 1.091 6.568 -5.585 289 HG3 PRO 40 HG3 PRO 40 1.534 4.827 -5.534 290 HD2 PRO 40 HD2 PRO 40 -0.765 5.648 -4.412 291 HD3 PRO 40 HD3 PRO 40 0.298 4.453 -3.598 292 H LYS 41 H LYS 41 -0.059 8.595 -3.724 293 HA LYS 41 HA LYS 41 1.736 10.492 -5.005 294 HB2 LYS 41 HB2 LYS 41 -1.300 10.375 -4.960 295 HB3 LYS 41 HB3 LYS 41 -0.320 11.449 -5.957 296 HG2 LYS 41 HG2 LYS 41 0.764 9.446 -7.006 297 HG3 LYS 41 HG3 LYS 41 -0.396 8.417 -6.145 298 HD2 LYS 41 HD2 LYS 41 -2.274 9.576 -7.259 299 HD3 LYS 41 HD3 LYS 41 -1.130 10.655 -8.082 300 HE2 LYS 41 HE2 LYS 41 -0.076 8.684 -9.169 301 HE3 LYS 41 HE3 LYS 41 -1.253 7.630 -8.396 302 HZ1 LYS 41 HZ1 LYS 41 -1.901 9.786 -10.331 303 HZ2 LYS 41 HZ2 LYS 41 -1.918 8.192 -10.657 304 HZ3 LYS 41 HZ3 LYS 41 -3.006 8.817 -9.617 305 H ALA 42 H ALA 42 1.645 10.537 -2.014 306 HA ALA 42 HA ALA 42 0.694 13.345 -1.584 307 HB1 ALA 42 HB1 ALA 42 0.018 12.640 0.635 308 HB2 ALA 42 HB2 ALA 42 -0.761 11.662 -0.613 309 HB3 ALA 42 HB3 ALA 42 0.592 10.985 0.317 310 H ILE 43 H ILE 43 3.621 11.771 -1.704 311 HA ILE 43 HA ILE 43 4.866 13.720 0.198 312 HB ILE 43 HB ILE 43 6.015 11.160 -0.934 313 HG12 ILE 43 HG12 ILE 43 4.334 10.771 0.834 314 HG13 ILE 43 HG13 ILE 43 5.946 10.304 1.324 315 HG21 ILE 43 HG21 ILE 43 7.951 12.512 -0.655 316 HG22 ILE 43 HG22 ILE 43 7.314 13.278 0.816 317 HG23 ILE 43 HG23 ILE 43 7.851 11.585 0.825 318 HD11 ILE 43 HD11 ILE 43 6.147 12.417 2.670 319 HD12 ILE 43 HD12 ILE 43 4.475 12.825 2.216 320 HD13 ILE 43 HD13 ILE 43 4.821 11.382 3.186 321 H GLN 44 H GLN 44 3.671 14.721 -2.009 322 HA GLN 44 HA GLN 44 5.895 16.025 -3.351 323 HB2 GLN 44 HB2 GLN 44 5.322 15.485 -5.598 324 HB3 GLN 44 HB3 GLN 44 5.453 13.958 -4.736 325 HG2 GLN 44 HG2 GLN 44 2.882 14.071 -4.457 326 HG3 GLN 44 HG3 GLN 44 2.921 15.372 -5.648 327 HE21 GLN 44 HE22 GLN 44 4.347 14.651 -7.750 328 HE22 GLN 44 HE21 GLN 44 3.907 13.054 -8.340 329 H CYS 45 H CYS 45 5.256 17.847 -4.619 330 HA CYS 45 HA CYS 45 2.637 19.095 -3.885 331 HB2 CYS 45 HB2 CYS 45 4.562 20.296 -3.060 332 HB3 CYS 45 HB3 CYS 45 5.357 20.232 -4.630 333 HG CYS 45 HG CYS 45 2.588 21.858 -3.769 334 H SER 46 H SER 46 1.703 20.494 -5.658 335 HA SER 46 HA SER 46 1.191 19.228 -8.110 336 HB2 SER 46 HB2 SER 46 1.208 22.191 -7.456 337 HB3 SER 46 HB3 SER 46 0.387 21.426 -8.833 338 HG SER 46 HG SER 46 -0.985 21.620 -7.019 339 H LYS 47 H LYS 47 2.103 19.195 -10.033 340 HA LYS 47 HA LYS 47 3.804 18.828 -11.417 341 HB2 LYS 47 HB2 LYS 47 4.658 20.666 -12.611 342 HB3 LYS 47 HB3 LYS 47 2.972 20.950 -12.218 343 HG2 LYS 47 HG2 LYS 47 3.557 22.546 -10.476 344 HG3 LYS 47 HG3 LYS 47 5.284 22.206 -10.673 345 HD2 LYS 47 HD2 LYS 47 3.458 23.428 -12.788 346 HD3 LYS 47 HD3 LYS 47 4.552 24.326 -11.729 347 HE2 LYS 47 HE2 LYS 47 6.481 23.049 -12.679 348 HE3 LYS 47 HE3 LYS 47 5.382 22.248 -13.795 349 HZ1 LYS 47 HZ1 LYS 47 5.871 25.171 -13.700 350 HZ2 LYS 47 HZ2 LYS 47 6.439 24.153 -14.836 351 HZ3 LYS 47 HZ3 LYS 47 4.838 24.432 -14.729 352 H CYS 48 H CYS 48 4.599 18.543 -8.589 353 HA CYS 48 HA CYS 48 7.547 18.404 -9.045 354 HB2 CYS 48 HB2 CYS 48 6.113 18.581 -6.370 355 HB3 CYS 48 HB3 CYS 48 7.857 18.537 -6.643 356 HG CYS 48 HG CYS 48 5.699 20.816 -7.611 357 H ASP 49 H ASP 49 8.569 16.449 -8.357 358 HA ASP 49 HA ASP 49 6.786 14.108 -7.922 359 HB2 ASP 49 HB2 ASP 49 8.468 12.743 -8.773 360 HB3 ASP 49 HB3 ASP 49 8.332 14.100 -9.873 361 H GLU 50 H GLU 50 8.589 16.221 -6.115 362 HA GLU 50 HA GLU 50 8.439 14.496 -3.727 363 HB2 GLU 50 HB2 GLU 50 10.911 16.131 -4.457 364 HB3 GLU 50 HB3 GLU 50 10.604 15.382 -2.889 365 HG2 GLU 50 HG2 GLU 50 10.507 13.145 -4.033 366 HG3 GLU 50 HG3 GLU 50 11.052 13.927 -5.513 367 H VAL 51 H VAL 51 8.840 16.140 -1.727 368 HA VAL 51 HA VAL 51 7.325 18.640 -2.142 369 HB VAL 51 HB VAL 51 7.806 19.052 0.273 370 HG11 VAL 51 HG11 VAL 51 6.340 16.476 -0.436 371 HG12 VAL 51 HG12 VAL 51 6.108 17.457 1.028 372 HG13 VAL 51 HG13 VAL 51 5.683 18.123 -0.553 373 HG21 VAL 51 HG21 VAL 51 8.700 16.130 0.335 374 HG22 VAL 51 HG22 VAL 51 9.789 17.521 0.547 375 HG23 VAL 51 HG23 VAL 51 8.492 17.227 1.709 376 H GLY 52 H GLY 52 8.911 19.016 -3.844 377 HA2 GLY 52 HA2 GLY 52 11.651 18.977 -3.333 378 HA3 GLY 52 HA3 GLY 52 10.863 19.368 -4.856 379 H HIS 53 H HIS 53 9.800 21.834 -2.925 380 HA HIS 53 HA HIS 53 12.256 23.443 -2.936 381 HB2 HIS 53 HB2 HIS 53 11.449 25.197 -4.355 382 HB3 HIS 53 HB3 HIS 53 11.419 23.694 -5.253 383 HD1 HIS 53 HD1 HIS 53 8.985 26.228 -3.658 384 HD2 HIS 53 HD2 HIS 53 9.068 22.890 -6.208 385 HE1 HIS 53 HE1 HIS 53 6.677 26.069 -4.705 386 H TYR 54 H TYR 54 11.987 25.538 -1.936 387 HA TYR 54 HA TYR 54 11.568 26.797 -0.170 388 HB2 TYR 54 HB2 TYR 54 9.608 27.359 -1.574 389 HB3 TYR 54 HB3 TYR 54 8.636 26.241 -0.622 390 HD1 TYR 54 HD1 TYR 54 10.813 29.280 -0.378 391 HD2 TYR 54 HD2 TYR 54 7.679 26.952 1.455 392 HE1 TYR 54 HE1 TYR 54 10.515 31.044 1.343 393 HE2 TYR 54 HE2 TYR 54 7.365 28.738 3.166 394 HH TYR 54 HH TYR 54 9.299 31.662 3.224 395 H ARG 55 H ARG 55 12.143 26.461 1.786 396 HA ARG 55 HA ARG 55 12.677 25.395 3.729 397 HB2 ARG 55 HB2 ARG 55 9.658 25.172 3.973 398 HB3 ARG 55 HB3 ARG 55 10.822 25.082 5.296 399 HG2 ARG 55 HG2 ARG 55 11.562 27.410 4.813 400 HG3 ARG 55 HG3 ARG 55 10.332 27.517 3.541 401 HD2 ARG 55 HD2 ARG 55 8.591 26.973 5.288 402 HD3 ARG 55 HD3 ARG 55 9.860 27.063 6.515 403 HE ARG 55 HE ARG 55 9.248 29.376 4.701 404 HH11 ARG 55 HH11 ARG 55 9.488 28.269 8.033 405 HH12 ARG 55 HH12 ARG 55 9.157 29.874 8.653 406 HH21 ARG 55 HH21 ARG 55 8.802 31.297 5.536 407 HH22 ARG 55 HH22 ARG 55 8.807 31.573 7.263 408 H SER 56 H SER 56 12.609 23.605 1.428 409 HA SER 56 HA SER 56 12.488 21.444 0.748 410 HB2 SER 56 HB2 SER 56 13.379 20.900 3.585 411 HB3 SER 56 HB3 SER 56 13.569 19.813 2.193 412 HG SER 56 HG SER 56 15.384 21.176 2.513 413 H GLN 57 H GLN 57 9.966 22.469 1.663 414 HA GLN 57 HA GLN 57 8.507 19.953 2.294 415 HB2 GLN 57 HB2 GLN 57 9.089 21.288 4.361 416 HB3 GLN 57 HB3 GLN 57 8.196 22.643 3.694 417 HG2 GLN 57 HG2 GLN 57 6.837 21.592 5.350 418 HG3 GLN 57 HG3 GLN 57 6.086 21.274 3.811 419 HE21 GLN 57 HE22 GLN 57 5.306 19.650 5.903 420 HE22 GLN 57 HE21 GLN 57 6.047 18.066 5.738 421 H CYS 58 H CYS 58 8.572 22.933 0.486 422 HA CYS 58 HA CYS 58 7.098 24.131 -0.706 423 HB2 CYS 58 HB2 CYS 58 5.430 21.575 -0.832 424 HB3 CYS 58 HB3 CYS 58 5.226 22.994 -1.863 425 HG CYS 58 HG CYS 58 7.963 22.865 -2.402 426 HA PRO 59 HA PRO 59 4.161 25.868 2.061 427 HB2 PRO 59 HB2 PRO 59 1.815 25.600 0.193 428 HB3 PRO 59 HB3 PRO 59 2.396 27.042 1.084 429 HG2 PRO 59 HG2 PRO 59 2.977 26.779 -1.534 430 HG3 PRO 59 HG3 PRO 59 4.280 27.272 -0.399 431 HD2 PRO 59 HD2 PRO 59 3.667 24.494 -1.455 432 HD3 PRO 59 HD3 PRO 59 5.234 25.358 -1.438 433 H HIS 60 H HIS 60 4.099 22.755 1.987 434 HA HIS 60 HA HIS 60 1.463 22.055 3.032 435 HB2 HIS 60 HB2 HIS 60 2.879 20.554 1.593 436 HB3 HIS 60 HB3 HIS 60 3.991 20.382 2.948 437 HD1 HIS 60 HD1 HIS 60 3.042 18.900 5.048 438 HD2 HIS 60 HD2 HIS 60 0.487 19.310 1.748 439 HE1 HIS 60 HE1 HIS 60 1.238 17.155 5.341 440 H LYS 61 H LYS 61 1.041 21.253 5.073 441 HA LYS 61 HA LYS 61 2.201 22.606 7.341 442 HB2 LYS 61 HB2 LYS 61 0.463 21.377 8.611 443 HB3 LYS 61 HB3 LYS 61 -0.154 22.229 7.206 444 HG2 LYS 61 HG2 LYS 61 -0.071 20.016 5.929 445 HG3 LYS 61 HG3 LYS 61 0.287 19.225 7.462 446 HD2 LYS 61 HD2 LYS 61 -2.183 20.955 6.954 447 HD3 LYS 61 HD3 LYS 61 -2.121 19.224 6.655 448 HE2 LYS 61 HE2 LYS 61 -1.408 18.964 9.112 449 HE3 LYS 61 HE3 LYS 61 -1.877 20.650 9.334 450 HZ1 LYS 61 HZ1 LYS 61 -3.698 19.089 9.851 451 HZ2 LYS 61 HZ2 LYS 61 -4.131 20.013 8.567 452 HZ3 LYS 61 HZ3 LYS 61 -3.617 18.478 8.352 453 H TRP 62 H TRP 62 2.611 21.373 9.397 454 HA TRP 62 HA TRP 62 4.691 19.264 8.948 455 HB2 TRP 62 HB2 TRP 62 4.720 21.636 10.839 456 HB3 TRP 62 HB3 TRP 62 5.909 20.350 10.838 457 HD1 TRP 62 HD1 TRP 62 4.863 23.415 8.867 458 HE1 TRP 62 HE1 TRP 62 6.764 24.133 7.322 459 HE3 TRP 62 HE3 TRP 62 7.947 19.371 9.447 460 HZ2 TRP 62 HZ2 TRP 62 9.330 23.128 6.479 461 HZ3 TRP 62 HZ3 TRP 62 10.120 19.286 8.251 462 HH2 TRP 62 HH2 TRP 62 10.818 21.152 6.772 463 H LYS 63 H LYS 63 5.306 18.122 10.978 464 HA LYS 63 HA LYS 63 2.902 17.072 12.319 465 HB2 LYS 63 HB2 LYS 63 4.257 15.203 12.966 466 HB3 LYS 63 HB3 LYS 63 4.469 15.518 11.249 467 HG2 LYS 63 HG2 LYS 63 6.623 16.687 11.733 468 HG3 LYS 63 HG3 LYS 63 6.430 16.330 13.450 469 HD2 LYS 63 HD2 LYS 63 6.661 14.240 11.245 470 HD3 LYS 63 HD3 LYS 63 7.987 14.803 12.267 471 HE2 LYS 63 HE2 LYS 63 6.757 14.013 14.284 472 HE3 LYS 63 HE3 LYS 63 5.478 13.385 13.250 473 HZ1 LYS 63 HZ1 LYS 63 7.126 11.906 12.228 474 HZ2 LYS 63 HZ2 LYS 63 8.307 12.491 13.194 475 HZ3 LYS 63 HZ3 LYS 63 7.068 11.655 13.837 476 H LYS 64 H LYS 64 2.936 16.463 14.530 477 HA LYS 64 HA LYS 64 4.610 17.860 16.481 478 HB2 LYS 64 HB2 LYS 64 2.732 19.461 15.935 479 HB3 LYS 64 HB3 LYS 64 1.577 18.228 16.390 480 HG2 LYS 64 HG2 LYS 64 1.804 19.869 18.148 481 HG3 LYS 64 HG3 LYS 64 2.336 18.305 18.724 482 HD2 LYS 64 HD2 LYS 64 3.793 20.050 19.561 483 HD3 LYS 64 HD3 LYS 64 4.722 19.030 18.461 484 HE2 LYS 64 HE2 LYS 64 4.464 20.698 16.663 485 HE3 LYS 64 HE3 LYS 64 3.424 21.676 17.689 486 HZ1 LYS 64 HZ1 LYS 64 5.687 22.517 17.692 487 HZ2 LYS 64 HZ2 LYS 64 5.309 22.008 19.188 488 HZ3 LYS 64 HZ3 LYS 64 6.283 21.103 18.238 489 H VAL 65 H VAL 65 4.438 16.929 18.546 490 HA VAL 65 HA VAL 65 4.557 15.292 20.011 491 HB VAL 65 HB VAL 65 2.294 16.036 20.341 492 HG11 VAL 65 HG11 VAL 65 1.523 13.778 18.499 493 HG12 VAL 65 HG12 VAL 65 0.404 14.389 19.750 494 HG13 VAL 65 HG13 VAL 65 0.990 15.469 18.492 495 HG21 VAL 65 HG21 VAL 65 2.451 13.083 21.012 496 HG22 VAL 65 HG22 VAL 65 3.366 14.363 21.857 497 HG23 VAL 65 HG23 VAL 65 1.609 14.382 21.869 498 H GLN 66 H GLN 66 4.791 13.083 20.646 499 HA GLN 66 HA GLN 66 5.979 11.516 18.563 500 HB2 GLN 66 HB2 GLN 66 6.605 9.978 20.281 501 HB3 GLN 66 HB3 GLN 66 6.866 11.620 20.842 502 HG2 GLN 66 HG2 GLN 66 4.804 11.509 22.206 503 HG3 GLN 66 HG3 GLN 66 4.480 9.875 21.624 504 HE21 GLN 66 HE22 GLN 66 5.620 11.464 24.298 505 HE22 GLN 66 HE21 GLN 66 6.671 10.187 24.895 506 H CYS 67 H CYS 67 2.731 11.754 19.177 507 HA CYS 67 HA CYS 67 2.113 9.219 17.771 508 HB2 CYS 67 HB2 CYS 67 0.955 10.073 20.452 509 HB3 CYS 67 HB3 CYS 67 0.181 8.881 19.409 510 HG CYS 67 HG CYS 67 3.323 8.426 19.918 511 H THR 68 H THR 68 0.700 9.660 16.171 512 HA THR 68 HA THR 68 -0.943 11.928 15.794 513 HB THR 68 HB THR 68 -0.495 10.255 14.084 514 HG1 THR 68 HG1 THR 68 -2.355 11.336 13.743 515 HG21 THR 68 HG21 THR 68 -2.498 8.383 15.358 516 HG22 THR 68 HG22 THR 68 -1.409 8.086 13.995 517 HG23 THR 68 HG23 THR 68 -0.746 8.178 15.638 518 H LEU 69 H LEU 69 -1.553 9.036 17.766 519 HA LEU 69 HA LEU 69 -4.265 9.573 18.474 520 HB2 LEU 69 HB2 LEU 69 -2.034 7.819 19.480 521 HB3 LEU 69 HB3 LEU 69 -3.364 8.122 20.572 522 HG LEU 69 HG LEU 69 -4.994 7.236 18.990 523 HD11 LEU 69 HD11 LEU 69 -4.010 7.683 16.833 524 HD12 LEU 69 HD12 LEU 69 -2.586 6.670 17.214 525 HD13 LEU 69 HD13 LEU 69 -4.184 5.933 17.002 526 HD21 LEU 69 HD21 LEU 69 -4.291 4.879 19.141 527 HD22 LEU 69 HD22 LEU 69 -2.619 5.385 19.463 528 HD23 LEU 69 HD23 LEU 69 -3.909 5.750 20.632 529 H CYS 70 H CYS 70 -1.426 11.243 19.594 530 HA CYS 70 HA CYS 70 -2.605 11.901 22.210 531 HB2 CYS 70 HB2 CYS 70 0.109 12.357 20.951 532 HB3 CYS 70 HB3 CYS 70 -0.380 13.150 22.460 533 HG CYS 70 HG CYS 70 -1.127 10.967 23.690 534 H LYS 71 H LYS 71 -3.271 13.110 19.316 535 HA LYS 71 HA LYS 71 -3.524 15.921 19.624 536 HB2 LYS 71 HB2 LYS 71 -4.075 14.722 17.580 537 HB3 LYS 71 HB3 LYS 71 -5.289 13.759 18.409 538 HG2 LYS 71 HG2 LYS 71 -6.297 15.471 16.991 539 HG3 LYS 71 HG3 LYS 71 -6.748 15.671 18.681 540 HD2 LYS 71 HD2 LYS 71 -5.044 17.492 18.911 541 HD3 LYS 71 HD3 LYS 71 -4.635 17.294 17.190 542 HE2 LYS 71 HE2 LYS 71 -6.935 17.877 16.562 543 HE3 LYS 71 HE3 LYS 71 -7.415 17.914 18.255 544 HZ1 LYS 71 HZ1 LYS 71 -5.448 19.770 17.041 545 HZ2 LYS 71 HZ2 LYS 71 -6.994 20.143 17.411 546 HZ3 LYS 71 HZ3 LYS 71 -5.940 19.789 18.602 547 H SER 72 H SER 72 -4.193 16.892 21.415 548 HA SER 72 HA SER 72 -5.322 17.497 23.275 549 HB2 SER 72 HB2 SER 72 -7.727 16.510 21.738 550 HB3 SER 72 HB3 SER 72 -7.689 17.760 22.995 551 HG SER 72 HG SER 72 -7.530 18.683 20.949 552 H LYS 73 H LYS 73 -4.432 14.643 23.375 553 HA LYS 73 HA LYS 73 -5.818 13.860 25.847 554 HB2 LYS 73 HB2 LYS 73 -7.141 12.855 23.951 555 HB3 LYS 73 HB3 LYS 73 -5.695 11.990 23.435 556 HG2 LYS 73 HG2 LYS 73 -5.648 10.771 25.595 557 HG3 LYS 73 HG3 LYS 73 -7.050 11.710 26.154 558 HD2 LYS 73 HD2 LYS 73 -8.409 10.740 24.289 559 HD3 LYS 73 HD3 LYS 73 -6.992 9.845 23.743 560 HE2 LYS 73 HE2 LYS 73 -8.312 8.306 24.964 561 HE3 LYS 73 HE3 LYS 73 -6.914 8.676 25.961 562 HZ1 LYS 73 HZ1 LYS 73 -9.609 9.878 26.303 563 HZ2 LYS 73 HZ2 LYS 73 -8.997 8.690 27.227 564 HZ3 LYS 73 HZ3 LYS 73 -8.323 10.170 27.272 565 H LYS 74 H LYS 74 -4.510 12.654 27.204 566 HA LYS 74 HA LYS 74 -1.808 11.843 26.213 567 HB2 LYS 74 HB2 LYS 74 -1.860 14.050 27.456 568 HB3 LYS 74 HB3 LYS 74 -2.307 13.150 28.906 569 HG2 LYS 74 HG2 LYS 74 -0.214 11.794 28.675 570 HG3 LYS 74 HG3 LYS 74 0.213 12.717 27.233 571 HD2 LYS 74 HD2 LYS 74 -0.028 13.747 30.084 572 HD3 LYS 74 HD3 LYS 74 1.461 13.504 29.186 573 HE2 LYS 74 HE2 LYS 74 -0.696 15.570 28.588 574 HE3 LYS 74 HE3 LYS 74 0.856 15.873 29.344 575 HZ1 LYS 74 HZ1 LYS 74 0.948 16.427 27.016 576 HZ2 LYS 74 HZ2 LYS 74 1.939 15.169 27.278 577 HZ3 LYS 74 HZ3 LYS 74 0.488 14.933 26.554 578 H HIS 75 H HIS 75 -1.118 9.924 26.739 579 HA HIS 75 HA HIS 75 -2.267 8.397 29.021 580 HB2 HIS 75 HB2 HIS 75 -2.531 6.411 27.626 581 HB3 HIS 75 HB3 HIS 75 -3.549 7.729 27.094 582 HD1 HIS 75 HD1 HIS 75 -3.732 6.485 24.711 583 HD2 HIS 75 HD2 HIS 75 0.120 7.763 25.805 584 HE1 HIS 75 HE1 HIS 75 -2.282 6.291 22.632 585 H SER 76 H SER 76 0.395 9.753 28.288 586 HA SER 76 HA SER 76 2.080 7.985 27.103 587 HB2 SER 76 HB2 SER 76 2.843 10.329 28.872 588 HB3 SER 76 HB3 SER 76 3.828 9.615 27.576 589 HG SER 76 HG SER 76 2.586 11.324 26.767 590 H LYS 77 H LYS 77 1.734 8.347 30.605 591 HA LYS 77 HA LYS 77 4.054 6.838 31.359 592 HB2 LYS 77 HB2 LYS 77 2.667 8.450 32.750 593 HB3 LYS 77 HB3 LYS 77 1.461 7.171 32.920 594 HG2 LYS 77 HG2 LYS 77 3.125 5.739 34.054 595 HG3 LYS 77 HG3 LYS 77 4.385 6.957 33.765 596 HD2 LYS 77 HD2 LYS 77 3.151 8.579 35.171 597 HD3 LYS 77 HD3 LYS 77 1.878 7.372 35.451 598 HE2 LYS 77 HE2 LYS 77 3.546 5.862 36.490 599 HE3 LYS 77 HE3 LYS 77 4.812 7.050 36.203 600 HZ1 LYS 77 HZ1 LYS 77 3.631 8.577 37.683 601 HZ2 LYS 77 HZ2 LYS 77 2.447 7.479 37.944 602 HZ3 LYS 77 HZ3 LYS 77 3.963 7.190 38.467 603 H GLU 78 H GLU 78 0.957 5.783 30.182 604 HA GLU 78 HA GLU 78 1.435 2.964 31.019 605 HB2 GLU 78 HB2 GLU 78 -1.004 4.325 29.817 606 HB3 GLU 78 HB3 GLU 78 -0.894 2.621 30.261 607 HG2 GLU 78 HG2 GLU 78 -0.423 3.287 32.622 608 HG3 GLU 78 HG3 GLU 78 -0.660 4.970 32.180 609 H ARG 79 H ARG 79 1.783 4.937 28.201 610 HA ARG 79 HA ARG 79 1.871 2.524 26.399 611 HB2 ARG 79 HB2 ARG 79 0.590 5.249 25.973 612 HB3 ARG 79 HB3 ARG 79 0.823 4.082 24.685 613 HG2 ARG 79 HG2 ARG 79 -0.962 3.741 27.122 614 HG3 ARG 79 HG3 ARG 79 -1.464 4.017 25.460 615 HD2 ARG 79 HD2 ARG 79 -0.189 1.517 26.615 616 HD3 ARG 79 HD3 ARG 79 -1.809 1.703 25.971 617 HE ARG 79 HE ARG 79 -0.784 2.086 23.714 618 HH11 ARG 79 HH11 ARG 79 1.043 0.196 26.051 619 HH12 ARG 79 HH12 ARG 79 2.021 -0.552 24.808 620 HH21 ARG 79 HH21 ARG 79 0.496 1.099 22.195 621 HH22 ARG 79 HH22 ARG 79 1.720 -0.042 22.686 622 H CYS 80 H CYS 80 3.319 5.771 26.892 623 HA CYS 80 HA CYS 80 4.597 5.606 24.269 624 HB2 CYS 80 HB2 CYS 80 4.675 7.708 26.442 625 HB3 CYS 80 HB3 CYS 80 5.530 7.834 24.901 626 HG CYS 80 HG CYS 80 3.227 9.208 24.898 627 HA PRO 81 HA PRO 81 8.401 3.740 25.738 628 HB2 PRO 81 HB2 PRO 81 9.600 5.159 23.366 629 HB3 PRO 81 HB3 PRO 81 9.804 3.458 23.883 630 HG2 PRO 81 HG2 PRO 81 8.149 4.067 21.832 631 HG3 PRO 81 HG3 PRO 81 7.627 2.884 23.076 632 HD2 PRO 81 HD2 PRO 81 6.906 5.819 22.861 633 HD3 PRO 81 HD3 PRO 81 5.858 4.404 23.178 634 H SER 82 H SER 82 8.286 7.190 24.908 635 HA SER 82 HA SER 82 10.353 7.802 26.993 636 HB2 SER 82 HB2 SER 82 9.631 9.388 24.513 637 HB3 SER 82 HB3 SER 82 10.573 10.039 25.870 638 HG SER 82 HG SER 82 11.256 7.872 24.248 639 H ILE 83 H ILE 83 9.757 8.910 28.679 640 HA ILE 83 HA ILE 83 6.960 9.544 29.099 641 HB ILE 83 HB ILE 83 8.470 8.370 30.713 642 HG12 ILE 83 HG12 ILE 83 7.640 9.308 32.761 643 HG13 ILE 83 HG13 ILE 83 7.186 10.813 31.983 644 HG21 ILE 83 HG21 ILE 83 9.986 9.604 32.147 645 HG22 ILE 83 HG22 ILE 83 10.482 9.812 30.464 646 HG23 ILE 83 HG23 ILE 83 9.627 11.120 31.307 647 HD11 ILE 83 HD11 ILE 83 5.441 9.634 30.679 648 HD12 ILE 83 HD12 ILE 83 6.021 8.071 31.308 649 HD13 ILE 83 HD13 ILE 83 5.270 9.253 32.398 650 H TRP 84 H TRP 84 6.329 11.600 30.277 651 HA TRP 84 HA TRP 84 6.786 13.763 28.463 652 HB2 TRP 84 HB2 TRP 84 4.650 13.135 29.683 653 HB3 TRP 84 HB3 TRP 84 5.331 13.908 31.109 654 HD1 TRP 84 HD1 TRP 84 4.819 16.416 31.307 655 HE1 TRP 84 HE1 TRP 84 3.989 18.283 29.775 656 HE3 TRP 84 HE3 TRP 84 4.644 13.829 26.900 657 HZ2 TRP 84 HZ2 TRP 84 3.350 18.638 26.993 658 HZ3 TRP 84 HZ3 TRP 84 3.900 14.963 24.821 659 HH2 TRP 84 HH2 TRP 84 3.263 17.358 24.852 660 H ARG 85 H ARG 85 7.079 16.015 29.216 661 HA ARG 85 HA ARG 85 9.868 16.266 29.943 662 HB2 ARG 85 HB2 ARG 85 7.719 18.250 29.105 663 HB3 ARG 85 HB3 ARG 85 9.410 18.685 29.318 664 HG2 ARG 85 HG2 ARG 85 10.131 17.315 27.497 665 HG3 ARG 85 HG3 ARG 85 8.575 16.487 27.392 666 HD2 ARG 85 HD2 ARG 85 8.773 18.085 25.584 667 HD3 ARG 85 HD3 ARG 85 7.459 18.522 26.679 668 HE ARG 85 HE ARG 85 9.939 19.888 27.351 669 HH11 ARG 85 HH11 ARG 85 7.236 20.064 25.114 670 HH12 ARG 85 HH12 ARG 85 7.388 21.798 24.920 671 HH21 ARG 85 HH21 ARG 85 10.090 22.092 27.045 672 HH22 ARG 85 HH22 ARG 85 8.977 22.907 25.976 673 H ALA 86 H ALA 86 7.154 16.420 31.983 674 HA ALA 86 HA ALA 86 8.548 18.277 33.874 675 HB1 ALA 86 HB1 ALA 86 5.598 18.285 33.153 676 HB2 ALA 86 HB2 ALA 86 6.401 19.345 34.330 677 HB3 ALA 86 HB3 ALA 86 6.811 19.468 32.613 678 H TYR 87 H TYR 87 8.119 18.151 36.025 679 HA TYR 87 HA TYR 87 6.777 15.805 37.225 680 HB2 TYR 87 HB2 TYR 87 8.929 15.452 38.579 681 HB3 TYR 87 HB3 TYR 87 8.915 14.882 36.926 682 HD1 TYR 87 HD1 TYR 87 10.176 17.597 39.164 683 HD2 TYR 87 HD2 TYR 87 10.412 15.766 35.265 684 HE1 TYR 87 HE1 TYR 87 12.199 18.952 38.639 685 HE2 TYR 87 HE2 TYR 87 12.425 17.124 34.745 686 HH TYR 87 HH TYR 87 13.901 18.734 35.578 687 H ILE 88 H ILE 88 6.599 15.997 39.571 688 HA ILE 88 HA ILE 88 6.522 18.833 40.510 689 HB ILE 88 HB ILE 88 4.372 17.745 39.804 690 HG12 ILE 88 HG12 ILE 88 4.339 18.719 42.680 691 HG13 ILE 88 HG13 ILE 88 4.590 19.769 41.283 692 HG21 ILE 88 HG21 ILE 88 4.580 16.216 42.429 693 HG22 ILE 88 HG22 ILE 88 3.246 16.177 41.264 694 HG23 ILE 88 HG23 ILE 88 4.808 15.490 40.823 695 HD11 ILE 88 HD11 ILE 88 2.273 19.861 41.961 696 HD12 ILE 88 HD12 ILE 88 2.381 19.082 40.373 697 HD13 ILE 88 HD13 ILE 88 2.102 18.103 41.836 698 H LEU 89 H LEU 89 8.228 16.080 41.167 699 HA LEU 89 HA LEU 89 8.062 16.033 44.059 700 HB2 LEU 89 HB2 LEU 89 9.895 14.810 41.998 701 HB3 LEU 89 HB3 LEU 89 10.411 14.848 43.664 702 HG LEU 89 HG LEU 89 9.395 12.715 43.028 703 HD11 LEU 89 HD11 LEU 89 9.386 13.458 45.386 704 HD12 LEU 89 HD12 LEU 89 7.762 14.151 45.163 705 HD13 LEU 89 HD13 LEU 89 8.021 12.406 44.997 706 HD21 LEU 89 HD21 LEU 89 7.636 13.540 41.482 707 HD22 LEU 89 HD22 LEU 89 7.014 12.435 42.720 708 HD23 LEU 89 HD23 LEU 89 6.732 14.179 42.879 709 H VAL 90 H VAL 90 9.222 16.985 45.591 710 HA VAL 90 HA VAL 90 11.278 19.027 44.906 711 HB VAL 90 HB VAL 90 8.925 19.913 44.794 712 HG11 VAL 90 HG11 VAL 90 8.951 19.682 47.824 713 HG12 VAL 90 HG12 VAL 90 7.727 20.477 46.818 714 HG13 VAL 90 HG13 VAL 90 7.939 18.727 46.715 715 HG21 VAL 90 HG21 VAL 90 9.381 22.027 45.780 716 HG22 VAL 90 HG22 VAL 90 10.642 21.359 46.828 717 HG23 VAL 90 HG23 VAL 90 10.869 21.396 45.062 718 H ASP 91 H ASP 91 10.951 16.382 46.636 719 HA ASP 91 HA ASP 91 11.596 17.313 49.323 720 HB2 ASP 91 HB2 ASP 91 10.086 15.403 48.824 721 HB3 ASP 91 HB3 ASP 91 11.468 14.494 48.227 722 H ASP 92 H ASP 92 13.527 18.302 47.712 723 HA ASP 92 HA ASP 92 15.946 16.649 47.706 724 HB2 ASP 92 HB2 ASP 92 15.459 19.546 46.947 725 HB3 ASP 92 HB3 ASP 92 16.999 18.715 46.790 726 H ASN 93 H ASN 93 17.790 16.937 48.904 727 HA ASN 93 HA ASN 93 17.444 18.356 51.512 728 HB2 ASN 93 HB2 ASN 93 18.811 15.717 50.872 729 HB3 ASN 93 HB3 ASN 93 18.750 16.470 52.463 730 HD21 ASN 93 HD22 ASN 93 17.309 14.065 50.726 731 HD22 ASN 93 HD21 ASN 93 15.720 14.115 51.484 732 H GLU 94 H GLU 94 19.086 19.010 48.835 733 HA GLU 94 HA GLU 94 21.371 20.175 50.316 734 HB2 GLU 94 HB2 GLU 94 22.131 18.043 49.261 735 HB3 GLU 94 HB3 GLU 94 21.642 18.665 47.690 736 HG2 GLU 94 HG2 GLU 94 24.042 18.854 47.984 737 HG3 GLU 94 HG3 GLU 94 23.336 20.447 47.842 738 H LYS 95 H LYS 95 22.224 22.059 49.425 739 HA LYS 95 HA LYS 95 20.583 23.532 47.419 740 HB2 LYS 95 HB2 LYS 95 21.316 24.491 50.217 741 HB3 LYS 95 HB3 LYS 95 20.574 25.479 48.961 742 HG2 LYS 95 HG2 LYS 95 18.573 24.021 48.967 743 HG3 LYS 95 HG3 LYS 95 19.317 22.983 50.188 744 HD2 LYS 95 HD2 LYS 95 17.732 24.413 51.268 745 HD3 LYS 95 HD3 LYS 95 19.361 24.854 51.796 746 HE2 LYS 95 HE2 LYS 95 19.350 26.775 50.230 747 HE3 LYS 95 HE3 LYS 95 17.754 26.307 49.653 748 HZ1 LYS 95 HZ1 LYS 95 18.378 27.137 52.434 749 HZ2 LYS 95 HZ2 LYS 95 17.614 28.055 51.325 750 HZ3 LYS 95 HZ3 LYS 95 16.895 26.709 51.894 751 H ALA 96 H ALA 96 21.586 25.079 46.272 752 HA ALA 96 HA ALA 96 24.537 25.396 46.508 753 HB1 ALA 96 HB1 ALA 96 24.382 26.382 44.270 754 HB2 ALA 96 HB2 ALA 96 23.636 24.776 44.309 755 HB3 ALA 96 HB3 ALA 96 22.612 26.229 44.308 756 H LYS 97 H LYS 97 25.436 27.573 46.333 757 HA LYS 97 HA LYS 97 23.733 29.771 47.419 758 HB2 LYS 97 HB2 LYS 97 24.985 28.454 49.194 759 HB3 LYS 97 HB3 LYS 97 26.481 29.089 48.518 760 HG2 LYS 97 HG2 LYS 97 25.658 31.417 48.981 761 HG3 LYS 97 HG3 LYS 97 24.153 30.731 49.625 762 HD2 LYS 97 HD2 LYS 97 25.442 29.510 51.353 763 HD3 LYS 97 HD3 LYS 97 26.947 30.204 50.748 764 HE2 LYS 97 HE2 LYS 97 24.586 31.805 51.826 765 HE3 LYS 97 HE3 LYS 97 25.979 31.326 52.784 766 HZ1 LYS 97 HZ1 LYS 97 27.390 32.619 51.285 767 HZ2 LYS 97 HZ2 LYS 97 26.095 33.095 50.406 768 HZ3 LYS 97 HZ3 LYS 97 26.251 33.568 51.957 769 HA PRO 98 HA PRO 98 26.487 31.222 43.917 770 HB2 PRO 98 HB2 PRO 98 24.633 31.950 42.067 771 HB3 PRO 98 HB3 PRO 98 25.195 30.263 42.254 772 HG2 PRO 98 HG2 PRO 98 22.693 31.523 43.426 773 HG3 PRO 98 HG3 PRO 98 22.831 29.988 42.509 774 HD2 PRO 98 HD2 PRO 98 22.806 30.045 45.237 775 HD3 PRO 98 HD3 PRO 98 23.806 28.875 44.327 776 H LYS 99 H LYS 99 27.062 33.329 43.627 777 HA LYS 99 HA LYS 99 25.253 35.578 44.043 778 HB2 LYS 99 HB2 LYS 99 26.113 34.958 46.353 779 HB3 LYS 99 HB3 LYS 99 27.738 35.368 45.804 780 HG2 LYS 99 HG2 LYS 99 27.054 37.700 45.428 781 HG3 LYS 99 HG3 LYS 99 25.361 37.282 45.763 782 HD2 LYS 99 HD2 LYS 99 25.993 36.658 48.089 783 HD3 LYS 99 HD3 LYS 99 27.670 37.136 47.750 784 HE2 LYS 99 HE2 LYS 99 26.908 39.434 47.237 785 HE3 LYS 99 HE3 LYS 99 25.240 38.959 47.526 786 HZ1 LYS 99 HZ1 LYS 99 27.381 38.931 49.579 787 HZ2 LYS 99 HZ2 LYS 99 26.188 40.037 49.472 788 HZ3 LYS 99 HZ3 LYS 99 25.827 38.493 49.838 789 H VAL 100 H VAL 100 26.037 37.522 43.156 790 HA VAL 100 HA VAL 100 28.613 37.450 41.645 791 HB VAL 100 HB VAL 100 25.971 38.437 40.505 792 HG11 VAL 100 HG11 VAL 100 27.250 38.670 38.396 793 HG12 VAL 100 HG12 VAL 100 27.895 39.731 39.643 794 HG13 VAL 100 HG13 VAL 100 28.742 38.217 39.243 795 HG21 VAL 100 HG21 VAL 100 25.982 35.985 40.500 796 HG22 VAL 100 HG22 VAL 100 26.240 36.583 38.862 797 HG23 VAL 100 HG23 VAL 100 27.617 35.970 39.800 798 H LEU 101 H LEU 101 29.770 39.276 41.736 799 HA LEU 101 HA LEU 101 28.599 41.818 42.788 800 HB2 LEU 101 HB2 LEU 101 31.142 40.426 43.686 801 HB3 LEU 101 HB3 LEU 101 30.739 42.092 44.072 802 HG LEU 101 HG LEU 101 29.076 39.676 44.924 803 HD11 LEU 101 HD11 LEU 101 31.287 39.716 46.005 804 HD12 LEU 101 HD12 LEU 101 31.020 41.398 46.513 805 HD13 LEU 101 HD13 LEU 101 30.000 40.093 47.160 806 HD21 LEU 101 HD21 LEU 101 28.034 41.315 46.503 807 HD22 LEU 101 HD22 LEU 101 28.936 42.623 45.711 808 HD23 LEU 101 HD23 LEU 101 27.699 41.714 44.813 809 HA PRO 102 HA PRO 102 30.644 42.475 38.768 810 HB2 PRO 102 HB2 PRO 102 28.962 44.968 38.838 811 HB3 PRO 102 HB3 PRO 102 29.238 43.828 37.488 812 HG2 PRO 102 HG2 PRO 102 26.931 43.729 38.899 813 HG3 PRO 102 HG3 PRO 102 27.777 42.204 38.475 814 HD2 PRO 102 HD2 PRO 102 27.869 43.733 41.093 815 HD3 PRO 102 HD3 PRO 102 27.607 41.988 40.813 816 H PHE 103 H PHE 103 32.444 43.576 38.152 817 HA PHE 103 HA PHE 103 33.125 46.230 39.106 818 HB2 PHE 103 HB2 PHE 103 33.913 44.620 40.936 819 HB3 PHE 103 HB3 PHE 103 35.033 43.953 39.762 820 HD1 PHE 103 HD2 PHE 103 33.936 47.329 41.058 821 HD2 PHE 103 HD1 PHE 103 37.236 44.802 39.917 822 HE1 PHE 103 HE2 PHE 103 35.529 49.113 41.708 823 HE2 PHE 103 HE1 PHE 103 38.826 46.587 40.599 824 HZ PHE 103 HZ PHE 103 37.975 48.742 41.482 825 H HIS 104 H HIS 104 35.150 47.053 38.014 826 HA HIS 104 HA HIS 104 35.875 45.706 35.490 827 HB2 HIS 104 HB2 HIS 104 35.019 47.508 34.097 828 HB3 HIS 104 HB3 HIS 104 33.715 46.780 35.011 829 HD1 HIS 104 HD1 HIS 104 35.781 50.012 34.922 830 HD2 HIS 104 HD2 HIS 104 32.352 48.375 36.690 831 HE1 HIS 104 HE1 HIS 104 34.580 51.945 36.038 832 H THR 105 H THR 105 37.260 47.190 34.105 833 HA THR 105 HA THR 105 39.277 48.129 33.761 834 HB THR 105 HB THR 105 38.626 50.103 35.952 835 HG1 THR 105 HG1 THR 105 37.590 51.094 34.088 836 HG21 THR 105 HG21 THR 105 39.719 51.691 34.409 837 HG22 THR 105 HG22 THR 105 40.845 50.397 34.814 838 HG23 THR 105 HG23 THR 105 40.023 50.387 33.240 839 H ILE 106 H ILE 106 39.924 46.001 34.714 840 HA ILE 106 HA ILE 106 41.843 46.383 36.966 841 HB ILE 106 HB ILE 106 41.359 43.981 37.571 842 HG12 ILE 106 HG12 ILE 106 39.148 43.074 37.072 843 HG13 ILE 106 HG13 ILE 106 38.808 44.374 35.941 844 HG21 ILE 106 HG21 ILE 106 39.087 45.968 37.887 845 HG22 ILE 106 HG22 ILE 106 39.470 44.584 38.935 846 HG23 ILE 106 HG23 ILE 106 40.589 45.947 38.834 847 HD11 ILE 106 HD11 ILE 106 41.029 42.308 35.617 848 HD12 ILE 106 HD12 ILE 106 39.439 42.238 34.839 849 HD13 ILE 106 HD13 ILE 106 40.560 43.544 34.419 850 H TYR 107 H TYR 107 42.263 46.383 33.908 851 HA TYR 107 HA TYR 107 44.804 44.936 34.164 852 HB2 TYR 107 HB2 TYR 107 44.653 43.631 32.235 853 HB3 TYR 107 HB3 TYR 107 43.181 43.310 33.119 854 HD1 TYR 107 HD1 TYR 107 40.982 44.230 32.266 855 HD2 TYR 107 HD2 TYR 107 44.665 44.650 30.057 856 HE1 TYR 107 HE1 TYR 107 39.691 44.783 30.213 857 HE2 TYR 107 HE2 TYR 107 43.366 45.211 28.008 858 HH TYR 107 HH TYR 107 39.862 45.340 27.945 859 H CYS 108 H CYS 108 46.407 45.495 32.676 860 HA CYS 108 HA CYS 108 46.070 47.506 30.631 861 HB2 CYS 108 HB2 CYS 108 46.201 48.871 32.764 862 HB3 CYS 108 HB3 CYS 108 47.798 48.178 33.062 863 HG CYS 108 HG CYS 108 46.697 50.001 30.526 864 H TYR 109 H TYR 109 48.097 47.684 29.335 865 HA TYR 109 HA TYR 109 50.389 46.082 30.130 866 HB2 TYR 109 HB2 TYR 109 50.412 44.436 28.439 867 HB3 TYR 109 HB3 TYR 109 48.872 44.317 29.245 868 HD1 TYR 109 HD1 TYR 109 46.786 45.297 28.083 869 HD2 TYR 109 HD2 TYR 109 50.579 44.751 26.106 870 HE1 TYR 109 HE1 TYR 109 45.649 45.397 25.874 871 HE2 TYR 109 HE2 TYR 109 49.435 44.832 23.895 872 HH TYR 109 HH TYR 109 45.969 45.283 23.560 873 H ASN 110 H ASN 110 49.056 48.467 27.935 874 HA ASN 110 HA ASN 110 51.143 48.451 26.023 875 HB2 ASN 110 HB2 ASN 110 49.137 50.588 26.830 876 HB3 ASN 110 HB3 ASN 110 50.286 50.809 25.521 877 HD21 ASN 110 HD22 ASN 110 47.980 51.079 24.430 878 HD22 ASN 110 HD21 ASN 110 47.369 49.606 23.706 879 H CYS 111 H CYS 111 51.333 49.756 29.225 880 HA CYS 111 HA CYS 111 53.933 51.059 28.572 881 HB2 CYS 111 HB2 CYS 111 53.259 52.934 30.076 882 HB3 CYS 111 HB3 CYS 111 52.322 52.796 28.589 883 HG CYS 111 HG CYS 111 50.664 53.487 30.422 884 H GLY 112 H GLY 112 53.544 48.435 29.686 885 HA2 GLY 112 HA2 GLY 112 55.055 47.210 30.885 886 HA3 GLY 112 HA3 GLY 112 55.782 48.707 31.457 887 H GLY 113 H GLY 113 52.427 48.309 32.262 888 HA2 GLY 113 HA2 GLY 113 52.853 46.822 34.749 889 HA3 GLY 113 HA3 GLY 113 52.447 48.525 34.975 890 H LYS 114 H LYS 114 50.946 46.140 35.706 891 HA LYS 114 HA LYS 114 48.608 46.101 33.858 892 HB2 LYS 114 HB2 LYS 114 49.910 44.069 34.125 893 HB3 LYS 114 HB3 LYS 114 49.682 44.094 35.872 894 HG2 LYS 114 HG2 LYS 114 47.282 43.709 35.615 895 HG3 LYS 114 HG3 LYS 114 47.419 43.838 33.847 896 HD2 LYS 114 HD2 LYS 114 48.903 41.842 33.831 897 HD3 LYS 114 HD3 LYS 114 48.765 41.729 35.597 898 HE2 LYS 114 HE2 LYS 114 46.293 41.482 35.358 899 HE3 LYS 114 HE3 LYS 114 46.468 41.532 33.607 900 HZ1 LYS 114 HZ1 LYS 114 47.663 39.466 35.372 901 HZ2 LYS 114 HZ2 LYS 114 46.352 39.251 34.428 902 HZ3 LYS 114 HZ3 LYS 114 47.810 39.505 33.745 903 H GLY 115 H GLY 115 49.319 46.561 37.293 904 HA2 GLY 115 HA2 GLY 115 46.424 46.653 37.954 905 HA3 GLY 115 HA3 GLY 115 47.763 46.451 39.074 906 H HIS 116 H HIS 116 48.224 49.083 36.866 907 HA HIS 116 HA HIS 116 47.908 50.887 39.204 908 HB2 HIS 116 HB2 HIS 116 49.664 52.160 38.462 909 HB3 HIS 116 HB3 HIS 116 50.154 50.488 38.337 910 HD1 HIS 116 HD1 HIS 116 50.869 53.412 36.585 911 HD2 HIS 116 HD2 HIS 116 49.469 49.618 35.430 912 HE1 HIS 116 HE1 HIS 116 51.473 53.138 34.139 913 H PHE 117 H PHE 117 48.311 53.084 36.980 914 HA PHE 117 HA PHE 117 45.693 54.190 37.431 915 HB2 PHE 117 HB2 PHE 117 48.276 55.096 36.163 916 HB3 PHE 117 HB3 PHE 117 46.837 56.077 36.020 917 HD1 PHE 117 HD2 PHE 117 47.770 54.202 39.198 918 HD2 PHE 117 HD1 PHE 117 47.574 57.980 37.103 919 HE1 PHE 117 HE2 PHE 117 48.303 55.402 41.280 920 HE2 PHE 117 HE1 PHE 117 48.111 59.162 39.208 921 HZ PHE 117 HZ PHE 117 48.479 57.877 41.300 922 H GLY 118 H GLY 118 45.434 51.890 35.858 923 HA2 GLY 118 HA2 GLY 118 45.388 51.966 33.096 924 HA3 GLY 118 HA3 GLY 118 44.329 50.992 34.114 925 H ASP 119 H ASP 119 43.120 53.584 35.195 926 HA ASP 119 HA ASP 119 40.864 53.965 33.480 927 HB2 ASP 119 HB2 ASP 119 42.108 55.714 35.645 928 HB3 ASP 119 HB3 ASP 119 40.536 55.999 34.923 929 H ASP 120 H ASP 120 43.926 55.755 33.796 930 HA ASP 120 HA ASP 120 43.138 57.655 31.626 931 HB2 ASP 120 HB2 ASP 120 44.176 59.416 32.933 932 HB3 ASP 120 HB3 ASP 120 42.876 58.652 33.822 933 H CYS 121 H CYS 121 45.756 55.678 32.846 934 HA CYS 121 HA CYS 121 47.863 57.237 31.782 935 HB2 CYS 121 HB2 CYS 121 49.304 55.578 32.729 936 HB3 CYS 121 HB3 CYS 121 47.931 55.822 33.817 937 HG CYS 121 HG CYS 121 46.571 53.774 33.069 938 H LYS 122 H LYS 122 45.993 56.217 29.679 939 HA LYS 122 HA LYS 122 47.384 54.251 28.058 940 HB2 LYS 122 HB2 LYS 122 45.061 56.085 27.348 941 HB3 LYS 122 HB3 LYS 122 45.596 54.677 26.428 942 HG2 LYS 122 HG2 LYS 122 45.094 53.225 28.407 943 HG3 LYS 122 HG3 LYS 122 44.459 54.645 29.259 944 HD2 LYS 122 HD2 LYS 122 42.821 54.970 27.376 945 HD3 LYS 122 HD3 LYS 122 43.349 53.430 26.695 946 HE2 LYS 122 HE2 LYS 122 42.152 53.858 29.469 947 HE3 LYS 122 HE3 LYS 122 41.272 53.273 28.067 948 HZ1 LYS 122 HZ1 LYS 122 43.522 51.870 29.390 949 HZ2 LYS 122 HZ2 LYS 122 41.957 51.437 29.446 950 HZ3 LYS 122 HZ3 LYS 122 42.768 51.335 28.034 951 H GLU 123 H GLU 123 48.203 54.520 25.957 952 HA GLU 123 HA GLU 123 49.786 56.994 25.649 953 HB2 GLU 123 HB2 GLU 123 51.004 55.573 23.878 954 HB3 GLU 123 HB3 GLU 123 51.236 55.284 25.584 955 HG2 GLU 123 HG2 GLU 123 51.087 53.211 24.261 956 HG3 GLU 123 HG3 GLU 123 49.947 53.304 25.583 957 H LYS 124 H LYS 124 46.829 56.236 24.526 958 HA LYS 124 HA LYS 124 47.126 58.111 22.225 959 HB2 LYS 124 HB2 LYS 124 46.747 55.822 21.378 960 HB3 LYS 124 HB3 LYS 124 45.256 55.714 22.324 961 HG2 LYS 124 HG2 LYS 124 44.325 57.656 21.070 962 HG3 LYS 124 HG3 LYS 124 45.809 57.755 20.120 963 HD2 LYS 124 HD2 LYS 124 43.914 55.366 20.179 964 HD3 LYS 124 HD3 LYS 124 43.917 56.638 18.952 965 HE2 LYS 124 HE2 LYS 124 46.281 56.053 18.386 966 HE3 LYS 124 HE3 LYS 124 46.210 54.724 19.538 967 HZ1 LYS 124 HZ1 LYS 124 45.729 53.948 17.305 968 HZ2 LYS 124 HZ2 LYS 124 44.383 53.781 18.208 969 HZ3 LYS 124 HZ3 LYS 124 44.501 55.001 17.127 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -24.862 16.688 1.326 2 H2 LYS 1 H2 LYS 1 -26.488 16.773 1.442 3 H3 LYS 1 H3 LYS 1 -25.795 15.650 0.472 4 HA LYS 1 HA LYS 1 -25.529 15.753 3.402 5 HB2 LYS 1 HB2 LYS 1 -26.929 13.726 3.484 6 HB3 LYS 1 HB3 LYS 1 -27.769 15.189 3.020 7 HG2 LYS 1 HG2 LYS 1 -27.797 14.464 0.649 8 HG3 LYS 1 HG3 LYS 1 -26.949 12.968 1.091 9 HD2 LYS 1 HD2 LYS 1 -28.816 12.412 2.655 10 HD3 LYS 1 HD3 LYS 1 -29.699 13.831 2.093 11 HE2 LYS 1 HE2 LYS 1 -28.771 11.516 0.338 12 HE3 LYS 1 HE3 LYS 1 -30.377 11.658 1.031 13 HZ1 LYS 1 HZ1 LYS 1 -30.682 13.717 -0.233 14 HZ2 LYS 1 HZ2 LYS 1 -29.202 13.560 -0.918 15 HZ3 LYS 1 HZ3 LYS 1 -30.369 12.469 -1.228 16 H GLU 2 H GLU 2 -23.361 15.456 3.550 17 HA GLU 2 HA GLU 2 -22.322 12.784 2.979 18 HB2 GLU 2 HB2 GLU 2 -21.988 14.059 0.846 19 HB3 GLU 2 HB3 GLU 2 -21.062 15.263 1.728 20 HG2 GLU 2 HG2 GLU 2 -19.637 13.728 0.470 21 HG3 GLU 2 HG3 GLU 2 -19.294 13.646 2.180 22 H ALA 3 H ALA 3 -20.341 12.368 4.023 23 HA ALA 3 HA ALA 3 -18.999 12.255 5.806 24 HB1 ALA 3 HB1 ALA 3 -18.393 15.076 4.886 25 HB2 ALA 3 HB2 ALA 3 -17.305 14.000 5.792 26 HB3 ALA 3 HB3 ALA 3 -17.798 13.572 4.148 27 H ALA 4 H ALA 4 -21.298 12.362 7.006 28 HA ALA 4 HA ALA 4 -21.757 14.217 9.050 29 HB1 ALA 4 HB1 ALA 4 -23.228 12.321 8.599 30 HB2 ALA 4 HB2 ALA 4 -21.988 11.172 9.126 31 HB3 ALA 4 HB3 ALA 4 -22.702 12.296 10.293 32 HA PRO 5 HA PRO 5 -18.365 12.384 11.834 33 HB2 PRO 5 HB2 PRO 5 -16.486 10.626 10.960 34 HB3 PRO 5 HB3 PRO 5 -18.122 10.125 11.483 35 HG2 PRO 5 HG2 PRO 5 -17.198 10.634 8.625 36 HG3 PRO 5 HG3 PRO 5 -18.034 9.185 9.278 37 HD2 PRO 5 HD2 PRO 5 -19.381 11.154 8.055 38 HD3 PRO 5 HD3 PRO 5 -20.047 10.353 9.511 39 H LYS 6 H LYS 6 -17.135 12.775 8.524 40 HA LYS 6 HA LYS 6 -15.400 13.766 7.528 41 HB2 LYS 6 HB2 LYS 6 -16.666 15.706 8.172 42 HB3 LYS 6 HB3 LYS 6 -15.779 15.861 9.677 43 HG2 LYS 6 HG2 LYS 6 -14.070 15.765 7.223 44 HG3 LYS 6 HG3 LYS 6 -15.195 17.106 7.249 45 HD2 LYS 6 HD2 LYS 6 -13.267 16.483 9.522 46 HD3 LYS 6 HD3 LYS 6 -12.913 17.596 8.203 47 HE2 LYS 6 HE2 LYS 6 -15.282 17.909 10.100 48 HE3 LYS 6 HE3 LYS 6 -13.722 18.660 10.363 49 HZ1 LYS 6 HZ1 LYS 6 -13.996 19.830 8.231 50 HZ2 LYS 6 HZ2 LYS 6 -15.481 19.175 8.030 51 HZ3 LYS 6 HZ3 LYS 6 -15.199 20.193 9.264 52 H CYS 7 H CYS 7 -14.492 13.953 10.979 53 HA CYS 7 HA CYS 7 -12.137 12.290 10.578 54 HB2 CYS 7 HB2 CYS 7 -11.434 14.680 9.926 55 HB3 CYS 7 HB3 CYS 7 -11.665 15.083 11.645 56 HG CYS 7 HG CYS 7 -9.910 12.590 10.382 57 H ASN 8 H ASN 8 -11.137 11.718 12.721 58 HA ASN 8 HA ASN 8 -13.148 11.596 14.823 59 HB2 ASN 8 HB2 ASN 8 -11.822 10.066 15.886 60 HB3 ASN 8 HB3 ASN 8 -11.388 9.770 14.205 61 HD21 ASN 8 HD22 ASN 8 -9.850 9.012 16.529 62 HD22 ASN 8 HD21 ASN 8 -8.322 9.873 16.364 63 H ASN 9 H ASN 9 -10.538 13.754 14.137 64 HA ASN 9 HA ASN 9 -11.125 15.458 16.470 65 HB2 ASN 9 HB2 ASN 9 -9.588 13.760 17.408 66 HB3 ASN 9 HB3 ASN 9 -8.438 14.048 16.105 67 HD21 ASN 9 HD22 ASN 9 -6.869 15.625 16.455 68 HD22 ASN 9 HD21 ASN 9 -6.942 16.766 17.792 69 H CYS 10 H CYS 10 -9.049 14.872 13.595 70 HA CYS 10 HA CYS 10 -8.252 17.645 13.335 71 HB2 CYS 10 HB2 CYS 10 -8.043 15.531 11.174 72 HB3 CYS 10 HB3 CYS 10 -6.991 16.907 11.488 73 HG CYS 10 HG CYS 10 -6.002 16.034 13.739 74 H SER 11 H SER 11 -8.549 18.190 10.619 75 HA SER 11 HA SER 11 -11.503 18.415 10.200 76 HB2 SER 11 HB2 SER 11 -11.081 20.795 9.638 77 HB3 SER 11 HB3 SER 11 -10.625 20.396 11.301 78 HG SER 11 HG SER 11 -8.957 21.503 10.217 79 H GLN 12 H GLN 12 -9.279 16.792 8.766 80 HA GLN 12 HA GLN 12 -10.121 17.622 6.026 81 HB2 GLN 12 HB2 GLN 12 -8.100 16.714 5.094 82 HB3 GLN 12 HB3 GLN 12 -7.782 18.035 6.208 83 HG2 GLN 12 HG2 GLN 12 -7.094 16.393 7.959 84 HG3 GLN 12 HG3 GLN 12 -7.402 15.071 6.823 85 HE21 GLN 12 HE22 GLN 12 -5.360 18.009 7.340 86 HE22 GLN 12 HE21 GLN 12 -4.064 17.444 6.294 87 H ARG 13 H ARG 13 -10.823 16.140 4.622 88 HA ARG 13 HA ARG 13 -12.382 14.070 5.860 89 HB2 ARG 13 HB2 ARG 13 -13.569 13.989 3.756 90 HB3 ARG 13 HB3 ARG 13 -13.272 15.655 4.226 91 HG2 ARG 13 HG2 ARG 13 -11.320 15.718 2.622 92 HG3 ARG 13 HG3 ARG 13 -11.740 14.076 2.105 93 HD2 ARG 13 HD2 ARG 13 -13.965 14.881 1.361 94 HD3 ARG 13 HD3 ARG 13 -13.580 16.495 1.942 95 HE ARG 13 HE ARG 13 -12.037 16.832 0.189 96 HH11 ARG 13 HH11 ARG 13 -13.555 13.682 -0.194 97 HH12 ARG 13 HH12 ARG 13 -13.052 13.558 -1.867 98 HH21 ARG 13 HH21 ARG 13 -11.422 16.594 -1.915 99 HH22 ARG 13 HH22 ARG 13 -11.866 15.164 -2.809 100 H GLY 14 H GLY 14 -9.297 13.684 4.736 101 HA2 GLY 14 HA2 GLY 14 -9.450 11.293 3.187 102 HA3 GLY 14 HA3 GLY 14 -8.034 11.877 4.061 103 H HIS 15 H HIS 15 -9.727 11.676 6.650 104 HA HIS 15 HA HIS 15 -10.088 8.797 7.006 105 HB2 HIS 15 HB2 HIS 15 -8.460 8.604 8.836 106 HB3 HIS 15 HB3 HIS 15 -7.765 8.805 7.249 107 HD1 HIS 15 HD1 HIS 15 -5.588 9.395 8.937 108 HD2 HIS 15 HD2 HIS 15 -8.620 12.261 8.445 109 HE1 HIS 15 HE1 HIS 15 -4.604 11.617 9.663 110 H LEU 16 H LEU 16 -12.170 9.301 7.420 111 HA LEU 16 HA LEU 16 -13.190 10.982 9.485 112 HB2 LEU 16 HB2 LEU 16 -15.260 9.730 9.159 113 HB3 LEU 16 HB3 LEU 16 -14.521 10.305 7.678 114 HG LEU 16 HG LEU 16 -13.596 7.897 7.369 115 HD11 LEU 16 HD11 LEU 16 -15.035 6.149 8.416 116 HD12 LEU 16 HD12 LEU 16 -14.032 6.972 9.611 117 HD13 LEU 16 HD13 LEU 16 -15.766 7.381 9.458 118 HD21 LEU 16 HD21 LEU 16 -16.601 8.369 7.269 119 HD22 LEU 16 HD22 LEU 16 -15.418 8.882 6.042 120 HD23 LEU 16 HD23 LEU 16 -15.675 7.162 6.347 121 H LYS 17 H LYS 17 -14.722 9.786 11.217 122 HA LYS 17 HA LYS 17 -13.314 9.469 13.447 123 HB2 LYS 17 HB2 LYS 17 -15.925 9.382 12.898 124 HB3 LYS 17 HB3 LYS 17 -15.746 7.685 13.264 125 HG2 LYS 17 HG2 LYS 17 -14.937 10.021 15.047 126 HG3 LYS 17 HG3 LYS 17 -16.434 9.116 15.185 127 HD2 LYS 17 HD2 LYS 17 -13.636 8.017 15.719 128 HD3 LYS 17 HD3 LYS 17 -14.845 8.489 16.910 129 HE2 LYS 17 HE2 LYS 17 -16.401 6.751 15.905 130 HE3 LYS 17 HE3 LYS 17 -15.045 6.172 14.945 131 HZ1 LYS 17 HZ1 LYS 17 -13.855 5.740 17.047 132 HZ2 LYS 17 HZ2 LYS 17 -15.142 6.259 17.910 133 HZ3 LYS 17 HZ3 LYS 17 -15.264 4.918 17.003 134 H LYS 18 H LYS 18 -14.566 6.468 11.999 135 HA LYS 18 HA LYS 18 -12.726 4.721 13.419 136 HB2 LYS 18 HB2 LYS 18 -13.835 2.936 12.112 137 HB3 LYS 18 HB3 LYS 18 -14.969 3.971 12.968 138 HG2 LYS 18 HG2 LYS 18 -15.661 5.090 10.997 139 HG3 LYS 18 HG3 LYS 18 -14.297 4.498 10.047 140 HD2 LYS 18 HD2 LYS 18 -16.434 2.670 11.200 141 HD3 LYS 18 HD3 LYS 18 -16.601 3.433 9.625 142 HE2 LYS 18 HE2 LYS 18 -14.254 1.648 10.383 143 HE3 LYS 18 HE3 LYS 18 -15.724 1.052 9.622 144 HZ1 LYS 18 HZ1 LYS 18 -15.277 2.517 7.725 145 HZ2 LYS 18 HZ2 LYS 18 -13.911 3.057 8.414 146 HZ3 LYS 18 HZ3 LYS 18 -14.009 1.509 7.973 147 H ASP 19 H ASP 19 -12.181 6.536 10.651 148 HA ASP 19 HA ASP 19 -10.303 4.580 9.416 149 HB2 ASP 19 HB2 ASP 19 -11.774 7.026 8.461 150 HB3 ASP 19 HB3 ASP 19 -10.275 6.559 7.684 151 H CYS 20 H CYS 20 -10.290 7.502 11.346 152 HA CYS 20 HA CYS 20 -7.652 8.382 10.780 153 HB2 CYS 20 HB2 CYS 20 -9.558 9.624 11.953 154 HB3 CYS 20 HB3 CYS 20 -9.043 8.792 13.434 155 HG CYS 20 HG CYS 20 -7.950 11.109 13.469 156 HA PRO 21 HA PRO 21 -5.857 5.699 14.249 157 HB2 PRO 21 HB2 PRO 21 -7.262 3.837 15.619 158 HB3 PRO 21 HB3 PRO 21 -7.332 5.575 16.049 159 HG2 PRO 21 HG2 PRO 21 -9.289 3.996 14.344 160 HG3 PRO 21 HG3 PRO 21 -9.653 5.079 15.724 161 HD2 PRO 21 HD2 PRO 21 -9.787 5.903 13.129 162 HD3 PRO 21 HD3 PRO 21 -9.268 6.994 14.451 163 H HIS 22 H HIS 22 -4.813 3.617 14.150 164 HA HIS 22 HA HIS 22 -5.522 1.904 11.866 165 HB2 HIS 22 HB2 HIS 22 -3.150 2.353 12.506 166 HB3 HIS 22 HB3 HIS 22 -3.409 1.404 13.973 167 HD1 HIS 22 HD1 HIS 22 -4.293 -1.294 13.327 168 HD2 HIS 22 HD2 HIS 22 -2.401 1.041 10.393 169 HE1 HIS 22 HE1 HIS 22 -3.521 -2.901 11.531 170 H ILE 23 H ILE 23 -6.803 0.263 11.943 171 HA ILE 23 HA ILE 23 -8.586 0.059 14.101 172 HB ILE 23 HB ILE 23 -9.081 0.103 11.706 173 HG12 ILE 23 HG12 ILE 23 -10.885 -1.482 11.554 174 HG13 ILE 23 HG13 ILE 23 -10.289 -2.386 12.945 175 HG21 ILE 23 HG21 ILE 23 -7.274 -1.410 10.896 176 HG22 ILE 23 HG22 ILE 23 -8.159 -2.790 11.574 177 HG23 ILE 23 HG23 ILE 23 -8.863 -1.825 10.260 178 HD11 ILE 23 HD11 ILE 23 -10.757 -0.437 14.413 179 HD12 ILE 23 HD12 ILE 23 -11.215 0.529 12.990 180 HD13 ILE 23 HD13 ILE 23 -12.199 -0.866 13.471 181 H ILE 24 H ILE 24 -9.378 -1.641 15.291 182 HA ILE 24 HA ILE 24 -7.529 -3.664 16.297 183 HB ILE 24 HB ILE 24 -9.708 -4.351 17.563 184 HG12 ILE 24 HG12 ILE 24 -10.583 -1.561 16.735 185 HG13 ILE 24 HG13 ILE 24 -11.272 -3.065 16.110 186 HG21 ILE 24 HG21 ILE 24 -8.314 -1.682 18.044 187 HG22 ILE 24 HG22 ILE 24 -9.244 -2.607 19.253 188 HG23 ILE 24 HG23 ILE 24 -7.763 -3.284 18.576 189 HD11 ILE 24 HD11 ILE 24 -11.903 -3.673 18.487 190 HD12 ILE 24 HD12 ILE 24 -11.389 -2.038 18.975 191 HD13 ILE 24 HD13 ILE 24 -12.719 -2.238 17.832 192 H CYS 25 H CYS 25 -8.083 -5.965 16.486 193 HA CYS 25 HA CYS 25 -8.759 -7.095 13.899 194 HB2 CYS 25 HB2 CYS 25 -8.132 -8.484 16.536 195 HB3 CYS 25 HB3 CYS 25 -8.136 -9.220 14.935 196 HG CYS 25 HG CYS 25 -6.232 -7.757 13.911 197 H SER 26 H SER 26 -10.911 -5.886 15.858 198 HA SER 26 HA SER 26 -12.975 -6.196 16.644 199 HB2 SER 26 HB2 SER 26 -13.228 -8.524 14.745 200 HB3 SER 26 HB3 SER 26 -14.543 -7.747 15.639 201 HG SER 26 HG SER 26 -14.178 -6.822 13.559 202 H TYR 27 H TYR 27 -13.816 -6.863 18.455 203 HA TYR 27 HA TYR 27 -13.757 -7.665 20.547 204 HB2 TYR 27 HB2 TYR 27 -13.686 -10.372 19.195 205 HB3 TYR 27 HB3 TYR 27 -14.236 -10.032 20.831 206 HD1 TYR 27 HD1 TYR 27 -16.302 -8.601 21.190 207 HD2 TYR 27 HD2 TYR 27 -15.128 -10.046 17.300 208 HE1 TYR 27 HE1 TYR 27 -18.579 -8.109 20.321 209 HE2 TYR 27 HE2 TYR 27 -17.413 -9.553 16.434 210 HH TYR 27 HH TYR 27 -19.950 -8.168 18.421 211 H CYS 28 H CYS 28 -11.152 -7.045 19.414 212 HA CYS 28 HA CYS 28 -9.352 -8.244 21.419 213 HB2 CYS 28 HB2 CYS 28 -9.165 -9.866 19.667 214 HB3 CYS 28 HB3 CYS 28 -9.205 -8.635 18.407 215 HG CYS 28 HG CYS 28 -6.817 -9.016 20.688 216 H GLY 29 H GLY 29 -8.600 -6.400 22.329 217 HA2 GLY 29 HA2 GLY 29 -7.104 -4.597 22.393 218 HA3 GLY 29 HA3 GLY 29 -7.289 -4.356 20.650 219 H ALA 30 H ALA 30 -7.209 -2.198 22.035 220 HA ALA 30 HA ALA 30 -9.973 -1.095 21.862 221 HB1 ALA 30 HB1 ALA 30 -9.140 0.765 23.265 222 HB2 ALA 30 HB2 ALA 30 -9.041 -0.788 24.124 223 HB3 ALA 30 HB3 ALA 30 -7.576 -0.056 23.427 224 H THR 31 H THR 31 -10.258 0.510 20.317 225 HA THR 31 HA THR 31 -8.411 0.568 18.157 226 HB THR 31 HB THR 31 -10.831 0.867 17.979 227 HG1 THR 31 HG1 THR 31 -10.592 2.332 16.325 228 HG21 THR 31 HG21 THR 31 -11.193 2.540 19.817 229 HG22 THR 31 HG22 THR 31 -10.376 3.761 18.817 230 HG23 THR 31 HG23 THR 31 -11.893 3.015 18.269 231 H ASP 32 H ASP 32 -8.510 2.641 20.960 232 HA ASP 32 HA ASP 32 -6.615 4.593 19.812 233 HB2 ASP 32 HB2 ASP 32 -8.506 5.241 21.291 234 HB3 ASP 32 HB3 ASP 32 -7.768 4.328 22.601 235 H ASP 33 H ASP 33 -6.289 1.536 21.339 236 HA ASP 33 HA ASP 33 -3.433 1.929 21.942 237 HB2 ASP 33 HB2 ASP 33 -4.465 2.686 24.008 238 HB3 ASP 33 HB3 ASP 33 -5.501 1.264 24.070 239 H HIS 34 H HIS 34 -2.929 0.386 20.403 240 HA HIS 34 HA HIS 34 -3.368 -2.407 21.187 241 HB2 HIS 34 HB2 HIS 34 -5.353 -1.566 19.758 242 HB3 HIS 34 HB3 HIS 34 -4.220 -1.479 18.418 243 HD1 HIS 34 HD1 HIS 34 -4.740 -4.297 21.058 244 HD2 HIS 34 HD2 HIS 34 -5.083 -3.464 16.959 245 HE1 HIS 34 HE1 HIS 34 -5.605 -6.419 19.959 246 H TYR 35 H TYR 35 -1.700 -3.702 20.660 247 HA TYR 35 HA TYR 35 -0.134 -3.387 18.261 248 HB2 TYR 35 HB2 TYR 35 1.013 -1.746 19.765 249 HB3 TYR 35 HB3 TYR 35 1.243 -3.020 20.954 250 HD1 TYR 35 HD2 TYR 35 1.843 -2.545 17.246 251 HD2 TYR 35 HD1 TYR 35 3.425 -3.844 21.042 252 HE1 TYR 35 HE2 TYR 35 3.961 -3.204 16.133 253 HE2 TYR 35 HE1 TYR 35 5.549 -4.512 19.916 254 HH TYR 35 HH TYR 35 6.090 -4.112 16.474 255 H SER 36 H SER 36 1.339 -5.236 17.967 256 HA SER 36 HA SER 36 0.170 -7.699 18.425 257 HB2 SER 36 HB2 SER 36 3.078 -7.081 17.819 258 HB3 SER 36 HB3 SER 36 2.228 -8.598 17.463 259 HG SER 36 HG SER 36 2.196 -7.120 15.701 260 H ARG 37 H ARG 37 2.603 -6.137 20.455 261 HA ARG 37 HA ARG 37 3.189 -8.453 22.106 262 HB2 ARG 37 HB2 ARG 37 4.692 -6.488 21.742 263 HB3 ARG 37 HB3 ARG 37 3.587 -5.492 22.694 264 HG2 ARG 37 HG2 ARG 37 4.021 -6.868 24.688 265 HG3 ARG 37 HG3 ARG 37 5.034 -7.969 23.729 266 HD2 ARG 37 HD2 ARG 37 6.600 -6.127 23.260 267 HD3 ARG 37 HD3 ARG 37 5.575 -5.007 24.171 268 HE ARG 37 HE ARG 37 6.217 -7.161 25.895 269 HH11 ARG 37 HH11 ARG 37 7.948 -4.529 24.339 270 HH12 ARG 37 HH12 ARG 37 9.154 -4.452 25.606 271 HH21 ARG 37 HH21 ARG 37 7.775 -6.999 27.478 272 HH22 ARG 37 HH22 ARG 37 9.052 -5.817 27.335 273 H HIS 38 H HIS 38 0.596 -6.138 22.130 274 HA HIS 38 HA HIS 38 -0.297 -7.038 24.833 275 HB2 HIS 38 HB2 HIS 38 0.657 -4.710 24.592 276 HB3 HIS 38 HB3 HIS 38 -0.704 -4.318 23.549 277 HD1 HIS 38 HD1 HIS 38 -0.942 -6.263 26.912 278 HD2 HIS 38 HD2 HIS 38 -1.921 -2.589 25.131 279 HE1 HIS 38 HE1 HIS 38 -2.390 -5.027 28.586 280 H CYS 39 H CYS 39 -1.150 -7.282 21.651 281 HA CYS 39 HA CYS 39 -3.512 -6.873 20.886 282 HB2 CYS 39 HB2 CYS 39 -1.787 -9.193 20.671 283 HB3 CYS 39 HB3 CYS 39 -3.469 -9.706 20.577 284 HG CYS 39 HG CYS 39 -2.005 -7.298 18.845 285 HA PRO 40 HA PRO 40 -6.410 -9.802 23.058 286 HB2 PRO 40 HB2 PRO 40 -5.788 -11.665 24.921 287 HB3 PRO 40 HB3 PRO 40 -5.305 -11.823 23.213 288 HG2 PRO 40 HG2 PRO 40 -3.628 -10.690 25.483 289 HG3 PRO 40 HG3 PRO 40 -3.195 -12.020 24.358 290 HD2 PRO 40 HD2 PRO 40 -2.428 -9.460 23.890 291 HD3 PRO 40 HD3 PRO 40 -2.925 -10.542 22.559 292 H LYS 41 H LYS 41 -6.246 -7.317 23.896 293 HA LYS 41 HA LYS 41 -7.065 -7.272 26.768 294 HB2 LYS 41 HB2 LYS 41 -5.984 -5.176 27.081 295 HB3 LYS 41 HB3 LYS 41 -4.861 -6.303 26.380 296 HG2 LYS 41 HG2 LYS 41 -4.328 -4.417 25.212 297 HG3 LYS 41 HG3 LYS 41 -5.399 -5.216 24.085 298 HD2 LYS 41 HD2 LYS 41 -5.777 -2.786 24.193 299 HD3 LYS 41 HD3 LYS 41 -7.215 -3.684 24.637 300 HE2 LYS 41 HE2 LYS 41 -7.001 -1.784 26.095 301 HE3 LYS 41 HE3 LYS 41 -6.756 -3.240 27.049 302 HZ1 LYS 41 HZ1 LYS 41 -5.116 -1.565 27.614 303 HZ2 LYS 41 HZ2 LYS 41 -4.317 -2.780 26.870 304 HZ3 LYS 41 HZ3 LYS 41 -4.638 -1.405 26.087 305 H ALA 42 H ALA 42 -8.297 -5.311 27.347 306 HA ALA 42 HA ALA 42 -10.181 -4.149 27.431 307 HB1 ALA 42 HB1 ALA 42 -10.973 -2.920 25.453 308 HB2 ALA 42 HB2 ALA 42 -9.230 -2.769 25.718 309 HB3 ALA 42 HB3 ALA 42 -9.852 -3.837 24.437 310 H ILE 43 H ILE 43 -10.733 -6.252 24.569 311 HA ILE 43 HA ILE 43 -13.566 -6.486 25.424 312 HB ILE 43 HB ILE 43 -12.514 -6.875 22.618 313 HG12 ILE 43 HG12 ILE 43 -13.506 -4.348 24.013 314 HG13 ILE 43 HG13 ILE 43 -11.899 -4.618 23.344 315 HG21 ILE 43 HG21 ILE 43 -15.293 -6.252 23.752 316 HG22 ILE 43 HG22 ILE 43 -14.912 -6.424 22.033 317 HG23 ILE 43 HG23 ILE 43 -14.789 -7.819 23.094 318 HD11 ILE 43 HD11 ILE 43 -14.448 -4.226 21.766 319 HD12 ILE 43 HD12 ILE 43 -13.031 -3.176 21.871 320 HD13 ILE 43 HD13 ILE 43 -12.890 -4.746 21.056 321 H GLN 44 H GLN 44 -12.189 -7.994 26.894 322 HA GLN 44 HA GLN 44 -12.833 -10.788 26.241 323 HB2 GLN 44 HB2 GLN 44 -10.056 -9.814 27.048 324 HB3 GLN 44 HB3 GLN 44 -10.539 -11.498 27.020 325 HG2 GLN 44 HG2 GLN 44 -10.440 -9.734 24.519 326 HG3 GLN 44 HG3 GLN 44 -9.120 -10.726 25.091 327 HE21 GLN 44 HE22 GLN 44 -11.494 -10.844 22.781 328 HE22 GLN 44 HE21 GLN 44 -11.653 -12.587 22.698 329 H CYS 45 H CYS 45 -12.593 -12.159 28.263 330 HA CYS 45 HA CYS 45 -12.855 -10.590 30.793 331 HB2 CYS 45 HB2 CYS 45 -14.596 -12.252 31.480 332 HB3 CYS 45 HB3 CYS 45 -15.083 -11.154 30.178 333 HG CYS 45 HG CYS 45 -13.704 -14.082 29.650 334 H SER 46 H SER 46 -11.515 -11.171 32.341 335 HA SER 46 HA SER 46 -9.361 -12.880 31.740 336 HB2 SER 46 HB2 SER 46 -8.664 -12.176 34.084 337 HB3 SER 46 HB3 SER 46 -9.078 -10.860 32.972 338 HG SER 46 HG SER 46 -10.108 -10.664 34.981 339 H LYS 47 H LYS 47 -12.272 -13.725 33.427 340 HA LYS 47 HA LYS 47 -11.032 -16.087 34.770 341 HB2 LYS 47 HB2 LYS 47 -13.845 -14.919 34.878 342 HB3 LYS 47 HB3 LYS 47 -13.401 -16.449 35.593 343 HG2 LYS 47 HG2 LYS 47 -13.374 -14.932 37.356 344 HG3 LYS 47 HG3 LYS 47 -11.704 -15.359 37.021 345 HD2 LYS 47 HD2 LYS 47 -11.937 -12.999 37.587 346 HD3 LYS 47 HD3 LYS 47 -11.330 -13.182 35.946 347 HE2 LYS 47 HE2 LYS 47 -13.697 -12.817 35.106 348 HE3 LYS 47 HE3 LYS 47 -14.218 -12.578 36.769 349 HZ1 LYS 47 HZ1 LYS 47 -13.764 -10.473 35.629 350 HZ2 LYS 47 HZ2 LYS 47 -12.739 -10.655 36.891 351 HZ3 LYS 47 HZ3 LYS 47 -12.214 -10.920 35.369 352 H CYS 48 H CYS 48 -12.378 -15.417 31.758 353 HA CYS 48 HA CYS 48 -13.455 -18.194 31.381 354 HB2 CYS 48 HB2 CYS 48 -15.130 -16.706 32.320 355 HB3 CYS 48 HB3 CYS 48 -14.850 -15.505 31.067 356 HG CYS 48 HG CYS 48 -17.114 -16.665 30.657 357 H ASP 49 H ASP 49 -11.858 -15.492 29.912 358 HA ASP 49 HA ASP 49 -11.189 -14.846 27.924 359 HB2 ASP 49 HB2 ASP 49 -11.565 -17.689 26.958 360 HB3 ASP 49 HB3 ASP 49 -10.895 -16.379 26.013 361 H GLU 50 H GLU 50 -11.899 -13.904 26.080 362 HA GLU 50 HA GLU 50 -13.268 -12.456 25.162 363 HB2 GLU 50 HB2 GLU 50 -14.399 -13.220 23.318 364 HB3 GLU 50 HB3 GLU 50 -12.991 -14.243 23.567 365 HG2 GLU 50 HG2 GLU 50 -14.513 -15.999 24.542 366 HG3 GLU 50 HG3 GLU 50 -15.892 -14.957 24.132 367 H VAL 51 H VAL 51 -14.785 -10.949 25.541 368 HA VAL 51 HA VAL 51 -17.278 -11.713 26.953 369 HB VAL 51 HB VAL 51 -17.980 -9.395 26.690 370 HG11 VAL 51 HG11 VAL 51 -16.385 -8.430 28.264 371 HG12 VAL 51 HG12 VAL 51 -16.748 -10.110 28.678 372 HG13 VAL 51 HG13 VAL 51 -15.202 -9.706 27.893 373 HG21 VAL 51 HG21 VAL 51 -15.244 -8.934 25.432 374 HG22 VAL 51 HG22 VAL 51 -16.818 -8.793 24.605 375 HG23 VAL 51 HG23 VAL 51 -16.411 -7.680 25.914 376 H GLY 52 H GLY 52 -16.156 -11.802 23.772 377 HA2 GLY 52 HA2 GLY 52 -18.421 -11.103 22.234 378 HA3 GLY 52 HA3 GLY 52 -17.069 -12.109 21.719 379 H HIS 53 H HIS 53 -18.584 -13.600 24.360 380 HA HIS 53 HA HIS 53 -20.645 -14.995 22.761 381 HB2 HIS 53 HB2 HIS 53 -20.002 -17.180 23.598 382 HB3 HIS 53 HB3 HIS 53 -18.757 -16.462 22.597 383 HD1 HIS 53 HD1 HIS 53 -17.307 -18.478 23.917 384 HD2 HIS 53 HD2 HIS 53 -18.415 -15.037 26.068 385 HE1 HIS 53 HE1 HIS 53 -15.798 -18.370 25.966 386 H TYR 54 H TYR 54 -22.044 -16.397 24.255 387 HA TYR 54 HA TYR 54 -23.814 -16.275 25.647 388 HB2 TYR 54 HB2 TYR 54 -21.589 -15.624 27.574 389 HB3 TYR 54 HB3 TYR 54 -23.266 -15.778 28.086 390 HD1 TYR 54 HD1 TYR 54 -24.461 -17.908 28.003 391 HD2 TYR 54 HD2 TYR 54 -20.316 -17.606 26.846 392 HE1 TYR 54 HE1 TYR 54 -24.233 -20.385 28.152 393 HE2 TYR 54 HE2 TYR 54 -20.096 -20.078 26.990 394 HH TYR 54 HH TYR 54 -21.234 -22.070 27.473 395 H ARG 55 H ARG 55 -25.006 -14.799 24.606 396 HA ARG 55 HA ARG 55 -26.049 -12.871 24.023 397 HB2 ARG 55 HB2 ARG 55 -25.766 -12.134 26.953 398 HB3 ARG 55 HB3 ARG 55 -26.925 -11.471 25.798 399 HG2 ARG 55 HG2 ARG 55 -27.857 -13.792 25.477 400 HG3 ARG 55 HG3 ARG 55 -26.840 -14.340 26.817 401 HD2 ARG 55 HD2 ARG 55 -28.969 -12.168 26.951 402 HD3 ARG 55 HD3 ARG 55 -29.157 -13.834 27.505 403 HE ARG 55 HE ARG 55 -26.894 -12.714 28.828 404 HH11 ARG 55 HH11 ARG 55 -30.389 -12.359 28.866 405 HH12 ARG 55 HH12 ARG 55 -30.412 -11.810 30.526 406 HH21 ARG 55 HH21 ARG 55 -26.983 -11.970 30.925 407 HH22 ARG 55 HH22 ARG 55 -28.524 -11.605 31.662 408 H SER 56 H SER 56 -23.198 -12.868 23.690 409 HA SER 56 HA SER 56 -21.390 -11.567 23.272 410 HB2 SER 56 HB2 SER 56 -23.318 -9.271 22.775 411 HB3 SER 56 HB3 SER 56 -21.726 -9.553 22.039 412 HG SER 56 HG SER 56 -22.618 -11.286 20.963 413 H GLN 57 H GLN 57 -22.365 -11.532 26.075 414 HA GLN 57 HA GLN 57 -21.015 -9.068 27.105 415 HB2 GLN 57 HB2 GLN 57 -23.803 -10.132 27.698 416 HB3 GLN 57 HB3 GLN 57 -22.978 -9.019 28.780 417 HG2 GLN 57 HG2 GLN 57 -22.925 -7.268 27.142 418 HG3 GLN 57 HG3 GLN 57 -23.497 -8.334 25.860 419 HE21 GLN 57 HE22 GLN 57 -25.721 -9.107 25.943 420 HE22 GLN 57 HE21 GLN 57 -26.938 -8.200 26.841 421 H CYS 58 H CYS 58 -21.518 -12.466 27.421 422 HA CYS 58 HA CYS 58 -21.352 -14.027 28.957 423 HB2 CYS 58 HB2 CYS 58 -19.280 -12.165 30.123 424 HB3 CYS 58 HB3 CYS 58 -19.757 -13.622 30.996 425 HG CYS 58 HG CYS 58 -18.939 -13.493 27.811 426 HA PRO 59 HA PRO 59 -24.508 -13.586 31.870 427 HB2 PRO 59 HB2 PRO 59 -22.935 -15.120 33.927 428 HB3 PRO 59 HB3 PRO 59 -24.593 -15.415 33.322 429 HG2 PRO 59 HG2 PRO 59 -22.561 -16.943 32.431 430 HG3 PRO 59 HG3 PRO 59 -23.746 -16.289 31.248 431 HD2 PRO 59 HD2 PRO 59 -21.030 -15.164 31.991 432 HD3 PRO 59 HD3 PRO 59 -21.689 -15.514 30.369 433 H HIS 60 H HIS 60 -25.051 -13.245 34.369 434 HA HIS 60 HA HIS 60 -24.380 -10.592 35.058 435 HB2 HIS 60 HB2 HIS 60 -26.458 -11.894 35.627 436 HB3 HIS 60 HB3 HIS 60 -25.539 -12.732 36.873 437 HD1 HIS 60 HD1 HIS 60 -26.607 -9.103 35.983 438 HD2 HIS 60 HD2 HIS 60 -25.487 -11.528 39.222 439 HE1 HIS 60 HE1 HIS 60 -26.893 -7.682 38.062 440 H LYS 61 H LYS 61 -23.598 -9.901 37.240 441 HA LYS 61 HA LYS 61 -20.835 -10.048 37.168 442 HB2 LYS 61 HB2 LYS 61 -22.767 -9.024 39.269 443 HB3 LYS 61 HB3 LYS 61 -21.039 -8.989 39.554 444 HG2 LYS 61 HG2 LYS 61 -21.688 -6.859 38.770 445 HG3 LYS 61 HG3 LYS 61 -20.662 -7.619 37.557 446 HD2 LYS 61 HD2 LYS 61 -22.630 -8.131 36.168 447 HD3 LYS 61 HD3 LYS 61 -23.711 -7.453 37.398 448 HE2 LYS 61 HE2 LYS 61 -21.526 -5.922 35.922 449 HE3 LYS 61 HE3 LYS 61 -23.210 -5.962 35.430 450 HZ1 LYS 61 HZ1 LYS 61 -22.215 -4.843 37.991 451 HZ2 LYS 61 HZ2 LYS 61 -22.778 -3.994 36.722 452 HZ3 LYS 61 HZ3 LYS 61 -23.795 -4.939 37.569 453 H TRP 62 H TRP 62 -19.199 -10.823 38.289 454 HA TRP 62 HA TRP 62 -19.383 -13.494 39.322 455 HB2 TRP 62 HB2 TRP 62 -17.047 -11.558 39.298 456 HB3 TRP 62 HB3 TRP 62 -16.943 -13.299 39.498 457 HD1 TRP 62 HD1 TRP 62 -17.884 -14.762 37.310 458 HE1 TRP 62 HE1 TRP 62 -17.511 -14.346 34.818 459 HE3 TRP 62 HE3 TRP 62 -16.657 -9.798 37.494 460 HZ2 TRP 62 HZ2 TRP 62 -16.748 -12.163 33.109 461 HZ3 TRP 62 HZ3 TRP 62 -16.121 -8.575 35.403 462 HH2 TRP 62 HH2 TRP 62 -16.156 -9.739 33.216 463 H LYS 63 H LYS 63 -18.121 -14.181 41.273 464 HA LYS 63 HA LYS 63 -18.825 -12.573 43.695 465 HB2 LYS 63 HB2 LYS 63 -18.823 -15.590 43.318 466 HB3 LYS 63 HB3 LYS 63 -19.022 -14.767 44.868 467 HG2 LYS 63 HG2 LYS 63 -21.047 -13.606 43.997 468 HG3 LYS 63 HG3 LYS 63 -20.862 -14.444 42.456 469 HD2 LYS 63 HD2 LYS 63 -22.556 -15.564 43.711 470 HD3 LYS 63 HD3 LYS 63 -21.149 -16.630 43.622 471 HE2 LYS 63 HE2 LYS 63 -20.502 -15.969 45.923 472 HE3 LYS 63 HE3 LYS 63 -21.855 -14.845 45.991 473 HZ1 LYS 63 HZ1 LYS 63 -22.109 -17.788 45.719 474 HZ2 LYS 63 HZ2 LYS 63 -22.394 -16.938 47.079 475 HZ3 LYS 63 HZ3 LYS 63 -23.363 -16.742 45.785 476 H LYS 64 H LYS 64 -17.569 -12.938 45.579 477 HA LYS 64 HA LYS 64 -14.793 -12.392 44.996 478 HB2 LYS 64 HB2 LYS 64 -14.663 -11.659 47.282 479 HB3 LYS 64 HB3 LYS 64 -16.162 -11.080 46.574 480 HG2 LYS 64 HG2 LYS 64 -17.413 -12.912 47.715 481 HG3 LYS 64 HG3 LYS 64 -15.898 -13.504 48.416 482 HD2 LYS 64 HD2 LYS 64 -15.591 -11.310 49.556 483 HD3 LYS 64 HD3 LYS 64 -17.153 -10.772 48.905 484 HE2 LYS 64 HE2 LYS 64 -18.258 -12.717 50.043 485 HE3 LYS 64 HE3 LYS 64 -16.691 -13.180 50.710 486 HZ1 LYS 64 HZ1 LYS 64 -18.081 -10.620 51.289 487 HZ2 LYS 64 HZ2 LYS 64 -17.932 -11.891 52.323 488 HZ3 LYS 64 HZ3 LYS 64 -16.618 -11.067 51.854 489 H VAL 65 H VAL 65 -13.044 -13.065 46.424 490 HA VAL 65 HA VAL 65 -12.591 -15.937 46.443 491 HB VAL 65 HB VAL 65 -10.443 -15.321 47.573 492 HG11 VAL 65 HG11 VAL 65 -9.429 -14.322 45.613 493 HG12 VAL 65 HG12 VAL 65 -10.649 -15.496 45.106 494 HG13 VAL 65 HG13 VAL 65 -11.006 -13.758 45.022 495 HG21 VAL 65 HG21 VAL 65 -11.132 -13.232 48.720 496 HG22 VAL 65 HG22 VAL 65 -9.759 -12.948 47.629 497 HG23 VAL 65 HG23 VAL 65 -11.375 -12.438 47.151 498 H GLN 66 H GLN 66 -12.265 -17.314 48.205 499 HA GLN 66 HA GLN 66 -14.326 -17.038 50.097 500 HB2 GLN 66 HB2 GLN 66 -13.574 -19.245 50.956 501 HB3 GLN 66 HB3 GLN 66 -13.888 -19.143 49.239 502 HG2 GLN 66 HG2 GLN 66 -11.976 -20.536 49.560 503 HG3 GLN 66 HG3 GLN 66 -11.461 -19.071 48.751 504 HE21 GLN 66 HE22 GLN 66 -9.270 -19.077 49.421 505 HE22 GLN 66 HE21 GLN 66 -8.833 -18.911 51.118 506 H CYS 67 H CYS 67 -11.018 -16.052 50.575 507 HA CYS 67 HA CYS 67 -11.169 -15.948 53.486 508 HB2 CYS 67 HB2 CYS 67 -9.417 -14.480 51.455 509 HB3 CYS 67 HB3 CYS 67 -9.190 -14.432 53.207 510 HG CYS 67 HG CYS 67 -8.823 -16.916 53.589 511 H THR 68 H THR 68 -12.600 -13.989 51.053 512 HA THR 68 HA THR 68 -13.204 -11.894 50.740 513 HB THR 68 HB THR 68 -14.228 -12.450 53.183 514 HG1 THR 68 HG1 THR 68 -14.461 -10.034 51.839 515 HG21 THR 68 HG21 THR 68 -12.503 -11.193 54.479 516 HG22 THR 68 HG22 THR 68 -12.877 -9.730 53.541 517 HG23 THR 68 HG23 THR 68 -14.108 -10.461 54.586 518 H LEU 69 H LEU 69 -10.423 -12.230 52.829 519 HA LEU 69 HA LEU 69 -9.331 -9.592 52.243 520 HB2 LEU 69 HB2 LEU 69 -8.057 -11.987 53.607 521 HB3 LEU 69 HB3 LEU 69 -7.516 -10.316 53.683 522 HG LEU 69 HG LEU 69 -10.039 -11.475 54.937 523 HD11 LEU 69 HD11 LEU 69 -7.921 -11.977 56.100 524 HD12 LEU 69 HD12 LEU 69 -7.531 -10.242 56.146 525 HD13 LEU 69 HD13 LEU 69 -8.933 -10.869 57.038 526 HD21 LEU 69 HD21 LEU 69 -10.365 -9.232 55.934 527 HD22 LEU 69 HD22 LEU 69 -9.035 -8.595 54.937 528 HD23 LEU 69 HD23 LEU 69 -10.532 -9.183 54.176 529 H CYS 70 H CYS 70 -9.154 -12.587 50.560 530 HA CYS 70 HA CYS 70 -6.393 -12.324 49.683 531 HB2 CYS 70 HB2 CYS 70 -8.425 -14.381 49.621 532 HB3 CYS 70 HB3 CYS 70 -7.821 -14.151 47.986 533 HG CYS 70 HG CYS 70 -6.484 -16.059 49.157 534 H LYS 71 H LYS 71 -6.175 -12.809 47.154 535 HA LYS 71 HA LYS 71 -5.887 -11.939 45.114 536 HB2 LYS 71 HB2 LYS 71 -8.514 -12.089 45.238 537 HB3 LYS 71 HB3 LYS 71 -8.443 -10.338 45.314 538 HG2 LYS 71 HG2 LYS 71 -8.822 -10.949 43.057 539 HG3 LYS 71 HG3 LYS 71 -7.161 -10.358 43.129 540 HD2 LYS 71 HD2 LYS 71 -6.319 -12.693 43.115 541 HD3 LYS 71 HD3 LYS 71 -7.985 -13.303 43.189 542 HE2 LYS 71 HE2 LYS 71 -8.464 -12.201 41.016 543 HE3 LYS 71 HE3 LYS 71 -6.804 -11.624 40.943 544 HZ1 LYS 71 HZ1 LYS 71 -6.076 -13.960 40.923 545 HZ2 LYS 71 HZ2 LYS 71 -7.626 -14.477 40.959 546 HZ3 LYS 71 HZ3 LYS 71 -7.068 -13.659 39.666 547 H SER 72 H SER 72 -6.487 -9.620 47.624 548 HA SER 72 HA SER 72 -5.097 -7.409 46.370 549 HB2 SER 72 HB2 SER 72 -6.663 -7.044 48.187 550 HB3 SER 72 HB3 SER 72 -5.657 -8.012 49.287 551 HG SER 72 HG SER 72 -5.256 -5.692 49.284 552 H LYS 73 H LYS 73 -3.053 -6.622 46.824 553 HA LYS 73 HA LYS 73 -0.865 -8.505 47.024 554 HB2 LYS 73 HB2 LYS 73 -1.004 -6.447 45.576 555 HB3 LYS 73 HB3 LYS 73 -0.855 -5.454 47.023 556 HG2 LYS 73 HG2 LYS 73 1.397 -6.388 47.445 557 HG3 LYS 73 HG3 LYS 73 1.208 -7.477 46.051 558 HD2 LYS 73 HD2 LYS 73 1.039 -5.496 44.546 559 HD3 LYS 73 HD3 LYS 73 1.152 -4.429 45.943 560 HE2 LYS 73 HE2 LYS 73 3.296 -4.465 44.928 561 HE3 LYS 73 HE3 LYS 73 3.418 -5.337 46.447 562 HZ1 LYS 73 HZ1 LYS 73 3.330 -7.420 45.186 563 HZ2 LYS 73 HZ2 LYS 73 3.153 -6.609 43.774 564 HZ3 LYS 73 HZ3 LYS 73 4.539 -6.489 44.615 565 H LYS 74 H LYS 74 -2.518 -6.591 49.420 566 HA LYS 74 HA LYS 74 -0.307 -6.373 51.292 567 HB2 LYS 74 HB2 LYS 74 -2.162 -4.757 51.132 568 HB3 LYS 74 HB3 LYS 74 -3.290 -5.974 51.739 569 HG2 LYS 74 HG2 LYS 74 -2.036 -6.109 53.863 570 HG3 LYS 74 HG3 LYS 74 -0.846 -4.952 53.260 571 HD2 LYS 74 HD2 LYS 74 -3.809 -4.361 53.676 572 HD3 LYS 74 HD3 LYS 74 -2.527 -3.990 54.834 573 HE2 LYS 74 HE2 LYS 74 -1.422 -2.541 53.143 574 HE3 LYS 74 HE3 LYS 74 -2.735 -2.860 52.015 575 HZ1 LYS 74 HZ1 LYS 74 -3.088 -0.783 53.200 576 HZ2 LYS 74 HZ2 LYS 74 -4.263 -1.832 53.616 577 HZ3 LYS 74 HZ3 LYS 74 -3.034 -1.524 54.648 578 H HIS 75 H HIS 75 -3.092 -8.565 51.095 579 HA HIS 75 HA HIS 75 -2.753 -9.610 53.734 580 HB2 HIS 75 HB2 HIS 75 -4.915 -9.441 52.783 581 HB3 HIS 75 HB3 HIS 75 -4.444 -10.321 51.334 582 HD1 HIS 75 HD1 HIS 75 -4.977 -11.142 55.101 583 HD2 HIS 75 HD2 HIS 75 -4.867 -12.864 51.271 584 HE1 HIS 75 HE1 HIS 75 -5.736 -13.554 55.375 585 H SER 76 H SER 76 -1.944 -11.108 50.584 586 HA SER 76 HA SER 76 -1.886 -13.694 51.617 587 HB2 SER 76 HB2 SER 76 -0.716 -12.639 49.031 588 HB3 SER 76 HB3 SER 76 -1.137 -14.330 49.372 589 HG SER 76 HG SER 76 -2.853 -13.157 48.387 590 H LYS 77 H LYS 77 0.665 -11.503 51.915 591 HA LYS 77 HA LYS 77 3.006 -12.917 51.374 592 HB2 LYS 77 HB2 LYS 77 2.464 -10.935 53.621 593 HB3 LYS 77 HB3 LYS 77 4.065 -11.466 53.099 594 HG2 LYS 77 HG2 LYS 77 3.580 -10.572 50.803 595 HG3 LYS 77 HG3 LYS 77 2.038 -9.933 51.410 596 HD2 LYS 77 HD2 LYS 77 3.276 -8.557 53.082 597 HD3 LYS 77 HD3 LYS 77 4.797 -9.238 52.504 598 HE2 LYS 77 HE2 LYS 77 4.624 -7.107 51.512 599 HE3 LYS 77 HE3 LYS 77 4.337 -8.278 50.236 600 HZ1 LYS 77 HZ1 LYS 77 1.971 -7.812 50.402 601 HZ2 LYS 77 HZ2 LYS 77 2.194 -6.831 51.696 602 HZ3 LYS 77 HZ3 LYS 77 2.754 -6.405 50.220 603 H GLU 78 H GLU 78 3.943 -14.600 52.102 604 HA GLU 78 HA GLU 78 4.321 -16.563 53.047 605 HB2 GLU 78 HB2 GLU 78 5.385 -16.548 55.143 606 HB3 GLU 78 HB3 GLU 78 5.788 -15.080 54.273 607 HG2 GLU 78 HG2 GLU 78 4.290 -13.764 55.684 608 HG3 GLU 78 HG3 GLU 78 3.696 -15.221 56.484 609 H ARG 79 H ARG 79 1.287 -15.633 53.538 610 HA ARG 79 HA ARG 79 0.590 -18.073 55.145 611 HB2 ARG 79 HB2 ARG 79 -0.793 -15.366 55.129 612 HB3 ARG 79 HB3 ARG 79 -1.389 -16.822 55.932 613 HG2 ARG 79 HG2 ARG 79 0.832 -16.895 57.212 614 HG3 ARG 79 HG3 ARG 79 1.164 -15.290 56.557 615 HD2 ARG 79 HD2 ARG 79 0.255 -14.974 58.744 616 HD3 ARG 79 HD3 ARG 79 -0.963 -14.465 57.587 617 HE ARG 79 HE ARG 79 -2.370 -16.178 58.290 618 HH11 ARG 79 HH11 ARG 79 0.795 -16.838 59.678 619 HH12 ARG 79 HH12 ARG 79 0.178 -18.139 60.673 620 HH21 ARG 79 HH21 ARG 79 -3.077 -17.832 59.579 621 HH22 ARG 79 HH22 ARG 79 -1.960 -18.678 60.620 622 H CYS 80 H CYS 80 -0.135 -16.334 52.197 623 HA CYS 80 HA CYS 80 -1.658 -18.740 51.325 624 HB2 CYS 80 HB2 CYS 80 -2.416 -15.849 50.772 625 HB3 CYS 80 HB3 CYS 80 -3.071 -17.239 49.899 626 HG CYS 80 HG CYS 80 -3.097 -16.806 53.162 627 HA PRO 81 HA PRO 81 1.955 -17.939 48.479 628 HB2 PRO 81 HB2 PRO 81 2.288 -20.871 48.980 629 HB3 PRO 81 HB3 PRO 81 3.550 -19.608 48.830 630 HG2 PRO 81 HG2 PRO 81 2.903 -20.645 51.247 631 HG3 PRO 81 HG3 PRO 81 3.167 -18.876 51.070 632 HD2 PRO 81 HD2 PRO 81 0.530 -20.382 51.082 633 HD3 PRO 81 HD3 PRO 81 1.021 -18.933 52.014 634 H SER 82 H SER 82 2.342 -19.034 46.402 635 HA SER 82 HA SER 82 -0.072 -20.233 45.187 636 HB2 SER 82 HB2 SER 82 2.508 -19.264 43.935 637 HB3 SER 82 HB3 SER 82 1.037 -19.760 43.074 638 HG SER 82 HG SER 82 1.097 -17.509 43.480 639 H ILE 83 H ILE 83 2.442 -21.592 46.819 640 HA ILE 83 HA ILE 83 3.204 -23.618 44.892 641 HB ILE 83 HB ILE 83 4.559 -24.618 46.550 642 HG12 ILE 83 HG12 ILE 83 3.397 -22.692 48.603 643 HG13 ILE 83 HG13 ILE 83 3.054 -24.425 48.504 644 HG21 ILE 83 HG21 ILE 83 4.837 -21.592 46.749 645 HG22 ILE 83 HG22 ILE 83 6.123 -22.809 46.872 646 HG23 ILE 83 HG23 ILE 83 5.296 -22.564 45.336 647 HD11 ILE 83 HD11 ILE 83 5.470 -24.915 48.869 648 HD12 ILE 83 HD12 ILE 83 5.753 -23.174 49.125 649 HD13 ILE 83 HD13 ILE 83 4.692 -24.074 50.223 650 H TRP 84 H TRP 84 3.034 -25.835 45.124 651 HA TRP 84 HA TRP 84 0.354 -26.396 44.726 652 HB2 TRP 84 HB2 TRP 84 2.610 -28.415 44.787 653 HB3 TRP 84 HB3 TRP 84 1.152 -28.449 43.798 654 HD1 TRP 84 HD1 TRP 84 1.132 -26.994 41.608 655 HE1 TRP 84 HE1 TRP 84 2.857 -25.617 40.325 656 HE3 TRP 84 HE3 TRP 84 4.917 -27.005 45.056 657 HZ2 TRP 84 HZ2 TRP 84 5.463 -24.490 40.791 658 HZ3 TRP 84 HZ3 TRP 84 6.967 -25.675 44.644 659 HH2 TRP 84 HH2 TRP 84 7.252 -24.418 42.527 660 H ARG 85 H ARG 85 1.939 -26.848 47.697 661 HA ARG 85 HA ARG 85 -0.300 -28.546 48.703 662 HB2 ARG 85 HB2 ARG 85 2.063 -29.654 48.300 663 HB3 ARG 85 HB3 ARG 85 2.480 -28.879 49.823 664 HG2 ARG 85 HG2 ARG 85 0.541 -30.101 50.901 665 HG3 ARG 85 HG3 ARG 85 0.182 -30.838 49.329 666 HD2 ARG 85 HD2 ARG 85 2.471 -31.828 49.298 667 HD3 ARG 85 HD3 ARG 85 2.784 -31.165 50.894 668 HE ARG 85 HE ARG 85 1.219 -33.528 50.203 669 HH11 ARG 85 HH11 ARG 85 1.603 -31.137 52.752 670 HH12 ARG 85 HH12 ARG 85 0.992 -32.226 53.980 671 HH21 ARG 85 HH21 ARG 85 0.498 -34.865 51.814 672 HH22 ARG 85 HH22 ARG 85 0.394 -34.286 53.456 673 H ALA 86 H ALA 86 0.386 -25.535 48.825 674 HA ALA 86 HA ALA 86 0.681 -25.011 51.680 675 HB1 ALA 86 HB1 ALA 86 1.505 -23.416 50.038 676 HB2 ALA 86 HB2 ALA 86 -0.131 -23.212 49.362 677 HB3 ALA 86 HB3 ALA 86 0.227 -22.677 51.016 678 H TYR 87 H TYR 87 -2.060 -25.349 49.464 679 HA TYR 87 HA TYR 87 -3.986 -25.061 51.723 680 HB2 TYR 87 HB2 TYR 87 -4.388 -23.790 49.599 681 HB3 TYR 87 HB3 TYR 87 -4.569 -25.326 48.759 682 HD1 TYR 87 HD1 TYR 87 -5.885 -23.295 51.625 683 HD2 TYR 87 HD2 TYR 87 -6.725 -26.400 48.753 684 HE1 TYR 87 HE1 TYR 87 -8.265 -23.338 52.360 685 HE2 TYR 87 HE2 TYR 87 -9.099 -26.433 49.483 686 HH TYR 87 HH TYR 87 -10.654 -25.495 50.959 687 H ILE 88 H ILE 88 -5.697 -26.735 51.874 688 HA ILE 88 HA ILE 88 -4.465 -29.304 52.176 689 HB ILE 88 HB ILE 88 -6.667 -30.093 52.917 690 HG12 ILE 88 HG12 ILE 88 -7.684 -27.262 52.420 691 HG13 ILE 88 HG13 ILE 88 -8.088 -28.657 51.416 692 HG21 ILE 88 HG21 ILE 88 -6.678 -28.820 54.975 693 HG22 ILE 88 HG22 ILE 88 -5.015 -28.981 54.420 694 HG23 ILE 88 HG23 ILE 88 -5.875 -27.445 54.191 695 HD11 ILE 88 HD11 ILE 88 -8.820 -28.290 54.345 696 HD12 ILE 88 HD12 ILE 88 -9.901 -28.269 52.943 697 HD13 ILE 88 HD13 ILE 88 -9.097 -29.780 53.409 698 H LEU 89 H LEU 89 -4.828 -31.254 51.270 699 HA LEU 89 HA LEU 89 -5.900 -31.308 48.501 700 HB2 LEU 89 HB2 LEU 89 -4.522 -33.368 48.241 701 HB3 LEU 89 HB3 LEU 89 -3.662 -31.861 48.476 702 HG LEU 89 HG LEU 89 -3.139 -32.457 50.806 703 HD11 LEU 89 HD11 LEU 89 -4.580 -35.063 50.179 704 HD12 LEU 89 HD12 LEU 89 -3.504 -34.811 51.568 705 HD13 LEU 89 HD13 LEU 89 -5.000 -33.880 51.451 706 HD21 LEU 89 HD21 LEU 89 -1.560 -34.269 50.292 707 HD22 LEU 89 HD22 LEU 89 -2.437 -34.618 48.785 708 HD23 LEU 89 HD23 LEU 89 -1.602 -33.064 48.993 709 H VAL 90 H VAL 90 -7.428 -31.516 51.086 710 HA VAL 90 HA VAL 90 -9.120 -32.667 52.061 711 HB VAL 90 HB VAL 90 -11.017 -33.073 50.595 712 HG11 VAL 90 HG11 VAL 90 -11.238 -30.804 49.768 713 HG12 VAL 90 HG12 VAL 90 -10.442 -30.799 51.347 714 HG13 VAL 90 HG13 VAL 90 -9.487 -30.547 49.869 715 HG21 VAL 90 HG21 VAL 90 -10.951 -32.734 48.210 716 HG22 VAL 90 HG22 VAL 90 -9.210 -32.409 48.233 717 HG23 VAL 90 HG23 VAL 90 -9.820 -34.038 48.603 718 H ASP 91 H ASP 91 -6.915 -34.352 51.852 719 HA ASP 91 HA ASP 91 -6.137 -36.434 51.811 720 HB2 ASP 91 HB2 ASP 91 -7.164 -38.003 53.314 721 HB3 ASP 91 HB3 ASP 91 -7.110 -36.382 53.950 722 H ASP 92 H ASP 92 -7.583 -35.814 49.364 723 HA ASP 92 HA ASP 92 -7.874 -38.586 48.284 724 HB2 ASP 92 HB2 ASP 92 -10.104 -37.688 48.933 725 HB3 ASP 92 HB3 ASP 92 -9.845 -36.311 47.871 726 H ASN 93 H ASN 93 -7.102 -35.178 47.630 727 HA ASN 93 HA ASN 93 -6.632 -35.626 44.783 728 HB2 ASN 93 HB2 ASN 93 -7.569 -33.512 45.564 729 HB3 ASN 93 HB3 ASN 93 -6.171 -33.228 46.602 730 HD21 ASN 93 HD22 ASN 93 -7.048 -33.710 43.127 731 HD22 ASN 93 HD21 ASN 93 -5.746 -32.680 42.550 732 H GLU 94 H GLU 94 -4.622 -35.414 43.714 733 HA GLU 94 HA GLU 94 -2.148 -35.900 45.294 734 HB2 GLU 94 HB2 GLU 94 -3.134 -38.079 44.722 735 HB3 GLU 94 HB3 GLU 94 -3.198 -37.626 43.018 736 HG2 GLU 94 HG2 GLU 94 -0.737 -37.512 42.937 737 HG3 GLU 94 HG3 GLU 94 -0.649 -37.849 44.665 738 H LYS 95 H LYS 95 -0.328 -35.056 44.442 739 HA LYS 95 HA LYS 95 -0.356 -33.789 41.728 740 HB2 LYS 95 HB2 LYS 95 1.192 -33.034 44.245 741 HB3 LYS 95 HB3 LYS 95 1.690 -32.552 42.637 742 HG2 LYS 95 HG2 LYS 95 0.580 -30.717 43.476 743 HG3 LYS 95 HG3 LYS 95 -0.504 -31.422 42.281 744 HD2 LYS 95 HD2 LYS 95 -1.874 -32.399 44.140 745 HD3 LYS 95 HD3 LYS 95 -0.739 -31.686 45.315 746 HE2 LYS 95 HE2 LYS 95 -1.225 -29.430 44.330 747 HE3 LYS 95 HE3 LYS 95 -2.395 -30.181 43.246 748 HZ1 LYS 95 HZ1 LYS 95 -3.494 -29.266 45.183 749 HZ2 LYS 95 HZ2 LYS 95 -3.639 -30.887 45.197 750 HZ3 LYS 95 HZ3 LYS 95 -2.571 -30.153 46.205 751 H ALA 96 H ALA 96 1.372 -34.158 40.369 752 HA ALA 96 HA ALA 96 3.012 -36.565 40.978 753 HB1 ALA 96 HB1 ALA 96 1.551 -36.629 39.016 754 HB2 ALA 96 HB2 ALA 96 2.387 -35.217 38.331 755 HB3 ALA 96 HB3 ALA 96 3.258 -36.747 38.566 756 H LYS 97 H LYS 97 3.465 -33.135 40.752 757 HA LYS 97 HA LYS 97 6.310 -33.302 40.041 758 HB2 LYS 97 HB2 LYS 97 4.786 -31.378 39.398 759 HB3 LYS 97 HB3 LYS 97 4.788 -30.895 41.096 760 HG2 LYS 97 HG2 LYS 97 7.361 -30.783 40.927 761 HG3 LYS 97 HG3 LYS 97 7.169 -31.101 39.201 762 HD2 LYS 97 HD2 LYS 97 7.446 -28.748 39.437 763 HD3 LYS 97 HD3 LYS 97 5.756 -29.025 39.033 764 HE2 LYS 97 HE2 LYS 97 5.845 -27.350 40.732 765 HE3 LYS 97 HE3 LYS 97 5.166 -28.796 41.458 766 HZ1 LYS 97 HZ1 LYS 97 7.330 -29.224 42.482 767 HZ2 LYS 97 HZ2 LYS 97 8.000 -27.938 41.733 768 HZ3 LYS 97 HZ3 LYS 97 6.843 -27.724 42.866 769 HA PRO 98 HA PRO 98 7.589 -33.769 44.347 770 HB2 PRO 98 HB2 PRO 98 10.261 -33.228 44.160 771 HB3 PRO 98 HB3 PRO 98 9.522 -34.731 43.539 772 HG2 PRO 98 HG2 PRO 98 10.144 -32.201 41.978 773 HG3 PRO 98 HG3 PRO 98 10.613 -33.885 41.576 774 HD2 PRO 98 HD2 PRO 98 8.424 -32.764 40.472 775 HD3 PRO 98 HD3 PRO 98 8.383 -34.464 41.012 776 H LYS 99 H LYS 99 8.329 -32.538 46.105 777 HA LYS 99 HA LYS 99 7.898 -29.622 46.011 778 HB2 LYS 99 HB2 LYS 99 6.892 -31.075 47.744 779 HB3 LYS 99 HB3 LYS 99 8.498 -31.552 48.291 780 HG2 LYS 99 HG2 LYS 99 8.971 -29.221 48.978 781 HG3 LYS 99 HG3 LYS 99 7.377 -28.718 48.377 782 HD2 LYS 99 HD2 LYS 99 6.282 -30.185 50.035 783 HD3 LYS 99 HD3 LYS 99 7.866 -30.777 50.578 784 HE2 LYS 99 HE2 LYS 99 8.489 -28.433 51.191 785 HE3 LYS 99 HE3 LYS 99 6.876 -27.900 50.736 786 HZ1 LYS 99 HZ1 LYS 99 7.022 -28.290 53.115 787 HZ2 LYS 99 HZ2 LYS 99 5.986 -29.375 52.478 788 HZ3 LYS 99 HZ3 LYS 99 7.498 -29.830 52.904 789 H VAL 100 H VAL 100 10.596 -31.810 46.105 790 HA VAL 100 HA VAL 100 12.541 -29.602 46.675 791 HB VAL 100 HB VAL 100 12.658 -32.504 47.575 792 HG11 VAL 100 HG11 VAL 100 14.654 -31.798 48.881 793 HG12 VAL 100 HG12 VAL 100 14.938 -31.713 47.148 794 HG13 VAL 100 HG13 VAL 100 14.621 -30.220 48.070 795 HG21 VAL 100 HG21 VAL 100 12.294 -29.926 49.166 796 HG22 VAL 100 HG22 VAL 100 11.076 -31.201 48.942 797 HG23 VAL 100 HG23 VAL 100 12.538 -31.540 49.864 798 H LEU 101 H LEU 101 14.465 -29.600 45.555 799 HA LEU 101 HA LEU 101 14.700 -31.379 43.169 800 HB2 LEU 101 HB2 LEU 101 15.258 -28.397 43.436 801 HB3 LEU 101 HB3 LEU 101 15.681 -29.344 42.022 802 HG LEU 101 HG LEU 101 12.838 -28.882 43.033 803 HD11 LEU 101 HD11 LEU 101 13.905 -26.866 42.093 804 HD12 LEU 101 HD12 LEU 101 14.313 -27.764 40.615 805 HD13 LEU 101 HD13 LEU 101 12.613 -27.469 41.044 806 HD21 LEU 101 HD21 LEU 101 12.951 -31.030 41.852 807 HD22 LEU 101 HD22 LEU 101 12.175 -29.829 40.818 808 HD23 LEU 101 HD23 LEU 101 13.867 -30.280 40.522 809 HA PRO 102 HA PRO 102 18.719 -32.549 44.261 810 HB2 PRO 102 HB2 PRO 102 19.790 -31.468 41.654 811 HB3 PRO 102 HB3 PRO 102 20.064 -33.072 42.404 812 HG2 PRO 102 HG2 PRO 102 18.261 -32.823 40.415 813 HG3 PRO 102 HG3 PRO 102 17.826 -33.770 41.877 814 HD2 PRO 102 HD2 PRO 102 17.106 -30.908 41.206 815 HD3 PRO 102 HD3 PRO 102 16.057 -32.222 41.820 816 H PHE 103 H PHE 103 20.841 -32.041 44.924 817 HA PHE 103 HA PHE 103 21.301 -29.173 45.571 818 HB2 PHE 103 HB2 PHE 103 22.144 -31.765 46.896 819 HB3 PHE 103 HB3 PHE 103 22.827 -30.215 47.331 820 HD1 PHE 103 HD1 PHE 103 19.598 -32.114 47.216 821 HD2 PHE 103 HD2 PHE 103 21.710 -28.689 48.768 822 HE1 PHE 103 HE1 PHE 103 17.719 -31.648 48.762 823 HE2 PHE 103 HE2 PHE 103 19.832 -28.241 50.321 824 HZ PHE 103 HZ PHE 103 17.835 -29.718 50.321 825 H HIS 104 H HIS 104 23.555 -28.493 45.813 826 HA HIS 104 HA HIS 104 25.543 -27.915 44.980 827 HB2 HIS 104 HB2 HIS 104 25.981 -30.853 44.445 828 HB3 HIS 104 HB3 HIS 104 27.202 -29.626 44.765 829 HD1 HIS 104 HD1 HIS 104 25.455 -32.261 46.543 830 HD2 HIS 104 HD2 HIS 104 26.729 -28.352 47.396 831 HE1 HIS 104 HE1 HIS 104 25.535 -32.076 49.075 832 H THR 105 H THR 105 23.363 -28.028 42.921 833 HA THR 105 HA THR 105 24.750 -28.386 40.356 834 HB THR 105 HB THR 105 22.541 -27.486 39.501 835 HG1 THR 105 HG1 THR 105 20.966 -27.262 41.105 836 HG21 THR 105 HG21 THR 105 22.206 -29.797 41.468 837 HG22 THR 105 HG22 THR 105 21.226 -29.448 40.027 838 HG23 THR 105 HG23 THR 105 22.911 -29.953 39.845 839 H ILE 106 H ILE 106 24.540 -25.859 42.649 840 HA ILE 106 HA ILE 106 24.705 -23.639 40.703 841 HB ILE 106 HB ILE 106 24.486 -23.709 43.728 842 HG12 ILE 106 HG12 ILE 106 22.477 -22.886 41.577 843 HG13 ILE 106 HG13 ILE 106 22.455 -24.425 42.430 844 HG21 ILE 106 HG21 ILE 106 25.733 -21.691 43.079 845 HG22 ILE 106 HG22 ILE 106 24.480 -21.291 41.871 846 HG23 ILE 106 HG23 ILE 106 24.123 -21.254 43.610 847 HD11 ILE 106 HD11 ILE 106 21.937 -21.697 43.653 848 HD12 ILE 106 HD12 ILE 106 20.814 -23.045 43.442 849 HD13 ILE 106 HD13 ILE 106 22.152 -23.197 44.595 850 H TYR 107 H TYR 107 26.474 -22.286 40.439 851 HA TYR 107 HA TYR 107 29.059 -23.040 41.694 852 HB2 TYR 107 HB2 TYR 107 30.135 -23.339 39.601 853 HB3 TYR 107 HB3 TYR 107 28.736 -24.394 39.616 854 HD1 TYR 107 HD1 TYR 107 26.710 -23.810 38.204 855 HD2 TYR 107 HD2 TYR 107 30.378 -21.544 38.009 856 HE1 TYR 107 HE1 TYR 107 25.965 -22.783 36.068 857 HE2 TYR 107 HE2 TYR 107 29.631 -20.535 35.861 858 HH TYR 107 HH TYR 107 26.559 -21.294 34.354 859 H CYS 108 H CYS 108 30.758 -21.536 41.433 860 HA CYS 108 HA CYS 108 30.228 -18.955 40.133 861 HB2 CYS 108 HB2 CYS 108 29.440 -18.907 42.601 862 HB3 CYS 108 HB3 CYS 108 31.163 -18.910 43.013 863 HG CYS 108 HG CYS 108 29.475 -16.843 41.028 864 H TYR 109 H TYR 109 31.904 -21.032 39.311 865 HA TYR 109 HA TYR 109 34.595 -20.879 40.119 866 HB2 TYR 109 HB2 TYR 109 33.431 -21.630 37.419 867 HB3 TYR 109 HB3 TYR 109 35.059 -22.004 37.948 868 HD1 TYR 109 HD1 TYR 109 35.079 -23.208 40.442 869 HD2 TYR 109 HD2 TYR 109 32.006 -23.474 37.426 870 HE1 TYR 109 HE1 TYR 109 34.396 -25.421 41.334 871 HE2 TYR 109 HE2 TYR 109 31.304 -25.676 38.346 872 HH TYR 109 HH TYR 109 32.915 -27.215 41.061 873 H ASN 110 H ASN 110 32.963 -18.420 38.396 874 HA ASN 110 HA ASN 110 35.161 -17.277 36.918 875 HB2 ASN 110 HB2 ASN 110 32.704 -16.774 36.632 876 HB3 ASN 110 HB3 ASN 110 32.727 -15.956 38.194 877 HD21 ASN 110 HD22 ASN 110 32.732 -13.744 37.871 878 HD22 ASN 110 HD21 ASN 110 33.634 -12.948 36.587 879 H CYS 111 H CYS 111 34.455 -17.420 40.304 880 HA CYS 111 HA CYS 111 36.396 -15.279 41.042 881 HB2 CYS 111 HB2 CYS 111 34.067 -16.600 42.474 882 HB3 CYS 111 HB3 CYS 111 35.192 -15.499 43.282 883 HG CYS 111 HG CYS 111 33.405 -14.913 40.581 884 H GLY 112 H GLY 112 37.448 -15.781 43.245 885 HA2 GLY 112 HA2 GLY 112 39.273 -17.952 42.992 886 HA3 GLY 112 HA3 GLY 112 39.067 -16.908 44.398 887 H GLY 113 H GLY 113 36.068 -18.125 44.163 888 HA2 GLY 113 HA2 GLY 113 36.412 -20.903 44.907 889 HA3 GLY 113 HA3 GLY 113 35.924 -19.897 46.272 890 H LYS 114 H LYS 114 34.440 -22.034 45.047 891 HA LYS 114 HA LYS 114 32.325 -20.888 43.382 892 HB2 LYS 114 HB2 LYS 114 31.563 -23.157 43.132 893 HB3 LYS 114 HB3 LYS 114 33.315 -23.114 42.953 894 HG2 LYS 114 HG2 LYS 114 33.535 -23.905 45.340 895 HG3 LYS 114 HG3 LYS 114 31.769 -24.017 45.429 896 HD2 LYS 114 HD2 LYS 114 31.801 -25.671 43.562 897 HD3 LYS 114 HD3 LYS 114 33.579 -25.589 43.553 898 HE2 LYS 114 HE2 LYS 114 33.597 -26.289 45.944 899 HE3 LYS 114 HE3 LYS 114 31.843 -26.407 45.920 900 HZ1 LYS 114 HZ1 LYS 114 32.869 -28.566 45.579 901 HZ2 LYS 114 HZ2 LYS 114 32.050 -28.154 44.232 902 HZ3 LYS 114 HZ3 LYS 114 33.684 -28.048 44.270 903 H GLY 115 H GLY 115 32.665 -21.410 46.758 904 HA2 GLY 115 HA2 GLY 115 30.014 -22.237 47.384 905 HA3 GLY 115 HA3 GLY 115 31.268 -21.779 48.525 906 H HIS 116 H HIS 116 29.774 -19.614 46.097 907 HA HIS 116 HA HIS 116 28.109 -18.277 48.087 908 HB2 HIS 116 HB2 HIS 116 29.122 -16.088 47.922 909 HB3 HIS 116 HB3 HIS 116 30.290 -17.236 48.551 910 HD1 HIS 116 HD1 HIS 116 30.387 -17.749 44.933 911 HD2 HIS 116 HD2 HIS 116 31.714 -14.797 47.568 912 HE1 HIS 116 HE1 HIS 116 32.451 -16.758 43.864 913 H PHE 117 H PHE 117 26.604 -16.937 47.288 914 HA PHE 117 HA PHE 117 25.126 -15.988 45.804 915 HB2 PHE 117 HB2 PHE 117 27.818 -14.754 45.205 916 HB3 PHE 117 HB3 PHE 117 26.258 -13.968 44.957 917 HD1 PHE 117 HD2 PHE 117 24.700 -14.324 47.318 918 HD2 PHE 117 HD1 PHE 117 28.953 -13.712 46.958 919 HE1 PHE 117 HE2 PHE 117 24.764 -13.382 49.609 920 HE2 PHE 117 HE1 PHE 117 29.007 -12.773 49.252 921 HZ PHE 117 HZ PHE 117 26.916 -12.610 50.581 922 H GLY 118 H GLY 118 26.000 -18.449 44.452 923 HA2 GLY 118 HA2 GLY 118 26.935 -18.093 41.893 924 HA3 GLY 118 HA3 GLY 118 25.955 -19.466 42.393 925 H ASP 119 H ASP 119 23.688 -17.415 42.895 926 HA ASP 119 HA ASP 119 22.379 -17.486 40.292 927 HB2 ASP 119 HB2 ASP 119 21.717 -16.138 42.938 928 HB3 ASP 119 HB3 ASP 119 20.647 -16.149 41.548 929 H ASP 120 H ASP 120 23.772 -14.925 42.332 930 HA ASP 120 HA ASP 120 22.964 -12.830 40.396 931 HB2 ASP 120 HB2 ASP 120 22.971 -11.366 42.336 932 HB3 ASP 120 HB3 ASP 120 21.945 -12.763 42.600 933 H CYS 121 H CYS 121 25.851 -14.185 41.779 934 HA CYS 121 HA CYS 121 27.419 -11.806 41.668 935 HB2 CYS 121 HB2 CYS 121 27.565 -13.809 43.221 936 HB3 CYS 121 HB3 CYS 121 28.440 -14.650 41.930 937 HG CYS 121 HG CYS 121 30.121 -12.555 41.634 938 H LYS 122 H LYS 122 26.448 -13.712 39.117 939 HA LYS 122 HA LYS 122 28.751 -13.259 37.323 940 HB2 LYS 122 HB2 LYS 122 25.971 -14.372 36.785 941 HB3 LYS 122 HB3 LYS 122 27.305 -14.327 35.628 942 HG2 LYS 122 HG2 LYS 122 28.631 -15.853 36.983 943 HG3 LYS 122 HG3 LYS 122 27.401 -15.846 38.263 944 HD2 LYS 122 HD2 LYS 122 25.753 -16.848 36.712 945 HD3 LYS 122 HD3 LYS 122 26.943 -16.814 35.408 946 HE2 LYS 122 HE2 LYS 122 26.803 -19.046 36.333 947 HE3 LYS 122 HE3 LYS 122 28.395 -18.366 36.643 948 HZ1 LYS 122 HZ1 LYS 122 27.669 -17.878 38.923 949 HZ2 LYS 122 HZ2 LYS 122 26.187 -18.465 38.627 950 HZ3 LYS 122 HZ3 LYS 122 27.461 -19.462 38.626 951 H GLU 123 H GLU 123 28.079 -10.892 38.389 952 HA GLU 123 HA GLU 123 25.882 -9.579 37.090 953 HB2 GLU 123 HB2 GLU 123 26.382 -7.701 38.474 954 HB3 GLU 123 HB3 GLU 123 26.527 -9.179 39.420 955 HG2 GLU 123 HG2 GLU 123 28.999 -9.076 39.211 956 HG3 GLU 123 HG3 GLU 123 28.866 -7.608 38.252 957 H LYS 124 H LYS 124 29.075 -9.898 35.959 958 HA LYS 124 HA LYS 124 28.617 -7.900 33.832 959 HB2 LYS 124 HB2 LYS 124 29.892 -6.762 35.685 960 HB3 LYS 124 HB3 LYS 124 31.152 -7.977 35.530 961 HG2 LYS 124 HG2 LYS 124 31.832 -5.963 34.406 962 HG3 LYS 124 HG3 LYS 124 31.584 -7.219 33.194 963 HD2 LYS 124 HD2 LYS 124 29.362 -6.213 32.622 964 HD3 LYS 124 HD3 LYS 124 29.577 -5.034 33.918 965 HE2 LYS 124 HE2 LYS 124 30.113 -3.925 31.894 966 HE3 LYS 124 HE3 LYS 124 31.622 -4.176 32.758 967 HZ1 LYS 124 HZ1 LYS 124 31.815 -4.730 30.397 968 HZ2 LYS 124 HZ2 LYS 124 32.067 -6.071 31.285 969 HZ3 LYS 124 HZ3 LYS 124 30.642 -5.855 30.510 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -19.429 9.345 -2.247 2 H2 LYS 1 H2 LYS 1 -18.360 9.725 -1.058 3 H3 LYS 1 H3 LYS 1 -18.625 10.770 -2.284 4 HA LYS 1 HA LYS 1 -20.904 11.120 -1.587 5 HB2 LYS 1 HB2 LYS 1 -20.127 9.309 0.738 6 HB3 LYS 1 HB3 LYS 1 -21.586 10.294 0.665 7 HG2 LYS 1 HG2 LYS 1 -22.237 9.072 -1.451 8 HG3 LYS 1 HG3 LYS 1 -20.903 7.953 -1.154 9 HD2 LYS 1 HD2 LYS 1 -23.259 8.469 0.712 10 HD3 LYS 1 HD3 LYS 1 -23.075 7.085 -0.368 11 HE2 LYS 1 HE2 LYS 1 -21.025 6.401 0.855 12 HE3 LYS 1 HE3 LYS 1 -21.227 7.758 1.957 13 HZ1 LYS 1 HZ1 LYS 1 -22.155 5.709 2.872 14 HZ2 LYS 1 HZ2 LYS 1 -23.343 6.804 2.662 15 HZ3 LYS 1 HZ3 LYS 1 -23.184 5.556 1.620 16 H GLU 2 H GLU 2 -21.509 12.688 0.108 17 HA GLU 2 HA GLU 2 -19.398 14.556 0.670 18 HB2 GLU 2 HB2 GLU 2 -21.743 15.166 0.190 19 HB3 GLU 2 HB3 GLU 2 -22.254 14.414 1.696 20 HG2 GLU 2 HG2 GLU 2 -22.151 16.837 1.900 21 HG3 GLU 2 HG3 GLU 2 -21.016 16.080 2.995 22 H ALA 3 H ALA 3 -18.542 15.233 2.658 23 HA ALA 3 HA ALA 3 -17.969 12.973 4.435 24 HB1 ALA 3 HB1 ALA 3 -16.145 14.195 3.335 25 HB2 ALA 3 HB2 ALA 3 -16.635 15.690 4.164 26 HB3 ALA 3 HB3 ALA 3 -16.037 14.306 5.099 27 H ALA 4 H ALA 4 -20.017 12.955 5.552 28 HA ALA 4 HA ALA 4 -20.881 15.002 7.331 29 HB1 ALA 4 HB1 ALA 4 -22.074 13.124 8.479 30 HB2 ALA 4 HB2 ALA 4 -22.360 13.212 6.732 31 HB3 ALA 4 HB3 ALA 4 -21.276 11.979 7.384 32 HA PRO 5 HA PRO 5 -18.174 13.264 10.810 33 HB2 PRO 5 HB2 PRO 5 -16.392 11.247 10.512 34 HB3 PRO 5 HB3 PRO 5 -18.141 10.954 10.714 35 HG2 PRO 5 HG2 PRO 5 -16.623 11.086 8.068 36 HG3 PRO 5 HG3 PRO 5 -17.707 9.781 8.661 37 HD2 PRO 5 HD2 PRO 5 -18.601 11.724 7.029 38 HD3 PRO 5 HD3 PRO 5 -19.600 11.125 8.394 39 H LYS 6 H LYS 6 -16.494 13.342 7.726 40 HA LYS 6 HA LYS 6 -14.495 13.828 6.957 41 HB2 LYS 6 HB2 LYS 6 -13.759 16.085 7.091 42 HB3 LYS 6 HB3 LYS 6 -15.488 15.944 6.964 43 HG2 LYS 6 HG2 LYS 6 -15.188 17.729 8.368 44 HG3 LYS 6 HG3 LYS 6 -15.674 16.443 9.440 45 HD2 LYS 6 HD2 LYS 6 -12.843 16.314 9.464 46 HD3 LYS 6 HD3 LYS 6 -13.161 18.024 9.285 47 HE2 LYS 6 HE2 LYS 6 -14.402 16.249 11.433 48 HE3 LYS 6 HE3 LYS 6 -12.974 17.229 11.684 49 HZ1 LYS 6 HZ1 LYS 6 -14.323 19.215 11.226 50 HZ2 LYS 6 HZ2 LYS 6 -15.654 18.296 10.991 51 HZ3 LYS 6 HZ3 LYS 6 -14.959 18.362 12.457 52 H CYS 7 H CYS 7 -14.034 14.217 10.432 53 HA CYS 7 HA CYS 7 -11.781 12.397 10.683 54 HB2 CYS 7 HB2 CYS 7 -11.341 15.392 10.693 55 HB3 CYS 7 HB3 CYS 7 -10.420 14.344 11.788 56 HG CYS 7 HG CYS 7 -10.706 13.997 8.546 57 H ASN 8 H ASN 8 -11.145 12.291 13.089 58 HA ASN 8 HA ASN 8 -13.540 12.465 14.730 59 HB2 ASN 8 HB2 ASN 8 -11.986 10.539 14.955 60 HB3 ASN 8 HB3 ASN 8 -10.714 11.614 15.486 61 HD21 ASN 8 HD22 ASN 8 -10.767 10.038 17.363 62 HD22 ASN 8 HD21 ASN 8 -11.899 10.413 18.659 63 H ASN 9 H ASN 9 -10.558 13.461 16.283 64 HA ASN 9 HA ASN 9 -11.729 16.084 17.019 65 HB2 ASN 9 HB2 ASN 9 -10.687 14.488 18.690 66 HB3 ASN 9 HB3 ASN 9 -9.134 14.758 17.897 67 HD21 ASN 9 HD22 ASN 9 -8.305 15.573 19.930 68 HD22 ASN 9 HD21 ASN 9 -8.770 17.176 20.490 69 H CYS 10 H CYS 10 -9.419 14.693 14.871 70 HA CYS 10 HA CYS 10 -8.078 17.108 13.964 71 HB2 CYS 10 HB2 CYS 10 -7.182 14.814 13.786 72 HB3 CYS 10 HB3 CYS 10 -8.514 14.341 12.743 73 HG CYS 10 HG CYS 10 -6.051 16.480 12.261 74 H SER 11 H SER 11 -8.471 17.905 11.657 75 HA SER 11 HA SER 11 -11.403 18.250 11.157 76 HB2 SER 11 HB2 SER 11 -10.860 20.667 10.953 77 HB3 SER 11 HB3 SER 11 -10.484 20.007 12.552 78 HG SER 11 HG SER 11 -8.738 21.185 11.702 79 H GLN 12 H GLN 12 -9.099 16.836 9.521 80 HA GLN 12 HA GLN 12 -9.301 18.307 6.957 81 HB2 GLN 12 HB2 GLN 12 -7.905 15.721 7.728 82 HB3 GLN 12 HB3 GLN 12 -7.914 16.418 6.102 83 HG2 GLN 12 HG2 GLN 12 -6.881 18.500 6.988 84 HG3 GLN 12 HG3 GLN 12 -6.779 17.768 8.589 85 HE21 GLN 12 HE22 GLN 12 -4.440 18.682 7.538 86 HE22 GLN 12 HE21 GLN 12 -3.451 17.330 6.997 87 H ARG 13 H ARG 13 -9.987 17.155 4.993 88 HA ARG 13 HA ARG 13 -12.386 15.420 5.381 89 HB2 ARG 13 HB2 ARG 13 -11.312 17.063 3.072 90 HB3 ARG 13 HB3 ARG 13 -12.549 15.825 2.840 91 HG2 ARG 13 HG2 ARG 13 -14.073 16.908 4.341 92 HG3 ARG 13 HG3 ARG 13 -12.868 18.101 4.845 93 HD2 ARG 13 HD2 ARG 13 -12.912 19.232 2.778 94 HD3 ARG 13 HD3 ARG 13 -13.616 17.867 1.925 95 HE ARG 13 HE ARG 13 -15.054 19.814 3.653 96 HH11 ARG 13 HH11 ARG 13 -15.295 16.907 1.629 97 HH12 ARG 13 HH12 ARG 13 -17.053 17.033 1.664 98 HH21 ARG 13 HH22 ARG 13 -17.324 19.785 3.567 99 HH22 ARG 13 HH21 ARG 13 -18.073 18.479 2.652 100 H GLY 14 H GLY 14 -11.930 13.377 5.634 101 HA2 GLY 14 HA2 GLY 14 -11.539 11.265 4.433 102 HA3 GLY 14 HA3 GLY 14 -10.068 11.950 3.751 103 H HIS 15 H HIS 15 -10.257 9.532 5.219 104 HA HIS 15 HA HIS 15 -9.850 8.358 7.038 105 HB2 HIS 15 HB2 HIS 15 -7.799 8.361 8.025 106 HB3 HIS 15 HB3 HIS 15 -7.555 8.923 6.390 107 HD1 HIS 15 HD1 HIS 15 -6.444 11.405 6.181 108 HD2 HIS 15 HD2 HIS 15 -7.307 10.018 10.044 109 HE1 HIS 15 HE1 HIS 15 -5.236 12.962 7.786 110 H LEU 16 H LEU 16 -11.948 9.153 7.445 111 HA LEU 16 HA LEU 16 -12.553 11.152 9.349 112 HB2 LEU 16 HB2 LEU 16 -14.811 10.410 9.190 113 HB3 LEU 16 HB3 LEU 16 -14.069 10.576 7.628 114 HG LEU 16 HG LEU 16 -15.665 8.759 7.721 115 HD11 LEU 16 HD11 LEU 16 -12.924 7.542 7.289 116 HD12 LEU 16 HD12 LEU 16 -14.465 7.084 6.560 117 HD13 LEU 16 HD13 LEU 16 -13.747 8.643 6.138 118 HD21 LEU 16 HD21 LEU 16 -15.368 7.982 10.044 119 HD22 LEU 16 HD22 LEU 16 -15.310 6.679 8.858 120 HD23 LEU 16 HD23 LEU 16 -13.799 7.248 9.575 121 H LYS 17 H LYS 17 -14.434 10.152 11.075 122 HA LYS 17 HA LYS 17 -13.210 10.158 13.389 123 HB2 LYS 17 HB2 LYS 17 -15.757 9.882 12.715 124 HB3 LYS 17 HB3 LYS 17 -15.548 8.227 13.228 125 HG2 LYS 17 HG2 LYS 17 -14.974 10.730 14.868 126 HG3 LYS 17 HG3 LYS 17 -16.430 9.762 14.985 127 HD2 LYS 17 HD2 LYS 17 -13.618 8.853 15.758 128 HD3 LYS 17 HD3 LYS 17 -14.869 9.373 16.859 129 HE2 LYS 17 HE2 LYS 17 -15.088 6.920 15.056 130 HE3 LYS 17 HE3 LYS 17 -14.561 6.904 16.728 131 HZ1 LYS 17 HZ1 LYS 17 -16.722 7.801 17.378 132 HZ2 LYS 17 HZ2 LYS 17 -17.249 7.779 15.831 133 HZ3 LYS 17 HZ3 LYS 17 -16.898 6.386 16.600 134 H LYS 18 H LYS 18 -14.193 6.931 12.241 135 HA LYS 18 HA LYS 18 -12.489 5.475 14.069 136 HB2 LYS 18 HB2 LYS 18 -13.414 3.498 12.983 137 HB3 LYS 18 HB3 LYS 18 -14.673 4.661 13.389 138 HG2 LYS 18 HG2 LYS 18 -14.787 5.412 11.038 139 HG3 LYS 18 HG3 LYS 18 -13.432 4.360 10.615 140 HD2 LYS 18 HD2 LYS 18 -15.481 3.353 9.878 141 HD3 LYS 18 HD3 LYS 18 -14.794 2.371 11.178 142 HE2 LYS 18 HE2 LYS 18 -16.386 3.401 12.785 143 HE3 LYS 18 HE3 LYS 18 -17.037 4.412 11.500 144 HZ1 LYS 18 HZ1 LYS 18 -17.757 2.382 10.361 145 HZ2 LYS 18 HZ2 LYS 18 -17.160 1.449 11.562 146 HZ3 LYS 18 HZ3 LYS 18 -18.410 2.454 11.850 147 H ASP 19 H ASP 19 -11.655 6.907 11.140 148 HA ASP 19 HA ASP 19 -9.421 5.022 10.580 149 HB2 ASP 19 HB2 ASP 19 -10.911 7.057 8.923 150 HB3 ASP 19 HB3 ASP 19 -9.294 6.532 8.467 151 H CYS 20 H CYS 20 -10.011 8.122 12.018 152 HA CYS 20 HA CYS 20 -7.261 9.028 12.098 153 HB2 CYS 20 HB2 CYS 20 -9.794 9.533 13.688 154 HB3 CYS 20 HB3 CYS 20 -8.253 10.036 14.370 155 HG CYS 20 HG CYS 20 -9.281 10.787 11.327 156 HA PRO 21 HA PRO 21 -5.295 6.413 15.070 157 HB2 PRO 21 HB2 PRO 21 -4.786 8.813 16.814 158 HB3 PRO 21 HB3 PRO 21 -3.630 7.573 16.239 159 HG2 PRO 21 HG2 PRO 21 -3.706 10.005 15.060 160 HG3 PRO 21 HG3 PRO 21 -3.590 8.531 14.044 161 HD2 PRO 21 HD2 PRO 21 -6.049 10.158 14.726 162 HD3 PRO 21 HD3 PRO 21 -5.506 9.554 13.133 163 H HIS 22 H HIS 22 -5.262 5.551 17.273 164 HA HIS 22 HA HIS 22 -7.883 5.206 18.327 165 HB2 HIS 22 HB2 HIS 22 -5.198 4.427 19.512 166 HB3 HIS 22 HB3 HIS 22 -6.766 3.806 20.019 167 HD1 HIS 22 HD1 HIS 22 -8.124 2.368 17.984 168 HD2 HIS 22 HD2 HIS 22 -4.009 3.101 17.574 169 HE1 HIS 22 HE1 HIS 22 -7.284 0.748 16.220 170 H ILE 23 H ILE 23 -8.767 5.639 20.352 171 HA ILE 23 HA ILE 23 -8.061 8.296 21.409 172 HB ILE 23 HB ILE 23 -10.316 8.171 22.488 173 HG12 ILE 23 HG12 ILE 23 -11.984 6.630 21.593 174 HG13 ILE 23 HG13 ILE 23 -10.758 5.711 20.733 175 HG21 ILE 23 HG21 ILE 23 -9.855 9.344 20.384 176 HG22 ILE 23 HG22 ILE 23 -10.189 7.863 19.465 177 HG23 ILE 23 HG23 ILE 23 -11.480 8.648 20.396 178 HD11 ILE 23 HD11 ILE 23 -9.815 4.916 22.850 179 HD12 ILE 23 HD12 ILE 23 -10.888 6.011 23.768 180 HD13 ILE 23 HD13 ILE 23 -11.562 4.651 22.851 181 H ILE 24 H ILE 24 -8.645 8.685 23.782 182 HA ILE 24 HA ILE 24 -6.552 7.448 25.305 183 HB ILE 24 HB ILE 24 -8.760 9.132 26.519 184 HG12 ILE 24 HG12 ILE 24 -6.408 10.207 24.913 185 HG13 ILE 24 HG13 ILE 24 -8.109 10.335 24.472 186 HG21 ILE 24 HG21 ILE 24 -6.980 8.071 27.977 187 HG22 ILE 24 HG22 ILE 24 -5.766 9.005 27.081 188 HG23 ILE 24 HG23 ILE 24 -6.998 9.828 28.051 189 HD11 ILE 24 HD11 ILE 24 -6.784 11.733 26.813 190 HD12 ILE 24 HD12 ILE 24 -7.475 12.442 25.345 191 HD13 ILE 24 HD13 ILE 24 -8.545 11.678 26.531 192 H CYS 25 H CYS 25 -6.604 5.664 26.662 193 HA CYS 25 HA CYS 25 -8.883 3.991 26.580 194 HB2 CYS 25 HB2 CYS 25 -7.668 2.492 28.049 195 HB3 CYS 25 HB3 CYS 25 -6.641 3.101 26.755 196 HG CYS 25 HG CYS 25 -5.290 2.851 28.993 197 H SER 26 H SER 26 -10.591 3.659 27.780 198 HA SER 26 HA SER 26 -12.370 4.203 29.059 199 HB2 SER 26 HB2 SER 26 -10.275 4.147 31.239 200 HB3 SER 26 HB3 SER 26 -12.020 3.917 31.453 201 HG SER 26 HG SER 26 -10.881 1.948 31.149 202 H TYR 27 H TYR 27 -10.766 6.666 28.136 203 HA TYR 27 HA TYR 27 -10.417 8.830 28.538 204 HB2 TYR 27 HB2 TYR 27 -12.757 8.804 27.823 205 HB3 TYR 27 HB3 TYR 27 -13.289 8.681 29.490 206 HD1 TYR 27 HD1 TYR 27 -10.690 10.916 27.861 207 HD2 TYR 27 HD2 TYR 27 -14.448 10.649 29.969 208 HE1 TYR 27 HE1 TYR 27 -10.782 13.394 28.029 209 HE2 TYR 27 HE2 TYR 27 -14.543 13.126 30.113 210 HH TYR 27 HH TYR 27 -13.432 15.106 29.574 211 H CYS 28 H CYS 28 -9.343 7.233 30.593 212 HA CYS 28 HA CYS 28 -10.060 8.423 33.161 213 HB2 CYS 28 HB2 CYS 28 -8.694 6.739 34.137 214 HB3 CYS 28 HB3 CYS 28 -9.681 5.997 32.881 215 HG CYS 28 HG CYS 28 -7.861 5.825 31.070 216 H GLY 29 H GLY 29 -7.726 9.296 30.805 217 HA2 GLY 29 HA2 GLY 29 -6.355 11.063 32.761 218 HA3 GLY 29 HA3 GLY 29 -5.388 9.899 31.855 219 H ALA 30 H ALA 30 -4.378 12.084 31.440 220 HA ALA 30 HA ALA 30 -5.465 13.762 29.317 221 HB1 ALA 30 HB1 ALA 30 -2.639 13.395 30.404 222 HB2 ALA 30 HB2 ALA 30 -3.194 14.731 29.376 223 HB3 ALA 30 HB3 ALA 30 -3.838 14.555 31.012 224 H THR 31 H THR 31 -3.775 14.002 27.329 225 HA THR 31 HA THR 31 -3.177 11.260 26.247 226 HB THR 31 HB THR 31 -5.002 11.932 25.031 227 HG1 THR 31 HG1 THR 31 -4.045 12.045 23.031 228 HG21 THR 31 HG21 THR 31 -5.172 14.005 23.711 229 HG22 THR 31 HG22 THR 31 -5.174 14.334 25.439 230 HG23 THR 31 HG23 THR 31 -3.698 14.633 24.481 231 H ASP 32 H ASP 32 -2.057 14.689 26.200 232 HA ASP 32 HA ASP 32 0.410 13.939 24.850 233 HB2 ASP 32 HB2 ASP 32 -0.498 16.488 26.207 234 HB3 ASP 32 HB3 ASP 32 1.036 16.317 25.364 235 H ASP 33 H ASP 33 -0.500 14.177 28.225 236 HA ASP 33 HA ASP 33 2.153 13.112 28.995 237 HB2 ASP 33 HB2 ASP 33 2.279 14.499 30.963 238 HB3 ASP 33 HB3 ASP 33 2.276 15.447 29.492 239 H HIS 34 H HIS 34 -0.161 11.759 28.398 240 HA HIS 34 HA HIS 34 -2.061 11.052 30.182 241 HB2 HIS 34 HB2 HIS 34 -1.760 10.364 27.807 242 HB3 HIS 34 HB3 HIS 34 -0.511 9.236 28.288 243 HD1 HIS 34 HD1 HIS 34 -2.224 7.484 27.003 244 HD2 HIS 34 HD2 HIS 34 -3.529 9.163 30.625 245 HE1 HIS 34 HE1 HIS 34 -4.218 6.103 27.757 246 H TYR 35 H TYR 35 1.050 9.241 29.985 247 HA TYR 35 HA TYR 35 0.242 7.346 31.980 248 HB2 TYR 35 HB2 TYR 35 1.729 6.849 30.096 249 HB3 TYR 35 HB3 TYR 35 2.937 7.959 30.718 250 HD1 TYR 35 HD1 TYR 35 1.146 4.760 31.456 251 HD2 TYR 35 HD2 TYR 35 4.548 7.265 32.314 252 HE1 TYR 35 HE1 TYR 35 2.197 2.896 32.724 253 HE2 TYR 35 HE2 TYR 35 5.594 5.399 33.592 254 HH TYR 35 HH TYR 35 4.089 