NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
490929 | 2l0y | 17067 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 1 H ASN 1 -9.899 5.445 -17.518 2 HA ASN 1 HA ASN 1 -7.322 4.087 -17.194 3 HB2 ASN 1 HB2 ASN 1 -7.134 6.610 -17.262 4 HB3 ASN 1 HB3 ASN 1 -8.108 6.680 -15.813 5 HD21 ASN 1 HD21 ASN 1 -5.752 7.819 -15.456 6 HD22 ASN 1 HD22 ASN 1 -4.592 6.756 -14.678 7 H GLY 2 H GLY 2 -10.006 5.439 -15.170 8 HA2 GLY 2 HA2 GLY 2 -11.223 4.310 -13.502 9 HA3 GLY 2 HA3 GLY 2 -10.179 2.898 -13.648 10 H ASN 3 H ASN 3 -8.815 6.061 -13.239 11 HA ASN 3 HA ASN 3 -7.231 5.278 -10.996 12 HB2 ASN 3 HB2 ASN 3 -7.072 7.089 -13.096 13 HB3 ASN 3 HB3 ASN 3 -7.333 8.155 -11.728 14 HD21 ASN 3 HD21 ASN 3 -5.499 8.640 -10.564 15 HD22 ASN 3 HD22 ASN 3 -4.068 7.613 -10.618 16 H ILE 4 H ILE 4 -6.838 6.763 -9.151 17 HA ILE 4 HA ILE 4 -9.172 6.410 -7.433 18 HB ILE 4 HB ILE 4 -6.259 7.116 -7.073 19 HG12 ILE 4 HG12 ILE 4 -6.207 5.169 -5.599 20 HG13 ILE 4 HG13 ILE 4 -7.888 4.821 -5.877 21 HG21 ILE 4 HG21 ILE 4 -6.562 7.048 -4.627 22 HG22 ILE 4 HG22 ILE 4 -7.181 8.490 -5.384 23 HG23 ILE 4 HG23 ILE 4 -8.313 7.200 -4.850 24 HD11 ILE 4 HD11 ILE 4 -5.639 4.864 -7.967 25 HD12 ILE 4 HD12 ILE 4 -6.217 3.413 -7.145 26 HD13 ILE 4 HD13 ILE 4 -7.308 4.272 -8.254 27 H ASN 5 H ASN 5 -7.408 9.202 -8.559 28 HA ASN 5 HA ASN 5 -7.666 11.440 -8.333 29 HB2 ASN 5 HB2 ASN 5 -10.050 10.925 -8.958 30 HB3 ASN 5 HB3 ASN 5 -10.457 11.096 -7.254 31 HD21 ASN 5 HD21 ASN 5 -8.973 12.850 -10.013 32 HD22 ASN 5 HD22 ASN 5 -9.344 14.443 -9.374 33 H TRP 6 H TRP 6 -6.104 11.859 -6.962 34 HA TRP 6 HA TRP 6 -6.040 10.555 -4.376 35 HB2 TRP 6 HB2 TRP 6 -3.948 12.280 -5.737 36 HB3 TRP 6 HB3 TRP 6 -3.677 11.198 -4.371 37 HD1 TRP 6 HD1 TRP 6 -3.533 11.259 -8.001 38 HE1 TRP 6 HE1 TRP 6 -3.421 8.911 -9.073 39 HE3 TRP 6 HE3 TRP 6 -4.339 8.552 -3.815 40 HZ2 TRP 6 HZ2 TRP 6 -3.141 6.184 -8.008 41 HZ3 TRP 6 HZ3 TRP 6 -4.149 6.085 -3.854 42 HH2 TRP 6 HH2 TRP 6 -3.568 4.884 -5.938 43 H ASN 7 H ASN 7 -7.341 13.451 -4.996 44 HA ASN 7 HA ASN 7 -6.517 14.998 -2.698 45 HB2 ASN 7 HB2 ASN 7 -7.525 15.828 -4.828 46 HB3 ASN 7 HB3 ASN 7 -9.062 15.106 -4.360 47 HD21 ASN 7 HD21 ASN 7 -6.498 17.375 -3.289 48 HD22 ASN 7 HD22 ASN 7 -7.617 18.506 -2.531 49 H SER 8 H SER 8 -8.515 12.205 -2.917 50 HA SER 8 HA SER 8 -10.461 12.500 -0.953 51 HB2 SER 8 HB2 SER 8 -8.806 10.055 -1.628 52 HB3 SER 8 HB3 SER 8 -10.267 10.029 -0.623 53 HG SER 8 HG SER 8 -11.478 10.713 -2.334 54 HA PRO 9 HA PRO 9 -8.039 13.381 2.643 55 HB2 PRO 9 HB2 PRO 9 -10.434 12.324 4.147 56 HB3 PRO 9 HB3 PRO 9 -9.492 13.828 4.434 57 HG2 PRO 9 HG2 PRO 9 -11.849 13.964 3.145 58 HG3 PRO 9 HG3 PRO 9 -10.431 14.872 2.524 59 HD2 PRO 9 HD2 PRO 9 -11.533 12.223 1.555 60 HD3 PRO 9 HD3 PRO 9 -11.000 13.655 0.621 61 H CYS 10 H CYS 10 -6.566 12.396 3.746 62 HA CYS 10 HA CYS 10 -5.276 10.981 4.938 63 HB2 CYS 10 HB2 CYS 10 -7.846 9.530 5.549 64 HB3 CYS 10 HB3 CYS 10 -6.270 9.071 6.182 65 H LEU 11 H LEU 11 -7.310 9.051 2.620 66 HA LEU 11 HA LEU 11 -5.203 7.339 1.761 67 HB2 LEU 11 HB2 LEU 11 -7.550 7.192 1.083 68 HB3 LEU 11 HB3 LEU 11 -7.428 8.692 0.160 69 HG LEU 11 HG LEU 11 -6.177 5.955 -0.336 70 HD11 LEU 11 HD11 LEU 11 -8.607 6.148 -0.763 71 HD12 LEU 11 HD12 LEU 11 -7.686 5.887 -2.250 72 HD13 LEU 11 HD13 LEU 11 -8.301 7.511 -1.866 73 HD21 LEU 11 HD21 LEU 11 -5.700 6.978 -2.630 74 HD22 LEU 11 HD22 LEU 11 -4.630 7.527 -1.357 75 HD23 LEU 11 HD23 LEU 11 -5.969 8.575 -1.915 76 H GLY 12 H GLY 12 -5.951 10.720 0.662 77 HA2 GLY 12 HA2 GLY 12 -3.734 11.177 -0.993 78 HA3 GLY 12 HA3 GLY 12 -4.522 12.402 0.003 79 H GLY 13 H GLY 13 -3.886 11.419 2.558 80 HA2 GLY 13 HA2 GLY 13 -1.198 12.227 3.080 81 HA3 GLY 13 HA3 GLY 13 -2.283 11.408 4.205 82 H MET 14 H MET 14 -2.414 8.980 2.290 83 HA MET 14 HA MET 14 0.298 7.832 2.719 84 HB2 MET 14 HB2 MET 14 -2.156 6.458 1.653 85 HB3 MET 14 HB3 MET 14 -0.588 5.760 2.123 86 HG2 MET 14 HG2 MET 14 -1.113 6.787 4.465 87 HG3 MET 14 HG3 MET 14 -2.767 6.824 3.837 88 HE1 MET 14 HE1 MET 14 0.199 4.710 5.137 89 HE2 MET 14 HE2 MET 14 -0.315 3.034 4.857 90 HE3 MET 14 HE3 MET 14 0.179 4.044 3.485 91 H ALA 15 H ALA 15 -1.838 8.656 -0.020 92 HA ALA 15 HA ALA 15 0.099 8.039 -2.026 93 HB1 ALA 15 HB1 ALA 15 -2.376 9.805 -2.189 94 HB2 ALA 15 HB2 ALA 15 -1.454 9.209 -3.567 95 HB3 ALA 15 HB3 ALA 15 -2.265 8.056 -2.508 96 H SER 16 H SER 16 1.240 9.578 0.038 97 HA SER 16 HA SER 16 2.542 11.865 -1.365 98 HB2 SER 16 HB2 SER 16 1.253 12.054 1.402 99 HB3 SER 16 HB3 SER 16 2.307 13.277 0.682 100 HG SER 16 HG SER 16 -0.301 12.499 -0.059 101 H GLY 17 H GLY 17 4.445 12.687 0.004 102 HA2 GLY 17 HA2 GLY 17 6.258 12.310 1.519 103 HA3 GLY 17 HA3 GLY 17 5.615 10.741 1.896 104 HA PRO 18 HA PRO 18 9.601 9.877 -0.655 105 HB2 PRO 18 HB2 PRO 18 9.749 7.606 0.999 106 HB3 PRO 18 HB3 PRO 18 10.666 9.121 1.149 107 HG2 PRO 18 HG2 PRO 18 8.062 8.417 2.571 108 HG3 PRO 18 HG3 PRO 18 9.594 9.064 3.232 109 HD2 PRO 18 HD2 PRO 18 7.632 10.716 2.731 110 HD3 PRO 18 HD3 PRO 18 9.228 11.170 2.125 111 H CYS 19 H CYS 19 6.819 7.995 0.572 112 HA CYS 19 HA CYS 19 7.307 5.950 -1.531 113 HB2 CYS 19 HB2 CYS 19 5.575 5.665 0.902 114 HB3 CYS 19 HB3 CYS 19 6.260 4.392 -0.083 115 H GLY 20 H GLY 20 5.629 8.582 -1.782 116 HA2 GLY 20 HA2 GLY 20 2.872 7.976 -1.560 117 HA3 GLY 20 HA3 GLY 20 3.566 9.256 -2.580 118 H GLU 21 H GLU 21 5.049 7.824 -4.359 119 HA GLU 21 HA GLU 21 3.267 6.855 -6.354 120 HB2 GLU 21 HB2 GLU 21 5.243 6.419 -7.491 121 HB3 GLU 21 HB3 GLU 21 5.655 7.794 -6.497 122 HG2 GLU 21 HG2 GLU 21 6.645 5.976 -4.868 123 HG3 GLU 21 HG3 GLU 21 6.481 4.874 -6.227 124 H GLN 22 H GLN 22 5.007 5.002 -3.792 125 HA GLN 22 HA GLN 22 4.317 2.447 -4.883 126 HB2 GLN 22 HB2 GLN 22 4.608 2.806 -1.904 127 HB3 GLN 22 HB3 GLN 22 5.103 1.488 -2.947 128 HG2 GLN 22 HG2 GLN 22 6.428 4.187 -2.614 129 HG3 GLN 22 HG3 GLN 22 6.970 2.669 -1.957 130 HE21 GLN 22 HE21 GLN 22 8.634 4.341 -3.350 131 HE22 GLN 22 HE22 GLN 22 9.028 3.610 -4.900 132 H PHE 23 H PHE 23 2.597 4.683 -2.639 133 HA PHE 23 HA PHE 23 0.308 2.984 -2.338 134 HB2 PHE 23 HB2 PHE 23 0.951 5.146 -1.006 135 HB3 PHE 23 HB3 PHE 23 0.186 5.996 -2.326 136 HD1 PHE 23 HD1 PHE 23 -2.230 5.593 -2.874 137 HD2 PHE 23 HD2 PHE 23 -0.405 4.078 0.713 138 HE1 PHE 23 HE1 PHE 23 -4.474 5.082 -1.920 139 HE2 PHE 23 HE2 PHE 23 -2.616 3.603 1.648 140 HZ PHE 23 HZ PHE 23 -4.672 4.016 0.278 141 H LYS 24 H LYS 24 0.978 5.662 -4.674 142 HA LYS 24 HA LYS 24 -1.369 5.531 -6.183 143 HB2 LYS 24 HB2 LYS 24 1.336 5.856 -7.454 144 HB3 LYS 24 HB3 LYS 24 -0.125 6.430 -8.071 145 HG2 LYS 24 HG2 LYS 24 1.203 7.566 -5.598 146 HG3 LYS 24 HG3 LYS 24 1.252 8.226 -7.223 147 HD2 LYS 24 HD2 LYS 24 -1.284 8.265 -7.108 148 HD3 LYS 24 HD3 LYS 24 -1.160 7.896 -5.406 149 HE2 LYS 24 HE2 LYS 24 -1.423 10.273 -5.603 150 HE3 LYS 24 HE3 LYS 24 0.261 9.996 -5.142 151 HZ1 LYS 24 HZ1 LYS 24 -0.132 11.636 -6.991 152 HZ2 LYS 24 HZ2 LYS 24 -0.622 10.430 -7.959 153 HZ3 LYS 24 HZ3 LYS 24 0.926 10.436 -7.402 154 H SER 25 H SER 25 1.575 3.716 -6.668 155 HA SER 25 HA SER 25 0.721 2.195 -8.919 156 HB2 SER 25 HB2 SER 25 3.027 2.833 -8.278 157 HB3 SER 25 HB3 SER 25 3.006 1.645 -6.974 158 HG SER 25 HG SER 25 3.865 1.037 -9.138 159 H ALA 26 H ALA 26 0.947 1.278 -5.441 160 HA ALA 26 HA ALA 26 -0.068 -1.371 -5.753 161 HB1 ALA 26 HB1 ALA 26 -0.401 -1.242 -3.299 162 HB2 ALA 26 HB2 ALA 26 1.182 -0.607 -3.764 163 HB3 ALA 26 HB3 ALA 26 -0.137 0.504 -3.344 164 H PHE 27 H PHE 27 -1.864 1.564 -4.592 165 HA PHE 27 HA PHE 27 -4.300 0.095 -4.576 166 HB2 PHE 27 HB2 PHE 27 -3.456 2.428 -3.403 167 HB3 PHE 27 HB3 PHE 27 -4.571 3.041 -4.614 168 HD1 PHE 27 HD1 PHE 27 -4.336 0.187 -2.149 169 HD2 PHE 27 HD2 PHE 27 -6.810 3.319 -3.787 170 HE1 PHE 27 HE1 PHE 27 -6.209 -0.505 -0.663 171 HE2 PHE 27 HE2 PHE 27 -8.654 2.652 -2.248 172 HZ PHE 27 HZ PHE 27 -8.372 0.704 -0.748 173 H SER 28 H SER 28 -2.988 2.273 -7.164 174 HA SER 28 HA SER 28 -5.253 1.851 -8.857 175 HB2 SER 28 HB2 SER 28 -3.896 2.516 -10.694 176 HB3 SER 28 HB3 SER 28 -3.599 3.576 -9.319 177 HG SER 28 HG SER 28 -1.679 2.686 -8.997 178 H CYS 29 H CYS 29 -2.186 -0.139 -8.682 179 HA CYS 29 HA CYS 29 -2.953 -2.048 -10.564 180 HB2 CYS 29 HB2 CYS 29 -0.755 -1.850 -9.406 181 HB3 CYS 29 HB3 CYS 29 -1.366 -2.643 -8.006 182 H PHE 30 H PHE 30 -3.841 -2.059 -7.088 183 HA PHE 30 HA PHE 30 -5.590 -4.307 -7.188 184 HB2 PHE 30 HB2 PHE 30 -5.021 -3.683 -5.043 185 HB3 PHE 30 HB3 PHE 30 -5.126 -1.967 -5.384 186 HD1 PHE 30 HD1 PHE 30 -7.540 -4.887 -5.415 187 HD2 PHE 30 HD2 PHE 30 -6.768 -0.792 -4.289 188 HE1 PHE 30 HE1 PHE 30 -9.877 -4.661 -4.603 189 HE2 PHE 30 HE2 PHE 30 -9.106 -0.568 -3.497 190 HZ PHE 30 HZ PHE 30 -10.670 -2.494 -3.673 191 H HIS 31 H HIS 31 -6.476 -0.797 -7.594 192 HA HIS 31 HA HIS 31 -9.265 -1.375 -7.937 193 HB2 HIS 31 HB2 HIS 31 -7.517 1.037 -8.379 194 HB3 HIS 31 HB3 HIS 31 -9.090 1.009 -9.147 195 HD1 HIS 31 HD1 HIS 31 -11.272 0.601 -7.400 196 HD2 HIS 31 HD2 HIS 31 -7.605 2.034 -5.930 197 HE1 HIS 31 HE1 HIS 31 -11.775 1.681 -5.164 198 H TYR 32 H TYR 32 -6.638 -1.251 -10.302 199 HA TYR 32 HA TYR 32 -8.286 -1.546 -12.639 200 HB2 TYR 32 HB2 TYR 32 -5.432 -2.434 -12.115 201 HB3 TYR 32 HB3 TYR 32 -6.194 -2.324 -13.689 202 HD1 TYR 32 HD1 TYR 32 -7.408 0.635 -12.226 203 HD2 TYR 32 HD2 TYR 32 -3.687 -1.164 -13.486 204 HE1 TYR 32 HE1 TYR 32 -6.451 2.877 -12.601 205 HE2 TYR 32 HE2 TYR 32 -2.713 1.100 -13.782 206 HH TYR 32 HH TYR 32 -4.606 4.086 -13.269 207 H SER 33 H SER 33 -7.411 -3.793 -10.140 208 HA SER 33 HA SER 33 -7.795 -6.206 -11.804 209 HB2 SER 33 HB2 SER 33 -5.900 -5.803 -10.052 210 HB3 SER 33 HB3 SER 33 -7.119 -6.182 -8.850 211 HG SER 33 HG SER 33 -5.860 -7.956 -9.630 212 H THR 34 H THR 34 -8.962 -5.225 -8.632 213 HA THR 34 HA THR 34 -10.604 -5.935 -7.262 214 HB THR 34 HB THR 34 -12.929 -5.660 -7.904 215 HG1 THR 34 HG1 THR 34 -11.996 -4.880 -10.452 216 HG21 THR 34 HG21 THR 34 -12.817 -3.271 -8.434 217 HG22 THR 34 HG22 THR 34 -11.092 -3.424 -8.831 218 HG23 THR 34 HG23 THR 34 -11.656 -3.729 -7.177 219 H GLU 35 H GLU 35 -9.229 -8.088 -8.355 220 HA GLU 35 HA GLU 35 -10.770 -10.350 -9.033 221 HB2 GLU 35 HB2 GLU 35 -8.083 -9.804 -7.861 222 HB3 GLU 35 HB3 GLU 35 -8.670 -11.421 -7.588 223 HG2 GLU 35 HG2 GLU 35 -8.538 -10.102 -10.344 224 HG3 GLU 35 HG3 GLU 35 -7.240 -11.077 -9.653 225 H GLU 36 H GLU 36 -9.677 -9.603 -5.708 226 HA GLU 36 HA GLU 36 -11.940 -10.916 -4.428 227 HB2 GLU 36 HB2 GLU 36 -10.650 -12.863 -5.437 228 HB3 GLU 36 HB3 GLU 36 -9.270 -12.415 -4.448 229 HG2 GLU 36 HG2 GLU 36 -10.603 -12.828 -2.388 230 HG3 GLU 36 HG3 GLU 36 -12.023 -13.168 -3.375 231 H ILE 37 H ILE 37 -8.544 -10.104 -4.175 232 HA ILE 37 HA ILE 37 -8.834 -9.039 -1.389 233 HB ILE 37 HB ILE 37 -6.739 -10.905 -2.540 234 HG12 ILE 37 HG12 ILE 37 -8.539 -10.998 -0.095 235 HG13 ILE 37 HG13 ILE 37 -8.670 -11.929 -1.596 236 HG21 ILE 37 HG21 ILE 37 -5.413 -9.160 -1.456 237 HG22 ILE 37 HG22 ILE 37 -6.386 -9.325 0.030 238 HG23 ILE 37 HG23 ILE 37 -5.340 -10.639 -0.547 239 HD11 ILE 37 HD11 ILE 37 -7.796 -13.365 0.116 240 HD12 ILE 37 HD12 ILE 37 -6.517 -13.062 -1.072 241 HD13 ILE 37 HD13 ILE 37 -6.506 -12.232 0.506 242 H LYS 38 H LYS 38 -7.591 -7.166 -0.906 243 HA LYS 38 HA LYS 38 -6.816 -5.289 -2.831 244 HB2 LYS 38 HB2 LYS 38 -5.452 -5.752 -0.137 245 HB3 LYS 38 HB3 LYS 38 -5.321 -4.312 -1.124 246 HG2 LYS 38 HG2 LYS 38 -7.643 -5.223 0.563 247 HG3 LYS 38 HG3 LYS 38 -6.663 -3.793 0.691 248 HD2 LYS 38 HD2 LYS 38 -8.437 -2.761 -0.232 249 HD3 LYS 38 HD3 LYS 38 -7.687 -3.264 -1.738 250 HE2 LYS 38 HE2 LYS 38 -10.045 -3.773 -1.830 251 HE3 LYS 38 HE3 LYS 38 -9.172 -5.306 -1.741 252 HZ1 LYS 38 HZ1 LYS 38 -9.748 -5.476 0.564 253 HZ2 LYS 38 HZ2 LYS 38 -11.096 -5.204 -0.282 254 HZ3 LYS 38 HZ3 LYS 38 -10.429 -3.956 0.596 255 H GLY 39 H GLY 39 -5.654 -6.035 -4.605 256 HA2 GLY 39 HA2 GLY 39 -3.693 -6.170 -5.774 257 HA3 GLY 39 HA3 GLY 39 -2.787 -6.014 -4.258 258 H SER 40 H SER 40 -5.055 -8.684 -4.729 259 HA SER 40 HA SER 40 -3.383 -10.801 -4.158 260 HB2 SER 40 HB2 SER 40 -5.046 -12.201 -5.290 261 HB3 SER 40 HB3 SER 40 -5.828 -10.877 -4.434 262 HG SER 40 HG SER 40 -5.563 -11.334 -7.163 263 H ASP 41 H ASP 41 -3.543 -9.201 -7.224 264 HA ASP 41 HA ASP 41 -1.523 -10.982 -8.524 265 HB2 ASP 41 HB2 ASP 41 -2.380 -10.156 -10.634 266 HB3 ASP 41 HB3 ASP 41 -3.702 -10.758 -9.649 267 H CYS 42 H CYS 42 -1.034 -8.578 -6.629 268 HA CYS 42 HA CYS 42 0.594 -6.786 -8.395 269 HB2 CYS 42 HB2 CYS 42 -1.650 -6.012 -6.502 270 HB3 CYS 42 HB3 CYS 42 -0.514 -4.853 -7.156 271 H VAL 43 H VAL 43 1.066 -8.834 -6.036 272 HA VAL 43 HA VAL 43 1.152 -7.323 -3.677 273 HB VAL 43 HB VAL 43 2.028 -9.123 -2.554 274 HG11 VAL 43 HG11 VAL 43 0.495 -10.394 -4.836 275 HG12 VAL 43 HG12 VAL 43 0.685 -11.009 -3.183 276 HG13 VAL 43 HG13 VAL 43 -0.210 -9.513 -3.457 277 HG21 VAL 43 HG21 VAL 43 3.103 -11.107 -3.545 278 HG22 VAL 43 HG22 VAL 43 3.094 -10.314 -5.136 279 HG23 VAL 43 HG23 VAL 43 4.060 -9.655 -3.789 280 H ASP 44 H ASP 44 3.689 -7.719 -6.048 281 HA ASP 44 HA ASP 44 5.927 -6.824 -4.594 282 HB2 ASP 44 HB2 ASP 44 5.878 -7.825 -6.876 283 HB3 ASP 44 HB3 ASP 44 5.207 -6.314 -7.500 284 H GLN 45 H GLN 45 3.336 -4.808 -6.066 285 HA GLN 45 HA GLN 45 4.603 -2.247 -5.635 286 HB2 GLN 45 HB2 GLN 45 1.715 -3.087 -6.009 287 HB3 GLN 45 HB3 GLN 45 2.233 -1.425 -5.727 288 HG2 GLN 45 HG2 GLN 45 1.916 -1.774 -8.068 289 HG3 GLN 45 HG3 GLN 45 3.573 -1.379 -7.715 290 HE21 GLN 45 HE21 GLN 45 1.398 -4.062 -8.667 291 HE22 GLN 45 HE22 GLN 45 2.699 -5.041 -9.332 292 H PHE 46 H PHE 46 2.202 -4.125 -3.724 293 HA PHE 46 HA PHE 46 2.087 -2.289 -1.500 294 HB2 PHE 46 HB2 PHE 46 1.453 -5.240 -1.762 295 HB3 PHE 46 HB3 PHE 46 1.130 -4.303 -0.318 296 HD1 PHE 46 HD1 PHE 46 0.091 -4.629 -3.912 297 HD2 PHE 46 HD2 PHE 46 -0.740 -2.866 -0.064 298 HE1 PHE 46 HE1 PHE 46 -2.114 -3.805 -4.748 299 HE2 PHE 46 HE2 PHE 46 -2.948 -2.090 -0.898 300 HZ PHE 46 HZ PHE 46 -3.624 -2.554 -3.242 301 H ARG 47 H ARG 47 4.019 -5.233 -2.114 302 HA ARG 47 HA ARG 47 5.494 -5.248 0.266 303 HB2 ARG 47 HB2 ARG 47 5.455 -7.049 -1.456 304 HB3 ARG 47 HB3 ARG 47 6.514 -6.059 -2.480 305 HG2 ARG 47 HG2 ARG 47 8.243 -6.081 -0.688 306 HG3 ARG 47 HG3 ARG 47 7.152 -7.040 0.339 307 HD2 ARG 47 HD2 ARG 47 7.174 -8.847 -1.372 308 HD3 ARG 47 HD3 ARG 47 8.286 -7.884 -2.355 309 HE ARG 47 HE ARG 47 8.916 -8.793 0.432 310 HH11 ARG 47 HH11 ARG 47 9.969 -8.476 -2.966 311 HH12 ARG 47 HH12 ARG 47 11.579 -9.067 -2.620 312 HH21 ARG 47 HH21 ARG 47 11.005 -9.538 0.822 313 HH22 ARG 47 HH22 ARG 47 12.161 -9.668 -0.484 314 H ALA 48 H ALA 48 6.250 -3.487 -2.796 315 HA ALA 48 HA ALA 48 8.537 -2.126 -1.842 316 HB1 ALA 48 HB1 ALA 48 6.480 -1.225 -3.858 317 HB2 ALA 48 HB2 ALA 48 8.108 -0.528 -3.591 318 HB3 ALA 48 HB3 ALA 48 7.935 -2.206 -4.167 319 H MET 49 H MET 49 5.049 -1.212 -1.560 320 HA MET 49 HA MET 49 5.506 1.237 -0.237 321 HB2 MET 49 HB2 MET 49 3.369 0.491 -1.271 322 HB3 MET 49 HB3 MET 49 3.116 -0.609 0.094 323 HG2 MET 49 HG2 MET 49 2.971 1.227 1.645 324 HG3 MET 49 HG3 MET 49 3.571 2.368 0.442 325 HE1 MET 49 HE1 MET 49 -0.667 0.477 0.214 326 HE2 MET 49 HE2 MET 49 0.765 -0.418 -0.338 327 HE3 MET 49 HE3 MET 49 0.575 -0.012 1.387 328 H GLN 50 H GLN 50 5.019 -2.010 1.293 329 HA GLN 50 HA GLN 50 5.647 -1.179 3.931 330 HB2 GLN 50 HB2 GLN 50 5.792 -3.771 2.405 331 HB3 GLN 50 HB3 GLN 50 6.744 -3.674 3.877 332 HG2 GLN 50 HG2 GLN 50 3.766 -3.073 3.769 333 HG3 GLN 50 HG3 GLN 50 4.462 -4.639 4.183 334 HE21 GLN 50 HE21 GLN 50 6.170 -4.554 6.124 335 HE22 GLN 50 HE22 GLN 50 5.625 -3.524 7.441 336 H GLU 51 H GLU 51 7.905 -2.546 1.571 337 HA GLU 51 HA GLU 51 10.383 -2.247 2.845 338 HB2 GLU 51 HB2 GLU 51 10.070 -3.465 0.832 339 HB3 GLU 51 HB3 GLU 51 9.394 -2.107 -0.012 340 HG2 GLU 51 HG2 GLU 51 11.345 -1.116 -0.538 341 HG3 GLU 51 HG3 GLU 51 12.268 -1.930 0.763 342 H CYS 52 H CYS 52 8.577 0.261 1.169 343 HA CYS 52 HA CYS 52 10.679 2.269 1.516 344 HB2 CYS 52 HB2 CYS 52 9.168 2.164 -0.471 345 HB3 CYS 52 HB3 CYS 52 7.807 2.517 0.551 346 H MET 53 H MET 53 7.454 1.593 3.062 347 HA MET 53 HA MET 53 7.716 4.030 4.611 348 HB2 MET 53 HB2 MET 53 5.609 1.835 4.657 349 HB3 MET 53 HB3 MET 53 5.569 3.269 5.690 350 HG2 MET 53 HG2 MET 53 5.665 4.721 3.666 351 HG3 MET 53 HG3 MET 53 5.547 3.276 2.656 352 HE1 MET 53 HE1 MET 53 3.501 4.476 1.384 353 HE2 MET 53 HE2 MET 53 2.044 5.061 2.208 354 HE3 MET 53 HE3 MET 53 3.596 5.879 2.476 355 H GLN 54 H GLN 54 8.499 0.706 5.139 356 HA GLN 54 HA GLN 54 8.893 0.701 7.946 357 HB2 GLN 54 HB2 GLN 54 10.080 -1.344 7.496 358 HB3 GLN 54 HB3 GLN 54 8.742 -1.231 6.420 359 HG2 GLN 54 HG2 GLN 54 10.377 -2.051 5.062 360 HG3 GLN 54 HG3 GLN 54 10.437 -0.326 4.699 361 HE21 GLN 54 HE21 GLN 54 12.498 -0.635 3.835 362 HE22 GLN 54 HE22 GLN 54 13.906 -0.891 4.879 363 H LYS 55 H LYS 55 10.848 2.135 5.406 364 HA LYS 55 HA LYS 55 13.053 2.892 7.166 365 HB2 LYS 55 HB2 LYS 55 12.290 4.104 4.487 366 HB3 LYS 55 HB3 LYS 55 13.814 4.274 5.354 367 HG2 LYS 55 HG2 LYS 55 14.015 1.699 5.201 368 HG3 LYS 55 HG3 LYS 55 12.658 1.783 4.067 369 HD2 LYS 55 HD2 LYS 55 14.623 1.651 2.777 370 HD3 LYS 55 HD3 LYS 55 14.051 3.319 2.618 371 HE2 LYS 55 HE2 LYS 55 15.757 4.132 4.136 372 HE3 LYS 55 HE3 LYS 55 16.146 2.491 4.679 373 HZ1 LYS 55 HZ1 LYS 55 16.628 3.532 1.947 374 HZ2 LYS 55 HZ2 LYS 55 16.975 1.994 2.470 375 HZ3 LYS 55 HZ3 LYS 55 17.778 3.293 3.087 376 H TYR 56 H TYR 56 9.925 4.224 6.653 377 HA TYR 56 HA TYR 56 10.844 6.807 7.825 378 HB2 TYR 56 HB2 TYR 56 8.900 6.676 5.533 379 HB3 TYR 56 HB3 TYR 56 9.658 8.023 6.305 380 HD1 TYR 56 HD1 TYR 56 12.449 7.459 6.569 381 HD2 TYR 56 HD2 TYR 56 9.796 6.298 3.381 382 HE1 TYR 56 HE1 TYR 56 14.273 7.764 4.947 383 HE2 TYR 56 HE2 TYR 56 11.651 6.529 1.735 384 HH TYR 56 HH TYR 56 13.878 6.884 1.458 385 HA PRO 57 HA PRO 57 7.204 5.473 10.205 386 HB2 PRO 57 HB2 PRO 57 7.798 6.675 12.586 387 HB3 PRO 57 HB3 PRO 57 8.605 5.192 11.999 388 HG2 PRO 57 HG2 PRO 57 9.615 8.046 11.842 389 HG3 PRO 57 HG3 PRO 57 10.537 6.578 12.287 390 HD2 PRO 57 HD2 PRO 57 10.647 7.641 9.808 391 HD3 PRO 57 HD3 PRO 57 10.779 5.883 10.124 392 H ASP 58 H ASP 58 8.301 8.881 10.434 393 HA ASP 58 HA ASP 58 5.632 9.948 9.867 394 HB2 ASP 58 HB2 ASP 58 5.459 9.181 12.150 395 HB3 ASP 58 HB3 ASP 58 6.832 10.236 12.545 396 H LEU 59 H LEU 59 7.281 10.421 8.284 397 HA LEU 59 HA LEU 59 9.455 12.342 8.981 398 HB2 LEU 