2.250 33.942 255 H SER 36 H SER 36 2.529 10.071 32.126 256 HA SER 36 HA SER 36 3.711 9.437 34.567 257 HB2 SER 36 HB2 SER 36 3.498 12.155 33.242 258 HB3 SER 36 HB3 SER 36 4.739 11.625 34.397 259 HG SER 36 HG SER 36 5.411 11.302 32.251 260 H ARG 37 H ARG 37 0.678 10.992 34.125 261 HA ARG 37 HA ARG 37 0.518 12.247 36.772 262 HB2 ARG 37 HB2 ARG 37 -1.616 11.684 34.680 263 HB3 ARG 37 HB3 ARG 37 -1.835 12.648 36.148 264 HG2 ARG 37 HG2 ARG 37 -0.168 14.280 35.367 265 HG3 ARG 37 HG3 ARG 37 0.034 13.363 33.860 266 HD2 ARG 37 HD2 ARG 37 -2.331 13.675 33.312 267 HD3 ARG 37 HD3 ARG 37 -2.625 14.515 34.835 268 HE ARG 37 HE ARG 37 -1.180 15.508 32.452 269 HH11 ARG 37 HH11 ARG 37 -2.378 16.359 35.635 270 HH12 ARG 37 HH12 ARG 37 -1.931 18.047 35.421 271 HH21 ARG 37 HH21 ARG 37 -0.470 17.544 32.377 272 HH22 ARG 37 HH22 ARG 37 -0.930 18.736 33.567 273 H HIS 38 H HIS 38 1.140 9.321 36.634 274 HA HIS 38 HA HIS 38 0.471 7.255 37.250 275 HB2 HIS 38 HB2 HIS 38 -1.018 8.779 39.406 276 HB3 HIS 38 HB3 HIS 38 -0.886 7.027 39.341 277 HD1 HIS 38 HD1 HIS 38 1.419 10.082 39.846 278 HD2 HIS 38 HD2 HIS 38 1.339 5.897 40.172 279 HE1 HIS 38 HE1 HIS 38 3.561 9.418 41.038 280 H CYS 39 H CYS 39 -0.506 7.696 35.075 281 HA CYS 39 HA CYS 39 -2.177 7.666 33.552 282 HB2 CYS 39 HB2 CYS 39 -1.040 5.564 33.695 283 HB3 CYS 39 HB3 CYS 39 -2.239 4.912 34.792 284 HG CYS 39 HG CYS 39 -2.720 3.966 32.413 285 HA PRO 40 HA PRO 40 -6.588 7.202 34.656 286 HB2 PRO 40 HB2 PRO 40 -7.640 5.677 36.670 287 HB3 PRO 40 HB3 PRO 40 -6.966 4.952 35.179 288 HG2 PRO 40 HG2 PRO 40 -5.499 5.388 37.813 289 HG3 PRO 40 HG3 PRO 40 -5.708 3.844 36.916 290 HD2 PRO 40 HD2 PRO 40 -3.497 5.291 36.538 291 HD3 PRO 40 HD3 PRO 40 -4.355 4.581 35.138 292 H LYS 41 H LYS 41 -4.545 8.215 37.173 293 HA LYS 41 HA LYS 41 -6.648 9.486 38.797 294 HB2 LYS 41 HB2 LYS 41 -3.632 9.402 39.176 295 HB3 LYS 41 HB3 LYS 41 -4.793 10.030 40.333 296 HG2 LYS 41 HG2 LYS 41 -4.449 7.141 39.457 297 HG3 LYS 41 HG3 LYS 41 -4.104 7.833 41.028 298 HD2 LYS 41 HD2 LYS 41 -6.835 7.392 39.762 299 HD3 LYS 41 HD3 LYS 41 -6.159 6.535 41.133 300 HE2 LYS 41 HE2 LYS 41 -6.862 9.505 41.107 301 HE3 LYS 41 HE3 LYS 41 -7.902 8.231 41.718 302 HZ1 LYS 41 HZ1 LYS 41 -5.229 8.887 42.829 303 HZ2 LYS 41 HZ2 LYS 41 -6.659 9.261 43.509 304 HZ3 LYS 41 HZ3 LYS 41 -6.216 7.703 43.378 305 H ALA 42 H ALA 42 -6.529 10.518 36.173 306 HA ALA 42 HA ALA 42 -5.677 13.337 36.730 307 HB1 ALA 42 HB1 ALA 42 -3.963 12.288 35.446 308 HB2 ALA 42 HB2 ALA 42 -5.113 11.657 34.264 309 HB3 ALA 42 HB3 ALA 42 -4.834 13.417 34.389 310 H ILE 43 H ILE 43 -8.359 11.468 35.556 311 HA ILE 43 HA ILE 43 -9.687 14.017 34.703 312 HB ILE 43 HB ILE 43 -10.079 11.283 33.473 313 HG12 ILE 43 HG12 ILE 43 -7.982 12.494 32.780 314 HG13 ILE 43 HG13 ILE 43 -9.112 12.136 31.485 315 HG21 ILE 43 HG21 ILE 43 -12.247 12.275 33.267 316 HG22 ILE 43 HG22 ILE 43 -11.566 13.888 32.932 317 HG23 ILE 43 HG23 ILE 43 -11.453 12.575 31.742 318 HD11 ILE 43 HD11 ILE 43 -8.847 14.883 32.788 319 HD12 ILE 43 HD12 ILE 43 -8.050 14.372 31.288 320 HD13 ILE 43 HD13 ILE 43 -9.811 14.467 31.351 321 H GLN 44 H GLN 44 -9.582 13.455 37.305 322 HA GLN 44 HA GLN 44 -12.413 13.625 37.770 323 HB2 GLN 44 HB2 GLN 44 -12.677 12.080 39.555 324 HB3 GLN 44 HB3 GLN 44 -12.171 11.209 38.126 325 HG2 GLN 44 HG2 GLN 44 -10.281 11.965 40.413 326 HG3 GLN 44 HG3 GLN 44 -11.148 10.439 40.290 327 HE21 GLN 44 HE22 GLN 44 -10.729 9.049 38.326 328 HE22 GLN 44 HE21 GLN 44 -9.097 9.134 37.673 329 H CYS 45 H CYS 45 -13.002 14.525 39.730 330 HA CYS 45 HA CYS 45 -11.501 16.603 40.887 331 HB2 CYS 45 HB2 CYS 45 -13.942 16.436 40.822 332 HB3 CYS 45 HB3 CYS 45 -13.910 14.952 41.765 333 HG CYS 45 HG CYS 45 -13.026 18.006 42.632 334 H SER 46 H SER 46 -10.713 16.795 43.127 335 HA SER 46 HA SER 46 -8.714 14.861 43.692 336 HB2 SER 46 HB2 SER 46 -8.315 16.239 45.705 337 HB3 SER 46 HB3 SER 46 -8.560 17.243 44.266 338 HG SER 46 HG SER 46 -9.889 18.048 45.808 339 H LYS 47 H LYS 47 -11.960 15.205 45.040 340 HA LYS 47 HA LYS 47 -11.603 12.698 46.639 341 HB2 LYS 47 HB2 LYS 47 -13.051 15.234 47.494 342 HB3 LYS 47 HB3 LYS 47 -13.051 13.710 48.382 343 HG2 LYS 47 HG2 LYS 47 -10.601 13.800 48.630 344 HG3 LYS 47 HG3 LYS 47 -10.549 15.352 47.790 345 HD2 LYS 47 HD2 LYS 47 -12.159 14.893 50.328 346 HD3 LYS 47 HD3 LYS 47 -10.486 15.432 50.347 347 HE2 LYS 47 HE2 LYS 47 -12.660 16.903 48.810 348 HE3 LYS 47 HE3 LYS 47 -12.304 17.238 50.499 349 HZ1 LYS 47 HZ1 LYS 47 -11.082 18.733 49.056 350 HZ2 LYS 47 HZ2 LYS 47 -10.027 17.789 49.855 351 HZ3 LYS 47 HZ3 LYS 47 -10.355 17.499 48.280 352 H CYS 48 H CYS 48 -13.110 13.697 43.975 353 HA CYS 48 HA CYS 48 -15.477 11.954 44.405 354 HB2 CYS 48 HB2 CYS 48 -15.697 14.655 43.019 355 HB3 CYS 48 HB3 CYS 48 -16.991 13.514 43.386 356 HG CYS 48 HG CYS 48 -16.619 13.645 46.045 357 H ASP 49 H ASP 49 -16.453 11.193 42.345 358 HA ASP 49 HA ASP 49 -14.172 10.131 40.924 359 HB2 ASP 49 HB2 ASP 49 -15.999 8.839 42.045 360 HB3 ASP 49 HB3 ASP 49 -17.082 9.327 40.749 361 H GLU 50 H GLU 50 -15.909 12.786 39.988 362 HA GLU 50 HA GLU 50 -15.436 12.192 37.096 363 HB2 GLU 50 HB2 GLU 50 -17.782 13.767 38.199 364 HB3 GLU 50 HB3 GLU 50 -17.324 13.626 36.494 365 HG2 GLU 50 HG2 GLU 50 -17.465 11.075 36.817 366 HG3 GLU 50 HG3 GLU 50 -18.295 11.414 38.328 367 H VAL 51 H VAL 51 -14.977 13.827 35.767 368 HA VAL 51 HA VAL 51 -12.800 14.791 35.515 369 HB VAL 51 HB VAL 51 -14.895 16.934 35.099 370 HG11 VAL 51 HG11 VAL 51 -13.529 17.360 33.051 371 HG12 VAL 51 HG12 VAL 51 -12.577 17.593 34.521 372 HG13 VAL 51 HG13 VAL 51 -12.383 16.107 33.567 373 HG21 VAL 51 HG21 VAL 51 -15.877 14.867 34.241 374 HG22 VAL 51 HG22 VAL 51 -15.296 15.825 32.890 375 HG23 VAL 51 HG23 VAL 51 -14.346 14.430 33.440 376 H GLY 52 H GLY 52 -14.652 17.157 37.554 377 HA2 GLY 52 HA2 GLY 52 -12.455 18.024 39.131 378 HA3 GLY 52 HA3 GLY 52 -12.520 19.037 37.685 379 H HIS 53 H HIS 53 -12.903 20.249 40.148 380 HA HIS 53 HA HIS 53 -15.544 19.802 41.081 381 HB2 HIS 53 HB2 HIS 53 -13.267 20.409 42.340 382 HB3 HIS 53 HB3 HIS 53 -14.007 22.006 42.341 383 HD1 HIS 53 HD1 HIS 53 -17.008 21.243 42.873 384 HD2 HIS 53 HD2 HIS 53 -13.734 19.361 44.680 385 HE1 HIS 53 HE1 HIS 53 -17.939 19.973 44.875 386 H TYR 54 H TYR 54 -15.165 21.601 38.473 387 HA TYR 54 HA TYR 54 -16.539 24.056 39.038 388 HB2 TYR 54 HB2 TYR 54 -16.587 22.443 36.460 389 HB3 TYR 54 HB3 TYR 54 -17.024 24.129 36.649 390 HD1 TYR 54 HD1 TYR 54 -15.293 25.853 37.238 391 HD2 TYR 54 HD2 TYR 54 -14.273 21.800 36.160 392 HE1 TYR 54 HE1 TYR 54 -12.966 26.570 36.712 393 HE2 TYR 54 HE2 TYR 54 -11.951 22.522 35.648 394 HH TYR 54 HH TYR 54 -10.498 24.353 35.575 395 H ARG 55 H ARG 55 -18.726 24.650 38.744 396 HA ARG 55 HA ARG 55 -20.618 22.847 39.830 397 HB2 ARG 55 HB2 ARG 55 -22.258 24.681 39.533 398 HB3 ARG 55 HB3 ARG 55 -20.795 25.095 40.387 399 HG2 ARG 55 HG2 ARG 55 -21.529 26.900 38.994 400 HG3 ARG 55 HG3 ARG 55 -19.936 26.365 38.502 401 HD2 ARG 55 HD2 ARG 55 -22.390 25.333 37.047 402 HD3 ARG 55 HD3 ARG 55 -21.866 26.976 36.760 403 HE ARG 55 HE ARG 55 -20.648 24.615 35.683 404 HH11 ARG 55 HH11 ARG 55 -19.827 27.901 36.616 405 HH12 ARG 55 HH12 ARG 55 -18.430 27.920 35.560 406 HH21 ARG 55 HH21 ARG 55 -18.885 24.696 34.457 407 HH22 ARG 55 HH22 ARG 55 -17.897 26.138 34.356 408 H SER 56 H SER 56 -19.699 22.681 36.714 409 HA SER 56 HA SER 56 -22.179 21.167 35.977 410 HB2 SER 56 HB2 SER 56 -21.512 21.777 33.600 411 HB3 SER 56 HB3 SER 56 -22.119 23.108 34.595 412 HG SER 56 HG SER 56 -20.000 23.266 33.398 413 H GLN 57 H GLN 57 -19.096 20.713 36.972 414 HA GLN 57 HA GLN 57 -18.622 18.272 35.301 415 HB2 GLN 57 HB2 GLN 57 -16.624 20.145 36.619 416 HB3 GLN 57 HB3 GLN 57 -16.203 18.649 35.798 417 HG2 GLN 57 HG2 GLN 57 -17.504 21.086 34.492 418 HG3 GLN 57 HG3 GLN 57 -15.802 20.671 34.414 419 HE21 GLN 57 HE22 GLN 57 -17.162 21.053 32.039 420 HE22 GLN 57 HE21 GLN 57 -17.344 19.493 31.244 421 H CYS 58 H CYS 58 -18.712 19.626 38.564 422 HA CYS 58 HA CYS 58 -19.137 16.890 39.605 423 HB2 CYS 58 HB2 CYS 58 -16.744 17.567 39.957 424 HB3 CYS 58 HB3 CYS 58 -17.342 18.928 40.942 425 HG CYS 58 HG CYS 58 -18.634 17.473 42.618 426 HA PRO 59 HA PRO 59 -22.267 20.046 41.172 427 HB2 PRO 59 HB2 PRO 59 -24.523 19.241 39.923 428 HB3 PRO 59 HB3 PRO 59 -23.327 20.291 39.106 429 HG2 PRO 59 HG2 PRO 59 -23.567 17.265 38.893 430 HG3 PRO 59 HG3 PRO 59 -23.481 18.459 37.559 431 HD2 PRO 59 HD2 PRO 59 -21.271 17.140 38.475 432 HD3 PRO 59 HD3 PRO 59 -21.195 18.838 37.918 433 H HIS 60 H HIS 60 -23.860 19.581 42.776 434 HA HIS 60 HA HIS 60 -23.796 16.839 43.880 435 HB2 HIS 60 HB2 HIS 60 -24.967 19.384 45.026 436 HB3 HIS 60 HB3 HIS 60 -24.769 17.848 45.868 437 HD1 HIS 60 HD1 HIS 60 -23.200 20.891 46.240 438 HD2 HIS 60 HD2 HIS 60 -21.757 17.115 45.108 439 HE1 HIS 60 HE1 HIS 60 -20.710 20.903 46.730 440 H LYS 61 H LYS 61 -25.825 18.510 41.792 441 HA LYS 61 HA LYS 61 -27.996 16.473 42.136 442 HB2 LYS 61 HB2 LYS 61 -28.166 19.224 40.837 443 HB3 LYS 61 HB3 LYS 61 -29.448 18.023 40.837 444 HG2 LYS 61 HG2 LYS 61 -28.328 19.387 43.325 445 HG3 LYS 61 HG3 LYS 61 -29.801 19.834 42.469 446 HD2 LYS 61 HD2 LYS 61 -30.742 17.556 42.933 447 HD3 LYS 61 HD3 LYS 61 -29.300 17.196 43.913 448 HE2 LYS 61 HE2 LYS 61 -29.809 19.148 45.357 449 HE3 LYS 61 HE3 LYS 61 -31.224 19.511 44.380 450 HZ1 LYS 61 HZ1 LYS 61 -30.849 17.025 45.956 451 HZ2 LYS 61 HZ2 LYS 61 -31.827 18.265 46.361 452 HZ3 LYS 61 HZ3 LYS 61 -32.165 17.369 45.045 453 H TRP 62 H TRP 62 -28.366 15.150 40.412 454 HA TRP 62 HA TRP 62 -26.073 15.032 38.607 455 HB2 TRP 62 HB2 TRP 62 -28.277 13.028 39.140 456 HB3 TRP 62 HB3 TRP 62 -26.813 12.735 38.208 457 HD1 TRP 62 HD1 TRP 62 -28.105 12.423 41.614 458 HE1 TRP 62 HE1 TRP 62 -26.249 12.029 43.326 459 HE3 TRP 62 HE3 TRP 62 -24.065 13.593 38.702 460 HZ2 TRP 62 HZ2 TRP 62 -23.375 12.201 43.438 461 HZ3 TRP 62 HZ3 TRP 62 -21.774 13.462 39.644 462 HH2 TRP 62 HH2 TRP 62 -21.417 12.775 41.999 463 H LYS 63 H LYS 63 -29.597 14.871 38.025 464 HA LYS 63 HA LYS 63 -30.834 14.837 36.118 465 HB2 LYS 63 HB2 LYS 63 -30.085 17.268 36.552 466 HB3 LYS 63 HB3 LYS 63 -29.064 17.081 35.128 467 HG2 LYS 63 HG2 LYS 63 -31.132 16.567 33.775 468 HG3 LYS 63 HG3 LYS 63 -32.095 16.683 35.250 469 HD2 LYS 63 HD2 LYS 63 -32.332 18.722 33.998 470 HD3 LYS 63 HD3 LYS 63 -31.443 19.072 35.486 471 HE2 LYS 63 HE2 LYS 63 -29.310 19.037 34.222 472 HE3 LYS 63 HE3 LYS 63 -30.179 18.621 32.749 473 HZ1 LYS 63 HZ1 LYS 63 -29.718 20.996 32.864 474 HZ2 LYS 63 HZ2 LYS 63 -31.329 20.761 32.897 475 HZ3 LYS 63 HZ3 LYS 63 -30.528 21.147 34.268 476 H LYS 64 H LYS 64 -28.774 12.909 36.036 477 HA LYS 64 HA LYS 64 -27.854 12.825 33.198 478 HB2 LYS 64 HB2 LYS 64 -26.193 12.816 35.079 479 HB3 LYS 64 HB3 LYS 64 -26.828 11.244 35.575 480 HG2 LYS 64 HG2 LYS 64 -26.292 10.413 33.209 481 HG3 LYS 64 HG3 LYS 64 -25.480 11.957 32.932 482 HD2 LYS 64 HD2 LYS 64 -24.775 9.878 35.044 483 HD3 LYS 64 HD3 LYS 64 -23.902 10.172 33.536 484 HE2 LYS 64 HE2 LYS 64 -23.333 12.458 34.309 485 HE3 LYS 64 HE3 LYS 64 -24.200 12.173 35.814 486 HZ1 LYS 64 HZ1 LYS 64 -22.645 10.326 36.264 487 HZ2 LYS 64 HZ2 LYS 64 -21.803 10.688 34.892 488 HZ3 LYS 64 HZ3 LYS 64 -21.857 11.733 36.106 489 H VAL 65 H VAL 65 -28.751 11.506 31.841 490 HA VAL 65 HA VAL 65 -30.210 10.113 30.887 491 HB VAL 65 HB VAL 65 -28.094 8.838 31.364 492 HG11 VAL 65 HG11 VAL 65 -28.422 8.143 33.683 493 HG12 VAL 65 HG12 VAL 65 -29.855 7.196 33.218 494 HG13 VAL 65 HG13 VAL 65 -28.246 6.751 32.616 495 HG21 VAL 65 HG21 VAL 65 -30.572 7.238 30.676 496 HG22 VAL 65 HG22 VAL 65 -29.628 8.260 29.570 497 HG23 VAL 65 HG23 VAL 65 -28.886 6.825 30.283 498 H GLN 66 H GLN 66 -31.305 11.337 33.347 499 HA GLN 66 HA GLN 66 -33.023 11.340 34.766 500 HB2 GLN 66 HB2 GLN 66 -34.391 9.563 32.720 501 HB3 GLN 66 HB3 GLN 66 -35.181 10.460 34.015 502 HG2 GLN 66 HG2 GLN 66 -34.270 12.597 33.041 503 HG3 GLN 66 HG3 GLN 66 -33.628 11.669 31.685 504 HE21 GLN 66 HE22 GLN 66 -35.200 13.575 30.805 505 HE22 GLN 66 HE21 GLN 66 -36.813 12.976 30.427 506 H CYS 67 H CYS 67 -31.209 8.620 34.725 507 HA CYS 67 HA CYS 67 -32.723 7.315 36.929 508 HB2 CYS 67 HB2 CYS 67 -31.589 5.729 34.599 509 HB3 CYS 67 HB3 CYS 67 -32.600 5.143 35.921 510 HG CYS 67 HG CYS 67 -33.313 7.175 33.478 511 H THR 68 H THR 68 -31.523 6.345 38.445 512 HA THR 68 HA THR 68 -28.590 6.204 38.310 513 HB THR 68 HB THR 68 -29.804 6.633 40.400 514 HG1 THR 68 HG1 THR 68 -28.519 5.202 41.516 515 HG21 THR 68 HG21 THR 68 -30.648 3.701 40.350 516 HG22 THR 68 HG22 THR 68 -30.985 4.909 41.604 517 HG23 THR 68 HG23 THR 68 -31.762 5.049 40.028 518 H LEU 69 H LEU 69 -31.281 4.140 37.500 519 HA LEU 69 HA LEU 69 -29.940 1.600 37.682 520 HB2 LEU 69 HB2 LEU 69 -32.418 2.383 36.102 521 HB3 LEU 69 HB3 LEU 69 -31.951 0.753 36.563 522 HG LEU 69 HG LEU 69 -32.831 2.969 38.462 523 HD11 LEU 69 HD11 LEU 69 -34.793 1.527 38.805 524 HD12 LEU 69 HD12 LEU 69 -34.638 1.993 37.102 525 HD13 LEU 69 HD13 LEU 69 -34.160 0.363 37.619 526 HD21 LEU 69 HD21 LEU 69 -32.825 1.213 40.206 527 HD22 LEU 69 HD22 LEU 69 -32.086 0.071 39.060 528 HD23 LEU 69 HD23 LEU 69 -31.192 1.512 39.598 529 H CYS 70 H CYS 70 -29.693 4.022 35.290 530 HA CYS 70 HA CYS 70 -29.112 2.073 33.103 531 HB2 CYS 70 HB2 CYS 70 -30.173 4.918 33.045 532 HB3 CYS 70 HB3 CYS 70 -29.740 3.980 31.609 533 HG CYS 70 HG CYS 70 -31.331 1.954 32.121 534 H LYS 71 H LYS 71 -27.577 2.642 31.503 535 HA LYS 71 HA LYS 71 -25.279 4.299 32.416 536 HB2 LYS 71 HB2 LYS 71 -24.947 1.841 32.821 537 HB3 LYS 71 HB3 LYS 71 -25.158 1.547 31.106 538 HG2 LYS 71 HG2 LYS 71 -22.829 1.471 31.689 539 HG3 LYS 71 HG3 LYS 71 -23.090 2.850 30.629 540 HD2 LYS 71 HD2 LYS 71 -23.060 4.377 32.592 541 HD3 LYS 71 HD3 LYS 71 -22.875 3.002 33.683 542 HE2 LYS 71 HE2 LYS 71 -20.900 3.752 31.487 543 HE3 LYS 71 HE3 LYS 71 -20.777 4.305 33.149 544 HZ1 LYS 71 HZ1 LYS 71 -19.406 2.364 32.810 545 HZ2 LYS 71 HZ2 LYS 71 -20.588 1.991 33.863 546 HZ3 LYS 71 HZ3 LYS 71 -20.666 1.461 32.315 547 H SER 72 H SER 72 -23.935 5.111 30.705 548 HA SER 72 HA SER 72 -25.284 6.352 28.566 549 HB2 SER 72 HB2 SER 72 -22.923 6.728 27.710 550 HB3 SER 72 HB3 SER 72 -23.235 7.249 29.373 551 HG SER 72 HG SER 72 -21.353 6.001 29.254 552 H LYS 73 H LYS 73 -25.587 5.918 26.508 553 HA LYS 73 HA LYS 73 -26.394 4.692 24.839 554 HB2 LYS 73 HB2 LYS 73 -24.823 3.776 23.320 555 HB3 LYS 73 HB3 LYS 73 -24.199 5.251 24.036 556 HG2 LYS 73 HG2 LYS 73 -22.650 3.986 25.450 557 HG3 LYS 73 HG3 LYS 73 -23.389 2.458 24.951 558 HD2 LYS 73 HD2 LYS 73 -21.311 2.738 23.754 559 HD3 LYS 73 HD3 LYS 73 -22.656 2.840 22.629 560 HE2 LYS 73 HE2 LYS 73 -21.070 4.508 22.011 561 HE3 LYS 73 HE3 LYS 73 -22.474 5.336 22.658 562 HZ1 LYS 73 HZ1 LYS 73 -20.389 6.249 23.518 563 HZ2 LYS 73 HZ2 LYS 73 -21.246 5.622 24.753 564 HZ3 LYS 73 HZ3 LYS 73 -19.958 4.814 24.150 565 H LYS 74 H LYS 74 -26.619 3.280 27.455 566 HA LYS 74 HA LYS 74 -27.561 0.660 26.381 567 HB2 LYS 74 HB2 LYS 74 -26.025 1.129 28.966 568 HB3 LYS 74 HB3 LYS 74 -26.808 -0.390 28.515 569 HG2 LYS 74 HG2 LYS 74 -25.373 -0.572 26.516 570 HG3 LYS 74 HG3 LYS 74 -24.533 0.922 26.971 571 HD2 LYS 74 HD2 LYS 74 -23.808 -0.111 29.094 572 HD3 LYS 74 HD3 LYS 74 -24.647 -1.615 28.654 573 HE2 LYS 74 HE2 LYS 74 -23.227 -1.822 26.640 574 HE3 LYS 74 HE3 LYS 74 -22.406 -0.320 27.048 575 HZ1 LYS 74 HZ1 LYS 74 -21.584 -1.384 29.072 576 HZ2 LYS 74 HZ2 LYS 74 -22.365 -2.776 28.715 577 HZ3 LYS 74 HZ3 LYS 74 -21.143 -2.260 27.772 578 H HIS 75 H HIS 75 -29.063 3.101 26.769 579 HA HIS 75 HA HIS 75 -30.724 2.775 29.142 580 HB2 HIS 75 HB2 HIS 75 -30.216 4.947 27.972 581 HB3 HIS 75 HB3 HIS 75 -31.269 4.427 26.659 582 HD1 HIS 75 HD1 HIS 75 -33.894 4.668 27.146 583 HD2 HIS 75 HD2 HIS 75 -31.439 5.222 30.486 584 HE1 HIS 75 HE1 HIS 75 -35.390 5.563 28.966 585 H SER 76 H SER 76 -33.177 2.756 28.767 586 HA SER 76 HA SER 76 -35.084 1.700 28.384 587 HB2 SER 76 HB2 SER 76 -34.014 1.280 25.596 588 HB3 SER 76 HB3 SER 76 -35.713 1.265 26.101 589 HG SER 76 HG SER 76 -34.992 3.319 25.372 590 H LYS 77 H LYS 77 -32.394 -0.298 28.341 591 HA LYS 77 HA LYS 77 -33.399 -2.891 27.907 592 HB2 LYS 77 HB2 LYS 77 -31.421 -1.893 29.999 593 HB3 LYS 77 HB3 LYS 77 -31.700 -3.592 29.605 594 HG2 LYS 77 HG2 LYS 77 -30.963 -3.166 27.260 595 HG3 LYS 77 HG3 LYS 77 -30.659 -1.473 27.669 596 HD2 LYS 77 HD2 LYS 77 -28.564 -2.659 27.709 597 HD3 LYS 77 HD3 LYS 77 -28.978 -2.188 29.362 598 HE2 LYS 77 HE2 LYS 77 -29.842 -4.492 29.782 599 HE3 LYS 77 HE3 LYS 77 -29.431 -4.942 28.133 600 HZ1 LYS 77 HZ1 LYS 77 -27.481 -4.092 30.201 601 HZ2 LYS 77 HZ2 LYS 77 -27.719 -5.623 29.702 602 HZ3 LYS 77 HZ3 LYS 77 -27.093 -4.530 28.670 603 H GLU 78 H GLU 78 -34.156 -4.514 29.303 604 HA GLU 78 HA GLU 78 -35.900 -5.335 30.512 605 HB2 GLU 78 HB2 GLU 78 -34.526 -3.676 32.651 606 HB3 GLU 78 HB3 GLU 78 -35.841 -4.801 32.972 607 HG2 GLU 78 HG2 GLU 78 -33.863 -5.956 33.457 608 HG3 GLU 78 HG3 GLU 78 -34.550 -6.661 32.012 609 H ARG 79 H ARG 79 -36.699 -3.313 28.866 610 HA ARG 79 HA ARG 79 -38.329 -1.856 28.337 611 HB2 ARG 79 HB2 ARG 79 -39.514 -3.985 28.876 612 HB3 ARG 79 HB3 ARG 79 -39.985 -3.325 30.426 613 HG2 ARG 79 HG2 ARG 79 -40.604 -1.776 27.887 614 HG3 ARG 79 HG3 ARG 79 -41.496 -3.247 28.195 615 HD2 ARG 79 HD2 ARG 79 -41.487 -0.811 30.033 616 HD3 ARG 79 HD3 ARG 79 -42.725 -1.281 28.902 617 HE ARG 79 HE ARG 79 -43.374 -3.122 30.211 618 HH11 ARG 79 HH11 ARG 79 -40.799 -1.436 31.912 619 HH12 ARG 79 HH12 ARG 79 -41.255 -2.114 33.456 620 HH21 ARG 79 HH21 ARG 79 -43.849 -3.985 32.192 621 HH22 ARG 79 HH22 ARG 79 -42.921 -3.508 33.595 622 H CYS 80 H CYS 80 -36.708 -0.408 29.383 623 HA CYS 80 HA CYS 80 -38.061 1.364 31.368 624 HB2 CYS 80 HB2 CYS 80 -35.974 0.100 32.061 625 HB3 CYS 80 HB3 CYS 80 -35.073 1.079 30.908 626 HG CYS 80 HG CYS 80 -36.933 2.103 33.471 627 HA PRO 81 HA PRO 81 -37.024 3.830 27.406 628 HB2 PRO 81 HB2 PRO 81 -39.291 3.949 25.937 629 HB3 PRO 81 HB3 PRO 81 -38.195 2.538 25.858 630 HG2 PRO 81 HG2 PRO 81 -40.716 2.829 27.533 631 HG3 PRO 81 HG3 PRO 81 -40.286 1.495 26.419 632 HD2 PRO 81 HD2 PRO 81 -39.801 1.343 29.097 633 HD3 PRO 81 HD3 PRO 81 -38.678 0.648 27.884 634 H SER 82 H SER 82 -39.819 3.869 29.540 635 HA SER 82 HA SER 82 -40.868 6.404 29.005 636 HB2 SER 82 HB2 SER 82 -40.975 4.907 31.658 637 HB3 SER 82 HB3 SER 82 -42.164 6.064 31.013 638 HG SER 82 HG SER 82 -42.641 4.566 29.438 639 H ILE 83 H ILE 83 -41.027 8.301 30.269 640 HA ILE 83 HA ILE 83 -38.406 9.192 31.223 641 HB ILE 83 HB ILE 83 -39.434 11.481 31.054 642 HG12 ILE 83 HG12 ILE 83 -41.383 11.766 29.588 643 HG13 ILE 83 HG13 ILE 83 -41.723 10.045 29.633 644 HG21 ILE 83 HG21 ILE 83 -37.990 10.454 29.347 645 HG22 ILE 83 HG22 ILE 83 -39.413 9.756 28.548 646 HG23 ILE 83 HG23 ILE 83 -39.205 11.516 28.631 647 HD11 ILE 83 HD11 ILE 83 -41.782 11.929 32.031 648 HD12 ILE 83 HD12 ILE 83 -43.194 11.378 31.113 649 HD13 ILE 83 HD13 ILE 83 -42.258 10.204 32.045 650 H TRP 84 H TRP 84 -38.300 10.875 32.893 651 HA TRP 84 HA TRP 84 -38.592 9.713 35.380 652 HB2 TRP 84 HB2 TRP 84 -37.120 11.702 34.330 653 HB3 TRP 84 HB3 TRP 84 -38.297 12.702 35.138 654 HD1 TRP 84 HD1 TRP 84 -38.090 10.203 37.623 655 HE1 TRP 84 HE1 TRP 84 -36.204 10.535 39.300 656 HE3 TRP 84 HE3 TRP 84 -35.294 13.607 35.026 657 HZ2 TRP 84 HZ2 TRP 84 -33.764 12.054 39.506 658 HZ3 TRP 84 HZ3 TRP 84 -33.183 14.482 35.993 659 HH2 TRP 84 HH2 TRP 84 -32.407 13.710 38.225 660 H ARG 85 H ARG 85 -40.864 11.848 33.835 661 HA ARG 85 HA ARG 85 -42.928 12.652 34.312 662 HB2 ARG 85 HB2 ARG 85 -43.063 10.123 34.936 663 HB3 ARG 85 HB3 ARG 85 -43.120 10.666 36.596 664 HG2 ARG 85 HG2 ARG 85 -45.307 10.115 35.762 665 HG3 ARG 85 HG3 ARG 85 -45.268 11.828 36.143 666 HD2 ARG 85 HD2 ARG 85 -45.045 12.378 33.751 667 HD3 ARG 85 HD3 ARG 85 -44.934 10.656 33.347 668 HE ARG 85 HE ARG 85 -47.306 10.715 34.647 669 HH11 ARG 85 HH11 ARG 85 -46.182 12.721 31.983 670 HH12 ARG 85 HH12 ARG 85 -47.813 13.014 31.415 671 HH21 ARG 85 HH21 ARG 85 -49.325 11.135 33.881 672 HH22 ARG 85 HH22 ARG 85 -49.547 12.121 32.459 673 H ALA 86 H ALA 86 -44.439 13.389 36.254 674 HA ALA 86 HA ALA 86 -44.943 14.925 37.753 675 HB1 ALA 86 HB1 ALA 86 -43.951 13.226 39.221 676 HB2 ALA 86 HB2 ALA 86 -42.403 14.102 39.180 677 HB3 ALA 86 HB3 ALA 86 -43.839 14.861 39.891 678 H TYR 87 H TYR 87 -42.253 15.739 35.871 679 HA TYR 87 HA TYR 87 -42.068 18.488 36.946 680 HB2 TYR 87 HB2 TYR 87 -40.808 17.142 34.542 681 HB3 TYR 87 HB3 TYR 87 -40.606 18.840 34.941 682 HD1 TYR 87 HD1 TYR 87 -39.590 19.528 37.148 683 HD2 TYR 87 HD2 TYR 87 -39.447 15.476 35.678 684 HE1 TYR 87 HE1 TYR 87 -37.710 19.025 38.703 685 HE2 TYR 87 HE2 TYR 87 -37.574 14.977 37.234 686 HH TYR 87 HH TYR 87 -36.187 15.866 38.892 687 H ILE 88 H ILE 88 -42.736 20.375 35.836 688 HA ILE 88 HA ILE 88 -45.304 20.128 34.560 689 HB ILE 88 HB ILE 88 -45.259 22.561 34.328 690 HG12 ILE 88 HG12 ILE 88 -42.490 22.484 35.603 691 HG13 ILE 88 HG13 ILE 88 -42.820 22.889 33.917 692 HG21 ILE 88 HG21 ILE 88 -46.014 21.387 36.396 693 HG22 ILE 88 HG22 ILE 88 -44.405 21.640 37.102 694 HG23 ILE 88 HG23 ILE 88 -45.440 23.025 36.699 695 HD11 ILE 88 HD11 ILE 88 -43.727 24.489 36.340 696 HD12 ILE 88 HD12 ILE 88 -42.492 24.926 35.151 697 HD13 ILE 88 HD13 ILE 88 -44.191 24.834 34.655 698 H LEU 89 H LEU 89 -46.000 20.418 32.524 699 HA LEU 89 HA LEU 89 -44.020 20.852 30.334 700 HB2 LEU 89 HB2 LEU 89 -44.401 18.423 30.872 701 HB3 LEU 89 HB3 LEU 89 -46.094 18.626 30.450 702 HG LEU 89 HG LEU 89 -45.485 19.077 28.100 703 HD11 LEU 89 HD11 LEU 89 -43.298 20.178 28.350 704 HD12 LEU 89 HD12 LEU 89 -42.605 18.695 29.046 705 HD13 LEU 89 HD13 LEU 89 -43.127 18.736 27.348 706 HD21 LEU 89 HD21 LEU 89 -44.079 16.625 29.235 707 HD22 LEU 89 HD22 LEU 89 -45.811 16.752 28.862 708 HD23 LEU 89 HD23 LEU 89 -44.618 16.847 27.556 709 H VAL 90 H VAL 90 -47.055 21.725 31.599 710 HA VAL 90 HA VAL 90 -48.558 22.143 29.209 711 HB VAL 90 HB VAL 90 -49.419 21.946 31.538 712 HG11 VAL 90 HG11 VAL 90 -48.693 24.886 31.833 713 HG12 VAL 90 HG12 VAL 90 -49.587 23.880 32.984 714 HG13 VAL 90 HG13 VAL 90 -47.880 23.545 32.670 715 HG21 VAL 90 HG21 VAL 90 -50.471 24.391 30.079 716 HG22 VAL 90 HG22 VAL 90 -50.879 22.699 29.709 717 HG23 VAL 90 HG23 VAL 90 -51.321 23.397 31.273 718 H ASP 91 H ASP 91 -45.911 23.967 30.431 719 HA ASP 91 HA ASP 91 -46.630 26.492 29.152 720 HB2 ASP 91 HB2 ASP 91 -45.345 26.241 31.289 721 HB3 ASP 91 HB3 ASP 91 -44.002 25.588 30.362 722 H ASP 92 H ASP 92 -45.389 23.609 27.865 723 HA ASP 92 HA ASP 92 -44.008 25.002 25.601 724 HB2 ASP 92 HB2 ASP 92 -43.378 22.367 26.956 725 HB3 ASP 92 HB3 ASP 92 -42.755 22.817 25.378 726 H ASN 93 H ASN 93 -44.817 24.755 23.675 727 HA ASN 93 HA ASN 93 -46.161 24.193 21.959 728 HB2 ASN 93 HB2 ASN 93 -45.191 21.436 22.775 729 HB3 ASN 93 HB3 ASN 93 -45.896 21.832 21.208 730 HD21 ASN 93 HD22 ASN 93 -43.389 20.715 21.273 731 HD22 ASN 93 HD21 ASN 93 -42.218 21.944 20.801 732 H GLU 94 H GLU 94 -47.671 24.551 24.355 733 HA GLU 94 HA GLU 94 -50.170 23.138 23.639 734 HB2 GLU 94 HB2 GLU 94 -49.036 21.787 25.373 735 HB3 GLU 94 HB3 GLU 94 -48.904 23.200 26.409 736 HG2 GLU 94 HG2 GLU 94 -50.672 21.759 27.180 737 HG3 GLU 94 HG3 GLU 94 -51.364 23.273 26.646 738 H LYS 95 H LYS 95 -52.060 24.187 24.387 739 HA LYS 95 HA LYS 95 -51.914 26.854 25.595 740 HB2 LYS 95 HB2 LYS 95 -53.167 27.964 23.842 741 HB3 LYS 95 HB3 LYS 95 -51.651 27.333 23.210 742 HG2 LYS 95 HG2 LYS 95 -52.859 25.427 22.172 743 HG3 LYS 95 HG3 LYS 95 -54.390 26.038 22.823 744 HD2 LYS 95 HD2 LYS 95 -54.087 28.146 21.543 745 HD3 LYS 95 HD3 LYS 95 -52.564 27.518 20.882 746 HE2 LYS 95 HE2 LYS 95 -53.825 25.600 19.897 747 HE3 LYS 95 HE3 LYS 95 -55.325 26.288 20.511 748 HZ1 LYS 95 HZ1 LYS 95 -54.957 26.899 18.194 749 HZ2 LYS 95 HZ2 LYS 95 -54.922 28.245 19.116 750 HZ3 LYS 95 HZ3 LYS 95 -53.530 27.601 18.546 751 H ALA 96 H ALA 96 -53.851 27.661 26.412 752 HA ALA 96 HA ALA 96 -55.605 25.583 27.426 753 HB1 ALA 96 HB1 ALA 96 -55.581 28.592 27.873 754 HB2 ALA 96 HB2 ALA 96 -56.455 27.392 28.846 755 HB3 ALA 96 HB3 ALA 96 -54.684 27.383 28.824 756 H LYS 97 H LYS 97 -55.888 27.617 24.666 757 HA LYS 97 HA LYS 97 -58.873 27.571 24.708 758 HB2 LYS 97 HB2 LYS 97 -56.936 29.274 23.115 759 HB3 LYS 97 HB3 LYS 97 -58.694 29.309 22.958 760 HG2 LYS 97 HG2 LYS 97 -58.894 29.965 25.351 761 HG3 LYS 97 HG3 LYS 97 -57.123 29.992 25.479 762 HD2 LYS 97 HD2 LYS 97 -57.041 31.740 23.688 763 HD3 LYS 97 HD3 LYS 97 -58.799 31.683 23.574 764 HE2 LYS 97 HE2 LYS 97 -58.271 33.584 24.882 765 HE3 LYS 97 HE3 LYS 97 -58.957 32.388 25.968 766 HZ1 LYS 97 HZ1 LYS 97 -56.050 32.913 25.649 767 HZ2 LYS 97 HZ2 LYS 97 -56.962 33.465 26.878 768 HZ3 LYS 97 HZ3 LYS 97 -56.707 31.864 26.722 769 HA PRO 98 HA PRO 98 -58.552 24.658 21.226 770 HB2 PRO 98 HB2 PRO 98 -61.147 23.936 21.005 771 HB3 PRO 98 HB3 PRO 98 -60.156 23.441 22.408 772 HG2 PRO 98 HG2 PRO 98 -62.075 25.785 22.226 773 HG3 PRO 98 HG3 PRO 98 -61.994 24.524 23.494 774 HD2 PRO 98 HD2 PRO 98 -60.779 26.974 23.741 775 HD3 PRO 98 HD3 PRO 98 -60.095 25.491 24.468 776 H LYS 99 H LYS 99 -59.432 24.526 19.037 777 HA LYS 99 HA LYS 99 -61.089 26.746 18.026 778 HB2 LYS 99 HB2 LYS 99 -58.711 27.395 17.616 779 HB3 LYS 99 HB3 LYS 99 -58.500 25.941 16.635 780 HG2 LYS 99 HG2 LYS 99 -60.220 26.734 15.052 781 HG3 LYS 99 HG3 LYS 99 -60.555 28.131 16.090 782 HD2 LYS 99 HD2 LYS 99 -58.234 28.940 15.758 783 HD3 LYS 99 HD3 LYS 99 -57.902 27.551 14.703 784 HE2 LYS 99 HE2 LYS 99 -59.682 28.297 13.158 785 HE3 LYS 99 HE3 LYS 99 -60.055 29.651 14.218 786 HZ1 LYS 99 HZ1 LYS 99 -58.605 30.334 12.400 787 HZ2 LYS 99 HZ2 LYS 99 -57.820 30.516 13.813 788 HZ3 LYS 99 HZ3 LYS 99 -57.457 29.259 12.833 789 H VAL 100 H VAL 100 -62.706 25.958 16.891 790 HA VAL 100 HA VAL 100 -62.767 23.017 16.526 791 HB VAL 100 HB VAL 100 -65.047 25.000 16.779 792 HG11 VAL 100 HG11 VAL 100 -66.391 22.989 17.361 793 HG12 VAL 100 HG12 VAL 100 -65.798 22.914 15.703 794 HG13 VAL 100 HG13 VAL 100 -65.001 21.955 16.973 795 HG21 VAL 100 HG21 VAL 100 -63.716 24.948 18.861 796 HG22 VAL 100 HG22 VAL 100 -65.243 24.105 19.097 797 HG23 VAL 100 HG23 VAL 100 -63.752 23.172 18.855 798 H LEU 101 H LEU 101 -63.402 25.937 14.597 799 HA LEU 101 HA LEU 101 -63.495 24.265 12.151 800 HB2 LEU 101 HB2 LEU 101 -65.836 24.673 12.994 801 HB3 LEU 101 HB3 LEU 101 -65.546 26.399 12.853 802 HG LEU 101 HG LEU 101 -65.126 26.029 10.358 803 HD11 LEU 101 HD11 LEU 101 -64.693 23.560 10.438 804 HD12 LEU 101 HD12 LEU 101 -66.362 23.309 10.978 805 HD13 LEU 101 HD13 LEU 101 -66.039 23.969 9.362 806 HD21 LEU 101 HD21 LEU 101 -67.264 26.902 11.224 807 HD22 LEU 101 HD22 LEU 101 -67.528 25.851 9.826 808 HD23 LEU 101 HD23 LEU 101 -67.859 25.244 11.467 809 HA PRO 102 HA PRO 102 -60.967 27.874 11.112 810 HB2 PRO 102 HB2 PRO 102 -59.587 26.918 9.011 811 HB3 PRO 102 HB3 PRO 102 -59.414 26.196 10.638 812 HG2 PRO 102 HG2 PRO 102 -61.162 25.222 8.356 813 HG3 PRO 102 HG3 PRO 102 -60.000 24.274 9.335 814 HD2 PRO 102 HD2 PRO 102 -62.698 24.391 9.879 815 HD3 PRO 102 HD3 PRO 102 -61.459 24.184 11.152 816 H PHE 103 H PHE 103 -63.527 26.697 9.105 817 HA PHE 103 HA PHE 103 -63.196 28.908 7.123 818 HB2 PHE 103 HB2 PHE 103 -62.906 26.526 6.364 819 HB3 PHE 103 HB3 PHE 103 -64.596 26.247 6.755 820 HD1 PHE 103 HD2 PHE 103 -62.292 28.342 4.671 821 HD2 PHE 103 HD1 PHE 103 -66.297 26.825 5.153 822 HE1 PHE 103 HE2 PHE 103 -62.891 29.199 2.421 823 HE2 PHE 103 HE1 PHE 103 -66.890 27.687 2.906 824 HZ PHE 103 HZ PHE 103 -65.188 28.871 1.536 825 H HIS 104 H HIS 104 -65.045 29.993 6.303 826 HA HIS 104 HA HIS 104 -66.962 30.609 8.391 827 HB2 HIS 104 HB2 HIS 104 -66.754 31.654 5.553 828 HB3 HIS 104 HB3 HIS 104 -67.751 32.335 6.834 829 HD1 HIS 104 HD1 HIS 104 -65.212 32.064 9.051 830 HD2 HIS 104 HD2 HIS 104 -65.388 33.966 5.311 831 HE1 HIS 104 HE1 HIS 104 -63.394 33.831 9.065 832 H THR 105 H THR 105 -69.162 30.450 8.421 833 HA THR 105 HA THR 105 -70.674 29.175 6.277 834 HB THR 105 HB THR 105 -69.760 27.221 7.425 835 HG1 THR 105 HG1 THR 105 -71.754 26.303 7.598 836 HG21 THR 105 HG21 THR 105 -69.545 28.093 9.754 837 HG22 THR 105 HG22 THR 105 -71.317 28.106 9.896 838 HG23 THR 105 HG23 THR 105 -70.443 26.577 9.661 839 H ILE 106 H ILE 106 -72.995 29.099 6.787 840 HA ILE 106 HA ILE 106 -74.868 30.351 7.017 841 HB ILE 106 HB ILE 106 -74.127 30.551 9.936 842 HG12 ILE 106 HG12 ILE 106 -73.667 28.248 9.365 843 HG13 ILE 106 HG13 ILE 106 -75.135 28.353 10.300 844 HG21 ILE 106 HG21 ILE 106 -76.586 30.255 10.242 845 HG22 ILE 106 HG22 ILE 106 -76.203 31.719 9.343 846 HG23 ILE 106 HG23 ILE 106 -76.804 30.291 8.480 847 HD11 ILE 106 HD11 ILE 106 -76.506 27.986 8.275 848 HD12 ILE 106 HD12 ILE 106 -75.031 27.947 7.274 849 HD13 ILE 106 HD13 ILE 106 -75.314 26.696 8.494 850 H TYR 107 H TYR 107 -73.360 31.864 5.749 851 HA TYR 107 HA TYR 107 -73.144 34.562 7.027 852 HB2 TYR 107 HB2 TYR 107 -71.211 32.826 5.687 853 HB3 TYR 107 HB3 TYR 107 -71.388 34.310 4.803 854 HD1 TYR 107 HD1 TYR 107 -71.282 33.448 8.491 855 HD2 TYR 107 HD2 TYR 107 -69.660 35.768 5.238 856 HE1 TYR 107 HE1 TYR 107 -69.657 34.496 10.048 857 HE2 TYR 107 HE2 TYR 107 -68.003 36.781 6.791 858 HH TYR 107 HH TYR 107 -67.884 36.016 10.217 859 H CYS 108 H CYS 108 -73.428 36.413 5.699 860 HA CYS 108 HA CYS 108 -74.753 36.100 3.055 861 HB2 CYS 108 HB2 CYS 108 -73.887 38.561 4.634 862 HB3 CYS 108 HB3 CYS 108 -74.655 38.591 3.040 863 HG CYS 108 HG CYS 108 -76.801 37.199 3.842 864 H TYR 109 H TYR 109 -73.623 36.886 1.119 865 HA TYR 109 HA TYR 109 -70.758 36.332 1.179 866 HB2 TYR 109 HB2 TYR 109 -70.864 36.687 -1.241 867 HB3 TYR 109 HB3 TYR 109 -71.998 35.497 -0.648 868 HD1 TYR 109 HD1 TYR 109 -71.702 39.029 -1.843 869 HD2 TYR 109 HD2 TYR 109 -74.338 35.699 -1.092 870 HE1 TYR 109 HE1 TYR 109 -73.546 40.211 -3.033 871 HE2 TYR 109 HE2 TYR 109 -76.170 36.878 -2.286 872 HH TYR 109 HH TYR 109 -76.743 38.819 -3.444 873 H ASN 110 H ASN 110 -72.518 39.176 1.769 874 HA ASN 110 HA ASN 110 -70.222 40.934 1.020 875 HB2 ASN 110 HB2 ASN 110 -72.557 41.288 0.057 876 HB3 ASN 110 HB3 ASN 110 -73.080 41.700 1.693 877 HD21 ASN 110 HD21 ASN 110 -73.594 43.881 1.238 878 HD22 ASN 110 HD22 ASN 110 -72.358 45.044 0.765 879 H CYS 111 H CYS 111 -71.810 39.663 3.866 880 HA CYS 111 HA CYS 111 -70.127 41.270 5.635 881 HB2 CYS 111 HB2 CYS 111 -71.950 42.318 6.863 882 HB3 CYS 111 HB3 CYS 111 -72.030 42.789 5.167 883 HG CYS 111 HG CYS 111 -73.769 40.473 6.752 884 H GLY 112 H GLY 112 -70.444 40.708 7.963 885 HA2 GLY 112 HA2 GLY 112 -70.183 37.889 8.277 886 HA3 GLY 112 HA3 GLY 112 -70.215 39.079 9.574 887 H GLY 113 H GLY 113 -71.636 36.368 8.559 888 HA2 GLY 113 HA2 GLY 113 -73.383 35.156 9.420 889 HA3 GLY 113 HA3 GLY 113 -73.887 36.532 10.384 890 H LYS 114 H LYS 114 -75.338 34.538 8.634 891 HA LYS 114 HA LYS 114 -76.573 36.066 6.496 892 HB2 LYS 114 HB2 LYS 114 -76.068 33.524 6.569 893 HB3 LYS 114 HB3 LYS 114 -77.551 33.390 7.513 894 HG2 LYS 114 HG2 LYS 114 -78.696 34.706 5.605 895 HG3 LYS 114 HG3 LYS 114 -77.203 34.510 4.691 896 HD2 LYS 114 HD2 LYS 114 -78.968 32.277 5.779 897 HD3 LYS 114 HD3 LYS 114 -78.966 32.840 4.117 898 HE2 LYS 114 HE2 LYS 114 -76.597 31.530 5.524 899 HE3 LYS 114 HE3 LYS 114 -77.745 30.704 4.483 900 HZ1 LYS 114 HZ1 LYS 114 -75.845 31.268 3.183 901 HZ2 LYS 114 HZ2 LYS 114 -77.052 32.238 2.670 902 HZ3 LYS 114 HZ3 LYS 114 -75.867 32.819 3.638 903 H GLY 115 H GLY 115 -77.017 37.720 8.352 904 HA2 GLY 115 HA2 GLY 115 -79.220 37.288 10.142 905 HA3 GLY 115 HA3 GLY 115 -78.402 38.814 9.821 906 H HIS 116 H HIS 116 -79.365 38.185 6.806 907 HA HIS 116 HA HIS 116 -82.228 38.861 7.066 908 HB2 HIS 116 HB2 HIS 116 -81.990 40.928 5.701 909 HB3 HIS 116 HB3 HIS 116 -81.316 41.016 7.300 910 HD1 HIS 116 HD1 HIS 116 -80.366 41.793 3.834 911 HD2 HIS 116 HD2 HIS 116 -78.615 41.048 7.567 912 HE1 HIS 116 HE1 HIS 116 -78.080 42.945 3.811 913 H PHE 117 H PHE 117 -82.611 39.724 4.432 914 HA PHE 117 HA PHE 117 -82.836 37.240 3.010 915 HB2 PHE 117 HB2 PHE 117 -83.368 40.103 2.151 916 HB3 PHE 117 HB3 PHE 117 -83.932 38.667 1.313 917 HD1 PHE 117 HD2 PHE 117 -85.237 36.919 2.978 918 HD2 PHE 117 HD1 PHE 117 -84.999 41.201 3.450 919 HE1 PHE 117 HE2 PHE 117 -87.309 36.891 4.337 920 HE2 PHE 117 HE1 PHE 117 -87.067 41.158 4.813 921 HZ PHE 117 HZ PHE 117 -88.224 39.008 5.261 922 H GLY 118 H GLY 118 -80.233 37.500 3.473 923 HA2 GLY 118 HA2 GLY 118 -78.302 38.771 2.206 924 HA3 GLY 118 HA3 GLY 118 -78.218 37.067 2.620 925 H ASP 119 H ASP 119 -80.256 36.422 0.400 926 HA ASP 119 HA ASP 119 -78.438 35.964 -1.790 927 HB2 ASP 119 HB2 ASP 119 -80.448 34.611 -1.338 928 HB3 ASP 119 HB3 ASP 119 -81.475 35.996 -1.676 929 H ASP 120 H ASP 120 -80.828 38.506 -1.122 930 HA ASP 120 HA ASP 120 -79.713 40.222 -3.304 931 HB2 ASP 120 HB2 ASP 120 -82.172 39.563 -3.427 932 HB3 ASP 120 HB3 ASP 120 -82.409 40.479 -1.940 933 H CYS 121 H CYS 121 -80.038 39.811 0.056 934 HA CYS 121 HA CYS 121 -79.147 40.792 1.828 935 HB2 CYS 121 HB2 CYS 121 -77.290 40.558 -0.010 936 HB3 CYS 121 HB3 CYS 121 -77.253 42.323 0.076 937 HG CYS 121 HG CYS 121 -75.347 41.214 1.513 938 H LYS 122 H LYS 122 -81.452 41.962 1.344 939 HA LYS 122 HA LYS 122 -81.058 44.734 2.397 940 HB2 LYS 122 HB2 LYS 122 -83.214 43.793 0.462 941 HB3 LYS 122 HB3 LYS 122 -83.163 45.381 1.239 942 HG2 LYS 122 HG2 LYS 122 -80.975 45.853 0.179 943 HG3 LYS 122 HG3 LYS 122 -81.008 44.264 -0.602 944 HD2 LYS 122 HD2 LYS 122 -83.150 44.964 -1.763 945 HD3 LYS 122 HD3 LYS 122 -82.917 46.579 -1.087 946 HE2 LYS 122 HE2 LYS 122 -82.056 46.538 -3.345 947 HE3 LYS 122 HE3 LYS 122 -80.710 46.747 -2.225 948 HZ1 LYS 122 HZ1 LYS 122 -80.162 44.412 -2.517 949 HZ2 LYS 122 HZ2 LYS 122 -81.501 44.141 -3.359 950 HZ3 LYS 122 HZ3 LYS 122 -80.322 45.056 -4.024 951 H GLU 123 H GLU 123 -83.010 45.496 3.621 952 HA GLU 123 HA GLU 123 -83.534 43.477 5.684 953 HB2 GLU 123 HB2 GLU 123 -84.113 45.292 7.097 954 HB3 GLU 123 HB3 GLU 123 -82.660 45.734 6.203 955 HG2 GLU 123 HG2 GLU 123 -84.111 47.046 4.608 956 HG3 GLU 123 HG3 GLU 123 -85.499 46.690 5.624 957 H LYS 124 H LYS 124 -85.335 44.629 3.041 958 HA LYS 124 HA LYS 124 -87.855 43.405 3.984 959 HB2 LYS 124 HB2 LYS 124 -87.894 45.815 4.667 960 HB3 LYS 124 HB3 LYS 124 -87.672 46.273 2.975 961 HG2 LYS 124 HG2 LYS 124 -89.831 45.211 2.392 962 HG3 LYS 124 HG3 LYS 124 -89.997 44.614 4.047 963 HD2 LYS 124 HD2 LYS 124 -91.419 46.544 3.730 964 HD3 LYS 124 HD3 LYS 124 -90.143 46.934 4.887 965 HE2 LYS 124 HE2 LYS 124 -88.876 48.094 3.095 966 HE3 LYS 124 HE3 LYS 124 -90.123 47.665 1.928 967 HZ1 LYS 124 HZ1 LYS 124 -90.413 49.922 2.765 968 HZ2 LYS 124 HZ2 LYS 124 -91.693 49.014 3.200 969 HZ3 LYS 124 HZ3 LYS 124 -90.545 49.397 4.301 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -25.983 14.374 2.721 2 H2 LYS 1 H2 LYS 1 -25.591 15.447 1.553 3 H3 LYS 1 H3 LYS 1 -26.344 15.965 2.909 4 HA LYS 1 HA LYS 1 -24.012 16.546 2.937 5 HB2 LYS 1 HB2 LYS 1 -23.451 15.763 5.159 6 HB3 LYS 1 HB3 LYS 1 -25.133 16.249 5.071 7 HG2 LYS 1 HG2 LYS 1 -25.781 13.811 4.891 8 HG3 LYS 1 HG3 LYS 1 -24.076 13.387 5.132 9 HD2 LYS 1 HD2 LYS 1 -24.095 14.494 7.337 10 HD3 LYS 1 HD3 LYS 1 -25.773 15.012 7.075 11 HE2 LYS 1 HE2 LYS 1 -26.429 12.600 6.853 12 HE3 LYS 1 HE3 LYS 1 -24.783 12.138 7.257 13 HZ1 LYS 1 HZ1 LYS 1 -25.095 13.284 9.415 14 HZ2 LYS 1 HZ2 LYS 1 -26.634 13.656 9.015 15 HZ3 LYS 1 HZ3 LYS 1 -26.204 12.102 9.215 16 H GLU 2 H GLU 2 -21.826 15.999 2.810 17 HA GLU 2 HA GLU 2 -21.261 13.687 1.127 18 HB2 GLU 2 HB2 GLU 2 -20.300 15.963 0.822 19 HB3 GLU 2 HB3 GLU 2 -19.378 15.759 2.316 20 HG2 GLU 2 HG2 GLU 2 -18.147 13.873 1.319 21 HG3 GLU 2 HG3 GLU 2 -19.163 13.941 -0.116 22 H ALA 3 H ALA 3 -20.693 14.503 4.525 23 HA ALA 3 HA ALA 3 -20.164 11.681 5.126 24 HB1 ALA 3 HB1 ALA 3 -18.112 12.180 6.411 25 HB2 ALA 3 HB2 ALA 3 -17.899 12.582 4.700 26 HB3 ALA 3 HB3 ALA 3 -18.183 13.876 5.881 27 H ALA 4 H ALA 4 -20.971 11.080 7.065 28 HA ALA 4 HA ALA 4 -22.188 13.014 8.904 29 HB1 ALA 4 HB1 ALA 4 -21.948 9.976 9.025 30 HB2 ALA 4 HB2 ALA 4 -22.826 10.997 10.174 31 HB3 ALA 4 HB3 ALA 4 -23.338 10.914 8.476 32 HA PRO 5 HA PRO 5 -18.663 11.664 11.811 33 HB2 PRO 5 HB2 PRO 5 -16.505 10.220 10.961 34 HB3 PRO 5 HB3 PRO 5 -18.058 9.470 11.443 35 HG2 PRO 5 HG2 PRO 5 -17.170 10.190 8.618 36 HG3 PRO 5 HG3 PRO 5 -17.767 8.603 9.218 37 HD2 PRO 5 HD2 PRO 5 -19.414 10.310 8.015 38 HD3 PRO 5 HD3 PRO 5 -19.942 9.451 9.500 39 H LYS 6 H LYS 6 -17.480 12.403 8.564 40 HA LYS 6 HA LYS 6 -15.903 13.708 7.649 41 HB2 LYS 6 HB2 LYS 6 -17.281 15.380 9.063 42 HB3 LYS 6 HB3 LYS 6 -15.860 15.510 10.079 43 HG2 LYS 6 HG2 LYS 6 -15.963 16.030 7.071 44 HG3 LYS 6 HG3 LYS 6 -16.140 17.256 8.325 45 HD2 LYS 6 HD2 LYS 6 -13.847 16.900 9.093 46 HD3 LYS 6 HD3 LYS 6 -13.624 15.584 7.929 47 HE2 LYS 6 HE2 LYS 6 -12.604 17.551 7.010 48 HE3 LYS 6 HE3 LYS 6 -14.000 17.099 6.049 49 HZ1 LYS 6 HZ1 LYS 6 -13.875 19.335 7.999 50 HZ2 LYS 6 HZ2 LYS 6 -13.989 19.465 6.393 51 HZ3 LYS 6 HZ3 LYS 6 -15.252 18.879 7.232 52 H CYS 7 H CYS 7 -14.857 13.653 11.047 53 HA CYS 7 HA CYS 7 -12.551 11.970 10.585 54 HB2 CYS 7 HB2 CYS 7 -11.758 14.257 9.809 55 HB3 CYS 7 HB3 CYS 7 -12.038 14.847 11.462 56 HG CYS 7 HG CYS 7 -10.149 12.372 10.401 57 H ASN 8 H ASN 8 -11.458 11.482 12.704 58 HA ASN 8 HA ASN 8 -13.307 11.423 14.954 59 HB2 ASN 8 HB2 ASN 8 -11.735 9.564 14.621 60 HB3 ASN 8 HB3 ASN 8 -10.363 10.670 14.698 61 HD21 ASN 8 HD22 ASN 8 -9.371 10.769 16.695 62 HD22 ASN 8 HD21 ASN 8 -10.187 10.375 18.204 63 H ASN 9 H ASN 9 -10.573 13.531 14.061 64 HA ASN 9 HA ASN 9 -11.318 15.372 16.264 65 HB2 ASN 9 HB2 ASN 9 -9.667 13.856 17.260 66 HB3 ASN 9 HB3 ASN 9 -8.530 14.181 15.955 67 HD21 ASN 9 HD22 ASN 9 -6.988 15.720 16.477 68 HD22 ASN 9 HD21 ASN 9 -7.242 16.989 17.669 69 H CYS 10 H CYS 10 -8.692 15.065 13.785 70 HA CYS 10 HA CYS 10 -8.809 17.957 13.322 71 HB2 CYS 10 HB2 CYS 10 -6.796 17.435 11.888 72 HB3 CYS 10 HB3 CYS 10 -6.651 17.123 13.618 73 HG CYS 10 HG CYS 10 -5.383 15.267 12.286 74 H SER 11 H SER 11 -10.555 18.503 12.224 75 HA SER 11 HA SER 11 -11.910 16.953 10.302 76 HB2 SER 11 HB2 SER 11 -13.320 19.114 10.219 77 HB3 SER 11 HB3 SER 11 -13.137 18.305 11.779 78 HG SER 11 HG SER 11 -12.679 20.563 11.869 79 H GLN 12 H GLN 12 -9.847 16.842 8.945 80 HA GLN 12 HA GLN 12 -10.436 18.398 6.487 81 HB2 GLN 12 HB2 GLN 12 -8.038 17.930 5.794 82 HB3 GLN 12 HB3 GLN 12 -8.358 19.214 6.941 83 HG2 GLN 12 HG2 GLN 12 -6.365 18.109 7.617 84 HG3 GLN 12 HG3 GLN 12 -7.593 17.798 8.819 85 HE21 GLN 12 HE21 GLN 12 -7.848 15.625 9.432 86 HE22 GLN 12 HE22 GLN 12 -7.100 14.304 8.579 87 H ARG 13 H ARG 13 -10.422 17.212 4.537 88 HA ARG 13 HA ARG 13 -11.672 14.620 4.928 89 HB2 ARG 13 HB2 ARG 13 -11.053 16.181 2.390 90 HB3 ARG 13 HB3 ARG 13 -11.943 14.659 2.440 91 HG2 ARG 13 HG2 ARG 13 -13.629 15.689 3.948 92 HG3 ARG 13 HG3 ARG 13 -12.813 17.246 3.803 93 HD2 ARG 13 HD2 ARG 13 -14.014 15.665 1.486 94 HD3 ARG 13 HD3 ARG 13 -14.818 16.981 2.340 95 HE ARG 13 HE ARG 13 -12.281 17.905 1.380 96 HH11 ARG 13 HH12 ARG 13 -15.471 17.160 0.061 97 HH12 ARG 13 HH11 ARG 13 -15.284 18.266 -1.269 98 HH21 ARG 13 HH21 ARG 13 -12.132 19.300 -0.357 99 HH22 ARG 13 HH22 ARG 13 -13.467 19.427 -1.479 100 H GLY 14 H GLY 14 -11.023 12.634 4.521 101 HA2 GLY 14 HA2 GLY 14 -9.351 11.409 2.893 102 HA3 GLY 14 HA3 GLY 14 -8.143 12.117 3.972 103 H HIS 15 H HIS 15 -9.581 11.819 6.442 104 HA HIS 15 HA HIS 15 -10.081 8.921 6.685 105 HB2 HIS 15 HB2 HIS 15 -8.587 8.686 8.617 106 HB3 HIS 15 HB3 HIS 15 -7.778 8.971 7.090 107 HD1 HIS 15 HD1 HIS 15 -5.782 9.446 9.011 108 HD2 HIS 15 HD2 HIS 15 -8.753 12.349 8.374 109 HE1 HIS 15 HE1 HIS 15 -4.877 11.625 9.952 110 H LEU 16 H LEU 16 -12.142 9.017 7.179 111 HA LEU 16 HA LEU 16 -13.363 10.683 9.179 112 HB2 LEU 16 HB2 LEU 16 -15.259 9.152 8.967 113 HB3 LEU 16 HB3 LEU 16 -14.658 9.770 7.441 114 HG LEU 16 HG LEU 16 -13.435 7.507 7.157 115 HD11 LEU 16 HD11 LEU 16 -14.543 5.607 8.341 116 HD12 LEU 16 HD12 LEU 16 -13.599 6.604 9.445 117 HD13 LEU 16 HD13 LEU 16 -15.380 6.760 9.391 118 HD21 LEU 16 HD21 LEU 16 -16.481 7.565 7.238 119 HD22 LEU 16 HD22 LEU 16 -15.455 8.162 5.915 120 HD23 LEU 16 HD23 LEU 16 -15.467 6.440 6.305 121 H LYS 17 H LYS 17 -14.694 9.315 10.966 122 HA LYS 17 HA LYS 17 -13.154 9.273 13.149 123 HB2 LYS 17 HB2 LYS 17 -15.758 8.915 12.774 124 HB3 LYS 17 HB3 LYS 17 -15.404 7.238 13.093 125 HG2 LYS 17 HG2 LYS 17 -14.749 9.614 14.882 126 HG3 LYS 17 HG3 LYS 17 -16.120 8.541 15.088 127 HD2 LYS 17 HD2 LYS 17 -13.182 7.777 15.412 128 HD3 LYS 17 HD3 LYS 17 -14.319 8.079 16.703 129 HE2 LYS 17 HE2 LYS 17 -14.625 5.820 14.675 130 HE3 LYS 17 HE3 LYS 17 -13.849 5.664 16.239 131 HZ1 LYS 17 HZ1 LYS 17 -16.154 4.981 16.364 132 HZ2 LYS 17 HZ2 LYS 17 -15.929 6.284 17.305 133 HZ3 LYS 17 HZ3 LYS 17 -16.688 6.438 15.866 134 H LYS 18 H LYS 18 -14.145 6.093 11.852 135 HA LYS 18 HA LYS 18 -12.071 4.656 13.277 136 HB2 LYS 18 HB2 LYS 18 -12.957 2.684 12.238 137 HB3 LYS 18 HB3 LYS 18 -14.269 3.668 12.865 138 HG2 LYS 18 HG2 LYS 18 -14.968 4.378 10.707 139 HG3 LYS 18 HG3 LYS 18 -13.471 3.860 9.934 140 HD2 LYS 18 HD2 LYS 18 -15.544 1.967 11.121 141 HD3 LYS 18 HD3 LYS 18 -15.373 2.391 9.407 142 HE2 LYS 18 HE2 LYS 18 -12.957 1.611 9.573 143 HE3 LYS 18 HE3 LYS 18 -13.341 0.936 11.150 144 HZ1 LYS 18 HZ1 LYS 18 -14.558 0.181 8.573 145 HZ2 LYS 18 HZ2 LYS 18 -13.504 -0.694 9.410 146 HZ3 LYS 18 HZ3 LYS 18 -15.027 -0.465 10.008 147 H ASP 19 H ASP 19 -11.819 6.377 10.386 148 HA ASP 19 HA ASP 19 -9.709 4.673 9.220 149 HB2 ASP 19 HB2 ASP 19 -11.550 6.128 8.001 150 HB3 ASP 19 HB3 ASP 19 -10.429 7.440 8.288 151 H CYS 20 H CYS 20 -10.035 7.535 11.231 152 HA CYS 20 HA CYS 20 -7.551 8.741 10.987 153 HB2 CYS 20 HB2 CYS 20 -9.696 9.524 12.115 154 HB3 CYS 20 HB3 CYS 20 -9.187 8.608 13.541 155 HG CYS 20 HG CYS 20 -6.787 9.816 13.656 156 HA PRO 21 HA PRO 21 -5.700 6.374 14.658 157 HB2 PRO 21 HB2 PRO 21 -6.545 3.949 15.537 158 HB3 PRO 21 HB3 PRO 21 -7.336 5.482 15.997 159 HG2 PRO 21 HG2 PRO 21 -8.146 3.587 13.766 160 HG3 PRO 21 HG3 PRO 21 -9.179 4.260 15.070 161 HD2 PRO 21 HD2 PRO 21 -9.071 5.376 12.602 162 HD3 PRO 21 HD3 PRO 21 -9.201 6.396 14.069 163 H HIS 22 H HIS 22 -4.074 4.744 14.982 164 HA HIS 22 HA HIS 22 -2.860 4.089 12.428 165 HB2 HIS 22 HB2 HIS 22 -0.823 3.924 13.766 166 HB3 HIS 22 HB3 HIS 22 -1.712 5.388 14.144 167 HD1 HIS 22 HD1 HIS 22 -1.117 1.883 15.689 168 HD2 HIS 22 HD2 HIS 22 -2.350 5.768 16.690 169 HE1 HIS 22 HE1 HIS 22 -1.376 1.919 18.217 170 H ILE 23 H ILE 23 -4.900 2.158 13.995 171 HA ILE 23 HA ILE 23 -3.236 -0.149 14.554 172 HB ILE 23 HB ILE 23 -5.413 -1.144 15.376 173 HG12 ILE 23 HG12 ILE 23 -7.274 0.329 15.847 174 HG13 ILE 23 HG13 ILE 23 -6.503 1.688 15.043 175 HG21 ILE 23 HG21 ILE 23 -3.744 -0.068 16.811 176 HG22 ILE 23 HG22 ILE 23 -4.503 1.514 16.542 177 HG23 ILE 23 HG23 ILE 23 -5.386 0.230 17.387 178 HD11 ILE 23 HD11 ILE 23 -6.766 0.579 12.858 179 HD12 ILE 23 HD12 ILE 23 -7.462 -0.854 13.664 180 HD13 ILE 23 HD13 ILE 23 -8.318 0.697 13.702 181 H ILE 24 H ILE 24 -3.258 0.396 11.739 182 HA ILE 24 HA ILE 24 -4.751 -1.941 10.633 183 HB ILE 24 HB ILE 24 -3.967 0.412 8.927 184 HG12 ILE 24 HG12 ILE 24 -6.579 0.219 10.488 185 HG13 ILE 24 HG13 ILE 24 -5.287 1.380 10.807 186 HG21 ILE 24 HG21 ILE 24 -4.690 -1.636 7.779 187 HG22 ILE 24 HG22 ILE 24 -6.144 -1.737 8.804 188 HG23 ILE 24 HG23 ILE 24 -5.966 -0.446 7.613 189 HD11 ILE 24 HD11 ILE 24 -7.033 1.314 8.334 190 HD12 ILE 24 HD12 ILE 24 -6.955 2.538 9.609 191 HD13 ILE 24 HD13 ILE 24 -5.574 2.324 8.519 192 H CYS 25 H CYS 25 -3.826 -3.273 9.138 193 HA CYS 25 HA CYS 25 -1.384 -4.318 9.578 194 HB2 CYS 25 HB2 CYS 25 -3.155 -5.392 8.295 195 HB3 CYS 25 HB3 CYS 25 -2.937 -4.241 6.963 196 HG CYS 25 HG CYS 25 -0.722 -6.415 8.141 197 H SER 26 H SER 26 0.605 -3.658 9.481 198 HA SER 26 HA SER 26 2.549 -2.652 8.939 199 HB2 SER 26 HB2 SER 26 1.715 -3.374 6.103 200 HB3 SER 26 HB3 SER 26 3.367 -3.227 6.744 201 HG SER 26 HG SER 26 2.963 -5.002 8.013 202 H TYR 27 H TYR 27 0.276 -0.694 8.855 203 HA TYR 27 HA TYR 27 -0.330 1.328 8.146 204 HB2 TYR 27 HB2 TYR 27 2.116 1.617 9.145 205 HB3 TYR 27 HB3 TYR 27 2.487 2.133 7.515 206 HD1 TYR 27 HD2 TYR 27 0.498 2.819 10.570 207 HD2 TYR 27 HD1 TYR 27 1.667 4.291 6.690 208 HE1 TYR 27 HE2 TYR 27 -0.357 5.073 11.172 209 HE2 TYR 27 HE1 TYR 27 0.800 6.548 7.291 210 HH TYR 27 HH TYR 27 -0.640 7.268 10.414 211 H CYS 28 H CYS 28 -0.237 -0.781 6.126 212 HA CYS 28 HA CYS 28 0.105 0.760 3.592 213 HB2 CYS 28 HB2 CYS 28 0.874 -1.172 2.546 214 HB3 CYS 28 HB3 CYS 28 1.643 -1.220 4.129 215 HG CYS 28 HG CYS 28 -0.180 -2.846 5.196 216 H GLY 29 H GLY 29 -2.172 -1.115 5.467 217 HA2 GLY 29 HA2 GLY 29 -4.181 -1.254 3.292 218 HA3 GLY 29 HA3 GLY 29 -4.257 -2.026 4.874 219 H ALA 30 H ALA 30 -6.322 -0.457 3.555 220 HA ALA 30 HA ALA 30 -6.797 1.528 5.735 221 HB1 ALA 30 HB1 ALA 30 -8.107 1.433 2.998 222 HB2 ALA 30 HB2 ALA 30 -8.432 2.601 4.292 223 HB3 ALA 30 HB3 ALA 30 -6.844 2.580 3.513 224 H THR 31 H THR 31 -8.624 1.340 6.930 225 HA THR 31 HA THR 31 -9.321 -1.259 7.654 226 HB THR 31 HB THR 31 -9.319 0.496 9.244 227 HG1 THR 31 HG1 THR 31 -10.856 -0.975 9.755 228 HG21 THR 31 HG21 THR 31 -10.977 2.282 9.349 229 HG22 THR 31 HG22 THR 31 -10.001 2.454 7.882 230 HG23 THR 31 HG23 THR 31 -11.654 1.782 7.785 231 H ASP 32 H ASP 32 -11.036 0.747 5.348 232 HA ASP 32 HA ASP 32 -13.291 -1.209 5.247 233 HB2 ASP 32 HB2 ASP 32 -13.057 1.613 4.192 234 HB3 ASP 32 HB3 ASP 32 -14.468 0.582 4.001 235 H ASP 33 H ASP 33 -10.392 -0.971 3.675 236 HA ASP 33 HA ASP 33 -11.495 -2.010 1.092 237 HB2 ASP 33 HB2 ASP 33 -11.092 0.475 1.039 238 HB3 ASP 33 HB3 ASP 33 -9.389 0.160 1.339 239 H HIS 34 H HIS 34 -9.020 -2.372 3.490 240 HA HIS 34 HA HIS 34 -6.909 -3.365 1.909 241 HB2 HIS 34 HB2 HIS 34 -6.637 -2.603 4.206 242 HB3 HIS 34 HB3 HIS 34 -7.662 -3.909 4.795 243 HD1 HIS 34 HD1 HIS 34 -6.338 -5.993 5.583 244 HD2 HIS 34 HD2 HIS 34 -4.290 -3.616 2.789 245 HE1 HIS 34 HE1 HIS 34 -4.021 -7.008 5.337 246 H TYR 35 H TYR 35 -6.292 -5.274 1.153 247 HA TYR 35 HA TYR 35 -7.773 -7.775 1.804 248 HB2 TYR 35 HB2 TYR 35 -6.984 -6.711 -0.925 249 HB3 TYR 35 HB3 TYR 35 -7.138 -8.429 -0.626 250 HD1 TYR 35 HD2 TYR 35 -9.307 -9.413 0.190 251 HD2 TYR 35 HD1 TYR 35 -8.974 -5.394 -1.345 252 HE1 TYR 35 HE2 TYR 35 -11.753 -9.386 -0.290 253 HE2 TYR 35 HE1 TYR 35 -11.409 -5.378 -1.834 254 HH TYR 35 HH TYR 35 -13.389 -6.630 -1.711 255 H SER 36 H SER 36 -6.445 -9.358 2.451 256 HA SER 36 HA SER 36 -3.623 -9.165 2.669 257 HB2 SER 36 HB2 SER 36 -5.067 -10.739 3.923 258 HB3 SER 36 HB3 SER 36 -5.333 -11.667 2.433 259 HG SER 36 HG SER 36 -3.545 -12.411 3.679 260 H ARG 37 H ARG 37 -5.639 -10.286 0.014 261 HA ARG 37 HA ARG 37 -3.684 -11.490 -1.686 262 HB2 ARG 37 HB2 ARG 37 -6.238 -9.986 -2.403 263 HB3 ARG 37 HB3 ARG 37 -5.341 -11.062 -3.472 264 HG2 ARG 37 HG2 ARG 37 -5.767 -12.965 -1.936 265 HG3 ARG 37 HG3 ARG 37 -6.750 -11.922 -0.902 266 HD2 ARG 37 HD2 ARG 37 -7.295 -12.505 -3.837 267 HD3 ARG 37 HD3 ARG 37 -8.075 -13.318 -2.479 268 HE ARG 37 HE ARG 37 -8.509 -10.554 -2.100 269 HH11 ARG 37 HH11 ARG 37 -9.490 -13.001 -4.431 270 HH12 ARG 37 HH12 ARG 37 -10.967 -12.154 -4.832 271 HH21 ARG 37 HH21 ARG 37 -10.410 -9.533 -2.661 272 HH22 ARG 37 HH22 ARG 37 -11.464 -10.242 -3.857 273 H HIS 38 H HIS 38 -4.236 -8.103 -1.026 274 HA HIS 38 HA HIS 38 -2.603 -7.310 -3.416 275 HB2 HIS 38 HB2 HIS 38 -5.086 -5.946 -2.331 276 HB3 HIS 38 HB3 HIS 38 -4.163 -5.468 -3.751 277 HD1 HIS 38 HD1 HIS 38 -7.323 -6.876 -3.281 278 HD2 HIS 38 HD2 HIS 38 -3.923 -8.095 -5.424 279 HE1 HIS 38 HE1 HIS 38 -8.136 -8.516 -5.040 280 H CYS 39 H CYS 39 -2.997 -6.800 -0.013 281 HA CYS 39 HA CYS 39 -2.242 -5.305 1.454 282 HB2 CYS 39 HB2 CYS 39 0.080 -6.512 0.104 283 HB3 CYS 39 HB3 CYS 39 0.405 -5.176 1.228 284 HG CYS 39 HG CYS 39 -1.293 -7.954 1.813 285 HA PRO 40 HA PRO 40 -0.417 -1.474 0.874 286 HB2 PRO 40 HB2 PRO 40 1.269 -1.054 -1.552 287 HB3 PRO 40 HB3 PRO 40 1.690 -0.830 0.168 288 HG2 PRO 40 HG2 PRO 40 2.642 -2.946 -1.244 289 HG3 PRO 40 HG3 PRO 40 2.082 -3.169 0.448 290 HD2 PRO 40 HD2 PRO 40 0.502 -3.601 -2.113 291 HD3 PRO 40 HD3 PRO 40 0.802 -4.773 -0.830 292 H LYS 41 H LYS 41 -2.193 -2.175 -1.867 293 HA LYS 41 HA LYS 41 -2.205 0.255 -3.345 294 HB2 LYS 41 HB2 LYS 41 -4.309 -1.942 -3.159 295 HB3 LYS 41 HB3 LYS 41 -4.311 -0.643 -4.350 296 HG2 LYS 41 HG2 LYS 41 -2.045 -1.402 -5.129 297 HG3 LYS 41 HG3 LYS 41 -2.209 -2.820 -4.078 298 HD2 LYS 41 HD2 LYS 41 -4.284 -3.469 -5.285 299 HD3 LYS 41 HD3 LYS 41 -4.141 -2.026 -6.305 300 HE2 LYS 41 HE2 LYS 41 -1.917 -2.842 -7.096 301 HE3 LYS 41 HE3 LYS 41 -2.142 -4.316 -6.160 302 HZ1 LYS 41 HZ1 LYS 41 -4.116 -4.789 -7.520 303 HZ2 LYS 41 HZ2 LYS 41 -3.899 -3.416 -8.380 304 HZ3 LYS 41 HZ3 LYS 41 -2.807 -4.617 -8.474 305 H ALA 42 H ALA 42 -3.356 -0.010 -0.269 306 HA ALA 42 HA ALA 42 -5.673 1.802 -0.592 307 HB1 ALA 42 HB1 ALA 42 -5.808 -0.272 0.747 308 HB2 ALA 42 HB2 ALA 42 -4.538 0.359 1.822 309 HB3 ALA 42 HB3 ALA 42 -6.118 1.186 1.713 310 H ILE 43 H ILE 43 -2.326 1.977 0.449 311 HA ILE 43 HA ILE 43 -2.697 4.828 1.284 312 HB ILE 43 HB ILE 43 -1.189 2.629 2.711 313 HG12 ILE 43 HG12 ILE 43 -3.296 4.653 3.616 314 HG13 ILE 43 HG13 ILE 43 -3.664 3.002 3.138 315 HG21 ILE 43 HG21 ILE 43 -0.350 4.366 4.302 316 HG22 ILE 43 HG22 ILE 43 0.348 4.541 2.704 317 HG23 ILE 43 HG23 ILE 43 -0.962 5.630 3.215 318 HD11 ILE 43 HD11 ILE 43 -2.315 2.123 4.995 319 HD12 ILE 43 HD12 ILE 43 -2.047 3.790 5.580 320 HD13 ILE 43 HD13 ILE 43 -3.686 3.133 5.503 321 H GLN 44 H GLN 44 -0.892 2.648 -0.716 322 HA GLN 44 HA GLN 44 0.086 5.131 -1.946 323 HB2 GLN 44 HB2 GLN 44 2.155 4.313 -2.659 324 HB3 GLN 44 HB3 GLN 44 2.098 4.081 -0.921 325 HG2 GLN 44 HG2 GLN 44 1.825 1.699 -1.152 326 HG3 GLN 44 HG3 GLN 44 1.494 1.818 -2.882 327 HE21 GLN 44 HE22 GLN 44 3.319 2.627 -4.309 328 HE22 GLN 44 HE21 GLN 44 4.961 2.250 -3.811 329 H CYS 45 H CYS 45 0.674 4.683 -4.290 330 HA CYS 45 HA CYS 45 -1.036 2.592 -5.546 331 HB2 CYS 45 HB2 CYS 45 -1.406 4.144 -7.433 332 HB3 CYS 45 HB3 CYS 45 -2.057 4.776 -5.922 333 HG CYS 45 HG CYS 45 -0.221 6.392 -5.373 334 H SER 46 H SER 46 -0.123 2.523 -8.023 335 HA SER 46 HA SER 46 2.413 1.173 -7.741 336 HB2 SER 46 HB2 SER 46 2.007 0.706 -10.165 337 HB3 SER 46 HB3 SER 46 0.603 0.333 -9.147 338 HG SER 46 HG SER 46 0.054 1.624 -10.963 339 H LYS 47 H LYS 47 1.597 4.426 -8.693 340 HA LYS 47 HA LYS 47 4.054 4.792 -10.316 341 HB2 LYS 47 HB2 LYS 47 1.790 6.733 -9.745 342 HB3 LYS 47 HB3 LYS 47 3.079 6.957 -10.909 343 HG2 LYS 47 HG2 LYS 47 0.841 4.899 -11.032 344 HG3 LYS 47 HG3 LYS 47 1.040 6.316 -12.048 345 HD2 LYS 47 HD2 LYS 47 2.840 3.854 -12.048 346 HD3 LYS 47 HD3 LYS 47 1.612 4.267 -13.243 347 HE2 LYS 47 HE2 LYS 47 2.854 6.352 -13.800 348 HE3 LYS 47 HE3 LYS 47 4.111 5.903 -12.655 349 HZ1 LYS 47 HZ1 LYS 47 4.685 5.252 -14.922 350 HZ2 LYS 47 HZ2 LYS 47 4.543 3.921 -13.993 351 HZ3 LYS 47 HZ3 LYS 47 3.358 4.318 -15.048 352 H CYS 48 H CYS 48 2.837 5.820 -7.162 353 HA CYS 48 HA CYS 48 5.525 6.614 -6.373 354 HB2 CYS 48 HB2 CYS 48 4.880 8.912 -5.671 355 HB3 CYS 48 HB3 CYS 48 4.836 8.692 -7.416 356 HG CYS 48 HG CYS 48 2.871 10.225 -6.701 357 H ASP 49 H ASP 49 5.578 7.339 -4.082 358 HA ASP 49 HA ASP 49 4.478 5.229 -2.522 359 HB2 ASP 49 HB2 ASP 49 6.113 7.637 -1.659 360 HB3 ASP 49 HB3 ASP 49 5.907 6.148 -0.751 361 H GLU 50 H GLU 50 2.456 7.360 -3.387 362 HA GLU 50 HA GLU 50 1.298 8.074 -0.736 363 HB2 GLU 50 HB2 GLU 50 1.614 9.964 -3.098 364 HB3 GLU 50 HB3 GLU 50 0.729 10.305 -1.606 365 HG2 GLU 50 HG2 GLU 50 2.849 9.929 -0.313 366 HG3 GLU 50 HG3 GLU 50 3.721 9.778 -1.832 367 H VAL 51 H VAL 51 -0.935 8.611 -0.752 368 HA VAL 51 HA VAL 51 -2.351 6.447 -1.720 369 HB VAL 51 HB VAL 51 -3.774 8.988 -0.869 370 HG11 VAL 51 HG11 VAL 51 -5.282 7.358 0.211 371 HG12 VAL 51 HG12 VAL 51 -5.125 6.995 -1.512 372 HG13 VAL 51 HG13 VAL 51 -4.234 6.026 -0.317 373 HG21 VAL 51 HG21 VAL 51 -3.512 8.356 1.477 374 HG22 VAL 51 HG22 VAL 51 -2.349 7.091 1.035 375 HG23 VAL 51 HG23 VAL 51 -1.973 8.814 0.769 376 H GLY 52 H GLY 52 -3.194 5.926 -3.639 377 HA2 GLY 52 HA2 GLY 52 -4.399 6.007 -5.605 378 HA3 GLY 52 HA3 GLY 52 -5.325 7.251 -4.775 379 H HIS 53 H HIS 53 -5.786 8.215 -6.789 380 HA HIS 53 HA HIS 53 -3.772 10.263 -7.504 381 HB2 HIS 53 HB2 HIS 53 -5.100 8.413 -9.498 382 HB3 HIS 53 HB3 HIS 53 -4.540 10.013 -9.964 383 HD1 HIS 53 HD1 HIS 53 -3.177 6.616 -9.786 384 HD2 HIS 53 HD2 HIS 53 -1.812 10.531 -9.133 385 HE1 HIS 53 HE1 HIS 53 -0.638 6.517 -9.870 386 H TYR 54 H TYR 54 -6.615 9.909 -6.108 387 HA TYR 54 HA TYR 54 -8.199 11.925 -7.494 388 HB2 TYR 54 HB2 TYR 54 -8.405 10.683 -4.731 389 HB3 TYR 54 HB3 TYR 54 -9.519 11.893 -5.344 390 HD1 TYR 54 HD1 TYR 54 -10.772 11.470 -7.522 391 HD2 TYR 54 HD2 TYR 54 -8.791 8.360 -5.285 392 HE1 TYR 54 HE1 TYR 54 -12.148 9.750 -8.686 393 HE2 TYR 54 HE2 TYR 54 -10.164 6.647 -6.452 394 HH TYR 54 HH TYR 54 -11.847 6.315 -8.047 395 H ARG 55 H ARG 55 -8.571 14.049 -6.898 396 HA ARG 55 HA ARG 55 -6.350 15.627 -6.163 397 HB2 ARG 55 HB2 ARG 55 -8.159 16.383 -7.619 398 HB3 ARG 55 HB3 ARG 55 -9.330 16.247 -6.319 399 HG2 ARG 55 HG2 ARG 55 -8.752 18.575 -6.783 400 HG3 ARG 55 HG3 ARG 55 -8.351 18.125 -5.133 401 HD2 ARG 55 HD2 ARG 55 -5.926 17.813 -5.911 402 HD3 ARG 55 HD3 ARG 55 -6.434 18.417 -7.479 403 HE ARG 55 HE ARG 55 -6.502 20.577 -6.646 404 HH11 ARG 55 HH11 ARG 55 -6.276 18.453 -3.841 405 HH12 ARG 55 HH12 ARG 55 -5.975 19.784 -2.751 406 HH21 ARG 55 HH21 ARG 55 -6.151 22.211 -5.185 407 HH22 ARG 55 HH22 ARG 55 -5.928 21.840 -3.491 408 H SER 56 H SER 56 -8.734 14.230 -4.060 409 HA SER 56 HA SER 56 -7.981 15.820 -1.696 410 HB2 SER 56 HB2 SER 56 -9.695 14.321 -0.642 411 HB3 SER 56 HB3 SER 56 -10.307 15.185 -2.064 412 HG SER 56 HG SER 56 -10.742 12.938 -2.163 413 H GLN 57 H GLN 57 -6.661 13.074 -3.248 414 HA GLN 57 HA GLN 57 -5.698 11.847 -0.689 415 HB2 GLN 57 HB2 GLN 57 -6.395 10.574 -3.358 416 HB3 GLN 57 HB3 GLN 57 -5.566 9.742 -2.042 417 HG2 GLN 57 HG2 GLN 57 -7.483 10.230 -0.526 418 HG3 GLN 57 HG3 GLN 57 -8.366 10.924 -1.890 419 HE21 GLN 57 HE22 GLN 57 -9.578 8.856 -0.565 420 HE22 GLN 57 HE21 GLN 57 -9.488 7.391 -1.535 421 H CYS 58 H CYS 58 -4.672 12.602 -4.056 422 HA CYS 58 HA CYS 58 -1.917 11.777 -3.326 423 HB2 CYS 58 HB2 CYS 58 -3.280 10.745 -5.263 424 HB3 CYS 58 HB3 CYS 58 -2.879 12.236 -6.142 425 HG CYS 58 HG CYS 58 -1.013 9.963 -4.729 426 HA PRO 59 HA PRO 59 -1.009 16.230 -3.584 427 HB2 PRO 59 HB2 PRO 59 1.667 15.254 -2.630 428 HB3 PRO 59 HB3 PRO 59 0.692 16.633 -2.041 429 HG2 PRO 59 HG2 PRO 59 0.782 14.340 -0.610 430 HG3 PRO 59 HG3 PRO 59 -0.794 15.162 -0.863 431 HD2 PRO 59 HD2 PRO 59 0.360 12.840 -2.449 432 HD3 PRO 59 HD3 PRO 59 -1.249 12.990 -1.677 433 H HIS 60 H HIS 60 0.580 17.556 -4.700 434 HA HIS 60 HA HIS 60 2.384 16.212 -6.640 435 HB2 HIS 60 HB2 HIS 60 0.563 18.568 -7.251 436 HB3 HIS 60 HB3 HIS 60 1.900 18.044 -8.267 437 HD1 HIS 60 HD1 HIS 60 1.527 15.802 -9.707 438 HD2 HIS 60 HD2 HIS 60 -1.670 16.996 -7.260 439 HE1 HIS 60 HE1 HIS 60 -0.478 14.430 -10.436 440 H LYS 61 H LYS 61 4.355 17.194 -6.918 441 HA LYS 61 HA LYS 61 5.265 18.846 -4.712 442 HB2 LYS 61 HB2 LYS 61 6.446 16.865 -5.728 443 HB3 LYS 61 HB3 LYS 61 6.837 17.869 -7.127 444 HG2 LYS 61 HG2 LYS 61 8.146 19.387 -5.695 445 HG3 LYS 61 HG3 LYS 61 7.631 18.497 -4.247 446 HD2 LYS 61 HD2 LYS 61 8.752 16.458 -5.121 447 HD3 LYS 61 HD3 LYS 61 9.321 17.363 -6.525 448 HE2 LYS 61 HE2 LYS 61 9.982 18.001 -3.616 449 HE3 LYS 61 HE3 LYS 61 11.010 17.069 -4.690 450 HZ1 LYS 61 HZ1 LYS 61 11.191 19.022 -6.129 451 HZ2 LYS 61 HZ2 LYS 61 10.263 19.908 -5.114 452 HZ3 LYS 61 HZ3 LYS 61 11.721 19.364 -4.631 453 H TRP 62 H TRP 62 4.168 19.654 -7.883 454 HA TRP 62 HA TRP 62 5.726 22.035 -8.284 455 HB2 TRP 62 HB2 TRP 62 4.612 20.944 -10.125 456 HB3 TRP 62 HB3 TRP 62 3.033 21.208 -9.391 457 HD1 TRP 62 HD1 TRP 62 5.923 23.170 -10.986 458 HE1 TRP 62 HE1 TRP 62 5.062 25.388 -11.915 459 HE3 TRP 62 HE3 TRP 62 1.100 22.938 -9.297 460 HZ2 TRP 62 HZ2 TRP 62 2.612 26.896 -11.919 461 HZ3 TRP 62 HZ3 TRP 62 -0.478 24.791 -9.784 462 HH2 TRP 62 HH2 TRP 62 0.264 26.766 -11.085 463 H LYS 63 H LYS 63 5.707 23.845 -7.264 464 HA LYS 63 HA LYS 63 3.232 25.251 -6.499 465 HB2 LYS 63 HB2 LYS 63 5.643 24.947 -4.649 466 HB3 LYS 63 HB3 LYS 63 4.325 26.068 -4.380 467 HG2 LYS 63 HG2 LYS 63 4.101 23.026 -4.391 468 HG3 LYS 63 HG3 LYS 63 4.203 24.040 -2.968 469 HD2 LYS 63 HD2 LYS 63 1.907 24.157 -4.976 470 HD3 LYS 63 HD3 LYS 63 1.908 23.244 -3.465 471 HE2 LYS 63 HE2 LYS 63 2.265 25.343 -2.190 472 HE3 LYS 63 HE3 LYS 63 2.219 26.265 -3.688 473 HZ1 LYS 63 HZ1 LYS 63 0.061 26.253 -2.583 474 HZ2 LYS 63 HZ2 LYS 63 -0.068 25.490 -4.018 475 HZ3 LYS 63 HZ3 LYS 63 -0.020 24.629 -2.629 476 H LYS 64 H LYS 64 3.469 27.513 -6.649 477 HA LYS 64 HA LYS 64 5.967 28.508 -7.969 478 HB2 LYS 64 HB2 LYS 64 4.105 28.006 -9.560 479 HB3 LYS 64 HB3 LYS 64 3.119 29.226 -8.749 480 HG2 LYS 64 HG2 LYS 64 4.738 30.977 -9.371 481 HG3 LYS 64 HG3 LYS 64 5.819 29.752 -10.069 482 HD2 LYS 64 HD2 LYS 64 4.103 29.198 -11.770 483 HD3 LYS 64 HD3 LYS 64 2.979 30.329 -11.013 484 HE2 LYS 64 HE2 LYS 64 3.876 31.449 -12.898 485 HE3 LYS 64 HE3 LYS 64 4.580 32.196 -11.473 486 HZ1 LYS 64 HZ1 LYS 64 6.232 31.775 -13.208 487 HZ2 LYS 64 HZ2 LYS 64 6.612 30.914 -11.881 488 HZ3 LYS 64 HZ3 LYS 64 5.937 30.177 -13.179 489 H VAL 65 H VAL 65 6.592 30.593 -7.614 490 HA VAL 65 HA VAL 65 5.389 31.970 -5.246 491 HB VAL 65 HB VAL 65 7.595 32.795 -4.686 492 HG11 VAL 65 HG11 VAL 65 8.591 30.702 -3.888 493 HG12 VAL 65 HG12 VAL 65 6.830 30.671 -3.692 494 HG13 VAL 65 HG13 VAL 65 7.598 29.765 -5.012 495 HG21 VAL 65 HG21 VAL 65 8.684 31.043 -6.933 496 HG22 VAL 65 HG22 VAL 65 8.682 32.821 -6.909 497 HG23 VAL 65 HG23 VAL 65 9.639 31.925 -5.727 498 H GLN 66 H GLN 66 5.363 34.237 -5.165 499 HA GLN 66 HA GLN 66 5.106 35.498 -7.822 500 HB2 GLN 66 HB2 GLN 66 3.755 37.126 -6.792 501 HB3 GLN 66 HB3 GLN 66 3.281 35.558 -6.182 502 HG2 GLN 66 HG2 GLN 66 3.225 36.736 -4.233 503 HG3 GLN 66 HG3 GLN 66 4.884 36.173 -4.137 504 HE21 GLN 66 HE22 GLN 66 2.837 39.001 -5.107 505 HE22 GLN 66 HE21 GLN 66 4.102 40.183 -4.785 506 H CYS 67 H CYS 67 7.540 35.388 -5.437 507 HA CYS 67 HA CYS 67 8.430 38.137 -5.772 508 HB2 CYS 67 HB2 CYS 67 9.926 35.920 -4.364 509 HB3 CYS 67 HB3 CYS 67 10.012 37.666 -4.106 510 HG CYS 67 HG CYS 67 7.392 37.787 -3.388 511 H THR 68 H THR 68 9.050 38.442 -7.853 512 HA THR 68 HA THR 68 10.894 38.805 -9.362 513 HB THR 68 HB THR 68 12.263 40.291 -7.895 514 HG1 THR 68 HG1 THR 68 11.591 40.308 -5.709 515 HG21 THR 68 HG21 THR 68 10.477 41.772 -7.224 516 HG22 THR 68 HG22 THR 68 9.972 41.005 -8.737 517 HG23 THR 68 HG23 THR 68 9.296 40.453 -7.187 518 H LEU 69 H LEU 69 12.673 37.970 -6.443 519 HA LEU 69 HA LEU 69 14.866 36.769 -8.035 520 HB2 LEU 69 HB2 LEU 69 16.323 37.653 -6.316 521 HB3 LEU 69 HB3 LEU 69 15.253 38.895 -6.920 522 HG LEU 69 HG LEU 69 13.777 38.197 -4.761 523 HD11 LEU 69 HD11 LEU 69 15.313 36.399 -3.961 524 HD12 LEU 69 HD12 LEU 69 16.635 37.586 -3.882 525 HD13 LEU 69 HD13 LEU 69 15.220 37.745 -2.823 526 HD21 LEU 69 HD21 LEU 69 16.257 39.959 -4.683 527 HD22 LEU 69 HD22 LEU 69 14.633 40.435 -5.225 528 HD23 LEU 69 HD23 LEU 69 14.903 40.016 -3.529 529 H CYS 70 H CYS 70 12.464 35.670 -5.930 530 HA CYS 70 HA CYS 70 14.089 33.854 -4.334 531 HB2 CYS 70 HB2 CYS 70 11.082 34.175 -4.627 532 HB3 CYS 70 HB3 CYS 70 11.877 33.138 -3.442 533 HG CYS 70 HG CYS 70 13.272 34.990 -2.264 534 H LYS 71 H LYS 71 13.695 31.598 -4.172 535 HA LYS 71 HA LYS 71 12.720 30.185 -6.596 536 HB2 LYS 71 HB2 LYS 71 15.159 30.173 -6.666 537 HB3 LYS 71 HB3 LYS 71 15.252 29.603 -5.013 538 HG2 LYS 71 HG2 LYS 71 15.742 27.803 -6.530 539 HG3 LYS 71 HG3 LYS 71 14.244 27.439 -5.688 540 HD2 LYS 71 HD2 LYS 71 12.969 28.196 -7.746 541 HD3 LYS 71 HD3 LYS 71 14.526 28.481 -8.548 542 HE2 LYS 71 HE2 LYS 71 15.121 26.098 -8.228 543 HE3 LYS 71 HE3 LYS 71 13.598 25.821 -7.393 544 HZ1 LYS 71 HZ1 LYS 71 13.472 25.155 -9.715 545 HZ2 LYS 71 HZ2 LYS 71 12.430 26.373 -9.443 546 HZ3 LYS 71 HZ3 LYS 71 13.838 26.655 -10.228 547 H SER 72 H SER 72 11.722 28.209 -6.204 548 HA SER 72 HA SER 72 10.080 27.965 -3.897 549 HB2 SER 72 HB2 SER 72 9.701 25.642 -4.954 550 HB3 SER 72 HB3 SER 72 9.298 27.065 -5.928 551 HG SER 72 HG SER 72 10.600 25.532 -7.047 552 H LYS 73 H LYS 73 10.224 26.756 -2.119 553 HA LYS 73 HA LYS 73 11.180 25.911 -0.268 554 HB2 LYS 73 HB2 LYS 73 10.860 23.923 -1.921 555 HB3 LYS 73 HB3 LYS 73 12.618 23.883 -1.975 556 HG2 LYS 73 HG2 LYS 73 12.586 23.641 0.574 557 HG3 LYS 73 HG3 LYS 73 10.820 23.573 0.473 558 HD2 LYS 73 HD2 LYS 73 10.964 21.553 -0.944 559 HD3 LYS 73 HD3 LYS 73 12.737 21.651 -0.918 560 HE2 LYS 73 HE2 LYS 73 12.698 21.429 1.557 561 HE3 LYS 73 HE3 LYS 73 10.945 21.296 1.520 562 HZ1 LYS 73 HZ1 LYS 73 12.830 19.382 0.256 563 HZ2 LYS 73 HZ2 LYS 73 11.987 19.117 1.622 564 HZ3 LYS 73 HZ3 LYS 73 11.199 19.256 0.204 565 H LYS 74 H LYS 74 12.795 28.021 -1.654 566 HA LYS 74 HA LYS 74 15.367 27.586 -0.201 567 HB2 LYS 74 HB2 LYS 74 15.302 27.241 -2.793 568 HB3 LYS 74 HB3 LYS 74 15.285 29.005 -2.860 569 HG2 LYS 74 HG2 LYS 74 17.427 29.068 -1.593 570 HG3 LYS 74 HG3 LYS 74 17.381 27.315 -1.404 571 HD2 LYS 74 HD2 LYS 74 17.574 28.762 -4.080 572 HD3 LYS 74 HD3 LYS 74 18.948 28.145 -3.154 573 HE2 LYS 74 HE2 LYS 74 17.928 25.848 -3.254 574 HE3 LYS 74 HE3 LYS 74 16.684 26.480 -4.327 575 HZ1 LYS 74 HZ1 LYS 74 18.467 27.094 -5.895 576 HZ2 LYS 74 HZ2 LYS 74 19.600 26.485 -4.888 577 HZ3 LYS 74 HZ3 LYS 74 18.512 25.493 -5.575 578 H HIS 75 H HIS 75 12.799 29.322 0.244 579 HA HIS 75 HA HIS 75 14.342 31.384 1.580 580 HB2 HIS 75 HB2 HIS 75 13.428 33.304 0.691 581 HB3 HIS 75 HB3 HIS 75 13.772 32.352 -0.740 582 HD1 HIS 75 HD1 HIS 75 11.433 31.121 -1.830 583 HD2 HIS 75 HD2 HIS 75 11.009 34.176 1.022 584 HE1 HIS 75 HE1 HIS 75 9.043 31.984 -2.040 585 H SER 76 H SER 76 12.825 32.809 2.964 586 HA SER 76 HA SER 76 10.763 31.018 4.191 587 HB2 SER 76 HB2 SER 76 12.890 30.844 5.345 588 HB3 SER 76 HB3 SER 76 12.935 32.604 5.584 589 HG SER 76 HG SER 76 11.945 31.205 7.283 590 H LYS 77 H LYS 77 9.219 31.857 5.461 591 HA LYS 77 HA LYS 77 8.125 34.526 5.043 592 HB2 LYS 77 HB2 LYS 77 7.364 32.287 6.964 593 HB3 LYS 77 HB3 LYS 77 6.476 33.803 6.772 594 HG2 LYS 77 HG2 LYS 77 6.190 33.273 4.323 595 HG3 LYS 77 HG3 LYS 77 6.870 31.671 4.631 596 HD2 LYS 77 HD2 LYS 77 4.362 32.823 5.932 597 HD3 LYS 77 HD3 LYS 77 4.393 31.683 4.583 598 HE2 LYS 77 HE2 LYS 77 5.566 30.023 6.015 599 HE3 LYS 77 HE3 LYS 77 5.498 31.146 7.370 600 HZ1 LYS 77 HZ1 LYS 77 3.068 31.047 7.249 601 HZ2 LYS 77 HZ2 LYS 77 3.132 29.997 5.998 602 HZ3 LYS 77 HZ3 LYS 77 3.682 29.554 7.467 603 H GLU 78 H GLU 78 10.642 33.432 6.988 604 HA GLU 78 HA GLU 78 10.684 35.650 8.865 605 HB2 GLU 78 HB2 GLU 78 11.983 33.449 9.003 606 HB3 GLU 78 HB3 GLU 78 13.028 34.076 7.741 607 HG2 GLU 78 HG2 GLU 78 14.091 34.406 9.857 608 HG3 GLU 78 HG3 GLU 78 13.638 35.993 9.279 609 H ARG 79 H ARG 79 9.751 36.578 6.570 610 HA ARG 79 HA ARG 79 9.817 38.063 4.874 611 HB2 ARG 79 HB2 ARG 79 11.518 39.545 6.891 612 HB3 ARG 79 HB3 ARG 79 10.501 40.251 5.641 613 HG2 ARG 79 HG2 ARG 79 9.574 38.736 8.117 614 HG3 ARG 79 HG3 ARG 79 9.392 40.449 7.758 615 HD2 ARG 79 HD2 ARG 79 7.948 39.806 5.786 616 HD3 ARG 79 HD3 ARG 79 7.982 38.140 6.345 617 HE ARG 79 HE ARG 79 6.620 40.464 7.589 618 HH11 ARG 79 HH11 ARG 79 7.246 36.991 7.990 619 HH12 ARG 79 HH12 ARG 79 5.940 36.836 9.131 620 HH21 ARG 79 HH22 ARG 79 4.991 40.129 9.028 621 HH22 ARG 79 HH21 ARG 79 4.719 38.537 9.693 622 H CYS 80 H CYS 80 11.394 36.213 3.967 623 HA CYS 80 HA CYS 80 12.653 35.825 2.151 624 HB2 CYS 80 HB2 CYS 80 12.068 38.780 1.794 625 HB3 CYS 80 HB3 CYS 80 12.784 37.811 0.515 626 HG CYS 80 HG CYS 80 10.181 38.117 0.180 627 HA PRO 81 HA PRO 81 16.956 36.119 2.451 628 HB2 PRO 81 HB2 PRO 81 17.164 37.319 -0.318 629 HB3 PRO 81 HB3 PRO 81 18.099 35.962 0.377 630 HG2 PRO 81 HG2 PRO 81 16.038 35.428 -1.260 631 HG3 PRO 81 HG3 PRO 81 16.137 34.530 0.295 632 HD2 PRO 81 HD2 PRO 81 14.515 37.004 -0.355 633 HD3 PRO 81 HD3 PRO 81 13.961 35.493 0.421 634 H SER 82 H SER 82 15.502 39.164 1.647 635 HA SER 82 HA SER 82 17.791 40.847 1.486 636 HB2 SER 82 HB2 SER 82 16.013 42.633 1.594 637 HB3 SER 82 HB3 SER 82 15.717 41.369 0.388 638 HG SER 82 HG SER 82 13.890 41.758 1.719 639 H ILE 83 H ILE 83 16.689 39.443 4.350 640 HA ILE 83 HA ILE 83 17.519 41.748 6.013 641 HB ILE 83 HB ILE 83 15.623 40.597 6.848 642 HG12 ILE 83 HG12 ILE 83 16.346 40.053 9.131 643 HG13 ILE 83 HG13 ILE 83 18.026 39.988 8.620 644 HG21 ILE 83 HG21 ILE 83 17.264 38.043 7.084 645 HG22 ILE 83 HG22 ILE 83 15.608 38.303 7.649 646 HG23 ILE 83 HG23 ILE 83 15.948 38.332 5.920 647 HD11 ILE 83 HD11 ILE 83 17.426 42.111 9.759 648 HD12 ILE 83 HD12 ILE 83 17.977 42.414 8.107 649 HD13 ILE 83 HD13 ILE 83 16.238 42.460 8.492 650 H TRP 84 H TRP 84 19.542 42.128 6.370 651 HA TRP 84 HA TRP 84 21.545 39.910 6.638 652 HB2 TRP 84 HB2 TRP 84 21.562 40.664 4.338 653 HB3 TRP 84 HB3 TRP 84 21.660 42.346 4.833 654 HD1 TRP 84 HD1 TRP 84 23.820 39.150 5.131 655 HE1 TRP 84 HE1 TRP 84 26.286 39.790 4.959 656 HE3 TRP 84 HE3 TRP 84 23.321 44.236 4.806 657 HZ2 TRP 84 HZ2 TRP 84 27.860 42.184 4.720 658 HZ3 TRP 84 HZ3 TRP 84 25.336 45.668 4.610 659 HH2 TRP 84 HH2 TRP 84 27.600 44.661 4.565 660 H ARG 85 H ARG 85 20.479 43.044 7.764 661 HA ARG 85 HA ARG 85 23.013 43.992 8.733 662 HB2 ARG 85 HB2 ARG 85 20.131 44.787 9.270 663 HB3 ARG 85 HB3 ARG 85 21.462 45.526 10.136 664 HG2 ARG 85 HG2 ARG 85 20.905 46.974 8.341 665 HG3 ARG 85 HG3 ARG 85 22.500 46.294 8.053 666 HD2 ARG 85 HD2 ARG 85 21.244 46.437 5.985 667 HD3 ARG 85 HD3 ARG 85 21.563 44.751 6.383 668 HE ARG 85 HE ARG 85 18.967 45.772 7.336 669 HH11 ARG 85 HH11 ARG 85 20.511 44.456 4.459 670 HH12 ARG 85 HH12 ARG 85 19.030 43.648 3.977 671 HH21 ARG 85 HH21 ARG 85 17.092 44.856 6.496 672 HH22 ARG 85 HH22 ARG 85 17.204 43.930 5.013 673 H ALA 86 H ALA 86 20.844 41.710 10.190 674 HA ALA 86 HA ALA 86 22.667 41.476 12.494 675 HB1 ALA 86 HB1 ALA 86 20.827 41.599 14.135 676 HB2 ALA 86 HB2 ALA 86 20.987 43.123 13.251 677 HB3 ALA 86 HB3 ALA 86 19.681 41.990 12.837 678 H TYR 87 H TYR 87 22.474 39.548 13.674 679 HA TYR 87 HA TYR 87 21.086 37.271 12.327 680 HB2 TYR 87 HB2 TYR 87 23.360 37.261 14.339 681 HB3 TYR 87 HB3 TYR 87 22.644 35.850 13.583 682 HD1 TYR 87 HD1 TYR 87 22.734 35.695 10.980 683 HD2 TYR 87 HD2 TYR 87 25.281 38.230 13.366 684 HE1 TYR 87 HE1 TYR 87 24.420 35.742 9.145 685 HE2 TYR 87 HE2 TYR 87 26.960 38.269 11.536 686 HH TYR 87 HH TYR 87 27.458 37.481 9.390 687 H ILE 88 H ILE 88 19.920 35.776 13.594 688 HA ILE 88 HA ILE 88 19.155 36.584 16.369 689 HB ILE 88 HB ILE 88 17.844 34.510 14.574 690 HG12 ILE 88 HG12 ILE 88 15.835 36.048 14.836 691 HG13 ILE 88 HG13 ILE 88 16.920 37.295 15.432 692 HG21 ILE 88 HG21 ILE 88 17.137 35.529 17.369 693 HG22 ILE 88 HG22 ILE 88 16.156 34.414 16.400 694 HG23 ILE 88 HG23 ILE 88 17.736 33.902 16.974 695 HD11 ILE 88 HD11 ILE 88 16.204 37.430 12.995 696 HD12 ILE 88 HD12 ILE 88 17.948 37.508 13.240 697 HD13 ILE 88 HD13 ILE 88 17.189 35.989 12.686 698 H LEU 89 H LEU 89 21.144 36.138 17.222 699 HA LEU 89 HA LEU 89 22.469 33.588 16.628 700 HB2 LEU 89 HB2 LEU 89 23.422 35.934 16.307 701 HB3 LEU 89 HB3 LEU 89 23.538 36.044 18.054 702 HG LEU 89 HG LEU 89 25.183 34.165 18.059 703 HD11 LEU 89 HD11 LEU 89 24.471 32.887 16.079 704 HD12 LEU 89 HD12 LEU 89 24.837 34.275 15.025 705 HD13 LEU 89 HD13 LEU 89 26.142 33.419 15.873 706 HD21 LEU 89 HD21 LEU 89 27.006 35.382 16.969 707 HD22 LEU 89 HD22 LEU 89 25.837 36.376 16.072 708 HD23 LEU 89 HD23 LEU 89 25.944 36.495 17.842 709 H VAL 90 H VAL 90 20.374 34.353 19.004 710 HA VAL 90 HA VAL 90 21.714 33.662 21.424 711 HB VAL 90 HB VAL 90 19.456 33.277 22.370 712 HG11 VAL 90 HG11 VAL 90 19.739 35.844 20.753 713 HG12 VAL 90 HG12 VAL 90 18.727 35.598 22.191 714 HG13 VAL 90 HG13 VAL 90 20.488 35.513 22.330 715 HG21 VAL 90 HG21 VAL 90 18.291 32.409 20.344 716 HG22 VAL 90 HG22 VAL 90 17.455 33.782 21.079 717 HG23 VAL 90 HG23 VAL 90 18.403 34.020 19.601 718 H ASP 91 H ASP 91 21.767 31.866 22.700 719 HA ASP 91 HA ASP 91 21.557 29.253 21.294 720 HB2 ASP 91 HB2 ASP 91 23.587 28.607 22.358 721 HB3 ASP 91 HB3 ASP 91 23.840 30.109 21.493 722 H ASP 92 H ASP 92 21.191 27.373 22.463 723 HA ASP 92 HA ASP 92 19.285 27.629 24.643 724 HB2 ASP 92 HB2 ASP 92 18.867 25.295 24.279 725 HB3 ASP 92 HB3 ASP 92 18.881 26.139 22.744 726 H ASN 93 H ASN 93 19.327 26.192 26.529 727 HA ASN 93 HA ASN 93 22.041 26.056 27.779 728 HB2 ASN 93 HB2 ASN 93 19.432 27.109 28.942 729 HB3 ASN 93 HB3 ASN 93 20.895 26.825 29.875 730 HD21 ASN 93 HD22 ASN 93 19.304 29.058 27.708 731 HD22 ASN 93 HD21 ASN 93 20.630 30.212 27.663 732 H GLU 94 H GLU 94 22.302 24.673 29.536 733 HA GLU 94 HA GLU 94 22.419 22.692 30.530 734 HB2 GLU 94 HB2 GLU 94 19.405 22.899 30.416 735 HB3 GLU 94 HB3 GLU 94 20.203 21.543 31.185 736 HG2 GLU 94 HG2 GLU 94 20.899 24.384 31.984 737 HG3 GLU 94 HG3 GLU 94 19.487 23.563 32.616 738 H LYS 95 H LYS 95 22.152 20.409 30.550 739 HA LYS 95 HA LYS 95 21.770 19.090 27.904 740 HB2 LYS 95 HB2 LYS 95 24.090 18.659 29.838 741 HB3 LYS 95 HB3 LYS 95 23.803 17.731 28.375 742 HG2 LYS 95 HG2 LYS 95 24.467 20.706 28.459 743 HG3 LYS 95 HG3 LYS 95 25.603 19.396 28.153 744 HD2 LYS 95 HD2 LYS 95 24.365 18.762 26.096 745 HD3 LYS 95 HD3 LYS 95 23.183 20.037 26.408 746 HE2 LYS 95 HE2 LYS 95 24.706 20.860 24.769 747 HE3 LYS 95 HE3 LYS 95 24.967 21.747 26.261 748 HZ1 LYS 95 HZ1 LYS 95 26.660 19.496 25.313 749 HZ2 LYS 95 HZ2 LYS 95 27.057 21.070 25.207 750 HZ3 LYS 95 HZ3 LYS 95 26.931 20.371 26.671 751 H ALA 96 H ALA 96 21.504 16.740 28.098 752 HA ALA 96 HA ALA 96 20.329 15.860 30.693 753 HB1 ALA 96 HB1 ALA 96 18.523 16.788 29.303 754 HB2 ALA 96 HB2 ALA 96 18.966 15.691 27.979 755 HB3 ALA 96 HB3 ALA 96 18.343 15.039 29.506 756 H LYS 97 H LYS 97 20.158 13.690 31.037 757 HA LYS 97 HA LYS 97 21.097 11.692 29.110 758 HB2 LYS 97 HB2 LYS 97 22.284 12.046 31.912 759 HB3 LYS 97 HB3 LYS 97 22.437 10.555 31.003 760 HG2 LYS 97 HG2 LYS 97 23.532 13.250 30.111 761 HG3 LYS 97 HG3 LYS 97 24.452 11.971 30.890 762 HD2 LYS 97 HD2 LYS 97 24.086 10.434 29.055 763 HD3 LYS 97 HD3 LYS 97 23.025 11.565 28.214 764 HE2 LYS 97 HE2 LYS 97 25.947 12.110 28.860 765 HE3 LYS 97 HE3 LYS 97 25.369 11.451 27.335 766 HZ1 LYS 97 HZ1 LYS 97 24.016 13.473 27.061 767 HZ2 LYS 97 HZ2 LYS 97 24.638 14.109 28.425 768 HZ3 LYS 97 HZ3 LYS 97 25.608 13.827 27.142 769 HA PRO 98 HA PRO 98 17.679 9.446 30.690 770 HB2 PRO 98 HB2 PRO 98 19.392 6.971 30.796 771 HB3 PRO 98 HB3 PRO 98 17.793 7.206 30.026 772 HG2 PRO 98 HG2 PRO 98 20.035 7.172 28.513 773 HG3 PRO 98 HG3 PRO 98 18.774 8.413 28.206 774 HD2 PRO 98 HD2 PRO 98 21.337 8.701 29.802 775 HD3 PRO 98 HD3 PRO 98 20.673 9.765 28.524 776 H LYS 99 H LYS 99 16.706 8.497 32.513 777 HA LYS 99 HA LYS 99 18.166 8.678 35.079 778 HB2 LYS 99 HB2 LYS 99 15.206 8.305 34.497 779 HB3 LYS 99 HB3 LYS 99 15.927 8.493 36.098 780 HG2 LYS 99 HG2 LYS 99 16.817 10.721 35.439 781 HG3 LYS 99 HG3 LYS 99 15.993 10.574 33.877 782 HD2 LYS 99 HD2 LYS 99 13.809 10.426 35.025 783 HD3 LYS 99 HD3 LYS 99 14.623 10.535 36.601 784 HE2 LYS 99 HE2 LYS 99 15.548 12.750 35.948 785 HE3 LYS 99 HE3 LYS 99 14.708 12.647 34.406 786 HZ1 LYS 99 HZ1 LYS 99 13.384 12.713 37.062 787 HZ2 LYS 99 HZ2 LYS 99 13.454 13.956 36.012 788 HZ3 LYS 99 HZ3 LYS 99 12.600 12.621 35.629 789 H VAL 100 H VAL 100 18.687 6.495 33.184 790 HA VAL 100 HA VAL 100 18.598 4.206 35.007 791 HB VAL 100 HB VAL 100 16.459 4.031 33.817 792 HG11 VAL 100 HG11 VAL 100 18.055 3.806 31.232 793 HG12 VAL 100 HG12 VAL 100 16.309 3.568 31.429 794 HG13 VAL 100 HG13 VAL 100 17.008 5.168 31.693 795 HG21 VAL 100 HG21 VAL 100 16.609 1.751 33.084 796 HG22 VAL 100 HG22 VAL 100 18.358 1.866 32.846 797 HG23 VAL 100 HG23 VAL 100 17.665 1.970 34.485 798 H LEU 101 H LEU 101 20.160 2.602 34.457 799 HA LEU 101 HA LEU 101 22.051 3.245 32.255 800 HB2 LEU 101 HB2 LEU 101 22.737 2.599 35.146 801 HB3 LEU 101 HB3 LEU 101 23.912 2.554 33.841 802 HG LEU 101 HG LEU 101 22.378 5.056 34.682 803 HD11 LEU 101 HD11 LEU 101 24.513 5.770 35.664 804 HD12 LEU 101 HD12 LEU 101 23.938 4.279 36.423 805 HD13 LEU 101 HD13 LEU 101 25.254 4.213 35.230 806 HD21 LEU 101 HD21 LEU 101 24.117 6.227 33.324 807 HD22 LEU 101 HD22 LEU 101 24.732 4.654 32.775 808 HD23 LEU 101 HD23 LEU 101 23.094 5.188 32.327 809 HA PRO 102 HA PRO 102 21.482 -1.028 31.345 810 HB2 PRO 102 HB2 PRO 102 23.540 -1.543 29.638 811 HB3 PRO 102 HB3 PRO 102 22.231 -0.391 29.245 812 HG2 PRO 102 HG2 PRO 102 24.972 0.243 30.394 813 HG3 PRO 102 HG3 PRO 102 24.178 0.983 28.967 814 HD2 PRO 102 HD2 PRO 102 24.068 2.143 31.425 815 HD3 PRO 102 HD3 PRO 102 22.670 2.191 30.312 816 H PHE 103 H PHE 103 24.254 -0.073 33.158 817 HA PHE 103 HA PHE 103 25.705 -2.507 33.270 818 HB2 PHE 103 HB2 PHE 103 26.442 -0.122 33.738 819 HB3 PHE 103 HB3 PHE 103 25.667 -0.251 35.305 820 HD1 PHE 103 HD1 PHE 103 28.281 -1.783 33.103 821 HD2 PHE 103 HD2 PHE 103 26.904 -1.190 37.143 822 HE1 PHE 103 HE1 PHE 103 30.402 -2.739 33.968 823 HE2 PHE 103 HE2 PHE 103 29.028 -2.143 38.002 824 HZ PHE 103 HZ PHE 103 30.776 -2.919 36.417 825 H HIS 104 H HIS 104 22.736 -1.830 34.803 826 HA HIS 104 HA HIS 104 23.227 -3.338 37.236 827 HB2 HIS 104 HB2 HIS 104 21.865 -1.201 36.930 828 HB3 HIS 104 HB3 HIS 104 20.607 -2.204 36.227 829 HD1 HIS 104 HD1 HIS 104 19.170 -1.188 38.362 830 HD2 HIS 104 HD2 HIS 104 22.339 -3.792 39.265 831 HE1 HIS 104 HE1 HIS 104 18.849 -1.893 40.778 832 H THR 105 H THR 105 22.809 -4.591 34.261 833 HA THR 105 HA THR 105 21.012 -6.840 35.104 834 HB THR 105 HB THR 105 21.815 -6.011 32.297 835 HG1 THR 105 HG1 THR 105 20.291 -4.665 33.185 836 HG21 THR 105 HG21 THR 105 19.980 -7.532 31.600 837 HG22 THR 105 HG22 THR 105 21.318 -8.430 32.329 838 HG23 THR 105 HG23 THR 105 19.830 -8.109 33.270 839 H ILE 106 H ILE 106 21.671 -8.909 35.062 840 HA ILE 106 HA ILE 106 24.487 -9.551 34.307 841 HB ILE 106 HB ILE 106 24.485 -11.320 35.966 842 HG12 ILE 106 HG12 ILE 106 21.853 -10.195 37.018 843 HG13 ILE 106 HG13 ILE 106 22.006 -11.692 36.096 844 HG21 ILE 106 HG21 ILE 106 23.848 -8.634 37.250 845 HG22 ILE 106 HG22 ILE 106 24.896 -9.917 37.892 846 HG23 ILE 106 HG23 ILE 106 25.378 -9.032 36.444 847 HD11 ILE 106 HD11 ILE 106 23.512 -12.610 37.866 848 HD12 ILE 106 HD12 ILE 106 23.196 -11.154 38.842 849 HD13 ILE 106 HD13 ILE 106 21.870 -12.252 38.428 850 H TYR 107 H TYR 107 24.867 -11.744 33.580 851 HA TYR 107 HA TYR 107 22.598 -12.904 32.020 852 HB2 TYR 107 HB2 TYR 107 25.342 -12.172 30.950 853 HB3 TYR 107 HB3 TYR 107 24.071 -12.984 30.053 854 HD1 TYR 107 HD2 TYR 107 21.966 -11.758 29.443 855 HD2 TYR 107 HD1 TYR 107 25.318 -9.778 31.296 856 HE1 TYR 107 HE2 TYR 107 21.036 -9.551 28.768 857 HE2 TYR 107 HE1 TYR 107 24.378 -7.569 30.631 858 HH TYR 107 HH TYR 107 21.381 -7.238 28.832 859 H CYS 108 H CYS 108 23.018 -15.011 31.141 860 HA CYS 108 HA CYS 108 24.503 -16.728 32.986 861 HB2 CYS 108 HB2 CYS 108 22.140 -17.181 32.118 862 HB3 CYS 108 HB3 CYS 108 22.889 -17.585 30.561 863 HG CYS 108 HG CYS 108 23.354 -18.867 33.570 864 H TYR 109 H TYR 109 26.260 -17.984 32.512 865 HA TYR 109 HA TYR 109 27.524 -17.832 29.820 866 HB2 TYR 109 HB2 TYR 109 28.374 -16.040 31.363 867 HB3 TYR 109 HB3 TYR 109 28.943 -17.292 32.450 868 HD1 TYR 109 HD1 TYR 109 29.197 -16.297 28.814 869 HD2 TYR 109 HD2 TYR 109 31.200 -17.877 32.289 870 HE1 TYR 109 HE1 TYR 109 31.345 -16.338 27.556 871 HE2 TYR 109 HE2 TYR 109 33.351 -17.905 31.032 872 HH TYR 109 HH TYR 109 33.625 -16.857 27.696 873 H ASN 110 H ASN 110 26.133 -19.924 31.677 874 HA ASN 110 HA ASN 110 27.974 -22.172 31.181 875 HB2 ASN 110 HB2 ASN 110 26.826 -21.459 33.924 876 HB3 ASN 110 HB3 ASN 110 27.580 -23.001 33.534 877 HD21 ASN 110 HD22 ASN 110 29.914 -23.018 33.010 878 HD22 ASN 110 HD21 ASN 110 30.915 -21.689 33.589 879 H CYS 111 H CYS 111 26.860 -24.209 31.247 880 HA CYS 111 HA CYS 111 25.304 -25.651 30.628 881 HB2 CYS 111 HB2 CYS 111 23.663 -26.100 32.241 882 HB3 CYS 111 HB3 CYS 111 25.037 -25.382 33.079 883 HG CYS 111 HG CYS 111 22.900 -24.512 34.246 884 H GLY 112 H GLY 112 24.402 -22.581 29.624 885 HA2 GLY 112 HA2 GLY 112 22.790 -23.536 27.448 886 HA3 GLY 112 HA3 GLY 112 21.771 -22.903 28.744 887 H GLY 113 H GLY 113 21.153 -21.462 26.926 888 HA2 GLY 113 HA2 GLY 113 22.890 -19.422 25.886 889 HA3 GLY 113 HA3 GLY 113 21.131 -19.430 25.819 890 H LYS 114 H LYS 114 22.551 -17.093 26.153 891 HA LYS 114 HA LYS 114 23.347 -16.412 28.766 892 HB2 LYS 114 HB2 LYS 114 22.510 -14.530 26.533 893 HB3 LYS 114 HB3 LYS 114 23.500 -14.117 27.933 894 HG2 LYS 114 HG2 LYS 114 25.227 -15.764 27.173 895 HG3 LYS 114 HG3 LYS 114 24.258 -16.067 25.719 896 HD2 LYS 114 HD2 LYS 114 24.380 -13.593 25.211 897 HD3 LYS 114 HD3 LYS 114 25.542 -13.424 26.527 898 HE2 LYS 114 HE2 LYS 114 25.851 -15.221 24.080 899 HE3 LYS 114 HE3 LYS 114 26.567 -13.629 24.253 900 HZ1 LYS 114 HZ1 LYS 114 27.199 -15.970 25.962 901 HZ2 LYS 114 HZ2 LYS 114 28.160 -15.335 24.811 902 HZ3 LYS 114 HZ3 LYS 114 27.840 -14.472 26.153 903 H GLY 115 H GLY 115 20.095 -16.414 27.595 904 HA2 GLY 115 HA2 GLY 115 19.112 -14.252 29.258 905 HA3 GLY 115 HA3 GLY 115 18.160 -15.366 28.290 906 H HIS 116 H HIS 116 19.038 -17.846 29.687 907 HA HIS 116 HA HIS 116 16.862 -17.545 31.571 908 HB2 HIS 116 HB2 HIS 116 16.517 -19.774 31.534 909 HB3 HIS 116 HB3 HIS 116 17.071 -19.431 29.906 910 HD1 HIS 116 HD1 HIS 116 17.309 -22.160 32.007 911 HD2 HIS 116 HD2 HIS 116 20.265 -19.666 30.373 912 HE1 HIS 116 HE1 HIS 116 19.469 -23.501 32.024 913 H PHE 117 H PHE 117 16.649 -17.921 33.601 914 HA PHE 117 HA PHE 117 17.153 -17.737 35.836 915 HB2 PHE 117 HB2 PHE 117 18.142 -20.474 35.044 916 HB3 PHE 117 HB3 PHE 117 17.449 -20.023 36.605 917 HD1 PHE 117 HD1 PHE 117 15.021 -18.448 35.782 918 HD2 PHE 117 HD2 PHE 117 16.695 -22.111 34.239 919 HE1 PHE 117 HE1 PHE 117 12.799 -19.105 34.919 920 HE2 PHE 117 HE2 PHE 117 14.459 -22.761 33.382 921 HZ PHE 117 HZ PHE 117 12.514 -21.254 33.710 922 H GLY 118 H GLY 118 19.388 -16.470 34.617 923 HA2 GLY 118 HA2 GLY 118 21.881 -17.467 35.182 924 HA3 GLY 118 HA3 GLY 118 21.518 -15.752 34.976 925 H ASP 119 H ASP 119 19.783 -16.234 37.568 926 HA ASP 119 HA ASP 119 21.658 -15.270 39.541 927 HB2 ASP 119 HB2 ASP 119 19.190 -14.770 39.387 928 HB3 ASP 119 HB3 ASP 119 18.865 -16.443 39.812 929 H ASP 120 H ASP 120 20.352 -18.477 38.759 930 HA ASP 120 HA ASP 120 21.679 -19.705 41.151 931 HB2 ASP 120 HB2 ASP 120 19.363 -18.932 41.631 932 HB3 ASP 120 HB3 ASP 120 18.768 -19.940 40.324 933 H CYS 121 H CYS 121 20.431 -20.299 37.847 934 HA CYS 121 HA CYS 121 20.558 -23.146 38.034 935 HB2 CYS 121 HB2 CYS 121 20.137 -23.162 35.683 936 HB3 CYS 121 HB3 CYS 121 19.179 -21.867 36.407 937 HG CYS 121 HG CYS 121 20.776 -19.929 35.760 938 H LYS 122 H LYS 122 23.132 -20.987 37.863 939 HA LYS 122 HA LYS 122 24.985 -22.579 36.272 940 HB2 LYS 122 HB2 LYS 122 25.494 -20.125 37.982 941 HB3 LYS 122 HB3 LYS 122 26.596 -20.822 36.788 942 HG2 LYS 122 HG2 LYS 122 24.866 -20.397 35.006 943 HG3 LYS 122 HG3 LYS 122 23.889 -19.548 36.207 944 HD2 LYS 122 HD2 LYS 122 26.677 -18.759 35.271 945 HD3 LYS 122 HD3 LYS 122 25.147 -17.968 34.856 946 HE2 LYS 122 HE2 LYS 122 24.823 -17.564 37.361 947 HE3 LYS 122 HE3 LYS 122 26.481 -18.100 37.586 948 HZ1 LYS 122 HZ1 LYS 122 25.634 -15.780 35.944 949 HZ2 LYS 122 HZ2 LYS 122 26.367 -15.704 37.391 950 HZ3 LYS 122 HZ3 LYS 122 27.187 -16.282 36.108 951 H GLU 123 H GLU 123 24.182 -24.336 38.004 952 HA GLU 123 HA GLU 123 25.731 -24.489 40.452 953 HB2 GLU 123 HB2 GLU 123 24.687 -26.652 40.751 954 HB3 GLU 123 HB3 GLU 123 23.497 -25.431 40.340 955 HG2 GLU 123 HG2 GLU 123 23.001 -26.368 38.290 956 HG3 GLU 123 HG3 GLU 123 24.608 -27.016 38.041 957 H LYS 124 H LYS 124 26.699 -25.108 37.309 958 HA LYS 124 HA LYS 124 29.100 -26.618 38.168 959 HB2 LYS 124 HB2 LYS 124 27.316 -27.360 35.801 960 HB3 LYS 124 HB3 LYS 124 28.923 -28.013 36.076 961 HG2 LYS 124 HG2 LYS 124 26.548 -28.389 37.950 962 HG3 LYS 124 HG3 LYS 124 27.097 -29.553 36.750 963 HD2 LYS 124 HD2 LYS 124 29.215 -29.871 37.848 964 HD3 LYS 124 HD3 LYS 124 28.913 -28.578 39.007 965 HE2 LYS 124 HE2 LYS 124 27.303 -31.152 38.806 966 HE3 LYS 124 HE3 LYS 124 28.612 -30.846 39.946 967 HZ1 LYS 124 HZ1 LYS 124 25.996 -29.499 39.856 968 HZ2 LYS 124 HZ2 LYS 124 26.605 -30.358 41.080 969 HZ3 LYS 124 HZ3 LYS 124 27.233 -28.879 40.706 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -27.224 13.486 1.061 2 H2 LYS 1 H2 LYS 1 -25.879 14.407 1.125 3 H3 LYS 1 H3 LYS 1 -27.339 15.092 1.407 4 HA LYS 1 HA LYS 1 -26.158 14.805 3.478 5 HB2 LYS 1 HB2 LYS 1 -28.485 12.871 3.130 6 HB3 LYS 1 HB3 LYS 1 -27.790 13.292 4.685 7 HG2 LYS 1 HG2 LYS 1 -29.091 15.264 2.749 8 HG3 LYS 1 HG3 LYS 1 -29.878 14.544 4.137 9 HD2 LYS 1 HD2 LYS 1 -27.455 16.399 4.244 10 HD3 LYS 1 HD3 LYS 1 -29.112 16.868 4.556 11 HE2 LYS 1 HE2 LYS 1 -27.564 14.820 6.202 12 HE3 LYS 1 HE3 LYS 1 -27.731 16.516 6.607 13 HZ1 LYS 1 HZ1 LYS 1 -30.141 16.199 6.733 14 HZ2 LYS 1 HZ2 LYS 1 -29.992 14.604 6.403 15 HZ3 LYS 1 HZ3 LYS 1 -29.375 15.219 7.778 16 H GLU 2 H GLU 2 -24.311 13.951 4.113 17 HA GLU 2 HA GLU 2 -23.678 11.098 3.941 18 HB2 GLU 2 HB2 GLU 2 -21.818 11.365 2.415 19 HB3 GLU 2 HB3 GLU 2 -23.311 11.788 1.622 20 HG2 GLU 2 HG2 GLU 2 -21.262 13.766 2.706 21 HG3 GLU 2 HG3 GLU 2 -21.392 13.252 1.039 22 H ALA 3 H ALA 3 -21.252 10.796 4.483 23 HA ALA 3 HA ALA 3 -19.713 10.782 6.107 24 HB1 ALA 3 HB1 ALA 3 -18.362 12.789 6.278 25 HB2 ALA 3 HB2 ALA 3 -18.868 12.508 4.606 26 HB3 ALA 3 HB3 ALA 3 -19.668 13.765 5.578 27 H ALA 4 H ALA 4 -21.836 10.257 7.415 28 HA ALA 4 HA ALA 4 -22.731 11.718 9.582 29 HB1 ALA 4 HB1 ALA 4 -22.064 8.742 9.451 30 HB2 ALA 4 HB2 ALA 4 -23.096 9.521 10.661 31 HB3 ALA 4 HB3 ALA 4 -23.579 9.515 8.956 32 HA PRO 5 HA PRO 5 -19.075 10.636 12.425 33 HB2 PRO 5 HB2 PRO 5 -16.714 9.613 11.528 34 HB3 PRO 5 HB3 PRO 5 -18.142 8.595 11.855 35 HG2 PRO 5 HG2 PRO 5 -17.277 9.732 9.165 36 HG3 PRO 5 HG3 PRO 5 -17.657 8.027 9.573 37 HD2 PRO 5 HD2 PRO 5 -19.484 9.645 8.461 38 HD3 PRO 5 HD3 PRO 5 -19.947 8.500 9.758 39 H LYS 6 H LYS 6 -18.018 11.848 9.262 40 HA LYS 6 HA LYS 6 -16.085 12.786 8.574 41 HB2 LYS 6 HB2 LYS 6 -17.497 14.795 9.507 42 HB3 LYS 6 HB3 LYS 6 -16.254 14.858 10.753 43 HG2 LYS 6 HG2 LYS 6 -14.669 14.726 8.505 44 HG3 LYS 6 HG3 LYS 6 -16.104 15.421 7.784 45 HD2 LYS 6 HD2 LYS 6 -14.685 16.533 10.243 46 HD3 LYS 6 HD3 LYS 6 -14.342 17.072 8.604 47 HE2 LYS 6 HE2 LYS 6 -17.091 17.247 9.904 48 HE3 LYS 6 HE3 LYS 6 -15.894 18.530 9.976 49 HZ1 LYS 6 HZ1 LYS 6 -15.928 18.640 7.550 50 HZ2 LYS 6 HZ2 LYS 6 -17.074 17.475 7.468 51 HZ3 LYS 6 HZ3 LYS 6 -17.412 18.912 8.156 52 H CYS 7 H CYS 7 -13.971 14.141 10.131 53 HA CYS 7 HA CYS 7 -12.322 11.882 10.742 54 HB2 CYS 7 HB2 CYS 7 -11.639 14.210 10.024 55 HB3 CYS 7 HB3 CYS 7 -12.023 14.745 11.680 56 HG CYS 7 HG CYS 7 -9.957 12.352 10.729 57 H ASN 8 H ASN 8 -11.354 11.246 12.829 58 HA ASN 8 HA ASN 8 -13.171 11.230 15.090 59 HB2 ASN 8 HB2 ASN 8 -11.375 9.452 14.754 60 HB3 ASN 8 HB3 ASN 8 -10.165 10.678 15.093 61 HD21 ASN 8 HD22 ASN 8 -9.414 9.779 17.114 62 HD22 ASN 8 HD21 ASN 8 -10.469 9.744 18.521 63 H ASN 9 H ASN 9 -10.497 13.336 14.104 64 HA ASN 9 HA ASN 9 -11.037 15.211 16.334 65 HB2 ASN 9 HB2 ASN 9 -8.624 15.121 16.966 66 HB3 ASN 9 HB3 ASN 9 -9.513 13.642 17.293 67 HD21 ASN 9 HD21 ASN 9 -6.898 13.284 17.392 68 HD22 ASN 9 HD22 ASN 9 -6.325 12.509 15.907 69 H CYS 10 H CYS 10 -8.897 14.770 13.440 70 HA CYS 10 HA CYS 10 -7.994 17.439 13.416 71 HB2 CYS 10 HB2 CYS 10 -8.171 15.526 11.043 72 HB3 CYS 10 HB3 CYS 10 -7.083 16.901 11.221 73 HG CYS 10 HG CYS 10 -5.849 15.951 13.371 74 H SER 11 H SER 11 -10.702 15.996 11.720 75 HA SER 11 HA SER 11 -12.335 16.719 10.343 76 HB2 SER 11 HB2 SER 11 -12.178 19.016 12.289 77 HB3 SER 11 HB3 SER 11 -13.566 18.680 11.226 78 HG SER 11 HG SER 11 -13.699 17.581 13.243 79 H GLN 12 H GLN 12 -9.635 17.596 9.395 80 HA GLN 12 HA GLN 12 -10.681 19.342 7.202 81 HB2 GLN 12 HB2 GLN 12 -7.931 19.445 8.497 82 HB3 GLN 12 HB3 GLN 12 -8.432 20.371 7.081 83 HG2 GLN 12 HG2 GLN 12 -10.201 21.482 8.458 84 HG3 GLN 12 HG3 GLN 12 -9.589 20.649 9.888 85 HE21 GLN 12 HE22 GLN 12 -9.006 23.303 7.635 86 HE22 GLN 12 HE21 GLN 12 -7.586 23.913 8.474 87 H ARG 13 H ARG 13 -10.014 16.269 7.700 88 HA ARG 13 HA ARG 13 -8.720 15.763 5.087 89 HB2 ARG 13 HB2 ARG 13 -6.962 15.983 6.841 90 HB3 ARG 13 HB3 ARG 13 -7.678 14.638 7.723 91 HG2 ARG 13 HG2 ARG 13 -7.143 13.095 5.915 92 HG3 ARG 13 HG3 ARG 13 -6.648 14.423 4.855 93 HD2 ARG 13 HD2 ARG 13 -5.288 13.682 7.478 94 HD3 ARG 13 HD3 ARG 13 -4.752 13.151 5.887 95 HE ARG 13 HE ARG 13 -4.409 15.549 5.278 96 HH11 ARG 13 HH11 ARG 13 -4.304 14.743 8.697 97 HH12 ARG 13 HH12 ARG 13 -3.282 16.117 9.075 98 HH21 ARG 13 HH21 ARG 13 -3.155 17.281 5.833 99 HH22 ARG 13 HH22 ARG 13 -2.664 17.522 7.489 100 H GLY 14 H GLY 14 -9.056 13.709 4.234 101 HA2 GLY 14 HA2 GLY 14 -11.719 12.831 4.535 102 HA3 GLY 14 HA3 GLY 14 -10.484 12.073 3.531 103 H HIS 15 H HIS 15 -9.024 11.676 6.397 104 HA HIS 15 HA HIS 15 -10.120 9.019 6.773 105 HB2 HIS 15 HB2 HIS 15 -8.439 8.734 8.509 106 HB3 HIS 15 HB3 HIS 15 -7.822 9.170 6.931 107 HD1 HIS 15 HD1 HIS 15 -5.619 9.648 8.497 108 HD2 HIS 15 HD2 HIS 15 -8.831 12.339 8.757 109 HE1 HIS 15 HE1 HIS 15 -4.717 11.735 9.633 110 H LEU 16 H LEU 16 -12.202 9.173 7.326 111 HA LEU 16 HA LEU 16 -13.313 10.578 9.485 112 HB2 LEU 16 HB2 LEU 16 -15.196 8.996 9.305 113 HB3 LEU 16 HB3 LEU 16 -14.689 9.695 7.783 114 HG LEU 16 HG LEU 16 -13.435 7.479 7.333 115 HD11 LEU 16 HD11 LEU 16 -13.453 6.468 9.588 116 HD12 LEU 16 HD12 LEU 16 -15.236 6.568 9.628 117 HD13 LEU 16 HD13 LEU 16 -14.418 5.493 8.483 118 HD21 LEU 16 HD21 LEU 16 -15.476 6.397 6.536 119 HD22 LEU 16 HD22 LEU 16 -16.473 7.426 7.588 120 HD23 LEU 16 HD23 LEU 16 -15.551 8.136 6.246 121 H LYS 17 H LYS 17 -14.458 9.307 11.374 122 HA LYS 17 HA LYS 17 -12.920 9.043 13.446 123 HB2 LYS 17 HB2 LYS 17 -15.523 8.551 13.124 124 HB3 LYS 17 HB3 LYS 17 -15.046 6.895 13.415 125 HG2 LYS 17 HG2 LYS 17 -14.509 9.303 15.200 126 HG3 LYS 17 HG3 LYS 17 -15.767 8.111 15.452 127 HD2 LYS 17 HD2 LYS 17 -12.764 7.547 15.602 128 HD3 LYS 17 HD3 LYS 17 -13.808 7.856 16.969 129 HE2 LYS 17 HE2 LYS 17 -14.154 5.489 15.084 130 HE3 LYS 17 HE3 LYS 17 -13.295 5.460 16.615 131 HZ1 LYS 17 HZ1 LYS 17 -16.190 5.981 16.275 132 HZ2 LYS 17 HZ2 LYS 17 -15.490 4.730 17.051 133 HZ3 LYS 17 HZ3 LYS 17 -15.395 6.203 17.691 134 H LYS 18 H LYS 18 -13.789 5.855 12.057 135 HA LYS 18 HA LYS 18 -11.535 4.539 13.359 136 HB2 LYS 18 HB2 LYS 18 -12.467 2.495 12.465 137 HB3 LYS 18 HB3 LYS 18 -13.720 3.479 13.214 138 HG2 LYS 18 HG2 LYS 18 -14.395 4.303 10.930 139 HG3 LYS 18 HG3 LYS 18 -13.207 3.208 10.215 140 HD2 LYS 18 HD2 LYS 18 -15.597 2.389 11.924 141 HD3 LYS 18 HD3 LYS 18 -15.520 2.331 10.159 142 HE2 LYS 18 HE2 LYS 18 -13.596 0.736 10.327 143 HE3 LYS 18 HE3 LYS 18 -13.773 0.735 12.079 144 HZ1 LYS 18 HZ1 LYS 18 -14.933 -1.138 11.076 145 HZ2 LYS 18 HZ2 LYS 18 -16.022 -0.156 11.785 146 HZ3 LYS 18 HZ3 LYS 18 -15.853 -0.156 10.160 147 H ASP 19 H ASP 19 -11.599 6.247 10.503 148 HA ASP 19 HA ASP 19 -9.491 4.685 9.137 149 HB2 ASP 19 HB2 ASP 19 -11.498 6.146 8.112 150 HB3 ASP 19 HB3 ASP 19 -10.346 7.446 8.334 151 H CYS 20 H CYS 20 -9.892 7.457 11.276 152 HA CYS 20 HA CYS 20 -7.481 8.803 10.886 153 HB2 CYS 20 HB2 CYS 20 -9.410 9.706 12.106 154 HB3 CYS 20 HB3 CYS 20 -9.147 8.542 13.421 155 HG CYS 20 HG CYS 20 -8.302 11.101 13.986 156 HA PRO 21 HA PRO 21 -4.468 6.030 12.729 157 HB2 PRO 21 HB2 PRO 21 -2.380 7.781 13.160 158 HB3 PRO 21 HB3 PRO 21 -2.863 7.171 11.551 159 HG2 PRO 21 HG2 PRO 21 -3.697 9.782 12.866 160 HG3 PRO 21 HG3 PRO 21 -3.003 9.545 11.226 161 HD2 PRO 21 HD2 PRO 21 -5.645 9.753 11.537 162 HD3 PRO 21 HD3 PRO 21 -4.995 8.494 10.452 163 H HIS 22 H HIS 22 -5.728 8.771 14.529 164 HA HIS 22 HA HIS 22 -4.738 7.567 17.084 165 HB2 HIS 22 HB2 HIS 22 -3.720 9.739 16.612 166 HB3 HIS 22 HB3 HIS 22 -5.314 10.470 16.458 167 HD1 HIS 22 HD1 HIS 22 -4.463 12.100 18.506 168 HD2 HIS 22 HD2 HIS 22 -4.952 8.028 19.416 169 HE1 HIS 22 HE1 HIS 22 -4.535 11.934 21.035 170 H ILE 23 H ILE 23 -6.297 6.397 17.898 171 HA ILE 23 HA ILE 23 -8.988 7.530 18.352 172 HB ILE 23 HB ILE 23 -10.079 5.459 17.679 173 HG12 ILE 23 HG12 ILE 23 -7.560 4.546 16.241 174 HG13 ILE 23 HG13 ILE 23 -7.929 3.990 17.866 175 HG21 ILE 23 HG21 ILE 23 -10.060 5.816 15.281 176 HG22 ILE 23 HG22 ILE 23 -9.922 7.375 16.106 177 HG23 ILE 23 HG23 ILE 23 -8.493 6.628 15.367 178 HD11 ILE 23 HD11 ILE 23 -9.637 3.559 15.379 179 HD12 ILE 23 HD12 ILE 23 -8.790 2.340 16.351 180 HD13 ILE 23 HD13 ILE 23 -10.187 3.194 17.027 181 H ILE 24 H ILE 24 -10.270 6.207 19.866 182 HA ILE 24 HA ILE 24 -10.617 5.494 21.955 183 HB ILE 24 HB ILE 24 -8.590 3.302 21.589 184 HG12 ILE 24 HG12 ILE 24 -11.206 3.516 20.033 185 HG13 ILE 24 HG13 ILE 24 -9.578 3.538 19.346 186 HG21 ILE 24 HG21 ILE 24 -10.361 1.956 22.658 187 HG22 ILE 24 HG22 ILE 24 -10.086 3.383 23.631 188 HG23 ILE 24 HG23 ILE 24 -11.489 3.330 22.544 189 HD11 ILE 24 HD11 ILE 24 -9.209 1.215 20.198 190 HD12 ILE 24 HD12 ILE 24 -10.938 1.158 20.630 191 HD13 ILE 24 HD13 ILE 24 -10.453 1.385 18.947 192 H CYS 25 H CYS 25 -8.536 7.525 21.779 193 HA CYS 25 HA CYS 25 -6.805 8.521 22.872 194 HB2 CYS 25 HB2 CYS 25 -8.261 7.377 25.264 195 HB3 CYS 25 HB3 CYS 25 -7.201 8.794 25.278 196 HG CYS 25 HG CYS 25 -8.611 10.289 23.717 197 H SER 26 H SER 26 -6.098 5.836 22.038 198 HA SER 26 HA SER 26 -5.008 3.934 22.460 199 HB2 SER 26 HB2 SER 26 -2.634 4.169 23.284 200 HB3 SER 26 HB3 SER 26 -3.128 4.968 21.791 201 HG SER 26 HG SER 26 -2.940 6.270 24.243 202 H TYR 27 H TYR 27 -6.602 3.113 23.722 203 HA TYR 27 HA TYR 27 -7.454 1.850 25.309 204 HB2 TYR 27 HB2 TYR 27 -4.850 1.894 26.817 205 HB3 TYR 27 HB3 TYR 27 -6.146 0.726 26.960 206 HD1 TYR 27 HD2 TYR 27 -6.697 -0.792 24.970 207 HD2 TYR 27 HD1 TYR 27 -3.135 1.625 25.207 208 HE1 TYR 27 HE2 TYR 27 -5.607 -2.235 23.261 209 HE2 TYR 27 HE1 TYR 27 -2.046 0.184 23.491 210 HH TYR 27 HH TYR 27 -3.639 -2.582 22.035 211 H CYS 28 H CYS 28 -7.433 4.853 25.686 212 HA CYS 28 HA CYS 28 -8.825 4.737 28.327 213 HB2 CYS 28 HB2 CYS 28 -7.042 6.243 28.620 214 HB3 CYS 28 HB3 CYS 28 -7.304 7.045 27.079 215 HG CYS 28 HG CYS 28 -9.439 6.951 29.635 216 H GLY 29 H GLY 29 -10.237 3.486 26.759 217 HA2 GLY 29 HA2 GLY 29 -12.651 4.769 26.584 218 HA3 GLY 29 HA3 GLY 29 -11.936 5.075 25.001 219 H ALA 30 H ALA 30 -13.815 3.973 24.281 220 HA ALA 30 HA ALA 30 -13.040 1.255 23.549 221 HB1 ALA 30 HB1 ALA 30 -14.765 0.854 25.257 222 HB2 ALA 30 HB2 ALA 30 -15.877 1.960 24.426 223 HB3 ALA 30 HB3 ALA 30 -15.383 0.439 23.649 