59 HB2 LEU 59 10.133 10.138 8.614 399 HB3 LEU 59 HB3 LEU 59 9.070 9.878 7.276 400 HG LEU 59 HG LEU 59 11.570 9.834 6.967 401 HD11 LEU 59 HD11 LEU 59 10.101 9.695 5.101 402 HD12 LEU 59 HD12 LEU 59 11.500 10.664 4.672 403 HD13 LEU 59 HD13 LEU 59 9.947 11.469 4.997 404 HD21 LEU 59 HD21 LEU 59 11.394 12.700 6.243 405 HD22 LEU 59 HD22 LEU 59 12.792 11.661 6.529 406 HD23 LEU 59 HD23 LEU 59 11.831 12.227 7.930 407 H TYR 60 H TYR 60 6.613 12.250 7.386 408 HA TYR 60 HA TYR 60 7.130 14.332 5.310 409 HB2 TYR 60 HB2 TYR 60 5.887 12.776 3.669 410 HB3 TYR 60 HB3 TYR 60 7.535 12.380 4.093 411 HD1 TYR 60 HD1 TYR 60 3.975 11.405 4.610 412 HD2 TYR 60 HD2 TYR 60 8.079 10.334 5.245 413 HE1 TYR 60 HE1 TYR 60 3.287 9.208 5.555 414 HE2 TYR 60 HE2 TYR 60 7.439 8.235 6.259 415 HH TYR 60 HH TYR 60 3.963 7.335 6.709 416 H GLU 61 H GLU 61 -17.063 15.725 5.977 417 HA GLU 61 HA GLU 61 -18.121 13.441 7.515 418 HB2 GLU 61 HB2 GLU 61 -17.347 11.999 5.707 419 HB3 GLU 61 HB3 GLU 61 -18.501 13.191 5.119 420 HG2 GLU 61 HG2 GLU 61 -16.649 14.544 4.214 421 HG3 GLU 61 HG3 GLU 61 -15.468 13.380 4.826 422 H HIS 62 H HIS 62 -16.606 11.839 8.145 423 HA HIS 62 HA HIS 62 -14.186 12.760 9.344 424 HB2 HIS 62 HB2 HIS 62 -15.727 10.830 10.026 425 HB3 HIS 62 HB3 HIS 62 -14.933 9.869 8.783 426 HD1 HIS 62 HD1 HIS 62 -12.904 8.492 9.809 427 HD2 HIS 62 HD2 HIS 62 -13.849 12.051 11.863 428 HE1 HIS 62 HE1 HIS 62 -11.366 8.589 11.822 429 H CYS 63 H CYS 63 -12.017 11.757 9.018 430 HA CYS 63 HA CYS 63 -11.230 11.758 6.165 431 HB2 CYS 63 HB2 CYS 63 -10.241 13.213 7.934 432 HB3 CYS 63 HB3 CYS 63 -9.538 11.795 8.687 433 H GLY 64 H GLY 64 -10.847 9.894 5.065 434 HA2 GLY 64 HA2 GLY 64 -9.810 7.889 4.562 435 HA3 GLY 64 HA3 GLY 64 -9.178 7.817 6.206 436 H HIS 65 H HIS 65 -12.283 7.356 4.431 437 HA HIS 65 HA HIS 65 -13.313 5.517 6.404 438 HB2 HIS 65 HB2 HIS 65 -14.256 6.165 3.600 439 HB3 HIS 65 HB3 HIS 65 -15.125 5.136 4.738 440 HD1 HIS 65 HD1 HIS 65 -14.021 8.801 4.387 441 HD2 HIS 65 HD2 HIS 65 -16.661 6.341 6.545 442 HE1 HIS 65 HE1 HIS 65 -15.555 10.365 5.696 443 H LEU 66 H LEU 66 -11.234 4.954 3.696 444 HA LEU 66 HA LEU 66 -11.466 1.990 4.060 445 HB2 LEU 66 HB2 LEU 66 -10.096 3.532 1.814 446 HB3 LEU 66 HB3 LEU 66 -10.292 1.797 1.922 447 HG LEU 66 HG LEU 66 -12.592 3.772 1.632 448 HD11 LEU 66 HD11 LEU 66 -11.121 3.729 -0.346 449 HD12 LEU 66 HD12 LEU 66 -12.676 2.964 -0.688 450 HD13 LEU 66 HD13 LEU 66 -11.243 1.951 -0.411 451 HD21 LEU 66 HD21 LEU 66 -13.902 1.756 1.046 452 HD22 LEU 66 HD22 LEU 66 -13.286 1.657 2.700 453 HD23 LEU 66 HD23 LEU 66 -12.500 0.727 1.406 454 H ILE 67 H ILE 67 -9.725 4.362 5.399 455 HA ILE 67 HA ILE 67 -7.036 3.734 4.764 456 HB ILE 67 HB ILE 67 -8.266 5.879 5.641 457 HG12 ILE 67 HG12 ILE 67 -6.162 6.072 4.647 458 HG13 ILE 67 HG13 ILE 67 -6.173 6.972 6.149 459 HG21 ILE 67 HG21 ILE 67 -8.720 5.043 7.932 460 HG22 ILE 67 HG22 ILE 67 -6.980 4.984 8.243 461 HG23 ILE 67 HG23 ILE 67 -7.767 6.532 7.910 462 HD11 ILE 67 HD11 ILE 67 -4.953 5.011 7.229 463 HD12 ILE 67 HD12 ILE 67 -4.727 4.386 5.579 464 HD13 ILE 67 HD13 ILE 67 -4.055 5.960 6.032 465 H GLU 68 H GLU 68 -8.926 2.670 7.672 466 HA GLU 68 HA GLU 68 -6.684 1.332 8.861 467 HB2 GLU 68 HB2 GLU 68 -9.679 0.823 9.024 468 HB3 GLU 68 HB3 GLU 68 -8.498 -0.244 9.768 469 HG2 GLU 68 HG2 GLU 68 -9.096 1.151 11.501 470 HG3 GLU 68 HG3 GLU 68 -7.529 1.755 10.982 471 H ALA 69 H ALA 69 -9.101 0.104 6.461 472 HA ALA 69 HA ALA 69 -7.759 -2.345 6.058 473 HB1 ALA 69 HB1 ALA 69 -9.587 -0.759 4.220 474 HB2 ALA 69 HB2 ALA 69 -9.066 -2.437 3.942 475 HB3 ALA 69 HB3 ALA 69 -10.038 -2.027 5.366 476 H HIS 70 H HIS 70 -7.015 0.859 4.476 477 HA HIS 70 HA HIS 70 -5.027 -0.127 2.722 478 HB2 HIS 70 HB2 HIS 70 -4.807 2.455 4.320 479 HB3 HIS 70 HB3 HIS 70 -3.944 2.042 2.863 480 HD1 HIS 70 HD1 HIS 70 -7.137 1.170 1.584 481 HD2 HIS 70 HD2 HIS 70 -5.358 4.765 2.875 482 HE1 HIS 70 HE1 HIS 70 -8.293 3.100 0.359 483 H LYS 71 H LYS 71 -4.528 1.103 6.053 484 HA LYS 71 HA LYS 71 -1.763 0.439 6.309 485 HB2 LYS 71 HB2 LYS 71 -3.963 0.858 8.377 486 HB3 LYS 71 HB3 LYS 71 -2.269 0.611 8.808 487 HG2 LYS 71 HG2 LYS 71 -1.586 2.629 7.631 488 HG3 LYS 71 HG3 LYS 71 -3.238 2.887 7.032 489 HD2 LYS 71 HD2 LYS 71 -4.071 3.116 9.332 490 HD3 LYS 71 HD3 LYS 71 -2.446 2.817 9.984 491 HE2 LYS 71 HE2 LYS 71 -1.599 4.873 8.987 492 HE3 LYS 71 HE3 LYS 71 -3.114 5.118 8.104 493 HZ1 LYS 71 HZ1 LYS 71 -2.725 5.318 11.030 494 HZ2 LYS 71 HZ2 LYS 71 -4.221 5.246 10.325 495 HZ3 LYS 71 HZ3 LYS 71 -3.223 6.491 9.992 496 H GLU 72 H GLU 72 -4.625 -1.371 7.476 497 HA GLU 72 HA GLU 72 -2.957 -3.477 8.523 498 HB2 GLU 72 HB2 GLU 72 -5.975 -3.274 8.205 499 HB3 GLU 72 HB3 GLU 72 -5.155 -4.607 8.985 500 HG2 GLU 72 HG2 GLU 72 -5.115 -1.706 9.894 501 HG3 GLU 72 HG3 GLU 72 -5.914 -3.061 10.686 502 H SER 73 H SER 73 -4.703 -3.221 5.372 503 HA SER 73 HA SER 73 -3.998 -5.918 4.657 504 HB2 SER 73 HB2 SER 73 -4.307 -3.608 2.721 505 HB3 SER 73 HB3 SER 73 -4.415 -5.347 2.380 506 HG SER 73 HG SER 73 -6.142 -3.645 3.783 507 H MET 74 H MET 74 -2.186 -2.753 4.043 508 HA MET 74 HA MET 74 -0.007 -4.165 2.938 509 HB2 MET 74 HB2 MET 74 1.297 -2.230 3.083 510 HB3 MET 74 HB3 MET 74 -0.347 -1.752 2.662 511 HG2 MET 74 HG2 MET 74 -0.747 -0.999 4.937 512 HG3 MET 74 HG3 MET 74 0.842 -1.557 5.464 513 HE1 MET 74 HE1 MET 74 2.975 -0.706 3.593 514 HE2 MET 74 HE2 MET 74 3.311 0.995 3.961 515 HE3 MET 74 HE3 MET 74 3.033 -0.150 5.283 516 H ARG 75 H ARG 75 -0.656 -3.575 6.416 517 HA ARG 75 HA ARG 75 1.756 -4.771 7.347 518 HB2 ARG 75 HB2 ARG 75 0.044 -3.428 8.640 519 HB3 ARG 75 HB3 ARG 75 -0.955 -4.888 8.718 520 HG2 ARG 75 HG2 ARG 75 1.025 -6.065 9.795 521 HG3 ARG 75 HG3 ARG 75 1.867 -4.514 9.821 522 HD2 ARG 75 HD2 ARG 75 -0.685 -5.289 11.285 523 HD3 ARG 75 HD3 ARG 75 0.884 -4.912 12.005 524 HE ARG 75 HE ARG 75 -1.199 -3.077 11.189 525 HH11 ARG 75 HH11 ARG 75 2.335 -3.250 11.654 526 HH12 ARG 75 HH12 ARG 75 2.489 -1.518 11.848 527 HH21 ARG 75 HH21 ARG 75 -0.953 -0.864 11.437 528 HH22 ARG 75 HH22 ARG 75 0.625 -0.166 11.728 529 H ALA 76 H ALA 76 -1.446 -6.274 6.701 530 HA ALA 76 HA ALA 76 -0.774 -8.913 7.475 531 HB1 ALA 76 HB1 ALA 76 -3.079 -8.113 7.177 532 HB2 ALA 76 HB2 ALA 76 -2.811 -7.917 5.428 533 HB3 ALA 76 HB3 ALA 76 -2.786 -9.528 6.162 534 H LEU 77 H LEU 77 -0.622 -7.426 4.235 535 HA LEU 77 HA LEU 77 0.660 -9.592 2.883 536 HB2 LEU 77 HB2 LEU 77 -0.615 -7.670 1.948 537 HB3 LEU 77 HB3 LEU 77 0.730 -6.598 2.293 538 HG LEU 77 HG LEU 77 1.135 -9.064 0.558 539 HD11 LEU 77 HD11 LEU 77 -0.104 -6.416 -0.270 540 HD12 LEU 77 HD12 LEU 77 -0.804 -8.032 -0.408 541 HD13 LEU 77 HD13 LEU 77 0.577 -7.599 -1.416 542 HD21 LEU 77 HD21 LEU 77 3.173 -7.784 1.121 543 HD22 LEU 77 HD22 LEU 77 2.405 -6.282 0.578 544 HD23 LEU 77 HD23 LEU 77 2.786 -7.572 -0.582 545 H GLY 78 H GLY 78 2.005 -6.785 4.612 546 HA2 GLY 78 HA2 GLY 78 4.768 -7.189 4.415 547 HA3 GLY 78 HA3 GLY 78 3.932 -6.548 5.829 548 H PHE 79 H PHE 79 2.484 -8.931 6.597 549 HA PHE 79 HA PHE 79 4.611 -10.670 7.653 550 HB2 PHE 79 HB2 PHE 79 1.601 -10.947 7.856 551 HB3 PHE 79 HB3 PHE 79 2.806 -11.803 8.799 552 HD1 PHE 79 HD1 PHE 79 4.442 -8.916 9.137 553 HD2 PHE 79 HD2 PHE 79 0.507 -10.465 10.007 554 HE1 PHE 79 HE1 PHE 79 4.180 -7.257 10.948 555 HE2 PHE 79 HE2 PHE 79 0.274 -8.824 11.850 556 HZ PHE 79 HZ PHE 79 2.119 -7.218 12.331 557 H LYS 80 H LYS 80 2.113 -10.948 5.138 558 HA LYS 80 HA LYS 80 2.372 -13.830 4.944 559 HB2 LYS 80 HB2 LYS 80 0.255 -12.654 4.720 560 HB3 LYS 80 HB3 LYS 80 0.799 -11.859 3.240 561 HG2 LYS 80 HG2 LYS 80 0.791 -13.866 2.003 562 HG3 LYS 80 HG3 LYS 80 0.794 -14.885 3.445 563 HD2 LYS 80 HD2 LYS 80 -1.554 -13.142 2.585 564 HD3 LYS 80 HD3 LYS 80 -1.364 -14.862 2.209 565 HE2 LYS 80 HE2 LYS 80 -1.199 -15.325 4.693 566 HE3 LYS 80 HE3 LYS 80 -1.625 -13.633 4.987 567 HZ1 LYS 80 HZ1 LYS 80 -3.563 -15.046 5.084 568 HZ2 LYS 80 HZ2 LYS 80 -3.312 -15.627 3.581 569 HZ3 LYS 80 HZ3 LYS 80 -3.721 -14.045 3.780 570 H ILE 81 H ILE 81 3.670 -11.213 2.936 571 HA ILE 81 HA ILE 81 4.812 -13.201 1.023 572 HB ILE 81 HB ILE 81 4.734 -10.176 0.830 573 HG12 ILE 81 HG12 ILE 81 2.456 -10.978 0.786 574 HG13 ILE 81 HG13 ILE 81 2.952 -10.435 -0.802 575 HG21 ILE 81 HG21 ILE 81 5.238 -10.620 -1.582 576 HG22 ILE 81 HG22 ILE 81 6.547 -11.075 -0.495 577 HG23 ILE 81 HG23 ILE 81 5.502 -12.331 -1.183 578 HD11 ILE 81 HD11 ILE 81 3.237 -12.812 -1.522 579 HD12 ILE 81 HD12 ILE 81 2.700 -13.340 0.090 580 HD13 ILE 81 HD13 ILE 81 1.596 -12.447 -0.964 Start of MODEL 2 1 H ASN 1 H ASN 1 -11.607 6.717 -16.549 2 HA ASN 1 HA ASN 1 -8.752 6.172 -16.845 3 HB2 ASN 1 HB2 ASN 1 -9.413 8.648 -16.447 4 HB3 ASN 1 HB3 ASN 1 -9.856 8.145 -14.820 5 HD21 ASN 1 HD21 ASN 1 -7.937 9.903 -14.562 6 HD22 ASN 1 HD22 ASN 1 -6.337 9.177 -14.469 7 H GLY 2 H GLY 2 -11.438 6.176 -14.377 8 HA2 GLY 2 HA2 GLY 2 -11.803 4.658 -12.673 9 HA3 GLY 2 HA3 GLY 2 -10.662 3.544 -13.438 10 H ASN 3 H ASN 3 -9.761 6.754 -12.573 11 HA ASN 3 HA ASN 3 -7.526 6.029 -10.919 12 HB2 ASN 3 HB2 ASN 3 -7.697 7.901 -12.526 13 HB3 ASN 3 HB3 ASN 3 -8.895 8.701 -11.498 14 HD21 ASN 3 HD21 ASN 3 -5.667 7.141 -11.025 15 HD22 ASN 3 HD22 ASN 3 -4.946 8.620 -10.492 16 H ILE 4 H ILE 4 -7.089 6.816 -8.800 17 HA ILE 4 HA ILE 4 -9.161 6.294 -6.850 18 HB ILE 4 HB ILE 4 -6.267 7.229 -6.791 19 HG12 ILE 4 HG12 ILE 4 -6.058 5.179 -5.310 20 HG13 ILE 4 HG13 ILE 4 -7.702 4.746 -5.731 21 HG21 ILE 4 HG21 ILE 4 -8.102 7.021 -4.397 22 HG22 ILE 4 HG22 ILE 4 -6.326 7.106 -4.337 23 HG23 ILE 4 HG23 ILE 4 -7.197 8.462 -4.953 24 HD11 ILE 4 HD11 ILE 4 -6.939 4.500 -8.114 25 HD12 ILE 4 HD12 ILE 4 -5.321 5.094 -7.621 26 HD13 ILE 4 HD13 ILE 4 -5.924 3.552 -7.013 27 H ASN 5 H ASN 5 -7.709 9.243 -8.053 28 HA ASN 5 HA ASN 5 -7.935 11.433 -7.557 29 HB2 ASN 5 HB2 ASN 5 -10.417 10.866 -7.889 30 HB3 ASN 5 HB3 ASN 5 -10.565 10.963 -6.140 31 HD21 ASN 5 HD21 ASN 5 -9.432 12.815 -8.970 32 HD22 ASN 5 HD22 ASN 5 -9.670 14.395 -8.246 33 H TRP 6 H TRP 6 -6.156 11.327 -6.397 34 HA TRP 6 HA TRP 6 -5.861 10.637 -3.593 35 HB2 TRP 6 HB2 TRP 6 -3.974 12.299 -5.278 36 HB3 TRP 6 HB3 TRP 6 -3.586 11.250 -3.915 37 HD1 TRP 6 HD1 TRP 6 -3.691 11.324 -7.566 38 HE1 TRP 6 HE1 TRP 6 -3.382 9.002 -8.624 39 HE3 TRP 6 HE3 TRP 6 -4.217 8.531 -3.369 40 HZ2 TRP 6 HZ2 TRP 6 -2.942 6.308 -7.624 41 HZ3 TRP 6 HZ3 TRP 6 -3.911 6.085 -3.462 42 HH2 TRP 6 HH2 TRP 6 -3.284 4.943 -5.563 43 H ASN 7 H ASN 7 -6.732 13.551 -5.280 44 HA ASN 7 HA ASN 7 -6.252 15.565 -3.391 45 HB2 ASN 7 HB2 ASN 7 -7.163 15.921 -5.674 46 HB3 ASN 7 HB3 ASN 7 -8.693 15.196 -5.154 47 HD21 ASN 7 HD21 ASN 7 -6.515 17.968 -4.732 48 HD22 ASN 7 HD22 ASN 7 -7.667 18.941 -3.814 49 H SER 8 H SER 8 -7.169 16.246 -1.611 50 HA SER 8 HA SER 8 -8.187 16.327 0.363 51 HB2 SER 8 HB2 SER 8 -10.588 15.001 -0.916 52 HB3 SER 8 HB3 SER 8 -10.461 16.020 0.533 53 HG SER 8 HG SER 8 -9.841 16.946 -2.075 54 HA PRO 9 HA PRO 9 -6.778 13.308 2.557 55 HB2 PRO 9 HB2 PRO 9 -8.766 13.449 4.796 56 HB3 PRO 9 HB3 PRO 9 -7.006 13.766 4.813 57 HG2 PRO 9 HG2 PRO 9 -8.749 15.824 4.821 58 HG3 PRO 9 HG3 PRO 9 -7.312 15.891 3.745 59 HD2 PRO 9 HD2 PRO 9 -10.134 14.999 3.034 60 HD3 PRO 9 HD3 PRO 9 -9.120 16.231 2.239 61 H CYS 10 H CYS 10 -9.088 11.876 1.040 62 HA CYS 10 HA CYS 10 -9.734 9.550 2.596 63 HB2 CYS 10 HB2 CYS 10 -10.076 10.395 -0.254 64 HB3 CYS 10 HB3 CYS 10 -10.125 8.679 0.096 65 H LEU 11 H LEU 11 -7.560 9.538 -0.318 66 HA LEU 11 HA LEU 11 -5.768 7.666 1.194 67 HB2 LEU 11 HB2 LEU 11 -5.895 8.148 -1.811 68 HB3 LEU 11 HB3 LEU 11 -4.697 7.177 -0.990 69 HG LEU 11 HG LEU 11 -6.650 5.790 -0.038 70 HD11 LEU 11 HD11 LEU 11 -8.538 7.083 -0.605 71 HD12 LEU 11 HD12 LEU 11 -8.556 5.824 -1.849 72 HD13 LEU 11 HD13 LEU 11 -7.899 7.440 -2.223 73 HD21 LEU 11 HD21 LEU 11 -6.441 5.446 -3.030 74 HD22 LEU 11 HD22 LEU 11 -6.706 4.250 -1.770 75 HD23 LEU 11 HD23 LEU 11 -5.122 4.977 -1.964 76 H GLY 12 H GLY 12 -6.010 10.926 0.423 77 HA2 GLY 12 HA2 GLY 12 -3.801 11.690 -0.987 78 HA3 GLY 12 HA3 GLY 12 -4.526 12.686 0.275 79 H GLY 13 H GLY 13 -3.764 11.387 2.590 80 HA2 GLY 13 HA2 GLY 13 -0.998 12.097 2.960 81 HA3 GLY 13 HA3 GLY 13 -2.056 11.296 4.121 82 H MET 14 H MET 14 -2.590 8.882 2.674 83 HA MET 14 HA MET 14 -0.189 7.327 2.976 84 HB2 MET 14 HB2 MET 14 -2.665 6.627 3.139 85 HB3 MET 14 HB3 MET 14 -2.606 6.494 1.396 86 HG2 MET 14 HG2 MET 14 -2.191 4.345 2.348 87 HG3 MET 14 HG3 MET 14 -0.649 4.901 1.691 88 HE1 MET 14 HE1 MET 14 0.344 2.627 4.728 89 HE2 MET 14 HE2 MET 14 -1.100 2.409 3.713 90 HE3 MET 14 HE3 MET 14 0.443 2.885 2.972 91 H ALA 15 H ALA 15 -1.827 8.651 0.166 92 HA ALA 15 HA ALA 15 0.246 7.929 -1.731 93 HB1 ALA 15 HB1 ALA 15 -2.478 9.221 -1.813 94 HB2 ALA 15 HB2 ALA 15 -1.388 9.557 -3.155 95 HB3 ALA 15 HB3 ALA 15 -1.772 7.884 -2.734 96 H SER 16 H SER 16 0.397 10.285 0.564 97 HA SER 16 HA SER 16 2.210 12.079 -0.999 98 HB2 SER 16 HB2 SER 16 1.291 12.208 1.903 99 HB3 SER 16 HB3 SER 16 2.317 13.398 1.094 100 HG SER 16 HG SER 16 -0.324 12.690 0.324 101 H GLY 17 H GLY 17 4.342 12.664 0.154 102 HA2 GLY 17 HA2 GLY 17 6.025 12.141 1.855 103 HA3 GLY 17 HA3 GLY 17 5.417 10.559 1.985 104 HA PRO 18 HA PRO 18 9.615 10.246 -0.330 105 HB2 PRO 18 HB2 PRO 18 9.916 8.037 1.369 106 HB3 PRO 18 HB3 PRO 18 10.707 9.627 1.460 107 HG2 PRO 18 HG2 PRO 18 8.178 8.751 2.922 108 HG3 PRO 18 HG3 PRO 18 9.626 9.651 3.537 109 HD2 PRO 18 HD2 PRO 18 7.427 10.958 2.912 110 HD3 PRO 18 HD3 PRO 18 8.941 11.588 2.298 111 H CYS 19 H CYS 19 7.075 7.981 0.770 112 HA CYS 19 HA CYS 19 7.718 6.128 -1.479 113 HB2 CYS 19 HB2 CYS 19 6.152 5.635 1.052 114 HB3 CYS 19 HB3 CYS 19 6.670 4.415 -0.087 115 H GLY 20 H GLY 20 5.848 8.609 -1.550 116 HA2 GLY 20 HA2 GLY 20 3.134 7.857 -1.328 117 HA3 GLY 20 HA3 GLY 20 3.757 9.200 -2.306 118 H GLU 21 H GLU 21 5.230 7.948 -4.185 119 HA GLU 21 HA GLU 21 3.498 6.957 -6.187 120 HB2 GLU 21 HB2 GLU 21 5.506 6.606 -7.361 121 HB3 GLU 21 HB3 GLU 21 5.794 8.018 -6.383 122 HG2 GLU 21 HG2 GLU 21 6.874 6.195 -4.740 123 HG3 GLU 21 HG3 GLU 21 6.973 5.254 -6.208 124 H GLN 22 H GLN 22 5.358 5.063 -3.712 125 HA GLN 22 HA GLN 22 4.781 2.554 -4.889 126 HB2 GLN 22 HB2 GLN 22 4.934 2.857 -1.874 127 HB3 GLN 22 HB3 GLN 22 5.401 1.522 -2.903 128 HG2 GLN 22 HG2 GLN 22 6.849 4.125 -2.498 129 HG3 GLN 22 HG3 GLN 22 7.296 2.558 -1.903 130 HE21 GLN 22 HE21 GLN 22 8.852 4.465 -3.460 131 HE22 GLN 22 HE22 GLN 22 9.149 3.726 -5.030 132 H PHE 23 H PHE 23 2.911 4.595 -2.603 133 HA PHE 23 HA PHE 23 0.684 2.809 -2.492 134 HB2 PHE 23 HB2 PHE 23 1.239 4.962 -0.990 135 HB3 PHE 23 HB3 PHE 23 0.287 5.792 -2.201 136 HD1 PHE 23 HD1 PHE 23 0.141 2.519 -0.430 137 HD2 PHE 23 HD2 PHE 23 -2.055 6.088 -1.485 138 HE1 PHE 23 HE1 PHE 23 -1.918 1.528 0.528 139 HE2 PHE 23 HE2 PHE 23 -3.973 5.204 -0.220 140 HZ PHE 23 HZ PHE 23 -4.023 2.830 0.476 141 H LYS 24 H LYS 24 1.272 5.659 -4.585 142 HA LYS 24 HA LYS 24 -1.128 5.637 -6.020 143 HB2 LYS 24 HB2 LYS 24 1.547 6.109 -7.302 144 HB3 LYS 24 HB3 LYS 24 0.065 6.724 -7.850 145 HG2 LYS 24 HG2 LYS 24 1.398 7.614 -5.280 146 HG3 LYS 24 HG3 LYS 24 1.455 8.426 -6.824 147 HD2 LYS 24 HD2 LYS 24 -1.141 8.437 -6.624 148 HD3 LYS 24 HD3 LYS 24 -0.886 8.036 -4.953 149 HE2 LYS 24 HE2 LYS 24 -1.125 10.439 -5.092 150 HE3 LYS 24 HE3 LYS 24 0.576 10.103 -4.745 151 HZ1 LYS 24 HZ1 LYS 24 -0.564 10.830 -7.405 152 HZ2 LYS 24 HZ2 LYS 24 1.010 10.460 -7.165 153 HZ3 LYS 24 HZ3 LYS 24 0.342 11.784 -6.478 154 H SER 25 H SER 25 1.805 3.914 -6.750 155 HA SER 25 HA SER 25 0.927 2.397 -8.958 156 HB2 SER 25 HB2 SER 25 3.235 2.911 -8.357 157 HB3 SER 25 HB3 SER 25 3.142 1.953 -6.898 158 HG SER 25 HG SER 25 2.814 0.974 -9.571 159 H ALA 26 H ALA 26 1.129 1.359 -5.482 160 HA ALA 26 HA ALA 26 0.118 -1.263 -5.972 161 HB1 ALA 26 HB1 ALA 26 -0.154 -1.325 -3.504 162 HB2 ALA 26 HB2 ALA 26 1.419 -0.654 -3.976 163 HB3 ALA 26 HB3 ALA 26 0.116 0.430 -3.444 164 H PHE 27 H PHE 27 -1.700 1.572 -4.595 165 HA PHE 27 HA PHE 27 -4.113 0.074 -4.696 166 HB2 PHE 27 HB2 PHE 27 -3.415 2.033 -3.158 167 HB3 PHE 27 HB3 PHE 27 -4.146 3.041 -4.392 168 HD1 PHE 27 HD1 PHE 27 -6.613 2.764 -4.904 169 HD2 PHE 27 HD2 PHE 27 -4.773 0.658 -1.609 170 HE1 PHE 27 HE1 PHE 27 -8.823 2.513 -3.826 171 HE2 PHE 27 HE2 PHE 27 -7.010 0.506 -0.497 172 HZ PHE 27 HZ PHE 27 -9.016 1.389 -1.626 173 H SER 28 H SER 28 -2.708 2.366 -7.128 174 HA SER 28 HA SER 28 -4.923 2.245 -8.938 175 HB2 SER 28 HB2 SER 28 -1.977 2.318 -9.680 176 HB3 SER 28 HB3 SER 28 -3.349 2.620 -10.759 177 HG SER 28 HG SER 28 -2.386 4.096 -8.592 178 H CYS 29 H CYS 29 -2.052 -0.020 -8.710 179 HA CYS 29 HA CYS 29 -2.981 -1.810 -10.647 180 HB2 CYS 29 HB2 CYS 29 -0.725 -1.853 -9.631 181 HB3 CYS 29 HB3 CYS 29 -1.359 -2.479 -8.140 182 H PHE 30 H PHE 30 -3.879 -1.784 -7.141 183 HA PHE 30 HA PHE 30 -5.723 -3.937 -7.307 184 HB2 PHE 30 HB2 PHE 30 -4.939 -3.249 -5.194 185 HB3 PHE 30 HB3 PHE 30 -5.401 -1.579 -5.466 186 HD1 PHE 30 HD1 PHE 30 -7.376 -4.815 -5.699 187 HD2 PHE 30 HD2 PHE 30 -6.952 -0.912 -3.902 188 HE1 PHE 30 HE1 PHE 30 -9.547 -5.108 -4.520 189 HE2 PHE 30 HE2 PHE 30 -9.134 -1.202 -2.765 190 HZ PHE 30 HZ PHE 30 -10.447 -3.293 -3.091 191 H HIS 31 H HIS 31 -6.409 -0.429 -7.881 192 HA HIS 31 HA HIS 31 -9.190 -0.718 -8.538 193 HB2 HIS 31 HB2 HIS 31 -7.027 1.279 -9.101 194 HB3 HIS 31 HB3 HIS 31 -8.432 1.287 -10.156 195 HD1 HIS 31 HD1 HIS 31 -9.833 3.258 -9.432 196 HD2 HIS 31 HD2 HIS 31 -8.421 0.907 -6.243 197 HE1 HIS 31 HE1 HIS 31 -10.876 4.224 -7.311 198 H TYR 32 H TYR 32 -6.339 -1.030 -10.621 199 HA TYR 32 HA TYR 32 -7.907 -1.929 -12.864 200 HB2 TYR 32 HB2 TYR 32 -4.933 -1.826 -12.429 201 HB3 TYR 32 HB3 TYR 32 -5.721 -2.203 -13.958 202 HD1 TYR 32 HD1 TYR 32 -7.945 -0.348 -14.215 203 HD2 TYR 32 HD2 TYR 32 -4.060 0.376 -12.489 204 HE1 TYR 32 HE1 TYR 32 -8.172 2.050 -14.737 205 HE2 TYR 32 HE2 TYR 32 -4.278 2.795 -13.042 206 HH TYR 32 HH TYR 32 -7.263 4.091 -14.561 207 H SER 33 H SER 33 -7.139 -3.613 -10.137 208 HA SER 33 HA SER 33 -7.139 -6.241 -11.487 209 HB2 SER 33 HB2 SER 33 -5.640 -5.603 -9.482 210 HB3 SER 33 HB3 SER 33 -7.077 -5.842 -8.487 211 HG SER 33 HG SER 33 -5.816 -7.641 -10.287 212 H THR 34 H THR 34 -8.985 -5.043 -8.655 213 HA THR 34 HA THR 34 -10.980 -5.741 -7.800 214 HB THR 34 HB THR 34 -12.990 -5.529 -9.148 215 HG1 THR 34 HG1 THR 34 -11.258 -5.879 -11.174 216 HG21 THR 34 HG21 THR 34 -11.931 -3.510 -8.206 217 HG22 THR 34 HG22 THR 34 -12.792 -3.179 -9.712 218 HG23 THR 34 HG23 THR 34 -11.018 -3.286 -9.715 219 H GLU 35 H GLU 35 -9.350 -7.813 -8.056 220 HA GLU 35 HA GLU 35 -10.749 -10.105 -9.228 221 HB2 GLU 35 HB2 GLU 35 -8.135 -9.641 -7.808 222 HB3 GLU 35 HB3 GLU 35 -8.767 -11.256 -7.830 223 HG2 GLU 35 HG2 GLU 35 -8.168 -9.496 -10.258 224 HG3 GLU 35 HG3 GLU 35 -7.201 -10.858 -9.710 225 H GLU 36 H GLU 36 -9.559 -9.787 -5.897 226 HA GLU 36 HA GLU 36 -12.066 -10.849 -4.763 227 HB2 GLU 36 HB2 GLU 36 -10.856 -12.807 -5.787 228 HB3 GLU 36 HB3 GLU 36 -9.511 -12.520 -4.694 229 HG2 GLU 36 HG2 GLU 36 -10.827 -13.055 -2.761 230 HG3 GLU 36 HG3 GLU 36 -12.336 -12.902 -3.662 231 H ILE 37 H ILE 37 -8.624 -10.248 -4.235 232 HA ILE 37 HA ILE 37 -9.144 -9.228 -1.441 233 HB ILE 37 HB ILE 37 -7.012 -11.028 -2.576 234 HG12 ILE 37 HG12 ILE 37 -8.836 -11.180 -0.156 235 HG13 ILE 37 HG13 ILE 37 -9.011 -12.019 -1.702 236 HG21 ILE 37 HG21 ILE 37 -6.669 -9.569 0.064 237 HG22 ILE 37 HG22 ILE 37 -5.650 -10.879 -0.562 238 HG23 ILE 37 HG23 ILE 37 -5.666 -9.355 -1.404 239 HD11 ILE 37 HD11 ILE 37 -6.849 -13.220 -1.245 240 HD12 ILE 37 HD12 ILE 37 -6.890 -12.537 0.400 241 HD13 ILE 37 HD13 ILE 37 -8.185 -13.611 -0.143 242 H LYS 38 H LYS 38 -7.541 -7.481 -0.669 243 HA LYS 38 HA LYS 38 -7.153 -5.426 -2.571 244 HB2 LYS 38 HB2 LYS 38 -5.315 -5.832 -0.173 245 HB3 LYS 38 HB3 LYS 38 -5.596 -4.339 -1.058 246 HG2 LYS 38 HG2 LYS 38 -7.441 -5.699 0.918 247 HG3 LYS 38 HG3 LYS 38 -6.539 -4.223 1.098 248 HD2 LYS 38 HD2 LYS 38 -8.663 -3.415 0.760 249 HD3 LYS 38 HD3 LYS 38 -7.935 -3.251 -0.833 250 HE2 LYS 38 HE2 LYS 38 -10.222 -4.099 -1.012 251 HE3 LYS 38 HE3 LYS 38 -9.091 -5.339 -1.562 252 HZ1 LYS 38 HZ1 LYS 38 -9.328 -6.418 0.608 253 HZ2 LYS 38 HZ2 LYS 38 -10.777 -6.275 -0.108 254 HZ3 LYS 38 HZ3 LYS 38 -10.363 -5.265 1.130 255 H GLY 39 H GLY 39 -6.219 -5.933 -4.471 256 HA2 GLY 39 HA2 GLY 39 -4.505 -6.142 -5.979 257 HA3 GLY 39 HA3 GLY 39 -3.386 -5.837 -4.644 258 H SER 40 H SER 40 -5.539 -8.734 -4.995 259 HA SER 40 HA SER 40 -3.444 -10.562 -4.477 260 HB2 SER 40 HB2 SER 40 -5.088 -12.292 -5.311 261 HB3 SER 40 HB3 SER 40 -5.636 -11.195 -4.072 262 HG SER 40 HG SER 40 -6.749 -11.675 -6.377 263 H ASP 41 H ASP 41 -3.939 -9.028 -7.485 264 HA ASP 41 HA ASP 41 -1.874 -10.818 -8.698 265 HB2 ASP 41 HB2 ASP 41 -4.024 -10.679 -9.898 266 HB3 ASP 41 HB3 ASP 41 -3.870 -8.925 -9.974 267 H CYS 42 H CYS 42 -1.729 -8.353 -6.842 268 HA CYS 42 HA CYS 42 0.089 -6.542 -8.399 269 HB2 CYS 42 HB2 CYS 42 -2.157 -5.851 -6.503 270 HB3 CYS 42 HB3 CYS 42 -0.989 -4.685 -7.098 271 H VAL 43 H VAL 43 0.148 -8.662 -5.898 272 HA VAL 43 HA VAL 43 0.710 -7.161 -3.618 273 HB VAL 43 HB VAL 43 0.015 -9.437 -3.512 274 HG11 VAL 43 HG11 VAL 43 1.244 -10.390 -5.389 275 HG12 VAL 43 HG12 VAL 43 2.783 -10.183 -4.519 276 HG13 VAL 43 HG13 VAL 43 1.551 -11.311 -3.911 277 HG21 VAL 43 HG21 VAL 43 2.744 -9.214 -2.191 278 HG22 VAL 43 HG22 VAL 43 1.255 -8.455 -1.576 279 HG23 VAL 43 HG23 VAL 43 1.374 -10.221 -1.688 280 H ASP 44 H ASP 44 3.032 -7.981 -6.135 281 HA ASP 44 HA ASP 44 5.433 -7.365 -4.782 282 HB2 ASP 44 HB2 ASP 44 4.863 -8.328 -7.135 283 HB3 ASP 44 HB3 ASP 44 4.841 -6.657 -7.674 284 H GLN 45 H GLN 45 3.112 -5.114 -6.360 285 HA GLN 45 HA GLN 45 4.568 -2.700 -5.895 286 HB2 GLN 45 HB2 GLN 45 1.613 -3.214 -6.300 287 HB3 GLN 45 HB3 GLN 45 2.330 -1.623 -6.110 288 HG2 GLN 45 HG2 GLN 45 2.022 -2.053 -8.432 289 HG3 GLN 45 HG3 GLN 45 3.717 -1.901 -8.084 290 HE21 GLN 45 HE21 GLN 45 1.142 -4.331 -8.684 291 HE22 GLN 45 HE22 GLN 45 2.232 -5.565 -9.286 292 H PHE 46 H PHE 46 2.126 -4.427 -3.903 293 HA PHE 46 HA PHE 46 2.182 -2.591 -1.676 294 HB2 PHE 46 HB2 PHE 46 1.417 -5.506 -1.875 295 HB3 PHE 46 HB3 PHE 46 1.191 -4.543 -0.431 296 HD1 PHE 46 HD1 PHE 46 0.065 -4.760 -4.007 297 HD2 PHE 46 HD2 PHE 46 -0.715 -3.158 -0.086 298 HE1 PHE 46 HE1 PHE 46 -2.106 -3.834 -4.807 299 HE2 PHE 46 HE2 PHE 46 -2.895 -2.290 -0.875 300 HZ PHE 46 HZ PHE 46 -3.580 -2.602 -3.241 301 H ARG 47 H ARG 47 4.081 -5.508 -2.444 302 HA ARG 47 HA ARG 47 5.538 -5.625 -0.055 303 HB2 ARG 47 HB2 ARG 47 5.493 -7.351 -1.930 304 HB3 ARG 47 HB3 ARG 47 6.749 -6.379 -2.727 305 HG2 ARG 47 HG2 ARG 47 8.160 -6.581 -0.655 306 HG3 ARG 47 HG3 ARG 47 6.865 -7.509 0.116 307 HD2 ARG 47 HD2 ARG 47 8.506 -9.061 -0.625 308 HD3 ARG 47 HD3 ARG 47 7.098 -9.246 -1.672 309 HE ARG 47 HE ARG 47 9.670 -7.866 -2.356 310 HH11 ARG 47 HH11 ARG 47 6.721 -9.528 -3.500 311 HH12 ARG 47 HH12 ARG 47 7.254 -9.522 -5.168 312 HH21 ARG 47 HH21 ARG 47 10.300 -7.880 -4.518 313 HH22 ARG 47 HH22 ARG 47 9.268 -8.587 -5.742 314 H ALA 48 H ALA 48 6.254 -3.756 -3.034 315 HA ALA 48 HA ALA 48 8.493 -2.344 -1.972 316 HB1 ALA 48 HB1 ALA 48 6.468 -1.691 -4.115 317 HB2 ALA 48 HB2 ALA 48 7.836 -0.620 -3.700 318 HB3 ALA 48 HB3 ALA 48 8.150 -2.281 -4.275 319 H MET 49 H MET 49 4.971 -1.493 -1.826 320 HA MET 49 HA MET 49 5.220 0.946 -0.485 321 HB2 MET 49 HB2 MET 49 3.094 -0.141 -1.352 322 HB3 MET 49 HB3 MET 49 3.111 -1.153 0.097 323 HG2 MET 49 HG2 MET 49 3.262 1.172 1.353 324 HG3 MET 49 HG3 MET 49 2.579 1.784 -0.152 325 HE1 MET 49 HE1 MET 49 -0.769 -0.500 -0.241 326 HE2 MET 49 HE2 MET 49 0.345 0.462 -1.234 327 HE3 MET 49 HE3 MET 49 0.795 -1.178 -0.727 328 H GLN 50 H GLN 50 4.935 -2.266 1.113 329 HA GLN 50 HA GLN 50 5.399 -1.253 3.724 330 HB2 GLN 50 HB2 GLN 50 4.270 -3.346 3.212 331 HB3 GLN 50 HB3 GLN 50 5.759 -4.065 2.609 332 HG2 GLN 50 HG2 GLN 50 5.539 -2.969 5.450 333 HG3 GLN 50 HG3 GLN 50 4.937 -4.569 5.051 334 HE21 GLN 50 HE21 GLN 50 7.459 -3.337 6.587 335 HE22 GLN 50 HE22 GLN 50 8.751 -4.388 5.964 336 H GLU 51 H GLU 51 7.713 -2.803 1.504 337 HA GLU 51 HA GLU 51 10.139 -2.620 2.963 338 HB2 GLU 51 HB2 GLU 51 9.813 -3.783 0.788 339 HB3 GLU 51 HB3 GLU 51 9.346 -2.281 0.031 340 HG2 GLU 51 HG2 GLU 51 11.306 -2.592 -0.912 341 HG3 GLU 51 HG3 GLU 51 11.757 -1.469 0.320 342 H CYS 52 H CYS 52 8.507 -0.041 1.115 343 HA CYS 52 HA CYS 52 10.683 1.850 1.673 344 HB2 CYS 52 HB2 CYS 52 9.402 1.710 -0.453 345 HB3 CYS 52 HB3 CYS 52 7.984 2.209 0.347 346 H MET 53 H MET 53 7.369 1.214 2.950 347 HA MET 53 HA MET 53 7.491 3.652 4.489 348 HB2 MET 53 HB2 MET 53 5.340 1.523 4.296 349 HB3 MET 53 HB3 MET 53 5.218 2.937 5.351 350 HG2 MET 53 HG2 MET 53 5.547 4.441 3.412 351 HG3 MET 53 HG3 MET 53 5.586 3.043 2.338 352 HE1 MET 53 HE1 MET 53 3.686 3.911 0.757 353 HE2 MET 53 HE2 MET 53 2.190 4.660 1.362 354 HE3 MET 53 HE3 MET 53 3.761 5.415 1.698 355 H GLN 54 H GLN 54 8.423 0.463 5.098 356 HA GLN 54 HA GLN 54 8.726 0.593 7.938 357 HB2 GLN 54 HB2 GLN 54 10.076 -1.348 7.566 358 HB3 GLN 54 HB3 GLN 54 8.767 -1.393 6.459 359 HG2 GLN 54 HG2 GLN 54 10.562 -2.108 5.204 360 HG3 GLN 54 HG3 GLN 54 10.384 -0.410 4.768 361 HE21 GLN 54 HE21 GLN 54 12.550 -0.745 3.952 362 HE22 GLN 54 HE22 GLN 54 13.934 -0.566 5.033 363 H LYS 55 H LYS 55 10.635 2.063 5.325 364 HA LYS 55 HA LYS 55 12.806 3.029 6.986 365 HB2 LYS 55 HB2 LYS 55 11.769 4.393 4.477 366 HB3 LYS 55 HB3 LYS 55 13.327 4.540 5.262 367 HG2 LYS 55 HG2 LYS 55 13.903 2.214 4.659 368 HG3 LYS 55 HG3 LYS 55 12.305 1.979 3.949 369 HD2 LYS 55 HD2 LYS 55 14.021 2.432 2.217 370 HD3 LYS 55 HD3 LYS 55 12.714 3.612 2.229 371 HE2 LYS 55 HE2 LYS 55 14.746 4.828 1.911 372 HE3 LYS 55 HE3 LYS 55 14.149 5.180 3.535 373 HZ1 LYS 55 HZ1 LYS 55 16.515 4.778 3.538 374 HZ2 LYS 55 HZ2 LYS 55 16.327 3.259 2.911 375 HZ3 LYS 55 HZ3 LYS 55 15.785 3.622 4.424 376 H TYR 56 H TYR 56 9.755 4.393 5.956 377 HA TYR 56 HA TYR 56 10.046 6.758 7.807 378 HB2 TYR 56 HB2 TYR 56 8.665 7.242 5.254 379 HB3 TYR 56 HB3 TYR 56 9.531 8.156 6.309 380 HD1 TYR 56 HD1 TYR 56 11.934 7.536 7.020 381 HD2 TYR 56 HD2 TYR 56 10.078 6.809 3.206 382 HE1 TYR 56 HE1 TYR 56 14.062 7.933 5.945 383 HE2 TYR 56 HE2 TYR 56 12.223 7.302 2.053 384 HH TYR 56 HH TYR 56 15.220 8.193 3.844 385 HA PRO 57 HA PRO 57 6.495 4.171 8.908 386 HB2 PRO 57 HB2 PRO 57 6.293 4.877 11.576 387 HB3 PRO 57 HB3 PRO 57 7.539 3.780 10.909 388 HG2 PRO 57 HG2 PRO 57 7.794 6.760 11.477 389 HG3 PRO 57 HG3 PRO 57 8.950 5.448 11.907 390 HD2 PRO 57 HD2 PRO 57 9.396 6.925 9.749 391 HD3 PRO 57 HD3 PRO 57 9.647 5.156 9.722 392 H ASP 58 H ASP 58 6.426 7.646 9.511 393 HA ASP 58 HA ASP 58 3.452 7.758 9.407 394 HB2 ASP 58 HB2 ASP 58 5.146 7.982 11.860 395 HB3 ASP 58 HB3 ASP 58 3.960 9.246 11.681 396 H LEU 59 H LEU 59 6.185 9.065 8.212 397 HA LEU 59 HA LEU 59 6.227 11.536 9.748 398 HB2 LEU 59 HB2 LEU 59 8.492 11.676 8.771 399 HB3 LEU 59 HB3 LEU 59 8.197 10.196 9.616 400 HG LEU 59 HG LEU 59 8.310 9.065 7.570 401 HD11 LEU 59 HD11 LEU 59 8.417 11.735 6.087 402 HD12 LEU 59 HD12 LEU 59 7.069 10.580 6.070 403 HD13 LEU 59 HD13 LEU 59 8.610 10.122 5.374 404 HD21 LEU 59 HD21 LEU 59 10.316 11.382 7.649 405 HD22 LEU 59 HD22 LEU 59 10.566 9.976 6.652 406 HD23 LEU 59 HD23 LEU 59 10.502 9.793 8.429 407 H TYR 60 H TYR 60 4.323 11.182 7.516 408 HA TYR 60 HA TYR 60 5.028 13.369 5.648 409 HB2 TYR 60 HB2 TYR 60 4.189 11.699 3.794 410 HB3 TYR 60 HB3 TYR 60 5.776 11.676 4.456 411 HD1 TYR 60 HD1 TYR 60 2.777 10.131 6.187 412 HD2 TYR 60 HD2 TYR 60 6.409 9.534 3.984 413 HE1 TYR 60 HE1 TYR 60 2.742 7.728 6.760 414 HE2 TYR 60 HE2 TYR 60 6.423 7.208 4.561 415 HH TYR 60 HH TYR 60 5.484 5.634 6.062 416 H GLU 61 H GLU 61 -10.524 11.825 11.547 417 HA GLU 61 HA GLU 61 -10.046 14.354 10.125 418 HB2 GLU 61 HB2 GLU 61 -8.193 12.055 10.408 419 HB3 GLU 61 HB3 GLU 61 -8.532 12.517 8.747 420 HG2 GLU 61 HG2 GLU 61 -6.580 13.689 9.516 421 HG3 GLU 61 HG3 GLU 61 -7.884 14.822 9.171 422 H HIS 62 H HIS 62 -11.569 14.604 8.680 423 HA HIS 62 HA HIS 62 -13.377 12.532 7.966 424 HB2 HIS 62 HB2 HIS 62 -14.505 14.147 6.710 425 HB3 HIS 62 HB3 HIS 62 -13.785 15.055 8.031 426 HD1 HIS 62 HD1 HIS 62 -11.179 16.190 7.126 427 HD2 HIS 62 HD2 HIS 62 -14.206 15.171 4.375 428 HE1 HIS 62 HE1 HIS 62 -10.655 17.460 4.974 429 H CYS 63 H CYS 63 -13.909 11.836 5.807 430 HA CYS 63 HA CYS 63 -13.546 10.693 3.870 431 HB2 CYS 63 HB2 CYS 63 -12.276 13.016 3.426 432 HB3 CYS 63 HB3 CYS 63 -10.897 11.955 3.329 433 H GLY 64 H GLY 64 -10.784 10.777 6.055 434 HA2 GLY 64 HA2 GLY 64 -9.189 8.766 4.814 435 HA3 GLY 64 HA3 GLY 64 -8.975 9.421 6.429 436 H HIS 65 H HIS 65 -12.050 7.811 6.103 437 HA HIS 65 HA HIS 65 -11.562 5.863 7.992 438 HB2 HIS 65 HB2 HIS 65 -13.538 4.723 7.228 439 HB3 HIS 65 HB3 HIS 65 -13.790 6.451 7.203 440 HD1 HIS 65 HD1 HIS 65 -13.188 7.416 4.378 441 HD2 HIS 65 HD2 HIS 65 -14.729 3.596 5.250 442 HE1 HIS 65 HE1 HIS 65 -14.405 6.647 2.292 443 H LEU 66 H LEU 66 -10.854 5.425 4.533 444 HA LEU 66 HA LEU 66 -9.967 2.718 4.876 445 HB2 LEU 66 HB2 LEU 66 -9.287 2.784 2.533 446 HB3 LEU 66 HB3 LEU 66 -10.936 3.285 2.850 447 HG LEU 66 HG LEU 66 -8.651 5.149 2.078 448 HD11 LEU 66 HD11 LEU 66 -9.462 3.680 0.249 449 HD12 LEU 66 HD12 LEU 66 -9.997 5.330 -0.024 450 HD13 LEU 66 HD13 LEU 66 -11.138 4.138 0.609 451 HD21 LEU 66 HD21 LEU 66 -10.526 6.793 1.632 452 HD22 LEU 66 HD22 LEU 66 -10.119 6.562 3.311 453 HD23 LEU 66 HD23 LEU 66 -11.572 5.761 2.621 454 H ILE 67 H ILE 67 -8.162 5.618 5.511 455 HA ILE 67 HA ILE 67 -5.548 4.816 4.826 456 HB ILE 67 HB ILE 67 -6.479 6.530 7.149 457 HG12 ILE 67 HG12 ILE 67 -7.138 7.388 4.908 458 HG13 ILE 67 HG13 ILE 67 -6.097 8.453 5.831 459 HG21 ILE 67 HG21 ILE 67 -4.173 7.535 7.081 460 HG22 ILE 67 HG22 ILE 67 -4.255 5.896 7.723 461 HG23 ILE 67 HG23 ILE 67 -3.668 6.162 6.064 462 HD11 ILE 67 HD11 ILE 67 -5.482 8.430 3.458 463 HD12 ILE 67 HD12 ILE 67 -4.155 7.832 4.449 464 HD13 ILE 67 HD13 ILE 67 -5.172 6.689 3.525 465 H GLU 68 H GLU 68 -7.139 4.275 8.006 466 HA GLU 68 HA GLU 68 -4.994 2.812 9.160 467 HB2 GLU 68 HB2 GLU 68 -6.858 3.894 10.359 468 HB3 GLU 68 HB3 GLU 68 -7.984 2.674 9.741 469 HG2 GLU 68 HG2 GLU 68 -6.830 0.937 11.013 470 HG3 GLU 68 HG3 GLU 68 -5.533 2.065 11.435 471 H ALA 69 H ALA 69 -7.798 1.633 7.271 472 HA ALA 69 HA ALA 69 -7.106 -1.140 7.441 473 HB1 ALA 69 HB1 ALA 69 -9.358 -0.254 6.886 474 HB2 ALA 69 HB2 ALA 69 -8.737 0.335 5.325 475 HB3 ALA 69 HB3 ALA 69 -8.774 -1.405 5.676 476 H HIS 70 H HIS 70 -6.063 1.404 5.137 477 HA HIS 70 HA HIS 70 -4.592 -0.290 3.361 478 HB2 HIS 70 HB2 HIS 70 -3.856 2.548 4.207 479 HB3 HIS 70 HB3 HIS 70 -3.320 1.694 2.778 480 HD1 HIS 70 HD1 HIS 70 -6.530 0.758 2.041 481 HD2 HIS 70 HD2 HIS 70 -4.782 4.553 2.661 482 HE1 HIS 70 HE1 HIS 70 -7.790 2.430 0.612 483 H LYS 71 H LYS 71 -3.512 1.522 6.289 484 HA LYS 71 HA LYS 71 -0.838 0.551 6.334 485 HB2 LYS 71 HB2 LYS 71 -2.676 1.503 8.567 486 HB3 LYS 71 HB3 LYS 71 -0.962 1.149 8.803 487 HG2 LYS 71 HG2 LYS 71 -0.278 2.902 7.290 488 HG3 LYS 71 HG3 LYS 71 -1.946 3.192 6.764 489 HD2 LYS 71 HD2 LYS 71 -2.571 3.871 9.054 490 HD3 LYS 71 HD3 LYS 71 -0.911 3.623 9.605 491 HE2 LYS 71 HE2 LYS 71 -1.648 5.545 7.348 492 HE3 LYS 71 HE3 LYS 71 -1.674 6.022 9.052 493 HZ1 LYS 71 HZ1 LYS 71 0.739 5.077 7.606 494 HZ2 LYS 71 HZ2 LYS 71 0.654 5.447 9.220 495 HZ3 LYS 71 HZ3 LYS 71 0.403 6.608 8.071 496 H GLU 72 H GLU 72 -3.699 -0.773 8.069 497 HA GLU 72 HA GLU 72 -2.273 -2.984 9.201 498 HB2 GLU 72 HB2 GLU 72 -5.205 -2.455 8.632 499 HB3 GLU 72 HB3 GLU 72 -4.641 -3.909 9.457 500 HG2 GLU 72 HG2 GLU 72 -3.961 -1.102 10.458 501 HG3 GLU 72 HG3 GLU 72 -5.408 -1.982 10.950 502 H SER 73 H SER 73 -4.124 -2.808 6.103 503 HA SER 73 HA SER 73 -3.755 -5.572 5.481 504 HB2 SER 73 HB2 SER 73 -5.468 -4.189 4.431 505 HB3 SER 73 HB3 SER 73 -4.223 -3.204 3.636 506 HG SER 73 HG SER 73 -4.648 -6.006 3.273 507 H MET 74 H MET 74 -1.768 -2.692 4.436 508 HA MET 74 HA MET 74 0.088 -4.344 3.058 509 HB2 MET 74 HB2 MET 74 1.409 -2.454 2.698 510 HB3 MET 74 HB3 MET 74 -0.269 -1.929 2.661 511 HG2 MET 74 HG2 MET 74 0.774 -0.231 3.831 512 HG3 MET 74 HG3 MET 74 0.101 -1.207 5.121 513 HE1 MET 74 HE1 MET 74 2.297 1.073 5.533 514 HE2 MET 74 HE2 MET 74 1.640 0.084 6.863 515 HE3 MET 74 HE3 MET 74 3.397 0.275 6.678 516 H ARG 75 H ARG 75 0.117 -3.307 6.497 517 HA ARG 75 HA ARG 75 2.582 -4.538 7.201 518 HB2 ARG 75 HB2 ARG 75 0.002 -4.099 8.734 519 HB3 ARG 75 HB3 ARG 75 1.436 -4.809 9.483 520 HG2 ARG 75 HG2 ARG 75 2.745 -2.837 9.176 521 HG3 ARG 75 HG3 ARG 75 1.574 -2.125 8.063 522 HD2 ARG 75 HD2 ARG 75 -0.112 -2.091 9.934 523 HD3 ARG 75 HD3 ARG 75 1.168 -2.621 11.040 524 HE ARG 75 HE ARG 75 2.274 -0.425 9.850 525 HH11 ARG 75 HH11 ARG 75 -0.855 -0.906 11.492 526 HH12 ARG 75 HH12 ARG 75 -0.956 0.760 12.014 527 HH21 ARG 75 HH21 ARG 75 2.099 1.725 10.541 528 HH22 ARG 75 HH22 ARG 75 0.713 2.250 11.471 529 H ALA 76 H ALA 76 -0.730 -5.966 7.159 530 HA ALA 76 HA ALA 76 0.006 -8.568 7.939 531 HB1 ALA 76 HB1 ALA 76 -2.269 -7.695 6.104 532 HB2 ALA 76 HB2 ALA 76 -2.147 -9.248 6.953 533 HB3 ALA 76 HB3 ALA 76 -2.313 -7.748 7.878 534 H LEU 77 H LEU 77 -0.215 -7.269 4.575 535 HA LEU 77 HA LEU 77 0.770 -9.595 3.266 536 HB2 LEU 77 HB2 LEU 77 0.893 -6.645 2.537 537 HB3 LEU 77 HB3 LEU 77 1.413 -7.925 1.448 538 HG LEU 77 HG LEU 77 -1.424 -7.701 2.554 539 HD11 LEU 77 HD11 LEU 77 -2.016 -6.895 0.303 540 HD12 LEU 77 HD12 LEU 77 -0.304 -6.923 -0.172 541 HD13 LEU 77 HD13 LEU 77 -0.873 -5.800 1.089 542 HD21 LEU 77 HD21 LEU 77 -0.902 -9.995 1.905 543 HD22 LEU 77 HD22 LEU 77 -0.228 -9.438 0.354 544 HD23 LEU 77 HD23 LEU 77 -1.962 -9.266 0.699 545 H GLY 78 H GLY 78 2.601 -6.828 4.613 546 HA2 GLY 78 HA2 GLY 78 5.227 -7.586 3.961 547 HA3 GLY 78 HA3 GLY 78 4.748 -6.750 5.448 548 H PHE 79 H PHE 79 3.340 -8.606 6.890 549 HA PHE 79 HA PHE 79 5.270 -10.589 7.670 550 HB2 PHE 79 HB2 PHE 79 2.343 -10.196 8.386 551 HB3 PHE 79 HB3 PHE 79 3.355 -11.441 9.099 552 HD1 PHE 79 HD1 PHE 79 5.713 -10.585 10.061 553 HD2 PHE 79 HD2 PHE 79 2.159 -8.181 9.617 554 HE1 PHE 79 HE1 PHE 79 6.588 -8.974 11.734 555 HE2 PHE 79 HE2 PHE 79 3.050 -6.566 11.281 556 HZ PHE 79 HZ PHE 79 5.264 -6.963 12.341 557 H LYS 80 H LYS 80 2.601 -10.756 5.379 558 HA LYS 80 HA LYS 80 2.337 -13.608 5.273 559 HB2 LYS 80 HB2 LYS 80 0.703 -11.812 4.420 560 HB3 LYS 80 HB3 LYS 80 1.727 -11.724 2.977 561 HG2 LYS 80 HG2 LYS 80 1.410 -14.277 2.809 562 HG3 LYS 80 HG3 LYS 80 0.181 -14.084 4.079 563 HD2 LYS 80 HD2 LYS 80 -1.021 -12.461 2.578 564 HD3 LYS 80 HD3 LYS 80 0.150 -12.828 1.301 565 HE2 LYS 80 HE2 LYS 80 -1.787 -14.771 2.642 566 HE3 LYS 80 HE3 LYS 80 -1.917 -14.121 1.007 567 HZ1 LYS 80 HZ1 LYS 80 0.154 -16.017 1.982 568 HZ2 LYS 80 HZ2 LYS 80 0.217 -15.281 0.492 569 HZ3 LYS 80 HZ3 LYS 80 -0.982 -16.293 0.857 570 H ILE 81 H ILE 81 4.181 -11.394 3.183 571 HA ILE 81 HA ILE 81 5.096 -13.609 1.493 572 HB ILE 81 HB ILE 81 5.664 -10.634 1.301 573 HG12 ILE 81 HG12 ILE 81 3.271 -10.961 1.084 574 HG13 ILE 81 HG13 ILE 81 3.961 -10.597 -0.479 575 HG21 ILE 81 HG21 ILE 81 7.325 -11.822 0.032 576 HG22 ILE 81 HG22 ILE 81 6.126 -12.949 -0.635 577 HG23 ILE 81 HG23 ILE 81 6.130 -11.249 -1.124 578 HD11 ILE 81 HD11 ILE 81 2.240 -12.319 -0.669 579 HD12 ILE 81 HD12 ILE 81 3.808 -13.010 -1.112 580 HD13 ILE 81 HD13 ILE 81 3.087 -13.362 0.479 Start of MODEL 3 1 H ASN 1 H ASN 1 -9.628 12.199 -17.264 2 HA ASN 1 HA ASN 1 -7.344 11.719 -15.515 3 HB2 ASN 1 HB2 ASN 1 -8.351 13.894 -15.035 4 HB3 ASN 1 HB3 ASN 1 -9.929 13.148 -14.791 5 HD21 ASN 1 HD21 ASN 1 -6.533 12.925 -13.549 6 HD22 ASN 1 HD22 ASN 1 -7.131 12.779 -11.892 7 H GLY 2 H GLY 2 -10.783 11.197 -14.705 8 HA2 GLY 2 HA2 GLY 2 -11.799 9.313 -13.851 9 HA3 GLY 2 HA3 GLY 2 -10.794 8.364 -14.941 10 H ASN 3 H ASN 3 -9.031 10.249 -12.624 11 HA ASN 3 HA ASN 3 -7.935 7.835 -11.433 12 HB2 ASN 3 HB2 ASN 3 -7.395 10.796 -11.128 13 HB3 ASN 3 HB3 ASN 3 -6.673 9.644 -10.027 14 HD21 ASN 3 HD21 ASN 3 -5.575 7.653 -11.220 15 HD22 ASN 3 HD22 ASN 3 -4.525 8.250 -12.473 16 H ILE 4 H ILE 4 -7.698 7.430 -9.333 17 HA ILE 4 HA ILE 4 -9.735 7.119 -7.495 18 HB ILE 4 HB ILE 4 -7.004 6.612 -7.776 19 HG12 ILE 4 HG12 ILE 4 -8.078 5.911 -5.082 20 HG13 ILE 4 HG13 ILE 4 -8.978 5.281 -6.423 21 HG21 ILE 4 HG21 ILE 4 -6.333 8.636 -6.590 22 HG22 ILE 4 HG22 ILE 4 -7.222 8.074 -5.125 23 HG23 ILE 4 HG23 ILE 4 -5.887 7.142 -5.776 24 HD11 ILE 4 HD11 ILE 4 -7.269 3.649 -5.843 25 HD12 ILE 4 HD12 ILE 4 -6.859 4.318 -7.416 26 HD13 ILE 4 HD13 ILE 4 -5.978 4.870 -5.974 27 H ASN 5 H ASN 5 -8.033 10.011 -8.058 28 HA ASN 5 HA ASN 5 -7.888 12.105 -7.226 29 HB2 ASN 5 HB2 ASN 5 -10.450 11.852 -7.137 30 HB3 ASN 5 HB3 ASN 5 -10.249 11.749 -5.392 31 HD21 ASN 5 HD21 ASN 5 -9.720 13.762 -8.271 32 HD22 ASN 5 HD22 ASN 5 -9.479 15.270 -7.396 33 H TRP 6 H TRP 6 -5.850 11.286 -6.430 34 HA TRP 6 HA TRP 6 -5.371 