224 H THR 31 H THR 31 -13.901 0.718 21.401 225 HA THR 31 HA THR 31 -13.640 2.982 19.671 226 HB THR 31 HB THR 31 -12.795 0.884 18.995 227 HG1 THR 31 HG1 THR 31 -13.724 0.880 16.960 228 HG21 THR 31 HG21 THR 31 -15.648 -0.197 18.948 229 HG22 THR 31 HG22 THR 31 -14.208 -1.007 18.287 230 HG23 THR 31 HG23 THR 31 -14.329 -0.727 20.018 231 H ASP 32 H ASP 32 -16.517 1.511 20.992 232 HA ASP 32 HA ASP 32 -18.218 3.299 19.279 233 HB2 ASP 32 HB2 ASP 32 -18.454 0.882 18.851 234 HB3 ASP 32 HB3 ASP 32 -18.912 0.630 20.529 235 H ASP 33 H ASP 33 -17.823 2.080 22.639 236 HA ASP 33 HA ASP 33 -19.991 3.922 23.513 237 HB2 ASP 33 HB2 ASP 33 -20.305 1.512 23.864 238 HB3 ASP 33 HB3 ASP 33 -18.868 1.473 24.881 239 H HIS 34 H HIS 34 -18.178 5.562 23.160 240 HA HIS 34 HA HIS 34 -17.097 6.367 25.780 241 HB2 HIS 34 HB2 HIS 34 -15.337 4.960 24.982 242 HB3 HIS 34 HB3 HIS 34 -15.438 5.645 23.351 243 HD1 HIS 34 HD1 HIS 34 -13.975 7.737 22.859 244 HD2 HIS 34 HD2 HIS 34 -14.169 6.606 26.903 245 HE1 HIS 34 HE1 HIS 34 -12.194 9.093 24.075 246 H TYR 35 H TYR 35 -17.042 8.567 26.003 247 HA TYR 35 HA TYR 35 -17.267 10.384 23.716 248 HB2 TYR 35 HB2 TYR 35 -19.581 9.324 24.165 249 HB3 TYR 35 HB3 TYR 35 -19.572 10.172 25.702 250 HD1 TYR 35 HD2 TYR 35 -18.820 10.863 22.077 251 HD2 TYR 35 HD1 TYR 35 -20.831 12.204 25.652 252 HE1 TYR 35 HE2 TYR 35 -19.672 12.851 20.853 253 HE2 TYR 35 HE1 TYR 35 -21.679 14.192 24.423 254 HH TYR 35 HH TYR 35 -21.712 15.284 22.346 255 H SER 36 H SER 36 -17.639 12.710 24.511 256 HA SER 36 HA SER 36 -15.671 13.609 26.237 257 HB2 SER 36 HB2 SER 36 -18.333 15.042 25.843 258 HB3 SER 36 HB3 SER 36 -16.717 15.750 26.042 259 HG SER 36 HG SER 36 -16.232 14.998 24.015 260 H ARG 37 H ARG 37 -18.966 12.732 27.067 261 HA ARG 37 HA ARG 37 -18.818 13.673 29.861 262 HB2 ARG 37 HB2 ARG 37 -20.935 12.134 28.297 263 HB3 ARG 37 HB3 ARG 37 -21.141 12.682 29.950 264 HG2 ARG 37 HG2 ARG 37 -20.637 14.562 27.602 265 HG3 ARG 37 HG3 ARG 37 -22.231 14.125 28.188 266 HD2 ARG 37 HD2 ARG 37 -20.111 15.467 29.910 267 HD3 ARG 37 HD3 ARG 37 -21.367 16.327 29.018 268 HE ARG 37 HE ARG 37 -22.826 14.518 30.484 269 HH11 ARG 37 HH21 ARG 37 -20.510 16.990 31.424 270 HH12 ARG 37 HH22 ARG 37 -21.292 17.254 32.969 271 HH21 ARG 37 HH11 ARG 37 -23.777 14.921 32.445 272 HH22 ARG 37 HH12 ARG 37 -23.104 16.119 33.520 273 H HIS 38 H HIS 38 -17.701 10.912 28.310 274 HA HIS 38 HA HIS 38 -17.886 9.218 30.769 275 HB2 HIS 38 HB2 HIS 38 -18.345 8.411 27.871 276 HB3 HIS 38 HB3 HIS 38 -18.234 7.287 29.219 277 HD1 HIS 38 HD1 HIS 38 -20.245 9.693 30.846 278 HD2 HIS 38 HD2 HIS 38 -20.819 7.104 27.599 279 HE1 HIS 38 HE1 HIS 38 -22.745 9.321 30.676 280 H CYS 39 H CYS 39 -15.700 10.645 28.701 281 HA CYS 39 HA CYS 39 -13.797 9.279 27.763 282 HB2 CYS 39 HB2 CYS 39 -13.811 11.739 28.374 283 HB3 CYS 39 HB3 CYS 39 -13.007 11.301 29.886 284 HG CYS 39 HG CYS 39 -11.241 12.185 28.182 285 HA PRO 40 HA PRO 40 -11.341 7.660 31.559 286 HB2 PRO 40 HB2 PRO 40 -12.588 7.378 34.017 287 HB3 PRO 40 HB3 PRO 40 -11.650 8.806 33.494 288 HG2 PRO 40 HG2 PRO 40 -14.657 8.404 33.341 289 HG3 PRO 40 HG3 PRO 40 -13.758 9.805 34.017 290 HD2 PRO 40 HD2 PRO 40 -14.719 9.928 31.538 291 HD3 PRO 40 HD3 PRO 40 -13.059 10.500 31.865 292 H LYS 41 H LYS 41 -14.627 6.636 30.928 293 HA LYS 41 HA LYS 41 -14.335 3.878 31.885 294 HB2 LYS 41 HB2 LYS 41 -16.356 5.204 30.024 295 HB3 LYS 41 HB3 LYS 41 -16.403 3.512 30.509 296 HG2 LYS 41 HG2 LYS 41 -16.593 4.170 32.884 297 HG3 LYS 41 HG3 LYS 41 -16.588 5.883 32.413 298 HD2 LYS 41 HD2 LYS 41 -18.673 5.582 31.145 299 HD3 LYS 41 HD3 LYS 41 -18.614 3.838 31.408 300 HE2 LYS 41 HE2 LYS 41 -20.229 4.722 32.915 301 HE3 LYS 41 HE3 LYS 41 -18.845 4.175 33.846 302 HZ1 LYS 41 HZ1 LYS 41 -19.416 7.001 33.132 303 HZ2 LYS 41 HZ2 LYS 41 -19.637 6.334 34.600 304 HZ3 LYS 41 HZ3 LYS 41 -18.128 6.500 34.019 305 H ALA 42 H ALA 42 -13.390 2.219 30.847 306 HA ALA 42 HA ALA 42 -12.853 2.391 27.942 307 HB1 ALA 42 HB1 ALA 42 -10.687 2.187 30.084 308 HB2 ALA 42 HB2 ALA 42 -10.418 2.106 28.333 309 HB3 ALA 42 HB3 ALA 42 -11.012 3.608 29.077 310 H ILE 43 H ILE 43 -12.648 0.600 26.924 311 HA ILE 43 HA ILE 43 -12.681 -1.483 26.212 312 HB ILE 43 HB ILE 43 -10.575 -1.678 28.360 313 HG12 ILE 43 HG12 ILE 43 -10.195 0.180 26.777 314 HG13 ILE 43 HG13 ILE 43 -8.981 -1.065 26.661 315 HG21 ILE 43 HG21 ILE 43 -11.020 -3.947 27.680 316 HG22 ILE 43 HG22 ILE 43 -11.011 -3.497 25.958 317 HG23 ILE 43 HG23 ILE 43 -9.521 -3.423 26.917 318 HD11 ILE 43 HD11 ILE 43 -11.290 -0.742 24.684 319 HD12 ILE 43 HD12 ILE 43 -9.631 -0.172 24.453 320 HD13 ILE 43 HD13 ILE 43 -9.948 -1.908 24.566 321 H GLN 44 H GLN 44 -13.476 -3.457 26.131 322 HA GLN 44 HA GLN 44 -14.304 -5.032 28.416 323 HB2 GLN 44 HB2 GLN 44 -16.644 -4.890 28.183 324 HB3 GLN 44 HB3 GLN 44 -16.088 -3.234 28.298 325 HG2 GLN 44 HG2 GLN 44 -16.979 -4.665 25.751 326 HG3 GLN 44 HG3 GLN 44 -17.906 -3.507 26.677 327 HE21 GLN 44 HE22 GLN 44 -15.150 -3.828 24.440 328 HE22 GLN 44 HE21 GLN 44 -15.128 -2.118 24.007 329 H CYS 45 H CYS 45 -15.184 -7.071 27.858 330 HA CYS 45 HA CYS 45 -15.142 -7.884 24.982 331 HB2 CYS 45 HB2 CYS 45 -13.693 -9.239 26.366 332 HB3 CYS 45 HB3 CYS 45 -14.958 -9.488 27.564 333 HG CYS 45 HG CYS 45 -14.803 -10.535 24.417 334 H SER 46 H SER 46 -17.071 -9.291 24.327 335 HA SER 46 HA SER 46 -19.514 -7.951 24.901 336 HB2 SER 46 HB2 SER 46 -20.718 -9.559 23.689 337 HB3 SER 46 HB3 SER 46 -19.187 -9.317 22.839 338 HG SER 46 HG SER 46 -18.535 -11.270 23.610 339 H LYS 47 H LYS 47 -21.218 -8.354 26.152 340 HA LYS 47 HA LYS 47 -22.282 -8.699 28.102 341 HB2 LYS 47 HB2 LYS 47 -21.328 -11.558 27.751 342 HB3 LYS 47 HB3 LYS 47 -22.612 -11.025 28.837 343 HG2 LYS 47 HG2 LYS 47 -23.960 -10.238 26.939 344 HG3 LYS 47 HG3 LYS 47 -22.673 -10.657 25.808 345 HD2 LYS 47 HD2 LYS 47 -24.368 -12.357 25.728 346 HD3 LYS 47 HD3 LYS 47 -22.882 -13.040 26.399 347 HE2 LYS 47 HE2 LYS 47 -23.824 -12.815 28.689 348 HE3 LYS 47 HE3 LYS 47 -25.289 -12.104 28.018 349 HZ1 LYS 47 HZ1 LYS 47 -24.332 -14.862 27.482 350 HZ2 LYS 47 HZ2 LYS 47 -25.581 -14.466 28.449 351 HZ3 LYS 47 HZ3 LYS 47 -25.687 -14.205 26.845 352 H CYS 48 H CYS 48 -19.060 -8.409 28.252 353 HA CYS 48 HA CYS 48 -18.829 -8.891 31.179 354 HB2 CYS 48 HB2 CYS 48 -16.793 -7.823 29.183 355 HB3 CYS 48 HB3 CYS 48 -16.499 -8.204 30.883 356 HG CYS 48 HG CYS 48 -17.608 -10.271 28.571 357 H ASP 49 H ASP 49 -19.036 -6.239 28.868 358 HA ASP 49 HA ASP 49 -19.228 -4.023 28.955 359 HB2 ASP 49 HB2 ASP 49 -20.611 -4.670 31.558 360 HB3 ASP 49 HB3 ASP 49 -20.493 -3.039 30.926 361 H GLU 50 H GLU 50 -17.324 -5.273 31.580 362 HA GLU 50 HA GLU 50 -15.409 -3.090 31.015 363 HB2 GLU 50 HB2 GLU 50 -16.004 -4.144 33.808 364 HB3 GLU 50 HB3 GLU 50 -14.610 -3.155 33.359 365 HG2 GLU 50 HG2 GLU 50 -16.177 -1.360 32.586 366 HG3 GLU 50 HG3 GLU 50 -17.524 -2.304 33.222 367 H VAL 51 H VAL 51 -13.619 -3.858 30.394 368 HA VAL 51 HA VAL 51 -12.125 -5.167 29.441 369 HB VAL 51 HB VAL 51 -10.523 -6.153 31.083 370 HG11 VAL 51 HG11 VAL 51 -10.342 -3.894 30.144 371 HG12 VAL 51 HG12 VAL 51 -11.406 -3.255 31.412 372 HG13 VAL 51 HG13 VAL 51 -9.813 -3.919 31.831 373 HG21 VAL 51 HG21 VAL 51 -10.771 -5.537 33.444 374 HG22 VAL 51 HG22 VAL 51 -12.361 -4.827 33.139 375 HG23 VAL 51 HG23 VAL 51 -12.128 -6.582 32.987 376 H GLY 52 H GLY 52 -13.503 -7.537 31.758 377 HA2 GLY 52 HA2 GLY 52 -14.066 -9.588 30.000 378 HA3 GLY 52 HA3 GLY 52 -12.331 -9.748 30.301 379 H HIS 53 H HIS 53 -14.403 -11.639 30.955 380 HA HIS 53 HA HIS 53 -14.737 -11.700 33.845 381 HB2 HIS 53 HB2 HIS 53 -15.628 -14.029 33.305 382 HB3 HIS 53 HB3 HIS 53 -16.510 -12.630 32.718 383 HD1 HIS 53 HD1 HIS 53 -13.816 -14.962 31.184 384 HD2 HIS 53 HD2 HIS 53 -17.299 -12.832 30.258 385 HE1 HIS 53 HE1 HIS 53 -14.307 -15.430 28.718 386 H TYR 54 H TYR 54 -13.192 -12.125 35.191 387 HA TYR 54 HA TYR 54 -11.417 -12.890 36.241 388 HB2 TYR 54 HB2 TYR 54 -12.449 -15.093 35.880 389 HB3 TYR 54 HB3 TYR 54 -11.456 -15.324 34.448 390 HD1 TYR 54 HD2 TYR 54 -10.934 -14.217 38.032 391 HD2 TYR 54 HD1 TYR 54 -9.651 -16.770 34.797 392 HE1 TYR 54 HE2 TYR 54 -9.088 -15.092 39.447 393 HE2 TYR 54 HE1 TYR 54 -7.829 -17.665 36.230 394 HH TYR 54 HH TYR 54 -6.816 -17.524 38.339 395 H ARG 55 H ARG 55 -9.154 -13.242 36.269 396 HA ARG 55 HA ARG 55 -7.224 -12.081 36.108 397 HB2 ARG 55 HB2 ARG 55 -7.330 -13.099 33.252 398 HB3 ARG 55 HB3 ARG 55 -5.894 -12.462 34.064 399 HG2 ARG 55 HG2 ARG 55 -6.210 -14.281 35.834 400 HG3 ARG 55 HG3 ARG 55 -7.460 -14.961 34.778 401 HD2 ARG 55 HD2 ARG 55 -5.435 -16.147 34.348 402 HD3 ARG 55 HD3 ARG 55 -5.775 -15.128 32.943 403 HE ARG 55 HE ARG 55 -4.025 -13.759 34.790 404 HH11 ARG 55 HH11 ARG 55 -3.878 -16.392 32.468 405 HH12 ARG 55 HH12 ARG 55 -2.175 -16.136 32.153 406 HH21 ARG 55 HH21 ARG 55 -1.858 -13.492 34.343 407 HH22 ARG 55 HH22 ARG 55 -1.068 -14.540 33.196 408 H SER 56 H SER 56 -9.660 -10.497 35.471 409 HA SER 56 HA SER 56 -10.404 -8.574 34.525 410 HB2 SER 56 HB2 SER 56 -7.592 -7.677 35.178 411 HB3 SER 56 HB3 SER 56 -9.000 -6.620 34.939 412 HG SER 56 HG SER 56 -8.632 -7.258 37.142 413 H GLN 57 H GLN 57 -9.369 -10.455 32.561 414 HA GLN 57 HA GLN 57 -9.192 -8.650 30.253 415 HB2 GLN 57 HB2 GLN 57 -7.021 -9.304 29.491 416 HB3 GLN 57 HB3 GLN 57 -6.862 -8.758 31.150 417 HG2 GLN 57 HG2 GLN 57 -6.982 -11.283 31.799 418 HG3 GLN 57 HG3 GLN 57 -6.720 -11.596 30.083 419 HE21 GLN 57 HE22 GLN 57 -5.278 -10.078 32.978 420 HE22 GLN 57 HE21 GLN 57 -3.623 -10.084 32.369 421 H CYS 58 H CYS 58 -9.940 -11.756 31.492 422 HA CYS 58 HA CYS 58 -10.277 -13.799 30.667 423 HB2 CYS 58 HB2 CYS 58 -12.260 -13.977 29.347 424 HB3 CYS 58 HB3 CYS 58 -12.412 -12.796 30.655 425 HG CYS 58 HG CYS 58 -11.654 -12.066 27.553 426 HA PRO 59 HA PRO 59 -7.363 -14.148 27.179 427 HB2 PRO 59 HB2 PRO 59 -6.775 -16.697 28.669 428 HB3 PRO 59 HB3 PRO 59 -5.639 -15.559 27.884 429 HG2 PRO 59 HG2 PRO 59 -5.955 -15.511 30.562 430 HG3 PRO 59 HG3 PRO 59 -5.912 -13.965 29.652 431 HD2 PRO 59 HD2 PRO 59 -8.343 -15.506 30.613 432 HD3 PRO 59 HD3 PRO 59 -7.969 -13.768 30.796 433 H HIS 60 H HIS 60 -10.236 -15.438 27.449 434 HA HIS 60 HA HIS 60 -11.671 -16.637 26.291 435 HB2 HIS 60 HB2 HIS 60 -10.492 -15.112 24.613 436 HB3 HIS 60 HB3 HIS 60 -9.756 -16.573 23.968 437 HD1 HIS 60 HD1 HIS 60 -11.346 -17.971 22.333 438 HD2 HIS 60 HD2 HIS 60 -13.252 -14.954 24.550 439 HE1 HIS 60 HE1 HIS 60 -13.702 -17.783 21.407 440 H LYS 61 H LYS 61 -8.568 -18.304 26.247 441 HA LYS 61 HA LYS 61 -9.603 -20.877 25.450 442 HB2 LYS 61 HB2 LYS 61 -7.460 -21.750 26.041 443 HB3 LYS 61 HB3 LYS 61 -7.247 -20.223 25.192 444 HG2 LYS 61 HG2 LYS 61 -6.738 -19.068 27.302 445 HG3 LYS 61 HG3 LYS 61 -7.125 -20.520 28.230 446 HD2 LYS 61 HD2 LYS 61 -4.740 -20.316 28.091 447 HD3 LYS 61 HD3 LYS 61 -5.250 -21.727 27.159 448 HE2 LYS 61 HE2 LYS 61 -5.049 -20.418 25.063 449 HE3 LYS 61 HE3 LYS 61 -4.594 -18.989 25.988 450 HZ1 LYS 61 HZ1 LYS 61 -3.051 -21.511 25.859 451 HZ2 LYS 61 HZ2 LYS 61 -2.639 -20.122 25.116 452 HZ3 LYS 61 HZ3 LYS 61 -2.617 -20.215 26.750 453 H TRP 62 H TRP 62 -10.295 -19.241 28.217 454 HA TRP 62 HA TRP 62 -10.177 -21.249 30.255 455 HB2 TRP 62 HB2 TRP 62 -10.271 -18.811 30.581 456 HB3 TRP 62 HB3 TRP 62 -11.888 -18.763 29.902 457 HD1 TRP 62 HD1 TRP 62 -10.290 -20.782 32.805 458 HE1 TRP 62 HE1 TRP 62 -11.761 -20.554 34.881 459 HE3 TRP 62 HE3 TRP 62 -13.950 -17.768 30.876 460 HZ2 TRP 62 HZ2 TRP 62 -14.182 -19.200 35.642 461 HZ3 TRP 62 HZ3 TRP 62 -15.816 -17.000 32.321 462 HH2 TRP 62 HH2 TRP 62 -15.943 -17.706 34.694 463 H LYS 63 H LYS 63 -12.455 -20.859 27.650 464 HA LYS 63 HA LYS 63 -14.769 -21.968 28.923 465 HB2 LYS 63 HB2 LYS 63 -14.771 -20.421 26.998 466 HB3 LYS 63 HB3 LYS 63 -14.116 -21.695 25.968 467 HG2 LYS 63 HG2 LYS 63 -16.144 -23.048 26.313 468 HG3 LYS 63 HG3 LYS 63 -16.771 -21.843 27.461 469 HD2 LYS 63 HD2 LYS 63 -16.786 -20.142 25.615 470 HD3 LYS 63 HD3 LYS 63 -16.166 -21.368 24.511 471 HE2 LYS 63 HE2 LYS 63 -18.489 -21.253 24.105 472 HE3 LYS 63 HE3 LYS 63 -18.216 -22.756 24.970 473 HZ1 LYS 63 HZ1 LYS 63 -19.219 -20.236 26.183 474 HZ2 LYS 63 HZ2 LYS 63 -20.129 -21.538 25.841 475 HZ3 LYS 63 HZ3 LYS 63 -18.993 -21.631 27.005 476 H LYS 64 H LYS 64 -15.222 -23.904 29.435 477 HA LYS 64 HA LYS 64 -15.471 -26.107 29.700 478 HB2 LYS 64 HB2 LYS 64 -15.247 -26.077 26.683 479 HB3 LYS 64 HB3 LYS 64 -15.773 -27.467 27.631 480 HG2 LYS 64 HG2 LYS 64 -17.587 -26.026 28.643 481 HG3 LYS 64 HG3 LYS 64 -17.179 -24.774 27.468 482 HD2 LYS 64 HD2 LYS 64 -18.134 -27.607 26.864 483 HD3 LYS 64 HD3 LYS 64 -19.091 -26.129 26.730 484 HE2 LYS 64 HE2 LYS 64 -17.520 -25.298 24.972 485 HE3 LYS 64 HE3 LYS 64 -16.621 -26.807 25.082 486 HZ1 LYS 64 HZ1 LYS 64 -19.469 -26.601 24.278 487 HZ2 LYS 64 HZ2 LYS 64 -18.222 -26.864 23.264 488 HZ3 LYS 64 HZ3 LYS 64 -18.617 -27.991 24.370 489 H VAL 65 H VAL 65 -12.440 -25.617 27.932 490 HA VAL 65 HA VAL 65 -11.646 -28.338 28.024 491 HB VAL 65 HB VAL 65 -9.368 -27.550 27.495 492 HG11 VAL 65 HG11 VAL 65 -11.029 -27.946 25.730 493 HG12 VAL 65 HG12 VAL 65 -11.587 -26.261 25.851 494 HG13 VAL 65 HG13 VAL 65 -9.939 -26.618 25.305 495 HG21 VAL 65 HG21 VAL 65 -10.546 -24.741 27.608 496 HG22 VAL 65 HG22 VAL 65 -9.349 -25.398 28.746 497 HG23 VAL 65 HG23 VAL 65 -8.929 -25.196 27.042 498 H GLN 66 H GLN 66 -10.269 -29.542 29.226 499 HA GLN 66 HA GLN 66 -10.257 -28.958 32.069 500 HB2 GLN 66 HB2 GLN 66 -10.803 -31.144 30.965 501 HB3 GLN 66 HB3 GLN 66 -9.092 -31.328 30.566 502 HG2 GLN 66 HG2 GLN 66 -8.529 -31.384 32.974 503 HG3 GLN 66 HG3 GLN 66 -10.212 -31.048 33.390 504 HE21 GLN 66 HE22 GLN 66 -9.527 -33.168 34.689 505 HE22 GLN 66 HE21 GLN 66 -9.964 -34.663 33.869 506 H CYS 67 H CYS 67 -7.944 -28.448 29.547 507 HA CYS 67 HA CYS 67 -5.661 -28.340 31.460 508 HB2 CYS 67 HB2 CYS 67 -5.654 -28.184 28.430 509 HB3 CYS 67 HB3 CYS 67 -4.233 -28.198 29.490 510 HG CYS 67 HG CYS 67 -6.581 -30.484 29.340 511 H THR 68 H THR 68 -4.446 -26.530 31.774 512 HA THR 68 HA THR 68 -5.799 -23.992 31.597 513 HB THR 68 HB THR 68 -4.412 -24.609 33.478 514 HG1 THR 68 HG1 THR 68 -3.454 -22.613 33.564 515 HG21 THR 68 HG21 THR 68 -1.933 -24.210 31.745 516 HG22 THR 68 HG22 THR 68 -2.015 -24.650 33.459 517 HG23 THR 68 HG23 THR 68 -2.533 -25.810 32.240 518 H LEU 69 H LEU 69 -3.162 -25.418 29.728 519 HA LEU 69 HA LEU 69 -2.588 -22.870 28.392 520 HB2 LEU 69 HB2 LEU 69 -0.584 -23.815 27.706 521 HB3 LEU 69 HB3 LEU 69 -0.822 -24.338 29.356 522 HG LEU 69 HG LEU 69 -1.212 -26.037 26.843 523 HD11 LEU 69 HD11 LEU 69 0.784 -27.221 27.637 524 HD12 LEU 69 HD12 LEU 69 1.141 -25.503 27.404 525 HD13 LEU 69 HD13 LEU 69 0.893 -26.139 29.043 526 HD21 LEU 69 HD21 LEU 69 -1.350 -27.964 28.418 527 HD22 LEU 69 HD22 LEU 69 -1.448 -26.833 29.780 528 HD23 LEU 69 HD23 LEU 69 -2.739 -26.896 28.537 529 H CYS 70 H CYS 70 -4.320 -25.773 27.573 530 HA CYS 70 HA CYS 70 -3.770 -25.710 24.754 531 HB2 CYS 70 HB2 CYS 70 -5.878 -27.207 26.358 532 HB3 CYS 70 HB3 CYS 70 -5.486 -27.515 24.667 533 HG CYS 70 HG CYS 70 -2.927 -27.992 25.060 534 H LYS 71 H LYS 71 -5.028 -25.176 23.018 535 HA LYS 71 HA LYS 71 -7.356 -23.363 23.493 536 HB2 LYS 71 HB2 LYS 71 -5.219 -22.634 22.204 537 HB3 LYS 71 HB3 LYS 71 -5.777 -23.694 20.916 538 HG2 LYS 71 HG2 LYS 71 -6.422 -21.473 20.389 539 HG3 LYS 71 HG3 LYS 71 -7.903 -22.343 20.798 540 HD2 LYS 71 HD2 LYS 71 -7.940 -21.328 23.031 541 HD3 LYS 71 HD3 LYS 71 -6.367 -20.567 22.760 542 HE2 LYS 71 HE2 LYS 71 -8.907 -19.989 21.180 543 HE3 LYS 71 HE3 LYS 71 -8.328 -19.035 22.541 544 HZ1 LYS 71 HZ1 LYS 71 -6.289 -18.583 21.252 545 HZ2 LYS 71 HZ2 LYS 71 -6.902 -19.383 19.966 546 HZ3 LYS 71 HZ3 LYS 71 -7.617 -18.020 20.494 547 H SER 72 H SER 72 -6.407 -26.311 21.809 548 HA SER 72 HA SER 72 -8.922 -26.648 20.428 549 HB2 SER 72 HB2 SER 72 -6.651 -28.580 20.950 550 HB3 SER 72 HB3 SER 72 -7.988 -28.827 19.805 551 HG SER 72 HG SER 72 -6.197 -27.817 18.813 552 H LYS 73 H LYS 73 -10.282 -28.530 20.614 553 HA LYS 73 HA LYS 73 -10.796 -29.417 23.404 554 HB2 LYS 73 HB2 LYS 73 -13.161 -29.088 23.128 555 HB3 LYS 73 HB3 LYS 73 -12.307 -27.578 22.950 556 HG2 LYS 73 HG2 LYS 73 -13.237 -29.199 20.539 557 HG3 LYS 73 HG3 LYS 73 -14.286 -28.081 21.405 558 HD2 LYS 73 HD2 LYS 73 -12.631 -26.240 20.990 559 HD3 LYS 73 HD3 LYS 73 -11.733 -27.316 19.916 560 HE2 LYS 73 HE2 LYS 73 -14.659 -26.529 19.600 561 HE3 LYS 73 HE3 LYS 73 -13.318 -25.769 18.762 562 HZ1 LYS 73 HZ1 LYS 73 -14.120 -28.611 18.462 563 HZ2 LYS 73 HZ2 LYS 73 -14.334 -27.429 17.365 564 HZ3 LYS 73 HZ3 LYS 73 -12.826 -27.925 17.723 565 H LYS 74 H LYS 74 -12.301 -31.222 23.559 566 HA LYS 74 HA LYS 74 -12.508 -33.462 23.429 567 HB2 LYS 74 HB2 LYS 74 -13.950 -32.544 21.476 568 HB3 LYS 74 HB3 LYS 74 -12.715 -33.190 20.423 569 HG2 LYS 74 HG2 LYS 74 -14.495 -34.768 20.532 570 HG3 LYS 74 HG3 LYS 74 -13.136 -35.481 21.376 571 HD2 LYS 74 HD2 LYS 74 -15.168 -35.969 22.563 572 HD3 LYS 74 HD3 LYS 74 -14.209 -34.879 23.566 573 HE2 LYS 74 HE2 LYS 74 -15.611 -32.969 22.825 574 HE3 LYS 74 HE3 LYS 74 -16.509 -34.034 21.749 575 HZ1 LYS 74 HZ1 LYS 74 -17.292 -35.254 23.698 576 HZ2 LYS 74 HZ2 LYS 74 -16.456 -34.274 24.706 577 HZ3 LYS 74 HZ3 LYS 74 -17.695 -33.683 23.828 578 H HIS 75 H HIS 75 -9.856 -32.503 23.504 579 HA HIS 75 HA HIS 75 -8.203 -34.383 21.932 580 HB2 HIS 75 HB2 HIS 75 -6.325 -33.127 22.884 581 HB3 HIS 75 HB3 HIS 75 -7.477 -32.089 22.057 582 HD1 HIS 75 HD1 HIS 75 -8.428 -33.013 25.613 583 HD2 HIS 75 HD2 HIS 75 -6.332 -30.035 23.544 584 HE1 HIS 75 HE1 HIS 75 -8.173 -31.081 27.234 585 H SER 76 H SER 76 -6.607 -35.800 22.928 586 HA SER 76 HA SER 76 -6.694 -36.299 25.824 587 HB2 SER 76 HB2 SER 76 -7.386 -38.696 25.537 588 HB3 SER 76 HB3 SER 76 -8.673 -37.532 25.195 589 HG SER 76 HG SER 76 -8.509 -39.069 23.538 590 H LYS 77 H LYS 77 -5.873 -38.256 22.976 591 HA LYS 77 HA LYS 77 -4.073 -39.886 24.148 592 HB2 LYS 77 HB2 LYS 77 -4.156 -39.039 21.226 593 HB3 LYS 77 HB3 LYS 77 -3.210 -40.396 21.805 594 HG2 LYS 77 HG2 LYS 77 -6.243 -40.189 22.019 595 HG3 LYS 77 HG3 LYS 77 -5.339 -41.084 20.800 596 HD2 LYS 77 HD2 LYS 77 -4.310 -42.484 22.601 597 HD3 LYS 77 HD3 LYS 77 -5.347 -41.667 23.793 598 HE2 LYS 77 HE2 LYS 77 -7.353 -42.430 22.569 599 HE3 LYS 77 HE3 LYS 77 -6.337 -43.218 21.369 600 HZ1 LYS 77 HZ1 LYS 77 -7.099 -44.801 23.024 601 HZ2 LYS 77 HZ2 LYS 77 -5.481 -44.665 23.133 602 HZ3 LYS 77 HZ3 LYS 77 -6.441 -43.945 24.244 603 H GLU 78 H GLU 78 -1.951 -40.322 24.187 604 HA GLU 78 HA GLU 78 0.110 -39.874 24.976 605 HB2 GLU 78 HB2 GLU 78 0.251 -37.878 22.693 606 HB3 GLU 78 HB3 GLU 78 1.620 -38.530 23.600 607 HG2 GLU 78 HG2 GLU 78 0.993 -40.828 22.874 608 HG3 GLU 78 HG3 GLU 78 -0.300 -40.158 21.893 609 H ARG 79 H ARG 79 -2.061 -38.438 26.223 610 HA ARG 79 HA ARG 79 -2.655 -36.697 27.553 611 HB2 ARG 79 HB2 ARG 79 0.279 -36.704 28.339 612 HB3 ARG 79 HB3 ARG 79 -1.026 -35.939 29.234 613 HG2 ARG 79 HG2 ARG 79 -0.710 -38.933 28.772 614 HG3 ARG 79 HG3 ARG 79 -0.370 -38.046 30.256 615 HD2 ARG 79 HD2 ARG 79 -2.804 -37.366 30.345 616 HD3 ARG 79 HD3 ARG 79 -3.096 -38.404 28.956 617 HE ARG 79 HE ARG 79 -2.776 -40.333 30.251 618 HH11 ARG 79 HH11 ARG 79 -2.245 -37.519 32.294 619 HH12 ARG 79 HH12 ARG 79 -2.372 -38.460 33.765 620 HH21 ARG 79 HH21 ARG 79 -2.916 -41.457 32.150 621 HH22 ARG 79 HH22 ARG 79 -2.742 -40.633 33.679 622 H CYS 80 H CYS 80 -2.736 -35.966 25.221 623 HA CYS 80 HA CYS 80 -2.750 -34.482 23.610 624 HB2 CYS 80 HB2 CYS 80 -1.766 -32.433 25.605 625 HB3 CYS 80 HB3 CYS 80 -2.329 -32.082 23.967 626 HG CYS 80 HG CYS 80 -3.954 -33.659 26.353 627 HA PRO 81 HA PRO 81 1.240 -35.292 22.019 628 HB2 PRO 81 HB2 PRO 81 1.037 -34.412 19.439 629 HB3 PRO 81 HB3 PRO 81 0.162 -35.842 20.061 630 HG2 PRO 81 HG2 PRO 81 -0.876 -33.002 19.800 631 HG3 PRO 81 HG3 PRO 81 -1.649 -34.516 19.226 632 HD2 PRO 81 HD2 PRO 81 -2.334 -33.389 21.598 633 HD3 PRO 81 HD3 PRO 81 -2.217 -35.167 21.429 634 H SER 82 H SER 82 3.185 -34.384 21.280 635 HA SER 82 HA SER 82 4.904 -32.921 21.291 636 HB2 SER 82 HB2 SER 82 2.943 -30.808 20.339 637 HB3 SER 82 HB3 SER 82 4.666 -30.973 19.947 638 HG SER 82 HG SER 82 4.143 -32.774 18.761 639 H ILE 83 H ILE 83 3.035 -32.760 23.779 640 HA ILE 83 HA ILE 83 2.588 -31.507 25.572 641 HB ILE 83 HB ILE 83 5.332 -30.281 25.546 642 HG12 ILE 83 HG12 ILE 83 4.787 -33.237 26.038 643 HG13 ILE 83 HG13 ILE 83 5.791 -32.547 24.760 644 HG21 ILE 83 HG21 ILE 83 3.642 -29.909 27.425 645 HG22 ILE 83 HG22 ILE 83 3.711 -31.649 27.744 646 HG23 ILE 83 HG23 ILE 83 5.154 -30.633 27.954 647 HD11 ILE 83 HD11 ILE 83 7.268 -33.372 26.415 648 HD12 ILE 83 HD12 ILE 83 7.317 -31.602 26.521 649 HD13 ILE 83 HD13 ILE 83 6.409 -32.554 27.727 650 H TRP 84 H TRP 84 1.738 -30.319 23.176 651 HA TRP 84 HA TRP 84 0.967 -28.471 22.181 652 HB2 TRP 84 HB2 TRP 84 -0.198 -28.504 24.394 653 HB3 TRP 84 HB3 TRP 84 0.921 -27.277 24.954 654 HD1 TRP 84 HD1 TRP 84 -0.146 -25.028 24.962 655 HE1 TRP 84 HE1 TRP 84 -1.925 -23.757 23.649 656 HE3 TRP 84 HE3 TRP 84 -1.280 -28.596 21.458 657 HZ2 TRP 84 HZ2 TRP 84 -3.476 -24.126 21.263 658 HZ3 TRP 84 HZ3 TRP 84 -2.919 -28.088 19.669 659 HH2 TRP 84 HH2 TRP 84 -4.022 -25.871 19.559 660 H ARG 85 H ARG 85 3.991 -28.578 22.608 661 HA ARG 85 HA ARG 85 5.043 -25.934 22.801 662 HB2 ARG 85 HB2 ARG 85 6.164 -28.497 21.601 663 HB3 ARG 85 HB3 ARG 85 7.102 -27.023 21.792 664 HG2 ARG 85 HG2 ARG 85 6.953 -27.070 24.179 665 HG3 ARG 85 HG3 ARG 85 5.743 -28.353 24.161 666 HD2 ARG 85 HD2 ARG 85 7.937 -29.253 24.781 667 HD3 ARG 85 HD3 ARG 85 7.332 -29.961 23.298 668 HE ARG 85 HE ARG 85 9.110 -29.094 22.120 669 HH11 ARG 85 HH11 ARG 85 9.093 -27.430 25.217 670 HH12 ARG 85 HH12 ARG 85 10.666 -26.713 24.929 671 HH21 ARG 85 HH21 ARG 85 11.091 -28.163 21.830 672 HH22 ARG 85 HH22 ARG 85 11.766 -27.125 23.058 673 H ALA 86 H ALA 86 3.433 -27.368 20.127 674 HA ALA 86 HA ALA 86 4.663 -25.743 18.055 675 HB1 ALA 86 HB1 ALA 86 2.006 -27.228 18.120 676 HB2 ALA 86 HB2 ALA 86 2.823 -26.595 16.678 677 HB3 ALA 86 HB3 ALA 86 3.569 -27.905 17.607 678 H TYR 87 H TYR 87 2.376 -24.993 20.528 679 HA TYR 87 HA TYR 87 1.258 -22.650 19.101 680 HB2 TYR 87 HB2 TYR 87 -0.107 -24.382 20.431 681 HB3 TYR 87 HB3 TYR 87 0.565 -23.635 21.870 682 HD1 TYR 87 HD2 TYR 87 -1.341 -22.905 18.724 683 HD2 TYR 87 HD1 TYR 87 -0.510 -21.697 22.777 684 HE1 TYR 87 HE2 TYR 87 -3.170 -21.231 18.594 685 HE2 TYR 87 HE1 TYR 87 -2.359 -20.018 22.643 686 HH TYR 87 HH TYR 87 -4.266 -19.542 19.734 687 H ILE 88 H ILE 88 1.065 -20.609 20.456 688 HA ILE 88 HA ILE 88 3.430 -20.057 22.136 689 HB ILE 88 HB ILE 88 4.094 -19.654 19.798 690 HG12 ILE 88 HG12 ILE 88 4.989 -17.403 19.978 691 HG13 ILE 88 HG13 ILE 88 3.923 -17.027 21.322 692 HG21 ILE 88 HG21 ILE 88 1.908 -19.021 18.829 693 HG22 ILE 88 HG22 ILE 88 1.961 -17.481 19.714 694 HG23 ILE 88 HG23 ILE 88 3.163 -17.839 18.464 695 HD11 ILE 88 HD11 ILE 88 6.251 -17.573 22.022 696 HD12 ILE 88 HD12 ILE 88 5.094 -18.711 22.728 697 HD13 ILE 88 HD13 ILE 88 6.078 -19.195 21.326 698 H LEU 89 H LEU 89 3.313 -18.219 23.435 699 HA LEU 89 HA LEU 89 0.715 -16.811 23.671 700 HB2 LEU 89 HB2 LEU 89 0.792 -18.741 25.261 701 HB3 LEU 89 HB3 LEU 89 2.282 -18.102 25.941 702 HG LEU 89 HG LEU 89 1.048 -16.074 26.724 703 HD11 LEU 89 HD11 LEU 89 -0.820 -16.017 25.096 704 HD12 LEU 89 HD12 LEU 89 -1.407 -17.579 25.704 705 HD13 LEU 89 HD13 LEU 89 -1.441 -16.142 26.744 706 HD21 LEU 89 HD21 LEU 89 1.351 -18.034 28.192 707 HD22 LEU 89 HD22 LEU 89 -0.174 -17.203 28.523 708 HD23 LEU 89 HD23 LEU 89 -0.175 -18.724 27.601 709 H VAL 90 H VAL 90 0.865 -14.683 24.362 710 HA VAL 90 HA VAL 90 3.398 -13.357 23.899 711 HB VAL 90 HB VAL 90 0.748 -12.223 24.866 712 HG11 VAL 90 HG11 VAL 90 1.608 -10.075 23.966 713 HG12 VAL 90 HG12 VAL 90 2.585 -10.646 25.320 714 HG13 VAL 90 HG13 VAL 90 3.180 -10.837 23.653 715 HG21 VAL 90 HG21 VAL 90 0.500 -13.296 22.659 716 HG22 VAL 90 HG22 VAL 90 0.468 -11.542 22.485 717 HG23 VAL 90 HG23 VAL 90 1.939 -12.442 22.064 718 H ASP 91 H ASP 91 1.400 -13.817 26.817 719 HA ASP 91 HA ASP 91 1.797 -13.614 29.021 720 HB2 ASP 91 HB2 ASP 91 3.040 -15.648 28.253 721 HB3 ASP 91 HB3 ASP 91 4.523 -14.707 28.296 722 H ASP 92 H ASP 92 2.347 -11.119 27.675 723 HA ASP 92 HA ASP 92 4.524 -9.905 29.313 724 HB2 ASP 92 HB2 ASP 92 4.599 -9.899 26.790 725 HB3 ASP 92 HB3 ASP 92 3.202 -8.833 26.813 726 H ASN 93 H ASN 93 1.291 -10.213 29.697 727 HA ASN 93 HA ASN 93 0.560 -7.422 30.190 728 HB2 ASN 93 HB2 ASN 93 -0.934 -10.038 30.580 729 HB3 ASN 93 HB3 ASN 93 -1.617 -8.451 30.903 730 HD21 ASN 93 HD22 ASN 93 -2.947 -9.989 29.082 731 HD22 ASN 93 HD21 ASN 93 -2.683 -9.358 27.463 732 H GLU 94 H GLU 94 1.459 -6.414 31.856 733 HA GLU 94 HA GLU 94 2.312 -7.768 34.270 734 HB2 GLU 94 HB2 GLU 94 2.315 -4.832 33.481 735 HB3 GLU 94 HB3 GLU 94 3.045 -5.478 34.952 736 HG2 GLU 94 HG2 GLU 94 4.483 -6.971 33.547 737 HG3 GLU 94 HG3 GLU 94 3.862 -6.169 32.109 738 H LYS 95 H LYS 95 -0.711 -6.445 33.481 739 HA LYS 95 HA LYS 95 -1.499 -6.268 36.368 740 HB2 LYS 95 HB2 LYS 95 -2.503 -4.609 34.033 741 HB3 LYS 95 HB3 LYS 95 -3.268 -4.670 35.623 742 HG2 LYS 95 HG2 LYS 95 -1.164 -3.853 36.669 743 HG3 LYS 95 HG3 LYS 95 -0.428 -3.720 35.062 744 HD2 LYS 95 HD2 LYS 95 -2.195 -2.108 34.388 745 HD3 LYS 95 HD3 LYS 95 -2.918 -2.234 36.005 746 HE2 LYS 95 HE2 LYS 95 -0.800 -1.413 37.007 747 HE3 LYS 95 HE3 LYS 95 -0.089 -1.285 35.403 748 HZ1 LYS 95 HZ1 LYS 95 -2.441 0.260 36.348 749 HZ2 LYS 95 HZ2 LYS 95 -0.936 0.851 36.154 750 HZ3 LYS 95 HZ3 LYS 95 -1.789 0.373 34.852 751 H ALA 96 H ALA 96 -2.644 -7.898 36.938 752 HA ALA 96 HA ALA 96 -5.021 -8.707 35.352 753 HB1 ALA 96 HB1 ALA 96 -4.554 -11.081 35.791 754 HB2 ALA 96 HB2 ALA 96 -3.206 -10.348 34.903 755 HB3 ALA 96 HB3 ALA 96 -3.058 -10.650 36.646 756 H LYS 97 H LYS 97 -4.494 -6.995 37.758 757 HA LYS 97 HA LYS 97 -5.469 -8.542 40.058 758 HB2 LYS 97 HB2 LYS 97 -4.675 -6.689 41.404 759 HB3 LYS 97 HB3 LYS 97 -3.434 -7.221 40.277 760 HG2 LYS 97 HG2 LYS 97 -4.077 -5.291 38.755 761 HG3 LYS 97 HG3 LYS 97 -5.166 -4.723 40.024 762 HD2 LYS 97 HD2 LYS 97 -2.145 -5.064 40.269 763 HD3 LYS 97 HD3 LYS 97 -3.000 -3.540 40.020 764 HE2 LYS 97 HE2 LYS 97 -4.189 -3.873 42.189 765 HE3 LYS 97 HE3 LYS 97 -3.270 -5.352 42.453 766 HZ1 LYS 97 HZ1 LYS 97 -2.248 -3.486 43.591 767 HZ2 LYS 97 HZ2 LYS 97 -1.232 -4.013 42.433 768 HZ3 LYS 97 HZ3 LYS 97 -2.092 -2.640 42.210 769 HA PRO 98 HA PRO 98 -9.552 -6.826 40.058 770 HB2 PRO 98 HB2 PRO 98 -10.296 -6.970 42.678 771 HB3 PRO 98 HB3 PRO 98 -10.027 -8.420 41.666 772 HG2 PRO 98 HG2 PRO 98 -8.072 -7.105 43.582 773 HG3 PRO 98 HG3 PRO 98 -8.535 -8.835 43.493 774 HD2 PRO 98 HD2 PRO 98 -6.292 -7.895 42.286 775 HD3 PRO 98 HD3 PRO 98 -7.290 -9.160 41.515 776 H LYS 99 H LYS 99 -10.899 -5.110 40.888 777 HA LYS 99 HA LYS 99 -9.527 -2.731 42.058 778 HB2 LYS 99 HB2 LYS 99 -11.452 -2.785 39.701 779 HB3 LYS 99 HB3 LYS 99 -10.988 -1.321 40.578 780 HG2 LYS 99 HG2 LYS 99 -8.599 -1.731 39.991 781 HG3 LYS 99 HG3 LYS 99 -9.077 -3.166 39.081 782 HD2 LYS 99 HD2 LYS 99 -8.737 -1.370 37.534 783 HD3 LYS 99 HD3 LYS 99 -10.465 -1.739 37.579 784 HE2 LYS 99 HE2 LYS 99 -10.848 0.203 39.069 785 HE3 LYS 99 HE3 LYS 99 -9.118 0.528 39.108 786 HZ1 LYS 99 HZ1 LYS 99 -10.811 0.660 36.675 787 HZ2 LYS 99 HZ2 LYS 99 -10.245 1.944 37.504 788 HZ3 LYS 99 HZ3 LYS 99 -9.205 0.968 36.720 789 H VAL 100 H VAL 100 -11.134 -1.123 42.873 790 HA VAL 100 HA VAL 100 -12.566 -2.510 44.956 791 HB VAL 100 HB VAL 100 -12.841 -0.303 45.980 792 HG11 VAL 100 HG11 VAL 100 -10.498 0.165 46.360 793 HG12 VAL 100 HG12 VAL 100 -10.746 -1.586 46.269 794 HG13 VAL 100 HG13 VAL 100 -10.026 -0.718 44.897 795 HG21 VAL 100 HG21 VAL 100 -11.459 0.833 43.502 796 HG22 VAL 100 HG22 VAL 100 -13.167 1.076 43.929 797 HG23 VAL 100 HG23 VAL 100 -11.893 1.706 44.981 798 H LEU 101 H LEU 101 -13.815 -1.772 41.991 799 HA LEU 101 HA LEU 101 -16.481 -1.024 43.043 800 HB2 LEU 101 HB2 LEU 101 -17.017 -0.056 41.016 801 HB3 LEU 101 HB3 LEU 101 -15.412 0.499 41.436 802 HG LEU 101 HG LEU 101 -16.120 -1.573 39.305 803 HD11 LEU 101 HD11 LEU 101 -15.035 1.270 39.106 804 HD12 LEU 101 HD12 LEU 101 -15.394 0.179 37.749 805 HD13 LEU 101 HD13 LEU 101 -16.708 0.773 38.772 806 HD21 LEU 101 HD21 LEU 101 -13.898 -2.147 40.128 807 HD22 LEU 101 HD22 LEU 101 -13.731 -1.320 38.584 808 HD23 LEU 101 HD23 LEU 101 -13.398 -0.428 40.084 809 HA PRO 102 HA PRO 102 -18.041 -5.036 42.073 810 HB2 PRO 102 HB2 PRO 102 -20.704 -4.708 42.411 811 HB3 PRO 102 HB3 PRO 102 -19.545 -4.459 43.751 812 HG2 PRO 102 HG2 PRO 102 -20.750 -2.352 41.922 813 HG3 PRO 102 HG3 PRO 102 -20.707 -2.358 43.716 814 HD2 PRO 102 HD2 PRO 102 -18.840 -1.037 42.210 815 HD3 PRO 102 HD3 PRO 102 -18.424 -1.829 43.759 816 H PHE 103 H PHE 103 -19.617 -6.255 40.752 817 HA PHE 103 HA PHE 103 -19.614 -5.362 37.938 818 HB2 PHE 103 HB2 PHE 103 -18.671 -7.552 38.762 819 HB3 PHE 103 HB3 PHE 103 -20.302 -8.055 39.157 820 HD1 PHE 103 HD2 PHE 103 -18.014 -7.066 36.381 821 HD2 PHE 103 HD1 PHE 103 -21.731 -8.972 37.442 822 HE1 PHE 103 HE2 PHE 103 -18.200 -7.985 34.087 823 HE2 PHE 103 HE1 PHE 103 -21.907 -9.891 35.144 824 HZ PHE 103 HZ PHE 103 -20.152 -9.391 33.462 825 H HIS 104 H HIS 104 -21.482 -5.502 36.591 826 HA HIS 104 HA HIS 104 -23.583 -4.792 36.050 827 HB2 HIS 104 HB2 HIS 104 -24.053 -7.243 37.740 828 HB3 HIS 104 HB3 HIS 104 -25.387 -6.386 36.986 829 HD1 HIS 104 HD1 HIS 104 -25.597 -8.884 35.787 830 HD2 HIS 104 HD2 HIS 104 -22.626 -6.211 34.494 831 HE1 HIS 104 HE1 HIS 104 -24.962 -9.603 33.437 832 H THR 105 H THR 105 -22.995 -2.811 37.331 833 HA THR 105 HA THR 105 -24.695 -2.068 39.580 834 HB THR 105 HB THR 105 -23.619 0.211 39.009 835 HG1 THR 105 HG1 THR 105 -21.941 0.044 37.546 836 HG21 THR 105 HG21 THR 105 -21.456 -0.398 39.930 837 HG22 THR 105 HG22 THR 105 -22.721 -1.316 40.761 838 HG23 THR 105 HG23 THR 105 -21.714 -2.111 39.530 839 H ILE 106 H ILE 106 -26.418 -2.992 37.825 840 HA ILE 106 HA ILE 106 -27.322 -1.018 35.884 841 HB ILE 106 HB ILE 106 -28.951 -2.699 35.221 842 HG12 ILE 106 HG12 ILE 106 -27.819 -4.461 37.441 843 HG13 ILE 106 HG13 ILE 106 -29.401 -3.678 37.476 844 HG21 ILE 106 HG21 ILE 106 -27.368 -4.255 34.271 845 HG22 ILE 106 HG22 ILE 106 -26.598 -2.673 34.361 846 HG23 ILE 106 HG23 ILE 106 -26.181 -3.925 35.547 847 HD11 ILE 106 HD11 ILE 106 -30.057 -4.949 35.428 848 HD12 ILE 106 HD12 ILE 106 -28.508 -5.827 35.513 849 HD13 ILE 106 HD13 ILE 106 -29.687 -5.980 36.825 850 H TYR 107 H TYR 107 -29.498 -0.383 35.591 851 HA TYR 107 HA TYR 107 -31.190 0.039 38.003 852 HB2 TYR 107 HB2 TYR 107 -30.353 2.178 36.005 853 HB3 TYR 107 HB3 TYR 107 -31.509 2.393 37.301 854 HD1 TYR 107 HD2 TYR 107 -30.765 2.163 39.717 855 HD2 TYR 107 HD1 TYR 107 -28.005 2.485 36.421 856 HE1 TYR 107 HE2 TYR 107 -28.945 2.813 41.297 857 HE2 TYR 107 HE1 TYR 107 -26.198 3.145 37.990 858 HH TYR 107 HH TYR 107 -25.679 3.549 40.237 859 H CYS 108 H CYS 108 -33.373 0.936 37.277 860 HA CYS 108 HA CYS 108 -34.522 -0.261 34.876 861 HB2 CYS 108 HB2 CYS 108 -35.488 2.008 36.673 862 HB3 CYS 108 HB3 CYS 108 -36.448 1.185 35.448 863 HG CYS 108 HG CYS 108 -36.482 -1.142 36.528 864 H TYR 109 H TYR 109 -35.191 0.955 33.036 865 HA TYR 109 HA TYR 109 -33.747 3.431 32.352 866 HB2 TYR 109 HB2 TYR 109 -35.980 1.880 31.001 867 HB3 TYR 109 HB3 TYR 109 -35.282 3.365 30.364 868 HD1 TYR 109 HD2 TYR 109 -32.900 3.504 29.690 869 HD2 TYR 109 HD1 TYR 109 -34.763 -0.240 30.746 870 HE1 TYR 109 HE2 TYR 109 -31.040 2.263 28.594 871 HE2 TYR 109 HE1 TYR 109 -32.903 -1.474 29.650 872 HH TYR 109 HH TYR 109 -30.887 -1.238 28.476 873 H ASN 110 H ASN 110 -35.155 5.299 31.610 874 HA ASN 110 HA ASN 110 -36.528 7.020 31.932 875 HB2 ASN 110 HB2 ASN 110 -38.183 5.300 31.325 876 HB3 ASN 110 HB3 ASN 110 -38.451 4.951 33.031 877 HD21 ASN 110 HD22 ASN 110 -40.682 5.417 32.580 878 HD22 ASN 110 HD21 ASN 110 -41.241 7.088 32.523 879 H CYS 111 H CYS 111 -36.984 5.174 34.985 880 HA CYS 111 HA CYS 111 -37.365 7.675 36.445 881 HB2 CYS 111 HB2 CYS 111 -38.129 6.288 38.233 882 HB3 CYS 111 HB3 CYS 111 -38.797 5.649 36.730 883 HG CYS 111 HG CYS 111 -36.950 3.773 36.424 884 H GLY 112 H GLY 112 -34.634 5.564 36.022 885 HA2 GLY 112 HA2 GLY 112 -32.469 5.703 36.832 886 HA3 GLY 112 HA3 GLY 112 -32.908 7.133 37.769 887 H GLY 113 H GLY 113 -35.162 4.970 38.754 888 HA2 GLY 113 HA2 GLY 113 -33.715 3.954 41.118 889 HA3 GLY 113 HA3 GLY 113 -35.421 3.744 40.731 890 H LYS 114 H LYS 114 -34.698 1.541 41.547 891 HA LYS 114 HA LYS 114 -34.119 -0.294 39.281 892 HB2 LYS 114 HB2 LYS 114 -31.950 0.097 40.241 893 HB3 LYS 114 HB3 LYS 114 -32.568 -0.029 41.873 894 HG2 LYS 114 HG2 LYS 114 -31.264 -1.942 41.409 895 HG3 LYS 114 HG3 LYS 114 -32.936 -2.452 41.584 896 HD2 LYS 114 HD2 LYS 114 -33.124 -2.709 39.107 897 HD3 LYS 114 HD3 LYS 114 -31.513 -2.011 38.918 898 HE2 LYS 114 HE2 LYS 114 -31.282 -4.380 38.716 899 HE3 LYS 114 HE3 LYS 114 -30.533 -3.870 40.219 900 HZ1 LYS 114 HZ1 LYS 114 -31.854 -5.854 40.549 901 HZ2 LYS 114 HZ2 LYS 114 -32.532 -4.649 41.398 902 HZ3 LYS 114 HZ3 LYS 114 -33.203 -5.148 39.984 903 H GLY 115 H GLY 115 -35.139 -2.256 39.428 904 HA2 GLY 115 HA2 GLY 115 -35.882 -4.164 40.509 905 HA3 GLY 115 HA3 GLY 115 -35.921 -3.302 42.039 906 H HIS 116 H HIS 116 -37.808 -1.849 39.448 907 HA HIS 116 HA HIS 116 -40.126 -3.563 40.026 908 HB2 HIS 116 HB2 HIS 116 -41.677 -1.840 40.490 909 HB3 HIS 116 HB3 HIS 116 -40.363 -1.708 41.648 910 HD1 HIS 116 HD1 HIS 116 -42.220 0.322 39.095 911 HD2 HIS 116 HD2 HIS 116 -38.509 0.378 41.066 912 HE1 HIS 116 HE1 HIS 116 -41.285 2.658 38.788 913 H PHE 117 H PHE 117 -41.272 -4.041 38.379 914 HA PHE 117 HA PHE 117 -41.840 -4.361 36.191 915 HB2 PHE 117 HB2 PHE 117 -42.856 -1.590 36.874 916 HB3 PHE 117 HB3 PHE 117 -43.510 -2.617 35.608 917 HD1 PHE 117 HD1 PHE 117 -44.326 -4.988 36.243 918 HD2 PHE 117 HD2 PHE 117 -43.776 -1.793 39.083 919 HE1 PHE 117 HE1 PHE 117 -45.839 -6.140 37.833 920 HE2 PHE 117 HE2 PHE 117 -45.292 -2.953 40.671 921 HZ PHE 117 HZ PHE 117 -46.322 -5.125 40.048 922 H GLY 118 H GLY 118 -39.089 -3.446 36.009 923 HA2 GLY 118 HA2 GLY 118 -38.496 -1.235 34.600 924 HA3 GLY 118 HA3 GLY 118 -37.569 -2.718 34.434 925 H ASP 119 H ASP 119 -39.668 -4.186 33.063 926 HA ASP 119 HA ASP 119 -39.167 -3.651 30.323 927 HB2 ASP 119 HB2 ASP 119 -39.806 -5.819 31.374 928 HB3 ASP 119 HB3 ASP 119 -41.414 -5.186 31.681 929 H ASP 120 H ASP 120 -41.901 -2.677 32.372 930 HA ASP 120 HA ASP 120 -43.260 -1.241 30.131 931 HB2 ASP 120 HB2 ASP 120 -44.498 -3.043 31.318 932 HB3 ASP 120 HB3 ASP 120 -44.293 -2.174 32.831 933 H CYS 121 H CYS 121 -41.599 -0.777 33.135 934 HA CYS 121 HA CYS 121 -42.423 1.913 33.747 935 HB2 CYS 121 HB2 CYS 121 -41.555 0.225 35.351 936 HB3 CYS 121 HB3 CYS 121 -39.978 0.278 34.556 937 HG CYS 121 HG CYS 121 -39.671 2.884 34.925 938 H LYS 122 H LYS 122 -40.100 0.578 31.504 939 HA LYS 122 HA LYS 122 -38.517 2.885 30.915 940 HB2 LYS 122 HB2 LYS 122 -38.009 0.575 30.194 941 HB3 LYS 122 HB3 LYS 122 -39.414 0.586 29.129 942 HG2 LYS 122 HG2 LYS 122 -38.406 2.283 27.707 943 HG3 LYS 122 HG3 LYS 122 -37.114 2.568 28.876 944 HD2 LYS 122 HD2 LYS 122 -36.259 1.274 27.025 945 HD3 LYS 122 HD3 LYS 122 -36.244 0.277 28.484 946 HE2 LYS 122 HE2 LYS 122 -38.326 -0.841 27.754 947 HE3 LYS 122 HE3 LYS 122 -38.405 0.200 26.338 948 HZ1 LYS 122 HZ1 LYS 122 -37.437 -1.952 25.804 949 HZ2 LYS 122 HZ2 LYS 122 -36.333 -0.783 25.557 950 HZ3 LYS 122 HZ3 LYS 122 -36.227 -1.741 26.878 951 H GLU 123 H GLU 123 -38.707 4.419 29.233 952 HA GLU 123 HA GLU 123 -41.279 5.651 29.262 953 HB2 GLU 123 HB2 GLU 123 -38.950 6.658 29.294 954 HB3 GLU 123 HB3 GLU 123 -38.894 6.458 27.554 955 HG2 GLU 123 HG2 GLU 123 -41.109 7.981 28.996 956 HG3 GLU 123 HG3 GLU 123 -39.572 8.728 28.638 957 H LYS 124 H LYS 124 -39.913 3.489 26.931 958 HA LYS 124 HA LYS 124 -42.225 3.859 25.083 959 HB2 LYS 124 HB2 LYS 124 -39.314 3.494 24.265 960 HB3 LYS 124 HB3 LYS 124 -40.703 3.408 23.181 961 HG2 LYS 124 HG2 LYS 124 -41.279 5.768 23.741 962 HG3 LYS 124 HG3 LYS 124 -39.831 5.857 24.770 963 HD2 LYS 124 HD2 LYS 124 -38.388 5.413 22.814 964 HD3 LYS 124 HD3 LYS 124 -39.815 5.221 21.794 965 HE2 LYS 124 HE2 LYS 124 -38.932 7.394 21.372 966 HE3 LYS 124 HE3 LYS 124 -40.456 7.575 22.229 967 HZ1 LYS 124 HZ1 LYS 124 -39.219 8.013 24.243 968 HZ2 LYS 124 HZ2 LYS 124 -37.780 7.770 23.514 969 HZ3 LYS 124 HZ3 LYS 124 -38.727 9.048 23.106 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -15.874 15.585 2.330 2 H2 LYS 1 H2 LYS 1 -16.032 13.957 2.406 3 H3 LYS 1 H3 LYS 1 -16.888 14.915 3.423 4 HA LYS 1 HA LYS 1 -18.160 15.833 1.615 5 HB2 LYS 1 HB2 LYS 1 -16.296 15.618 -0.050 6 HB3 LYS 1 HB3 LYS 1 -16.580 13.889 -0.120 7 HG2 LYS 1 HG2 LYS 1 -17.550 14.958 -2.031 8 HG3 LYS 1 HG3 LYS 1 -18.847 14.292 -1.049 9 HD2 LYS 1 HD2 LYS 1 -19.340 16.578 -0.162 10 HD3 LYS 1 HD3 LYS 1 -17.962 17.220 -1.082 11 HE2 LYS 1 HE2 LYS 1 -19.036 16.455 -3.189 12 HE3 LYS 1 HE3 LYS 1 -20.416 15.865 -2.272 13 HZ1 LYS 1 HZ1 LYS 1 -20.820 18.079 -3.183 14 HZ2 LYS 1 HZ2 LYS 1 -20.836 18.157 -1.556 15 HZ3 LYS 1 HZ3 LYS 1 -19.541 18.701 -2.393 16 H GLU 2 H GLU 2 -20.179 15.055 1.795 17 HA GLU 2 HA GLU 2 -21.916 13.712 2.336 18 HB2 GLU 2 HB2 GLU 2 -20.543 11.863 0.364 19 HB3 GLU 2 HB3 GLU 2 -22.221 11.729 0.902 20 HG2 GLU 2 HG2 GLU 2 -22.711 13.977 0.013 21 HG3 GLU 2 HG3 GLU 2 -21.067 14.116 -0.587 22 H ALA 3 H ALA 3 -20.075 13.616 4.384 23 HA ALA 3 HA ALA 3 -20.322 10.814 5.404 24 HB1 ALA 3 HB1 ALA 3 -18.014 11.307 4.711 25 HB2 ALA 3 HB2 ALA 3 -17.987 12.724 5.783 26 HB3 ALA 3 HB3 ALA 3 -18.136 11.091 6.464 27 H ALA 4 H ALA 4 -21.232 10.544 7.317 28 HA ALA 4 HA ALA 4 -22.134 12.697 9.021 29 HB1 ALA 4 HB1 ALA 4 -22.743 10.829 10.552 30 HB2 ALA 4 HB2 ALA 4 -23.388 10.640 8.911 31 HB3 ALA 4 HB3 ALA 4 -21.997 9.679 9.430 32 HA PRO 5 HA PRO 5 -18.590 11.513 11.981 33 HB2 PRO 5 HB2 PRO 5 -16.468 9.967 11.206 34 HB3 PRO 5 HB3 PRO 5 -18.009 9.295 11.811 35 HG2 PRO 5 HG2 PRO 5 -17.215 9.701 8.893 36 HG3 PRO 5 HG3 PRO 5 -17.826 8.204 9.678 37 HD2 PRO 5 HD2 PRO 5 -19.461 9.832 8.349 38 HD3 PRO 5 HD3 PRO 5 -19.976 9.131 9.917 39 H LYS 6 H LYS 6 -17.411 11.857 8.661 40 HA LYS 6 HA LYS 6 -15.918 13.134 7.582 41 HB2 LYS 6 HB2 LYS 6 -17.439 14.821 8.107 42 HB3 LYS 6 HB3 LYS 6 -16.795 15.093 9.706 43 HG2 LYS 6 HG2 LYS 6 -14.950 15.484 7.343 44 HG3 LYS 6 HG3 LYS 6 -16.246 16.645 7.572 45 HD2 LYS 6 HD2 LYS 6 -14.186 15.988 9.723 46 HD3 LYS 6 HD3 LYS 6 -14.111 17.345 8.598 47 HE2 LYS 6 HE2 LYS 6 -15.272 18.563 10.043 48 HE3 LYS 6 HE3 LYS 6 -16.678 17.607 9.621 49 HZ1 LYS 6 HZ1 LYS 6 -16.093 16.109 11.514 50 HZ2 LYS 6 HZ2 LYS 6 -14.833 17.089 11.871 51 HZ3 LYS 6 HZ3 LYS 6 -16.339 17.650 12.007 52 H CYS 7 H CYS 7 -14.934 13.453 11.006 53 HA CYS 7 HA CYS 7 -12.345 12.230 10.497 54 HB2 CYS 7 HB2 CYS 7 -12.103 14.688 9.791 55 HB3 CYS 7 HB3 CYS 7 -12.316 15.081 11.518 56 HG CYS 7 HG CYS 7 -10.213 12.905 10.222 57 H ASN 8 H ASN 8 -11.189 11.815 12.577 58 HA ASN 8 HA ASN 8 -12.996 11.400 14.802 59 HB2 ASN 8 HB2 ASN 8 -11.227 10.326 15.887 60 HB3 ASN 8 HB3 ASN 8 -10.995 9.913 14.195 61 HD21 ASN 8 HD22 ASN 8 -9.013 9.815 16.353 62 HD22 ASN 8 HD21 ASN 8 -7.735 10.902 15.812 63 H ASN 9 H ASN 9 -10.484 13.782 14.147 64 HA ASN 9 HA ASN 9 -11.629 15.711 16.056 65 HB2 ASN 9 HB2 ASN 9 -10.136 14.208 17.418 66 HB3 ASN 9 HB3 ASN 9 -8.789 14.614 16.358 67 HD21 ASN 9 HD22 ASN 9 -11.174 16.033 18.643 68 HD22 ASN 9 HD21 ASN 9 -10.132 17.376 19.097 69 H CYS 10 H CYS 10 -9.081 14.990 13.618 70 HA CYS 10 HA CYS 10 -7.991 17.567 13.476 71 HB2 CYS 10 HB2 CYS 10 -8.039 15.621 11.148 72 HB3 CYS 10 HB3 CYS 10 -6.774 16.757 11.609 73 HG CYS 10 HG CYS 10 -6.125 15.534 13.860 74 H SER 11 H SER 11 -10.785 16.310 11.852 75 HA SER 11 HA SER 11 -12.333 17.086 10.413 76 HB2 SER 11 HB2 SER 11 -11.876 19.332 12.343 77 HB3 SER 11 HB3 SER 11 -13.246 19.339 11.210 78 HG SER 11 HG SER 11 -13.335 18.114 13.346 79 H GLN 12 H GLN 12 -9.632 17.640 9.261 80 HA GLN 12 HA GLN 12 -10.676 19.376 7.051 81 HB2 GLN 12 HB2 GLN 12 -7.913 19.456 8.319 82 HB3 GLN 12 HB3 GLN 12 -8.366 20.309 6.838 83 HG2 GLN 12 HG2 GLN 12 -10.062 21.610 8.078 84 HG3 GLN 12 HG3 GLN 12 -9.597 20.813 9.582 85 HE21 GLN 12 HE22 GLN 12 -9.470 23.516 9.636 86 HE22 GLN 12 HE21 GLN 12 -7.791 24.041 9.558 87 H ARG 13 H ARG 13 -10.023 16.302 7.632 88 HA ARG 13 HA ARG 13 -8.539 15.687 5.114 89 HB2 ARG 13 HB2 ARG 13 -7.823 14.919 7.959 90 HB3 ARG 13 HB3 ARG 13 -7.149 14.091 6.544 91 HG2 ARG 13 HG2 ARG 13 -6.057 16.119 5.790 92 HG3 ARG 13 HG3 ARG 13 -6.832 17.079 7.061 93 HD2 ARG 13 HD2 ARG 13 -5.648 15.738 8.794 94 HD3 ARG 13 HD3 ARG 13 -4.869 14.802 7.527 95 HE ARG 13 HE ARG 13 -3.361 16.508 7.177 96 HH11 ARG 13 HH11 ARG 13 -5.984 17.901 9.058 97 HH12 ARG 13 HH12 ARG 13 -5.192 19.464 9.152 98 HH21 ARG 13 HH22 ARG 13 -2.408 18.496 7.363 99 HH22 ARG 13 HH21 ARG 13 -3.232 19.793 8.184 100 H GLY 14 H GLY 14 -8.699 13.514 4.405 101 HA2 GLY 14 HA2 GLY 14 -11.404 12.648 4.423 102 HA3 GLY 14 HA3 GLY 14 -10.061 11.856 3.604 103 H HIS 15 H HIS 15 -8.775 11.473 6.424 104 HA HIS 15 HA HIS 15 -9.962 8.913 7.047 105 HB2 HIS 15 HB2 HIS 15 -8.360 8.932 8.955 106 HB3 HIS 15 HB3 HIS 15 -7.683 9.050 7.348 107 HD1 HIS 15 HD1 HIS 15 -5.487 9.932 8.803 108 HD2 HIS 15 HD2 HIS 15 -8.815 12.479 8.528 109 HE1 HIS 15 HE1 HIS 15 -4.687 12.245 9.486 110 H LEU 16 H LEU 16 -12.086 9.112 7.516 111 HA LEU 16 HA LEU 16 -13.242 10.700 9.599 112 HB2 LEU 16 HB2 LEU 16 -15.155 9.255 9.387 113 HB3 LEU 16 HB3 LEU 16 -14.547 9.822 7.845 114 HG LEU 16 HG LEU 16 -13.385 7.485 7.644 115 HD11 LEU 16 HD11 LEU 16 -13.737 6.635 9.923 116 HD12 LEU 16 HD12 LEU 16 -15.496 6.933 9.793 117 HD13 LEU 16 HD13 LEU 16 -14.717 5.694 8.799 118 HD21 LEU 16 HD21 LEU 16 -16.420 7.694 7.537 119 HD22 LEU 16 HD22 LEU 16 -15.287 8.237 6.275 120 HD23 LEU 16 HD23 LEU 16 -15.395 6.523 6.677 121 H LYS 17 H LYS 17 -14.487 9.385 11.448 122 HA LYS 17 HA LYS 17 -12.860 9.276 13.555 123 HB2 LYS 17 HB2 LYS 17 -15.490 8.951 13.251 124 HB3 LYS 17 HB3 LYS 17 -15.130 7.285 13.628 125 HG2 LYS 17 HG2 LYS 17 -14.371 9.720 15.298 126 HG3 LYS 17 HG3 LYS 17 -15.775 8.713 15.580 127 HD2 LYS 17 HD2 LYS 17 -12.863 7.831 15.846 128 HD3 LYS 17 HD3 LYS 17 -13.934 8.249 17.161 129 HE2 LYS 17 HE2 LYS 17 -14.364 5.899 15.260 130 HE3 LYS 17 HE3 LYS 17 -13.636 5.806 16.852 131 HZ1 LYS 17 HZ1 LYS 17 -16.430 6.653 16.337 132 HZ2 LYS 17 HZ2 LYS 17 -15.959 5.234 16.981 133 HZ3 LYS 17 HZ3 LYS 17 -15.721 6.610 17.809 134 H LYS 18 H LYS 18 -13.953 6.136 12.272 135 HA LYS 18 HA LYS 18 -11.873 4.594 13.580 136 HB2 LYS 18 HB2 LYS 18 -12.875 2.695 12.448 137 HB3 LYS 18 HB3 LYS 18 -14.131 3.699 13.164 138 HG2 LYS 18 HG2 LYS 18 -14.796 4.585 11.046 139 HG3 LYS 18 HG3 LYS 18 -13.332 3.991 10.238 140 HD2 LYS 18 HD2 LYS 18 -14.127 1.632 10.677 141 HD3 LYS 18 HD3 LYS 18 -15.624 2.322 11.314 142 HE2 LYS 18 HE2 LYS 18 -16.073 1.729 9.055 143 HE3 LYS 18 HE3 LYS 18 -15.965 3.484 9.104 144 HZ1 LYS 18 HZ1 LYS 18 -14.749 2.565 7.211 145 HZ2 LYS 18 HZ2 LYS 18 -13.705 3.291 8.202 146 HZ3 LYS 18 HZ3 LYS 18 -13.789 1.670 8.190 147 H ASP 19 H ASP 19 -11.776 6.340 10.662 148 HA ASP 19 HA ASP 19 -9.756 4.610 9.366 149 HB2 ASP 19 HB2 ASP 19 -11.389 6.995 8.538 150 HB3 ASP 19 HB3 ASP 19 -9.867 6.673 7.729 151 H CYS 20 H CYS 20 -9.876 7.436 11.435 152 HA CYS 20 HA CYS 20 -6.994 7.877 11.366 153 HB2 CYS 20 HB2 CYS 20 -9.214 8.624 13.317 154 HB3 CYS 20 HB3 CYS 20 -7.510 8.987 13.619 155 HG CYS 20 HG CYS 20 -7.135 10.142 11.246 156 HA PRO 21 HA PRO 21 -5.866 4.469 13.988 157 HB2 PRO 21 HB2 PRO 21 -3.508 5.266 15.051 158 HB3 PRO 21 HB3 PRO 21 -3.712 5.018 13.292 159 HG2 PRO 21 HG2 PRO 21 -3.870 7.646 14.804 160 HG3 PRO 21 HG3 PRO 21 -2.916 7.274 13.333 161 HD2 PRO 21 HD2 PRO 21 -5.389 8.449 13.246 162 HD3 PRO 21 HD3 PRO 21 -4.821 7.340 11.966 163 H HIS 22 H HIS 22 -6.200 3.725 16.058 164 HA HIS 22 HA HIS 22 -6.206 5.480 18.384 165 HB2 HIS 22 HB2 HIS 22 -8.496 5.746 17.294 166 HB3 HIS 22 HB3 HIS 22 -8.779 4.041 17.618 167 HD1 HIS 22 HD1 HIS 22 -7.516 6.964 19.897 168 HD2 HIS 22 HD2 HIS 22 -10.405 3.926 19.659 169 HE1 HIS 22 HE1 HIS 22 -8.802 7.036 22.080 170 H ILE 23 H ILE 23 -6.783 4.158 20.395 171 HA ILE 23 HA ILE 23 -6.042 2.609 21.839 172 HB ILE 23 HB ILE 23 -6.908 0.457 19.908 173 HG12 ILE 23 HG12 ILE 23 -8.628 2.355 21.548 174 HG13 ILE 23 HG13 ILE 23 -8.682 2.067 19.807 175 HG21 ILE 23 HG21 ILE 23 -7.147 0.670 22.947 176 HG22 ILE 23 HG22 ILE 23 -7.455 -0.761 21.939 177 HG23 ILE 23 HG23 ILE 23 -5.814 -0.167 22.130 178 HD11 ILE 23 HD11 ILE 23 -9.618 0.174 21.980 179 HD12 ILE 23 HD12 ILE 23 -10.586 1.024 20.770 180 HD13 ILE 23 HD13 ILE 23 -9.481 -0.268 20.256 181 H ILE 24 H ILE 24 -4.001 3.686 20.901 182 HA ILE 24 HA ILE 24 -2.073 1.733 19.754 183 HB ILE 24 HB ILE 24 -1.475 4.662 20.127 184 HG12 ILE 24 HG12 ILE 24 -3.198 3.625 17.847 185 HG13 ILE 24 HG13 ILE 24 -3.664 4.790 19.092 186 HG21 ILE 24 HG21 ILE 24 -0.034 4.282 18.216 187 HG22 ILE 24 HG22 ILE 24 0.229 2.964 19.357 188 HG23 ILE 24 HG23 ILE 24 -0.764 2.694 17.911 189 HD11 ILE 24 HD11 ILE 24 -3.225 6.074 17.183 190 HD12 ILE 24 HD12 ILE 24 -1.846 6.331 18.261 191 HD13 ILE 24 HD13 ILE 24 -1.689 5.249 16.854 192 H CYS 25 H CYS 25 -0.624 0.741 21.193 193 HA CYS 25 HA CYS 25 -0.727 1.454 23.951 194 HB2 CYS 25 HB2 CYS 25 0.721 -0.290 24.400 195 HB3 CYS 25 HB3 CYS 25 -0.162 -0.833 22.980 196 HG CYS 25 HG CYS 25 2.393 -1.577 22.976 197 H SER 26 H SER 26 0.398 2.855 25.194 198 HA SER 26 HA SER 26 1.406 4.865 25.580 199 HB2 SER 26 HB2 SER 26 3.743 3.296 24.478 200 HB3 SER 26 HB3 SER 26 3.847 4.720 25.538 201 HG SER 26 HG SER 26 3.795 2.739 26.702 202 H TYR 27 H TYR 27 0.135 4.882 23.005 203 HA TYR 27 HA TYR 27 -0.084 5.951 21.092 204 HB2 TYR 27 HB2 TYR 27 0.212 7.831 22.932 205 HB3 TYR 27 HB3 TYR 27 1.597 8.267 21.952 206 HD1 TYR 27 HD2 TYR 27 -2.087 7.716 21.969 207 HD2 TYR 27 HD1 TYR 27 1.259 9.339 19.794 208 HE1 TYR 27 HE2 TYR 27 -3.659 8.838 20.405 209 HE2 TYR 27 HE1 TYR 27 -0.318 10.463 18.217 210 HH TYR 27 HH TYR 27 -3.811 10.212 18.527 211 H CYS 28 H CYS 28 2.092 4.070 21.116 212 HA CYS 28 HA CYS 28 4.340 5.042 19.623 213 HB2 CYS 28 HB2 CYS 28 3.257 2.246 20.149 214 HB3 CYS 28 HB3 CYS 28 4.790 2.571 19.348 215 HG CYS 28 HG CYS 28 3.748 3.232 22.361 216 H GLY 29 H GLY 29 4.003 5.904 17.600 217 HA2 GLY 29 HA2 GLY 29 3.789 5.782 15.269 218 HA3 GLY 29 HA3 GLY 29 3.638 4.042 15.458 219 H ALA 30 H ALA 30 2.110 3.933 13.800 220 HA ALA 30 HA ALA 30 -0.652 4.853 14.470 221 HB1 ALA 30 HB1 ALA 30 0.198 5.606 12.259 222 HB2 ALA 30 HB2 ALA 30 0.503 3.908 11.823 223 HB3 ALA 30 HB3 ALA 30 -1.157 4.462 12.104 224 H THR 31 H THR 31 -2.208 3.305 14.820 225 HA THR 31 HA THR 31 -1.462 0.869 15.883 226 HB THR 31 HB THR 31 -3.553 2.019 16.337 227 HG1 THR 31 HG1 THR 31 -4.646 0.150 16.606 228 HG21 THR 31 HG21 THR 31 -4.283 2.561 13.986 229 HG22 THR 31 HG22 THR 31 -4.640 0.837 13.746 230 HG23 THR 31 HG23 THR 31 -5.529 1.768 14.962 231 H ASP 32 H ASP 32 -2.121 1.388 12.454 232 HA ASP 32 HA ASP 32 -2.321 -1.485 11.884 233 HB2 ASP 32 HB2 ASP 32 -3.655 0.194 10.689 234 HB3 ASP 32 HB3 ASP 32 -2.184 0.909 10.036 235 H ASP 33 H ASP 33 0.268 0.972 11.605 236 HA ASP 33 HA ASP 33 2.025 -1.061 10.308 237 HB2 ASP 33 HB2 ASP 33 3.441 0.664 9.562 238 HB3 ASP 33 HB3 ASP 33 1.791 0.991 9.083 239 H HIS 34 H HIS 34 1.516 0.325 13.359 240 HA HIS 34 HA HIS 34 4.077 0.135 14.544 241 HB2 HIS 34 HB2 HIS 34 2.325 1.346 15.609 242 HB3 HIS 34 HB3 HIS 34 1.232 -0.040 15.573 243 HD1 HIS 34 HD1 HIS 34 1.436 -1.775 17.545 244 HD2 HIS 34 HD2 HIS 34 4.378 1.214 17.439 245 HE1 HIS 34 HE1 HIS 34 2.733 -1.981 19.724 246 H TYR 35 H TYR 35 5.289 -1.513 15.191 247 HA TYR 35 HA TYR 35 4.127 -4.057 16.016 248 HB2 TYR 35 HB2 TYR 35 4.613 -4.237 13.518 249 HB3 TYR 35 HB3 TYR 35 6.312 -4.019 13.903 250 HD1 TYR 35 HD1 TYR 35 3.435 -6.114 15.206 251 HD2 TYR 35 HD2 TYR 35 7.498 -6.022 13.765 252 HE1 TYR 35 HE1 TYR 35 3.592 -8.571 15.507 253 HE2 TYR 35 HE2 TYR 35 7.651 -8.495 14.074 254 HH TYR 35 HH TYR 35 4.979 -10.437 15.247 255 H SER 36 H SER 36 5.586 -5.271 17.364 256 HA SER 36 HA SER 36 6.634 -3.512 19.283 257 HB2 SER 36 HB2 SER 36 7.213 -5.611 20.484 258 HB3 SER 36 HB3 SER 36 5.587 -5.661 19.777 259 HG SER 36 HG SER 36 6.814 -7.522 19.253 260 H ARG 37 H ARG 37 8.418 -5.175 16.749 261 HA ARG 37 HA ARG 37 11.049 -4.788 17.923 262 HB2 ARG 37 HB2 ARG 37 11.927 -5.634 15.895 263 HB3 ARG 37 HB3 ARG 37 10.459 -6.542 16.233 264 HG2 ARG 37 HG2 ARG 37 9.262 -4.893 14.635 265 HG3 ARG 37 HG3 ARG 37 10.881 -4.338 14.182 266 HD2 ARG 37 HD2 ARG 37 11.479 -6.615 13.444 267 HD3 ARG 37 HD3 ARG 37 9.879 -7.200 13.943 268 HE ARG 37 HE ARG 37 9.792 -4.947 12.092 269 HH11 ARG 37 HH11 ARG 37 9.997 -8.451 12.085 270 HH12 ARG 37 HH12 ARG 37 9.265 -8.563 10.495 271 HH21 ARG 37 HH21 ARG 37 8.907 -5.144 10.134 272 HH22 ARG 37 HH22 ARG 37 8.673 -6.711 9.397 273 H HIS 38 H HIS 38 8.927 -2.647 16.296 274 HA HIS 38 HA HIS 38 11.074 -0.604 15.857 275 HB2 HIS 38 HB2 HIS 38 8.231 -0.670 14.783 276 HB3 HIS 38 HB3 HIS 38 9.509 0.454 14.337 277 HD1 HIS 38 HD1 HIS 38 11.800 -1.112 13.256 278 HD2 HIS 38 HD2 HIS 38 7.832 -2.450 12.957 279 HE1 HIS 38 HE1 HIS 38 11.754 -2.776 11.341 280 H CYS 39 H CYS 39 7.948 -1.188 17.372 281 HA CYS 39 HA CYS 39 6.670 -0.111 18.786 282 HB2 CYS 39 HB2 CYS 39 8.512 -1.368 19.943 283 HB3 CYS 39 HB3 CYS 39 9.139 0.154 20.509 284 HG CYS 39 HG CYS 39 7.592 -1.077 22.298 285 HA PRO 40 HA PRO 40 6.468 4.219 19.440 286 HB2 PRO 40 HB2 PRO 40 8.194 5.819 20.779 287 HB3 PRO 40 HB3 PRO 40 7.387 4.446 21.587 288 HG2 PRO 40 HG2 PRO 40 10.154 4.436 20.322 289 HG3 PRO 40 HG3 PRO 40 9.713 3.988 22.005 290 HD2 PRO 40 HD2 PRO 40 9.904 2.098 20.086 291 HD3 PRO 40 HD3 PRO 40 8.590 2.057 21.311 292 H LYS 41 H LYS 41 9.322 3.657 17.617 293 HA LYS 41 HA LYS 41 9.884 6.436 16.938 294 HB2 LYS 41 HB2 LYS 41 11.168 3.841 16.010 295 HB3 LYS 41 HB3 LYS 41 11.783 5.451 15.665 296 HG2 LYS 41 HG2 LYS 41 11.540 4.219 18.439 297 HG3 LYS 41 HG3 LYS 41 13.011 4.394 17.484 298 HD2 LYS 41 HD2 LYS 41 12.754 6.870 17.517 299 HD3 LYS 41 HD3 LYS 41 11.315 6.695 18.548 300 HE2 LYS 41 HE2 LYS 41 12.637 5.626 20.291 301 HE3 LYS 41 HE3 LYS 41 14.079 5.661 19.282 302 HZ1 LYS 41 HZ1 LYS 41 13.967 7.509 20.912 303 HZ2 LYS 41 HZ2 LYS 41 14.068 8.060 19.376 304 HZ3 LYS 41 HZ3 LYS 41 12.646 8.098 20.161 305 H ALA 42 H ALA 42 7.475 6.309 16.125 306 HA ALA 42 HA ALA 42 7.744 6.705 13.186 307 HB1 ALA 42 HB1 ALA 42 5.564 5.500 12.842 308 HB2 ALA 42 HB2 ALA 42 6.898 4.468 13.369 309 HB3 ALA 42 HB3 ALA 42 5.661 4.949 14.537 310 H ILE 43 H ILE 43 6.454 7.915 16.140 311 HA ILE 43 HA ILE 43 4.887 10.000 14.665 312 HB ILE 43 HB ILE 43 4.310 8.418 17.145 313 HG12 ILE 43 HG12 ILE 43 3.425 7.772 14.894 314 HG13 ILE 43 HG13 ILE 43 2.206 8.011 16.143 315 HG21 ILE 43 HG21 ILE 43 3.931 10.544 18.128 316 HG22 ILE 43 HG22 ILE 43 3.044 11.130 16.701 317 HG23 ILE 43 HG23 ILE 43 2.367 9.843 17.721 318 HD11 ILE 43 HD11 ILE 43 1.559 10.160 15.144 319 HD12 ILE 43 HD12 ILE 43 2.857 10.013 13.933 320 HD13 ILE 43 HD13 ILE 43 1.510 8.865 13.941 321 H GLN 44 H GLN 44 7.821 9.843 15.677 322 HA GLN 44 HA GLN 44 7.863 12.530 16.976 323 HB2 GLN 44 HB2 GLN 44 9.464 11.765 18.624 324 HB3 GLN 44 HB3 GLN 44 8.005 10.787 18.721 325 HG2 GLN 44 HG2 GLN 44 9.186 9.007 17.338 326 HG3 GLN 44 HG3 GLN 44 10.655 9.978 17.441 327 HE21 GLN 44 HE22 GLN 44 8.314 8.042 19.355 328 HE22 GLN 44 HE21 GLN 44 9.379 7.877 20.746 329 H CYS 45 H CYS 45 9.839 13.660 16.982 330 HA CYS 45 HA CYS 45 11.213 13.709 14.463 331 HB2 CYS 45 HB2 CYS 45 11.865 14.949 17.161 332 HB3 CYS 45 HB3 CYS 45 12.598 15.421 15.618 333 HG CYS 45 HG CYS 45 10.363 16.203 14.488 334 H SER 46 H SER 46 13.581 13.506 14.230 335 HA SER 46 HA SER 46 14.588 11.010 15.116 336 HB2 SER 46 HB2 SER 46 16.074 13.348 13.878 337 HB3 SER 46 HB3 SER 46 16.595 11.650 13.895 338 HG SER 46 HG SER 46 15.422 12.205 11.997 339 H LYS 47 H LYS 47 15.131 14.252 16.363 340 HA LYS 47 HA LYS 47 16.775 13.208 18.630 341 HB2 LYS 47 HB2 LYS 47 17.365 15.669 16.935 342 HB3 LYS 47 HB3 LYS 47 18.232 15.213 18.406 343 HG2 LYS 47 HG2 LYS 47 18.940 13.086 17.358 344 HG3 LYS 47 HG3 LYS 47 18.157 13.557 15.845 345 HD2 LYS 47 HD2 LYS 47 20.411 15.112 17.179 346 HD3 LYS 47 HD3 LYS 47 20.612 13.937 15.872 347 HE2 LYS 47 HE2 LYS 47 19.106 15.303 14.429 348 HE3 LYS 47 HE3 LYS 47 18.988 16.508 15.707 349 HZ1 LYS 47 HZ1 LYS 47 21.500 15.725 14.337 350 HZ2 LYS 47 HZ2 LYS 47 20.678 17.106 14.082 351 HZ3 LYS 47 HZ3 LYS 47 21.393 16.844 15.522 352 H CYS 48 H CYS 48 13.910 14.013 18.372 353 HA CYS 48 HA CYS 48 13.625 15.785 20.674 354 HB2 CYS 48 HB2 CYS 48 14.011 17.410 18.923 355 HB3 CYS 48 HB3 CYS 48 12.848 16.659 17.846 356 HG CYS 48 HG CYS 48 12.307 18.184 20.744 357 H ASP 49 H ASP 49 11.151 16.074 21.101 358 HA ASP 49 HA ASP 49 9.923 13.447 21.142 359 HB2 ASP 49 HB2 ASP 49 8.274 14.478 22.559 360 HB3 ASP 49 HB3 ASP 49 9.886 14.907 23.066 361 H GLU 50 H GLU 50 7.319 13.718 20.880 362 HA GLU 50 HA GLU 50 6.651 12.912 18.461 363 HB2 GLU 50 HB2 GLU 50 4.895 14.593 20.272 364 HB3 GLU 50 HB3 GLU 50 4.329 13.726 18.853 365 HG2 GLU 50 HG2 GLU 50 3.826 12.238 20.502 366 HG3 GLU 50 HG3 GLU 50 5.347 11.606 19.909 367 H VAL 51 H VAL 51 6.430 13.631 16.372 368 HA VAL 51 HA VAL 51 6.578 16.448 15.601 369 HB VAL 51 HB VAL 51 5.912 15.613 13.318 370 HG11 VAL 51 HG11 VAL 51 8.394 14.400 14.561 371 HG12 VAL 51 HG12 VAL 51 8.089 14.624 12.822 372 HG13 VAL 51 HG13 VAL 51 8.218 16.037 13.873 373 HG21 VAL 51 HG21 VAL 51 4.810 13.463 14.106 374 HG22 VAL 51 HG22 VAL 51 5.946 13.320 12.757 375 HG23 VAL 51 HG23 VAL 51 6.460 12.826 14.377 376 H GLY 52 H GLY 52 4.114 14.557 16.882 377 HA2 GLY 52 HA2 GLY 52 1.741 15.716 15.819 378 HA3 GLY 52 HA3 GLY 52 1.975 15.084 17.453 379 H HIS 53 H HIS 53 4.264 17.267 17.719 380 HA HIS 53 HA HIS 53 2.468 19.393 18.649 381 HB2 HIS 53 HB2 HIS 53 4.137 20.175 19.988 382 HB3 HIS 53 HB3 HIS 53 4.254 18.437 20.083 383 HD1 HIS 53 HD1 HIS 53 6.671 19.951 21.046 384 HD2 HIS 53 HD2 HIS 53 6.132 18.768 17.052 385 HE1 HIS 53 HE1 HIS 53 8.982 19.852 20.013 386 H TYR 54 H TYR 54 3.776 21.635 18.544 387 HA TYR 54 HA TYR 54 2.479 22.601 16.326 388 HB2 TYR 54 HB2 TYR 54 2.769 24.655 17.288 389 HB3 TYR 54 HB3 TYR 54 2.933 23.590 18.658 390 HD1 TYR 54 HD1 TYR 54 5.895 22.740 18.311 391 HD2 TYR 54 HD2 TYR 54 3.902 26.558 17.946 392 HE1 TYR 54 HE1 TYR 54 8.015 23.900 18.816 393 HE2 TYR 54 HE2 TYR 54 6.035 27.711 18.468 394 HH TYR 54 HH TYR 54 9.025 25.973 19.123 395 H ARG 55 H ARG 55 3.122 24.440 15.054 396 HA ARG 55 HA ARG 55 4.082 25.406 13.226 397 HB2 ARG 55 HB2 ARG 55 4.771 26.544 15.243 398 HB3 ARG 55 HB3 ARG 55 6.241 25.573 15.345 399 HG2 ARG 55 HG2 ARG 55 7.186 26.622 13.406 400 HG3 ARG 55 HG3 ARG 55 5.618 27.250 12.891 401 HD2 ARG 55 HD2 ARG 55 7.004 29.041 13.775 402 HD3 ARG 55 HD3 ARG 55 5.543 28.816 14.735 403 HE ARG 55 HE ARG 55 7.632 27.318 15.969 404 HH11 ARG 55 HH11 ARG 55 6.643 30.707 15.556 405 HH12 ARG 55 HH12 ARG 55 7.508 31.157 16.995 406 HH21 ARG 55 HH21 ARG 55 8.591 28.144 17.889 407 HH22 ARG 55 HH22 ARG 55 8.569 29.866 18.167 408 H SER 56 H SER 56 4.294 24.168 11.512 409 HA SER 56 HA SER 56 5.255 23.018 9.820 410 HB2 SER 56 HB2 SER 56 7.984 23.830 10.885 411 HB3 SER 56 HB3 SER 56 7.507 23.480 9.212 412 HG SER 56 HG SER 56 6.227 25.337 9.304 413 H GLN 57 H GLN 57 4.888 21.563 12.405 414 HA GLN 57 HA GLN 57 5.449 19.687 13.539 415 HB2 GLN 57 HB2 GLN 57 6.305 18.688 10.794 416 HB3 GLN 57 HB3 GLN 57 6.252 17.715 12.251 417 HG2 GLN 57 HG2 GLN 57 4.236 17.229 11.192 418 HG3 GLN 57 HG3 GLN 57 3.805 18.306 12.509 419 HE21 GLN 57 HE22 GLN 57 1.771 18.716 11.351 420 HE22 GLN 57 HE21 GLN 57 1.770 19.791 9.956 421 H CYS 58 H CYS 58 6.863 21.113 14.615 422 HA CYS 58 HA CYS 58 8.697 21.609 15.770 423 HB2 CYS 58 HB2 CYS 58 9.483 19.197 15.253 424 HB3 CYS 58 HB3 CYS 58 10.538 19.960 14.060 425 HG CYS 58 HG CYS 58 11.757 21.556 15.716 426 HA PRO 59 HA PRO 59 9.195 25.144 13.362 427 HB2 PRO 59 HB2 PRO 59 11.697 25.757 14.940 428 HB3 PRO 59 HB3 PRO 59 10.340 26.846 14.517 429 HG2 PRO 59 HG2 PRO 59 10.426 25.712 16.960 430 HG3 PRO 59 HG3 PRO 59 8.876 25.727 16.052 431 HD2 PRO 59 HD2 PRO 59 10.853 23.466 16.362 432 HD3 PRO 59 HD3 PRO 59 9.064 23.447 16.465 433 H HIS 60 H HIS 60 10.045 26.034 11.561 434 HA HIS 60 HA HIS 60 11.843 24.460 9.994 435 HB2 HIS 60 HB2 HIS 60 11.492 26.402 8.344 436 HB3 HIS 60 HB3 HIS 60 10.119 25.428 8.825 437 HD1 HIS 60 HD1 HIS 60 8.081 26.684 9.771 438 HD2 HIS 60 HD2 HIS 60 11.595 28.962 9.740 439 HE1 HIS 60 HE1 HIS 60 7.396 29.013 10.447 440 H LYS 61 H LYS 61 13.931 24.551 9.670 441 HA LYS 61 HA LYS 61 15.573 26.801 10.716 442 HB2 LYS 61 HB2 LYS 61 17.418 25.289 10.793 443 HB3 LYS 61 HB3 LYS 61 16.060 24.628 11.686 444 HG2 LYS 61 HG2 LYS 61 15.549 23.017 9.984 445 HG3 LYS 61 HG3 LYS 61 16.616 23.770 8.809 446 HD2 LYS 61 HD2 LYS 61 17.452 22.324 11.351 447 HD3 LYS 61 HD3 LYS 61 17.604 21.720 9.707 448 HE2 LYS 61 HE2 LYS 61 19.109 24.058 10.945 449 HE3 LYS 61 HE3 LYS 61 19.760 22.483 10.536 450 HZ1 LYS 61 HZ1 LYS 61 20.315 24.088 8.835 451 HZ2 LYS 61 HZ2 LYS 61 19.305 22.986 8.184 452 HZ3 LYS 61 HZ3 LYS 61 18.756 24.477 8.584 453 H TRP 62 H TRP 62 14.168 27.101 8.296 454 HA TRP 62 HA TRP 62 16.121 26.786 6.097 455 HB2 TRP 62 HB2 TRP 62 13.902 25.729 6.027 456 HB3 TRP 62 HB3 TRP 62 13.136 27.300 6.160 457 HD1 TRP 62 HD1 TRP 62 12.018 27.766 3.997 458 HE1 TRP 62 HE1 TRP 62 12.558 27.628 1.502 459 HE3 TRP 62 HE3 TRP 62 16.629 25.537 4.277 460 HZ2 TRP 62 HZ2 TRP 62 14.690 26.686 -0.166 461 HZ3 TRP 62 HZ3 TRP 62 17.881 25.033 2.199 462 HH2 TRP 62 HH2 TRP 62 16.930 25.598 -0.018 463 H LYS 63 H LYS 63 15.936 29.161 8.143 464 HA LYS 63 HA LYS 63 16.095 31.433 8.226 465 HB2 LYS 63 HB2 LYS 63 17.399 31.148 5.500 466 HB3 LYS 63 HB3 LYS 63 17.552 32.513 6.606 467 HG2 LYS 63 HG2 LYS 63 18.629 31.054 8.291 468 HG3 LYS 63 HG3 LYS 63 18.509 29.677 7.182 469 HD2 LYS 63 HD2 LYS 63 19.900 30.888 5.522 470 HD3 LYS 63 HD3 LYS 63 20.052 32.252 6.649 471 HE2 LYS 63 HE2 LYS 63 21.116 30.750 8.311 472 HE3 LYS 63 HE3 LYS 63 20.956 29.395 7.200 473 HZ1 LYS 63 HZ1 LYS 63 22.582 31.825 6.695 474 HZ2 LYS 63 HZ2 LYS 63 23.169 30.357 7.085 475 HZ3 LYS 63 HZ3 LYS 63 22.425 30.574 5.655 476 H LYS 64 H LYS 64 13.623 30.486 7.401 477 HA LYS 64 HA LYS 64 12.490 32.006 5.217 478 HB2 LYS 64 HB2 LYS 64 11.786 29.721 6.222 479 HB3 LYS 64 HB3 LYS 64 11.016 30.637 7.503 480 HG2 LYS 64 HG2 LYS 64 9.416 29.924 5.860 481 HG3 LYS 64 HG3 LYS 64 9.498 31.684 5.834 482 HD2 LYS 64 HD2 LYS 64 10.654 31.693 3.724 483 HD3 LYS 64 HD3 LYS 64 11.154 30.012 3.906 484 HE2 LYS 64 HE2 LYS 64 9.438 30.069 2.256 485 HE3 LYS 64 HE3 LYS 64 8.804 29.263 3.684 486 HZ1 LYS 64 HZ1 LYS 64 7.205 30.831 2.798 487 HZ2 LYS 64 HZ2 LYS 64 7.695 31.402 4.255 488 HZ3 LYS 64 HZ3 LYS 64 8.279 32.044 2.864 489 H VAL 65 H VAL 65 10.794 33.627 5.378 490 HA VAL 65 HA VAL 65 11.394 35.779 7.136 491 HB VAL 65 HB VAL 65 10.407 36.193 5.018 492 HG11 VAL 65 HG11 VAL 65 8.909 34.257 4.729 493 HG12 VAL 65 HG12 VAL 65 7.828 34.900 5.991 494 HG13 VAL 65 HG13 VAL 65 8.055 35.786 4.475 495 HG21 VAL 65 HG21 VAL 65 8.903 37.906 5.577 496 HG22 VAL 65 HG22 VAL 65 8.342 37.086 7.049 497 HG23 VAL 65 HG23 VAL 65 9.988 37.766 6.964 498 H GLN 66 H GLN 66 10.837 36.305 9.124 499 HA GLN 66 HA GLN 66 9.269 34.397 10.694 500 HB2 GLN 66 HB2 GLN 66 10.190 35.506 12.625 501 HB3 GLN 66 HB3 GLN 66 11.451 35.110 11.462 502 HG2 GLN 66 HG2 GLN 66 11.479 37.494 10.699 503 HG3 GLN 66 HG3 GLN 66 10.228 37.876 11.884 504 HE21 GLN 66 HE21 GLN 66 12.278 39.453 12.241 505 HE22 GLN 66 HE22 GLN 66 13.346 38.885 13.523 506 H CYS 67 H CYS 67 8.489 37.308 9.133 507 HA CYS 67 HA CYS 67 6.322 38.059 10.962 508 HB2 CYS 67 HB2 CYS 67 6.975 39.086 8.178 509 HB3 CYS 67 HB3 CYS 67 5.891 39.832 9.361 510 HG CYS 67 HG CYS 67 7.691 40.258 11.189 511 H THR 68 H THR 68 4.133 37.949 10.515 512 HA THR 68 HA THR 68 3.199 35.659 8.981 513 HB THR 68 HB THR 68 2.261 36.179 11.148 514 HG1 THR 68 HG1 THR 68 0.787 35.260 9.852 515 HG21 THR 68 HG21 THR 68 0.968 38.665 9.977 516 HG22 THR 68 HG22 THR 68 0.872 38.057 11.634 517 HG23 THR 68 HG23 THR 68 2.399 38.734 11.041 518 H LEU 69 H LEU 69 3.060 39.164 8.534 519 HA LEU 69 HA LEU 69 1.218 38.924 6.269 520 HB2 LEU 69 HB2 LEU 69 0.784 41.168 6.522 521 HB3 LEU 69 HB3 LEU 69 0.972 40.575 8.158 522 HG LEU 69 HG LEU 69 2.998 42.216 6.559 523 HD11 LEU 69 HD11 LEU 69 1.026 43.464 7.363 524 HD12 LEU 69 HD12 LEU 69 1.337 42.895 9.019 525 HD13 LEU 69 HD13 LEU 69 2.502 43.962 8.204 526 HD21 LEU 69 HD21 LEU 69 4.255 42.410 8.697 527 HD22 LEU 69 HD22 LEU 69 3.193 41.189 9.426 528 HD23 LEU 69 HD23 LEU 69 4.274 40.772 8.057 529 H CYS 70 H CYS 70 4.565 38.870 6.480 530 HA CYS 70 HA CYS 70 5.073 40.400 4.009 531 HB2 CYS 70 HB2 CYS 70 6.916 38.919 5.914 532 HB3 CYS 70 HB3 CYS 70 7.445 39.870 4.519 533 HG CYS 70 HG CYS 70 6.378 42.126 5.270 534 H LYS 71 H LYS 71 5.917 39.584 2.127 535 HA LYS 71 HA LYS 71 5.593 36.711 1.488 536 HB2 LYS 71 HB2 LYS 71 6.573 39.072 -0.177 537 HB3 LYS 71 HB3 LYS 71 6.324 37.444 -0.788 538 HG2 LYS 71 HG2 LYS 71 4.140 39.274 0.300 539 HG3 LYS 71 HG3 LYS 71 4.491 38.946 -1.394 540 HD2 LYS 71 HD2 LYS 71 3.971 36.528 -1.023 541 HD3 LYS 71 HD3 LYS 71 3.509 36.907 0.652 542 HE2 LYS 71 HE2 LYS 71 1.785 38.466 -0.162 543 HE3 LYS 71 HE3 LYS 71 2.254 38.146 -1.827 544 HZ1 LYS 71 HZ1 LYS 71 1.582 35.828 -1.508 545 HZ2 LYS 71 HZ2 LYS 71 1.140 36.125 0.039 546 HZ3 LYS 71 HZ3 LYS 71 0.332 36.823 -1.192 547 H SER 72 H SER 72 7.467 35.674 0.277 548 HA SER 72 HA SER 72 9.866 35.763 1.995 549 HB2 SER 72 HB2 SER 72 9.196 33.881 -0.280 550 HB3 SER 72 HB3 SER 72 10.620 33.758 0.780 551 HG SER 72 HG SER 72 7.936 33.613 1.528 552 H LYS 73 H LYS 73 9.388 38.044 0.246 553 HA LYS 73 HA LYS 73 12.008 38.320 -0.994 554 HB2 LYS 73 HB2 LYS 73 10.231 37.329 -2.717 555 HB3 LYS 73 HB3 LYS 73 9.569 38.943 -2.707 556 HG2 LYS 73 HG2 LYS 73 11.045 38.613 -4.604 557 HG3 LYS 73 HG3 LYS 73 11.700 39.858 -3.557 558 HD2 LYS 73 HD2 LYS 73 13.437 38.355 -4.456 559 HD3 LYS 73 HD3 LYS 73 13.400 38.303 -2.695 560 HE2 LYS 73 HE2 LYS 73 12.080 36.192 -2.795 561 HE3 LYS 73 HE3 LYS 73 12.103 36.262 -4.554 562 HZ1 LYS 73 HZ1 LYS 73 14.528 36.053 -4.463 563 HZ2 LYS 73 HZ2 LYS 73 14.503 35.996 -2.827 564 HZ3 LYS 73 HZ3 LYS 73 13.828 34.797 -3.698 565 H LYS 74 H LYS 74 12.368 40.619 -1.641 566 HA LYS 74 HA LYS 74 12.591 42.787 -0.962 567 HB2 LYS 74 HB2 LYS 74 9.558 42.780 -0.879 568 HB3 LYS 74 HB3 LYS 74 10.606 44.195 -0.980 569 HG2 LYS 74 HG2 LYS 74 11.506 43.358 -3.156 570 HG3 LYS 74 HG3 LYS 74 10.339 42.031 -3.109 571 HD2 LYS 74 HD2 LYS 74 9.642 44.999 -3.136 572 HD3 LYS 74 HD3 LYS 74 9.598 43.916 -4.533 573 HE2 LYS 74 HE2 LYS 74 7.894 42.512 -3.389 574 HE3 LYS 74 HE3 LYS 74 7.912 43.612 -2.014 575 HZ1 LYS 74 HZ1 LYS 74 7.098 44.349 -4.770 576 HZ2 LYS 74 HZ2 LYS 74 6.092 44.133 -3.508 577 HZ3 LYS 74 HZ3 LYS 74 7.137 45.381 -3.502 578 H HIS 75 H HIS 75 13.049 41.017 1.041 579 HA HIS 75 HA HIS 75 12.023 42.345 3.519 580 HB2 HIS 75 HB2 HIS 75 11.287 39.930 2.908 581 HB3 HIS 75 HB3 HIS 75 12.931 39.466 3.338 582 HD1 HIS 75 HD1 HIS 75 13.467 39.525 6.012 583 HD2 HIS 75 HD2 HIS 75 9.682 40.923 4.840 584 HE1 HIS 75 HE1 HIS 75 12.135 39.871 8.150 585 H SER 76 H SER 76 13.519 42.312 5.394 586 HA SER 76 HA SER 76 16.381 41.845 4.877 587 HB2 SER 76 HB2 SER 76 16.952 44.200 5.618 588 HB3 SER 76 HB3 SER 76 16.185 44.085 4.023 589 HG SER 76 HG SER 76 15.069 45.600 5.063 590 H LYS 77 H LYS 77 17.723 42.080 6.746 591 HA LYS 77 HA LYS 77 16.554 40.823 9.043 592 HB2 LYS 77 HB2 LYS 77 19.039 40.799 7.944 593 HB3 LYS 77 HB3 LYS 77 19.313 41.979 9.226 594 HG2 LYS 77 HG2 LYS 77 18.092 40.100 10.718 595 HG3 LYS 77 HG3 LYS 77 18.530 39.063 9.364 596 HD2 LYS 77 HD2 LYS 77 20.950 39.829 9.701 597 HD3 LYS 77 HD3 LYS 77 20.389 40.667 11.166 598 HE2 LYS 77 HE2 LYS 77 19.321 38.386 11.810 599 HE3 LYS 77 HE3 LYS 77 20.318 37.689 10.536 600 HZ1 LYS 77 HZ1 LYS 77 22.271 38.654 11.799 601 HZ2 LYS 77 HZ2 LYS 77 21.224 39.033 12.998 602 HZ3 LYS 77 HZ3 LYS 77 21.460 37.489 12.602 603 H GLU 78 H GLU 78 17.265 41.565 11.323 604 HA GLU 78 HA GLU 78 16.600 42.828 13.075 605 HB2 GLU 78 HB2 GLU 78 17.605 45.201 11.476 606 HB3 GLU 78 HB3 GLU 78 17.281 45.152 13.211 607 HG2 GLU 78 HG2 GLU 78 18.998 43.359 13.464 608 HG3 GLU 78 HG3 GLU 78 19.386 43.509 11.757 609 H ARG 79 H ARG 79 14.609 42.046 11.403 610 HA ARG 79 HA ARG 79 12.418 42.226 10.907 611 HB2 ARG 79 HB2 ARG 79 12.642 42.710 13.474 612 HB3 ARG 79 HB3 ARG 79 12.054 44.301 13.066 613 HG2 ARG 79 HG2 ARG 79 10.676 41.622 12.537 614 HG3 ARG 79 HG3 ARG 79 10.302 42.735 13.844 615 HD2 ARG 79 HD2 ARG 79 9.838 43.205 10.885 616 HD3 ARG 79 HD3 ARG 79 8.610 42.878 12.094 617 HE ARG 79 HE ARG 79 10.123 45.373 11.661 618 HH11 ARG 79 HH12 ARG 79 7.837 43.805 13.814 619 HH12 ARG 79 HH11 ARG 79 7.350 45.324 14.542 620 HH21 ARG 79 HH21 ARG 79 9.439 47.253 12.584 621 HH22 ARG 79 HH22 ARG 79 8.248 47.236 13.859 622 H CYS 80 H CYS 80 13.548 43.222 8.997 623 HA CYS 80 HA CYS 80 13.588 44.638 7.279 624 HB2 CYS 80 HB2 CYS 80 11.378 44.702 6.197 625 HB3 CYS 80 HB3 CYS 80 11.790 43.133 6.891 626 HG CYS 80 HG CYS 80 9.904 45.484 8.223 627 HA PRO 81 HA PRO 81 12.736 48.815 9.183 628 HB2 PRO 81 HB2 PRO 81 15.220 49.671 9.818 629 HB3 PRO 81 HB3 PRO 81 14.351 48.496 10.851 630 HG2 PRO 81 HG2 PRO 81 16.456 47.919 8.737 631 HG3 PRO 81 HG3 PRO 81 16.382 47.304 10.416 632 HD2 PRO 81 HD2 PRO 81 15.426 45.898 8.243 633 HD3 PRO 81 HD3 PRO 81 14.724 45.765 9.885 634 H SER 82 H SER 82 15.007 47.713 6.733 635 HA SER 82 HA SER 82 14.953 50.345 5.320 636 HB2 SER 82 HB2 SER 82 16.979 50.175 6.692 637 HB3 SER 82 HB3 SER 82 17.395 48.643 5.901 638 HG SER 82 HG SER 82 18.305 50.594 4.949 639 H ILE 83 H ILE 83 15.511 50.311 3.147 640 HA ILE 83 HA ILE 83 14.596 48.019 1.603 641 HB ILE 83 HB ILE 83 14.039 50.406 1.133 642 HG12 ILE 83 HG12 ILE 83 15.380 49.037 -1.225 643 HG13 ILE 83 HG13 ILE 83 13.837 48.537 -0.527 644 HG21 ILE 83 HG21 ILE 83 15.591 51.902 0.038 645 HG22 ILE 83 HG22 ILE 83 16.341 51.371 1.539 646 HG23 ILE 83 HG23 ILE 83 16.854 50.663 -0.006 647 HD11 ILE 83 HD11 ILE 83 13.428 49.918 -2.473 648 HD12 ILE 83 HD12 ILE 83 12.888 50.786 -1.025 649 HD13 ILE 83 HD13 ILE 83 14.418 51.234 -1.821 650 H TRP 84 H TRP 84 17.697 49.136 2.697 651 HA TRP 84 HA TRP 84 19.363 48.339 0.565 652 HB2 TRP 84 HB2 TRP 84 19.964 48.435 3.537 653 HB3 TRP 84 HB3 TRP 84 21.169 48.329 2.268 654 HD1 TRP 84 HD1 TRP 84 19.493 50.663 0.486 655 HE1 TRP 84 HE1 TRP 84 19.974 53.091 1.091 656 HE3 TRP 84 HE3 TRP 84 21.453 49.963 5.163 657 HZ2 TRP 84 HZ2 TRP 84 21.087 54.566 3.293 658 HZ3 TRP 84 HZ3 TRP 84 22.231 51.916 6.485 659 HH2 TRP 84 HH2 TRP 84 22.054 54.210 5.565 660 H ARG 85 H ARG 85 20.655 46.603 0.155 661 HA ARG 85 HA ARG 85 19.712 43.958 1.142 662 HB2 ARG 85 HB2 ARG 85 21.516 44.476 -1.236 663 HB3 ARG 85 HB3 ARG 85 20.583 43.039 -0.870 664 HG2 ARG 85 HG2 ARG 85 19.602 45.701 -1.931 665 HG3 ARG 85 HG3 ARG 85 19.508 44.115 -2.684 666 HD2 ARG 85 HD2 ARG 85 17.912 45.126 -0.313 667 HD3 ARG 85 HD3 ARG 85 17.311 44.805 -1.936 668 HE ARG 85 HE ARG 85 18.123 42.349 -1.393 669 HH11 ARG 85 HH11 ARG 85 16.500 44.532 0.853 670 HH12 ARG 85 HH12 ARG 85 15.815 43.171 1.739 671 HH21 ARG 85 HH21 ARG 85 17.274 40.718 -0.101 672 HH22 ARG 85 HH22 ARG 85 16.301 41.177 1.282 673 H ALA 86 H ALA 86 22.057 46.013 2.043 674 HA ALA 86 HA ALA 86 24.337 44.167 2.051 675 HB1 ALA 86 HB1 ALA 86 24.107 47.102 2.804 676 HB2 ALA 86 HB2 ALA 86 25.612 46.190 2.563 677 HB3 ALA 86 HB3 ALA 86 24.523 46.467 1.196 678 H TYR 87 H TYR 87 21.932 44.157 4.162 679 HA TYR 87 HA TYR 87 23.118 44.622 6.716 680 HB2 TYR 87 HB2 TYR 87 21.210 43.223 7.554 681 HB3 TYR 87 HB3 TYR 87 20.784 44.612 6.575 682 HD1 TYR 87 HD1 TYR 87 21.142 40.886 6.456 683 HD2 TYR 87 HD2 TYR 87 19.511 44.412 4.585 684 HE1 TYR 87 HE1 TYR 87 19.798 39.457 4.935 685 HE2 TYR 87 HE2 TYR 87 18.196 42.977 3.037 686 HH TYR 87 HH TYR 87 18.277 39.462 3.171 687 H ILE 88 H ILE 88 23.812 43.193 8.333 688 HA ILE 88 HA ILE 88 25.832 41.451 7.342 689 HB ILE 88 HB ILE 88 26.457 41.079 9.663 690 HG12 ILE 88 HG12 ILE 88 23.968 42.680 10.408 691 HG13 ILE 88 HG13 ILE 88 24.222 40.958 10.707 692 HG21 ILE 88 HG21 ILE 88 25.820 44.013 9.160 693 HG22 ILE 88 HG22 ILE 88 27.153 43.338 10.117 694 HG23 ILE 88 HG23 ILE 88 27.133 43.117 8.371 695 HD11 ILE 88 HD11 ILE 88 26.196 41.548 12.155 696 HD12 ILE 88 HD12 ILE 88 25.747 43.262 11.974 697 HD13 ILE 88 HD13 ILE 88 24.629 42.132 12.753 698 H LEU 89 H LEU 89 26.289 39.306 7.640 699 HA LEU 89 HA LEU 89 23.907 37.525 7.709 700 HB2 LEU 89 HB2 LEU 89 26.631 37.110 6.440 701 HB3 LEU 89 HB3 LEU 89 25.248 36.029 6.311 702 HG LEU 89 HG LEU 89 25.424 38.851 5.171 703 HD11 LEU 89 HD11 LEU 89 25.304 36.126 3.818 704 HD12 LEU 89 HD12 LEU 89 25.366 37.706 3.007 705 HD13 LEU 89 HD13 LEU 89 26.748 37.151 3.965 706 HD21 LEU 89 HD21 LEU 89 23.156 36.815 5.012 707 HD22 LEU 89 HD22 LEU 89 23.096 38.410 5.805 708 HD23 LEU 89 HD23 LEU 89 23.269 38.310 4.053 709 H VAL 90 H VAL 90 25.739 38.444 10.035 710 HA VAL 90 HA VAL 90 26.261 35.747 11.221 711 HB VAL 90 HB VAL 90 27.672 36.864 12.869 712 HG11 VAL 90 HG11 VAL 90 28.656 35.881 10.827 713 HG12 VAL 90 HG12 VAL 90 28.542 37.456 10.013 714 HG13 VAL 90 HG13 VAL 90 29.592 37.258 11.430 715 HG21 VAL 90 HG21 VAL 90 27.383 39.386 11.173 716 HG22 VAL 90 HG22 VAL 90 26.707 39.151 12.804 717 HG23 VAL 90 HG23 VAL 90 28.457 39.154 12.565 718 H ASP 91 H ASP 91 25.710 35.446 13.480 719 HA ASP 91 HA ASP 91 23.001 36.398 13.997 720 HB2 ASP 91 HB2 ASP 91 24.798 34.451 15.459 721 HB3 ASP 91 HB3 ASP 91 23.160 34.848 15.961 722 H ASP 92 H ASP 92 22.226 37.522 15.691 723 HA ASP 92 HA ASP 92 24.111 39.236 17.231 724 HB2 ASP 92 HB2 ASP 92 22.293 40.917 17.199 725 HB3 ASP 92 HB3 ASP 92 22.937 40.505 15.625 726 H ASN 93 H ASN 93 22.713 36.561 17.876 727 HA ASN 93 HA ASN 93 21.962 35.432 19.622 728 HB2 ASN 93 HB2 ASN 93 23.267 35.648 21.592 729 HB3 ASN 93 HB3 ASN 93 24.257 35.991 20.184 730 HD21 ASN 93 HD22 ASN 93 22.309 37.715 22.678 731 HD22 ASN 93 HD21 ASN 93 23.442 39.057 22.832 732 H GLU 94 H GLU 94 20.054 37.735 19.061 733 HA GLU 94 HA GLU 94 18.556 37.633 21.636 734 HB2 GLU 94 HB2 GLU 94 17.941 39.032 19.018 735 HB3 GLU 94 HB3 GLU 94 16.863 38.996 20.407 736 HG2 GLU 94 HG2 GLU 94 19.655 40.211 20.364 737 HG3 GLU 94 HG3 GLU 94 18.143 41.090 20.298 738 H LYS 95 H LYS 95 16.529 36.676 21.829 739 HA LYS 95 HA LYS 95 15.876 34.459 19.933 740 HB2 LYS 95 HB2 LYS 95 16.440 34.247 22.929 741 HB3 LYS 95 HB3 LYS 95 15.793 32.935 21.960 742 HG2 LYS 95 HG2 LYS 95 18.537 34.186 21.559 743 HG3 LYS 95 HG3 LYS 95 18.181 32.676 22.391 744 HD2 LYS 95 HD2 LYS 95 17.245 31.709 20.313 745 HD3 LYS 95 HD3 LYS 95 17.612 33.208 19.436 746 HE2 LYS 95 HE2 LYS 95 20.012 32.935 19.986 747 HE3 LYS 95 HE3 LYS 95 19.650 31.438 20.837 748 HZ1 LYS 95 HZ1 LYS 95 20.387 30.995 18.575 749 HZ2 LYS 95 HZ2 LYS 95 18.839 30.514 18.732 750 HZ3 LYS 95 HZ3 LYS 95 19.190 31.900 17.942 751 H ALA 96 H ALA 96 14.051 33.155 21.020 752 HA ALA 96 HA ALA 96 11.894 32.863 21.269 753 HB1 ALA 96 HB1 ALA 96 10.504 34.199 22.675 754 HB2 ALA 96 HB2 ALA 96 12.111 34.045 23.407 755 HB3 ALA 96 HB3 ALA 96 11.636 35.560 22.604 756 H LYS 97 H LYS 97 10.233 32.816 20.031 757 HA LYS 97 HA LYS 97 9.441 34.978 18.156 758 HB2 LYS 97 HB2 LYS 97 11.197 33.714 16.989 759 HB3 LYS 97 HB3 LYS 97 10.376 32.201 17.335 760 HG2 LYS 97 HG2 LYS 97 8.411 33.040 15.937 761 HG3 LYS 97 HG3 LYS 97 9.404 34.440 15.505 762 HD2 LYS 97 HD2 LYS 97 11.087 32.981 14.485 763 HD3 LYS 97 HD3 LYS 97 10.238 31.537 15.063 764 HE2 LYS 97 HE2 LYS 97 8.278 32.123 13.675 765 HE3 LYS 97 HE3 LYS 97 9.120 33.543 13.070 766 HZ1 LYS 97 HZ1 LYS 97 10.800 32.055 12.101 767 HZ2 LYS 97 HZ2 LYS 97 10.041 30.738 12.693 768 HZ3 LYS 97 HZ3 LYS 97 9.328 31.624 11.550 769 HA PRO 98 HA PRO 98 5.852 32.628 19.807 770 HB2 PRO 98 HB2 PRO 98 4.141 34.664 20.327 771 HB3 PRO 98 HB3 PRO 98 5.564 34.322 21.353 772 HG2 PRO 98 HG2 PRO 98 5.324 36.379 19.137 773 HG3 PRO 98 HG3 PRO 98 5.951 36.611 20.801 774 HD2 PRO 98 HD2 PRO 98 7.582 36.143 18.641 775 HD3 PRO 98 HD3 PRO 98 7.978 35.560 20.284 776 H LYS 99 H LYS 99 6.121 34.603 16.970 777 HA LYS 99 HA LYS 99 3.402 34.280 16.019 778 HB2 LYS 99 HB2 LYS 99 5.907 35.253 14.600 779 HB3 LYS 99 HB3 LYS 99 4.276 35.299 13.927 780 HG2 LYS 99 HG2 LYS 99 3.532 36.709 15.851 781 HG3 LYS 99 HG3 LYS 99 5.206 36.759 16.434 782 HD2 LYS 99 HD2 LYS 99 5.913 37.761 14.268 783 HD3 LYS 99 HD3 LYS 99 4.232 37.794 13.728 784 HE2 LYS 99 HE2 LYS 99 5.305 39.209 16.208 785 HE3 LYS 99 HE3 LYS 99 5.125 39.971 14.637 786 HZ1 LYS 99 HZ1 LYS 99 2.889 38.864 16.242 787 HZ2 LYS 99 HZ2 LYS 99 3.222 40.441 16.027 788 HZ3 LYS 99 HZ3 LYS 99 2.729 39.545 14.762 789 H VAL 100 H VAL 100 2.665 33.251 14.162 790 HA VAL 100 HA VAL 100 4.107 30.810 13.272 791 HB VAL 100 HB VAL 100 2.769 30.289 15.287 792 HG11 VAL 100 HG11 VAL 100 0.347 30.185 15.237 793 HG12 VAL 100 HG12 VAL 100 0.869 31.850 14.975 794 HG13 VAL 100 HG13 VAL 100 0.298 30.870 13.604 795 HG21 VAL 100 HG21 VAL 100 3.232 28.558 13.542 796 HG22 VAL 100 HG22 VAL 100 1.798 28.267 14.532 797 HG23 VAL 100 HG23 VAL 100 1.601 28.860 12.882 798 H LEU 101 H LEU 101 3.113 29.767 11.414 799 HA LEU 101 HA LEU 101 1.557 31.590 9.612 800 HB2 LEU 101 HB2 LEU 101 3.567 29.422 8.918 801 HB3 LEU 101 HB3 LEU 101 2.633 30.368 7.766 802 HG LEU 101 HG LEU 101 4.743 31.470 9.677 803 HD11 LEU 101 HD11 LEU 101 6.086 31.790 7.657 804 HD12 LEU 101 HD12 LEU 101 5.663 30.083 7.854 805 HD13 LEU 101 HD13 LEU 101 4.799 31.075 6.659 806 HD21 LEU 101 HD21 LEU 101 3.169 32.857 7.463 807 HD22 LEU 101 HD22 LEU 101 3.062 33.199 9.208 808 HD23 LEU 101 HD23 LEU 101 4.556 33.549 8.332 809 HA PRO 102 HA PRO 102 -0.974 28.005 10.909 810 HB2 PRO 102 HB2 PRO 102 -3.324 29.200 11.477 811 HB3 PRO 102 HB3 PRO 102 -1.870 29.483 12.475 812 HG2 PRO 102 HG2 PRO 102 -2.899 31.213 10.197 813 HG3 PRO 102 HG3 PRO 102 -2.496 31.725 11.867 814 HD2 PRO 102 HD2 PRO 102 -0.710 31.923 9.805 815 HD3 PRO 102 HD3 PRO 102 -0.196 31.536 11.474 816 H PHE 103 H PHE 103 -3.034 27.000 10.261 817 HA PHE 103 HA PHE 103 -4.422 26.048 8.781 818 HB2 PHE 103 HB2 PHE 103 -4.871 28.782 7.612 819 HB3 PHE 103 HB3 PHE 103 -6.021 27.471 7.801 820 HD1 PHE 103 HD2 PHE 103 -6.146 26.667 10.493 821 HD2 PHE 103 HD1 PHE 103 -5.253 30.608 8.988 822 HE1 PHE 103 HE2 PHE 103 -6.866 27.663 12.649 823 HE2 PHE 103 HE1 PHE 103 -5.980 31.592 11.142 824 HZ PHE 103 HZ PHE 103 -6.781 30.123 12.977 825 H HIS 104 H HIS 104 -1.742 25.857 7.850 826 HA HIS 104 HA HIS 104 -2.219 25.504 4.917 827 HB2 HIS 104 HB2 HIS 104 0.365 26.378 6.250 828 HB3 HIS 104 HB3 HIS 104 0.169 25.977 4.545 829 HD1 HIS 104 HD1 HIS 104 -2.771 27.920 4.935 830 HD2 HIS 104 HD2 HIS 104 1.328 28.766 5.110 831 HE1 HIS 104 HE1 HIS 104 -2.540 30.393 4.425 832 H THR 105 H THR 105 -1.232 23.676 3.953 833 HA THR 105 HA THR 105 -0.386 21.504 5.859 834 HB THR 105 HB THR 105 -2.403 21.269 3.607 835 HG1 THR 105 HG1 THR 105 -3.303 22.000 5.462 836 HG21 THR 105 HG21 THR 105 -1.211 19.143 3.662 837 HG22 THR 105 HG22 THR 105 -1.247 19.142 5.451 838 HG23 THR 105 HG23 THR 105 -2.747 18.958 4.515 839 H ILE 106 H ILE 106 -0.334 22.402 2.346 840 HA ILE 106 HA ILE 106 2.240 20.950 2.092 841 HB ILE 106 HB ILE 106 1.312 20.129 -0.200 842 HG12 ILE 106 HG12 ILE 106 -0.977 19.336 -0.202 843 HG13 ILE 106 HG13 ILE 106 -1.326 20.131 1.324 844 HG21 ILE 106 HG21 ILE 106 0.749 17.986 0.795 845 HG22 ILE 106 HG22 ILE 106 2.150 18.704 1.590 846 HG23 ILE 106 HG23 ILE 106 0.569 18.738 2.394 847 HD11 ILE 106 HD11 ILE 106 -1.184 22.322 0.286 848 HD12 ILE 106 HD12 ILE 106 -0.515 21.621 -1.211 849 HD13 ILE 106 HD13 ILE 106 -2.194 21.295 -0.740 850 H TYR 107 H TYR 107 3.521 21.410 0.312 851 HA TYR 107 HA TYR 107 2.993 23.929 -1.177 852 HB2 TYR 107 HB2 TYR 107 5.564 23.416 0.365 853 HB3 TYR 107 HB3 TYR 107 5.138 24.842 -0.558 854 HD1 TYR 107 HD2 TYR 107 3.407 26.442 0.329 855 HD2 TYR 107 HD1 TYR 107 4.880 23.110 2.636 856 HE1 TYR 107 HE2 TYR 107 2.602 27.527 2.429 857 HE2 TYR 107 HE1 TYR 107 4.075 24.190 4.723 858 HH TYR 107 HH TYR 107 3.058 26.081 5.606 859 H CYS 108 H CYS 108 2.913 22.885 -3.184 860 HA CYS 108 HA CYS 108 5.499 22.165 -4.288 861 HB2 CYS 108 HB2 CYS 108 4.593 20.001 -3.311 862 HB3 CYS 108 HB3 CYS 108 3.279 20.086 -4.495 863 HG CYS 108 HG CYS 108 6.564 19.967 -4.955 864 H TYR 109 H TYR 109 5.507 22.097 -6.613 865 HA TYR 109 HA TYR 109 3.161 23.304 -7.997 866 HB2 TYR 109 HB2 TYR 109 5.909 24.596 -8.055 867 HB3 TYR 109 HB3 TYR 109 4.448 25.179 -8.824 868 HD1 TYR 109 HD2 TYR 109 2.521 26.010 -7.335 869 HD2 TYR 109 HD1 TYR 109 6.469 25.158 -5.826 870 HE1 TYR 109 HE2 TYR 109 2.028 27.343 -5.294 871 HE2 TYR 109 HE1 TYR 109 5.970 26.490 -3.779 872 HH TYR 109 HH TYR 109 2.890 28.087 -3.249 873 H ASN 110 H ASN 110 6.536 22.127 -8.358 874 HA ASN 110 HA ASN 110 6.429 22.238 -11.213 875 HB2 ASN 110 HB2 ASN 110 8.459 20.993 -9.311 876 HB3 ASN 110 HB3 ASN 110 8.720 21.267 -11.029 877 HD21 ASN 110 HD22 ASN 110 8.878 23.497 -11.824 878 HD22 ASN 110 HD21 ASN 110 9.265 24.775 -10.677 879 H CYS 111 H CYS 111 5.906 19.519 -9.013 880 HA CYS 111 HA CYS 111 5.118 17.798 -11.267 881 HB2 CYS 111 HB2 CYS 111 6.639 15.974 -10.521 882 HB3 CYS 111 HB3 CYS 111 7.491 17.385 -11.138 883 HG CYS 111 HG CYS 111 8.833 16.379 -9.148 884 H GLY 112 H GLY 112 3.545 16.305 -10.729 885 HA2 GLY 112 HA2 GLY 112 1.866 15.318 -9.481 886 HA3 GLY 112 HA3 GLY 112 2.860 15.528 -8.039 887 H GLY 113 H GLY 113 2.050 18.391 -9.893 888 HA2 GLY 113 HA2 GLY 113 0.793 20.273 -9.400 889 HA3 GLY 113 HA3 GLY 113 -0.384 19.203 -8.636 890 H LYS 114 H LYS 114 -0.817 20.233 -6.750 891 HA LYS 114 HA LYS 114 1.375 20.974 -4.879 892 HB2 LYS 114 HB2 LYS 114 -0.258 22.109 -3.578 893 HB3 LYS 114 HB3 LYS 114 -0.420 22.593 -5.259 894 HG2 LYS 114 HG2 LYS 114 -2.393 21.066 -5.498 895 HG3 LYS 114 HG3 LYS 114 -2.197 20.567 -3.816 896 HD2 LYS 114 HD2 LYS 114 -3.967 22.175 -3.920 897 HD3 LYS 114 HD3 LYS 114 -2.599 22.915 -3.081 898 HE2 LYS 114 HE2 LYS 114 -1.968 24.106 -5.168 899 HE3 LYS 114 HE3 LYS 114 -3.293 23.324 -6.021 900 HZ1 LYS 114 HZ1 LYS 114 -3.898 25.553 -5.294 901 HZ2 LYS 114 HZ2 LYS 114 -4.845 24.467 -4.539 902 HZ3 LYS 114 HZ3 LYS 114 -3.618 25.186 -3.732 903 H GLY 115 H GLY 115 -0.074 18.156 -5.620 904 HA2 GLY 115 HA2 GLY 115 -0.828 17.180 -2.956 905 HA3 GLY 115 HA3 GLY 115 -0.940 16.334 -4.488 906 H HIS 116 H HIS 116 -0.223 14.521 -3.415 907 HA HIS 116 HA HIS 116 1.087 12.971 -2.498 908 HB2 HIS 116 HB2 HIS 116 2.709 12.163 -3.886 909 HB3 HIS 116 HB3 HIS 116 1.660 13.063 -4.949 910 HD1 HIS 116 HD1 HIS 116 5.259 12.608 -4.239 911 HD2 HIS 116 HD2 HIS 116 2.726 15.616 -5.723 912 HE1 HIS 116 HE1 HIS 116 6.731 14.211 -5.509 913 H PHE 117 H PHE 117 3.935 12.742 -2.339 914 HA PHE 117 HA PHE 117 4.533 14.064 0.184 915 HB2 PHE 117 HB2 PHE 117 6.541 12.743 0.157 916 HB3 PHE 117 HB3 PHE 117 5.152 11.757 -0.230 917 HD1 PHE 117 HD1 PHE 117 4.853 10.758 -2.481 918 HD2 PHE 117 HD2 PHE 117 8.330 13.103 -1.482 919 HE1 PHE 117 HE1 PHE 117 6.015 9.912 -4.501 920 HE2 PHE 117 HE2 PHE 117 9.490 12.230 -3.492 921 HZ PHE 117 HZ PHE 117 8.328 10.648 -5.010 922 H GLY 118 H GLY 118 4.029 15.824 -2.077 923 HA2 GLY 118 HA2 GLY 118 6.084 17.014 -3.444 924 HA3 GLY 118 HA3 GLY 118 4.645 17.820 -2.848 925 H ASP 119 H ASP 119 5.370 17.408 -0.009 926 HA ASP 119 HA ASP 119 6.922 19.756 0.594 927 HB2 ASP 119 HB2 ASP 119 5.125 18.763 2.010 928 HB3 ASP 119 HB3 ASP 119 6.132 17.347 2.269 929 H ASP 120 H ASP 120 7.697 16.288 0.512 930 HA ASP 120 HA ASP 120 10.477 16.705 1.453 931 HB2 ASP 120 HB2 ASP 120 9.023 15.041 2.565 932 HB3 ASP 120 HB3 ASP 120 8.817 14.197 1.039 933 H CYS 121 H CYS 121 8.741 16.119 -1.501 934 HA CYS 121 HA CYS 121 10.717 14.623 -2.881 935 HB2 CYS 121 HB2 CYS 121 9.256 14.686 -4.689 936 HB3 CYS 121 HB3 CYS 121 8.169 14.874 -3.310 937 HG CYS 121 HG CYS 121 9.451 17.165 -5.314 938 H LYS 122 H LYS 122 11.408 17.520 -1.818 939 HA LYS 122 HA LYS 122 12.049 19.060 -4.179 940 HB2 LYS 122 HB2 LYS 122 12.843 19.584 -1.288 941 HB3 LYS 122 HB3 LYS 122 12.854 20.741 -2.627 942 HG2 LYS 122 HG2 LYS 122 10.361 20.298 -2.893 943 HG3 LYS 122 HG3 LYS 122 10.426 19.401 -1.367 944 HD2 LYS 122 HD2 LYS 122 11.368 21.494 -0.278 945 HD3 LYS 122 HD3 LYS 122 11.044 22.352 -1.789 946 HE2 LYS 122 HE2 LYS 122 9.053 21.051 0.099 947 HE3 LYS 122 HE3 LYS 122 9.213 22.760 -0.282 948 HZ1 LYS 122 HZ1 LYS 122 7.376 21.862 -1.515 949 HZ2 LYS 122 HZ2 LYS 122 8.552 22.146 -2.615 950 HZ3 LYS 122 HZ3 LYS 122 8.222 20.626 -2.071 951 H GLU 123 H GLU 123 14.107 20.014 -4.648 952 HA GLU 123 HA GLU 123 16.428 18.170 -4.311 953 HB2 GLU 123 HB2 GLU 123 15.095 17.561 -6.306 954 HB3 GLU 123 HB3 GLU 123 15.309 19.188 -6.949 955 HG2 GLU 123 HG2 GLU 123 17.729 18.829 -7.122 956 HG3 GLU 123 HG3 GLU 123 17.584 17.266 -6.322 957 H LYS 124 H LYS 124 18.459 19.074 -4.591 958 HA LYS 124 HA LYS 124 18.648 22.023 -4.241 959 HB2 LYS 124 HB2 LYS 124 20.614 19.783 -3.640 960 HB3 LYS 124 HB3 LYS 124 20.941 21.505 -3.439 961 HG2 LYS 124 HG2 LYS 124 19.097 21.681 -1.785 962 HG3 LYS 124 HG3 LYS 124 18.729 19.968 -2.002 963 HD2 LYS 124 HD2 LYS 124 19.990 20.214 0.019 964 HD3 LYS 124 HD3 LYS 124 20.992 19.372 -1.167 965 HE2 LYS 124 HE2 LYS 124 22.159 21.522 -1.670 966 HE3 LYS 124 HE3 LYS 124 21.152 22.338 -0.478 967 HZ1 LYS 124 HZ1 LYS 124 23.298 21.717 0.453 968 HZ2 LYS 124 HZ2 LYS 124 22.124 20.897 1.229 969 HZ3 LYS 124 HZ3 LYS 124 23.056 20.141 0.119 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -23.103 13.451 -1.072 2 H2 LYS 1 H2 LYS 1 -22.610 12.967 -2.556 3 H3 LYS 1 H3 LYS 1 -22.455 14.540 -2.096 4 HA LYS 1 HA LYS 1 -21.010 12.231 -0.971 5 HB2 LYS 1 HB2 LYS 1 -20.290 13.087 -3.214 6 HB3 LYS 1 HB3 LYS 1 -19.895 14.631 -2.487 7 HG2 LYS 1 HG2 LYS 1 -18.647 11.963 -1.674 8 HG3 LYS 1 HG3 LYS 1 -18.013 13.018 -2.931 9 HD2 LYS 1 HD2 LYS 1 -17.812 14.860 -1.162 10 HD3 LYS 1 HD3 LYS 1 -18.195 13.625 0.042 11 HE2 LYS 1 HE2 LYS 1 -15.844 13.790 0.005 12 HE3 LYS 1 HE3 LYS 1 -16.255 12.271 -0.776 13 HZ1 LYS 1 HZ1 LYS 1 -15.545 14.780 -2.203 14 HZ2 LYS 1 HZ2 LYS 1 -14.553 13.504 -2.003 15 HZ3 LYS 1 HZ3 LYS 1 -15.882 13.355 -2.930 16 H GLU 2 H GLU 2 -21.223 12.411 1.170 17 HA GLU 2 HA GLU 2 -20.313 14.772 2.634 18 HB2 GLU 2 HB2 GLU 2 -22.372 15.163 3.800 19 HB3 GLU 2 HB3 GLU 2 -22.640 15.386 2.091 20 HG2 GLU 2 HG2 GLU 2 -23.476 12.970 3.746 21 HG3 GLU 2 HG3 GLU 2 -24.519 14.279 3.236 22 H ALA 3 H ALA 3 -20.422 14.370 5.055 23 HA ALA 3 HA ALA 3 -20.342 11.484 5.773 24 HB1 ALA 3 HB1 ALA 3 -18.187 11.785 6.890 25 HB2 ALA 3 HB2 ALA 3 -18.047 12.185 5.170 26 HB3 ALA 3 HB3 ALA 3 -18.128 13.483 6.377 27 H ALA 4 H ALA 4 -21.306 11.007 7.602 28 HA ALA 4 HA ALA 4 -22.274 12.911 9.545 29 HB1 ALA 4 HB1 ALA 4 -22.841 10.880 10.832 30 HB2 ALA 4 HB2 ALA 4 -23.411 10.788 9.154 31 HB3 ALA 4 HB3 ALA 4 -21.982 9.873 9.655 32 HA PRO 5 HA PRO 5 -18.742 11.409 12.369 33 HB2 PRO 5 HB2 PRO 5 -16.498 10.161 11.375 34 HB3 PRO 5 HB3 PRO 5 -17.990 9.299 11.842 35 HG2 PRO 5 HG2 PRO 5 -17.188 10.228 9.054 36 HG3 PRO 5 HG3 PRO 5 -17.743 8.598 9.567 37 HD2 PRO 5 HD2 PRO 5 -19.413 10.352 8.470 38 HD3 PRO 5 HD3 PRO 5 -19.933 9.364 9.875 39 H LYS 6 H LYS 6 -17.437 12.357 9.209 40 HA LYS 6 HA LYS 6 -15.418 13.107 8.597 41 HB2 LYS 6 HB2 LYS 6 -16.770 15.284 9.557 42 HB3 LYS 6 HB3 LYS 6 -15.310 15.368 10.537 43 HG2 LYS 6 HG2 LYS 6 -14.147 14.880 8.147 44 HG3 LYS 6 HG3 LYS 6 -15.669 15.497 7.532 45 HD2 LYS 6 HD2 LYS 6 -13.719 16.962 9.353 46 HD3 LYS 6 HD3 LYS 6 -13.959 17.221 7.620 47 HE2 LYS 6 HE2 LYS 6 -16.432 17.750 8.263 48 HE3 LYS 6 HE3 LYS 6 -15.824 17.900 9.908 49 HZ1 LYS 6 HZ1 LYS 6 -14.224 19.581 9.027 50 HZ2 LYS 6 HZ2 LYS 6 -14.920 19.473 7.559 51 HZ3 LYS 6 HZ3 LYS 6 -15.780 20.044 8.817 52 H CYS 7 H CYS 7 -13.225 14.370 10.018 53 HA CYS 7 HA CYS 7 -11.907 12.043 11.046 54 HB2 CYS 7 HB2 CYS 7 -11.331 14.999 11.044 55 HB3 CYS 7 HB3 CYS 7 -10.288 13.881 11.951 56 HG CYS 7 HG CYS 7 -11.109 13.898 8.774 57 H ASN 8 H ASN 8 -11.207 11.454 13.133 58 HA ASN 8 HA ASN 8 -13.213 11.608 15.181 59 HB2 ASN 8 HB2 ASN 8 -11.649 9.648 14.963 60 HB3 ASN 8 HB3 ASN 8 -10.293 10.713 15.302 61 HD21 ASN 8 HD22 ASN 8 -9.552 9.951 17.273 62 HD22 ASN 8 HD21 ASN 8 -10.588 9.813 18.688 63 H ASN 9 H ASN 9 -10.081 13.227 14.811 64 HA ASN 9 HA ASN 9 -10.551 14.811 17.312 65 HB2 ASN 9 HB2 ASN 9 -8.893 13.004 17.511 66 HB3 ASN 9 HB3 ASN 9 -7.992 13.648 16.143 67 HD21 ASN 9 HD22 ASN 9 -6.204 13.596 17.764 68 HD22 ASN 9 HD21 ASN 9 -6.042 14.986 18.830 69 H CYS 10 H CYS 10 -8.552 14.987 14.308 70 HA CYS 10 HA CYS 10 -8.810 17.924 14.206 71 HB2 CYS 10 HB2 CYS 10 -7.346 17.709 12.261 72 HB3 CYS 10 HB3 CYS 10 -6.698 16.813 13.629 73 HG CYS 10 HG CYS 10 -6.245 15.430 11.510 74 H SER 11 H SER 11 -9.212 18.388 11.519 75 HA SER 11 HA SER 11 -12.024 17.490 11.035 76 HB2 SER 11 HB2 SER 11 -12.468 19.903 10.534 77 HB3 SER 11 HB3 SER 11 -11.974 19.605 12.207 78 HG SER 11 HG SER 11 -10.761 21.285 11.266 79 H GLN 12 H GLN 12 -9.447 16.735 9.595 80 HA GLN 12 HA GLN 12 -9.811 17.740 6.868 81 HB2 GLN 12 HB2 GLN 12 -8.362 15.255 7.875 82 HB3 GLN 12 HB3 GLN 12 -8.297 15.917 6.240 83 HG2 GLN 12 HG2 GLN 12 -7.404 18.083 7.291 84 HG3 GLN 12 HG3 GLN 12 -7.165 17.147 8.771 85 HE21 GLN 12 HE22 GLN 12 -5.859 14.946 8.350 86 HE22 GLN 12 HE21 GLN 12 -4.508 15.130 7.240 87 H ARG 13 H ARG 13 -10.246 16.048 5.105 88 HA ARG 13 HA ARG 13 -12.348 14.091 5.888 89 HB2 ARG 13 HB2 ARG 13 -13.673 14.436 4.046 90 HB3 ARG 13 HB3 ARG 13 -13.343 16.039 4.659 91 HG2 ARG 13 HG2 ARG 13 -12.018 14.751 2.221 92 HG3 ARG 13 HG3 ARG 13 -13.359 15.889 2.198 93 HD2 ARG 13 HD2 ARG 13 -11.915 17.605 3.284 94 HD3 ARG 13 HD3 ARG 13 -10.539 16.508 3.170 95 HE ARG 13 HE ARG 13 -11.830 18.023 1.006 96 HH11 ARG 13 HH11 ARG 13 -9.619 15.363 1.645 97 HH12 ARG 13 HH12 ARG 13 -8.891 15.477 0.056 98 HH21 ARG 13 HH21 ARG 13 -10.873 18.101 -0.985 99 HH22 ARG 13 HH22 ARG 13 -9.600 16.981 -1.399 100 H GLY 14 H GLY 14 -12.433 12.146 4.777 101 HA2 GLY 14 HA2 GLY 14 -11.252 10.572 3.184 102 HA3 GLY 14 HA3 GLY 14 -9.736 11.242 3.795 103 H HIS 15 H HIS 15 -9.012 10.649 5.891 104 HA HIS 15 HA HIS 15 -10.123 8.187 6.947 105 HB2 HIS 15 HB2 HIS 15 -8.263 8.075 8.383 106 HB3 HIS 15 HB3 HIS 15 -7.746 8.468 6.760 107 HD1 HIS 15 HD1 HIS 15 -5.814 8.953 9.133 108 HD2 HIS 15 HD2 HIS 15 -8.500 11.831 7.672 109 HE1 HIS 15 HE1 HIS 15 -4.894 11.216 9.829 110 H LEU 16 H LEU 16 -12.251 9.010 7.381 111 HA LEU 16 HA LEU 16 -12.823 10.716 9.591 112 HB2 LEU 16 HB2 LEU 16 -15.073 9.908 9.482 113 HB3 LEU 16 HB3 LEU 16 -14.477 10.320 7.900 114 HG LEU 16 HG LEU 16 -15.988 8.447 7.870 115 HD11 LEU 16 HD11 LEU 16 -14.829 6.930 6.474 116 HD12 LEU 16 HD12 LEU 16 -14.177 8.549 6.185 117 HD13 LEU 16 HD13 LEU 16 -13.255 7.365 7.157 118 HD21 LEU 16 HD21 LEU 16 -13.997 6.740 9.394 119 HD22 LEU 16 HD22 LEU 16 -15.464 7.468 10.117 120 HD23 LEU 16 HD23 LEU 16 -15.601 6.297 8.800 121 H LYS 17 H LYS 17 -14.225 9.821 11.454 122 HA LYS 17 HA LYS 17 -13.023 9.327 13.550 123 HB2 LYS 17 HB2 LYS 17 -15.593 9.006 13.036 124 HB3 LYS 17 HB3 LYS 17 -15.274 7.317 13.336 125 HG2 LYS 17 HG2 LYS 17 -14.715 9.670 15.189 126 HG3 LYS 17 HG3 LYS 17 -16.064 8.561 15.329 127 HD2 LYS 17 HD2 LYS 17 -13.122 7.854 15.741 128 HD3 LYS 17 HD3 LYS 17 -14.296 8.139 17.002 129 HE2 LYS 17 HE2 LYS 17 -14.513 5.879 14.966 130 HE3 LYS 17 HE3 LYS 17 -13.784 5.734 16.554 131 HZ1 LYS 17 HZ1 LYS 17 -16.624 6.441 16.076 132 HZ2 LYS 17 HZ2 LYS 17 -16.068 5.014 16.633 133 HZ3 LYS 17 HZ3 LYS 17 -15.914 6.349 17.545 134 H LYS 18 H LYS 18 -13.975 6.140 12.249 135 HA LYS 18 HA LYS 18 -12.091 4.640 13.806 136 HB2 LYS 18 HB2 LYS 18 -12.875 2.728 12.447 137 HB3 LYS 18 HB3 LYS 18 -14.186 3.675 13.136 138 HG2 LYS 18 HG2 LYS 18 -14.656 4.750 11.013 139 HG3 LYS 18 HG3 LYS 18 -13.236 4.026 10.254 140 HD2 LYS 18 HD2 LYS 18 -15.593 2.429 11.340 141 HD3 LYS 18 HD3 LYS 18 -15.435 2.976 9.665 142 HE2 LYS 18 HE2 LYS 18 -13.269 1.749 9.486 143 HE3 LYS 18 HE3 LYS 18 -13.502 1.123 11.114 144 HZ1 LYS 18 HZ1 LYS 18 -14.262 -0.457 9.448 145 HZ2 LYS 18 HZ2 LYS 18 -15.541 0.037 10.329 146 HZ3 LYS 18 HZ3 LYS 18 -15.310 0.617 8.818 147 H ASP 19 H ASP 19 -11.674 6.060 10.670 148 HA ASP 19 HA ASP 19 -9.247 4.493 10.018 149 HB2 ASP 19 HB2 ASP 19 -10.881 6.595 8.552 150 HB3 ASP 19 HB3 ASP 19 -9.346 5.993 7.955 151 H CYS 20 H CYS 20 -10.128 7.517 11.485 152 HA CYS 20 HA CYS 20 -8.071 9.216 10.826 153 HB2 CYS 20 HB2 CYS 20 -10.243 9.646 12.013 154 HB3 CYS 20 HB3 CYS 20 -9.480 9.127 13.522 155 HG CYS 20 HG CYS 20 -7.488 10.906 13.330 156 HA PRO 21 HA PRO 21 -5.235 7.677 14.430 157 HB2 PRO 21 HB2 PRO 21 -6.051 4.796 14.648 158 HB3 PRO 21 HB3 PRO 21 -5.481 5.913 15.923 159 HG2 PRO 21 HG2 PRO 21 -8.112 5.281 15.720 160 HG3 PRO 21 HG3 PRO 21 -7.618 6.975 16.045 161 HD2 PRO 21 HD2 PRO 21 -8.362 5.722 13.385 162 HD3 PRO 21 HD3 PRO 21 -8.963 7.237 14.121 163 H HIS 22 H HIS 22 -3.215 7.324 13.593 164 HA HIS 22 HA HIS 22 -2.983 6.180 10.962 165 HB2 HIS 22 HB2 HIS 22 -0.933 7.317 12.893 166 HB3 HIS 22 HB3 HIS 22 -0.532 6.726 11.282 167 HD1 HIS 22 HD1 HIS 22 -2.456 7.920 9.386 168 HD2 HIS 22 HD2 HIS 22 -1.076 9.962 12.766 169 HE1 HIS 22 HE1 HIS 22 -2.766 10.390 8.880 170 H ILE 23 H ILE 23 -2.075 4.388 10.194 171 HA ILE 23 HA ILE 23 -0.964 2.331 12.058 172 HB ILE 23 HB ILE 23 -2.867 1.766 9.758 173 HG12 ILE 23 HG12 ILE 23 -3.282 1.736 12.779 174 HG13 ILE 23 HG13 ILE 23 -4.099 2.764 11.600 175 HG21 ILE 23 HG21 ILE 23 -1.116 -0.001 10.150 176 HG22 ILE 23 HG22 ILE 23 -1.650 -0.113 11.840 177 HG23 ILE 23 HG23 ILE 23 -2.735 -0.567 10.508 178 HD11 ILE 23 HD11 ILE 23 -5.638 1.083 12.274 179 HD12 ILE 23 HD12 ILE 23 -5.158 0.713 10.605 180 HD13 ILE 23 HD13 ILE 23 -4.486 -0.221 11.969 181 H ILE 24 H ILE 24 1.078 2.871 11.614 182 HA ILE 24 HA ILE 24 2.287 1.994 9.099 183 HB ILE 24 HB ILE 24 3.690 4.347 9.477 184 HG12 ILE 24 HG12 ILE 24 0.770 5.177 9.681 185 HG13 ILE 24 HG13 ILE 24 1.929 5.241 11.015 186 HG21 ILE 24 HG21 ILE 24 2.800 4.996 7.320 187 HG22 ILE 24 HG22 ILE 24 3.044 3.253 7.377 188 HG23 ILE 24 HG23 ILE 24 1.400 3.912 7.539 189 HD11 ILE 24 HD11 ILE 24 2.032 6.848 8.436 190 HD12 ILE 24 HD12 ILE 24 1.730 7.433 10.079 191 HD13 ILE 24 HD13 ILE 24 3.337 6.813 9.651 192 H CYS 25 H CYS 25 4.586 1.729 9.241 193 HA CYS 25 HA CYS 25 5.459 0.886 11.920 194 HB2 CYS 25 HB2 CYS 25 6.633 0.571 9.129 195 HB3 CYS 25 HB3 CYS 25 7.324 -0.136 10.597 196 HG CYS 25 HG CYS 25 5.267 -1.557 11.260 197 H SER 26 H SER 26 5.539 3.804 10.548 198 HA SER 26 HA SER 26 6.785 5.653 10.429 199 HB2 SER 26 HB2 SER 26 8.573 4.442 12.535 200 HB3 SER 26 HB3 SER 26 8.614 6.116 11.962 201 HG SER 26 HG SER 26 7.200 5.789 13.760 202 H TYR 27 H TYR 27 7.983 6.407 8.919 203 HA TYR 27 HA TYR 27 9.026 6.472 6.959 204 HB2 TYR 27 HB2 TYR 27 11.007 6.381 8.428 205 HB3 TYR 27 HB3 TYR 27 11.108 4.644 8.175 206 HD1 TYR 27 HD1 TYR 27 10.946 7.894 6.291 207 HD2 TYR 27 HD2 TYR 27 12.414 3.840 6.367 208 HE1 TYR 27 HE1 TYR 27 12.226 8.316 4.197 209 HE2 TYR 27 HE2 TYR 27 13.702 4.267 4.282 210 HH TYR 27 HH TYR 27 14.210 5.866 2.652 211 H CYS 28 H CYS 28 8.134 3.310 8.017 212 HA CYS 28 HA CYS 28 8.015 2.255 5.238 213 HB2 CYS 28 HB2 CYS 28 9.386 0.878 6.553 214 HB3 CYS 28 HB3 CYS 28 8.361 1.022 7.975 215 HG CYS 28 HG CYS 28 7.763 -0.573 5.132 216 H GLY 29 H GLY 29 6.162 1.638 4.353 217 HA2 GLY 29 HA2 GLY 29 3.909 1.072 4.119 218 HA3 GLY 29 HA3 GLY 29 3.646 1.381 5.836 219 H ALA 30 H ALA 30 1.656 2.169 4.514 220 HA ALA 30 HA ALA 30 1.746 5.104 4.678 221 HB1 ALA 30 HB1 ALA 30 0.479 3.592 2.352 222 HB2 ALA 30 HB2 ALA 30 0.347 5.335 2.655 223 HB3 ALA 30 HB3 ALA 30 1.923 4.624 2.262 224 H THR 31 H THR 31 -0.131 5.982 5.512 225 HA THR 31 HA THR 31 -1.568 4.253 7.269 226 HB THR 31 HB THR 31 -0.790 6.623 7.620 227 HG1 THR 31 HG1 THR 31 -3.393 5.932 8.298 228 HG21 THR 31 HG21 THR 31 -1.757 7.705 5.637 229 HG22 THR 31 HG22 THR 31 -3.399 7.339 6.203 230 HG23 THR 31 HG23 THR 31 -2.362 8.446 7.125 231 H ASP 32 H ASP 32 -2.316 5.145 4.032 232 HA ASP 32 HA ASP 32 -5.165 4.286 4.251 233 HB2 ASP 32 HB2 ASP 32 -4.637 6.391 3.098 234 HB3 ASP 32 HB3 ASP 32 -3.579 5.532 1.988 235 H ASP 33 H ASP 33 -2.066 3.000 3.251 236 HA ASP 33 HA ASP 33 -3.325 0.538 2.233 237 HB2 ASP 33 HB2 ASP 33 -3.206 1.957 0.237 238 HB3 ASP 33 HB3 ASP 33 -1.492 2.246 0.518 239 H HIS 34 H HIS 34 -2.409 -0.903 3.507 240 HA HIS 34 HA HIS 34 0.514 -1.221 3.564 241 HB2 HIS 34 HB2 HIS 34 -0.105 0.306 5.460 242 HB3 HIS 34 HB3 HIS 34 -1.154 -0.954 6.104 243 HD1 HIS 34 HD1 HIS 34 0.096 -2.478 7.839 244 HD2 HIS 34 HD2 HIS 34 2.600 -0.562 5.064 245 HE1 HIS 34 HE1 HIS 34 2.481 -3.075 8.493 246 H TYR 35 H TYR 35 1.163 -3.381 3.928 247 HA TYR 35 HA TYR 35 -1.038 -5.409 3.935 248 HB2 TYR 35 HB2 TYR 35 -0.492 -4.739 1.640 249 HB3 TYR 35 HB3 TYR 35 1.197 -5.142 1.909 250 HD1 TYR 35 HD2 TYR 35 -2.255 -6.624 1.920 251 HD2 TYR 35 HD1 TYR 35 1.977 -7.340 1.512 252 HE1 TYR 35 HE2 TYR 35 -2.721 -8.968 1.233 253 HE2 TYR 35 HE1 TYR 35 1.508 -9.694 0.832 254 HH TYR 35 HH TYR 35 -1.743 -10.992 0.573 255 H SER 36 H SER 36 -0.693 -6.501 5.703 256 HA SER 36 HA SER 36 0.174 -8.037 7.153 257 HB2 SER 36 HB2 SER 36 1.652 -8.966 4.652 258 HB3 SER 36 HB3 SER 36 1.119 -9.961 6.026 259 HG SER 36 HG SER 36 -0.980 -9.538 5.414 260 H ARG 37 H ARG 37 2.570 -9.507 7.272 261 HA ARG 37 HA ARG 37 4.576 -7.560 8.187 262 HB2 ARG 37 HB2 ARG 37 5.772 -9.364 9.087 263 HB3 ARG 37 HB3 ARG 37 4.093 -9.633 9.466 264 HG2 ARG 37 HG2 ARG 37 4.072 -11.632 8.448 265 HG3 ARG 37 HG3 ARG 37 4.726 -10.994 6.948 266 HD2 ARG 37 HD2 ARG 37 6.335 -11.841 9.389 267 HD3 ARG 37 HD3 ARG 37 6.150 -12.755 7.887 268 HE ARG 37 HE ARG 37 7.187 -10.141 7.312 269 HH11 ARG 37 HH11 ARG 37 8.321 -13.162 8.684 270 HH12 ARG 37 HH12 ARG 37 9.989 -12.820 8.271 271 HH21 ARG 37 HH21 ARG 37 9.280 -9.773 6.803 272 HH22 ARG 37 HH22 ARG 37 10.518 -10.930 7.225 273 H HIS 38 H HIS 38 3.788 -8.443 5.173 274 HA HIS 38 HA HIS 38 6.455 -8.875 4.027 275 HB2 HIS 38 HB2 HIS 38 4.345 -9.875 3.148 276 HB3 HIS 38 HB3 HIS 38 3.776 -8.266 2.719 277 HD1 HIS 38 HD1 HIS 38 5.773 -6.989 0.930 278 HD2 HIS 38 HD2 HIS 38 5.385 -11.161 1.177 279 HE1 HIS 38 HE1 HIS 38 6.798 -7.921 -1.188 280 H CYS 39 H CYS 39 4.119 -6.227 4.259 281 HA CYS 39 HA CYS 39 4.145 -4.059 4.081 282 HB2 CYS 39 HB2 CYS 39 7.166 -4.096 4.335 283 HB3 CYS 39 HB3 CYS 39 6.085 -2.749 4.704 284 HG CYS 39 HG CYS 39 6.308 -5.687 6.165 285 HA PRO 40 HA PRO 40 4.620 -3.026 -0.095 286 HB2 PRO 40 HB2 PRO 40 3.030 -0.927 0.022 287 HB3 PRO 40 HB3 PRO 40 2.649 -2.312 1.079 288 HG2 PRO 40 HG3 PRO 40 4.147 0.208 1.857 289 HG3 PRO 40 HG2 PRO 40 2.745 -0.544 2.680 290 HD2 PRO 40 HD2 PRO 40 5.500 -1.046 3.205 291 HD3 PRO 40 HD3 PRO 40 4.122 -2.026 3.766 292 H LYS 41 H LYS 41 4.475 -0.392 -1.178 293 HA LYS 41 HA LYS 41 7.189 0.164 -1.906 294 HB2 LYS 41 HB2 LYS 41 4.626 1.738 -2.375 295 HB3 LYS 41 HB3 LYS 41 6.173 2.080 -3.147 296 HG2 LYS 41 HG2 LYS 41 6.190 -0.229 -4.109 297 HG3 LYS 41 HG3 LYS 41 4.566 -0.488 -3.470 298 HD2 LYS 41 HD2 LYS 41 5.360 1.669 -5.474 299 HD3 LYS 41 HD3 LYS 41 4.587 0.131 -5.867 300 HE2 LYS 41 HE2 LYS 41 2.628 0.761 -4.472 301 HE3 LYS 41 HE3 LYS 41 3.377 2.317 -4.126 302 HZ1 LYS 41 HZ1 LYS 41 1.796 2.465 -5.963 303 HZ2 LYS 41 HZ2 LYS 41 3.292 2.824 -6.501 304 HZ3 LYS 41 HZ3 LYS 41 2.625 1.370 -6.835 305 H ALA 42 H ALA 42 5.451 1.350 0.792 306 HA ALA 42 HA ALA 42 5.880 2.868 2.415 307 HB1 ALA 42 HB1 ALA 42 8.197 3.113 3.119 308 HB2 ALA 42 HB2 ALA 42 7.906 1.457 2.565 309 HB3 ALA 42 HB3 ALA 42 8.773 2.600 1.526 310 H ILE 43 H ILE 43 7.704 4.973 2.732 311 HA ILE 43 HA ILE 43 5.931 6.946 1.595 312 HB ILE 43 HB ILE 43 8.125 7.382 3.641 313 HG12 ILE 43 HG12 ILE 43 5.235 6.487 4.000 314 HG13 ILE 43 HG13 ILE 43 6.679 5.572 4.430 315 HG21 ILE 43 HG21 ILE 43 5.517 8.917 3.205 316 HG22 ILE 43 HG22 ILE 43 6.794 9.301 4.372 317 HG23 ILE 43 HG23 ILE 43 7.106 9.504 2.668 318 HD11 ILE 43 HD11 ILE 43 5.830 6.358 6.463 319 HD12 ILE 43 HD12 ILE 43 7.208 7.427 6.115 320 HD13 ILE 43 HD13 ILE 43 5.540 7.987 5.842 321 H GLN 44 H GLN 44 7.160 6.187 -0.568 322 HA GLN 44 HA GLN 44 8.398 8.655 -1.495 323 HB2 GLN 44 HB2 GLN 44 10.330 7.649 -2.554 324 HB3 GLN 44 HB3 GLN 44 10.395 7.450 -0.804 325 HG2 GLN 44 HG2 GLN 44 9.643 5.100 -1.022 326 HG3 GLN 44 HG3 GLN 44 9.523 5.285 -2.774 327 HE21 GLN 44 HE22 GLN 44 11.035 3.241 -2.172 328 HE22 GLN 44 HE21 GLN 44 12.750 3.629 -2.281 329 H CYS 45 H CYS 45 8.344 9.030 -3.632 330 HA CYS 45 HA CYS 45 6.339 7.644 -5.263 331 HB2 CYS 45 HB2 CYS 45 6.310 10.099 -5.117 332 HB3 CYS 45 HB3 CYS 45 8.006 10.174 -5.603 333 HG CYS 45 HG CYS 45 5.421 9.038 -7.322 334 H SER 46 H SER 46 6.875 6.330 -6.939 335 HA SER 46 HA SER 46 9.473 5.151 -7.147 336 HB2 SER 46 HB2 SER 46 8.378 3.975 -9.080 337 HB3 SER 46 HB3 SER 46 7.409 3.938 -7.591 338 HG SER 46 HG SER 46 6.207 4.629 -9.436 339 H LYS 47 H LYS 47 8.033 7.878 -8.835 340 HA LYS 47 HA LYS 47 9.830 7.837 -11.123 341 HB2 LYS 47 HB2 LYS 47 7.510 8.757 -11.128 342 HB3 LYS 47 HB3 LYS 47 8.051 10.083 -10.093 343 HG2 LYS 47 HG2 LYS 47 9.560 10.885 -11.867 344 HG3 LYS 47 HG3 LYS 47 9.206 9.457 -12.845 345 HD2 LYS 47 HD2 LYS 47 7.994 11.325 -13.741 346 HD3 LYS 47 HD3 LYS 47 6.836 10.191 -13.041 347 HE2 LYS 47 HE2 LYS 47 6.689 11.607 -11.004 348 HE3 LYS 47 HE3 LYS 47 7.878 12.715 -11.685 349 HZ1 LYS 47 HZ1 LYS 47 5.216 12.163 -12.867 350 HZ2 LYS 47 HZ2 LYS 47 5.619 13.502 -12.027 351 HZ3 LYS 47 HZ3 LYS 47 6.320 13.211 -13.469 352 H CYS 48 H CYS 48 10.087 9.184 -7.889 353 HA CYS 48 HA CYS 48 12.803 10.119 -8.472 354 HB2 CYS 48 HB2 CYS 48 12.320 12.450 -7.658 355 HB3 CYS 48 HB3 CYS 48 11.699 12.041 -9.253 356 HG CYS 48 HG CYS 48 9.975 13.570 -8.056 357 H ASP 49 H ASP 49 10.869 11.363 -5.808 358 HA ASP 49 HA ASP 49 12.587 9.930 -3.821 359 HB2 ASP 49 HB2 ASP 49 12.213 12.929 -4.179 360 HB3 ASP 49 HB3 ASP 49 12.956 12.196 -2.767 361 H GLU 50 H GLU 50 11.732 11.388 -1.565 362 HA GLU 50 HA GLU 50 9.669 9.899 -0.562 363 HB2 GLU 50 HB2 GLU 50 10.369 12.761 0.156 364 HB3 GLU 50 HB3 GLU 50 9.369 11.682 1.133 365 HG2 GLU 50 HG2 GLU 50 11.253 10.093 1.336 366 HG3 GLU 50 HG3 GLU 50 12.275 11.165 0.387 367 H VAL 51 H VAL 51 7.399 9.949 -0.439 368 HA VAL 51 HA VAL 51 5.847 11.549 -2.284 369 HB VAL 51 HB VAL 51 3.845 10.700 -1.164 370 HG11 VAL 51 HG11 VAL 51 5.727 8.370 -1.558 371 HG12 VAL 51 HG12 VAL 51 3.982 8.453 -1.825 372 HG13 VAL 51 HG13 VAL 51 5.058 9.339 -2.911 373 HG21 VAL 51 HG21 VAL 51 4.647 10.569 1.173 374 HG22 VAL 51 HG22 VAL 51 3.976 9.034 0.621 375 HG23 VAL 51 HG23 VAL 51 5.739 9.235 0.720 376 H GLY 52 H GLY 52 7.259 12.350 0.623 377 HA2 GLY 52 HA2 GLY 52 5.623 14.251 1.887 378 HA3 GLY 52 HA3 GLY 52 7.387 14.255 1.817 379 H HIS 53 H HIS 53 6.848 14.478 -1.324 380 HA HIS 53 HA HIS 53 6.667 17.387 -1.599 381 HB2 HIS 53 HB2 HIS 53 7.009 16.916 -3.949 382 HB3 HIS 53 HB3 HIS 53 8.165 16.046 -2.971 383 HD1 HIS 53 HD1 HIS 53 4.858 14.191 -3.147 384 HD2 HIS 53 HD2 HIS 53 8.452 14.558 -5.294 385 HE1 HIS 53 HE1 HIS 53 4.971 12.197 -4.702 386 H TYR 54 H TYR 54 5.036 17.070 -4.154 387 HA TYR 54 HA TYR 54 2.511 17.855 -3.217 388 HB2 TYR 54 HB2 TYR 54 3.424 16.753 -5.884 389 HB3 TYR 54 HB3 TYR 54 1.741 17.164 -5.567 390 HD1 TYR 54 HD2 TYR 54 1.026 19.416 -4.910 391 HD2 TYR 54 HD1 TYR 54 5.007 18.590 -6.351 392 HE1 TYR 54 HE2 TYR 54 1.340 21.829 -5.428 393 HE2 TYR 54 HE1 TYR 54 5.312 21.006 -6.873 394 HH TYR 54 HH TYR 54 4.284 23.113 -6.843 395 H ARG 55 H ARG 55 0.834 16.957 -2.466 396 HA ARG 55 HA ARG 55 0.824 14.291 -1.485 397 HB2 ARG 55 HB2 ARG 55 -1.467 16.292 -1.613 398 HB3 ARG 55 HB3 ARG 55 -1.371 14.905 -0.542 399 HG2 ARG 55 HG2 ARG 55 0.405 17.385 -0.445 400 HG3 ARG 55 HG3 ARG 55 -0.897 16.955 0.660 401 HD2 ARG 55 HD2 ARG 55 0.393 14.894 1.300 402 HD3 ARG 55 HD3 ARG 55 1.737 15.462 0.316 403 HE ARG 55 HE ARG 55 0.653 16.746 2.802 404 HH11 ARG 55 HH11 ARG 55 3.343 16.626 0.516 405 HH12 ARG 55 HH12 ARG 55 4.430 17.377 1.628 406 HH21 ARG 55 HH21 ARG 55 2.076 17.852 4.105 407 HH22 ARG 55 HH22 ARG 55 3.701 18.166 3.544 408 H SER 56 H SER 56 -1.020 12.779 -1.608 409 HA SER 56 HA SER 56 -1.701 10.990 -2.831 410 HB2 SER 56 HB2 SER 56 -2.858 13.061 -4.705 411 HB3 SER 56 HB3 SER 56 -3.314 11.349 -4.600 412 HG SER 56 HG SER 56 -4.606 12.677 -3.253 413 H GLN 57 H GLN 57 0.867 11.688 -3.136 414 HA GLN 57 HA GLN 57 2.745 11.624 -4.302 415 HB2 GLN 57 HB2 GLN 57 3.273 9.443 -5.191 416 HB3 GLN 57 HB3 GLN 57 2.471 9.418 -3.629 417 HG2 GLN 57 HG2 GLN 57 0.340 8.728 -4.719 418 HG3 GLN 57 HG3 GLN 57 1.157 8.707 -6.287 419 HE21 GLN 57 HE22 GLN 57 0.975 7.110 -3.085 420 HE22 GLN 57 HE21 GLN 57 1.838 5.667 -3.604 421 H CYS 58 H CYS 58 2.730 13.393 -5.553 422 HA CYS 58 HA CYS 58 3.433 14.457 -7.391 423 HB2 CYS 58 HB2 CYS 58 4.883 12.343 -7.239 424 HB3 CYS 58 HB3 CYS 58 3.966 11.752 -8.629 425 HG CYS 58 HG CYS 58 5.656 14.568 -8.301 426 HA PRO 59 HA PRO 59 -0.401 14.011 -10.082 427 HB2 PRO 59 HB2 PRO 59 -1.838 16.147 -9.184 428 HB3 PRO 59 HB3 PRO 59 -1.917 14.545 -8.402 429 HG2 PRO 59 HG2 PRO 59 -0.170 16.900 -7.599 430 HG3 PRO 59 HG3 PRO 59 -1.308 15.972 -6.567 431 HD2 PRO 59 HD2 PRO 59 1.336 15.349 -6.625 432 HD3 PRO 59 HD3 PRO 59 0.094 14.062 -6.585 433 H HIS 60 H HIS 60 -1.225 15.966 -11.439 434 HA HIS 60 HA HIS 60 0.825 16.846 -13.073 435 HB2 HIS 60 HB2 HIS 60 -1.611 16.537 -13.580 436 HB3 HIS 60 HB3 HIS 60 -1.946 18.060 -12.765 437 HD1 HIS 60 HD1 HIS 60 -1.776 20.180 -14.319 438 HD2 HIS 60 HD2 HIS 60 0.036 16.717 -15.855 439 HE1 HIS 60 HE1 HIS 60 -1.085 20.734 -16.697 440 H LYS 61 H LYS 61 -0.098 18.443 -10.135 441 HA LYS 61 HA LYS 61 0.917 21.103 -10.766 442 HB2 LYS 61 HB2 LYS 61 0.421 19.674 -8.119 443 HB3 LYS 61 HB3 LYS 61 0.891 21.361 -8.259 444 HG2 LYS 61 HG2 LYS 61 -1.689 20.167 -9.353 445 HG3 LYS 61 HG3 LYS 61 -1.508 21.115 -7.875 446 HD2 LYS 61 HD2 LYS 61 -0.625 23.025 -9.270 447 HD3 LYS 61 HD3 LYS 61 -1.058 22.122 -10.724 448 HE2 LYS 61 HE2 LYS 61 -2.998 22.908 -8.511 449 HE3 LYS 61 HE3 LYS 61 -2.730 23.842 -9.971 450 HZ1 LYS 61 HZ1 LYS 61 -3.791 21.073 -9.910 451 HZ2 LYS 61 HZ2 LYS 61 -4.648 22.421 -10.222 452 HZ3 LYS 61 HZ3 LYS 61 -3.506 21.938 -11.273 453 H TRP 62 H TRP 62 2.560 18.144 -10.110 454 HA TRP 62 HA TRP 62 5.089 19.276 -9.249 455 HB2 TRP 62 HB2 TRP 62 4.607 16.927 -8.916 456 HB3 TRP 62 HB3 TRP 62 4.340 16.686 -10.638 457 HD1 TRP 62 HD1 TRP 62 7.154 17.227 -8.117 458 HE1 TRP 62 HE1 TRP 62 9.378 16.483 -9.132 459 HE3 TRP 62 HE3 TRP 62 5.613 16.385 -12.922 460 HZ2 TRP 62 HZ2 TRP 62 10.369 15.580 -11.677 461 HZ3 TRP 62 HZ3 TRP 62 7.236 15.596 -14.629 462 HH2 TRP 62 HH2 TRP 62 9.599 15.175 -14.018 463 H LYS 63 H LYS 63 6.651 20.210 -10.409 464 HA LYS 63 HA LYS 63 6.663 20.180 -13.382 465 HB2 LYS 63 HB2 LYS 63 6.679 22.673 -11.623 466 HB3 LYS 63 HB3 LYS 63 7.062 22.686 -13.331 467 HG2 LYS 63 HG2 LYS 63 4.368 21.900 -12.139 468 HG3 LYS 63 HG3 LYS 63 4.767 23.459 -12.831 469 HD2 LYS 63 HD2 LYS 63 4.755 20.841 -14.400 470 HD3 LYS 63 HD3 LYS 63 3.447 22.023 -14.349 471 HE2 LYS 63 HE2 LYS 63 4.998 23.760 -15.245 472 HE3 LYS 63 HE3 LYS 63 6.264 22.546 -15.383 473 HZ1 LYS 63 HZ1 LYS 63 4.825 21.331 -16.940 474 HZ2 LYS 63 HZ2 LYS 63 3.665 22.477 -16.815 475 HZ3 LYS 63 HZ3 LYS 63 5.103 22.844 -17.483 476 H LYS 64 H LYS 64 8.587 20.962 -14.311 477 HA LYS 64 HA LYS 64 11.030 21.241 -12.678 478 HB2 LYS 64 HB2 LYS 64 12.283 19.635 -14.020 479 HB3 LYS 64 HB3 LYS 64 10.962 18.839 -13.175 480 HG2 LYS 64 HG2 LYS 64 9.613 18.761 -15.214 481 HG3 LYS 64 HG3 LYS 64 10.824 19.678 -16.112 482 HD2 LYS 64 HD2 LYS 64 11.317 16.939 -14.874 483 HD3 LYS 64 HD3 LYS 64 10.831 17.221 -16.551 484 HE2 LYS 64 HE2 LYS 64 12.869 18.629 -16.883 485 HE3 LYS 64 HE3 LYS 64 13.389 18.240 -15.250 486 HZ1 LYS 64 HZ1 LYS 64 13.457 15.890 -15.906 487 HZ2 LYS 64 HZ2 LYS 64 12.985 16.263 -17.427 488 HZ3 LYS 64 HZ3 LYS 64 14.426 16.775 -16.871 489 H VAL 65 H VAL 65 12.884 22.004 -14.011 490 HA VAL 65 HA VAL 65 12.147 23.959 -16.070 491 HB VAL 65 HB VAL 65 14.925 22.902 -15.410 492 HG11 VAL 65 HG11 VAL 65 13.991 25.476 -16.771 493 HG12 VAL 65 HG12 VAL 65 15.667 25.055 -16.381 494 HG13 VAL 65 HG13 VAL 65 14.796 24.117 -17.590 495 HG21 VAL 65 HG21 VAL 65 13.448 25.326 -14.291 496 HG22 VAL 65 HG22 VAL 65 13.968 23.895 -13.373 497 HG23 VAL 65 HG23 VAL 65 15.174 24.982 -14.062 498 H GLN 66 H GLN 66 11.963 23.571 -18.230 499 HA GLN 66 HA GLN 66 12.072 20.818 -19.155 500 HB2 GLN 66 HB2 GLN 66 11.057 21.604 -21.168 501 HB3 GLN 66 HB3 GLN 66 10.246 22.286 -19.767 502 HG2 GLN 66 HG2 GLN 66 11.499 24.444 -20.142 503 HG3 GLN 66 HG3 GLN 66 12.218 23.735 -21.593 504 HE21 GLN 66 HE22 GLN 66 9.104 24.777 -20.118 505 HE22 GLN 66 HE21 GLN 66 8.263 24.895 -21.658 506 H CYS 67 H CYS 67 14.527 22.861 -18.744 507 HA CYS 67 HA CYS 67 16.195 21.472 -20.758 508 HB2 CYS 67 HB2 CYS 67 16.562 24.383 -19.950 509 HB3 CYS 67 HB3 CYS 67 17.636 23.442 -20.990 510 HG CYS 67 HG CYS 67 14.472 24.140 -21.463 511 H THR 68 H THR 68 18.371 21.419 -20.195 512 HA THR 68 HA THR 68 18.760 20.486 -17.399 513 HB THR 68 HB THR 68 20.020 18.679 -18.691 514 HG1 THR 68 HG1 THR 68 19.660 18.764 -20.937 515 HG21 THR 68 HG21 THR 68 17.137 19.044 -19.674 516 HG22 THR 68 HG22 THR 68 18.041 17.530 -19.545 517 HG23 THR 68 HG23 THR 68 17.563 18.401 -18.077 518 H LEU 69 H LEU 69 20.290 22.030 -20.191 519 HA LEU 69 HA LEU 69 22.867 22.669 -19.080 520 HB2 LEU 69 HB2 LEU 69 21.038 24.167 -21.023 521 HB3 LEU 69 HB3 LEU 69 22.679 24.628 -20.638 522 HG LEU 69 HG LEU 69 23.527 22.506 -21.637 523 HD11 LEU 69 HD11 LEU 69 21.994 21.347 -23.278 524 HD12 LEU 69 HD12 LEU 69 21.615 21.002 -21.597 525 HD13 LEU 69 HD13 LEU 69 20.621 22.167 -22.516 526 HD21 LEU 69 HD21 LEU 69 21.794 24.280 -23.419 527 HD22 LEU 69 HD22 LEU 69 23.447 24.640 -22.883 528 HD23 LEU 69 HD23 LEU 69 23.152 23.272 -23.966 529 H CYS 70 H CYS 70 19.626 24.097 -18.809 530 HA CYS 70 HA CYS 70 20.504 26.495 -17.442 531 HB2 CYS 70 HB2 CYS 70 17.686 25.423 -17.843 532 HB3 CYS 70 HB3 CYS 70 18.154 27.090 -17.491 533 HG CYS 70 HG CYS 70 19.542 27.450 -19.693 534 H LYS 71 H LYS 71 20.672 26.857 -15.320 535 HA LYS 71 HA LYS 71 19.655 24.841 -13.354 536 HB2 LYS 71 HB2 LYS 71 22.070 26.651 -13.058 537 HB3 LYS 71 HB3 LYS 71 21.577 25.349 -11.986 538 HG2 LYS 71 HG2 LYS 71 22.672 25.064 -14.808 539 HG3 LYS 71 HG3 LYS 71 23.478 24.676 -13.294 540 HD2 LYS 71 HD2 LYS 71 21.727 22.903 -12.867 541 HD3 LYS 71 HD3 LYS 71 21.078 23.224 -14.491 542 HE2 LYS 71 HE2 LYS 71 23.408 22.792 -15.399 543 HE3 LYS 71 HE3 LYS 71 23.883 22.277 -13.783 544 HZ1 LYS 71 HZ1 LYS 71 23.265 20.363 -15.060 545 HZ2 LYS 71 HZ2 LYS 71 22.072 20.571 -13.957 546 HZ3 LYS 71 HZ3 LYS 71 21.860 21.017 -15.522 547 H SER 72 H SER 72 18.420 27.445 -14.413 548 HA SER 72 HA SER 72 17.583 28.592 -11.798 549 HB2 SER 72 HB2 SER 72 19.413 30.002 -12.641 550 HB3 SER 72 HB3 SER 72 18.599 30.168 -14.211 551 HG SER 72 HG SER 72 17.964 31.286 -11.772 552 H LYS 73 H LYS 73 15.665 29.941 -11.970 553 HA LYS 73 HA LYS 73 13.643 28.893 -13.809 554 HB2 LYS 73 HB2 LYS 73 12.052 30.151 -12.528 555 HB3 LYS 73 HB3 LYS 73 13.106 29.241 -11.455 556 HG2 LYS 73 HG2 LYS 73 14.381 31.320 -10.941 557 HG3 LYS 73 HG3 LYS 73 13.321 32.233 -12.031 558 HD2 LYS 73 HD2 LYS 73 11.359 31.616 -10.639 559 HD3 LYS 73 HD3 LYS 73 12.423 30.713 -9.543 560 HE2 LYS 73 HE2 LYS 73 13.673 32.804 -9.055 561 HE3 LYS 73 HE3 LYS 73 12.609 33.695 -10.138 562 HZ1 LYS 73 HZ1 LYS 73 11.893 33.919 -7.840 563 HZ2 LYS 73 HZ2 LYS 73 10.745 33.117 -8.671 564 HZ3 LYS 73 HZ3 LYS 73 11.743 32.308 -7.660 565 H LYS 74 H LYS 74 15.769 31.599 -13.893 566 HA LYS 74 HA LYS 74 14.212 33.045 -15.955 567 HB2 LYS 74 HB2 LYS 74 17.018 33.463 -14.858 568 HB3 LYS 74 HB3 LYS 74 16.321 34.391 -16.188 569 HG2 LYS 74 HG2 LYS 74 14.437 35.091 -14.706 570 HG3 LYS 74 HG3 LYS 74 15.232 34.274 -13.348 571 HD2 LYS 74 HD2 LYS 74 17.193 35.742 -13.575 572 HD3 LYS 74 HD3 LYS 74 16.489 36.499 -15.018 573 HE2 LYS 74 HE2 LYS 74 14.576 37.301 -13.670 574 HE3 LYS 74 HE3 LYS 74 15.268 36.564 -12.231 575 HZ1 LYS 74 HZ1 LYS 74 17.182 38.055 -12.474 576 HZ2 LYS 74 HZ2 LYS 74 16.534 38.735 -13.811 577 HZ3 LYS 74 HZ3 LYS 74 15.806 38.923 -12.366 578 H HIS 75 H HIS 75 14.726 33.164 -18.115 579 HA HIS 75 HA HIS 75 16.574 31.135 -19.251 580 HB2 HIS 75 HB2 HIS 75 14.247 30.177 -18.889 581 HB3 HIS 75 HB3 HIS 75 13.651 31.363 -20.047 582 HD1 HIS 75 HD1 HIS 75 14.006 30.703 -22.614 583 HD2 HIS 75 HD2 HIS 75 16.017 28.290 -19.824 584 HE1 HIS 75 HE1 HIS 75 14.957 28.739 -23.918 585 H SER 76 H SER 76 17.324 31.574 -21.319 586 HA SER 76 HA SER 76 16.758 34.330 -22.363 587 HB2 SER 76 HB2 SER 76 19.429 33.042 -21.785 588 HB3 SER 76 HB3 SER 76 19.189 34.594 -22.618 589 HG SER 76 HG SER 76 19.405 34.850 -20.353 590 H LYS 77 H LYS 77 15.812 34.020 -24.209 591 HA LYS 77 HA LYS 77 16.358 31.972 -26.112 592 HB2 LYS 77 HB2 LYS 77 14.822 33.105 -27.531 593 HB3 LYS 77 HB3 LYS 77 14.227 33.238 -25.882 594 HG2 LYS 77 HG2 LYS 77 15.156 35.579 -25.775 595 HG3 LYS 77 HG3 LYS 77 15.666 35.414 -27.467 596 HD2 LYS 77 HD2 LYS 77 13.278 35.025 -28.122 597 HD3 LYS 77 HD3 LYS 77 12.810 35.212 -26.431 598 HE2 LYS 77 HE2 LYS 77 12.337 37.288 -27.444 599 HE3 LYS 77 HE3 LYS 77 13.779 37.538 -26.471 600 HZ1 LYS 77 HZ1 LYS 77 13.777 37.101 -29.416 601 HZ2 LYS 77 HZ2 LYS 77 13.980 38.550 -28.674 602 HZ3 LYS 77 HZ3 LYS 77 15.093 37.393 -28.506 603 H GLU 78 H GLU 78 18.087 34.890 -25.536 604 HA GLU 78 HA GLU 78 19.403 34.920 -28.175 605 HB2 GLU 78 HB2 GLU 78 20.047 36.466 -25.647 606 HB3 GLU 78 HB3 GLU 78 20.693 36.785 -27.250 607 HG2 GLU 78 HG2 GLU 78 17.819 37.126 -26.320 608 HG3 GLU 78 HG3 GLU 78 18.964 38.391 -26.705 609 H ARG 79 H ARG 79 19.827 33.060 -25.383 610 HA ARG 79 HA ARG 79 22.748 32.576 -25.900 611 HB2 ARG 79 HB2 ARG 79 21.174 32.435 -23.297 612 HB3 ARG 79 HB3 ARG 79 22.853 31.971 -23.476 613 HG2 ARG 79 HG2 ARG 79 21.745 34.778 -23.904 614 HG3 ARG 79 HG3 ARG 79 22.578 34.215 -22.465 615 HD2 ARG 79 HD2 ARG 79 23.799 34.398 -25.248 616 HD3 ARG 79 HD3 ARG 79 24.027 35.553 -23.937 617 HE ARG 79 HE ARG 79 24.788 33.027 -22.922 618 HH11 ARG 79 HH11 ARG 79 25.972 35.294 -25.326 619 HH12 ARG 79 HH12 ARG 79 27.627 34.748 -25.159 620 HH21 ARG 79 HH21 ARG 79 26.904 32.346 -22.790 621 HH22 ARG 79 HH22 ARG 79 28.133 33.116 -23.761 622 H CYS 80 H CYS 80 19.720 30.941 -24.912 623 HA CYS 80 HA CYS 80 21.076 28.401 -24.811 624 HB2 CYS 80 HB2 CYS 80 19.328 29.061 -23.230 625 HB3 CYS 80 HB3 CYS 80 18.110 28.975 -24.507 626 HG CYS 80 HG CYS 80 18.571 26.478 -25.141 627 HA PRO 81 HA PRO 81 18.696 26.924 -28.586 628 HB2 PRO 81 HB2 PRO 81 17.128 28.469 -30.169 629 HB3 PRO 81 HB3 PRO 81 16.555 27.813 -28.607 630 HG2 PRO 81 HG2 PRO 81 17.721 30.562 -29.145 631 HG3 PRO 81 HG3 PRO 81 16.183 30.170 -28.314 632 HD2 PRO 81 HD2 PRO 81 18.466 30.648 -26.917 633 HD3 PRO 81 HD3 PRO 81 17.300 29.390 -26.399 634 H SER 82 H SER 82 19.292 26.649 -30.732 635 HA SER 82 HA SER 82 20.562 26.754 -32.609 636 HB2 SER 82 HB2 SER 82 19.769 29.664 -32.407 637 HB3 SER 82 HB3 SER 82 20.237 28.808 -33.886 638 HG SER 82 HG SER 82 17.971 28.786 -33.499 639 H ILE 83 H ILE 83 22.159 28.409 -33.925 640 HA ILE 83 HA ILE 83 24.351 29.317 -32.200 641 HB ILE 83 HB ILE 83 24.909 26.990 -32.707 642 HG12 ILE 83 HG12 ILE 83 27.131 27.275 -33.728 643 HG13 ILE 83 HG13 ILE 83 26.716 28.910 -34.232 644 HG21 ILE 83 HG21 ILE 83 24.887 27.720 -35.665 645 HG22 ILE 83 HG22 ILE 83 25.386 26.177 -34.951 646 HG23 ILE 83 HG23 ILE 83 23.703 26.683 -34.842 647 HD11 ILE 83 HD11 ILE 83 26.536 29.613 -31.866 648 HD12 ILE 83 HD12 ILE 83 26.794 27.932 -31.340 649 HD13 ILE 83 HD13 ILE 83 28.093 28.821 -32.154 650 H TRP 84 H TRP 84 25.406 31.094 -32.979 651 HA TRP 84 HA TRP 84 24.310 32.344 -35.437 652 HB2 TRP 84 HB2 TRP 84 24.288 33.618 -33.346 653 HB3 TRP 84 HB3 TRP 84 26.039 33.496 -33.239 654 HD1 TRP 84 HD1 TRP 84 27.466 34.848 -35.073 655 HE1 TRP 84 HE1 TRP 84 26.956 36.892 -36.515 656 HE3 TRP 84 HE3 TRP 84 22.377 34.980 -34.542 657 HZ2 TRP 84 HZ2 TRP 84 24.680 38.468 -37.257 658 HZ3 TRP 84 HZ3 TRP 84 21.066 36.782 -35.636 659 HH2 TRP 84 HH2 TRP 84 22.199 38.524 -36.989 660 H ARG 85 H ARG 85 25.312 31.970 -37.270 661 HA ARG 85 HA ARG 85 28.291 32.093 -37.451 662 HB2 ARG 85 HB2 ARG 85 26.584 30.055 -38.928 663 HB3 ARG 85 HB3 ARG 85 28.337 30.226 -38.994 664 HG2 ARG 85 HG2 ARG 85 28.379 29.699 -36.487 665 HG3 ARG 85 HG3 ARG 85 26.658 29.313 -36.633 666 HD2 ARG 85 HD2 ARG 85 27.809 27.256 -36.780 667 HD3 ARG 85 HD3 ARG 85 27.244 27.635 -38.412 668 HE ARG 85 HE ARG 85 29.939 28.608 -37.982 669 HH11 ARG 85 HH11 ARG 85 28.244 25.594 -38.612 670 HH12 ARG 85 HH12 ARG 85 29.656 24.845 -39.325 671 HH21 ARG 85 HH21 ARG 85 31.689 27.602 -38.907 672 HH22 ARG 85 HH22 ARG 85 31.558 25.959 -39.481 673 H ALA 86 H ALA 86 25.900 33.917 -38.156 674 HA ALA 86 HA ALA 86 26.381 34.252 -41.089 675 HB1 ALA 86 HB1 ALA 86 24.110 33.555 -40.435 676 HB2 ALA 86 HB2 ALA 86 23.962 34.999 -39.407 677 HB3 ALA 86 HB3 ALA 86 24.119 35.164 -41.169 678 H TYR 87 H TYR 87 25.981 36.482 -41.913 679 HA TYR 87 HA TYR 87 26.547 38.700 -40.074 680 HB2 TYR 87 HB2 TYR 87 28.772 37.898 -40.931 681 HB3 TYR 87 HB3 TYR 87 28.231 38.257 -42.565 682 HD1 TYR 87 HD1 TYR 87 28.725 39.825 -39.185 683 HD2 TYR 87 HD2 TYR 87 28.525 40.444 -43.448 684 HE1 TYR 87 HE1 TYR 87 29.424 42.189 -38.874 685 HE2 TYR 87 HE2 TYR 87 29.230 42.810 -43.132 686 HH TYR 87 HH TYR 87 29.901 44.197 -39.980 687 H ILE 88 H ILE 88 26.008 40.786 -40.965 688 HA ILE 88 HA ILE 88 23.555 40.586 -42.527 689 HB ILE 88 HB ILE 88 24.896 42.957 -41.194 690 HG12 ILE 88 HG12 ILE 88 22.495 41.249 -40.381 691 HG13 ILE 88 HG13 ILE 88 24.095 41.170 -39.648 692 HG21 ILE 88 HG21 ILE 88 23.467 43.736 -43.072 693 HG22 ILE 88 HG22 ILE 88 22.113 42.774 -42.440 694 HG23 ILE 88 HG23 ILE 88 22.755 44.159 -41.533 695 HD11 ILE 88 HD11 ILE 88 22.159 43.503 -39.477 696 HD12 ILE 88 HD12 ILE 88 22.697 42.425 -38.186 697 HD13 ILE 88 HD13 ILE 88 23.851 43.557 -38.917 698 H LEU 89 H LEU 89 23.192 41.076 -44.542 699 HA LEU 89 HA LEU 89 25.010 42.818 -46.110 700 HB2 LEU 89 HB2 LEU 89 23.769 40.206 -47.060 701 HB3 LEU 89 HB3 LEU 89 24.552 41.377 -48.110 702 HG LEU 89 HG LEU 89 25.963 39.860 -45.868 703 HD11 LEU 89 HD11 LEU 89 25.996 39.450 -48.886 704 HD12 LEU 89 HD12 LEU 89 27.011 38.592 -47.706 705 HD13 LEU 89 HD13 LEU 89 25.256 38.370 -47.685 706 HD21 LEU 89 HD21 LEU 89 28.033 40.657 -46.974 707 HD22 LEU 89 HD22 LEU 89 27.065 41.620 -48.110 708 HD23 LEU 89 HD23 LEU 89 27.077 42.016 -46.375 709 H VAL 90 H VAL 90 23.949 44.027 -47.732 710 HA VAL 90 HA VAL 90 20.982 44.287 -47.446 711 HB VAL 90 HB VAL 90 22.985 46.576 -47.402 712 HG11 VAL 90 HG11 VAL 90 19.943 46.580 -47.152 713 HG12 VAL 90 HG12 VAL 90 20.999 47.982 -46.899 714 HG13 VAL 90 HG13 VAL 90 20.888 47.258 -48.500 715 HG21 VAL 90 HG21 VAL 90 22.128 46.968 -45.093 716 HG22 VAL 90 HG22 VAL 90 21.198 45.457 -45.195 717 HG23 VAL 90 HG23 VAL 90 22.976 45.429 -45.228 718 H ASP 91 H ASP 91 19.872 44.773 -49.243 719 HA ASP 91 HA ASP 91 21.265 45.314 -51.817 720 HB2 ASP 91 HB2 ASP 91 19.225 43.120 -51.288 721 HB3 ASP 91 HB3 ASP 91 19.729 43.645 -52.885 722 H ASP 92 H ASP 92 19.787 46.068 -53.502 723 HA ASP 92 HA ASP 92 17.349 47.467 -52.498 724 HB2 ASP 92 HB2 ASP 92 19.287 49.005 -52.704 725 HB3 ASP 92 HB3 ASP 92 19.438 48.567 -54.402 726 H ASN 93 H ASN 93 15.696 47.837 -54.026 727 HA ASN 93 HA ASN 93 15.608 45.836 -56.237 728 HB2 ASN 93 HB2 ASN 93 14.163 45.334 -54.296 729 HB3 ASN 93 HB3 ASN 93 13.388 46.912 -54.454 730 HD21 ASN 93 HD22 ASN 93 13.943 43.818 -56.207 731 HD22 ASN 93 HD21 ASN 93 12.469 43.950 -57.158 732 H GLU 94 H GLU 94 14.759 46.356 -58.217 733 HA GLU 94 HA GLU 94 13.824 49.129 -58.755 734 HB2 GLU 94 HB2 GLU 94 15.909 47.625 -60.380 735 HB3 GLU 94 HB3 GLU 94 15.097 49.109 -60.883 736 HG2 GLU 94 HG2 GLU 94 16.043 50.288 -58.910 737 HG3 GLU 94 HG3 GLU 94 16.916 48.827 -58.461 738 H LYS 95 H LYS 95 12.170 49.283 -60.156 739 HA LYS 95 HA LYS 95 11.453 47.210 -62.064 740 HB2 LYS 95 HB2 LYS 95 9.197 46.808 -61.217 741 HB3 LYS 95 HB3 LYS 95 10.423 46.276 -60.078 742 HG2 LYS 95 HG2 LYS 95 10.036 48.369 -58.727 743 HG3 LYS 95 HG3 LYS 95 8.786 48.846 -59.881 744 HD2 LYS 95 HD2 LYS 95 7.706 47.874 -57.976 745 HD3 LYS 95 HD3 LYS 95 7.522 46.753 -59.331 746 HE2 LYS 95 HE2 LYS 95 9.419 45.399 -58.446 747 HE3 LYS 95 HE3 LYS 95 9.610 46.536 -57.120 748 HZ1 LYS 95 HZ1 LYS 95 7.388 45.934 -56.353 749 HZ2 LYS 95 HZ2 LYS 95 7.186 44.894 -57.600 750 HZ3 LYS 95 HZ3 LYS 95 8.313 44.599 -56.460 751 H ALA 96 H ALA 96 9.679 47.812 -63.460 752 HA ALA 96 HA ALA 96 9.413 50.771 -63.815 753 HB1 ALA 96 HB1 ALA 96 9.410 50.336 -66.219 754 HB2 ALA 96 HB2 ALA 96 10.869 49.667 -65.473 755 HB3 ALA 96 HB3 ALA 96 9.533 48.589 -65.928 756 H LYS 97 H LYS 97 7.496 51.411 -65.152 757 HA LYS 97 HA LYS 97 5.039 49.848 -64.508 758 HB2 LYS 97 HB2 LYS 97 5.472 51.611 -62.817 759 HB3 LYS 97 HB3 LYS 97 5.430 52.833 -64.088 760 HG2 LYS 97 HG2 LYS 97 3.064 52.217 -64.585 761 HG3 LYS 97 HG3 LYS 97 3.131 50.990 -63.304 762 HD2 LYS 97 HD2 LYS 97 3.542 52.750 -61.623 763 HD3 LYS 97 HD3 LYS 97 3.539 53.986 -62.899 764 HE2 LYS 97 HE2 LYS 97 1.214 53.376 -63.486 765 HE3 LYS 97 HE3 LYS 97 1.209 52.142 -62.233 766 HZ1 LYS 97 HZ1 LYS 97 1.518 55.053 -61.743 767 HZ2 LYS 97 HZ2 LYS 97 0.167 54.187 -61.460 768 HZ3 LYS 97 HZ3 LYS 97 1.507 53.903 -60.580 769 HA PRO 98 HA PRO 98 4.140 50.963 -68.809 770 HB2 PRO 98 HB2 PRO 98 1.819 49.614 -69.169 771 HB3 PRO 98 HB3 PRO 98 3.361 48.766 -68.871 772 HG2 PRO 98 HG2 PRO 98 1.221 49.483 -66.839 773 HG3 PRO 98 HG3 PRO 98 1.966 47.877 -67.134 774 HD2 PRO 98 HD2 PRO 98 2.855 49.574 -65.183 775 HD3 PRO 98 HD3 PRO 98 3.969 48.511 -66.092 776 H LYS 99 H LYS 99 2.001 51.686 -70.029 777 HA LYS 99 HA LYS 99 1.198 54.278 -69.064 778 HB2 LYS 99 HB2 LYS 99 0.052 52.553 -71.298 779 HB3 LYS 99 HB3 LYS 99 -0.332 54.252 -71.027 780 HG2 LYS 99 HG2 LYS 99 2.130 54.783 -71.311 781 HG3 LYS 99 HG3 LYS 99 2.368 53.115 -71.844 782 HD2 LYS 99 HD2 LYS 99 0.566 55.204 -73.147 783 HD3 LYS 99 HD3 LYS 99 2.130 54.647 -73.750 784 HE2 LYS 99 HE2 LYS 99 1.208 52.358 -74.027 785 HE3 LYS 99 HE3 LYS 99 -0.355 52.911 -73.433 786 HZ1 LYS 99 HZ1 LYS 99 -0.483 54.417 -75.337 787 HZ2 LYS 99 HZ2 LYS 99 0.968 53.910 -75.892 788 HZ3 LYS 99 HZ3 LYS 99 -0.295 52.882 -75.850 789 H VAL 100 H VAL 100 -0.929 55.047 -68.785 790 HA VAL 100 HA VAL 100 -3.031 53.143 -67.852 791 HB VAL 100 HB VAL 100 -2.496 55.914 -66.710 792 HG11 VAL 100 HG11 VAL 100 -4.314 55.325 -65.102 793 HG12 VAL 100 HG12 VAL 100 -4.906 55.479 -66.751 794 HG13 VAL 100 HG13 VAL 100 -4.658 53.863 -66.046 795 HG21 VAL 100 HG21 VAL 100 -0.906 54.258 -65.806 796 HG22 VAL 100 HG22 VAL 100 -2.094 54.706 -64.579 797 HG23 VAL 100 HG23 VAL 100 -2.248 53.154 -65.430 798 H LEU 101 H LEU 101 -5.110 53.576 -68.663 799 HA LEU 101 HA LEU 101 -5.053 54.733 -71.236 800 HB2 LEU 101 HB2 LEU 101 -7.216 53.941 -71.574 801 HB3 LEU 101 HB3 LEU 101 -6.353 52.771 -70.624 802 HG LEU 101 HG LEU 101 -8.547 52.747 -69.892 803 HD11 LEU 101 HD11 LEU 101 -7.158 54.415 -67.771 804 HD12 LEU 101 HD12 LEU 101 -8.520 53.304 -67.549 805 HD13 LEU 101 HD13 LEU 101 -6.943 52.659 -68.024 806 HD21 LEU 101 HD21 LEU 101 -9.940 54.529 -69.225 807 HD22 LEU 101 HD22 LEU 101 -8.640 55.724 -69.306 808 HD23 LEU 101 HD23 LEU 101 -9.256 54.964 -70.796 809 HA PRO 102 HA PRO 102 -6.271 58.907 -70.459 810 HB2 PRO 102 HB2 PRO 102 -6.835 59.821 -72.944 811 HB3 PRO 102 HB3 PRO 102 -5.194 59.279 -72.477 812 HG2 PRO 102 HG2 PRO 102 -7.322 57.699 -73.957 813 HG3 PRO 102 HG3 PRO 102 -5.594 57.894 -74.382 814 HD2 PRO 102 HD2 PRO 102 -6.558 55.724 -72.994 815 HD3 PRO 102 HD3 PRO 102 -4.918 56.389 -72.729 816 H PHE 103 H PHE 103 -8.012 60.003 -69.790 817 HA PHE 103 HA PHE 103 -10.647 59.665 -71.135 818 HB2 PHE 103 HB2 PHE 103 -11.825 59.393 -69.064 819 HB3 PHE 103 HB3 PHE 103 -10.609 58.141 -69.184 820 HD1 PHE 103 HD1 PHE 103 -8.592 58.181 -67.707 821 HD2 PHE 103 HD2 PHE 103 -11.717 61.127 -67.344 822 HE1 PHE 103 HE1 PHE 103 -7.695 58.870 -65.499 823 HE2 PHE 103 HE2 PHE 103 -10.818 61.805 -65.135 824 HZ PHE 103 HZ PHE 103 -8.805 60.683 -64.213 825 H HIS 104 H HIS 104 -8.317 61.815 -70.027 826 HA HIS 104 HA HIS 104 -10.252 63.909 -69.197 827 HB2 HIS 104 HB2 HIS 104 -8.596 62.966 -67.595 828 HB3 HIS 104 HB3 HIS 104 -7.298 63.593 -68.602 829 HD1 HIS 104 HD1 HIS 104 -6.368 65.390 -66.945 830 HD2 HIS 104 HD2 HIS 104 -10.522 65.563 -67.530 831 HE1 HIS 104 HE1 HIS 104 -7.168 67.478 -65.745 832 H THR 105 H THR 105 -8.943 63.289 -72.053 833 HA THR 105 HA THR 105 -7.738 65.889 -72.741 834 HB THR 105 HB THR 105 -7.389 64.687 -74.947 835 HG1 THR 105 HG1 THR 105 -7.900 62.477 -74.856 836 HG21 THR 105 HG21 THR 105 -5.676 63.167 -74.154 837 HG22 THR 105 HG22 THR 105 -5.653 64.621 -73.148 838 HG23 THR 105 HG23 THR 105 -6.384 63.124 -72.526 839 H ILE 106 H ILE 106 -10.825 65.148 -72.382 840 HA ILE 106 HA ILE 106 -12.247 64.958 -74.611 841 HB ILE 106 HB ILE 106 -13.086 64.876 -72.331 842 HG12 ILE 106 HG12 ILE 106 -14.802 66.703 -74.056 843 HG13 ILE 106 HG13 ILE 106 -14.606 64.965 -74.299 844 HG21 ILE 106 HG21 ILE 106 -13.756 66.795 -71.044 845 HG22 ILE 106 HG22 ILE 106 -12.074 67.041 -71.492 846 HG23 ILE 106 HG23 ILE 106 -13.360 67.909 -72.359 847 HD11 ILE 106 HD11 ILE 106 -15.871 66.325 -71.887 848 HD12 ILE 106 HD12 ILE 106 -16.665 65.330 -73.116 849 HD13 ILE 106 HD13 ILE 106 -15.522 64.581 -71.987 850 H TYR 107 H TYR 107 -11.096 68.189 -73.580 851 HA TYR 107 HA TYR 107 -12.712 69.567 -75.522 852 HB2 TYR 107 HB2 TYR 107 -10.329 70.523 -73.905 853 HB3 TYR 107 HB3 TYR 107 -11.418 71.558 -74.827 854 HD1 TYR 107 HD2 TYR 107 -14.024 71.142 -74.353 855 HD2 TYR 107 HD1 TYR 107 -10.804 70.379 -71.583 856 HE1 TYR 107 HE2 TYR 107 -15.615 71.322 -72.448 857 HE2 TYR 107 HE1 TYR 107 -12.401 70.560 -69.685 858 HH TYR 107 HH TYR 107 -14.637 70.946 -69.100 859 H CYS 108 H CYS 108 -9.795 67.881 -76.056 860 HA CYS 108 HA CYS 108 -9.990 68.578 -78.825 861 HB2 CYS 108 HB2 CYS 108 -8.505 70.451 -77.747 862 HB3 CYS 108 HB3 CYS 108 -7.242 69.201 -77.715 863 HG CYS 108 HG CYS 108 -7.534 68.592 -80.277 864 H TYR 109 H TYR 109 -10.462 66.203 -77.618 865 HA TYR 109 HA TYR 109 -8.359 64.506 -77.020 866 HB2 TYR 109 HB2 TYR 109 -9.951 62.738 -77.039 867 HB3 TYR 109 HB3 TYR 109 -10.772 64.180 -76.486 868 HD1 TYR 109 HD1 TYR 109 -10.496 61.693 -79.196 869 HD2 TYR 109 HD2 TYR 109 -12.507 65.277 -77.882 870 HE1 TYR 109 HE1 TYR 109 -12.197 61.388 -80.978 871 HE2 TYR 109 HE2 TYR 109 -14.203 64.972 -79.681 872 HH TYR 109 HH TYR 109 -14.137 62.275 -81.928 873 H ASN 110 H ASN 110 -9.288 65.398 -80.208 874 HA ASN 110 HA ASN 110 -8.331 63.181 -81.720 875 HB2 ASN 110 HB2 ASN 110 -8.294 64.884 -83.579 876 HB3 ASN 110 HB3 ASN 110 -9.809 64.728 -82.700 877 HD21 ASN 110 HD22 ASN 110 -10.777 66.704 -82.652 878 HD22 ASN 110 HD21 ASN 110 -9.933 68.198 -82.309 879 H CYS 111 H CYS 111 -6.478 65.871 -80.304 880 HA CYS 111 HA CYS 111 -4.012 64.340 -80.836 881 HB2 CYS 111 HB2 CYS 111 -2.828 66.152 -81.904 882 HB3 CYS 111 HB3 CYS 111 -4.280 65.774 -82.836 883 HG CYS 111 HG CYS 111 -5.740 67.698 -81.876 884 H GLY 112 H GLY 112 -5.739 66.158 -78.620 885 HA2 GLY 112 HA2 GLY 112 -5.149 66.661 -76.407 886 HA3 GLY 112 HA3 GLY 112 -3.438 66.482 -76.789 887 H GLY 113 H GLY 113 -3.358 68.522 -75.499 888 HA2 GLY 113 HA2 GLY 113 -2.859 70.794 -75.476 889 HA3 GLY 113 HA3 GLY 113 -3.387 70.937 -77.150 890 H LYS 114 H LYS 114 -5.834 69.457 -75.557 891 HA LYS 114 HA LYS 114 -8.055 70.145 -75.206 892 HB2 LYS 114 HB2 LYS 114 -6.366 70.943 -72.823 893 HB3 LYS 114 HB3 LYS 114 -8.125 70.797 -72.789 894 HG2 LYS 114 HG2 LYS 114 -7.994 68.425 -73.402 895 HG3 LYS 114 HG3 LYS 114 -6.239 68.527 -73.561 896 HD2 LYS 114 HD2 LYS 114 -6.790 67.499 -71.448 897 HD3 LYS 114 HD3 LYS 114 -6.022 69.059 -71.161 898 HE2 LYS 114 HE2 LYS 114 -8.152 70.102 -70.641 899 HE3 LYS 114 HE3 LYS 114 -9.037 68.667 -71.167 900 HZ1 LYS 114 HZ1 LYS 114 -7.178 68.673 -68.859 901 HZ2 LYS 114 HZ2 LYS 114 -8.810 68.784 -68.735 902 HZ3 LYS 114 HZ3 LYS 114 -8.144 67.448 -69.362 903 H GLY 115 H GLY 115 -8.991 71.621 -76.477 904 HA2 GLY 115 HA2 GLY 115 -10.507 73.378 -76.356 905 HA3 GLY 115 HA3 GLY 115 -9.539 74.181 -75.136 906 H HIS 116 H HIS 116 -7.484 73.447 -77.793 907 HA HIS 116 HA HIS 116 -7.961 76.161 -78.932 908 HB2 HIS 116 HB2 HIS 116 -5.925 76.133 -79.999 909 HB3 HIS 116 HB3 HIS 116 -5.640 75.681 -78.327 910 HD1 HIS 116 HD1 HIS 116 -4.750 74.650 -81.756 911 HD2 HIS 116 HD2 HIS 116 -5.340 72.794 -78.034 912 HE1 HIS 116 HE1 HIS 116 -3.483 72.458 -81.846 913 H PHE 117 H PHE 117 -9.067 76.459 -80.620 914 HA PHE 117 HA PHE 117 -10.610 76.032 -82.256 915 HB2 PHE 117 HB2 PHE 117 -8.019 75.099 -83.522 916 HB3 PHE 117 HB3 PHE 117 -9.429 75.705 -84.379 917 HD1 PHE 117 HD2 PHE 117 -10.205 78.104 -83.986 918 HD2 PHE 117 HD1 PHE 117 -6.375 76.627 -82.667 919 HE1 PHE 117 HE2 PHE 117 -9.366 80.432 -83.804 920 HE2 PHE 117 HE1 PHE 117 -5.544 78.960 -82.489 921 HZ PHE 117 HZ PHE 117 -7.036 80.862 -83.057 922 H GLY 118 H GLY 118 -10.900 73.841 -80.548 923 HA2 GLY 118 HA2 GLY 118 -9.920 71.472 -81.173 924 HA3 GLY 118 HA3 GLY 118 -11.467 71.614 -80.343 925 H ASP 119 H ASP 119 -12.933 72.574 -82.662 926 HA ASP 119 HA ASP 119 -13.687 70.081 -83.914 927 HB2 ASP 119 HB2 ASP 119 -15.213 71.971 -83.337 928 HB3 ASP 119 HB3 ASP 119 -14.429 72.958 -84.558 929 H ASP 120 H ASP 120 -12.047 73.018 -85.164 930 HA ASP 120 HA ASP 120 -11.664 71.942 -87.858 931 HB2 ASP 120 HB2 ASP 120 -12.079 74.339 -87.382 932 HB3 ASP 120 HB3 ASP 120 -10.579 74.421 -86.473 933 H CYS 121 H CYS 121 -9.839 72.100 -84.892 934 HA CYS 121 HA CYS 121 -7.245 71.524 -85.962 935 HB2 CYS 121 HB2 CYS 121 -7.876 72.769 -83.833 936 HB3 CYS 121 HB3 CYS 121 -8.228 71.201 -83.100 937 HG CYS 121 HG CYS 121 -5.854 70.207 -83.758 938 H LYS 122 H LYS 122 -9.883 69.493 -85.809 939 HA LYS 122 HA LYS 122 -8.722 66.981 -85.029 940 HB2 LYS 122 HB2 LYS 122 -11.159 67.574 -85.088 941 HB3 LYS 122 HB3 LYS 122 -11.101 67.557 -86.849 942 HG2 LYS 122 HG2 LYS 122 -10.592 65.170 -86.866 943 HG3 LYS 122 HG3 LYS 122 -10.403 65.159 -85.101 944 HD2 LYS 122 HD2 LYS 122 -12.799 65.751 -84.845 945 HD3 LYS 122 HD3 LYS 122 -12.983 65.768 -86.611 946 HE2 LYS 122 HE2 LYS 122 -12.318 63.391 -86.711 947 HE3 LYS 122 HE3 LYS 122 -12.085 63.365 -84.968 948 HZ1 LYS 122 HZ1 LYS 122 -14.681 63.859 -86.318 949 HZ2 LYS 122 HZ2 LYS 122 -14.248 62.468 -85.589 950 HZ3 LYS 122 HZ3 LYS 122 -14.458 63.816 -84.698 951 H GLU 123 H GLU 123 -8.413 68.790 -87.983 952 HA GLU 123 HA GLU 123 -7.045 66.466 -89.287 953 HB2 GLU 123 HB2 GLU 123 -8.766 68.559 -90.656 954 HB3 GLU 123 HB3 GLU 123 -7.812 67.307 -91.458 955 HG2 GLU 123 HG2 GLU 123 -9.141 65.570 -90.206 956 HG3 GLU 123 HG3 GLU 123 -10.192 66.853 -89.618 957 H LYS 124 H LYS 124 -5.423 66.981 -90.842 958 HA LYS 124 HA LYS 124 -4.003 69.585 -90.519 959 HB2 LYS 124 HB2 LYS 124 -2.779 66.798 -90.384 960 HB3 LYS 124 HB3 LYS 124 -1.867 68.295 -90.563 961 HG2 LYS 124 HG2 LYS 124 -2.777 69.107 -88.387 962 HG3 LYS 124 HG3 LYS 124 -3.612 67.555 -88.176 963 HD2 LYS 124 HD2 LYS 124 -1.444 66.366 -88.251 964 HD3 LYS 124 HD3 LYS 124 -0.599 67.906 -88.493 965 HE2 LYS 124 HE2 LYS 124 -1.475 68.714 -86.313 966 HE3 LYS 124 HE3 LYS 124 -2.288 67.173 -86.068 967 HZ1 LYS 124 HZ1 LYS 124 -0.101 66.094 -86.086 968 HZ2 LYS 124 HZ2 LYS 124 0.648 67.528 -86.308 969 HZ3 LYS 124 HZ3 LYS 124 -0.156 67.233 -84.923 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -21.942 16.734 0.998 2 H2 LYS 1 H2 LYS 1 -22.434 15.910 -0.325 3 H3 LYS 1 H3 LYS 1 -21.310 17.090 -0.475 4 HA LYS 1 HA LYS 1 -20.281 14.928 -0.625 5 HB2 LYS 1 HB2 LYS 1 -19.129 16.954 0.441 6 HB3 LYS 1 HB3 LYS 1 -19.456 16.215 2.006 7 HG2 LYS 1 HG2 LYS 1 -18.092 14.247 1.365 8 HG3 LYS 1 HG3 LYS 1 -17.892 14.913 -0.269 9 HD2 LYS 1 HD2 LYS 1 -16.681 16.877 0.722 10 HD3 LYS 1 HD3 LYS 1 -16.900 16.173 2.322 11 HE2 LYS 1 HE2 LYS 1 -14.686 15.650 1.648 12 HE3 LYS 1 HE3 LYS 1 -15.608 14.158 1.587 13 HZ1 LYS 1 HZ1 LYS 1 -14.200 14.454 -0.376 14 HZ2 LYS 1 HZ2 LYS 1 -15.762 14.432 -0.836 15 HZ3 LYS 1 HZ3 LYS 1 -14.941 15.847 -0.765 16 H GLU 2 H GLU 2 -19.677 12.918 0.438 17 HA GLU 2 HA GLU 2 -21.998 11.628 1.527 18 HB2 GLU 2 HB2 GLU 2 -19.144 10.654 1.125 19 HB3 GLU 2 HB3 GLU 2 -20.520 9.619 1.508 20 HG2 GLU 2 HG2 GLU 2 -21.631 10.278 -0.594 21 HG3 GLU 2 HG3 GLU 2 -20.276 11.318 -1.006 22 H ALA 3 H ALA 3 -19.320 13.113 3.192 23 HA ALA 3 HA ALA 3 -19.285 11.202 5.369 24 HB1 ALA 3 HB1 ALA 3 -17.249 12.198 4.464 25 HB2 ALA 3 HB2 ALA 3 -17.784 13.809 4.991 26 HB3 ALA 3 HB3 ALA 3 -17.426 12.551 6.193 27 H ALA 4 H ALA 4 -20.497 11.166 7.098 28 HA ALA 4 HA ALA 4 -21.489 13.614 8.430 29 HB1 ALA 4 HB1 ALA 4 -22.512 12.058 10.023 30 HB2 ALA 4 HB2 ALA 4 -22.997 11.700 8.354 31 HB3 ALA 4 HB3 ALA 4 -21.810 10.674 9.172 32 HA PRO 5 HA PRO 5 -18.431 12.096 11.766 33 HB2 PRO 5 HB2 PRO 5 -16.466 10.254 11.240 34 HB3 PRO 5 HB3 PRO 5 -18.130 9.827 11.721 35 HG2 PRO 5 HG2 PRO 5 -17.050 10.014 8.865 36 HG3 PRO 5 HG3 PRO 5 -17.930 8.642 9.639 37 HD2 PRO 5 HD2 PRO 5 -19.129 10.434 8.100 38 HD3 PRO 5 HD3 PRO 5 -19.925 9.870 9.609 39 H LYS 6 H LYS 6 -16.945 12.393 8.588 40 HA LYS 6 HA LYS 6 -15.278 13.591 7.688 41 HB2 LYS 6 HB2 LYS 6 -16.749 15.314 8.362 42 HB3 LYS 6 HB3 LYS 6 -16.033 15.452 9.952 43 HG2 LYS 6 HG2 LYS 6 -14.238 15.856 7.568 44 HG3 LYS 6 HG3 LYS 6 -15.453 17.089 7.875 45 HD2 LYS 6 HD2 LYS 6 -13.574 16.152 10.068 46 HD3 LYS 6 HD3 LYS 6 -13.154 17.438 8.910 47 HE2 LYS 6 HE2 LYS 6 -14.820 18.881 9.687 48 HE3 LYS 6 HE3 LYS 6 -15.730 17.608 10.488 49 HZ1 LYS 6 HZ1 LYS 6 -13.878 17.435 12.103 50 HZ2 LYS 6 HZ2 LYS 6 -13.100 18.659 11.350 51 HZ3 LYS 6 HZ3 LYS 6 -14.521 18.934 12.096 52 H CYS 7 H CYS 7 -14.361 13.743 11.136 53 HA CYS 7 HA CYS 7 -11.932 12.232 10.846 54 HB2 CYS 7 HB2 CYS 7 -11.748 15.225 10.709 55 HB3 CYS 7 HB3 CYS 7 -10.654 14.429 11.843 56 HG CYS 7 HG CYS 7 -11.105 13.445 8.746 57 H ASN 8 H ASN 8 -11.000 11.760 12.969 58 HA ASN 8 HA ASN 8 -13.073 11.666 14.936 59 HB2 ASN 8 HB2 ASN 8 -11.700 10.283 16.201 60 HB3 ASN 8 HB3 ASN 8 -11.273 9.894 14.538 61 HD21 ASN 8 HD22 ASN 8 -9.654 9.185 16.720 62 HD22 ASN 8 HD21 ASN 8 -8.161 10.105 16.545 63 H ASN 9 H ASN 9 -10.269 13.769 14.712 64 HA ASN 9 HA ASN 9 -11.394 15.512 16.838 65 HB2 ASN 9 HB2 ASN 9 -9.552 15.468 18.207 66 HB3 ASN 9 HB3 ASN 9 -9.612 13.790 17.705 67 HD21 ASN 9 HD22 ASN 9 -8.038 13.197 15.839 68 HD22 ASN 9 HD21 ASN 9 -6.523 14.083 15.796 69 H CYS 10 H CYS 10 -8.961 15.198 14.242 70 HA CYS 10 HA CYS 10 -8.766 18.109 13.862 71 HB2 CYS 10 HB2 CYS 10 -7.027 17.427 12.224 72 HB3 CYS 10 HB3 CYS 10 -6.768 16.763 13.831 73 HG CYS 10 HG CYS 10 -6.097 14.962 12.133 74 H SER 11 H SER 11 -8.464 17.937 10.910 75 HA SER 11 HA SER 11 -11.268 17.434 10.109 76 HB2 SER 11 HB2 SER 11 -10.836 19.810 11.135 77 HB3 SER 11 HB3 SER 11 -10.133 20.170 9.545 78 HG SER 11 HG SER 11 -12.474 20.412 9.788 79 H GLN 12 H GLN 12 -11.715 17.100 8.080 80 HA GLN 12 HA GLN 12 -11.625 16.820 5.853 81 HB2 GLN 12 HB2 GLN 12 -10.231 19.476 6.201 82 HB3 GLN 12 HB3 GLN 12 -10.813 18.882 4.645 83 HG2 GLN 12 HG2 GLN 12 -13.091 18.869 5.341 84 HG3 GLN 12 HG3 GLN 12 -12.680 19.104 7.037 85 HE21 GLN 12 HE22 GLN 12 -11.926 21.200 7.754 86 HE22 GLN 12 HE21 GLN 12 -12.235 22.632 6.773 87 H ARG 13 H ARG 13 -9.851 15.121 6.855 88 HA ARG 13 HA ARG 13 -7.784 14.945 4.706 89 HB2 ARG 13 HB2 ARG 13 -6.932 15.616 6.954 90 HB3 ARG 13 HB3 ARG 13 -7.509 14.114 7.621 91 HG2 ARG 13 HG2 ARG 13 -5.082 14.126 7.234 92 HG3 ARG 13 HG3 ARG 13 -5.839 12.860 6.291 93 HD2 ARG 13 HD2 ARG 13 -4.134 13.973 4.960 94 HD3 ARG 13 HD3 ARG 13 -5.708 14.273 4.258 95 HE ARG 13 HE ARG 13 -5.529 16.547 4.753 96 HH11 ARG 13 HH11 ARG 13 -2.879 14.912 6.387 97 HH12 ARG 13 HH12 ARG 13 -2.118 16.421 6.845 98 HH21 ARG 13 HH21 ARG 13 -4.513 18.414 5.364 99 HH22 ARG 13 HH22 ARG 13 -3.025 18.353 6.274 100 H GLY 14 H GLY 14 -10.598 13.723 5.140 101 HA2 GLY 14 HA2 GLY 14 -11.606 11.938 4.087 102 HA3 GLY 14 HA3 GLY 14 -10.015 11.349 3.620 103 H HIS 15 H HIS 15 -8.862 10.789 6.100 104 HA HIS 15 HA HIS 15 -10.173 8.392 6.986 105 HB2 HIS 15 HB2 HIS 15 -8.334 8.156 8.520 106 HB3 HIS 15 HB3 HIS 15 -7.793 8.520 6.898 107 HD1 HIS 15 HD1 HIS 15 -5.678 8.962 8.998 108 HD2 HIS 15 HD2 HIS 15 -8.534 11.887 8.037 109 HE1 HIS 15 HE1 HIS 15 -4.730 11.184 9.782 110 H LEU 16 H LEU 16 -12.232 9.072 7.534 111 HA LEU 16 HA LEU 16 -12.893 10.824 9.657 112 HB2 LEU 16 HB2 LEU 16 -15.074 9.925 9.545 113 HB3 LEU 16 HB3 LEU 16 -14.457 10.281 7.956 114 HG LEU 16 HG LEU 16 -15.894 8.333 7.951 115 HD11 LEU 16 HD11 LEU 16 -14.641 6.835 6.631 116 HD12 LEU 16 HD12 LEU 16 -14.074 8.471 6.284 117 HD13 LEU 16 HD13 LEU 16 -13.096 7.374 7.302 118 HD21 LEU 16 HD21 LEU 16 -13.851 6.807 9.587 119 HD22 LEU 16 HD22 LEU 16 -15.407 7.438 10.215 120 HD23 LEU 16 HD23 LEU 16 -15.384 6.228 8.929 121 H LYS 17 H LYS 17 -14.444 9.789 11.499 122 HA LYS 17 HA LYS 17 -13.084 9.487 13.676 123 HB2 LYS 17 HB2 LYS 17 -15.672 9.224 13.175 124 HB3 LYS 17 HB3 LYS 17 -15.395 7.538 13.523 125 HG2 LYS 17 HG2 LYS 17 -14.739 9.917 15.311 126 HG3 LYS 17 HG3 LYS 17 -16.142 8.876 15.471 127 HD2 LYS 17 HD2 LYS 17 -13.244 8.052 15.966 128 HD3 LYS 17 HD3 LYS 17 -14.476 8.404 17.170 129 HE2 LYS 17 HE2 LYS 17 -15.863 6.514 16.242 130 HE3 LYS 17 HE3 LYS 17 -14.515 6.085 15.198 131 HZ1 LYS 17 HZ1 LYS 17 -14.472 4.793 17.239 132 HZ2 LYS 17 HZ2 LYS 17 -13.163 5.763 17.223 133 HZ3 LYS 17 HZ3 LYS 17 -14.447 6.127 18.164 134 H LYS 18 H LYS 18 -14.153 6.356 12.370 135 HA LYS 18 HA LYS 18 -12.256 4.781 13.877 136 HB2 LYS 18 HB2 LYS 18 -13.270 2.889 12.732 137 HB3 LYS 18 HB3 LYS 18 -14.513 3.994 13.311 138 HG2 LYS 18 HG2 LYS 18 -14.854 4.896 11.071 139 HG3 LYS 18 HG3 LYS 18 -13.467 3.976 10.446 140 HD2 LYS 18 HD2 LYS 18 -14.675 1.853 10.956 141 HD3 LYS 18 HD3 LYS 18 -16.053 2.800 11.526 142 HE2 LYS 18 HE2 LYS 18 -16.524 2.100 9.277 143 HE3 LYS 18 HE3 LYS 18 -16.268 3.840 9.278 144 HZ1 LYS 18 HZ1 LYS 18 -15.111 2.768 7.430 145 HZ2 LYS 18 HZ2 LYS 18 -14.032 3.444 8.417 146 HZ3 LYS 18 HZ3 LYS 18 -14.232 1.834 8.453 147 H ASP 19 H ASP 19 -11.955 6.240 10.761 148 HA ASP 19 HA ASP 19 -9.834 4.427 9.787 149 HB2 ASP 19 HB2 ASP 19 -11.307 6.834 8.681 150 HB3 ASP 19 HB3 ASP 19 -9.824 6.257 7.946 151 H CYS 20 H CYS 20 -10.127 7.527 11.403 152 HA CYS 20 HA CYS 20 -7.752 8.752 10.714 153 HB2 CYS 20 HB2 CYS 20 -9.769 9.716 11.882 154 HB3 CYS 20 HB3 CYS 20 -9.136 9.059 13.399 155 HG CYS 20 HG CYS 20 -8.347 11.442 13.503 156 HA PRO 21 HA PRO 21 -5.336 7.142 14.457 157 HB2 PRO 21 HB2 PRO 21 -6.096 5.006 15.967 158 HB3 PRO 21 HB3 PRO 21 -6.687 6.669 16.251 159 HG2 PRO 21 HG2 PRO 21 -8.076 4.444 14.725 160 HG3 PRO 21 HG3 PRO 21 -8.755 5.511 15.993 161 HD2 PRO 21 HD2 PRO 21 -9.098 6.004 13.343 162 HD3 PRO 21 HD3 PRO 21 -8.896 7.327 14.531 163 H HIS 22 H HIS 22 -3.607 6.353 13.457 164 HA HIS 22 HA HIS 22 -3.624 3.669 12.183 165 HB2 HIS 22 HB2 HIS 22 -2.601 5.657 11.024 166 HB3 HIS 22 HB3 HIS 22 -1.364 5.692 12.281 167 HD1 HIS 22 HD1 HIS 22 -2.751 3.107 9.710 168 HD2 HIS 22 HD2 HIS 22 0.763 4.230 11.721 169 HE1 HIS 22 HE1 HIS 22 -0.920 1.583 8.846 170 H ILE 23 H ILE 23 -1.637 2.287 12.689 171 HA ILE 23 HA ILE 23 -1.671 1.764 15.556 172 HB ILE 23 HB ILE 23 -0.252 0.155 13.421 173 HG12 ILE 23 HG12 ILE 23 -3.130 0.035 14.421 174 HG13 ILE 23 HG13 ILE 23 -2.585 0.328 12.771 175 HG21 ILE 23 HG21 ILE 23 -0.344 -1.641 15.073 176 HG22 ILE 23 HG22 ILE 23 0.389 -0.252 15.854 177 HG23 ILE 23 HG23 ILE 23 -1.311 -0.640 16.178 178 HD11 ILE 23 HD11 ILE 23 -1.657 -2.003 12.701 179 HD12 ILE 23 HD12 ILE 23 -2.432 -2.296 14.282 180 HD13 ILE 23 HD13 ILE 23 -3.421 -1.897 12.875 181 H ILE 24 H ILE 24 -0.667 3.829 15.985 182 HA ILE 24 HA ILE 24 2.211 3.454 16.542 183 HB ILE 24 HB ILE 24 1.273 6.271 16.143 184 HG12 ILE 24 HG12 ILE 24 2.175 4.663 13.729 185 HG13 ILE 24 HG13 ILE 24 0.518 5.208 14.021 186 HG21 ILE 24 HG21 ILE 24 3.510 5.715 17.095 187 HG22 ILE 24 HG22 ILE 24 3.915 4.845 15.601 188 HG23 ILE 24 HG23 ILE 24 3.656 6.604 15.591 189 HD11 ILE 24 HD11 ILE 24 2.904 7.028 13.563 190 HD12 ILE 24 HD12 ILE 24 1.503 6.764 12.511 191 HD13 ILE 24 HD13 ILE 24 1.288 7.570 14.073 192 H CYS 25 H CYS 25 2.845 4.231 18.584 193 HA CYS 25 HA CYS 25 0.774 4.523 20.594 194 HB2 CYS 25 HB2 CYS 25 2.986 3.392 20.881 195 HB3 CYS 25 HB3 CYS 25 3.767 4.984 20.803 196 HG CYS 25 HG CYS 25 1.487 3.848 22.911 197 H SER 26 H SER 26 -0.189 6.321 21.287 198 HA SER 26 HA SER 26 -0.096 8.556 19.633 199 HB2 SER 26 HB2 SER 26 -2.049 7.726 20.929 200 HB3 SER 26 HB3 SER 26 -1.351 8.474 22.383 201 HG SER 26 HG SER 26 -2.727 9.885 21.207 202 H TYR 27 H TYR 27 0.918 10.422 19.568 203 HA TYR 27 HA TYR 27 2.550 11.951 19.881 204 HB2 TYR 27 HB2 TYR 27 1.417 12.178 22.673 205 HB3 TYR 27 HB3 TYR 27 2.228 13.428 21.744 206 HD1 TYR 27 HD2 TYR 27 1.112 14.011 19.385 207 HD2 TYR 27 HD1 TYR 27 -0.929 12.185 22.718 208 HE1 TYR 27 HE2 TYR 27 -1.073 14.829 18.506 209 HE2 TYR 27 HE1 TYR 27 -3.101 13.003 21.839 210 HH TYR 27 HH TYR 27 -4.132 14.183 20.114 211 H CYS 28 H CYS 28 3.503 9.297 20.395 212 HA CYS 28 HA CYS 28 5.714 9.747 22.374 213 HB2 CYS 28 HB2 CYS 28 3.718 8.468 23.183 214 HB3 CYS 28 HB3 CYS 28 3.975 7.279 21.898 215 HG CYS 28 HG CYS 28 5.902 8.136 24.428 216 H GLY 29 H GLY 29 4.888 8.559 19.191 217 HA2 GLY 29 HA2 GLY 29 7.680 7.936 18.536 218 HA3 GLY 29 HA3 GLY 29 6.590 6.549 18.593 219 H ALA 30 H ALA 30 7.832 7.051 16.299 220 HA ALA 30 HA ALA 30 5.797 8.159 14.429 221 HB1 ALA 30 HB1 ALA 30 8.715 7.407 13.990 222 HB2 ALA 30 HB2 ALA 30 7.621 8.099 12.775 223 HB3 ALA 30 HB3 ALA 30 8.088 9.057 14.192 224 H THR 31 H THR 31 5.247 6.826 12.574 225 HA THR 31 HA THR 31 4.542 4.155 13.225 226 HB THR 31 HB THR 31 3.333 5.473 11.595 227 HG1 THR 31 HG1 THR 31 3.100 3.769 10.187 228 HG21 THR 31 HG21 THR 31 4.080 5.796 9.310 229 HG22 THR 31 HG22 THR 31 5.207 6.611 10.391 230 HG23 THR 31 HG23 THR 31 5.651 5.053 9.655 231 H ASP 32 H ASP 32 7.432 5.364 11.604 232 HA ASP 32 HA ASP 32 8.449 2.608 11.152 233 HB2 ASP 32 HB2 ASP 32 8.421 4.323 9.335 234 HB3 ASP 32 HB3 ASP 32 9.545 5.294 10.276 235 H ASP 33 H ASP 33 8.604 4.848 13.671 236 HA ASP 33 HA ASP 33 11.092 3.721 14.756 237 HB2 ASP 33 HB2 ASP 33 11.832 5.588 13.301 238 HB3 ASP 33 HB3 ASP 33 10.854 6.708 14.238 239 H HIS 34 H HIS 34 9.800 2.839 16.291 240 HA HIS 34 HA HIS 34 9.307 4.443 18.669 241 HB2 HIS 34 HB2 HIS 34 7.169 4.701 17.485 242 HB3 HIS 34 HB3 HIS 34 7.061 2.965 17.233 243 HD1 HIS 34 HD1 HIS 34 5.670 1.715 19.000 244 HD2 HIS 34 HD2 HIS 34 7.348 5.304 20.405 245 HE1 HIS 34 HE1 HIS 34 5.016 1.908 21.447 246 H TYR 35 H TYR 35 8.470 2.836 20.410 247 HA TYR 35 HA TYR 35 8.924 1.351 21.897 248 HB2 TYR 35 HB2 TYR 35 8.220 -0.756 21.555 249 HB3 TYR 35 HB3 TYR 35 7.422 0.141 20.290 250 HD1 TYR 35 HD1 TYR 35 10.134 -2.274 21.074 251 HD2 TYR 35 HD2 TYR 35 7.798 -0.432 17.952 252 HE1 TYR 35 HE1 TYR 35 10.943 -3.983 19.454 253 HE2 TYR 35 HE2 TYR 35 8.602 -2.146 16.340 254 HH TYR 35 HH TYR 35 9.935 -4.045 16.092 255 H SER 36 H SER 36 11.382 1.100 19.398 256 HA SER 36 HA SER 36 13.438 -0.088 21.047 257 HB2 SER 36 HB2 SER 36 15.037 0.927 19.525 258 HB3 SER 36 HB3 SER 36 13.703 0.212 18.603 259 HG SER 36 HG SER 36 13.039 2.156 18.101 260 H ARG 37 H ARG 37 15.336 1.207 21.845 261 HA ARG 37 HA ARG 37 16.058 2.325 23.685 262 HB2 ARG 37 HB2 ARG 37 15.767 4.203 21.924 263 HB3 ARG 37 HB3 ARG 37 14.368 4.699 22.868 264 HG2 ARG 37 HG2 ARG 37 15.918 4.927 24.880 265 HG3 ARG 37 HG3 ARG 37 17.269 4.540 23.800 266 HD2 ARG 37 HD2 ARG 37 16.782 6.492 22.416 267 HD3 ARG 37 HD3 ARG 37 15.328 6.848 23.336 268 HE ARG 37 HE ARG 37 18.102 7.432 24.079 269 HH11 ARG 37 HH11 ARG 37 14.858 7.106 25.396 270 HH12 ARG 37 HH12 ARG 37 15.219 8.134 26.768 271 HH21 ARG 37 HH21 ARG 37 18.490 8.715 25.843 272 HH22 ARG 37 HH22 ARG 37 17.230 9.013 27.014 273 H HIS 38 H HIS 38 13.665 0.720 23.824 274 HA HIS 38 HA HIS 38 11.809 0.175 24.919 275 HB2 HIS 38 HB2 HIS 38 13.492 -0.224 26.646 276 HB3 HIS 38 HB3 HIS 38 13.197 1.383 27.315 277 HD1 HIS 38 HD1 HIS 38 10.772 1.718 28.529 278 HD2 HIS 38 HD2 HIS 38 11.625 -2.130 27.094 279 HE1 HIS 38 HE1 HIS 38 9.026 0.178 29.549 280 H CYS 39 H CYS 39 10.250 1.247 23.939 281 HA CYS 39 HA CYS 39 8.379 2.356 23.718 282 HB2 CYS 39 HB2 CYS 39 8.052 1.713 26.061 283 HB3 CYS 39 HB3 CYS 39 8.493 3.330 26.566 284 HG CYS 39 HG CYS 39 6.027 2.187 24.737 285 HA PRO 40 HA PRO 40 8.303 6.756 23.231 286 HB2 PRO 40 HB2 PRO 40 9.463 8.702 24.796 287 HB3 PRO 40 HB3 PRO 40 7.938 7.867 25.223 288 HG2 PRO 40 HG2 PRO 40 10.742 7.135 26.138 289 HG3 PRO 40 HG3 PRO 40 9.285 7.411 27.152 290 HD2 PRO 40 HD2 PRO 40 9.944 4.933 26.476 291 HD3 PRO 40 HD3 PRO 40 8.235 5.457 26.331 292 H LYS 41 H LYS 41 9.176 7.830 21.626 293 HA LYS 41 HA LYS 41 12.129 7.961 21.254 294 HB2 LYS 41 HB2 LYS 41 10.913 5.795 20.380 295 HB3 LYS 41 HB3 LYS 41 10.250 6.840 19.141 296 HG2 LYS 41 HG2 LYS 41 12.132 5.723 18.233 297 HG3 LYS 41 HG3 LYS 41 12.629 7.407 18.457 298 HD2 LYS 41 HD2 LYS 41 13.756 6.716 20.617 299 HD3 LYS 41 HD3 LYS 41 13.309 5.044 20.282 300 HE2 LYS 41 HE2 LYS 41 15.061 6.801 18.505 301 HE3 LYS 41 HE3 LYS 41 15.672 5.659 19.703 302 HZ1 LYS 41 HZ1 LYS 41 14.116 4.953 17.296 303 HZ2 LYS 41 HZ2 LYS 41 15.687 4.622 17.541 304 HZ3 LYS 41 HZ3 LYS 41 14.525 3.889 18.432 305 H ALA 42 H ALA 42 8.967 9.304 20.337 306 HA ALA 42 HA ALA 42 10.307 11.628 19.101 307 HB1 ALA 42 HB1 ALA 42 9.171 11.330 16.951 308 HB2 ALA 42 HB2 ALA 42 10.130 9.895 17.307 309 HB3 ALA 42 HB3 ALA 42 8.370 9.860 17.536 310 H ILE 43 H ILE 43 8.671 13.170 18.180 311 HA ILE 43 HA ILE 43 7.020 14.631 18.322 312 HB ILE 43 HB ILE 43 5.095 12.449 19.081 313 HG12 ILE 43 HG12 ILE 43 6.501 12.871 16.413 314 HG13 ILE 43 HG13 ILE 43 6.482 11.406 17.399 315 HG21 ILE 43 HG21 ILE 43 4.396 14.917 18.795 316 HG22 ILE 43 HG22 ILE 43 4.862 14.755 17.097 317 HG23 ILE 43 HG23 ILE 43 3.553 13.759 17.764 318 HD11 ILE 43 HD11 ILE 43 4.146 12.537 15.832 319 HD12 ILE 43 HD12 ILE 43 5.062 11.059 15.521 320 HD13 ILE 43 HD13 ILE 43 4.039 11.166 16.970 321 H GLN 44 H GLN 44 8.314 15.418 20.173 322 HA GLN 44 HA GLN 44 6.441 16.053 22.388 323 HB2 GLN 44 HB2 GLN 44 8.269 16.118 23.989 324 HB3 GLN 44 HB3 GLN 44 8.075 14.499 23.321 325 HG2 GLN 44 HG2 GLN 44 10.057 14.679 22.007 326 HG3 GLN 44 HG3 GLN 44 10.149 16.428 22.208 327 HE21 GLN 44 HE22 GLN 44 10.696 17.276 24.388 328 HE22 GLN 44 HE21 GLN 44 11.655 16.280 25.475 329 H CYS 45 H CYS 45 7.064 18.102 23.572 330 HA CYS 45 HA CYS 45 7.817 20.289 21.802 331 HB2 CYS 45 HB2 CYS 45 7.316 20.053 24.793 332 HB3 CYS 45 HB3 CYS 45 7.700 21.579 23.982 333 HG CYS 45 HG CYS 45 5.723 21.577 22.325 334 H SER 46 H SER 46 9.611 21.749 22.249 335 HA SER 46 HA SER 46 12.116 20.424 22.407 336 HB2 SER 46 HB2 SER 46 11.532 23.397 22.529 337 HB3 SER 46 HB3 SER 46 13.056 22.626 22.053 338 HG SER 46 HG SER 46 11.741 23.090 20.256 339 H LYS 47 H LYS 47 10.283 22.041 24.906 340 HA LYS 47 HA LYS 47 12.585 21.834 26.819 341 HB2 LYS 47 HB2 LYS 47 10.329 23.873 26.751 342 HB3 LYS 47 HB3 LYS 47 11.560 23.739 28.010 343 HG2 LYS 47 HG2 LYS 47 13.337 24.143 26.283 344 HG3 LYS 47 HG3 LYS 47 12.072 24.374 25.073 345 HD2 LYS 47 HD2 LYS 47 12.815 26.532 25.809 346 HD3 LYS 47 HD3 LYS 47 11.166 26.282 26.397 347 HE2 LYS 47 HE2 LYS 47 12.050 25.687 28.635 348 HE3 LYS 47 HE3 LYS 47 13.698 25.853 28.042 349 HZ1 LYS 47 HZ1 LYS 47 11.712 28.052 28.203 350 HZ2 LYS 47 HZ2 LYS 47 12.983 27.847 29.201 351 HZ3 LYS 47 HZ3 LYS 47 13.238 28.214 27.633 352 H CYS 48 H CYS 48 9.668 20.341 26.208 353 HA CYS 48 HA CYS 48 9.605 19.192 28.889 354 HB2 CYS 48 HB2 CYS 48 7.176 19.589 29.222 355 HB3 CYS 48 HB3 CYS 48 8.149 21.060 29.313 356 HG CYS 48 HG CYS 48 7.647 21.952 26.974 357 H ASP 49 H ASP 49 8.203 17.303 29.052 358 HA ASP 49 HA ASP 49 8.604 15.642 26.736 359 HB2 ASP 49 HB2 ASP 49 7.854 13.833 28.162 360 HB3 ASP 49 HB3 ASP 49 9.102 14.800 28.925 361 H GLU 50 H GLU 50 7.232 14.645 25.458 362 HA GLU 50 HA GLU 50 5.624 14.475 23.952 363 HB2 GLU 50 HB2 GLU 50 3.496 14.856 26.015 364 HB3 GLU 50 HB3 GLU 50 3.490 13.843 24.585 365 HG2 GLU 50 HG2 GLU 50 5.044 13.341 27.162 366 HG3 GLU 50 HG3 GLU 50 3.574 12.561 26.656 367 H VAL 51 H VAL 51 4.146 15.522 22.514 368 HA VAL 51 HA VAL 51 3.448 18.376 23.064 369 HB VAL 51 HB VAL 51 2.496 18.468 20.868 370 HG11 VAL 51 HG11 VAL 51 5.178 17.080 20.581 371 HG12 VAL 51 HG12 VAL 51 4.427 18.252 19.485 372 HG13 VAL 51 HG13 VAL 51 4.959 18.781 21.086 373 HG21 VAL 51 HG21 VAL 51 3.141 15.501 20.604 374 HG22 VAL 51 HG22 VAL 51 1.530 16.257 20.595 375 HG23 VAL 51 HG23 VAL 51 2.644 16.569 19.269 376 H GLY 52 H GLY 52 2.347 15.329 23.701 377 HA2 GLY 52 HA2 GLY 52 -0.349 15.267 22.959 378 HA3 GLY 52 HA3 GLY 52 0.472 14.170 24.071 379 H HIS 53 H HIS 53 -0.187 17.612 24.524 380 HA HIS 53 HA HIS 53 -2.023 17.098 26.826 381 HB2 HIS 53 HB2 HIS 53 -0.752 18.876 28.049 382 HB3 HIS 53 HB3 HIS 53 0.160 17.422 27.714 383 HD1 HIS 53 HD1 HIS 53 -0.137 20.087 24.932 384 HD2 HIS 53 HD2 HIS 53 2.545 18.494 27.752 385 HE1 HIS 53 HE1 HIS 53 2.177 20.842 24.231 386 H TYR 54 H TYR 54 -1.745 20.222 27.117 387 HA TYR 54 HA TYR 54 -4.245 20.883 26.168 388 HB2 TYR 54 HB2 TYR 54 -2.986 22.157 27.845 389 HB3 TYR 54 HB3 TYR 54 -1.903 22.761 26.598 390 HD1 TYR 54 HD1 TYR 54 -5.495 22.705 27.670 391 HD2 TYR 54 HD2 TYR 54 -2.481 24.704 25.319 392 HE1 TYR 54 HE1 TYR 54 -7.091 24.549 27.192 393 HE2 TYR 54 HE2 TYR 54 -4.087 26.552 24.849 394 HH TYR 54 HH TYR 54 -7.370 26.586 26.086 395 H ARG 55 H ARG 55 -5.138 21.222 24.363 396 HA ARG 55 HA ARG 55 -5.574 21.191 22.137 397 HB2 ARG 55 HB2 ARG 55 -3.805 23.648 22.325 398 HB3 ARG 55 HB3 ARG 55 -4.855 23.263 20.946 399 HG2 ARG 55 HG2 ARG 55 -6.835 23.335 22.426 400 HG3 ARG 55 HG3 ARG 55 -5.796 23.709 23.806 401 HD2 ARG 55 HD2 ARG 55 -6.734 25.786 23.030 402 HD3 ARG 55 HD3 ARG 55 -5.021 25.776 22.658 403 HE ARG 55 HE ARG 55 -5.480 25.807 20.385 404 HH11 ARG 55 HH21 ARG 55 -8.508 25.125 22.033 405 HH12 ARG 55 HH22 ARG 55 -9.445 25.285 20.562 406 HH21 ARG 55 HH11 ARG 55 -6.727 25.984 18.557 407 HH22 ARG 55 HH12 ARG 55 -8.454 25.764 18.650 408 H SER 56 H SER 56 -3.341 19.511 22.870 409 HA SER 56 HA SER 56 -1.466 18.515 22.258 410 HB2 SER 56 HB2 SER 56 -1.506 17.334 20.116 411 HB3 SER 56 HB3 SER 56 -3.004 17.215 21.041 412 HG SER 56 HG SER 56 -2.562 18.857 18.822 413 H GLN 57 H GLN 57 -1.186 21.391 22.152 414 HA GLN 57 HA GLN 57 1.191 21.617 20.390 415 HB2 GLN 57 HB2 GLN 57 0.411 23.576 19.270 416 HB3 GLN 57 HB3 GLN 57 -0.769 22.292 19.073 417 HG2 GLN 57 HG2 GLN 57 -2.062 23.386 21.028 418 HG3 GLN 57 HG3 GLN 57 -0.976 24.763 20.842 419 HE21 GLN 57 HE22 GLN 57 -3.348 22.767 19.044 420 HE22 GLN 57 HE21 GLN 57 -3.784 24.023 17.888 421 H CYS 58 H CYS 58 -0.233 22.572 23.372 422 HA CYS 58 HA CYS 58 0.909 23.118 25.200 423 HB2 CYS 58 HB2 CYS 58 3.075 22.770 23.862 424 HB3 CYS 58 HB3 CYS 58 3.164 24.528 23.834 425 HG CYS 58 HG CYS 58 2.915 24.814 26.465 426 HA PRO 59 HA PRO 59 1.118 27.698 25.493 427 HB2 PRO 59 HB2 PRO 59 0.796 29.532 23.509 428 HB3 PRO 59 HB3 PRO 59 2.316 28.622 23.759 429 HG2 PRO 59 HG2 PRO 59 0.054 27.962 21.843 430 HG3 PRO 59 HG3 PRO 59 1.805 28.090 21.476 431 HD2 PRO 59 HD2 PRO 59 0.624 25.705 21.981 432 HD3 PRO 59 HD3 PRO 59 2.280 26.065 22.582 433 H HIS 60 H HIS 60 -0.254 29.443 26.069 434 HA HIS 60 HA HIS 60 -2.973 28.764 26.467 435 HB2 HIS 60 HB2 HIS 60 -1.735 30.149 28.015 436 HB3 HIS 60 HB3 HIS 60 -1.439 31.366 26.778 437 HD1 HIS 60 HD1 HIS 60 -4.443 29.983 28.806 438 HD2 HIS 60 HD2 HIS 60 -3.222 33.274 26.500 439 HE1 HIS 60 HE1 HIS 60 -6.295 31.708 28.986 440 H LYS 61 H LYS 61 -4.874 29.485 25.678 441 HA LYS 61 HA LYS 61 -5.049 31.567 23.612 442 HB2 LYS 61 HB2 LYS 61 -4.918 29.327 22.442 443 HB3 LYS 61 HB3 LYS 61 -6.413 28.862 23.259 444 HG2 LYS 61 HG2 LYS 61 -7.602 30.741 22.151 445 HG3 LYS 61 HG3 LYS 61 -6.077 31.257 21.398 446 HD2 LYS 61 HD2 LYS 61 -5.948 29.061 20.227 447 HD3 LYS 61 HD3 LYS 61 -7.509 28.603 20.919 448 HE2 LYS 61 HE2 LYS 61 -7.005 31.025 19.135 449 HE3 LYS 61 HE3 LYS 61 -7.608 29.480 18.561 450 HZ1 LYS 61 HZ1 LYS 61 -9.005 31.226 20.507 451 HZ2 LYS 61 HZ2 LYS 61 -9.415 31.023 18.945 452 HZ3 LYS 61 HZ3 LYS 61 -9.560 29.775 19.983 453 H TRP 62 H TRP 62 -7.110 32.599 23.553 454 HA TRP 62 HA TRP 62 -8.424 32.786 26.090 455 HB2 TRP 62 HB2 TRP 62 -9.814 34.430 25.083 456 HB3 TRP 62 HB3 TRP 62 -8.180 34.653 24.496 457 HD1 TRP 62 HD1 TRP 62 -11.692 33.901 23.359 458 HE1 TRP 62 HE1 TRP 62 -11.841 33.869 20.814 459 HE3 TRP 62 HE3 TRP 62 -6.692 34.153 22.227 460 HZ2 TRP 62 HZ2 TRP 62 -10.062 33.881 18.569 461 HZ3 TRP 62 HZ3 TRP 62 -5.964 34.101 19.859 462 HH2 TRP 62 HH2 TRP 62 -7.627 33.964 18.029 463 H LYS 63 H LYS 63 -10.547 32.349 26.693 464 HA LYS 63 HA LYS 63 -11.918 30.085 25.303 465 HB2 LYS 63 HB2 LYS 63 -10.463 29.658 27.409 466 HB3 LYS 63 HB3 LYS 63 -11.776 30.406 28.312 467 HG2 LYS 63 HG2 LYS 63 -13.334 28.640 27.415 468 HG3 LYS 63 HG3 LYS 63 -11.978 27.953 26.501 469 HD2 LYS 63 HD2 LYS 63 -10.762 27.564 28.650 470 HD3 LYS 63 HD3 LYS 63 -12.160 28.204 29.536 471 HE2 LYS 63 HE2 LYS 63 -13.583 26.421 28.550 472 HE3 LYS 63 HE3 LYS 63 -12.191 25.793 27.677 473 HZ1 LYS 63 HZ1 LYS 63 -12.453 25.891 30.632 474 HZ2 LYS 63 HZ2 LYS 63 -12.541 24.551 29.711 475 HZ3 LYS 63 HZ3 LYS 63 -11.129 25.352 29.839 476 H LYS 64 H LYS 64 -12.486 32.985 25.185 477 HA LYS 64 HA LYS 64 -14.766 33.628 26.823 478 HB2 LYS 64 HB2 LYS 64 -13.706 34.968 24.302 479 HB3 LYS 64 HB3 LYS 64 -14.921 35.648 25.387 480 HG2 LYS 64 HG2 LYS 64 -13.324 35.568 27.274 481 HG3 LYS 64 HG3 LYS 64 -12.059 34.969 26.200 482 HD2 LYS 64 HD2 LYS 64 -13.489 37.641 25.880 483 HD3 LYS 64 HD3 LYS 64 -11.935 37.410 26.686 484 HE2 LYS 64 HE2 LYS 64 -10.986 36.493 24.570 485 HE3 LYS 64 HE3 LYS 64 -12.516 36.809 23.756 486 HZ1 LYS 64 HZ1 LYS 64 -10.935 38.613 23.405 487 HZ2 LYS 64 HZ2 LYS 64 -12.206 39.178 24.256 488 HZ3 LYS 64 HZ3 LYS 64 -10.788 38.874 25.003 489 H VAL 65 H VAL 65 -14.648 31.910 23.860 490 HA VAL 65 HA VAL 65 -17.590 31.636 23.835 491 HB VAL 65 HB VAL 65 -17.444 33.364 22.271 492 HG11 VAL 65 HG11 VAL 65 -15.059 31.995 20.966 493 HG12 VAL 65 HG12 VAL 65 -15.910 33.415 20.324 494 HG13 VAL 65 HG13 VAL 65 -15.052 33.534 21.858 495 HG21 VAL 65 HG21 VAL 65 -18.728 31.355 21.467 496 HG22 VAL 65 HG22 VAL 65 -18.135 32.420 20.185 497 HG23 VAL 65 HG23 VAL 65 -17.290 30.904 20.498 498 H GLN 66 H GLN 66 -18.205 29.572 23.494 499 HA GLN 66 HA GLN 66 -16.089 27.559 23.020 500 HB2 GLN 66 HB2 GLN 66 -18.938 26.911 23.747 501 HB3 GLN 66 HB3 GLN 66 -17.474 25.987 24.041 502 HG2 GLN 66 HG2 GLN 66 -18.519 28.413 25.508 503 HG3 GLN 66 HG3 GLN 66 -18.206 26.812 26.152 504 HE21 GLN 66 HE22 GLN 66 -17.230 29.625 26.880 505 HE22 GLN 66 HE21 GLN 66 -15.480 29.495 26.854 506 H CYS 67 H CYS 67 -18.174 29.186 21.063 507 HA CYS 67 HA CYS 67 -18.997 26.883 19.355 508 HB2 CYS 67 HB2 CYS 67 -20.089 29.704 19.648 509 HB3 CYS 67 HB3 CYS 67 -20.775 28.445 18.624 510 HG CYS 67 HG CYS 67 -20.321 28.323 21.891 511 H THR 68 H THR 68 -16.542 29.006 19.222 512 HA THR 68 HA THR 68 -15.323 30.181 17.821 513 HB THR 68 HB THR 68 -14.873 27.997 16.973 514 HG1 THR 68 HG1 THR 68 -13.903 28.829 15.186 515 HG21 THR 68 HG21 THR 68 -15.610 27.356 14.668 516 HG22 THR 68 HG22 THR 68 -16.852 27.164 15.892 517 HG23 THR 68 HG23 THR 68 -16.911 28.559 14.780 518 H LEU 69 H LEU 69 -18.442 29.823 16.122 519 HA LEU 69 HA LEU 69 -17.989 32.311 14.639 520 HB2 LEU 69 HB2 LEU 69 -19.869 31.651 13.321 521 HB3 LEU 69 HB3 LEU 69 -18.791 30.297 13.556 522 HG LEU 69 HG LEU 69 -20.470 29.634 15.518 523 HD11 LEU 69 HD11 LEU 69 -22.280 31.262 13.672 524 HD12 LEU 69 HD12 LEU 69 -22.807 30.177 14.974 525 HD13 LEU 69 HD13 LEU 69 -21.939 31.659 15.370 526 HD21 LEU 69 HD21 LEU 69 -21.770 28.312 13.883 527 HD22 LEU 69 HD22 LEU 69 -21.143 29.324 12.562 528 HD23 LEU 69 HD23 LEU 69 -20.043 28.297 13.504 529 H CYS 70 H CYS 70 -19.581 31.478 17.567 530 HA CYS 70 HA CYS 70 -21.512 33.666 17.557 531 HB2 CYS 70 HB2 CYS 70 -20.502 31.843 19.778 532 HB3 CYS 70 HB3 CYS 70 -21.849 32.974 19.928 533 HG CYS 70 HG CYS 70 -23.316 31.982 18.028 534 H LYS 71 H LYS 71 -21.510 35.325 19.357 535 HA LYS 71 HA LYS 71 -19.087 36.885 19.166 536 HB2 LYS 71 HB2 LYS 71 -21.395 37.840 19.138 537 HB3 LYS 71 HB3 LYS 71 -21.584 37.395 20.828 538 HG2 LYS 71 HG2 LYS 71 -21.097 39.765 20.582 539 HG3 LYS 71 HG3 LYS 71 -19.809 38.969 21.475 540 HD2 LYS 71 HD2 LYS 71 -18.401 38.967 19.375 541 HD3 LYS 71 HD3 LYS 71 -19.747 39.698 18.508 542 HE2 LYS 71 HE2 LYS 71 -18.136 41.389 19.037 543 HE3 LYS 71 HE3 LYS 71 -19.608 41.706 19.940 544 HZ1 LYS 71 HZ1 LYS 71 -18.537 40.835 21.923 545 HZ2 LYS 71 HZ2 LYS 71 -17.225 40.361 21.089 546 HZ3 LYS 71 HZ3 LYS 71 -17.536 41.945 21.261 547 H SER 72 H SER 72 -17.768 37.644 20.807 548 HA SER 72 HA SER 72 -16.822 35.710 22.684 549 HB2 SER 72 HB2 SER 72 -15.096 37.559 23.022 550 HB3 SER 72 HB3 SER 72 -15.323 37.005 21.357 551 HG SER 72 HG SER 72 -15.388 39.294 21.627 552 H LYS 73 H LYS 73 -19.453 36.759 23.468 553 HA LYS 73 HA LYS 73 -18.831 37.549 26.275 554 HB2 LYS 73 HB2 LYS 73 -21.103 38.600 24.539 555 HB3 LYS 73 HB3 LYS 73 -21.112 38.671 26.299 556 HG2 LYS 73 HG2 LYS 73 -19.012 39.998 26.268 557 HG3 LYS 73 HG3 LYS 73 -19.064 40.018 24.494 558 HD2 LYS 73 HD2 LYS 73 -21.237 41.186 24.550 559 HD3 LYS 73 HD3 LYS 73 -21.268 41.088 26.321 560 HE2 LYS 73 HE2 LYS 73 -19.194 42.442 26.429 561 HE3 LYS 73 HE3 LYS 73 -19.182 42.573 24.675 562 HZ1 LYS 73 HZ1 LYS 73 -21.314 43.750 24.815 563 HZ2 LYS 73 HZ2 LYS 73 -21.330 43.612 26.443 564 HZ3 LYS 73 HZ3 LYS 73 -20.195 44.521 25.713 565 H LYS 74 H LYS 74 -20.315 36.687 27.838 566 HA LYS 74 HA LYS 74 -21.104 33.956 27.317 567 HB2 LYS 74 HB2 LYS 74 -21.734 35.804 29.651 568 HB3 LYS 74 HB3 LYS 74 -22.124 34.093 29.609 569 HG2 LYS 74 HG2 LYS 74 -19.303 35.237 29.474 570 HG3 LYS 74 HG3 LYS 74 -20.098 34.598 30.911 571 HD2 LYS 74 HD2 LYS 74 -20.297 32.357 29.761 572 HD3 LYS 74 HD3 LYS 74 -19.400 33.024 28.394 573 HE2 LYS 74 HE2 LYS 74 -17.827 31.832 29.695 574 HE3 LYS 74 HE3 LYS 74 -17.492 33.541 29.924 575 HZ1 LYS 74 HZ1 LYS 74 -17.440 32.315 32.019 576 HZ2 LYS 74 HZ2 LYS 74 -18.648 33.403 32.074 577 HZ3 LYS 74 HZ3 LYS 74 -18.977 31.818 31.837 578 H HIS 75 H HIS 75 -22.697 33.331 26.179 579 HA HIS 75 HA HIS 75 -25.370 34.674 26.218 580 HB2 HIS 75 HB2 HIS 75 -25.429 34.459 23.784 581 HB3 HIS 75 HB3 HIS 75 -24.015 35.385 24.267 582 HD1 HIS 75 HD1 HIS 75 -21.619 34.213 23.847 583 HD2 HIS 75 HD2 HIS 75 -24.975 31.946 22.765 584 HE1 HIS 75 HE1 HIS 75 -20.729 32.200 22.595 585 H SER 76 H SER 76 -23.873 31.914 27.035 586 HA SER 76 HA SER 76 -24.975 29.989 25.294 587 HB2 SER 76 HB2 SER 76 -23.519 29.442 27.903 588 HB3 SER 76 HB3 SER 76 -23.554 28.452 26.425 589 HG SER 76 HG SER 76 -22.379 30.082 25.426 590 H LYS 77 H LYS 77 -27.193 31.168 26.653 591 HA LYS 77 HA LYS 77 -28.280 29.653 28.779 592 HB2 LYS 77 HB2 LYS 77 -30.415 30.617 28.186 593 HB3 LYS 77 HB3 LYS 77 -29.137 31.821 28.074 594 HG2 LYS 77 HG2 LYS 77 -29.121 31.484 25.555 595 HG3 LYS 77 HG3 LYS 77 -30.465 30.355 25.745 596 HD2 LYS 77 HD2 LYS 77 -31.340 32.476 25.061 597 HD3 LYS 77 HD3 LYS 77 -31.854 32.166 26.723 598 HE2 LYS 77 HE2 LYS 77 -30.060 33.667 27.553 599 HE3 LYS 77 HE3 LYS 77 -29.506 33.930 25.903 600 HZ1 LYS 77 HZ1 LYS 77 -32.171 34.710 26.954 601 HZ2 LYS 77 HZ2 LYS 77 -30.940 35.731 26.648 602 HZ3 LYS 77 HZ3 LYS 77 -31.667 34.952 25.418 603 H GLU 78 H GLU 78 -29.599 27.893 28.953 604 HA GLU 78 HA GLU 78 -29.817 25.644 28.627 605 HB2 GLU 78 HB2 GLU 78 -31.206 26.622 26.108 606 HB3 GLU 78 HB3 GLU 78 -31.299 24.991 26.768 607 HG2 GLU 78 HG2 GLU 78 -33.216 25.894 27.592 608 HG3 GLU 78 HG3 GLU 78 -32.131 26.035 28.953 609 H ARG 79 H ARG 79 -27.271 26.214 28.153 610 HA ARG 79 HA ARG 79 -25.309 25.531 27.260 611 HB2 ARG 79 HB2 ARG 79 -26.845 23.100 26.299 612 HB3 ARG 79 HB3 ARG 79 -25.098 23.231 26.488 613 HG2 ARG 79 HG2 ARG 79 -25.285 23.480 28.897 614 HG3 ARG 79 HG3 ARG 79 -27.051 23.490 28.823 615 HD2 ARG 79 HD2 ARG 79 -25.304 21.166 27.930 616 HD3 ARG 79 HD3 ARG 79 -26.075 21.306 29.515 617 HE ARG 79 HE ARG 79 -28.074 21.625 27.499 618 HH11 ARG 79 HH11 ARG 79 -26.117 19.051 28.875 619 HH12 ARG 79 HH12 ARG 79 -27.275 17.814 28.435 620 HH21 ARG 79 HH21 ARG 79 -29.500 20.006 26.970 621 HH22 ARG 79 HH22 ARG 79 -29.156 18.353 27.412 622 H CYS 80 H CYS 80 -26.608 27.352 25.835 623 HA CYS 80 HA CYS 80 -26.790 28.544 23.982 624 HB2 CYS 80 HB2 CYS 80 -24.398 28.056 23.619 625 HB3 CYS 80 HB3 CYS 80 -24.841 26.646 22.644 626 HG CYS 80 HG CYS 80 -25.745 29.786 22.165 627 HA PRO 81 HA PRO 81 -30.143 26.176 22.219 628 HB2 PRO 81 HB2 PRO 81 -31.624 28.137 21.075 629 HB3 PRO 81 HB3 PRO 81 -31.425 28.013 22.848 630 HG2 PRO 81 HG2 PRO 81 -29.868 29.782 20.934 631 HG3 PRO 81 HG3 PRO 81 -30.691 30.260 22.451 632 HD2 PRO 81 HD2 PRO 81 -28.025 29.676 22.359 633 HD3 PRO 81 HD3 PRO 81 -29.032 29.277 23.779 634 H SER 82 H SER 82 -28.104 28.247 20.252 635 HA SER 82 HA SER 82 -29.197 27.529 17.714 636 HB2 SER 82 HB2 SER 82 -26.617 28.969 18.379 637 HB3 SER 82 HB3 SER 82 -27.517 29.040 16.851 638 HG SER 82 HG SER 82 -28.051 30.753 18.270 639 H ILE 83 H ILE 83 -27.060 25.696 19.562 640 HA ILE 83 HA ILE 83 -25.240 24.888 17.474 641 HB ILE 83 HB ILE 83 -24.724 24.902 19.895 642 HG12 ILE 83 HG12 ILE 83 -24.205 22.226 18.544 643 HG13 ILE 83 HG13 ILE 83 -23.377 23.734 18.145 644 HG21 ILE 83 HG21 ILE 83 -26.226 22.259 20.051 645 HG22 ILE 83 HG22 ILE 83 -25.384 23.111 21.362 646 HG23 ILE 83 HG23 ILE 83 -26.856 23.797 20.678 647 HD11 ILE 83 HD11 ILE 83 -21.982 22.432 19.617 648 HD12 ILE 83 HD12 ILE 83 -22.531 23.879 20.484 649 HD13 ILE 83 HD13 ILE 83 -23.273 22.295 20.823 650 H TRP 84 H TRP 84 -25.030 22.865 16.455 651 HA TRP 84 HA TRP 84 -27.550 21.974 15.336 652 HB2 TRP 84 HB2 TRP 84 -26.045 20.762 13.754 653 HB3 TRP 84 HB3 TRP 84 -25.793 22.489 13.860 654 HD1 TRP 84 HD1 TRP 84 -24.085 19.191 14.632 655 HE1 TRP 84 HE1 TRP 84 -21.606 19.576 15.118 656 HE3 TRP 84 HE3 TRP 84 -24.066 24.307 14.740 657 HZ2 TRP 84 HZ2 TRP 84 -19.845 21.804 15.598 658 HZ3 TRP 84 HZ3 TRP 84 -21.974 25.532 15.268 659 HH2 TRP 84 HH2 TRP 84 -19.869 24.298 15.702 660 H ARG 85 H ARG 85 -27.787 19.676 14.673 661 HA ARG 85 HA ARG 85 -28.567 18.129 16.890 662 HB2 ARG 85 HB2 ARG 85 -29.570 18.139 14.623 663 HB3 ARG 85 HB3 ARG 85 -28.158 17.298 13.989 664 HG2 ARG 85 HG2 ARG 85 -28.677 15.328 15.380 665 HG3 ARG 85 HG3 ARG 85 -30.067 16.175 16.088 666 HD2 ARG 85 HD2 ARG 85 -29.744 15.624 13.115 667 HD3 ARG 85 HD3 ARG 85 -30.553 14.511 14.198 668 HE ARG 85 HE ARG 85 -31.453 17.295 13.520 669 HH11 ARG 85 HH11 ARG 85 -32.426 14.108 14.707 670 HH12 ARG 85 HH12 ARG 85 -34.109 14.560 14.744 671 HH21 ARG 85 HH21 ARG 85 -33.608 17.765 13.614 672 HH22 ARG 85 HH22 ARG 85 -34.745 16.549 14.142 673 H ALA 86 H ALA 86 -27.911 16.237 17.803 674 HA ALA 86 HA ALA 86 -25.029 15.513 17.512 675 HB1 ALA 86 HB1 ALA 86 -25.668 16.610 19.627 676 HB2 ALA 86 HB2 ALA 86 -26.858 15.325 19.931 677 HB3 ALA 86 HB3 ALA 86 -25.120 14.949 19.886 678 H TYR 87 H TYR 87 -24.517 13.266 18.306 679 HA TYR 87 HA TYR 87 -25.586 11.410 16.490 680 HB2 TYR 87 HB2 TYR 87 -24.131 9.799 17.556 681 HB3 TYR 87 HB3 TYR 87 -23.314 11.333 17.361 682 HD1 TYR 87 HD1 TYR 87 -22.821 12.791 19.344 683 HD2 TYR 87 HD2 TYR 87 -24.554 8.859 19.758 684 HE1 TYR 87 HE1 TYR 87 -22.283 12.800 21.771 685 HE2 TYR 87 HE2 TYR 87 -23.974 8.860 22.172 686 HH TYR 87 HH TYR 87 -23.012 10.104 23.897 687 H ILE 88 H ILE 88 -26.626 11.966 19.823 688 HA ILE 88 HA ILE 88 -28.248 9.572 20.004 689 HB ILE 88 HB ILE 88 -29.319 10.738 21.929 690 HG12 ILE 88 HG12 ILE 88 -28.714 13.116 21.032 691 HG13 ILE 88 HG13 ILE 88 -28.776 12.768 22.748 692 HG21 ILE 88 HG21 ILE 88 -26.306 10.421 21.992 693 HG22 ILE 88 HG22 ILE 88 -27.395 10.442 23.399 694 HG23 ILE 88 HG23 ILE 88 -27.525 9.147 22.204 695 HD11 ILE 88 HD11 ILE 88 -26.176 12.935 21.161 696 HD12 ILE 88 HD12 ILE 88 -26.879 14.212 22.172 697 HD13 ILE 88 HD13 ILE 88 -26.347 12.704 22.915 698 H LEU 89 H LEU 89 -28.720 12.280 18.096 699 HA LEU 89 HA LEU 89 -31.669 11.829 17.872 700 HB2 LEU 89 HB2 LEU 89 -30.005 14.361 17.600 701 HB3 LEU 89 HB3 LEU 89 -31.711 14.266 17.186 702 HG LEU 89 HG LEU 89 -30.611 13.792 19.989 703 HD11 LEU 89 HD11 LEU 89 -30.286 16.114 19.247 704 HD12 LEU 89 HD12 LEU 89 -31.992 16.214 18.759 705 HD13 LEU 89 HD13 LEU 89 -31.559 16.018 20.471 706 HD21 LEU 89 HD21 LEU 89 -33.461 14.125 18.942 707 HD22 LEU 89 HD22 LEU 89 -32.763 12.646 19.646 708 HD23 LEU 89 HD23 LEU 89 -32.993 14.079 20.657 709 H VAL 90 H VAL 90 -28.954 11.010 16.231 710 HA VAL 90 HA VAL 90 -29.471 12.178 13.651 711 HB VAL 90 HB VAL 90 -27.249 11.444 14.569 712 HG11 VAL 90 HG11 VAL 90 -27.899 9.105 15.231 713 HG12 VAL 90 HG12 VAL 90 -28.004 8.693 13.504 714 HG13 VAL 90 HG13 VAL 90 -26.459 9.200 14.203 715 HG21 VAL 90 HG21 VAL 90 -27.912 10.489 11.761 716 HG22 VAL 90 HG22 VAL 90 -27.568 12.166 12.237 717 HG23 VAL 90 HG23 VAL 90 -26.314 10.928 12.391 718 H ASP 91 H ASP 91 -30.555 9.195 15.097 719 HA ASP 91 HA ASP 91 -31.869 7.487 14.397 720 HB2 ASP 91 HB2 ASP 91 -33.365 9.412 14.740 721 HB3 ASP 91 HB3 ASP 91 -33.300 9.772 13.020 722 H ASP 92 H ASP 92 -29.788 6.960 13.005 723 HA ASP 92 HA ASP 92 -30.771 6.139 10.315 724 HB2 ASP 92 HB2 ASP 92 -29.317 8.137 10.086 725 HB3 ASP 92 HB3 ASP 92 -28.022 7.277 10.909 726 H ASN 93 H ASN 93 -30.070 4.160 9.561 727 HA ASN 93 HA ASN 93 -29.340 2.230 11.622 728 HB2 ASN 93 HB2 ASN 93 -29.953 1.886 8.659 729 HB3 ASN 93 HB3 ASN 93 -29.731 0.573 9.810 730 HD21 ASN 93 HD22 ASN 93 -31.325 0.370 11.612 731 HD22 ASN 93 HD21 ASN 93 -32.942 1.007 11.338 732 H GLU 94 H GLU 94 -27.462 1.141 11.896 733 HA GLU 94 HA GLU 94 -25.120 1.944 10.239 734 HB2 GLU 94 HB2 GLU 94 -23.733 1.464 12.107 735 HB3 GLU 94 HB3 GLU 94 -25.025 2.555 12.598 736 HG2 GLU 94 HG2 GLU 94 -26.249 0.608 13.596 737 HG3 GLU 94 HG3 GLU 94 -24.905 -0.439 13.158 738 H LYS 95 H LYS 95 -23.432 0.402 9.808 739 HA LYS 95 HA LYS 95 -24.482 -2.138 8.793 740 HB2 LYS 95 HB2 LYS 95 -21.682 -0.950 8.712 741 HB3 LYS 95 HB3 LYS 95 -22.194 -2.426 7.893 742 HG2 LYS 95 HG2 LYS 95 -23.822 -1.141 6.545 743 HG3 LYS 95 HG3 LYS 95 -23.330 0.354 7.364 744 HD2 LYS 95 HD2 LYS 95 -20.995 0.022 6.510 745 HD3 LYS 95 HD3 LYS 95 -21.528 -1.444 5.688 746 HE2 LYS 95 HE2 LYS 95 -21.472 0.269 4.049 747 HE3 LYS 95 HE3 LYS 95 -23.163 -0.085 4.368 748 HZ1 LYS 95 HZ1 LYS 95 -21.658 2.219 5.492 749 HZ2 LYS 95 HZ2 LYS 95 -22.730 2.306 4.273 750 HZ3 LYS 95 HZ3 LYS 95 -23.243 1.915 5.766 751 H ALA 96 H ALA 96 -24.427 -4.027 9.774 752 HA ALA 96 HA ALA 96 -22.535 -4.508 12.050 753 HB1 ALA 96 HB1 ALA 96 -24.767 -3.815 12.845 754 HB2 ALA 96 HB2 ALA 96 -25.508 -5.150 11.936 755 HB3 ALA 96 HB3 ALA 96 -24.407 -5.490 13.288 756 H LYS 97 H LYS 97 -23.259 -5.672 9.038 757 HA LYS 97 HA LYS 97 -23.226 -8.547 9.700 758 HB2 LYS 97 HB2 LYS 97 -23.476 -7.046 7.074 759 HB3 LYS 97 HB3 LYS 97 -23.386 -8.804 7.194 760 HG2 LYS 97 HG2 LYS 97 -25.416 -8.859 8.591 761 HG3 LYS 97 HG3 LYS 97 -25.499 -7.099 8.584 762 HD2 LYS 97 HD2 LYS 97 -27.107 -7.951 6.999 763 HD3 LYS 97 HD3 LYS 97 -25.841 -7.075 6.155 764 HE2 LYS 97 HE2 LYS 97 -26.372 -9.018 4.877 765 HE3 LYS 97 HE3 LYS 97 -24.762 -9.238 5.534 766 HZ1 LYS 97 HZ1 LYS 97 -27.243 -10.444 6.641 767 HZ2 LYS 97 HZ2 LYS 97 -26.129 -11.237 5.761 768 HZ3 LYS 97 HZ3 LYS 97 -25.742 -10.688 7.245 769 HA PRO 98 HA PRO 98 -18.840 -9.093 9.154 770 HB2 PRO 98 HB2 PRO 98 -19.555 -11.715 7.861 771 HB3 PRO 98 HB3 PRO 98 -18.368 -11.382 9.157 772 HG2 PRO 98 HG2 PRO 98 -20.776 -12.451 9.767 773 HG3 PRO 98 HG3 PRO 98 -20.107 -11.131 10.780 774 HD2 PRO 98 HD2 PRO 98 -22.158 -10.929 8.557 775 HD3 PRO 98 HD3 PRO 98 -22.187 -10.225 10.203 776 H LYS 99 H LYS 99 -17.171 -9.193 7.601 777 HA LYS 99 HA LYS 99 -17.709 -9.378 4.729 778 HB2 LYS 99 HB2 LYS 99 -18.064 -6.889 5.772 779 HB3 LYS 99 HB3 LYS 99 -16.324 -6.844 5.629 780 HG2 LYS 99 HG2 LYS 99 -17.291 -5.839 3.687 781 HG3 LYS 99 HG3 LYS 99 -16.588 -7.362 3.152 782 HD2 LYS 99 HD2 LYS 99 -18.868 -8.410 3.201 783 HD3 LYS 99 HD3 LYS 99 -19.540 -6.869 3.769 784 HE2 LYS 99 HE2 LYS 99 -18.736 -5.767 1.698 785 HE3 LYS 99 HE3 LYS 99 -18.061 -7.294 1.142 786 HZ1 LYS 99 HZ1 LYS 99 -20.243 -6.891 0.173 787 HZ2 LYS 99 HZ2 LYS 99 -20.315 -8.213 1.119 788 HZ3 LYS 99 HZ3 LYS 99 -20.943 -6.796 1.641 789 H VAL 100 H VAL 100 -15.392 -8.526 3.670 790 HA VAL 100 HA VAL 100 -13.539 -10.581 4.134 791 HB VAL 100 HB VAL 100 -13.729 -9.241 2.085 792 HG11 VAL 100 HG11 VAL 100 -12.114 -7.086 3.499 793 HG12 VAL 100 HG12 VAL 100 -12.624 -7.109 1.804 794 HG13 VAL 100 HG13 VAL 100 -13.837 -6.954 3.083 795 HG21 VAL 100 HG21 VAL 100 -11.394 -9.246 1.465 796 HG22 VAL 100 HG22 VAL 100 -10.885 -9.256 3.159 797 HG23 VAL 100 HG23 VAL 100 -11.745 -10.659 2.469 798 H LEU 101 H LEU 101 -11.552 -10.771 5.137 799 HA LEU 101 HA LEU 101 -11.311 -9.490 7.703 800 HB2 LEU 101 HB2 LEU 101 -9.434 -11.330 6.164 801 HB3 LEU 101 HB3 LEU 101 -9.210 -10.880 7.846 802 HG LEU 101 HG LEU 101 -11.564 -12.476 6.745 803 HD11 LEU 101 HD11 LEU 101 -9.209 -13.300 8.494 804 HD12 LEU 101 HD12 LEU 101 -10.556 -14.341 7.977 805 HD13 LEU 101 HD13 LEU 101 -9.420 -13.706 6.776 806 HD21 LEU 101 HD21 LEU 101 -10.853 -11.675 9.601 807 HD22 LEU 101 HD22 LEU 101 -12.309 -11.201 8.693 808 HD23 LEU 101 HD23 LEU 101 -12.077 -12.886 9.161 809 HA PRO 102 HA PRO 102 -8.595 -6.067 6.989 810 HB2 PRO 102 HB2 PRO 102 -6.839 -7.166 9.186 811 HB3 PRO 102 HB3 PRO 102 -7.452 -5.500 8.965 812 HG2 PRO 102 HG2 PRO 102 -8.637 -7.138 10.752 813 HG3 PRO 102 HG3 PRO 102 -9.657 -6.155 9.651 814 HD2 PRO 102 HD2 PRO 102 -8.871 -9.068 9.380 815 HD3 PRO 102 HD3 PRO 102 -10.478 -8.306 9.192 816 H PHE 103 H PHE 103 -7.147 -9.262 6.985 817 HA PHE 103 HA PHE 103 -5.101 -8.361 5.003 818 HB2 PHE 103 HB2 PHE 103 -4.035 -8.964 7.139 819 HB3 PHE 103 HB3 PHE 103 -4.814 -10.536 7.100 820 HD1 PHE 103 HD2 PHE 103 -4.098 -12.272 5.480 821 HD2 PHE 103 HD1 PHE 103 -2.114 -8.453 5.704 822 HE1 PHE 103 HE2 PHE 103 -2.200 -13.176 4.163 823 HE2 PHE 103 HE1 PHE 103 -0.208 -9.374 4.408 824 HZ PHE 103 HZ PHE 103 -0.254 -11.733 3.630 825 H HIS 104 H HIS 104 -5.388 -9.230 3.067 826 HA HIS 104 HA HIS 104 -6.667 -11.875 2.690 827 HB2 HIS 104 HB2 HIS 104 -8.384 -10.946 1.210 828 HB3 HIS 104 HB3 HIS 104 -8.528 -10.314 2.838 829 HD1 HIS 104 HD1 HIS 104 -7.325 -9.138 -0.637 830 HD2 HIS 104 HD2 HIS 104 -8.429 -7.682 3.139 831 HE1 HIS 104 HE1 HIS 104 -7.467 -6.609 -0.866 832 H THR 105 H THR 105 -3.945 -10.903 2.209 833 HA THR 105 HA THR 105 -3.773 -11.119 -0.768 834 HB THR 105 HB THR 105 -3.421 -8.829 0.036 835 HG1 THR 105 HG1 THR 105 -1.637 -8.645 -1.265 836 HG21 THR 105 HG21 THR 105 -0.845 -9.900 1.269 837 HG22 THR 105 HG22 THR 105 -1.308 -8.197 1.080 838 HG23 THR 105 HG23 THR 105 -2.231 -9.235 2.170 839 H ILE 106 H ILE 106 -1.449 -11.562 -1.449 840 HA ILE 106 HA ILE 106 -0.428 -13.998 -0.055 841 HB ILE 106 HB ILE 106 -1.164 -13.623 -2.980 842 HG12 ILE 106 HG12 ILE 106 -2.092 -15.626 -0.872 843 HG13 ILE 106 HG13 ILE 106 -3.010 -14.230 -1.431 844 HG21 ILE 106 HG21 ILE 106 -0.255 -15.866 -3.418 845 HG22 ILE 106 HG22 ILE 106 1.012 -14.782 -2.908 846 HG23 ILE 106 HG23 ILE 106 0.355 -15.956 -1.744 847 HD11 ILE 106 HD11 ILE 106 -2.326 -16.695 -3.062 848 HD12 ILE 106 HD12 ILE 106 -3.911 -16.135 -2.515 849 HD13 ILE 106 HD13 ILE 106 -3.033 -15.205 -3.743 850 H TYR 107 H TYR 107 1.719 -14.206 0.050 851 HA TYR 107 HA TYR 107 3.441 -12.070 -1.105 852 HB2 TYR 107 HB2 TYR 107 3.523 -12.445 1.301 853 HB3 TYR 107 HB3 TYR 107 3.950 -14.133 1.049 854 HD1 TYR 107 HD1 TYR 107 5.157 -10.637 0.877 855 HD2 TYR 107 HD2 TYR 107 6.199 -14.786 0.306 856 HE1 TYR 107 HE1 TYR 107 7.565 -10.025 0.831 857 HE2 TYR 107 HE2 TYR 107 8.610 -14.163 0.260 858 HH TYR 107 HH TYR 107 9.733 -10.857 0.601 859 H CYS 108 H CYS 108 3.319 -15.685 -0.956 860 HA CYS 108 HA CYS 108 5.444 -15.853 -2.995 861 HB2 CYS 108 HB2 CYS 108 5.628 -17.370 -1.104 862 HB3 CYS 108 HB3 CYS 108 4.007 -18.028 -1.435 863 HG CYS 108 HG CYS 108 6.570 -17.962 -3.515 864 H TYR 109 H TYR 109 4.810 -15.499 -5.003 865 HA TYR 109 HA TYR 109 2.171 -15.901 -6.009 866 HB2 TYR 109 HB2 TYR 109 3.905 -14.238 -6.743 867 HB3 TYR 109 HB3 TYR 109 4.792 -15.545 -7.505 868 HD1 TYR 109 HD1 TYR 109 1.547 -13.691 -7.522 869 HD2 TYR 109 HD2 TYR 109 4.233 -16.248 -9.722 870 HE1 TYR 109 HE1 TYR 109 0.225 -13.296 -9.590 871 HE2 TYR 109 HE2 TYR 109 2.905 -15.849 -11.793 872 HH TYR 109 HH TYR 109 0.062 -13.793 -11.863 873 H ASN 110 H ASN 110 4.852 -18.126 -5.765 874 HA ASN 110 HA ASN 110 4.063 -19.776 -8.025 875 HB2 ASN 110 HB2 ASN 110 6.234 -20.025 -5.914 876 HB3 ASN 110 HB3 ASN 110 6.011 -21.180 -7.223 877 HD21 ASN 110 HD22 ASN 110 7.871 -18.524 -6.463 878 HD22 ASN 110 HD21 ASN 110 8.162 -17.956 -8.095 879 H CYS 111 H CYS 111 3.191 -19.924 -4.636 880 HA CYS 111 HA CYS 111 1.404 -22.163 -5.343 881 HB2 CYS 111 HB2 CYS 111 2.096 -23.595 -3.497 882 HB3 CYS 111 HB3 CYS 111 3.441 -23.308 -4.596 883 HG CYS 111 HG CYS 111 4.218 -23.372 -2.089 884 H GLY 112 H GLY 112 1.389 -19.196 -4.137 885 HA2 GLY 112 HA2 GLY 112 -0.297 -18.046 -3.088 886 HA3 GLY 112 HA3 GLY 112 -1.128 -19.560 -2.738 887 H GLY 113 H GLY 113 2.009 -19.815 -1.558 888 HA2 GLY 113 HA2 GLY 113 1.209 -19.487 1.250 889 HA3 GLY 113 HA3 GLY 113 2.744 -20.074 0.631 890 H LYS 114 H LYS 114 3.631 -18.791 2.339 891 HA LYS 114 HA LYS 114 4.637 -16.240 1.384 892 HB2 LYS 114 HB2 LYS 114 4.013 -14.967 3.389 893 HB3 LYS 114 HB3 LYS 114 2.596 -15.446 2.497 894 HG2 LYS 114 HG2 LYS 114 3.617 -16.962 4.944 895 HG3 LYS 114 HG3 LYS 114 2.550 -15.577 5.052 896 HD2 LYS 114 HD2 LYS 114 1.865 -18.279 3.824 897 HD3 LYS 114 HD3 LYS 114 1.279 -17.579 5.325 898 HE2 LYS 114 HE2 LYS 114 0.207 -15.726 4.047 899 HE3 LYS 114 HE3 LYS 114 0.713 -16.484 2.541 900 HZ1 LYS 114 HZ1 LYS 114 -1.088 -17.735 4.539 901 HZ2 LYS 114 HZ2 LYS 114 -1.568 -17.072 3.135 902 HZ3 LYS 114 HZ3 LYS 114 -0.650 -18.415 3.118 903 H GLY 115 H GLY 115 6.301 -15.338 2.894 904 HA2 GLY 115 HA2 GLY 115 7.924 -15.370 4.494 905 HA3 GLY 115 HA3 GLY 115 6.935 -16.579 5.307 906 H HIS 116 H HIS 116 8.384 -17.380 2.191 907 HA HIS 116 HA HIS 116 10.684 -18.720 3.488 908 HB2 HIS 116 HB2 HIS 116 10.188 -20.868 2.880 909 HB3 HIS 116 HB3 HIS 116 8.630 -20.282 3.410 910 HD1 HIS 116 HD1 HIS 116 10.014 -22.298 0.782 911 HD2 HIS 116 HD2 HIS 116 6.993 -19.393 1.093 912 HE1 HIS 116 HE1 HIS 116 8.471 -22.658 -1.194 913 H PHE 117 H PHE 117 11.656 -20.142 1.364 914 HA PHE 117 HA PHE 117 12.754 -18.220 -0.482 915 HB2 PHE 117 HB2 PHE 117 12.792 -21.253 -0.430 916 HB3 PHE 117 HB3 PHE 117 13.770 -20.264 -1.504 917 HD1 PHE 117 HD1 PHE 117 15.294 -18.435 -0.368 918 HD2 PHE 117 HD2 PHE 117 13.725 -21.901 1.661 919 HE1 PHE 117 HE1 PHE 117 17.066 -18.235 1.355 920 HE2 PHE 117 HE2 PHE 117 15.505 -21.696 3.373 921 HZ PHE 117 HZ PHE 117 17.175 -19.865 3.224 922 H GLY 118 H GLY 118 9.882 -18.257 -0.540 923 HA2 GLY 118 HA2 GLY 118 8.507 -19.533 -2.583 924 HA3 GLY 118 HA3 GLY 118 8.177 -17.926 -1.936 925 H ASP 119 H ASP 119 10.736 -16.821 -2.840 926 HA ASP 119 HA ASP 119 10.142 -15.761 -5.409 927 HB2 ASP 119 HB2 ASP 119 11.601 -14.761 -3.639 928 HB3 ASP 119 HB3 ASP 119 12.766 -16.050 -3.893 929 H ASP 120 H ASP 120 12.201 -18.478 -4.423 930 HA ASP 120 HA ASP 120 13.051 -19.014 -7.233 931 HB2 ASP 120 HB2 ASP 120 14.776 -18.345 -5.569 932 HB3 ASP 120 HB3 ASP 120 14.354 -19.743 -4.591 933 H CYS 121 H CYS 121 11.177 -20.351 -4.633 934 HA CYS 121 HA CYS 121 11.472 -23.099 -5.193 935 HB2 CYS 121 HB2 CYS 121 9.723 -23.483 -3.733 936 HB3 CYS 121 HB3 CYS 121 10.366 -21.946 -3.163 937 HG CYS 121 HG CYS 121 8.596 -20.506 -4.610 938 H LYS 122 H LYS 122 10.010 -24.610 -6.157 939 HA LYS 122 HA LYS 122 9.287 -23.876 -8.857 940 HB2 LYS 122 HB2 LYS 122 8.766 -26.187 -9.180 941 HB3 LYS 122 HB3 LYS 122 10.249 -26.065 -8.240 942 HG2 LYS 122 HG2 LYS 122 8.904 -26.521 -6.149 943 HG3 LYS 122 HG3 LYS 122 7.466 -26.738 -7.167 944 HD2 LYS 122 HD2 LYS 122 8.664 -28.591 -8.384 945 HD3 LYS 122 HD3 LYS 122 10.041 -28.357 -7.306 946 HE2 LYS 122 HE2 LYS 122 8.900 -30.195 -6.407 947 HE3 LYS 122 HE3 LYS 122 8.506 -28.847 -5.351 948 HZ1 LYS 122 HZ1 LYS 122 6.729 -29.855 -7.518 949 HZ2 LYS 122 HZ2 LYS 122 6.553 -30.203 -5.925 950 HZ3 LYS 122 HZ3 LYS 122 6.351 -28.695 -6.450 951 H GLU 123 H GLU 123 7.255 -24.139 -9.910 952 HA GLU 123 HA GLU 123 4.926 -23.268 -8.341 953 HB2 GLU 123 HB2 GLU 123 5.328 -22.443 -10.639 954 HB3 GLU 123 HB3 GLU 123 5.117 -24.084 -11.261 955 HG2 GLU 123 HG2 GLU 123 2.791 -24.098 -10.339 956 HG3 GLU 123 HG3 GLU 123 3.025 -22.459 -9.751 957 H LYS 124 H LYS 124 3.467 -24.539 -7.444 958 HA LYS 124 HA LYS 124 2.582 -26.383 -6.448 959 HB2 LYS 124 HB2 LYS 124 1.343 -25.956 -8.619 960 HB3 LYS 124 HB3 LYS 124 2.191 -27.341 -9.300 961 HG2 LYS 124 HG2 LYS 124 1.177 -28.798 -7.544 962 HG3 LYS 124 HG3 LYS 124 0.404 -27.374 -6.822 963 HD2 LYS 124 HD2 LYS 124 -0.881 -27.007 -8.926 964 HD3 LYS 124 HD3 LYS 124 -0.069 -28.392 -9.657 965 HE2 LYS 124 HE2 LYS 124 -2.230 -29.121 -8.972 966 HE3 LYS 124 HE3 LYS 124 -1.049 -29.879 -7.918 967 HZ1 LYS 124 HZ1 LYS 124 -2.690 -27.501 -7.224 968 HZ2 LYS 124 HZ2 LYS 124 -2.941 -29.011 -6.675 969 HZ3 LYS 124 HZ3 LYS 124 -1.602 -28.205 -6.222 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -18.648 15.064 -3.793 2 H2 LYS 1 H2 LYS 1 -17.616 14.166 -2.886 3 H3 LYS 1 H3 LYS 1 -17.619 15.795 -2.751 4 HA LYS 1 HA LYS 1 -19.827 15.800 -1.816 5 HB2 LYS 1 HB2 LYS 1 -19.599 12.774 -2.092 6 HB3 LYS 1 HB3 LYS 1 -20.815 13.600 -1.116 7 HG2 LYS 1 HG2 LYS 1 -21.633 14.804 -3.130 8 HG3 LYS 1 HG3 LYS 1 -20.496 13.899 -4.134 9 HD2 LYS 1 HD2 LYS 1 -22.744 12.684 -2.471 10 HD3 LYS 1 HD3 LYS 1 -22.794 12.997 -4.208 11 HE2 LYS 1 HE2 LYS 1 -20.845 11.464 -4.520 12 HE3 LYS 1 HE3 LYS 1 -20.881 11.088 -2.800 13 HZ1 LYS 1 HZ1 LYS 1 -23.102 10.562 -4.696 14 HZ2 LYS 1 HZ2 LYS 1 -22.086 9.437 -4.103 15 HZ3 LYS 1 HZ3 LYS 1 -23.122 10.197 -3.103 16 H GLU 2 H GLU 2 -20.103 15.783 0.450 17 HA GLU 2 HA GLU 2 -17.565 15.439 1.921 18 HB2 GLU 2 HB2 GLU 2 -18.495 16.846 3.602 19 HB3 GLU 2 HB3 GLU 2 -18.719 17.590 2.021 20 HG2 GLU 2 HG2 GLU 2 -21.104 16.758 2.034 21 HG3 GLU 2 HG3 GLU 2 -20.847 16.151 3.663 22 H ALA 3 H ALA 3 -17.443 14.531 4.030 23 HA ALA 3 HA ALA 3 -19.215 12.185 4.483 24 HB1 ALA 3 HB1 ALA 3 -17.416 11.430 5.984 25 HB2 ALA 3 HB2 ALA 3 -16.798 11.758 4.358 26 HB3 ALA 3 HB3 ALA 3 -16.509 12.926 5.661 27 H ALA 4 H ALA 4 -20.603 12.105 6.187 28 HA ALA 4 HA ALA 4 -21.295 14.284 7.835 29 HB1 ALA 4 HB1 ALA 4 -22.472 12.574 9.195 30 HB2 ALA 4 HB2 ALA 4 -22.782 12.401 7.457 31 HB3 ALA 4 HB3 ALA 4 -21.673 11.288 8.274 32 HA PRO 5 HA PRO 5 -18.396 12.740 11.309 33 HB2 PRO 5 HB2 PRO 5 -16.463 10.863 10.869 34 HB3 PRO 5 HB3 PRO 5 -18.155 10.450 11.270 35 HG2 PRO 5 HG2 PRO 5 -16.940 10.616 8.479 36 HG3 PRO 5 HG3 PRO 5 -17.846 9.247 9.209 37 HD2 PRO 5 HD2 PRO 5 -19.083 11.012 7.652 38 HD3 PRO 5 HD3 PRO 5 -19.860 10.470 9.168 39 H LYS 6 H LYS 6 -16.790 12.729 8.147 40 HA LYS 6 HA LYS 6 -14.926 13.583 7.245 41 HB2 LYS 6 HB2 LYS 6 -16.174 15.613 7.607 42 HB3 LYS 6 HB3 LYS 6 -15.419 15.865 9.167 43 HG2 LYS 6 HG2 LYS 6 -13.593 15.535 6.783 44 HG3 LYS 6 HG3 LYS 6 -14.586 16.981 6.810 45 HD2 LYS 6 HD2 LYS 6 -12.746 16.152 9.085 46 HD3 LYS 6 HD3 LYS 6 -12.303 17.287 7.814 47 HE2 LYS 6 HE2 LYS 6 -14.781 17.729 9.535 48 HE3 LYS 6 HE3 LYS 6 -13.188 18.221 10.081 49 HZ1 LYS 6 HZ1 LYS 6 -12.969 19.679 8.291 50 HZ2 LYS 6 HZ2 LYS 6 -14.318 19.167 7.505 51 HZ3 LYS 6 HZ3 LYS 6 -14.416 19.995 8.921 52 H CYS 7 H CYS 7 -14.393 13.960 10.754 53 HA CYS 7 HA CYS 7 -12.049 12.223 10.733 54 HB2 CYS 7 HB2 CYS 7 -11.745 15.175 10.715 55 HB3 CYS 7 HB3 CYS 7 -10.945 14.387 12.075 56 HG CYS 7 HG CYS 7 -10.698 13.637 8.893 57 H ASN 8 H ASN 8 -11.138 11.987 12.993 58 HA ASN 8 HA ASN 8 -13.323 11.750 14.906 59 HB2 ASN 8 HB2 ASN 8 -11.812 10.578 16.288 60 HB3 ASN 8 HB3 ASN 8 -11.481 10.023 14.652 61 HD21 ASN 8 HD22 ASN 8 -9.709 9.722 16.875 62 HD22 ASN 8 HD21 ASN 8 -8.265 10.639 16.456 63 H ASN 9 H ASN 9 -10.617 13.977 14.528 64 HA ASN 9 HA ASN 9 -11.761 15.817 16.549 65 HB2 ASN 9 HB2 ASN 9 -10.285 14.195 17.777 66 HB3 ASN 9 HB3 ASN 9 -8.940 14.662 16.740 67 HD21 ASN 9 HD22 ASN 9 -7.784 15.277 18.701 68 HD22 ASN 9 HD21 ASN 9 -8.189 16.791 19.503 69 H CYS 10 H CYS 10 -8.967 15.271 14.320 70 HA CYS 10 HA CYS 10 -8.668 18.138 13.786 71 HB2 CYS 10 HB2 CYS 10 -6.834 17.369 12.323 72 HB3 CYS 10 HB3 CYS 10 -6.721 16.728 13.955 73 HG CYS 10 HG CYS 10 -5.973 14.892 12.322 74 H SER 11 H SER 11 -8.176 18.094 10.980 75 HA SER 11 HA SER 11 -10.989 17.907 10.004 76 HB2 SER 11 HB2 SER 11 -10.306 20.073 11.221 77 HB3 SER 11 HB3 SER 11 -9.401 20.446 9.740 78 HG SER 11 HG SER 11 -11.570 21.129 9.641 79 H GLN 12 H GLN 12 -8.707 16.386 9.100 80 HA GLN 12 HA GLN 12 -8.405 17.286 6.279 81 HB2 GLN 12 HB2 GLN 12 -6.326 16.871 7.080 82 HB3 GLN 12 HB3 GLN 12 -6.845 15.607 8.168 83 HG2 GLN 12 HG2 GLN 12 -5.436 14.639 6.569 84 HG3 GLN 12 HG3 GLN 12 -7.050 14.022 6.295 85 HE21 GLN 12 HE22 GLN 12 -5.109 13.739 4.338 86 HE22 GLN 12 HE21 GLN 12 -5.484 14.788 2.977 87 H ARG 13 H ARG 13 -8.743 15.802 4.583 88 HA ARG 13 HA ARG 13 -11.270 14.334 4.738 89 HB2 ARG 13 HB2 ARG 13 -9.286 14.731 2.464 90 HB3 ARG 13 HB3 ARG 13 -10.883 14.035 2.288 91 HG2 ARG 13 HG2 ARG 13 -11.930 16.013 2.243 92 HG3 ARG 13 HG3 ARG 13 -11.025 16.690 3.584 93 HD2 ARG 13 HD2 ARG 13 -9.979 16.463 0.733 94 HD3 ARG 13 HD3 ARG 13 -10.726 17.899 1.433 95 HE ARG 13 HE ARG 13 -8.302 16.736 2.747 96 HH11 ARG 13 HH11 ARG 13 -9.536 19.419 0.835 97 HH12 ARG 13 HH12 ARG 13 -8.158 20.422 1.248 98 HH21 ARG 13 HH21 ARG 13 -6.703 18.041 3.265 99 HH22 ARG 13 HH22 ARG 13 -6.555 19.649 2.584 100 H GLY 14 H GLY 14 -11.566 12.185 3.926 101 HA2 GLY 14 HA2 GLY 14 -11.042 10.074 3.216 102 HA3 GLY 14 HA3 GLY 14 -9.347 10.535 3.194 103 H HIS 15 H HIS 15 -9.879 11.061 6.336 104 HA HIS 15 HA HIS 15 -10.084 8.239 7.186 105 HB2 HIS 15 HB2 HIS 15 -8.169 8.180 8.515 106 HB3 HIS 15 HB3 HIS 15 -7.722 8.575 6.876 107 HD1 HIS 15 HD1 HIS 15 -5.668 9.111 9.086 108 HD2 HIS 15 HD2 HIS 15 -8.505 11.928 7.792 109 HE1 HIS 15 HE1 HIS 15 -4.746 11.391 9.703 110 H LEU 16 H LEU 16 -12.142 9.025 7.524 111 HA LEU 16 HA LEU 16 -13.010 10.828 9.518 112 HB2 LEU 16 HB2 LEU 16 -15.137 9.637 9.292 113 HB3 LEU 16 HB3 LEU 16 -14.386 10.023 7.754 114 HG LEU 16 HG LEU 16 -13.504 7.532 7.803 115 HD11 LEU 16 HD11 LEU 16 -15.842 7.407 9.763 116 HD12 LEU 16 HD12 LEU 16 -15.153 6.012 8.917 117 HD13 LEU 16 HD13 LEU 16 -14.157 6.891 10.073 118 HD21 LEU 16 HD21 LEU 16 -15.514 6.782 6.687 119 HD22 LEU 16 HD22 LEU 16 -16.454 8.129 7.376 120 HD23 LEU 16 HD23 LEU 16 -15.146 8.440 6.211 121 H LYS 17 H LYS 17 -14.513 9.896 11.379 122 HA LYS 17 HA LYS 17 -13.221 9.646 13.614 123 HB2 LYS 17 HB2 LYS 17 -15.789 9.457 13.049 124 HB3 LYS 17 HB3 LYS 17 -15.587 7.766 13.420 125 HG2 LYS 17 HG2 LYS 17 -14.905 10.129 15.222 126 HG3 LYS 17 HG3 LYS 17 -16.361 9.159 15.325 127 HD2 LYS 17 HD2 LYS 17 -13.535 8.185 15.943 128 HD3 LYS 17 HD3 LYS 17 -14.785 8.628 17.097 129 HE2 LYS 17 HE2 LYS 17 -16.253 6.815 16.166 130 HE3 LYS 17 HE3 LYS 17 -14.916 6.289 15.151 131 HZ1 LYS 17 HZ1 LYS 17 -15.000 5.025 17.213 132 HZ2 LYS 17 HZ2 LYS 17 -13.625 5.902 17.201 133 HZ3 LYS 17 HZ3 LYS 17 -14.894 6.369 18.118 134 H LYS 18 H LYS 18 -14.318 6.469 12.396 135 HA LYS 18 HA LYS 18 -12.442 4.978 14.037 136 HB2 LYS 18 HB2 LYS 18 -13.453 3.016 13.034 137 HB3 LYS 18 HB3 LYS 18 -14.701 4.154 13.528 138 HG2 LYS 18 HG2 LYS 18 -15.077 4.862 11.238 139 HG3 LYS 18 HG3 LYS 18 -13.656 3.959 10.666 140 HD2 LYS 18 HD2 LYS 18 -14.769 1.827 11.321 141 HD3 LYS 18 HD3 LYS 18 -16.172 2.747 11.867 142 HE2 LYS 18 HE2 LYS 18 -16.696 1.913 9.698 143 HE3 LYS 18 HE3 LYS 18 -16.457 3.648 9.552 144 HZ1 LYS 18 HZ1 LYS 18 -15.350 2.432 7.764 145 HZ2 LYS 18 HZ2 LYS 18 -14.245 3.200 8.654 146 HZ3 LYS 18 HZ3 LYS 18 -14.430 1.594 8.829 147 H ASP 19 H ASP 19 -12.058 6.329 10.924 148 HA ASP 19 HA ASP 19 -9.998 4.390 10.046 149 HB2 ASP 19 HB2 ASP 19 -11.582 6.596 8.722 150 HB3 ASP 19 HB3 ASP 19 -10.091 6.017 8.003 151 H CYS 20 H CYS 20 -10.199 7.582 11.462 152 HA CYS 20 HA CYS 20 -7.796 8.732 10.724 153 HB2 CYS 20 HB2 CYS 20 -9.751 9.681 12.098 154 HB3 CYS 20 HB3 CYS 20 -8.936 9.005 13.520 155 HG CYS 20 HG CYS 20 -8.285 11.496 13.385 156 HA PRO 21 HA PRO 21 -5.657 6.984 14.628 157 HB2 PRO 21 HB2 PRO 21 -6.835 4.225 14.885 158 HB3 PRO 21 HB3 PRO 21 -6.268 5.334 16.170 159 HG2 PRO 21 HG2 PRO 21 -8.909 5.106 15.679 160 HG3 PRO 21 HG3 PRO 21 -8.200 6.745 15.882 161 HD2 PRO 21 HD2 PRO 21 -8.780 5.262 13.299 162 HD3 PRO 21 HD3 PRO 21 -9.254 6.919 13.770 163 H HIS 22 H HIS 22 -5.978 