10.183 -3.872 35 HB2 TRP 6 HB2 TRP 6 -3.501 12.028 -5.382 36 HB3 TRP 6 HB3 TRP 6 -3.064 10.819 -4.187 37 HD1 TRP 6 HD1 TRP 6 -3.127 11.330 -7.704 38 HE1 TRP 6 HE1 TRP 6 -3.013 9.154 -9.104 39 HE3 TRP 6 HE3 TRP 6 -3.713 8.056 -3.927 40 HZ2 TRP 6 HZ2 TRP 6 -2.768 6.320 -8.481 41 HZ3 TRP 6 HZ3 TRP 6 -3.524 5.631 -4.321 42 HH2 TRP 6 HH2 TRP 6 -3.226 4.724 -6.612 43 H ASN 7 H ASN 7 -5.759 13.543 -4.750 44 HA ASN 7 HA ASN 7 -4.943 14.864 -2.321 45 HB2 ASN 7 HB2 ASN 7 -5.101 16.000 -4.441 46 HB3 ASN 7 HB3 ASN 7 -6.806 15.543 -4.619 47 HD21 ASN 7 HD21 ASN 7 -4.655 17.217 -2.250 48 HD22 ASN 7 HD22 ASN 7 -5.874 18.411 -1.824 49 H SER 8 H SER 8 -7.929 13.117 -3.053 50 HA SER 8 HA SER 8 -9.556 14.356 -1.105 51 HB2 SER 8 HB2 SER 8 -11.032 12.457 -1.330 52 HB3 SER 8 HB3 SER 8 -10.431 12.941 -2.915 53 HG SER 8 HG SER 8 -8.972 11.232 -2.852 54 HA PRO 9 HA PRO 9 -7.962 12.876 2.772 55 HB2 PRO 9 HB2 PRO 9 -10.206 12.761 4.350 56 HB3 PRO 9 HB3 PRO 9 -9.463 14.297 3.812 57 HG2 PRO 9 HG2 PRO 9 -11.791 12.814 2.538 58 HG3 PRO 9 HG3 PRO 9 -11.704 14.548 2.995 59 HD2 PRO 9 HD2 PRO 9 -11.225 13.770 0.466 60 HD3 PRO 9 HD3 PRO 9 -10.222 15.039 1.224 61 H CYS 10 H CYS 10 -10.174 11.084 0.929 62 HA CYS 10 HA CYS 10 -10.416 8.628 2.236 63 HB2 CYS 10 HB2 CYS 10 -10.002 9.102 -0.731 64 HB3 CYS 10 HB3 CYS 10 -10.838 7.745 -0.012 65 H LEU 11 H LEU 11 -7.810 9.617 -0.030 66 HA LEU 11 HA LEU 11 -6.090 7.313 0.874 67 HB2 LEU 11 HB2 LEU 11 -6.206 8.825 -1.744 68 HB3 LEU 11 HB3 LEU 11 -4.854 7.825 -1.259 69 HG LEU 11 HG LEU 11 -6.549 5.850 -1.040 70 HD11 LEU 11 HD11 LEU 11 -8.405 6.019 -2.606 71 HD12 LEU 11 HD12 LEU 11 -8.089 7.768 -2.796 72 HD13 LEU 11 HD13 LEU 11 -8.633 7.093 -1.226 73 HD21 LEU 11 HD21 LEU 11 -6.303 5.396 -3.407 74 HD22 LEU 11 HD22 LEU 11 -4.827 6.079 -2.708 75 HD23 LEU 11 HD23 LEU 11 -5.882 7.116 -3.652 76 H GLY 12 H GLY 12 -6.291 10.713 1.213 77 HA2 GLY 12 HA2 GLY 12 -3.883 11.736 0.297 78 HA3 GLY 12 HA3 GLY 12 -4.788 12.410 1.649 79 H GLY 13 H GLY 13 -4.399 10.539 3.649 80 HA2 GLY 13 HA2 GLY 13 -1.795 11.074 4.657 81 HA3 GLY 13 HA3 GLY 13 -2.937 9.883 5.288 82 H MET 14 H MET 14 -2.772 8.525 2.524 83 HA MET 14 HA MET 14 -0.333 6.860 3.017 84 HB2 MET 14 HB2 MET 14 -2.779 6.353 1.295 85 HB3 MET 14 HB3 MET 14 -1.399 5.266 1.501 86 HG2 MET 14 HG2 MET 14 -3.176 6.216 3.744 87 HG3 MET 14 HG3 MET 14 -3.380 4.736 2.828 88 HE1 MET 14 HE1 MET 14 -3.489 3.653 5.402 89 HE2 MET 14 HE2 MET 14 -2.109 3.747 6.522 90 HE3 MET 14 HE3 MET 14 -3.020 5.214 6.122 91 H ALA 15 H ALA 15 -2.075 8.318 0.232 92 HA ALA 15 HA ALA 15 0.092 7.873 -1.542 93 HB1 ALA 15 HB1 ALA 15 -1.223 8.889 -3.253 94 HB2 ALA 15 HB2 ALA 15 -2.327 8.018 -2.185 95 HB3 ALA 15 HB3 ALA 15 -2.209 9.782 -2.077 96 H SER 16 H SER 16 -0.089 10.334 0.758 97 HA SER 16 HA SER 16 1.915 12.110 -0.452 98 HB2 SER 16 HB2 SER 16 1.118 11.739 2.466 99 HB3 SER 16 HB3 SER 16 2.064 13.076 1.795 100 HG SER 16 HG SER 16 -0.666 12.450 1.436 101 H GLY 17 H GLY 17 4.120 12.421 0.796 102 HA2 GLY 17 HA2 GLY 17 5.726 11.581 2.421 103 HA3 GLY 17 HA3 GLY 17 4.999 10.023 2.313 104 HA PRO 18 HA PRO 18 9.252 10.161 0.006 105 HB2 PRO 18 HB2 PRO 18 10.175 7.978 1.440 106 HB3 PRO 18 HB3 PRO 18 10.344 9.701 1.904 107 HG2 PRO 18 HG2 PRO 18 8.147 7.828 2.814 108 HG3 PRO 18 HG3 PRO 18 9.307 8.757 3.832 109 HD2 PRO 18 HD2 PRO 18 7.017 9.931 3.336 110 HD3 PRO 18 HD3 PRO 18 8.464 10.868 2.956 111 H CYS 19 H CYS 19 6.687 7.902 0.543 112 HA CYS 19 HA CYS 19 7.537 6.217 -1.779 113 HB2 CYS 19 HB2 CYS 19 6.061 5.312 0.690 114 HB3 CYS 19 HB3 CYS 19 6.663 4.286 -0.587 115 H GLY 20 H GLY 20 5.673 8.629 -1.520 116 HA2 GLY 20 HA2 GLY 20 2.959 7.894 -1.436 117 HA3 GLY 20 HA3 GLY 20 3.611 9.287 -2.322 118 H GLU 21 H GLU 21 5.063 8.200 -4.213 119 HA GLU 21 HA GLU 21 3.523 7.258 -6.398 120 HB2 GLU 21 HB2 GLU 21 5.759 6.801 -7.320 121 HB3 GLU 21 HB3 GLU 21 5.613 8.381 -6.595 122 HG2 GLU 21 HG2 GLU 21 6.761 6.318 -4.791 123 HG3 GLU 21 HG3 GLU 21 7.701 6.628 -6.242 124 H GLN 22 H GLN 22 5.255 5.236 -3.960 125 HA GLN 22 HA GLN 22 4.614 2.804 -5.324 126 HB2 GLN 22 HB2 GLN 22 4.877 2.937 -2.326 127 HB3 GLN 22 HB3 GLN 22 5.244 1.632 -3.430 128 HG2 GLN 22 HG2 GLN 22 6.797 4.141 -2.884 129 HG3 GLN 22 HG3 GLN 22 7.231 2.505 -2.504 130 HE21 GLN 22 HE21 GLN 22 8.540 4.718 -4.072 131 HE22 GLN 22 HE22 GLN 22 8.795 4.068 -5.688 132 H PHE 23 H PHE 23 2.854 4.766 -2.860 133 HA PHE 23 HA PHE 23 0.651 2.957 -2.694 134 HB2 PHE 23 HB2 PHE 23 1.230 5.063 -1.207 135 HB3 PHE 23 HB3 PHE 23 0.252 5.926 -2.393 136 HD1 PHE 23 HD1 PHE 23 0.297 3.047 -0.055 137 HD2 PHE 23 HD2 PHE 23 -2.223 5.732 -2.328 138 HE1 PHE 23 HE1 PHE 23 -1.716 2.003 0.934 139 HE2 PHE 23 HE2 PHE 23 -4.212 4.690 -1.271 140 HZ PHE 23 HZ PHE 23 -3.981 2.769 0.223 141 H LYS 24 H LYS 24 1.195 5.806 -4.818 142 HA LYS 24 HA LYS 24 -1.045 5.635 -6.434 143 HB2 LYS 24 HB2 LYS 24 1.648 6.071 -7.657 144 HB3 LYS 24 HB3 LYS 24 0.176 6.696 -8.197 145 HG2 LYS 24 HG2 LYS 24 1.530 7.583 -5.660 146 HG3 LYS 24 HG3 LYS 24 1.559 8.413 -7.210 147 HD2 LYS 24 HD2 LYS 24 -0.905 8.659 -7.011 148 HD3 LYS 24 HD3 LYS 24 -0.873 7.893 -5.436 149 HE2 LYS 24 HE2 LYS 24 -0.908 10.332 -5.153 150 HE3 LYS 24 HE3 LYS 24 0.669 9.732 -4.628 151 HZ1 LYS 24 HZ1 LYS 24 0.118 10.921 -7.302 152 HZ2 LYS 24 HZ2 LYS 24 1.589 10.468 -6.769 153 HZ3 LYS 24 HZ3 LYS 24 0.836 11.722 -6.068 154 H SER 25 H SER 25 1.923 3.909 -6.886 155 HA SER 25 HA SER 25 1.257 2.285 -9.073 156 HB2 SER 25 HB2 SER 25 3.486 2.788 -8.183 157 HB3 SER 25 HB3 SER 25 3.153 1.898 -6.722 158 HG SER 25 HG SER 25 4.290 0.583 -7.923 159 H ALA 26 H ALA 26 1.175 1.362 -5.600 160 HA ALA 26 HA ALA 26 0.115 -1.245 -5.983 161 HB1 ALA 26 HB1 ALA 26 -0.263 -1.153 -3.537 162 HB2 ALA 26 HB2 ALA 26 1.331 -0.505 -3.966 163 HB3 ALA 26 HB3 ALA 26 0.006 0.600 -3.554 164 H PHE 27 H PHE 27 -1.684 1.705 -4.878 165 HA PHE 27 HA PHE 27 -4.120 0.240 -5.047 166 HB2 PHE 27 HB2 PHE 27 -3.321 2.640 -3.797 167 HB3 PHE 27 HB3 PHE 27 -4.681 3.042 -4.837 168 HD1 PHE 27 HD1 PHE 27 -3.552 0.360 -2.456 169 HD2 PHE 27 HD2 PHE 27 -6.872 2.657 -3.948 170 HE1 PHE 27 HE1 PHE 27 -5.082 -0.820 -0.881 171 HE2 PHE 27 HE2 PHE 27 -8.399 1.505 -2.324 172 HZ PHE 27 HZ PHE 27 -7.495 -0.257 -0.847 173 H SER 28 H SER 28 -2.672 2.449 -7.509 174 HA SER 28 HA SER 28 -4.955 2.157 -9.227 175 HB2 SER 28 HB2 SER 28 -3.608 2.898 -10.997 176 HB3 SER 28 HB3 SER 28 -3.257 3.856 -9.551 177 HG SER 28 HG SER 28 -1.349 2.901 -9.342 178 H CYS 29 H CYS 29 -1.941 0.127 -9.102 179 HA CYS 29 HA CYS 29 -2.732 -1.748 -10.999 180 HB2 CYS 29 HB2 CYS 29 -0.530 -1.662 -9.844 181 HB3 CYS 29 HB3 CYS 29 -1.232 -2.341 -8.399 182 H PHE 30 H PHE 30 -3.582 -1.827 -7.497 183 HA PHE 30 HA PHE 30 -5.437 -3.960 -7.596 184 HB2 PHE 30 HB2 PHE 30 -4.807 -3.296 -5.454 185 HB3 PHE 30 HB3 PHE 30 -5.011 -1.586 -5.805 186 HD1 PHE 30 HD1 PHE 30 -7.079 -4.721 -5.553 187 HD2 PHE 30 HD2 PHE 30 -6.913 -0.437 -5.081 188 HE1 PHE 30 HE1 PHE 30 -9.440 -4.704 -4.776 189 HE2 PHE 30 HE2 PHE 30 -9.290 -0.427 -4.357 190 HZ PHE 30 HZ PHE 30 -10.562 -2.563 -4.244 191 H HIS 31 H HIS 31 -6.144 -0.447 -8.094 192 HA HIS 31 HA HIS 31 -8.952 -0.686 -8.318 193 HB2 HIS 31 HB2 HIS 31 -7.734 1.492 -8.115 194 HB3 HIS 31 HB3 HIS 31 -7.039 1.247 -9.707 195 HD1 HIS 31 HD1 HIS 31 -8.299 2.447 -11.590 196 HD2 HIS 31 HD2 HIS 31 -10.711 1.430 -8.297 197 HE1 HIS 31 HE1 HIS 31 -10.625 3.359 -12.106 198 H TYR 32 H TYR 32 -6.492 -0.999 -10.869 199 HA TYR 32 HA TYR 32 -8.498 -1.770 -12.831 200 HB2 TYR 32 HB2 TYR 32 -5.483 -1.848 -12.999 201 HB3 TYR 32 HB3 TYR 32 -6.617 -1.952 -14.350 202 HD1 TYR 32 HD1 TYR 32 -8.550 0.122 -14.077 203 HD2 TYR 32 HD2 TYR 32 -4.410 0.249 -12.847 204 HE1 TYR 32 HE1 TYR 32 -8.616 2.605 -14.091 205 HE2 TYR 32 HE2 TYR 32 -4.475 2.731 -12.934 206 HH TYR 32 HH TYR 32 -7.485 4.540 -13.592 207 H SER 33 H SER 33 -6.870 -3.628 -10.432 208 HA SER 33 HA SER 33 -6.826 -6.167 -11.812 209 HB2 SER 33 HB2 SER 33 -5.433 -5.847 -9.844 210 HB3 SER 33 HB3 SER 33 -6.833 -5.479 -8.852 211 HG SER 33 HG SER 33 -6.587 -7.960 -10.220 212 H THR 34 H THR 34 -8.950 -5.106 -9.178 213 HA THR 34 HA THR 34 -10.942 -5.808 -8.399 214 HB THR 34 HB THR 34 -12.888 -5.983 -9.869 215 HG1 THR 34 HG1 THR 34 -12.177 -6.757 -11.754 216 HG21 THR 34 HG21 THR 34 -12.084 -3.787 -9.050 217 HG22 THR 34 HG22 THR 34 -12.840 -3.677 -10.647 218 HG23 THR 34 HG23 THR 34 -11.071 -3.621 -10.503 219 H GLU 35 H GLU 35 -9.166 -7.834 -8.182 220 HA GLU 35 HA GLU 35 -10.697 -10.291 -8.622 221 HB2 GLU 35 HB2 GLU 35 -8.358 -9.682 -6.783 222 HB3 GLU 35 HB3 GLU 35 -9.092 -11.265 -6.973 223 HG2 GLU 35 HG2 GLU 35 -7.645 -9.651 -9.081 224 HG3 GLU 35 HG3 GLU 35 -7.017 -11.055 -8.237 225 H GLU 36 H GLU 36 -9.713 -9.209 -5.439 226 HA GLU 36 HA GLU 36 -12.364 -8.901 -4.288 227 HB2 GLU 36 HB2 GLU 36 -12.029 -11.453 -4.764 228 HB3 GLU 36 HB3 GLU 36 -10.887 -11.445 -3.436 229 HG2 GLU 36 HG2 GLU 36 -12.574 -10.957 -1.843 230 HG3 GLU 36 HG3 GLU 36 -13.667 -10.324 -3.074 231 H ILE 37 H ILE 37 -9.055 -9.932 -3.511 232 HA ILE 37 HA ILE 37 -8.921 -8.385 -0.996 233 HB ILE 37 HB ILE 37 -7.047 -10.289 -2.432 234 HG12 ILE 37 HG12 ILE 37 -8.585 -10.386 0.202 235 HG13 ILE 37 HG13 ILE 37 -8.959 -11.271 -1.276 236 HG21 ILE 37 HG21 ILE 37 -6.388 -8.840 0.156 237 HG22 ILE 37 HG22 ILE 37 -5.455 -10.160 -0.571 238 HG23 ILE 37 HG23 ILE 37 -5.552 -8.641 -1.406 239 HD11 ILE 37 HD11 ILE 37 -6.597 -11.734 0.581 240 HD12 ILE 37 HD12 ILE 37 -7.953 -12.810 0.247 241 HD13 ILE 37 HD13 ILE 37 -6.754 -12.493 -1.025 242 H LYS 38 H LYS 38 -7.386 -6.604 -0.604 243 HA LYS 38 HA LYS 38 -6.865 -4.975 -2.873 244 HB2 LYS 38 HB2 LYS 38 -5.599 -4.881 -0.098 245 HB3 LYS 38 HB3 LYS 38 -5.414 -3.642 -1.333 246 HG2 LYS 38 HG2 LYS 38 -7.948 -4.379 0.160 247 HG3 LYS 38 HG3 LYS 38 -7.006 -2.867 0.194 248 HD2 LYS 38 HD2 LYS 38 -7.585 -2.515 -2.219 249 HD3 LYS 38 HD3 LYS 38 -8.601 -3.964 -2.182 250 HE2 LYS 38 HE2 LYS 38 -9.104 -1.686 -0.295 251 HE3 LYS 38 HE3 LYS 38 -9.698 -1.631 -1.963 252 HZ1 LYS 38 HZ1 LYS 38 -10.794 -3.808 -1.508 253 HZ2 LYS 38 HZ2 LYS 38 -11.427 -2.567 -0.656 254 HZ3 LYS 38 HZ3 LYS 38 -10.419 -3.651 0.075 255 H GLY 39 H GLY 39 -5.848 -6.048 -4.453 256 HA2 GLY 39 HA2 GLY 39 -3.958 -6.243 -5.747 257 HA3 GLY 39 HA3 GLY 39 -2.935 -5.922 -4.337 258 H SER 40 H SER 40 -5.308 -8.690 -4.603 259 HA SER 40 HA SER 40 -3.351 -10.705 -4.268 260 HB2 SER 40 HB2 SER 40 -5.742 -11.142 -4.142 261 HB3 SER 40 HB3 SER 40 -5.931 -10.784 -5.870 262 HG SER 40 HG SER 40 -5.800 -12.958 -5.658 263 H ASP 41 H ASP 41 -4.413 -9.107 -7.281 264 HA ASP 41 HA ASP 41 -2.460 -10.539 -8.941 265 HB2 ASP 41 HB2 ASP 41 -4.785 -9.792 -9.625 266 HB3 ASP 41 HB3 ASP 41 -4.172 -8.138 -9.636 267 H CYS 42 H CYS 42 -1.843 -8.189 -6.730 268 HA CYS 42 HA CYS 42 0.113 -6.667 -8.400 269 HB2 CYS 42 HB2 CYS 42 -2.250 -5.554 -6.861 270 HB3 CYS 42 HB3 CYS 42 -0.915 -4.549 -7.392 271 H VAL 43 H VAL 43 0.017 -8.478 -5.827 272 HA VAL 43 HA VAL 43 0.597 -6.966 -3.559 273 HB VAL 43 HB VAL 43 -0.032 -9.314 -3.559 274 HG11 VAL 43 HG11 VAL 43 2.818 -9.901 -4.391 275 HG12 VAL 43 HG12 VAL 43 1.562 -11.078 -3.935 276 HG13 VAL 43 HG13 VAL 43 1.368 -10.105 -5.401 277 HG21 VAL 43 HG21 VAL 43 0.962 -8.342 -1.530 278 HG22 VAL 43 HG22 VAL 43 1.310 -10.069 -1.693 279 HG23 VAL 43 HG23 VAL 43 2.577 -8.882 -2.062 280 H ASP 44 H ASP 44 2.921 -7.859 -6.120 281 HA ASP 44 HA ASP 44 5.257 -7.181 -4.682 282 HB2 ASP 44 HB2 ASP 44 4.999 -8.412 -6.904 283 HB3 ASP 44 HB3 ASP 44 4.892 -6.822 -7.672 284 H GLN 45 H GLN 45 2.941 -4.988 -6.284 285 HA GLN 45 HA GLN 45 4.553 -2.600 -5.943 286 HB2 GLN 45 HB2 GLN 45 1.597 -3.014 -6.442 287 HB3 GLN 45 HB3 GLN 45 2.373 -1.440 -6.260 288 HG2 GLN 45 HG2 GLN 45 2.145 -1.903 -8.585 289 HG3 GLN 45 HG3 GLN 45 3.838 -1.852 -8.160 290 HE21 GLN 45 HE21 GLN 45 1.164 -4.230 -8.707 291 HE22 GLN 45 HE22 GLN 45 2.255 -5.462 -9.337 292 H PHE 46 H PHE 46 1.942 -4.099 -3.918 293 HA PHE 46 HA PHE 46 2.112 -2.182 -1.780 294 HB2 PHE 46 HB2 PHE 46 1.364 -5.124 -1.773 295 HB3 PHE 46 HB3 PHE 46 1.177 -4.047 -0.400 296 HD1 PHE 46 HD1 PHE 46 -0.065 -4.538 -3.925 297 HD2 PHE 46 HD2 PHE 46 -0.792 -2.792 -0.041 298 HE1 PHE 46 HE1 PHE 46 -2.272 -3.675 -4.696 299 HE2 PHE 46 HE2 PHE 46 -2.969 -1.997 -0.786 300 HZ PHE 46 HZ PHE 46 -3.730 -2.408 -3.139 301 H ARG 47 H ARG 47 3.870 -5.254 -2.371 302 HA ARG 47 HA ARG 47 5.608 -5.126 -0.204 303 HB2 ARG 47 HB2 ARG 47 5.319 -6.997 -1.894 304 HB3 ARG 47 HB3 ARG 47 6.434 -6.110 -2.949 305 HG2 ARG 47 HG2 ARG 47 8.159 -6.184 -1.128 306 HG3 ARG 47 HG3 ARG 47 7.007 -7.052 -0.105 307 HD2 ARG 47 HD2 ARG 47 8.473 -8.695 -1.046 308 HD3 ARG 47 HD3 ARG 47 6.910 -8.873 -1.844 309 HE ARG 47 HE ARG 47 7.823 -8.154 -3.855 310 HH11 ARG 47 HH11 ARG 47 10.244 -7.682 -1.279 311 HH12 ARG 47 HH12 ARG 47 11.524 -7.308 -2.412 312 HH21 ARG 47 HH21 ARG 47 9.516 -7.665 -5.279 313 HH22 ARG 47 HH22 ARG 47 11.113 -7.302 -4.668 314 H ALA 48 H ALA 48 6.037 -3.515 -3.430 315 HA ALA 48 HA ALA 48 8.424 -2.181 -2.767 316 HB1 ALA 48 HB1 ALA 48 7.858 -0.591 -4.479 317 HB2 ALA 48 HB2 ALA 48 7.622 -2.279 -4.996 318 HB3 ALA 48 HB3 ALA 48 6.212 -1.259 -4.582 319 H MET 49 H MET 49 5.017 -1.095 -2.077 320 HA MET 49 HA MET 49 5.693 1.296 -0.776 321 HB2 MET 49 HB2 MET 49 3.341 0.457 -1.257 322 HB3 MET 49 HB3 MET 49 3.500 -0.575 0.166 323 HG2 MET 49 HG2 MET 49 2.398 1.266 1.016 324 HG3 MET 49 HG3 MET 49 4.069 1.586 1.467 325 HE1 MET 49 HE1 MET 49 3.780 4.281 1.859 326 HE2 MET 49 HE2 MET 49 2.691 5.219 0.825 327 HE3 MET 49 HE3 MET 49 2.055 3.847 1.762 328 H GLN 50 H GLN 50 5.489 -1.972 0.810 329 HA GLN 50 HA GLN 50 6.517 -1.073 3.304 330 HB2 GLN 50 HB2 GLN 50 6.569 -3.771 1.910 331 HB3 GLN 50 HB3 GLN 50 7.227 -3.534 3.522 332 HG2 GLN 50 HG2 GLN 50 4.342 -2.836 2.795 333 HG3 GLN 50 HG3 GLN 50 4.846 -4.411 3.410 334 HE21 GLN 50 HE21 GLN 50 6.161 -4.338 5.524 335 HE22 GLN 50 HE22 GLN 50 5.604 -3.160 6.727 336 H GLU 51 H GLU 51 8.275 -2.499 0.644 337 HA GLU 51 HA GLU 51 10.988 -2.400 1.551 338 HB2 GLU 51 HB2 GLU 51 10.023 -3.752 -0.249 339 HB3 GLU 51 HB3 GLU 51 9.641 -2.327 -1.168 340 HG2 GLU 51 HG2 GLU 51 11.565 -2.177 -2.168 341 HG3 GLU 51 HG3 GLU 51 12.521 -2.560 -0.703 342 H CYS 52 H CYS 52 9.016 0.125 0.098 343 HA CYS 52 HA CYS 52 11.246 2.044 0.196 344 HB2 CYS 52 HB2 CYS 52 9.557 2.187 -1.575 345 HB3 CYS 52 HB3 CYS 52 8.296 2.397 -0.371 346 H MET 53 H MET 53 8.368 1.270 2.278 347 HA MET 53 HA MET 53 8.604 3.767 3.699 348 HB2 MET 53 HB2 MET 53 6.975 1.259 4.175 349 HB3 MET 53 HB3 MET 53 7.028 2.562 5.368 350 HG2 MET 53 HG2 MET 53 6.370 4.178 3.548 351 HG3 MET 53 HG3 MET 53 6.033 2.802 2.517 352 HE1 MET 53 HE1 MET 53 3.168 1.024 4.727 353 HE2 MET 53 HE2 MET 53 4.348 0.768 3.423 354 HE3 MET 53 HE3 MET 53 4.886 0.836 5.111 355 H GLN 54 H GLN 54 9.918 0.604 4.181 356 HA GLN 54 HA GLN 54 11.204 0.858 6.621 357 HB2 GLN 54 HB2 GLN 54 12.610 -0.877 5.724 358 HB3 GLN 54 HB3 GLN 54 11.022 -1.068 5.092 359 HG2 GLN 54 HG2 GLN 54 12.382 -1.517 3.279 360 HG3 GLN 54 HG3 GLN 54 11.797 0.124 3.005 361 HE21 GLN 54 HE21 GLN 54 13.563 0.389 1.558 362 HE22 GLN 54 HE22 GLN 54 15.205 0.698 2.197 363 H LYS 55 H LYS 55 11.872 2.823 3.798 364 HA LYS 55 HA LYS 55 14.488 3.818 4.403 365 HB2 LYS 55 HB2 LYS 55 12.135 5.153 3.054 366 HB3 LYS 55 HB3 LYS 55 13.725 5.866 3.148 367 HG2 LYS 55 HG2 LYS 55 13.390 3.155 1.856 368 HG3 LYS 55 HG3 LYS 55 12.935 4.613 0.986 369 HD2 LYS 55 HD2 LYS 55 15.692 4.043 2.122 370 HD3 LYS 55 HD3 LYS 55 15.211 3.842 0.441 371 HE2 LYS 55 HE2 LYS 55 15.223 6.508 1.931 372 HE3 LYS 55 HE3 LYS 55 16.520 5.920 0.901 373 HZ1 LYS 55 HZ1 LYS 55 15.057 7.443 -0.278 374 HZ2 LYS 55 HZ2 LYS 55 13.760 6.500 -0.078 375 HZ3 LYS 55 HZ3 LYS 55 15.028 5.971 -0.996 376 H TYR 56 H TYR 56 11.394 4.667 5.859 377 HA TYR 56 HA TYR 56 12.689 6.829 7.480 378 HB2 TYR 56 HB2 TYR 56 10.307 7.215 5.654 379 HB3 TYR 56 HB3 TYR 56 10.813 8.311 6.932 380 HD1 TYR 56 HD1 TYR 56 13.090 9.366 6.888 381 HD2 TYR 56 HD2 TYR 56 11.484 7.198 3.532 382 HE1 TYR 56 HE1 TYR 56 14.689 10.489 5.413 383 HE2 TYR 56 HE2 TYR 56 13.002 8.436 1.995 384 HH TYR 56 HH TYR 56 14.900 9.758 1.891 385 HA PRO 57 HA PRO 57 9.858 4.652 10.165 386 HB2 PRO 57 HB2 PRO 57 10.577 5.671 12.616 387 HB3 PRO 57 HB3 PRO 57 11.618 4.556 11.684 388 HG2 PRO 57 HG2 PRO 57 11.762 7.589 11.777 389 HG3 PRO 57 HG3 PRO 57 13.101 6.412 11.962 390 HD2 PRO 57 HD2 PRO 57 12.530 7.678 9.608 391 HD3 PRO 57 HD3 PRO 57 13.130 5.995 9.650 392 H ASP 58 H ASP 58 9.906 8.203 10.505 393 HA ASP 58 HA ASP 58 7.073 8.287 11.285 394 HB2 ASP 58 HB2 ASP 58 8.184 7.411 13.224 395 HB3 ASP 58 HB3 ASP 58 9.223 8.855 13.219 396 H LEU 59 H LEU 59 7.517 9.468 9.305 397 HA LEU 59 HA LEU 59 8.648 12.201 9.655 398 HB2 LEU 59 HB2 LEU 59 10.424 10.870 9.131 399 HB3 LEU 59 HB3 LEU 59 9.563 9.789 8.106 400 HG LEU 59 HG LEU 59 11.407 11.055 7.139 401 HD11 LEU 59 HD11 LEU 59 8.815 11.492 5.642 402 HD12 LEU 59 HD12 LEU 59 9.801 10.002 5.657 403 HD13 LEU 59 HD13 LEU 59 10.452 11.486 4.965 404 HD21 LEU 59 HD21 LEU 59 11.314 13.259 6.512 405 HD22 LEU 59 HD22 LEU 59 10.725 13.244 8.204 406 HD23 LEU 59 HD23 LEU 59 9.575 13.384 6.842 407 H TYR 60 H TYR 60 6.032 10.407 8.543 408 HA TYR 60 HA TYR 60 4.943 12.378 6.673 409 HB2 TYR 60 HB2 TYR 60 4.934 10.831 4.723 410 HB3 TYR 60 HB3 TYR 60 6.531 11.388 5.174 411 HD1 TYR 60 HD1 TYR 60 7.850 9.795 6.814 412 HD2 TYR 60 HD2 TYR 60 4.800 8.510 4.130 413 HE1 TYR 60 HE1 TYR 60 8.524 7.566 7.306 414 HE2 TYR 60 HE2 TYR 60 5.699 6.210 4.279 415 HH TYR 60 HH TYR 60 8.337 5.311 6.578 416 H GLU 61 H GLU 61 -15.594 -0.427 2.227 417 HA GLU 61 HA GLU 61 -18.247 0.641 2.887 418 HB2 GLU 61 HB2 GLU 61 -16.274 -0.356 4.621 419 HB3 GLU 61 HB3 GLU 61 -16.028 1.376 4.660 420 HG2 GLU 61 HG2 GLU 61 -18.576 -0.167 5.306 421 HG3 GLU 61 HG3 GLU 61 -17.554 0.732 6.430 422 H HIS 62 H HIS 62 -17.614 3.077 3.734 423 HA HIS 62 HA HIS 62 -16.948 4.578 1.299 424 HB2 HIS 62 HB2 HIS 62 -17.882 5.438 4.067 425 HB3 HIS 62 HB3 HIS 62 -17.712 6.524 2.704 426 HD1 HIS 62 HD1 HIS 62 -19.952 3.560 3.776 427 HD2 HIS 62 HD2 HIS 62 -19.721 6.763 1.048 428 HE1 HIS 62 HE1 HIS 62 -22.263 3.790 2.744 429 H CYS 63 H CYS 63 -15.673 6.760 1.599 430 HA CYS 63 HA CYS 63 -13.094 6.503 2.658 431 HB2 CYS 63 HB2 CYS 63 -14.706 9.041 2.378 432 HB3 CYS 63 HB3 CYS 63 -12.963 8.935 2.592 