5.158 11.706 164 HA HIS 22 HA HIS 22 -4.005 3.158 12.033 165 HB2 HIS 22 HB2 HIS 22 -4.928 4.651 9.551 166 HB3 HIS 22 HB3 HIS 22 -3.909 3.218 9.515 167 HD1 HIS 22 HD1 HIS 22 -7.501 4.175 9.754 168 HD2 HIS 22 HD2 HIS 22 -5.051 0.873 10.544 169 HE1 HIS 22 HE1 HIS 22 -9.060 2.175 9.947 170 H ILE 23 H ILE 23 -3.527 6.545 11.632 171 HA ILE 23 HA ILE 23 -0.822 6.550 10.660 172 HB ILE 23 HB ILE 23 -2.512 8.352 10.472 173 HG12 ILE 23 HG12 ILE 23 0.071 9.250 11.794 174 HG13 ILE 23 HG13 ILE 23 -0.104 8.729 10.114 175 HG21 ILE 23 HG21 ILE 23 -1.924 9.066 13.368 176 HG22 ILE 23 HG22 ILE 23 -3.094 9.818 12.267 177 HG23 ILE 23 HG23 ILE 23 -3.382 8.190 12.858 178 HD11 ILE 23 HD11 ILE 23 -1.419 11.166 11.380 179 HD12 ILE 23 HD12 ILE 23 -0.087 11.146 10.211 180 HD13 ILE 23 HD13 ILE 23 -1.702 10.601 9.714 181 H ILE 24 H ILE 24 -2.111 5.812 13.770 182 HA ILE 24 HA ILE 24 0.419 6.416 15.206 183 HB ILE 24 HB ILE 24 -2.141 5.578 16.564 184 HG12 ILE 24 HG12 ILE 24 -1.576 8.463 15.782 185 HG13 ILE 24 HG13 ILE 24 -2.856 7.447 15.109 186 HG21 ILE 24 HG21 ILE 24 0.032 5.711 17.811 187 HG22 ILE 24 HG22 ILE 24 0.130 7.436 17.402 188 HG23 ILE 24 HG23 ILE 24 -1.171 6.824 18.443 189 HD11 ILE 24 HD11 ILE 24 -3.861 8.863 16.725 190 HD12 ILE 24 HD12 ILE 24 -3.877 7.208 17.357 191 HD13 ILE 24 HD13 ILE 24 -2.706 8.396 17.981 192 H CYS 25 H CYS 25 1.719 4.728 15.863 193 HA CYS 25 HA CYS 25 0.820 1.957 15.481 194 HB2 CYS 25 HB2 CYS 25 3.097 1.417 16.430 195 HB3 CYS 25 HB3 CYS 25 3.037 2.240 14.872 196 HG CYS 25 HG CYS 25 3.348 3.793 17.761 197 H SER 26 H SER 26 0.180 0.546 17.013 198 HA SER 26 HA SER 26 -1.523 1.608 18.922 199 HB2 SER 26 HB2 SER 26 -1.738 -0.827 19.645 200 HB3 SER 26 HB3 SER 26 -2.013 -0.471 17.932 201 HG SER 26 HG SER 26 -0.569 -2.231 18.262 202 H TYR 27 H TYR 27 -1.324 2.344 20.836 203 HA TYR 27 HA TYR 27 -0.555 3.152 22.749 204 HB2 TYR 27 HB2 TYR 27 0.551 0.379 23.231 205 HB3 TYR 27 HB3 TYR 27 0.252 1.608 24.450 206 HD1 TYR 27 HD2 TYR 27 -2.175 2.518 24.684 207 HD2 TYR 27 HD1 TYR 27 -1.171 -1.128 22.614 208 HE1 TYR 27 HE2 TYR 27 -4.541 1.770 24.860 209 HE2 TYR 27 HE1 TYR 27 -3.542 -1.879 22.797 210 HH TYR 27 HH TYR 27 -6.039 0.052 24.330 211 H CYS 28 H CYS 28 1.871 2.174 20.589 212 HA CYS 28 HA CYS 28 4.083 3.372 22.083 213 HB2 CYS 28 HB2 CYS 28 4.285 1.263 20.770 214 HB3 CYS 28 HB3 CYS 28 4.062 2.205 19.288 215 HG CYS 28 HG CYS 28 6.600 1.693 19.583 216 H GLY 29 H GLY 29 2.060 5.266 21.772 217 HA2 GLY 29 HA2 GLY 29 3.470 7.502 21.118 218 HA3 GLY 29 HA3 GLY 29 2.756 7.080 19.566 219 H ALA 30 H ALA 30 2.338 9.473 20.947 220 HA ALA 30 HA ALA 30 -0.624 9.405 20.867 221 HB1 ALA 30 HB1 ALA 30 -0.008 9.889 23.189 222 HB2 ALA 30 HB2 ALA 30 1.052 11.213 22.652 223 HB3 ALA 30 HB3 ALA 30 -0.704 11.319 22.408 224 H THR 31 H THR 31 -1.468 10.748 19.405 225 HA THR 31 HA THR 31 0.186 11.287 17.224 226 HB THR 31 HB THR 31 -2.104 10.463 17.211 227 HG1 THR 31 HG1 THR 31 -1.629 12.673 15.607 228 HG21 THR 31 HG21 THR 31 -2.921 13.332 17.821 229 HG22 THR 31 HG22 THR 31 -4.013 12.064 17.215 230 HG23 THR 31 HG23 THR 31 -3.235 11.879 18.791 231 H ASP 32 H ASP 32 -0.302 13.520 19.761 232 HA ASP 32 HA ASP 32 0.588 15.811 18.056 233 HB2 ASP 32 HB2 ASP 32 -1.445 16.059 19.490 234 HB3 ASP 32 HB3 ASP 32 -0.428 15.837 20.907 235 H ASP 33 H ASP 33 1.949 13.467 20.100 236 HA ASP 33 HA ASP 33 4.310 15.172 20.845 237 HB2 ASP 33 HB2 ASP 33 3.048 12.788 22.246 238 HB3 ASP 33 HB3 ASP 33 4.554 13.543 22.729 239 H HIS 34 H HIS 34 3.290 12.359 19.132 240 HA HIS 34 HA HIS 34 5.798 10.915 19.299 241 HB2 HIS 34 HB2 HIS 34 3.559 9.875 19.372 242 HB3 HIS 34 HB3 HIS 34 3.261 10.402 17.711 243 HD1 HIS 34 HD1 HIS 34 4.148 8.744 15.858 244 HD2 HIS 34 HD2 HIS 34 5.629 8.066 19.736 245 HE1 HIS 34 HE1 HIS 34 5.430 6.539 15.776 246 H TYR 35 H TYR 35 7.223 10.425 17.673 247 HA TYR 35 HA TYR 35 6.928 11.424 14.962 248 HB2 TYR 35 HB2 TYR 35 7.906 13.367 16.271 249 HB3 TYR 35 HB3 TYR 35 9.299 12.362 16.639 250 HD1 TYR 35 HD1 TYR 35 7.208 13.427 13.693 251 HD2 TYR 35 HD2 TYR 35 11.173 12.702 15.224 252 HE1 TYR 35 HE1 TYR 35 8.183 14.174 11.528 253 HE2 TYR 35 HE2 TYR 35 12.144 13.442 13.048 254 HH TYR 35 HH TYR 35 11.634 14.261 10.914 255 H SER 36 H SER 36 8.587 10.447 13.533 256 HA SER 36 HA SER 36 8.836 7.676 14.043 257 HB2 SER 36 HB2 SER 36 10.165 7.709 11.934 258 HB3 SER 36 HB3 SER 36 8.672 8.664 11.816 259 HG SER 36 HG SER 36 10.507 9.831 11.093 260 H ARG 37 H ARG 37 11.250 10.247 14.461 261 HA ARG 37 HA ARG 37 13.389 8.401 15.310 262 HB2 ARG 37 HB2 ARG 37 13.174 11.439 15.383 263 HB3 ARG 37 HB3 ARG 37 14.588 10.514 15.889 264 HG2 ARG 37 HG2 ARG 37 14.878 9.596 13.641 265 HG3 ARG 37 HG3 ARG 37 13.409 10.399 13.082 266 HD2 ARG 37 HD2 ARG 37 15.392 11.615 12.364 267 HD3 ARG 37 HD3 ARG 37 14.400 12.598 13.422 268 HE ARG 37 HE ARG 37 17.022 11.305 14.100 269 HH11 ARG 37 HH11 ARG 37 14.627 13.737 14.966 270 HH12 ARG 37 HH12 ARG 37 15.642 14.399 16.230 271 HH21 ARG 37 HH22 ARG 37 18.259 12.225 15.691 272 HH22 ARG 37 HH21 ARG 37 17.650 13.577 16.610 273 H HIS 38 H HIS 38 10.851 10.195 16.887 274 HA HIS 38 HA HIS 38 11.987 9.875 19.581 275 HB2 HIS 38 HB2 HIS 38 10.761 11.922 18.670 276 HB3 HIS 38 HB3 HIS 38 9.278 10.978 18.769 277 HD1 HIS 38 HD1 HIS 38 8.101 12.191 20.786 278 HD2 HIS 38 HD2 HIS 38 12.170 11.363 21.410 279 HE1 HIS 38 HE1 HIS 38 8.607 12.874 23.168 280 H CYS 39 H CYS 39 10.092 8.042 17.522 281 HA CYS 39 HA CYS 39 8.161 6.735 18.197 282 HB2 CYS 39 HB2 CYS 39 9.931 6.027 16.548 283 HB3 CYS 39 HB3 CYS 39 10.620 4.993 17.797 284 HG CYS 39 HG CYS 39 9.148 3.571 16.178 285 HA PRO 40 HA PRO 40 9.307 3.725 21.708 286 HB2 PRO 40 HB2 PRO 40 11.529 4.147 23.307 287 HB3 PRO 40 HB3 PRO 40 11.510 3.152 21.823 288 HG2 PRO 40 HG2 PRO 40 12.313 6.073 22.085 289 HG3 PRO 40 HG3 PRO 40 13.230 4.737 21.308 290 HD2 PRO 40 HD2 PRO 40 11.751 6.350 19.793 291 HD3 PRO 40 HD3 PRO 40 11.672 4.583 19.535 292 H LYS 41 H LYS 41 9.686 7.187 22.244 293 HA LYS 41 HA LYS 41 8.699 7.030 25.031 294 HB2 LYS 41 HB2 LYS 41 9.575 9.363 23.303 295 HB3 LYS 41 HB3 LYS 41 8.810 9.544 24.890 296 HG2 LYS 41 HG2 LYS 41 10.572 8.053 25.877 297 HG3 LYS 41 HG3 LYS 41 11.402 8.042 24.315 298 HD2 LYS 41 HD2 LYS 41 11.753 10.468 24.450 299 HD3 LYS 41 HD3 LYS 41 10.798 10.544 25.951 300 HE2 LYS 41 HE2 LYS 41 12.441 8.993 27.023 301 HE3 LYS 41 HE3 LYS 41 13.404 9.018 25.552 302 HZ1 LYS 41 HZ1 LYS 41 13.694 11.421 25.868 303 HZ2 LYS 41 HZ2 LYS 41 12.802 11.385 27.240 304 HZ3 LYS 41 HZ3 LYS 41 14.233 10.610 27.177 305 H ALA 42 H ALA 42 6.725 6.722 25.433 306 HA ALA 42 HA ALA 42 4.516 7.514 23.590 307 HB1 ALA 42 HB1 ALA 42 3.950 5.122 23.354 308 HB2 ALA 42 HB2 ALA 42 5.586 5.442 22.754 309 HB3 ALA 42 HB3 ALA 42 5.367 4.678 24.337 310 H ILE 43 H ILE 43 2.723 5.526 24.745 311 HA ILE 43 HA ILE 43 1.914 6.992 27.148 312 HB ILE 43 HB ILE 43 0.471 4.651 25.880 313 HG12 ILE 43 HG12 ILE 43 0.285 7.617 25.190 314 HG13 ILE 43 HG13 ILE 43 0.772 6.310 24.111 315 HG21 ILE 43 HG21 ILE 43 -0.092 5.466 28.259 316 HG22 ILE 43 HG22 ILE 43 -0.569 7.004 27.524 317 HG23 ILE 43 HG23 ILE 43 -1.428 5.508 27.107 318 HD11 ILE 43 HD11 ILE 43 -1.461 6.939 23.546 319 HD12 ILE 43 HD12 ILE 43 -1.522 5.330 24.292 320 HD13 ILE 43 HD13 ILE 43 -2.017 6.773 25.215 321 H GLN 44 H GLN 44 3.497 6.515 28.594 322 HA GLN 44 HA GLN 44 3.724 3.726 29.637 323 HB2 GLN 44 HB2 GLN 44 6.122 4.071 29.885 324 HB3 GLN 44 HB3 GLN 44 5.616 4.283 28.213 325 HG2 GLN 44 HG2 GLN 44 5.726 6.767 28.525 326 HG3 GLN 44 HG3 GLN 44 6.241 6.519 30.193 327 HE21 GLN 44 HE22 GLN 44 7.921 8.027 28.728 328 HE22 GLN 44 HE21 GLN 44 9.345 7.089 28.279 329 H CYS 45 H CYS 45 4.531 3.502 31.773 330 HA CYS 45 HA CYS 45 3.168 5.107 33.741 331 HB2 CYS 45 HB2 CYS 45 5.252 2.923 34.146 332 HB3 CYS 45 HB3 CYS 45 4.035 3.469 35.306 333 HG CYS 45 HG CYS 45 3.852 1.687 32.618 334 H SER 46 H SER 46 6.016 5.751 32.199 335 HA SER 46 HA SER 46 7.938 6.858 32.501 336 HB2 SER 46 HB2 SER 46 6.613 7.972 34.977 337 HB3 SER 46 HB3 SER 46 8.074 8.609 34.203 338 HG SER 46 HG SER 46 6.120 9.555 33.412 339 H LYS 47 H LYS 47 7.098 5.012 35.371 340 HA LYS 47 HA LYS 47 9.998 4.393 35.816 341 HB2 LYS 47 HB2 LYS 47 7.732 4.574 37.844 342 HB3 LYS 47 HB3 LYS 47 9.397 4.103 38.196 343 HG2 LYS 47 HG2 LYS 47 10.189 6.340 37.429 344 HG3 LYS 47 HG3 LYS 47 8.518 6.818 37.114 345 HD2 LYS 47 HD2 LYS 47 9.182 7.752 39.210 346 HD3 LYS 47 HD3 LYS 47 7.963 6.508 39.509 347 HE2 LYS 47 HE2 LYS 47 9.763 4.911 40.138 348 HE3 LYS 47 HE3 LYS 47 10.975 6.139 39.799 349 HZ1 LYS 47 HZ1 LYS 47 8.890 6.345 41.898 350 HZ2 LYS 47 HZ2 LYS 47 10.467 6.038 42.161 351 HZ3 LYS 47 HZ3 LYS 47 10.012 7.490 41.582 352 H CYS 48 H CYS 48 7.478 2.992 34.411 353 HA CYS 48 HA CYS 48 8.243 0.235 35.078 354 HB2 CYS 48 HB2 CYS 48 6.723 0.916 36.922 355 HB3 CYS 48 HB3 CYS 48 5.455 1.283 35.752 356 HG CYS 48 HG CYS 48 4.872 -0.917 36.943 357 H ASP 49 H ASP 49 8.649 1.469 32.668 358 HA ASP 49 HA ASP 49 8.182 1.477 30.417 359 HB2 ASP 49 HB2 ASP 49 7.183 -1.307 31.090 360 HB3 ASP 49 HB3 ASP 49 7.688 -0.742 29.505 361 H GLU 50 H GLU 50 6.115 0.118 28.877 362 HA GLU 50 HA GLU 50 4.208 2.090 28.454 363 HB2 GLU 50 HB2 GLU 50 4.840 -0.060 27.144 364 HB3 GLU 50 HB3 GLU 50 3.610 -0.857 28.117 365 HG2 GLU 50 HG2 GLU 50 1.933 0.817 27.258 366 HG3 GLU 50 HG3 GLU 50 3.204 1.523 26.265 367 H VAL 51 H VAL 51 2.064 2.598 29.304 368 HA VAL 51 HA VAL 51 1.246 1.481 31.872 369 HB VAL 51 HB VAL 51 -0.790 2.674 31.674 370 HG11 VAL 51 HG11 VAL 51 -0.084 4.943 31.437 371 HG12 VAL 51 HG12 VAL 51 1.249 4.028 32.148 372 HG13 VAL 51 HG13 VAL 51 1.294 4.489 30.421 373 HG21 VAL 51 HG21 VAL 51 -1.439 3.971 29.653 374 HG22 VAL 51 HG22 VAL 51 -0.152 3.150 28.736 375 HG23 VAL 51 HG23 VAL 51 -1.516 2.232 29.410 376 H GLY 52 H GLY 52 0.895 0.491 28.626 377 HA2 GLY 52 HA2 GLY 52 -1.595 -0.917 28.805 378 HA3 GLY 52 HA3 GLY 52 -0.445 -0.907 27.470 379 H HIS 53 H HIS 53 1.623 -2.028 29.700 380 HA HIS 53 HA HIS 53 1.270 -4.649 28.545 381 HB2 HIS 53 HB2 HIS 53 3.421 -5.197 29.339 382 HB3 HIS 53 HB3 HIS 53 3.449 -3.576 28.669 383 HD1 HIS 53 HD1 HIS 53 3.231 -5.157 32.253 384 HD2 HIS 53 HD2 HIS 53 4.741 -1.875 30.103 385 HE1 HIS 53 HE1 HIS 53 4.597 -3.780 33.895 386 H TYR 54 H TYR 54 0.258 -3.448 31.612 387 HA TYR 54 HA TYR 54 -0.722 -6.171 32.248 388 HB2 TYR 54 HB2 TYR 54 0.398 -4.269 34.330 389 HB3 TYR 54 HB3 TYR 54 -0.467 -5.754 34.672 390 HD1 TYR 54 HD1 TYR 54 0.858 -7.692 32.751 391 HD2 TYR 54 HD2 TYR 54 2.457 -4.634 35.342 392 HE1 TYR 54 HE1 TYR 54 3.007 -8.919 32.876 393 HE2 TYR 54 HE2 TYR 54 4.601 -5.891 35.486 394 HH TYR 54 HH TYR 54 5.170 -8.902 33.781 395 H ARG 55 H ARG 55 -2.725 -6.272 33.094 396 HA ARG 55 HA ARG 55 -4.565 -4.398 32.131 397 HB2 ARG 55 HB2 ARG 55 -4.795 -6.936 32.701 398 HB3 ARG 55 HB3 ARG 55 -5.162 -6.413 34.333 399 HG2 ARG 55 HG2 ARG 55 -7.206 -6.884 33.174 400 HG3 ARG 55 HG3 ARG 55 -7.148 -5.139 33.422 401 HD2 ARG 55 HD2 ARG 55 -6.401 -4.831 31.072 402 HD3 ARG 55 HD3 ARG 55 -6.350 -6.588 30.860 403 HE ARG 55 HE ARG 55 -8.970 -5.876 31.703 404 HH11 ARG 55 HH11 ARG 55 -6.957 -5.503 28.842 405 HH12 ARG 55 HH12 ARG 55 -8.338 -5.422 27.772 406 HH21 ARG 55 HH21 ARG 55 -10.678 -5.759 30.284 407 HH22 ARG 55 HH22 ARG 55 -10.391 -5.549 28.574 408 H SER 56 H SER 56 -6.172 -3.121 33.154 409 HA SER 56 HA SER 56 -6.759 -1.314 34.392 410 HB2 SER 56 HB2 SER 56 -5.622 -2.758 36.818 411 HB3 SER 56 HB3 SER 56 -6.917 -1.544 36.765 412 HG SER 56 HG SER 56 -8.184 -3.045 35.735 413 H GLN 57 H GLN 57 -4.411 -0.954 33.064 414 HA GLN 57 HA GLN 57 -2.455 0.098 32.899 415 HB2 GLN 57 HB2 GLN 57 -2.407 2.415 33.574 416 HB3 GLN 57 HB3 GLN 57 -3.911 1.945 32.797 417 HG2 GLN 57 HG2 GLN 57 -5.100 1.964 34.932 418 HG3 GLN 57 HG3 GLN 57 -3.599 2.267 35.814 419 HE21 GLN 57 HE22 GLN 57 -5.319 4.060 36.519 420 HE22 GLN 57 HE21 GLN 57 -5.158 5.567 35.623 421 H CYS 58 H CYS 58 -1.888 -1.869 34.337 422 HA CYS 58 HA CYS 58 -0.575 -2.918 35.751 423 HB2 CYS 58 HB2 CYS 58 0.849 -0.254 36.038 424 HB3 CYS 58 HB3 CYS 58 1.445 -1.768 36.713 425 HG CYS 58 HG CYS 58 0.652 -1.165 33.565 426 HA PRO 59 HA PRO 59 -2.230 -2.638 39.852 427 HB2 PRO 59 HB2 PRO 59 -0.640 -4.363 41.235 428 HB3 PRO 59 HB3 PRO 59 -1.779 -4.910 39.970 429 HG2 PRO 59 HG2 PRO 59 1.190 -4.343 39.668 430 HG3 PRO 59 HG3 PRO 59 0.294 -5.816 39.172 431 HD2 PRO 59 HD2 PRO 59 0.833 -3.825 37.412 432 HD3 PRO 59 HD3 PRO 59 -0.725 -4.696 37.361 433 H HIS 60 H HIS 60 -1.714 -1.954 42.047 434 HA HIS 60 HA HIS 60 0.873 -0.595 42.512 435 HB2 HIS 60 HB2 HIS 60 -0.591 1.117 41.527 436 HB3 HIS 60 HB3 HIS 60 -1.835 0.775 42.727 437 HD1 HIS 60 HD1 HIS 60 1.748 2.240 42.573 438 HD2 HIS 60 HD2 HIS 60 -1.639 2.030 45.046 439 HE1 HIS 60 HE1 HIS 60 2.206 3.779 44.537 440 H LYS 61 H LYS 61 1.506 -0.520 44.605 441 HA LYS 61 HA LYS 61 -0.300 -1.090 46.846 442 HB2 LYS 61 HB2 LYS 61 0.548 -3.334 46.066 443 HB3 LYS 61 HB3 LYS 61 2.194 -2.781 46.385 444 HG2 LYS 61 HG2 LYS 61 1.597 -2.480 48.803 445 HG3 LYS 61 HG3 LYS 61 -0.058 -2.987 48.439 446 HD2 LYS 61 HD2 LYS 61 1.092 -4.839 49.419 447 HD3 LYS 61 HD3 LYS 61 0.841 -5.220 47.709 448 HE2 LYS 61 HE2 LYS 61 3.183 -4.540 47.226 449 HE3 LYS 61 HE3 LYS 61 3.408 -4.099 48.914 450 HZ1 LYS 61 HZ1 LYS 61 3.034 -6.438 49.500 451 HZ2 LYS 61 HZ2 LYS 61 2.858 -6.841 47.924 452 HZ3 LYS 61 HZ3 LYS 61 4.291 -6.298 48.474 453 H TRP 62 H TRP 62 0.320 -0.062 48.688 454 HA TRP 62 HA TRP 62 3.045 1.178 48.853 455 HB2 TRP 62 HB2 TRP 62 2.083 3.255 49.557 456 HB3 TRP 62 HB3 TRP 62 1.396 2.801 48.013 457 HD1 TRP 62 HD1 TRP 62 -1.180 2.117 47.967 458 HE1 TRP 62 HE1 TRP 62 -3.144 2.625 49.522 459 HE3 TRP 62 HE3 TRP 62 1.428 3.640 52.096 460 HZ2 TRP 62 HZ2 TRP 62 -3.552 3.579 52.203 461 HZ3 TRP 62 HZ3 TRP 62 0.215 4.356 54.138 462 HH2 TRP 62 HH2 TRP 62 -2.264 4.333 54.204 463 H LYS 63 H LYS 63 0.961 -0.897 50.432 464 HA LYS 63 HA LYS 63 1.949 -0.154 53.154 465 HB2 LYS 63 HB2 LYS 63 -0.427 0.511 52.630 466 HB3 LYS 63 HB3 LYS 63 -0.822 -1.198 52.469 467 HG2 LYS 63 HG2 LYS 63 -0.207 -1.569 54.839 468 HG3 LYS 63 HG3 LYS 63 0.308 0.128 54.975 469 HD2 LYS 63 HD2 LYS 63 -2.026 0.860 54.464 470 HD3 LYS 63 HD3 LYS 63 -2.506 -0.828 54.296 471 HE2 LYS 63 HE2 LYS 63 -3.213 -0.180 56.444 472 HE3 LYS 63 HE3 LYS 63 -1.821 -1.220 56.684 473 HZ1 LYS 63 HZ1 LYS 63 -1.783 1.751 56.795 474 HZ2 LYS 63 HZ2 LYS 63 -1.720 0.762 58.084 475 HZ3 LYS 63 HZ3 LYS 63 -0.474 0.801 57.035 476 H LYS 64 H LYS 64 2.378 -1.787 54.596 477 HA LYS 64 HA LYS 64 3.434 -4.235 53.502 478 HB2 LYS 64 HB2 LYS 64 2.995 -3.364 56.389 479 HB3 LYS 64 HB3 LYS 64 3.924 -4.778 55.886 480 HG2 LYS 64 HG2 LYS 64 5.512 -3.351 54.657 481 HG3 LYS 64 HG3 LYS 64 4.599 -1.904 55.123 482 HD2 LYS 64 HD2 LYS 64 5.020 -2.406 57.517 483 HD3 LYS 64 HD3 LYS 64 5.961 -3.839 57.049 484 HE2 LYS 64 HE2 LYS 64 7.536 -2.402 55.801 485 HE3 LYS 64 HE3 LYS 64 6.590 -0.977 56.215 486 HZ1 LYS 64 HZ1 LYS 64 7.993 -2.715 58.171 487 HZ2 LYS 64 HZ2 LYS 64 8.478 -1.232 57.702 488 HZ3 LYS 64 HZ3 LYS 64 7.104 -1.399 58.560 489 H VAL 65 H VAL 65 0.469 -3.536 55.237 490 HA VAL 65 HA VAL 65 -0.460 -6.355 54.896 491 HB VAL 65 HB VAL 65 -0.398 -5.692 57.195 492 HG11 VAL 65 HG11 VAL 65 -2.320 -3.435 56.488 493 HG12 VAL 65 HG12 VAL 65 -1.841 -3.919 58.126 494 HG13 VAL 65 HG13 VAL 65 -0.635 -3.247 57.032 495 HG21 VAL 65 HG21 VAL 65 -2.237 -7.182 56.404 496 HG22 VAL 65 HG22 VAL 65 -2.619 -6.280 57.872 497 HG23 VAL 65 HG23 VAL 65 -3.309 -5.763 56.325 498 H GLN 66 H GLN 66 -2.435 -6.769 53.921 499 HA GLN 66 HA GLN 66 -3.106 -4.843 51.848 500 HB2 GLN 66 HB2 GLN 66 -2.601 -7.346 51.640 501 HB3 GLN 66 HB3 GLN 66 -4.249 -7.639 52.153 502 HG2 GLN 66 HG2 GLN 66 -3.655 -5.753 49.834 503 HG3 GLN 66 HG3 GLN 66 -3.489 -7.477 49.592 504 HE21 GLN 66 HE22 GLN 66 -5.539 -5.269 48.654 505 HE22 GLN 66 HE21 GLN 66 -7.053 -6.143 48.850 506 H CYS 67 H CYS 67 -3.988 -4.206 54.570 507 HA CYS 67 HA CYS 67 -6.877 -3.731 54.068 508 HB2 CYS 67 HB2 CYS 67 -5.735 -4.649 56.741 509 HB3 CYS 67 HB3 CYS 67 -7.420 -4.312 56.373 510 HG CYS 67 HG CYS 67 -7.619 -6.199 54.515 511 H THR 68 H THR 68 -7.677 -1.857 55.065 512 HA THR 68 HA THR 68 -5.829 -0.000 56.445 513 HB THR 68 HB THR 68 -7.715 0.878 55.129 514 HG1 THR 68 HG1 THR 68 -8.137 2.338 56.748 515 HG21 THR 68 HG21 THR 68 -9.531 -0.082 57.386 516 HG22 THR 68 HG22 THR 68 -9.973 0.841 55.939 517 HG23 THR 68 HG23 THR 68 -9.475 -0.844 55.778 518 H LEU 69 H LEU 69 -7.023 0.648 58.718 519 HA LEU 69 HA LEU 69 -7.061 0.186 60.904 520 HB2 LEU 69 HB2 LEU 69 -9.020 -1.019 61.598 521 HB3 LEU 69 HB3 LEU 69 -9.306 0.017 60.223 522 HG LEU 69 HG LEU 69 -9.314 -2.020 58.717 523 HD11 LEU 69 HD11 LEU 69 -9.314 -3.502 61.389 524 HD12 LEU 69 HD12 LEU 69 -9.722 -4.222 59.812 525 HD13 LEU 69 HD13 LEU 69 -8.083 -3.639 60.112 526 HD21 LEU 69 HD21 LEU 69 -11.363 -0.974 59.518 527 HD22 LEU 69 HD22 LEU 69 -11.531 -2.724 59.345 528 HD23 LEU 69 HD23 LEU 69 -11.342 -2.011 60.965 529 H CYS 70 H CYS 70 -5.142 -1.717 59.385 530 HA CYS 70 HA CYS 70 -4.786 -3.766 61.520 531 HB2 CYS 70 HB2 CYS 70 -4.299 -3.742 58.527 532 HB3 CYS 70 HB3 CYS 70 -3.535 -4.943 59.576 533 HG CYS 70 HG CYS 70 -5.788 -5.715 60.735 534 H LYS 71 H LYS 71 -2.705 -4.613 61.852 535 HA LYS 71 HA LYS 71 -0.624 -4.594 62.629 536 HB2 LYS 71 HB2 LYS 71 -0.246 -3.202 59.966 537 HB3 LYS 71 HB3 LYS 71 1.120 -3.686 60.952 538 HG2 LYS 71 HG2 LYS 71 -1.012 -5.591 59.896 539 HG3 LYS 71 HG3 LYS 71 0.598 -5.324 59.213 540 HD2 LYS 71 HD2 LYS 71 1.618 -6.098 61.362 541 HD3 LYS 71 HD3 LYS 71 -0.005 -6.506 61.960 542 HE2 LYS 71 HE2 LYS 71 -0.330 -8.051 60.075 543 HE3 LYS 71 HE3 LYS 71 1.259 -7.641 59.442 544 HZ1 LYS 71 HZ1 LYS 71 2.243 -8.552 61.466 545 HZ2 LYS 71 HZ2 LYS 71 0.772 -8.922 62.076 546 HZ3 LYS 71 HZ3 LYS 71 1.324 -9.686 60.746 547 H SER 72 H SER 72 -2.080 -1.698 62.975 548 HA SER 72 HA SER 72 0.041 -0.450 64.582 549 HB2 SER 72 HB2 SER 72 -1.960 0.729 65.564 550 HB3 SER 72 HB3 SER 72 -1.836 0.877 63.799 551 HG SER 72 HG SER 72 -3.927 0.213 64.470 552 H LYS 73 H LYS 73 -2.506 -2.831 64.990 553 HA LYS 73 HA LYS 73 -1.347 -3.931 67.489 554 HB2 LYS 73 HB2 LYS 73 -4.288 -3.222 67.025 555 HB3 LYS 73 HB3 LYS 73 -3.743 -4.255 68.333 556 HG2 LYS 73 HG2 LYS 73 -2.967 -1.331 68.003 557 HG3 LYS 73 HG3 LYS 73 -4.207 -1.974 69.074 558 HD2 LYS 73 HD2 LYS 73 -2.501 -3.306 70.291 559 HD3 LYS 73 HD3 LYS 73 -1.228 -2.617 69.260 560 HE2 LYS 73 HE2 LYS 73 -1.818 -0.352 70.019 561 HE3 LYS 73 HE3 LYS 73 -3.111 -1.005 71.020 562 HZ1 LYS 73 HZ1 LYS 73 -1.112 -0.602 72.321 563 HZ2 LYS 73 HZ2 LYS 73 -1.426 -2.199 72.309 564 HZ3 LYS 73 HZ3 LYS 73 -0.225 -1.592 71.379 565 H LYS 74 H LYS 74 -2.756 -6.053 67.938 566 HA LYS 74 HA LYS 74 -2.005 -7.985 66.015 567 HB2 LYS 74 HB2 LYS 74 -4.132 -8.147 68.190 568 HB3 LYS 74 HB3 LYS 74 -3.495 -9.526 67.298 569 HG2 LYS 74 HG2 LYS 74 -1.217 -9.050 68.164 570 HG3 LYS 74 HG3 LYS 74 -1.870 -7.699 69.113 571 HD2 LYS 74 HD2 LYS 74 -3.377 -9.292 70.317 572 HD3 LYS 74 HD3 LYS 74 -2.732 -10.615 69.347 573 HE2 LYS 74 HE2 LYS 74 -1.637 -10.715 71.447 574 HE3 LYS 74 HE3 LYS 74 -0.457 -10.168 70.267 575 HZ1 LYS 74 HZ1 LYS 74 -1.917 -8.406 72.162 576 HZ2 LYS 74 HZ2 LYS 74 -0.367 -8.872 72.323 577 HZ3 LYS 74 HZ3 LYS 74 -0.788 -7.895 71.092 578 H HIS 75 H HIS 75 -3.100 -9.288 64.566 579 HA HIS 75 HA HIS 75 -5.328 -7.997 63.150 580 HB2 HIS 75 HB2 HIS 75 -3.318 -8.882 61.997 581 HB3 HIS 75 HB3 HIS 75 -3.774 -10.513 62.478 582 HD1 HIS 75 HD1 HIS 75 -6.169 -11.413 61.325 583 HD2 HIS 75 HD2 HIS 75 -4.412 -7.903 59.831 584 HE1 HIS 75 HE1 HIS 75 -7.260 -10.965 59.067 585 H SER 76 H SER 76 -7.350 -8.335 63.803 586 HA SER 76 HA SER 76 -8.231 -10.592 65.340 587 HB2 SER 76 HB2 SER 76 -9.928 -8.483 63.939 588 HB3 SER 76 HB3 SER 76 -10.369 -9.493 65.336 589 HG SER 76 HG SER 76 -8.862 -8.364 66.519 590 H LYS 77 H LYS 77 -7.628 -12.334 63.847 591 HA LYS 77 HA LYS 77 -8.603 -12.743 61.260 592 HB2 LYS 77 HB2 LYS 77 -6.781 -13.982 62.448 593 HB3 LYS 77 HB3 LYS 77 -8.005 -14.867 63.363 594 HG2 LYS 77 HG2 LYS 77 -8.876 -15.854 61.272 595 HG3 LYS 77 HG3 LYS 77 -7.727 -14.888 60.325 596 HD2 LYS 77 HD2 LYS 77 -5.839 -16.055 61.425 597 HD3 LYS 77 HD3 LYS 77 -6.987 -17.000 62.399 598 HE2 LYS 77 HE2 LYS 77 -7.974 -17.922 60.317 599 HE3 LYS 77 HE3 LYS 77 -6.832 -16.994 59.355 600 HZ1 LYS 77 HZ1 LYS 77 -5.028 -18.262 60.389 601 HZ2 LYS 77 HZ2 LYS 77 -6.089 -19.120 61.290 602 HZ3 LYS 77 HZ3 LYS 77 -6.079 -19.276 59.669 603 H GLU 78 H GLU 78 -10.371 -13.338 64.248 604 HA GLU 78 HA GLU 78 -12.531 -14.786 62.911 605 HB2 GLU 78 HB2 GLU 78 -13.615 -14.792 65.075 606 HB3 GLU 78 HB3 GLU 78 -11.936 -15.312 65.197 607 HG2 GLU 78 HG2 GLU 78 -11.271 -13.153 66.121 608 HG3 GLU 78 HG3 GLU 78 -12.870 -12.482 65.841 609 H ARG 79 H ARG 79 -11.846 -11.479 63.000 610 HA ARG 79 HA ARG 79 -14.717 -10.694 62.615 611 HB2 ARG 79 HB2 ARG 79 -13.738 -10.253 64.898 612 HB3 ARG 79 HB3 ARG 79 -12.595 -9.140 64.148 613 HG2 ARG 79 HG2 ARG 79 -14.442 -7.717 63.369 614 HG3 ARG 79 HG3 ARG 79 -15.635 -8.868 63.984 615 HD2 ARG 79 HD2 ARG 79 -13.609 -7.355 65.683 616 HD3 ARG 79 HD3 ARG 79 -15.289 -6.873 65.430 617 HE ARG 79 HE ARG 79 -15.166 -9.576 66.426 618 HH11 ARG 79 HH11 ARG 79 -14.890 -6.261 67.574 619 HH12 ARG 79 HH12 ARG 79 -15.372 -6.695 69.201 620 HH21 ARG 79 HH21 ARG 79 -15.731 -10.056 68.516 621 HH22 ARG 79 HH22 ARG 79 -15.844 -8.791 69.712 622 H CYS 80 H CYS 80 -11.381 -10.036 61.645 623 HA CYS 80 HA CYS 80 -12.082 -7.734 60.054 624 HB2 CYS 80 HB2 CYS 80 -9.965 -7.893 61.212 625 HB3 CYS 80 HB3 CYS 80 -9.488 -9.314 60.277 626 HG CYS 80 HG CYS 80 -10.236 -6.289 59.164 627 HA PRO 81 HA PRO 81 -11.190 -10.500 56.238 628 HB2 PRO 81 HB2 PRO 81 -12.139 -13.204 57.159 629 HB3 PRO 81 HB3 PRO 81 -10.818 -12.801 56.027 630 HG2 PRO 81 HG2 PRO 81 -10.259 -13.542 58.563 631 HG3 PRO 81 HG3 PRO 81 -9.383 -12.155 57.834 632 HD2 PRO 81 HD2 PRO 81 -11.794 -12.087 59.678 633 HD3 PRO 81 HD3 PRO 81 -10.268 -11.165 59.794 634 H SER 82 H SER 82 -13.964 -11.411 58.255 635 HA SER 82 HA SER 82 -15.871 -10.666 56.129 636 HB2 SER 82 HB2 SER 82 -17.138 -12.838 56.542 637 HB3 SER 82 HB3 SER 82 -15.665 -12.928 55.562 638 HG SER 82 HG SER 82 -15.883 -13.654 58.252 639 H ILE 83 H ILE 83 -17.755 -9.846 56.868 640 HA ILE 83 HA ILE 83 -18.402 -9.898 59.752 641 HB ILE 83 HB ILE 83 -16.970 -7.985 59.516 642 HG12 ILE 83 HG12 ILE 83 -19.864 -7.090 59.817 643 HG13 ILE 83 HG13 ILE 83 -18.930 -7.946 61.046 644 HG21 ILE 83 HG21 ILE 83 -18.886 -6.811 57.458 645 HG22 ILE 83 HG22 ILE 83 -17.414 -6.063 58.102 646 HG23 ILE 83 HG23 ILE 83 -17.286 -7.491 57.086 647 HD11 ILE 83 HD11 ILE 83 -18.938 -5.608 61.590 648 HD12 ILE 83 HD12 ILE 83 -17.297 -6.036 61.072 649 HD13 ILE 83 HD13 ILE 83 -18.386 -5.151 59.973 650 H TRP 84 H TRP 84 -20.467 -10.035 60.179 651 HA TRP 84 HA TRP 84 -22.649 -10.556 59.879 652 HB2 TRP 84 HB2 TRP 84 -22.617 -7.898 58.448 653 HB3 TRP 84 HB3 TRP 84 -24.017 -8.661 59.187 654 HD1 TRP 84 HD1 TRP 84 -22.563 -9.519 61.946 655 HE1 TRP 84 HE1 TRP 84 -22.090 -7.741 63.707 656 HE3 TRP 84 HE3 TRP 84 -22.755 -5.357 58.971 657 HZ2 TRP 84 HZ2 TRP 84 -21.837 -4.884 63.845 658 HZ3 TRP 84 HZ3 TRP 84 -22.415 -3.108 59.967 659 HH2 TRP 84 HH2 TRP 84 -21.956 -2.859 62.391 660 H ARG 85 H ARG 85 -21.096 -11.846 57.915 661 HA ARG 85 HA ARG 85 -22.669 -11.960 55.432 662 HB2 ARG 85 HB2 ARG 85 -20.205 -12.145 55.458 663 HB3 ARG 85 HB3 ARG 85 -20.317 -13.619 56.421 664 HG2 ARG 85 HG2 ARG 85 -21.491 -14.759 54.558 665 HG3 ARG 85 HG3 ARG 85 -21.439 -13.257 53.607 666 HD2 ARG 85 HD2 ARG 85 -18.961 -13.296 53.701 667 HD3 ARG 85 HD3 ARG 85 -19.021 -14.792 54.642 668 HE ARG 85 HE ARG 85 -20.467 -15.112 52.173 669 HH11 ARG 85 HH11 ARG 85 -17.154 -14.947 53.337 670 HH12 ARG 85 HH12 ARG 85 -16.535 -15.864 51.980 671 HH21 ARG 85 HH21 ARG 85 -19.614 -16.284 50.480 672 HH22 ARG 85 HH22 ARG 85 -17.899 -16.606 50.410 673 H ALA 86 H ALA 86 -24.373 -13.238 55.099 674 HA ALA 86 HA ALA 86 -25.131 -15.186 57.194 675 HB1 ALA 86 HB1 ALA 86 -26.764 -14.003 54.926 676 HB2 ALA 86 HB2 ALA 86 -27.367 -15.017 56.256 677 HB3 ALA 86 HB3 ALA 86 -26.715 -13.410 56.604 678 H TYR 87 H TYR 87 -25.661 -17.274 56.858 679 HA TYR 87 HA TYR 87 -24.949 -18.561 54.258 680 HB2 TYR 87 HB2 TYR 87 -24.567 -19.657 57.059 681 HB3 TYR 87 HB3 TYR 87 -24.151 -20.471 55.557 682 HD1 TYR 87 HD2 TYR 87 -22.510 -19.251 53.942 683 HD2 TYR 87 HD1 TYR 87 -22.910 -18.314 58.132 684 HE1 TYR 87 HE2 TYR 87 -20.270 -18.154 53.917 685 HE2 TYR 87 HE1 TYR 87 -20.673 -17.231 58.106 686 HH TYR 87 HH TYR 87 -18.821 -16.724 56.780 687 H ILE 88 H ILE 88 -27.516 -17.534 54.877 688 HA ILE 88 HA ILE 88 -29.268 -19.601 55.853 689 HB ILE 88 HB ILE 88 -31.094 -18.068 55.043 690 HG12 ILE 88 HG12 ILE 88 -30.559 -15.728 54.604 691 HG13 ILE 88 HG13 ILE 88 -28.840 -16.079 54.508 692 HG21 ILE 88 HG21 ILE 88 -30.718 -16.494 56.871 693 HG22 ILE 88 HG22 ILE 88 -30.226 -18.122 57.341 694 HG23 ILE 88 HG23 ILE 88 -28.996 -16.914 56.920 695 HD11 ILE 88 HD11 ILE 88 -30.029 -15.761 52.307 696 HD12 ILE 88 HD12 ILE 88 -29.139 -17.283 52.426 697 HD13 ILE 88 HD13 ILE 88 -30.916 -17.265 52.614 698 H LEU 89 H LEU 89 -31.158 -20.413 54.714 699 HA LEU 89 HA LEU 89 -30.411 -21.496 52.031 700 HB2 LEU 89 HB2 LEU 89 -32.176 -22.678 54.197 701 HB3 LEU 89 HB3 LEU 89 -31.853 -23.407 52.630 702 HG LEU 89 HG LEU 89 -29.778 -22.920 54.814 703 HD11 LEU 89 HD11 LEU 89 -31.406 -24.697 55.347 704 HD12 LEU 89 HD12 LEU 89 -31.060 -25.489 53.795 705 HD13 LEU 89 HD13 LEU 89 -29.795 -25.364 55.040 706 HD21 LEU 89 HD21 LEU 89 -28.697 -22.837 52.608 707 HD22 LEU 89 HD22 LEU 89 -28.305 -24.357 53.418 708 HD23 LEU 89 HD23 LEU 89 -29.523 -24.336 52.124 709 H VAL 90 H VAL 90 -31.937 -21.747 50.479 710 HA VAL 90 HA VAL 90 -34.667 -20.730 50.779 711 HB VAL 90 HB VAL 90 -33.339 -18.817 49.982 712 HG11 VAL 90 HG11 VAL 90 -31.652 -19.976 48.589 713 HG12 VAL 90 HG12 VAL 90 -32.906 -20.307 47.371 714 HG13 VAL 90 HG13 VAL 90 -32.460 -18.639 47.761 715 HG21 VAL 90 HG21 VAL 90 -34.844 -18.106 48.231 716 HG22 VAL 90 HG22 VAL 90 -35.395 -19.768 47.959 717 HG23 VAL 90 HG23 VAL 90 -35.721 -18.958 49.508 718 H ASP 91 H ASP 91 -33.792 -23.250 50.911 719 HA ASP 91 HA ASP 91 -34.082 -24.548 48.234 720 HB2 ASP 91 HB2 ASP 91 -32.361 -25.281 50.627 721 HB3 ASP 91 HB3 ASP 91 -32.490 -26.199 49.132 722 H ASP 92 H ASP 92 -36.084 -25.335 48.144 723 HA ASP 92 HA ASP 92 -37.302 -26.708 50.494 724 HB2 ASP 92 HB2 ASP 92 -39.287 -25.481 50.159 725 HB3 ASP 92 HB3 ASP 92 -37.983 -24.309 50.170 726 H ASN 93 H ASN 93 -39.273 -27.934 49.996 727 HA ASN 93 HA ASN 93 -38.680 -29.729 47.727 728 HB2 ASN 93 HB2 ASN 93 -38.532 -30.448 50.161 729 HB3 ASN 93 HB3 ASN 93 -40.287 -30.292 50.236 730 HD21 ASN 93 HD22 ASN 93 -40.748 -32.506 50.553 731 HD22 ASN 93 HD21 ASN 93 -40.342 -33.730 49.353 732 H GLU 94 H GLU 94 -40.638 -27.240 47.649 733 HA GLU 94 HA GLU 94 -43.229 -28.389 47.115 734 HB2 GLU 94 HB2 GLU 94 -42.846 -26.025 47.771 735 HB3 GLU 94 HB3 GLU 94 -42.132 -25.716 46.176 736 HG2 GLU 94 HG2 GLU 94 -44.264 -26.357 45.100 737 HG3 GLU 94 HG3 GLU 94 -44.958 -26.741 46.668 738 H LYS 95 H LYS 95 -43.877 -29.522 45.429 739 HA LYS 95 HA LYS 95 -42.031 -30.101 43.263 740 HB2 LYS 95 HB2 LYS 95 -44.813 -31.170 43.874 741 HB3 LYS 95 HB3 LYS 95 -43.717 -31.811 42.649 742 HG2 LYS 95 HG2 LYS 95 -42.029 -32.298 44.423 743 HG3 LYS 95 HG3 LYS 95 -43.182 -31.746 45.650 744 HD2 LYS 95 HD2 LYS 95 -44.789 -33.500 44.922 745 HD3 LYS 95 HD3 LYS 95 -43.602 -34.075 43.731 746 HE2 LYS 95 HE2 LYS 95 -41.985 -34.504 45.566 747 HE3 LYS 95 HE3 LYS 95 -43.164 -33.938 46.743 748 HZ1 LYS 95 HZ1 LYS 95 -43.179 -36.351 46.581 749 HZ2 LYS 95 HZ2 LYS 95 -44.618 -35.777 46.079 750 HZ3 LYS 95 HZ3 LYS 95 -43.518 -36.306 44.989 751 H ALA 96 H ALA 96 -44.859 -28.136 43.480 752 HA ALA 96 HA ALA 96 -46.068 -26.866 42.116 753 HB1 ALA 96 HB1 ALA 96 -43.557 -26.737 40.424 754 HB2 ALA 96 HB2 ALA 96 -44.878 -25.556 40.470 755 HB3 ALA 96 HB3 ALA 96 -43.867 -25.799 41.903 756 H LYS 97 H LYS 97 -44.982 -29.726 40.534 757 HA LYS 97 HA LYS 97 -45.673 -30.980 38.809 758 HB2 LYS 97 HB2 LYS 97 -47.452 -31.286 40.465 759 HB3 LYS 97 HB3 LYS 97 -48.409 -30.027 39.702 760 HG2 LYS 97 HG2 LYS 97 -49.161 -32.295 39.122 761 HG3 LYS 97 HG3 LYS 97 -48.694 -31.393 37.688 762 HD2 LYS 97 HD2 LYS 97 -46.548 -32.608 37.580 763 HD3 LYS 97 HD3 LYS 97 -46.937 -33.453 39.097 764 HE2 LYS 97 HE2 LYS 97 -48.930 -34.449 38.000 765 HE3 LYS 97 HE3 LYS 97 -48.531 -33.606 36.506 766 HZ1 LYS 97 HZ1 LYS 97 -46.834 -35.661 37.812 767 HZ2 LYS 97 HZ2 LYS 97 -47.715 -35.881 36.461 768 HZ3 LYS 97 HZ3 LYS 97 -46.441 -34.866 36.439 769 HA PRO 98 HA PRO 98 -46.034 -27.806 35.453 770 HB2 PRO 98 HB2 PRO 98 -43.806 -28.582 34.076 771 HB3 PRO 98 HB3 PRO 98 -43.760 -27.389 35.408 772 HG2 PRO 98 HG2 PRO 98 -43.160 -30.358 35.551 773 HG3 PRO 98 HG3 PRO 98 -42.186 -29.002 36.199 774 HD2 PRO 98 HD2 PRO 98 -43.898 -30.421 37.760 775 HD3 PRO 98 HD3 PRO 98 -43.685 -28.663 37.991 776 H LYS 99 H LYS 99 -46.748 -28.353 33.367 777 HA LYS 99 HA LYS 99 -47.233 -31.239 32.757 778 HB2 LYS 99 HB2 LYS 99 -49.287 -28.990 32.714 779 HB3 LYS 99 HB3 LYS 99 -49.545 -30.609 32.057 780 HG2 LYS 99 HG2 LYS 99 -49.199 -31.595 34.310 781 HG3 LYS 99 HG3 LYS 99 -48.929 -29.982 34.976 782 HD2 LYS 99 HD2 LYS 99 -51.155 -30.636 35.510 783 HD3 LYS 99 HD3 LYS 99 -51.237 -29.323 34.332 784 HE2 LYS 99 HE2 LYS 99 -51.700 -30.948 32.531 785 HE3 LYS 99 HE3 LYS 99 -51.501 -32.284 33.661 786 HZ1 LYS 99 HZ1 LYS 99 -53.842 -31.744 33.337 787 HZ2 LYS 99 HZ2 LYS 99 -53.432 -31.467 34.884 788 HZ3 LYS 99 HZ3 LYS 99 -53.619 -30.214 33.855 789 H VAL 100 H VAL 100 -47.597 -31.767 30.629 790 HA VAL 100 HA VAL 100 -46.666 -29.813 28.567 791 HB VAL 100 HB VAL 100 -45.886 -31.710 27.242 792 HG11 VAL 100 HG11 VAL 100 -44.704 -31.699 30.045 793 HG12 VAL 100 HG12 VAL 100 -43.907 -32.213 28.546 794 HG13 VAL 100 HG13 VAL 100 -44.354 -30.515 28.766 795 HG21 VAL 100 HG21 VAL 100 -46.469 -33.454 29.682 796 HG22 VAL 100 HG22 VAL 100 -47.388 -33.491 28.158 797 HG23 VAL 100 HG23 VAL 100 -45.680 -33.945 28.173 798 H LEU 101 H LEU 101 -49.461 -30.601 29.659 799 HA LEU 101 HA LEU 101 -50.961 -31.440 27.351 800 HB2 LEU 101 HB2 LEU 101 -51.683 -31.708 29.693 801 HB3 LEU 101 HB3 LEU 101 -51.799 -29.960 29.871 802 HG LEU 101 HG LEU 101 -53.635 -29.906 28.194 803 HD11 LEU 101 HD11 LEU 101 -54.719 -32.054 27.531 804 HD12 LEU 101 HD12 LEU 101 -53.110 -31.887 26.824 805 HD13 LEU 101 HD13 LEU 101 -53.353 -32.950 28.232 806 HD21 LEU 101 HD21 LEU 101 -54.115 -30.140 30.598 807 HD22 LEU 101 HD22 LEU 101 -55.317 -30.993 29.618 808 HD23 LEU 101 HD23 LEU 101 -54.043 -31.912 30.449 809 HA PRO 102 HA PRO 102 -51.533 -26.640 26.585 810 HB2 PRO 102 HB2 PRO 102 -48.660 -25.909 27.131 811 HB3 PRO 102 HB3 PRO 102 -50.123 -24.882 27.235 812 HG2 PRO 102 HG2 PRO 102 -49.032 -25.884 29.491 813 HG3 PRO 102 HG3 PRO 102 -50.813 -25.962 29.267 814 HD2 PRO 102 HD2 PRO 102 -48.756 -28.125 28.760 815 HD3 PRO 102 HD3 PRO 102 -50.304 -28.238 29.655 816 H PHE 103 H PHE 103 -50.843 -25.529 24.581 817 HA PHE 103 HA PHE 103 -50.140 -27.421 22.592 818 HB2 PHE 103 HB2 PHE 103 -51.639 -25.437 22.320 819 HB3 PHE 103 HB3 PHE 103 -50.213 -24.407 22.299 820 HD1 PHE 103 HD1 PHE 103 -51.652 -27.462 20.615 821 HD2 PHE 103 HD2 PHE 103 -49.251 -23.910 20.188 822 HE1 PHE 103 HE1 PHE 103 -51.420 -27.908 18.187 823 HE2 PHE 103 HE2 PHE 103 -49.028 -24.360 17.758 824 HZ PHE 103 HZ PHE 103 -50.103 -26.363 16.758 825 H HIS 104 H HIS 104 -48.461 -27.378 21.019 826 HA HIS 104 HA HIS 104 -46.107 -27.879 22.472 827 HB2 HIS 104 HB2 HIS 104 -46.544 -28.064 19.476 828 HB3 HIS 104 HB3 HIS 104 -45.366 -28.965 20.427 829 HD1 HIS 104 HD1 HIS 104 -48.690 -29.443 18.996 830 HD2 HIS 104 HD2 HIS 104 -46.711 -30.539 22.534 831 HE1 HIS 104 HE1 HIS 104 -50.007 -31.376 19.978 832 H THR 105 H THR 105 -46.747 -24.867 21.294 833 HA THR 105 HA THR 105 -44.069 -24.252 20.202 834 HB THR 105 HB THR 105 -45.202 -22.057 19.682 835 HG1 THR 105 HG1 THR 105 -47.383 -22.011 20.060 836 HG21 THR 105 HG21 THR 105 -46.605 -22.912 17.881 837 HG22 THR 105 HG22 THR 105 -45.141 -23.892 17.998 838 HG23 THR 105 HG23 THR 105 -46.676 -24.519 18.637 839 H ILE 106 H ILE 106 -45.477 -24.088 23.304 840 HA ILE 106 HA ILE 106 -43.671 -21.846 24.108 841 HB ILE 106 HB ILE 106 -45.058 -21.487 26.052 842 HG12 ILE 106 HG12 ILE 106 -46.994 -23.522 24.866 843 HG13 ILE 106 HG13 ILE 106 -46.061 -23.714 26.356 844 HG21 ILE 106 HG21 ILE 106 -46.696 -21.335 23.495 845 HG22 ILE 106 HG22 ILE 106 -46.797 -20.265 24.908 846 HG23 ILE 106 HG23 ILE 106 -45.354 -20.244 23.893 847 HD11 ILE 106 HD11 ILE 106 -48.287 -23.122 26.978 848 HD12 ILE 106 HD12 ILE 106 -47.269 -21.701 27.294 849 HD13 ILE 106 HD13 ILE 106 -48.325 -21.750 25.864 850 H TYR 107 H TYR 107 -42.170 -22.072 25.653 851 HA TYR 107 HA TYR 107 -41.976 -24.428 27.345 852 HB2 TYR 107 HB2 TYR 107 -39.957 -25.321 26.483 853 HB3 TYR 107 HB3 TYR 107 -41.146 -25.323 25.207 854 HD1 TYR 107 HD2 TYR 107 -40.853 -22.576 23.960 855 HD2 TYR 107 HD1 TYR 107 -37.914 -25.380 25.455 856 HE1 TYR 107 HE2 TYR 107 -39.164 -21.656 22.411 857 HE2 TYR 107 HE1 TYR 107 -36.250 -24.473 23.859 858 HH TYR 107 HH TYR 107 -35.892 -22.893 22.167 859 H CYS 108 H CYS 108 -40.988 -23.935 29.223 860 HA CYS 108 HA CYS 108 -39.659 -21.315 29.483 861 HB2 CYS 108 HB2 CYS 108 -40.057 -21.607 31.878 862 HB3 CYS 108 HB3 CYS 108 -41.526 -21.802 30.918 863 HG CYS 108 HG CYS 108 -39.645 -24.077 32.361 864 H TYR 109 H TYR 109 -37.771 -21.000 30.806 865 HA TYR 109 HA TYR 109 -35.765 -23.232 30.648 866 HB2 TYR 109 HB2 TYR 109 -35.523 -21.681 28.758 867 HB3 TYR 109 HB3 TYR 109 -35.385 -20.322 29.865 868 HD1 TYR 109 HD2 TYR 109 -33.770 -23.486 28.737 869 HD2 TYR 109 HD1 TYR 109 -33.263 -19.797 30.913 870 HE1 TYR 109 HE2 TYR 109 -31.314 -23.894 28.868 871 HE2 TYR 109 HE1 TYR 109 -30.816 -20.210 31.046 872 HH TYR 109 HH TYR 109 -29.098 -21.700 30.472 873 H ASN 110 H ASN 110 -36.549 -20.105 32.214 874 HA ASN 110 HA ASN 110 -34.665 -20.529 34.401 875 HB2 ASN 110 HB2 ASN 110 -36.805 -18.449 33.830 876 HB3 ASN 110 HB3 ASN 110 -35.775 -18.424 35.267 877 HD21 ASN 110 HD22 ASN 110 -33.450 -18.136 35.014 878 HD22 ASN 110 HD21 ASN 110 -32.861 -17.344 33.557 879 H CYS 111 H CYS 111 -37.386 -22.141 33.797 880 HA CYS 111 HA CYS 111 -37.639 -23.007 36.587 881 HB2 CYS 111 HB2 CYS 111 -39.509 -21.475 36.374 882 HB3 CYS 111 HB3 CYS 111 -39.977 -22.179 34.819 883 HG CYS 111 HG CYS 111 -39.873 -23.706 37.760 884 H GLY 112 H GLY 112 -38.046 -25.226 36.726 885 HA2 GLY 112 HA2 GLY 112 -36.938 -26.820 34.641 886 HA3 GLY 112 HA3 GLY 112 -37.685 -27.413 36.117 887 H GLY 113 H GLY 113 -37.852 -28.814 33.793 888 HA2 GLY 113 HA2 GLY 113 -39.418 -30.201 32.845 889 HA3 GLY 113 HA3 GLY 113 -40.700 -29.250 33.590 890 H LYS 114 H LYS 114 -39.318 -26.871 32.024 891 HA LYS 114 HA LYS 114 -39.863 -25.627 30.211 892 HB2 LYS 114 HB2 LYS 114 -38.709 -26.281 28.267 893 HB3 LYS 114 HB3 LYS 114 -37.805 -26.730 29.699 894 HG2 LYS 114 HG2 LYS 114 -38.410 -29.092 29.414 895 HG3 LYS 114 HG3 LYS 114 -39.419 -28.686 28.008 896 HD2 LYS 114 HD2 LYS 114 -37.422 -27.796 26.835 897 HD3 LYS 114 HD3 LYS 114 -36.417 -28.189 28.244 898 HE2 LYS 114 HE2 LYS 114 -37.032 -30.586 27.988 899 HE3 LYS 114 HE3 LYS 114 -37.990 -30.183 26.566 900 HZ1 LYS 114 HZ1 LYS 114 -35.773 -30.959 25.957 901 HZ2 LYS 114 HZ2 LYS 114 -35.948 -29.410 25.488 902 HZ3 LYS 114 HZ3 LYS 114 -35.059 -29.771 26.810 903 H GLY 115 H GLY 115 -42.262 -26.938 31.036 904 HA2 GLY 115 HA2 GLY 115 -43.595 -27.817 28.541 905 HA3 GLY 115 HA3 GLY 115 -44.154 -28.044 30.186 906 H HIS 116 H HIS 116 -43.703 -24.880 30.468 907 HA HIS 116 HA HIS 116 -46.253 -24.054 29.195 908 HB2 HIS 116 HB2 HIS 116 -47.339 -23.670 31.315 909 HB3 HIS 116 HB3 HIS 116 -46.852 -25.353 31.216 910 HD1 HIS 116 HD1 HIS 116 -46.432 -22.326 33.397 911 HD2 HIS 116 HD2 HIS 116 -44.573 -26.036 32.734 912 HE1 HIS 116 HE1 HIS 116 -44.970 -22.770 35.424 913 H PHE 117 H PHE 117 -46.853 -21.917 29.449 914 HA PHE 117 HA PHE 117 -46.520 -19.681 29.317 915 HB2 PHE 117 HB2 PHE 117 -47.328 -20.413 31.558 916 HB3 PHE 117 HB3 PHE 117 -45.713 -20.195 32.191 917 HD1 PHE 117 HD2 PHE 117 -48.353 -18.339 30.217 918 HD2 PHE 117 HD1 PHE 117 -45.306 -18.111 33.261 919 HE1 PHE 117 HE2 PHE 117 -48.976 -15.984 30.669 920 HE2 PHE 117 HE1 PHE 117 -45.940 -15.757 33.708 921 HZ PHE 117 HZ PHE 117 -47.772 -14.690 32.415 922 H GLY 118 H GLY 118 -44.241 -20.846 28.217 923 HA2 GLY 118 HA2 GLY 118 -41.767 -20.220 29.209 924 HA3 GLY 118 HA3 GLY 118 -42.125 -20.432 27.490 925 H ASP 119 H ASP 119 -43.857 -17.828 27.840 926 HA ASP 119 HA ASP 119 -41.960 -15.929 26.841 927 HB2 ASP 119 HB2 ASP 119 -44.442 -15.975 26.446 928 HB3 ASP 119 HB3 ASP 119 -44.684 -15.490 28.118 929 H ASP 120 H ASP 120 -43.164 -16.559 30.117 930 HA ASP 120 HA ASP 120 -41.294 -14.537 31.275 931 HB2 ASP 120 HB2 ASP 120 -43.577 -13.578 30.878 932 HB3 ASP 120 HB3 ASP 120 -44.246 -14.809 31.935 933 H CYS 121 H CYS 121 -42.593 -17.722 31.520 934 HA CYS 121 HA CYS 121 -42.697 -18.097 34.279 935 HB2 CYS 121 HB2 CYS 121 -43.677 -19.603 32.633 936 HB3 CYS 121 HB3 CYS 121 -42.064 -20.098 32.087 937 HG CYS 121 HG CYS 121 -43.430 -20.376 35.092 938 H LYS 122 H LYS 122 -41.297 -17.905 35.755 939 HA LYS 122 HA LYS 122 -38.597 -19.096 35.736 940 HB2 LYS 122 HB2 LYS 122 -38.137 -16.851 34.996 941 HB3 LYS 122 HB3 LYS 122 -39.263 -16.149 36.145 942 HG2 LYS 122 HG2 LYS 122 -37.839 -16.542 38.008 943 HG3 LYS 122 HG3 LYS 122 -36.789 -17.633 37.091 944 HD2 LYS 122 HD2 LYS 122 -36.078 -15.765 35.650 945 HD3 LYS 122 HD3 LYS 122 -37.121 -14.645 36.524 946 HE2 LYS 122 HE2 LYS 122 -34.937 -16.257 37.900 947 HE3 LYS 122 HE3 LYS 122 -34.588 -14.736 37.088 948 HZ1 LYS 122 HZ1 LYS 122 -34.995 -14.369 39.427 949 HZ2 LYS 122 HZ2 LYS 122 -36.195 -13.643 38.577 950 HZ3 LYS 122 HZ3 LYS 122 -36.445 -15.045 39.366 951 H GLU 123 H GLU 123 -37.963 -19.737 37.782 952 HA GLU 123 HA GLU 123 -39.836 -19.215 40.046 953 HB2 GLU 123 HB2 GLU 123 -39.010 -21.147 41.162 954 HB3 GLU 123 HB3 GLU 123 -39.644 -21.577 39.576 955 HG2 GLU 123 HG2 GLU 123 -37.284 -21.665 38.708 956 HG3 GLU 123 HG3 GLU 123 -36.707 -21.345 40.343 957 H LYS 124 H LYS 124 -39.133 -18.339 41.888 958 HA LYS 124 HA LYS 124 -38.000 -16.844 43.190 959 HB2 LYS 124 HB2 LYS 124 -35.736 -18.779 42.593 960 HB3 LYS 124 HB3 LYS 124 -35.774 -17.638 43.940 961 HG2 LYS 124 HG2 LYS 124 -37.686 -18.736 44.938 962 HG3 LYS 124 HG3 LYS 124 -37.885 -19.799 43.537 963 HD2 LYS 124 HD2 LYS 124 -35.664 -20.806 43.970 964 HD3 LYS 124 HD3 LYS 124 -35.521 -19.823 45.450 965 HE2 LYS 124 HE2 LYS 124 -37.525 -20.837 46.377 966 HE3 LYS 124 HE3 LYS 124 -37.891 -21.643 44.856 967 HZ1 LYS 124 HZ1 LYS 124 -35.558 -22.239 46.567 968 HZ2 LYS 124 HZ2 LYS 124 -36.900 -23.118 46.445 969 HZ3 LYS 124 HZ3 LYS 124 -35.907 -23.003 45.145 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -19.062 17.494 1.079 2 H2 LYS 1 H2 LYS 1 -20.484 17.450 0.275 3 H3 LYS 1 H3 LYS 1 -19.102 17.046 -0.499 4 HA LYS 1 HA LYS 1 -20.384 15.064 0.051 5 HB2 LYS 1 HB2 LYS 1 -17.810 15.327 1.662 6 HB3 LYS 1 HB3 LYS 1 -18.630 13.816 1.324 7 HG2 LYS 1 HG2 LYS 1 -17.425 15.638 -0.802 8 HG3 LYS 1 HG3 LYS 1 -16.660 14.217 -0.098 9 HD2 LYS 1 HD2 LYS 1 -18.502 12.776 -0.977 10 HD3 LYS 1 HD3 LYS 1 -19.258 14.200 -1.696 11 HE2 LYS 1 HE2 LYS 1 -18.078 13.095 -3.431 12 HE3 LYS 1 HE3 LYS 1 -17.218 14.581 -3.074 13 HZ1 LYS 1 HZ1 LYS 1 -16.429 11.889 -2.092 14 HZ2 LYS 1 HZ2 LYS 1 -15.723 12.676 -3.329 15 HZ3 LYS 1 HZ3 LYS 1 -15.593 13.271 -1.822 16 H GLU 2 H GLU 2 -21.678 13.960 1.468 17 HA GLU 2 HA GLU 2 -22.550 15.425 3.851 18 HB2 GLU 2 HB2 GLU 2 -24.469 13.915 3.822 19 HB3 GLU 2 HB3 GLU 2 -24.233 14.801 2.325 20 HG2 GLU 2 HG2 GLU 2 -23.306 12.816 1.225 21 HG3 GLU 2 HG3 GLU 2 -23.407 11.893 2.714 22 H ALA 3 H ALA 3 -20.145 14.694 4.560 23 HA ALA 3 HA ALA 3 -19.840 12.082 5.671 24 HB1 ALA 3 HB1 ALA 3 -17.813 12.996 6.665 25 HB2 ALA 3 HB2 ALA 3 -17.970 13.551 4.990 26 HB3 ALA 3 HB3 ALA 3 -18.355 14.655 6.328 27 H ALA 4 H ALA 4 -20.967 11.249 7.308 28 HA ALA 4 HA ALA 4 -22.090 12.784 9.488 29 HB1 ALA 4 HB1 ALA 4 -21.833 9.794 8.993 30 HB2 ALA 4 HB2 ALA 4 -22.636 10.519 10.401 31 HB3 ALA 4 HB3 ALA 4 -23.245 10.832 8.766 32 HA PRO 5 HA PRO 5 -18.497 11.248 12.189 33 HB2 PRO 5 HB2 PRO 5 -16.447 9.732 11.277 34 HB3 PRO 5 HB3 PRO 5 -18.041 9.022 11.680 35 HG2 PRO 5 HG2 PRO 5 -17.070 9.914 8.929 36 HG3 PRO 5 HG3 PRO 5 -17.725 8.305 9.393 37 HD2 PRO 5 HD2 PRO 5 -19.291 10.194 8.300 38 HD3 PRO 5 HD3 PRO 5 -19.886 9.188 9.663 39 H LYS 6 H LYS 6 -17.599 12.222 8.949 40 HA LYS 6 HA LYS 6 -16.058 13.558 7.978 41 HB2 LYS 6 HB2 LYS 6 -17.358 15.190 9.102 42 HB3 LYS 6 HB3 LYS 6 -16.479 15.003 10.604 43 HG2 LYS 6 HG2 LYS 6 -15.971 17.068 9.474 44 HG3 LYS 6 HG3 LYS 6 -14.521 16.097 9.688 45 HD2 LYS 6 HD2 LYS 6 -14.267 15.720 7.396 46 HD3 LYS 6 HD3 LYS 6 -16.007 15.869 7.065 47 HE2 LYS 6 HE2 LYS 6 -15.858 18.307 7.620 48 HE3 LYS 6 HE3 LYS 6 -14.116 18.154 7.772 49 HZ1 LYS 6 HZ1 LYS 6 -14.065 17.467 5.410 50 HZ2 LYS 6 HZ2 LYS 6 -15.690 17.603 5.310 51 HZ3 LYS 6 HZ3 LYS 6 -14.786 18.926 5.561 52 H CYS 7 H CYS 7 -14.701 13.455 11.246 53 HA CYS 7 HA CYS 7 -12.357 11.929 10.616 54 HB2 CYS 7 HB2 CYS 7 -11.808 14.180 9.560 55 HB3 CYS 7 HB3 CYS 7 -11.985 14.898 11.170 56 HG CYS 7 HG CYS 7 -9.994 12.445 10.194 57 H ASN 8 H ASN 8 -11.149 11.506 12.693 58 HA ASN 8 HA ASN 8 -12.963 11.510 14.930 59 HB2 ASN 8 HB2 ASN 8 -11.258 9.709 14.541 60 HB3 ASN 8 HB3 ASN 8 -9.986 10.862 14.930 61 HD21 ASN 8 HD22 ASN 8 -9.384 9.329 16.658 62 HD22 ASN 8 HD21 ASN 8 -10.311 9.373 18.156 63 H ASN 9 H ASN 9 -9.887 13.313 14.465 64 HA ASN 9 HA ASN 9 -10.608 15.027 16.828 65 HB2 ASN 9 HB2 ASN 9 -7.922 13.880 15.979 66 HB3 ASN 9 HB3 ASN 9 -8.118 15.124 17.211 67 HD21 ASN 9 HD22 ASN 9 -6.932 12.517 17.621 68 HD22 ASN 9 HD21 ASN 9 -7.959 11.730 18.822 69 H CYS 10 H CYS 10 -8.406 15.128 13.973 70 HA CYS 10 HA CYS 10 -8.766 18.058 13.742 71 HB2 CYS 10 HB2 CYS 10 -6.975 17.814 12.026 72 HB3 CYS 10 HB3 CYS 10 -6.520 17.221 13.619 73 HG CYS 10 HG CYS 10 -5.497 15.624 11.887 74 H SER 11 H SER 11 -8.507 18.140 10.848 75 HA SER 11 HA SER 11 -11.043 16.982 9.817 76 HB2 SER 11 HB2 SER 11 -10.525 19.973 10.025 77 HB3 SER 11 HB3 SER 11 -11.886 19.220 9.176 78 HG SER 11 HG SER 11 -12.348 19.821 11.357 79 H GLN 12 H GLN 12 -11.455 17.618 7.551 80 HA GLN 12 HA GLN 12 -10.964 17.771 5.371 81 HB2 GLN 12 HB2 GLN 12 -8.848 19.750 6.251 82 HB3 GLN 12 HB3 GLN 12 -9.543 19.598 4.636 83 HG2 GLN 12 HG2 GLN 12 -11.786 20.178 5.543 84 HG3 GLN 12 HG3 GLN 12 -11.071 20.409 7.143 85 HE21 GLN 12 HE22 GLN 12 -12.269 22.611 6.545 86 HE22 GLN 12 HE21 GLN 12 -11.199 23.812 5.832 87 H ARG 13 H ARG 13 -9.534 15.632 6.781 88 HA ARG 13 HA ARG 13 -7.327 15.112 4.808 89 HB2 ARG 13 HB2 ARG 13 -7.554 14.400 7.744 90 HB3 ARG 13 HB3 ARG 13 -6.347 13.695 6.658 91 HG2 ARG 13 HG2 ARG 13 -5.418 15.919 6.174 92 HG3 ARG 13 HG3 ARG 13 -6.637 16.677 7.206 93 HD2 ARG 13 HD2 ARG 13 -4.620 16.523 8.488 94 HD3 ARG 13 HD3 ARG 13 -5.772 15.376 9.150 95 HE ARG 13 HE ARG 13 -4.552 13.549 8.237 96 HH11 ARG 13 HH12 ARG 13 -2.820 16.568 7.734 97 HH12 ARG 13 HH11 ARG 13 -1.306 15.752 7.407 98 HH21 ARG 13 HH21 ARG 13 -2.601 12.574 7.773 99 HH22 ARG 13 HH22 ARG 13 -1.196 13.549 7.429 100 H GLY 14 H GLY 14 -10.388 14.211 5.136 101 HA2 GLY 14 HA2 GLY 14 -11.568 12.543 4.071 102 HA3 GLY 14 HA3 GLY 14 -10.043 11.878 3.495 103 H HIS 15 H HIS 15 -8.898 11.260 6.100 104 HA HIS 15 HA HIS 15 -10.249 8.818 6.696 105 HB2 HIS 15 HB2 HIS 15 -8.539 8.445 8.372 106 HB3 HIS 15 HB3 HIS 15 -7.911 8.853 6.793 107 HD1 HIS 15 HD1 HIS 15 -5.766 9.124 8.687 108 HD2 HIS 15 HD2 HIS 15 -8.635 12.161 8.294 109 HE1 HIS 15 HE1 HIS 15 -4.730 11.224 9.678 110 H LEU 16 H LEU 16 -12.247 9.077 7.299 111 HA LEU 16 HA LEU 16 -13.394 10.531 9.420 112 HB2 LEU 16 HB2 LEU 16 -15.180 8.844 9.288 113 HB3 LEU 16 HB3 LEU 16 -14.693 9.516 7.742 114 HG LEU 16 HG LEU 16 -13.317 7.346 7.391 115 HD11 LEU 16 HD11 LEU 16 -13.338 6.426 9.682 116 HD12 LEU 16 HD12 LEU 16 -15.125 6.450 9.686 117 HD13 LEU 16 HD13 LEU 16 -14.238 5.367 8.601 118 HD21 LEU 16 HD21 LEU 16 -15.425 7.873 6.235 119 HD22 LEU 16 HD22 LEU 16 -15.311 6.152 6.610 120 HD23 LEU 16 HD23 LEU 16 -16.354 7.203 7.594 121 H LYS 17 H LYS 17 -14.548 9.141 11.286 122 HA LYS 17 HA LYS 17 -12.888 9.225 13.362 123 HB2 LYS 17 HB2 LYS 17 -15.497 8.675 13.139 124 HB3 LYS 17 HB3 LYS 17 -14.991 7.057 13.561 125 HG2 LYS 17 HG2 LYS 17 -14.424 9.612 15.115 126 HG3 LYS 17 HG3 LYS 17 -15.677 8.445 15.498 127 HD2 LYS 17 HD2 LYS 17 -12.672 7.909 15.661 128 HD3 LYS 17 HD3 LYS 17 -13.750 8.292 17.000 129 HE2 LYS 17 HE2 LYS 17 -15.099 6.247 16.454 130 HE3 LYS 17 HE3 LYS 17 -13.893 5.804 15.251 131 HZ1 LYS 17 HZ1 LYS 17 -13.363 6.155 18.150 132 HZ2 LYS 17 HZ2 LYS 17 -13.470 4.725 17.386 133 HZ3 LYS 17 HZ3 LYS 17 -12.235 5.734 17.046 134 H LYS 18 H LYS 18 -13.754 5.980 12.159 135 HA LYS 18 HA LYS 18 -11.503 4.691 13.499 136 HB2 LYS 18 HB2 LYS 18 -12.478 2.621 12.683 137 HB3 LYS 18 HB3 LYS 18 -13.688 3.648 13.445 138 HG2 LYS 18 HG2 LYS 18 -14.541 4.344 11.228 139 HG3 LYS 18 HG3 LYS 18 -13.255 3.437 10.428 140 HD2 LYS 18 HD2 LYS 18 -15.298 2.180 10.294 141 HD3 LYS 18 HD3 LYS 18 -14.172 1.324 11.355 142 HE2 LYS 18 HE2 LYS 18 -15.363 2.253 13.339 143 HE3 LYS 18 HE3 LYS 18 -16.466 3.113 12.272 144 HZ1 LYS 18 HZ1 LYS 18 -16.190 0.162 12.409 145 HZ2 LYS 18 HZ2 LYS 18 -17.423 1.023 13.034 146 HZ3 LYS 18 HZ3 LYS 18 -17.217 0.960 11.419 147 H ASP 19 H ASP 19 -11.459 6.385 10.698 148 HA ASP 19 HA ASP 19 -9.397 4.696 9.377 149 HB2 ASP 19 HB2 ASP 19 -11.399 5.799 8.180 150 HB3 ASP 19 HB3 ASP 19 -10.566 7.320 8.425 151 H CYS 20 H CYS 20 -9.845 7.626 11.287 152 HA CYS 20 HA CYS 20 -7.295 8.814 10.989 153 HB2 CYS 20 HB2 CYS 20 -9.465 9.751 11.961 154 HB3 CYS 20 HB3 CYS 20 -9.075 8.884 13.455 155 HG CYS 20 HG CYS 20 -8.467 11.399 13.820 156 HA PRO 21 HA PRO 21 -4.645 5.995 12.623 157 HB2 PRO 21 HB2 PRO 21 -3.020 8.056 14.082 158 HB3 PRO 21 HB3 PRO 21 -2.507 6.897 12.817 159 HG2 PRO 21 HG2 PRO 21 -2.923 9.496 12.183 160 HG3 PRO 21 HG3 PRO 21 -3.558 8.210 11.096 161 HD2 PRO 21 HD2 PRO 21 -5.017 9.707 13.284 162 HD3 PRO 21 HD3 PRO 21 -5.494 9.492 11.576 163 H HIS 22 H HIS 22 -3.998 4.547 14.168 164 HA HIS 22 HA HIS 22 -5.055 4.900 16.937 165 HB2 HIS 22 HB2 HIS 22 -4.567 2.377 15.324 166 HB3 HIS 22 HB3 HIS 22 -5.251 2.450 16.941 167 HD1 HIS 22 HD1 HIS 22 -6.459 2.063 13.579 168 HD2 HIS 22 HD2 HIS 22 -7.620 4.238 16.976 169 HE1 HIS 22 HE1 HIS 22 -8.922 2.591 13.276 170 H ILE 23 H ILE 23 -2.077 5.067 15.502 171 HA ILE 23 HA ILE 23 -0.571 3.364 17.350 172 HB ILE 23 HB ILE 23 0.528 5.365 15.362 173 HG12 ILE 23 HG12 ILE 23 -0.948 3.980 14.052 174 HG13 ILE 23 HG13 ILE 23 0.704 3.535 13.723 175 HG21 ILE 23 HG21 ILE 23 2.288 4.532 16.809 176 HG22 ILE 23 HG22 ILE 23 1.718 2.861 16.632 177 HG23 ILE 23 HG23 ILE 23 2.442 3.721 15.257 178 HD11 ILE 23 HD11 ILE 23 0.471 1.510 15.157 179 HD12 ILE 23 HD12 ILE 23 -1.218 1.960 15.501 180 HD13 ILE 23 HD13 ILE 23 -0.723 1.556 13.851 181 H ILE 24 H ILE 24 -1.948 6.356 17.710 182 HA ILE 24 HA ILE 24 -0.001 7.898 19.109 183 HB ILE 24 HB ILE 24 -2.988 7.961 19.612 184 HG12 ILE 24 HG12 ILE 24 -2.930 7.940 17.217 185 HG13 ILE 24 HG13 ILE 24 -3.276 9.562 17.762 186 HG21 ILE 24 HG21 ILE 24 -1.554 9.421 20.997 187 HG22 ILE 24 HG22 ILE 24 -0.909 10.174 19.523 188 HG23 ILE 24 HG23 ILE 24 -2.623 10.352 19.948 189 HD11 ILE 24 HD11 ILE 24 -0.587 8.581 16.709 190 HD12 ILE 24 HD12 ILE 24 -1.760 9.586 15.846 191 HD13 ILE 24 HD13 ILE 24 -0.930 10.244 17.262 192 H CYS 25 H CYS 25 0.627 7.913 21.338 193 HA CYS 25 HA CYS 25 0.234 5.449 22.736 194 HB2 CYS 25 HB2 CYS 25 1.684 6.406 24.424 195 HB3 CYS 25 HB3 CYS 25 2.316 6.742 22.815 196 HG CYS 25 HG CYS 25 2.648 8.751 24.568 197 H SER 26 H SER 26 -1.048 8.680 23.402 198 HA SER 26 HA SER 26 -3.612 7.686 24.140 199 HB2 SER 26 HB2 SER 26 -3.900 8.669 26.325 200 HB3 SER 26 HB3 SER 26 -2.569 7.509 26.410 201 HG SER 26 HG SER 26 -1.171 9.250 26.364 202 H TYR 27 H TYR 27 -5.071 9.714 24.630 203 HA TYR 27 HA TYR 27 -4.580 11.498 22.424 204 HB2 TYR 27 HB2 TYR 27 -6.886 11.424 24.374 205 HB3 TYR 27 HB3 TYR 27 -6.845 12.309 22.851 206 HD1 TYR 27 HD1 TYR 27 -6.226 10.861 20.699 207 HD2 TYR 27 HD2 TYR 27 -7.835 9.269 24.371 208 HE1 TYR 27 HE1 TYR 27 -7.020 8.845 19.477 209 HE2 TYR 27 HE2 TYR 27 -8.635 7.257 23.142 210 HH TYR 27 HH TYR 27 -8.133 6.798 19.695 211 H CYS 28 H CYS 28 -2.630 11.949 24.355 212 HA CYS 28 HA CYS 28 -2.995 14.814 25.080 213 HB2 CYS 28 HB2 CYS 28 -0.956 14.489 26.399 214 HB3 CYS 28 HB3 CYS 28 -2.174 13.287 26.850 215 HG CYS 28 HG CYS 28 0.145 12.096 26.886 216 H GLY 29 H GLY 29 -1.161 12.596 22.946 217 HA2 GLY 29 HA2 GLY 29 -0.572 14.557 21.001 218 HA3 GLY 29 HA3 GLY 29 0.813 14.455 22.096 219 H ALA 30 H ALA 30 1.311 14.006 19.582 220 HA ALA 30 HA ALA 30 0.668 11.466 18.526 221 HB1 ALA 30 HB1 ALA 30 2.756 13.488 17.665 222 HB2 ALA 30 HB2 ALA 30 2.185 12.113 16.705 223 HB3 ALA 30 HB3 ALA 30 1.055 13.401 17.142 224 H THR 31 H THR 31 1.232 9.705 19.504 225 HA THR 31 HA THR 31 2.373 7.736 19.131 226 HB THR 31 HB THR 31 3.895 9.250 17.029 227 HG1 THR 31 HG1 THR 31 2.001 9.578 15.945 228 HG21 THR 31 HG21 THR 31 3.041 7.536 15.548 229 HG22 THR 31 HG22 THR 31 3.698 6.684 16.959 230 HG23 THR 31 HG23 THR 31 1.939 6.929 16.792 231 H ASP 32 H ASP 32 5.132 7.511 17.907 232 HA ASP 32 HA ASP 32 6.666 7.617 20.438 233 HB2 ASP 32 HB2 ASP 32 6.437 5.536 19.035 234 HB3 ASP 32 HB3 ASP 32 7.405 6.327 17.801 235 H ASP 33 H ASP 33 6.158 9.832 18.073 236 HA ASP 33 HA ASP 33 8.934 10.543 17.453 237 HB2 ASP 33 HB2 ASP 33 7.087 10.585 15.792 238 HB3 ASP 33 HB3 ASP 33 6.337 11.903 16.685 239 H HIS 34 H HIS 34 6.410 11.814 19.613 240 HA HIS 34 HA HIS 34 8.047 14.136 20.378 241 HB2 HIS 34 HB2 HIS 34 6.258 14.690 21.891 242 HB3 HIS 34 HB3 HIS 34 5.638 14.388 20.275 243 HD1 HIS 34 HD1 HIS 34 6.168 11.149 22.072 244 HD2 HIS 34 HD2 HIS 34 3.261 14.156 21.775 245 HE1 HIS 34 HE1 HIS 34 4.008 10.131 22.927 246 H TYR 35 H TYR 35 8.742 14.519 22.556 247 HA TYR 35 HA TYR 35 9.607 12.056 24.026 248 HB2 TYR 35 HB2 TYR 35 11.366 13.339 22.758 249 HB3 TYR 35 HB3 TYR 35 11.030 14.726 23.783 250 HD1 TYR 35 HD1 TYR 35 11.990 11.092 23.960 251 HD2 TYR 35 HD2 TYR 35 12.265 14.992 25.782 252 HE1 TYR 35 HE1 TYR 35 13.563 10.188 25.657 253 HE2 TYR 35 HE2 TYR 35 13.833 14.077 27.487 254 HH TYR 35 HH TYR 35 14.843 10.718 27.544 255 H SER 36 H SER 36 10.301 12.766 26.371 256 HA SER 36 HA SER 36 7.976 13.438 27.816 257 HB2 SER 36 HB2 SER 36 10.837 13.187 28.766 258 HB3 SER 36 HB3 SER 36 9.374 13.033 29.763 259 HG SER 36 HG SER 36 10.138 11.013 28.950 260 H ARG 37 H ARG 37 9.382 15.691 26.210 261 HA ARG 37 HA ARG 37 8.570 17.827 28.134 262 HB2 ARG 37 HB2 ARG 37 10.818 18.007 26.087 263 HB3 ARG 37 HB3 ARG 37 10.240 19.338 27.081 264 HG2 ARG 37 HG2 ARG 37 11.592 16.807 28.127 265 HG3 ARG 37 HG3 ARG 37 12.344 18.385 27.918 266 HD2 ARG 37 HD2 ARG 37 10.806 19.373 29.566 267 HD3 ARG 37 HD3 ARG 37 10.019 17.824 29.820 268 HE ARG 37 HE ARG 37 12.688 18.675 30.753 269 HH11 ARG 37 HH11 ARG 37 10.502 15.923 30.530 270 HH12 ARG 37 HH12 ARG 37 11.422 14.995 31.693 271 HH21 ARG 37 HH21 ARG 37 13.792 17.434 32.213 272 HH22 ARG 37 HH22 ARG 37 13.222 15.834 32.616 273 H HIS 38 H HIS 38 7.831 16.253 25.321 274 HA HIS 38 HA HIS 38 6.006 18.412 24.399 275 HB2 HIS 38 HB2 HIS 38 8.027 16.843 22.781 276 HB3 HIS 38 HB3 HIS 38 6.510 17.310 22.036 277 HD1 HIS 38 HD1 HIS 38 7.757 20.011 24.314 278 HD2 HIS 38 HD2 HIS 38 8.083 18.769 20.328 279 HE1 HIS 38 HE1 HIS 38 8.562 22.032 23.019 280 H CYS 39 H CYS 39 6.136 15.377 25.708 281 HA CYS 39 HA CYS 39 4.406 13.754 24.401 282 HB2 CYS 39 HB2 CYS 39 5.637 13.452 26.601 283 HB3 CYS 39 HB3 CYS 39 4.241 14.166 27.411 284 HG CYS 39 HG CYS 39 4.203 11.549 27.551 285 HA PRO 40 HA PRO 40 0.445 16.181 25.364 286 HB2 PRO 40 HB2 PRO 40 0.302 18.347 26.950 287 HB3 PRO 40 HB3 PRO 40 0.433 16.693 27.620 288 HG2 PRO 40 HG2 PRO 40 2.705 18.677 27.189 289 HG3 PRO 40 HG3 PRO 40 2.287 17.790 28.688 290 HD2 PRO 40 HD2 PRO 40 4.166 16.875 26.938 291 HD3 PRO 40 HD3 PRO 40 3.078 15.781 27.847 292 H LYS 41 H LYS 41 1.152 16.552 23.083 293 HA LYS 41 HA LYS 41 0.924 19.377 22.347 294 HB2 LYS 41 HB2 LYS 41 3.437 18.816 22.652 295 HB3 LYS 41 HB3 LYS 41 3.277 17.837 21.192 296 HG2 LYS 41 HG2 LYS 41 2.580 19.887 19.936 297 HG3 LYS 41 HG3 LYS 41 2.701 20.823 21.440 298 HD2 LYS 41 HD2 LYS 41 5.129 20.206 21.576 299 HD3 LYS 41 HD3 LYS 41 4.971 19.360 20.022 300 HE2 LYS 41 HE2 LYS 41 4.182 21.540 19.009 301 HE3 LYS 41 HE3 LYS 41 4.508 22.323 20.551 302 HZ1 LYS 41 HZ1 LYS 41 6.856 21.588 20.286 303 HZ2 LYS 41 HZ2 LYS 41 6.519 21.022 18.801 304 HZ3 LYS 41 HZ3 LYS 41 6.391 22.619 19.116 305 H ALA 42 H ALA 42 0.295 19.723 20.211 306 HA ALA 42 HA ALA 42 -0.856 19.456 18.333 307 HB1 ALA 42 HB1 ALA 42 -0.411 17.633 16.823 308 HB2 ALA 42 HB2 ALA 42 1.099 18.156 17.591 309 HB3 ALA 42 HB3 ALA 42 0.297 16.661 18.121 310 H ILE 43 H ILE 43 -1.486 16.864 20.652 311 HA ILE 43 HA ILE 43 -4.311 16.688 19.690 312 HB ILE 43 HB ILE 43 -2.858 14.577 21.289 313 HG12 ILE 43 HG12 ILE 43 -1.710 14.766 19.098 314 HG13 ILE 43 HG13 ILE 43 -2.559 13.255 19.293 315 HG21 ILE 43 HG21 ILE 43 -5.268 14.352 21.490 316 HG22 ILE 43 HG22 ILE 43 -5.478 14.512 19.735 317 HG23 ILE 43 HG23 ILE 43 -4.675 13.087 20.419 318 HD11 ILE 43 HD11 ILE 43 -3.634 15.607 17.670 319 HD12 ILE 43 HD12 ILE 43 -2.760 14.212 17.013 320 HD13 ILE 43 HD13 ILE 43 -4.337 13.975 17.774 321 H GLN 44 H GLN 44 -3.963 18.883 21.011 322 HA GLN 44 HA GLN 44 -5.480 18.358 23.464 323 HB2 GLN 44 HB2 GLN 44 -4.268 19.635 24.919 324 HB3 GLN 44 HB3 GLN 44 -3.029 18.720 24.091 325 HG2 GLN 44 HG2 GLN 44 -3.749 21.658 23.640 326 HG3 GLN 44 HG3 GLN 44 -2.380 21.053 24.545 327 HE21 GLN 44 HE22 GLN 44 -2.028 22.914 22.471 328 HE22 GLN 44 HE21 GLN 44 -1.166 22.104 21.170 329 H CYS 45 H CYS 45 -6.928 19.988 24.087 330 HA CYS 45 HA CYS 45 -7.590 21.999 22.016 331 HB2 CYS 45 HB2 CYS 45 -9.682 22.318 23.218 332 HB3 CYS 45 HB3 CYS 45 -9.445 20.637 22.748 333 HG CYS 45 HG CYS 45 -8.650 19.799 25.087 334 H SER 46 H SER 46 -8.318 24.169 22.859 335 HA SER 46 HA SER 46 -5.967 25.448 23.581 336 HB2 SER 46 HB2 SER 46 -7.871 26.480 22.368 337 HB3 SER 46 HB3 SER 46 -8.726 26.633 23.923 338 HG SER 46 HG SER 46 -7.404 28.456 23.441 339 H LYS 47 H LYS 47 -5.021 26.200 25.323 340 HA LYS 47 HA LYS 47 -4.268 26.267 27.455 341 HB2 LYS 47 HB2 LYS 47 -7.118 27.121 28.056 342 HB3 LYS 47 HB3 LYS 47 -5.718 27.373 29.101 343 HG2 LYS 47 HG2 LYS 47 -4.657 28.820 27.424 344 HG3 LYS 47 HG3 LYS 47 -5.975 28.526 26.289 345 HD2 LYS 47 HD2 LYS 47 -6.302 30.675 27.285 346 HD3 LYS 47 HD3 LYS 47 -7.580 29.591 27.844 347 HE2 LYS 47 HE2 LYS 47 -6.364 29.274 29.987 348 HE3 LYS 47 HE3 LYS 47 -5.067 30.316 29.411 349 HZ1 LYS 47 HZ1 LYS 47 -6.624 31.530 30.815 350 HZ2 LYS 47 HZ2 LYS 47 -6.664 32.147 29.310 351 HZ3 LYS 47 HZ3 LYS 47 -7.874 31.180 29.831 352 H CYS 48 H CYS 48 -5.468 23.637 26.579 353 HA CYS 48 HA CYS 48 -5.675 22.319 29.252 354 HB2 CYS 48 HB2 CYS 48 -7.344 21.828 26.760 355 HB3 CYS 48 HB3 CYS 48 -7.383 20.815 28.211 356 HG CYS 48 HG CYS 48 -8.185 23.967 27.820 357 H ASP 49 H ASP 49 -5.586 19.806 28.832 358 HA ASP 49 HA ASP 49 -2.868 19.386 27.695 359 HB2 ASP 49 HB2 ASP 49 -3.296 19.382 30.143 360 HB3 ASP 49 HB3 ASP 49 -4.356 17.996 29.943 361 H GLU 50 H GLU 50 -6.061 18.275 27.164 362 HA GLU 50 HA GLU 50 -5.139 16.197 25.263 363 HB2 GLU 50 HB2 GLU 50 -7.425 15.805 27.244 364 HB3 GLU 50 HB3 GLU 50 -7.068 14.755 25.876 365 HG2 GLU 50 HG2 GLU 50 -4.787 14.321 26.880 366 HG3 GLU 50 HG3 GLU 50 -5.300 15.212 28.306 367 H VAL 51 H VAL 51 -6.983 15.779 23.621 368 HA VAL 51 HA VAL 51 -7.940 18.211 22.500 369 HB VAL 51 HB VAL 51 -9.542 16.678 21.178 370 HG11 VAL 51 HG11 VAL 51 -7.482 17.523 20.264 371 HG12 VAL 51 HG12 VAL 51 -6.554 16.226 21.063 372 HG13 VAL 51 HG13 VAL 51 -7.735 15.844 19.777 373 HG21 VAL 51 HG21 VAL 51 -7.858 14.452 22.382 374 HG22 VAL 51 HG22 VAL 51 -9.551 14.786 22.828 375 HG23 VAL 51 HG23 VAL 51 -9.146 14.326 21.171 376 H GLY 52 H GLY 52 -9.172 16.699 25.187 377 HA2 GLY 52 HA2 GLY 52 -11.173 18.244 26.032 378 HA3 GLY 52 HA3 GLY 52 -12.038 17.267 24.832 379 H HIS 53 H HIS 53 -11.948 17.434 27.868 380 HA HIS 53 HA HIS 53 -11.691 14.522 28.501 381 HB2 HIS 53 HB2 HIS 53 -11.129 15.525 30.865 382 HB3 HIS 53 HB3 HIS 53 -9.908 15.366 29.615 383 HD1 HIS 53 HD1 HIS 53 -11.915 18.148 31.360 384 HD2 HIS 53 HD2 HIS 53 -8.863 17.556 28.535 385 HE1 HIS 53 HE1 HIS 53 -10.918 20.440 30.880 386 H TYR 54 H TYR 54 -13.876 16.960 28.134 387 HA TYR 54 HA TYR 54 -15.966 15.270 29.331 388 HB2 TYR 54 HB2 TYR 54 -15.979 18.308 29.539 389 HB3 TYR 54 HB3 TYR 54 -17.288 17.232 29.993 390 HD1 TYR 54 HD2 TYR 54 -16.721 15.378 31.778 391 HD2 TYR 54 HD1 TYR 54 -14.501 19.035 31.233 392 HE1 TYR 54 HE2 TYR 54 -15.862 15.209 34.111 393 HE2 TYR 54 HE1 TYR 54 -13.650 18.866 33.565 394 HH TYR 54 HH TYR 54 -13.704 17.585 35.527 395 H ARG 55 H ARG 55 -17.724 15.098 27.961 396 HA ARG 55 HA ARG 55 -18.621 14.836 25.870 397 HB2 ARG 55 HB2 ARG 55 -19.473 17.003 27.156 398 HB3 ARG 55 HB3 ARG 55 -18.888 17.835 25.736 399 HG2 ARG 55 HG2 ARG 55 -20.919 15.532 25.775 400 HG3 ARG 55 HG3 ARG 55 -21.307 17.239 25.758 401 HD2 ARG 55 HD2 ARG 55 -21.641 16.628 23.578 402 HD3 ARG 55 HD3 ARG 55 -20.064 17.416 23.541 403 HE ARG 55 HE ARG 55 -19.696 14.583 23.847 404 HH11 ARG 55 HH11 ARG 55 -20.958 16.754 21.382 405 HH12 ARG 55 HH12 ARG 55 -20.420 15.716 20.076 406 HH21 ARG 55 HH21 ARG 55 -18.827 13.472 22.112 407 HH22 ARG 55 HH22 ARG 55 -19.320 13.864 20.486 408 H SER 56 H SER 56 -16.171 14.392 25.440 409 HA SER 56 HA SER 56 -14.527 14.111 23.957 410 HB2 SER 56 HB2 SER 56 -16.409 15.296 21.908 411 HB3 SER 56 HB3 SER 56 -15.103 14.124 21.658 412 HG SER 56 HG SER 56 -16.650 12.754 22.040 413 H GLN 57 H GLN 57 -15.623 17.461 23.804 414 HA GLN 57 HA GLN 57 -12.852 18.351 23.097 415 HB2 GLN 57 HB2 GLN 57 -15.485 19.333 21.925 416 HB3 GLN 57 HB3 GLN 57 -13.899 20.043 21.615 417 HG2 GLN 57 HG2 GLN 57 -13.146 17.911 20.586 418 HG3 GLN 57 HG3 GLN 57 -14.764 17.232 20.823 419 HE21 GLN 57 HE22 GLN 57 -16.623 18.359 19.698 420 HE22 GLN 57 HE21 GLN 57 -16.257 19.207 18.201 421 H CYS 58 H CYS 58 -15.200 18.567 25.425 422 HA CYS 58 HA CYS 58 -16.204 20.110 26.699 423 HB2 CYS 58 HB2 CYS 58 -14.764 20.738 28.481 424 HB3 CYS 58 HB3 CYS 58 -14.310 19.142 27.880 425 HG CYS 58 HG CYS 58 -12.960 22.034 27.191 426 HA PRO 59 HA PRO 59 -15.500 24.098 24.336 427 HB2 PRO 59 HB2 PRO 59 -17.776 24.285 22.855 428 HB3 PRO 59 HB3 PRO 59 -16.363 23.325 22.325 429 HG2 PRO 59 HG2 PRO 59 -18.859 22.331 23.735 430 HG3 PRO 59 HG3 PRO 59 -18.090 21.674 22.259 431 HD2 PRO 59 HD2 PRO 59 -17.603 20.619 24.734 432 HD3 PRO 59 HD3 PRO 59 -16.342 20.702 23.466 433 H HIS 60 H HIS 60 -16.237 26.060 25.130 434 HA HIS 60 HA HIS 60 -18.447 26.126 27.085 435 HB2 HIS 60 HB2 HIS 60 -16.574 28.268 26.021 436 HB3 HIS 60 HB3 HIS 60 -17.877 28.576 27.162 437 HD1 HIS 60 HD1 HIS 60 -17.677 26.795 29.468 438 HD2 HIS 60 HD2 HIS 60 -14.287 27.901 27.251 439 HE1 HIS 60 HE1 HIS 60 -15.681 26.396 30.979 440 H LYS 61 H LYS 61 -18.179 26.410 23.692 441 HA LYS 61 HA LYS 61 -20.589 28.002 23.277 442 HB2 LYS 61 HB2 LYS 61 -18.511 27.481 21.663 443 HB3 LYS 61 HB3 LYS 61 -19.469 26.083 21.224 444 HG2 LYS 61 HG2 LYS 61 -19.855 27.840 19.634 445 HG3 LYS 61 HG3 LYS 61 -21.344 27.651 20.558 446 HD2 LYS 61 HD2 LYS 61 -20.768 29.659 21.916 447 HD3 LYS 61 HD3 LYS 61 -19.186 29.732 21.145 448 HE2 LYS 61 HE2 LYS 61 -20.582 31.437 20.233 449 HE3 LYS 61 HE3 LYS 61 -20.219 30.261 18.981 450 HZ1 LYS 61 HZ1 LYS 61 -22.748 30.149 20.524 451 HZ2 LYS 61 HZ2 LYS 61 -22.606 31.040 19.166 452 HZ3 LYS 61 HZ3 LYS 61 -22.399 29.438 19.081 453 H TRP 62 H TRP 62 -22.519 27.124 22.212 454 HA TRP 62 HA TRP 62 -23.572 24.920 23.756 455 HB2 TRP 62 HB2 TRP 62 -24.859 26.930 23.172 456 HB3 TRP 62 HB3 TRP 62 -24.784 26.483 21.472 457 HD1 TRP 62 HD1 TRP 62 -27.082 25.815 20.803 458 HE1 TRP 62 HE1 TRP 62 -28.954 24.344 21.677 459 HE3 TRP 62 HE3 TRP 62 -25.044 24.435 25.318 460 HZ2 TRP 62 HZ2 TRP 62 -29.448 22.591 23.887 461 HZ3 TRP 62 HZ3 TRP 62 -26.245 22.816 26.753 462 HH2 TRP 62 HH2 TRP 62 -28.433 21.886 26.057 463 H LYS 63 H LYS 63 -24.533 23.011 22.988 464 HA LYS 63 HA LYS 63 -22.633 21.673 21.139 465 HB2 LYS 63 HB2 LYS 63 -24.121 20.757 23.617 466 HB3 LYS 63 HB3 LYS 63 -23.070 19.709 22.662 467 HG2 LYS 63 HG2 LYS 63 -21.117 20.932 23.179 468 HG3 LYS 63 HG3 LYS 63 -22.015 22.351 23.720 469 HD2 LYS 63 HD2 LYS 63 -22.886 21.029 25.673 470 HD3 LYS 63 HD3 LYS 63 -21.869 19.676 25.159 471 HE2 LYS 63 HE2 LYS 63 -20.703 20.905 26.888 472 HE3 LYS 63 HE3 LYS 63 -19.860 21.127 25.363 473 HZ1 LYS 63 HZ1 LYS 63 -20.041 23.222 26.435 474 HZ2 LYS 63 HZ2 LYS 63 -21.025 23.309 25.176 475 HZ3 LYS 63 HZ3 LYS 63 -21.656 23.097 26.679 476 H LYS 64 H LYS 64 -25.661 22.642 20.785 477 HA LYS 64 HA LYS 64 -26.204 20.695 18.655 478 HB2 LYS 64 HB2 LYS 64 -27.397 19.927 20.782 479 HB3 LYS 64 HB3 LYS 64 -28.377 21.387 20.680 480 HG2 LYS 64 HG2 LYS 64 -29.299 20.647 18.520 481 HG3 LYS 64 HG3 LYS 64 -28.166 19.279 18.483 482 HD2 LYS 64 HD2 LYS 64 -29.229 18.357 20.533 483 HD3 LYS 64 HD3 LYS 64 -30.375 19.715 20.539 484 HE2 LYS 64 HE2 LYS 64 -31.173 19.025 18.286 485 HE3 LYS 64 HE3 LYS 64 -30.035 17.683 18.293 486 HZ1 LYS 64 HZ1 LYS 64 -32.275 18.021 20.209 487 HZ2 LYS 64 HZ2 LYS 64 -32.235 16.956 18.977 488 HZ3 LYS 64 HZ3 LYS 64 -31.209 16.780 20.228 489 H VAL 65 H VAL 65 -27.801 21.554 17.101 490 HA VAL 65 HA VAL 65 -27.761 24.528 16.990 491 HB VAL 65 HB VAL 65 -26.809 23.398 15.101 492 HG11 VAL 65 HG11 VAL 65 -29.562 22.232 14.519 493 HG12 VAL 65 HG12 VAL 65 -28.111 22.111 13.502 494 HG13 VAL 65 HG13 VAL 65 -28.142 21.308 15.069 495 HG21 VAL 65 HG21 VAL 65 -29.418 24.730 14.286 496 HG22 VAL 65 HG22 VAL 65 -27.960 25.592 14.841 497 HG23 VAL 65 HG23 VAL 65 -27.895 24.629 13.369 498 H GLN 66 H GLN 66 -29.538 25.767 17.154 499 HA GLN 66 HA GLN 66 -31.781 24.600 18.500 500 HB2 GLN 66 HB2 GLN 66 -31.336 27.426 17.457 501 HB3 GLN 66 HB3 GLN 66 -32.629 26.953 18.553 502 HG2 GLN 66 HG2 GLN 66 -29.648 26.754 19.185 503 HG3 GLN 66 HG3 GLN 66 -30.740 28.018 19.729 504 HE21 GLN 66 HE22 GLN 66 -32.335 27.519 21.406 505 HE22 GLN 66 HE21 GLN 66 -32.184 26.029 22.330 506 H CYS 67 H CYS 67 -31.345 25.240 15.132 507 HA CYS 67 HA CYS 67 -34.204 25.262 14.466 508 HB2 CYS 67 HB2 CYS 67 -31.676 25.040 12.779 509 HB3 CYS 67 HB3 CYS 67 -33.311 25.313 12.151 510 HG CYS 67 HG CYS 67 -33.770 27.529 13.288 511 H THR 68 H THR 68 -31.777 22.779 14.816 512 HA THR 68 HA THR 68 -31.281 20.823 13.921 513 HB THR 68 HB THR 68 -33.761 20.370 14.773 514 HG1 THR 68 HG1 THR 68 -33.113 18.284 14.413 515 HG21 THR 68 HG21 THR 68 -33.898 19.316 11.913 516 HG22 THR 68 HG22 THR 68 -35.081 19.105 13.215 517 HG23 THR 68 HG23 THR 68 -34.867 20.692 12.480 518 H LEU 69 H LEU 69 -33.417 22.602 11.863 519 HA LEU 69 HA LEU 69 -32.712 21.646 9.299 520 HB2 LEU 69 HB2 LEU 69 -34.790 22.683 9.820 521 HB3 LEU 69 HB3 LEU 69 -34.032 24.072 10.558 522 HG LEU 69 HG LEU 69 -33.301 24.881 8.323 523 HD11 LEU 69 HD11 LEU 69 -34.368 23.904 6.320 524 HD12 LEU 69 HD12 LEU 69 -33.323 22.702 7.094 525 HD13 LEU 69 HD13 LEU 69 -35.085 22.611 7.310 526 HD21 LEU 69 HD21 LEU 69 -35.546 25.615 7.650 527 HD22 LEU 69 HD22 LEU 69 -36.281 24.351 8.662 528 HD23 LEU 69 HD23 LEU 69 -35.362 25.673 9.408 529 H CYS 70 H CYS 70 -30.800 23.589 11.398 530 HA CYS 70 HA CYS 70 -29.507 25.082 9.157 531 HB2 CYS 70 HB2 CYS 70 -30.683 26.387 10.904 532 HB3 CYS 70 HB3 CYS 70 -29.592 25.725 12.129 533 HG CYS 70 HG CYS 70 -28.975 27.623 9.513 534 H LYS 71 H LYS 71 -27.233 25.407 9.171 535 HA LYS 71 HA LYS 71 -25.617 23.275 10.521 536 HB2 LYS 71 HB2 LYS 71 -25.224 24.567 7.793 537 HB3 LYS 71 HB3 LYS 71 -24.131 23.400 8.521 538 HG2 LYS 71 HG2 LYS 71 -27.024 22.842 7.745 539 HG3 LYS 71 HG3 LYS 71 -25.584 22.376 6.842 540 HD2 LYS 71 HD2 LYS 71 -24.824 21.005 8.799 541 HD3 LYS 71 HD3 LYS 71 -26.350 21.387 9.626 542 HE2 LYS 71 HE2 LYS 71 -27.614 20.384 7.750 543 HE3 LYS 71 HE3 LYS 71 -26.103 19.998 6.933 544 HZ1 LYS 71 HZ1 LYS 71 -26.943 18.089 8.158 545 HZ2 LYS 71 HZ2 LYS 71 -25.527 18.559 8.812 546 HZ3 LYS 71 HZ3 LYS 71 -26.936 18.910 9.564 547 H SER 72 H SER 72 -26.145 26.485 10.863 548 HA SER 72 HA SER 72 -23.313 27.213 11.335 549 HB2 SER 72 HB2 SER 72 -24.577 28.934 10.338 550 HB3 SER 72 HB3 SER 72 -25.855 28.824 11.562 551 HG SER 72 HG SER 72 -24.136 30.449 11.888 552 H LYS 73 H LYS 73 -22.449 27.730 13.243 553 HA LYS 73 HA LYS 73 -23.767 26.872 15.781 554 HB2 LYS 73 HB2 LYS 73 -21.567 26.269 16.597 555 HB3 LYS 73 HB3 LYS 73 -21.928 25.441 15.084 556 HG2 LYS 73 HG2 LYS 73 -20.555 27.230 13.875 557 HG3 LYS 73 HG3 LYS 73 -20.051 27.821 15.457 558 HD2 LYS 73 HD2 LYS 73 -19.638 25.003 14.365 559 HD3 LYS 73 HD3 LYS 73 -18.415 26.259 14.356 560 HE2 LYS 73 HE2 LYS 73 -19.695 25.147 16.889 561 HE3 LYS 73 HE3 LYS 73 -18.215 24.525 16.180 562 HZ1 LYS 73 HZ1 LYS 73 -17.190 26.692 16.479 563 HZ2 LYS 73 HZ2 LYS 73 -18.551 27.312 17.142 564 HZ3 LYS 73 HZ3 LYS 73 -17.722 26.130 17.906 565 H LYS 74 H LYS 74 -23.167 29.646 14.247 566 HA LYS 74 HA LYS 74 -22.233 31.211 16.624 567 HB2 LYS 74 HB2 LYS 74 -20.888 31.031 14.444 568 HB3 LYS 74 HB3 LYS 74 -22.130 32.037 13.706 569 HG2 LYS 74 HG2 LYS 74 -21.627 33.846 15.343 570 HG3 LYS 74 HG3 LYS 74 -20.425 32.810 16.121 571 HD2 LYS 74 HD2 LYS 74 -20.308 33.763 13.225 572 HD3 LYS 74 HD3 LYS 74 -19.490 34.542 14.583 573 HE2 LYS 74 HE2 LYS 74 -18.232 32.433 15.019 574 HE3 LYS 74 HE3 LYS 74 -18.988 31.702 13.608 575 HZ1 LYS 74 HZ1 LYS 74 -16.811 32.607 13.067 576 HZ2 LYS 74 HZ2 LYS 74 -17.946 33.431 12.239 577 HZ3 LYS 74 HZ3 LYS 74 -17.241 34.100 13.553 578 H HIS 75 H HIS 75 -25.093 30.569 14.970 579 HA HIS 75 HA HIS 75 -25.983 33.266 14.560 580 HB2 HIS 75 HB2 HIS 75 -27.830 32.340 13.493 581 HB3 HIS 75 HB3 HIS 75 -26.494 31.284 13.134 582 HD1 HIS 75 HD1 HIS 75 -29.395 31.242 15.785 583 HD2 HIS 75 HD2 HIS 75 -27.164 28.773 13.223 584 HE1 HIS 75 HE1 HIS 75 -30.410 28.953 15.960 585 H SER 76 H SER 76 -28.107 34.123 15.194 586 HA SER 76 HA SER 76 -28.287 34.370 18.034 587 HB2 SER 76 HB2 SER 76 -28.847 36.196 16.516 588 HB3 SER 76 HB3 SER 76 -30.271 35.296 15.944 589 HG SER 76 HG SER 76 -30.671 36.717 17.755 590 H LYS 77 H LYS 77 -29.856 33.856 19.471 591 HA LYS 77 HA LYS 77 -30.823 31.162 19.407 592 HB2 LYS 77 HB2 LYS 77 -31.271 33.471 21.350 593 HB3 LYS 77 HB3 LYS 77 -31.780 31.825 21.670 594 HG2 LYS 77 HG2 LYS 77 -28.882 32.657 21.223 595 HG3 LYS 77 HG3 LYS 77 -29.670 32.460 22.788 596 HD2 LYS 77 HD2 LYS 77 -30.177 30.065 22.186 597 HD3 LYS 77 HD3 LYS 77 -29.184 30.270 20.725 598 HE2 LYS 77 HE2 LYS 77 -27.242 30.871 22.122 599 HE3 LYS 77 HE3 LYS 77 -28.229 30.764 23.572 600 HZ1 LYS 77 HZ1 LYS 77 -27.587 28.491 21.781 601 HZ2 LYS 77 HZ2 LYS 77 -26.975 28.742 23.274 602 HZ3 LYS 77 HZ3 LYS 77 -28.554 28.393 23.102 603 H GLU 78 H GLU 78 -32.491 34.115 18.585 604 HA GLU 78 HA GLU 78 -35.168 33.018 18.925 605 HB2 GLU 78 HB2 GLU 78 -34.427 35.445 19.135 606 HB3 GLU 78 HB3 GLU 78 -34.407 35.512 17.376 607 HG2 GLU 78 HG2 GLU 78 -36.842 35.013 17.338 608 HG3 GLU 78 HG3 GLU 78 -36.818 34.723 19.071 609 H ARG 79 H ARG 79 -33.623 31.281 17.404 610 HA ARG 79 HA ARG 79 -33.060 30.331 15.416 611 HB2 ARG 79 HB2 ARG 79 -36.059 30.620 15.097 612 HB3 ARG 79 HB3 ARG 79 -35.042 29.716 13.970 613 HG2 ARG 79 HG2 ARG 79 -34.226 28.278 15.797 614 HG3 ARG 79 HG3 ARG 79 -35.298 29.104 16.941 615 HD2 ARG 79 HD2 ARG 79 -37.261 28.319 15.820 616 HD3 ARG 79 HD3 ARG 79 -36.340 27.809 14.397 617 HE ARG 79 HE ARG 79 -35.329 26.327 16.566 618 HH11 ARG 79 HH11 ARG 79 -38.406 26.476 14.866 619 HH12 ARG 79 HH12 ARG 79 -38.709 24.770 15.134 620 HH21 ARG 79 HH21 ARG 79 -35.746 24.243 16.806 621 HH22 ARG 79 HH22 ARG 79 -37.239 23.520 16.240 622 H CYS 80 H CYS 80 -32.142 32.688 15.400 623 HA CYS 80 HA CYS 80 -31.463 34.519 14.112 624 HB2 CYS 80 HB2 CYS 80 -29.868 33.548 12.523 625 HB3 CYS 80 HB3 CYS 80 -29.898 32.745 14.101 626 HG CYS 80 HG CYS 80 -31.466 31.796 11.368 627 HA PRO 81 HA PRO 81 -34.866 34.686 10.960 628 HB2 PRO 81 HB2 PRO 81 -36.007 37.087 11.647 629 HB3 PRO 81 HB3 PRO 81 -36.360 35.546 12.482 630 HG2 PRO 81 HG2 PRO 81 -34.399 37.702 13.320 631 HG3 PRO 81 HG3 PRO 81 -35.651 36.897 14.318 632 HD2 PRO 81 HD2 PRO 81 -33.059 36.090 14.347 633 HD3 PRO 81 HD3 PRO 81 -34.394 34.906 14.452 634 H SER 82 H SER 82 -32.527 37.194 11.822 635 HA SER 82 HA SER 82 -32.663 38.493 9.161 636 HB2 SER 82 HB2 SER 82 -31.563 40.342 10.453 637 HB3 SER 82 HB3 SER 82 -33.125 39.846 11.132 638 HG SER 82 HG SER 82 -31.454 39.924 12.714 639 H ILE 83 H ILE 83 -30.659 36.175 10.580 640 HA ILE 83 HA ILE 83 -28.078 37.251 10.145 641 HB ILE 83 HB ILE 83 -28.677 35.217 11.491 642 HG12 ILE 83 HG12 ILE 83 -26.634 33.917 11.026 643 HG13 ILE 83 HG13 ILE 83 -26.380 34.817 9.535 644 HG21 ILE 83 HG21 ILE 83 -30.072 34.051 9.762 645 HG22 ILE 83 HG22 ILE 83 -28.594 33.718 8.834 646 HG23 ILE 83 HG23 ILE 83 -28.803 33.025 10.442 647 HD11 ILE 83 HD11 ILE 83 -24.982 35.619 11.433 648 HD12 ILE 83 HD12 ILE 83 -26.046 36.899 10.836 649 HD13 ILE 83 HD13 ILE 83 -26.450 36.031 12.339 650 H TRP 84 H TRP 84 -30.311 35.848 7.853 651 HA TRP 84 HA TRP 84 -28.414 35.711 5.657 652 HB2 TRP 84 HB2 TRP 84 -30.350 34.180 5.976 653 HB3 TRP 84 HB3 TRP 84 -31.436 35.519 5.636 654 HD1 TRP 84 HD1 TRP 84 -28.275 34.296 3.741 655 HE1 TRP 84 HE1 TRP 84 -28.853 33.961 1.278 656 HE3 TRP 84 HE3 TRP 84 -33.291 35.281 3.946 657 HZ2 TRP 84 HZ2 TRP 84 -31.163 34.181 -0.421 658 HZ3 TRP 84 HZ3 TRP 84 -34.656 35.212 1.874 659 HH2 TRP 84 HH2 TRP 84 -33.603 34.686 -0.310 660 H ARG 85 H ARG 85 -29.299 38.389 7.112 661 HA ARG 85 HA ARG 85 -28.844 39.988 4.628 662 HB2 ARG 85 HB2 ARG 85 -30.485 40.790 7.069 663 HB3 ARG 85 HB3 ARG 85 -30.062 41.868 5.750 664 HG2 ARG 85 HG2 ARG 85 -31.796 39.372 5.474 665 HG3 ARG 85 HG3 ARG 85 -32.373 41.032 5.589 666 HD2 ARG 85 HD2 ARG 85 -31.239 41.633 3.510 667 HD3 ARG 85 HD3 ARG 85 -30.564 40.020 3.346 668 HE ARG 85 HE ARG 85 -33.373 40.858 2.912 669 HH11 ARG 85 HH11 ARG 85 -31.198 38.084 3.022 670 HH12 ARG 85 HH12 ARG 85 -32.304 37.084 2.122 671 HH21 ARG 85 HH21 ARG 85 -34.719 39.492 1.773 672 HH22 ARG 85 HH22 ARG 85 -34.211 37.854 1.435 673 H ALA 86 H ALA 86 -27.309 38.843 7.299 674 HA ALA 86 HA ALA 86 -25.893 41.257 8.100 675 HB1 ALA 86 HB1 ALA 86 -26.382 39.392 9.652 676 HB2 ALA 86 HB2 ALA 86 -25.319 38.329 8.697 677 HB3 ALA 86 HB3 ALA 86 -24.647 39.734 9.540 678 H TYR 87 H TYR 87 -25.549 39.258 5.359 679 HA TYR 87 HA TYR 87 -22.716 39.085 5.161 680 HB2 TYR 87 HB2 TYR 87 -23.112 38.378 2.887 681 HB3 TYR 87 HB3 TYR 87 -24.248 37.620 3.978 682 HD1 TYR 87 HD1 TYR 87 -23.887 40.276 1.380 683 HD2 TYR 87 HD2 TYR 87 -26.620 37.860 3.686 684 HE1 TYR 87 HE1 TYR 87 -25.762 41.017 -0.069 685 HE2 TYR 87 HE2 TYR 87 -28.493 38.595 2.207 686 HH TYR 87 HH TYR 87 -28.061 40.799 -0.474 687 H ILE 88 H ILE 88 -24.706 41.859 4.631 688 HA ILE 88 HA ILE 88 -22.972 43.122 2.683 689 HB ILE 88 HB ILE 88 -25.421 43.364 2.784 690 HG12 ILE 88 HG12 ILE 88 -24.041 46.066 2.919 691 HG13 ILE 88 HG13 ILE 88 -23.881 44.939 1.568 692 HG21 ILE 88 HG21 ILE 88 -26.494 44.913 4.346 693 HG22 ILE 88 HG22 ILE 88 -25.713 43.613 5.232 694 HG23 ILE 88 HG23 ILE 88 -24.947 45.219 5.154 695 HD11 ILE 88 HD11 ILE 88 -26.338 45.021 1.205 696 HD12 ILE 88 HD12 ILE 88 -26.475 46.232 2.506 697 HD13 ILE 88 HD13 ILE 88 -25.556 46.604 1.039 698 H LEU 89 H LEU 89 -22.622 42.828 6.046 699 HA LEU 89 HA LEU 89 -21.313 45.424 6.459 700 HB2 LEU 89 HB2 LEU 89 -21.733 43.071 8.345 701 HB3 LEU 89 HB3 LEU 89 -21.007 44.598 8.778 702 HG LEU 89 HG LEU 89 -23.088 44.787 9.641 703 HD11 LEU 89 HD11 LEU 89 -22.502 46.777 8.286 704 HD12 LEU 89 HD12 LEU 89 -23.480 46.130 6.945 705 HD13 LEU 89 HD13 LEU 89 -24.246 46.552 8.490 706 HD21 LEU 89 HD21 LEU 89 -24.173 42.867 8.657 707 HD22 LEU 89 HD22 LEU 89 -25.213 44.292 8.574 708 HD23 LEU 89 HD23 LEU 89 -24.385 43.727 7.106 709 H VAL 90 H VAL 90 -20.114 43.025 4.755 710 HA VAL 90 HA VAL 90 -17.546 42.698 6.212 711 HB VAL 90 HB VAL 90 -19.120 40.793 5.568 712 HG11 VAL 90 HG11 VAL 90 -18.891 39.773 3.418 713 HG12 VAL 90 HG12 VAL 90 -19.382 41.455 3.156 714 HG13 VAL 90 HG13 VAL 90 -17.693 40.970 2.889 715 HG21 VAL 90 HG21 VAL 90 -17.335 39.210 5.346 716 HG22 VAL 90 HG22 VAL 90 -16.193 40.471 4.843 717 HG23 VAL 90 HG23 VAL 90 -16.864 40.473 6.490 718 H ASP 91 H ASP 91 -18.574 44.565 3.604 719 HA ASP 91 HA ASP 91 -15.805 44.743 2.506 720 HB2 ASP 91 HB2 ASP 91 -16.586 44.808 0.268 721 HB3 ASP 91 HB3 ASP 91 -17.171 43.342 1.023 722 H ASP 92 H ASP 92 -15.268 46.698 1.380 723 HA ASP 92 HA ASP 92 -16.508 49.037 2.768 724 HB2 ASP 92 HB2 ASP 92 -14.367 48.011 3.638 725 HB3 ASP 92 HB3 ASP 92 -13.588 48.531 2.153 726 H ASN 93 H ASN 93 -15.380 48.035 -0.411 727 HA ASN 93 HA ASN 93 -16.164 50.648 -1.536 728 HB2 ASN 93 HB2 ASN 93 -13.422 49.384 -1.972 729 HB3 ASN 93 HB3 ASN 93 -14.086 50.650 -2.996 730 HD21 ASN 93 HD22 ASN 93 -14.736 52.758 -1.838 731 HD22 ASN 93 HD21 ASN 93 -13.657 53.240 -0.534 732 H GLU 94 H GLU 94 -16.520 50.589 -3.854 733 HA GLU 94 HA GLU 94 -17.179 47.861 -4.879 734 HB2 GLU 94 HB2 GLU 94 -19.284 48.544 -5.563 735 HB3 GLU 94 HB3 GLU 94 -19.114 49.118 -3.917 736 HG2 GLU 94 HG2 GLU 94 -18.911 50.787 -6.462 737 HG3 GLU 94 HG3 GLU 94 -20.265 50.735 -5.358 738 H LYS 95 H LYS 95 -15.317 50.540 -5.698 739 HA LYS 95 HA LYS 95 -15.137 49.574 -8.495 740 HB2 LYS 95 HB2 LYS 95 -15.289 51.706 -9.490 741 HB3 LYS 95 HB3 LYS 95 -16.688 51.539 -8.444 742 HG2 LYS 95 HG2 LYS 95 -15.494 52.949 -6.709 743 HG3 LYS 95 HG3 LYS 95 -14.145 53.111 -7.831 744 HD2 LYS 95 HD2 LYS 95 -15.423 55.111 -8.016 745 HD3 LYS 95 HD3 LYS 95 -15.628 54.188 -9.495 746 HE2 LYS 95 HE2 LYS 95 -17.750 55.103 -8.941 747 HE3 LYS 95 HE3 LYS 95 -17.846 53.373 -8.647 748 HZ1 LYS 95 HZ1 LYS 95 -18.826 54.702 -6.839 749 HZ2 LYS 95 HZ2 LYS 95 -17.592 53.811 -6.292 750 HZ3 LYS 95 HZ3 LYS 95 -17.382 55.408 -6.526 751 H ALA 96 H ALA 96 -13.263 50.218 -9.653 752 HA ALA 96 HA ALA 96 -10.937 51.259 -8.187 753 HB1 ALA 96 HB1 ALA 96 -9.535 49.310 -8.768 754 HB2 ALA 96 HB2 ALA 96 -10.882 48.822 -7.728 755 HB3 ALA 96 HB3 ALA 96 -10.944 48.491 -9.473 756 H LYS 97 H LYS 97 -9.068 51.583 -9.677 757 HA LYS 97 HA LYS 97 -9.634 51.583 -12.544 758 HB2 LYS 97 HB2 LYS 97 -9.021 53.827 -12.989 759 HB3 LYS 97 HB3 LYS 97 -10.383 53.817 -11.903 760 HG2 LYS 97 HG2 LYS 97 -7.481 54.357 -11.091 761 HG3 LYS 97 HG3 LYS 97 -8.659 55.583 -11.493 762 HD2 LYS 97 HD2 LYS 97 -8.799 53.740 -9.075 763 HD3 LYS 97 HD3 LYS 97 -8.365 55.447 -9.106 764 HE2 LYS 97 HE2 LYS 97 -10.627 55.984 -10.045 765 HE3 LYS 97 HE3 LYS 97 -11.082 54.297 -9.852 766 HZ1 LYS 97 HZ1 LYS 97 -10.278 56.115 -7.647 767 HZ2 LYS 97 HZ2 LYS 97 -11.798 55.641 -7.963 768 HZ3 LYS 97 HZ3 LYS 97 -10.702 54.550 -7.446 769 HA PRO 98 HA PRO 98 -5.364 50.304 -12.660 770 HB2 PRO 98 HB2 PRO 98 -5.277 51.532 -15.400 771 HB3 PRO 98 HB3 PRO 98 -4.800 49.888 -14.885 772 HG2 PRO 98 HG2 PRO 98 -7.137 50.289 -16.192 773 HG3 PRO 98 HG3 PRO 98 -7.078 49.183 -14.782 774 HD2 PRO 98 HD2 PRO 98 -7.976 52.079 -14.849 775 HD3 PRO 98 HD3 PRO 98 -8.779 50.652 -14.125 776 H LYS 99 H LYS 99 -3.179 51.077 -12.843 777 HA LYS 99 HA LYS 99 -2.686 53.995 -13.043 778 HB2 LYS 99 HB2 LYS 99 -1.721 52.243 -10.742 779 HB3 LYS 99 HB3 LYS 99 -1.137 53.872 -11.089 780 HG2 LYS 99 HG2 LYS 99 -3.487 54.727 -10.842 781 HG3 LYS 99 HG3 LYS 99 -3.981 53.106 -10.319 782 HD2 LYS 99 HD2 LYS 99 -2.406 53.230 -8.415 783 HD3 LYS 99 HD3 LYS 99 -1.892 54.849 -8.943 784 HE2 LYS 99 HE2 LYS 99 -4.238 55.647 -8.715 785 HE3 LYS 99 HE3 LYS 99 -4.724 54.053 -8.154 786 HZ1 LYS 99 HZ1 LYS 99 -3.219 54.352 -6.247 787 HZ2 LYS 99 HZ2 LYS 99 -2.806 55.846 -6.767 788 HZ3 LYS 99 HZ3 LYS 99 -4.332 55.540 -6.293 789 H VAL 100 H VAL 100 -0.520 54.556 -13.515 790 HA VAL 100 HA VAL 100 0.785 52.606 -15.304 791 HB VAL 100 HB VAL 100 2.063 54.512 -16.141 792 HG11 VAL 100 HG11 VAL 100 -0.161 53.973 -17.088 793 HG12 VAL 100 HG12 VAL 100 -0.913 55.137 -15.975 794 HG13 VAL 100 HG13 VAL 100 0.235 55.695 -17.205 795 HG21 VAL 100 HG21 VAL 100 1.583 56.801 -15.439 796 HG22 VAL 100 HG22 VAL 100 0.485 56.233 -14.170 797 HG23 VAL 100 HG23 VAL 100 2.227 55.882 -14.074 798 H LEU 101 H LEU 101 1.288 53.530 -12.096 799 HA LEU 101 HA LEU 101 4.149 53.559 -12.049 800 HB2 LEU 101 HB2 LEU 101 2.650 54.746 -10.484 801 HB3 LEU 101 HB3 LEU 101 2.143 53.209 -9.796 802 HG LEU 101 HG LEU 101 4.466 52.806 -8.988 803 HD11 LEU 101 HD11 LEU 101 4.998 55.608 -10.086 804 HD12 LEU 101 HD12 LEU 101 6.077 54.715 -8.992 805 HD13 LEU 101 HD13 LEU 101 5.782 54.102 -10.621 806 HD21 LEU 101 HD21 LEU 101 3.296 55.507 -8.201 807 HD22 LEU 101 HD22 LEU 101 2.795 53.928 -7.561 808 HD23 LEU 101 HD23 LEU 101 4.426 54.533 -7.235 809 HA PRO 102 HA PRO 102 3.807 49.063 -10.247 810 HB2 PRO 102 HB2 PRO 102 1.707 47.976 -12.117 811 HB3 PRO 102 HB3 PRO 102 2.102 47.470 -10.445 812 HG2 PRO 102 HG2 PRO 102 -0.034 49.060 -10.889 813 HG3 PRO 102 HG3 PRO 102 1.084 49.452 -9.540 814 HD2 PRO 102 HD2 PRO 102 1.027 50.636 -12.331 815 HD3 PRO 102 HD3 PRO 102 1.096 51.477 -10.751 816 H PHE 103 H PHE 103 5.133 47.391 -10.944 817 HA PHE 103 HA PHE 103 6.513 47.864 -13.458 818 HB2 PHE 103 HB2 PHE 103 8.084 46.131 -12.545 819 HB3 PHE 103 HB3 PHE 103 7.862 47.577 -11.587 820 HD1 PHE 103 HD1 PHE 103 6.940 43.954 -11.789 821 HD2 PHE 103 HD2 PHE 103 7.083 47.496 -9.336 822 HE1 PHE 103 HE1 PHE 103 6.394 42.598 -9.780 823 HE2 PHE 103 HE2 PHE 103 6.525 46.138 -7.342 824 HZ PHE 103 HZ PHE 103 6.176 43.690 -7.562 825 H HIS 104 H HIS 104 4.133 45.550 -12.486 826 HA HIS 104 HA HIS 104 3.125 43.816 -13.569 827 HB2 HIS 104 HB2 HIS 104 2.411 46.066 -14.463 828 HB3 HIS 104 HB3 HIS 104 3.362 45.723 -15.900 829 HD1 HIS 104 HD1 HIS 104 2.500 43.265 -17.141 830 HD2 HIS 104 HD2 HIS 104 -0.060 45.250 -14.485 831 HE1 HIS 104 HE1 HIS 104 0.168 42.396 -17.638 832 H THR 105 H THR 105 5.403 42.672 -13.325 833 HA THR 105 HA THR 105 5.619 41.103 -15.824 834 HB THR 105 HB THR 105 7.415 42.695 -15.976 835 HG1 THR 105 HG1 THR 105 8.909 41.094 -16.398 836 HG21 THR 105 HG21 THR 105 8.604 41.456 -13.455 837 HG22 THR 105 HG22 THR 105 9.414 42.572 -14.573 838 HG23 THR 105 HG23 THR 105 8.019 43.125 -13.646 839 H ILE 106 H ILE 106 4.082 40.432 -13.810 840 HA ILE 106 HA ILE 106 5.551 38.700 -11.917 841 HB ILE 106 HB ILE 106 3.523 38.793 -10.577 842 HG12 ILE 106 HG12 ILE 106 2.368 40.643 -12.717 843 HG13 ILE 106 HG13 ILE 106 1.882 38.965 -12.479 844 HG21 ILE 106 HG21 ILE 106 3.757 41.085 -9.874 845 HG22 ILE 106 HG22 ILE 106 5.333 40.514 -10.423 846 HG23 ILE 106 HG23 ILE 106 4.366 41.583 -11.463 847 HD11 ILE 106 HD11 ILE 106 1.172 39.525 -10.147 848 HD12 ILE 106 HD12 ILE 106 1.527 41.238 -10.489 849 HD13 ILE 106 HD13 ILE 106 0.271 40.391 -11.406 850 H TYR 107 H TYR 107 4.102 38.011 -14.831 851 HA TYR 107 HA TYR 107 3.583 35.207 -14.079 852 HB2 TYR 107 HB2 TYR 107 1.490 36.421 -13.546 853 HB3 TYR 107 HB3 TYR 107 1.439 37.051 -15.182 854 HD1 TYR 107 HD2 TYR 107 1.990 33.586 -13.732 855 HD2 TYR 107 HD1 TYR 107 -0.369 36.128 -16.299 856 HE1 TYR 107 HE2 TYR 107 0.679 31.621 -14.475 857 HE2 TYR 107 HE1 TYR 107 -1.692 34.147 -17.029 858 HH TYR 107 HH TYR 107 -1.052 30.896 -15.869 859 H CYS 108 H CYS 108 3.461 33.758 -15.844 860 HA CYS 108 HA CYS 108 4.777 34.616 -18.322 861 HB2 CYS 108 HB2 CYS 108 4.008 31.930 -17.139 862 HB3 CYS 108 HB3 CYS 108 4.624 32.090 -18.786 863 HG CYS 108 HG CYS 108 5.999 32.893 -15.934 864 H TYR 109 H TYR 109 1.699 35.024 -17.589 865 HA TYR 109 HA TYR 109 -0.213 35.383 -18.663 866 HB2 TYR 109 HB2 TYR 109 1.484 35.358 -21.163 867 HB3 TYR 109 HB3 TYR 109 -0.158 35.957 -21.041 868 HD1 TYR 109 HD2 TYR 109 -0.711 37.849 -19.453 869 HD2 TYR 109 HD1 TYR 109 3.333 36.791 -20.508 870 HE1 TYR 109 HE2 TYR 109 0.080 40.080 -18.673 871 HE2 TYR 109 HE1 TYR 109 4.120 39.017 -19.736 872 HH TYR 109 HH TYR 109 3.452 41.060 -18.814 873 H ASN 110 H ASN 110 1.309 32.452 -19.889 874 HA ASN 110 HA ASN 110 -1.424 31.316 -20.402 875 HB2 ASN 110 HB2 ASN 110 1.142 31.067 -22.026 876 HB3 ASN 110 HB3 ASN 110 -0.250 30.016 -22.250 877 HD21 ASN 110 HD22 ASN 110 -2.281 30.941 -23.044 878 HD22 ASN 110 HD21 ASN 110 -2.227 32.469 -23.911 879 H CYS 111 H CYS 111 1.414 30.832 -18.533 880 HA CYS 111 HA CYS 111 0.595 28.096 -17.833 881 HB2 CYS 111 HB2 CYS 111 2.795 27.115 -18.365 882 HB3 CYS 111 HB3 CYS 111 1.985 27.709 -19.812 883 HG CYS 111 HG CYS 111 3.290 29.902 -20.064 884 H GLY 112 H GLY 112 2.142 27.137 -16.167 885 HA2 GLY 112 HA2 GLY 112 2.391 28.833 -13.876 886 HA3 GLY 112 HA3 GLY 112 3.070 27.218 -14.055 887 H GLY 113 H GLY 113 4.366 29.203 -12.642 888 HA2 GLY 113 HA2 GLY 113 6.496 30.172 -12.435 889 HA3 GLY 113 HA3 GLY 113 6.858 29.803 -14.118 890 H LYS 114 H LYS 114 7.609 32.188 -13.289 891 HA LYS 114 HA LYS 114 5.482 34.188 -13.992 892 HB2 LYS 114 HB2 LYS 114 7.681 34.375 -11.906 893 HB3 LYS 114 HB3 LYS 114 6.488 35.622 -12.277 894 HG2 LYS 114 HG2 LYS 114 4.658 34.034 -11.630 895 HG3 LYS 114 HG3 LYS 114 5.883 32.845 -11.163 896 HD2 LYS 114 HD2 LYS 114 6.810 34.425 -9.502 897 HD3 LYS 114 HD3 LYS 114 5.568 35.618 -9.944 898 HE2 LYS 114 HE2 LYS 114 3.797 34.023 -9.291 899 HE3 LYS 114 HE3 LYS 114 5.011 32.814 -8.887 900 HZ1 LYS 114 HZ1 LYS 114 4.246 34.001 -6.916 901 HZ2 LYS 114 HZ2 LYS 114 5.831 34.294 -7.145 902 HZ3 LYS 114 HZ3 LYS 114 4.722 35.435 -7.525 903 H GLY 115 H GLY 115 8.802 33.341 -14.737 904 HA2 GLY 115 HA2 GLY 115 8.881 35.413 -16.806 905 HA3 GLY 115 HA3 GLY 115 9.865 35.804 -15.407 906 H HIS 116 H HIS 116 9.697 32.397 -16.479 907 HA HIS 116 HA HIS 116 12.573 32.342 -16.589 908 HB2 HIS 116 HB2 HIS 116 12.343 30.013 -17.223 909 HB3 HIS 116 HB3 HIS 116 11.321 30.409 -15.853 910 HD1 HIS 116 HD1 HIS 116 11.068 29.294 -19.516 911 HD2 HIS 116 HD2 HIS 116 8.655 30.114 -16.175 912 HE1 HIS 116 HE1 HIS 116 8.756 28.410 -20.070 913 H PHE 117 H PHE 117 10.197 31.863 -19.155 914 HA PHE 117 HA PHE 117 11.754 33.592 -20.954 915 HB2 PHE 117 HB2 PHE 117 12.107 31.093 -21.482 916 HB3 PHE 117 HB3 PHE 117 10.431 31.057 -21.987 917 HD1 PHE 117 HD1 PHE 117 13.633 32.979 -22.482 918 HD2 PHE 117 HD2 PHE 117 10.018 31.503 -24.312 919 HE1 PHE 117 HE1 PHE 117 14.436 33.751 -24.697 920 HE2 PHE 117 HE2 PHE 117 10.841 32.261 -26.525 921 HZ PHE 117 HZ PHE 117 13.042 33.392 -26.721 922 H GLY 118 H GLY 118 9.649 34.014 -19.107 923 HA2 GLY 118 HA2 GLY 118 6.988 33.787 -19.893 924 HA3 GLY 118 HA3 GLY 118 7.623 34.985 -18.775 925 H ASP 119 H ASP 119 9.290 36.051 -21.134 926 HA ASP 119 HA ASP 119 7.610 38.150 -22.112 927 HB2 ASP 119 HB2 ASP 119 10.110 38.158 -21.895 928 HB3 ASP 119 HB3 ASP 119 10.201 36.977 -23.192 929 H ASP 120 H ASP 120 8.475 34.967 -23.460 930 HA ASP 120 HA ASP 120 6.724 35.403 -25.833 931 HB2 ASP 120 HB2 ASP 120 9.093 36.103 -26.246 932 HB3 ASP 120 HB3 ASP 120 9.606 34.456 -25.916 933 H CYS 121 H CYS 121 7.513 33.185 -23.362 934 HA CYS 121 HA CYS 121 7.018 30.764 -24.829 935 HB2 CYS 121 HB2 CYS 121 7.125 29.623 -22.744 936 HB3 CYS 121 HB3 CYS 121 8.398 30.843 -22.801 937 HG CYS 121 HG CYS 121 7.255 32.594 -21.342 938 H LYS 122 H LYS 122 5.034 32.610 -25.367 939 HA LYS 122 HA LYS 122 2.395 31.967 -24.383 940 HB2 LYS 122 HB2 LYS 122 3.043 34.052 -25.574 941 HB3 LYS 122 HB3 LYS 122 3.466 33.107 -26.996 942 HG2 LYS 122 HG2 LYS 122 1.034 32.412 -27.181 943 HG3 LYS 122 HG3 LYS 122 0.677 33.516 -25.845 944 HD2 LYS 122 HD2 LYS 122 1.226 35.425 -27.121 945 HD3 LYS 122 HD3 LYS 122 2.152 34.514 -28.313 946 HE2 LYS 122 HE2 LYS 122 -0.838 34.165 -27.923 947 HE3 LYS 122 HE3 LYS 122 -0.152 35.329 -29.050 948 HZ1 LYS 122 HZ1 LYS 122 0.906 33.526 -30.245 949 HZ2 LYS 122 HZ2 LYS 122 0.389 32.417 -29.179 950 HZ3 LYS 122 HZ3 LYS 122 -0.688 33.189 -30.120 951 H GLU 123 H GLU 123 0.783 30.756 -25.519 952 HA GLU 123 HA GLU 123 1.604 28.247 -26.729 953 HB2 GLU 123 HB2 GLU 123 -1.128 29.573 -26.577 954 HB3 GLU 123 HB3 GLU 123 -0.812 27.919 -27.119 955 HG2 GLU 123 HG2 GLU 123 0.216 27.429 -24.879 956 HG3 GLU 123 HG3 GLU 123 -0.296 29.023 -24.334 957 H LYS 124 H LYS 124 0.882 27.474 -28.813 958 HA LYS 124 HA LYS 124 1.924 28.945 -30.981 959 HB2 LYS 124 HB2 LYS 124 1.181 27.105 -32.366 960 HB3 LYS 124 HB3 LYS 124 1.882 26.514 -30.863 961 HG2 LYS 124 HG2 LYS 124 -0.479 26.195 -29.967 962 HG3 LYS 124 HG3 LYS 124 -1.091 26.702 -31.543 963 HD2 LYS 124 HD2 LYS 124 -1.159 24.314 -31.426 964 HD3 LYS 124 HD3 LYS 124 0.074 24.778 -32.607 965 HE2 LYS 124 HE2 LYS 124 1.845 24.367 -30.928 966 HE3 LYS 124 HE3 LYS 124 0.628 23.998 -29.711 967 HZ1 LYS 124 HZ1 LYS 124 1.550 21.986 -30.704 968 HZ2 LYS 124 HZ2 LYS 124 -0.041 22.081 -31.032 969 HZ3 LYS 124 HZ3 LYS 124 1.056 22.431 -32.192 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -21.542 16.369 -1.407 2 H2 LYS 1 H2 LYS 1 -21.064 14.977 -2.128 3 H3 LYS 1 H3 LYS 1 -20.273 16.369 -2.439 4 HA LYS 1 HA LYS 1 -18.975 14.982 -0.991 5 HB2 LYS 1 HB2 LYS 1 -18.906 17.525 -0.813 6 HB3 LYS 1 HB3 LYS 1 -19.974 17.398 0.564 7 HG2 LYS 1 HG2 LYS 1 -17.788 17.568 1.451 8 HG3 LYS 1 HG3 LYS 1 -18.252 15.894 1.678 9 HD2 LYS 1 HD2 LYS 1 -15.965 15.956 0.970 10 HD3 LYS 1 HD3 LYS 1 -16.893 15.292 -0.375 11 HE2 LYS 1 HE2 LYS 1 -16.861 17.522 -1.486 12 HE3 LYS 1 HE3 LYS 1 -16.009 18.201 -0.106 13 HZ1 LYS 1 HZ1 LYS 1 -14.478 17.648 -1.884 14 HZ2 LYS 1 HZ2 LYS 1 -14.151 16.703 -0.600 15 HZ3 LYS 1 HZ3 LYS 1 -14.941 16.088 -1.894 16 H GLU 2 H GLU 2 -21.587 16.183 1.175 17 HA GLU 2 HA GLU 2 -22.773 15.220 2.813 18 HB2 GLU 2 HB2 GLU 2 -22.902 12.906 0.865 19 HB3 GLU 2 HB3 GLU 2 -23.992 13.176 2.233 20 HG2 GLU 2 HG2 GLU 2 -24.659 15.364 1.262 21 HG3 GLU 2 HG3 GLU 2 -23.670 15.034 -0.153 22 H ALA 3 H ALA 3 -19.955 14.946 3.298 23 HA ALA 3 HA ALA 3 -19.598 12.354 4.627 24 HB1 ALA 3 HB1 ALA 3 -17.401 13.259 5.227 25 HB2 ALA 3 HB2 ALA 3 -17.723 13.428 3.493 26 HB3 ALA 3 HB3 ALA 3 -17.852 14.842 4.564 27 H ALA 4 H ALA 4 -21.041 12.106 6.291 28 HA ALA 4 HA ALA 4 -21.707 14.067 8.233 29 HB1 ALA 4 HB1 ALA 4 -21.875 11.026 8.379 30 HB2 ALA 4 HB2 ALA 4 -22.624 12.167 9.510 31 HB3 ALA 4 HB3 ALA 4 -23.119 12.147 7.809 32 HA PRO 5 HA PRO 5 -18.470 12.384 11.236 33 HB2 PRO 5 HB2 PRO 5 -16.517 10.614 10.567 34 HB3 PRO 5 HB3 PRO 5 -18.184 10.118 10.977 35 HG2 PRO 5 HG2 PRO 5 -17.021 10.525 8.194 36 HG3 PRO 5 HG3 PRO 5 -17.944 9.119 8.818 37 HD2 PRO 5 HD2 PRO 5 -19.111 11.100 7.402 38 HD3 PRO 5 HD3 PRO 5 -19.945 10.300 8.773 39 H LYS 6 H LYS 6 -16.931 12.629 8.037 40 HA LYS 6 HA LYS 6 -15.121 13.641 7.170 41 HB2 LYS 6 HB2 LYS 6 -16.375 15.629 8.404 42 HB3 LYS 6 HB3 LYS 6 -14.934 15.652 9.396 43 HG2 LYS 6 HG2 LYS 6 -15.232 16.143 6.427 44 HG3 LYS 6 HG3 LYS 6 -14.715 17.269 7.683 45 HD2 LYS 6 HD2 LYS 6 -12.618 15.849 7.961 46 HD3 LYS 6 HD3 LYS 6 -13.105 14.967 6.504 47 HE2 LYS 6 HE2 LYS 6 -12.532 17.945 6.747 48 HE3 LYS 6 HE3 LYS 6 -11.501 16.752 5.985 49 HZ1 LYS 6 HZ1 LYS 6 -12.771 17.950 4.336 50 HZ2 LYS 6 HZ2 LYS 6 -13.285 16.400 4.322 51 HZ3 LYS 6 HZ3 LYS 6 -14.186 17.569 5.027 52 H CYS 7 H CYS 7 -14.583 13.618 10.671 53 HA CYS 7 HA CYS 7 -12.136 11.968 10.520 54 HB2 CYS 7 HB2 CYS 7 -12.249 14.918 11.081 55 HB3 CYS 7 HB3 CYS 7 -11.266 13.954 12.176 56 HG CYS 7 HG CYS 7 -11.128 13.706 8.882 57 H ASN 8 H ASN 8 -11.490 11.179 12.634 58 HA ASN 8 HA ASN 8 -13.491 11.352 14.826 59 HB2 ASN 8 HB2 ASN 8 -12.184 9.211 14.544 60 HB3 ASN 8 HB3 ASN 8 -10.700 10.122 14.828 61 HD21 ASN 8 HD22 ASN 8 -10.361 8.612 16.642 62 HD22 ASN 8 HD21 ASN 8 -11.223 8.926 18.146 63 H ASN 9 H ASN 9 -10.126 12.343 14.173 64 HA ASN 9 HA ASN 9 -10.477 14.837 15.715 65 HB2 ASN 9 HB2 ASN 9 -9.348 12.998 17.103 66 HB3 ASN 9 HB3 ASN 9 -8.022 13.046 15.942 67 HD21 ASN 9 HD22 ASN 9 -6.931 13.531 18.146 68 HD22 ASN 9 HD21 ASN 9 -6.835 15.238 18.576 69 H CYS 10 H CYS 10 -8.731 16.409 15.134 70 HA CYS 10 HA CYS 10 -8.370 17.928 13.547 71 HB2 CYS 10 HB2 CYS 10 -6.545 17.660 12.101 72 HB3 CYS 10 HB3 CYS 10 -6.213 16.791 13.584 73 HG CYS 10 HG CYS 10 -5.130 15.446 11.733 74 H SER 11 H SER 11 -8.094 17.711 10.646 75 HA SER 11 HA SER 11 -10.969 17.296 9.920 76 HB2 SER 11 HB2 SER 11 -10.952 19.683 9.139 77 HB3 SER 11 HB3 SER 11 -10.744 19.505 10.884 78 HG SER 11 HG SER 11 -9.169 20.882 10.011 79 H GLN 12 H GLN 12 -8.581 15.880 8.925 80 HA GLN 12 HA GLN 12 -8.322 16.855 6.135 81 HB2 GLN 12 HB2 GLN 12 -6.828 14.679 7.619 82 HB3 GLN 12 HB3 GLN 12 -6.554 15.157 5.935 83 HG2 GLN 12 HG2 GLN 12 -6.068 17.500 6.718 84 HG3 GLN 12 HG3 GLN 12 -6.193 16.941 8.387 85 HE21 GLN 12 HE22 GLN 12 -4.630 15.128 9.037 86 HE22 GLN 12 HE21 GLN 12 -3.039 15.174 8.279 87 H ARG 13 H ARG 13 -8.827 15.656 4.324 88 HA ARG 13 HA ARG 13 -11.415 14.522 4.548 89 HB2 ARG 13 HB2 ARG 13 -11.454 14.555 2.167 90 HB3 ARG 13 HB3 ARG 13 -10.521 15.953 2.684 91 HG2 ARG 13 HG2 ARG 13 -8.405 14.594 2.235 92 HG3 ARG 13 HG3 ARG 13 -9.445 13.327 1.563 93 HD2 ARG 13 HD2 ARG 13 -10.315 14.982 -0.099 94 HD3 ARG 13 HD3 ARG 13 -9.167 16.167 0.541 95 HE ARG 13 HE ARG 13 -8.052 13.569 -0.352 96 HH11 ARG 13 HH11 ARG 13 -8.597 16.909 -1.315 97 HH12 ARG 13 HH12 ARG 13 -7.375 16.830 -2.565 98 HH21 ARG 13 HH22 ARG 13 -6.534 13.544 -1.952 99 HH22 ARG 13 HH21 ARG 13 -6.243 14.967 -2.916 100 H GLY 14 H GLY 14 -8.386 12.826 4.294 101 HA2 GLY 14 HA2 GLY 14 -9.453 10.516 2.949 102 HA3 GLY 14 HA3 GLY 14 -7.835 10.696 3.619 103 H HIS 15 H HIS 15 -9.487 11.227 6.329 104 HA HIS 15 HA HIS 15 -9.926 8.370 6.996 105 HB2 HIS 15 HB2 HIS 15 -8.285 8.347 8.725 106 HB3 HIS 15 HB3 HIS 15 -7.570 8.668 7.170 107 HD1 HIS 15 HD1 HIS 15 -5.667 9.371 9.285 108 HD2 HIS 15 HD2 HIS 15 -8.714 12.032 8.149 109 HE1 HIS 15 HE1 HIS 15 -4.937 11.676 10.056 110 H LEU 16 H LEU 16 -12.061 8.964 7.166 111 HA LEU 16 HA LEU 16 -13.160 10.601 9.260 112 HB2 LEU 16 HB2 LEU 16 -15.219 9.402 8.786 113 HB3 LEU 16 HB3 LEU 16 -14.421 9.943 7.327 114 HG LEU 16 HG LEU 16 -13.419 7.320 7.658 115 HD11 LEU 16 HD11 LEU 16 -15.397 5.912 7.960 116 HD12 LEU 16 HD12 LEU 16 -15.105 6.865 9.425 117 HD13 LEU 16 HD13 LEU 16 -16.398 7.336 8.296 118 HD21 LEU 16 HD21 LEU 16 -14.828 6.773 5.739 119 HD22 LEU 16 HD22 LEU 16 -15.817 8.229 6.018 120 HD23 LEU 16 HD23 LEU 16 -14.110 8.378 5.544 121 H LYS 17 H LYS 17 -14.791 9.257 10.802 122 HA LYS 17 HA LYS 17 -13.547 9.052 13.074 123 HB2 LYS 17 HB2 LYS 17 -16.084 8.657 12.372 124 HB3 LYS 17 HB3 LYS 17 -15.747 6.997 12.786 125 HG2 LYS 17 HG2 LYS 17 -15.348 9.452 14.547 126 HG3 LYS 17 HG3 LYS 17 -16.693 8.330 14.648 127 HD2 LYS 17 HD2 LYS 17 -13.784 7.647 15.304 128 HD3 LYS 17 HD3 LYS 17 -15.064 8.026 16.451 129 HE2 LYS 17 HE2 LYS 17 -16.376 6.063 15.532 130 HE3 LYS 17 HE3 LYS 17 -14.957 5.616 14.595 131 HZ1 LYS 17 HZ1 LYS 17 -15.019 4.437 16.709 132 HZ2 LYS 17 HZ2 LYS 17 -13.725 5.428 16.709 133 HZ3 LYS 17 HZ3 LYS 17 -15.067 5.823 17.552 134 H LYS 18 H LYS 18 -14.377 5.868 11.684 135 HA LYS 18 HA LYS 18 -12.566 4.370 13.333 136 HB2 LYS 18 HB2 LYS 18 -13.302 2.463 12.035 137 HB3 LYS 18 HB3 LYS 18 -14.680 3.499 12.396 138 HG2 LYS 18 HG2 LYS 18 -14.600 4.445 10.109 139 HG3 LYS 18 HG3 LYS 18 -13.157 3.471 9.750 140 HD2 LYS 18 HD2 LYS 18 -14.468 1.399 10.036 141 HD3 LYS 18 HD3 LYS 18 -15.894 2.352 10.458 142 HE2 LYS 18 HE2 LYS 18 -16.094 1.668 8.160 143 HE3 LYS 18 HE3 LYS 18 -15.875 3.414 8.225 144 HZ1 LYS 18 HZ1 LYS 18 -13.564 3.092 7.603 145 HZ2 LYS 18 HZ2 LYS 18 -13.729 1.467 7.594 146 HZ3 LYS 18 HZ3 LYS 18 -14.508 2.391 6.494 147 H ASP 19 H ASP 19 -11.931 6.031 10.396 148 HA ASP 19 HA ASP 19 -9.611 4.363 9.638 149 HB2 ASP 19 HB2 ASP 19 -11.132 6.633 8.323 150 HB3 ASP 19 HB3 ASP 19 -9.598 6.053 7.705 151 H CYS 20 H CYS 20 -10.244 7.432 11.230 152 HA CYS 20 HA CYS 20 -7.904 8.838 10.776 153 HB2 CYS 20 HB2 CYS 20 -10.063 9.555 11.853 154 HB3 CYS 20 HB3 CYS 20 -9.473 8.868 13.377 155 HG CYS 20 HG CYS 20 -7.174 10.290 13.296 156 HA PRO 21 HA PRO 21 -5.507 7.015 14.358 157 HB2 PRO 21 HB2 PRO 21 -6.353 5.118 16.059 158 HB3 PRO 21 HB3 PRO 21 -7.067 6.756 16.063 159 HG2 PRO 21 HG2 PRO 21 -8.144 4.265 14.700 160 HG3 PRO 21 HG3 PRO 21 -9.017 5.396 15.785 161 HD2 PRO 21 HD2 PRO 21 -9.072 5.559 13.035 162 HD3 PRO 21 HD3 PRO 21 -9.240 6.978 14.110 163 H HIS 22 H HIS 22 -6.587 4.858 11.946 164 HA HIS 22 HA HIS 22 -4.414 2.872 12.510 165 HB2 HIS 22 HB2 HIS 22 -7.243 2.292 11.586 166 HB3 HIS 22 HB3 HIS 22 -5.966 1.103 11.800 167 HD1 HIS 22 HD1 HIS 22 -8.900 1.654 13.475 168 HD2 HIS 22 HD2 HIS 22 -4.891 1.845 14.705 169 HE1 HIS 22 HE1 HIS 22 -8.907 1.288 15.990 170 H ILE 23 H ILE 23 -3.563 1.696 10.771 171 HA ILE 23 HA ILE 23 -3.741 3.011 8.123 172 HB ILE 23 HB ILE 23 -1.764 1.814 7.522 173 HG12 ILE 23 HG12 ILE 23 -0.547 0.569 9.525 174 HG13 ILE 23 HG13 ILE 23 -2.185 0.225 10.063 175 HG21 ILE 23 HG21 ILE 23 -0.208 2.877 9.019 176 HG22 ILE 23 HG22 ILE 23 -1.617 3.925 8.817 177 HG23 ILE 23 HG23 ILE 23 -1.419 2.980 10.309 178 HD11 ILE 23 HD11 ILE 23 -1.199 -1.600 8.703 179 HD12 ILE 23 HD12 ILE 23 -2.619 -0.938 7.878 180 HD13 ILE 23 HD13 ILE 23 -0.984 -0.490 7.343 181 H ILE 24 H ILE 24 -5.174 0.349 9.646 182 HA ILE 24 HA ILE 24 -5.396 -1.338 7.258 183 HB ILE 24 HB ILE 24 -6.849 -2.755 8.811 184 HG12 ILE 24 HG12 ILE 24 -5.604 -1.031 10.994 185 HG13 ILE 24 HG13 ILE 24 -7.291 -0.892 10.482 186 HG21 ILE 24 HG21 ILE 24 -4.586 -3.332 8.199 187 HG22 ILE 24 HG22 ILE 24 -3.918 -2.202 9.401 188 HG23 ILE 24 HG23 ILE 24 -4.789 -3.666 9.917 189 HD11 ILE 24 HD11 ILE 24 -7.627 -3.301 11.113 190 HD12 ILE 24 HD12 ILE 24 -5.977 -3.305 11.789 191 HD13 ILE 24 HD13 ILE 24 -7.208 -2.232 12.464 192 H CYS 25 H CYS 25 -7.146 -1.811 6.050 193 HA CYS 25 HA CYS 25 -9.435 0.053 6.123 194 HB2 CYS 25 HB2 CYS 25 -10.080 -1.262 4.028 195 HB3 CYS 25 HB3 CYS 25 -8.697 -0.176 3.948 196 HG CYS 25 HG CYS 25 -6.858 -1.838 3.933 197 H SER 26 H SER 26 -10.791 -0.388 7.698 198 HA SER 26 HA SER 26 -12.210 -1.488 9.126 199 HB2 SER 26 HB2 SER 26 -13.084 -2.383 6.385 200 HB3 SER 26 HB3 SER 26 -14.104 -2.379 7.840 201 HG SER 26 HG SER 26 -14.142 -0.436 6.554 202 H TYR 27 H TYR 27 -10.076 -2.846 9.586 203 HA TYR 27 HA TYR 27 -9.165 -4.730 10.354 204 HB2 TYR 27 HB2 TYR 27 -11.331 -4.387 11.699 205 HB3 TYR 27 HB3 TYR 27 -11.927 -5.810 10.869 206 HD1 TYR 27 HD1 TYR 27 -9.099 -4.518 12.966 207 HD2 TYR 27 HD2 TYR 27 -11.343 -7.976 11.705 208 HE1 TYR 27 HE1 TYR 27 -7.899 -5.904 14.644 209 HE2 TYR 27 HE2 TYR 27 -10.150 -9.362 13.399 210 HH TYR 27 HH TYR 27 -7.690 -8.053 15.539 211 H CYS 28 H CYS 28 -9.534 -4.761 7.487 212 HA CYS 28 HA CYS 28 -9.843 -7.462 6.572 213 HB2 CYS 28 HB2 CYS 28 -9.988 -5.458 5.172 214 HB3 CYS 28 HB3 CYS 28 -8.302 -5.059 5.496 215 HG CYS 28 HG CYS 28 -9.438 -7.811 4.032 216 H GLY 29 H GLY 29 -7.269 -5.969 8.413 217 HA2 GLY 29 HA2 GLY 29 -5.980 -8.522 8.735 218 HA3 GLY 29 HA3 GLY 29 -4.988 -7.441 7.750 219 H ALA 30 H ALA 30 -3.517 -7.943 9.617 220 HA ALA 30 HA ALA 30 -4.063 -6.537 12.141 221 HB1 ALA 30 HB1 ALA 30 -3.115 -8.799 12.195 222 HB2 ALA 30 HB2 ALA 30 -1.711 -8.245 11.252 223 HB3 ALA 30 HB3 ALA 30 -1.990 -7.617 12.887 224 H THR 31 H THR 31 -3.350 -4.595 12.643 225 HA THR 31 HA THR 31 -2.372 -2.784 10.770 226 HB THR 31 HB THR 31 -3.657 -2.346 12.861 227 HG1 THR 31 HG1 THR 31 -2.588 -0.352 13.120 228 HG21 THR 31 HG21 THR 31 -2.146 -3.544 14.489 229 HG22 THR 31 HG22 THR 31 -0.949 -2.253 14.259 230 HG23 THR 31 HG23 THR 31 -2.544 -1.888 14.949 231 H ASP 32 H ASP 32 -0.404 -4.871 12.747 232 HA ASP 32 HA ASP 32 2.055 -3.319 12.392 233 HB2 ASP 32 HB2 ASP 32 1.488 -6.061 13.549 234 HB3 ASP 32 HB3 ASP 32 3.070 -5.294 13.553 235 H ASP 33 H ASP 33 0.424 -5.523 10.339 236 HA ASP 33 HA ASP 33 2.911 -6.141 8.799 237 HB2 ASP 33 HB2 ASP 33 2.252 -7.914 10.493 238 HB3 ASP 33 HB3 ASP 33 0.772 -8.148 9.580 239 H HIS 34 H HIS 34 -0.152 -4.844 8.540 240 HA HIS 34 HA HIS 34 -0.937 -6.066 6.029 241 HB2 HIS 34 HB2 HIS 34 -2.386 -5.118 8.002 242 HB3 HIS 34 HB3 HIS 34 -2.179 -3.574 7.182 243 HD1 HIS 34 HD1 HIS 34 -3.179 -7.177 6.068 244 HD2 HIS 34 HD2 HIS 34 -4.349 -3.151 5.808 245 HE1 HIS 34 HE1 HIS 34 -5.451 -7.161 4.929 246 H TYR 35 H TYR 35 -0.999 -5.206 3.977 247 HA TYR 35 HA TYR 35 -0.250 -2.476 3.382 248 HB2 TYR 35 HB2 TYR 35 1.988 -3.560 3.668 249 HB3 TYR 35 HB3 TYR 35 1.557 -4.739 2.441 250 HD1 TYR 35 HD1 TYR 35 1.342 -0.956 2.691 251 HD2 TYR 35 HD2 TYR 35 2.788 -4.384 0.505 252 HE1 TYR 35 HE1 TYR 35 2.266 0.547 0.948 253 HE2 TYR 35 HE2 TYR 35 3.748 -2.858 -1.222 254 HH TYR 35 HH TYR 35 3.473 0.627 -1.060 255 H SER 36 H SER 36 -0.552 -1.976 1.089 256 HA SER 36 HA SER 36 -3.013 -2.801 0.190 257 HB2 SER 36 HB2 SER 36 -0.786 -1.501 -1.408 258 HB3 SER 36 HB3 SER 36 -2.523 -1.432 -1.774 259 HG SER 36 HG SER 36 -1.829 0.340 -0.500 260 H ARG 37 H ARG 37 0.092 -4.107 -0.875 261 HA ARG 37 HA ARG 37 -1.326 -6.029 -2.662 262 HB2 ARG 37 HB2 ARG 37 0.731 -6.393 -3.839 263 HB3 ARG 37 HB3 ARG 37 0.274 -4.710 -3.820 264 HG2 ARG 37 HG2 ARG 37 2.615 -4.770 -3.584 265 HG3 ARG 37 HG3 ARG 37 1.960 -4.252 -2.041 266 HD2 ARG 37 HD2 ARG 37 3.850 -5.805 -1.755 267 HD3 ARG 37 HD3 ARG 37 2.387 -6.490 -1.086 268 HE ARG 37 HE ARG 37 2.325 -8.120 -2.768 269 HH11 ARG 37 HH11 ARG 37 4.971 -5.921 -3.493 270 HH12 ARG 37 HH12 ARG 37 5.620 -6.974 -4.731 271 HH21 ARG 37 HH21 ARG 37 3.218 -9.418 -4.328 272 HH22 ARG 37 HH22 ARG 37 4.650 -8.906 -5.185 273 H HIS 38 H HIS 38 -0.572 -6.035 0.422 274 HA HIS 38 HA HIS 38 0.168 -8.927 0.518 275 HB2 HIS 38 HB2 HIS 38 1.665 -7.191 1.619 276 HB3 HIS 38 HB3 HIS 38 0.352 -6.874 2.748 277 HD1 HIS 38 HD1 HIS 38 1.342 -7.965 4.950 278 HD2 HIS 38 HD2 HIS 38 1.745 -10.334 1.505 279 HE1 HIS 38 HE1 HIS 38 2.300 -10.166 5.716 280 H CYS 39 H CYS 39 -2.313 -6.646 1.188 281 HA CYS 39 HA CYS 39 -4.094 -7.072 2.876 282 HB2 CYS 39 HB2 CYS 39 -4.448 -7.127 -0.102 283 HB3 CYS 39 HB3 CYS 39 -5.871 -7.355 0.916 284 HG CYS 39 HG CYS 39 -3.656 -4.913 1.237 285 HA PRO 40 HA PRO 40 -6.317 -11.115 1.950 286 HB2 PRO 40 HB2 PRO 40 -5.343 -13.038 0.221 287 HB3 PRO 40 HB3 PRO 40 -6.382 -11.670 -0.268 288 HG2 PRO 40 HG2 PRO 40 -3.346 -11.822 -0.365 289 HG3 PRO 40 HG3 PRO 40 -4.473 -11.350 -1.682 290 HD2 PRO 40 HD2 PRO 40 -3.286 -9.458 -0.210 291 HD3 PRO 40 HD3 PRO 40 -5.027 -9.318 -0.591 292 H LYS 41 H LYS 41 -2.874 -11.259 2.474 293 HA LYS 41 HA LYS 41 -3.054 -13.873 3.903 294 HB2 LYS 41 HB2 LYS 41 -0.650 -12.326 2.867 295 HB3 LYS 41 HB3 LYS 41 -0.568 -13.847 3.749 296 HG2 LYS 41 HG2 LYS 41 -1.888 -13.451 1.032 297 HG3 LYS 41 HG3 LYS 41 -0.322 -14.193 1.348 298 HD2 LYS 41 HD2 LYS 41 -1.465 -15.970 2.705 299 HD3 LYS 41 HD3 LYS 41 -3.034 -15.279 2.235 300 HE2 LYS 41 HE2 LYS 41 -2.489 -15.632 -0.142 301 HE3 LYS 41 HE3 LYS 41 -0.919 -16.290 0.303 302 HZ1 LYS 41 HZ1 LYS 41 -2.107 -18.082 1.494 303 HZ2 LYS 41 HZ2 LYS 41 -3.544 -17.500 0.975 304 HZ3 LYS 41 HZ3 LYS 41 -2.473 -18.072 -0.097 305 H ALA 42 H ALA 42 -4.389 -12.230 5.271 306 HA ALA 42 HA ALA 42 -2.724 -11.743 7.684 307 HB1 ALA 42 HB1 ALA 42 -2.902 -9.591 6.582 308 HB2 ALA 42 HB2 ALA 42 -4.669 -9.715 6.535 309 HB3 ALA 42 HB3 ALA 42 -3.810 -9.597 8.100 310 H ILE 43 H ILE 43 -5.998 -10.663 7.850 311 HA ILE 43 HA ILE 43 -6.609 -12.939 9.650 312 HB ILE 43 HB ILE 43 -7.932 -10.220 9.619 313 HG12 ILE 43 HG12 ILE 43 -5.709 -11.317 11.412 314 HG13 ILE 43 HG13 ILE 43 -5.485 -10.079 10.191 315 HG21 ILE 43 HG21 ILE 43 -8.710 -10.857 11.912 316 HG22 ILE 43 HG22 ILE 43 -9.369 -11.945 10.729 317 HG23 ILE 43 HG23 ILE 43 -7.975 -12.459 11.708 318 HD11 ILE 43 HD11 ILE 43 -5.556 -8.941 12.245 319 HD12 ILE 43 HD12 ILE 43 -7.118 -8.615 11.467 320 HD13 ILE 43 HD13 ILE 43 -6.992 -9.799 12.797 321 H GLN 44 H GLN 44 -6.788 -13.009 6.698 322 HA GLN 44 HA GLN 44 -9.305 -14.503 6.728 323 HB2 GLN 44 HB2 GLN 44 -9.981 -13.860 4.505 324 HB3 GLN 44 HB3 GLN 44 -9.932 -12.466 5.592 325 HG2 GLN 44 HG2 GLN 44 -7.671 -11.879 4.581 326 HG3 GLN 44 HG3 GLN 44 -7.959 -13.155 3.388 327 HE21 GLN 44 HE22 GLN 44 -10.112 -12.884 2.067 328 HE22 GLN 44 HE21 GLN 44 -10.573 -11.231 1.711 329 H CYS 45 H CYS 45 -9.347 -16.330 5.298 330 HA CYS 45 HA CYS 45 -6.634 -17.281 4.504 331 HB2 CYS 45 HB2 CYS 45 -7.408 -19.515 4.787 332 HB3 CYS 45 HB3 CYS 45 -7.766 -18.602 6.252 333 HG CYS 45 HG CYS 45 -10.280 -18.254 5.821 334 H SER 46 H SER 46 -6.660 -18.842 2.619 335 HA SER 46 HA SER 46 -7.240 -17.408 0.310 336 HB2 SER 46 HB2 SER 46 -6.752 -20.374 0.622 337 HB3 SER 46 HB3 SER 46 -6.580 -19.448 -0.884 338 HG SER 46 HG SER 46 -4.657 -19.665 0.455 339 H LYS 47 H LYS 47 -8.662 -17.506 -1.316 340 HA LYS 47 HA LYS 47 -10.692 -17.477 -2.303 341 HB2 LYS 47 HB2 LYS 47 -11.087 -20.277 -1.200 342 HB3 LYS 47 HB3 LYS 47 -11.906 -19.571 -2.574 343 HG2 LYS 47 HG2 LYS 47 -8.932 -20.234 -2.407 344 HG3 LYS 47 HG3 LYS 47 -10.157 -21.173 -3.233 345 HD2 LYS 47 HD2 LYS 47 -9.373 -18.325 -4.002 346 HD3 LYS 47 HD3 LYS 47 -8.767 -19.801 -4.759 347 HE2 LYS 47 HE2 LYS 47 -11.082 -20.446 -5.376 348 HE3 LYS 47 HE3 LYS 47 -11.691 -18.956 -4.667 349 HZ1 LYS 47 HZ1 LYS 47 -9.809 -19.106 -6.956 350 HZ2 LYS 47 HZ2 LYS 47 -11.391 -18.741 -7.060 351 HZ3 LYS 47 HZ3 LYS 47 -10.373 -17.718 -6.302 352 H CYS 48 H CYS 48 -10.502 -16.857 0.757 353 HA CYS 48 HA CYS 48 -13.428 -16.626 1.283 354 HB2 CYS 48 HB2 CYS 48 -11.291 -17.751 3.139 355 HB3 CYS 48 HB3 CYS 48 -12.957 -17.403 3.617 356 HG CYS 48 HG CYS 48 -11.759 -19.550 1.473 357 H ASP 49 H ASP 49 -13.785 -15.344 3.348 358 HA ASP 49 HA ASP 49 -12.182 -12.828 3.251 359 HB2 ASP 49 HB2 ASP 49 -15.127 -13.299 3.763 360 HB3 ASP 49 HB3 ASP 49 -14.328 -11.737 3.866 361 H GLU 50 H GLU 50 -12.344 -15.383 5.292 362 HA GLU 50 HA GLU 50 -11.447 -13.786 7.584 363 HB2 GLU 50 HB2 GLU 50 -14.017 -14.090 7.699 364 HB3 GLU 50 HB3 GLU 50 -13.689 -15.793 8.008 365 HG2 GLU 50 HG2 GLU 50 -12.417 -15.162 10.045 366 HG3 GLU 50 HG3 GLU 50 -12.629 -13.460 9.659 367 H VAL 51 H VAL 51 -10.075 -15.045 9.022 368 HA VAL 51 HA VAL 51 -9.156 -17.690 8.101 369 HB VAL 51 HB VAL 51 -7.683 -17.639 10.120 370 HG11 VAL 51 HG11 VAL 51 -7.308 -15.188 8.393 371 HG12 VAL 51 HG12 VAL 51 -6.088 -16.147 9.257 372 HG13 VAL 51 HG13 VAL 51 -6.940 -16.863 7.891 373 HG21 VAL 51 HG21 VAL 51 -7.363 -15.614 11.387 374 HG22 VAL 51 HG22 VAL 51 -8.617 -14.759 10.470 375 HG23 VAL 51 HG23 VAL 51 -9.052 -16.110 11.545 376 H GLY 52 H GLY 52 -11.913 -17.056 9.186 377 HA2 GLY 52 HA2 GLY 52 -12.374 -18.254 11.726 378 HA3 GLY 52 HA3 GLY 52 -13.560 -17.800 10.505 379 H HIS 53 H HIS 53 -14.906 -19.467 10.501 380 HA HIS 53 HA HIS 53 -15.777 -21.557 10.332 381 HB2 HIS 53 HB2 HIS 53 -13.370 -22.535 8.836 382 HB3 HIS 53 HB3 HIS 53 -15.064 -22.944 8.602 383 HD1 HIS 53 HD1 HIS 53 -16.459 -21.235 6.982 384 HD2 HIS 53 HD2 HIS 53 -12.368 -20.459 7.523 385 HE1 HIS 53 HE1 HIS 53 -15.782 -19.610 5.147 386 H TYR 54 H TYR 54 -14.084 -24.080 10.155 387 HA TYR 54 HA TYR 54 -13.362 -24.330 13.023 388 HB2 TYR 54 HB2 TYR 54 -13.524 -26.714 12.685 389 HB3 TYR 54 HB3 TYR 54 -14.990 -25.893 12.222 390 HD1 TYR 54 HD2 TYR 54 -11.948 -27.615 10.901 391 HD2 TYR 54 HD1 TYR 54 -15.886 -26.092 10.006 392 HE1 TYR 54 HE2 TYR 54 -11.982 -28.923 8.785 393 HE2 TYR 54 HE1 TYR 54 -15.916 -27.409 7.901 394 HH TYR 54 HH TYR 54 -14.754 -28.963 6.620 395 H ARG 55 H ARG 55 -11.671 -26.021 13.348 396 HA ARG 55 HA ARG 55 -9.237 -25.243 13.582 397 HB2 ARG 55 HB2 ARG 55 -10.137 -27.440 14.224 398 HB3 ARG 55 HB3 ARG 55 -9.932 -28.027 12.575 399 HG2 ARG 55 HG2 ARG 55 -7.480 -27.826 12.779 400 HG3 ARG 55 HG3 ARG 55 -7.662 -27.075 14.373 401 HD2 ARG 55 HD2 ARG 55 -7.051 -29.402 14.642 402 HD3 ARG 55 HD3 ARG 55 -8.684 -29.130 15.247 403 HE ARG 55 HE ARG 55 -8.243 -30.190 12.476 404 HH11 ARG 55 HH21 ARG 55 -9.503 -30.858 15.692 405 HH12 ARG 55 HH22 ARG 55 -10.379 -32.270 15.146 406 HH21 ARG 55 HH11 ARG 55 -9.382 -31.980 11.858 407 HH22 ARG 55 HH12 ARG 55 -10.297 -32.893 13.031 408 H SER 56 H SER 56 -7.374 -24.830 12.721 409 HA SER 56 HA SER 56 -5.868 -24.095 11.205 410 HB2 SER 56 HB2 SER 56 -6.500 -26.733 9.874 411 HB3 SER 56 HB3 SER 56 -5.041 -25.748 9.634 412 HG SER 56 HG SER 56 -4.765 -27.278 11.301 413 H GLN 57 H GLN 57 -8.054 -22.734 10.850 414 HA GLN 57 HA GLN 57 -9.270 -21.425 9.510 415 HB2 GLN 57 HB2 GLN 57 -8.019 -20.107 7.938 416 HB3 GLN 57 HB3 GLN 57 -7.127 -20.375 9.427 417 HG2 GLN 57 HG2 GLN 57 -5.646 -21.988 8.349 418 HG3 GLN 57 HG3 GLN 57 -6.605 -21.942 6.865 419 HE21 GLN 57 HE22 GLN 57 -4.353 -21.476 5.965 420 HE22 GLN 57 HE21 GLN 57 -3.857 -19.786 5.959 421 H CYS 58 H CYS 58 -10.184 -23.842 9.051 422 HA CYS 58 HA CYS 58 -11.301 -25.243 7.783 423 HB2 CYS 58 HB2 CYS 58 -12.884 -24.369 6.422 424 HB3 CYS 58 HB3 CYS 58 -12.273 -22.862 7.120 425 HG CYS 58 HG CYS 58 -10.496 -22.502 5.202 426 HA PRO 59 HA PRO 59 -8.992 -27.623 5.015 427 HB2 PRO 59 HB2 PRO 59 -11.193 -27.680 2.951 428 HB3 PRO 59 HB3 PRO 59 -10.254 -29.036 3.648 429 HG2 PRO 59 HG2 PRO 59 -12.755 -28.516 4.532 430 HG3 PRO 59 HG3 PRO 59 -11.455 -28.893 5.711 431 HD2 PRO 59 HD2 PRO 59 -12.536 -26.179 4.912 432 HD3 PRO 59 HD3 PRO 59 -12.198 -26.820 6.549 433 H HIS 60 H HIS 60 -7.279 -26.981 3.963 434 HA HIS 60 HA HIS 60 -7.408 -25.128 1.636 435 HB2 HIS 60 HB2 HIS 60 -4.995 -24.808 2.050 436 HB3 HIS 60 HB3 HIS 60 -6.008 -24.339 3.403 437 HD1 HIS 60 HD1 HIS 60 -3.631 -27.220 2.430 438 HD2 HIS 60 HD2 HIS 60 -5.587 -25.523 5.732 439 HE1 HIS 60 HE1 HIS 60 -2.714 -28.405 4.486 440 H LYS 61 H LYS 61 -8.196 -27.943 1.614 441 HA LYS 61 HA LYS 61 -6.505 -29.049 -0.572 442 HB2 LYS 61 HB2 LYS 61 -7.485 -30.543 1.902 443 HB3 LYS 61 HB3 LYS 61 -6.814 -31.316 0.467 444 HG2 LYS 61 HG2 LYS 61 -4.651 -30.210 0.820 445 HG3 LYS 61 HG3 LYS 61 -5.299 -29.324 2.206 446 HD2 LYS 61 HD2 LYS 61 -3.989 -31.155 3.023 447 HD3 LYS 61 HD3 LYS 61 -5.688 -31.443 3.412 448 HE2 LYS 61 HE2 LYS 61 -5.855 -33.006 1.485 449 HE3 LYS 61 HE3 LYS 61 -4.171 -32.691 1.081 450 HZ1 LYS 61 HZ1 LYS 61 -3.546 -33.634 3.237 451 HZ2 LYS 61 HZ2 LYS 61 -5.110 -33.923 3.613 452 HZ3 LYS 61 HZ3 LYS 61 -4.403 -34.721 2.382 453 H TRP 62 H TRP 62 -7.625 -30.646 -1.858 454 HA TRP 62 HA TRP 62 -10.315 -29.895 -2.519 455 HB2 TRP 62 HB2 TRP 62 -8.840 -32.382 -3.415 456 HB3 TRP 62 HB3 TRP 62 -10.164 -31.566 -4.234 457 HD1 TRP 62 HD1 TRP 62 -9.577 -29.291 -5.526 458 HE1 TRP 62 HE1 TRP 62 -7.397 -28.276 -6.390 459 HE3 TRP 62 HE3 TRP 62 -6.257 -32.224 -2.971 460 HZ2 TRP 62 HZ2 TRP 62 -4.569 -28.616 -5.965 461 HZ3 TRP 62 HZ3 TRP 62 -3.818 -31.828 -3.197 462 HH2 TRP 62 HH2 TRP 62 -2.965 -30.034 -4.681 463 H LYS 63 H LYS 63 -12.278 -30.959 -2.268 464 HA LYS 63 HA LYS 63 -12.450 -32.428 0.231 465 HB2 LYS 63 HB2 LYS 63 -13.922 -30.537 -0.216 466 HB3 LYS 63 HB3 LYS 63 -14.600 -31.350 -1.622 467 HG2 LYS 63 HG2 LYS 63 -16.133 -31.454 0.266 468 HG3 LYS 63 HG3 LYS 63 -15.613 -33.069 -0.198 469 HD2 LYS 63 HD2 LYS 63 -13.964 -33.046 1.707 470 HD3 LYS 63 HD3 LYS 63 -14.579 -31.455 2.182 471 HE2 LYS 63 HE2 LYS 63 -16.712 -32.333 2.759 472 HE3 LYS 63 HE3 LYS 63 -16.450 -33.804 1.827 473 HZ1 LYS 63 HZ1 LYS 63 -14.802 -34.502 3.392 474 HZ2 LYS 63 HZ2 LYS 63 -14.952 -33.139 4.301 475 HZ3 LYS 63 HZ3 LYS 63 -16.174 -34.224 4.187 476 H LYS 64 H LYS 64 -12.766 -34.446 0.596 477 HA LYS 64 HA LYS 64 -14.207 -36.205 -1.326 478 HB2 LYS 64 HB2 LYS 64 -11.776 -36.779 -1.201 479 HB3 LYS 64 HB3 LYS 64 -11.954 -37.073 0.530 480 HG2 LYS 64 HG2 LYS 64 -13.537 -38.912 0.073 481 HG3 LYS 64 HG3 LYS 64 -13.474 -38.551 -1.666 482 HD2 LYS 64 HD2 LYS 64 -11.042 -39.073 -1.675 483 HD3 LYS 64 HD3 LYS 64 -11.122 -39.454 0.056 484 HE2 LYS 64 HE2 LYS 64 -12.779 -41.239 -0.429 485 HE3 LYS 64 HE3 LYS 64 -12.693 -40.857 -2.143 486 HZ1 LYS 64 HZ1 LYS 64 -11.263 -42.731 -1.588 487 HZ2 LYS 64 HZ2 LYS 64 -10.344 -41.491 -2.107 488 HZ3 LYS 64 HZ3 LYS 64 -10.420 -41.844 -0.511 489 H VAL 65 H VAL 65 -15.804 -37.502 -0.387 490 HA VAL 65 HA VAL 65 -16.885 -36.317 2.053 491 HB VAL 65 HB VAL 65 -18.220 -36.614 0.026 492 HG11 VAL 65 HG11 VAL 65 -19.222 -38.727 -0.565 493 HG12 VAL 65 HG12 VAL 65 -17.464 -38.899 -0.644 494 HG13 VAL 65 HG13 VAL 65 -18.358 -39.568 0.736 495 HG21 VAL 65 HG21 VAL 65 -19.401 -38.051 2.427 496 HG22 VAL 65 HG22 VAL 65 -19.252 -36.284 2.250 497 HG23 VAL 65 HG23 VAL 65 -20.268 -37.193 1.135 498 H GLN 66 H GLN 66 -17.214 -37.157 3.985 499 HA GLN 66 HA GLN 66 -15.876 -39.701 4.670 500 HB2 GLN 66 HB2 GLN 66 -15.257 -38.738 6.670 501 HB3 GLN 66 HB3 GLN 66 -15.029 -37.462 5.501 502 HG2 GLN 66 HG2 GLN 66 -17.366 -37.697 7.465 503 HG3 GLN 66 HG3 GLN 66 -15.944 -36.705 7.679 504 HE21 GLN 66 HE22 GLN 66 -18.370 -35.470 7.912 505 HE22 GLN 66 HE21 GLN 66 -18.643 -34.453 6.502 506 H CYS 67 H CYS 67 -18.994 -38.754 4.238 507 HA CYS 67 HA CYS 67 -20.229 -39.362 6.709 508 HB2 CYS 67 HB2 CYS 67 -21.437 -39.151 3.924 509 HB3 CYS 67 HB3 CYS 67 -22.290 -38.933 5.455 510 HG CYS 67 HG CYS 67 -20.884 -36.911 6.291 511 H THR 68 H THR 68 -19.111 -41.657 4.601 512 HA THR 68 HA THR 68 -19.421 -43.759 4.068 513 HB THR 68 HB THR 68 -19.029 -44.090 6.392 514 HG1 THR 68 HG1 THR 68 -19.683 -46.181 6.251 515 HG21 THR 68 HG21 THR 68 -20.883 -45.013 7.842 516 HG22 THR 68 HG22 THR 68 -20.875 -43.267 7.664 517 HG23 THR 68 HG23 THR 68 -22.049 -44.243 6.744 518 H LEU 69 H LEU 69 -22.658 -42.518 4.950 519 HA LEU 69 HA LEU 69 -23.910 -44.358 3.043 520 HB2 LEU 69 HB2 LEU 69 -25.931 -43.699 3.775 521 HB3 LEU 69 HB3 LEU 69 -24.968 -43.537 5.225 522 HG LEU 69 HG LEU 69 -25.908 -41.258 3.406 523 HD11 LEU 69 HD11 LEU 69 -27.701 -42.351 4.723 524 HD12 LEU 69 HD12 LEU 69 -26.780 -42.057 6.212 525 HD13 LEU 69 HD13 LEU 69 -27.395 -40.690 5.256 526 HD21 LEU 69 HD21 LEU 69 -25.141 -39.746 5.190 527 HD22 LEU 69 HD22 LEU 69 -24.467 -41.122 6.089 528 HD23 LEU 69 HD23 LEU 69 -23.781 -40.647 4.513 529 H CYS 70 H CYS 70 -22.040 -41.757 2.550 530 HA CYS 70 HA CYS 70 -23.486 -40.789 0.121 531 HB2 CYS 70 HB2 CYS 70 -21.344 -39.425 1.796 532 HB3 CYS 70 HB3 CYS 70 -22.126 -38.744 0.362 533 HG CYS 70 HG CYS 70 -24.614 -39.103 1.352 534 H LYS 71 H LYS 71 -21.761 -39.823 -1.440 535 HA LYS 71 HA LYS 71 -20.593 -40.322 -3.274 536 HB2 LYS 71 HB2 LYS 71 -18.684 -41.070 -1.785 537 HB3 LYS 71 HB3 LYS 71 -19.309 -42.712 -1.921 538 HG2 LYS 71 HG2 LYS 71 -17.529 -42.496 -3.453 539 HG3 LYS 71 HG3 LYS 71 -19.007 -42.605 -4.401 540 HD2 LYS 71 HD2 LYS 71 -18.948 -40.138 -4.780 541 HD3 LYS 71 HD3 LYS 71 -17.512 -40.022 -3.739 542 HE2 LYS 71 HE2 LYS 71 -16.292 -41.545 -5.277 543 HE3 LYS 71 HE3 LYS 71 -17.709 -41.641 -6.312 544 HZ1 LYS 71 HZ1 LYS 71 -16.120 -40.008 -7.130 545 HZ2 LYS 71 HZ2 LYS 71 -17.499 -39.248 -6.719 546 HZ3 LYS 71 HZ3 LYS 71 -16.186 -39.155 -5.745 547 H SER 72 H SER 72 -21.031 -41.444 -5.110 548 HA SER 72 HA SER 72 -22.813 -41.907 -6.412 549 HB2 SER 72 HB2 SER 72 -22.503 -44.297 -5.677 550 HB3 SER 72 HB3 SER 72 -23.807 -44.022 -4.501 551 HG SER 72 HG SER 72 -24.539 -44.702 -6.588 552 H LYS 73 H LYS 73 -25.461 -42.273 -5.910 553 HA LYS 73 HA LYS 73 -27.399 -41.160 -5.559 554 HB2 LYS 73 HB2 LYS 73 -26.178 -40.428 -2.885 555 HB3 LYS 73 HB3 LYS 73 -27.890 -40.355 -3.300 556 HG2 LYS 73 HG2 LYS 73 -27.983 -42.792 -3.555 557 HG3 LYS 73 HG3 LYS 73 -26.245 -42.922 -3.212 558 HD2 LYS 73 HD2 LYS 73 -26.581 -41.872 -1.003 559 HD3 LYS 73 HD3 LYS 73 -28.317 -41.762 -1.288 560 HE2 LYS 73 HE2 LYS 73 -26.735 -44.364 -1.256 561 HE3 LYS 73 HE3 LYS 73 -27.522 -43.681 0.157 562 HZ1 LYS 73 HZ1 LYS 73 -28.949 -45.306 -0.889 563 HZ2 LYS 73 HZ2 LYS 73 -29.648 -43.841 -1.006 564 HZ3 LYS 73 HZ3 LYS 73 -28.932 -44.516 -2.315 565 H LYS 74 H LYS 74 -24.657 -39.349 -5.825 566 HA LYS 74 HA LYS 74 -23.999 -37.239 -6.132 567 HB2 LYS 74 HB2 LYS 74 -25.751 -37.193 -7.889 568 HB3 LYS 74 HB3 LYS 74 -26.862 -36.450 -6.731 569 HG2 LYS 74 HG2 LYS 74 -25.314 -34.534 -6.467 570 HG3 LYS 74 HG3 LYS 74 -24.156 -35.308 -7.563 571 HD2 LYS 74 HD2 LYS 74 -25.834 -35.232 -9.391 572 HD3 LYS 74 HD3 LYS 74 -26.983 -34.432 -8.300 573 HE2 LYS 74 HE2 LYS 74 -25.413 -32.549 -8.015 574 HE3 LYS 74 HE3 LYS 74 -24.234 -33.351 -9.043 575 HZ1 LYS 74 HZ1 LYS 74 -25.795 -33.178 -10.890 576 HZ2 LYS 74 HZ2 LYS 74 -26.918 -32.460 -9.942 577 HZ3 LYS 74 HZ3 LYS 74 -25.515 -31.698 -10.273 578 H HIS 75 H HIS 75 -23.157 -36.325 -4.439 579 HA HIS 75 HA HIS 75 -24.582 -36.183 -1.933 580 HB2 HIS 75 HB2 HIS 75 -22.214 -36.824 -2.118 581 HB3 HIS 75 HB3 HIS 75 -21.816 -35.208 -2.702 582 HD1 HIS 75 HD1 HIS 75 -20.804 -33.806 -0.766 583 HD2 HIS 75 HD2 HIS 75 -23.781 -36.507 0.453 584 HE1 HIS 75 HE1 HIS 75 -21.091 -33.479 1.741 585 H SER 76 H SER 76 -25.133 -34.440 -0.651 586 HA SER 76 HA SER 76 -24.943 -31.670 -1.735 587 HB2 SER 76 HB2 SER 76 -27.223 -31.303 -0.759 588 HB3 SER 76 HB3 SER 76 -27.184 -32.378 -2.164 589 HG SER 76 HG SER 76 -28.397 -33.322 -0.544 590 H LYS 77 H LYS 77 -23.667 -30.581 -0.408 591 HA LYS 77 HA LYS 77 -22.969 -31.486 2.202 592 HB2 LYS 77 HB2 LYS 77 -21.584 -30.134 0.558 593 HB3 LYS 77 HB3 LYS 77 -22.481 -28.704 1.079 594 HG2 LYS 77 HG2 LYS 77 -21.682 -29.122 3.425 595 HG3 LYS 77 HG3 LYS 77 -20.800 -30.548 2.843 596 HD2 LYS 77 HD2 LYS 77 -19.435 -29.107 1.358 597 HD3 LYS 77 HD3 LYS 77 -20.325 -27.679 1.925 598 HE2 LYS 77 HE2 LYS 77 -19.578 -28.171 4.252 599 HE3 LYS 77 HE3 LYS 77 -18.666 -29.554 3.662 600 HZ1 LYS 77 HZ1 LYS 77 -18.165 -26.732 2.896 601 HZ2 LYS 77 HZ2 LYS 77 -17.245 -27.614 3.908 602 HZ3 LYS 77 HZ3 LYS 77 -17.322 -28.011 2.329 603 H GLU 78 H GLU 78 -23.460 -30.802 4.233 604 HA GLU 78 HA GLU 78 -24.820 -30.333 5.947 605 HB2 GLU 78 HB2 GLU 78 -25.597 -27.797 4.496 606 HB3 GLU 78 HB3 GLU 78 -25.707 -28.113 6.220 607 HG2 GLU 78 HG2 GLU 78 -23.152 -27.826 4.599 608 HG3 GLU 78 HG3 GLU 78 -23.826 -26.672 5.721 609 H ARG 79 H ARG 79 -26.137 -31.562 3.372 610 HA ARG 79 HA ARG 79 -28.964 -31.499 4.396 611 HB2 ARG 79 HB2 ARG 79 -27.888 -31.221 1.572 612 HB3 ARG 79 HB3 ARG 79 -29.545 -31.726 1.883 613 HG2 ARG 79 HG2 ARG 79 -30.202 -29.681 2.760 614 HG3 ARG 79 HG3 ARG 79 -28.568 -29.174 3.188 615 HD2 ARG 79 HD2 ARG 79 -29.532 -29.484 0.320 616 HD3 ARG 79 HD3 ARG 79 -29.569 -27.964 1.230 617 HE ARG 79 HE ARG 79 -26.955 -28.867 1.486 618 HH11 ARG 79 HH11 ARG 79 -28.884 -27.905 -1.280 619 HH12 ARG 79 HH12 ARG 79 -27.466 -27.378 -2.169 620 HH21 ARG 79 HH22 ARG 79 -25.291 -28.180 0.393 621 HH22 ARG 79 HH21 ARG 79 -25.435 -27.503 -1.219 622 H CYS 80 H CYS 80 -26.746 -33.314 2.317 623 HA CYS 80 HA CYS 80 -26.447 -35.398 1.759 624 HB2 CYS 80 HB2 CYS 80 -27.800 -36.133 4.370 625 HB3 CYS 80 HB3 CYS 80 -26.935 -37.266 3.323 626 HG CYS 80 HG CYS 80 -25.743 -34.490 4.664 627 HA PRO 81 HA PRO 81 -29.899 -36.317 -0.718 628 HB2 PRO 81 HB2 PRO 81 -29.236 -38.710 -1.880 629 HB3 PRO 81 HB3 PRO 81 -28.386 -37.176 -2.224 630 HG2 PRO 81 HG2 PRO 81 -27.572 -39.358 -0.278 631 HG3 PRO 81 HG3 PRO 81 -26.561 -38.545 -1.517 632 HD2 PRO 81 HD2 PRO 81 -26.524 -37.763 1.078 633 HD3 PRO 81 HD3 PRO 81 -26.424 -36.568 -0.250 634 H SER 82 H SER 82 -29.081 -38.802 1.643 635 HA SER 82 HA SER 82 -31.385 -40.435 1.172 636 HB2 SER 82 HB2 SER 82 -29.367 -40.506 3.424 637 HB3 SER 82 HB3 SER 82 -30.440 -41.828 2.919 638 HG SER 82 HG SER 82 -28.334 -41.886 1.949 639 H ILE 83 H ILE 83 -31.420 -37.564 2.782 640 HA ILE 83 HA ILE 83 -33.720 -38.343 4.484 641 HB ILE 83 HB ILE 83 -32.976 -36.850 6.278 642 HG12 ILE 83 HG12 ILE 83 -30.277 -36.740 4.861 643 HG13 ILE 83 HG13 ILE 83 -31.435 -35.411 4.952 644 HG21 ILE 83 HG21 ILE 83 -32.603 -39.320 6.324 645 HG22 ILE 83 HG22 ILE 83 -30.941 -39.049 5.761 646 HG23 ILE 83 HG23 ILE 83 -31.476 -38.413 7.329 647 HD11 ILE 83 HD11 ILE 83 -29.727 -35.069 6.629 648 HD12 ILE 83 HD12 ILE 83 -31.254 -35.450 7.448 649 HD13 ILE 83 HD13 ILE 83 -29.977 -36.684 7.304 650 H TRP 84 H TRP 84 -34.974 -36.431 5.242 651 HA TRP 84 HA TRP 84 -35.336 -34.545 2.950 652 HB2 TRP 84 HB2 TRP 84 -37.498 -35.834 4.629 653 HB3 TRP 84 HB3 TRP 84 -37.709 -34.850 3.187 654 HD1 TRP 84 HD1 TRP 84 -37.148 -35.992 0.832 655 HE1 TRP 84 HE1 TRP 84 -36.972 -38.425 0.068 656 HE3 TRP 84 HE3 TRP 84 -36.828 -38.254 5.408 657 HZ2 TRP 84 HZ2 TRP 84 -36.632 -41.021 1.268 658 HZ3 TRP 84 HZ3 TRP 84 -36.538 -40.715 5.562 659 HH2 TRP 84 HH2 TRP 84 -36.434 -42.100 3.510 660 H ARG 85 H ARG 85 -36.481 -32.597 3.348 661 HA ARG 85 HA ARG 85 -36.348 -31.443 6.099 662 HB2 ARG 85 HB2 ARG 85 -35.105 -30.337 3.546 663 HB3 ARG 85 HB3 ARG 85 -35.435 -29.342 4.955 664 HG2 ARG 85 HG2 ARG 85 -33.928 -30.722 6.337 665 HG3 ARG 85 HG3 ARG 85 -33.539 -31.725 4.923 666 HD2 ARG 85 HD2 ARG 85 -32.593 -29.842 3.744 667 HD3 ARG 85 HD3 ARG 85 -33.174 -28.700 4.936 668 HE ARG 85 HE ARG 85 -30.779 -30.398 5.125 669 HH11 ARG 85 HH21 ARG 85 -32.993 -28.450 7.049 670 HH12 ARG 85 HH22 ARG 85 -31.742 -28.026 8.200 671 HH21 ARG 85 HH11 ARG 85 -29.212 -29.640 6.573 672 HH22 ARG 85 HH12 ARG 85 -29.701 -28.738 7.973 673 H ALA 86 H ALA 86 -37.555 -29.590 6.421 674 HA ALA 86 HA ALA 86 -39.213 -28.105 6.326 675 HB1 ALA 86 HB1 ALA 86 -37.464 -27.243 4.832 676 HB2 ALA 86 HB2 ALA 86 -38.314 -27.942 3.436 677 HB3 ALA 86 HB3 ALA 86 -39.069 -26.649 4.386 678 H TYR 87 H TYR 87 -40.207 -30.954 5.085 679 HA TYR 87 HA TYR 87 -42.470 -30.107 3.532 680 HB2 TYR 87 HB2 TYR 87 -43.188 -32.403 3.610 681 HB3 TYR 87 HB3 TYR 87 -41.490 -32.273 3.208 682 HD1 TYR 87 HD1 TYR 87 -43.939 -33.365 5.744 683 HD2 TYR 87 HD2 TYR 87 -39.753 -33.155 4.720 684 HE1 TYR 87 HE1 TYR 87 -43.409 -34.983 7.560 685 HE2 TYR 87 HE2 TYR 87 -39.228 -34.762 6.545 686 HH TYR 87 HH TYR 87 -40.145 -36.062 8.265 687 H ILE 88 H ILE 88 -44.454 -29.533 4.027 688 HA ILE 88 HA ILE 88 -45.563 -29.972 6.765 689 HB ILE 88 HB ILE 88 -46.576 -27.745 6.721 690 HG12 ILE 88 HG12 ILE 88 -44.844 -27.175 4.276 691 HG13 ILE 88 HG13 ILE 88 -46.593 -27.407 4.247 692 HG21 ILE 88 HG21 ILE 88 -43.556 -27.551 6.449 693 HG22 ILE 88 HG22 ILE 88 -44.631 -26.524 7.421 694 HG23 ILE 88 HG23 ILE 88 -44.399 -28.215 7.864 695 HD11 ILE 88 HD11 ILE 88 -46.126 -25.047 4.189 696 HD12 ILE 88 HD12 ILE 88 -46.855 -25.429 5.761 697 HD13 ILE 88 HD13 ILE 88 -45.102 -25.141 5.629 698 H LEU 89 H LEU 89 -46.003 -30.728 3.601 699 HA LEU 89 HA LEU 89 -48.957 -30.580 3.580 700 HB2 LEU 89 HB2 LEU 89 -47.449 -30.060 1.608 701 HB3 LEU 89 HB3 LEU 89 -47.091 -31.775 1.503 702 HG LEU 89 HG LEU 89 -49.844 -30.476 1.224 703 HD11 LEU 89 HD11 LEU 89 -49.603 -31.018 -1.166 704 HD12 LEU 89 HD12 LEU 89 -48.291 -29.962 -0.628 705 HD13 LEU 89 HD13 LEU 89 -47.985 -31.695 -0.863 706 HD21 LEU 89 HD21 LEU 89 -50.523 -32.695 0.253 707 HD22 LEU 89 HD22 LEU 89 -48.991 -33.374 0.827 708 HD23 LEU 89 HD23 LEU 89 -50.206 -32.758 1.985 709 H VAL 90 H VAL 90 -49.946 -32.044 4.796 710 HA VAL 90 HA VAL 90 -48.856 -34.821 5.050 711 HB VAL 90 HB VAL 90 -49.651 -34.813 7.369 712 HG11 VAL 90 HG11 VAL 90 -47.313 -34.215 6.814 713 HG12 VAL 90 HG12 VAL 90 -47.764 -32.496 6.801 714 HG13 VAL 90 HG13 VAL 90 -47.892 -33.440 8.297 715 HG21 VAL 90 HG21 VAL 90 -51.432 -33.069 7.187 716 HG22 VAL 90 HG22 VAL 90 -50.295 -32.761 8.506 717 HG23 VAL 90 HG23 VAL 90 -50.172 -31.827 7.006 718 H ASP 91 H ASP 91 -51.349 -33.411 3.545 719 HA ASP 91 HA ASP 91 -53.578 -35.051 4.393 720 HB2 ASP 91 HB2 ASP 91 -53.759 -32.869 3.215 721 HB3 ASP 91 HB3 ASP 91 -53.086 -33.609 1.768 722 H ASP 92 H ASP 92 -50.838 -35.696 2.376 723 HA ASP 92 HA ASP 92 -51.912 -38.398 1.690 724 HB2 ASP 92 HB2 ASP 92 -51.610 -37.041 -0.337 725 HB3 ASP 92 HB3 ASP 92 -49.937 -36.724 0.108 726 H ASN 93 H ASN 93 -50.585 -40.144 2.087 727 HA ASN 93 HA ASN 93 -47.960 -39.757 3.379 728 HB2 ASN 93 HB2 ASN 93 -49.757 -39.650 5.159 729 HB3 ASN 93 HB3 ASN 93 -50.250 -41.279 4.695 730 HD21 ASN 93 HD22 ASN 93 -49.776 -42.008 6.875 731 HD22 ASN 93 HD21 ASN 93 -48.102 -42.220 7.379 732 H GLU 94 H GLU 94 -46.724 -41.700 3.546 733 HA GLU 94 HA GLU 94 -47.541 -44.034 1.912 734 HB2 GLU 94 HB2 GLU 94 -46.350 -42.476 0.415 735 HB3 GLU 94 HB3 GLU 94 -44.967 -42.455 1.513 736 HG2 GLU 94 HG2 GLU 94 -44.566 -44.843 1.103 737 HG3 GLU 94 HG3 GLU 94 -46.033 -44.952 0.137 738 H LYS 95 H LYS 95 -46.645 -45.949 2.536 739 HA LYS 95 HA LYS 95 -44.645 -46.041 4.721 740 HB2 LYS 95 HB2 LYS 95 -45.893 -47.740 5.920 741 HB3 LYS 95 HB3 LYS 95 -46.809 -46.244 5.824 742 HG2 LYS 95 HG2 LYS 95 -48.219 -47.186 4.026 743 HG3 LYS 95 HG3 LYS 95 -47.270 -48.686 4.048 744 HD2 LYS 95 HD2 LYS 95 -47.910 -49.042 6.423 745 HD3 LYS 95 HD3 LYS 95 -48.926 -47.600 6.375 746 HE2 LYS 95 HE2 LYS 95 -49.249 -50.023 4.551 747 HE3 LYS 95 HE3 LYS 95 -50.117 -49.812 6.062 748 HZ1 LYS 95 HZ1 LYS 95 -51.117 -47.792 5.152 749 HZ2 LYS 95 HZ2 LYS 95 -50.332 -47.992 3.729 750 HZ3 LYS 95 HZ3 LYS 95 -51.454 -49.070 4.205 751 H ALA 96 H ALA 96 -43.547 -48.031 4.951 752 HA ALA 96 HA ALA 96 -42.926 -49.398 2.442 753 HB1 ALA 96 HB1 ALA 96 -41.215 -48.798 4.130 754 HB2 ALA 96 HB2 ALA 96 -41.991 -49.887 5.300 755 HB3 ALA 96 HB3 ALA 96 -41.246 -50.537 3.826 756 H LYS 97 H LYS 97 -42.604 -51.958 2.859 757 HA LYS 97 HA LYS 97 -45.176 -53.239 2.927 758 HB2 LYS 97 HB2 LYS 97 -42.303 -54.219 3.006 759 HB3 LYS 97 HB3 LYS 97 -43.615 -55.336 3.308 760 HG2 LYS 97 HG2 LYS 97 -43.025 -55.505 1.015 761 HG3 LYS 97 HG3 LYS 97 -44.643 -54.815 1.136 762 HD2 LYS 97 HD2 LYS 97 -43.764 -52.575 0.594 763 HD3 LYS 97 HD3 LYS 97 -42.107 -53.188 0.682 764 HE2 LYS 97 HE2 LYS 97 -42.677 -52.996 -1.623 765 HE3 LYS 97 HE3 LYS 97 -42.570 -54.704 -1.230 766 HZ1 LYS 97 HZ1 LYS 97 -45.101 -53.164 -1.468 767 HZ2 LYS 97 HZ2 LYS 97 -44.524 -54.203 -2.580 768 HZ3 LYS 97 HZ3 LYS 97 -45.007 -54.765 -1.131 769 HA PRO 98 HA PRO 98 -46.209 -53.499 7.096 770 HB2 PRO 98 HB2 PRO 98 -47.332 -56.006 7.440 771 HB3 PRO 98 HB3 PRO 98 -48.111 -54.641 6.589 772 HG2 PRO 98 HG2 PRO 98 -46.517 -56.921 5.381 773 HG3 PRO 98 HG3 PRO 98 -48.120 -56.297 4.870 774 HD2 PRO 98 HD2 PRO 98 -45.880 -55.524 3.594 775 HD3 PRO 98 HD3 PRO 98 -47.152 -54.321 3.961 776 H LYS 99 H LYS 99 -45.640 -54.145 9.153 777 HA LYS 99 HA LYS 99 -42.899 -54.887 9.357 778 HB2 LYS 99 HB2 LYS 99 -43.106 -54.411 11.719 779 HB3 LYS 99 HB3 LYS 99 -43.896 -53.169 10.757 780 HG2 LYS 99 HG2 LYS 99 -46.103 -54.029 11.321 781 HG3 LYS 99 HG3 LYS 99 -45.412 -55.477 12.058 782 HD2 LYS 99 HD2 LYS 99 -46.138 -53.959 13.786 783 HD3 LYS 99 HD3 LYS 99 -44.381 -54.137 13.835 784 HE2 LYS 99 HE2 LYS 99 -44.128 -51.972 12.648 785 HE3 LYS 99 HE3 LYS 99 -45.880 -51.809 12.564 786 HZ1 LYS 99 HZ1 LYS 99 -44.300 -51.905 15.075 787 HZ2 LYS 99 HZ2 LYS 99 -44.965 -50.566 14.431 788 HZ3 LYS 99 HZ3 LYS 99 -45.925 -51.752 14.998 789 H VAL 100 H VAL 100 -41.925 -56.291 10.828 790 HA VAL 100 HA VAL 100 -43.281 -58.878 11.437 791 HB VAL 100 HB VAL 100 -40.407 -58.516 10.493 792 HG11 VAL 100 HG11 VAL 100 -41.909 -61.046 11.306 793 HG12 VAL 100 HG12 VAL 100 -40.324 -61.004 10.511 794 HG13 VAL 100 HG13 VAL 100 -40.492 -60.339 12.129 795 HG21 VAL 100 HG21 VAL 100 -42.787 -59.897 9.174 796 HG22 VAL 100 HG22 VAL 100 -41.996 -58.411 8.608 797 HG23 VAL 100 HG23 VAL 100 -41.115 -59.938 8.577 798 H LEU 101 H LEU 101 -42.556 -59.840 13.444 799 HA LEU 101 HA LEU 101 -42.467 -57.979 15.540 800 HB2 LEU 101 HB2 LEU 101 -41.668 -60.916 15.546 801 HB3 LEU 101 HB3 LEU 101 -41.952 -59.964 16.993 802 HG LEU 101 HG LEU 101 -44.057 -60.593 14.878 803 HD11 LEU 101 HD11 LEU 101 -45.007 -62.056 16.619 804 HD12 LEU 101 HD12 LEU 101 -43.367 -62.564 16.185 805 HD13 LEU 101 HD13 LEU 101 -43.646 -61.675 17.697 806 HD21 LEU 101 HD21 LEU 101 -44.577 -58.463 15.997 807 HD22 LEU 101 HD22 LEU 101 -45.656 -59.732 16.583 808 HD23 LEU 101 HD23 LEU 101 -44.289 -59.208 17.589 809 HA PRO 102 HA PRO 102 -38.157 -56.955 15.841 810 HB2 PRO 102 HB2 PRO 102 -38.050 -55.674 18.235 811 HB3 PRO 102 HB3 PRO 102 -38.969 -55.027 16.846 812 HG2 PRO 102 HG2 PRO 102 -40.033 -56.660 19.173 813 HG3 PRO 102 HG3 PRO 102 -40.667 -55.110 18.531 814 HD2 PRO 102 HD2 PRO 102 -41.706 -57.526 17.786 815 HD3 PRO 102 HD3 PRO 102 -41.588 -56.159 16.640 816 H PHE 103 H PHE 103 -39.586 -59.229 18.020 817 HA PHE 103 HA PHE 103 -36.935 -60.051 19.121 818 HB2 PHE 103 HB2 PHE 103 -39.699 -60.666 20.190 819 HB3 PHE 103 HB3 PHE 103 -38.165 -61.090 20.935 820 HD1 PHE 103 HD2 PHE 103 -36.506 -58.936 21.267 821 HD2 PHE 103 HD1 PHE 103 -40.814 -58.809 21.099 822 HE1 PHE 103 HE2 PHE 103 -36.497 -56.781 22.494 823 HE2 PHE 103 HE1 PHE 103 -40.792 -56.656 22.327 824 HZ PHE 103 HZ PHE 103 -38.636 -55.637 23.021 825 H HIS 104 H HIS 104 -36.378 -62.251 19.201 826 HA HIS 104 HA HIS 104 -37.204 -63.668 16.780 827 HB2 HIS 104 HB2 HIS 104 -35.010 -64.272 18.780 828 HB3 HIS 104 HB3 HIS 104 -35.228 -65.053 17.217 829 HD1 HIS 104 HD1 HIS 104 -33.240 -62.366 18.644 830 HD2 HIS 104 HD2 HIS 104 -35.332 -63.010 15.061 831 HE1 HIS 104 HE1 HIS 104 -32.299 -60.714 16.964 832 H THR 105 H THR 105 -37.618 -65.947 16.660 833 HA THR 105 HA THR 105 -39.472 -66.872 18.785 834 HB THR 105 HB THR 105 -39.027 -67.932 15.974 835 HG1 THR 105 HG1 THR 105 -40.080 -65.945 16.082 836 HG21 THR 105 HG21 THR 105 -39.992 -69.738 17.360 837 HG22 THR 105 HG22 THR 105 -41.196 -68.583 18.013 838 HG23 THR 105 HG23 THR 105 -41.222 -69.040 16.301 839 H ILE 106 H ILE 106 -39.314 -68.794 19.860 840 HA ILE 106 HA ILE 106 -36.654 -69.916 20.268 841 HB ILE 106 HB ILE 106 -39.364 -70.542 21.483 842 HG12 ILE 106 HG12 ILE 106 -36.943 -69.039 22.585 843 HG13 ILE 106 HG13 ILE 106 -38.415 -68.283 21.988 844 HG21 ILE 106 HG21 ILE 106 -36.627 -71.590 22.330 845 HG22 ILE 106 HG22 ILE 106 -38.159 -71.846 23.198 846 HG23 ILE 106 HG23 ILE 106 -37.945 -72.559 21.616 847 HD11 ILE 106 HD11 ILE 106 -38.546 -68.278 24.355 848 HD12 ILE 106 HD12 ILE 106 -39.716 -69.479 23.778 849 HD13 ILE 106 HD13 ILE 106 -38.159 -69.997 24.477 850 H TYR 107 H TYR 107 -35.863 -71.866 19.658 851 HA TYR 107 HA TYR 107 -37.427 -73.459 17.678 852 HB2 TYR 107 HB2 TYR 107 -35.280 -74.045 16.698 853 HB3 TYR 107 HB3 TYR 107 -35.535 -72.312 16.723 854 HD1 TYR 107 HD2 TYR 107 -33.608 -75.095 18.303 855 HD2 TYR 107 HD1 TYR 107 -34.114 -70.822 17.975 856 HE1 TYR 107 HE2 TYR 107 -31.438 -74.753 19.447 857 HE2 TYR 107 HE1 TYR 107 -31.941 -70.485 19.142 858 HH TYR 107 HH TYR 107 -29.926 -73.142 20.235 859 H CYS 108 H CYS 108 -37.493 -75.634 17.774 860 HA CYS 108 HA CYS 108 -36.447 -77.008 20.207 861 HB2 CYS 108 HB2 CYS 108 -38.950 -76.261 19.946 862 HB3 CYS 108 HB3 CYS 108 -39.074 -77.658 18.864 863 HG CYS 108 HG CYS 108 -37.906 -79.267 20.641 864 H TYR 109 H TYR 109 -35.535 -77.024 17.162 865 HA TYR 109 HA TYR 109 -36.337 -79.462 16.021 866 HB2 TYR 109 HB2 TYR 109 -34.784 -79.020 14.297 867 HB3 TYR 109 HB3 TYR 109 -35.387 -77.469 14.832 868 HD1 TYR 109 HD2 TYR 109 -32.456 -79.725 14.736 869 HD2 TYR 109 HD1 TYR 109 -33.905 -75.843 15.934 870 HE1 TYR 109 HE2 TYR 109 -30.123 -78.986 15.148 871 HE2 TYR 109 HE1 TYR 109 -31.559 -75.111 16.355 872 HH TYR 109 HH TYR 109 -28.787 -77.202 15.854 873 H ASN 110 H ASN 110 -33.971 -79.126 18.488 874 HA ASN 110 HA ASN 110 -32.105 -81.121 17.790 875 HB2 ASN 110 HB2 ASN 110 -32.945 -80.072 20.526 876 HB3 ASN 110 HB3 ASN 110 -31.468 -80.973 20.196 877 HD21 ASN 110 HD21 ASN 110 -29.792 -79.949 18.838 878 HD22 ASN 110 HD22 ASN 110 -29.801 -78.194 18.670 879 H CYS 111 H CYS 111 -35.314 -81.611 19.086 880 HA CYS 111 HA CYS 111 -34.774 -84.526 19.433 881 HB2 CYS 111 HB2 CYS 111 -36.769 -84.577 20.804 882 HB3 CYS 111 HB3 CYS 111 -35.663 -83.334 21.407 883 HG CYS 111 HG CYS 111 -38.241 -82.930 19.383 884 H GLY 112 H GLY 112 -35.503 -82.721 16.919 885 HA2 GLY 112 HA2 GLY 112 -36.562 -83.167 14.894 886 HA3 GLY 112 HA3 GLY 112 -37.473 -84.494 15.609 887 H GLY 113 H GLY 113 -38.054 -81.812 14.104 888 HA2 GLY 113 HA2 GLY 113 -39.965 -80.506 13.894 889 HA3 GLY 113 HA3 GLY 113 -40.589 -81.141 15.408 890 H LYS 114 H LYS 114 -39.341 -78.430 13.905 891 HA LYS 114 HA LYS 114 -37.813 -77.216 15.990 892 HB2 LYS 114 HB2 LYS 114 -37.773 -75.258 14.598 893 HB3 LYS 114 HB3 LYS 114 -37.555 -76.698 13.608 894 HG2 LYS 114 HG2 LYS 114 -40.014 -76.591 13.009 895 HG3 LYS 114 HG3 LYS 114 -40.123 -75.063 13.886 896 HD2 LYS 114 HD2 LYS 114 -38.309 -75.597 11.494 897 HD3 LYS 114 HD3 LYS 114 -39.888 -74.806 11.427 898 HE2 LYS 114 HE2 LYS 114 -39.048 -73.018 12.942 899 HE3 LYS 114 HE3 LYS 114 -37.459 -73.776 12.950 900 HZ1 LYS 114 HZ1 LYS 114 -37.352 -73.416 10.541 901 HZ2 LYS 114 HZ2 LYS 114 -38.822 -72.704 10.543 902 HZ3 LYS 114 HZ3 LYS 114 -37.573 -71.998 11.311 903 H GLY 115 H GLY 115 -41.172 -77.547 15.922 904 HA2 GLY 115 HA2 GLY 115 -41.422 -76.427 18.506 905 HA3 GLY 115 HA3 GLY 115 -42.055 -75.239 17.369 906 H HIS 116 H HIS 116 -43.026 -77.651 19.345 907 HA HIS 116 HA HIS 116 -45.570 -78.047 17.846 908 HB2 HIS 116 HB2 HIS 116 -45.538 -80.471 18.308 909 HB3 HIS 116 HB3 HIS 116 -44.269 -79.962 17.204 910 HD1 HIS 116 HD1 HIS 116 -44.685 -81.400 20.738 911 HD2 HIS 116 HD2 HIS 116 -41.714 -80.263 17.993 912 HE1 HIS 116 HE1 HIS 116 -42.491 -82.297 21.645 913 H PHE 117 H PHE 117 -43.901 -78.802 20.902 914 HA PHE 117 HA PHE 117 -46.093 -77.445 22.361 915 HB2 PHE 117 HB2 PHE 117 -46.194 -79.994 22.538 916 HB3 PHE 117 HB3 PHE 117 -44.687 -79.911 23.434 917 HD1 PHE 117 HD2 PHE 117 -48.112 -78.322 23.351 918 HD2 PHE 117 HD1 PHE 117 -44.902 -79.833 25.801 919 HE1 PHE 117 HE2 PHE 117 -49.465 -77.901 25.385 920 HE2 PHE 117 HE1 PHE 117 -46.276 -79.435 27.831 921 HZ PHE 117 HZ PHE 117 -48.551 -78.461 27.626 922 H GLY 118 H GLY 118 -43.879 -76.310 21.267 923 HA2 GLY 118 HA2 GLY 118 -41.423 -76.281 22.568 924 HA3 GLY 118 HA3 GLY 118 -42.084 -74.967 21.593 925 H ASP 119 H ASP 119 -44.342 -74.732 23.654 926 HA ASP 119 HA ASP 119 -43.418 -72.676 25.366 927 HB2 ASP 119 HB2 ASP 119 -45.777 -73.179 24.713 928 HB3 ASP 119 HB3 ASP 119 -45.720 -74.643 25.683 929 H ASP 120 H ASP 120 -43.525 -76.185 25.863 930 HA ASP 120 HA ASP 120 -42.170 -75.931 28.526 931 HB2 ASP 120 HB2 ASP 120 -44.592 -76.509 28.661 932 HB3 ASP 120 HB3 ASP 120 -44.286 -77.928 27.667 933 H CYS 121 H CYS 121 -42.305 -77.659 25.449 934 HA CYS 121 HA CYS 121 -40.617 -79.842 26.234 935 HB2 CYS 121 HB2 CYS 121 -42.398 -79.744 24.406 936 HB3 CYS 121 HB3 CYS 121 -41.215 -78.872 23.417 937 HG CYS 121 HG CYS 121 -39.342 -80.755 23.880 938 H LYS 122 H LYS 122 -39.771 -76.606 25.600 939 HA LYS 122 HA LYS 122 -37.290 -76.938 24.230 940 HB2 LYS 122 HB2 LYS 122 -38.585 -74.822 24.325 941 HB3 LYS 122 HB3 LYS 122 -38.266 -74.690 26.049 942 HG2 LYS 122 HG2 LYS 122 -36.841 -73.174 24.793 943 HG3 LYS 122 HG3 LYS 122 -35.860 -74.383 25.606 944 HD2 LYS 122 HD2 LYS 122 -35.807 -75.684 23.400 945 HD3 LYS 122 HD3 LYS 122 -36.626 -74.314 22.651 946 HE2 LYS 122 HE2 LYS 122 -34.755 -72.851 23.073 947 HE3 LYS 122 HE3 LYS 122 -34.041 -73.993 24.220 948 HZ1 LYS 122 HZ1 LYS 122 -32.914 -74.115 22.063 949 HZ2 LYS 122 HZ2 LYS 122 -33.681 -75.516 22.430 950 HZ3 LYS 122 HZ3 LYS 122 -34.341 -74.528 21.338 951 H GLU 123 H GLU 123 -35.150 -76.839 24.922 952 HA GLU 123 HA GLU 123 -34.446 -78.316 27.265 953 HB2 GLU 123 HB2 GLU 123 -32.691 -76.560 25.496 954 HB3 GLU 123 HB3 GLU 123 -32.135 -77.721 26.686 955 HG2 GLU 123 HG2 GLU 123 -31.887 -78.821 24.648 956 HG3 GLU 123 HG3 GLU 123 -33.285 -79.551 25.415 957 H LYS 124 H LYS 124 -33.132 -77.690 29.051 958 HA LYS 124 HA LYS 124 -33.110 -74.834 29.866 959 HB2 LYS 124 HB2 LYS 124 -35.098 -75.968 30.877 960 HB3 LYS 124 HB3 LYS 124 -34.009 -77.117 31.665 961 HG2 LYS 124 HG2 LYS 124 -32.929 -75.242 32.895 962 HG3 LYS 124 HG3 LYS 124 -33.943 -74.086 32.027 963 HD2 LYS 124 HD2 LYS 124 -34.812 -74.406 34.252 964 HD3 LYS 124 HD3 LYS 124 -35.967 -75.051 33.078 965 HE2 LYS 124 HE2 LYS 124 -35.153 -77.344 33.530 966 HE3 LYS 124 HE3 LYS 124 -33.948 -76.710 34.647 967 HZ1 LYS 124 HZ1 LYS 124 -35.761 -75.902 36.050 968 HZ2 LYS 124 HZ2 LYS 124 -36.883 -76.478 35.011 969 HZ3 LYS 124 HZ3 LYS 124 -35.912 -77.508 35.820 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -18.916 8.450 -0.159 2 H2 LYS 1 H2 LYS 1 -20.087 7.656 -0.971 3 H3 LYS 1 H3 LYS 1 -20.480 8.610 0.299 4 HA LYS 1 HA LYS 1 -19.308 9.520 -2.250 5 HB2 LYS 1 HB2 LYS 1 -21.657 8.761 -2.475 6 HB3 LYS 1 HB3 LYS 1 -22.159 9.957 -1.282 7 HG2 LYS 1 HG2 LYS 1 -21.310 11.774 -2.781 8 HG3 LYS 1 HG3 LYS 1 -20.805 10.546 -3.955 9 HD2 LYS 1 HD2 LYS 1 -23.148 9.808 -4.217 10 HD3 LYS 1 HD3 LYS 1 -23.668 10.991 -3.001 11 HE2 LYS 1 HE2 LYS 1 -22.813 12.829 -4.424 12 HE3 LYS 1 HE3 LYS 1 -22.291 11.661 -5.634 13 HZ1 LYS 1 HZ1 LYS 1 -25.105 12.087 -4.794 14 HZ2 LYS 1 HZ2 LYS 1 -24.449 12.615 -6.189 15 HZ3 LYS 1 HZ3 LYS 1 -24.617 11.016 -5.928 16 H GLU 2 H GLU 2 -21.220 11.027 0.422 17 HA GLU 2 HA GLU 2 -19.088 13.111 0.693 18 HB2 GLU 2 HB2 GLU 2 -22.099 13.359 0.993 19 HB3 GLU 2 HB3 GLU 2 -20.939 14.575 1.540 20 HG2 GLU 2 HG2 GLU 2 -20.069 14.817 -0.758 21 HG3 GLU 2 HG3 GLU 2 -21.214 13.614 -1.335 22 H ALA 3 H ALA 3 -18.638 13.881 2.818 23 HA ALA 3 HA ALA 3 -18.600 11.599 4.634 24 HB1 ALA 3 HB1 ALA 3 -16.811 12.765 5.726 25 HB2 ALA 3 HB2 ALA 3 -16.556 12.804 3.973 26 HB3 ALA 3 HB3 ALA 3 -17.149 14.254 4.810 27 H ALA 4 H ALA 4 -20.338 11.315 5.892 28 HA ALA 4 HA ALA 4 -21.580 13.406 7.478 29 HB1 ALA 4 HB1 ALA 4 -22.619 11.476 8.666 30 HB2 ALA 4 HB2 ALA 4 -22.863 11.463 6.911 31 HB3 ALA 4 HB3 ALA 4 -21.686 10.366 7.644 32 HA PRO 5 HA PRO 5 -18.743 12.028 11.036 33 HB2 PRO 5 HB2 PRO 5 -16.727 10.230 10.766 34 HB3 PRO 5 HB3 PRO 5 -18.431 9.735 10.979 35 HG2 PRO 5 HG2 PRO 5 -16.932 10.038 8.340 36 HG3 PRO 5 HG3 PRO 5 -17.840 8.603 8.935 37 HD2 PRO 5 HD2 PRO 5 -18.956 10.391 7.278 38 HD3 PRO 5 HD3 PRO 5 -19.894 9.703 8.644 39 H LYS 6 H LYS 6 -17.116 12.356 7.940 40 HA LYS 6 HA LYS 6 -15.300 13.424 7.126 41 HB2 LYS 6 HB2 LYS 6 -16.614 15.321 7.703 42 HB3 LYS 6 HB3 LYS 6 -16.015 15.347 9.348 43 HG2 LYS 6 HG2 LYS 6 -15.081 17.109 7.954 44 HG3 LYS 6 HG3 LYS 6 -13.830 16.076 8.637 45 HD2 LYS 6 HD2 LYS 6 -13.398 15.012 6.541 46 HD3 LYS 6 HD3 LYS 6 -14.867 15.652 5.799 47 HE2 LYS 6 HE2 LYS 6 -12.578 17.399 6.792 48 HE3 LYS 6 HE3 LYS 6 -12.669 16.774 5.151 49 HZ1 LYS 6 HZ1 LYS 6 -13.600 18.998 5.273 50 HZ2 LYS 6 HZ2 LYS 6 -14.775 17.951 4.867 51 HZ3 LYS 6 HZ3 LYS 6 -14.703 18.552 6.383 52 H CYS 7 H CYS 7 -14.635 13.625 10.618 53 HA CYS 7 HA CYS 7 -12.215 12.011 10.454 54 HB2 CYS 7 HB2 CYS 7 -11.536 14.325 9.653 55 HB3 CYS 7 HB3 CYS 7 -11.948 14.917 11.286 56 HG CYS 7 HG CYS 7 -9.857 12.540 10.395 57 H ASN 8 H ASN 8 -11.268 11.762 12.735 58 HA ASN 8 HA ASN 8 -13.412 11.561 14.675 59 HB2 ASN 8 HB2 ASN 8 -11.969 10.389 16.022 60 HB3 ASN 8 HB3 ASN 8 -11.370 9.979 14.419 61 HD21 ASN 8 HD22 ASN 8 -9.932 9.734 16.917 62 HD22 ASN 8 HD21 ASN 8 -8.526 10.780 16.736 63 H ASN 9 H ASN 9 -10.896 13.928 14.112 64 HA ASN 9 HA ASN 9 -12.245 15.908 15.793 65 HB2 ASN 9 HB2 ASN 9 -10.902 14.663 17.469 66 HB3 ASN 9 HB3 ASN 9 -9.448 14.892 16.502 67 HD21 ASN 9 HD22 ASN 9 -11.917 16.584 18.460 68 HD22 ASN 9 HD21 ASN 9 -10.911 18.000 18.751 69 H CYS 10 H CYS 10 -9.137 15.217 14.091 70 HA CYS 10 HA CYS 10 -8.825 18.029 13.371 71 HB2 CYS 10 HB2 CYS 10 -6.570 17.218 12.620 72 HB3 CYS 10 HB3 CYS 10 -6.948 17.019 14.335 73 HG CYS 10 HG CYS 10 -5.560 14.972 13.420 74 H SER 11 H SER 11 -10.814 17.755 12.105 75 HA SER 11 HA SER 11 -11.595 16.491 9.958 76 HB2 SER 11 HB2 SER 11 -11.741 19.462 10.418 77 HB3 SER 11 HB3 SER 11 -12.794 18.538 9.315 78 HG SER 11 HG SER 11 -13.568 18.705 11.519 79 H GLN 12 H GLN 12 -9.941 15.690 8.748 80 HA GLN 12 HA GLN 12 -9.791 17.165 6.201 81 HB2 GLN 12 HB2 GLN 12 -7.480 15.645 7.480 82 HB3 GLN 12 HB3 GLN 12 -7.554 16.098 5.771 83 HG2 GLN 12 HG2 GLN 12 -7.800 18.513 6.484 84 HG3 GLN 12 HG3 GLN 12 -7.514 18.007 8.151 85 HE21 GLN 12 HE22 GLN 12 -5.360 17.076 8.688 86 HE22 GLN 12 HE21 GLN 12 -3.994 17.487 7.652 87 H ARG 13 H ARG 13 -10.126 15.834 4.424 88 HA ARG 13 HA ARG 13 -11.884 13.637 5.062 89 HB2 ARG 13 HB2 ARG 13 -12.550 13.695 2.750 90 HB3 ARG 13 HB3 ARG 13 -12.462 15.304 3.415 91 HG2 ARG 13 HG2 ARG 13 -11.463 15.760 1.449 92 HG3 ARG 13 HG3 ARG 13 -10.000 15.270 2.304 93 HD2 ARG 13 HD2 ARG 13 -10.205 12.995 1.314 94 HD3 ARG 13 HD3 ARG 13 -11.721 13.485 0.537 95 HE ARG 13 HE ARG 13 -9.494 15.229 -0.152 96 HH11 ARG 13 HH11 ARG 13 -11.011 12.193 -1.077 97 HH12 ARG 13 HH12 ARG 13 -10.393 12.286 -2.712 98 HH21 ARG 13 HH21 ARG 13 -8.746 15.279 -2.237 99 HH22 ARG 13 HH22 ARG 13 -9.137 13.988 -3.345 100 H GLY 14 H GLY 14 -12.007 11.608 4.046 101 HA2 GLY 14 HA2 GLY 14 -11.158 9.641 3.098 102 HA3 GLY 14 HA3 GLY 14 -9.528 10.305 3.120 103 H HIS 15 H HIS 15 -9.878 11.009 6.113 104 HA HIS 15 HA HIS 15 -9.961 8.265 7.252 105 HB2 HIS 15 HB2 HIS 15 -8.099 8.573 8.622 106 HB3 HIS 15 HB3 HIS 15 -7.660 8.851 6.956 107 HD1 HIS 15 HD1 HIS 15 -6.419 11.117 6.441 108 HD2 HIS 15 HD2 HIS 15 -8.055 10.769 10.291 109 HE1 HIS 15 HE1 HIS 15 -5.394 12.981 7.834 110 H LEU 16 H LEU 16 -12.086 8.684 7.550 111 HA LEU 16 HA LEU 16 -13.209 10.558 9.395 112 HB2 LEU 16 HB2 LEU 16 -15.174 9.120 9.254 113 HB3 LEU 16 HB3 LEU 16 -14.489 9.545 7.695 114 HG LEU 16 HG LEU 16 -13.347 7.173 7.782 115 HD11 LEU 16 HD11 LEU 16 -14.796 5.525 8.999 116 HD12 LEU 16 HD12 LEU 16 -13.862 6.550 10.089 117 HD13 LEU 16 HD13 LEU 16 -15.604 6.868 9.821 118 HD21 LEU 16 HD21 LEU 16 -15.321 6.164 6.773 119 HD22 LEU 16 HD22 LEU 16 -16.355 7.457 7.425 120 HD23 LEU 16 HD23 LEU 16 -15.107 7.822 6.208 121 H LYS 17 H LYS 17 -14.619 9.480 11.281 122 HA LYS 17 HA LYS 17 -13.225 9.460 13.535 123 HB2 LYS 17 HB2 LYS 17 -15.793 9.189 13.016 124 HB3 LYS 17 HB3 LYS 17 -15.542 7.509 13.413 125 HG2 LYS 17 HG2 LYS 17 -14.925 9.924 15.173 126 HG3 LYS 17 HG3 LYS 17 -16.351 8.917 15.297 127 HD2 LYS 17 HD2 LYS 17 -13.492 8.038 15.887 128 HD3 LYS 17 HD3 LYS 17 -14.710 8.446 17.070 129 HE2 LYS 17 HE2 LYS 17 -14.899 6.101 15.126 130 HE3 LYS 17 HE3 LYS 17 -14.383 6.009 16.799 131 HZ1 LYS 17 HZ1 LYS 17 -16.584 6.832 17.464 132 HZ2 LYS 17 HZ2 LYS 17 -17.090 6.830 15.910 133 HZ3 LYS 17 HZ3 LYS 17 -16.696 5.435 16.648 134 H LYS 18 H LYS 18 -14.202 6.214 12.363 135 HA LYS 18 HA LYS 18 -12.277 4.838 14.043 136 HB2 LYS 18 HB2 LYS 18 -13.150 2.812 13.038 137 HB3 LYS 18 HB3 LYS 18 -14.468 3.874 13.518 138 HG2 LYS 18 HG2 LYS 18 -14.876 4.547 11.233 139 HG3 LYS 18 HG3 LYS 18 -13.389 3.746 10.668 140 HD2 LYS 18 HD2 LYS 18 -14.367 1.541 11.312 141 HD3 LYS 18 HD3 LYS 18 -15.838 2.370 11.828 142 HE2 LYS 18 HE2 LYS 18 -16.269 1.510 9.651 143 HE3 LYS 18 HE3 LYS 18 -16.123 3.255 9.502 144 HZ1 LYS 18 HZ1 LYS 18 -13.965 1.318 8.839 145 HZ2 LYS 18 HZ2 LYS 18 -14.915 2.077 7.744 146 HZ3 LYS 18 HZ3 LYS 18 -13.878 2.931 8.644 147 H ASP 19 H ASP 19 -11.884 6.244 10.970 148 HA ASP 19 HA ASP 19 -9.719 4.397 10.118 149 HB2 ASP 19 HB2 ASP 19 -11.391 6.510 8.754 150 HB3 ASP 19 HB3 ASP 19 -9.864 5.998 8.063 151 H CYS 20 H CYS 20 -10.046 7.429 11.736 152 HA CYS 20 HA CYS 20 -7.670 8.688 10.927 153 HB2 CYS 20 HB2 CYS 20 -9.556 9.736 12.174 154 HB3 CYS 20 HB3 CYS 20 -9.074 8.846 13.630 155 HG CYS 20 HG CYS 20 -8.295 11.372 13.818 156 HA PRO 21 HA PRO 21 -4.674 6.016 12.400 157 HB2 PRO 21 HB2 PRO 21 -2.714 8.250 12.710 158 HB3 PRO 21 HB3 PRO 21 -2.651 6.829 11.626 159 HG2 PRO 21 HG2 PRO 21 -3.243 9.286 10.636 160 HG3 PRO 21 HG3 PRO 21 -4.185 7.854 10.088 161 HD2 PRO 21 HD2 PRO 21 -4.877 9.793 12.312 162 HD3 PRO 21 HD3 PRO 21 -5.849 9.367 10.882 163 H HIS 22 H HIS 22 -2.810 5.511 13.919 164 HA HIS 22 HA HIS 22 -3.630 5.653 16.651 165 HB2 HIS 22 HB2 HIS 22 -0.898 4.921 15.543 166 HB3 HIS 22 HB3 HIS 22 -1.522 4.527 17.139 167 HD1 HIS 22 HD1 HIS 22 -3.941 2.907 16.940 168 HD2 HIS 22 HD2 HIS 22 -1.124 2.992 13.825 169 HE1 HIS 22 HE1 HIS 22 -4.362 0.831 15.544 170 H ILE 23 H ILE 23 -2.638 6.570 18.438 171 HA ILE 23 HA ILE 23 -2.043 9.336 18.148 172 HB ILE 23 HB ILE 23 -3.374 8.385 19.932 173 HG12 ILE 23 HG12 ILE 23 -0.927 9.795 21.061 174 HG13 ILE 23 HG13 ILE 23 -2.243 10.584 20.181 175 HG21 ILE 23 HG21 ILE 23 -2.027 6.277 20.329 176 HG22 ILE 23 HG22 ILE 23 -0.838 7.267 21.202 177 HG23 ILE 23 HG23 ILE 23 -2.503 7.123 21.790 178 HD11 ILE 23 HD11 ILE 23 -2.601 10.898 22.542 179 HD12 ILE 23 HD12 ILE 23 -3.847 9.787 21.939 180 HD13 ILE 23 HD13 ILE 23 -2.459 9.164 22.864 181 H ILE 24 H ILE 24 0.094 6.611 18.798 182 HA ILE 24 HA ILE 24 2.291 6.331 19.187 183 HB ILE 24 HB ILE 24 2.550 8.744 17.387 184 HG12 ILE 24 HG12 ILE 24 2.947 5.792 16.741 185 HG13 ILE 24 HG13 ILE 24 1.400 6.600 16.525 186 HG21 ILE 24 HG21 ILE 24 4.894 7.980 16.986 187 HG22 ILE 24 HG22 ILE 24 4.667 8.468 18.652 188 HG23 ILE 24 HG23 ILE 24 4.701 6.738 18.239 189 HD11 ILE 24 HD11 ILE 24 3.963 7.350 15.066 190 HD12 ILE 24 HD12 ILE 24 2.550 6.509 14.411 191 HD13 ILE 24 HD13 ILE 24 2.400 8.193 14.937 192 H CYS 25 H CYS 25 2.253 9.853 19.324 193 HA CYS 25 HA CYS 25 2.407 10.079 22.188 194 HB2 CYS 25 HB2 CYS 25 4.754 9.516 21.809 195 HB3 CYS 25 HB3 CYS 25 4.879 10.715 20.514 196 HG CYS 25 HG CYS 25 4.232 11.236 23.738 197 H SER 26 H SER 26 0.432 11.149 21.535 198 HA SER 26 HA SER 26 -0.932 12.757 20.655 199 HB2 SER 26 HB2 SER 26 1.308 14.448 21.763 200 HB3 SER 26 HB3 SER 26 -0.340 15.016 21.404 201 HG SER 26 HG SER 26 -0.108 14.219 23.556 202 H TYR 27 H TYR 27 0.054 11.644 18.601 203 HA TYR 27 HA TYR 27 0.372 11.698 16.436 204 HB2 TYR 27 HB2 TYR 27 -1.599 13.291 16.725 205 HB3 TYR 27 HB3 TYR 27 -0.484 14.586 16.335 206 HD1 TYR 27 HD1 TYR 27 -1.968 11.381 15.101 207 HD2 TYR 27 HD2 TYR 27 0.134 14.992 14.048 208 HE1 TYR 27 HE1 TYR 27 -2.316 10.873 12.693 209 HE2 TYR 27 HE2 TYR 27 -0.206 14.483 11.632 210 HH TYR 27 HH TYR 27 -1.912 11.612 10.515 211 H CYS 28 H CYS 28 2.635 11.897 17.859 212 HA CYS 28 HA CYS 28 4.494 13.447 16.095 213 HB2 CYS 28 HB2 CYS 28 4.880 12.135 18.814 214 HB3 CYS 28 HB3 CYS 28 6.209 12.745 17.841 215 HG CYS 28 HG CYS 28 3.680 14.241 19.220 216 H GLY 29 H GLY 29 6.558 12.272 15.644 217 HA2 GLY 29 HA2 GLY 29 7.907 10.517 15.108 218 HA3 GLY 29 HA3 GLY 29 6.871 9.575 16.173 219 H ALA 30 H ALA 30 7.880 8.037 14.589 220 HA ALA 30 HA ALA 30 5.874 7.382 12.465 221 HB1 ALA 30 HB1 ALA 30 8.099 8.018 11.547 222 HB2 ALA 30 HB2 ALA 30 8.859 6.765 12.559 223 HB3 ALA 30 HB3 ALA 30 7.741 6.302 11.265 224 H THR 31 H THR 31 6.451 6.647 15.487 225 HA THR 31 HA THR 31 6.936 5.064 16.903 226 HB THR 31 HB THR 31 4.839 4.035 16.251 227 HG1 THR 31 HG1 THR 31 5.423 2.250 17.416 228 HG21 THR 31 HG21 THR 31 4.962 3.021 14.136 229 HG22 THR 31 HG22 THR 31 6.551 2.286 14.453 230 HG23 THR 31 HG23 THR 31 5.086 1.663 15.245 231 H ASP 32 H ASP 32 8.259 3.273 17.483 232 HA ASP 32 HA ASP 32 10.341 2.613 17.897 233 HB2 ASP 32 HB2 ASP 32 9.800 1.036 16.115 234 HB3 ASP 32 HB3 ASP 32 10.509 2.112 14.918 235 H ASP 33 H ASP 33 10.600 4.681 15.015 236 HA ASP 33 HA ASP 33 13.069 5.959 16.032 237 HB2 ASP 33 HB2 ASP 33 13.049 5.065 13.734 238 HB3 ASP 33 HB3 ASP 33 11.707 6.129 13.327 239 H HIS 34 H HIS 34 11.604 6.763 17.765 240 HA HIS 34 HA HIS 34 10.892 9.561 17.217 241 HB2 HIS 34 HB2 HIS 34 8.747 8.577 16.890 242 HB3 HIS 34 HB3 HIS 34 8.950 7.473 18.248 243 HD1 HIS 34 HD1 HIS 34 8.342 8.364 20.645 244 HD2 HIS 34 HD2 HIS 34 8.314 11.277 17.620 245 HE1 HIS 34 HE1 HIS 34 7.398 10.475 21.694 246 H TYR 35 H TYR 35 11.360 10.885 18.883 247 HA TYR 35 HA TYR 35 11.609 9.937 21.617 248 HB2 TYR 35 HB2 TYR 35 13.867 9.464 20.567 249 HB3 TYR 35 HB3 TYR 35 14.025 11.185 20.253 250 HD1 TYR 35 HD1 TYR 35 13.213 8.855 23.117 251 HD2 TYR 35 HD2 TYR 35 15.298 12.395 21.805 252 HE1 TYR 35 HE1 TYR 35 14.144 9.148 25.400 253 HE2 TYR 35 HE2 TYR 35 16.218 12.692 24.104 254 HH TYR 35 HH TYR 35 15.503 10.496 26.744 255 H SER 36 H SER 36 11.863 11.731 23.116 256 HA SER 36 HA SER 36 9.954 13.759 22.709 257 HB2 SER 36 HB2 SER 36 10.808 14.563 24.904 258 HB3 SER 36 HB3 SER 36 10.531 12.809 24.865 259 HG SER 36 HG SER 36 12.600 13.317 25.691 260 H ARG 37 H ARG 37 13.433 13.845 22.138 261 HA ARG 37 HA ARG 37 13.722 16.730 21.961 262 HB2 ARG 37 HB2 ARG 37 15.572 15.109 22.422 263 HB3 ARG 37 HB3 ARG 37 15.466 14.542 20.754 264 HG2 ARG 37 HG2 ARG 37 16.111 16.778 19.931 265 HG3 ARG 37 HG3 ARG 37 16.104 17.406 21.593 266 HD2 ARG 37 HD2 ARG 37 17.933 15.855 22.182 267 HD3 ARG 37 HD3 ARG 37 17.914 15.198 20.538 268 HE ARG 37 HE ARG 37 18.284 18.036 20.420 269 HH11 ARG 37 HH11 ARG 37 20.123 15.179 21.324 270 HH12 ARG 37 HH12 ARG 37 21.654 15.930 20.925 271 HH21 ARG 37 HH21 ARG 37 20.265 18.928 19.935 272 HH22 ARG 37 HH22 ARG 37 21.724 18.001 20.164 273 H HIS 38 H HIS 38 12.529 14.340 19.736 274 HA HIS 38 HA HIS 38 12.857 16.173 17.406 275 HB2 HIS 38 HB2 HIS 38 14.050 13.957 17.493 276 HB3 HIS 38 HB3 HIS 38 12.482 13.161 17.445 277 HD1 HIS 38 HD1 HIS 38 11.495 12.840 15.008 278 HD2 HIS 38 HD2 HIS 38 14.684 15.555 15.297 279 HE1 HIS 38 HE1 HIS 38 12.109 13.477 12.624 280 H CYS 39 H CYS 39 10.446 14.206 19.075 281 HA CYS 39 HA CYS 39 8.246 13.810 18.671 282 HB2 CYS 39 HB2 CYS 39 8.651 16.673 19.437 283 HB3 CYS 39 HB3 CYS 39 7.027 15.945 19.366 284 HG CYS 39 HG CYS 39 7.906 15.908 21.819 285 HA PRO 40 HA PRO 40 5.666 15.402 15.467 286 HB2 PRO 40 HB2 PRO 40 5.476 17.925 14.487 287 HB3 PRO 40 HB3 PRO 40 4.984 17.520 16.159 288 HG2 PRO 40 HG2 PRO 40 7.673 18.631 15.254 289 HG3 PRO 40 HG3 PRO 40 6.574 19.303 16.504 290 HD2 PRO 40 HD2 PRO 40 8.604 17.669 17.207 291 HD3 PRO 40 HD3 PRO 40 6.993 17.539 17.975 292 H LYS 41 H LYS 41 8.946 16.257 14.716 293 HA LYS 41 HA LYS 41 8.575 17.064 12.017 294 HB2 LYS 41 HB2 LYS 41 11.094 16.259 13.517 295 HB3 LYS 41 HB3 LYS 41 11.070 17.029 11.925 296 HG2 LYS 41 HG2 LYS 41 9.703 18.915 12.972 297 HG3 LYS 41 HG3 LYS 41 10.087 18.216 14.548 298 HD2 LYS 41 HD2 LYS 41 12.091 19.221 12.482 299 HD3 LYS 41 HD3 LYS 41 11.591 20.072 13.947 300 HE2 LYS 41 HE2 LYS 41 12.511 18.234 15.334 301 HE3 LYS 41 HE3 LYS 41 13.021 17.385 13.877 302 HZ1 LYS 41 HZ1 LYS 41 14.479 19.263 13.362 303 HZ2 LYS 41 HZ2 LYS 41 14.008 20.058 14.709 304 HZ3 LYS 41 HZ3 LYS 41 14.848 18.666 14.832 305 H ALA 42 H ALA 42 8.269 13.974 13.027 306 HA ALA 42 HA ALA 42 9.486 12.549 10.795 307 HB1 ALA 42 HB1 ALA 42 7.430 11.772 12.897 308 HB2 ALA 42 HB2 ALA 42 8.285 10.639 11.827 309 HB3 ALA 42 HB3 ALA 42 9.193 11.571 13.034 310 H ILE 43 H ILE 43 6.444 14.224 11.195 311 HA ILE 43 HA ILE 43 5.153 12.724 8.955 312 HB ILE 43 HB ILE 43 3.875 14.227 11.251 313 HG12 ILE 43 HG12 ILE 43 3.673 11.227 10.889 314 HG13 ILE 43 HG13 ILE 43 5.098 11.866 11.680 315 HG21 ILE 43 HG21 ILE 43 1.773 13.051 10.475 316 HG22 ILE 43 HG22 ILE 43 2.363 14.214 9.302 317 HG23 ILE 43 HG23 ILE 43 2.656 12.482 9.050 318 HD11 ILE 43 HD11 ILE 43 3.353 11.233 13.301 319 HD12 ILE 43 HD12 ILE 43 3.790 12.948 13.400 320 HD13 ILE 43 HD13 ILE 43 2.265 12.458 12.625 321 H GLN 44 H GLN 44 6.672 14.168 7.735 322 HA GLN 44 HA GLN 44 5.239 16.208 6.333 323 HB2 GLN 44 HB2 GLN 44 6.746 18.106 6.796 324 HB3 GLN 44 HB3 GLN 44 5.792 17.663 8.201 325 HG2 GLN 44 HG2 GLN 44 7.731 16.460 9.172 326 HG3 GLN 44 HG3 GLN 44 8.701 16.855 7.751 327 HE21 GLN 44 HE22 GLN 44 9.982 17.644 9.808 328 HE22 GLN 44 HE21 GLN 44 9.756 19.359 10.163 329 H CYS 45 H CYS 45 6.503 17.088 4.542 330 HA CYS 45 HA CYS 45 9.161 15.894 4.019 331 HB2 CYS 45 HB2 CYS 45 6.853 16.042 2.029 332 HB3 CYS 45 HB3 CYS 45 8.530 15.664 1.610 333 HG CYS 45 HG CYS 45 8.677 13.623 3.377 334 H SER 46 H SER 46 10.181 17.135 2.122 335 HA SER 46 HA SER 46 10.401 19.927 2.854 336 HB2 SER 46 HB2 SER 46 12.164 19.805 1.036 337 HB3 SER 46 HB3 SER 46 12.349 18.603 2.332 338 HG SER 46 HG SER 46 12.447 17.630 0.267 339 H LYS 47 H LYS 47 9.331 18.209 -0.112 340 HA LYS 47 HA LYS 47 8.640 20.716 -1.453 341 HB2 LYS 47 HB2 LYS 47 9.711 18.628 -2.493 342 HB3 LYS 47 HB3 LYS 47 8.103 17.928 -2.541 343 HG2 LYS 47 HG2 LYS 47 8.567 20.705 -3.678 344 HG3 LYS 47 HG3 LYS 47 9.209 19.340 -4.556 345 HD2 LYS 47 HD2 LYS 47 6.249 19.558 -3.859 346 HD3 LYS 47 HD3 LYS 47 6.985 20.183 -5.339 347 HE2 LYS 47 HE2 LYS 47 7.881 17.909 -5.834 348 HE3 LYS 47 HE3 LYS 47 7.024 17.275 -4.433 349 HZ1 LYS 47 HZ1 LYS 47 5.711 18.612 -6.735 350 HZ2 LYS 47 HZ2 LYS 47 5.785 17.004 -6.547 351 HZ3 LYS 47 HZ3 LYS 47 4.931 17.904 -5.497 352 H CYS 48 H CYS 48 6.879 18.248 0.281 353 HA CYS 48 HA CYS 48 4.441 19.933 0.070 354 HB2 CYS 48 HB2 CYS 48 3.091 17.808 0.181 355 HB3 CYS 48 HB3 CYS 48 3.898 18.147 -1.351 356 HG CYS 48 HG CYS 48 3.942 15.571 -0.831 357 H ASP 49 H ASP 49 3.700 20.611 1.916 358 HA ASP 49 HA ASP 49 5.222 20.004 4.291 359 HB2 ASP 49 HB2 ASP 49 4.112 21.981 5.194 360 HB3 ASP 49 HB3 ASP 49 4.874 22.277 3.645 361 H GLU 50 H GLU 50 4.489 19.532 6.322 362 HA GLU 50 HA GLU 50 3.420 18.435 7.948 363 HB2 GLU 50 HB2 GLU 50 0.844 19.385 6.681 364 HB3 GLU 50 HB3 GLU 50 1.121 18.943 8.367 365 HG2 GLU 50 HG2 GLU 50 2.780 20.820 8.535 366 HG3 GLU 50 HG3 GLU 50 2.290 21.352 6.932 367 H VAL 51 H VAL 51 3.496 16.900 5.141 368 HA VAL 51 HA VAL 51 2.099 14.502 6.241 369 HB VAL 51 HB VAL 51 1.396 13.892 3.957 370 HG11 VAL 51 HG11 VAL 51 0.290 16.580 4.869 371 HG12 VAL 51 HG12 VAL 51 -0.560 15.355 3.912 372 HG13 VAL 51 HG13 VAL 51 -0.119 15.018 5.599 373 HG21 VAL 51 HG21 VAL 51 2.951 15.314 2.604 374 HG22 VAL 51 HG22 VAL 51 1.255 15.532 2.167 375 HG23 VAL 51 HG23 VAL 51 2.082 16.758 3.150 376 H GLY 52 H GLY 52 3.081 12.570 6.074 377 HA2 GLY 52 HA2 GLY 52 5.804 12.390 4.876 378 HA3 GLY 52 HA3 GLY 52 5.073 11.248 5.997 379 H HIS 53 H HIS 53 6.308 10.464 3.546 380 HA HIS 53 HA HIS 53 4.335 10.170 1.467 381 HB2 HIS 53 HB2 HIS 53 7.138 9.095 1.804 382 HB3 HIS 53 HB3 HIS 53 6.118 8.677 0.431 383 HD1 HIS 53 HD1 HIS 53 8.727 11.026 0.996 384 HD2 HIS 53 HD2 HIS 53 4.867 11.179 -0.645 385 HE1 HIS 53 HE1 HIS 53 8.673 13.063 -0.526 386 H TYR 54 H TYR 54 2.648 9.261 2.617 387 HA TYR 54 HA TYR 54 2.507 6.327 2.189 388 HB2 TYR 54 HB2 TYR 54 1.323 7.869 4.535 389 HB3 TYR 54 HB3 TYR 54 0.939 6.204 4.135 390 HD1 TYR 54 HD1 TYR 54 2.719 4.431 4.174 391 HD2 TYR 54 HD2 TYR 54 3.330 8.377 5.803 392 HE1 TYR 54 HE1 TYR 54 4.668 3.593 5.480 393 HE2 TYR 54 HE2 TYR 54 5.279 7.538 7.107 394 HH TYR 54 HH TYR 54 6.580 5.648 7.585 395 H ARG 55 H ARG 55 0.325 5.584 1.731 396 HA ARG 55 HA ARG 55 -1.263 7.288 0.018 397 HB2 ARG 55 HB2 ARG 55 -1.762 4.569 1.290 398 HB3 ARG 55 HB3 ARG 55 -3.033 5.442 0.457 399 HG2 ARG 55 HG2 ARG 55 -2.183 4.014 -1.179 400 HG3 ARG 55 HG3 ARG 55 -1.582 5.610 -1.580 401 HD2 ARG 55 HD2 ARG 55 0.152 4.060 -1.985 402 HD3 ARG 55 HD3 ARG 55 0.642 4.974 -0.562 403 HE ARG 55 HE ARG 55 -0.598 2.786 0.549 404 HH11 ARG 55 HH11 ARG 55 1.912 2.945 -1.909 405 HH12 ARG 55 HH12 ARG 55 2.523 1.354 -1.508 406 HH21 ARG 55 HH21 ARG 55 0.241 0.785 1.015 407 HH22 ARG 55 HH22 ARG 55 1.598 0.171 0.107 408 H SER 56 H SER 56 -3.307 8.126 0.358 409 HA SER 56 HA SER 56 -4.601 9.708 1.300 410 HB2 SER 56 HB2 SER 56 -4.455 7.977 3.767 411 HB3 SER 56 HB3 SER 56 -5.680 9.207 3.410 412 HG SER 56 HG SER 56 -6.222 7.056 2.697 413 H GLN 57 H GLN 57 -1.443 9.600 2.421 414 HA GLN 57 HA GLN 57 -1.764 12.200 3.854 415 HB2 GLN 57 HB2 GLN 57 0.625 10.334 3.677 416 HB3 GLN 57 HB3 GLN 57 0.574 11.892 4.517 417 HG2 GLN 57 HG2 GLN 57 -1.293 10.974 5.961 418 HG3 GLN 57 HG3 GLN 57 -1.050 9.407 5.191 419 HE21 GLN 57 HE22 GLN 57 -0.495 8.452 7.283 420 HE22 GLN 57 HE21 GLN 57 1.070 8.803 8.011 421 H CYS 58 H CYS 58 0.266 10.725 1.276 422 HA CYS 58 HA CYS 58 0.719 13.416 0.114 423 HB2 CYS 58 HB2 CYS 58 2.311 10.851 0.083 424 HB3 CYS 58 HB3 CYS 58 2.654 12.180 -1.032 425 HG CYS 58 HG CYS 58 2.641 12.186 2.247 426 HA PRO 59 HA PRO 59 -1.121 10.698 -3.532 427 HB2 PRO 59 HB2 PRO 59 -3.821 11.753 -2.665 428 HB3 PRO 59 HB3 PRO 59 -3.447 10.305 -3.649 429 HG2 PRO 59 HG2 PRO 59 -3.982 10.039 -1.024 430 HG3 PRO 59 HG3 PRO 59 -2.607 9.139 -1.742 431 HD2 PRO 59 HD2 PRO 59 -2.545 11.668 -0.098 432 HD3 PRO 59 HD3 PRO 59 -1.462 10.236 -0.071 433 H HIS 60 H HIS 60 -1.696 13.936 -2.285 434 HA HIS 60 HA HIS 60 -2.396 15.146 -4.835 435 HB2 HIS 60 HB2 HIS 60 -2.364 17.228 -3.537 436 HB3 HIS 60 HB3 HIS 60 -3.311 15.971 -2.757 437 HD1 HIS 60 HD1 HIS 60 -2.636 15.421 -0.272 438 HD2 HIS 60 HD2 HIS 60 0.196 17.668 -2.411 439 HE1 HIS 60 HE1 HIS 60 -0.851 16.086 1.396 440 H LYS 61 H LYS 61 0.608 14.091 -3.792 441 HA LYS 61 HA LYS 61 2.485 16.048 -3.982 442 HB2 LYS 61 HB2 LYS 61 2.841 13.617 -3.495 443 HB3 LYS 61 HB3 LYS 61 2.679 13.267 -5.215 444 HG2 LYS 61 HG2 LYS 61 4.711 14.903 -5.519 445 HG3 LYS 61 HG3 LYS 61 4.904 14.740 -3.772 446 HD2 LYS 61 HD2 LYS 61 4.986 12.519 -5.861 447 HD3 LYS 61 HD3 LYS 61 6.364 13.213 -5.004 448 HE2 LYS 61 HE2 LYS 61 5.371 12.401 -2.851 449 HE3 LYS 61 HE3 LYS 61 4.098 11.601 -3.767 450 HZ1 LYS 61 HZ1 LYS 61 6.997 11.013 -3.993 451 HZ2 LYS 61 HZ2 LYS 61 5.894 10.055 -3.277 452 HZ3 LYS 61 HZ3 LYS 61 5.838 10.288 -4.889 453 H TRP 62 H TRP 62 1.069 14.471 -6.827 454 HA TRP 62 HA TRP 62 3.114 15.324 -8.584 455 HB2 TRP 62 HB2 TRP 62 1.870 14.188 -10.288 456 HB3 TRP 62 HB3 TRP 62 1.923 13.253 -8.816 457 HD1 TRP 62 HD1 TRP 62 -0.837 15.466 -8.079 458 HE1 TRP 62 HE1 TRP 62 -3.084 14.482 -8.742 459 HE3 TRP 62 HE3 TRP 62 0.786 11.672 -11.116 460 HZ2 TRP 62 HZ2 TRP 62 -4.093 12.338 -10.365 461 HZ3 TRP 62 HZ3 TRP 62 -0.863 10.161 -12.198 462 HH2 TRP 62 HH2 TRP 62 -3.294 10.487 -11.836 463 H LYS 63 H LYS 63 0.492 17.270 -7.619 464 HA LYS 63 HA LYS 63 0.172 18.590 -10.224 465 HB2 LYS 63 HB2 LYS 63 -1.676 19.709 -9.309 466 HB3 LYS 63 HB3 LYS 63 -1.746 18.042 -8.760 467 HG2 LYS 63 HG2 LYS 63 -0.777 18.799 -6.539 468 HG3 LYS 63 HG3 LYS 63 -0.864 20.467 -7.129 469 HD2 LYS 63 HD2 LYS 63 -3.313 20.228 -7.467 470 HD3 LYS 63 HD3 LYS 63 -3.233 18.565 -6.851 471 HE2 LYS 63 HE2 LYS 63 -2.351 19.420 -4.694 472 HE3 LYS 63 HE3 LYS 63 -2.439 21.066 -5.307 473 HZ1 LYS 63 HZ1 LYS 63 -4.848 20.808 -5.508 474 HZ2 LYS 63 HZ2 LYS 63 -4.779 19.275 -4.950 475 HZ3 LYS 63 HZ3 LYS 63 -4.387 20.521 -3.974 476 H LYS 64 H LYS 64 2.327 19.083 -7.704 477 HA LYS 64 HA LYS 64 2.711 21.973 -8.379 478 HB2 LYS 64 HB2 LYS 64 2.122 21.370 -6.006 479 HB3 LYS 64 HB3 LYS 64 3.623 20.465 -5.901 480 HG2 LYS 64 HG2 LYS 64 3.987 22.576 -4.880 481 HG3 LYS 64 HG3 LYS 64 4.879 22.612 -6.401 482 HD2 LYS 64 HD2 LYS 64 3.099 23.980 -7.440 483 HD3 LYS 64 HD3 LYS 64 2.104 23.817 -5.976 484 HE2 LYS 64 HE2 LYS 64 3.891 24.961 -4.670 485 HE3 LYS 64 HE3 LYS 64 4.825 25.173 -6.147 486 HZ1 LYS 64 HZ1 LYS 64 2.993 26.526 -7.026 487 HZ2 LYS 64 HZ2 LYS 64 2.133 26.323 -5.650 488 HZ3 LYS 64 HZ3 LYS 64 3.531 27.152 -5.621 489 H VAL 65 H VAL 65 4.209 22.281 -9.825 490 HA VAL 65 HA VAL 65 6.612 20.522 -9.992 491 HB VAL 65 HB VAL 65 5.373 22.360 -12.068 492 HG11 VAL 65 HG11 VAL 65 7.785 22.280 -12.439 493 HG12 VAL 65 HG12 VAL 65 7.783 20.500 -12.272 494 HG13 VAL 65 HG13 VAL 65 6.974 21.283 -13.642 495 HG21 VAL 65 HG21 VAL 65 5.493 19.315 -11.883 496 HG22 VAL 65 HG22 VAL 65 4.038 20.320 -11.721 497 HG23 VAL 65 HG23 VAL 65 4.884 20.242 -13.265 498 H GLN 66 H GLN 66 8.547 21.279 -9.494 499 HA GLN 66 HA GLN 66 8.760 23.994 -8.387 500 HB2 GLN 66 HB2 GLN 66 9.234 21.730 -7.199 501 HB3 GLN 66 HB3 GLN 66 10.774 21.760 -8.052 502 HG2 GLN 66 HG2 GLN 66 11.317 23.932 -6.942 503 HG3 GLN 66 HG3 GLN 66 9.715 23.952 -6.206 504 HE21 GLN 66 HE22 GLN 66 11.313 24.251 -4.262 505 HE22 GLN 66 HE21 GLN 66 11.768 22.749 -3.466 506 H CYS 67 H CYS 67 9.294 22.915 -11.374 507 HA CYS 67 HA CYS 67 12.075 23.682 -11.840 508 HB2 CYS 67 HB2 CYS 67 9.833 22.923 -13.757 509 HB3 CYS 67 HB3 CYS 67 11.549 23.040 -14.164 510 HG CYS 67 HG CYS 67 10.284 21.107 -11.795 511 H THR 68 H THR 68 9.177 25.452 -11.870 512 HA THR 68 HA THR 68 8.322 27.286 -12.707 513 HB THR 68 HB THR 68 10.098 28.335 -11.470 514 HG1 THR 68 HG1 THR 68 9.587 30.229 -12.406 515 HG21 THR 68 HG21 THR 68 12.204 27.928 -12.600 516 HG22 THR 68 HG22 THR 68 11.589 28.633 -14.119 517 HG23 THR 68 HG23 THR 68 11.845 29.641 -12.687 518 H LEU 69 H LEU 69 10.949 26.417 -14.935 519 HA LEU 69 HA LEU 69 9.593 27.679 -17.186 520 HB2 LEU 69 HB2 LEU 69 11.581 27.207 -18.409 521 HB3 LEU 69 HB3 LEU 69 11.985 27.835 -16.832 522 HG LEU 69 HG LEU 69 12.218 25.209 -16.224 523 HD11 LEU 69 HD11 LEU 69 13.245 23.986 -18.098 524 HD12 LEU 69 HD12 LEU 69 11.574 24.402 -18.503 525 HD13 LEU 69 HD13 LEU 69 12.912 25.342 -19.195 526 HD21 LEU 69 HD21 LEU 69 13.983 26.906 -15.996 527 HD22 LEU 69 HD22 LEU 69 14.624 25.416 -16.700 528 HD23 LEU 69 HD23 LEU 69 14.309 26.824 -17.741 529 H CYS 70 H CYS 70 9.665 24.457 -15.854 530 HA CYS 70 HA CYS 70 8.578 23.212 -18.287 531 HB2 CYS 70 HB2 CYS 70 8.838 22.075 -15.476 532 HB3 CYS 70 HB3 CYS 70 8.468 21.180 -16.953 533 HG CYS 70 HG CYS 70 10.675 21.732 -18.213 534 H LYS 71 H LYS 71 6.474 22.976 -18.775 535 HA LYS 71 HA LYS 71 4.442 24.162 -16.927 536 HB2 LYS 71 HB2 LYS 71 4.380 24.058 -19.957 537 HB3 LYS 71 HB3 LYS 71 3.317 24.973 -18.899 538 HG2 LYS 71 HG2 LYS 71 6.263 25.504 -19.425 539 HG3 LYS 71 HG3 LYS 71 4.883 26.440 -19.983 540 HD2 LYS 71 HD2 LYS 71 4.324 27.021 -17.616 541 HD3 LYS 71 HD3 LYS 71 5.786 26.162 -17.080 542 HE2 LYS 71 HE2 LYS 71 7.170 27.623 -18.522 543 HE3 LYS 71 HE3 LYS 71 5.727 28.482 -19.053 544 HZ1 LYS 71 HZ1 LYS 71 5.382 29.150 -16.709 545 HZ2 LYS 71 HZ2 LYS 71 6.781 28.415 -16.291 546 HZ3 LYS 71 HZ3 LYS 71 6.810 29.697 -17.286 547 H SER 72 H SER 72 5.217 21.141 -17.789 548 HA SER 72 HA SER 72 2.632 20.064 -18.624 549 HB2 SER 72 HB2 SER 72 3.863 17.914 -18.464 550 HB3 SER 72 HB3 SER 72 4.766 19.127 -19.391 551 HG SER 72 HG SER 72 6.099 18.215 -17.823 552 H LYS 73 H LYS 73 1.751 18.157 -17.443 553 HA LYS 73 HA LYS 73 1.260 18.829 -14.604 554 HB2 LYS 73 HB2 LYS 73 -0.265 16.995 -16.485 555 HB3 LYS 73 HB3 LYS 73 -0.756 17.472 -14.854 556 HG2 LYS 73 HG2 LYS 73 -0.750 19.878 -15.611 557 HG3 LYS 73 HG3 LYS 73 -0.458 19.310 -17.267 558 HD2 LYS 73 HD2 LYS 73 -2.540 17.920 -17.113 559 HD3 LYS 73 HD3 LYS 73 -2.880 18.643 -15.538 560 HE2 LYS 73 HE2 LYS 73 -2.591 20.147 -18.178 561 HE3 LYS 73 HE3 LYS 73 -4.116 19.695 -17.435 562 HZ1 LYS 73 HZ1 LYS 73 -2.140 21.565 -16.251 563 HZ2 LYS 73 HZ2 LYS 73 -3.570 21.974 -16.911 564 HZ3 LYS 73 HZ3 LYS 73 -3.540 21.110 -15.533 565 H LYS 74 H LYS 74 3.550 17.079 -15.810 566 HA LYS 74 HA LYS 74 3.555 15.010 -13.644 567 HB2 LYS 74 HB2 LYS 74 4.408 14.601 -16.543 568 HB3 LYS 74 HB3 LYS 74 4.694 13.455 -15.229 569 HG2 LYS 74 HG2 LYS 74 2.271 13.217 -14.860 570 HG3 LYS 74 HG3 LYS 74 1.955 14.295 -16.237 571 HD2 LYS 74 HD2 LYS 74 3.174 12.769 -17.740 572 HD3 LYS 74 HD3 LYS 74 3.513 11.670 -16.405 573 HE2 LYS 74 HE2 LYS 74 0.719 12.437 -17.346 574 HE3 LYS 74 HE3 LYS 74 1.593 11.021 -17.909 575 HZ1 LYS 74 HZ1 LYS 74 0.108 10.441 -16.106 576 HZ2 LYS 74 HZ2 LYS 74 1.643 10.194 -15.629 577 HZ3 LYS 74 HZ3 LYS 74 0.815 11.498 -15.088 578 H HIS 75 H HIS 75 6.256 14.176 -14.596 579 HA HIS 75 HA HIS 75 8.432 14.635 -14.188 580 HB2 HIS 75 HB2 HIS 75 8.078 15.775 -16.292 581 HB3 HIS 75 HB3 HIS 75 7.622 17.258 -15.467 582 HD1 HIS 75 HD1 HIS 75 10.821 15.037 -15.055 583 HD2 HIS 75 HD2 HIS 75 9.524 18.965 -15.799 584 HE1 HIS 75 HE1 HIS 75 12.907 16.488 -15.107 585 H SER 76 H SER 76 8.685 17.895 -13.610 586 HA SER 76 HA SER 76 9.694 19.006 -11.988 587 HB2 SER 76 HB2 SER 76 7.440 18.526 -10.807 588 HB3 SER 76 HB3 SER 76 8.398 17.426 -9.799 589 HG SER 76 HG SER 76 8.804 19.279 -8.856 590 H LYS 77 H LYS 77 9.697 15.574 -11.058 591 HA LYS 77 HA LYS 77 11.272 14.134 -10.343 592 HB2 LYS 77 HB2 LYS 77 11.627 14.525 -12.785 593 HB3 LYS 77 HB3 LYS 77 12.941 15.622 -12.403 594 HG2 LYS 77 HG2 LYS 77 13.709 13.414 -13.127 595 HG3 LYS 77 HG3 LYS 77 14.271 13.760 -11.498 596 HD2 LYS 77 HD2 LYS 77 12.473 12.288 -10.569 597 HD3 LYS 77 HD3 LYS 77 11.845 12.045 -12.205 598 HE2 LYS 77 HE2 LYS 77 13.113 10.118 -11.659 599 HE3 LYS 77 HE3 LYS 77 14.027 11.018 -12.858 600 HZ1 LYS 77 HZ1 LYS 77 15.427 10.236 -11.026 601 HZ2 LYS 77 HZ2 LYS 77 15.433 11.866 -11.054 602 HZ3 LYS 77 HZ3 LYS 77 14.551 11.060 -9.934 603 H GLU 78 H GLU 78 11.077 16.047 -8.478 604 HA GLU 78 HA GLU 78 12.038 17.127 -6.751 605 HB2 GLU 78 HB2 GLU 78 12.963 14.683 -6.533 606 HB3 GLU 78 HB3 GLU 78 14.509 15.412 -6.926 607 HG2 GLU 78 HG2 GLU 78 14.538 15.576 -4.626 608 HG3 GLU 78 HG3 GLU 78 13.845 17.140 -5.013 609 H ARG 79 H ARG 79 12.075 18.769 -8.551 610 HA ARG 79 HA ARG 79 12.855 20.689 -9.375 611 HB2 ARG 79 HB2 ARG 79 13.352 20.881 -6.874 612 HB3 ARG 79 HB3 ARG 79 15.047 20.662 -7.297 613 HG2 ARG 79 HG2 ARG 79 14.860 22.668 -8.833 614 HG3 ARG 79 HG3 ARG 79 13.178 22.860 -8.306 615 HD2 ARG 79 HD2 ARG 79 13.962 23.145 -5.963 616 HD3 ARG 79 HD3 ARG 79 15.631 22.930 -6.509 617 HE ARG 79 HE ARG 79 14.205 25.086 -7.884 618 HH11 ARG 79 HH11 ARG 79 16.147 24.397 -5.033 619 HH12 ARG 79 HH12 ARG 79 16.667 26.061 -4.878 620 HH21 ARG 79 HH21 ARG 79 14.902 27.179 -7.623 621 HH22 ARG 79 HH22 ARG 79 15.968 27.593 -6.305 622 H CYS 80 H CYS 80 13.430 18.925 -11.044 623 HA CYS 80 HA CYS 80 14.565 18.536 -12.953 624 HB2 CYS 80 HB2 CYS 80 13.744 21.004 -12.795 625 HB3 CYS 80 HB3 CYS 80 15.460 21.412 -12.770 626 HG CYS 80 HG CYS 80 16.063 20.093 -14.969 627 HA PRO 81 HA PRO 81 18.981 18.109 -11.342 628 HB2 PRO 81 HB2 PRO 81 19.111 15.431 -10.920 629 HB3 PRO 81 HB3 PRO 81 18.420 16.537 -9.695 630 HG2 PRO 81 HG2 PRO 81 16.931 14.930 -11.805 631 HG3 PRO 81 HG3 PRO 81 16.618 14.980 -10.042 632 HD2 PRO 81 HD2 PRO 81 15.231 16.547 -11.789 633 HD3 PRO 81 HD3 PRO 81 15.713 17.159 -10.175 634 H SER 82 H SER 82 20.714 16.926 -12.422 635 HA SER 82 HA SER 82 20.254 16.376 -15.263 636 HB2 SER 82 HB2 SER 82 22.742 16.340 -13.571 637 HB3 SER 82 HB3 SER 82 22.683 16.063 -15.327 638 HG SER 82 HG SER 82 22.939 18.295 -14.721 639 H ILE 83 H ILE 83 20.132 12.785 -15.053 640 HA ILE 83 HA ILE 83 18.843 15.234 -16.041 641 HB ILE 83 HB ILE 83 20.947 15.142 -17.312 642 HG12 ILE 83 HG12 ILE 83 18.532 14.483 -19.041 643 HG13 ILE 83 HG13 ILE 83 18.840 16.043 -18.273 644 HG21 ILE 83 HG21 ILE 83 20.016 12.479 -18.457 645 HG22 ILE 83 HG22 ILE 83 21.501 13.363 -18.856 646 HG23 ILE 83 HG23 ILE 83 21.310 12.663 -17.254 647 HD11 ILE 83 HD11 ILE 83 20.965 16.241 -19.575 648 HD12 ILE 83 HD12 ILE 83 20.547 14.733 -20.428 649 HD13 ILE 83 HD13 ILE 83 19.511 16.158 -20.586 650 H TRP 84 H TRP 84 16.869 14.913 -16.865 651 HA TRP 84 HA TRP 84 15.729 12.225 -16.442 652 HB2 TRP 84 HB2 TRP 84 14.668 14.152 -15.386 653 HB3 TRP 84 HB3 TRP 84 14.431 14.910 -16.955 654 HD1 TRP 84 HD1 TRP 84 12.047 14.734 -17.691 655 HE1 TRP 84 HE1 TRP 84 10.138 13.044 -17.566 656 HE3 TRP 84 HE3 TRP 84 14.414 11.027 -15.065 657 HZ2 TRP 84 HZ2 TRP 84 9.681 10.419 -16.495 658 HZ3 TRP 84 HZ3 TRP 84 13.211 8.923 -14.540 659 HH2 TRP 84 HH2 TRP 84 10.855 8.610 -15.243 660 H ARG 85 H ARG 85 14.857 10.951 -17.944 661 HA ARG 85 HA ARG 85 14.436 11.799 -20.726 662 HB2 ARG 85 HB2 ARG 85 16.834 11.144 -20.614 663 HB3 ARG 85 HB3 ARG 85 16.373 9.553 -20.014 664 HG2 ARG 85 HG2 ARG 85 15.216 9.059 -22.137 665 HG3 ARG 85 HG3 ARG 85 15.547 10.704 -22.717 666 HD2 ARG 85 HD2 ARG 85 18.000 10.225 -22.567 667 HD3 ARG 85 HD3 ARG 85 17.633 8.599 -22.013 668 HE ARG 85 HE ARG 85 17.042 7.947 -24.164 669 HH11 ARG 85 HH11 ARG 85 17.530 11.429 -24.222 670 HH12 ARG 85 HH12 ARG 85 17.533 11.484 -25.971 671 HH21 ARG 85 HH22 ARG 85 17.060 8.091 -26.373 672 HH22 ARG 85 HH21 ARG 85 17.273 9.637 -27.154 673 H ALA 86 H ALA 86 12.903 10.675 -21.741 674 HA ALA 86 HA ALA 86 11.959 8.065 -20.724 675 HB1 ALA 86 HB1 ALA 86 10.436 9.729 -19.731 676 HB2 ALA 86 HB2 ALA 86 10.120 10.418 -21.339 677 HB3 ALA 86 HB3 ALA 86 9.605 8.761 -20.959 678 H TYR 87 H TYR 87 10.759 6.858 -22.374 679 HA TYR 87 HA TYR 87 11.427 7.627 -25.173 680 HB2 TYR 87 HB2 TYR 87 13.273 6.300 -24.141 681 HB3 TYR 87 HB3 TYR 87 12.146 4.983 -23.860 682 HD1 TYR 87 HD2 TYR 87 13.558 7.186 -26.541 683 HD2 TYR 87 HD1 TYR 87 11.831 3.352 -25.592 684 HE1 TYR 87 HE2 TYR 87 14.051 6.388 -28.849 685 HE2 TYR 87 HE1 TYR 87 12.336 2.552 -27.891 686 HH TYR 87 HH TYR 87 13.290 3.140 -29.949 687 H ILE 88 H ILE 88 10.257 6.661 -26.788 688 HA ILE 88 HA ILE 88 7.932 4.961 -26.119 689 HB ILE 88 HB ILE 88 6.474 6.331 -27.583 690 HG12 ILE 88 HG12 ILE 88 8.593 8.511 -27.319 691 HG13 ILE 88 HG13 ILE 88 8.240 7.613 -28.797 692 HG21 ILE 88 HG21 ILE 88 7.444 7.844 -25.130 693 HG22 ILE 88 HG22 ILE 88 5.819 7.876 -25.848 694 HG23 ILE 88 HG23 ILE 88 6.410 6.402 -25.087 695 HD11 ILE 88 HD11 ILE 88 6.352 9.517 -27.362 696 HD12 ILE 88 HD12 ILE 88 7.150 9.747 -28.923 697 HD13 ILE 88 HD13 ILE 88 5.902 8.497 -28.754 698 H LEU 89 H LEU 89 7.247 3.611 -27.693 699 HA LEU 89 HA LEU 89 8.275 3.718 -30.420 700 HB2 LEU 89 HB2 LEU 89 10.082 2.554 -29.134 701 HB3 LEU 89 HB3 LEU 89 8.907 1.370 -28.582 702 HG LEU 89 HG LEU 89 8.572 0.611 -30.937 703 HD11 LEU 89 HD11 LEU 89 10.220 1.335 -32.661 704 HD12 LEU 89 HD12 LEU 89 9.166 2.668 -32.179 705 HD13 LEU 89 HD13 LEU 89 10.825 2.579 -31.550 706 HD21 LEU 89 HD21 LEU 89 11.481 0.657 -30.030 707 HD22 LEU 89 HD22 LEU 89 10.234 -0.476 -29.469 708 HD23 LEU 89 HD23 LEU 89 10.748 -0.499 -31.162 709 H VAL 90 H VAL 90 6.914 2.673 -31.852 710 HA VAL 90 HA VAL 90 4.599 1.103 -30.820 711 HB VAL 90 HB VAL 90 4.353 3.361 -32.846 712 HG11 VAL 90 HG11 VAL 90 2.258 1.610 -31.481 713 HG12 VAL 90 HG12 VAL 90 1.906 3.017 -32.505 714 HG13 VAL 90 HG13 VAL 90 2.678 1.603 -33.212 715 HG21 VAL 90 HG21 VAL 90 3.012 4.530 -31.100 716 HG22 VAL 90 HG22 VAL 90 3.487 3.286 -29.924 717 HG23 VAL 90 HG23 VAL 90 4.704 4.368 -30.640 718 H ASP 91 H ASP 91 3.901 -0.526 -32.160 719 HA ASP 91 HA ASP 91 5.736 -1.523 -34.150 720 HB2 ASP 91 HB2 ASP 91 2.960 -2.433 -33.334 721 HB3 ASP 91 HB3 ASP 91 4.013 -3.305 -34.436 722 H ASP 92 H ASP 92 5.572 -1.693 -36.353 723 HA ASP 92 HA ASP 92 4.197 0.430 -37.729 724 HB2 ASP 92 HB2 ASP 92 6.431 -0.255 -38.324 725 HB3 ASP 92 HB3 ASP 92 5.903 -1.899 -38.653 726 H ASN 93 H ASN 93 3.760 -3.095 -37.764 727 HA ASN 93 HA ASN 93 2.163 -4.487 -38.416 728 HB2 ASN 93 HB2 ASN 93 1.054 -3.073 -36.653 729 HB3 ASN 93 HB3 ASN 93 0.250 -2.188 -37.945 730 HD21 ASN 93 HD22 ASN 93 -1.885 -2.837 -37.845 731 HD22 ASN 93 HD21 ASN 93 -2.392 -4.522 -37.759 732 H GLU 94 H GLU 94 3.013 -2.359 -40.740 733 HA GLU 94 HA GLU 94 1.080 -3.510 -42.731 734 HB2 GLU 94 HB2 GLU 94 2.140 -0.664 -42.586 735 HB3 GLU 94 HB3 GLU 94 1.212 -1.345 -43.926 736 HG2 GLU 94 HG2 GLU 94 -0.628 -1.885 -42.264 737 HG3 GLU 94 HG3 GLU 94 0.238 -0.921 -41.078 738 H LYS 95 H LYS 95 4.385 -2.677 -42.120 739 HA LYS 95 HA LYS 95 6.342 -3.208 -42.967 740 HB2 LYS 95 HB2 LYS 95 5.024 -5.104 -44.920 741 HB3 LYS 95 HB3 LYS 95 6.718 -5.061 -44.436 742 HG2 LYS 95 HG2 LYS 95 6.062 -5.616 -42.093 743 HG3 LYS 95 HG3 LYS 95 4.370 -5.731 -42.611 744 HD2 LYS 95 HD2 LYS 95 4.982 -7.517 -44.221 745 HD3 LYS 95 HD3 LYS 95 6.664 -7.438 -43.657 746 HE2 LYS 95 HE2 LYS 95 5.926 -8.015 -41.368 747 HE3 LYS 95 HE3 LYS 95 4.251 -8.062 -41.908 748 HZ1 LYS 95 HZ1 LYS 95 6.395 -9.872 -42.873 749 HZ2 LYS 95 HZ2 LYS 95 5.207 -10.282 -41.835 750 HZ3 LYS 95 HZ3 LYS 95 4.841 -9.911 -43.379 751 H ALA 96 H ALA 96 7.881 -2.742 -44.501 752 HA ALA 96 HA ALA 96 7.050 -0.610 -46.359 753 HB1 ALA 96 HB1 ALA 96 9.812 -1.470 -45.437 754 HB2 ALA 96 HB2 ALA 96 9.414 -0.020 -46.381 755 HB3 ALA 96 HB3 ALA 96 8.822 -0.176 -44.721 756 H LYS 97 H LYS 97 7.909 -0.408 -48.474 757 HA LYS 97 HA LYS 97 8.874 -2.748 -49.943 758 HB2 LYS 97 HB2 LYS 97 6.997 -2.745 -51.551 759 HB3 LYS 97 HB3 LYS 97 6.501 -3.182 -49.924 760 HG2 LYS 97 HG2 LYS 97 5.637 -0.819 -49.601 761 HG3 LYS 97 HG3 LYS 97 6.095 -0.471 -51.269 762 HD2 LYS 97 HD2 LYS 97 3.723 -0.946 -51.184 763 HD3 LYS 97 HD3 LYS 97 4.552 -2.209 -52.080 764 HE2 LYS 97 HE2 LYS 97 2.887 -3.236 -50.695 765 HE3 LYS 97 HE3 LYS 97 4.464 -3.697 -50.089 766 HZ1 LYS 97 HZ1 LYS 97 2.949 -3.066 -48.298 767 HZ2 LYS 97 HZ2 LYS 97 4.196 -2.023 -48.320 768 HZ3 LYS 97 HZ3 LYS 97 2.739 -1.578 -48.920 769 HA PRO 98 HA PRO 98 10.833 0.496 -52.183 770 HB2 PRO 98 HB2 PRO 98 11.737 -0.730 -54.431 771 HB3 PRO 98 HB3 PRO 98 12.292 -1.197 -52.798 772 HG2 PRO 98 HG2 PRO 98 10.101 -2.507 -54.447 773 HG3 PRO 98 HG3 PRO 98 11.501 -3.294 -53.650 774 HD2 PRO 98 HD2 PRO 98 9.049 -3.180 -52.471 775 HD3 PRO 98 HD3 PRO 98 10.550 -3.029 -51.514 776 H LYS 99 H LYS 99 7.989 -0.857 -53.560 777 HA LYS 99 HA LYS 99 6.433 -0.270 -55.062 778 HB2 LYS 99 HB2 LYS 99 7.462 2.553 -54.670 779 HB3 LYS 99 HB3 LYS 99 5.938 2.097 -55.431 780 HG2 LYS 99 HG2 LYS 99 5.246 0.958 -53.299 781 HG3 LYS 99 HG3 LYS 99 6.739 1.525 -52.544 782 HD2 LYS 99 HD2 LYS 99 4.974 2.985 -51.878 783 HD3 LYS 99 HD3 LYS 99 6.041 3.883 -52.966 784 HE2 LYS 99 HE2 LYS 99 4.447 3.504 -54.831 785 HE3 LYS 99 HE3 LYS 99 3.418 2.550 -53.770 786 HZ1 LYS 99 HZ1 LYS 99 4.024 5.431 -53.405 787 HZ2 LYS 99 HZ2 LYS 99 2.619 4.826 -53.964 788 HZ3 LYS 99 HZ3 LYS 99 3.061 4.545 -52.423 789 H VAL 100 H VAL 100 9.586 -0.042 -56.065 790 HA VAL 100 HA VAL 100 8.682 -0.573 -58.839 791 HB VAL 100 HB VAL 100 10.748 0.436 -59.748 792 HG11 VAL 100 HG11 VAL 100 9.969 2.739 -59.759 793 HG12 VAL 100 HG12 VAL 100 8.589 1.636 -59.852 794 HG13 VAL 100 HG13 VAL 100 8.972 2.453 -58.321 795 HG21 VAL 100 HG21 VAL 100 11.049 1.802 -57.038 796 HG22 VAL 100 HG22 VAL 100 12.138 0.558 -57.692 797 HG23 VAL 100 HG23 VAL 100 11.999 2.124 -58.500 798 H LEU 101 H LEU 101 9.821 -2.231 -59.880 799 HA LEU 101 HA LEU 101 11.866 -3.721 -58.325 800 HB2 LEU 101 HB2 LEU 101 9.697 -4.452 -57.471 801 HB3 LEU 101 HB3 LEU 101 9.137 -4.806 -59.099 802 HG LEU 101 HG LEU 101 10.823 -6.621 -59.304 803 HD11 LEU 101 HD11 LEU 101 12.606 -5.796 -57.829 804 HD12 LEU 101 HD12 LEU 101 11.519 -5.905 -56.422 805 HD13 LEU 101 HD13 LEU 101 12.046 -7.374 -57.274 806 HD21 LEU 101 HD21 LEU 101 9.147 -6.781 -56.766 807 HD22 LEU 101 HD22 LEU 101 8.572 -7.098 -58.417 808 HD23 LEU 101 HD23 LEU 101 9.792 -8.157 -57.691 809 HA PRO 102 HA PRO 102 13.048 -4.294 -62.719 810 HB2 PRO 102 HB2 PRO 102 15.677 -4.692 -61.329 811 HB3 PRO 102 HB3 PRO 102 15.320 -3.783 -62.825 812 HG2 PRO 102 HG2 PRO 102 15.792 -2.472 -60.496 813 HG3 PRO 102 HG3 PRO 102 14.468 -1.930 -61.579 814 HD2 PRO 102 HD2 PRO 102 14.264 -3.701 -59.123 815 HD3 PRO 102 HD3 PRO 102 13.292 -2.262 -59.555 816 H PHE 103 H PHE 103 13.423 -6.260 -63.750 817 HA PHE 103 HA PHE 103 14.071 -8.682 -62.118 818 HB2 PHE 103 HB2 PHE 103 12.291 -9.931 -63.166 819 HB3 PHE 103 HB3 PHE 103 11.649 -8.549 -62.309 820 HD1 PHE 103 HD1 PHE 103 10.657 -6.630 -63.534 821 HD2 PHE 103 HD2 PHE 103 12.140 -10.105 -65.607 822 HE1 PHE 103 HE1 PHE 103 9.455 -5.923 -65.584 823 HE2 PHE 103 HE2 PHE 103 10.939 -9.390 -67.656 824 HZ PHE 103 HZ PHE 103 9.595 -7.300 -67.648 825 H HIS 104 H HIS 104 14.599 -6.943 -65.038 826 HA HIS 104 HA HIS 104 16.579 -8.995 -65.859 827 HB2 HIS 104 HB2 HIS 104 14.748 -7.438 -67.722 828 HB3 HIS 104 HB3 HIS 104 16.209 -8.271 -68.236 829 HD1 HIS 104 HD1 HIS 104 14.976 -10.764 -66.030 830 HD2 HIS 104 HD2 HIS 104 13.681 -9.169 -69.679 831 HE1 HIS 104 HE1 HIS 104 13.557 -12.563 -67.120 832 H THR 105 H THR 105 18.545 -8.165 -66.258 833 HA THR 105 HA THR 105 19.008 -5.269 -65.692 834 HB THR 105 HB THR 105 21.084 -6.198 -64.594 835 HG1 THR 105 HG1 THR 105 21.109 -8.424 -64.369 836 HG21 THR 105 HG21 THR 105 18.565 -7.490 -63.464 837 HG22 THR 105 HG22 THR 105 20.037 -7.013 -62.596 838 HG23 THR 105 HG23 THR 105 18.971 -5.770 -63.261 839 H ILE 106 H ILE 106 19.444 -7.483 -68.204 840 HA ILE 106 HA ILE 106 21.510 -5.795 -69.453 841 HB ILE 106 HB ILE 106 22.782 -7.572 -68.422 842 HG12 ILE 106 HG12 ILE 106 22.723 -8.026 -71.427 843 HG13 ILE 106 HG13 ILE 106 23.396 -6.588 -70.655 844 HG21 ILE 106 HG21 ILE 106 21.091 -9.528 -70.036 845 HG22 ILE 106 HG22 ILE 106 22.556 -9.946 -69.106 846 HG23 ILE 106 HG23 ILE 106 21.130 -9.358 -68.269 847 HD11 ILE 106 HD11 ILE 106 24.411 -9.436 -70.283 848 HD12 ILE 106 HD12 ILE 106 25.190 -8.113 -71.164 849 HD13 ILE 106 HD13 ILE 106 25.011 -8.005 -69.407 850 H TYR 107 H TYR 107 21.400 -5.647 -71.653 851 HA TYR 107 HA TYR 107 18.811 -6.548 -72.841 852 HB2 TYR 107 HB2 TYR 107 19.076 -4.188 -71.934 853 HB3 TYR 107 HB3 TYR 107 20.235 -3.892 -73.206 854 HD1 TYR 107 HD1 TYR 107 19.449 -3.835 -75.605 855 HD2 TYR 107 HD2 TYR 107 16.728 -4.286 -72.290 856 HE1 TYR 107 HE1 TYR 107 17.570 -3.065 -77.043 857 HE2 TYR 107 HE2 TYR 107 14.845 -3.530 -73.736 858 HH TYR 107 HH TYR 107 15.276 -2.592 -77.094 859 H CYS 108 H CYS 108 19.091 -7.839 -74.563 860 HA CYS 108 HA CYS 108 21.749 -7.964 -75.807 861 HB2 CYS 108 HB2 CYS 108 21.036 -10.221 -76.484 862 HB3 CYS 108 HB3 CYS 108 20.967 -9.927 -74.741 863 HG CYS 108 HG CYS 108 18.576 -9.972 -76.967 864 H TYR 109 H TYR 109 21.238 -5.910 -76.898 865 HA TYR 109 HA TYR 109 19.587 -5.189 -78.872 866 HB2 TYR 109 HB2 TYR 109 22.613 -4.935 -78.863 867 HB3 TYR 109 HB3 TYR 109 21.547 -4.026 -79.914 868 HD1 TYR 109 HD1 TYR 109 19.885 -2.415 -79.007 869 HD2 TYR 109 HD2 TYR 109 22.933 -4.224 -76.549 870 HE1 TYR 109 HE1 TYR 109 19.574 -0.629 -77.297 871 HE2 TYR 109 HE2 TYR 109 22.616 -2.446 -74.844 872 HH TYR 109 HH TYR 109 21.420 -0.502 -74.315 873 H ASN 110 H ASN 110 22.171 -7.598 -79.457 874 HA ASN 110 HA ASN 110 21.843 -7.341 -82.352 875 HB2 ASN 110 HB2 ASN 110 24.046 -7.388 -81.032 876 HB3 ASN 110 HB3 ASN 110 23.778 -9.120 -80.843 877 HD21 ASN 110 HD22 ASN 110 25.297 -10.048 -82.234 878 HD22 ASN 110 HD21 ASN 110 25.492 -9.555 -83.912 879 H CYS 111 H CYS 111 20.421 -9.490 -80.089 880 HA CYS 111 HA CYS 111 19.795 -11.431 -82.264 881 HB2 CYS 111 HB2 CYS 111 20.293 -13.290 -80.922 882 HB3 CYS 111 HB3 CYS 111 21.662 -12.206 -80.710 883 HG CYS 111 HG CYS 111 20.950 -13.465 -78.474 884 H GLY 112 H GLY 112 18.061 -13.074 -81.304 885 HA2 GLY 112 HA2 GLY 112 15.610 -11.665 -81.231 886 HA3 GLY 112 HA3 GLY 112 15.820 -13.371 -80.850 887 H GLY 113 H GLY 113 13.966 -11.557 -79.631 888 HA2 GLY 113 HA2 GLY 113 13.033 -11.310 -77.520 889 HA3 GLY 113 HA3 GLY 113 14.485 -12.003 -76.798 890 H LYS 114 H LYS 114 16.363 -10.135 -77.878 891 HA LYS 114 HA LYS 114 17.449 -8.227 -77.275 892 HB2 LYS 114 HB2 LYS 114 15.911 -7.822 -79.288 893 HB3 LYS 114 HB3 LYS 114 14.941 -6.824 -78.200 894 HG2 LYS 114 HG2 LYS 114 17.131 -5.559 -77.667 895 HG3 LYS 114 HG3 LYS 114 17.874 -6.504 -78.964 896 HD2 LYS 114 HD2 LYS 114 15.460 -4.680 -79.325 897 HD3 LYS 114 HD3 LYS 114 17.133 -4.198 -79.634 898 HE2 LYS 114 HE2 LYS 114 17.353 -5.996 -81.320 899 HE3 LYS 114 HE3 LYS 114 15.684 -6.480 -81.035 900 HZ1 LYS 114 HZ1 LYS 114 16.525 -3.831 -82.074 901 HZ2 LYS 114 HZ2 LYS 114 15.865 -5.026 -82.962 902 HZ3 LYS 114 HZ3 LYS 114 14.976 -4.288 -81.815 903 H GLY 115 H GLY 115 16.721 -9.242 -74.981 904 HA2 GLY 115 HA2 GLY 115 16.703 -7.094 -73.094 905 HA3 GLY 115 HA3 GLY 115 15.054 -7.672 -73.291 906 H HIS 116 H HIS 116 17.606 -10.125 -73.536 907 HA HIS 116 HA HIS 116 17.197 -10.915 -70.722 908 HB2 HIS 116 HB2 HIS 116 16.371 -13.050 -71.171 909 HB3 HIS 116 HB3 HIS 116 15.370 -11.979 -72.136 910 HD1 HIS 116 HD1 HIS 116 17.281 -15.099 -72.431 911 HD2 HIS 116 HD2 HIS 116 16.384 -11.839 -74.922 912 HE1 HIS 116 HE1 HIS 116 17.770 -15.854 -74.812 913 H PHE 117 H PHE 117 18.737 -12.119 -69.849 914 HA PHE 117 HA PHE 117 20.946 -12.728 -69.475 915 HB2 PHE 117 HB2 PHE 117 19.917 -14.846 -71.366 916 HB3 PHE 117 HB3 PHE 117 21.033 -15.067 -70.025 917 HD1 PHE 117 HD1 PHE 117 19.674 -13.572 -67.802 918 HD2 PHE 117 HD2 PHE 117 18.097 -16.229 -70.816 919 HE1 PHE 117 HE1 PHE 117 17.745 -14.091 -66.345 920 HE2 PHE 117 HE2 PHE 117 16.167 -16.734 -69.347 921 HZ PHE 117 HZ PHE 117 15.984 -15.663 -67.114 922 H GLY 118 H GLY 118 21.384 -10.778 -71.383 923 HA2 GLY 118 HA2 GLY 118 22.390 -11.403 -73.822 924 HA3 GLY 118 HA3 GLY 118 22.904 -9.987 -72.907 925 H ASP 119 H ASP 119 24.198 -11.910 -70.894 926 HA ASP 119 HA ASP 119 26.845 -12.141 -72.127 927 HB2 ASP 119 HB2 ASP 119 26.426 -11.446 -69.764 928 HB3 ASP 119 HB3 ASP 119 25.753 -13.035 -69.435 929 H ASP 120 H ASP 120 24.307 -14.394 -71.039 930 HA ASP 120 HA ASP 120 26.008 -16.757 -71.590 931 HB2 ASP 120 HB2 ASP 120 25.100 -16.357 -69.331 932 HB3 ASP 120 HB3 ASP 120 23.467 -16.398 -69.976 933 H CYS 121 H CYS 121 23.123 -15.226 -72.835 934 HA CYS 121 HA CYS 121 22.007 -17.563 -74.101 935 HB2 CYS 121 HB2 CYS 121 20.404 -16.075 -75.045 936 HB3 CYS 121 HB3 CYS 121 20.705 -15.544 -73.388 937 HG CYS 121 HG CYS 121 22.136 -13.556 -73.873 938 H LYS 122 H LYS 122 24.828 -16.088 -74.851 939 HA LYS 122 HA LYS 122 24.786 -16.034 -77.753 940 HB2 LYS 122 HB2 LYS 122 27.127 -16.269 -75.820 941 HB3 LYS 122 HB3 LYS 122 27.234 -15.884 -77.537 942 HG2 LYS 122 HG2 LYS 122 25.877 -13.818 -77.132 943 HG3 LYS 122 HG3 LYS 122 25.895 -14.178 -75.393 944 HD2 LYS 122 HD2 LYS 122 28.420 -14.180 -75.495 945 HD3 LYS 122 HD3 LYS 122 28.314 -13.593 -77.156 946 HE2 LYS 122 HE2 LYS 122 27.234 -12.220 -74.659 947 HE3 LYS 122 HE3 LYS 122 28.704 -11.782 -75.516 948 HZ1 LYS 122 HZ1 LYS 122 27.297 -11.254 -77.463 949 HZ2 LYS 122 HZ2 LYS 122 25.950 -11.572 -76.579 950 HZ3 LYS 122 HZ3 LYS 122 26.919 -10.335 -76.169 951 H GLU 123 H GLU 123 25.907 -17.469 -79.167 952 HA GLU 123 HA GLU 123 25.841 -20.335 -78.292 953 HB2 GLU 123 HB2 GLU 123 25.438 -19.135 -81.048 954 HB3 GLU 123 HB3 GLU 123 25.553 -20.863 -80.689 955 HG2 GLU 123 HG2 GLU 123 23.583 -20.671 -79.177 956 HG3 GLU 123 HG3 GLU 123 23.419 -18.978 -79.616 957 H LYS 124 H LYS 124 27.418 -21.774 -78.980 958 HA LYS 124 HA LYS 124 30.146 -20.700 -79.238 959 HB2 LYS 124 HB2 LYS 124 29.076 -23.549 -79.071 960 HB3 LYS 124 HB3 LYS 124 30.776 -23.117 -79.101 961 HG2 LYS 124 HG2 LYS 124 28.806 -22.334 -76.909 962 HG3 LYS 124 HG3 LYS 124 29.981 -23.645 -76.840 963 HD2 LYS 124 HD2 LYS 124 31.832 -21.980 -77.120 964 HD3 LYS 124 HD3 LYS 124 30.628 -20.673 -77.045 965 HE2 LYS 124 HE2 LYS 124 29.917 -21.462 -74.811 966 HE3 LYS 124 HE3 LYS 124 31.101 -22.763 -74.884 967 HZ1 LYS 124 HZ1 LYS 124 31.756 -19.869 -74.892 968 HZ2 LYS 124 HZ2 LYS 124 31.951 -20.880 -73.630 969 HZ3 LYS 124 HZ3 LYS 124 32.855 -21.078 -74.969 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -24.507 11.848 0.650 2 H2 LYS 1 H2 LYS 1 -25.404 13.217 0.695 3 H3 LYS 1 H3 LYS 1 -25.739 11.968 1.710 4 HA LYS 1 HA LYS 1 -23.327 13.666 1.745 5 HB2 LYS 1 HB2 LYS 1 -25.360 14.705 2.708 6 HB3 LYS 1 HB3 LYS 1 -25.539 13.342 3.813 7 HG2 LYS 1 HG2 LYS 1 -23.324 13.915 4.838 8 HG3 LYS 1 HG3 LYS 1 -23.196 15.297 3.731 9 HD2 LYS 1 HD2 LYS 1 -25.256 16.269 4.689 10 HD3 LYS 1 HD3 LYS 1 -25.444 14.859 5.750 11 HE2 LYS 1 HE2 LYS 1 -23.245 15.385 6.797 12 HE3 LYS 1 HE3 LYS 1 -23.108 16.811 5.776 13 HZ1 LYS 1 HZ1 LYS 1 -25.255 16.352 7.775 14 HZ2 LYS 1 HZ2 LYS 1 -23.999 17.372 7.962 15 HZ3 LYS 1 HZ3 LYS 1 -25.128 17.677 6.830 16 H GLU 2 H GLU 2 -21.594 12.399 1.969 17 HA GLU 2 HA GLU 2 -21.818 9.804 3.402 18 HB2 GLU 2 HB2 GLU 2 -19.767 10.883 1.434 19 HB3 GLU 2 HB3 GLU 2 -19.694 9.311 2.218 20 HG2 GLU 2 HG2 GLU 2 -20.567 8.929 0.059 21 HG3 GLU 2 HG3 GLU 2 -21.874 8.683 1.199 22 H ALA 3 H ALA 3 -20.236 12.899 3.810 23 HA ALA 3 HA ALA 3 -18.408 11.790 5.862 24 HB1 ALA 3 HB1 ALA 3 -17.382 13.049 4.056 25 HB2 ALA 3 HB2 ALA 3 -18.356 14.483 4.469 26 HB3 ALA 3 HB3 ALA 3 -17.150 13.850 5.615 27 H ALA 4 H ALA 4 -21.000 11.723 6.667 28 HA ALA 4 HA ALA 4 -21.864 13.697 8.490 29 HB1 ALA 4 HB1 ALA 4 -22.808 11.747 9.725 30 HB2 ALA 4 HB2 ALA 4 -23.151 11.691 7.986 31 HB3 ALA 4 HB3 ALA 4 -21.901 10.648 8.676 32 HA PRO 5 HA PRO 5 -18.711 12.205 11.764 33 HB2 PRO 5 HB2 PRO 5 -16.644 10.537 11.168 34 HB3 PRO 5 HB3 PRO 5 -18.291 9.938 11.534 35 HG2 PRO 5 HG2 PRO 5 -17.110 10.466 8.776 36 HG3 PRO 5 HG3 PRO 5 -17.871 8.952 9.376 37 HD2 PRO 5 HD2 PRO 5 -19.271 10.725 7.971 38 HD3 PRO 5 HD3 PRO 5 -19.996 9.953 9.414 39 H LYS 6 H LYS 6 -17.430 12.784 8.544 40 HA LYS 6 HA LYS 6 -15.721 13.888 7.610 41 HB2 LYS 6 HB2 LYS 6 -16.929 15.718 8.941 42 HB3 LYS 6 HB3 LYS 6 -15.541 15.725 10.009 43 HG2 LYS 6 HG2 LYS 6 -15.504 16.221 6.996 44 HG3 LYS 6 HG3 LYS 6 -15.572 17.462 8.245 45 HD2 LYS 6 HD2 LYS 6 -13.328 16.886 9.036 46 HD3 LYS 6 HD3 LYS 6 -13.231 15.543 7.892 47 HE2 LYS 6 HE2 LYS 6 -12.001 17.473 7.056 48 HE3 LYS 6 HE3 LYS 6 -13.315 17.016 5.989 49 HZ1 LYS 6 HZ1 LYS 6 -14.607 18.877 6.860 50 HZ2 LYS 6 HZ2 LYS 6 -13.412 19.287 7.905 51 HZ3 LYS 6 HZ3 LYS 6 -13.179 19.417 6.304 52 H CYS 7 H CYS 7 -14.680 13.816 11.010 53 HA CYS 7 HA CYS 7 -12.429 12.036 10.568 54 HB2 CYS 7 HB2 CYS 7 -11.686 14.350 9.708 55 HB3 CYS 7 HB3 CYS 7 -11.775 14.876 11.397 56 HG CYS 7 HG CYS 7 -10.154 12.309 10.081 57 H ASN 8 H ASN 8 -11.130 11.895 12.755 58 HA ASN 8 HA ASN 8 -13.118 11.576 14.853 59 HB2 ASN 8 HB2 ASN 8 -11.558 10.336 16.034 60 HB3 ASN 8 HB3 ASN 8 -11.225 9.925 14.357 61 HD21 ASN 8 HD22 ASN 8 -9.426 9.475 16.513 62 HD22 ASN 8 HD21 ASN 8 -8.019 10.487 16.192 63 H ASN 9 H ASN 9 -10.594 13.952 14.256 64 HA ASN 9 HA ASN 9 -11.667 15.703 16.357 65 HB2 ASN 9 HB2 ASN 9 -10.096 14.161 17.564 66 HB3 ASN 9 HB3 ASN 9 -8.793 14.672 16.498 67 HD21 ASN 9 HD22 ASN 9 -7.833 15.154 18.707 68 HD22 ASN 9 HD21 ASN 9 -8.191 16.739 19.387 69 H CYS 10 H CYS 10 -8.724 15.338 14.261 70 HA CYS 10 HA CYS 10 -8.679 18.212 13.719 71 HB2 CYS 10 HB2 CYS 10 -6.747 17.652 12.264 72 HB3 CYS 10 HB3 CYS 10 -6.558 17.152 13.944 73 HG