433 H GLY 64 H GLY 64 -12.100 7.644 4.503 434 HA2 GLY 64 HA2 GLY 64 -11.909 7.868 6.846 435 HA3 GLY 64 HA3 GLY 64 -13.638 7.553 7.030 436 H HIS 65 H HIS 65 -14.083 5.148 5.928 437 HA HIS 65 HA HIS 65 -12.599 3.258 7.585 438 HB2 HIS 65 HB2 HIS 65 -14.893 2.984 5.630 439 HB3 HIS 65 HB3 HIS 65 -14.222 1.627 6.538 440 HD1 HIS 65 HD1 HIS 65 -17.150 3.520 6.818 441 HD2 HIS 65 HD2 HIS 65 -13.938 2.763 9.433 442 HE1 HIS 65 HE1 HIS 65 -17.974 4.117 9.166 443 H LEU 66 H LEU 66 -12.793 3.752 3.979 444 HA LEU 66 HA LEU 66 -11.323 1.473 3.402 445 HB2 LEU 66 HB2 LEU 66 -10.855 2.375 1.178 446 HB3 LEU 66 HB3 LEU 66 -12.525 2.562 1.711 447 HG LEU 66 HG LEU 66 -11.711 5.006 2.374 448 HD11 LEU 66 HD11 LEU 66 -10.070 5.909 0.816 449 HD12 LEU 66 HD12 LEU 66 -9.829 4.325 0.083 450 HD13 LEU 66 HD13 LEU 66 -9.307 4.638 1.753 451 HD21 LEU 66 HD21 LEU 66 -12.205 4.078 -0.490 452 HD22 LEU 66 HD22 LEU 66 -12.373 5.746 0.078 453 HD23 LEU 66 HD23 LEU 66 -13.452 4.484 0.700 454 H ILE 67 H ILE 67 -9.829 4.583 4.414 455 HA ILE 67 HA ILE 67 -7.182 3.630 3.958 456 HB ILE 67 HB ILE 67 -7.866 5.989 4.234 457 HG12 ILE 67 HG12 ILE 67 -5.496 5.156 5.933 458 HG13 ILE 67 HG13 ILE 67 -5.520 5.273 4.176 459 HG21 ILE 67 HG21 ILE 67 -8.097 6.997 6.397 460 HG22 ILE 67 HG22 ILE 67 -9.210 5.637 6.345 461 HG23 ILE 67 HG23 ILE 67 -7.679 5.492 7.236 462 HD11 ILE 67 HD11 ILE 67 -4.505 7.281 5.129 463 HD12 ILE 67 HD12 ILE 67 -6.036 7.706 4.339 464 HD13 ILE 67 HD13 ILE 67 -5.929 7.594 6.114 465 H GLU 68 H GLU 68 -9.272 3.171 6.845 466 HA GLU 68 HA GLU 68 -7.234 1.783 8.334 467 HB2 GLU 68 HB2 GLU 68 -10.267 1.509 8.492 468 HB3 GLU 68 HB3 GLU 68 -9.104 0.834 9.634 469 HG2 GLU 68 HG2 GLU 68 -8.260 3.176 10.073 470 HG3 GLU 68 HG3 GLU 68 -9.597 3.790 9.096 471 H ALA 69 H ALA 69 -9.514 0.641 5.807 472 HA ALA 69 HA ALA 69 -8.506 -2.055 5.872 473 HB1 ALA 69 HB1 ALA 69 -9.703 -2.279 3.726 474 HB2 ALA 69 HB2 ALA 69 -10.695 -1.557 5.007 475 HB3 ALA 69 HB3 ALA 69 -10.021 -0.531 3.733 476 H HIS 70 H HIS 70 -7.399 0.827 3.993 477 HA HIS 70 HA HIS 70 -5.368 -0.427 2.468 478 HB2 HIS 70 HB2 HIS 70 -5.130 2.283 3.868 479 HB3 HIS 70 HB3 HIS 70 -4.122 1.691 2.580 480 HD1 HIS 70 HD1 HIS 70 -7.384 0.910 1.200 481 HD2 HIS 70 HD2 HIS 70 -5.240 4.461 1.947 482 HE1 HIS 70 HE1 HIS 70 -8.260 2.720 -0.374 483 H LYS 71 H LYS 71 -5.138 0.968 5.761 484 HA LYS 71 HA LYS 71 -2.509 0.059 6.303 485 HB2 LYS 71 HB2 LYS 71 -3.662 1.943 7.451 486 HB3 LYS 71 HB3 LYS 71 -4.669 0.776 8.303 487 HG2 LYS 71 HG2 LYS 71 -2.864 1.510 9.736 488 HG3 LYS 71 HG3 LYS 71 -2.644 -0.202 9.357 489 HD2 LYS 71 HD2 LYS 71 -0.807 0.274 7.854 490 HD3 LYS 71 HD3 LYS 71 -1.166 2.009 7.891 491 HE2 LYS 71 HE2 LYS 71 0.737 1.660 9.293 492 HE3 LYS 71 HE3 LYS 71 -0.630 2.057 10.332 493 HZ1 LYS 71 HZ1 LYS 71 -0.824 -0.356 10.832 494 HZ2 LYS 71 HZ2 LYS 71 0.634 0.241 11.236 495 HZ3 LYS 71 HZ3 LYS 71 0.510 -0.650 9.880 496 H GLU 72 H GLU 72 -5.641 -1.468 7.314 497 HA GLU 72 HA GLU 72 -4.499 -3.691 8.607 498 HB2 GLU 72 HB2 GLU 72 -6.864 -3.206 8.742 499 HB3 GLU 72 HB3 GLU 72 -7.083 -3.504 7.007 500 HG2 GLU 72 HG2 GLU 72 -6.558 -5.878 7.301 501 HG3 GLU 72 HG3 GLU 72 -6.146 -5.610 8.995 502 H SER 73 H SER 73 -5.156 -3.307 5.095 503 HA SER 73 HA SER 73 -4.355 -5.974 4.388 504 HB2 SER 73 HB2 SER 73 -4.355 -3.483 2.639 505 HB3 SER 73 HB3 SER 73 -4.317 -5.169 2.092 506 HG SER 73 HG SER 73 -6.402 -3.766 3.407 507 H MET 74 H MET 74 -2.478 -2.842 4.172 508 HA MET 74 HA MET 74 -0.110 -4.219 3.384 509 HB2 MET 74 HB2 MET 74 1.041 -2.185 3.558 510 HB3 MET 74 HB3 MET 74 -0.582 -1.824 2.954 511 HG2 MET 74 HG2 MET 74 -1.217 -1.153 5.288 512 HG3 MET 74 HG3 MET 74 0.430 -1.474 5.817 513 HE1 MET 74 HE1 MET 74 -1.980 1.162 4.170 514 HE2 MET 74 HE2 MET 74 -0.860 2.067 3.133 515 HE3 MET 74 HE3 MET 74 -1.247 0.376 2.750 516 H ARG 75 H ARG 75 -1.274 -3.426 6.664 517 HA ARG 75 HA ARG 75 1.005 -4.430 8.056 518 HB2 ARG 75 HB2 ARG 75 -0.741 -3.017 9.042 519 HB3 ARG 75 HB3 ARG 75 -1.917 -4.335 8.901 520 HG2 ARG 75 HG2 ARG 75 -0.625 -5.698 10.487 521 HG3 ARG 75 HG3 ARG 75 0.648 -4.457 10.550 522 HD2 ARG 75 HD2 ARG 75 -0.958 -2.834 11.477 523 HD3 ARG 75 HD3 ARG 75 -2.259 -4.039 11.376 524 HE ARG 75 HE ARG 75 -0.304 -5.281 12.875 525 HH11 ARG 75 HH11 ARG 75 -2.120 -2.231 13.229 526 HH12 ARG 75 HH12 ARG 75 -2.045 -2.269 14.976 527 HH21 ARG 75 HH21 ARG 75 -0.239 -5.292 15.140 528 HH22 ARG 75 HH22 ARG 75 -0.988 -4.002 16.056 529 H ALA 76 H ALA 76 -1.986 -6.139 6.945 530 HA ALA 76 HA ALA 76 -1.255 -8.719 7.831 531 HB1 ALA 76 HB1 ALA 76 -2.821 -9.522 6.117 532 HB2 ALA 76 HB2 ALA 76 -3.487 -8.121 6.976 533 HB3 ALA 76 HB3 ALA 76 -2.829 -7.931 5.340 534 H LEU 77 H LEU 77 -0.378 -7.090 4.710 535 HA LEU 77 HA LEU 77 1.301 -9.146 3.748 536 HB2 LEU 77 HB2 LEU 77 0.425 -6.863 2.735 537 HB3 LEU 77 HB3 LEU 77 1.959 -6.228 3.315 538 HG LEU 77 HG LEU 77 1.524 -8.493 1.315 539 HD11 LEU 77 HD11 LEU 77 2.530 -6.884 -0.273 540 HD12 LEU 77 HD12 LEU 77 2.635 -5.671 1.022 541 HD13 LEU 77 HD13 LEU 77 1.046 -6.259 0.463 542 HD21 LEU 77 HD21 LEU 77 4.130 -7.329 2.376 543 HD22 LEU 77 HD22 LEU 77 3.996 -8.302 0.890 544 HD23 LEU 77 HD23 LEU 77 3.573 -9.023 2.436 545 H GLY 78 H GLY 78 2.225 -6.332 5.815 546 HA2 GLY 78 HA2 GLY 78 4.951 -6.963 6.202 547 HA3 GLY 78 HA3 GLY 78 3.937 -6.042 7.323 548 H PHE 79 H PHE 79 2.137 -8.162 7.953 549 HA PHE 79 HA PHE 79 3.524 -9.845 9.855 550 HB2 PHE 79 HB2 PHE 79 1.344 -9.084 10.384 551 HB3 PHE 79 HB3 PHE 79 0.691 -9.573 8.837 552 HD1 PHE 79 HD1 PHE 79 2.123 -11.012 11.986 553 HD2 PHE 79 HD2 PHE 79 -0.433 -11.613 8.570 554 HE1 PHE 79 HE1 PHE 79 1.283 -13.130 12.990 555 HE2 PHE 79 HE2 PHE 79 -1.264 -13.730 9.565 556 HZ PHE 79 HZ PHE 79 -0.413 -14.490 11.774 557 H LYS 80 H LYS 80 2.197 -10.496 6.587 558 HA LYS 80 HA LYS 80 2.795 -13.308 6.573 559 HB2 LYS 80 HB2 LYS 80 2.263 -11.227 4.434 560 HB3 LYS 80 HB3 LYS 80 2.768 -12.842 3.974 561 HG2 LYS 80 HG2 LYS 80 0.421 -12.474 5.868 562 HG3 LYS 80 HG3 LYS 80 0.218 -12.274 4.122 563 HD2 LYS 80 HD2 LYS 80 1.039 -14.524 3.689 564 HD3 LYS 80 HD3 LYS 80 1.392 -14.772 5.412 565 HE2 LYS 80 HE2 LYS 80 -0.931 -14.682 6.003 566 HE3 LYS 80 HE3 LYS 80 -1.401 -14.128 4.392 567 HZ1 LYS 80 HZ1 LYS 80 -0.905 -16.227 3.479 568 HZ2 LYS 80 HZ2 LYS 80 -1.744 -16.550 4.850 569 HZ3 LYS 80 HZ3 LYS 80 -0.102 -16.756 4.816 570 H ILE 81 H ILE 81 4.791 -10.538 5.497 571 HA ILE 81 HA ILE 81 7.147 -12.397 5.449 572 HB ILE 81 HB ILE 81 8.166 -10.909 3.782 573 HG12 ILE 81 HG12 ILE 81 5.428 -9.612 3.547 574 HG13 ILE 81 HG13 ILE 81 6.795 -8.838 4.329 575 HG21 ILE 81 HG21 ILE 81 6.908 -13.000 3.234 576 HG22 ILE 81 HG22 ILE 81 5.466 -12.018 2.914 577 HG23 ILE 81 HG23 ILE 81 6.924 -11.826 1.920 578 HD11 ILE 81 HD11 ILE 81 8.057 -8.977 2.154 579 HD12 ILE 81 HD12 ILE 81 6.575 -9.598 1.389 580 HD13 ILE 81 HD13 ILE 81 6.598 -7.976 2.097 Start of MODEL 4 1 H ASN 1 H ASN 1 -8.284 5.872 -16.785 2 HA ASN 1 HA ASN 1 -7.844 3.001 -16.778 3 HB2 ASN 1 HB2 ASN 1 -5.876 3.212 -15.539 4 HB3 ASN 1 HB3 ASN 1 -5.746 4.298 -16.920 5 HD21 ASN 1 HD21 ASN 1 -6.061 6.652 -16.548 6 HD22 ASN 1 HD22 ASN 1 -6.338 7.219 -14.924 7 H GLY 2 H GLY 2 -9.400 5.565 -15.056 8 HA2 GLY 2 HA2 GLY 2 -11.192 4.976 -13.496 9 HA3 GLY 2 HA3 GLY 2 -10.221 3.625 -12.919 10 H ASN 3 H ASN 3 -7.811 4.809 -12.371 11 HA ASN 3 HA ASN 3 -6.454 6.407 -11.629 12 HB2 ASN 3 HB2 ASN 3 -8.125 7.700 -13.363 13 HB3 ASN 3 HB3 ASN 3 -8.231 8.749 -11.975 14 HD21 ASN 3 HD21 ASN 3 -5.698 8.676 -10.905 15 HD22 ASN 3 HD22 ASN 3 -4.482 8.997 -12.148 16 H ILE 4 H ILE 4 -9.178 5.962 -9.851 17 HA ILE 4 HA ILE 4 -9.531 5.949 -7.594 18 HB ILE 4 HB ILE 4 -6.591 6.709 -7.529 19 HG12 ILE 4 HG12 ILE 4 -6.576 4.557 -6.103 20 HG13 ILE 4 HG13 ILE 4 -8.191 4.244 -6.703 21 HG21 ILE 4 HG21 ILE 4 -7.362 7.911 -5.653 22 HG22 ILE 4 HG22 ILE 4 -8.487 6.601 -5.165 23 HG23 ILE 4 HG23 ILE 4 -6.728 6.411 -5.053 24 HD11 ILE 4 HD11 ILE 4 -5.609 4.607 -8.305 25 HD12 ILE 4 HD12 ILE 4 -6.425 3.073 -7.964 26 HD13 ILE 4 HD13 ILE 4 -7.199 4.240 -9.045 27 H ASN 5 H ASN 5 -7.890 8.917 -8.415 28 HA ASN 5 HA ASN 5 -8.182 11.081 -7.884 29 HB2 ASN 5 HB2 ASN 5 -10.609 10.605 -8.436 30 HB3 ASN 5 HB3 ASN 5 -10.915 10.589 -6.698 31 HD21 ASN 5 HD21 ASN 5 -11.235 12.642 -9.209 32 HD22 ASN 5 HD22 ASN 5 -10.646 14.137 -8.472 33 H TRP 6 H TRP 6 -6.624 11.365 -6.584 34 HA TRP 6 HA TRP 6 -6.327 10.076 -3.989 35 HB2 TRP 6 HB2 TRP 6 -4.406 11.972 -5.359 36 HB3 TRP 6 HB3 TRP 6 -4.047 10.754 -4.137 37 HD1 TRP 6 HD1 TRP 6 -3.705 11.282 -7.622 38 HE1 TRP 6 HE1 TRP 6 -3.277 9.100 -8.960 39 HE3 TRP 6 HE3 TRP 6 -4.662 8.023 -3.934 40 HZ2 TRP 6 HZ2 TRP 6 -3.109 6.289 -8.304 41 HZ3 TRP 6 HZ3 TRP 6 -4.279 5.610 -4.254 42 HH2 TRP 6 HH2 TRP 6 -3.604 4.699 -6.463 43 H ASN 7 H ASN 7 -8.232 12.326 -4.177 44 HA ASN 7 HA ASN 7 -7.197 14.438 -2.300 45 HB2 ASN 7 HB2 ASN 7 -8.120 14.862 -4.608 46 HB3 ASN 7 HB3 ASN 7 -9.701 14.472 -3.944 47 HD21 ASN 7 HD21 ASN 7 -10.456 15.838 -2.134 48 HD22 ASN 7 HD22 ASN 7 -9.567 17.309 -1.720 49 H SER 8 H SER 8 -8.700 15.222 -0.721 50 HA SER 8 HA SER 8 -9.656 15.078 1.302 51 HB2 SER 8 HB2 SER 8 -11.584 14.065 0.271 52 HB3 SER 8 HB3 SER 8 -10.844 12.468 0.402 53 HG SER 8 HG SER 8 -11.801 14.164 2.465 54 HA PRO 9 HA PRO 9 -6.405 13.312 3.538 55 HB2 PRO 9 HB2 PRO 9 -8.090 13.337 6.035 56 HB3 PRO 9 HB3 PRO 9 -6.484 14.078 5.748 57 HG2 PRO 9 HG2 PRO 9 -8.702 15.617 5.746 58 HG3 PRO 9 HG3 PRO 9 -7.469 15.852 4.460 59 HD2 PRO 9 HD2 PRO 9 -10.021 14.203 4.330 60 HD3 PRO 9 HD3 PRO 9 -9.448 15.479 3.224 61 H CYS 10 H CYS 10 -8.492 11.201 2.677 62 HA CYS 10 HA CYS 10 -8.074 9.110 4.736 63 HB2 CYS 10 HB2 CYS 10 -10.013 8.941 2.430 64 HB3 CYS 10 HB3 CYS 10 -10.051 8.116 3.988 65 H LEU 11 H LEU 11 -8.752 7.859 1.590 66 HA LEU 11 HA LEU 11 -6.295 6.525 1.116 67 HB2 LEU 11 HB2 LEU 11 -8.540 6.185 0.075 68 HB3 LEU 11 HB3 LEU 11 -8.306 7.637 -0.891 69 HG LEU 11 HG LEU 11 -6.853 4.947 -1.023 70 HD11 LEU 11 HD11 LEU 11 -8.793 6.411 -2.858 71 HD12 LEU 11 HD12 LEU 11 -9.123 4.941 -1.915 72 HD13 LEU 11 HD13 LEU 11 -7.969 4.888 -3.248 73 HD21 LEU 11 HD21 LEU 11 -5.230 6.607 -1.701 74 HD22 LEU 11 HD22 LEU 11 -6.472 7.480 -2.661 75 HD23 LEU 11 HD23 LEU 11 -5.935 5.843 -3.110 76 H GLY 12 H GLY 12 -7.321 9.833 0.091 77 HA2 GLY 12 HA2 GLY 12 -4.943 10.588 -1.253 78 HA3 GLY 12 HA3 GLY 12 -6.081 11.689 -0.464 79 H GLY 13 H GLY 13 -5.593 10.525 2.236 80 HA2 GLY 13 HA2 GLY 13 -3.237 11.937 3.112 81 HA3 GLY 13 HA3 GLY 13 -4.211 10.805 4.064 82 H MET 14 H MET 14 -3.905 8.465 2.579 83 HA MET 14 HA MET 14 -1.271 7.465 3.269 84 HB2 MET 14 HB2 MET 14 -3.284 6.223 1.365 85 HB3 MET 14 HB3 MET 14 -1.977 5.422 2.229 86 HG2 MET 14 HG2 MET 14 -4.404 6.699 3.523 87 HG3 MET 14 HG3 MET 14 -4.244 5.017 3.096 88 HE1 MET 14 HE1 MET 14 -1.305 4.151 4.052 89 HE2 MET 14 HE2 MET 14 -1.671 3.652 5.714 90 HE3 MET 14 HE3 MET 14 -2.801 3.250 4.405 91 H ALA 15 H ALA 15 -2.840 8.297 0.193 92 HA ALA 15 HA ALA 15 -0.582 7.705 -1.446 93 HB1 ALA 15 HB1 ALA 15 -3.001 9.419 -2.157 94 HB2 ALA 15 HB2 ALA 15 -1.941 8.538 -3.254 95 HB3 ALA 15 HB3 ALA 15 -2.967 7.637 -2.157 96 H SER 16 H SER 16 -1.043 10.408 0.542 97 HA SER 16 HA SER 16 1.041 12.034 -0.833 98 HB2 SER 16 HB2 SER 16 -0.371 12.495 1.820 99 HB3 SER 16 HB3 SER 16 0.701 13.627 0.979 100 HG SER 16 HG SER 16 -1.918 12.800 0.371 101 H GLY 17 H GLY 17 3.203 11.735 -0.353 102 HA2 GLY 17 HA2 GLY 17 4.402 11.783 2.111 103 HA3 GLY 17 HA3 GLY 17 3.983 10.096 1.953 104 HA PRO 18 HA PRO 18 8.388 10.794 0.185 105 HB2 PRO 18 HB2 PRO 18 8.662 8.656 2.292 106 HB3 PRO 18 HB3 PRO 18 9.841 9.906 1.796 107 HG2 PRO 18 HG2 PRO 18 8.310 10.131 4.029 108 HG3 PRO 18 HG3 PRO 18 8.698 11.578 3.036 109 HD2 PRO 18 HD2 PRO 18 6.180 9.961 3.273 110 HD3 PRO 18 HD3 PRO 18 6.400 11.714 3.007 111 H CYS 19 H CYS 19 6.454 8.013 1.148 112 HA CYS 19 HA CYS 19 7.207 6.496 -1.319 113 HB2 CYS 19 HB2 CYS 19 6.028 5.497 1.278 114 HB3 CYS 19 HB3 CYS 19 6.540 4.499 -0.067 115 H GLY 20 H GLY 20 5.042 8.681 -0.842 116 HA2 GLY 20 HA2 GLY 20 2.451 7.548 -0.793 117 HA3 GLY 20 HA3 GLY 20 2.881 9.105 -1.525 118 H GLU 21 H GLU 21 4.604 8.182 -3.536 119 HA GLU 21 HA GLU 21 2.933 7.426 -5.717 120 HB2 GLU 21 HB2 GLU 21 4.949 7.431 -6.866 121 HB3 GLU 21 HB3 GLU 21 5.201 8.626 -5.619 122 HG2 GLU 21 HG2 GLU 21 6.323 6.589 -4.338 123 HG3 GLU 21 HG3 GLU 21 6.357 5.839 -5.921 124 H GLN 22 H GLN 22 4.821 5.333 -3.490 125 HA GLN 22 HA GLN 22 4.302 2.934 -4.968 126 HB2 GLN 22 HB2 GLN 22 4.624 2.949 -1.979 127 HB3 GLN 22 HB3 GLN 22 5.120 1.747 -3.162 128 HG2 GLN 22 HG2 GLN 22 6.422 4.389 -2.533 129 HG3 GLN 22 HG3 GLN 22 7.002 2.807 -2.162 130 HE21 GLN 22 HE21 GLN 22 8.460 4.860 -3.479 131 HE22 GLN 22 HE22 GLN 22 8.700 4.413 -5.166 132 H PHE 23 H PHE 23 2.434 4.647 -2.378 133 HA PHE 23 HA PHE 23 0.248 2.810 -2.384 134 HB2 PHE 23 HB2 PHE 23 0.664 4.922 -0.837 135 HB3 PHE 23 HB3 PHE 23 -0.205 5.768 -2.091 136 HD1 PHE 23 HD1 PHE 23 -2.601 5.131 -2.654 137 HD2 PHE 23 HD2 PHE 23 -0.508 3.505 0.742 138 HE1 PHE 23 HE1 PHE 23 -4.726 4.205 -1.767 139 HE2 PHE 23 HE2 PHE 23 -2.633 2.649 1.649 140 HZ PHE 23 HZ PHE 23 -4.742 2.923 0.336 141 H LYS 24 H LYS 24 0.872 5.704 -4.457 142 HA LYS 24 HA LYS 24 -1.452 5.580 -6.030 143 HB2 LYS 24 HB2 LYS 24 1.253 6.283 -7.162 144 HB3 LYS 24 HB3 LYS 24 -0.234 6.783 -7.770 145 HG2 LYS 24 HG2 LYS 24 0.791 7.743 -5.077 146 HG3 LYS 24 HG3 LYS 24 0.998 8.586 -6.618 147 HD2 LYS 24 HD2 LYS 24 -1.464 8.583 -6.884 148 HD3 LYS 24 HD3 LYS 24 -1.637 7.835 -5.328 149 HE2 LYS 24 HE2 LYS 24 -2.115 10.200 -5.125 150 HE3 LYS 24 HE3 LYS 24 -0.644 9.827 -4.236 151 HZ1 LYS 24 HZ1 LYS 24 0.653 10.817 -5.898 152 HZ2 LYS 24 HZ2 LYS 24 -0.521 11.870 -5.502 153 HZ3 LYS 24 HZ3 LYS 24 -0.649 11.096 -6.928 154 H SER 25 H SER 25 1.624 4.062 -6.642 155 HA SER 25 HA SER 25 0.962 2.519 -8.895 156 HB2 SER 25 HB2 SER 25 3.206 3.117 -8.110 157 HB3 SER 25 HB3 SER 25 3.046 2.092 -6.697 158 HG SER 25 HG SER 25 4.201 1.123 -8.455 159 H ALA 26 H ALA 26 0.854 1.538 -5.433 160 HA ALA 26 HA ALA 26 -0.039 -1.131 -5.906 161 HB1 ALA 26 HB1 ALA 26 -0.324 0.655 -3.451 162 HB2 ALA 26 HB2 ALA 26 -0.547 -1.102 -3.481 163 HB3 ALA 26 HB3 ALA 26 1.047 -0.408 -3.824 164 H PHE 27 H PHE 27 -2.040 1.721 -4.848 165 HA PHE 27 HA PHE 27 -4.411 0.166 -5.114 166 HB2 PHE 27 HB2 PHE 27 -3.768 2.634 -3.922 167 HB3 PHE 27 HB3 PHE 27 -5.017 2.992 -5.101 168 HD1 PHE 27 HD1 PHE 27 -4.224 0.229 -2.667 169 HD2 PHE 27 HD2 PHE 27 -7.229 2.944 -4.154 170 HE1 PHE 27 HE1 PHE 27 -5.900 -0.775 -1.126 171 HE2 PHE 27 HE2 PHE 27 -8.881 1.983 -2.537 172 HZ PHE 27 HZ PHE 27 -8.232 0.085 -1.103 173 H SER 28 H SER 28 -2.933 2.436 -7.508 174 HA SER 28 HA SER 28 -5.025 1.997 -9.437 175 HB2 SER 28 HB2 SER 28 -3.468 2.728 -11.096 176 HB3 SER 28 HB3 SER 28 -3.412 3.771 -9.663 177 HG SER 28 HG SER 28 -1.508 2.984 -9.103 178 H CYS 29 H CYS 29 -1.924 0.079 -9.042 179 HA CYS 29 HA CYS 29 -2.614 -1.811 -10.978 180 HB2 CYS 29 HB2 CYS 29 -0.463 -1.550 -9.786 181 HB3 CYS 29 HB3 CYS 29 -1.125 -2.338 -8.369 182 H PHE 30 H PHE 30 -3.644 -1.843 -7.512 183 HA PHE 30 HA PHE 30 -5.347 -4.102 -7.667 184 HB2 PHE 30 HB2 PHE 30 -4.835 -3.276 -5.529 185 HB3 PHE 30 HB3 PHE 30 -5.271 -1.629 -5.952 186 HD1 PHE 30 HD1 PHE 30 -6.889 -5.025 -5.686 187 HD2 PHE 30 HD2 PHE 30 -7.315 -0.751 -5.252 188 HE1 PHE 30 HE1 PHE 30 -9.230 -5.324 -4.906 189 HE2 PHE 30 HE2 PHE 30 -9.656 -1.062 -4.493 190 HZ PHE 30 HZ PHE 30 -10.626 -3.352 -4.353 191 H HIS 31 H HIS 31 -6.257 -0.659 -8.327 192 HA HIS 31 HA HIS 31 -8.960 -1.164 -9.031 193 HB2 HIS 31 HB2 HIS 31 -7.765 1.069 -8.591 194 HB3 HIS 31 HB3 HIS 31 -7.171 0.984 -10.240 195 HD1 HIS 31 HD1 HIS 31 -9.797 0.229 -11.824 196 HD2 HIS 31 HD2 HIS 31 -9.592 2.907 -8.585 197 HE1 HIS 31 HE1 HIS 31 -11.816 1.767 -12.034 198 H TYR 32 H TYR 32 -6.014 -1.407 -10.973 199 HA TYR 32 HA TYR 32 -7.352 -2.048 -13.467 200 HB2 TYR 32 HB2 TYR 32 -4.484 -2.538 -12.621 201 HB3 TYR 32 HB3 TYR 32 -5.096 -2.584 -14.258 202 HD1 TYR 32 HD1 TYR 32 -6.662 0.327 -12.883 203 HD2 TYR 32 HD2 TYR 32 -2.789 -1.198 -14.058 204 HE1 TYR 32 HE1 TYR 32 -5.825 2.620 -13.111 205 HE2 TYR 32 HE2 TYR 32 -1.965 1.138 -14.296 206 HH TYR 32 HH TYR 32 -2.488 3.372 -14.128 207 H SER 33 H SER 33 -6.630 -3.856 -10.661 208 HA SER 33 HA SER 33 -6.591 -6.504 -11.950 209 HB2 SER 33 HB2 SER 33 -5.040 -5.979 -10.013 210 HB3 SER 33 HB3 SER 33 -6.454 -5.805 -8.989 211 HG SER 33 HG SER 33 -5.916 -8.133 -10.533 212 H THR 34 H THR 34 -8.457 -5.217 -9.182 213 HA THR 34 HA THR 34 -10.478 -5.762 -8.297 214 HB THR 34 HB THR 34 -12.473 -5.793 -9.771 215 HG1 THR 34 HG1 THR 34 -10.552 -6.256 -11.625 216 HG21 THR 34 HG21 THR 34 -10.480 -3.579 -10.386 217 HG22 THR 34 HG22 THR 34 -11.535 -3.660 -8.959 218 HG23 THR 34 HG23 THR 34 -12.246 -3.501 -10.575 219 H GLU 35 H GLU 35 -8.732 -7.982 -8.603 220 HA GLU 35 HA GLU 35 -10.132 -10.323 -9.537 221 HB2 GLU 35 HB2 GLU 35 -7.584 -9.775 -8.043 222 HB3 GLU 35 HB3 GLU 35 -8.262 -11.397 -7.949 223 HG2 GLU 35 HG2 GLU 35 -8.355 -11.421 -10.480 224 HG3 GLU 35 HG3 GLU 35 -7.416 -9.926 -10.458 225 H GLU 36 H GLU 36 -9.214 -9.554 -6.172 226 HA GLU 36 HA GLU 36 -11.498 -10.977 -5.012 227 HB2 GLU 36 HB2 GLU 36 -10.041 -12.819 -5.989 228 HB3 GLU 36 HB3 GLU 36 -8.731 -12.297 -4.928 229 HG2 GLU 36 HG2 GLU 36 -10.229 -12.730 -2.954 230 HG3 GLU 36 HG3 GLU 36 -11.475 -13.283 -4.070 231 H ILE 37 H ILE 37 -8.196 -9.853 -4.620 232 HA ILE 37 HA ILE 37 -8.610 -9.028 -1.754 233 HB ILE 37 HB ILE 37 -6.646 -10.905 -3.005 234 HG12 ILE 37 HG12 ILE 37 -7.667 -11.230 -0.222 235 HG13 ILE 37 HG13 ILE 37 -8.811 -11.458 -1.539 236 HG21 ILE 37 HG21 ILE 37 -5.064 -9.419 -2.002 237 HG22 ILE 37 HG22 ILE 37 -5.988 -9.378 -0.473 238 HG23 ILE 37 HG23 ILE 37 -5.183 -10.857 -1.007 239 HD11 ILE 37 HD11 ILE 37 -7.327 -13.149 -2.566 240 HD12 ILE 37 HD12 ILE 37 -6.196 -12.960 -1.204 241 HD13 ILE 37 HD13 ILE 37 -7.830 -13.594 -0.925 242 H LYS 38 H LYS 38 -7.230 -7.243 -1.065 243 HA LYS 38 HA LYS 38 -6.255 -5.428 -3.050 244 HB2 LYS 38 HB2 LYS 38 -5.454 -5.696 -0.117 245 HB3 LYS 38 HB3 LYS 38 -5.088 -4.330 -1.165 246 HG2 LYS 38 HG2 LYS 38 -7.774 -5.164 -0.052 247 HG3 LYS 38 HG3 LYS 38 -6.887 -3.646 0.163 248 HD2 LYS 38 HD2 LYS 38 -7.203 -3.252 -2.350 249 HD3 LYS 38 HD3 LYS 38 -8.322 -4.625 -2.333 250 HE2 LYS 38 HE2 LYS 38 -8.599 -2.066 -0.723 251 HE3 