CYS 10 HG CYS 10 -6.855 14.671 13.654 74 H SER 11 H SER 11 -9.624 19.278 12.061 75 HA SER 11 HA SER 11 -11.599 17.887 10.593 76 HB2 SER 11 HB2 SER 11 -10.859 20.797 10.327 77 HB3 SER 11 HB3 SER 11 -12.425 20.030 9.992 78 HG SER 11 HG SER 11 -12.293 20.939 12.097 79 H GLN 12 H GLN 12 -9.335 16.819 9.549 80 HA GLN 12 HA GLN 12 -9.031 17.879 6.789 81 HB2 GLN 12 HB2 GLN 12 -7.431 15.809 8.329 82 HB3 GLN 12 HB3 GLN 12 -7.169 16.246 6.634 83 HG2 GLN 12 HG2 GLN 12 -6.777 18.624 7.344 84 HG3 GLN 12 HG3 GLN 12 -6.910 18.121 9.029 85 HE21 GLN 12 HE22 GLN 12 -4.623 19.332 8.649 86 HE22 GLN 12 HE21 GLN 12 -3.298 18.197 8.424 87 H ARG 13 H ARG 13 -9.314 16.535 4.994 88 HA ARG 13 HA ARG 13 -11.658 14.822 5.193 89 HB2 ARG 13 HB2 ARG 13 -11.666 14.851 2.788 90 HB3 ARG 13 HB3 ARG 13 -11.396 16.476 3.401 91 HG2 ARG 13 HG2 ARG 13 -8.994 16.323 2.895 92 HG3 ARG 13 HG3 ARG 13 -9.175 14.647 2.361 93 HD2 ARG 13 HD2 ARG 13 -10.555 17.042 1.072 94 HD3 ARG 13 HD3 ARG 13 -9.052 16.327 0.512 95 HE ARG 13 HE ARG 13 -10.185 14.284 -0.071 96 HH11 ARG 13 HH11 ARG 13 -12.436 16.905 0.603 97 HH12 ARG 13 HH12 ARG 13 -13.743 16.101 -0.242 98 HH21 ARG 13 HH21 ARG 13 -11.882 13.331 -1.102 99 HH22 ARG 13 HH22 ARG 13 -13.432 14.129 -1.180 100 H GLY 14 H GLY 14 -11.817 12.844 3.806 101 HA2 GLY 14 HA2 GLY 14 -11.104 10.753 3.071 102 HA3 GLY 14 HA3 GLY 14 -9.465 11.104 3.609 103 H HIS 15 H HIS 15 -9.051 10.980 6.000 104 HA HIS 15 HA HIS 15 -10.274 8.534 6.940 105 HB2 HIS 15 HB2 HIS 15 -8.572 8.440 8.625 106 HB3 HIS 15 HB3 HIS 15 -7.937 8.651 7.010 107 HD1 HIS 15 HD1 HIS 15 -5.814 9.222 8.860 108 HD2 HIS 15 HD2 HIS 15 -8.777 12.097 8.078 109 HE1 HIS 15 HE1 HIS 15 -4.848 11.459 9.573 110 H LEU 16 H LEU 16 -12.379 9.113 7.323 111 HA LEU 16 HA LEU 16 -13.415 10.747 9.367 112 HB2 LEU 16 HB2 LEU 16 -15.341 9.251 9.320 113 HB3 LEU 16 HB3 LEU 16 -14.792 9.762 7.736 114 HG LEU 16 HG LEU 16 -13.614 7.438 7.583 115 HD11 LEU 16 HD11 LEU 16 -14.818 5.668 8.892 116 HD12 LEU 16 HD12 LEU 16 -13.801 6.683 9.911 117 HD13 LEU 16 HD13 LEU 16 -15.569 6.940 9.878 118 HD21 LEU 16 HD21 LEU 16 -15.615 8.085 6.302 119 HD22 LEU 16 HD22 LEU 16 -15.688 6.395 6.804 120 HD23 LEU 16 HD23 LEU 16 -16.656 7.615 7.663 121 H LYS 17 H LYS 17 -14.645 9.684 11.305 122 HA LYS 17 HA LYS 17 -13.109 9.575 13.456 123 HB2 LYS 17 HB2 LYS 17 -15.725 9.348 13.092 124 HB3 LYS 17 HB3 LYS 17 -15.467 7.666 13.470 125 HG2 LYS 17 HG2 LYS 17 -14.649 10.052 15.185 126 HG3 LYS 17 HG3 LYS 17 -16.114 9.117 15.396 127 HD2 LYS 17 HD2 LYS 17 -13.277 8.073 15.834 128 HD3 LYS 17 HD3 LYS 17 -14.432 8.567 17.064 129 HE2 LYS 17 HE2 LYS 17 -16.015 6.789 16.229 130 HE3 LYS 17 HE3 LYS 17 -14.737 6.200 15.172 131 HZ1 LYS 17 HZ1 LYS 17 -14.800 4.993 17.281 132 HZ2 LYS 17 HZ2 LYS 17 -13.381 5.789 17.162 133 HZ3 LYS 17 HZ3 LYS 17 -14.565 6.356 18.132 134 H LYS 18 H LYS 18 -14.270 6.407 12.291 135 HA LYS 18 HA LYS 18 -12.240 4.951 13.781 136 HB2 LYS 18 HB2 LYS 18 -13.340 2.957 12.955 137 HB3 LYS 18 HB3 LYS 18 -14.497 4.104 13.617 138 HG2 LYS 18 HG2 LYS 18 -15.198 4.787 11.371 139 HG3 LYS 18 HG3 LYS 18 -13.949 3.758 10.635 140 HD2 LYS 18 HD2 LYS 18 -15.003 1.759 11.632 141 HD3 LYS 18 HD3 LYS 18 -16.264 2.755 12.360 142 HE2 LYS 18 HE2 LYS 18 -15.719 2.605 9.364 143 HE3 LYS 18 HE3 LYS 18 -16.846 1.547 10.197 144 HZ1 LYS 18 HZ1 LYS 18 -17.098 4.503 10.090 145 HZ2 LYS 18 HZ2 LYS 18 -17.996 3.433 9.250 146 HZ3 LYS 18 HZ3 LYS 18 -18.125 3.489 10.869 147 H ASP 19 H ASP 19 -11.896 6.478 10.862 148 HA ASP 19 HA ASP 19 -10.003 4.525 9.691 149 HB2 ASP 19 HB2 ASP 19 -11.772 6.058 8.461 150 HB3 ASP 19 HB3 ASP 19 -10.551 7.297 8.664 151 H CYS 20 H CYS 20 -10.046 7.724 11.267 152 HA CYS 20 HA CYS 20 -7.478 8.595 10.805 153 HB2 CYS 20 HB2 CYS 20 -9.407 9.848 11.874 154 HB3 CYS 20 HB3 CYS 20 -8.962 9.070 13.406 155 HG CYS 20 HG CYS 20 -7.898 11.410 13.474 156 HA PRO 21 HA PRO 21 -5.825 7.081 14.938 157 HB2 PRO 21 HB2 PRO 21 -6.798 4.959 16.365 158 HB3 PRO 21 HB3 PRO 21 -7.513 6.595 16.403 159 HG2 PRO 21 HG2 PRO 21 -8.363 4.249 14.677 160 HG3 PRO 21 HG3 PRO 21 -9.393 5.261 15.743 161 HD2 PRO 21 HD2 PRO 21 -9.204 5.751 13.105 162 HD3 PRO 21 HD3 PRO 21 -9.249 7.107 14.279 163 H HIS 22 H HIS 22 -5.968 5.201 12.236 164 HA HIS 22 HA HIS 22 -4.347 2.938 12.856 165 HB2 HIS 22 HB2 HIS 22 -5.643 3.251 10.782 166 HB3 HIS 22 HB3 HIS 22 -4.599 4.591 10.314 167 HD1 HIS 22 HD1 HIS 22 -2.887 3.789 8.537 168 HD2 HIS 22 HD2 HIS 22 -3.936 0.849 11.346 169 HE1 HIS 22 HE1 HIS 22 -1.575 1.709 7.914 170 H ILE 23 H ILE 23 -3.471 6.324 12.469 171 HA ILE 23 HA ILE 23 -0.571 5.644 12.616 172 HB ILE 23 HB ILE 23 -0.195 7.849 11.461 173 HG12 ILE 23 HG12 ILE 23 -1.917 8.712 9.983 174 HG13 ILE 23 HG13 ILE 23 -3.119 7.601 10.623 175 HG21 ILE 23 HG21 ILE 23 -1.665 5.667 9.938 176 HG22 ILE 23 HG22 ILE 23 -0.531 6.856 9.265 177 HG23 ILE 23 HG23 ILE 23 0.048 5.642 10.408 178 HD11 ILE 23 HD11 ILE 23 -3.346 9.930 11.471 179 HD12 ILE 23 HD12 ILE 23 -3.108 8.749 12.772 180 HD13 ILE 23 HD13 ILE 23 -1.754 9.792 12.242 181 H ILE 24 H ILE 24 -2.611 6.315 14.867 182 HA ILE 24 HA ILE 24 -0.591 7.859 16.400 183 HB ILE 24 HB ILE 24 -3.426 8.223 17.258 184 HG12 ILE 24 HG12 ILE 24 -2.316 9.867 14.961 185 HG13 ILE 24 HG13 ILE 24 -3.684 8.735 14.901 186 HG21 ILE 24 HG21 ILE 24 -2.552 10.334 18.122 187 HG22 ILE 24 HG22 ILE 24 -1.459 9.047 18.579 188 HG23 ILE 24 HG23 ILE 24 -1.033 10.113 17.223 189 HD11 ILE 24 HD11 ILE 24 -3.644 11.352 16.434 190 HD12 ILE 24 HD12 ILE 24 -4.555 10.952 14.971 191 HD13 ILE 24 HD13 ILE 24 -4.943 10.132 16.495 192 H CYS 25 H CYS 25 -0.287 7.186 18.543 193 HA CYS 25 HA CYS 25 -1.335 4.616 19.431 194 HB2 CYS 25 HB2 CYS 25 0.082 6.867 20.910 195 HB3 CYS 25 HB3 CYS 25 -0.216 5.247 21.551 196 HG CYS 25 HG CYS 25 1.112 3.958 19.724 197 H SER 26 H SER 26 -2.708 4.290 21.300 198 HA SER 26 HA SER 26 -5.078 5.851 21.362 199 HB2 SER 26 HB2 SER 26 -4.105 3.879 23.475 200 HB3 SER 26 HB3 SER 26 -5.777 4.372 23.128 201 HG SER 26 HG SER 26 -5.612 3.308 21.196 202 H TYR 27 H TYR 27 -4.995 7.919 21.987 203 HA TYR 27 HA TYR 27 -5.118 9.704 23.290 204 HB2 TYR 27 HB2 TYR 27 -6.620 7.997 24.363 205 HB3 TYR 27 HB3 TYR 27 -5.380 7.734 25.573 206 HD1 TYR 27 HD2 TYR 27 -6.954 10.772 23.948 207 HD2 TYR 27 HD1 TYR 27 -6.042 8.686 27.619 208 HE1 TYR 27 HE2 TYR 27 -8.047 12.581 25.258 209 HE2 TYR 27 HE1 TYR 27 -7.163 10.485 28.914 210 HH TYR 27 HH TYR 27 -8.396 12.466 28.729 211 H CYS 28 H CYS 28 -2.212 8.228 23.442 212 HA CYS 28 HA CYS 28 -1.140 10.071 25.526 213 HB2 CYS 28 HB2 CYS 28 0.736 8.604 25.672 214 HB3 CYS 28 HB3 CYS 28 -0.745 7.642 25.756 215 HG CYS 28 HG CYS 28 0.945 6.289 24.389 216 H GLY 29 H GLY 29 -1.612 10.352 22.285 217 HA2 GLY 29 HA2 GLY 29 0.654 12.227 21.959 218 HA3 GLY 29 HA3 GLY 29 0.545 10.871 20.832 219 H ALA 30 H ALA 30 0.516 13.658 20.259 220 HA ALA 30 HA ALA 30 -2.226 14.187 19.230 221 HB1 ALA 30 HB1 ALA 30 -1.636 16.545 19.424 222 HB2 ALA 30 HB2 ALA 30 -1.378 15.721 20.970 223 HB3 ALA 30 HB3 ALA 30 0.011 16.121 19.925 224 H THR 31 H THR 31 0.027 12.661 17.916 225 HA THR 31 HA THR 31 0.870 12.186 15.937 226 HB THR 31 HB THR 31 -1.539 12.102 15.567 227 HG1 THR 31 HG1 THR 31 -0.003 12.640 13.317 228 HG21 THR 31 HG21 THR 31 -1.186 14.816 14.251 229 HG22 THR 31 HG22 THR 31 -2.462 13.677 13.768 230 HG23 THR 31 HG23 THR 31 -2.409 14.274 15.423 231 H ASP 32 H ASP 32 0.638 15.697 16.174 232 HA ASP 32 HA ASP 32 2.447 16.173 13.944 233 HB2 ASP 32 HB2 ASP 32 0.584 17.672 14.611 234 HB3 ASP 32 HB3 ASP 32 1.414 18.021 16.119 235 H ASP 33 H ASP 33 2.884 15.704 17.388 236 HA ASP 33 HA ASP 33 5.805 16.333 17.164 237 HB2 ASP 33 HB2 ASP 33 4.335 18.109 18.263 238 HB3 ASP 33 HB3 ASP 33 4.035 16.952 19.548 239 H HIS 34 H HIS 34 3.918 13.745 17.484 240 HA HIS 34 HA HIS 34 4.991 12.645 19.993 241 HB2 HIS 34 HB2 HIS 34 2.571 12.525 19.287 242 HB3 HIS 34 HB3 HIS 34 3.057 11.375 18.039 243 HD1 HIS 34 HD1 HIS 34 3.201 11.702 21.912 244 HD2 HIS 34 HD2 HIS 34 3.187 8.859 18.813 245 HE1 HIS 34 HE1 HIS 34 2.874 9.446 23.011 246 H TYR 35 H TYR 35 6.172 10.735 20.222 247 HA TYR 35 HA TYR 35 6.910 9.189 17.868 248 HB2 TYR 35 HB2 TYR 35 8.689 10.922 17.978 249 HB3 TYR 35 HB3 TYR 35 9.053 10.434 19.626 250 HD1 TYR 35 HD2 TYR 35 8.345 8.098 16.732 251 HD2 TYR 35 HD1 TYR 35 11.354 9.874 19.276 252 HE1 TYR 35 HE2 TYR 35 10.020 6.492 15.888 253 HE2 TYR 35 HE1 TYR 35 13.041 8.304 18.362 254 HH TYR 35 HH TYR 35 13.390 6.560 16.826 255 H SER 36 H SER 36 6.938 7.093 18.292 256 HA SER 36 HA SER 36 5.879 5.992 20.576 257 HB2 SER 36 HB2 SER 36 7.735 4.532 18.640 258 HB3 SER 36 HB3 SER 36 6.359 3.863 19.544 259 HG SER 36 HG SER 36 5.024 5.039 18.237 260 H ARG 37 H ARG 37 9.271 6.577 19.966 261 HA ARG 37 HA ARG 37 10.349 4.750 21.921 262 HB2 ARG 37 HB2 ARG 37 11.332 6.370 19.827 263 HB3 ARG 37 HB3 ARG 37 11.998 7.115 21.266 264 HG2 ARG 37 HG2 ARG 37 13.595 5.519 20.486 265 HG3 ARG 37 HG3 ARG 37 12.887 4.854 21.955 266 HD2 ARG 37 HD2 ARG 37 13.129 3.114 20.262 267 HD3 ARG 37 HD3 ARG 37 11.421 3.387 20.608 268 HE ARG 37 HE ARG 37 12.528 4.876 18.304 269 HH11 ARG 37 HH11 ARG 37 10.832 1.931 19.209 270 HH12 ARG 37 HH12 ARG 37 10.180 1.727 17.592 271 HH21 ARG 37 HH21 ARG 37 11.674 4.550 16.335 272 HH22 ARG 37 HH22 ARG 37 10.647 3.177 15.991 273 H HIS 38 H HIS 38 8.959 7.894 22.267 274 HA HIS 38 HA HIS 38 9.879 8.020 25.119 275 HB2 HIS 38 HB2 HIS 38 9.327 10.346 23.251 276 HB3 HIS 38 HB3 HIS 38 9.911 10.439 24.910 277 HD1 HIS 38 HD1 HIS 38 12.397 8.732 25.061 278 HD2 HIS 38 HD2 HIS 38 11.253 10.765 21.571 279 HE1 HIS 38 HE1 HIS 38 14.485 8.922 23.634 280 H CYS 39 H CYS 39 7.119 8.135 23.014 281 HA CYS 39 HA CYS 39 4.976 8.488 23.247 282 HB2 CYS 39 HB2 CYS 39 5.501 6.662 25.552 283 HB3 CYS 39 HB3 CYS 39 3.857 7.186 25.113 284 HG CYS 39 HG CYS 39 6.091 5.694 23.189 285 HA PRO 40 HA PRO 40 2.830 10.943 26.245 286 HB2 PRO 40 HB2 PRO 40 3.353 11.256 28.932 287 HB3 PRO 40 HB3 PRO 40 2.411 9.917 28.224 288 HG2 PRO 40 HG2 PRO 40 5.368 9.927 28.918 289 HG3 PRO 40 HG3 PRO 40 4.127 8.717 29.381 290 HD2 PRO 40 HD2 PRO 40 5.694 8.255 27.262 291 HD3 PRO 40 HD3 PRO 40 3.941 7.925 27.157 292 H LYS 41 H LYS 41 3.483 12.617 25.110 293 HA LYS 41 HA LYS 41 5.196 14.717 26.390 294 HB2 LYS 41 HB2 LYS 41 6.215 13.340 24.473 295 HB3 LYS 41 HB3 LYS 41 5.052 14.127 23.409 296 HG2 LYS 41 HG2 LYS 41 6.023 16.345 24.035 297 HG3 LYS 41 HG3 LYS 41 7.160 15.518 25.125 298 HD2 LYS 41 HD2 LYS 41 8.046 14.244 23.153 299 HD3 LYS 41 HD3 LYS 41 6.987 15.176 22.098 300 HE2 LYS 41 HE2 LYS 41 9.245 16.260 23.844 301 HE3 LYS 41 HE3 LYS 41 9.284 16.036 22.099 302 HZ1 LYS 41 HZ1 LYS 41 7.558 17.968 23.545 303 HZ2 LYS 41 HZ2 LYS 41 8.808 18.321 22.537 304 HZ3 LYS 41 HZ3 LYS 41 7.447 17.652 21.960 305 H ALA 42 H ALA 42 2.172 13.963 24.992 306 HA ALA 42 HA ALA 42 1.344 16.827 24.901 307 HB1 ALA 42 HB1 ALA 42 0.133 16.361 22.821 308 HB2 ALA 42 HB2 ALA 42 1.846 15.976 22.609 309 HB3 ALA 42 HB3 ALA 42 0.671 14.667 22.856 310 H ILE 43 H ILE 43 -1.153 16.850 24.652 311 HA ILE 43 HA ILE 43 -3.190 16.610 25.543 312 HB ILE 43 HB ILE 43 -2.490 13.668 25.664 313 HG12 ILE 43 HG12 ILE 43 -4.164 15.225 23.642 314 HG13 ILE 43 HG13 ILE 43 -2.454 14.896 23.401 315 HG21 ILE 43 HG21 ILE 43 -4.959 13.298 25.740 316 HG22 ILE 43 HG22 ILE 43 -4.353 14.070 27.194 317 HG23 ILE 43 HG23 ILE 43 -5.195 15.043 25.965 318 HD11 ILE 43 HD11 ILE 43 -2.872 12.465 23.511 319 HD12 ILE 43 HD12 ILE 43 -4.625 12.783 23.604 320 HD13 ILE 43 HD13 ILE 43 -3.708 13.281 22.174 321 H GLN 44 H GLN 44 -1.575 14.265 27.703 322 HA GLN 44 HA GLN 44 -2.314 15.667 30.135 323 HB2 GLN 44 HB2 GLN 44 -0.631 14.159 31.206 324 HB3 GLN 44 HB3 GLN 44 -1.851 13.308 30.289 325 HG2 GLN 44 HG2 GLN 44 0.203 12.211 29.929 326 HG3 GLN 44 HG3 GLN 44 -0.242 12.979 28.421 327 HE21 GLN 44 HE22 GLN 44 1.435 14.128 27.458 328 HE22 GLN 44 HE21 GLN 44 2.895 14.664 28.301 329 H CYS 45 H CYS 45 -0.747 16.598 31.636 330 HA CYS 45 HA CYS 45 1.596 17.953 30.349 331 HB2 CYS 45 HB2 CYS 45 0.149 19.691 31.100 332 HB3 CYS 45 HB3 CYS 45 -0.211 18.851 32.615 333 HG CYS 45 HG CYS 45 2.777 19.973 31.660 334 H SER 46 H SER 46 3.479 17.114 30.949 335 HA SER 46 HA SER 46 5.046 15.809 32.020 336 HB2 SER 46 HB2 SER 46 4.191 17.837 34.086 337 HB3 SER 46 HB3 SER 46 5.780 17.047 33.984 338 HG SER 46 HG SER 46 5.700 19.040 32.849 339 H LYS 47 H LYS 47 2.802 14.256 32.206 340 HA LYS 47 HA LYS 47 1.766 12.564 33.210 341 HB2 LYS 47 HB2 LYS 47 4.409 12.211 34.652 342 HB3 LYS 47 HB3 LYS 47 3.138 10.992 34.489 343 HG2 LYS 47 HG2 LYS 47 3.387 11.081 32.001 344 HG3 LYS 47 HG3 LYS 47 4.690 12.257 32.182 345 HD2 LYS 47 HD2 LYS 47 5.670 10.110 31.808 346 HD3 LYS 47 HD3 LYS 47 6.016 10.597 33.473 347 HE2 LYS 47 HE2 LYS 47 4.186 9.142 34.288 348 HE3 LYS 47 HE3 LYS 47 3.770 8.714 32.632 349 HZ1 LYS 47 HZ1 LYS 47 5.153 7.017 33.660 350 HZ2 LYS 47 HZ2 LYS 47 5.966 7.681 32.415 351 HZ3 LYS 47 HZ3 LYS 47 6.351 8.082 33.953 352 H CYS 48 H CYS 48 1.356 15.181 34.567 353 HA CYS 48 HA CYS 48 0.638 14.290 37.283 354 HB2 CYS 48 HB2 CYS 48 -0.111 16.472 37.765 355 HB3 CYS 48 HB3 CYS 48 1.496 16.544 37.057 356 HG CYS 48 HG CYS 48 0.764 17.323 34.704 357 H ASP 49 H ASP 49 -1.309 15.566 34.524 358 HA ASP 49 HA ASP 49 -3.176 13.330 34.704 359 HB2 ASP 49 HB2 ASP 49 -4.052 16.170 35.400 360 HB3 ASP 49 HB3 ASP 49 -5.167 14.975 34.781 361 H GLU 50 H GLU 50 -4.878 13.557 33.020 362 HA GLU 50 HA GLU 50 -3.882 13.584 30.430 363 HB2 GLU 50 HB2 GLU 50 -6.109 13.041 29.791 364 HB3 GLU 50 HB3 GLU 50 -5.759 12.296 31.348 365 HG2 GLU 50 HG2 GLU 50 -6.957 14.299 32.430 366 HG3 GLU 50 HG3 GLU 50 -7.503 14.731 30.816 367 H VAL 51 H VAL 51 -4.093 16.297 31.892 368 HA VAL 51 HA VAL 51 -4.116 18.201 29.770 369 HB VAL 51 HB VAL 51 -5.972 19.625 30.859 370 HG11 VAL 51 HG11 VAL 51 -7.648 18.912 29.356 371 HG12 VAL 51 HG12 VAL 51 -6.097 18.554 28.572 372 HG13 VAL 51 HG13 VAL 51 -7.044 17.249 29.316 373 HG21 VAL 51 HG21 VAL 51 -6.453 18.220 32.843 374 HG22 VAL 51 HG22 VAL 51 -7.895 18.404 31.832 375 HG23 VAL 51 HG23 VAL 51 -6.979 16.894 31.787 376 H GLY 52 H GLY 52 -4.402 17.390 33.172 377 HA2 GLY 52 HA2 GLY 52 -2.669 17.761 34.738 378 HA3 GLY 52 HA3 GLY 52 -2.205 19.242 33.913 379 H HIS 53 H HIS 53 -2.275 20.299 35.922 380 HA HIS 53 HA HIS 53 -4.681 20.546 37.541 381 HB2 HIS 53 HB2 HIS 53 -3.150 22.210 38.785 382 HB3 HIS 53 HB3 HIS 53 -2.805 20.492 38.818 383 HD1 HIS 53 HD1 HIS 53 -1.441 23.636 37.020 384 HD2 HIS 53 HD2 HIS 53 -0.492 19.653 37.949 385 HE1 HIS 53 HE1 HIS 53 0.989 23.285 36.324 386 H TYR 54 H TYR 54 -5.798 21.126 35.541 387 HA TYR 54 HA TYR 54 -6.982 22.462 34.213 388 HB2 TYR 54 HB2 TYR 54 -7.973 22.713 36.459 389 HB3 TYR 54 HB3 TYR 54 -7.058 24.189 36.705 390 HD1 TYR 54 HD1 TYR 54 -9.173 22.741 33.907 391 HD2 TYR 54 HD2 TYR 54 -8.481 26.073 36.566 392 HE1 TYR 54 HE1 TYR 54 -11.010 24.005 32.815 393 HE2 TYR 54 HE2 TYR 54 -10.323 27.322 35.472 394 HH TYR 54 HH TYR 54 -11.950 27.241 33.788 395 H ARG 55 H ARG 55 -6.748 25.601 34.962 396 HA ARG 55 HA ARG 55 -5.808 27.444 33.960 397 HB2 ARG 55 HB2 ARG 55 -3.327 25.834 34.645 398 HB3 ARG 55 HB3 ARG 55 -3.356 27.572 34.331 399 HG2 ARG 55 HG2 ARG 55 -4.709 28.011 36.269 400 HG3 ARG 55 HG3 ARG 55 -5.010 26.291 36.551 401 HD2 ARG 55 HD2 ARG 55 -2.587 25.933 36.979 402 HD3 ARG 55 HD3 ARG 55 -2.304 27.653 36.728 403 HE ARG 55 HE ARG 55 -3.117 28.122 38.831 404 HH11 ARG 55 HH11 ARG 55 -4.116 24.796 38.170 405 HH12 ARG 55 HH12 ARG 55 -4.722 24.580 39.793 406 HH21 ARG 55 HH21 ARG 55 -3.930 27.748 40.857 407 HH22 ARG 55 HH22 ARG 55 -4.602 26.184 41.257 408 H SER 56 H SER 56 -6.843 25.995 32.030 409 HA SER 56 HA SER 56 -6.852 25.408 29.828 410 HB2 SER 56 HB2 SER 56 -5.096 27.861 29.674 411 HB3 SER 56 HB3 SER 56 -5.996 27.128 28.327 412 HG SER 56 HG SER 56 -7.235 28.710 29.402 413 H GLN 57 H GLN 57 -5.650 23.501 30.630 414 HA GLN 57 HA GLN 57 -4.174 21.842 30.400 415 HB2 GLN 57 HB2 GLN 57 -3.485 23.057 27.711 416 HB3 GLN 57 HB3 GLN 57 -3.136 21.413 28.252 417 HG2 GLN 57 HG2 GLN 57 -5.579 20.976 28.481 418 HG3 GLN 57 HG3 GLN 57 -5.920 22.591 27.858 419 HE21 GLN 57 HE22 GLN 57 -7.131 20.719 26.417 420 HE22 GLN 57 HE21 GLN 57 -6.251 20.392 24.929 421 H CYS 58 H CYS 58 -3.371 23.788 32.008 422 HA CYS 58 HA CYS 58 -1.786 24.554 33.289 423 HB2 CYS 58 HB2 CYS 58 -0.085 22.422 31.974 424 HB3 CYS 58 HB3 CYS 58 0.372 23.300 33.439 425 HG CYS 58 HG CYS 58 -2.310 21.489 32.864 426 HA PRO 59 HA PRO 59 0.533 27.794 31.407 427 HB2 PRO 59 HB2 PRO 59 2.205 28.606 33.406 428 HB3 PRO 59 HB3 PRO 59 0.432 28.838 33.462 429 HG2 PRO 59 HG2 PRO 59 2.047 26.597 34.719 430 HG3 PRO 59 HG3 PRO 59 0.803 27.632 35.493 431 HD2 PRO 59 HD2 PRO 59 0.207 25.171 34.526 432 HD3 PRO 59 HD3 PRO 59 -0.947 26.525 34.372 433 H HIS 60 H HIS 60 2.578 28.380 30.541 434 HA HIS 60 HA HIS 60 4.257 26.141 29.796 435 HB2 HIS 60 HB2 HIS 60 5.378 27.789 28.365 436 HB3 HIS 60 HB3 HIS 60 3.632 27.822 28.183 437 HD1 HIS 60 HD1 HIS 60 6.425 29.938 29.837 438 HD2 HIS 60 HD2 HIS 60 2.414 30.130 28.607 439 HE1 HIS 60 HE1 HIS 60 5.707 32.354 30.131 440 H LYS 61 H LYS 61 4.449 28.310 32.408 441 HA LYS 61 HA LYS 61 7.187 27.346 33.107 442 HB2 LYS 61 HB2 LYS 61 7.301 29.734 32.477 443 HB3 LYS 61 HB3 LYS 61 6.044 30.116 33.656 444 HG2 LYS 61 HG2 LYS 61 7.527 29.342 35.493 445 HG3 LYS 61 HG3 LYS 61 8.777 28.925 34.306 446 HD2 LYS 61 HD2 LYS 61 8.922 31.303 33.622 447 HD3 LYS 61 HD3 LYS 61 7.650 31.719 34.790 448 HE2 LYS 61 HE2 LYS 61 9.079 30.872 36.634 449 HE3 LYS 61 HE3 LYS 61 10.340 30.465 35.475 450 HZ1 LYS 61 HZ1 LYS 61 10.775 32.600 36.512 451 HZ2 LYS 61 HZ2 LYS 61 10.500 32.839 34.925 452 HZ3 LYS 61 HZ3 LYS 61 9.345 33.206 36.025 453 H TRP 62 H TRP 62 7.202 26.217 34.959 454 HA TRP 62 HA TRP 62 5.184 26.658 37.055 455 HB2 TRP 62 HB2 TRP 62 4.144 25.175 35.262 456 HB3 TRP 62 HB3 TRP 62 5.356 23.967 35.658 457 HD1 TRP 62 HD1 TRP 62 4.570 22.272 37.380 458 HE1 TRP 62 HE1 TRP 62 2.792 22.125 39.204 459 HE3 TRP 62 HE3 TRP 62 2.744 27.041 37.114 460 HZ2 TRP 62 HZ2 TRP 62 0.836 23.845 40.424 461 HZ3 TRP 62 HZ3 TRP 62 0.906 27.755 38.620 462 HH2 TRP 62 HH2 TRP 62 -0.059 26.172 40.268 463 H LYS 63 H LYS 63 5.381 24.986 38.792 464 HA LYS 63 HA LYS 63 8.048 24.993 39.903 465 HB2 LYS 63 HB2 LYS 63 5.818 25.302 41.120 466 HB3 LYS 63 HB3 LYS 63 5.506 23.601 40.855 467 HG2 LYS 63 HG2 LYS 63 6.259 23.857 43.097 468 HG3 LYS 63 HG3 LYS 63 7.531 23.031 42.226 469 HD2 LYS 63 HD2 LYS 63 8.547 24.658 43.682 470 HD3 LYS 63 HD3 LYS 63 8.786 25.191 42.029 471 HE2 LYS 63 HE2 LYS 63 8.226 27.105 43.342 472 HE3 LYS 63 HE3 LYS 63 6.868 26.784 42.279 473 HZ1 LYS 63 HZ1 LYS 63 7.006 26.007 45.145 474 HZ2 LYS 63 HZ2 LYS 63 6.169 27.270 44.559 475 HZ3 LYS 63 HZ3 LYS 63 5.716 25.756 44.171 476 H LYS 64 H LYS 64 9.311 23.262 40.489 477 HA LYS 64 HA LYS 64 9.486 20.897 38.836 478 HB2 LYS 64 HB2 LYS 64 11.344 22.153 39.980 479 HB3 LYS 64 HB3 LYS 64 10.778 21.533 41.527 480 HG2 LYS 64 HG2 LYS 64 11.347 19.246 40.864 481 HG3 LYS 64 HG3 LYS 64 11.702 19.788 39.210 482 HD2 LYS 64 HD2 LYS 64 13.563 21.193 40.098 483 HD3 LYS 64 HD3 LYS 64 13.212 20.597 41.735 484 HE2 LYS 64 HE2 LYS 64 13.637 18.286 40.993 485 HE3 LYS 64 HE3 LYS 64 13.926 18.841 39.351 486 HZ1 LYS 64 HZ1 LYS 64 15.603 19.395 41.721 487 HZ2 LYS 64 HZ2 LYS 64 16.013 18.528 40.431 488 HZ3 LYS 64 HZ3 LYS 64 15.837 20.148 40.279 489 H VAL 65 H VAL 65 9.494 18.655 39.753 490 HA VAL 65 HA VAL 65 7.151 17.880 41.255 491 HB VAL 65 HB VAL 65 8.317 15.706 41.571 492 HG11 VAL 65 HG11 VAL 65 8.274 15.047 39.224 493 HG12 VAL 65 HG12 VAL 65 6.932 16.139 39.585 494 HG13 VAL 65 HG13 VAL 65 8.351 16.748 38.710 495 HG21 VAL 65 HG21 VAL 65 10.583 16.948 39.946 496 HG22 VAL 65 HG22 VAL 65 10.668 16.472 41.654 497 HG23 VAL 65 HG23 VAL 65 10.414 15.243 40.404 498 H GLN 66 H GLN 66 7.100 16.920 43.420 499 HA GLN 66 HA GLN 66 7.959 18.861 45.294 500 HB2 GLN 66 HB2 GLN 66 6.831 16.065 45.707 501 HB3 GLN 66 HB3 GLN 66 7.062 17.245 46.997 502 HG2 GLN 66 HG2 GLN 66 5.564 18.843 45.819 503 HG3 GLN 66 HG3 GLN 66 5.275 17.642 44.558 504 HE21 GLN 66 HE22 GLN 66 4.807 18.293 48.076 505 HE22 GLN 66 HE21 GLN 66 3.456 17.175 48.227 506 H CYS 67 H CYS 67 9.659 15.998 44.252 507 HA CYS 67 HA CYS 67 11.554 16.083 46.504 508 HB2 CYS 67 HB2 CYS 67 11.708 14.460 43.947 509 HB3 CYS 67 HB3 CYS 67 12.579 14.180 45.458 510 HG CYS 67 HG CYS 67 10.440 13.792 46.928 511 H THR 68 H THR 68 13.439 17.121 46.533 512 HA THR 68 HA THR 68 14.310 18.947 44.528 513 HB THR 68 HB THR 68 14.883 19.142 46.873 514 HG1 THR 68 HG1 THR 68 16.993 19.697 46.444 515 HG21 THR 68 HG21 THR 68 15.318 16.685 47.385 516 HG22 THR 68 HG22 THR 68 16.868 16.851 46.534 517 HG23 THR 68 HG23 THR 68 16.534 17.803 47.993 518 H LEU 69 H LEU 69 15.030 15.546 44.985 519 HA LEU 69 HA LEU 69 17.159 15.595 42.941 520 HB2 LEU 69 HB2 LEU 69 18.044 13.664 43.898 521 HB3 LEU 69 HB3 LEU 69 17.739 14.803 45.187 522 HG LEU 69 HG LEU 69 15.843 12.480 44.563 523 HD11 LEU 69 HD11 LEU 69 16.985 11.272 46.388 524 HD12 LEU 69 HD12 LEU 69 18.085 11.599 45.041 525 HD13 LEU 69 HD13 LEU 69 18.177 12.583 46.516 526 HD21 LEU 69 HD21 LEU 69 16.263 14.170 47.070 527 HD22 LEU 69 HD22 LEU 69 14.813 14.189 46.027 528 HD23 LEU 69 HD23 LEU 69 15.212 12.749 46.958 529 H CYS 70 H CYS 70 14.196 15.453 42.299 530 HA CYS 70 HA CYS 70 14.410 13.207 40.346 531 HB2 CYS 70 HB2 CYS 70 11.884 14.054 41.822 532 HB3 CYS 70 HB3 CYS 70 12.005 12.791 40.598 533 HG CYS 70 HG CYS 70 13.698 11.284 41.908 534 H LYS 71 H LYS 71 13.240 13.561 38.351 535 HA LYS 71 HA LYS 71 11.876 16.107 37.917 536 HB2 LYS 71 HB2 LYS 71 14.223 16.714 37.422 537 HB3 LYS 71 HB3 LYS 71 14.343 15.390 36.275 538 HG2 LYS 71 HG2 LYS 71 14.062 17.465 35.095 539 HG3 LYS 71 HG3 LYS 71 12.628 16.477 34.837 540 HD2 LYS 71 HD2 LYS 71 11.418 17.808 36.579 541 HD3 LYS 71 HD3 LYS 71 12.853 18.814 36.801 542 HE2 LYS 71 HE2 LYS 71 11.302 18.477 34.198 543 HE3 LYS 71 HE3 LYS 71 11.055 19.788 35.337 544 HZ1 LYS 71 HZ1 LYS 71 13.580 19.285 33.863 545 HZ2 LYS 71 HZ2 LYS 71 12.518 20.479 33.562 546 HZ3 LYS 71 HZ3 LYS 71 13.357 20.486 34.954 547 H SER 72 H SER 72 10.049 15.491 37.111 548 HA SER 72 HA SER 72 8.396 14.522 35.928 549 HB2 SER 72 HB2 SER 72 10.476 14.619 33.741 550 HB3 SER 72 HB3 SER 72 8.713 14.676 33.550 551 HG SER 72 HG SER 72 9.546 16.758 33.646 552 H LYS 73 H LYS 73 10.392 12.391 37.017 553 HA LYS 73 HA LYS 73 9.060 10.060 35.752 554 HB2 LYS 73 HB2 LYS 73 12.077 10.380 36.082 555 HB3 LYS 73 HB3 LYS 73 11.262 8.853 35.746 556 HG2 LYS 73 HG2 LYS 73 10.358 9.817 33.628 557 HG3 LYS 73 HG3 LYS 73 11.291 11.298 33.930 558 HD2 LYS 73 HD2 LYS 73 13.397 9.974 33.907 559 HD3 LYS 73 HD3 LYS 73 12.462 8.498 33.668 560 HE2 LYS 73 HE2 LYS 73 13.288 9.081 31.537 561 HE3 LYS 73 HE3 LYS 73 11.570 9.444 31.523 562 HZ1 LYS 73 HZ1 LYS 73 12.903 11.224 30.532 563 HZ2 LYS 73 HZ2 LYS 73 12.131 11.793 31.850 564 HZ3 LYS 73 HZ3 LYS 73 13.730 11.446 31.916 565 H LYS 74 H LYS 74 9.022 8.200 37.059 566 HA LYS 74 HA LYS 74 9.003 8.813 39.927 567 HB2 LYS 74 HB2 LYS 74 7.067 7.730 38.788 568 HB3 LYS 74 HB3 LYS 74 8.059 6.315 38.470 569 HG2 LYS 74 HG2 LYS 74 6.550 5.972 40.363 570 HG3 LYS 74 HG3 LYS 74 8.223 5.844 40.873 571 HD2 LYS 74 HD2 LYS 74 8.060 8.254 41.734 572 HD3 LYS 74 HD3 LYS 74 6.342 8.218 41.291 573 HE2 LYS 74 HE2 LYS 74 5.986 6.336 42.837 574 HE3 LYS 74 HE3 LYS 74 7.705 6.280 43.199 575 HZ1 LYS 74 HZ1 LYS 74 6.522 7.501 44.873 576 HZ2 LYS 74 HZ2 LYS 74 7.538 8.516 44.128 577 HZ3 LYS 74 HZ3 LYS 74 5.920 8.574 43.808 578 H HIS 75 H HIS 75 9.783 7.311 41.509 579 HA HIS 75 HA HIS 75 12.426 6.072 40.909 580 HB2 HIS 75 HB2 HIS 75 13.363 7.368 42.785 581 HB3 HIS 75 HB3 HIS 75 12.728 8.453 41.557 582 HD1 HIS 75 HD1 HIS 75 11.973 7.312 45.160 583 HD2 HIS 75 HD2 HIS 75 10.441 9.812 42.152 584 HE1 HIS 75 HE1 HIS 75 10.085 8.608 46.214 585 H SER 76 H SER 76 13.273 5.168 43.110 586 HA SER 76 HA SER 76 11.086 3.746 44.576 587 HB2 SER 76 HB2 SER 76 12.371 2.245 43.167 588 HB3 SER 76 HB3 SER 76 13.880 2.787 43.920 589 HG SER 76 HG SER 76 12.971 0.910 44.908 590 H LYS 77 H LYS 77 11.768 3.018 46.722 591 HA LYS 77 HA LYS 77 12.443 5.183 48.497 592 HB2 LYS 77 HB2 LYS 77 12.044 3.592 50.258 593 HB3 LYS 77 HB3 LYS 77 10.788 3.474 49.033 594 HG2 LYS 77 HG2 LYS 77 11.988 1.449 48.083 595 HG3 LYS 77 HG3 LYS 77 13.095 1.519 49.454 596 HD2 LYS 77 HD2 LYS 77 10.068 1.167 49.584 597 HD3 LYS 77 HD3 LYS 77 11.236 -0.129 49.750 598 HE2 LYS 77 HE2 LYS 77 11.017 2.249 51.647 599 HE3 LYS 77 HE3 LYS 77 10.235 0.701 51.897 600 HZ1 LYS 77 HZ1 LYS 77 12.319 0.799 53.092 601 HZ2 LYS 77 HZ2 LYS 77 12.411 -0.359 51.955 602 HZ3 LYS 77 HZ3 LYS 77 13.173 1.073 51.731 603 H GLU 78 H GLU 78 14.449 2.836 46.923 604 HA GLU 78 HA GLU 78 16.740 3.096 48.677 605 HB2 GLU 78 HB2 GLU 78 18.004 2.067 46.953 606 HB3 GLU 78 HB3 GLU 78 16.437 1.266 47.020 607 HG2 GLU 78 HG2 GLU 78 15.699 2.699 45.072 608 HG3 GLU 78 HG3 GLU 78 17.334 3.334 44.968 609 H ARG 79 H ARG 79 15.394 5.180 46.214 610 HA ARG 79 HA ARG 79 17.717 7.034 46.294 611 HB2 ARG 79 HB2 ARG 79 16.729 6.459 44.092 612 HB3 ARG 79 HB3 ARG 79 15.189 7.161 44.596 613 HG2 ARG 79 HG2 ARG 79 16.293 9.371 44.889 614 HG3 ARG 79 HG3 ARG 79 17.850 8.648 44.443 615 HD2 ARG 79 HD2 ARG 79 16.838 8.044 42.201 616 HD3 ARG 79 HD3 ARG 79 15.385 8.907 42.679 617 HE ARG 79 HE ARG 79 16.456 10.953 42.356 618 HH11 ARG 79 HH11 ARG 79 18.939 8.464 42.131 619 HH12 ARG 79 HH12 ARG 79 20.103 9.599 41.476 620 HH21 ARG 79 HH21 ARG 79 17.936 12.264 41.535 621 HH22 ARG 79 HH22 ARG 79 19.557 11.724 41.145 622 H CYS 80 H CYS 80 14.166 7.193 46.753 623 HA CYS 80 HA CYS 80 14.460 8.383 49.308 624 HB2 CYS 80 HB2 CYS 80 13.268 10.550 48.861 625 HB3 CYS 80 HB3 CYS 80 14.882 10.457 48.156 626 HG CYS 80 HG CYS 80 14.059 9.744 45.753 627 HA PRO 81 HA PRO 81 10.980 6.241 50.139 628 HB2 PRO 81 HB2 PRO 81 9.690 8.557 51.576 629 HB3 PRO 81 HB3 PRO 81 9.925 6.873 52.137 630 HG2 PRO 81 HG2 PRO 81 11.618 8.798 52.972 631 HG3 PRO 81 HG3 PRO 81 12.285 7.229 52.411 632 HD2 PRO 81 HD2 PRO 81 12.050 9.826 50.868 633 HD3 PRO 81 HD3 PRO 81 13.454 8.734 51.033 634 H SER 82 H SER 82 8.929 5.563 49.713 635 HA SER 82 HA SER 82 6.912 7.285 48.479 636 HB2 SER 82 HB2 SER 82 8.532 6.492 46.647 637 HB3 SER 82 HB3 SER 82 7.884 4.866 46.933 638 HG SER 82 HG SER 82 6.047 5.515 46.105 639 H ILE 83 H ILE 83 4.828 6.118 48.254 640 HA ILE 83 HA ILE 83 4.329 4.483 50.585 641 HB ILE 83 HB ILE 83 1.962 4.446 49.771 642 HG12 ILE 83 HG12 ILE 83 1.254 6.110 48.124 643 HG13 ILE 83 HG13 ILE 83 2.917 6.439 47.664 644 HG21 ILE 83 HG21 ILE 83 3.291 7.164 50.083 645 HG22 ILE 83 HG22 ILE 83 1.595 6.767 50.412 646 HG23 ILE 83 HG23 ILE 83 2.868 6.053 51.401 647 HD11 ILE 83 HD11 ILE 83 1.623 4.967 46.086 648 HD12 ILE 83 HD12 ILE 83 3.129 4.238 46.650 649 HD13 ILE 83 HD13 ILE 83 1.565 3.723 47.345 650 H TRP 84 H TRP 84 3.001 2.500 50.579 651 HA TRP 84 HA TRP 84 3.941 0.513 48.562 652 HB2 TRP 84 HB2 TRP 84 4.647 -0.963 50.317 653 HB3 TRP 84 HB3 TRP 84 5.461 0.573 50.523 654 HD1 TRP 84 HD1 TRP 84 3.071 -1.791 52.223 655 HE1 TRP 84 HE1 TRP 84 2.481 -0.981 54.568 656 HE3 TRP 84 HE3 TRP 84 5.266 2.833 52.067 657 HZ2 TRP 84 HZ2 TRP 84 2.810 1.391 56.155 658 HZ3 TRP 84 HZ3 TRP 84 5.077 4.360 54.017 659 HH2 TRP 84 HH2 TRP 84 3.849 3.657 56.052 660 H ARG 85 H ARG 85 2.806 -1.476 48.555 661 HA ARG 85 HA ARG 85 0.130 -1.610 49.879 662 HB2 ARG 85 HB2 ARG 85 0.801 -1.933 46.930 663 HB3 ARG 85 HB3 ARG 85 -0.618 -2.702 47.597 664 HG2 ARG 85 HG2 ARG 85 -0.079 0.285 47.564 665 HG3 ARG 85 HG3 ARG 85 -1.210 -0.607 46.556 666 HD2 ARG 85 HD2 ARG 85 -1.394 -0.060 49.532 667 HD3 ARG 85 HD3 ARG 85 -2.488 0.475 48.277 668 HE ARG 85 HE ARG 85 -2.477 -2.096 49.661 669 HH11 ARG 85 HH12 ARG 85 -3.623 -0.570 46.707 670 HH12 ARG 85 HH11 ARG 85 -4.808 -1.828 46.425 671 HH21 ARG 85 HH21 ARG 85 -3.986 -3.640 49.243 672 HH22 ARG 85 HH22 ARG 85 -5.016 -3.515 47.840 673 H ALA 86 H ALA 86 2.929 -3.023 50.071 674 HA ALA 86 HA ALA 86 3.772 -5.054 50.530 675 HB1 ALA 86 HB1 ALA 86 0.959 -5.850 51.331 676 HB2 ALA 86 HB2 ALA 86 2.483 -6.540 51.909 677 HB3 ALA 86 HB3 ALA 86 2.059 -4.869 52.325 678 H TYR 87 H TYR 87 2.426 -4.645 47.773 679 HA TYR 87 HA TYR 87 1.780 -7.343 46.918 680 HB2 TYR 87 HB2 TYR 87 0.734 -5.022 46.289 681 HB3 TYR 87 HB3 TYR 87 2.019 -4.954 45.102 682 HD1 TYR 87 HD1 TYR 87 -0.844 -7.025 46.346 683 HD2 TYR 87 HD2 TYR 87 1.723 -6.094 43.010 684 HE1 TYR 87 HE1 TYR 87 -2.320 -8.349 44.846 685 HE2 TYR 87 HE2 TYR 87 0.241 -7.422 41.507 686 HH TYR 87 HH TYR 87 -2.652 -9.052 42.639 687 H ILE 88 H ILE 88 4.632 -6.461 47.648 688 HA ILE 88 HA ILE 88 6.750 -6.955 47.213 689 HB ILE 88 HB ILE 88 5.748 -8.990 45.215 690 HG12 ILE 88 HG12 ILE 88 6.327 -9.258 48.203 691 HG13 ILE 88 HG13 ILE 88 4.724 -9.274 47.473 692 HG21 ILE 88 HG21 ILE 88 8.391 -8.803 46.733 693 HG22 ILE 88 HG22 ILE 88 7.914 -10.098 45.613 694 HG23 ILE 88 HG23 ILE 88 8.181 -8.479 45.000 695 HD11 ILE 88 HD11 ILE 88 5.302 -11.527 47.940 696 HD12 ILE 88 HD12 ILE 88 5.358 -11.325 46.179 697 HD13 ILE 88 HD13 ILE 88 6.867 -11.394 47.129 698 H LEU 89 H LEU 89 7.838 -5.318 46.532 699 HA LEU 89 HA LEU 89 7.795 -4.390 43.735 700 HB2 LEU 89 HB2 LEU 89 8.385 -3.205 46.289 701 HB3 LEU 89 HB3 LEU 89 9.873 -3.197 45.385 702 HG LEU 89 HG LEU 89 8.691 -1.117 45.120 703 HD11 LEU 89 HD11 LEU 89 8.676 -0.870 42.731 704 HD12 LEU 89 HD12 LEU 89 9.990 -1.965 43.170 705 HD13 LEU 89 HD13 LEU 89 8.477 -2.610 42.472 706 HD21 LEU 89 HD21 LEU 89 6.387 -1.952 45.475 707 HD22 LEU 89 HD22 LEU 89 6.526 -0.903 44.055 708 HD23 LEU 89 HD23 LEU 89 6.394 -2.662 43.846 709 H VAL 90 H VAL 90 9.776 -4.167 42.500 710 HA VAL 90 HA VAL 90 11.538 -6.545 42.753 711 HB VAL 90 HB VAL 90 12.256 -6.023 40.455 712 HG11 VAL 90 HG11 VAL 90 10.457 -7.645 40.922 713 HG12 VAL 90 HG12 VAL 90 9.247 -6.353 40.768 714 HG13 VAL 90 HG13 VAL 90 10.232 -6.827 39.368 715 HG21 VAL 90 HG21 VAL 90 10.999 -4.486 39.050 716 HG22 VAL 90 HG22 VAL 90 10.005 -3.961 40.421 717 HG23 VAL 90 HG23 VAL 90 11.744 -3.587 40.377 718 H ASP 91 H ASP 91 13.750 -6.469 42.708 719 HA ASP 91 HA ASP 91 15.081 -3.826 43.195 720 HB2 ASP 91 HB2 ASP 91 15.656 -6.561 44.379 721 HB3 ASP 91 HB3 ASP 91 16.735 -5.186 44.527 722 H ASP 92 H ASP 92 14.768 -6.157 40.855 723 HA ASP 92 HA ASP 92 17.577 -6.317 40.006 724 HB2 ASP 92 HB2 ASP 92 15.014 -7.321 38.733 725 HB3 ASP 92 HB3 ASP 92 16.631 -7.601 38.104 726 H ASN 93 H ASN 93 18.524 -5.293 38.285 727 HA ASN 93 HA ASN 93 17.215 -2.852 37.304 728 HB2 ASN 93 HB2 ASN 93 19.392 -2.223 36.491 729 HB3 ASN 93 HB3 ASN 93 19.505 -2.759 38.159 730 HD21 ASN 93 HD22 ASN 93 20.889 -4.520 38.639 731 HD22 ASN 93 HD21 ASN 93 21.778 -5.372 37.383 732 H GLU 94 H GLU 94 17.521 -6.039 36.087 733 HA GLU 94 HA GLU 94 17.457 -5.298 33.249 734 HB2 GLU 94 HB2 GLU 94 17.300 -8.002 34.615 735 HB3 GLU 94 HB3 GLU 94 17.339 -7.734 32.864 736 HG2 GLU 94 HG2 GLU 94 19.525 -6.537 33.136 737 HG3 GLU 94 HG3 GLU 94 19.525 -6.983 34.837 738 H LYS 95 H LYS 95 15.479 -3.950 34.073 739 HA LYS 95 HA LYS 95 12.912 -5.208 34.263 740 HB2 LYS 95 HB2 LYS 95 12.002 -2.974 34.159 741 HB3 LYS 95 HB3 LYS 95 13.403 -3.010 35.222 742 HG2 LYS 95 HG2 LYS 95 14.799 -2.013 33.404 743 HG3 LYS 95 HG3 LYS 95 13.369 -1.962 32.354 744 HD2 LYS 95 HD2 LYS 95 12.230 -0.479 33.992 745 HD3 LYS 95 HD3 LYS 95 13.681 -0.505 35.012 746 HE2 LYS 95 HE2 LYS 95 14.998 0.459 33.136 747 HE3 LYS 95 HE3 LYS 95 13.549 0.492 32.138 748 HZ1 LYS 95 HZ1 LYS 95 13.927 2.020 34.652 749 HZ2 LYS 95 HZ2 LYS 95 13.940 2.646 33.149 750 HZ3 LYS 95 HZ3 LYS 95 12.559 2.032 33.758 751 H ALA 96 H ALA 96 11.121 -5.049 32.882 752 HA ALA 96 HA ALA 96 11.591 -4.746 29.972 753 HB1 ALA 96 HB1 ALA 96 10.505 -6.922 29.528 754 HB2 ALA 96 HB2 ALA 96 11.988 -7.128 30.471 755 HB3 ALA 96 HB3 ALA 96 10.408 -7.237 31.273 756 H LYS 97 H LYS 97 9.529 -4.755 28.743 757 HA LYS 97 HA LYS 97 7.625 -2.939 29.911 758 HB2 LYS 97 HB2 LYS 97 7.626 -4.464 27.274 759 HB3 LYS 97 HB3 LYS 97 6.413 -3.261 27.709 760 HG2 LYS 97 HG2 LYS 97 8.186 -1.541 27.960 761 HG3 LYS 97 HG3 LYS 97 9.402 -2.727 27.456 762 HD2 LYS 97 HD2 LYS 97 8.251 -2.994 25.276 763 HD3 LYS 97 HD3 LYS 97 7.025 -1.811 25.780 764 HE2 LYS 97 HE2 LYS 97 8.806 -0.098 26.040 765 HE3 LYS 97 HE3 LYS 97 10.011 -1.269 25.522 766 HZ1 LYS 97 HZ1 LYS 97 7.754 -0.301 23.856 767 HZ2 LYS 97 HZ2 LYS 97 9.314 0.134 23.682 768 HZ3 LYS 97 HZ3 LYS 97 8.864 -1.399 23.374 769 HA PRO 98 HA PRO 98 4.666 -5.469 31.794 770 HB2 PRO 98 HB2 PRO 98 2.456 -4.025 30.346 771 HB3 PRO 98 HB3 PRO 98 2.653 -4.315 32.099 772 HG2 PRO 98 HG2 PRO 98 3.236 -1.894 31.061 773 HG3 PRO 98 HG3 PRO 98 4.359 -2.638 32.249 774 HD2 PRO 98 HD2 PRO 98 4.567 -2.624 29.224 775 HD3 PRO 98 HD3 PRO 98 5.807 -2.219 30.444 776 H LYS 99 H LYS 99 4.522 -5.552 28.368 777 HA LYS 99 HA LYS 99 3.720 -6.850 26.762 778 HB2 LYS 99 HB2 LYS 99 4.304 -9.116 26.826 779 HB3 LYS 99 HB3 LYS 99 5.511 -8.193 27.701 780 HG2 LYS 99 HG2 LYS 99 4.608 -8.935 29.854 781 HG3 LYS 99 HG3 LYS 99 3.284 -9.791 29.042 782 HD2 LYS 99 HD2 LYS 99 6.250 -10.423 28.712 783 HD3 LYS 99 HD3 LYS 99 5.157 -11.244 29.833 784 HE2 LYS 99 HE2 LYS 99 3.733 -11.946 27.908 785 HE3 LYS 99 HE3 LYS 99 4.881 -11.201 26.800 786 HZ1 LYS 99 HZ1 LYS 99 5.309 -13.570 27.042 787 HZ2 LYS 99 HZ2 LYS 99 6.579 -12.740 27.633 788 HZ3 LYS 99 HZ3 LYS 99 5.506 -13.434 28.652 789 H VAL 100 H VAL 100 1.552 -6.558 29.202 790 HA VAL 100 HA VAL 100 -0.567 -8.165 27.917 791 HB VAL 100 HB VAL 100 -0.734 -6.093 30.134 792 HG11 VAL 100 HG11 VAL 100 -2.839 -8.033 29.066 793 HG12 VAL 100 HG12 VAL 100 -2.993 -7.059 30.541 794 HG13 VAL 100 HG13 VAL 100 -2.903 -6.258 28.978 795 HG21 VAL 100 HG21 VAL 100 0.486 -8.136 30.829 796 HG22 VAL 100 HG22 VAL 100 -1.101 -8.057 31.595 797 HG23 VAL 100 HG23 VAL 100 -0.842 -9.143 30.215 798 H LEU 101 H LEU 101 -1.888 -7.499 26.374 799 HA LEU 101 HA LEU 101 -1.853 -4.651 25.500 800 HB2 LEU 101 HB2 LEU 101 -0.437 -6.173 24.173 801 HB3 LEU 101 HB3 LEU 101 -1.831 -7.132 23.742 802 HG LEU 101 HG LEU 101 -0.944 -5.576 22.011 803 HD11 LEU 101 HD11 LEU 101 -3.837 -4.910 22.654 804 HD12 LEU 101 HD12 LEU 101 -3.019 -4.895 21.087 805 HD13 LEU 101 HD13 LEU 101 -3.275 -6.434 21.918 806 HD21 LEU 101 HD21 LEU 101 -1.398 -3.212 22.047 807 HD22 LEU 101 HD22 LEU 101 -2.172 -3.323 23.638 808 HD23 LEU 101 HD23 LEU 101 -0.428 -3.640 23.465 809 HA PRO 102 HA PRO 102 -6.204 -6.073 24.325 810 HB2 PRO 102 HB2 PRO 102 -7.386 -8.340 25.266 811 HB3 PRO 102 HB3 PRO 102 -6.318 -8.316 23.832 812 HG2 PRO 102 HG2 PRO 102 -5.576 -9.016 26.686 813 HG3 PRO 102 HG3 PRO 102 -5.223 -9.948 25.197 814 HD2 PRO 102 HD2 PRO 102 -3.416 -8.280 26.322 815 HD3 PRO 102 HD3 PRO 102 -3.544 -8.429 24.539 816 H PHE 103 H PHE 103 -8.278 -5.696 25.279 817 HA PHE 103 HA PHE 103 -8.263 -5.012 28.190 818 HB2 PHE 103 HB2 PHE 103 -9.382 -3.290 25.961 819 HB3 PHE 103 HB3 PHE 103 -9.301 -2.888 27.665 820 HD1 PHE 103 HD2 PHE 103 -6.790 -2.984 28.697 821 HD2 PHE 103 HD1 PHE 103 -7.788 -2.309 24.557 822 HE1 PHE 103 HE2 PHE 103 -4.606 -1.858 28.348 823 HE2 PHE 103 HE1 PHE 103 -5.610 -1.173 24.220 824 HZ PHE 103 HZ PHE 103 -4.017 -0.948 26.112 825 H HIS 104 H HIS 104 -10.384 -4.632 29.112 826 HA HIS 104 HA HIS 104 -12.671 -5.997 27.760 827 HB2 HIS 104 HB2 HIS 104 -13.307 -6.974 29.887 828 HB3 HIS 104 HB3 HIS 104 -11.690 -7.481 29.431 829 HD1 HIS 104 HD1 HIS 104 -13.377 -5.011 31.886 830 HD2 HIS 104 HD2 HIS 104 -9.758 -7.012 31.182 831 HE1 HIS 104 HE1 HIS 104 -11.921 -4.577 33.924 832 H THR 105 H THR 105 -11.913 -3.088 28.034 833 HA THR 105 HA THR 105 -13.777 -1.891 29.935 834 HB THR 105 HB THR 105 -12.741 0.224 28.952 835 HG1 THR 105 HG1 THR 105 -11.043 -0.156 27.560 836 HG21 THR 105 HG21 THR 105 -10.732 -1.858 29.928 837 HG22 THR 105 HG22 THR 105 -10.554 -0.092 29.975 838 HG23 THR 105 HG23 THR 105 -11.781 -0.880 30.978 839 H ILE 106 H ILE 106 -14.210 -2.984 26.762 840 HA ILE 106 HA ILE 106 -16.062 -0.873 25.928 841 HB ILE 106 HB ILE 106 -14.703 -1.993 24.285 842 HG12 ILE 106 HG12 ILE 106 -17.656 -2.574 23.837 843 HG13 ILE 106 HG13 ILE 106 -16.915 -0.975 23.742 844 HG21 ILE 106 HG21 ILE 106 -16.310 -4.536 24.758 845 HG22 ILE 106 HG22 ILE 106 -15.010 -4.289 23.577 846 HG23 ILE 106 HG23 ILE 106 -14.636 -4.289 25.297 847 HD11 ILE 106 HD11 ILE 106 -15.419 -1.795 21.911 848 HD12 ILE 106 HD12 ILE 106 -16.309 -3.341 21.926 849 HD13 ILE 106 HD13 ILE 106 -17.145 -1.837 21.510 850 H TYR 107 H TYR 107 -18.210 -0.800 26.158 851 HA TYR 107 HA TYR 107 -19.721 -3.099 27.280 852 HB2 TYR 107 HB2 TYR 107 -19.581 -0.321 28.516 853 HB3 TYR 107 HB3 TYR 107 -20.737 -1.564 28.962 854 HD1 TYR 107 HD2 TYR 107 -19.780 -3.889 29.709 855 HD2 TYR 107 HD1 TYR 107 -17.568 -0.185 29.774 856 HE1 TYR 107 HE2 TYR 107 -18.271 -4.813 31.458 857 HE2 TYR 107 HE1 TYR 107 -16.070 -1.112 31.527 858 HH TYR 107 HH TYR 107 -15.640 -2.967 32.879 859 H CYS 108 H CYS 108 -22.077 -2.591 27.445 860 HA CYS 108 HA CYS 108 -23.091 -1.636 24.917 861 HB2 CYS 108 HB2 CYS 108 -23.949 -3.587 26.274 862 HB3 CYS 108 HB3 CYS 108 -24.601 -2.432 27.441 863 HG CYS 108 HG CYS 108 -25.238 -2.806 24.221 864 H TYR 109 H TYR 109 -24.734 -0.018 24.608 865 HA TYR 109 HA TYR 109 -25.094 2.071 26.677 866 HB2 TYR 109 HB2 TYR 109 -24.181 2.607 23.828 867 HB3 TYR 109 HB3 TYR 109 -24.810 3.841 24.910 868 HD1 TYR 109 HD2 TYR 109 -23.675 4.369 27.073 869 HD2 TYR 109 HD1 TYR 109 -21.850 1.911 24.036 870 HE1 TYR 109 HE2 TYR 109 -21.444 4.715 28.129 871 HE2 TYR 109 HE1 TYR 109 -19.625 2.261 25.088 872 HH TYR 109 HH TYR 109 -18.493 3.302 26.854 873 H ASN 110 H ASN 110 -26.760 -0.138 25.622 874 HA ASN 110 HA ASN 110 -29.151 1.347 24.670 875 HB2 ASN 110 HB2 ASN 110 -27.928 -1.131 23.378 876 HB3 ASN 110 HB3 ASN 110 -29.486 -0.440 22.947 877 HD21 ASN 110 HD22 ASN 110 -29.517 1.740 21.933 878 HD22 ASN 110 HD21 ASN 110 -28.066 2.277 21.092 879 H CYS 111 H CYS 111 -31.087 -0.045 24.699 880 HA CYS 111 HA CYS 111 -32.675 -1.029 25.929 881 HB2 CYS 111 HB2 CYS 111 -32.635 -3.405 25.746 882 HB3 CYS 111 HB3 CYS 111 -31.905 -2.676 24.321 883 HG CYS 111 HG CYS 111 -30.659 -4.882 24.898 884 H GLY 112 H GLY 112 -30.781 0.222 27.774 885 HA2 GLY 112 HA2 GLY 112 -31.884 0.166 30.151 886 HA3 GLY 112 HA3 GLY 112 -31.093 -1.410 30.247 887 H GLY 113 H GLY 113 -28.673 -0.552 28.772 888 HA2 GLY 113 HA2 GLY 113 -27.179 1.529 29.214 889 HA3 GLY 113 HA3 GLY 113 -27.321 1.045 30.899 890 H LYS 114 H LYS 114 -25.050 0.982 30.865 891 HA LYS 114 HA LYS 114 -23.544 -0.916 29.257 892 HB2 LYS 114 HB2 LYS 114 -21.608 0.042 30.333 893 HB3 LYS 114 HB3 LYS 114 -22.711 1.331 29.891 894 HG2 LYS 114 HG2 LYS 114 -23.530 1.478 32.221 895 HG3 LYS 114 HG3 LYS 114 -22.460 0.160 32.701 896 HD2 LYS 114 HD2 LYS 114 -21.533 2.835 31.571 897 HD3 LYS 114 HD3 LYS 114 -21.608 2.419 33.289 898 HE2 LYS 114 HE2 LYS 114 -20.032 0.524 32.876 899 HE3 LYS 114 HE3 LYS 114 -19.892 1.023 31.193 900 HZ1 LYS 114 HZ1 LYS 114 -18.996 3.153 31.973 901 HZ2 LYS 114 HZ2 LYS 114 -19.118 2.675 33.532 902 HZ3 LYS 114 HZ3 LYS 114 -18.085 1.920 32.525 903 H GLY 115 H GLY 115 -21.660 -1.998 30.635 904 HA2 GLY 115 HA2 GLY 115 -20.958 -3.531 32.208 905 HA3 GLY 115 HA3 GLY 115 -22.501 -3.383 33.033 906 H HIS 116 H HIS 116 -24.384 -4.332 31.302 907 HA HIS 116 HA HIS 116 -23.818 -7.110 31.668 908 HB2 HIS 116 HB2 HIS 116 -26.023 -7.559 31.443 909 HB3 HIS 116 HB3 HIS 116 -26.049 -5.919 32.073 910 HD1 HIS 116 HD1 HIS 116 -27.425 -7.993 29.342 911 HD2 HIS 116 HD2 HIS 116 -26.415 -3.957 29.926 912 HE1 HIS 116 HE1 HIS 116 -28.643 -6.678 27.534 913 H PHE 117 H PHE 117 -23.719 -8.769 30.427 914 HA PHE 117 HA PHE 117 -22.933 -10.064 28.726 915 HB2 PHE 117 HB2 PHE 117 -25.534 -9.006 27.621 916 HB3 PHE 117 HB3 PHE 117 -24.820 -10.575 27.269 917 HD1 PHE 117 HD2 PHE 117 -24.025 -11.195 30.295 918 HD2 PHE 117 HD1 PHE 117 -27.633 -9.952 28.275 919 HE1 PHE 117 HE2 PHE 117 -25.389 -12.208 32.086 920 HE2 PHE 117 HE1 PHE 117 -28.985 -10.965 30.086 921 HZ PHE 117 HZ PHE 117 -27.866 -12.091 31.996 922 H GLY 118 H GLY 118 -21.800 -7.338 28.162 923 HA2 GLY 118 HA2 GLY 118 -22.284 -6.343 25.698 924 HA3 GLY 118 HA3 GLY 118 -20.724 -6.177 26.502 925 H ASP 119 H ASP 119 -20.259 -9.149 26.207 926 HA ASP 119 HA ASP 119 -18.831 -9.272 23.738 927 HB2 ASP 119 HB2 ASP 119 -18.411 -10.624 25.799 928 HB3 ASP 119 HB3 ASP 119 -19.913 -11.489 25.518 929 H ASP 120 H ASP 120 -22.053 -10.502 24.645 930 HA ASP 120 HA ASP 120 -22.590 -11.482 21.878 931 HB2 ASP 120 HB2 ASP 120 -22.689 -13.117 23.706 932 HB3 ASP 120 HB3 ASP 120 -23.857 -12.122 24.562 933 H CYS 121 H CYS 121 -23.777 -9.238 24.347 934 HA CYS 121 HA CYS 121 -26.317 -8.688 23.132 935 HB2 CYS 121 HB2 CYS 121 -25.905 -8.361 25.509 936 HB3 CYS 121 HB3 CYS 121 -24.672 -7.131 25.166 937 HG CYS 121 HG CYS 121 -27.882 -7.112 24.361 938 H LYS 122 H LYS 122 -26.651 -7.715 21.323 939 HA LYS 122 HA LYS 122 -25.130 -5.378 20.346 940 HB2 LYS 122 HB2 LYS 122 -24.756 -8.087 19.338 941 HB3 LYS 122 HB3 LYS 122 -25.652 -7.201 18.141 942 HG2 LYS 122 HG2 LYS 122 -23.338 -7.004 17.622 943 HG3 LYS 122 HG3 LYS 122 -23.935 -5.420 18.101 944 HD2 LYS 122 HD2 LYS 122 -21.692 -5.859 18.984 945 HD3 LYS 122 HD3 LYS 122 -22.841 -5.646 20.304 946 HE2 LYS 122 HE2 LYS 122 -22.992 -8.108 20.572 947 HE3 LYS 122 HE3 LYS 122 -21.914 -8.336 19.199 948 HZ1 LYS 122 HZ1 LYS 122 -21.205 -7.102 21.793 949 HZ2 LYS 122 HZ2 LYS 122 -20.681 -8.512 21.215 950 HZ3 LYS 122 HZ3 LYS 122 -20.193 -7.127 20.502 951 H GLU 123 H GLU 123 -26.227 -4.274 18.595 952 HA GLU 123 HA GLU 123 -29.136 -4.282 18.934 953 HB2 GLU 123 HB2 GLU 123 -27.348 -2.667 17.089 954 HB3 GLU 123 HB3 GLU 123 -29.083 -2.427 17.287 955 HG2 GLU 123 HG2 GLU 123 -26.985 -2.103 19.473 956 HG3 GLU 123 HG3 GLU 123 -27.756 -0.805 18.587 957 H LYS 124 H LYS 124 -30.634 -5.223 17.739 958 HA LYS 124 HA LYS 124 -30.158 -6.204 15.007 959 HB2 LYS 124 HB2 LYS 124 -29.388 -8.041 16.535 960 HB3 LYS 124 HB3 LYS 124 -30.930 -7.980 17.364 961 HG2 LYS 124 HG2 LYS 124 -31.060 -9.857 16.036 962 HG3 LYS 124 HG3 LYS 124 -32.052 -8.701 15.186 963 HD2 LYS 124 HD2 LYS 124 -29.193 -9.530 14.507 964 HD3 LYS 124 HD3 LYS 124 -30.640 -10.125 13.719 965 HE2 LYS 124 HE2 LYS 124 -29.524 -7.303 13.558 966 HE3 LYS 124 HE3 LYS 124 -29.468 -8.536 12.314 967 HZ1 LYS 124 HZ1 LYS 124 -31.943 -8.470 12.271 968 HZ2 LYS 124 HZ2 LYS 124 -31.902 -7.216 13.319 969 HZ3 LYS 124 HZ3 LYS 124 -31.266 -7.037 11.846 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -22.670 17.664 0.666 2 H2 LYS 1 H2 LYS 1 -23.460 16.215 0.639 3 H3 LYS 1 H3 LYS 1 -22.006 16.373 -0.091 4 HA LYS 1 HA LYS 1 -20.862 16.704 1.914 5 HB2 LYS 1 HB2 LYS 1 -21.918 16.498 4.084 6 HB3 LYS 1 HB3 LYS 1 -22.559 17.861 3.183 7 HG2 LYS 1 HG2 LYS 1 -24.605 16.557 2.632 8 HG3 LYS 1 HG3 LYS 1 -23.960 15.172 3.535 9 HD2 LYS 1 HD2 LYS 1 -23.907 16.540 5.600 10 HD3 LYS 1 HD3 LYS 1 -24.555 17.925 4.699 11 HE2 LYS 1 HE2 LYS 1 -26.579 16.610 4.140 12 HE3 LYS 1 HE3 LYS 1 -25.935 15.229 5.017 13 HZ1 LYS 1 HZ1 LYS 1 -26.584 17.852 6.242 14 HZ2 LYS 1 HZ2 LYS 1 -27.490 16.504 6.374 15 HZ3 LYS 1 HZ3 LYS 1 -26.009 16.554 7.052 16 H GLU 2 H GLU 2 -19.725 14.985 2.602 17 HA GLU 2 HA GLU 2 -20.632 12.412 1.403 18 HB2 GLU 2 HB2 GLU 2 -17.888 13.681 1.697 19 HB3 GLU 2 HB3 GLU 2 -18.175 12.058 1.090 20 HG2 GLU 2 HG2 GLU 2 -17.906 13.390 -0.819 21 HG3 GLU 2 HG3 GLU 2 -19.607 12.986 -0.729 22 H ALA 3 H ALA 3 -20.098 13.575 4.533 23 HA ALA 3 HA ALA 3 -19.937 10.830 5.590 24 HB1 ALA 3 HB1 ALA 3 -17.853 12.951 6.247 25 HB2 ALA 3 HB2 ALA 3 -17.970 11.331 6.986 26 HB3 ALA 3 HB3 ALA 3 -17.563 11.499 5.271 27 H ALA 4 H ALA 4 -20.728 10.583 7.654 28 HA ALA 4 HA ALA 4 -21.965 12.847 9.069 29 HB1 ALA 4 HB1 ALA 4 -23.197 10.786 9.070 30 HB2 ALA 4 HB2 ALA 4 -21.827 9.873 9.714 31 HB3 ALA 4 HB3 ALA 4 -22.616 11.104 10.715 32 HA PRO 5 HA PRO 5 -18.431 12.051 12.211 33 HB2 PRO 5 HB2 PRO 5 -16.345 10.372 11.638 34 HB3 PRO 5 HB3 PRO 5 -17.889 9.798 12.332 35 HG2 PRO 5 HG2 PRO 5 -17.129 9.864 9.377 36 HG3 PRO 5 HG3 PRO 5 -17.699 8.452 10.333 37 HD2 PRO 5 HD2 PRO 5 -19.396 9.867 8.869 38 HD3 PRO 5 HD3 PRO 5 -19.857 9.402 10.537 39 H LYS 6 H LYS 6 -17.417 11.898 8.880 40 HA LYS 6 HA LYS 6 -15.827 12.632 7.564 41 HB2 LYS 6 HB2 LYS 6 -15.839 14.835 7.088 42 HB3 LYS 6 HB3 LYS 6 -17.346 14.592 7.932 43 HG2 LYS 6 HG2 LYS 6 -16.731 16.531 8.935 44 HG3 LYS 6 HG3 LYS 6 -15.978 15.425 10.060 45 HD2 LYS 6 HD2 LYS 6 -14.245 16.850 9.732 46 HD3 LYS 6 HD3 LYS 6 -13.851 15.737 8.423 47 HE2 LYS 6 HE2 LYS 6 -15.448 18.326 8.147 48 HE3 LYS 6 HE3 LYS 6 -13.726 18.189 7.857 49 HZ1 LYS 6 HZ1 LYS 6 -14.888 18.065 5.789 50 HZ2 LYS 6 HZ2 LYS 6 -14.230 16.603 6.054 51 HZ3 LYS 6 HZ3 LYS 6 -15.841 16.847 6.274 52 H CYS 7 H CYS 7 -14.742 13.122 10.848 53 HA CYS 7 HA CYS 7 -12.123 12.067 10.073 54 HB2 CYS 7 HB2 CYS 7 -12.243 14.715 9.904 55 HB3 CYS 7 HB3 CYS 7 -12.097 14.616 11.676 56 HG CYS 7 HG CYS 7 -10.200 13.393 9.284 57 H ASN 8 H ASN 8 -10.731 11.990 12.218 58 HA ASN 8 HA ASN 8 -12.357 12.174 14.700 59 HB2 ASN 8 HB2 ASN 8 -11.039 9.941 14.514 60 HB3 ASN 8 HB3 ASN 8 -9.585 10.936 14.529 61 HD21 ASN 8 HD22 ASN 8 -9.066 9.658 16.502 62 HD22 ASN 8 HD21 ASN 8 -9.765 10.212 18.021 63 H ASN 9 H ASN 9 -11.640 13.748 16.146 64 HA ASN 9 HA ASN 9 -10.674 15.573 16.995 65 HB2 ASN 9 HB2 ASN 9 -9.109 13.737 17.414 66 HB3 ASN 9 HB3 ASN 9 -8.198 14.158 15.968 67 HD21 ASN 9 HD22 ASN 9 -6.433 14.205 17.647 68 HD22 ASN 9 HD21 ASN 9 -6.193 15.728 18.497 69 H CYS 10 H CYS 10 -8.712 15.400 13.967 70 HA CYS 10 HA CYS 10 -8.374 18.316 14.083 71 HB2 CYS 10 HB2 CYS 10 -6.719 17.896 12.237 72 HB3 CYS 10 HB3 CYS 10 -6.356 17.146 13.791 73 HG CYS 10 HG CYS 10 -6.835 14.793 13.237 74 H SER 11 H SER 11 -10.449 16.238 12.377 75 HA SER 11 HA SER 11 -12.119 16.627 10.858 76 HB2 SER 11 HB2 SER 11 -12.047 19.210 12.396 77 HB3 SER 11 HB3 SER 11 -13.445 18.552 11.516 78 HG SER 11 HG SER 11 -13.298 17.898 13.748 79 H GLN 12 H GLN 12 -9.596 17.307 9.507 80 HA GLN 12 HA GLN 12 -10.954 18.668 7.256 81 HB2 GLN 12 HB2 GLN 12 -9.178 20.216 6.834 82 HB3 GLN 12 HB3 GLN 12 -9.802 20.442 8.461 83 HG2 GLN 12 HG2 GLN 12 -7.846 19.210 9.394 84 HG3 GLN 12 HG3 GLN 12 -7.211 18.987 7.762 85 HE21 GLN 12 HE22 GLN 12 -5.449 20.173 9.363 86 HE22 GLN 12 HE21 GLN 12 -5.403 21.912 9.085 87 H ARG 13 H ARG 13 -10.005 15.862 7.858 88 HA ARG 13 HA ARG 13 -8.740 15.344 5.240 89 HB2 ARG 13 HB2 ARG 13 -6.942 15.699 6.930 90 HB3 ARG 13 HB3 ARG 13 -7.561 14.348 7.868 91 HG2 ARG 13 HG2 ARG 13 -7.018 12.787 6.064 92 HG3 ARG 13 HG3 ARG 13 -6.622 14.117 4.964 93 HD2 ARG 13 HD2 ARG 13 -5.139 13.489 7.548 94 HD3 ARG 13 HD3 ARG 13 -4.620 12.979 5.943 95 HE ARG 13 HE ARG 13 -4.582 15.479 5.365 96 HH11 ARG 13 HH11 ARG 13 -3.780 14.351 8.597 97 HH12 ARG 13 HH12 ARG 13 -2.821 15.775 8.947 98 HH21 ARG 13 HH21 ARG 13 -3.392 17.267 5.890 99 HH22 ARG 13 HH22 ARG 13 -2.606 17.378 7.445 100 H GLY 14 H GLY 14 -9.195 13.357 4.372 101 HA2 GLY 14 HA2 GLY 14 -11.837 12.604 4.849 102 HA3 GLY 14 HA3 GLY 14 -10.732 11.790 3.744 103 H HIS 15 H HIS 15 -9.104 11.137 6.411 104 HA HIS 15 HA HIS 15 -10.364 8.590 6.935 105 HB2 HIS 15 HB2 HIS 15 -8.604 8.340 8.652 106 HB3 HIS 15 HB3 HIS 15 -8.043 8.646 7.024 107 HD1 HIS 15 HD1 HIS 15 -5.739 9.217 8.413 108 HD2 HIS 15 HD2 HIS 15 -8.917 11.948 8.672 109 HE1 HIS 15 HE1 HIS 15 -4.762 11.378 9.335 110 H LEU 16 H LEU 16 -12.439 8.910 7.584 111 HA LEU 16 HA LEU 16 -13.464 10.407 9.724 112 HB2 LEU 16 HB2 LEU 16 -15.294 8.802 9.757 113 HB3 LEU 16 HB3 LEU 16 -14.874 9.377 8.148 114 HG LEU 16 HG LEU 16 -13.635 7.122 7.837 115 HD11 LEU 16 HD11 LEU 16 -15.347 6.448 10.282 116 HD12 LEU 16 HD12 LEU 16 -14.586 5.260 9.217 117 HD13 LEU 16 HD13 LEU 16 -13.569 6.325 10.186 118 HD21 LEU 16 HD21 LEU 16 -16.659 7.160 8.239 119 HD22 LEU 16 HD22 LEU 16 -15.790 7.694 6.786 120 HD23 LEU 16 HD23 LEU 16 -15.746 5.993 7.259 121 H LYS 17 H LYS 17 -14.543 9.238 11.716 122 HA LYS 17 HA LYS 17 -12.759 9.429 13.625 123 HB2 LYS 17 HB2 LYS 17 -15.398 8.902 13.639 124 HB3 LYS 17 HB3 LYS 17 -14.853 7.369 14.279 125 HG2 LYS 17 HG2 LYS 17 -14.187 10.140 15.353 126 HG3 LYS 17 HG3 LYS 17 -15.384 9.051 16.030 127 HD2 LYS 17 HD2 LYS 17 -12.366 8.571 15.965 128 HD3 LYS 17 HD3 LYS 17 -13.283 9.120 17.347 129 HE2 LYS 17 HE2 LYS 17 -13.695 6.423 15.979 130 HE3 LYS 17 HE3 LYS 17 -12.678 6.695 17.379 131 HZ1 LYS 17 HZ1 LYS 17 -14.635 7.450 18.603 132 HZ2 LYS 17 HZ2 LYS 17 -15.605 7.164 17.320 133 HZ3 LYS 17 HZ3 LYS 17 -14.847 5.933 18.067 134 H LYS 18 H LYS 18 -13.772 6.105 12.782 135 HA LYS 18 HA LYS 18 -11.475 4.885 14.102 136 HB2 LYS 18 HB2 LYS 18 -12.503 2.780 13.501 137 HB3 LYS 18 HB3 LYS 18 -13.678 3.883 14.211 138 HG2 LYS 18 HG2 LYS 18 -14.606 4.390 11.974 139 HG3 LYS 18 HG3 LYS 18 -13.354 3.404 11.211 140 HD2 LYS 18 HD2 LYS 18 -15.403 2.151 11.266 141 HD3 LYS 18 HD3 LYS 18 -14.240 1.389 12.357 142 HE2 LYS 18 HE2 LYS 18 -15.355 2.486 14.293 143 HE3 LYS 18 HE3 LYS 18 -16.495 3.263 13.199 144 HZ1 LYS 18 HZ1 LYS 18 -16.224 0.329 13.554 145 HZ2 LYS 18 HZ2 LYS 18 -17.418 1.242 14.180 146 HZ3 LYS 18 HZ3 LYS 18 -17.301 1.062 12.565 147 H ASP 19 H ASP 19 -11.677 6.240 11.052 148 HA ASP 19 HA ASP 19 -9.731 4.440 9.750 149 HB2 ASP 19 HB2 ASP 19 -11.740 5.817 8.670 150 HB3 ASP 19 HB3 ASP 19 -10.577 7.129 8.697 151 H CYS 20 H CYS 20 -9.880 7.542 11.428 152 HA CYS 20 HA CYS 20 -7.379 8.621 10.735 153 HB2 CYS 20 HB2 CYS 20 -9.345 9.798 11.689 154 HB3 CYS 20 HB3 CYS 20 -9.048 9.017 13.247 155 HG CYS 20 HG CYS 20 -6.677 10.069 13.626 156 HA PRO 21 HA PRO 21 -4.639 5.869 12.744 157 HB2 PRO 21 HB2 PRO 21 -2.317 7.352 12.940 158 HB3 PRO 21 HB3 PRO 21 -2.985 6.714 11.411 159 HG2 PRO 21 HG2 PRO 21 -3.394 9.481 12.598 160 HG3 PRO 21 HG3 PRO 21 -2.862 9.063 10.934 161 HD2 PRO 21 HD2 PRO 21 -5.430 9.622 11.408 162 HD3 PRO 21 HD3 PRO 21 -5.020 8.220 10.375 163 H HIS 22 H HIS 22 -3.436 5.319 14.552 164 HA HIS 22 HA HIS 22 -3.361 7.083 16.920 165 HB2 HIS 22 HB2 HIS 22 -5.342 5.498 17.064 166 HB3 HIS 22 HB3 HIS 22 -4.199 4.158 17.052 167 HD1 HIS 22 HD1 HIS 22 -4.886 7.328 19.206 168 HD2 HIS 22 HD2 HIS 22 -3.417 3.402 19.446 169 HE1 HIS 22 HE1 HIS 22 -4.420 6.895 21.661 170 H ILE 23 H ILE 23 -1.765 6.020 18.589 171 HA ILE 23 HA ILE 23 0.715 5.830 17.209 172 HB ILE 23 HB ILE 23 1.735 5.401 19.442 173 HG12 ILE 23 HG12 ILE 23 0.438 5.892 21.455 174 HG13 ILE 23 HG13 ILE 23 -1.071 5.860 20.555 175 HG21 ILE 23 HG21 ILE 23 -0.131 7.795 19.193 176 HG22 ILE 23 HG22 ILE 23 1.340 7.697 20.179 177 HG23 ILE 23 HG23 ILE 23 1.458 7.627 18.419 178 HD11 ILE 23 HD11 ILE 23 -0.902 3.465 20.242 179 HD12 ILE 23 HD12 ILE 23 0.797 3.461 20.799 180 HD13 ILE 23 HD13 ILE 23 -0.521 3.803 21.933 181 H ILE 24 H ILE 24 2.353 4.270 17.199 182 HA ILE 24 HA ILE 24 1.258 1.516 16.799 183 HB ILE 24 HB ILE 24 3.246 2.955 15.007 184 HG12 ILE 24 HG12 ILE 24 0.257 2.502 14.594 185 HG13 ILE 24 HG13 ILE 24 1.068 4.055 14.801 186 HG21 ILE 24 HG21 ILE 24 1.733 0.330 14.672 187 HG22 ILE 24 HG22 ILE 24 2.853 1.029 13.484 188 HG23 ILE 24 HG23 ILE 24 3.468 0.471 15.022 189 HD11 ILE 24 HD11 ILE 24 2.332 3.646 12.672 190 HD12 ILE 24 HD12 ILE 24 1.295 2.220 12.398 191 HD13 ILE 24 HD13 ILE 24 0.577 3.831 12.494 192 H CYS 25 H CYS 25 2.409 -0.165 17.447 193 HA CYS 25 HA CYS 25 4.701 -0.030 19.154 194 HB2 CYS 25 HB2 CYS 25 3.084 -1.826 19.264 195 HB3 CYS 25 HB3 CYS 25 3.343 -2.231 17.563 196 HG CYS 25 HG CYS 25 5.433 -2.500 20.119 197 H SER 26 H SER 26 6.607 0.736 18.461 198 HA SER 26 HA SER 26 8.476 1.200 17.292 199 HB2 SER 26 HB2 SER 26 8.312 -1.771 16.745 200 HB3 SER 26 HB3 SER 26 9.749 -0.782 16.424 201 HG SER 26 HG SER 26 8.559 -1.262 18.888 202 H TYR 27 H TYR 27 5.967 1.393 15.546 203 HA TYR 27 HA TYR 27 5.280 1.497 13.402 204 HB2 TYR 27 HB2 TYR 27 6.874 3.413 13.654 205 HB3 TYR 27 HB3 TYR 27 8.093 2.458 12.839 206 HD1 TYR 27 HD1 TYR 27 4.884 1.881 11.217 207 HD2 TYR 27 HD2 TYR 27 8.115 4.717 11.639 208 HE1 TYR 27 HE1 TYR 27 4.260 2.922 9.063 209 HE2 TYR 27 HE2 TYR 27 7.462 5.770 9.484 210 HH TYR 27 HH TYR 27 4.781 4.621 7.531 211 H CYS 28 H CYS 28 6.135 -1.122 14.169 212 HA CYS 28 HA CYS 28 7.490 -2.253 11.788 213 HB2 CYS 28 HB2 CYS 28 7.905 -4.190 13.100 214 HB3 CYS 28 HB3 CYS 28 8.358 -2.764 14.035 215 HG CYS 28 HG CYS 28 6.192 -2.692 15.509 216 H GLY 29 H GLY 29 4.268 -2.141 13.122 217 HA2 GLY 29 HA2 GLY 29 3.170 -3.360 10.721 218 HA3 GLY 29 HA3 GLY 29 2.967 -4.354 12.168 219 H ALA 30 H ALA 30 0.777 -3.158 10.639 220 HA ALA 30 HA ALA 30 -0.097 -0.716 11.751 221 HB1 ALA 30 HB1 ALA 30 -0.939 -1.598 9.640 222 HB2 ALA 30 HB2 ALA 30 -1.726 -2.950 10.493 223 HB3 ALA 30 HB3 ALA 30 -2.272 -1.285 10.763 224 H THR 31 H THR 31 -0.790 -0.175 13.639 225 HA THR 31 HA THR 31 -0.924 -1.835 15.857 226 HB THR 31 HB THR 31 -0.507 0.575 15.846 227 HG1 THR 31 HG1 THR 31 -1.516 0.854 17.775 228 HG21 THR 31 HG21 THR 31 -2.433 1.310 14.358 229 HG22 THR 31 HG22 THR 31 -3.522 1.012 15.732 230 HG23 THR 31 HG23 THR 31 -2.241 2.236 15.847 231 H ASP 32 H ASP 32 -3.579 -1.078 13.696 232 HA ASP 32 HA ASP 32 -5.713 -1.816 15.495 233 HB2 ASP 32 HB2 ASP 32 -5.891 -0.230 13.601 234 HB3 ASP 32 HB3 ASP 32 -5.630 -1.554 12.473 235 H ASP 33 H ASP 33 -3.616 -3.766 13.475 236 HA ASP 33 HA ASP 33 -5.394 -6.146 13.843 237 HB2 ASP 33 HB2 ASP 33 -5.818 -4.939 11.677 238 HB3 ASP 33 HB3 ASP 33 -4.162 -5.287 11.207 239 H HIS 34 H HIS 34 -2.046 -5.030 13.703 240 HA HIS 34 HA HIS 34 -0.963 -7.614 13.110 241 HB2 HIS 34 HB2 HIS 34 1.125 -6.729 13.300 242 HB3 HIS 34 HB3 HIS 34 0.167 -5.368 12.753 243 HD1 HIS 34 HD1 HIS 34 -0.745 -4.867 16.045 244 HD2 HIS 34 HD2 HIS 34 3.034 -5.097 14.237 245 HE1 HIS 34 HE1 HIS 34 0.858 -3.605 17.562 246 H TYR 35 H TYR 35 0.180 -9.067 14.395 247 HA TYR 35 HA TYR 35 0.007 -8.950 17.321 248 HB2 TYR 35 HB2 TYR 35 -2.141 -10.023 16.510 249 HB3 TYR 35 HB3 TYR 35 -1.173 -11.287 15.763 250 HD1 TYR 35 HD2 TYR 35 -1.799 -9.595 19.060 251 HD2 TYR 35 HD1 TYR 35 -0.612 -13.214 17.036 252 HE1 TYR 35 HE2 TYR 35 -1.744 -10.791 21.237 253 HE2 TYR 35 HE1 TYR 35 -0.546 -14.406 19.225 254 HH TYR 35 HH TYR 35 -1.327 -12.850 22.268 255 H SER 36 H SER 36 1.225 -10.885 18.235 256 HA SER 36 HA SER 36 3.850 -10.741 17.791 257 HB2 SER 36 HB2 SER 36 2.827 -11.904 19.658 258 HB3 SER 36 HB3 SER 36 2.248 -13.210 18.603 259 HG SER 36 HG SER 36 4.872 -12.604 19.312 260 H ARG 37 H ARG 37 1.907 -13.242 16.117 261 HA ARG 37 HA ARG 37 4.171 -14.402 14.757 262 HB2 ARG 37 HB2 ARG 37 2.552 -15.825 13.657 263 HB3 ARG 37 HB3 ARG 37 2.250 -15.716 15.387 264 HG2 ARG 37 HG2 ARG 37 0.371 -14.131 14.976 265 HG3 ARG 37 HG3 ARG 37 0.714 -14.176 13.243 266 HD2 ARG 37 HD2 ARG 37 -1.155 -15.646 13.711 267 HD3 ARG 37 HD3 ARG 37 0.224 -16.589 13.185 268 HE ARG 37 HE ARG 37 0.428 -17.566 15.298 269 HH11 ARG 37 HH11 ARG 37 -2.111 -15.143 15.465 270 HH12 ARG 37 HH12 ARG 37 -2.630 -15.676 17.050 271 HH21 ARG 37 HH22 ARG 37 -0.280 -18.187 17.296 272 HH22 ARG 37 HH21 ARG 37 -1.621 -17.368 18.053 273 H HIS 38 H HIS 38 2.373 -11.639 13.917 274 HA HIS 38 HA HIS 38 3.596 -11.601 11.191 275 HB2 HIS 38 HB2 HIS 38 1.097 -12.080 11.291 276 HB3 HIS 38 HB3 HIS 38 0.881 -10.460 11.939 277 HD1 HIS 38 HD1 HIS 38 0.002 -9.015 9.949 278 HD2 HIS 38 HD2 HIS 38 2.920 -11.832 8.864 279 HE1 HIS 38 HE1 HIS 38 0.432 -8.680 7.466 280 H CYS 39 H CYS 39 3.692 -10.207 14.135 281 HA CYS 39 HA CYS 39 3.443 -7.620 14.214 282 HB2 CYS 39 HB2 CYS 39 4.454 -9.383 15.856 283 HB3 CYS 39 HB3 CYS 39 6.018 -8.763 15.327 284 HG CYS 39 HG CYS 39 5.315 -7.658 17.569 285 HA PRO 40 HA PRO 40 7.486 -6.129 12.238 286 HB2 PRO 40 HB2 PRO 40 9.240 -7.734 10.902 287 HB3 PRO 40 HB3 PRO 40 9.167 -7.666 12.685 288 HG2 PRO 40 HG2 PRO 40 7.756 -9.658 10.863 289 HG3 PRO 40 HG3 PRO 40 8.873 -10.020 12.224 290 HD2 PRO 40 HD2 PRO 40 6.225 -10.014 12.620 291 HD3 PRO 40 HD3 PRO 40 7.319 -9.261 13.817 292 H LYS 41 H LYS 41 5.151 -7.807 10.452 293 HA LYS 41 HA LYS 41 6.152 -6.821 7.813 294 HB2 LYS 41 HB2 LYS 41 6.319 -9.364 8.598 295 HB3 LYS 41 HB3 LYS 41 4.653 -9.418 8.036 296 HG2 LYS 41 HG2 LYS 41 5.430 -8.551 5.802 297 HG3 LYS 41 HG3 LYS 41 7.081 -8.479 6.443 298 HD2 LYS 41 HD2 LYS 41 6.953 -10.958 6.881 299 HD3 LYS 41 HD3 LYS 41 5.405 -10.995 6.034 300 HE2 LYS 41 HE2 LYS 41 8.036 -9.990 4.862 301 HE3 LYS 41 HE3 LYS 41 7.443 -11.630 4.660 302 HZ1 LYS 41 HZ1 LYS 41 6.907 -10.177 2.768 303 HZ2 LYS 41 HZ2 LYS 41 5.557 -10.794 3.444 304 HZ3 LYS 41 HZ3 LYS 41 5.975 -9.235 3.706 305 H ALA 42 H ALA 42 3.812 -5.904 9.699 306 HA ALA 42 HA ALA 42 1.529 -6.367 7.905 307 HB1 ALA 42 HB1 ALA 42 1.583 -5.176 10.696 308 HB2 ALA 42 HB2 ALA 42 0.162 -5.731 9.783 309 HB3 ALA 42 HB3 ALA 42 1.394 -6.892 10.290 310 H ILE 43 H ILE 43 3.583 -4.343 7.085 311 HA ILE 43 HA ILE 43 1.734 -2.070 6.484 312 HB ILE 43 HB ILE 43 4.626 -1.879 7.373 313 HG12 ILE 43 HG12 ILE 43 2.266 -0.415 8.617 314 HG13 ILE 43 HG13 ILE 43 2.601 -2.061 9.105 315 HG21 ILE 43 HG21 ILE 43 4.285 -0.138 5.618 316 HG22 ILE 43 HG22 ILE 43 2.812 0.408 6.463 317 HG23 ILE 43 HG23 ILE 43 4.408 0.599 7.192 318 HD11 ILE 43 HD11 ILE 43 3.645 -0.508 10.648 319 HD12 ILE 43 HD12 ILE 43 4.883 -1.449 9.789 320 HD13 ILE 43 HD13 ILE 43 4.580 0.245 9.347 321 H GLN 44 H GLN 44 1.446 -3.785 4.708 322 HA GLN 44 HA GLN 44 3.162 -3.108 2.398 323 HB2 GLN 44 HB2 GLN 44 3.571 -5.432 1.812 324 HB3 GLN 44 HB3 GLN 44 4.271 -5.043 3.381 325 HG2 GLN 44 HG2 GLN 44 2.350 -6.162 4.516 326 HG3 GLN 44 HG3 GLN 44 1.641 -6.527 2.944 327 HE21 GLN 44 HE22 GLN 44 1.664 -8.775 3.794 328 HE22 GLN 44 HE21 GLN 44 3.131 -9.718 3.598 329 H CYS 45 H CYS 45 2.325 -3.477 0.340 330 HA CYS 45 HA CYS 45 -0.586 -3.447 0.125 331 HB2 CYS 45 HB2 CYS 45 1.634 -3.401 -1.967 332 HB3 CYS 45 HB3 CYS 45 -0.089 -3.210 -2.315 333 HG CYS 45 HG CYS 45 -0.472 -1.088 -0.866 334 H SER 46 H SER 46 -1.702 -4.832 -1.464 335 HA SER 46 HA SER 46 -1.255 -7.633 -0.909 336 HB2 SER 46 HB2 SER 46 -3.308 -6.278 -2.676 337 HB3 SER 46 HB3 SER 46 -3.390 -7.929 -2.029 338 HG SER 46 HG SER 46 -4.457 -6.369 -0.706 339 H LYS 47 H LYS 47 -0.411 -5.625 -3.596 340 HA LYS 47 HA LYS 47 0.284 -8.014 -5.258 341 HB2 LYS 47 HB2 LYS 47 -1.780 -6.416 -5.835 342 HB3 LYS 47 HB3 LYS 47 -0.532 -5.360 -6.449 343 HG2 LYS 47 HG2 LYS 47 -1.408 -6.643 -8.270 344 HG3 LYS 47 HG3 LYS 47 0.233 -7.198 -7.984 345 HD2 LYS 47 HD2 LYS 47 -1.232 -9.073 -8.471 346 HD3 LYS 47 HD3 LYS 47 -0.660 -9.216 -6.809 347 HE2 LYS 47 HE2 LYS 47 -2.808 -8.286 -5.987 348 HE3 LYS 47 HE3 LYS 47 -3.360 -8.068 -7.644 349 HZ1 LYS 47 HZ1 LYS 47 -2.725 -10.691 -6.409 350 HZ2 LYS 47 HZ2 LYS 47 -4.227 -10.112 -6.663 351 HZ3 LYS 47 HZ3 LYS 47 -3.277 -10.473 -7.934 352 H CYS 48 H CYS 48 1.651 -5.381 -3.685 353 HA CYS 48 HA CYS 48 4.206 -5.859 -5.016 354 HB2 CYS 48 HB2 CYS 48 4.718 -3.482 -5.390 355 HB3 CYS 48 HB3 CYS 48 3.374 -4.031 -6.390 356 HG CYS 48 HG CYS 48 1.475 -3.044 -4.984 357 H ASP 49 H ASP 49 6.028 -4.700 -3.820 358 HA ASP 49 HA ASP 49 5.738 -5.420 -1.024 359 HB2 ASP 49 HB2 ASP 49 8.091 -4.199 -2.497 360 HB3 ASP 49 HB3 ASP 49 8.124 -4.876 -0.877 361 H GLU 50 H GLU 50 5.470 -4.201 0.697 362 HA GLU 50 HA GLU 50 5.098 -2.529 2.141 363 HB2 GLU 50 HB2 GLU 50 6.944 -0.829 0.462 364 HB3 GLU 50 HB3 GLU 50 6.407 -0.515 2.110 365 HG2 GLU 50 HG2 GLU 50 7.440 -2.667 2.841 366 HG3 GLU 50 HG3 GLU 50 8.074 -2.900 1.218 367 H VAL 51 H VAL 51 3.542 -0.998 2.674 368 HA VAL 51 HA VAL 51 2.218 0.576 0.510 369 HB VAL 51 HB VAL 51 0.872 1.613 2.239 370 HG11 VAL 51 HG11 VAL 51 0.824 -1.409 2.520 371 HG12 VAL 51 HG12 VAL 51 -0.483 -0.283 2.933 372 HG13 VAL 51 HG13 VAL 51 0.007 -0.445 1.250 373 HG21 VAL 51 HG21 VAL 51 0.876 0.842 4.555 374 HG22 VAL 51 HG22 VAL 51 2.253 -0.230 4.228 375 HG23 VAL 51 HG23 VAL 51 2.439 1.546 4.154 376 H GLY 52 H GLY 52 4.849 0.771 2.721 377 HA2 GLY 52 HA2 GLY 52 4.976 3.494 3.338 378 HA3 GLY 52 HA3 GLY 52 6.324 2.359 3.364 379 H HIS 53 H HIS 53 5.528 2.253 0.206 380 HA HIS 53 HA HIS 53 7.362 4.449 -0.545 381 HB2 HIS 53 HB2 HIS 53 7.626 3.427 -2.650 382 HB3 HIS 53 HB3 HIS 53 7.943 2.295 -1.359 383 HD1 HIS 53 HD1 HIS 53 7.616 0.762 -3.769 384 HD2 HIS 53 HD2 HIS 53 4.244 2.203 -1.712 385 HE1 HIS 53 HE1 HIS 53 5.643 -0.644 -4.538 386 H TYR 54 H TYR 54 5.597 4.111 -3.282 387 HA TYR 54 HA TYR 54 5.304 6.833 -3.144 388 HB2 TYR 54 HB2 TYR 54 4.471 6.846 -5.335 389 HB3 TYR 54 HB3 TYR 54 5.737 5.655 -5.184 390 HD1 TYR 54 HD1 TYR 54 5.108 3.161 -5.172 391 HD2 TYR 54 HD2 TYR 54 2.325 6.306 -6.173 392 HE1 TYR 54 HE1 TYR 54 3.715 1.533 -6.419 393 HE2 TYR 54 HE2 TYR 54 0.948 4.671 -7.446 394 HH TYR 54 HH TYR 54 1.811 1.280 -7.755 395 H ARG 55 H ARG 55 4.000 8.284 -2.640 396 HA ARG 55 HA ARG 55 2.399 9.328 -1.417 397 HB2 ARG 55 HB2 ARG 55 0.679 8.067 -3.574 398 HB3 ARG 55 HB3 ARG 55 0.183 9.409 -2.521 399 HG2 ARG 55 HG2 ARG 55 2.078 10.773 -3.393 400 HG3 ARG 55 HG3 ARG 55 2.517 9.445 -4.473 401 HD2 ARG 55 HD2 ARG 55 1.268 10.999 -5.781 402 HD3 ARG 55 HD3 ARG 55 0.263 9.585 -5.534 403 HE ARG 55 HE ARG 55 -1.265 10.849 -4.344 404 HH11 ARG 55 HH11 ARG 55 1.625 12.827 -4.679 405 HH12 ARG 55 HH12 ARG 55 0.801 14.265 -4.110 406 HH21 ARG 55 HH21 ARG 55 -2.210 12.700 -3.546 407 HH22 ARG 55 HH22 ARG 55 -1.328 14.206 -3.583 408 H SER 56 H SER 56 3.141 6.889 -0.307 409 HA SER 56 HA SER 56 2.786 5.369 1.257 410 HB2 SER 56 HB2 SER 56 1.737 6.147 3.280 411 HB3 SER 56 HB3 SER 56 2.657 7.451 2.513 412 HG SER 56 HG SER 56 0.558 8.114 3.109 413 H GLN 57 H GLN 57 0.065 5.783 -0.656 414 HA GLN 57 HA GLN 57 -0.957 3.112 0.120 415 HB2 GLN 57 HB2 GLN 57 -2.481 5.735 0.173 416 HB3 GLN 57 HB3 GLN 57 -3.351 4.293 -0.287 417 HG2 GLN 57 HG2 GLN 57 -1.918 4.667 2.367 418 HG3 GLN 57 HG3 GLN 57 -3.639 4.812 2.068 419 HE21 GLN 57 HE22 GLN 57 -3.034 3.055 4.016 420 HE22 GLN 57 HE21 GLN 57 -3.227 1.406 3.422 421 H CYS 58 H CYS 58 0.431 4.648 -2.309 422 HA CYS 58 HA CYS 58 0.370 4.761 -4.524 423 HB2 CYS 58 HB2 CYS 58 -1.383 2.291 -4.466 424 HB3 CYS 58 HB3 CYS 58 -0.288 2.800 -5.748 425 HG CYS 58 HG CYS 58 1.910 2.606 -4.318 426 HA PRO 59 HA PRO 59 -4.228 6.100 -5.027 427 HB2 PRO 59 HB2 PRO 59 -4.402 8.669 -4.121 428 HB3 PRO 59 HB3 PRO 59 -4.667 7.243 -3.078 429 HG2 PRO 59 HG2 PRO 59 -2.094 8.834 -3.406 430 HG3 PRO 59 HG3 PRO 59 -2.933 8.391 -1.883 431 HD2 PRO 59 HD2 PRO 59 -0.901 6.863 -2.793 432 HD3 PRO 59 HD3 PRO 59 -2.386 6.127 -2.112 433 H HIS 60 H HIS 60 -4.402 6.480 -7.097 434 HA HIS 60 HA HIS 60 -4.192 7.189 -9.202 435 HB2 HIS 60 HB2 HIS 60 -3.394 9.860 -8.009 436 HB3 HIS 60 HB3 HIS 60 -3.925 9.580 -9.659 437 HD1 HIS 60 HD1 HIS 60 -5.368 9.647 -6.098 438 HD2 HIS 60 HD2 HIS 60 -6.546 9.278 -10.112 439 HE1 HIS 60 HE1 HIS 60 -7.904 9.813 -6.118 440 H LYS 61 H LYS 61 -2.773 8.034 -10.982 441 HA LYS 61 HA LYS 61 -0.093 6.882 -10.819 442 HB2 LYS 61 HB2 LYS 61 -1.492 8.513 -12.979 443 HB3 LYS 61 HB3 LYS 61 0.125 7.831 -13.138 444 HG2 LYS 61 HG2 LYS 61 -0.755 5.556 -12.829 445 HG3 LYS 61 HG3 LYS 61 -2.401 6.198 -12.661 446 HD2 LYS 61 HD2 LYS 61 -2.287 7.159 -14.926 447 HD3 LYS 61 HD3 LYS 61 -0.643 6.556 -15.137 448 HE2 LYS 61 HE2 LYS 61 -3.069 4.790 -14.601 449 HE3 LYS 61 HE3 LYS 61 -2.490 5.189 -16.211 450 HZ1 LYS 61 HZ1 LYS 61 -1.605 3.071 -15.479 451 HZ2 LYS 61 HZ2 LYS 61 -0.382 4.122 -15.681 452 HZ3 LYS 61 HZ3 LYS 61 -0.894 3.738 -14.174 453 H TRP 62 H TRP 62 -1.371 10.176 -10.971 454 HA TRP 62 HA TRP 62 0.917 11.258 -9.497 455 HB2 TRP 62 HB2 TRP 62 1.714 11.339 -11.831 456 HB3 TRP 62 HB3 TRP 62 0.253 12.174 -12.323 457 HD1 TRP 62 HD1 TRP 62 3.602 12.718 -10.682 458 HE1 TRP 62 HE1 TRP 62 4.122 15.217 -10.554 459 HE3 TRP 62 HE3 TRP 62 -0.985 14.566 -11.989 460 HZ2 TRP 62 HZ2 TRP 62 2.733 17.708 -10.927 461 HZ3 TRP 62 HZ3 TRP 62 -1.354 17.016 -12.090 462 HH2 TRP 62 HH2 TRP 62 0.488 18.591 -11.565 463 H LYS 63 H LYS 63 0.226 12.907 -8.206 464 HA LYS 63 HA LYS 63 -2.024 14.616 -8.938 465 HB2 LYS 63 HB2 LYS 63 -2.965 12.449 -7.886 466 HB3 LYS 63 HB3 LYS 63 -2.362 13.055 -6.349 467 HG2 LYS 63 HG2 LYS 63 -3.802 15.055 -6.565 468 HG3 LYS 63 HG3 LYS 63 -4.233 14.591 -8.219 469 HD2 LYS 63 HD2 LYS 63 -5.329 12.540 -7.368 470 HD3 LYS 63 HD3 LYS 63 -4.930 13.018 -5.702 471 HE2 LYS 63 HE2 LYS 63 -6.243 15.096 -5.989 472 HE3 LYS 63 HE3 LYS 63 -6.598 14.661 -7.656 473 HZ1 LYS 63 HZ1 LYS 63 -7.811 12.723 -6.840 474 HZ2 LYS 63 HZ2 LYS 63 -7.483 13.117 -5.281 475 HZ3 LYS 63 HZ3 LYS 63 -8.429 14.080 -6.189 476 H LYS 64 H LYS 64 0.561 15.317 -8.712 477 HA LYS 64 HA LYS 64 1.006 16.630 -6.079 478 HB2 LYS 64 HB2 LYS 64 2.826 16.483 -8.515 479 HB3 LYS 64 HB3 LYS 64 3.231 17.167 -6.945 480 HG2 LYS 64 HG2 LYS 64 2.870 14.941 -5.878 481 HG3 LYS 64 HG3 LYS 64 2.618 14.239 -7.490 482 HD2 LYS 64 HD2 LYS 64 4.888 14.997 -8.167 483 HD3 LYS 64 HD3 LYS 64 5.130 15.699 -6.556 484 HE2 LYS 64 HE2 LYS 64 4.834 13.451 -5.544 485 HE3 LYS 64 HE3 LYS 64 4.628 12.755 -7.148 486 HZ1 LYS 64 HZ1 LYS 64 7.083 14.131 -6.197 487 HZ2 LYS 64 HZ2 LYS 64 6.911 12.521 -6.353 488 HZ3 LYS 64 HZ3 LYS 64 6.896 13.465 -7.679 489 H VAL 65 H VAL 65 2.026 18.804 -6.213 490 HA VAL 65 HA VAL 65 0.793 20.645 -8.204 491 HB VAL 65 HB VAL 65 -0.258 21.053 -6.083 492 HG11 VAL 65 HG11 VAL 65 1.365 20.174 -4.495 493 HG12 VAL 65 HG12 VAL 65 2.513 21.469 -4.905 494 HG13 VAL 65 HG13 VAL 65 0.973 21.846 -4.098 495 HG21 VAL 65 HG21 VAL 65 0.295 23.012 -7.530 496 HG22 VAL 65 HG22 VAL 65 0.115 23.390 -5.813 497 HG23 VAL 65 HG23 VAL 65 1.736 23.304 -6.522 498 H GLN 66 H GLN 66 2.160 22.307 -8.962 499 HA GLN 66 HA GLN 66 4.838 21.448 -9.481 500 HB2 GLN 66 HB2 GLN 66 3.462 24.112 -10.074 501 HB3 GLN 66 HB3 GLN 66 4.990 23.569 -10.737 502 HG2 GLN 66 HG2 GLN 66 3.534 23.123 -12.458 503 HG3 GLN 66 HG3 GLN 66 3.746 21.550 -11.709 504 HE21 GLN 66 HE22 GLN 66 1.648 21.516 -13.265 505 HE22 GLN 66 HE21 GLN 66 0.139 21.787 -12.398 506 H CYS 67 H CYS 67 3.620 23.187 -6.841 507 HA CYS 67 HA CYS 67 6.262 24.436 -6.230 508 HB2 CYS 67 HB2 CYS 67 3.466 25.263 -5.378 509 HB3 CYS 67 HB3 CYS 67 4.971 26.018 -4.826 510 HG CYS 67 HG CYS 67 5.850 26.695 -7.168 511 H THR 68 H THR 68 6.686 24.697 -3.958 512 HA THR 68 HA THR 68 6.749 21.979 -2.808 513 HB THR 68 HB THR 68 9.023 22.805 -2.110 514 HG1 THR 68 HG1 THR 68 9.535 24.873 -2.959 515 HG21 THR 68 HG21 THR 68 8.517 23.397 -5.074 516 HG22 THR 68 HG22 THR 68 10.027 22.868 -4.321 517 HG23 THR 68 HG23 THR 68 8.650 21.758 -4.418 518 H LEU 69 H LEU 69 5.439 24.948 -2.054 519 HA LEU 69 HA LEU 69 5.132 24.238 0.819 520 HB2 LEU 69 HB2 LEU 69 5.350 26.585 1.446 521 HB3 LEU 69 HB3 LEU 69 6.791 25.958 0.681 522 HG LEU 69 HG LEU 69 5.866 27.086 -1.519 523 HD11 LEU 69 HD11 LEU 69 3.629 27.752 -0.710 524 HD12 LEU 69 HD12 LEU 69 4.371 28.670 0.619 525 HD13 LEU 69 HD13 LEU 69 4.607 29.173 -1.071 526 HD21 LEU 69 HD21 LEU 69 6.937 28.692 0.833 527 HD22 LEU 69 HD22 LEU 69 7.889 27.775 -0.351 528 HD23 LEU 69 HD23 LEU 69 6.980 29.195 -0.877 529 H CYS 70 H CYS 70 3.542 24.596 -2.052 530 HA CYS 70 HA CYS 70 1.148 25.983 -1.049 531 HB2 CYS 70 HB2 CYS 70 1.776 24.737 -3.754 532 HB3 CYS 70 HB3 CYS 70 0.366 25.733 -3.379 533 HG CYS 70 HG CYS 70 1.657 27.878 -2.689 534 H LYS 71 H LYS 71 -0.966 25.068 -1.123 535 HA LYS 71 HA LYS 71 -1.145 22.092 -1.007 536 HB2 LYS 71 HB2 LYS 71 -1.032 23.652 1.253 537 HB3 LYS 71 HB3 LYS 71 -2.758 23.676 0.963 538 HG2 LYS 71 HG2 LYS 71 -2.246 21.894 2.478 539 HG3 LYS 71 HG3 LYS 71 -2.724 21.140 0.954 540 HD2 LYS 71 HD2 LYS 71 -0.360 20.692 0.399 541 HD3 LYS 71 HD3 LYS 71 0.169 21.620 1.816 542 HE2 LYS 71 HE2 LYS 71 -1.003 19.999 3.288 543 HE3 LYS 71 HE3 LYS 71 -1.498 19.074 1.873 544 HZ1 LYS 71 HZ1 LYS 71 0.503 18.147 2.885 545 HZ2 LYS 71 HZ2 LYS 71 0.858 18.682 1.388 546 HZ3 LYS 71 HZ3 LYS 71 1.315 19.547 2.698 547 H SER 72 H SER 72 -2.193 24.486 -2.802 548 HA SER 72 HA SER 72 -4.603 23.006 -3.588 549 HB2 SER 72 HB2 SER 72 -5.496 24.648 -1.976 550 HB3 SER 72 HB3 SER 72 -4.786 25.964 -2.936 551 HG SER 72 HG SER 72 -6.964 25.423 -3.527 552 H LYS 73 H LYS 73 -5.338 23.563 -5.706 553 HA LYS 73 HA LYS 73 -3.095 24.181 -7.500 554 HB2 LYS 73 HB2 LYS 73 -5.928 23.290 -8.172 555 HB3 LYS 73 HB3 LYS 73 -4.542 23.294 -9.251 556 HG2 LYS 73 HG2 LYS 73 -4.968 21.496 -6.837 557 HG3 LYS 73 HG3 LYS 73 -5.010 21.052 -8.539 558 HD2 LYS 73 HD2 LYS 73 -2.547 21.704 -8.691 559 HD3 LYS 73 HD3 LYS 73 -2.579 21.963 -6.943 560 HE2 LYS 73 HE2 LYS 73 -1.720 19.790 -7.214 561 HE3 LYS 73 HE3 LYS 73 -3.377 19.580 -6.667 562 HZ1 LYS 73 HZ1 LYS 73 -3.994 19.127 -8.999 563 HZ2 LYS 73 HZ2 LYS 73 -2.438 19.339 -9.472 564 HZ3 LYS 73 HZ3 LYS 73 -2.822 18.097 -8.506 565 H LYS 74 H LYS 74 -6.030 25.857 -6.540 566 HA LYS 74 HA LYS 74 -5.906 27.674 -8.862 567 HB2 LYS 74 HB2 LYS 74 -8.052 26.697 -8.010 568 HB3 LYS 74 HB3 LYS 74 -7.915 27.744 -6.593 569 HG2 LYS 74 HG2 LYS 74 -7.898 29.742 -8.101 570 HG3 LYS 74 HG3 LYS 74 -7.970 28.671 -9.507 571 HD2 LYS 74 HD2 LYS 74 -10.172 27.821 -8.759 572 HD3 LYS 74 HD3 LYS 74 -10.104 28.893 -7.341 573 HE2 LYS 74 HE2 LYS 74 -9.989 30.863 -8.836 574 HE3 LYS 74 HE3 LYS 74 -10.017 29.811 -10.246 575 HZ1 LYS 74 HZ1 LYS 74 -12.217 30.682 -9.773 576 HZ2 LYS 74 HZ2 LYS 74 -12.237 29.068 -9.565 577 HZ3 LYS 74 HZ3 LYS 74 -12.214 30.063 -8.266 578 H HIS 75 H HIS 75 -3.748 28.346 -8.242 579 HA HIS 75 HA HIS 75 -3.874 30.895 -6.747 580 HB2 HIS 75 HB2 HIS 75 -1.923 30.475 -5.453 581 HB3 HIS 75 HB3 HIS 75 -3.010 29.127 -5.188 582 HD1 HIS 75 HD1 HIS 75 -2.015 26.724 -5.784 583 HD2 HIS 75 HD2 HIS 75 0.313 29.978 -7.052 584 HE1 HIS 75 HE1 HIS 75 0.143 25.751 -6.639 585 H SER 76 H SER 76 -1.696 32.056 -6.999 586 HA SER 76 HA SER 76 -0.482 31.734 -9.696 587 HB2 SER 76 HB2 SER 76 -2.222 33.465 -9.881 588 HB3 SER 76 HB3 SER 76 -1.490 34.350 -8.527 589 HG SER 76 HG SER 76 -0.728 35.007 -10.615 590 H LYS 77 H LYS 77 1.572 33.035 -9.829 591 HA LYS 77 HA LYS 77 3.400 32.510 -7.662 592 HB2 LYS 77 HB2 LYS 77 3.630 34.276 -10.138 593 HB3 LYS 77 HB3 LYS 77 4.956 33.946 -9.021 594 HG2 LYS 77 HG2 LYS 77 4.740 31.518 -9.450 595 HG3 LYS 77 HG3 LYS 77 3.444 31.836 -10.618 596 HD2 LYS 77 HD2 LYS 77 4.983 33.180 -11.996 597 HD3 LYS 77 HD3 LYS 77 6.301 32.892 -10.858 598 HE2 LYS 77 HE2 LYS 77 4.797 30.716 -12.375 599 HE3 LYS 77 HE3 LYS 77 6.305 31.435 -12.918 600 HZ1 LYS 77 HZ1 LYS 77 7.370 30.614 -10.893 601 HZ2 LYS 77 HZ2 LYS 77 5.977 29.920 -10.390 602 HZ3 LYS 77 HZ3 LYS 77 6.721 29.382 -11.734 603 H GLU 78 H GLU 78 1.541 35.395 -8.518 604 HA GLU 78 HA GLU 78 2.719 37.110 -6.478 605 HB2 GLU 78 HB2 GLU 78 1.647 37.909 -8.571 606 HB3 GLU 78 HB3 GLU 78 0.104 37.284 -8.017 607 HG2 GLU 78 HG2 GLU 78 0.232 39.692 -7.736 608 HG3 GLU 78 HG3 GLU 78 0.033 38.903 -6.191 609 H ARG 79 H ARG 79 0.296 34.636 -6.418 610 HA ARG 79 HA ARG 79 -0.909 35.570 -3.866 611 HB2 ARG 79 HB2 ARG 79 -2.236 35.136 -6.019 612 HB3 ARG 79 HB3 ARG 79 -1.969 33.417 -5.723 613 HG2 ARG 79 HG2 ARG 79 -3.153 33.602 -3.553 614 HG3 ARG 79 HG3 ARG 79 -3.333 35.346 -3.780 615 HD2 ARG 79 HD2 ARG 79 -4.507 33.176 -5.560 616 HD3 ARG 79 HD3 ARG 79 -5.390 34.068 -4.318 617 HE ARG 79 HE ARG 79 -4.558 36.138 -5.787 618 HH11 ARG 79 HH11 ARG 79 -6.101 33.184 -6.897 619 HH12 ARG 79 HH12 ARG 79 -6.653 33.931 -8.381 620 HH21 ARG 79 HH21 ARG 79 -5.318 37.027 -7.666 621 HH22 ARG 79 HH22 ARG 79 -6.254 36.065 -8.781 622 H CYS 80 H CYS 80 1.287 33.192 -4.972 623 HA CYS 80 HA CYS 80 1.007 30.979 -3.420 624 HB2 CYS 80 HB2 CYS 80 3.484 32.576 -4.120 625 HB3 CYS 80 HB3 CYS 80 3.588 31.057 -3.218 626 HG CYS 80 HG CYS 80 2.050 31.513 -6.102 627 HA PRO 81 HA PRO 81 0.358 32.466 0.574 628 HB2 PRO 81 HB2 PRO 81 1.646 29.933 1.602 629 HB3 PRO 81 HB3 PRO 81 0.106 30.696 2.112 630 HG2 PRO 81 HG2 PRO 81 0.057 28.625 0.389 631 HG3 PRO 81 HG3 PRO 81 -0.960 30.066 0.060 632 HD2 PRO 81 HD2 PRO 81 1.704 29.329 -1.159 633 HD3 PRO 81 HD3 PRO 81 0.217 29.961 -1.927 634 H SER 82 H SER 82 3.729 31.430 0.181 635 HA SER 82 HA SER 82 4.581 33.252 2.411 636 HB2 SER 82 HB2 SER 82 5.939 30.741 1.398 637 HB3 SER 82 HB3 SER 82 6.655 31.871 2.561 638 HG SER 82 HG SER 82 4.306 30.413 2.932 639 H ILE 83 H ILE 83 4.215 33.894 -0.604 640 HA ILE 83 HA ILE 83 6.860 34.238 -1.629 641 HB ILE 83 HB ILE 83 4.771 34.094 -2.989 642 HG12 ILE 83 HG12 ILE 83 5.429 35.714 -4.735 643 HG13 ILE 83 HG13 ILE 83 6.533 36.498 -3.618 644 HG21 ILE 83 HG21 ILE 83 3.398 36.020 -3.417 645 HG22 ILE 83 HG22 ILE 83 3.402 35.744 -1.669 646 HG23 ILE 83 HG23 ILE 83 4.389 37.048 -2.368 647 HD11 ILE 83 HD11 ILE 83 6.716 33.571 -4.474 648 HD12 ILE 83 HD12 ILE 83 7.635 34.901 -5.202 649 HD13 ILE 83 HD13 ILE 83 7.922 34.463 -3.514 650 H TRP 84 H TRP 84 8.233 35.996 -1.773 651 HA TRP 84 HA TRP 84 8.204 37.830 0.460 652 HB2 TRP 84 HB2 TRP 84 10.304 37.007 -0.282 653 HB3 TRP 84 HB3 TRP 84 9.987 37.477 -1.948 654 HD1 TRP 84 HD1 TRP 84 11.076 39.592 -2.709 655 HE1 TRP 84 HE1 TRP 84 11.996 41.735 -1.670 656 HE3 TRP 84 HE3 TRP 84 9.930 38.669 2.191 657 HZ2 TRP 84 HZ2 TRP 84 12.115 42.964 0.924 658 HZ3 TRP 84 HZ3 TRP 84 10.434 40.373 3.923 659 HH2 TRP 84 HH2 TRP 84 11.515 42.516 3.306 660 H ARG 85 H ARG 85 7.767 39.922 0.609 661 HA ARG 85 HA ARG 85 7.674 41.700 -1.659 662 HB2 ARG 85 HB2 ARG 85 5.469 42.636 -1.308 663 HB3 ARG 85 HB3 ARG 85 5.356 40.925 -1.696 664 HG2 ARG 85 HG2 ARG 85 5.051 40.452 0.790 665 HG3 ARG 85 HG3 ARG 85 5.040 42.202 1.060 666 HD2 ARG 85 HD2 ARG 85 2.771 41.499 1.014 667 HD3 ARG 85 HD3 ARG 85 3.061 42.377 -0.477 668 HE ARG 85 HE ARG 85 2.698 39.422 -0.145 669 HH11 ARG 85 HH11 ARG 85 3.017 42.120 -2.433 670 HH12 ARG 85 HH12 ARG 85 2.571 41.040 -3.753 671 HH21 ARG 85 HH21 ARG 85 2.087 38.232 -1.955 672 HH22 ARG 85 HH22 ARG 85 2.069 39.059 -3.497 673 H ALA 86 H ALA 86 8.061 43.840 -1.113 674 HA ALA 86 HA ALA 86 9.294 44.202 1.520 675 HB1 ALA 86 HB1 ALA 86 10.182 46.268 0.535 676 HB2 ALA 86 HB2 ALA 86 10.476 44.869 -0.510 677 HB3 ALA 86 HB3 ALA 86 9.179 46.020 -0.910 678 H TYR 87 H TYR 87 9.000 46.053 2.854 679 HA TYR 87 HA TYR 87 6.357 47.428 2.802 680 HB2 TYR 87 HB2 TYR 87 7.580 45.892 5.129 681 HB3 TYR 87 HB3 TYR 87 6.283 47.054 5.305 682 HD1 TYR 87 HD2 TYR 87 4.025 46.633 4.507 683 HD2 TYR 87 HD1 TYR 87 7.128 43.658 4.153 684 HE1 TYR 87 HE2 TYR 87 2.302 44.872 4.137 685 HE2 TYR 87 HE1 TYR 87 5.407 41.904 3.788 686 HH TYR 87 HH TYR 87 3.104 41.485 3.673 687 H ILE 88 H ILE 88 6.346 49.485 3.704 688 HA ILE 88 HA ILE 88 8.891 50.739 4.493 689 HB ILE 88 HB ILE 88 7.321 52.005 3.164 690 HG12 ILE 88 HG12 ILE 88 7.610 53.211 5.946 691 HG13 ILE 88 HG13 ILE 88 8.903 53.099 4.751 692 HG21 ILE 88 HG21 ILE 88 5.163 51.065 4.045 693 HG22 ILE 88 HG22 ILE 88 5.392 52.030 5.526 694 HG23 ILE 88 HG23 ILE 88 5.185 52.819 3.957 695 HD11 ILE 88 HD11 ILE 88 7.988 55.326 4.705 696 HD12 ILE 88 HD12 ILE 88 7.554 54.514 3.190 697 HD13 ILE 88 HD13 ILE 88 6.341 54.723 4.480 698 H LEU 89 H LEU 89 5.957 49.562 6.052 699 HA LEU 89 HA LEU 89 5.319 49.209 8.150 700 HB2 LEU 89 HB2 LEU 89 7.261 47.569 7.577 701 HB3 LEU 89 HB3 LEU 89 8.179 48.467 8.771 702 HG LEU 89 HG LEU 89 6.422 47.857 10.498 703 HD11 LEU 89 HD11 LEU 89 4.453 47.476 9.075 704 HD12 LEU 89 HD12 LEU 89 5.303 46.177 8.206 705 HD13 LEU 89 HD13 LEU 89 4.868 45.982 9.916 706 HD21 LEU 89 HD21 LEU 89 7.099 45.503 10.666 707 HD22 LEU 89 HD22 LEU 89 7.644 45.518 8.973 708 HD23 LEU 89 HD23 LEU 89 8.474 46.513 10.189 709 H VAL 90 H VAL 90 6.068 51.955 7.739 710 HA VAL 90 HA VAL 90 6.155 52.827 10.577 711 HB VAL 90 HB VAL 90 7.770 54.119 8.338 712 HG11 VAL 90 HG11 VAL 90 6.834 55.872 9.784 713 HG12 VAL 90 HG12 VAL 90 7.378 54.995 11.235 714 HG13 VAL 90 HG13 VAL 90 8.555 55.689 10.102 715 HG21 VAL 90 HG21 VAL 90 9.721 53.658 9.798 716 HG22 VAL 90 HG22 VAL 90 8.664 52.802 10.943 717 HG23 VAL 90 HG23 VAL 90 8.929 52.159 9.306 718 H ASP 91 H ASP 91 4.718 54.451 11.023 719 HA ASP 91 HA ASP 91 3.072 55.597 8.837 720 HB2 ASP 91 HB2 ASP 91 1.037 54.760 9.743 721 HB3 ASP 91 HB3 ASP 91 2.105 53.398 9.482 722 H ASP 92 H ASP 92 1.461 57.134 9.588 723 HA ASP 92 HA ASP 92 2.551 58.941 11.658 724 HB2 ASP 92 HB2 ASP 92 1.706 60.729 10.356 725 HB3 ASP 92 HB3 ASP 92 2.572 59.655 9.278 726 H ASN 93 H ASN 93 0.388 56.685 11.982 727 HA ASN 93 HA ASN 93 -1.980 58.161 12.884 728 HB2 ASN 93 HB2 ASN 93 -1.224 55.234 13.248 729 HB3 ASN 93 HB3 ASN 93 -2.801 55.940 13.552 730 HD21 ASN 93 HD22 ASN 93 -1.436 53.979 11.428 731 HD22 ASN 93 HD21 ASN 93 -2.307 54.463 9.972 732 H GLU 94 H GLU 94 -2.804 57.562 15.183 733 HA GLU 94 HA GLU 94 -1.052 58.713 17.124 734 HB2 GLU 94 HB2 GLU 94 -3.525 58.813 17.176 735 HB3 GLU 94 HB3 GLU 94 -3.585 57.090 17.567 736 HG2 GLU 94 HG2 GLU 94 -2.324 57.530 19.661 737 HG3 GLU 94 HG3 GLU 94 -2.208 59.234 19.241 738 H LYS 95 H LYS 95 0.546 57.878 18.244 739 HA LYS 95 HA LYS 95 0.761 55.011 18.915 740 HB2 LYS 95 HB2 LYS 95 2.991 54.834 17.911 741 HB3 LYS 95 HB3 LYS 95 1.751 55.166 16.711 742 HG2 LYS 95 HG2 LYS 95 2.455 57.632 16.813 743 HG3 LYS 95 HG3 LYS 95 3.827 57.106 17.800 744 HD2 LYS 95 HD2 LYS 95 4.586 55.628 15.959 745 HD3 LYS 95 HD3 LYS 95 3.177 56.112 14.990 746 HE2 LYS 95 HE2 LYS 95 3.932 58.467 15.073 747 HE3 LYS 95 HE3 LYS 95 5.344 57.994 16.013 748 HZ1 LYS 95 HZ1 LYS 95 4.745 57.123 13.249 749 HZ2 LYS 95 HZ2 LYS 95 5.887 58.197 13.664 750 HZ3 LYS 95 HZ3 LYS 95 6.046 56.625 14.100 751 H ALA 96 H ALA 96 2.177 54.528 20.559 752 HA ALA 96 HA ALA 96 2.763 54.768 22.719 753 HB1 ALA 96 HB1 ALA 96 4.105 57.366 21.899 754 HB2 ALA 96 HB2 ALA 96 4.485 56.352 23.301 755 HB3 ALA 96 HB3 ALA 96 4.791 55.744 21.672 756 H LYS 97 H LYS 97 2.838 56.587 24.643 757 HA LYS 97 HA LYS 97 0.583 58.427 24.543 758 HB2 LYS 97 HB2 LYS 97 -0.543 57.534 26.541 759 HB3 LYS 97 HB3 LYS 97 -0.660 56.469 25.168 760 HG2 LYS 97 HG2 LYS 97 1.555 55.981 27.181 761 HG3 LYS 97 HG3 LYS 97 -0.093 55.639 27.664 762 HD2 LYS 97 HD2 LYS 97 1.245 54.395 25.225 763 HD3 LYS 97 HD3 LYS 97 1.110 53.654 26.823 764 HE2 LYS 97 HE2 LYS 97 -1.381 53.852 26.679 765 HE3 LYS 97 HE3 LYS 97 -1.221 54.464 25.038 766 HZ1 LYS 97 HZ1 LYS 97 -0.338 51.786 25.957 767 HZ2 LYS 97 HZ2 LYS 97 -1.649 52.090 25.043 768 HZ3 LYS 97 HZ3 LYS 97 -0.161 52.348 24.431 769 HA PRO 98 HA PRO 98 2.995 60.694 27.601 770 HB2 PRO 98 HB2 PRO 98 0.352 61.264 28.932 771 HB3 PRO 98 HB3 PRO 98 1.650 62.405 28.469 772 HG2 PRO 98 HG2 PRO 98 -0.586 62.231 26.973 773 HG3 PRO 98 HG3 PRO 98 1.014 62.288 26.161 774 HD2 PRO 98 HD2 PRO 98 -0.671 59.850 26.809 775 HD3 PRO 98 HD3 PRO 98 0.102 60.312 25.261 776 H LYS 99 H LYS 99 2.794 61.073 30.198 777 HA LYS 99 HA LYS 99 3.506 58.614 31.448 778 HB2 LYS 99 HB2 LYS 99 4.283 61.080 31.805 779 HB3 LYS 99 HB3 LYS 99 2.933 61.193 32.927 780 HG2 LYS 99 HG2 LYS 99 3.939 59.344 34.279 781 HG3 LYS 99 HG3 LYS 99 5.223 59.178 33.065 782 HD2 LYS 99 HD2 LYS 99 5.948 61.523 33.543 783 HD3 LYS 99 HD3 LYS 99 4.642 61.673 34.718 784 HE2 LYS 99 HE2 LYS 99 6.635 61.248 35.942 785 HE3 LYS 99 HE3 LYS 99 5.632 59.810 36.044 786 HZ1 LYS 99 HZ1 LYS 99 7.932 60.141 34.193 787 HZ2 LYS 99 HZ2 LYS 99 7.974 59.298 35.583 788 HZ3 LYS 99 HZ3 LYS 99 7.040 58.778 34.355 789 H VAL 100 H VAL 100 0.549 59.109 30.660 790 HA VAL 100 HA VAL 100 -1.522 58.513 31.206 791 HB VAL 100 HB VAL 100 -0.348 56.803 33.413 792 HG11 VAL 100 HG11 VAL 100 -2.995 56.653 31.906 793 HG12 VAL 100 HG12 VAL 100 -2.379 55.438 33.046 794 HG13 VAL 100 HG13 VAL 100 -2.785 57.051 33.629 795 HG21 VAL 100 HG21 VAL 100 -0.908 56.190 30.474 796 HG22 VAL 100 HG22 VAL 100 0.690 56.238 31.250 797 HG23 VAL 100 HG23 VAL 100 -0.468 54.990 31.709 798 H LEU 101 H LEU 101 -3.074 59.722 31.928 799 HA LEU 101 HA LEU 101 -2.676 61.551 34.104 800 HB2 LEU 101 HB2 LEU 101 -4.690 62.538 33.509 801 HB3 LEU 101 HB3 LEU 101 -3.935 62.055 32.006 802 HG LEU 101 HG LEU 101 -6.278 60.656 33.388 803 HD11 LEU 101 HD11 LEU 101 -7.587 61.536 31.508 804 HD12 LEU 101 HD12 LEU 101 -6.814 62.854 32.401 805 HD13 LEU 101 HD13 LEU 101 -6.139 62.324 30.844 806 HD21 LEU 101 HD21 LEU 101 -4.974 60.059 30.692 807 HD22 LEU 101 HD22 LEU 101 -5.063 58.963 32.103 808 HD23 LEU 101 HD23 LEU 101 -6.532 59.406 31.242 809 HA PRO 102 HA PRO 102 -4.314 59.228 37.476 810 HB2 PRO 102 HB2 PRO 102 -5.671 61.716 38.475 811 HB3 PRO 102 HB3 PRO 102 -4.558 60.609 39.329 812 HG2 PRO 102 HG2 PRO 102 -3.682 63.007 38.416 813 HG3 PRO 102 HG3 PRO 102 -2.663 61.543 38.227 814 HD2 PRO 102 HD2 PRO 102 -4.482 62.834 36.171 815 HD3 PRO 102 HD3 PRO 102 -2.785 62.290 36.003 816 H PHE 103 H PHE 103 -5.954 57.816 37.501 817 HA PHE 103 HA PHE 103 -8.678 58.507 36.549 818 HB2 PHE 103 HB2 PHE 103 -7.390 55.927 37.504 819 HB3 PHE 103 HB3 PHE 103 -9.089 56.076 37.105 820 HD1 PHE 103 HD1 PHE 103 -5.651 56.177 35.672 821 HD2 PHE 103 HD2 PHE 103 -9.880 56.195 34.836 822 HE1 PHE 103 HE1 PHE 103 -5.182 55.756 33.274 823 HE2 PHE 103 HE2 PHE 103 -9.404 55.764 32.441 824 HZ PHE 103 HZ PHE 103 -7.057 55.546 31.657 825 H HIS 104 H HIS 104 -6.951 58.015 39.555 826 HA HIS 104 HA HIS 104 -9.284 58.906 41.143 827 HB2 HIS 104 HB2 HIS 104 -7.546 56.525 41.897 828 HB3 HIS 104 HB3 HIS 104 -8.876 57.191 42.836 829 HD1 HIS 104 HD1 HIS 104 -8.208 54.551 40.344 830 HD2 HIS 104 HD2 HIS 104 -11.426 56.979 41.515 831 HE1 HIS 104 HE1 HIS 104 -10.303 53.435 39.445 832 H THR 105 H THR 105 -8.621 59.740 43.254 833 HA THR 105 HA THR 105 -5.763 60.620 43.445 834 HB THR 105 HB THR 105 -6.696 62.684 44.528 835 HG1 THR 105 HG1 THR 105 -8.935 63.014 43.969 836 HG21 THR 105 HG21 THR 105 -7.668 62.289 41.661 837 HG22 THR 105 HG22 THR 105 -7.315 63.829 42.476 838 HG23 THR 105 HG23 THR 105 -6.003 62.698 42.127 839 H ILE 106 H ILE 106 -4.837 60.674 45.437 840 HA ILE 106 HA ILE 106 -6.170 59.091 47.538 841 HB ILE 106 HB ILE 106 -3.968 58.991 48.615 842 HG12 ILE 106 HG12 ILE 106 -1.946 59.431 47.208 843 HG13 ILE 106 HG13 ILE 106 -2.919 60.403 46.116 844 HG21 ILE 106 HG21 ILE 106 -4.857 57.269 47.073 845 HG22 ILE 106 HG22 ILE 106 -4.019 58.056 45.720 846 HG23 ILE 106 HG23 ILE 106 -3.093 57.351 47.058 847 HD11 ILE 106 HD11 ILE 106 -2.565 60.982 49.092 848 HD12 ILE 106 HD12 ILE 106 -1.568 61.684 47.805 849 HD13 ILE 106 HD13 ILE 106 -3.294 62.065 47.876 850 H TYR 107 H TYR 107 -5.979 59.658 49.795 851 HA TYR 107 HA TYR 107 -7.266 62.229 50.170 852 HB2 TYR 107 HB2 TYR 107 -6.545 60.062 52.170 853 HB3 TYR 107 HB3 TYR 107 -7.625 61.419 52.454 854 HD1 TYR 107 HD1 TYR 107 -9.859 61.523 51.490 855 HD2 TYR 107 HD2 TYR 107 -7.288 58.130 50.794 856 HE1 TYR 107 HE1 TYR 107 -11.791 60.233 50.588 857 HE2 TYR 107 HE2 TYR 107 -9.216 56.849 49.901 858 HH TYR 107 HH TYR 107 -11.512 56.937 49.426 859 H CYS 108 H CYS 108 -6.750 63.769 51.877 860 HA CYS 108 HA CYS 108 -4.052 63.721 52.997 861 HB2 CYS 108 HB2 CYS 108 -3.836 64.944 50.801 862 HB3 CYS 108 HB3 CYS 108 -4.977 66.159 51.419 863 HG CYS 108 HG CYS 108 -2.137 65.190 52.805 864 H TYR 109 H TYR 109 -3.906 64.624 54.948 865 HA TYR 109 HA TYR 109 -6.197 66.186 56.070 866 HB2 TYR 109 HB2 TYR 109 -4.825 63.855 57.449 867 HB3 TYR 109 HB3 TYR 109 -6.217 64.753 58.019 868 HD1 TYR 109 HD2 TYR 109 -8.415 64.604 56.718 869 HD2 TYR 109 HD1 TYR 109 -5.110 61.910 56.085 870 HE1 TYR 109 HE2 TYR 109 -9.960 62.937 55.694 871 HE2 TYR 109 HE1 TYR 109 -6.652 60.251 55.064 872 HH TYR 109 HH TYR 109 -8.886 59.803 54.527 873 H ASN 110 H ASN 110 -2.793 66.094 55.705 874 HA ASN 110 HA ASN 110 -2.213 66.752 58.494 875 HB2 ASN 110 HB2 ASN 110 0.092 66.333 57.955 876 HB3 ASN 110 HB3 ASN 110 -0.943 65.013 57.425 877 HD21 ASN 110 HD22 ASN 110 1.544 64.993 56.420 878 HD22 ASN 110 HD21 ASN 110 1.492 65.527 54.738 879 H CYS 111 H CYS 111 -1.598 68.457 55.408 880 HA CYS 111 HA CYS 111 -1.278 71.011 56.931 881 HB2 CYS 111 HB2 CYS 111 0.155 71.733 55.090 882 HB3 CYS 111 HB3 CYS 111 0.758 70.228 55.798 883 HG CYS 111 HG CYS 111 1.082 70.183 53.200 884 H GLY 112 H GLY 112 -3.627 69.479 55.357 885 HA2 GLY 112 HA2 GLY 112 -5.394 71.603 54.960 886 HA3 GLY 112 HA3 GLY 112 -4.613 71.316 53.398 887 H GLY 113 H GLY 113 -7.021 70.864 53.000 888 HA2 GLY 113 HA2 GLY 113 -7.999 68.164 53.621 889 HA3 GLY 113 HA3 GLY 113 -8.706 69.322 52.498 890 H LYS 114 H LYS 114 -8.776 66.890 51.646 891 HA LYS 114 HA LYS 114 -6.673 65.741 50.136 892 HB2 LYS 114 HB2 LYS 114 -8.812 64.660 50.650 893 HB3 LYS 114 HB3 LYS 114 -9.680 65.811 49.630 894 HG2 LYS 114 HG2 LYS 114 -8.597 64.967 47.629 895 HG3 LYS 114 HG3 LYS 114 -7.495 63.972 48.600 896 HD2 LYS 114 HD2 LYS 114 -9.464 62.657 49.422 897 HD3 LYS 114 HD3 LYS 114 -10.525 63.628 48.377 898 HE2 LYS 114 HE2 LYS 114 -9.327 62.896 46.388 899 HE3 LYS 114 HE3 LYS 114 -8.112 62.082 47.359 900 HZ1 LYS 114 HZ1 LYS 114 -9.895 60.579 48.153 901 HZ2 LYS 114 HZ2 LYS 114 -10.950 61.283 47.106 902 HZ3 LYS 114 HZ3 LYS 114 -9.631 60.493 46.550 903 H GLY 115 H GLY 115 -5.887 66.001 48.070 904 HA2 GLY 115 HA2 GLY 115 -6.864 67.190 45.874 905 HA3 GLY 115 HA3 GLY 115 -6.372 68.623 46.770 906 H HIS 116 H HIS 116 -3.939 66.596 47.643 907 HA HIS 116 HA HIS 116 -2.432 66.818 45.092 908 HB2 HIS 116 HB2 HIS 116 -0.742 68.129 45.855 909 HB3 HIS 116 HB3 HIS 116 -2.135 68.916 46.551 910 HD1 HIS 116 HD1 HIS 116 1.153 68.539 47.494 911 HD2 HIS 116 HD2 HIS 116 -2.473 67.528 49.364 912 HE1 HIS 116 HE1 HIS 116 1.625 68.476 49.983 913 H PHE 117 H PHE 117 0.056 66.084 45.918 914 HA PHE 117 HA PHE 117 -0.129 63.237 46.365 915 HB2 PHE 117 HB2 PHE 117 2.248 65.116 46.213 916 HB3 PHE 117 HB3 PHE 117 2.352 63.363 46.241 917 HD1 PHE 117 HD1 PHE 117 1.180 62.015 44.400 918 HD2 PHE 117 HD2 PHE 117 1.946 66.248 44.111 919 HE1 PHE 117 HE1 PHE 117 0.894 61.902 41.939 920 HE2 PHE 117 HE2 PHE 117 1.656 66.126 41.651 921 HZ PHE 117 HZ PHE 117 1.128 63.957 40.563 922 H GLY 118 H GLY 118 -1.382 64.322 48.478 923 HA2 GLY 118 HA2 GLY 118 -0.178 65.001 50.857 924 HA3 GLY 118 HA3 GLY 118 -1.693 64.114 50.691 925 H ASP 119 H ASP 119 -0.211 61.764 49.447 926 HA ASP 119 HA ASP 119 0.531 60.331 51.886 927 HB2 ASP 119 HB2 ASP 119 -0.633 59.261 49.976 928 HB3 ASP 119 HB3 ASP 119 0.750 59.603 48.944 929 H ASP 120 H ASP 120 2.295 61.634 49.069 930 HA ASP 120 HA ASP 120 4.905 60.712 50.068 931 HB2 ASP 120 HB2 ASP 120 4.178 60.485 47.684 932 HB3 ASP 120 HB3 ASP 120 4.168 62.239 47.551 933 H CYS 121 H CYS 121 2.999 63.544 50.355 934 HA CYS 121 HA CYS 121 4.987 65.534 50.338 935 HB2 CYS 121 HB2 CYS 121 3.325 67.023 50.974 936 HB3 CYS 121 HB3 CYS 121 2.438 65.767 50.110 937 HG CYS 121 HG CYS 121 1.662 64.471 52.284 938 H LYS 122 H LYS 122 5.017 63.142 52.541 939 HA LYS 122 HA LYS 122 5.442 64.323 55.089 940 HB2 LYS 122 HB2 LYS 122 6.723 61.862 53.825 941 HB3 LYS 122 HB3 LYS 122 6.826 62.292 55.533 942 HG2 LYS 122 HG2 LYS 122 4.330 62.198 55.685 943 HG3 LYS 122 HG3 LYS 122 4.260 61.607 54.022 944 HD2 LYS 122 HD2 LYS 122 5.747 60.254 56.314 945 HD3 LYS 122 HD3 LYS 122 4.126 59.813 55.808 946 HE2 LYS 122 HE2 LYS 122 6.506 59.713 53.912 947 HE3 LYS 122 HE3 LYS 122 6.103 58.382 54.983 948 HZ1 LYS 122 HZ1 LYS 122 5.108 58.110 52.781 949 HZ2 LYS 122 HZ2 LYS 122 3.950 58.192 53.929 950 HZ3 LYS 122 HZ3 LYS 122 4.233 59.466 52.962 951 H GLU 123 H GLU 123 7.160 65.181 56.134 952 HA GLU 123 HA GLU 123 9.265 66.369 54.428 953 HB2 GLU 123 HB2 GLU 123 8.437 66.957 57.287 954 HB3 GLU 123 HB3 GLU 123 9.679 67.823 56.376 955 HG2 GLU 123 HG2 GLU 123 7.961 68.431 54.660 956 HG3 GLU 123 HG3 GLU 123 6.725 67.693 55.670 957 H LYS 124 H LYS 124 11.449 66.669 55.290 958 HA LYS 124 HA LYS 124 12.539 64.524 57.020 959 HB2 LYS 124 HB2 LYS 124 12.761 63.773 54.658 960 HB3 LYS 124 HB3 LYS 124 13.656 65.248 54.281 961 HG2 LYS 124 HG2 LYS 124 15.420 64.592 55.906 962 HG3 LYS 124 HG3 LYS 124 14.497 63.130 56.308 963 HD2 LYS 124 HD2 LYS 124 14.745 62.338 53.959 964 HD3 LYS 124 HD3 LYS 124 15.585 63.834 53.548 965 HE2 LYS 124 HE2 LYS 124 17.259 62.174 53.838 966 HE3 LYS 124 HE3 LYS 124 17.368 63.277 55.199 967 HZ1 LYS 124 HZ1 LYS 124 17.513 60.956 55.896 968 HZ2 LYS 124 HZ2 LYS 124 16.182 61.628 56.548 969 HZ3 LYS 124 HZ3 LYS 124 16.052 60.616 55.267 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -23.879 13.484 -0.639 2 H2 LYS 1 H2 LYS 1 -22.724 13.728 -1.769 3 H3 LYS 1 H3 LYS 1 -23.334 15.003 -0.949 4 HA LYS 1 HA LYS 1 -21.145 14.459 -0.112 5 HB2 LYS 1 HB2 LYS 1 -23.311 13.704 1.894 6 HB3 LYS 1 HB3 LYS 1 -21.647 14.142 2.272 7 HG2 LYS 1 HG2 LYS 1 -22.061 16.405 1.229 8 HG3 LYS 1 HG3 LYS 1 -23.772 15.985 1.105 9 HD2 LYS 1 HD2 LYS 1 -22.109 16.155 3.653 10 HD3 LYS 1 HD3 LYS 1 -23.289 17.338 3.121 11 HE2 LYS 1 HE2 LYS 1 -23.920 14.452 3.888 12 HE3 LYS 1 HE3 LYS 1 -24.077 15.836 4.949 13 HZ1 LYS 1 HZ1 LYS 1 -25.614 15.490 2.434 14 HZ2 LYS 1 HZ2 LYS 1 -26.194 15.284 3.941 15 HZ3 LYS 1 HZ3 LYS 1 -25.735 16.765 3.452 16 H GLU 2 H GLU 2 -19.649 12.984 0.563 17 HA GLU 2 HA GLU 2 -20.342 10.092 0.541 18 HB2 GLU 2 HB2 GLU 2 -18.096 9.653 -0.128 19 HB3 GLU 2 HB3 GLU 2 -18.837 10.767 -1.256 20 HG2 GLU 2 HG2 GLU 2 -16.959 11.678 0.970 21 HG3 GLU 2 HG3 GLU 2 -16.401 11.159 -0.604 22 H ALA 3 H ALA 3 -19.774 12.490 2.800 23 HA ALA 3 HA ALA 3 -19.035 10.459 4.824 24 HB1 ALA 3 HB1 ALA 3 -16.911 11.505 4.127 25 HB2 ALA 3 HB2 ALA 3 -17.574 13.109 4.500 26 HB3 ALA 3 HB3 ALA 3 -17.325 11.924 5.799 27 H ALA 4 H ALA 4 -20.410 10.503 6.424 28 HA ALA 4 HA ALA 4 -21.705 12.972 7.397 29 HB1 ALA 4 HB1 ALA 4 -21.874 10.099 8.407 30 HB2 ALA 4 HB2 ALA 4 -22.800 11.486 9.001 31 HB3 ALA 4 HB3 ALA 4 -23.026 10.912 7.339 32 HA PRO 5 HA PRO 5 -18.852 12.097 11.120 33 HB2 PRO 5 HB2 PRO 5 -16.737 10.362 11.001 34 HB3 PRO 5 HB3 PRO 5 -18.415 9.848 11.349 35 HG2 PRO 5 HG2 PRO 5 -17.018 9.859 8.642 36 HG3 PRO 5 HG3 PRO 5 -17.869 8.487 9.443 37 HD2 PRO 5 HD2 PRO 5 -19.060 9.993 7.613 38 HD3 PRO 5 HD3 PRO 5 -19.955 9.505 9.091 39 H LYS 6 H LYS 6 -17.207 12.190 8.021 40 HA LYS 6 HA LYS 6 -15.460 13.281 7.116 41 HB2 LYS 6 HB2 LYS 6 -16.820 15.200 8.147 42 HB3 LYS 6 HB3 LYS 6 -15.540 15.333 9.335 43 HG2 LYS 6 HG2 LYS 6 -15.291 15.641 6.315 44 HG3 LYS 6 HG3 LYS 6 -15.347 16.933 7.513 45 HD2 LYS 6 HD2 LYS 6 -13.193 15.935 8.497 46 HD3 LYS 6 HD3 LYS 6 -13.068 14.990 7.005 47 HE2 LYS 6 HE2 LYS 6 -13.228 18.022 7.233 48 HE3 LYS 6 HE3 LYS 6 -11.772 17.103 6.902 49 HZ1 LYS 6 HZ1 LYS 6 -12.733 17.993 4.867 50 HZ2 LYS 6 HZ2 LYS 6 -12.786 16.365 4.807 51 HZ3 LYS 6 HZ3 LYS 6 -14.141 17.228 5.117 52 H CYS 7 H CYS 7 -14.739 13.515 10.601 53 HA CYS 7 HA CYS 7 -12.336 11.855 10.428 54 HB2 CYS 7 HB2 CYS 7 -11.705 14.192 9.612 55 HB3 CYS 7 HB3 CYS 7 -12.070 14.763 11.260 56 HG CYS 7 HG CYS 7 -10.036 12.341 10.363 57 H ASN 8 H ASN 8 -11.231 11.863 12.715 58 HA ASN 8 HA ASN 8 -13.298 11.465 14.737 59 HB2 ASN 8 HB2 ASN 8 -11.636 10.509 16.083 60 HB3 ASN 8 HB3 ASN 8 -11.254 9.961 14.454 61 HD21 ASN 8 HD22 ASN 8 -9.462 9.987 16.730 62 HD22 ASN 8 HD21 ASN 8 -8.139 11.047 16.250 63 H ASN 9 H ASN 9 -10.748 13.867 14.215 64 HA ASN 9 HA ASN 9 -12.003 15.758 16.120 65 HB2 ASN 9 HB2 ASN 9 -10.547 14.218 17.444 66 HB3 ASN 9 HB3 ASN 9 -9.172 14.651 16.438 67 HD21 ASN 9 HD22 ASN 9 -8.296 15.159 18.667 68 HD22 ASN 9 HD21 ASN 9 -8.623 16.772 19.292 69 H CYS 10 H CYS 10 -8.940 15.340 14.184 70 HA CYS 10 HA CYS 10 -8.654 18.200 14.016 71 HB2 CYS 10 HB2 CYS 10 -6.568 17.701 12.873 72 HB3 CYS 10 HB3 CYS 10 -6.757 16.695 14.310 73 HG CYS 10 HG CYS 10 -5.651 15.312 12.402 74 H SER 11 H SER 11 -10.404 16.141 12.030 75 HA SER 11 HA SER 11 -11.578 16.468 10.096 76 HB2 SER 11 HB2 SER 11 -12.515 17.763 12.111 77 HB3 SER 11 HB3 SER 11 -12.052 19.216 11.207 78 HG SER 11 HG SER 11 -14.118 18.455 10.601 79 H GLN 12 H GLN 12 -9.208 16.646 9.046 80 HA GLN 12 HA GLN 12 -9.537 18.731 6.941 81 HB2 GLN 12 HB2 GLN 12 -7.226 19.436 7.157 82 HB3 GLN 12 HB3 GLN 12 -8.107 19.660 8.659 83 HG2 GLN 12 HG2 GLN 12 -7.085 17.450 9.479 84 HG3 GLN 12 HG3 GLN 12 -6.071 17.482 8.035 85 HE21 GLN 12 HE22 GLN 12 -6.962 19.428 10.928 86 HE22 GLN 12 HE21 GLN 12 -5.392 20.215 11.076 87 H ARG 13 H ARG 13 -9.435 15.550 7.295 88 HA ARG 13 HA ARG 13 -8.397 15.022 4.598 89 HB2 ARG 13 HB2 ARG 13 -6.427 14.884 6.111 90 HB3 ARG 13 HB3 ARG 13 -7.250 13.681 7.087 91 HG2 ARG 13 HG2 ARG 13 -7.200 12.100 5.146 92 HG3 ARG 13 HG3 ARG 13 -6.462 13.373 4.147 93 HD2 ARG 13 HD2 ARG 13 -4.528 13.431 5.755 94 HD3 ARG 13 HD3 ARG 13 -5.273 12.116 6.652 95 HE ARG 13 HE ARG 13 -4.735 10.586 4.959 96 HH11 ARG 13 HH11 ARG 13 -3.747 13.793 3.903 97 HH12 ARG 13 HH12 ARG 13 -2.739 13.151 2.624 98 HH21 ARG 13 HH21 ARG 13 -3.440 9.848 3.319 99 HH22 ARG 13 HH22 ARG 13 -2.572 10.974 2.308 100 H GLY 14 H GLY 14 -9.056 12.912 3.815 101 HA2 GLY 14 HA2 GLY 14 -11.773 12.371 4.355 102 HA3 GLY 14 HA3 GLY 14 -10.702 11.391 3.353 103 H HIS 15 H HIS 15 -9.120 11.104 6.181 104 HA HIS 15 HA HIS 15 -10.397 8.599 6.838 105 HB2 HIS 15 HB2 HIS 15 -8.679 8.343 8.534 106 HB3 HIS 15 HB3 HIS 15 -8.061 8.643 6.923 107 HD1 HIS 15 HD1 HIS 15 -5.875 9.100 8.725 108 HD2 HIS 15 HD2 HIS 15 -8.876 12.010 8.325 109 HE1 HIS 15 HE1 HIS 15 -4.895 11.271 9.605 110 H LEU 16 H LEU 16 -12.413 8.913 7.438 111 HA LEU 16 HA LEU 16 -13.522 10.421 9.533 112 HB2 LEU 16 HB2 LEU 16 -15.308 8.765 9.498 113 HB3 LEU 16 HB3 LEU 16 -14.832 9.351 7.910 114 HG LEU 16 HG LEU 16 -13.518 7.140 7.642 115 HD11 LEU 16 HD11 LEU 16 -14.465 5.246 8.970 116 HD12 LEU 16 HD12 LEU 16 -13.519 6.343 9.983 117 HD13 LEU 16 HD13 LEU 16 -15.306 6.407 10.010 118 HD21 LEU 16 HD21 LEU 16 -16.556 7.054 7.921 119 HD22 LEU 16 HD22 LEU 16 -15.657 7.657 6.512 120 HD23 LEU 16 HD23 LEU 16 -15.550 5.951 6.958 121 H LYS 17 H LYS 17 -14.606 9.257 11.482 122 HA LYS 17 HA LYS 17 -13.033 9.322 13.586 123 HB2 LYS 17 HB2 LYS 17 -15.620 8.728 13.246 124 HB3 LYS 17 HB3 LYS 17 -15.114 7.128 13.718 125 HG2 LYS 17 HG2 LYS 17 -14.641 9.706 15.270 126 HG3 LYS 17 HG3 LYS 17 -15.938 8.565 15.576 127 HD2 LYS 17 HD2 LYS 17 -12.962 7.994 15.967 128 HD3 LYS 17 HD3 LYS 17 -14.138 8.392 17.215 129 HE2 LYS 17 HE2 LYS 17 -15.469 6.349 16.514 130 HE3 LYS 17 HE3 LYS 17 -14.119 5.888 15.485 131 HZ1 LYS 17 HZ1 LYS 17 -12.714 5.859 17.499 132 HZ2 LYS 17 HZ2 LYS 17 -13.999 6.251 18.428 133 HZ3 LYS 17 HZ3 LYS 17 -13.966 4.824 17.652 134 H LYS 18 H LYS 18 -13.819 6.068 12.397 135 HA LYS 18 HA LYS 18 -11.594 4.810 13.813 136 HB2 LYS 18 HB2 LYS 18 -12.574 2.716 12.960 137 HB3 LYS 18 HB3 LYS 18 -13.718 3.734 13.826 138 HG2 LYS 18 HG2 LYS 18 -14.683 4.517 11.676 139 HG3 LYS 18 HG3 LYS 18 -13.536 3.497 10.789 140 HD2 LYS 18 HD2 LYS 18 -14.522 1.484 11.864 141 HD3 LYS 18 HD3 LYS 18 -15.623 2.523 12.791 142 HE2 LYS 18 HE2 LYS 18 -16.541 3.401 10.632 143 HE3 LYS 18 HE3 LYS 18 -15.520 2.269 9.759 144 HZ1 LYS 18 HZ1 LYS 18 -17.762 1.394 10.077 145 HZ2 LYS 18 HZ2 LYS 18 -16.703 0.450 10.887 146 HZ3 LYS 18 HZ3 LYS 18 -17.643 1.515 11.692 147 H ASP 19 H ASP 19 -11.728 6.219 10.744 148 HA ASP 19 HA ASP 19 -9.609 4.528 9.565 149 HB2 ASP 19 HB2 ASP 19 -11.570 5.625 8.303 150 HB3 ASP 19 HB3 ASP 19 -10.740 7.149 8.555 151 H CYS 20 H CYS 20 -9.946 7.498 11.449 152 HA CYS 20 HA CYS 20 -7.517 8.738 10.812 153 HB2 CYS 20 HB2 CYS 20 -9.416 9.775 12.047 154 HB3 CYS 20 HB3 CYS 20 -8.907 8.911 13.508 155 HG CYS 20 HG CYS 20 -8.011 11.390 13.559 156 HA PRO 21 HA PRO 21 -5.080 6.181 14.026 157 HB2 PRO 21 HB2 PRO 21 -6.183 4.219 15.526 158 HB3 PRO 21 HB3 PRO 21 -6.346 5.941 15.975 159 HG2 PRO 21 HG2 PRO 21 -8.336 4.236 14.431 160 HG3 PRO 21 HG3 PRO 21 -8.640 5.232 15.896 161 HD2 PRO 21 HD2 PRO 21 -9.127 6.152 13.382 162 HD3 PRO 21 HD3 PRO 21 -8.519 7.222 14.682 163 H HIS 22 H HIS 22 -4.373 3.728 14.140 164 HA HIS 22 HA HIS 22 -4.374 2.641 11.472 165 HB2 HIS 22 HB2 HIS 22 -2.823 0.970 12.501 166 HB3 HIS 22 HB3 HIS 22 -2.378 2.650 12.721 167 HD1 HIS 22 HD1 HIS 22 -1.671 3.242 15.116 168 HD2 HIS 22 HD2 HIS 22 -4.282 -0.041 14.891 169 HE1 HIS 22 HE1 HIS 22 -1.963 2.402 17.489 170 H ILE 23 H ILE 23 -7.023 2.585 12.404 171 HA ILE 23 HA ILE 23 -7.704 -0.275 12.915 172 HB ILE 23 HB ILE 23 -9.098 2.287 13.770 173 HG12 ILE 23 HG12 ILE 23 -7.678 0.063 15.306 174 HG13 ILE 23 HG13 ILE 23 -7.099 1.710 15.089 175 HG21 ILE 23 HG21 ILE 23 -10.032 -0.578 14.210 176 HG22 ILE 23 HG22 ILE 23 -10.737 0.865 14.967 177 HG23 ILE 23 HG23 ILE 23 -10.857 0.679 13.241 178 HD11 ILE 23 HD11 ILE 23 -9.101 2.528 16.391 179 HD12 ILE 23 HD12 ILE 23 -9.430 0.822 16.801 180 HD13 ILE 23 HD13 ILE 23 -7.910 1.570 17.296 181 H ILE 24 H ILE 24 -9.763 -0.991 11.976 182 HA ILE 24 HA ILE 24 -9.831 -0.709 9.165 183 HB ILE 24 HB ILE 24 -12.025 -1.901 9.324 184 HG12 ILE 24 HG12 ILE 24 -11.495 -1.947 12.338 185 HG13 ILE 24 HG13 ILE 24 -12.789 -1.036 11.560 186 HG21 ILE 24 HG21 ILE 24 -10.975 -3.988 10.013 187 HG22 ILE 24 HG22 ILE 24 -9.804 -3.001 9.151 188 HG23 ILE 24 HG23 ILE 24 -9.722 -3.099 10.923 189 HD11 ILE 24 HD11 ILE 24 -13.717 -3.049 12.460 190 HD12 ILE 24 HD12 ILE 24 -13.732 -3.198 10.693 191 HD13 ILE 24 HD13 ILE 24 -12.512 -4.063 11.663 192 H CYS 25 H CYS 25 -10.722 0.671 7.767 193 HA CYS 25 HA CYS 25 -12.123 3.030 8.748 194 HB2 CYS 25 HB2 CYS 25 -11.901 3.834 6.509 195 HB3 CYS 25 HB3 CYS 25 -10.387 3.014 6.918 196 HG CYS 25 HG CYS 25 -11.080 2.598 4.402 197 H SER 26 H SER 26 -13.095 -0.003 7.468 198 HA SER 26 HA SER 26 -15.966 0.579 7.602 199 HB2 SER 26 HB2 SER 26 -15.184 1.331 5.310 200 HB3 SER 26 HB3 SER 26 -14.732 -0.351 4.983 201 HG SER 26 HG SER 26 -16.922 0.221 4.411 202 H TYR 27 H TYR 27 -16.765 -1.751 6.224 203 HA TYR 27 HA TYR 27 -15.982 -3.903 8.026 204 HB2 TYR 27 HB2 TYR 27 -18.343 -3.231 6.932 205 HB3 TYR 27 HB3 TYR 27 -17.870 -4.426 5.757 206 HD1 TYR 27 HD1 TYR 27 -16.526 -6.527 7.416 207 HD2 TYR 27 HD2 TYR 27 -19.982 -4.085 8.282 208 HE1 TYR 27 HE1 TYR 27 -17.330 -8.227 9.038 209 HE2 TYR 27 HE2 TYR 27 -20.786 -5.800 9.883 210 HH TYR 27 HH TYR 27 -19.035 -8.770 10.548 211 H CYS 28 H CYS 28 -13.742 -3.260 6.830 212 HA CYS 28 HA CYS 28 -12.985 -5.645 5.322 213 HB2 CYS 28 HB2 CYS 28 -11.900 -4.430 3.520 214 HB3 CYS 28 HB3 CYS 28 -13.611 -3.998 3.572 215 HG CYS 28 HG CYS 28 -12.397 -1.846 2.986 216 H GLY 29 H GLY 29 -10.732 -6.102 5.452 217 HA2 GLY 29 HA2 GLY 29 -8.731 -6.293 6.558 218 HA3 GLY 29 HA3 GLY 29 -8.884 -4.655 7.179 219 H ALA 30 H ALA 30 -7.849 -6.136 8.965 220 HA ALA 30 HA ALA 30 -9.955 -7.051 10.866 221 HB1 ALA 30 HB1 ALA 30 -8.211 -8.732 10.253 222 HB2 ALA 30 HB2 ALA 30 -6.963 -7.624 10.860 223 HB3 ALA 30 HB3 ALA 30 -8.169 -8.287 11.974 224 H THR 31 H THR 31 -10.021 -6.124 12.923 225 HA THR 31 HA THR 31 -9.125 -3.416 13.161 226 HB THR 31 HB THR 31 -11.205 -4.430 14.075 227 HG1 THR 31 HG1 THR 31 -9.638 -2.953 15.826 228 HG21 THR 31 HG21 THR 31 -9.393 -5.426 16.318 229 HG22 THR 31 HG22 THR 31 -11.166 -5.354 16.359 230 HG23 THR 31 HG23 THR 31 -10.355 -6.415 15.200 231 H ASP 32 H ASP 32 -7.278 -6.180 13.609 232 HA ASP 32 HA ASP 32 -5.209 -4.668 15.162 233 HB2 ASP 32 HB2 ASP 32 -6.088 -6.754 16.201 234 HB3 ASP 32 HB3 ASP 32 -5.533 -7.661 14.803 235 H ASP 33 H ASP 33 -5.954 -5.664 11.987 236 HA ASP 33 HA ASP 33 -3.361 -4.904 10.981 237 HB2 ASP 33 HB2 ASP 33 -2.866 -7.269 11.527 238 HB3 ASP 33 HB3 ASP 33 -4.229 -7.788 10.544 239 H HIS 34 H HIS 34 -4.194 -3.438 9.617 240 HA HIS 34 HA HIS 34 -6.416 -4.227 7.757 241 HB2 HIS 34 HB2 HIS 34 -7.425 -3.064 9.484 242 HB3 HIS 34 HB3 HIS 34 -6.087 -1.946 9.682 243 HD1 HIS 34 HD1 HIS 34 -6.586 0.389 8.807 244 HD2 HIS 34 HD2 HIS 34 -8.772 -2.631 6.867 245 HE1 HIS 34 HE1 HIS 34 -8.149 1.562 7.191 246 H TYR 35 H TYR 35 -3.311 -2.526 7.913 247 HA TYR 35 HA TYR 35 -3.578 -1.128 5.414 248 HB2 TYR 35 HB2 TYR 35 -1.093 -2.358 6.666 249 HB3 TYR 35 HB3 TYR 35 -1.117 -1.166 5.381 250 HD1 TYR 35 HD1 TYR 35 -2.213 1.137 5.879 251 HD2 TYR 35 HD2 TYR 35 -1.007 -1.675 8.921 252 HE1 TYR 35 HE1 TYR 35 -2.134 2.978 7.548 253 HE2 TYR 35 HE2 TYR 35 -0.940 0.170 10.592 254 HH TYR 35 HH TYR 35 -1.661 3.511 9.769 255 H SER 36 H SER 36 -2.588 -4.444 6.206 256 HA SER 36 HA SER 36 -1.930 -6.243 4.967 257 HB2 SER 36 HB2 SER 36 -4.318 -6.145 4.416 258 HB3 SER 36 HB3 SER 36 -3.966 -5.177 2.979 259 HG SER 36 HG SER 36 -4.079 -7.537 2.719 260 H ARG 37 H ARG 37 -1.675 -6.497 2.113 261 HA ARG 37 HA ARG 37 0.343 -4.480 1.214 262 HB2 ARG 37 HB2 ARG 37 -0.861 -6.832 -0.306 263 HB3 ARG 37 HB3 ARG 37 0.438 -5.785 -0.845 264 HG2 ARG 37 HG2 ARG 37 0.549 -7.843 1.398 265 HG3 ARG 37 HG3 ARG 37 1.335 -7.901 -0.170 266 HD2 ARG 37 HD2 ARG 37 3.090 -7.305 1.226 267 HD3 ARG 37 HD3 ARG 37 2.601 -5.768 0.540 268 HE ARG 37 HE ARG 37 1.730 -5.080 2.631 269 HH11 ARG 37 HH11 ARG 37 2.898 -8.381 2.962 270 HH12 ARG 37 HH12 ARG 37 2.725 -8.344 4.704 271 HH21 ARG 37 HH21 ARG 37 1.478 -5.131 4.783 272 HH22 ARG 37 HH22 ARG 37 1.975 -6.520 5.723 273 H HIS 38 H HIS 38 -3.007 -5.544 0.722 274 HA HIS 38 HA HIS 38 -3.675 -2.855 -0.379 275 HB2 HIS 38 HB2 HIS 38 -4.650 -5.499 -1.520 276 HB3 HIS 38 HB3 HIS 38 -5.181 -3.898 -2.012 277 HD1 HIS 38 HD1 HIS 38 -1.899 -2.923 -2.146 278 HD2 HIS 38 HD2 HIS 38 -3.959 -6.032 -4.050 279 HE1 HIS 38 HE1 HIS 38 -0.624 -3.403 -4.281 280 H CYS 39 H CYS 39 -4.381 -2.494 1.823 281 HA CYS 39 HA CYS 39 -6.139 -2.431 3.407 282 HB2 CYS 39 HB2 CYS 39 -5.700 -0.427 2.203 283 HB3 CYS 39 HB3 CYS 39 -6.759 -0.878 0.881 284 HG CYS 39 HG CYS 39 -7.941 0.939 2.324 285 HA PRO 40 HA PRO 40 -10.348 -4.050 1.990 286 HB2 PRO 40 HB2 PRO 40 -11.076 -4.453 -0.599 287 HB3 PRO 40 HB3 PRO 40 -11.028 -2.829 0.142 288 HG2 PRO 40 HG2 PRO 40 -8.814 -4.149 -1.482 289 HG3 PRO 40 HG3 PRO 40 -9.595 -2.560 -1.782 290 HD2 PRO 40 HD2 PRO 40 -7.311 -2.689 -0.385 291 HD3 PRO 40 HD3 PRO 40 -8.642 -1.620 0.152 292 H LYS 41 H LYS 41 -8.884 -5.679 2.984 293 HA LYS 41 HA LYS 41 -9.050 -8.322 1.618 294 HB2 LYS 41 HB2 LYS 41 -6.665 -6.974 1.941 295 HB3 LYS 41 HB3 LYS 41 -6.751 -7.796 3.481 296 HG2 LYS 41 HG2 LYS 41 -5.518 -9.220 2.064 297 HG3 LYS 41 HG3 LYS 41 -7.114 -9.974 2.124 298 HD2 LYS 41 HD2 LYS 41 -7.686 -8.872 -0.056 299 HD3 LYS 41 HD3 LYS 41 -6.076 -8.161 -0.115 300 HE2 LYS 41 HE2 LYS 41 -6.672 -11.148 -0.029 301 HE3 LYS 41 HE3 LYS 41 -6.392 -10.234 -1.501 302 HZ1 LYS 41 HZ1 LYS 41 -4.373 -11.323 -0.773 303 HZ2 LYS 41 HZ2 LYS 41 -4.159 -9.712 -0.701 304 HZ3 LYS 41 HZ3 LYS 41 -4.398 -10.575 0.671 305 H ALA 42 H ALA 42 -8.289 -9.964 3.555 306 HA ALA 42 HA ALA 42 -8.925 -11.178 5.304 307 HB1 ALA 42 HB1 ALA 42 -7.895 -9.342 6.564 308 HB2 ALA 42 HB2 ALA 42 -9.482 -8.548 6.709 309 HB3 ALA 42 HB3 ALA 42 -9.206 -10.122 7.463 310 H ILE 43 H ILE 43 -11.466 -8.754 4.666 311 HA ILE 43 HA ILE 43 -13.544 -10.821 5.200 312 HB ILE 43 HB ILE 43 -13.853 -7.928 6.053 313 HG12 ILE 43 HG12 ILE 43 -12.882 -10.297 7.702 314 HG13 ILE 43 HG13 ILE 43 -12.023 -8.789 7.389 315 HG21 ILE 43 HG21 ILE 43 -15.339 -10.484 6.819 316 HG22 ILE 43 HG22 ILE 43 -15.791 -8.822 7.253 317 HG23 ILE 43 HG23 ILE 43 -15.893 -9.352 5.573 318 HD11 ILE 43 HD11 ILE 43 -12.813 -8.709 9.619 319 HD12 ILE 43 HD12 ILE 43 -13.783 -7.557 8.680 320 HD13 ILE 43 HD13 ILE 43 -14.462 -9.142 9.151 321 H GLN 44 H GLN 44 -13.943 -11.269 3.142 322 HA GLN 44 HA GLN 44 -15.296 -9.232 1.490 323 HB2 GLN 44 HB2 GLN 44 -14.094 -9.942 -0.524 324 HB3 GLN 44 HB3 GLN 44 -12.999 -9.230 0.659 325 HG2 GLN 44 HG2 GLN 44 -12.123 -11.405 1.279 326 HG3 GLN 44 HG3 GLN 44 -13.360 -12.246 0.339 327 HE21 GLN 44 HE22 GLN 44 -13.325 -11.909 -2.077 328 HE22 GLN 44 HE21 GLN 44 -11.751 -11.664 -2.829 329 H CYS 45 H CYS 45 -16.452 -10.278 -0.418 330 HA CYS 45 HA CYS 45 -17.915 -12.649 0.412 331 HB2 CYS 45 HB2 CYS 45 -17.894 -11.052 -2.175 332 HB3 CYS 45 HB3 CYS 45 -18.981 -12.416 -1.839 333 HG CYS 45 HG CYS 45 -18.640 -9.549 -0.314 334 H SER 46 H SER 46 -18.066 -14.590 -0.822 335 HA SER 46 HA SER 46 -15.595 -15.867 -1.258 336 HB2 SER 46 HB2 SER 46 -18.364 -16.770 -2.111 337 HB3 SER 46 HB3 SER 46 -16.957 -17.799 -1.777 338 HG SER 46 HG SER 46 -18.298 -17.588 0.053 339 H LYS 47 H LYS 47 -17.614 -14.191 -3.524 340 HA LYS 47 HA LYS 47 -15.900 -15.054 -5.809 341 HB2 LYS 47 HB2 LYS 47 -17.838 -15.357 -7.211 342 HB3 LYS 47 HB3 LYS 47 -17.941 -16.376 -5.783 343 HG2 LYS 47 HG2 LYS 47 -19.535 -14.726 -4.745 344 HG3 LYS 47 HG3 LYS 47 -19.421 -13.739 -6.204 345 HD2 LYS 47 HD2 LYS 47 -21.446 -15.009 -6.326 346 HD3 LYS 47 HD3 LYS 47 -20.330 -15.660 -7.535 347 HE2 LYS 47 HE2 LYS 47 -19.739 -17.504 -5.952 348 HE3 LYS 47 HE3 LYS 47 -20.859 -16.834 -4.770 349 HZ1 LYS 47 HZ1 LYS 47 -21.620 -17.867 -7.446 350 HZ2 LYS 47 HZ2 LYS 47 -21.878 -18.629 -6.030 351 HZ3 LYS 47 HZ3 LYS 47 -22.665 -17.239 -6.354 352 H CYS 48 H CYS 48 -16.595 -12.393 -4.103 353 HA CYS 48 HA CYS 48 -15.722 -10.665 -6.245 354 HB2 CYS 48 HB2 CYS 48 -17.581 -8.999 -6.002 355 HB3 CYS 48 HB3 CYS 48 -18.015 -10.493 -6.825 356 HG CYS 48 HG CYS 48 -19.191 -11.647 -4.857 357 H ASP 49 H ASP 49 -15.404 -8.368 -5.453 358 HA ASP 49 HA ASP 49 -13.686 -8.601 -3.158 359 HB2 ASP 49 HB2 ASP 49 -12.956 -6.356 -3.789 360 HB3 ASP 49 HB3 ASP 49 -12.899 -7.494 -5.120 361 H GLU 50 H GLU 50 -13.795 -7.774 -1.214 362 HA GLU 50 HA GLU 50 -14.629 -7.132 0.764 363 HB2 GLU 50 HB2 GLU 50 -16.125 -4.959 -0.723 364 HB3 GLU 50 HB3 GLU 50 -15.817 -5.042 1.008 365 HG2 GLU 50 HG2 GLU 50 -13.390 -4.933 0.619 366 HG3 GLU 50 HG3 GLU 50 -13.655 -4.831 -1.116 367 H VAL 51 H VAL 51 -16.351 -7.305 2.293 368 HA VAL 51 HA VAL 51 -19.037 -8.146 1.271 369 HB VAL 51 HB VAL 51 -19.712 -8.450 3.548 370 HG11 VAL 51 HG11 VAL 51 -18.525 -10.322 2.404 371 HG12 VAL 51 HG12 VAL 51 -17.017 -9.816 3.217 372 HG13 VAL 51 HG13 VAL 51 -18.409 -10.368 4.166 373 HG21 VAL 51 HG21 VAL 51 -18.445 -6.718 4.731 374 HG22 VAL 51 HG22 VAL 51 -18.153 -8.293 5.454 375 HG23 VAL 51 HG23 VAL 51 -16.919 -7.572 4.400 376 H GLY 52 H GLY 52 -17.196 -5.458 2.375 377 HA2 GLY 52 HA2 GLY 52 -19.072 -3.736 3.504 378 HA3 GLY 52 HA3 GLY 52 -17.565 -3.275 2.721 379 H HIS 53 H HIS 53 -18.694 -4.447 0.059 380 HA HIS 53 HA HIS 53 -19.453 -1.811 -0.813 381 HB2 HIS 53 HB2 HIS 53 -19.024 -2.518 -2.964 382 HB3 HIS 53 HB3 HIS 53 -17.887 -3.430 -1.989 383 HD1 HIS 53 HD1 HIS 53 -20.627 -3.889 -4.493 384 HD2 HIS 53 HD2 HIS 53 -18.629 -6.147 -1.570 385 HE1 HIS 53 HE1 HIS 53 -21.133 -6.327 -5.003 386 H TYR 54 H TYR 54 -21.473 -4.436 0.130 387 HA TYR 54 HA TYR 54 -23.808 -2.843 -0.628 388 HB2 TYR 54 HB2 TYR 54 -23.333 -4.378 -2.594 389 HB3 TYR 54 HB3 TYR 54 -23.680 -5.741 -1.543 390 HD1 TYR 54 HD2 TYR 54 -25.082 -2.475 -2.750 391 HD2 TYR 54 HD1 TYR 54 -25.965 -6.471 -1.392 392 HE1 TYR 54 HE2 TYR 54 -27.493 -2.116 -3.258 393 HE2 TYR 54 HE1 TYR 54 -28.371 -6.115 -1.918 394 HH TYR 54 HH TYR 54 -29.939 -4.577 -2.742 395 H ARG 55 H ARG 55 -25.198 -2.817 0.997 396 HA ARG 55 HA ARG 55 -25.982 -3.006 3.105 397 HB2 ARG 55 HB2 ARG 55 -27.287 -4.646 1.903 398 HB3 ARG 55 HB3 ARG 55 -26.129 -5.911 2.237 399 HG2 ARG 55 HG2 ARG 55 -28.240 -6.021 3.552 400 HG3 ARG 55 HG3 ARG 55 -26.777 -6.072 4.513 401 HD2 ARG 55 HD2 ARG 55 -27.129 -3.551 4.960 402 HD3 ARG 55 HD3 ARG 55 -28.668 -3.716 4.133 403 HE ARG 55 HE ARG 55 -29.566 -4.702 6.014 404 HH11 ARG 55 HH11 ARG 55 -26.074 -4.925 6.413 405 HH12 ARG 55 HH12 ARG 55 -26.206 -5.423 8.082 406 HH21 ARG 55 HH21 ARG 55 -29.647 -5.356 8.138 407 HH22 ARG 55 HH22 ARG 55 -28.167 -5.667 9.014 408 H SER 56 H SER 56 -22.977 -3.426 2.798 409 HA SER 56 HA SER 56 -21.142 -4.207 3.735 410 HB2 SER 56 HB2 SER 56 -20.597 -3.719 5.960 411 HB3 SER 56 HB3 SER 56 -21.664 -2.445 5.357 412 HG SER 56 HG SER 56 -23.343 -3.731 6.468 413 H GLN 57 H GLN 57 -23.070 -6.246 3.065 414 HA GLN 57 HA GLN 57 -21.858 -8.517 4.502 415 HB2 GLN 57 HB2 GLN 57 -23.851 -7.867 5.845 416 HB3 GLN 57 HB3 GLN 57 -24.883 -8.146 4.442 417 HG2 GLN 57 HG2 GLN 57 -24.324 -10.526 4.446 418 HG3 GLN 57 HG3 GLN 57 -23.068 -10.272 5.663 419 HE21 GLN 57 HE22 GLN 57 -26.649 -10.162 5.159 420 HE22 GLN 57 HE21 GLN 57 -27.002 -10.411 6.866 421 H CYS 58 H CYS 58 -23.920 -7.406 1.818 422 HA CYS 58 HA CYS 58 -24.700 -8.412 -0.063 423 HB2 CYS 58 HB2 CYS 58 -22.432 -7.514 -0.482 424 HB3 CYS 58 HB3 CYS 58 -21.769 -9.133 -0.220 425 HG CYS 58 HG CYS 58 -24.014 -8.128 -2.462 426 HA PRO 59 HA PRO 59 -25.008 -12.803 1.488 427 HB2 PRO 59 HB2 PRO 59 -27.714 -12.972 1.812 428 HB3 PRO 59 HB3 PRO 59 -26.625 -12.276 3.048 429 HG2 PRO 59 HG2 PRO 59 -28.233 -10.794 0.943 430 HG3 PRO 59 HG3 PRO 59 -28.149 -10.460 2.699 431 HD2 PRO 59 HD2 PRO 59 -26.624 -9.099 0.903 432 HD3 PRO 59 HD3 PRO 59 -25.982 -9.540 2.512 433 H HIS 60 H HIS 60 -25.616 -14.635 0.306 434 HA HIS 60 HA HIS 60 -26.267 -14.271 -2.527 435 HB2 HIS 60 HB2 HIS 60 -25.876 -16.797 -0.894 436 HB3 HIS 60 HB3 HIS 60 -26.029 -16.717 -2.644 437 HD1 HIS 60 HD1 HIS 60 -23.388 -16.959 -0.179 438 HD2 HIS 60 HD2 HIS 60 -23.988 -14.896 -3.786 439 HE1 HIS 60 HE1 HIS 60 -21.083 -16.339 -1.036 440 H LYS 61 H LYS 61 -28.087 -15.099 -3.614 441 HA LYS 61 HA LYS 61 -30.544 -14.843 -2.018 442 HB2 LYS 61 HB2 LYS 61 -31.670 -14.314 -4.024 443 HB3 LYS 61 HB3 LYS 61 -30.159 -13.417 -3.996 444 HG2 LYS 61 HG2 LYS 61 -29.158 -15.056 -5.585 445 HG3 LYS 61 HG3 LYS 61 -30.679 -15.971 -5.590 446 HD2 LYS 61 HD2 LYS 61 -31.869 -13.966 -6.464 447 HD3 LYS 61 HD3 LYS 61 -30.323 -13.097 -6.533 448 HE2 LYS 61 HE2 LYS 61 -29.432 -14.801 -8.087 449 HE3 LYS 61 HE3 LYS 61 -30.939 -15.704 -7.985 450 HZ1 LYS 61 HZ1 LYS 61 -30.682 -12.960 -9.084 451 HZ2 LYS 61 HZ2 LYS 61 -30.878 -14.316 -9.966 452 HZ3 LYS 61 HZ3 LYS 61 -32.079 -13.806 -8.991 453 H TRP 62 H TRP 62 -32.406 -16.018 -2.336 454 HA TRP 62 HA TRP 62 -32.436 -18.511 -3.833 455 HB2 TRP 62 HB2 TRP 62 -31.697 -19.138 -1.472 456 HB3 TRP 62 HB3 TRP 62 -33.263 -18.580 -0.906 457 HD1 TRP 62 HD1 TRP 62 -31.852 -21.081 -3.496 458 HE1 TRP 62 HE1 TRP 62 -33.296 -23.184 -3.553 459 HE3 TRP 62 HE3 TRP 62 -35.450 -19.690 -0.131 460 HZ2 TRP 62 HZ2 TRP 62 -35.734 -24.135 -2.365 461 HZ3 TRP 62 HZ3 TRP 62 -37.340 -21.216 0.362 462 HH2 TRP 62 HH2 TRP 62 -37.497 -23.430 -0.745 463 H LYS 63 H LYS 63 -34.967 -19.384 -3.245 464 HA LYS 63 HA LYS 63 -36.762 -17.593 -4.506 465 HB2 LYS 63 HB2 LYS 63 -37.323 -19.894 -2.582 466 HB3 LYS 63 HB3 LYS 63 -38.556 -19.032 -3.504 467 HG2 LYS 63 HG2 LYS 63 -37.446 -19.677 -5.623 468 HG3 LYS 63 HG3 LYS 63 -36.240 -20.604 -4.705 469 HD2 LYS 63 HD2 LYS 63 -38.003 -22.080 -3.819 470 HD3 LYS 63 HD3 LYS 63 -39.249 -21.079 -4.568 471 HE2 LYS 63 HE2 LYS 63 -38.991 -22.994 -5.947 472 HE3 LYS 63 HE3 LYS 63 -38.339 -21.613 -6.815 473 HZ1 LYS 63 HZ1 LYS 63 -36.714 -23.627 -5.357 474 HZ2 LYS 63 HZ2 LYS 63 -36.891 -23.553 -6.973 475 HZ3 LYS 63 HZ3 LYS 63 -36.103 -22.359 -6.200 476 H LYS 64 H LYS 64 -37.613 -15.758 -3.896 477 HA LYS 64 HA LYS 64 -37.211 -14.713 -1.249 478 HB2 LYS 64 HB2 LYS 64 -36.978 -13.405 -3.299 479 HB3 LYS 64 HB3 LYS 64 -38.716 -13.509 -3.595 480 HG2 LYS 64 HG2 LYS 64 -39.214 -12.136 -1.696 481 HG3 LYS 64 HG3 LYS 64 -37.607 -12.373 -1.001 482 HD2 LYS 64 HD2 LYS 64 -37.830 -10.119 -1.905 483 HD3 LYS 64 HD3 LYS 64 -36.570 -11.029 -2.738 484 HE2 LYS 64 HE2 LYS 64 -38.156 -11.480 -4.609 485 HE3 LYS 64 HE3 LYS 64 -39.391 -10.540 -3.776 486 HZ1 LYS 64 HZ1 LYS 64 -37.909 -8.601 -3.942 487 HZ2 LYS 64 HZ2 LYS 64 -36.788 -9.484 -4.738 488 HZ3 LYS 64 HZ3 LYS 64 -38.236 -9.196 -5.422 489 H VAL 65 H VAL 65 -38.396 -14.816 0.457 490 HA VAL 65 HA VAL 65 -40.787 -16.422 0.503 491 HB VAL 65 HB VAL 65 -39.274 -14.933 2.674 492 HG11 VAL 65 HG11 VAL 65 -41.568 -15.339 3.492 493 HG12 VAL 65 HG12 VAL 65 -41.429 -17.048 3.011 494 HG13 VAL 65 HG13 VAL 65 -40.400 -16.376 4.301 495 HG21 VAL 65 HG21 VAL 65 -38.420 -17.192 3.241 496 HG22 VAL 65 HG22 VAL 65 -39.304 -17.876 1.864 497 HG23 VAL 65 HG23 VAL 65 -37.967 -16.740 1.596 498 H GLN 66 H GLN 66 -40.239 -12.970 0.901 499 HA GLN 66 HA GLN 66 -41.481 -11.153 1.176 500 HB2 GLN 66 HB2 GLN 66 -42.561 -12.043 -0.878 501 HB3 GLN 66 HB3 GLN 66 -43.864 -12.697 0.122 502 HG2 GLN 66 HG2 GLN 66 -44.443 -10.431 0.891 503 HG3 GLN 66 HG3 GLN 66 -43.060 -9.755 0.025 504 HE21 GLN 66 HE22 GLN 66 -45.220 -8.463 -0.671 505 HE22 GLN 66 HE21 GLN 66 -45.898 -9.056 -2.184 506 H CYS 67 H CYS 67 -43.138 -13.946 2.623 507 HA CYS 67 HA CYS 67 -44.528 -12.461 4.648 508 HB2 CYS 67 HB2 CYS 67 -43.797 -15.420 4.573 509 HB3 CYS 67 HB3 CYS 67 -45.106 -14.668 5.487 510 HG CYS 67 HG CYS 67 -46.417 -13.781 3.430 511 H THR 68 H THR 68 -41.289 -12.872 4.476 512 HA THR 68 HA THR 68 -39.494 -12.934 5.739 513 HB THR 68 HB THR 68 -40.252 -10.788 6.338 514 HG1 THR 68 HG1 THR 68 -38.899 -10.692 8.084 515 HG21 THR 68 HG21 THR 68 -42.331 -11.054 7.575 516 HG22 THR 68 HG22 THR 68 -41.499 -11.971 8.859 517 HG23 THR 68 HG23 THR 68 -41.140 -10.256 8.586 518 H LEU 69 H LEU 69 -42.020 -14.075 8.004 519 HA LEU 69 HA LEU 69 -40.031 -15.621 9.503 520 HB2 LEU 69 HB2 LEU 69 -41.780 -15.988 11.098 521 HB3 LEU 69 HB3 LEU 69 -41.700 -14.306 10.637 522 HG LEU 69 HG LEU 69 -43.690 -14.910 8.988 523 HD11 LEU 69 HD11 LEU 69 -43.974 -17.090 11.109 524 HD12 LEU 69 HD12 LEU 69 -45.199 -16.627 9.913 525 HD13 LEU 69 HD13 LEU 69 -43.696 -17.383 9.378 526 HD21 LEU 69 HD21 LEU 69 -45.291 -14.408 10.812 527 HD22 LEU 69 HD22 LEU 69 -44.021 -14.735 12.012 528 HD23 LEU 69 HD23 LEU 69 -43.860 -13.371 10.886 529 H CYS 70 H CYS 70 -41.955 -16.267 6.797 530 HA CYS 70 HA CYS 70 -42.305 -19.148 7.272 531 HB2 CYS 70 HB2 CYS 70 -42.832 -17.361 4.867 532 HB3 CYS 70 HB3 CYS 70 -43.191 -19.091 4.912 533 HG CYS 70 HG CYS 70 -44.225 -16.861 7.113 534 H LYS 71 H LYS 71 -41.523 -20.722 5.604 535 HA LYS 71 HA LYS 71 -38.667 -20.189 4.821 536 HB2 LYS 71 HB2 LYS 71 -40.058 -22.823 5.450 537 HB3 LYS 71 HB3 LYS 71 -38.381 -22.643 4.959 538 HG2 LYS 71 HG2 LYS 71 -39.596 -21.565 7.538 539 HG3 LYS 71 HG3 LYS 71 -38.585 -22.997 7.364 540 HD2 LYS 71 HD2 LYS 71 -36.716 -21.550 6.522 541 HD3 LYS 71 HD3 LYS 71 -37.720 -20.117 6.843 542 HE2 LYS 71 HE2 LYS 71 -37.889 -20.765 9.220 543 HE3 LYS 71 HE3 LYS 71 -36.908 -22.194 8.912 544 HZ1 LYS 71 HZ1 LYS 71 -35.560 -20.394 9.795 545 HZ2 LYS 71 HZ2 LYS 71 -35.076 -20.718 8.273 546 HZ3 LYS 71 HZ3 LYS 71 -35.985 -19.392 8.580 547 H SER 72 H SER 72 -41.746 -21.288 3.513 548 HA SER 72 HA SER 72 -40.583 -22.056 0.918 549 HB2 SER 72 HB2 SER 72 -43.012 -22.517 0.421 550 HB3 SER 72 HB3 SER 72 -42.379 -23.387 1.827 551 HG SER 72 HG SER 72 -44.339 -22.331 2.304 552 H LYS 73 H LYS 73 -41.792 -21.220 -1.056 553 HA LYS 73 HA LYS 73 -41.498 -18.397 -1.347 554 HB2 LYS 73 HB2 LYS 73 -42.061 -18.664 -3.570 555 HB3 LYS 73 HB3 LYS 73 -41.303 -20.185 -3.156 556 HG2 LYS 73 HG2 LYS 73 -44.293 -19.658 -3.470 557 HG3 LYS 73 HG3 LYS 73 -43.240 -20.471 -4.619 558 HD2 LYS 73 HD2 LYS 73 -42.827 -22.286 -2.968 559 HD3 LYS 73 HD3 LYS 73 -43.984 -21.537 -1.855 560 HE2 LYS 73 HE2 LYS 73 -44.636 -22.427 -4.692 561 HE3 LYS 73 HE3 LYS 73 -44.888 -23.423 -3.269 562 HZ1 LYS 73 HZ1 LYS 73 -46.913 -22.269 -3.865 563 HZ2 LYS 73 HZ2 LYS 73 -46.411 -21.727 -2.414 564 HZ3 LYS 73 HZ3 LYS 73 -46.204 -20.807 -3.752 565 H LYS 74 H LYS 74 -43.125 -16.895 -2.162 566 HA LYS 74 HA LYS 74 -44.895 -16.249 -0.158 567 HB2 LYS 74 HB2 LYS 74 -45.689 -14.464 -1.520 568 HB3 LYS 74 HB3 LYS 74 -43.974 -14.689 -1.830 569 HG2 LYS 74 HG2 LYS 74 -44.539 -15.907 -3.956 570 HG3 LYS 74 HG3 LYS 74 -46.256 -15.691 -3.607 571 HD2 LYS 74 HD2 LYS 74 -45.693 -14.016 -5.190 572 HD3 LYS 74 HD3 LYS 74 -45.964 -13.231 -3.645 573 HE2 LYS 74 HE2 LYS 74 -44.080 -12.174 -4.580 574 HE3 LYS 74 HE3 LYS 74 -43.458 -13.185 -3.292 575 HZ1 LYS 74 HZ1 LYS 74 -42.816 -14.826 -5.002 576 HZ2 LYS 74 HZ2 LYS 74 -43.427 -13.874 -6.183 577 HZ3 LYS 74 HZ3 LYS 74 -42.136 -13.379 -5.330 578 H HIS 75 H HIS 75 -47.015 -16.218 0.265 579 HA HIS 75 HA HIS 75 -49.007 -17.375 -1.577 580 HB2 HIS 75 HB2 HIS 75 -49.869 -18.974 -0.028 581 HB3 HIS 75 HB3 HIS 75 -48.148 -19.280 -0.179 582 HD1 HIS 75 HD1 HIS 75 -50.760 -18.411 2.388 583 HD2 HIS 75 HD2 HIS 75 -46.580 -18.431 2.003 584 HE1 HIS 75 HE1 HIS 75 -49.822 -18.245 4.750 585 H SER 76 H SER 76 -48.346 -14.677 -0.329 586 HA SER 76 HA SER 76 -49.720 -14.435 2.120 587 HB2 SER 76 HB2 SER 76 -48.935 -12.087 1.985 588 HB3 SER 76 HB3 SER 76 -47.664 -13.233 1.506 589 HG SER 76 HG SER 76 -47.894 -11.572 -0.035 590 H LYS 77 H LYS 77 -50.663 -13.175 -1.085 591 HA LYS 77 HA LYS 77 -52.354 -11.817 -1.811 592 HB2 LYS 77 HB2 LYS 77 -53.909 -13.582 0.107 593 HB3 LYS 77 HB3 LYS 77 -54.677 -12.377 -0.914 594 HG2 LYS 77 HG2 LYS 77 -54.940 -14.368 -2.044 595 HG3 LYS 77 HG3 LYS 77 -53.722 -13.470 -2.942 596 HD2 LYS 77 HD2 LYS 77 -51.948 -14.929 -2.075 597 HD3 LYS 77 HD3 LYS 77 -53.106 -15.717 -0.972 598 HE2 LYS 77 HE2 LYS 77 -54.421 -16.483 -2.929 599 HE3 LYS 77 HE3 LYS 77 -53.271 -15.716 -4.015 600 HZ1 LYS 77 HZ1 LYS 77 -51.568 -17.235 -3.224 601 HZ2 LYS 77 HZ2 LYS 77 -52.593 -17.905 -2.131 602 HZ3 LYS 77 HZ3 LYS 77 -52.851 -18.101 -3.727 603 H GLU 78 H GLU 78 -50.696 -10.651 0.066 604 HA GLU 78 HA GLU 78 -50.383 -8.972 1.537 605 HB2 GLU 78 HB2 GLU 78 -52.960 -7.844 0.407 606 HB3 GLU 78 HB3 GLU 78 -51.742 -6.958 1.330 607 HG2 GLU 78 HG2 GLU 78 -50.049 -7.478 -0.420 608 HG3 GLU 78 HG3 GLU 78 -51.297 -8.259 -1.381 609 H ARG 79 H ARG 79 -52.132 -11.272 2.473 610 HA ARG 79 HA ARG 79 -53.188 -10.081 5.012 611 HB2 ARG 79 HB2 ARG 79 -54.991 -10.767 3.562 612 HB3 ARG 79 HB3 ARG 79 -54.213 -12.295 3.198 613 HG2 ARG 79 HG2 ARG 79 -56.111 -12.620 4.671 614 HG3 ARG 79 HG3 ARG 79 -54.621 -13.139 5.442 615 HD2 ARG 79 HD2 ARG 79 -54.609 -10.860 6.664 616 HD3 ARG 79 HD3 ARG 79 -56.191 -10.584 5.960 617 HE ARG 79 HE ARG 79 -57.146 -12.071 7.453 618 HH11 ARG 79 HH11 ARG 79 -53.658 -12.545 7.722 619 HH12 ARG 79 HH12 ARG 79 -53.822 -13.577 9.116 620 HH21 ARG 79 HH21 ARG 79 -57.256 -13.386 9.234 621 HH22 ARG 79 HH22 ARG 79 -55.793 -14.016 9.950 622 H CYS 80 H CYS 80 -51.316 -12.702 3.631 623 HA CYS 80 HA CYS 80 -50.290 -14.536 4.444 624 HB2 CYS 80 HB2 CYS 80 -48.926 -12.732 5.534 625 HB3 CYS 80 HB3 CYS 80 -49.849 -13.024 7.019 626 HG CYS 80 HG CYS 80 -47.580 -14.281 7.205 627 HA PRO 81 HA PRO 81 -54.163 -15.881 6.680 628 HB2 PRO 81 HB2 PRO 81 -55.138 -17.623 4.829 629 HB3 PRO 81 HB3 PRO 81 -55.389 -15.858 4.698 630 HG2 PRO 81 HG2 PRO 81 -53.229 -17.532 3.365 631 HG3 PRO 81 HG3 PRO 81 -54.351 -16.367 2.588 632 HD2 PRO 81 HD2 PRO 81 -51.841 -15.648 3.317 633 HD3 PRO 81 HD3 PRO 81 -53.214 -14.519 3.513 634 H SER 82 H SER 82 -54.766 -18.143 7.330 635 HA SER 82 HA SER 82 -52.499 -19.901 7.872 636 HB2 SER 82 HB2 SER 82 -54.338 -21.397 8.767 637 HB3 SER 82 HB3 SER 82 -54.205 -19.799 9.513 638 HG SER 82 HG SER 82 -56.228 -19.826 9.040 639 H ILE 83 H ILE 83 -52.502 -22.153 7.276 640 HA ILE 83 HA ILE 83 -52.670 -22.612 4.479 641 HB ILE 83 HB ILE 83 -51.096 -23.711 6.031 642 HG12 ILE 83 HG12 ILE 83 -51.113 -25.976 5.127 643 HG13 ILE 83 HG13 ILE 83 -52.744 -25.766 4.508 644 HG21 ILE 83 HG21 ILE 83 -53.435 -25.426 6.957 645 HG22 ILE 83 HG22 ILE 83 -51.737 -25.599 7.425 646 HG23 ILE 83 HG23 ILE 83 -52.641 -24.169 7.927 647 HD11 ILE 83 HD11 ILE 83 -51.931 -24.031 2.930 648 HD12 ILE 83 HD12 ILE 83 -50.308 -24.128 3.656 649 HD13 ILE 83 HD13 ILE 83 -50.974 -25.511 2.771 650 H TRP 84 H TRP 84 -54.013 -24.035 3.243 651 HA TRP 84 HA TRP 84 -56.750 -23.570 3.669 652 HB2 TRP 84 HB2 TRP 84 -55.762 -23.934 1.465 653 HB3 TRP 84 HB3 TRP 84 -55.455 -25.625 1.863 654 HD1 TRP 84 HD1 TRP 84 -57.238 -27.224 1.058 655 HE1 TRP 84 HE1 TRP 84 -59.716 -27.147 0.445 656 HE3 TRP 84 HE3 TRP 84 -58.186 -22.310 2.134 657 HZ2 TRP 84 HZ2 TRP 84 -61.866 -25.237 0.482 658 HZ3 TRP 84 HZ3 TRP 84 -60.482 -21.406 1.873 659 HH2 TRP 84 HH2 TRP 84 -62.321 -22.850 1.053 660 H ARG 85 H ARG 85 -58.475 -24.742 4.227 661 HA ARG 85 HA ARG 85 -58.319 -27.257 5.736 662 HB2 ARG 85 HB2 ARG 85 -59.028 -26.107 7.855 663 HB3 ARG 85 HB3 ARG 85 -57.383 -25.752 7.346 664 HG2 ARG 85 HG2 ARG 85 -58.189 -23.565 6.372 665 HG3 ARG 85 HG3 ARG 85 -59.792 -23.904 7.044 666 HD2 ARG 85 HD2 ARG 85 -58.897 -23.824 9.313 667 HD3 ARG 85 HD3 ARG 85 -57.246 -23.827 8.703 668 HE ARG 85 HE ARG 85 -57.335 -21.587 8.221 669 HH11 ARG 85 HH11 ARG 85 -60.628 -22.549 8.972 670 HH12 ARG 85 HH12 ARG 85 -61.207 -20.894 8.909 671 HH21 ARG 85 HH21 ARG 85 -58.127 -19.561 8.105 672 HH22 ARG 85 HH22 ARG 85 -59.807 -19.229 8.452 673 H ALA 86 H ALA 86 -60.389 -27.927 6.584 674 HA ALA 86 HA ALA 86 -62.487 -27.572 4.676 675 HB1 ALA 86 HB1 ALA 86 -62.542 -28.854 7.435 676 HB2 ALA 86 HB2 ALA 86 -63.746 -29.085 6.151 677 HB3 ALA 86 HB3 ALA 86 -62.087 -29.660 5.916 678 H TYR 87 H TYR 87 -64.668 -26.839 4.995 679 HA TYR 87 HA TYR 87 -64.894 -24.244 6.174 680 HB2 TYR 87 HB2 TYR 87 -67.040 -26.143 5.176 681 HB3 TYR 87 HB3 TYR 87 -67.307 -24.463 5.607 682 HD1 TYR 87 HD2 TYR 87 -66.111 -22.625 4.311 683 HD2 TYR 87 HD1 TYR 87 -66.220 -26.732 3.000 684 HE1 TYR 87 HE2 TYR 87 -65.498 -21.905 2.013 685 HE2 TYR 87 HE1 TYR 87 -65.598 -26.007 0.700 686 HH TYR 87 HH TYR 87 -65.065 -22.648 -0.164 687 H ILE 88 H ILE 88 -65.968 -23.486 7.959 688 HA ILE 88 HA ILE 88 -66.062 -25.317 10.254 689 HB ILE 88 HB ILE 88 -66.529 -22.324 10.184 690 HG12 ILE 88 HG12 ILE 88 -64.314 -22.666 9.286 691 HG13 ILE 88 HG13 ILE 88 -64.202 -22.035 10.910 692 HG21 ILE 88 HG21 ILE 88 -65.823 -22.457 12.588 693 HG22 ILE 88 HG22 ILE 88 -67.349 -23.264 12.251 694 HG23 ILE 88 HG23 ILE 88 -65.872 -24.227 12.470 695 HD11 ILE 88 HD11 ILE 88 -63.619 -24.295 11.774 696 HD12 ILE 88 HD12 ILE 88 -63.744 -24.949 10.121 697 HD13 ILE 88 HD13 ILE 88 -62.502 -23.749 10.512 698 H LEU 89 H LEU 89 -67.842 -25.811 11.498 699 HA LEU 89 HA LEU 89 -70.433 -25.853 10.220 700 HB2 LEU 89 HB2 LEU 89 -69.629 -26.443 13.094 701 HB3 LEU 89 HB3 LEU 89 -71.190 -26.820 12.381 702 HG LEU 89 HG LEU 89 -68.523 -28.035 11.532 703 HD11 LEU 89 HD11 LEU 89 -70.884 -29.221 13.047 704 HD12 LEU 89 HD12 LEU 89 -69.419 -30.090 12.539 705 HD13 LEU 89 HD13 LEU 89 -69.305 -28.796 13.741 706 HD21 LEU 89 HD21 LEU 89 -70.051 -27.975 9.609 707 HD22 LEU 89 HD22 LEU 89 -69.929 -29.623 10.230 708 HD23 LEU 89 HD23 LEU 89 -71.365 -28.650 10.607 709 H VAL 90 H VAL 90 -72.382 -24.856 10.849 710 HA VAL 90 HA VAL 90 -72.134 -22.067 11.443 711 HB VAL 90 HB VAL 90 -73.840 -22.929 9.966 712 HG11 VAL 90 HG11 VAL 90 -75.902 -23.962 10.771 713 HG12 VAL 90 HG12 VAL 90 -74.514 -25.000 11.119 714 HG13 VAL 90 HG13 VAL 90 -75.257 -24.042 12.420 715 HG21 VAL 90 HG21 VAL 90 -75.104 -21.496 12.329 716 HG22 VAL 90 HG22 VAL 90 -74.130 -20.724 11.055 717 HG23 VAL 90 HG23 VAL 90 -75.664 -21.504 10.648 718 H ASP 91 H ASP 91 -72.461 -20.856 13.217 719 HA ASP 91 HA ASP 91 -72.187 -22.180 15.784 720 HB2 ASP 91 HB2 ASP 91 -71.713 -19.994 16.645 721 HB3 ASP 91 HB3 ASP 91 -70.797 -20.276 15.179 722 H ASP 92 H ASP 92 -73.421 -21.851 17.646 723 HA ASP 92 HA ASP 92 -76.100 -20.676 17.484 724 HB2 ASP 92 HB2 ASP 92 -76.317 -23.035 16.628 725 HB3 ASP 92 HB3 ASP 92 -75.706 -23.613 18.173 726 H ASN 93 H ASN 93 -77.137 -20.563 19.581 727 HA ASN 93 HA ASN 93 -75.180 -20.217 21.815 728 HB2 ASN 93 HB2 ASN 93 -77.651 -18.616 21.046 729 HB3 ASN 93 HB3 ASN 93 -76.747 -18.378 22.535 730 HD21 ASN 93 HD22 ASN 93 -77.161 -16.296 20.695 731 HD22 ASN 93 HD21 ASN 93 -75.587 -15.871 20.032 732 H GLU 94 H GLU 94 -75.942 -20.458 23.965 733 HA GLU 94 HA GLU 94 -78.480 -21.892 24.423 734 HB2 GLU 94 HB2 GLU 94 -77.500 -23.599 25.750 735 HB3 GLU 94 HB3 GLU 94 -76.773 -23.655 24.158 736 HG2 GLU 94 HG2 GLU 94 -75.462 -22.386 26.608 737 HG3 GLU 94 HG3 GLU 94 -75.229 -24.041 26.109 738 H LYS 95 H LYS 95 -79.050 -22.042 26.705 739 HA LYS 95 HA LYS 95 -79.691 -21.045 28.629 740 HB2 LYS 95 HB2 LYS 95 -76.718 -20.518 28.908 741 HB3 LYS 95 HB3 LYS 95 -77.898 -20.532 30.219 742 HG2 LYS 95 HG2 LYS 95 -78.416 -22.912 29.746 743 HG3 LYS 95 HG3 LYS 95 -77.191 -22.924 28.466 744 HD2 LYS 95 HD2 LYS 95 -75.443 -22.341 30.125 745 HD3 LYS 95 HD3 LYS 95 -76.667 -22.360 31.413 746 HE2 LYS 95 HE2 LYS 95 -77.164 -24.733 30.895 747 HE3 LYS 95 HE3 LYS 95 -75.957 -24.715 29.615 748 HZ1 LYS 95 HZ1 LYS 95 -75.066 -25.653 31.663 749 HZ2 LYS 95 HZ2 LYS 95 -74.259 -24.285 31.302 750 HZ3 LYS 95 HZ3 LYS 95 -75.378 -24.287 32.494 751 H ALA 96 H ALA 96 -79.729 -19.243 26.288 752 HA ALA 96 HA ALA 96 -79.271 -16.567 27.347 753 HB1 ALA 96 HB1 ALA 96 -80.688 -17.483 24.818 754 HB2 ALA 96 HB2 ALA 96 -80.147 -15.832 25.190 755 HB3 ALA 96 HB3 ALA 96 -78.954 -17.120 24.971 756 H LYS 97 H LYS 97 -80.875 -14.934 27.577 757 HA LYS 97 HA LYS 97 -83.677 -15.727 28.149 758 HB2 LYS 97 HB2 LYS 97 -82.509 -15.852 30.292 759 HB3 LYS 97 HB3 LYS 97 -81.815 -14.249 30.055 760 HG2 LYS 97 HG2 LYS 97 -84.059 -13.230 30.166 761 HG3 LYS 97 HG3 LYS 97 -84.785 -14.842 30.355 762 HD2 LYS 97 HD2 LYS 97 -83.607 -15.150 32.477 763 HD3 LYS 97 HD3 LYS 97 -82.814 -13.581 32.319 764 HE2 LYS 97 HE2 LYS 97 -85.840 -13.927 32.309 765 HE3 LYS 97 HE3 LYS 97 -84.929 -13.738 33.801 766 HZ1 LYS 97 HZ1 LYS 97 -84.286 -11.585 33.193 767 HZ2 LYS 97 HZ2 LYS 97 -84.790 -11.721 31.635 768 HZ3 LYS 97 HZ3 LYS 97 -85.854 -11.634 32.885 769 HA PRO 98 HA PRO 98 -84.217 -11.804 25.960 770 HB2 PRO 98 HB2 PRO 98 -86.898 -11.403 26.287 771 HB3 PRO 98 HB3 PRO 98 -86.221 -12.627 25.175 772 HG2 PRO 98 HG2 PRO 98 -87.226 -13.044 28.007 773 HG3 PRO 98 HG3 PRO 98 -87.623 -13.995 26.541 774 HD2 PRO 98 HD2 PRO 98 -85.714 -14.799 28.301 775 HD3 PRO 98 HD3 PRO 98 -85.515 -15.052 26.543 776 H LYS 99 H LYS 99 -84.201 -9.666 26.513 777 HA LYS 99 HA LYS 99 -84.662 -8.905 29.369 778 HB2 LYS 99 HB2 LYS 99 -82.282 -9.287 28.881 779 HB3 LYS 99 HB3 LYS 99 -82.337 -8.066 27.605 780 HG2 LYS 99 HG2 LYS 99 -82.823 -6.312 29.241 781 HG3 LYS 99 HG3 LYS 99 -83.061 -7.512 30.517 782 HD2 LYS 99 HD2 LYS 99 -80.906 -6.435 30.790 783 HD3 LYS 99 HD3 LYS 99 -80.690 -8.147 30.416 784 HE2 LYS 99 HE2 LYS 99 -80.218 -7.555 28.041 785 HE3 LYS 99 HE3 LYS 99 -80.432 -5.851 28.429 786 HZ1 LYS 99 HZ1 LYS 99 -78.536 -6.034 29.951 787 HZ2 LYS 99 HZ2 LYS 99 -78.344 -7.615 29.587 788 HZ3 LYS 99 HZ3 LYS 99 -78.092 -6.478 28.449 789 H VAL 100 H VAL 100 -86.271 -7.629 29.466 790 HA VAL 100 HA VAL 100 -86.683 -5.408 27.505 791 HB VAL 100 HB VAL 100 -89.112 -5.677 27.833 792 HG11 VAL 100 HG11 VAL 100 -89.394 -7.615 26.414 793 HG12 VAL 100 HG12 VAL 100 -87.951 -6.721 25.913 794 HG13 VAL 100 HG13 VAL 100 -87.784 -8.229 26.838 795 HG21 VAL 100 HG21 VAL 100 -89.106 -6.841 30.044 796 HG22 VAL 100 HG22 VAL 100 -90.043 -7.706 28.820 797 HG23 VAL 100 HG23 VAL 100 -88.433 -8.292 29.265 798 H LEU 101 H LEU 101 -85.274 -5.527 30.138 799 HA LEU 101 HA LEU 101 -86.872 -4.117 32.097 800 HB2 LEU 101 HB2 LEU 101 -83.879 -4.632 31.853 801 HB3 LEU 101 HB3 LEU 101 -84.639 -3.968 33.284 802 HG LEU 101 HG LEU 101 -85.257 -6.732 32.145 803 HD11 LEU 101 HD11 LEU 101 -82.937 -6.528 32.988 804 HD12 LEU 101 HD12 LEU 101 -83.563 -5.949 34.545 805 HD13 LEU 101 HD13 LEU 101 -83.930 -7.600 33.984 806 HD21 LEU 101 HD21 LEU 101 -86.022 -5.427 34.797 807 HD22 LEU 101 HD22 LEU 101 -87.138 -5.842 33.474 808 HD23 LEU 101 HD23 LEU 101 -86.305 -7.123 34.360 809 HA PRO 102 HA PRO 102 -86.057 0.149 30.974 810 HB2 PRO 102 HB2 PRO 102 -85.747 1.368 33.422 811 HB3 PRO 102 HB3 PRO 102 -87.322 0.843 32.759 812 HG2 PRO 102 HG2 PRO 102 -85.526 -0.659 34.694 813 HG3 PRO 102 HG3 PRO 102 -87.286 -0.342 34.835 814 HD2 PRO 102 HD2 PRO 102 -86.367 -2.693 33.888 815 HD3 PRO 102 HD3 PRO 102 -87.788 -1.919 33.134 816 H PHE 103 H PHE 103 -84.362 1.675 30.805 817 HA PHE 103 HA PHE 103 -81.678 0.488 31.164 818 HB2 PHE 103 HB2 PHE 103 -82.634 2.824 29.490 819 HB3 PHE 103 HB3 PHE 103 -80.974 2.263 29.582 820 HD1 PHE 103 HD1 PHE 103 -80.282 0.087 28.634 821 HD2 PHE 103 HD2 PHE 103 -84.313 1.551 28.205 822 HE1 PHE 103 HE1 PHE 103 -80.696 -1.566 26.833 823 HE2 PHE 103 HE2 PHE 103 -84.722 -0.112 26.410 824 HZ PHE 103 HZ PHE 103 -82.914 -1.670 25.723 825 H HIS 104 H HIS 104 -79.947 1.511 32.036 826 HA HIS 104 HA HIS 104 -78.715 2.626 33.506 827 HB2 HIS 104 HB2 HIS 104 -80.394 5.040 32.813 828 HB3 HIS 104 HB3 HIS 104 -78.748 5.030 33.433 829 HD1 HIS 104 HD1 HIS 104 -80.468 5.320 30.232 830 HD2 HIS 104 HD2 HIS 104 -76.945 3.536 31.656 831 HE1 HIS 104 HE1 HIS 104 -78.998 4.926 28.198 832 H THR 105 H THR 105 -81.782 1.969 34.529 833 HA THR 105 HA THR 105 -81.600 3.278 37.153 834 HB THR 105 HB THR 105 -83.624 1.779 37.621 835 HG1 THR 105 HG1 THR 105 -83.343 0.356 35.880 836 HG21 THR 105 HG21 THR 105 -83.850 3.687 35.262 837 HG22 THR 105 HG22 THR 105 -85.162 3.153 36.327 838 HG23 THR 105 HG23 THR 105 -83.863 4.182 36.980 839 H ILE 106 H ILE 106 -80.844 2.432 38.991 840 HA ILE 106 HA ILE 106 -79.883 -0.385 39.071 841 HB ILE 106 HB ILE 106 -77.795 0.265 40.020 842 HG12 ILE 106 HG12 ILE 106 -78.411 2.407 41.116 843 HG13 ILE 106 HG13 ILE 106 -76.894 2.403 40.248 844 HG21 ILE 106 HG21 ILE 106 -76.679 1.116 38.047 845 HG22 ILE 106 HG22 ILE 106 -77.920 -0.073 37.627 846 HG23 ILE 106 HG23 ILE 106 -78.224 1.653 37.357 847 HD11 ILE 106 HD11 ILE 106 -77.907 3.695 38.392 848 HD12 ILE 106 HD12 ILE 106 -79.458 3.734 39.276 849 HD13 ILE 106 HD13 ILE 106 -78.023 4.519 39.948 850 H TYR 107 H TYR 107 -82.191 1.081 40.367 851 HA TYR 107 HA TYR 107 -81.712 0.170 43.149 852 HB2 TYR 107 HB2 TYR 107 -82.999 2.285 43.881 853 HB3 TYR 107 HB3 TYR 107 -81.298 2.398 43.486 854 HD1 TYR 107 HD1 TYR 107 -84.708 3.043 42.033 855 HD2 TYR 107 HD2 TYR 107 -80.479 3.876 41.872 856 HE1 TYR 107 HE1 TYR 107 -85.124 4.851 40.378 857 HE2 TYR 107 HE2 TYR 107 -80.902 5.678 40.207 858 HH TYR 107 HH TYR 107 -84.111 6.503 39.060 859 H CYS 108 H CYS 108 -83.596 -0.166 44.411 860 HA CYS 108 HA CYS 108 -85.733 -1.364 42.710 861 HB2 CYS 108 HB2 CYS 108 -83.710 -2.732 43.607 862 HB3 CYS 108 HB3 CYS 108 -84.574 -2.713 45.152 863 HG CYS 108 HG CYS 108 -85.003 -4.943 43.954 864 H TYR 109 H TYR 109 -85.689 1.101 44.715 865 HA TYR 109 HA TYR 109 -87.322 0.539 46.918 866 HB2 TYR 109 HB2 TYR 109 -87.170 3.073 45.244 867 HB3 TYR 109 HB3 TYR 109 -87.898 2.959 46.836 868 HD1 TYR 109 HD2 TYR 109 -86.478 2.188 48.815 869 HD2 TYR 109 HD1 TYR 109 -84.817 3.523 45.064 870 HE1 TYR 109 HE2 TYR 109 -84.302 2.659 49.938 871 HE2 TYR 109 HE1 TYR 109 -82.645 3.973 46.185 872 HH TYR 109 HH TYR 109 -81.506 3.920 48.232 873 H ASN 110 H ASN 110 -88.416 1.211 43.583 874 HA ASN 110 HA ASN 110 -91.222 1.382 44.234 875 HB2 ASN 110 HB2 ASN 110 -89.748 0.854 41.622 876 HB3 ASN 110 HB3 ASN 110 -91.486 1.105 41.736 877 HD21 ASN 110 HD22 ASN 110 -89.466 2.740 40.304 878 HD22 ASN 110 HD21 ASN 110 -89.681 4.354 40.973 879 H CYS 111 H CYS 111 -89.187 -1.365 44.095 880 HA CYS 111 HA CYS 111 -91.351 -3.315 43.648 881 HB2 CYS 111 HB2 CYS 111 -88.960 -3.498 42.769 882 HB3 CYS 111 HB3 CYS 111 -88.447 -3.757 44.438 883 HG CYS 111 HG CYS 111 -90.611 -5.495 42.630 884 H GLY 112 H GLY 112 -90.363 -1.416 46.229 885 HA2 GLY 112 HA2 GLY 112 -91.590 -1.591 48.321 886 HA3 GLY 112 HA3 GLY 112 -91.317 -3.333 48.321 887 H GLY 113 H GLY 113 -88.409 -2.268 47.273 888 HA2 GLY 113 HA2 GLY 113 -87.133 -0.758 49.175 889 HA3 GLY 113 HA3 GLY 113 -87.091 -2.373 49.877 890 H LYS 114 H LYS 114 -84.924 -0.673 48.986 891 HA LYS 114 HA LYS 114 -83.716 -1.486 46.532 892 HB2 LYS 114 HB2 LYS 114 -83.233 0.595 47.624 893 HB3 LYS 114 HB3 LYS 114 -82.700 -0.210 49.095 894 HG2 LYS 114 HG2 LYS 114 -80.814 0.695 47.901 895 HG3 LYS 114 HG3 LYS 114 -80.706 -1.053 47.976 896 HD2 LYS 114 HD2 LYS 114 -81.708 -1.057 45.565 897 HD3 LYS 114 HD3 LYS 114 -81.500 0.700 45.612 898 HE2 LYS 114 HE2 LYS 114 -79.604 -0.249 44.486 899 HE3 LYS 114 HE3 LYS 114 -79.061 0.362 46.042 900 HZ1 LYS 114 HZ1 LYS 114 -78.178 -1.860 45.562 901 HZ2 LYS 114 HZ2 LYS 114 -79.125 -1.924 46.886 902 HZ3 LYS 114 HZ3 LYS 114 -79.682 -2.487 45.462 903 H GLY 115 H GLY 115 -83.924 -3.220 49.496 904 HA2 GLY 115 HA2 GLY 115 -81.338 -4.281 49.702 905 HA3 GLY 115 HA3 GLY 115 -82.768 -4.887 50.521 906 H HIS 116 H HIS 116 -83.509 -5.457 47.287 907 HA HIS 116 HA HIS 116 -81.837 -7.868 47.057 908 HB2 HIS 116 HB2 HIS 116 -83.464 -9.481 47.191 909 HB3 HIS 116 HB3 HIS 116 -83.876 -8.428 48.533 910 HD1 HIS 116 HD1 HIS 116 -85.525 -10.237 45.907 911 HD2 HIS 116 HD2 HIS 116 -85.837 -6.338 47.431 912 HE1 HIS 116 HE1 HIS 116 -87.789 -9.352 45.154 913 H PHE 117 H PHE 117 -81.782 -8.901 45.207 914 HA PHE 117 HA PHE 117 -81.509 -9.048 42.944 915 HB2 PHE 117 HB2 PHE 117 -84.474 -9.403 43.328 916 HB3 PHE 117 HB3 PHE 117 -83.482 -10.146 42.070 917 HD1 PHE 117 HD2 PHE 117 -81.097 -10.976 43.960 918 HD2 PHE 117 HD1 PHE 117 -85.385 -11.449 44.113 919 HE1 PHE 117 HE2 PHE 117 -80.837 -12.976 45.386 920 HE2 PHE 117 HE1 PHE 117 -85.106 -13.445 45.553 921 HZ PHE 117 HZ PHE 117 -82.833 -14.207 46.197 922 H GLY 118 H GLY 118 -81.760 -6.190 43.375 923 HA2 GLY 118 HA2 GLY 118 -83.497 -4.888 41.628 924 HA3 GLY 118 HA3 GLY 118 -81.933 -4.262 42.163 925 H ASP 119 H ASP 119 -80.844 -6.828 40.678 926 HA ASP 119 HA ASP 119 -80.078 -5.611 38.193 927 HB2 ASP 119 HB2 ASP 119 -78.795 -7.309 39.527 928 HB3 ASP 119 HB3 ASP 119 -80.006 -8.510 39.105 929 H ASP 120 H ASP 120 -82.741 -7.821 39.044 930 HA ASP 120 HA ASP 120 -83.697 -7.886 36.220 931 HB2 ASP 120 HB2 ASP 120 -82.003 -9.652 36.426 932 HB3 ASP 120 HB3 ASP 120 -82.825 -10.312 37.826 933 H CYS 121 H CYS 121 -84.533 -8.417 39.676 934 HA CYS 121 HA CYS 121 -86.807 -9.976 39.099 935 HB2 CYS 121 HB2 CYS 121 -87.424 -9.839 41.375 936 HB3 CYS 121 HB3 CYS 121 -85.668 -9.949 41.284 937 HG CYS 121 HG CYS 121 -85.248 -7.384 41.570 938 H LYS 122 H LYS 122 -88.878 -9.686 38.805 939 HA LYS 122 HA LYS 122 -90.202 -7.053 38.870 940 HB2 LYS 122 HB2 LYS 122 -88.931 -7.114 36.703 941 HB3 LYS 122 HB3 LYS 122 -89.742 -8.605 36.284 942 HG2 LYS 122 HG2 LYS 122 -90.715 -6.915 35.017 943 HG3 LYS 122 HG3 LYS 122 -91.932 -7.352 36.189 944 HD2 LYS 122 HD2 LYS 122 -90.063 -4.940 36.408 945 HD3 LYS 122 HD3 LYS 122 -91.632 -4.880 35.637 946 HE2 LYS 122 HE2 LYS 122 -91.116 -5.380 38.591 947 HE3 LYS 122 HE3 LYS 122 -91.717 -3.913 37.848 948 HZ1 LYS 122 HZ1 LYS 122 -93.578 -5.098 38.690 949 HZ2 LYS 122 HZ2 LYS 122 -93.665 -5.254 37.065 950 HZ3 LYS 122 HZ3 LYS 122 -93.128 -6.492 37.996 951 H GLU 123 H GLU 123 -90.413 -10.557 38.333 952 HA GLU 123 HA GLU 123 -93.289 -10.590 38.021 953 HB2 GLU 123 HB2 GLU 123 -91.256 -12.784 38.532 954 HB3 GLU 123 HB3 GLU 123 -92.989 -13.076 38.335 955 HG2 GLU 123 HG2 GLU 123 -92.920 -11.961 36.108 956 HG3 GLU 123 HG3 GLU 123 -91.182 -11.759 36.277 957 H LYS 124 H LYS 124 -94.730 -11.889 39.323 958 HA LYS 124 HA LYS 124 -95.186 -10.795 41.904 959 HB2 LYS 124 HB2 LYS 124 -96.339 -13.251 40.522 960 HB3 LYS 124 HB3 LYS 124 -96.984 -12.541 42.000 961 HG2 LYS 124 HG2 LYS 124 -97.591 -10.487 40.855 962 HG3 LYS 124 HG3 LYS 124 -96.743 -10.977 39.391 963 HD2 LYS 124 HD2 LYS 124 -99.127 -11.285 39.066 964 HD3 LYS 124 HD3 LYS 124 -98.286 -12.825 39.024 965 HE2 LYS 124 HE2 LYS 124-100.301 -13.168 40.226 966 HE3 LYS 124 HE3 LYS 124 -98.988 -13.261 41.385 967 HZ1 LYS 124 HZ1 LYS 124-100.735 -10.896 40.959 968 HZ2 LYS 124 HZ2 LYS 124-100.838 -11.926 42.214 969 HZ3 LYS 124 HZ3 LYS 124 -99.527 -10.970 42.062 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -16.011 8.386 -1.437 2 H2 LYS 1 H2 LYS 1 -15.951 9.576 -2.555 3 H3 LYS 1 H3 LYS 1 -16.530 8.100 -2.966 4 HA LYS 1 HA LYS 1 -18.330 9.681 -2.702 5 HB2 LYS 1 HB2 LYS 1 -18.463 7.145 -2.017 6 HB3 LYS 1 HB3 LYS 1 -18.491 7.748 -0.373 7 HG2 LYS 1 HG2 LYS 1 -20.738 7.353 -1.064 8 HG3 LYS 1 HG3 LYS 1 -20.548 9.104 -0.980 9 HD2 LYS 1 HD2 LYS 1 -20.247 9.139 -3.492 10 HD3 LYS 1 HD3 LYS 1 -20.398 7.385 -3.508 11 HE2 LYS 1 HE2 LYS 1 -22.466 8.396 -4.207 12 HE3 LYS 1 HE3 LYS 1 -22.716 7.525 -2.700 13 HZ1 LYS 1 HZ1 LYS 1 -22.195 10.421 -2.765 14 HZ2 LYS 1 HZ2 LYS 1 -23.716 9.844 -2.869 15 HZ3 LYS 1 HZ3 LYS 1 -22.810 9.585 -1.524 16 H GLU 2 H GLU 2 -19.531 11.103 -1.338 17 HA GLU 2 HA GLU 2 -17.998 12.918 0.175 18 HB2 GLU 2 HB2 GLU 2 -21.025 12.619 0.265 19 HB3 GLU 2 HB3 GLU 2 -20.066 14.037 0.650 20 HG2 GLU 2 HG2 GLU 2 -20.672 14.674 -1.415 21 HG3 GLU 2 HG3 GLU 2 -19.261 13.757 -1.902 22 H ALA 3 H ALA 3 -18.136 13.583 2.379 23 HA ALA 3 HA ALA 3 -18.724 11.366 4.295 24 HB1 ALA 3 HB1 ALA 3 -16.315 11.833 3.938 25 HB2 ALA 3 HB2 ALA 3 -16.577 13.507 4.469 26 HB3 ALA 3 HB3 ALA 3 -16.844 12.161 5.598 27 H ALA 4 H ALA 4 -20.182 11.710 5.804 28 HA ALA 4 HA ALA 4 -21.017 14.375 6.707 29 HB1 ALA 4 HB1 ALA 4 -21.674 11.575 7.716 30 HB2 ALA 4 HB2 ALA 4 -22.328 13.088 8.372 31 HB3 ALA 4 HB3 ALA 4 -22.672 12.621 6.698 32 HA PRO 5 HA PRO 5 -18.417 13.279 10.539 33 HB2 PRO 5 HB2 PRO 5 -16.647 11.190 10.603 34 HB3 PRO 5 HB3 PRO 5 -18.392 11.019 10.948 35 HG2 PRO 5 HG2 PRO 5 -17.000 10.529 8.277 36 HG3 PRO 5 HG3 PRO 5 -18.098 9.424 9.175 37 HD2 PRO 5 HD2 PRO 5 -19.004 10.971 7.208 38 HD3 PRO 5 HD3 PRO 5 -19.953 10.795 8.720 39 H LYS 6 H LYS 6 -16.599 12.539 7.630 40 HA LYS 6 HA LYS 6 -14.583 12.848 6.805 41 HB2 LYS 6 HB2 LYS 6 -13.974 14.997 6.241 42 HB3 LYS 6 HB3 LYS 6 -15.716 14.972 6.331 43 HG2 LYS 6 HG2 LYS 6 -15.770 16.625 7.865 44 HG3 LYS 6 HG3 LYS 6 -14.633 15.798 8.919 45 HD2 LYS 6 HD2 LYS 6 -13.450 17.696 8.498 46 HD3 LYS 6 HD3 LYS 6 -12.788 16.595 7.300 47 HE2 LYS 6 HE2 LYS 6 -13.113 18.766 6.296 48 HE3 LYS 6 HE3 LYS 6 -14.237 17.644 5.552 49 HZ1 LYS 6 HZ1 LYS 6 -14.929 19.566 7.714 50 HZ2 LYS 6 HZ2 LYS 6 -15.272 19.779 6.142 51 HZ3 LYS 6 HZ3 LYS 6 -15.990 18.574 6.966 52 H CYS 7 H CYS 7 -14.357 13.827 10.188 53 HA CYS 7 HA CYS 7 -11.919 12.257 10.416 54 HB2 CYS 7 HB2 CYS 7 -11.207 14.631 9.684 55 HB3 CYS 7 HB3 CYS 7 -11.715 15.144 11.310 56 HG CYS 7 HG CYS 7 -9.687 12.672 10.470 57 H ASN 8 H ASN 8 -11.190 12.078 12.724 58 HA ASN 8 HA ASN 8 -13.435 11.865 14.584 59 HB2 ASN 8 HB2 ASN 8 -11.944 10.721 16.007 60 HB3 ASN 8 HB3 ASN 8 -11.506 10.169 14.391 61 HD21 ASN 8 HD22 ASN 8 -9.933 10.299 16.991 62 HD22 ASN 8 HD21 ASN 8 -8.474 11.151 16.497 63 H ASN 9 H ASN 9 -10.601 13.941 14.258 64 HA ASN 9 HA ASN 9 -11.667 15.991 16.098 65 HB2 ASN 9 HB2 ASN 9 -10.577 14.267 17.548 66 HB3 ASN 9 HB3 ASN 9 -9.086 14.436 16.621 67 HD21 ASN 9 HD22 ASN 9 -11.386 16.270 18.699 68 HD22 ASN 9 HD21 ASN 9 -10.154 17.380 19.293 69 H CYS 10 H CYS 10 -9.086 14.956 13.823 70 HA CYS 10 HA CYS 10 -8.057 17.645 13.401 71 HB2 CYS 10 HB2 CYS 10 -7.821 15.387 11.401 72 HB3 CYS 10 HB3 CYS 10 -6.690 16.677 11.761 73 HG CYS 10 HG CYS 10 -6.009 15.810 14.141 74 H SER 11 H SER 11 -8.086 17.941 10.632 75 HA SER 11 HA SER 11 -10.911 17.753 9.709 76 HB2 SER 11 HB2 SER 11 -10.569 20.002 8.608 77 HB3 SER 11 HB3 SER 11 -10.710 20.043 10.372 78 HG SER 11 HG SER 11 -8.907 21.226 9.624 79 H GLN 12 H GLN 12 -11.217 17.761 7.533 80 HA GLN 12 HA GLN 12 -10.988 16.971 5.435 81 HB2 GLN 12 HB2 GLN 12 -8.303 18.390 5.527 82 HB3 GLN 12 HB3 GLN 12 -9.182 17.913 4.077 83 HG2 GLN 12 HG2 GLN 12 -11.077 19.391 4.737 84 HG3 GLN 12 HG3 GLN 12 -10.141 19.947 6.129 85 HE21 GLN 12 HE22 GLN 12 -10.180 19.889 2.522 86 HE22 GLN 12 HE21 GLN 12 -9.120 21.285 2.370 87 H ARG 13 H ARG 13 -9.209 15.981 3.805 88 HA ARG 13 HA ARG 13 -8.100 14.188 3.084 89 HB2 ARG 13 HB2 ARG 13 -6.443 15.409 4.475 90 HB3 ARG 13 HB3 ARG 13 -6.678 14.222 5.755 91 HG2 ARG 13 HG2 ARG 13 -5.676 12.480 4.427 92 HG3 ARG 13 HG3 ARG 13 -5.855 13.422 2.939 93 HD2 ARG 13 HD2 ARG 13 -3.537 13.364 3.677 94 HD3 ARG 13 HD3 ARG 13 -4.167 15.004 3.654 95 HE ARG 13 HE ARG 13 -4.501 14.762 6.166 96 HH11 ARG 13 HH12 ARG 13 -1.876 13.048 4.566 97 HH12 ARG 13 HH11 ARG 13 -0.870 13.086 5.998 98 HH21 ARG 13 HH21 ARG 13 -3.171 14.771 7.936 99 HH22 ARG 13 HH22 ARG 13 -1.598 14.025 7.852 100 H GLY 14 H GLY 14 -10.617 13.633 4.385 101 HA2 GLY 14 HA2 GLY 14 -12.002 11.840 4.163 102 HA3 GLY 14 HA3 GLY 14 -10.643 11.011 3.421 103 H HIS 15 H HIS 15 -9.247 11.241 6.235 104 HA HIS 15 HA HIS 15 -10.207 8.659 7.139 105 HB2 HIS 15 HB2 HIS 15 -8.289 8.583 8.540 106 HB3 HIS 15 HB3 HIS 15 -7.874 9.038 6.903 107 HD1 HIS 15 HD1 HIS 15 -6.587 11.360 6.611 108 HD2 HIS 15 HD2 HIS 15 -7.956 10.463 10.475 109 HE1 HIS 15 HE1 HIS 15 -5.398 12.971 8.191 110 H LEU 16 H LEU 16 -12.271 9.287 7.570 111 HA LEU 16 HA LEU 16 -13.292 10.913 9.617 112 HB2 LEU 16 HB2 LEU 16 -15.312 9.580 9.349 113 HB3 LEU 16 HB3 LEU 16 -14.588 10.082 7.830 114 HG LEU 16 HG LEU 16 -13.610 7.694 7.655 115 HD11 LEU 16 HD11 LEU 16 -15.712 7.267 9.838 116 HD12 LEU 16 HD12 LEU 16 -15.014 5.980 8.845 117 HD13 LEU 16 HD13 LEU 16 -13.969 6.874 9.944 118 HD21 LEU 16 HD21 LEU 16 -16.637 8.021 7.597 119 HD22 LEU 16 HD22 LEU 16 -15.513 8.547 6.320 120 HD23 LEU 16 HD23 LEU 16 -15.663 6.833 6.707 121 H LYS 17 H LYS 17 -14.747 9.806 11.398 122 HA LYS 17 HA LYS 17 -13.351 9.665 13.633 123 HB2 LYS 17 HB2 LYS 17 -15.950 9.437 13.069 124 HB3 LYS 17 HB3 LYS 17 -15.709 7.776 13.542 125 HG2 LYS 17 HG2 LYS 17 -15.070 10.268 15.176 126 HG3 LYS 17 HG3 LYS 17 -16.477 9.240 15.379 127 HD2 LYS 17 HD2 LYS 17 -13.588 8.434 15.958 128 HD3 LYS 17 HD3 LYS 17 -14.827 8.873 17.130 129 HE2 LYS 17 HE2 LYS 17 -16.231 6.950 16.281 130 HE3 LYS 17 HE3 LYS 17 -14.865 6.437 15.300 131 HZ1 LYS 17 HZ1 LYS 17 -14.849 6.687 18.256 132 HZ2 LYS 17 HZ2 LYS 17 -14.916 5.286 17.435 133 HZ3 LYS 17 HZ3 LYS 17 -13.569 6.208 17.361 134 H LYS 18 H LYS 18 -14.463 6.540 12.338 135 HA LYS 18 HA LYS 18 -12.558 4.970 13.883 136 HB2 LYS 18 HB2 LYS 18 -13.633 3.057 12.841 137 HB3 LYS 18 HB3 LYS 18 -14.834 4.181 13.469 138 HG2 LYS 18 HG2 LYS 18 -15.343 5.008 11.245 139 HG3 LYS 18 HG3 LYS 18 -13.982 4.115 10.538 140 HD2 LYS 18 HD2 LYS 18 -15.067 1.976 11.182 141 HD3 LYS 18 HD3 LYS 18 -16.457 2.888 11.816 142 HE2 LYS 18 HE2 LYS 18 -16.843 3.865 9.579 143 HE3 LYS 18 HE3 LYS 18 -15.424 3.037 8.952 144 HZ1 LYS 18 HZ1 LYS 18 -17.851 1.683 9.992 145 HZ2 LYS 18 HZ2 LYS 18 -17.449 1.826 8.419 146 HZ3 LYS 18 HZ3 LYS 18 -16.528 0.917 9.408 147 H ASP 19 H ASP 19 -12.196 6.509 10.880 148 HA ASP 19 HA ASP 19 -10.181 4.590 9.848 149 HB2 ASP 19 HB2 ASP 19 -11.740 6.884 8.688 150 HB3 ASP 19 HB3 ASP 19 -10.176 6.502 8.001 151 H CYS 20 H CYS 20 -10.283 7.512 11.718 152 HA CYS 20 HA CYS 20 -7.645 8.423 11.193 153 HB2 CYS 20 HB2 CYS 20 -9.445 9.705 12.379 154 HB3 CYS 20 HB3 CYS 20 -9.159 8.719 13.820 155 HG CYS 20 HG CYS 20 -7.926 11.053 13.980 156 HA PRO 21 HA PRO 21 -5.866 5.427 14.422 157 HB2 PRO 21 HB2 PRO 21 -7.328 3.569 15.732 158 HB3 PRO 21 HB3 PRO 21 -7.251 5.268 16.285 159 HG2 PRO 21 HG2 PRO 21 -9.405 3.984 14.571 160 HG3 PRO 21 HG3 PRO 21 -9.618 4.958 16.059 161 HD2 PRO 21 HD2 PRO 21 -9.822 6.050 13.572 162 HD3 PRO 21 HD3 PRO 21 -9.118 6.951 14.947 163 H HIS 22 H HIS 22 -4.909 3.392 13.932 164 HA HIS 22 HA HIS 22 -6.168 1.857 11.689 165 HB2 HIS 22 HB2 HIS 22 -4.078 1.667 10.632 166 HB3 HIS 22 HB3 HIS 22 -4.303 3.360 11.027 167 HD1 HIS 22 HD1 HIS 22 -2.510 4.410 12.752 168 HD2 HIS 22 HD2 HIS 22 -2.116 0.314 11.921 169 HE1 HIS 22 HE1 HIS 22 -0.253 3.708 13.676 170 H ILE 23 H ILE 23 -5.476 1.418 14.866 171 HA ILE 23 HA ILE 23 -4.504 -1.372 14.573 172 HB ILE 23 HB ILE 23 -3.781 -1.322 16.801 173 HG12 ILE 23 HG12 ILE 23 -5.450 -0.040 17.984 174 HG13 ILE 23 HG13 ILE 23 -3.836 0.540 18.314 175 HG21 ILE 23 HG21 ILE 23 -2.001 0.313 16.676 176 HG22 ILE 23 HG22 ILE 23 -2.289 -0.432 15.099 177 HG23 ILE 23 HG23 ILE 23 -2.856 1.217 15.413 178 HD11 ILE 23 HD11 ILE 23 -4.226 2.489 16.789 179 HD12 ILE 23 HD12 ILE 23 -5.905 1.917 16.556 180 HD13 ILE 23 HD13 ILE 23 -5.343 2.412 18.157 181 H ILE 24 H ILE 24 -7.360 -0.436 14.212 182 HA ILE 24 HA ILE 24 -8.757 -1.830 16.448 183 HB ILE 24 HB ILE 24 -9.923 0.103 14.427 184 HG12 ILE 24 HG12 ILE 24 -8.187 1.374 15.527 185 HG13 ILE 24 HG13 ILE 24 -9.764 1.905 16.057 186 HG21 ILE 24 HG21 ILE 24 -11.604 -1.210 15.584 187 HG22 ILE 24 HG22 ILE 24 -10.861 -0.838 17.162 188 HG23 ILE 24 HG23 ILE 24 -11.640 0.439 16.203 189 HD11 ILE 24 HD11 ILE 24 -7.930 0.083 17.683 190 HD12 ILE 24 HD12 ILE 24 -8.132 1.828 17.904 191 HD13 ILE 24 HD13 ILE 24 -9.498 0.742 18.209 192 H CYS 25 H CYS 25 -10.070 -3.617 16.078 193 HA CYS 25 HA CYS 25 -10.197 -4.644 13.304 194 HB2 CYS 25 HB2 CYS 25 -11.031 -6.737 14.270 195 HB3 CYS 25 HB3 CYS 25 -9.409 -6.279 14.777 196 HG CYS 25 HG CYS 25 -9.972 -5.458 17.121 197 H SER 26 H SER 26 -12.043 -5.136 12.189 198 HA SER 26 HA SER 26 -13.837 -2.950 12.272 199 HB2 SER 26 HB2 SER 26 -14.825 -4.138 10.260 200 HB3 SER 26 HB3 SER 26 -13.082 -3.808 10.190 201 HG SER 26 HG SER 26 -13.582 -5.982 9.660 202 H TYR 27 H TYR 27 -15.935 -2.718 12.683 203 HA TYR 27 HA TYR 27 -17.743 -2.845 14.005 204 HB2 TYR 27 HB2 TYR 27 -17.929 -5.540 12.635 205 HB3 TYR 27 HB3 TYR 27 -19.181 -4.941 13.698 206 HD1 TYR 27 HD2 TYR 27 -20.296 -2.735 13.284 207 HD2 TYR 27 HD1 TYR 27 -17.921 -4.781 10.325 208 HE1 TYR 27 HE2 TYR 27 -21.452 -1.465 11.480 209 HE2 TYR 27 HE1 TYR 27 -19.087 -3.524 8.521 210 HH TYR 27 HH TYR 27 -20.744 -1.937 8.071 211 H CYS 28 H CYS 28 -15.133 -4.003 15.194 212 HA CYS 28 HA CYS 28 -16.281 -5.264 17.618 213 HB2 CYS 28 HB2 CYS 28 -15.827 -6.909 15.685 214 HB3 CYS 28 HB3 CYS 28 -14.115 -6.535 15.889 215 HG CYS 28 HG CYS 28 -16.304 -7.913 17.945 216 H GLY 29 H GLY 29 -14.892 -2.607 17.200 217 HA2 GLY 29 HA2 GLY 29 -12.901 -2.952 19.321 218 HA3 GLY 29 HA3 GLY 29 -12.209 -2.549 17.759 219 H ALA 30 H ALA 30 -12.031 -1.088 20.172 220 HA ALA 30 HA ALA 30 -13.052 1.543 19.324 221 HB1 ALA 30 HB1 ALA 30 -13.473 0.376 22.111 222 HB2 ALA 30 HB2 ALA 30 -13.827 2.048 21.621 223 HB3 ALA 30 HB3 ALA 30 -14.742 0.708 20.914 224 H THR 31 H THR 31 -11.652 3.187 19.797 225 HA THR 31 HA THR 31 -8.929 2.406 20.105 226 HB THR 31 HB THR 31 -9.037 4.085 18.637 227 HG1 THR 31 HG1 THR 31 -7.660 4.923 20.197 228 HG21 THR 31 HG21 THR 31 -10.353 6.174 18.818 229 HG22 THR 31 HG22 THR 31 -11.369 4.734 18.735 230 HG23 THR 31 HG23 THR 31 -11.093 5.557 20.308 231 H ASP 32 H ASP 32 -11.145 3.471 22.567 232 HA ASP 32 HA ASP 32 -8.917 3.228 24.538 233 HB2 ASP 32 HB2 ASP 32 -9.449 5.638 23.890 234 HB3 ASP 32 HB3 ASP 32 -11.013 5.414 24.658 235 H ASP 33 H ASP 33 -11.455 1.565 23.732 236 HA ASP 33 HA ASP 33 -12.407 1.088 26.532 237 HB2 ASP 33 HB2 ASP 33 -13.882 2.681 25.222 238 HB3 ASP 33 HB3 ASP 33 -14.248 1.351 24.135 239 H HIS 34 H HIS 34 -11.023 -0.415 23.941 240 HA HIS 34 HA HIS 34 -12.603 -2.937 24.133 241 HB2 HIS 34 HB2 HIS 34 -12.550 -1.966 21.962 242 HB3 HIS 34 HB3 HIS 34 -10.795 -1.738 22.036 243 HD1 HIS 34 HD1 HIS 34 -9.289 -3.679 21.228 244 HD2 HIS 34 HD2 HIS 34 -13.382 -4.605 21.512 245 HE1 HIS 34 HE1 HIS 34 -9.615 -5.913 20.051 246 H TYR 35 H TYR 35 -11.640 -4.939 24.346 247 HA TYR 35 HA TYR 35 -8.737 -5.180 24.633 248 HB2 TYR 35 HB2 TYR 35 -9.475 -4.852 26.960 249 HB3 TYR 35 HB3 TYR 35 -10.668 -6.133 26.775 250 HD1 TYR 35 HD1 TYR 35 -6.957 -5.721 26.123 251 HD2 TYR 35 HD2 TYR 35 -10.100 -8.121 27.852 252 HE1 TYR 35 HE1 TYR 35 -5.283 -7.422 26.804 253 HE2 TYR 35 HE2 TYR 35 -8.400 -9.791 28.586 254 HH TYR 35 HH TYR 35 -4.985 -9.481 27.885 255 H SER 36 H SER 36 -7.962 -7.210 24.111 256 HA SER 36 HA SER 36 -9.165 -8.492 21.979 257 HB2 SER 36 HB2 SER 36 -6.781 -8.527 22.455 258 HB3 SER 36 HB3 SER 36 -7.037 -9.463 23.942 259 HG SER 36 HG SER 36 -7.393 -10.303 21.307 260 H ARG 37 H ARG 37 -9.217 -9.623 25.369 261 HA ARG 37 HA ARG 37 -10.720 -12.056 24.715 262 HB2 ARG 37 HB2 ARG 37 -10.061 -10.773 27.394 263 HB3 ARG 37 HB3 ARG 37 -10.769 -12.364 27.183 264 HG2 ARG 37 HG2 ARG 37 -7.987 -11.576 26.201 265 HG3 ARG 37 HG3 ARG 37 -8.362 -12.483 27.667 266 HD2 ARG 37 HD2 ARG 37 -9.483 -14.225 26.249 267 HD3 ARG 37 HD3 ARG 37 -8.900 -13.374 24.809 268 HE ARG 37 HE ARG 37 -6.612 -13.773 26.321 269 HH11 ARG 37 HH11 ARG 37 -9.018 -15.966 24.984 270 HH12 ARG 37 HH12 ARG 37 -7.877 -17.288 24.873 271 HH21 ARG 37 HH21 ARG 37 -5.220 -15.499 26.148 272 HH22 ARG 37 HH22 ARG 37 -5.783 -17.023 25.511 273 H HIS 38 H HIS 38 -11.694 -8.833 25.174 274 HA HIS 38 HA HIS 38 -14.469 -9.622 25.947 275 HB2 HIS 38 HB2 HIS 38 -13.121 -6.906 25.987 276 HB3 HIS 38 HB3 HIS 38 -14.756 -7.266 26.531 277 HD1 HIS 38 HD1 HIS 38 -13.664 -10.034 28.155 278 HD2 HIS 38 HD2 HIS 38 -12.489 -6.014 28.471 279 HE1 HIS 38 HE1 HIS 38 -12.632 -9.773 30.456 280 H CYS 39 H CYS 39 -12.628 -8.438 23.282 281 HA CYS 39 HA CYS 39 -13.227 -7.483 21.287 282 HB2 CYS 39 HB2 CYS 39 -13.611 -10.379 21.484 283 HB3 CYS 39 HB3 CYS 39 -14.328 -9.642 20.042 284 HG CYS 39 HG CYS 39 -11.237 -9.722 21.093 285 HA PRO 40 HA PRO 40 -17.234 -7.449 19.452 286 HB2 PRO 40 HB2 PRO 40 -19.319 -9.046 20.875 287 HB3 PRO 40 HB3 PRO 40 -18.901 -9.011 19.139 288 HG2 PRO 40 HG2 PRO 40 -18.181 -11.109 20.710 289 HG3 PRO 40 HG3 PRO 40 -17.052 -10.471 19.471 290 HD2 PRO 40 HD2 PRO 40 -17.142 -9.838 22.433 291 HD3 PRO 40 HD3 PRO 40 -15.760 -10.370 21.466 292 H LYS 41 H LYS 41 -17.645 -7.072 22.895 293 HA LYS 41 HA LYS 41 -20.076 -5.460 22.738 294 HB2 LYS 41 HB2 LYS 41 -18.176 -6.026 25.047 295 HB3 LYS 41 HB3 LYS 41 -19.705 -5.178 25.200 296 HG2 LYS 41 HG2 LYS 41 -19.352 -8.084 24.383 297 HG3 LYS 41 HG3 LYS 41 -19.941 -7.461 25.921 298 HD2 LYS 41 HD2 LYS 41 -21.872 -6.379 24.625 299 HD3 LYS 41 HD3 LYS 41 -21.328 -7.322 23.220 300 HE2 LYS 41 HE2 LYS 41 -21.493 -9.398 24.652 301 HE3 LYS 41 HE3 LYS 41 -22.199 -8.407 25.934 302 HZ1 LYS 41 HZ1 LYS 41 -24.024 -7.883 24.393 303 HZ2 LYS 41 HZ2 LYS 41 -23.335 -8.804 23.242 304 HZ3 LYS 41 HZ3 LYS 41 -23.916 -9.493 24.601 305 H ALA 42 H ALA 42 -17.098 -4.553 21.790 306 HA ALA 42 HA ALA 42 -16.767 -2.030 23.116 307 HB1 ALA 42 HB1 ALA 42 -15.607 -3.160 20.544 308 HB2 ALA 42 HB2 ALA 42 -15.005 -1.721 21.395 309 HB3 ALA 42 HB3 ALA 42 -14.942 -3.306 22.192 310 H ILE 43 H ILE 43 -18.781 -2.865 20.394 311 HA ILE 43 HA ILE 43 -19.538 -0.002 20.028 312 HB ILE 43 HB ILE 43 -19.162 -2.059 17.827 313 HG12 ILE 43 HG12 ILE 43 -17.807 0.648 17.830 314 HG13 ILE 43 HG13 ILE 43 -17.086 -0.637 18.785 315 HG21 ILE 43 HG21 ILE 43 -21.149 -0.675 17.329 316 HG22 ILE 43 HG22 ILE 43 -20.222 0.803 17.654 317 HG23 ILE 43 HG23 ILE 43 -19.832 -0.217 16.261 318 HD11 ILE 43 HD11 ILE 43 -17.747 -0.990 15.834 319 HD12 ILE 43 HD12 ILE 43 -16.170 -0.485 16.458 320 HD13 ILE 43 HD13 ILE 43 -16.827 -2.075 16.904 321 H GLN 44 H GLN 44 -21.744 0.342 19.859 322 HA GLN 44 HA GLN 44 -23.553 -1.937 19.599 323 HB2 GLN 44 HB2 GLN 44 -24.745 -1.540 21.680 324 HB3 GLN 44 HB3 GLN 44 -23.053 -1.908 22.010 325 HG2 GLN 44 HG2 GLN 44 -22.603 0.515 22.380 326 HG3 GLN 44 HG3 GLN 44 -24.297 0.880 22.041 327 HE21 GLN 44 HE22 GLN 44 -23.986 1.890 24.316 328 HE22 GLN 44 HE21 GLN 44 -24.314 0.811 25.668 329 H CYS 45 H CYS 45 -25.783 -1.404 19.490 330 HA CYS 45 HA CYS 45 -26.472 0.936 17.927 331 HB2 CYS 45 HB2 CYS 45 -27.537 -1.261 17.622 332 HB3 CYS 45 HB3 CYS 45 -28.084 -1.255 19.300 333 HG CYS 45 HG CYS 45 -28.909 0.818 16.860 334 H SER 46 H SER 46 -27.973 2.588 18.539 335 HA SER 46 HA SER 46 -27.685 3.790 21.101 336 HB2 SER 46 HB2 SER 46 -29.959 4.278 19.128 337 HB3 SER 46 HB3 SER 46 -29.226 5.423 20.272 338 HG SER 46 HG SER 46 -27.392 5.372 18.991 339 H LYS 47 H LYS 47 -29.855 1.297 20.092 340 HA LYS 47 HA LYS 47 -31.608 1.697 22.479 341 HB2 LYS 47 HB2 LYS 47 -32.484 2.479 20.239 342 HB3 LYS 47 HB3 LYS 47 -32.549 0.796 19.736 343 HG2 LYS 47 HG2 LYS 47 -34.224 0.278 21.381 344 HG3 LYS 47 HG3 LYS 47 -33.956 1.793 22.251 345 HD2 LYS 47 HD2 LYS 47 -35.073 1.627 19.420 346 HD3 LYS 47 HD3 LYS 47 -36.061 1.687 20.885 347 HE2 LYS 47 HE2 LYS 47 -35.001 3.855 21.503 348 HE3 LYS 47 HE3 LYS 47 -34.089 3.834 19.999 349 HZ1 LYS 47 HZ1 LYS 47 -37.051 3.888 20.186 350 HZ2 LYS 47 HZ2 LYS 47 -36.110 5.157 19.800 351 HZ3 LYS 47 HZ3 LYS 47 -36.200 3.884 18.789 352 H CYS 48 H CYS 48 -29.420 -0.487 21.255 353 HA CYS 48 HA CYS 48 -30.302 -2.408 23.241 354 HB2 CYS 48 HB2 CYS 48 -30.301 -4.384 21.841 355 HB3 CYS 48 HB3 CYS 48 -31.528 -3.253 21.273 356 HG CYS 48 HG CYS 48 -28.477 -3.699 20.096 357 H ASP 49 H ASP 49 -28.598 -3.959 23.857 358 HA ASP 49 HA ASP 49 -25.954 -2.786 23.593 359 HB2 ASP 49 HB2 ASP 49 -25.195 -4.264 25.154 360 HB3 ASP 49 HB3 ASP 49 -26.853 -4.014 25.652 361 H GLU 50 H GLU 50 -24.087 -3.767 22.725 362 HA GLU 50 HA GLU 50 -22.881 -4.517 20.958 363 HB2 GLU 50 HB2 GLU 50 -23.922 -6.717 21.960 364 HB3 GLU 50 HB3 GLU 50 -24.807 -6.769 20.436 365 HG2 GLU 50 HG2 GLU 50 -22.624 -6.752 19.218 366 HG3 GLU 50 HG3 GLU 50 -21.784 -6.707 20.769 367 H VAL 51 H VAL 51 -23.026 -5.122 18.480 368 HA VAL 51 HA VAL 51 -24.930 -3.323 17.121 369 HB VAL 51 HB VAL 51 -23.827 -4.155 15.037 370 HG11 VAL 51 HG11 VAL 51 -21.859 -2.728 15.371 371 HG12 VAL 51 HG12 VAL 51 -23.295 -2.013 16.114 372 HG13 VAL 51 HG13 VAL 51 -22.078 -2.817 17.133 373 HG21 VAL 51 HG21 VAL 51 -21.618 -5.176 15.169 374 HG22 VAL 51 HG22 VAL 51 -21.697 -5.268 16.935 375 HG23 VAL 51 HG23 VAL 51 -22.772 -6.274 15.936 376 H GLY 52 H GLY 52 -26.674 -4.402 18.102 377 HA2 GLY 52 HA2 GLY 52 -27.164 -7.136 18.020 378 HA3 GLY 52 HA3 GLY 52 -28.285 -5.897 18.532 379 H HIS 53 H HIS 53 -30.131 -5.778 17.502 380 HA HIS 53 HA HIS 53 -30.797 -8.082 16.121 381 HB2 HIS 53 HB2 HIS 53 -33.134 -7.085 16.183 382 HB3 HIS 53 HB3 HIS 53 -32.267 -7.258 17.694 383 HD1 HIS 53 HD1 HIS 53 -33.321 -5.329 19.060 384 HD2 HIS 53 HD2 HIS 53 -31.874 -4.176 15.290 385 HE1 HIS 53 HE1 HIS 53 -33.442 -2.794 18.991 386 H TYR 54 H TYR 54 -29.717 -5.359 14.430 387 HA TYR 54 HA TYR 54 -30.937 -6.432 11.923 388 HB2 TYR 54 HB2 TYR 54 -30.725 -3.546 12.803 389 HB3 TYR 54 HB3 TYR 54 -30.776 -3.988 11.104 390 HD1 TYR 54 HD2 TYR 54 -32.694 -5.848 10.543 391 HD2 TYR 54 HD1 TYR 54 -32.821 -2.834 13.627 392 HE1 TYR 54 HE2 TYR 54 -35.180 -5.905 10.502 393 HE2 TYR 54 HE1 TYR 54 -35.303 -2.894 13.583 394 HH TYR 54 HH TYR 54 -37.169 -3.881 12.563 395 H ARG 55 H ARG 55 -29.482 -7.265 10.755 396 HA ARG 55 HA ARG 55 -27.552 -7.751 9.642 397 HB2 ARG 55 HB2 ARG 55 -27.123 -6.094 7.929 398 HB3 ARG 55 HB3 ARG 55 -28.840 -6.290 8.215 399 HG2 ARG 55 HG2 ARG 55 -29.117 -4.157 9.059 400 HG3 ARG 55 HG3 ARG 55 -27.518 -4.127 9.794 401 HD2 ARG 55 HD2 ARG 55 -27.504 -2.500 8.109 402 HD3 ARG 55 HD3 ARG 55 -26.473 -3.830 7.578 403 HE ARG 55 HE ARG 55 -29.020 -4.283 6.442 404 HH11 ARG 55 HH12 ARG 55 -26.519 -1.828 6.179 405 HH12 ARG 55 HH11 ARG 55 -26.970 -1.389 4.548 406 HH21 ARG 55 HH22 ARG 55 -29.534 -3.682 4.336 407 HH22 ARG 55 HH21 ARG 55 -28.622 -2.417 3.547 408 H SER 56 H SER 56 -26.752 -7.083 12.325 409 HA SER 56 HA SER 56 -25.014 -6.428 13.618 410 HB2 SER 56 HB2 SER 56 -23.345 -7.168 11.212 411 HB3 SER 56 HB3 SER 56 -22.803 -7.093 12.900 412 HG SER 56 HG SER 56 -23.518 -9.193 12.228 413 H GLN 57 H GLN 57 -26.246 -4.270 12.178 414 HA GLN 57 HA GLN 57 -24.112 -2.202 12.339 415 HB2 GLN 57 HB2 GLN 57 -24.298 -3.048 9.981 416 HB3 GLN 57 HB3 GLN 57 -25.989 -2.541 9.962 417 HG2 GLN 57 HG2 GLN 57 -25.221 -0.166 10.353 418 HG3 GLN 57 HG3 GLN 57 -23.555 -0.743 10.311 419 HE21 GLN 57 HE22 GLN 57 -23.160 0.725 8.483 420 HE22 GLN 57 HE21 GLN 57 -23.786 0.319 6.888 421 H CYS 58 H CYS 58 -27.593 -2.956 12.310 422 HA CYS 58 HA CYS 58 -29.466 -1.746 12.693 423 HB2 CYS 58 HB2 CYS 58 -27.726 -0.893 15.020 424 HB3 CYS 58 HB3 CYS 58 -29.475 -0.647 14.933 425 HG CYS 58 HG CYS 58 -27.832 -3.507 14.697 426 HA PRO 59 HA PRO 59 -28.214 2.380 10.853 427 HB2 PRO 59 HB2 PRO 59 -29.128 2.082 8.317 428 HB3 PRO 59 HB3 PRO 59 -27.542 1.433 8.828 429 HG2 PRO 59 HG2 PRO 59 -30.188 -0.058 8.687 430 HG3 PRO 59 HG3 PRO 59 -28.627 -0.520 7.938 431 HD2 PRO 59 HD2 PRO 59 -29.398 -1.508 10.358 432 HD3 PRO 59 HD3 PRO 59 -27.689 -1.088 10.033 433 H HIS 60 H HIS 60 -29.770 3.994 9.878 434 HA HIS 60 HA HIS 60 -32.644 3.400 10.254 435 HB2 HIS 60 HB2 HIS 60 -33.094 5.373 11.479 436 HB3 HIS 60 HB3 HIS 60 -31.817 4.517 12.324 437 HD1 HIS 60 HD1 HIS 60 -29.347 5.733 12.254 438 HD2 HIS 60 HD2 HIS 60 -32.569 7.813 10.544 439 HE1 HIS 60 HE1 HIS 60 -28.561 8.126 11.931 440 H LYS 61 H LYS 61 -34.069 4.890 9.150 441 HA LYS 61 HA LYS 61 -33.028 5.537 6.480 442 HB2 LYS 61 HB2 LYS 61 -35.084 4.171 6.915 443 HB3 LYS 61 HB3 LYS 61 -35.885 5.627 7.511 444 HG2 LYS 61 HG2 LYS 61 -35.573 6.707 5.296 445 HG3 LYS 61 HG3 LYS 61 -34.738 5.268 4.703 446 HD2 LYS 61 HD2 LYS 61 -37.633 5.364 5.658 447 HD3 LYS 61 HD3 LYS 61 -37.109 5.422 3.972 448 HE2 LYS 61 HE2 LYS 61 -36.050 3.187 4.226 449 HE3 LYS 61 HE3 LYS 61 -36.616 3.109 5.890 450 HZ1 LYS 61 HZ1 LYS 61 -38.117 1.939 4.403 451 HZ2 LYS 61 HZ2 LYS 61 -38.900 3.210 5.052 452 HZ3 LYS 61 HZ3 LYS 61 -38.373 3.274 3.506 453 H TRP 62 H TRP 62 -32.941 7.488 5.501 454 HA TRP 62 HA TRP 62 -32.908 9.903 7.115 455 HB2 TRP 62 HB2 TRP 62 -32.631 9.471 4.126 456 HB3 TRP 62 HB3 TRP 62 -32.361 10.998 4.947 457 HD1 TRP 62 HD1 TRP 62 -30.629 7.861 3.996 458 HE1 TRP 62 HE1 TRP 62 -28.217 7.855 4.837 459 HE3 TRP 62 HE3 TRP 62 -30.864 11.879 7.157 460 HZ2 TRP 62 HZ2 TRP 62 -26.574 9.399 6.624 461 HZ3 TRP 62 HZ3 TRP 62 -28.844 12.588 8.414 462 HH2 TRP 62 HH2 TRP 62 -26.704 11.364 8.155 463 H LYS 63 H LYS 63 -34.056 11.843 6.688 464 HA LYS 63 HA LYS 63 -36.726 11.618 5.375 465 HB2 LYS 63 HB2 LYS 63 -36.710 11.543 7.954 466 HB3 LYS 63 HB3 LYS 63 -36.272 13.249 7.885 467 HG2 LYS 63 HG2 LYS 63 -38.373 13.569 6.403 468 HG3 LYS 63 HG3 LYS 63 -38.786 11.901 6.793 469 HD2 LYS 63 HD2 LYS 63 -38.427 14.181 8.787 470 HD3 LYS 63 HD3 LYS 63 -39.970 13.539 8.211 471 HE2 LYS 63 HE2 LYS 63 -39.421 11.329 9.197 472 HE3 LYS 63 HE3 LYS 63 -37.893 11.970 9.793 473 HZ1 LYS 63 HZ1 LYS 63 -40.574 12.947 10.601 474 HZ2 LYS 63 HZ2 LYS 63 -39.591 12.023 11.513 475 HZ3 LYS 63 HZ3 LYS 63 -39.157 13.551 11.147 476 H LYS 64 H LYS 64 -34.545 12.407 3.987 477 HA LYS 64 HA LYS 64 -34.133 15.283 4.006 478 HB2 LYS 64 HB2 LYS 64 -32.677 13.146 3.066 479 HB3 LYS 64 HB3 LYS 64 -33.419 13.689 1.575 480 HG2 LYS 64 HG2 LYS 64 -31.327 14.781 1.717 481 HG3 LYS 64 HG3 LYS 64 -32.508 16.029 2.117 482 HD2 LYS 64 HD2 LYS 64 -32.022 15.667 4.557 483 HD3 LYS 64 HD3 LYS 64 -30.868 14.394 4.116 484 HE2 LYS 64 HE2 LYS 64 -29.545 16.051 2.832 485 HE3 LYS 64 HE3 LYS 64 -30.683 17.314 3.281 486 HZ1 LYS 64 HZ1 LYS 64 -28.749 17.308 4.739 487 HZ2 LYS 64 HZ2 LYS 64 -30.075 16.944 5.613 488 HZ3 LYS 64 HZ3 LYS 64 -29.019 15.768 5.193 489 H VAL 65 H VAL 65 -34.634 16.786 2.299 490 HA VAL 65 HA VAL 65 -37.404 16.598 1.529 491 HB VAL 65 HB VAL 65 -36.445 18.682 2.236 492 HG11 VAL 65 HG11 VAL 65 -34.897 18.790 -0.385 493 HG12 VAL 65 HG12 VAL 65 -35.007 20.060 0.850 494 HG13 VAL 65 HG13 VAL 65 -34.181 18.543 1.225 495 HG21 VAL 65 HG21 VAL 65 -37.490 20.143 0.641 496 HG22 VAL 65 HG22 VAL 65 -37.386 18.931 -0.646 497 HG23 VAL 65 HG23 VAL 65 -38.449 18.668 0.765 498 H GLN 66 H GLN 66 -38.376 16.003 -0.270 499 HA GLN 66 HA GLN 66 -36.740 14.878 -2.476 500 HB2 GLN 66 HB2 GLN 66 -39.596 14.346 -1.586 501 HB3 GLN 66 HB3 GLN 66 -38.798 13.539 -2.930 502 HG2 GLN 66 HG2 GLN 66 -37.879 13.380 -0.027 503 HG3 GLN 66 HG3 GLN 66 -38.836 12.175 -0.870 504 HE21 GLN 66 HE22 GLN 66 -37.820 11.097 -2.831 505 HE22 GLN 66 HE21 GLN 66 -36.070 10.921 -2.819 506 H CYS 67 H CYS 67 -38.046 17.808 -2.118 507 HA CYS 67 HA CYS 67 -39.882 18.024 -4.331 508 HB2 CYS 67 HB2 CYS 67 -38.318 20.161 -2.827 509 HB3 CYS 67 HB3 CYS 67 -39.667 20.460 -3.930 510 HG CYS 67 HG CYS 67 -39.734 18.603 -1.200 511 H THR 68 H THR 68 -36.470 17.984 -4.360 512 HA THR 68 HA THR 68 -34.820 18.554 -5.664 513 HB THR 68 HB THR 68 -36.345 17.373 -7.386 514 HG1 THR 68 HG1 THR 68 -34.558 17.566 -8.645 515 HG21 THR 68 HG21 THR 68 -36.699 18.512 -9.465 516 HG22 THR 68 HG22 THR 68 -37.559 19.479 -8.276 517 HG23 THR 68 HG23 THR 68 -35.974 20.014 -8.866 518 H LEU 69 H LEU 69 -37.414 20.904 -6.374 519 HA LEU 69 HA LEU 69 -35.435 22.962 -6.942 520 HB2 LEU 69 HB2 LEU 69 -37.092 24.233 -7.828 521 HB3 LEU 69 HB3 LEU 69 -37.605 22.603 -8.209 522 HG LEU 69 HG LEU 69 -38.743 24.388 -5.997 523 HD11 LEU 69 HD11 LEU 69 -40.738 24.465 -7.442 524 HD12 LEU 69 HD12 LEU 69 -39.320 25.122 -8.274 525 HD13 LEU 69 HD13 LEU 69 -39.900 23.490 -8.672 526 HD21 LEU 69 HD21 LEU 69 -40.525 22.711 -5.790 527 HD22 LEU 69 HD22 LEU 69 -39.695 21.661 -6.952 528 HD23 LEU 69 HD23 LEU 69 -38.955 22.012 -5.368 529 H CYS 70 H CYS 70 -36.329 21.854 -4.037 530 HA CYS 70 HA CYS 70 -36.361 24.533 -2.702 531 HB2 CYS 70 HB2 CYS 70 -37.504 21.872 -1.783 532 HB3 CYS 70 HB3 CYS 70 -37.432 23.329 -0.796 533 HG CYS 70 HG CYS 70 -38.807 23.106 -3.794 534 H LYS 71 H LYS 71 -35.250 24.817 -0.799 535 HA LYS 71 HA LYS 71 -33.263 22.774 0.079 536 HB2 LYS 71 HB2 LYS 71 -33.023 25.806 0.286 537 HB3 LYS 71 HB3 LYS 71 -31.934 24.656 1.046 538 HG2 LYS 71 HG2 LYS 71 -32.313 24.986 -1.957 539 HG3 LYS 71 HG3 LYS 71 -30.990 25.640 -0.991 540 HD2 LYS 71 HD2 LYS 71 -30.357 23.309 -0.320 541 HD3 LYS 71 HD3 LYS 71 -31.571 22.673 -1.434 542 HE2 LYS 71 HE2 LYS 71 -29.222 24.455 -2.205 543 HE3 LYS 71 HE3 LYS 71 -29.239 22.704 -2.332 544 HZ1 LYS 71 HZ1 LYS 71 -29.790 23.683 -4.445 545 HZ2 LYS 71 HZ2 LYS 71 -31.106 22.898 -3.893 546 HZ3 LYS 71 HZ3 LYS 71 -31.030 24.535 -3.824 547 H SER 72 H SER 72 -32.973 22.700 2.381 548 HA SER 72 HA SER 72 -35.493 22.552 3.688 549 HB2 SER 72 HB2 SER 72 -32.703 22.228 4.822 550 HB3 SER 72 HB3 SER 72 -34.213 21.620 5.537 551 HG SER 72 HG SER 72 -33.185 20.069 4.191 552 H LYS 73 H LYS 73 -33.150 25.133 3.728 553 HA LYS 73 HA LYS 73 -33.844 26.235 6.289 554 HB2 LYS 73 HB2 LYS 73 -32.686 28.256 5.559 555 HB3 LYS 73 HB3 LYS 73 -31.741 26.790 5.332 556 HG2 LYS 73 HG2 LYS 73 -32.116 26.832 2.922 557 HG3 LYS 73 HG3 LYS 73 -33.277 28.156 3.074 558 HD2 LYS 73 HD2 LYS 73 -31.179 29.017 2.263 559 HD3 LYS 73 HD3 LYS 73 -31.514 29.667 3.870 560 HE2 LYS 73 HE2 LYS 73 -29.947 28.017 4.864 561 HE3 LYS 73 HE3 LYS 73 -29.637 27.343 3.267 562 HZ1 LYS 73 HZ1 LYS 73 -28.726 29.510 2.611 563 HZ2 LYS 73 HZ2 LYS 73 -29.001 30.118 4.102 564 HZ3 LYS 73 HZ3 LYS 73 -27.919 28.922 3.895 565 H LYS 74 H LYS 74 -35.313 27.569 6.965 566 HA LYS 74 HA LYS 74 -37.361 28.541 7.151 567 HB2 LYS 74 HB2 LYS 74 -35.620 30.245 6.257 568 HB3 LYS 74 HB3 LYS 74 -36.558 30.218 4.767 569 HG2 LYS 74 HG2 LYS 74 -38.584 30.925 6.085 570 HG3 LYS 74 HG3 LYS 74 -37.598 30.896 7.559 571 HD2 LYS 74 HD2 LYS 74 -36.117 32.659 6.600 572 HD3 LYS 74 HD3 LYS 74 -37.074 32.641 5.117 573 HE2 LYS 74 HE2 LYS 74 -37.786 34.524 6.377 574 HE3 LYS 74 HE3 LYS 74 -39.083 33.341 6.412 575 HZ1 LYS 74 HZ1 LYS 74 -38.680 34.313 8.600 576 HZ2 LYS 74 HZ2 LYS 74 -38.357 32.720 8.661 577 HZ3 LYS 74 HZ3 LYS 74 -37.135 33.807 8.607 578 H HIS 75 H HIS 75 -37.643 26.151 5.742 579 HA HIS 75 HA HIS 75 -39.234 26.580 3.350 580 HB2 HIS 75 HB2 HIS 75 -37.644 24.741 3.558 581 HB3 HIS 75 HB3 HIS 75 -38.561 24.066 4.907 582 HD1 HIS 75 HD1 HIS 75 -41.028 23.013 4.231 583 HD2 HIS 75 HD2 HIS 75 -38.501 24.230 1.105 584 HE1 HIS 75 HE1 HIS 75 -42.022 22.054 2.092 585 H SER 76 H SER 76 -41.376 26.730 3.131 586 HA SER 76 HA SER 76 -43.157 26.325 5.451 587 HB2 SER 76 HB2 SER 76 -43.685 27.477 2.710 588 HB3 SER 76 HB3 SER 76 -44.829 27.427 4.072 589 HG SER 76 HG SER 76 -43.576 29.361 4.010 590 H LYS 77 H LYS 77 -43.910 24.386 5.829 591 HA LYS 77 HA LYS 77 -43.945 22.237 3.952 592 HB2 LYS 77 HB2 LYS 77 -45.321 22.547 6.646 593 HB3 LYS 77 HB3 LYS 77 -45.279 21.047 5.712 594 HG2 LYS 77 HG2 LYS 77 -42.775 21.131 5.722 595 HG3 LYS 77 HG3 LYS 77 -42.837 22.534 6.789 596 HD2 LYS 77 HD2 LYS 77 -43.974 19.772 7.393 597 HD3 LYS 77 HD3 LYS 77 -42.430 20.366 7.979 598 HE2 LYS 77 HE2 LYS 77 -45.122 21.637 8.639 599 HE3 LYS 77 HE3 LYS 77 -44.317 20.440 9.636 600 HZ1 LYS 77 HZ1 LYS 77 -42.446 21.967 9.890 601 HZ2 LYS 77 HZ2 LYS 77 -43.198 23.112 8.994 602 HZ3 LYS 77 HZ3 LYS 77 -43.819 22.649 10.427 603 H GLU 78 H GLU 78 -45.404 21.350 2.710 604 HA GLU 78 HA GLU 78 -46.976 21.333 1.111 605 HB2 GLU 78 HB2 GLU 78 -48.878 22.003 3.372 606 HB3 GLU 78 HB3 GLU 78 -49.311 21.321 1.799 607 HG2 GLU 78 HG2 GLU 78 -47.801 19.368 2.286 608 HG3 GLU 78 HG3 GLU 78 -47.595 19.988 3.918 609 H ARG 79 H ARG 79 -45.717 24.037 1.618 610 HA ARG 79 HA ARG 79 -47.521 25.542 -0.229 611 HB2 ARG 79 HB2 ARG 79 -47.725 26.461 2.045 612 HB3 ARG 79 HB3 ARG 79 -45.984 26.643 2.151 613 HG2 ARG 79 HG2 ARG 79 -46.979 28.781 1.780 614 HG3 ARG 79 HG3 ARG 79 -46.044 28.372 0.356 615 HD2 ARG 79 HD2 ARG 79 -49.064 28.023 0.597 616 HD3 ARG 79 HD3 ARG 79 -48.288 29.473 -0.051 617 HE ARG 79 HE ARG 79 -47.186 27.490 -1.577 618 HH11 ARG 79 HH11 ARG 79 -50.532 28.396 -1.046 619 HH12 ARG 79 HH12 ARG 79 -51.060 27.625 -2.528 620 HH21 ARG 79 HH21 ARG 79 -47.897 26.520 -3.384 621 HH22 ARG 79 HH22 ARG 79 -49.585 26.587 -3.835 622 H CYS 80 H CYS 80 -44.212 25.065 0.886 623 HA CYS 80 HA CYS 80 -42.207 25.168 -0.005 624 HB2 CYS 80 HB2 CYS 80 -43.607 25.123 -2.688 625 HB3 CYS 80 HB3 CYS 80 -41.893 24.808 -2.422 626 HG CYS 80 HG CYS 80 -43.221 22.570 -2.808 627 HA PRO 81 HA PRO 81 -41.097 29.456 -0.801 628 HB2 PRO 81 HB2 PRO 81 -38.476 29.180 -1.567 629 HB3 PRO 81 HB3 PRO 81 -39.027 29.008 0.122 630 HG2 PRO 81 HG2 PRO 81 -38.506 26.814 -1.910 631 HG3 PRO 81 HG3 PRO 81 -37.949 26.903 -0.212 632 HD2 PRO 81 HD2 PRO 81 -40.153 25.471 -0.905 633 HD3 PRO 81 HD3 PRO 81 -40.102 26.403 0.618 634 H SER 82 H SER 82 -40.465 26.936 -3.203 635 HA SER 82 HA SER 82 -40.918 28.839 -5.458 636 HB2 SER 82 HB2 SER 82 -38.543 28.181 -5.313 637 HB3 SER 82 HB3 SER 82 -39.007 26.466 -5.335 638 HG SER 82 HG SER 82 -39.172 28.371 -7.361 639 H ILE 83 H ILE 83 -41.951 27.991 -7.281 640 HA ILE 83 HA ILE 83 -43.424 25.420 -6.945 641 HB ILE 83 HB ILE 83 -44.688 27.331 -5.990 642 HG12 ILE 83 HG12 ILE 83 -46.061 26.046 -8.376 643 HG13 ILE 83 HG13 ILE 83 -45.764 25.265 -6.820 644 HG21 ILE 83 HG21 ILE 83 -45.693 29.046 -7.361 645 HG22 ILE 83 HG22 ILE 83 -43.957 29.094 -7.628 646 HG23 ILE 83 HG23 ILE 83 -45.019 28.345 -8.843 647 HD11 ILE 83 HD11 ILE 83 -48.037 26.044 -6.845 648 HD12 ILE 83 HD12 ILE 83 -47.131 27.059 -5.706 649 HD13 ILE 83 HD13 ILE 83 -47.551 27.677 -7.323 650 H TRP 84 H TRP 84 -42.125 27.810 -9.195 651 HA TRP 84 HA TRP 84 -43.579 26.616 -11.439 652 HB2 TRP 84 HB2 TRP 84 -43.254 29.107 -10.804 653 HB3 TRP 84 HB3 TRP 84 -41.693 28.958 -11.591 654 HD1 TRP 84 HD1 TRP 84 -41.721 28.821 -14.235 655 HE1 TRP 84 HE1 TRP 84 -43.495 29.294 -16.015 656 HE3 TRP 84 HE3 TRP 84 -45.876 28.843 -11.252 657 HZ2 TRP 84 HZ2 TRP 84 -46.349 29.637 -16.148 658 HZ3 TRP 84 HZ3 TRP 84 -48.116 29.255 -12.242 659 HH2 TRP 84 HH2 TRP 84 -48.363 29.651 -14.675 660 H ARG 85 H ARG 85 -40.362 26.302 -10.236 661 HA ARG 85 HA ARG 85 -39.206 25.544 -12.852 662 HB2 ARG 85 HB2 ARG 85 -37.857 25.904 -10.156 663 HB3 ARG 85 HB3 ARG 85 -37.048 25.577 -11.692 664 HG2 ARG 85 HG2 ARG 85 -38.053 27.711 -12.617 665 HG3 ARG 85 HG3 ARG 85 -38.681 28.050 -11.003 666 HD2 ARG 85 HD2 ARG 85 -36.695 29.300 -11.236 667 HD3 ARG 85 HD3 ARG 85 -36.338 27.983 -10.115 668 HE ARG 85 HE ARG 85 -35.602 27.094 -12.702 669 HH11 ARG 85 HH11 ARG 85 -34.536 29.619 -10.502 670 HH12 ARG 85 HH12 ARG 85 -32.920 29.649 -11.174 671 HH21 ARG 85 HH21 ARG 85 -33.529 27.184 -13.511 672 HH22 ARG 85 HH22 ARG 85 -32.373 28.304 -12.837 673 H ALA 86 H ALA 86 -41.194 23.803 -11.598 674 HA ALA 86 HA ALA 86 -39.741 21.444 -10.660 675 HB1 ALA 86 HB1 ALA 86 -41.996 20.596 -10.207 676 HB2 ALA 86 HB2 ALA 86 -41.811 22.245 -9.588 677 HB3 ALA 86 HB3 ALA 86 -42.708 21.959 -11.095 678 H TYR 87 H TYR 87 -40.547 22.462 -13.811 679 HA TYR 87 HA TYR 87 -41.450 19.903 -14.821 680 HB2 TYR 87 HB2 TYR 87 -42.098 22.275 -15.565 681 HB3 TYR 87 HB3 TYR 87 -40.594 22.287 -16.469 682 HD1 TYR 87 HD2 TYR 87 -43.844 20.499 -16.018 683 HD2 TYR 87 HD1 TYR 87 -40.469 21.183 -18.612 684 HE1 TYR 87 HE2 TYR 87 -45.032 19.335 -17.864 685 HE2 TYR 87 HE1 TYR 87 -41.663 20.016 -20.461 686 HH TYR 87 HH TYR 87 -44.878 18.661 -20.104 687 H ILE 88 H ILE 88 -38.273 21.198 -14.410 688 HA ILE 88 HA ILE 88 -37.070 19.591 -16.578 689 HB ILE 88 HB ILE 88 -35.811 21.505 -14.594 690 HG12 ILE 88 HG12 ILE 88 -36.453 21.789 -17.569 691 HG13 ILE 88 HG13 ILE 88 -37.329 22.573 -16.258 692 HG21 ILE 88 HG21 ILE 88 -34.568 20.100 -17.006 693 HG22 ILE 88 HG22 ILE 88 -33.773 21.325 -15.998 694 HG23 ILE 88 HG23 ILE 88 -34.177 19.776 -15.298 695 HD11 ILE 88 HD11 ILE 88 -35.245 23.808 -15.627 696 HD12 ILE 88 HD12 ILE 88 -34.466 23.149 -17.091 697 HD13 ILE 88 HD13 ILE 88 -35.884 24.194 -17.236 698 H LEU 89 H LEU 89 -36.095 17.705 -16.351 699 HA LEU 89 HA LEU 89 -35.843 16.459 -13.639 700 HB2 LEU 89 HB2 LEU 89 -36.755 15.222 -16.262 701 HB3 LEU 89 HB3 LEU 89 -36.610 14.374 -14.731 702 HG LEU 89 HG LEU 89 -38.574 16.641 -15.288 703 HD11 LEU 89 HD11 LEU 89 -40.268 14.863 -15.217 704 HD12 LEU 89 HD12 LEU 89 -39.100 14.570 -16.514 705 HD13 LEU 89 HD13 LEU 89 -38.998 13.638 -15.005 706 HD21 LEU 89 HD21 LEU 89 -39.611 15.946 -13.146 707 HD22 LEU 89 HD22 LEU 89 -38.280 14.799 -12.870 708 HD23 LEU 89 HD23 LEU 89 -37.972 16.552 -12.891 709 H VAL 90 H VAL 90 -33.786 17.629 -15.804 710 HA VAL 90 HA VAL 90 -32.225 15.254 -16.483 711 HB VAL 90 HB VAL 90 -31.570 18.181 -16.957 712 HG11 VAL 90 HG11 VAL 90 -30.083 17.274 -18.732 713 HG12 VAL 90 HG12 VAL 90 -29.568 16.741 -17.131 714 HG13 VAL 90 HG13 VAL 90 -30.449 15.622 -18.195 715 HG21 VAL 90 HG21 VAL 90 -33.669 17.573 -18.099 716 HG22 VAL 90 HG22 VAL 90 -32.359 17.738 -19.267 717 HG23 VAL 90 HG23 VAL 90 -32.899 16.120 -18.771 718 H ASP 91 H ASP 91 -31.059 14.263 -14.984 719 HA ASP 91 HA ASP 91 -28.784 15.633 -13.785 720 HB2 ASP 91 HB2 ASP 91 -30.515 16.013 -12.057 721 HB3 ASP 91 HB3 ASP 91 -30.864 14.289 -12.013 722 H ASP 92 H ASP 92 -27.046 14.262 -13.629 723 HA ASP 92 HA ASP 92 -27.328 11.378 -13.384 724 HB2 ASP 92 HB2 ASP 92 -26.241 10.751 -15.414 725 HB3 ASP 92 HB3 ASP 92 -27.658 11.689 -15.819 726 H ASN 93 H ASN 93 -25.424 10.289 -12.840 727 HA ASN 93 HA ASN 93 -22.847 11.624 -12.743 728 HB2 ASN 93 HB2 ASN 93 -22.471 11.422 -10.372 729 HB3 ASN 93 HB3 ASN 93 -23.889 12.412 -10.639 730 HD21 ASN 93 HD22 ASN 93 -23.672 11.621 -8.163 731 HD22 ASN 93 HD21 ASN 93 -24.746 10.270 -7.806 732 H GLU 94 H GLU 94 -21.146 10.066 -11.756 733 HA GLU 94 HA GLU 94 -21.626 7.343 -12.868 734 HB2 GLU 94 HB2 GLU 94 -19.021 8.755 -12.220 735 HB3 GLU 94 HB3 GLU 94 -19.187 7.109 -12.844 736 HG2 GLU 94 HG2 GLU 94 -20.422 8.057 -14.834 737 HG3 GLU 94 HG3 GLU 94 -20.012 9.669 -14.264 738 H LYS 95 H LYS 95 -21.303 5.494 -11.746 739 HA LYS 95 HA LYS 95 -20.908 5.611 -8.776 740 HB2 LYS 95 HB2 LYS 95 -23.257 4.375 -10.267 741 HB3 LYS 95 HB3 LYS 95 -22.888 4.085 -8.567 742 HG2 LYS 95 HG2 LYS 95 -23.265 6.422 -8.008 743 HG3 LYS 95 HG3 LYS 95 -23.440 6.857 -9.712 744 HD2 LYS 95 HD2 LYS 95 -25.617 6.766 -8.692 745 HD3 LYS 95 HD3 LYS 95 -25.464 5.494 -9.907 746 HE2 LYS 95 HE2 LYS 95 -25.021 3.839 -8.090 747 HE3 LYS 95 HE3 LYS 95 -25.192 5.121 -6.895 748 HZ1 LYS 95 HZ1 LYS 95 -27.254 3.885 -7.147 749 HZ2 LYS 95 HZ2 LYS 95 -27.496 5.415 -7.653 750 HZ3 LYS 95 HZ3 LYS 95 -27.327 4.208 -8.742 751 H ALA 96 H ALA 96 -21.573 3.225 -11.382 752 HA ALA 96 HA ALA 96 -20.116 1.140 -10.012 753 HB1 ALA 96 HB1 ALA 96 -22.094 0.716 -11.412 754 HB2 ALA 96 HB2 ALA 96 -21.195 1.252 -12.850 755 HB3 ALA 96 HB3 ALA 96 -20.691 -0.206 -11.970 756 H LYS 97 H LYS 97 -18.310 -0.066 -10.857 757 HA LYS 97 HA LYS 97 -16.431 1.274 -12.670 758 HB2 LYS 97 HB2 LYS 97 -14.591 1.264 -11.028 759 HB3 LYS 97 HB3 LYS 97 -15.910 2.343 -10.599 760 HG2 LYS 97 HG2 LYS 97 -16.756 0.531 -8.992 761 HG3 LYS 97 HG3 LYS 97 -15.301 -0.386 -9.372 762 HD2 LYS 97 HD2 LYS 97 -14.989 0.807 -7.287 763 HD3 LYS 97 HD3 LYS 97 -13.891 1.430 -8.507 764 HE2 LYS 97 HE2 LYS 97 -14.760 3.266 -7.221 765 HE3 LYS 97 HE3 LYS 97 -15.360 3.392 -8.863 766 HZ1 LYS 97 HZ1 LYS 97 -17.091 3.805 -7.196 767 HZ2 LYS 97 HZ2 LYS 97 -17.497 2.522 -8.094 768 HZ3 LYS 97 HZ3 LYS 97 -16.919 2.311 -6.575 769 HA PRO 98 HA PRO 98 -15.642 -2.969 -13.676 770 HB2 PRO 98 HB2 PRO 98 -12.921 -2.129 -14.624 771 HB3 PRO 98 HB3 PRO 98 -14.205 -3.006 -15.503 772 HG2 PRO 98 HG2 PRO 98 -13.739 -0.385 -16.003 773 HG3 PRO 98 HG3 PRO 98 -15.423 -0.993 -15.881 774 HD2 PRO 98 HD2 PRO 98 -13.778 0.396 -13.743 775 HD3 PRO 98 HD3 PRO 98 -15.441 0.738 -14.304 776 H LYS 99 H LYS 99 -13.058 -1.333 -11.893 777 HA LYS 99 HA LYS 99 -12.372 -3.810 -10.394 778 HB2 LYS 99 HB2 LYS 99 -10.349 -1.942 -11.700 779 HB3 LYS 99 HB3 LYS 99 -9.961 -3.223 -10.552 780 HG2 LYS 99 HG2 LYS 99 -11.023 -4.879 -12.159 781 HG3 LYS 99 HG3 LYS 99 -11.093 -3.580 -13.353 782 HD2 LYS 99 HD2 LYS 99 -8.602 -4.700 -12.003 783 HD3 LYS 99 HD3 LYS 99 -9.099 -5.016 -13.657 784 HE2 LYS 99 HE2 LYS 99 -8.314 -2.282 -12.555 785 HE3 LYS 99 HE3 LYS 99 -7.241 -3.361 -13.424 786 HZ1 LYS 99 HZ1 LYS 99 -8.187 -1.705 -14.901 787 HZ2 LYS 99 HZ2 LYS 99 -8.675 -3.186 -15.361 788 HZ3 LYS 99 HZ3 LYS 99 -9.711 -2.187 -14.577 789 H VAL 100 H VAL 100 -11.328 -3.453 -8.407 790 HA VAL 100 HA VAL 100 -11.832 -0.776 -7.165 791 HB VAL 100 HB VAL 100 -13.444 -2.626 -6.660 792 HG11 VAL 100 HG11 VAL 100 -11.188 -3.780 -4.977 793 HG12 VAL 100 HG12 VAL 100 -12.872 -4.328 -5.031 794 HG13 VAL 100 HG13 VAL 100 -11.847 -4.511 -6.459 795 HG21 VAL 100 HG21 VAL 100 -12.069 -1.532 -4.189 796 HG22 VAL 100 HG22 VAL 100 -13.206 -0.627 -5.218 797 HG23 VAL 100 HG23 VAL 100 -13.744 -2.079 -4.361 798 H LEU 101 H LEU 101 -9.292 -2.775 -7.997 799 HA LEU 101 HA LEU 101 -7.667 -2.649 -5.637 800 HB2 LEU 101 HB2 LEU 101 -7.427 -4.277 -7.536 801 HB3 LEU 101 HB3 LEU 101 -6.853 -2.958 -8.547 802 HG LEU 101 HG LEU 101 -4.947 -2.639 -6.851 803 HD11 LEU 101 HD11 LEU 101 -5.967 -3.925 -4.952 804 HD12 LEU 101 HD12 LEU 101 -5.894 -5.396 -5.941 805 HD13 LEU 101 HD13 LEU 101 -4.399 -4.582 -5.441 806 HD21 LEU 101 HD21 LEU 101 -4.619 -3.741 -9.018 807 HD22 LEU 101 HD22 LEU 101 -3.659 -4.543 -7.765 808 HD23 LEU 101 HD23 LEU 101 -5.168 -5.288 -8.340 809 HA PRO 102 HA PRO 102 -6.733 1.699 -6.241 810 HB2 PRO 102 HB2 PRO 102 -5.346 2.273 -3.982 811 HB3 PRO 102 HB3 PRO 102 -7.084 1.855 -3.970 812 HG2 PRO 102 HG2 PRO 102 -4.728 0.021 -3.436 813 HG3 PRO 102 HG3 PRO 102 -6.216 0.225 -2.457 814 HD2 PRO 102 HD2 PRO 102 -5.916 -1.783 -4.296 815 HD3 PRO 102 HD3 PRO 102 -7.500 -1.012 -3.979 816 H PHE 103 H PHE 103 -5.073 3.178 -6.598 817 HA PHE 103 HA PHE 103 -2.254 2.382 -6.801 818 HB2 PHE 103 HB2 PHE 103 -2.170 3.413 -9.132 819 HB3 PHE 103 HB3 PHE 103 -2.866 1.813 -8.996 820 HD1 PHE 103 HD2 PHE 103 -3.836 5.448 -9.264 821 HD2 PHE 103 HD1 PHE 103 -5.031 1.339 -9.810 822 HE1 PHE 103 HE2 PHE 103 -5.934 6.193 -10.344 823 HE2 PHE 103 HE1 PHE 103 -7.116 2.094 -10.912 824 HZ PHE 103 HZ PHE 103 -7.581 4.519 -11.168 825 H HIS 104 H HIS 104 -0.850 4.321 -7.010 826 HA HIS 104 HA HIS 104 -1.807 6.262 -5.135 827 HB2 HIS 104 HB2 HIS 104 0.421 7.171 -5.203 828 HB3 HIS 104 HB3 HIS 104 0.475 5.417 -5.137 829 HD1 HIS 104 HD1 HIS 104 1.279 8.312 -7.528 830 HD2 HIS 104 HD2 HIS 104 1.649 4.143 -7.190 831 HE1 HIS 104 HE1 HIS 104 2.819 7.579 -9.406 832 H THR 105 H THR 105 -1.725 6.408 -8.625 833 HA THR 105 HA THR 105 -1.970 9.330 -8.650 834 HB THR 105 HB THR 105 -0.520 8.321 -10.219 835 HG1 THR 105 HG1 THR 105 -1.294 9.612 -11.841 836 HG21 THR 105 HG21 THR 105 -1.743 6.217 -10.798 837 HG22 THR 105 HG22 THR 105 -2.929 7.184 -11.706 838 HG23 THR 105 HG23 THR 105 -1.227 7.160 -12.199 839 H ILE 106 H ILE 106 -3.882 8.997 -7.257 840 HA ILE 106 HA ILE 106 -6.357 8.070 -8.324 841 HB ILE 106 HB ILE 106 -7.324 8.892 -6.227 842 HG12 ILE 106 HG12 ILE 106 -4.571 10.065 -5.605 843 HG13 ILE 106 HG13 ILE 106 -5.984 11.016 -6.058 844 HG21 ILE 106 HG21 ILE 106 -6.078 6.726 -6.389 845 HG22 ILE 106 HG22 ILE 106 -4.658 7.539 -5.701 846 HG23 ILE 106 HG23 ILE 106 -6.156 7.400 -4.761 847 HD11 ILE 106 HD11 ILE 106 -5.695 9.321 -3.547 848 HD12 ILE 106 HD12 ILE 106 -5.743 11.087 -3.666 849 HD13 ILE 106 HD13 ILE 106 -7.194 10.142 -4.053 850 H TYR 107 H TYR 107 -5.057 10.580 -9.671 851 HA TYR 107 HA TYR 107 -6.837 12.698 -8.779 852 HB2 TYR 107 HB2 TYR 107 -4.382 12.865 -10.525 853 HB3 TYR 107 HB3 TYR 107 -5.172 14.186 -9.667 854 HD1 TYR 107 HD2 TYR 107 -5.366 14.003 -7.082 855 HD2 TYR 107 HD1 TYR 107 -2.600 11.717 -9.474 856 HE1 TYR 107 HE2 TYR 107 -3.958 13.608 -5.072 857 HE2 TYR 107 HE1 TYR 107 -1.198 11.312 -7.451 858 HH TYR 107 HH TYR 107 -2.002 12.597 -4.286 859 H CYS 108 H CYS 108 -7.642 10.746 -11.178 860 HA CYS 108 HA CYS 108 -8.724 10.849 -13.159 861 HB2 CYS 108 HB2 CYS 108 -10.587 12.038 -13.176 862 HB3 CYS 108 HB3 CYS 108 -10.101 12.525 -11.558 863 HG CYS 108 HG CYS 108 -11.125 14.518 -13.063 864 H TYR 109 H TYR 109 -9.068 11.890 -15.329 865 HA TYR 109 HA TYR 109 -6.417 12.123 -16.331 866 HB2 TYR 109 HB2 TYR 109 -7.374 11.995 -18.499 867 HB3 TYR 109 HB3 TYR 109 -8.200 10.876 -17.437 868 HD1 TYR 109 HD2 TYR 109 -8.459 14.061 -19.305 869 HD2 TYR 109 HD1 TYR 109 -10.599 11.136 -16.963 870 HE1 TYR 109 HE2 TYR 109 -10.622 15.064 -20.022 871 HE2 TYR 109 HE1 TYR 109 -12.754 12.142 -17.679 872 HH TYR 109 HH TYR 109 -13.738 13.815 -18.988 873 H ASN 110 H ASN 110 -8.595 14.693 -15.453 874 HA ASN 110 HA ASN 110 -7.419 16.781 -17.054 875 HB2 ASN 110 HB2 ASN 110 -9.614 16.835 -15.675 876 HB3 ASN 110 HB3 ASN 110 -8.593 17.091 -14.264 877 HD21 ASN 110 HD22 ASN 110 -9.950 19.169 -14.180 878 HD22 ASN 110 HD21 ASN 110 -9.376 20.521 -15.138 879 H CYS 111 H CYS 111 -6.479 15.216 -14.041 880 HA CYS 111 HA CYS 111 -4.128 16.967 -13.616 881 HB2 CYS 111 HB2 CYS 111 -5.258 14.685 -11.988 882 HB3 CYS 111 HB3 CYS 111 -4.036 15.829 -11.449 883 HG CYS 111 HG CYS 111 -5.547 17.989 -11.577 884 H GLY 112 H GLY 112 -4.755 14.204 -15.398 885 HA2 GLY 112 HA2 GLY 112 -3.262 12.802 -16.515 886 HA3 GLY 112 HA3 GLY 112 -1.953 13.304 -15.449 887 H GLY 113 H GLY 113 -4.722 12.309 -13.698 888 HA2 GLY 113 HA2 GLY 113 -3.619 9.577 -13.127 889 HA3 GLY 113 HA3 GLY 113 -4.512 10.578 -11.991 890 H LYS 114 H LYS 114 -5.834 8.670 -11.759 891 HA LYS 114 HA LYS 114 -8.248 8.722 -13.506 892 HB2 LYS 114 HB2 LYS 114 -6.683 6.257 -12.664 893 HB3 LYS 114 HB3 LYS 114 -8.382 6.194 -13.149 894 HG2 LYS 114 HG2 LYS 114 -7.758 7.242 -15.338 895 HG3 LYS 114 HG3 LYS 114 -6.048 7.137 -14.861 896 HD2 LYS 114 HD2 LYS 114 -6.309 4.670 -14.576 897 HD3 LYS 114 HD3 LYS 114 -7.967 4.781 -15.171 898 HE2 LYS 114 HE2 LYS 114 -5.470 5.615 -16.711 899 HE3 LYS 114 HE3 LYS 114 -6.277 4.066 -16.883 900 HZ1 LYS 114 HZ1 LYS 114 -6.987 5.593 -18.602 901 HZ2 LYS 114 HZ2 LYS 114 -8.261 5.239 -17.656 902 HZ3 LYS 114 HZ3 LYS 114 -7.511 6.687 -17.518 903 H GLY 115 H GLY 115 -10.206 8.209 -12.416 904 HA2 GLY 115 HA2 GLY 115 -11.588 7.641 -10.616 905 HA3 GLY 115 HA3 GLY 115 -10.191 7.496 -9.571 906 H HIS 116 H HIS 116 -11.189 8.522 -7.916 907 HA HIS 116 HA HIS 116 -12.271 9.932 -6.617 908 HB2 HIS 116 HB2 HIS 116 -11.127 11.704 -5.899 909 HB3 HIS 116 HB3 HIS 116 -9.879 10.820 -6.731 910 HD1 HIS 116 HD1 HIS 116 -11.054 14.242 -6.319 911 HD2 HIS 116 HD2 HIS 116 -9.354 11.924 -9.382 912 HE1 HIS 116 HE1 HIS 116 -9.995 15.869 -7.947 913 H PHE 117 H PHE 117 -12.895 12.686 -6.716 914 HA PHE 117 HA PHE 117 -15.417 12.747 -8.112 915 HB2 PHE 117 HB2 PHE 117 -13.825 14.875 -6.647 916 HB3 PHE 117 HB3 PHE 117 -15.456 15.103 -7.248 917 HD1 PHE 117 HD2 PHE 117 -17.348 13.637 -6.397 918 HD2 PHE 117 HD1 PHE 117 -13.501 13.882 -4.467 919 HE1 PHE 117 HE2 PHE 117 -18.357 12.837 -4.278 920 HE2 PHE 117 HE1 PHE 117 -14.516 13.077 -2.355 921 HZ PHE 117 HZ PHE 117 -16.947 12.585 -2.244 922 H GLY 118 H GLY 118 -13.329 12.258 -9.991 923 HA2 GLY 118 HA2 GLY 118 -12.417 14.301 -11.652 924 HA3 GLY 118 HA3 GLY 118 -12.933 12.695 -12.169 925 H ASP 119 H ASP 119 -15.692 12.974 -11.388 926 HA ASP 119 HA ASP 119 -17.061 14.027 -13.590 927 HB2 ASP 119 HB2 ASP 119 -17.912 12.436 -11.877 928 HB3 ASP 119 HB3 ASP 119 -17.923 13.728 -10.688 929 H ASP 120 H ASP 120 -16.215 15.686 -10.547 930 HA ASP 120 HA ASP 120 -17.424 18.258 -11.447 931 HB2 ASP 120 HB2 ASP 120 -17.995 17.399 -9.207 932 HB3 ASP 120 HB3 ASP 120 -16.293 17.350 -8.776 933 H CYS 121 H CYS 121 -14.341 16.727 -10.632 934 HA CYS 121 HA CYS 121 -12.733 19.077 -10.670 935 HB2 CYS 121 HB2 CYS 121 -12.321 16.896 -9.465 936 HB3 CYS 121 HB3 CYS 121 -11.859 16.182 -11.018 937 HG CYS 121 HG CYS 121 -10.094 18.111 -11.522 938 H LYS 122 H LYS 122 -14.107 17.451 -13.322 939 HA LYS 122 HA LYS 122 -12.142 18.302 -15.308 940 HB2 LYS 122 HB2 LYS 122 -13.650 17.423 -16.942 941 HB3 LYS 122 HB3 LYS 122 -13.503 16.308 -15.608 942 HG2 LYS 122 HG2 LYS 122 -15.756 16.180 -15.903 943 HG3 LYS 122 HG3 LYS 122 -15.708 17.462 -14.705 944 HD2 LYS 122 HD2 LYS 122 -17.297 18.048 -16.395 945 HD3 LYS 122 HD3 LYS 122 -15.926 19.146 -16.588 946 HE2 LYS 122 HE2 LYS 122 -15.068 17.709 -18.442 947 HE3 LYS 122 HE3 LYS 122 -16.439 16.627 -18.227 948 HZ1 LYS 122 HZ1 LYS 122 -17.910 18.472 -18.822 949 HZ2 LYS 122 HZ2 LYS 122 -16.636 19.481 -19.015 950 HZ3 LYS 122 HZ3 LYS 122 -16.833 18.210 -20.015 951 H GLU 123 H GLU 123 -14.365 20.087 -13.517 952 HA GLU 123 HA GLU 123 -14.452 22.258 -15.572 953 HB2 GLU 123 HB2 GLU 123 -16.199 21.917 -13.110 954 HB3 GLU 123 HB3 GLU 123 -16.236 23.262 -14.251 955 HG2 GLU 123 HG2 GLU 123 -16.765 21.584 -16.080 956 HG3 GLU 123 HG3 GLU 123 -16.970 20.373 -14.818 957 H LYS 124 H LYS 124 -13.769 24.296 -15.093 958 HA LYS 124 HA LYS 124 -12.839 25.098 -12.448 959 HB2 LYS 124 HB2 LYS 124 -10.845 23.943 -13.420 960 HB3 LYS 124 HB3 LYS 124 -10.923 24.994 -14.823 961 HG2 LYS 124 HG2 LYS 124 -9.176 25.687 -13.252 962 HG3 LYS 124 HG3 LYS 124 -10.371 26.947 -13.498 963 HD2 LYS 124 HD2 LYS 124 -9.654 26.804 -11.157 964 HD3 LYS 124 HD3 LYS 124 -11.382 26.491 -11.311 965 HE2 LYS 124 HE2 LYS 124 -10.949 24.048 -11.170 966 HE3 LYS 124 HE3 LYS 124 -9.221 24.359 -11.046 967 HZ1 LYS 124 HZ1 LYS 124 -11.255 25.250 -9.079 968 HZ2 LYS 124 HZ2 LYS 124 -10.213 24.015 -8.866 969 HZ3 LYS 124 HZ3 LYS 124 -9.650 25.541 -8.960
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