LYS 38 HE3 LYS 38 -9.464 -2.443 -2.210 252 HZ1 LYS 38 HZ1 LYS 38 -10.904 -2.958 -0.441 253 HZ2 LYS 38 HZ2 LYS 38 -9.795 -3.777 0.411 254 HZ3 LYS 38 HZ3 LYS 38 -10.382 -4.430 -0.979 255 H GLY 39 H GLY 39 -4.941 -6.480 -4.582 256 HA2 GLY 39 HA2 GLY 39 -2.717 -6.588 -5.318 257 HA3 GLY 39 HA3 GLY 39 -2.137 -6.823 -3.678 258 H SER 40 H SER 40 -4.738 -9.053 -4.623 259 HA SER 40 HA SER 40 -3.052 -11.325 -4.655 260 HB2 SER 40 HB2 SER 40 -4.943 -12.490 -5.780 261 HB3 SER 40 HB3 SER 40 -5.375 -11.619 -4.343 262 HG SER 40 HG SER 40 -5.958 -11.076 -7.041 263 H ASP 41 H ASP 41 -3.623 -9.064 -7.252 264 HA ASP 41 HA ASP 41 -1.733 -10.658 -8.927 265 HB2 ASP 41 HB2 ASP 41 -4.186 -10.156 -9.689 266 HB3 ASP 41 HB3 ASP 41 -3.577 -8.539 -10.010 267 H CYS 42 H CYS 42 -1.349 -8.341 -6.818 268 HA CYS 42 HA CYS 42 0.414 -6.568 -8.420 269 HB2 CYS 42 HB2 CYS 42 -2.190 -5.750 -7.105 270 HB3 CYS 42 HB3 CYS 42 -0.916 -4.577 -7.393 271 H VAL 43 H VAL 43 0.365 -8.368 -5.766 272 HA VAL 43 HA VAL 43 0.926 -6.748 -3.578 273 HB VAL 43 HB VAL 43 0.613 -9.008 -3.164 274 HG11 VAL 43 HG11 VAL 43 1.375 -9.994 -5.249 275 HG12 VAL 43 HG12 VAL 43 3.071 -9.627 -4.841 276 HG13 VAL 43 HG13 VAL 43 2.133 -10.802 -3.890 277 HG21 VAL 43 HG21 VAL 43 2.232 -7.860 -1.628 278 HG22 VAL 43 HG22 VAL 43 2.421 -9.617 -1.698 279 HG23 VAL 43 HG23 VAL 43 3.574 -8.562 -2.541 280 H ASP 44 H ASP 44 3.241 -7.465 -6.221 281 HA ASP 44 HA ASP 44 5.570 -6.717 -4.874 282 HB2 ASP 44 HB2 ASP 44 5.358 -7.783 -7.132 283 HB3 ASP 44 HB3 ASP 44 4.936 -6.203 -7.797 284 H GLN 45 H GLN 45 3.072 -4.583 -6.083 285 HA GLN 45 HA GLN 45 4.591 -2.116 -5.765 286 HB2 GLN 45 HB2 GLN 45 1.674 -2.718 -6.296 287 HB3 GLN 45 HB3 GLN 45 2.335 -1.092 -6.113 288 HG2 GLN 45 HG2 GLN 45 2.184 -1.606 -8.444 289 HG3 GLN 45 HG3 GLN 45 3.865 -1.425 -7.988 290 HE21 GLN 45 HE21 GLN 45 1.390 -4.020 -8.497 291 HE22 GLN 45 HE22 GLN 45 2.550 -5.130 -9.215 292 H PHE 46 H PHE 46 2.001 -3.728 -3.823 293 HA PHE 46 HA PHE 46 1.985 -1.894 -1.612 294 HB2 PHE 46 HB2 PHE 46 1.455 -4.900 -1.772 295 HB3 PHE 46 HB3 PHE 46 1.208 -3.937 -0.332 296 HD1 PHE 46 HD1 PHE 46 -0.047 -4.454 -3.831 297 HD2 PHE 46 HD2 PHE 46 -0.749 -2.675 0.038 298 HE1 PHE 46 HE1 PHE 46 -2.358 -3.835 -4.518 299 HE2 PHE 46 HE2 PHE 46 -3.039 -2.080 -0.635 300 HZ PHE 46 HZ PHE 46 -3.855 -2.643 -2.935 301 H ARG 47 H ARG 47 3.769 -4.887 -2.144 302 HA ARG 47 HA ARG 47 5.596 -4.891 -0.051 303 HB2 ARG 47 HB2 ARG 47 5.281 -6.694 -1.736 304 HB3 ARG 47 HB3 ARG 47 6.013 -5.666 -2.953 305 HG2 ARG 47 HG2 ARG 47 7.725 -7.078 -2.449 306 HG3 ARG 47 HG3 ARG 47 8.156 -5.693 -1.462 307 HD2 ARG 47 HD2 ARG 47 6.608 -8.127 -0.471 308 HD3 ARG 47 HD3 ARG 47 8.364 -8.007 -0.399 309 HE ARG 47 HE ARG 47 6.426 -6.745 1.355 310 HH11 ARG 47 HH11 ARG 47 9.777 -6.497 0.157 311 HH12 ARG 47 HH12 ARG 47 10.360 -5.768 1.636 312 HH21 ARG 47 HH21 ARG 47 7.237 -5.817 3.257 313 HH22 ARG 47 HH22 ARG 47 8.926 -5.386 3.386 314 H ALA 48 H ALA 48 5.953 -3.151 -3.271 315 HA ALA 48 HA ALA 48 8.420 -2.055 -2.592 316 HB1 ALA 48 HB1 ALA 48 7.452 -1.955 -4.840 317 HB2 ALA 48 HB2 ALA 48 6.293 -0.708 -4.268 318 HB3 ALA 48 HB3 ALA 48 8.039 -0.371 -4.238 319 H MET 49 H MET 49 5.074 -0.769 -1.810 320 HA MET 49 HA MET 49 5.997 1.569 -0.541 321 HB2 MET 49 HB2 MET 49 3.581 0.968 -1.074 322 HB3 MET 49 HB3 MET 49 3.572 0.008 0.417 323 HG2 MET 49 HG2 MET 49 4.169 1.985 1.740 324 HG3 MET 49 HG3 MET 49 4.376 2.944 0.274 325 HE1 MET 49 HE1 MET 49 2.916 4.905 0.814 326 HE2 MET 49 HE2 MET 49 1.327 4.794 1.596 327 HE3 MET 49 HE3 MET 49 2.775 4.248 2.460 328 H GLN 50 H GLN 50 5.469 -1.656 0.992 329 HA GLN 50 HA GLN 50 6.455 -0.936 3.551 330 HB2 GLN 50 HB2 GLN 50 6.588 -3.574 2.038 331 HB3 GLN 50 HB3 GLN 50 6.976 -3.381 3.755 332 HG2 GLN 50 HG2 GLN 50 4.723 -2.550 4.211 333 HG3 GLN 50 HG3 GLN 50 4.268 -2.699 2.514 334 HE21 GLN 50 HE21 GLN 50 3.160 -4.013 4.972 335 HE22 GLN 50 HE22 GLN 50 3.299 -5.737 4.634 336 H GLU 51 H GLU 51 8.228 -2.268 0.838 337 HA GLU 51 HA GLU 51 10.915 -2.242 1.777 338 HB2 GLU 51 HB2 GLU 51 10.014 -3.442 -0.136 339 HB3 GLU 51 HB3 GLU 51 9.623 -1.949 -0.945 340 HG2 GLU 51 HG2 GLU 51 11.599 -1.628 -1.811 341 HG3 GLU 51 HG3 GLU 51 12.494 -2.165 -0.348 342 H CYS 52 H CYS 52 8.990 0.366 0.387 343 HA CYS 52 HA CYS 52 11.192 2.273 0.340 344 HB2 CYS 52 HB2 CYS 52 9.338 2.380 -1.249 345 HB3 CYS 52 HB3 CYS 52 8.191 2.605 0.043 346 H MET 53 H MET 53 8.523 1.484 2.637 347 HA MET 53 HA MET 53 9.137 3.875 4.147 348 HB2 MET 53 HB2 MET 53 7.104 1.664 4.602 349 HB3 MET 53 HB3 MET 53 7.336 3.026 5.710 350 HG2 MET 53 HG2 MET 53 6.957 4.600 3.768 351 HG3 MET 53 HG3 MET 53 6.528 3.206 2.790 352 HE1 MET 53 HE1 MET 53 5.369 5.909 5.236 353 HE2 MET 53 HE2 MET 53 4.024 5.181 6.126 354 HE3 MET 53 HE3 MET 53 5.687 4.638 6.444 355 H GLN 54 H GLN 54 9.990 0.531 4.375 356 HA GLN 54 HA GLN 54 11.297 0.623 6.885 357 HB2 GLN 54 HB2 GLN 54 12.185 -1.454 6.247 358 HB3 GLN 54 HB3 GLN 54 10.603 -1.352 5.579 359 HG2 GLN 54 HG2 GLN 54 11.872 -2.383 3.920 360 HG3 GLN 54 HG3 GLN 54 11.683 -0.716 3.396 361 HE21 GLN 54 HE21 GLN 54 13.499 -0.354 2.184 362 HE22 GLN 54 HE22 GLN 54 15.148 -0.595 2.761 363 H LYS 55 H LYS 55 12.174 2.383 4.088 364 HA LYS 55 HA LYS 55 14.983 2.699 4.732 365 HB2 LYS 55 HB2 LYS 55 13.228 4.396 3.019 366 HB3 LYS 55 HB3 LYS 55 14.983 4.527 3.186 367 HG2 LYS 55 HG2 LYS 55 15.194 2.097 2.493 368 HG3 LYS 55 HG3 LYS 55 13.473 2.118 2.084 369 HD2 LYS 55 HD2 LYS 55 15.650 3.872 0.865 370 HD3 LYS 55 HD3 LYS 55 14.850 2.486 0.092 371 HE2 LYS 55 HE2 LYS 55 12.673 3.622 0.304 372 HE3 LYS 55 HE3 LYS 55 13.462 4.977 1.118 373 HZ1 LYS 55 HZ1 LYS 55 14.109 4.141 -1.673 374 HZ2 LYS 55 HZ2 LYS 55 14.672 5.473 -0.893 375 HZ3 LYS 55 HZ3 LYS 55 13.082 5.354 -1.325 376 H TYR 56 H TYR 56 12.093 4.303 5.975 377 HA TYR 56 HA TYR 56 13.853 6.486 7.020 378 HB2 TYR 56 HB2 TYR 56 10.998 7.051 6.443 379 HB3 TYR 56 HB3 TYR 56 12.385 8.056 6.692 380 HD1 TYR 56 HD1 TYR 56 14.535 7.217 5.105 381 HD2 TYR 56 HD2 TYR 56 10.334 7.089 4.102 382 HE1 TYR 56 HE1 TYR 56 15.095 7.456 2.722 383 HE2 TYR 56 HE2 TYR 56 10.906 7.322 1.692 384 HH TYR 56 HH TYR 56 12.534 7.753 0.179 385 HA PRO 57 HA PRO 57 11.869 5.477 10.987 386 HB2 PRO 57 HB2 PRO 57 13.605 6.739 12.639 387 HB3 PRO 57 HB3 PRO 57 14.006 5.210 11.805 388 HG2 PRO 57 HG2 PRO 57 14.789 8.025 11.008 389 HG3 PRO 57 HG3 PRO 57 15.818 6.561 11.028 390 HD2 PRO 57 HD2 PRO 57 14.662 7.457 8.746 391 HD3 PRO 57 HD3 PRO 57 14.960 5.735 9.079 392 H ASP 58 H ASP 58 12.339 8.764 9.589 393 HA ASP 58 HA ASP 58 10.475 9.986 11.511 394 HB2 ASP 58 HB2 ASP 58 13.402 9.835 11.900 395 HB3 ASP 58 HB3 ASP 58 12.745 11.447 12.157 396 H LEU 59 H LEU 59 11.839 9.981 8.590 397 HA LEU 59 HA LEU 59 12.656 12.667 8.131 398 HB2 LEU 59 HB2 LEU 59 13.641 11.666 6.366 399 HB3 LEU 59 HB3 LEU 59 13.072 10.217 7.024 400 HG LEU 59 HG LEU 59 12.722 10.020 4.809 401 HD11 LEU 59 HD11 LEU 59 9.903 10.835 5.505 402 HD12 LEU 59 HD12 LEU 59 10.672 9.438 6.266 403 HD13 LEU 59 HD13 LEU 59 10.484 9.520 4.506 404 HD21 LEU 59 HD21 LEU 59 12.848 12.428 4.207 405 HD22 LEU 59 HD22 LEU 59 11.102 12.546 4.565 406 HD23 LEU 59 HD23 LEU 59 11.665 11.459 3.297 407 H TYR 60 H TYR 60 9.643 11.410 8.271 408 HA TYR 60 HA TYR 60 8.205 12.568 6.080 409 HB2 TYR 60 HB2 TYR 60 7.149 11.421 8.685 410 HB3 TYR 60 HB3 TYR 60 6.262 11.611 7.208 411 HD1 TYR 60 HD1 TYR 60 9.146 9.591 8.728 412 HD2 TYR 60 HD2 TYR 60 6.233 9.961 5.560 413 HE1 TYR 60 HE1 TYR 60 9.595 7.326 8.120 414 HE2 TYR 60 HE2 TYR 60 6.816 7.706 4.786 415 HH TYR 60 HH TYR 60 7.993 5.807 5.238 416 H GLU 61 H GLU 61 -14.631 14.121 13.638 417 HA GLU 61 HA GLU 61 -13.141 14.630 11.809 418 HB2 GLU 61 HB2 GLU 61 -11.090 14.713 13.118 419 HB3 GLU 61 HB3 GLU 61 -11.198 12.987 13.481 420 HG2 GLU 61 HG2 GLU 61 -10.940 12.514 11.024 421 HG3 GLU 61 HG3 GLU 61 -10.751 14.255 10.755 422 H HIS 62 H HIS 62 -14.326 13.534 10.367 423 HA HIS 62 HA HIS 62 -14.327 10.542 10.425 424 HB2 HIS 62 HB2 HIS 62 -16.516 11.547 10.518 425 HB3 HIS 62 HB3 HIS 62 -16.197 12.498 9.067 426 HD1 HIS 62 HD1 HIS 62 -16.728 11.321 6.760 427 HD2 HIS 62 HD2 HIS 62 -16.831 8.790 10.126 428 HE1 HIS 62 HE1 HIS 62 -17.679 9.105 5.959 429 H CYS 63 H CYS 63 -13.707 9.334 8.733 430 HA CYS 63 HA CYS 63 -13.004 10.577 6.133 431 HB2 CYS 63 HB2 CYS 63 -11.063 9.723 8.065 432 HB3 CYS 63 HB3 CYS 63 -11.046 8.547 6.760 433 H GLY 64 H GLY 64 -14.482 7.996 7.792 434 HA2 GLY 64 HA2 GLY 64 -15.742 6.266 6.907 435 HA3 GLY 64 HA3 GLY 64 -15.118 6.595 5.296 436 H HIS 65 H HIS 65 -15.432 4.133 5.731 437 HA HIS 65 HA HIS 65 -13.628 2.660 7.372 438 HB2 HIS 65 HB2 HIS 65 -15.832 1.885 6.707 439 HB3 HIS 65 HB3 HIS 65 -15.371 1.876 5.013 440 HD1 HIS 65 HD1 HIS 65 -13.528 0.098 7.998 441 HD2 HIS 65 HD2 HIS 65 -15.557 -0.619 4.378 442 HE1 HIS 65 HE1 HIS 65 -13.447 -2.400 7.614 443 H LEU 66 H LEU 66 -13.346 3.507 3.873 444 HA LEU 66 HA LEU 66 -11.586 1.518 3.188 445 HB2 LEU 66 HB2 LEU 66 -11.105 2.562 1.192 446 HB3 LEU 66 HB3 LEU 66 -12.727 3.094 1.606 447 HG LEU 66 HG LEU 66 -10.175 4.753 1.928 448 HD11 LEU 66 HD11 LEU 66 -10.999 5.975 -0.043 449 HD12 LEU 66 HD12 LEU 66 -12.372 4.860 -0.174 450 HD13 LEU 66 HD13 LEU 66 -10.713 4.270 -0.420 451 HD21 LEU 66 HD21 LEU 66 -11.919 5.535 3.498 452 HD22 LEU 66 HD22 LEU 66 -13.089 5.581 2.167 453 HD23 LEU 66 HD23 LEU 66 -11.702 6.681 2.170 454 H ILE 67 H ILE 67 -10.445 4.681 4.568 455 HA ILE 67 HA ILE 67 -7.724 4.047 4.166 456 HB ILE 67 HB ILE 67 -8.444 6.254 4.446 457 HG12 ILE 67 HG12 ILE 67 -6.102 5.537 5.159 458 HG13 ILE 67 HG13 ILE 67 -6.659 7.159 5.526 459 HG21 ILE 67 HG21 ILE 67 -9.226 5.649 7.316 460 HG22 ILE 67 HG22 ILE 67 -9.098 7.268 6.604 461 HG23 ILE 67 HG23 ILE 67 -10.293 6.128 5.981 462 HD11 ILE 67 HD11 ILE 67 -6.587 4.931 7.592 463 HD12 ILE 67 HD12 ILE 67 -5.349 6.175 7.364 464 HD13 ILE 67 HD13 ILE 67 -6.978 6.640 7.868 465 H GLU 68 H GLU 68 -9.643 3.458 7.148 466 HA GLU 68 HA GLU 68 -7.471 2.084 8.414 467 HB2 GLU 68 HB2 GLU 68 -9.538 3.216 9.450 468 HB3 GLU 68 HB3 GLU 68 -10.405 1.734 9.063 469 HG2 GLU 68 HG2 GLU 68 -9.658 1.709 11.383 470 HG3 GLU 68 HG3 GLU 68 -8.815 0.452 10.487 471 H ALA 69 H ALA 69 -9.892 0.979 6.123 472 HA ALA 69 HA ALA 69 -9.190 -1.813 6.298 473 HB1 ALA 69 HB1 ALA 69 -10.619 -2.095 4.438 474 HB2 ALA 69 HB2 ALA 69 -11.358 -0.866 5.464 475 HB3 ALA 69 HB3 ALA 69 -10.507 -0.384 3.978 476 H HIS 70 H HIS 70 -7.888 0.870 4.300 477 HA HIS 70 HA HIS 70 -6.008 -0.668 2.793 478 HB2 HIS 70 HB2 HIS 70 -5.530 2.129 3.898 479 HB3 HIS 70 HB3 HIS 70 -4.739 1.370 2.535 480 HD1 HIS 70 HD1 HIS 70 -7.946 0.524 1.399 481 HD2 HIS 70 HD2 HIS 70 -6.131 4.214 2.299 482 HE1 HIS 70 HE1 HIS 70 -9.093 2.303 -0.026 483 H LYS 71 H LYS 71 -5.677 1.014 5.963 484 HA LYS 71 HA LYS 71 -3.137 0.006 6.693 485 HB2 LYS 71 HB2 LYS 71 -5.506 0.866 8.369 486 HB3 LYS 71 HB3 LYS 71 -3.935 0.428 9.054 487 HG2 LYS 71 HG2 LYS 71 -2.808 2.224 7.895 488 HG3 LYS 71 HG3 LYS 71 -4.228 2.572 6.903 489 HD2 LYS 71 HD2 LYS 71 -4.046 4.249 8.634 490 HD3 LYS 71 HD3 LYS 71 -5.493 3.266 8.888 491 HE2 LYS 71 HE2 LYS 71 -4.105 1.883 10.550 492 HE3 LYS 71 HE3 LYS 71 -2.866 3.147 10.424 493 HZ1 LYS 71 HZ1 LYS 71 -5.689 3.519 11.268 494 HZ2 LYS 71 HZ2 LYS 71 -4.577 4.738 11.135 495 HZ3 LYS 71 HZ3 LYS 71 -4.397 3.557 12.272 496 H GLU 72 H GLU 72 -6.324 -1.464 7.378 497 HA GLU 72 HA GLU 72 -5.462 -3.822 8.691 498 HB2 GLU 72 HB2 GLU 72 -7.783 -3.019 8.480 499 HB3 GLU 72 HB3 GLU 72 -7.754 -3.350 6.752 500 HG2 GLU 72 HG2 GLU 72 -7.547 -5.779 7.224 501 HG3 GLU 72 HG3 GLU 72 -7.673 -5.421 8.959 502 H SER 73 H SER 73 -5.818 -3.237 5.171 503 HA SER 73 HA SER 73 -5.052 -5.874 4.361 504 HB2 SER 73 HB2 SER 73 -4.865 -3.272 2.785 505 HB3 SER 73 HB3 SER 73 -4.864 -4.919 2.128 506 HG SER 73 HG SER 73 -6.970 -3.520 3.440 507 H MET 74 H MET 74 -3.073 -2.824 4.426 508 HA MET 74 HA MET 74 -0.695 -4.210 3.702 509 HB2 MET 74 HB2 MET 74 0.475 -2.187 4.064 510 HB3 MET 74 HB3 MET 74 -1.095 -1.806 3.341 511 HG2 MET 74 HG2 MET 74 -1.930 -1.353 5.690 512 HG3 MET 74 HG3 MET 74 -0.273 -1.490 6.260 513 HE1 MET 74 HE1 MET 74 1.454 1.632 4.628 514 HE2 MET 74 HE2 MET 74 1.649 0.242 5.720 515 HE3 MET 74 HE3 MET 74 1.429 -0.018 3.974 516 H ARG 75 H ARG 75 -2.012 -3.548 6.982 517 HA ARG 75 HA ARG 75 0.139 -4.704 8.430 518 HB2 ARG 75 HB2 ARG 75 -1.638 -3.399 9.438 519 HB3 ARG 75 HB3 ARG 75 -2.841 -4.635 9.030 520 HG2 ARG 75 HG2 ARG 75 -1.847 -6.212 10.582 521 HG3 ARG 75 HG3 ARG 75 -0.440 -5.163 10.827 522 HD2 ARG 75 HD2 ARG 75 -1.927 -5.002 12.736 523 HD3 ARG 75 HD3 ARG 75 -1.863 -3.455 11.895 524 HE ARG 75 HE ARG 75 -4.126 -5.387 11.987 525 HH11 ARG 75 HH11 ARG 75 -2.992 -2.172 10.912 526 HH12 ARG 75 HH12 ARG 75 -4.618 -1.582 10.650 527 HH21 ARG 75 HH21 ARG 75 -6.196 -4.572 11.637 528 HH22 ARG 75 HH22 ARG 75 -6.424 -2.936 11.059 529 H ALA 76 H ALA 76 -2.772 -6.334 7.000 530 HA ALA 76 HA ALA 76 -2.008 -8.951 7.708 531 HB1 ALA 76 HB1 ALA 76 -4.232 -8.305 6.843 532 HB2 ALA 76 HB2 ALA 76 -3.532 -8.050 5.228 533 HB3 ALA 76 HB3 ALA 76 -3.535 -9.670 5.955 534 H LEU 77 H LEU 77 -1.068 -7.144 4.676 535 HA LEU 77 HA LEU 77 0.778 -9.133 3.795 536 HB2 LEU 77 HB2 LEU 77 0.410 -6.187 3.282 537 HB3 LEU 77 HB3 LEU 77 1.933 -6.934 2.826 538 HG LEU 77 HG LEU 77 0.754 -8.616 1.452 539 HD11 LEU 77 HD11 LEU 77 -1.732 -6.924 1.952 540 HD12 LEU 77 HD12 LEU 77 -1.498 -8.599 2.510 541 HD13 LEU 77 HD13 LEU 77 -1.585 -8.243 0.779 542 HD21 LEU 77 HD21 LEU 77 0.080 -5.722 0.791 543 HD22 LEU 77 HD22 LEU 77 0.179 -7.063 -0.368 544 HD23 LEU 77 HD23 LEU 77 1.640 -6.523 0.480 545 H GLY 78 H GLY 78 1.231 -6.583 6.205 546 HA2 GLY 78 HA2 GLY 78 3.983 -6.842 6.802 547 HA3 GLY 78 HA3 GLY 78 2.713 -6.415 7.943 548 H PHE 79 H PHE 79 1.228 -8.701 8.257 549 HA PHE 79 HA PHE 79 2.938 -10.584 9.598 550 HB2 PHE 79 HB2 PHE 79 -0.002 -10.604 8.896 551 HB3 PHE 79 HB3 PHE 79 0.786 -11.935 9.730 552 HD1 PHE 79 HD1 PHE 79 2.207 -11.349 11.864 553 HD2 PHE 79 HD2 PHE 79 -0.885 -8.820 10.238 554 HE1 PHE 79 HE1 PHE 79 1.919 -10.284 14.081 555 HE2 PHE 79 HE2 PHE 79 -1.138 -7.728 12.453 556 HZ PHE 79 HZ PHE 79 0.243 -8.467 14.381 557 H LYS 80 H LYS 80 1.359 -10.738 6.416 558 HA LYS 80 HA LYS 80 1.905 -13.517 5.950 559 HB2 LYS 80 HB2 LYS 80 0.084 -12.090 4.923 560 HB3 LYS 80 HB3 LYS 80 1.318 -11.347 3.899 561 HG2 LYS 80 HG2 LYS 80 1.822 -13.709 3.023 562 HG3 LYS 80 HG3 LYS 80 0.408 -14.251 3.945 563 HD2 LYS 80 HD2 LYS 80 -0.991 -12.597 2.656 564 HD3 LYS 80 HD3 LYS 80 0.452 -12.191 1.702 565 HE2 LYS 80 HE2 LYS 80 0.604 -14.664 1.077 566 HE3 LYS 80 HE3 LYS 80 -0.972 -14.886 1.860 567 HZ1 LYS 80 HZ1 LYS 80 -1.861 -13.207 0.302 568 HZ2 LYS 80 HZ2 LYS 80 -1.252 -14.489 -0.509 569 HZ3 LYS 80 HZ3 LYS 80 -0.378 -13.106 -0.432 570 H ILE 81 H ILE 81 3.693 -10.607 4.969 571 HA ILE 81 HA ILE 81 5.640 -12.280 3.445 572 HB ILE 81 HB ILE 81 5.113 -9.328 3.090 573 HG12 ILE 81 HG12 ILE 81 3.065 -10.479 2.477 574 HG13 ILE 81 HG13 ILE 81 3.893 -9.900 1.052 575 HG21 ILE 81 HG21 ILE 81 7.303 -9.913 2.306 576 HG22 ILE 81 HG22 ILE 81 6.720 -11.411 1.549 577 HG23 ILE 81 HG23 ILE 81 6.268 -9.843 0.877 578 HD11 ILE 81 HD11 ILE 81 2.937 -12.135 0.699 579 HD12 ILE 81 HD12 ILE 81 4.699 -12.184 0.541 580 HD13 ILE 81 HD13 ILE 81 3.913 -12.799 2.011 Start of MODEL 5 1 H ASN 1 H ASN 1 -13.524 3.846 -13.170 2 HA ASN 1 HA ASN 1 -12.029 4.447 -14.942 3 HB2 ASN 1 HB2 ASN 1 -13.111 6.172 -13.389 4 HB3 ASN 1 HB3 ASN 1 -11.562 6.277 -12.563 5 HD21 ASN 1 HD21 ASN 1 -11.608 8.620 -13.257 6 HD22 ASN 1 HD22 ASN 1 -11.164 9.004 -14.909 7 H GLY 2 H GLY 2 -10.299 3.259 -12.092 8 HA2 GLY 2 HA2 GLY 2 -8.063 2.697 -11.862 9 HA3 GLY 2 HA3 GLY 2 -7.825 3.029 -13.581 10 H ASN 3 H ASN 3 -9.129 5.487 -11.521 11 HA ASN 3 HA ASN 3 -6.729 7.205 -11.957 12 HB2 ASN 3 HB2 ASN 3 -8.640 7.899 -13.209 13 HB3 ASN 3 HB3 ASN 3 -9.731 7.658 -11.845 14 HD21 ASN 3 HD21 ASN 3 -6.612 9.448 -12.060 15 HD22 ASN 3 HD22 ASN 3 -7.332 10.837 -11.276 16 H ILE 4 H ILE 4 -9.000 6.122 -9.595 17 HA ILE 4 HA ILE 4 -9.396 6.447 -7.382 18 HB ILE 4 HB ILE 4 -6.425 7.075 -7.327 19 HG12 ILE 4 HG12 ILE 4 -6.398 5.011 -5.804 20 HG13 ILE 4 HG13 ILE 4 -8.017 4.657 -6.353 21 HG21 ILE 4 HG21 ILE 4 -8.348 7.025 -4.988 22 HG22 ILE 4 HG22 ILE 4 -6.583 6.913 -4.863 23 HG23 ILE 4 HG23 ILE 4 -7.273 8.364 -5.514 24 HD11 ILE 4 HD11 ILE 4 -7.056 4.459 -8.699 25 HD12 ILE 4 HD12 ILE 4 -5.465 4.942 -8.032 26 HD13 ILE 4 HD13 ILE 4 -6.204 3.413 -7.545 27 H ASN 5 H ASN 5 -7.517 9.191 -8.476 28 HA ASN 5 HA ASN 5 -7.622 11.396 -8.110 29 HB2 ASN 5 HB2 ASN 5 -10.046 11.074 -8.782 30 HB3 ASN 5 HB3 ASN 5 -10.455 11.193 -7.075 31 HD21 ASN 5 HD21 ASN 5 -8.427 13.021 -9.473 32 HD22 ASN 5 HD22 ASN 5 -8.738 14.570 -8.720 33 H TRP 6 H TRP 6 -6.126 11.698 -6.755 34 HA TRP 6 HA TRP 6 -6.062 10.646 -4.061 35 HB2 TRP 6 HB2 TRP 6 -4.042 12.454 -5.408 36 HB3 TRP 6 HB3 TRP 6 -3.762 11.310 -4.097 37 HD1 TRP 6 HD1 TRP 6 -3.469 11.614 -7.703 38 HE1 TRP 6 HE1 TRP 6 -3.282 9.356 -8.952 39 HE3 TRP 6 HE3 TRP 6 -4.433 8.572 -3.796 40 HZ2 TRP 6 HZ2 TRP 6 -3.028 6.538 -8.105 41 HZ3 TRP 6 HZ3 TRP 6 -4.145 6.121 -3.992 42 HH2 TRP 6 HH2 TRP 6 -3.513 5.087 -6.156 43 H ASN 7 H ASN 7 -7.519 13.365 -5.072 44 HA ASN 7 HA ASN 7 -6.888 15.439 -3.190 45 HB2 ASN 7 HB2 ASN 7 -8.127 15.665 -5.344 46 HB3 ASN 7 HB3 ASN 7 -9.509 14.837 -4.618 47 HD21 ASN 7 HD21 ASN 7 -7.372 17.674 -4.291 48 HD22 ASN 7 HD22 ASN 7 -8.610 18.694 -3.570 49 H SER 8 H SER 8 -8.987 12.607 -2.889 50 HA SER 8 HA SER 8 -10.581 13.431 -0.698 51 HB2 SER 8 HB2 SER 8 -11.048 11.541 -2.215 52 HB3 SER 8 HB3 SER 8 -9.739 10.610 -1.464 53 HG SER 8 HG SER 8 -12.123 10.473 -0.734 54 HA PRO 9 HA PRO 9 -7.456 14.051 2.009 55 HB2 PRO 9 HB2 PRO 9 -8.639 14.420 4.472 56 HB3 PRO 9 HB3 PRO 9 -8.880 15.486 3.058 57 HG2 PRO 9 HG2 PRO 9 -10.631 13.169 3.957 58 HG3 PRO 9 HG3 PRO 9 -11.134 14.850 3.567 59 HD2 PRO 9 HD2 PRO 9 -11.335 12.893 1.711 60 HD3 PRO 9 HD3 PRO 9 -10.741 14.517 1.248 61 H CYS 10 H CYS 10 -9.084 11.086 2.974 62 HA CYS 10 HA CYS 10 -6.893 10.366 4.829 63 HB2 CYS 10 HB2 CYS 10 -9.681 9.483 4.362 64 HB3 CYS 10 HB3 CYS 10 -8.553 8.185 4.698 65 H LEU 11 H LEU 11 -8.318 8.828 1.852 66 HA LEU 11 HA LEU 11 -6.115 7.122 1.360 67 HB2 LEU 11 HB2 LEU 11 -8.371 7.084 0.309 68 HB3 LEU 11 HB3 LEU 11 -7.934 8.460 -0.692 69 HG LEU 11 HG LEU 11 -6.684 5.651 -0.694 70 HD11 LEU 11 HD11 LEU 11 -8.574 7.041 -2.629 71 HD12 LEU 11 HD12 LEU 11 -9.002 5.700 -1.537 72 HD13 LEU 11 HD13 LEU 11 -7.850 5.430 -2.848 73 HD21 LEU 11 HD21 LEU 11 -5.053 7.249 -1.628 74 HD22 LEU 11 HD22 LEU 11 -6.341 8.027 -2.587 75 HD23 LEU 11 HD23 LEU 11 -5.838 6.346 -2.893 76 H GLY 12 H GLY 12 -6.630 10.503 0.297 77 HA2 GLY 12 HA2 GLY 12 -4.241 10.951 -1.131 78 HA3 GLY 12 HA3 GLY 12 -5.162 12.173 -0.245 79 H GLY 13 H GLY 13 -4.693 10.857 2.424 80 HA2 GLY 13 HA2 GLY 13 -2.076 11.858 3.122 81 HA3 GLY 13 HA3 GLY 13 -3.126 10.838 4.122 82 H MET 14 H MET 14 -3.387 8.555 2.780 83 HA MET 14 HA MET 14 -1.024 7.039 2.884 84 HB2 MET 14 HB2 MET 14 -3.645 6.450 2.604 85 HB3 MET 14 HB3 MET 14 -3.120 6.201 0.963 86 HG2 MET 14 HG2 MET 14 -2.948 4.116 2.185 87 HG3 MET 14 HG3 MET 14 -1.323 4.676 1.802 88 HE1 MET 14 HE1 MET 14 -1.909 2.363 3.958 89 HE2 MET 14 HE2 MET 14 -0.300 2.969 3.513 90 HE3 MET 14 HE3 MET 14 -0.763 2.856 5.222 91 H ALA 15 H ALA 15 -2.420 8.665 0.078 92 HA ALA 15 HA ALA 15 -0.308 7.809 -1.694 93 HB1 ALA 15 HB1 ALA 15 -2.750 8.135 -2.285 94 HB2 ALA 15 HB2 ALA 15 -2.457 9.886 -2.292 95 HB3 ALA 15 HB3 ALA 15 -1.579 8.822 -3.401 96 H SER 16 H SER 16 0.168 9.861 0.674 97 HA SER 16 HA SER 16 1.912 11.745 -0.885 98 HB2 SER 16 HB2 SER 16 0.684 12.109 1.865 99 HB3 SER 16 HB3 SER 16 1.757 13.253 1.040 100 HG SER 16 HG SER 16 -0.830 12.401 0.251 101 H GLY 17 H GLY 17 3.780 12.542 0.195 102 HA2 GLY 17 HA2 GLY 17 5.666 12.389 1.667 103 HA3 GLY 17 HA3 GLY 17 5.230 10.760 2.077 104 HA PRO 18 HA PRO 18 9.099 10.561 -0.846 105 HB2 PRO 18 HB2 PRO 18 9.923 8.411 0.697 106 HB3 PRO 18 HB3 PRO 18 10.473 10.105 0.878 107 HG2 PRO 18 HG2 PRO 18 8.226 8.740 2.412 108 HG3 PRO 18 HG3 PRO 18 9.621 9.692 3.013 109 HD2 PRO 18 HD2 PRO 18 7.307 10.879 2.738 110 HD3 PRO 18 HD3 PRO 18 8.730 11.708 2.077 111 H CYS 19 H CYS 19 6.933 8.157 0.698 112 HA CYS 19 HA CYS 19 7.359 6.286 -1.560 113 HB2 CYS 19 HB2 CYS 19 6.019 5.853 1.109 114 HB3 CYS 19 HB3 CYS 19 6.456 4.602 -0.041 115 H GLY 20 H GLY 20 5.388 8.754 -1.453 116 HA2 GLY 20 HA2 GLY 20 2.713 7.852 -1.354 117 HA3 GLY 20 HA3 GLY 20 3.293 9.263 -2.266 118 H GLU 21 H GLU 21 4.962 8.040 -4.087 119 HA GLU 21 HA GLU 21 3.299 7.124 -6.207 120 HB2 GLU 21 HB2 GLU 21 5.325 6.889 -7.328 121 HB3 GLU 21 HB3 GLU 21 5.574 8.251 -6.275 122 HG2 GLU 21 HG2 GLU 21 6.701 6.414 -4.711 123 HG3 GLU 21 HG3 GLU 21 6.738 5.444 -6.167 124 H GLN 22 H GLN 22 5.075 5.213 -3.730 125 HA GLN 22 HA GLN 22 4.507 2.703 -4.982 126 HB2 GLN 22 HB2 GLN 22 4.725 2.939 -1.981 127 HB3 GLN 22 HB3 GLN 22 5.218 1.652 -3.064 128 HG2 GLN 22 HG2 GLN 22 6.562 4.299 -2.553 129 HG3 GLN 22 HG3 GLN 22 7.100 2.725 -2.080 130 HE21 GLN 22 HE21 GLN 22 8.733 4.524 -3.336 131 HE22 GLN 22 HE22 GLN 22 9.051 4.040 -4.999 132 H PHE 23 H PHE 23 2.623 4.720 -2.620 133 HA PHE 23 HA PHE 23 0.435 2.882 -2.613 134 HB2 PHE 23 HB2 PHE 23 0.803 5.055 -1.066 135 HB3 PHE 23 HB3 PHE 23 -0.059 5.830 -2.354 136 HD1 PHE 23 HD1 PHE 23 -0.364 2.520 -0.546 137 HD2 PHE 23 HD2 PHE 23 -2.355 6.069 -1.938 138 HE1 PHE 23 HE1 PHE 23 -2.505 1.631 0.298 139 HE2 PHE 23 HE2 PHE 23 -4.486 5.187 -1.020 140 HZ PHE 23 HZ PHE 23 -4.602 2.921 -0.047 141 H LYS 24 H LYS 24 1.020 5.791 -4.678 142 HA LYS 24 HA LYS 24 -1.292 5.692 -6.246 143 HB2 LYS 24 HB2 LYS 24 1.424 6.163 -7.462 144 HB3 LYS 24 HB3 LYS 24 -0.048 6.764 -8.031 145 HG2 LYS 24 HG2 LYS 24 1.250 7.735 -5.478 146 HG3 LYS 24 HG3 LYS 24 1.305 8.522 -7.055 147 HD2 LYS 24 HD2 LYS 24 -1.214 8.550 -6.956 148 HD3 LYS 24 HD3 LYS 24 -1.135 7.972 -5.329 149 HE2 LYS 24 HE2 LYS 24 -1.461 10.371 -5.309 150 HE3 LYS 24 HE3 LYS 24 0.166 10.057 -4.696 151 HZ1 LYS 24 HZ1 LYS 24 1.091 10.983 -6.633 152 HZ2 LYS 24 HZ2 LYS 24 -0.262 11.881 -6.474 153 HZ3 LYS 24 HZ3 LYS 24 -0.225 10.672 -7.567 154 H SER 25 H SER 25 1.679 3.977 -6.750 155 HA SER 25 HA SER 25 0.929 2.388 -8.978 156 HB2 SER 25 HB2 SER 25 3.161 3.064 -8.282 157 HB3 SER 25 HB3 SER 25 3.086 2.067 -6.835 158 HG SER 25 HG SER 25 4.239 1.072 -8.413 159 H ALA 26 H ALA 26 1.009 1.510 -5.479 160 HA ALA 26 HA ALA 26 0.100 -1.176 -5.827 161 HB1 ALA 26 HB1 ALA 26 1.272 -0.398 -3.802 162 HB2 ALA 26 HB2 ALA 26 -0.079 0.687 -3.415 163 HB3 ALA 26 HB3 ALA 26 -0.309 -1.065 -3.376 164 H PHE 27 H PHE 27 -1.836 1.669 -4.690 165 HA PHE 27 HA PHE 27 -4.256 0.195 -4.914 166 HB2 PHE 27 HB2 PHE 27 -3.498 2.790 -3.921 167 HB3 PHE 27 HB3 PHE 27 -4.885 2.974 -4.983 168 HD1 PHE 27 HD1 PHE 27 -3.809 0.281 -2.572 169 HD2 PHE 27 HD2 PHE 27 -6.853 3.139 -3.655 170 HE1 PHE 27 HE1 PHE 27 -5.307 -0.639 -0.806 171 HE2 PHE 27 HE2 PHE 27 -8.313 2.262 -1.804 172 HZ PHE 27 HZ PHE 27 -7.567 0.321 -0.478 173 H SER 28 H SER 28 -2.734 2.382 -7.376 174 HA SER 28 HA SER 28 -4.810 2.067 -9.253 175 HB2 SER 28 HB2 SER 28 -3.002 3.557 -9.642 176 HB3 SER 28 HB3 SER 28 -1.827 2.224 -9.733 177 HG SER 28 HG SER 28 -2.834 1.513 -11.638 178 H CYS 29 H CYS 29 -1.876 -0.080 -8.836 179 HA CYS 29 HA CYS 29 -2.575 -1.974 -10.758 180 HB2 CYS 29 HB2 CYS 29 -0.409 -1.775 -9.518 181 HB3 CYS 29 HB3 CYS 29 -1.148 -2.538 -8.124 182 H PHE 30 H PHE 30 -3.475 -2.066 -7.283 183 HA PHE 30 HA PHE 30 -5.248 -4.254 -7.361 184 HB2 PHE 30 HB2 PHE 30 -4.713 -3.563 -5.234 185 HB3 PHE 30 HB3 PHE 30 -4.848 -1.859 -5.624 186 HD1 PHE 30 HD1 PHE 30 -7.289 -4.756 -5.696 187 HD2 PHE 30 HD2 PHE 30 -6.428 -0.733 -4.397 188 HE1 PHE 30 HE1 PHE 30 -9.605 -4.525 -4.826 189 HE2 PHE 30 HE2 PHE 30 -8.733 -0.513 -3.535 190 HZ PHE 30 HZ PHE 30 -10.337 -2.409 -3.763 191 H HIS 31 H HIS 31 -6.177 -0.780 -7.924 192 HA HIS 31 HA HIS 31 -8.906 -1.438 -8.421 193 HB2 HIS 31 HB2 HIS 31 -7.215 1.020 -8.816 194 HB3 HIS 31 HB3 HIS 31 -8.793 0.932 -9.583 195 HD1 HIS 31 HD1 HIS 31 -10.946 0.489 -7.928 196 HD2 HIS 31 HD2 HIS 31 -7.322 1.692 -6.168 197 HE1 HIS 31 HE1 HIS 31 -11.517 1.325 -5.589 198 H TYR 32 H TYR 32 -6.223 -1.297 -10.790 199 HA TYR 32 HA TYR 32 -7.972 -2.074 -12.968 200 HB2 TYR 32 HB2 TYR 32 -4.979 -2.122 -12.569 201 HB3 TYR 32 HB3 TYR 32 -5.742 -2.820 -13.983 202 HD1 TYR 32 HD1 TYR 32 -5.244 0.411 -12.165 203 HD2 TYR 32 HD2 TYR 32 -6.544 -1.488 -15.809 204 HE1 TYR 32 HE1 TYR 32 -5.119 2.581 -13.326 205 HE2 TYR 32 HE2 TYR 32 -6.494 0.720 -16.963 206 HH TYR 32 HH TYR 32 -6.005 2.984 -16.768 207 H SER 33 H SER 33 -6.778 -3.897 -10.297 208 HA SER 33 HA SER 33 -6.934 -6.503 -11.690 209 HB2 SER 33 HB2 SER 33 -5.146 -5.808 -9.917 210 HB3 SER 33 HB3 SER 33 -6.410 -6.095 -8.737 211 HG SER 33 HG SER 33 -5.082 -7.852 -10.474 212 H THR 34 H THR 34 -8.324 -5.257 -8.669 213 HA THR 34 HA THR 34 -10.093 -5.907 -7.392 214 HB THR 34 HB THR 34 -12.362 -5.837 -8.497 215 HG1 THR 34 HG1 THR 34 -11.385 -6.398 -10.622 216 HG21 THR 34 HG21 THR 34 -11.242 -3.858 -7.489 217 HG22 THR 34 HG22 THR 34 -12.262 -3.440 -8.872 218 HG23 THR 34 HG23 THR 34 -10.496 -3.499 -9.062 219 H GLU 35 H GLU 35 -8.562 -8.029 -7.804 220 HA GLU 35 HA GLU 35 -9.888 -10.291 -8.989 221 HB2 GLU 35 HB2 GLU 35 -7.306 -9.686 -7.682 222 HB3 GLU 35 HB3 GLU 35 -7.861 -11.305 -7.341 223 HG2 GLU 35 HG2 GLU 35 -7.727 -10.198 -10.179 224 HG3 GLU 35 HG3 GLU 35 -6.348 -10.962 -9.385 225 H GLU 36 H GLU 36 -9.055 -9.765 -5.574 226 HA GLU 36 HA GLU 36 -11.618 -10.675 -4.554 227 HB2 GLU 36 HB2 GLU 36 -10.526 -12.881 -5.237 228 HB3 GLU 36 HB3 GLU 36 -9.230 -12.530 -4.105 229 HG2 GLU 36 HG2 GLU 36 -10.914 -12.483 -2.250 230 HG3 GLU 36 HG3 GLU 36 -12.189 -12.839 -3.421 231 H ILE 37 H ILE 37 -8.174 -10.479 -3.796 232 HA ILE 37 HA ILE 37 -8.686 -9.057 -1.189 233 HB ILE 37 HB ILE 37 -6.570 -11.067 -2.036 234 HG12 ILE 37 HG12 ILE 37 -8.724 -10.997 0.096 235 HG13 ILE 37 HG13 ILE 37 -8.600 -12.030 -1.335 236 HG21 ILE 37 HG21 ILE 37 -6.474 -9.475 0.548 237 HG22 ILE 37 HG22 ILE 37 -5.382 -10.783 0.050 238 HG23 ILE 37 HG23 ILE 37 -5.354 -9.280 -0.830 239 HD11 ILE 37 HD11 ILE 37 -6.829 -12.181 1.135 240 HD12 ILE 37 HD12 ILE 37 -8.089 -13.310 0.648 241 HD13 ILE 37 HD13 ILE 37 -6.620 -13.160 -0.343 242 H LYS 38 H LYS 38 -7.288 -7.267 -0.674 243 HA LYS 38 HA LYS 38 -6.704 -5.467 -2.716 244 HB2 LYS 38 HB2 LYS 38 -5.341 -5.749 -0.003 245 HB3 LYS 38 HB3 LYS 38 -5.100 -4.377 -1.084 246 HG2 LYS 38 HG2 LYS 38 -7.729 -5.200 0.178 247 HG3 LYS 38 HG3 LYS 38 -6.694 -3.845 0.658 248 HD2 LYS 38 HD2 LYS 38 -7.071 -2.722 -1.485 249 HD3 LYS 38 HD3 LYS 38 -8.061 -4.070 -2.073 250 HE2 LYS 38 HE2 LYS 38 -8.704 -2.465 0.387 251 HE3 LYS 38 HE3 LYS 38 -9.365 -2.112 -1.218 252 HZ1 LYS 38 HZ1 LYS 38 -10.944 -3.456 -0.138 253 HZ2 LYS 38 HZ2 LYS 38 -9.850 -4.538 0.421 254 HZ3 LYS 38 HZ3 LYS 38 -10.211 -4.471 -1.191 255 H GLY 39 H GLY 39 -5.550 -5.935 -4.487 256 HA2 GLY 39 HA2 GLY 39 -3.719 -6.238 -5.785 257 HA3 GLY 39 HA3 GLY 39 -2.716 -5.905 -4.366 258 H SER 40 H SER 40 -4.828 -8.791 -4.321 259 HA SER 40 HA SER 40 -2.845 -10.639 -3.811 260 HB2 SER 40 HB2 SER 40 -4.434 -12.360 -4.556 261 HB3 SER 40 HB3 SER 40 -5.228 -11.083 -3.654 262 HG SER 40 HG SER 40 -5.801 -11.965 -6.069 263 H ASP 41 H ASP 41 -3.777 -9.598 -7.072 264 HA ASP 41 HA ASP 41 -1.403 -10.988 -8.197 265 HB2 ASP 41 HB2 ASP 41 -3.691 -11.477 -9.084 266 HB3 ASP 41 HB3 ASP 41 -3.753 -9.833 -9.710 267 H CYS 42 H CYS 42 -0.913 -8.740 -6.683 268 HA CYS 42 HA CYS 42 0.498 -6.876 -8.480 269 HB2 CYS 42 HB2 CYS 42 -1.934 -6.140 -6.842 270 HB3 CYS 42 HB3 CYS 42 -0.723 -4.919 -7.176 271 H VAL 43 H VAL 43 0.841 -8.708 -5.809 272 HA VAL 43 HA VAL 43 1.039 -6.905 -3.676 273 HB VAL 43 HB VAL 43 1.887 -8.528 -2.313 274 HG11 VAL 43 HG11 VAL 43 -0.357 -9.041 -3.046 275 HG12 VAL 43 HG12 VAL 43 0.275 -10.061 -4.361 276 HG13 VAL 43 HG13 VAL 43 0.542 -10.513 -2.670 277 HG21 VAL 43 HG21 VAL 43 2.922 -10.133 -4.668 278 HG22 VAL 43 HG22 VAL 43 3.902 -9.283 -3.440 279 HG23 VAL 43 HG23 VAL 43 2.915 -10.665 -2.980 280 H ASP 44 H ASP 44 3.540 -7.661 -5.999 281 HA ASP 44 HA ASP 44 5.873 -6.830 -4.726 282 HB2 ASP 44 HB2 ASP 44 5.632 -7.863 -6.981 283 HB3 ASP 44 HB3 ASP 44 5.028 -6.327 -7.607 284 H GLN 45 H GLN 45 3.322 -4.718 -5.956 285 HA GLN 45 HA GLN 45 4.736 -2.202 -5.638 286 HB2 GLN 45 HB2 GLN 45 1.827 -2.981 -5.987 287 HB3 GLN 45 HB3 GLN 45 2.342 -1.328 -5.692 288 HG2 GLN 45 HG2 GLN 45 2.066 -1.626 -8.039 289 HG3 GLN 45 HG3 GLN 45 3.746 -1.297 -7.655 290 HE21 GLN 45 HE21 GLN 45 1.825 -4.411 -7.766 291 HE22 GLN 45 HE22 GLN 45 2.896 -5.124 -8.955 292 H PHE 46 H PHE 46 2.331 -3.910 -3.584 293 HA PHE 46 HA PHE 46 2.386 -2.026 -1.399 294 HB2 PHE 46 HB2 PHE 46 1.688 -4.989 -1.485 295 HB3 PHE 46 HB3 PHE 46 1.357 -3.922 -0.135 296 HD1 PHE 46 HD1 PHE 46 0.486 -4.476 -3.766 297 HD2 PHE 46 HD2 PHE 46 -0.685 -2.686 -0.011 298 HE1 PHE 46 HE1 PHE 46 -1.698 -3.815 -4.744 299 HE2 PHE 46 HE2 PHE 46 -2.870 -2.075 -0.992 300 HZ PHE 46 HZ PHE 46 -3.376 -2.623 -3.361 301 H ARG 47 H ARG 47 4.118 -5.042 -2.044 302 HA ARG 47 HA ARG 47 5.871 -5.108 0.124 303 HB2 ARG 47 HB2 ARG 47 5.484 -6.898 -1.519 304 HB3 ARG 47 HB3 ARG 47 6.414 -5.998 -2.725 305 HG2 ARG 47 HG2 ARG 47 8.454 -6.260 -1.487 306 HG3 ARG 47 HG3 ARG 47 7.586 -6.782 -0.032 307 HD2 ARG 47 HD2 ARG 47 8.656 -8.691 -1.151 308 HD3 ARG 47 HD3 ARG 47 6.895 -8.849 -1.092 309 HE ARG 47 HE ARG 47 8.133 -7.721 -3.544 310 HH11 ARG 47 HH11 ARG 47 6.530 -10.530 -2.026 311 HH12 ARG 47 HH12 ARG 47 6.185 -11.288 -3.566 312 HH21 ARG 47 HH21 ARG 47 7.667 -8.751 -5.503 313 HH22 ARG 47 HH22 ARG 47 6.832 -10.288 -5.523 314 H ALA 48 H ALA 48 6.382 -3.369 -3.030 315 HA ALA 48 HA ALA 48 8.788 -2.105 -2.261 316 HB1 ALA 48 HB1 ALA 48 7.929 -2.054 -4.524 317 HB2 ALA 48 HB2 ALA 48 6.611 -0.966 -4.000 318 HB3 ALA 48 HB3 ALA 48 8.308 -0.430 -3.874 319 H MET 49 H MET 49 5.363 -1.021 -1.641 320 HA MET 49 HA MET 49 6.056 1.400 -0.404 321 HB2 MET 49 HB2 MET 49 3.748 0.615 -1.070 322 HB3 MET 49 HB3 MET 49 3.714 -0.353 0.412 323 HG2 MET 49 HG2 MET 49 4.030 1.689 1.767 324 HG3 MET 49 HG3 MET 49 4.120 2.658 0.288 325 HE1 MET 49 HE1 MET 49 0.670 3.874 1.459 326 HE2 MET 49 HE2 MET 49 2.018 3.499 2.548 327 HE3 MET 49 HE3 MET 49 2.327 4.290 0.977 328 H GLN 50 H GLN 50 5.715 -1.819 1.207 329 HA GLN 50 HA GLN 50 6.632 -0.827 3.730 330 HB2 GLN 50 HB2 GLN 50 6.430 -3.602 2.527 331 HB3 GLN 50 HB3 GLN 50 7.057 -3.320 4.169 332 HG2 GLN 50 HG2 GLN 50 5.040 -2.135 4.824 333 HG3 GLN 50 HG3 GLN 50 4.367 -2.256 3.199 334 HE21 GLN 50 HE21 GLN 50 3.230 -3.166 5.757 335 HE22 GLN 50 HE22 GLN 50 2.749 -4.809 5.294 336 H GLU 51 H GLU 51 8.486 -2.364 1.128 337 HA GLU 51 HA GLU 51 11.122 -2.176 2.196 338 HB2 GLU 51 HB2 GLU 51 10.489 -3.446 0.263 339 HB3 GLU 51 HB3 GLU 51 9.900 -2.050 -0.577 340 HG2 GLU 51 HG2 GLU 51 11.872 -1.305 -1.294 341 HG3 GLU 51 HG3 GLU 51 12.806 -2.061 0.041 342 H CYS 52 H CYS 52 9.105 0.308 0.879 343 HA CYS 52 HA CYS 52 11.203 2.371 0.845 344 HB2 CYS 52 HB2 CYS 52 9.360 2.206 -0.853 345 HB3 CYS 52 HB3 CYS 52 8.197 2.562 0.373 346 H MET 53 H MET 53 8.437 1.453 2.940 347 HA MET 53 HA MET 53 8.704 3.935 4.460 348 HB2 MET 53 HB2 MET 53 6.701 1.662 4.542 349 HB3 MET 53 HB3 MET 53 6.755 2.911 5.796 350 HG2 MET 53 HG2 MET 53 6.594 4.675 4.080 351 HG3 MET 53 HG3 MET 53 6.416 3.446 2.823 352 HE1 MET 53 HE1 MET 53 4.621 6.040 3.796 353 HE2 MET 53 HE2 MET 53 4.197 5.182 2.299 354 HE3 MET 53 HE3 MET 53 2.963 5.462 3.548 355 H GLN 54 H GLN 54 9.749 0.641 4.807 356 HA GLN 54 HA GLN 54 10.642 0.639 7.469 357 HB2 GLN 54 HB2 GLN 54 12.113 -1.102 6.698 358 HB3 GLN 54 HB3 GLN 54 10.613 -1.227 5.874 359 HG2 GLN 54 HG2 GLN 54 12.105 -1.660 4.200 360 HG3 GLN 54 HG3 GLN 54 11.743 0.043 3.949 361 HE21 GLN 54 HE21 GLN 54 13.665 0.069 2.697 362 HE22 GLN 54 HE22 GLN 54 15.234 0.270 3.502 363 H LYS 55 H LYS 55 11.902 2.523 4.765 364 HA LYS 55 HA LYS 55 14.215 3.591 6.168 365 HB2 LYS 55 HB2 LYS 55 12.732 4.874 3.896 366 HB3 LYS 55 HB3 LYS 55 14.394 5.138 4.432 367 HG2 LYS 55 HG2 LYS 55 14.793 2.632 3.919 368 HG3 LYS 55 HG3 LYS 55 13.237 2.668 3.078 369 HD2 LYS 55 HD2 LYS 55 15.826 4.021 2.363 370 HD3 LYS 55 HD3 LYS 55 14.828 2.961 1.376 371 HE2 LYS 55 HE2 LYS 55 13.144 4.712 1.141 372 HE3 LYS 55 HE3 LYS 55 13.999 5.728 2.321 373 HZ1 LYS 55 HZ1 LYS 55 15.790 6.034 0.798 374 HZ2 LYS 55 HZ2 LYS 55 14.434 6.252 -0.121 375 HZ3 LYS 55 HZ3 LYS 55 15.301 4.856 -0.197 376 H TYR 56 H TYR 56 10.809 4.414 6.251 377 HA TYR 56 HA TYR 56 11.474 7.000 7.577 378 HB2 TYR 56 HB2 TYR 56 9.401 6.819 5.389 379 HB3 TYR 56 HB3 TYR 56 10.014 8.172 6.263 380 HD1 TYR 56 HD1 TYR 56 12.877 7.990 6.288 381 HD2 TYR 56 HD2 TYR 56 10.114 6.921 3.149 382 HE1 TYR 56 HE1 TYR 56 14.525 8.674 4.610 383 HE2 TYR 56 HE2 TYR 56 11.786 7.613 1.436 384 HH TYR 56 HH TYR 56 13.876 8.345 1.056 385 HA PRO 57 HA PRO 57 8.186 5.125 10.060 386 HB2 PRO 57 HB2 PRO 57 8.678 6.367 12.460 387 HB3 PRO 57 HB3 PRO 57 9.645 5.015 11.809 388 HG2 PRO 57 HG2 PRO 57 10.247 7.968 11.717 389 HG3 PRO 57 HG3 PRO 57 11.392 6.628 12.029 390 HD2 PRO 57 HD2 PRO 57 11.185 7.840 9.603 391 HD3 PRO 57 HD3 PRO 57 11.633 6.122 9.813 392 H ASP 58 H ASP 58 8.649 8.644 10.476 393 HA ASP 58 HA ASP 58 5.883 9.259 9.712 394 HB2 ASP 58 HB2 ASP 58 5.635 8.549 11.961 395 HB3 ASP 58 HB3 ASP 58 6.816 9.782 12.457 396 H LEU 59 H LEU 59 7.404 10.062 8.180 397 HA LEU 59 HA LEU 59 9.282 12.226 8.993 398 HB2 LEU 59 HB2 LEU 59 10.172 10.132 8.422 399 HB3 LEU 59 HB3 LEU 59 9.148 9.927 7.047 400 HG LEU 59 HG LEU 59 11.694 10.249 6.861 401 HD11 LEU 59 HD11 LEU 59 9.873 11.616 4.855 402 HD12 LEU 59 HD12 LEU 59 10.242 9.877 4.968 403 HD13 LEU 59 HD13 LEU 59 11.520 11.012 4.567 404 HD21 LEU 59 HD21 LEU 59 10.985 13.042 6.165 405 HD22 LEU 59 HD22 LEU 59 12.563 12.284 6.392 406 HD23 LEU 59 HD23 LEU 59 11.540 12.635 7.830 407 H TYR 60 H TYR 60 6.419 11.892 7.525 408 HA TYR 60 HA TYR 60 6.519 14.199 5.651 409 HB2 TYR 60 HB2 TYR 60 5.488 12.628 3.893 410 HB3 TYR 60 HB3 TYR 60 7.193 12.448 4.246 411 HD1 TYR 60 HD1 TYR 60 3.826 10.937 4.811 412 HD2 TYR 60 HD2 TYR 60 8.082 10.351 5.142 413 HE1 TYR 60 HE1 TYR 60 3.482 8.588 5.496 414 HE2 TYR 60 HE2 TYR 60 7.747 8.095 5.962 415 HH TYR 60 HH TYR 60 4.459 6.658 6.274 416 H GLU 61 H GLU 61 -11.040 13.771 14.175 417 HA GLU 61 HA GLU 61 -12.400 11.943 13.311 418 HB2 GLU 61 HB2 GLU 61 -13.871 14.469 14.201 419 HB3 GLU 61 HB3 GLU 61 -14.646 12.917 13.962 420 HG2 GLU 61 HG2 GLU 61 -14.353 12.969 16.230 421 HG3 GLU 61 HG3 GLU 61 -13.042 11.935 15.683 422 H HIS 62 H HIS 62 -14.276 11.409 11.956 423 HA HIS 62 HA HIS 62 -15.534 11.363 10.086 424 HB2 HIS 62 HB2 HIS 62 -15.401 14.365 9.881 425 HB3 HIS 62 HB3 HIS 62 -16.650 13.281 9.276 426 HD1 HIS 62 HD1 HIS 62 -17.732 11.736 11.628 427 HD2 HIS 62 HD2 HIS 62 -16.128 15.608 12.023 428 HE1 HIS 62 HE1 HIS 62 -18.593 12.643 13.843 429 H CYS 63 H CYS 63 -12.491 11.466 9.856 430 HA CYS 63 HA CYS 63 -12.333 11.717 6.902 431 HB2 CYS 63 HB2 CYS 63 -10.595 12.606 8.456 432 HB3 CYS 63 HB3 CYS 63 -10.175 10.952 8.878 433 H GLY 64 H GLY 64 -11.795 9.927 5.519 434 HA2 GLY 64 HA2 GLY 64 -13.685 7.906 5.935 435 HA3 GLY 64 HA3 GLY 64 -12.463 7.884 4.679 436 H HIS 65 H HIS 65 -13.722 5.957 6.803 437 HA HIS 65 HA HIS 65 -11.682 4.725 8.293 438 HB2 HIS 65 HB2 HIS 65 -14.385 3.983 7.287 439 HB3 HIS 65 HB3 HIS 65 -13.332 2.618 7.575 440 HD1 HIS 65 HD1 HIS 65 -15.604 4.830 9.479 441 HD2 HIS 65 HD2 HIS 65 -12.120 2.562 10.151 442 HE1 HIS 65 HE1 HIS 65 -15.517 4.368 11.977 443 H LEU 66 H LEU 66 -12.026 4.578 4.795 444 HA LEU 66 HA LEU 66 -10.569 2.272 4.318 445 HB2 LEU 66 HB2 LEU 66 -10.172 2.962 2.110 446 HB3 LEU 66 HB3 LEU 66 -11.760 3.534 2.596 447 HG LEU 66 HG LEU 66 -9.231 5.214 2.277 448 HD11 LEU 66 HD11 LEU 66 -10.232 4.421 0.167 449 HD12 LEU 66 HD12 LEU 66 -10.501 6.161 0.355 450 HD13 LEU 66 HD13 LEU 66 -11.824 5.028 0.675 451 HD21 LEU 66 HD21 LEU 66 -12.041 6.089 3.027 452 HD22 LEU 66 HD22 LEU 66 -10.760 7.177 2.460 453 HD23 LEU 66 HD23 LEU 66 -10.536 6.307 3.972 454 H ILE 67 H ILE 67 -9.028 5.387 5.420 455 HA ILE 67 HA ILE 67 -6.415 4.503 4.766 456 HB ILE 67 HB ILE 67 -7.046 6.813 5.433 457 HG12 ILE 67 HG12 ILE 67 -4.647 5.581 6.843 458 HG13 ILE 67 HG13 ILE 67 -4.733 6.096 5.159 459 HG21 ILE 67 HG21 ILE 67 -6.780 5.863 8.322 460 HG22 ILE 67 HG22 ILE 67 -7.141 7.496 7.753 461 HG23 ILE 67 HG23 ILE 67 -8.332 6.222 7.529 462 HD11 ILE 67 HD11 ILE 67 -4.832 7.875 7.626 463 HD12 ILE 67 HD12 ILE 67 -3.569 7.791 6.389 464 HD13 ILE 67 HD13 ILE 67 -5.162 8.456 5.977 465 H GLU 68 H GLU 68 -8.309 3.835 7.711 466 HA GLU 68 HA GLU 68 -6.261 2.278 8.998 467 HB2 GLU 68 HB2 GLU 68 -9.279 2.151 9.323 468 HB3 GLU 68 HB3 GLU 68 -8.092 1.447 10.417 469 HG2 GLU 68 HG2 GLU 68 -8.501 4.418 9.851 470 HG3 GLU 68 HG3 GLU 68 -8.985 3.549 11.300 471 H ALA 69 H ALA 69 -8.809 1.391 6.658 472 HA ALA 69 HA ALA 69 -8.152 -1.396 6.572 473 HB1 ALA 69 HB1 ALA 69 -9.512 -1.446 4.580 474 HB2 ALA 69 HB2 ALA 69 -10.284 -0.355 5.726 475 HB3 ALA 69 HB3 ALA 69 -9.368 0.300 4.354 476 H HIS 70 H HIS 70 -6.827 1.371 4.694 477 HA HIS 70 HA HIS 70 -5.132 -0.140 2.973 478 HB2 HIS 70 HB2 HIS 70 -4.585 2.622 4.146 479 HB3 HIS 70 HB3 HIS 70 -3.834 1.910 2.725 480 HD1 HIS 70 HD1 HIS 70 -7.097 0.973 1.853 481 HD2 HIS 70 HD2 HIS 70 -5.235 4.718 2.376 482 HE1 HIS 70 HE1 HIS 70 -8.411 2.698 0.481 483 H LYS 71 H LYS 71 -4.441 1.343 6.198 484 HA LYS 71 HA LYS 71 -1.906 0.105 6.559 485 HB2 LYS 71 HB2 LYS 71 -3.955 1.141 8.546 486 HB3 LYS 71 HB3 LYS 71 -2.352 0.549 9.018 487 HG2 LYS 71 HG2 LYS 71 -1.256 2.192 7.560 488 HG3 LYS 71 HG3 LYS 71 -2.814 2.815 7.018 489 HD2 LYS 71 HD2 LYS 71 -1.787 2.922 9.885 490 HD3 LYS 71 HD3 LYS 71 -1.709 4.243 8.710 491 HE2 LYS 71 HE2 LYS 71 -4.212 4.182 8.514 492 HE3 LYS 71 HE3 LYS 71 -4.250 2.942 9.775 493 HZ1 LYS 71 HZ1 LYS 71 -4.615 5.070 10.785 494 HZ2 LYS 71 HZ2 LYS 71 -3.247 5.715 10.102 495 HZ3 LYS 71 HZ3 LYS 71 -3.140 4.558 11.261 496 H GLU 72 H GLU 72 -5.114 -1.143 7.593 497 HA GLU 72 HA GLU 72 -4.101 -3.488 8.869 498 HB2 GLU 72 HB2 GLU 72 -6.422 -2.447 9.049 499 HB3 GLU 72 HB3 GLU 72 -6.792 -3.181 7.491 500 HG2 GLU 72 HG2 GLU 72 -7.686 -4.672 9.046 501 HG3 GLU 72 HG3 GLU 72 -6.159 -5.441 8.628 502 H SER 73 H SER 73 -5.212 -3.024 5.496 503 HA SER 73 HA SER 73 -4.739 -5.753 4.739 504 HB2 SER 73 HB2 SER 73 -5.096 -5.014 2.440 505 HB3 SER 73 HB3 SER 73 -6.367 -4.454 3.536 506 HG SER 73 HG SER 73 -5.583 -2.435 3.467 507 H MET 74 H MET 74 -2.642 -2.775 4.178 508 HA MET 74 HA MET 74 -0.608 -4.358 3.001 509 HB2 MET 74 HB2 MET 74 0.832 -2.545 3.141 510 HB3 MET 74 HB3 MET 74 -0.773 -1.858 2.892 511 HG2 MET 74 HG2 MET 74 -0.886 -1.450 5.373 512 HG3 MET 74 HG3 MET 74 0.786 -1.983 5.510 513 HE1 MET 74 HE1 MET 74 2.222 -0.617 2.917 514 HE2 MET 74 HE2 MET 74 2.765 0.882 3.698 515 HE3 MET 74 HE3 MET 74 2.872 -0.657 4.575 516 H ARG 75 H ARG 75 -1.146 -3.638 6.494 517 HA ARG 75 HA ARG 75 1.059 -5.110 7.453 518 HB2 ARG 75 HB2 ARG 75 -0.372 -3.616 8.785 519 HB3 ARG 75 HB3 ARG 75 -1.678 -4.799 8.764 520 HG2 ARG 75 HG2 ARG 75 1.090 -5.493 9.825 521 HG3 ARG 75 HG3 ARG 75 -0.074 -4.619 10.820 522 HD2 ARG 75 HD2 ARG 75 -1.685 -6.453 10.680 523 HD3 ARG 75 HD3 ARG 75 -0.618 -7.360 9.611 524 HE ARG 75 HE ARG 75 0.821 -7.870 11.340 525 HH11 ARG 75 HH11 ARG 75 -1.769 -5.747 12.580 526 HH12 ARG 75 HH12 ARG 75 -1.378 -6.089 14.251 527 HH21 ARG 75 HH21 ARG 75 1.291 -8.265 13.506 528 HH22 ARG 75 HH22 ARG 75 0.352 -7.510 14.773 529 H ALA 76 H ALA 76 -2.270 -6.301 6.716 530 HA ALA 76 HA ALA 76 -1.815 -9.014 7.314 531 HB1 ALA 76 HB1 ALA 76 -3.762 -9.451 5.864 532 HB2 ALA 76 HB2 ALA 76 -4.050 -8.036 6.889 533 HB3 ALA 76 HB3 ALA 76 -3.638 -7.819 5.178 534 H LEU 77 H LEU 77 -1.370 -7.374 4.115 535 HA LEU 77 HA LEU 77 -0.284 -9.581 2.726 536 HB2 LEU 77 HB2 LEU 77 0.220 -6.592 2.493 537 HB3 LEU 77 HB3 LEU 77 0.949 -7.753 1.395 538 HG LEU 77 HG LEU 77 -2.065 -7.457 1.748 539 HD11 LEU 77 HD11 LEU 77 -0.214 -6.376 -0.421 540 HD12 LEU 77 HD12 LEU 77 -1.033 -5.403 0.828 541 HD13 LEU 77 HD13 LEU 77 -1.983 -6.251 -0.393 542 HD21 LEU 77 HD21 LEU 77 -1.451 -9.663 0.857 543 HD22 LEU 77 HD22 LEU 77 -0.375 -8.905 -0.341 544 HD23 LEU 77 HD23 LEU 77 -2.132 -8.663 -0.429 545 H GLY 78 H GLY 78 1.542 -7.096 4.617 546 HA2 GLY 78 HA2 GLY 78 4.110 -8.246 4.266 547 HA3 GLY 78 HA3 GLY 78 3.621 -7.198 5.602 548 H PHE 79 H PHE 79 1.607 -9.058 6.662 549 HA PHE 79 HA PHE 79 3.223 -11.032 8.064 550 HB2 PHE 79 HB2 PHE 79 1.337 -9.753 9.054 551 HB3 PHE 79 HB3 PHE 79 0.215 -10.581 7.988 552 HD1 PHE 79 HD1 PHE 79 2.391 -10.898 10.955 553 HD2 PHE 79 HD2 PHE 79 -0.404 -12.947 8.385 554 HE1 PHE 79 HE1 PHE 79 2.128 -12.684 12.660 555 HE2 PHE 79 HE2 PHE 79 -0.638 -14.743 10.079 556 HZ PHE 79 HZ PHE 79 0.621 -14.613 12.217 557 H LYS 80 H LYS 80 1.173 -11.140 5.235 558 HA LYS 80 HA LYS 80 0.942 -14.057 5.152 559 HB2 LYS 80 HB2 LYS 80 -0.836 -12.436 4.501 560 HB3 LYS 80 HB3 LYS 80 0.128 -11.983 3.089 561 HG2 LYS 80 HG2 LYS 80 -0.019 -14.366 2.308 562 HG3 LYS 80 HG3 LYS 80 -1.009 -14.736 3.742 563 HD2 LYS 80 HD2 LYS 80 -2.620 -12.910 2.980 564 HD3 LYS 80 HD3 LYS 80 -1.698 -12.803 1.475 565 HE2 LYS 80 HE2 LYS 80 -3.182 -15.247 2.547 566 HE3 LYS 80 HE3 LYS 80 -3.709 -14.190 1.226 567 HZ1 LYS 80 HZ1 LYS 80 -1.330 -15.965 1.211 568 HZ2 LYS 80 HZ2 LYS 80 -1.692 -14.886 -0.003 569 HZ3 LYS 80 HZ3 LYS 80 -2.693 -16.126 0.324 570 H ILE 81 H ILE 81 2.528 -11.702 2.970 571 HA ILE 81 HA ILE 81 3.243 -13.815 1.148 572 HB ILE 81 HB ILE 81 4.083 -12.133 -0.321 573 HG12 ILE 81 HG12 ILE 81 3.968 -10.236 2.053 574 HG13 ILE 81 HG13 ILE 81 5.347 -10.676 1.079 575 HG21 ILE 81 HG21 ILE 81 1.558 -11.100 1.038 576 HG22 ILE 81 HG22 ILE 81 2.011 -10.953 -0.667 577 HG23 ILE 81 HG23 ILE 81 1.620 -12.539 -0.006 578 HD11 ILE 81 HD11 ILE 81 2.999 -8.961 0.193 579 HD12 ILE 81 HD12 ILE 81 4.669 -8.452 0.478 580 HD13 ILE 81 HD13 ILE 81 4.298 -9.526 -0.889 Start of MODEL 6 1 H ASN 1 H ASN 1 -7.091 9.174 -18.358 2 HA ASN 1 HA ASN 1 -5.687 9.434 -16.434 3 HB2 ASN 1 HB2 ASN 1 -6.462 11.556 -15.570 4 HB3 ASN 1 HB3 ASN 1 -8.079 10.917 -15.300 5 HD21 ASN 1 HD21 ASN 1 -4.679 10.235 -14.190 6 HD22 ASN 1 HD22 ASN 1 -5.267 9.840 -12.603 7 H GLY 2 H GLY 2 -9.121 8.921 -15.486 8 HA2 GLY 2 HA2 GLY 2 -10.269 6.966 -15.005 9 HA3 GLY 2 HA3 GLY 2 -8.998 6.039 -15.794 10 H ASN 3 H ASN 3 -7.703 7.953 -13.319 11 HA ASN 3 HA ASN 3 -6.937 5.582 -11.793 12 HB2 ASN 3 HB2 ASN 3 -5.592 7.647 -12.617 13 HB3 ASN 3 HB3 ASN 3 -6.102 8.358 -11.081 14 HD21 ASN 3 HD21 ASN 3 -3.573 8.022 -11.605 15 HD22 ASN 3 HD22 ASN 3 -2.869 6.559 -10.975 16 H ILE 4 H ILE 4 -6.821 5.776 -9.308 17 HA ILE 4 HA ILE 4 -8.996 6.627 -7.742 18 HB ILE 4 HB ILE 4 -6.000 6.669 -7.229 19 HG12 ILE 4 HG12 ILE 4 -6.502 4.858 -5.552 20 HG13 ILE 4 HG13 ILE 4 -8.121 4.737 -6.191 21 HG21 ILE 4 HG21 ILE 4 -6.722 8.283 -5.736 22 HG22 ILE 4 HG22 ILE 4 -8.196 7.363 -5.259 23 HG23 ILE 4 HG23 ILE 4 -6.575 6.863 -4.774 24 HD11 ILE 4 HD11 ILE 4 -5.499 4.382 -7.754 25 HD12 ILE 4 HD12 ILE 4 -6.419 3.062 -7.030 26 HD13 ILE 4 HD13 ILE 4 -7.134 3.987 -8.368 27 H ASN 5 H ASN 5 -9.814 8.680 -7.084 28 HA ASN 5 HA ASN 5 -8.312 11.139 -7.599 29 HB2 ASN 5 HB2 ASN 5 -10.802 11.013 -7.428 30 HB3 ASN 5 HB3 ASN 5 -10.656 10.605 -5.723 31 HD21 ASN 5 HD21 ASN 5 -10.829 13.154 -7.977 32 HD22 ASN 5 HD22 ASN 5 -10.638 14.444 -6.781 33 H TRP 6 H TRP 6 -6.404 11.528 -6.517 34 HA TRP 6 HA TRP 6 -5.881 10.144 -3.987 35 HB2 TRP 6 HB2 TRP 6 -4.070 11.968 -5.579 36 HB3 TRP 6 HB3 TRP 6 -3.595 10.906 -4.265 37 HD1 TRP 6 HD1 TRP 6 -3.543 11.046 -7.805 38 HE1 TRP 6 HE1 TRP 6 -3.303 8.737 -8.963 39 HE3 TRP 6 HE3 TRP 6 -4.274 8.118 -3.735 40 HZ2 TRP 6 HZ2 TRP 6 -2.863 6.021 -8.016 41 HZ3 TRP 6 HZ3 TRP 6 -3.864 5.677 -3.864 42 HH2 TRP 6 HH2 TRP 6 -3.270 4.599 -6.006 43 H ASN 7 H ASN 7 -7.679 12.818 -4.219 44 HA ASN 7 HA ASN 7 -6.259 14.275 -2.015 45 HB2 ASN 7 HB2 ASN 7 -5.785 15.328 -4.144 46 HB3 ASN 7 HB3 ASN 7 -7.511 15.429 -4.526 47 HD21 ASN 7 HD21 ASN 7 -5.428 16.309 -1.639 48 HD22 ASN 7 HD22 ASN 7 -6.161 17.910 -1.538 49 H SER 8 H SER 8 -9.543 13.839 -3.456 50 HA SER 8 HA SER 8 -10.770 15.060 -1.124 51 HB2 SER 8 HB2 SER 8 -11.993 13.565 -3.456 52 HB3 SER 8 HB3 SER 8 -12.900 14.390 -2.175 53 HG SER 8 HG SER 8 -11.852 16.337 -2.759 54 HA PRO 9 HA PRO 9 -11.878 10.740 0.391 55 HB2 PRO 9 HB2 PRO 9 -11.046 8.420 -0.715 56 HB3 PRO 9 HB3 PRO 9 -12.400 9.365 -1.404 57 HG2 PRO 9 HG2 PRO 9 -9.489 9.399 -2.253 58 HG3 PRO 9 HG3 PRO 9 -10.933 9.181 -3.295 59 HD2 PRO 9 HD2 PRO 9 -9.695 11.591 -2.934 60 HD3 PRO 9 HD3 PRO 9 -11.463 11.461 -3.182 61 H CYS 10 H CYS 10 -10.765 8.974 1.672 62 HA CYS 10 HA CYS 10 -8.465 10.164 2.880 63 HB2 CYS 10 HB2 CYS 10 -10.530 8.952 3.911 64 HB3 CYS 10 HB3 CYS 10 -9.529 7.508 3.753 65 H LEU 11 H LEU 11 -8.087 8.359 0.151 66 HA LEU 11 HA LEU 11 -5.513 7.295 0.973 67 HB2 LEU 11 HB2 LEU 11 -6.164 8.182 -1.846 68 HB3 LEU 11 HB3 LEU 11 -4.933 7.076 -1.306 69 HG LEU 11 HG LEU 11 -7.037 5.633 -0.459 70 HD11 LEU 11 HD11 LEU 11 -8.670 7.393 -1.175 71 HD12 LEU 11 HD12 LEU 11 -8.901 5.902 -2.088 72 HD13 LEU 11 HD13 LEU 11 -8.021 7.269 -2.823 73 HD21 LEU 11 HD21 LEU 11 -7.229 4.612 -2.809 74 HD22 LEU 11 HD22 LEU 11 -5.713 4.479 -1.956 75 HD23 LEU 11 HD23 LEU 11 -5.901 5.705 -3.212 76 H GLY 12 H GLY 12 -6.590 10.424 0.994 77 HA2 GLY 12 HA2 GLY 12 -4.892 12.102 -0.375 78 HA3 GLY 12 HA3 GLY 12 -5.584 12.498 1.185 79 H GLY 13 H GLY 13 -4.285 11.388 3.099 80 HA2 GLY 13 HA2 GLY 13 -1.537 12.288 3.014 81 HA3 GLY 13 HA3 GLY 13 -2.330 11.397 4.325 82 H MET 14 H MET 14 -3.089 9.094 2.781 83 HA MET 14 HA MET 14 -0.869 7.394 3.053 84 HB2 MET 14 HB2 MET 14 -3.554 7.044 2.552 85 HB3 MET 14 HB3 MET 14 -2.884 6.628 1.003 86 HG2 MET 14 HG2 MET 14 -3.061 4.642 2.333 87 HG3 MET 14 HG3 MET 14 -1.342 5.005 2.153 88 HE1 MET 14 HE1 MET 14 -2.470 2.874 4.181 89 HE2 MET 14 HE2 MET 14 -0.745 3.292 4.060 90 HE3 MET 14 HE3 MET 14 -1.543 3.253 5.648 91 H ALA 15 H ALA 15 -2.094 8.879 0.087 92 HA ALA 15 HA ALA 15 0.002 7.744 -1.567 93 HB1 ALA 15 HB1 ALA 15 -1.976 9.769 -2.636 94 HB2 ALA 15 HB2 ALA 15 -1.366 8.256 -3.330 95 HB3 ALA 15 HB3 ALA 15 -2.578 8.195 -2.070 96 H SER 16 H SER 16 0.075 10.368 0.376 97 HA SER 16 HA SER 16 2.128 11.870 -1.174 98 HB2 SER 16 HB2 SER 16 0.606 12.369 1.404 99 HB3 SER 16 HB3 SER 16 1.978 13.376 0.912 100 HG SER 16 HG SER 16 -0.359 13.871 0.198 101 H GLY 17 H GLY 17 3.974 12.720 0.502 102 HA2 GLY 17 HA2 GLY 17 5.671 12.104 2.083 103 HA3 GLY 17 HA3 GLY 17 4.985 10.513 2.175 104 HA PRO 18 HA PRO 18 9.210 10.448 -0.188 105 HB2 PRO 18 HB2 PRO 18 9.971 8.204 1.237 106 HB3 PRO 18 HB3 PRO 18 10.242 9.894 1.764 107 HG2 PRO 18 HG2 PRO 18 7.870 8.171 2.564 108 HG3 PRO 18 HG3 PRO 18 9.053 8.981 3.634 109 HD2 PRO 18 HD2 PRO 18 6.899 10.303 3.115 110 HD3 PRO 18 HD3 PRO 18 8.412 11.167 2.780 111 H CYS 19 H CYS 19 6.814 8.001 0.736 112 HA CYS 19 HA CYS 19 7.567 6.272 -1.589 113 HB2 CYS 19 HB2 CYS 19 6.354 5.600 1.104 114 HB3 CYS 19 HB3 CYS 19 6.745 4.426 -0.149 115 H GLY 20 H GLY 20 5.528 8.555 -1.424 116 HA2 GLY 20 HA2 GLY 20 2.884 7.576 -1.261 117 HA3 GLY 20 HA3 GLY 20 3.400 9.011 -2.164 118 H GLU 21 H GLU 21 5.093 7.783 -4.027 119 HA GLU 21 HA GLU 21 3.433 6.898 -6.155 120 HB2 GLU 21 HB2 GLU 21 5.478 6.607 -7.233 121 HB3 GLU 21 HB3 GLU 21 5.821 7.891 -6.104 122 HG2 GLU 21 HG2 GLU 21 6.712 5.930 -4.577 123 HG3 GLU 21 HG3 GLU 21 6.660 4.972 -6.048 124 H GLN 22 H GLN 22 5.137 4.913 -3.665 125 HA GLN 22 HA GLN 22 4.505 2.433 -4.964 126 HB2 GLN 22 HB2 GLN 22 4.835 2.603 -1.981 127 HB3 GLN 22 HB3 GLN 22 5.316 1.347 -3.111 128 HG2 GLN 22 HG2 GLN 22 6.673 3.982 -2.558 129 HG3 GLN 22 HG3 GLN 22 7.203 2.393 -2.137 130 HE21 GLN 22 HE21 GLN 22 8.931 4.134 -3.366 131 HE22 GLN 22 HE22 GLN 22 9.137 3.707 -5.053 132 H PHE 23 H PHE 23 2.764 4.455 -2.522 133 HA PHE 23 HA PHE 23 0.490 2.737 -2.436 134 HB2 PHE 23 HB2 PHE 23 1.067 4.922 -1.002 135 HB3 PHE 23 HB3 PHE 23 0.125 5.716 -2.253 136 HD1 PHE 23 HD1 PHE 23 0.023 2.671 -0.101 137 HD2 PHE 23 HD2 PHE 23 -2.290 5.898 -1.826 138 HE1 PHE 23 HE1 PHE 23 -2.025 1.754 0.948 139 HE2 PHE 23 HE2 PHE 23 -4.257 5.069 -0.588 140 HZ PHE 23 HZ PHE 23 -4.199 2.913 0.614 141 H LYS 24 H LYS 24 1.249 5.455 -4.667 142 HA LYS 24 HA LYS 24 -1.118 5.381 -6.169 143 HB2 LYS 24 HB2 LYS 24 1.592 5.868 -7.386 144 HB3 LYS 24 HB3 LYS 24 0.113 6.417 -8.001 145 HG2 LYS 24 HG2 LYS 24 1.340 7.443 -5.430 146 HG3 LYS 24 HG3 LYS 24 1.357 8.240 -7.003 147 HD2 LYS 24 HD2 LYS 24 -1.142 8.246 -6.914 148 HD3 LYS 24 HD3 LYS 24 -1.089 7.535 -5.339 149 HE2 LYS 24 HE2 LYS 24 -1.471 9.932 -5.152 150 HE3 LYS 24 HE3 LYS 24 0.096 9.516 -4.456 151 HZ1 LYS 24 HZ1 LYS 24 1.169 10.395 -6.437 152 HZ2 LYS 24 HZ2 LYS 24 0.158 11.517 -5.805 153 HZ3 LYS 24 HZ3 LYS 24 -0.273 10.722 -7.152 154 H SER 25 H SER 25 1.849 3.651 -6.780 155 HA SER 25 HA SER 25 0.977 2.077 -8.973 156 HB2 SER 25 HB2 SER 25 3.293 2.680 -8.361 157 HB3 SER 25 HB3 SER 25 3.229 1.611 -6.964 158 HG SER 25 HG SER 25 4.178 0.635 -8.797 159 H ALA 26 H ALA 26 1.173 1.187 -5.468 160 HA ALA 26 HA ALA 26 0.203 -1.478 -5.845 161 HB1 ALA 26 HB1 ALA 26 -0.106 -1.409 -3.377 162 HB2 ALA 26 HB2 ALA 26 1.473 -0.774 -3.864 163 HB3 ALA 26 HB3 ALA 26 0.161 0.335 -3.401 164 H PHE 27 H PHE 27 -1.616 1.363 -4.495 165 HA PHE 27 HA PHE 27 -4.038 -0.095 -4.622 166 HB2 PHE 27 HB2 PHE 27 -3.245 2.463 -3.566 167 HB3 PHE 27 HB3 PHE 27 -4.749 2.626 -4.453 168 HD1 PHE 27 HD1 PHE 27 -3.144 0.151 -2.087 169 HD2 PHE 27 HD2 PHE 27 -6.718 2.304 -3.174 170 HE1 PHE 27 HE1 PHE 27 -4.358 -0.890 -0.184 171 HE2 PHE 27 HE2 PHE 27 -7.913 1.307 -1.214 172 HZ PHE 27 HZ PHE 27 -6.737 -0.327 0.231 173 H SER 28 H SER 28 -2.669 2.140 -7.105 174 HA SER 28 HA SER 28 -4.998 1.851 -8.762 175 HB2 SER 28 HB2 SER 28 -3.344 3.657 -8.966 176 HB3 SER 28 HB3 SER 28 -2.220 2.506 -9.732 177 HG SER 28 HG SER 28 -4.281 3.881 -10.728 178 H CYS 29 H CYS 29 -1.864 -0.103 -8.824 179 HA CYS 29 HA CYS 29 -2.712 -1.830 -10.849 180 HB2 CYS 29 HB2 CYS 29 -0.464 -1.842 -9.811 181 HB3 CYS 29 HB3 CYS 29 -1.097 -2.589 -8.371 182 H PHE 30 H PHE 30 -3.460 -2.132 -7.349 183 HA PHE 30 HA PHE 30 -5.372 -4.198 -7.513 184 HB2 PHE 30 HB2 PHE 30 -4.701 -3.675 -5.366 185 HB3 PHE 30 HB3 PHE 30 -4.766 -1.952 -5.644 186 HD1 PHE 30 HD1 PHE 30 -7.350 -4.707 -5.794 187 HD2 PHE 30 HD2 PHE 30 -6.220 -0.840 -4.273 188 HE1 PHE 30 HE1 PHE 30 -9.620 -4.421 -4.817 189 HE2 PHE 30 HE2 PHE 30 -8.500 -0.538 -3.337 190 HZ PHE 30 HZ PHE 30 -10.211 -2.326 -3.630 191 H HIS 31 H HIS 31 -6.009 -0.662 -7.940 192 HA HIS 31 HA HIS 31 -8.843 -0.877 -8.135 193 HB2 HIS 31 HB2 HIS 31 -7.477 1.227 -7.794 194 HB3 HIS 31 HB3 HIS 31 -7.062 1.186 -9.503 195 HD1 HIS 31 HD1 HIS 31 -9.383 1.421 -11.219 196 HD2 HIS 31 HD2 HIS 31 -9.707 2.367 -7.119 197 HE1 HIS 31 HE1 HIS 31 -11.462 2.852 -10.972 198 H TYR 32 H TYR 32 -6.371 -0.936 -10.751 199 HA TYR 32 HA TYR 32 -8.355 -1.532 -12.774 200 HB2 TYR 32 HB2 TYR 32 -5.331 -1.538 -12.748 201 HB3 TYR 32 HB3 TYR 32 -6.269 -2.032 -14.146 202 HD1 TYR 32 HD1 TYR 32 -5.732 0.925 -11.834 203 HD2 TYR 32 HD2 TYR 32 -7.130 -0.434 -15.688 204 HE1 TYR 32 HE1 TYR 32 -5.903 3.250 -12.578 205 HE2 TYR 32 HE2 TYR 32 -7.276 1.935 -16.442 206 HH TYR 32 HH TYR 32 -6.952 4.167 -15.865 207 H SER 33 H SER 33 -6.771 -3.547 -10.433 208 HA SER 33 HA SER 33 -7.172 -6.041 -11.880 209 HB2 SER 33 HB2 SER 33 -5.357 -5.793 -10.139 210 HB3 SER 33 HB3 SER 33 -6.599 -5.622 -8.922 211 HG SER 33 HG SER 33 -6.510 -7.859 -10.676 212 H THR 34 H THR 34 -8.512 -5.035 -8.787 213 HA THR 34 HA THR 34 -10.307 -5.639 -7.566 214 HB THR 34 HB THR 34 -12.542 -5.289 -8.413 215 HG1 THR 34 HG1 THR 34 -12.546 -6.029 -10.452 216 HG21 THR 34 HG21 THR 34 -11.059 -3.364 -7.819 217 HG22 THR 34 HG22 THR 34 -12.248 -2.957 -9.067 218 HG23 THR 34 HG23 THR 34 -10.565 -3.257 -9.521 219 H GLU 35 H GLU 35 -8.849 -7.765 -8.066 220 HA GLU 35 HA GLU 35 -10.209 -9.940 -9.349 221 HB2 GLU 35 HB2 GLU 35 -7.580 -9.420 -8.271 222 HB3 GLU 35 HB3 GLU 35 -8.169 -10.894 -7.529 223 HG2 GLU 35 HG2 GLU 35 -8.791 -11.704 -9.869 224 HG3 GLU 35 HG3 GLU 35 -7.953 -10.268 -10.489 225 H GLU 36 H GLU 36 -9.652 -9.345 -5.905 226 HA GLU 36 HA GLU 36 -12.070 -10.607 -4.955 227 HB2 GLU 36 HB2 GLU 36 -10.749 -12.665 -5.694 228 HB3 GLU 36 HB3 GLU 36 -9.492 -12.204 -4.553 229 HG2 GLU 36 HG2 GLU 36 -11.159 -12.479 -2.692 230 HG3 GLU 36 HG3 GLU 36 -12.385 -12.876 -3.889 231 H ILE 37 H ILE 37 -8.734 -9.857 -4.342 232 HA ILE 37 HA ILE 37 -9.161 -8.820 -1.556 233 HB ILE 37 HB ILE 37 -7.057 -10.800 -2.519 234 HG12 ILE 37 HG12 ILE 37 -9.396 -11.061 -0.607 235 HG13 ILE 37 HG13 ILE 37 -9.070 -11.920 -2.122 236 HG21 ILE 37 HG21 ILE 37 -6.111 -10.753 -0.267 237 HG22 ILE 37 HG22 ILE 37 -5.994 -9.198 -1.038 238 HG23 ILE 37 HG23 ILE 37 -7.255 -9.471 0.201 239 HD11 ILE 37 HD11 ILE 37 -7.619 -12.308 0.501 240 HD12 ILE 37 HD12 ILE 37 -8.690 -13.442 -0.336 241 HD13 ILE 37 HD13 ILE 37 -7.115 -13.034 -1.052 242 H LYS 38 H LYS 38 -7.753 -7.049 -1.044 243 HA LYS 38 HA LYS 38 -6.771 -5.244 -2.900 244 HB2 LYS 38 HB2 LYS 38 -5.498 -5.873 -0.205 245 HB3 LYS 38 HB3 LYS 38 -5.156 -4.463 -1.195 246 HG2 LYS 38 HG2 LYS 38 -7.616 -5.062 0.410 247 HG3 LYS 38 HG3 LYS 38 -6.531 -3.676 0.443 248 HD2 LYS 38 HD2 LYS 38 -7.377 -2.931 -1.738 249 HD3 LYS 38 HD3 LYS 38 -8.488 -4.314 -1.836 250 HE2 LYS 38 HE2 LYS 38 -8.499 -2.391 0.478 251 HE3 LYS 38 HE3 LYS 38 -9.407 -2.028 -0.992 252 HZ1 LYS 38 HZ1 LYS 38 -10.692 -3.164 0.807 253 HZ2 LYS 38 HZ2 LYS 38 -9.834 -4.530 0.549 254 HZ3 LYS 38 HZ3 LYS 38 -10.789 -3.915 -0.645 255 H GLY 39 H GLY 39 -5.517 -5.787 -4.659 256 HA2 GLY 39 HA2 GLY 39 -3.538 -6.040 -5.746 257 HA3 GLY 39 HA3 GLY 39 -2.707 -6.007 -4.180 258 H SER 40 H SER 40 -5.008 -8.618 -4.550 259 HA SER 40 HA SER 40 -3.224 -10.733 -4.369 260 HB2 SER 40 HB2 SER 40 -5.594 -10.944 -4.092 261 HB3 SER 40 HB3 SER 40 -5.908 -10.557 -5.781 262 HG SER 40 HG SER 40 -5.951 -12.839 -5.142 263 H ASP 41 H ASP 41 -4.080 -9.065 -7.437 264 HA ASP 41 HA ASP 41 -2.194 -10.780 -8.912 265 HB2 ASP 41 HB2 ASP 41 -4.468 -9.969 -9.768 266 HB3 ASP 41 HB3 ASP 41 -3.704 -8.404 -10.014 267 H CYS 42 H CYS 42 -1.250 -8.552 -6.858 268 HA CYS 42 HA CYS 42 0.452 -6.885 -8.652 269 HB2 CYS 42 HB2 CYS 42 -1.805 -5.897 -6.886 270 HB3 CYS 42 HB3 CYS 42 -0.564 -4.835 -7.512 271 H VAL 43 H VAL 43 0.784 -8.858 -6.261 272 HA VAL 43 HA VAL 43 1.081 -7.344 -3.918 273 HB VAL 43 HB VAL 43 1.944 -9.170 -2.846 274 HG11 VAL 43 HG11 VAL 43 -0.333 -9.456 -3.566 275 HG12 VAL 43 HG12 VAL 43 0.209 -10.363 -5.005 276 HG13 VAL 43 HG13 VAL 43 0.507 -11.007 -3.379 277 HG21 VAL 43 HG21 VAL 43 2.847 -10.369 -5.489 278 HG22 VAL 43 HG22 VAL 43 3.883 -9.814 -4.141 279 HG23 VAL 43 HG23 VAL 43 2.851 -11.224 -3.931 280 H ASP 44 H ASP 44 3.483 -7.801 -6.480 281 HA ASP 44 HA ASP 44 5.741 -7.121 -4.918 282 HB2 ASP 44 HB2 ASP 44 5.577 -8.129 -7.300 283 HB3 ASP 44 HB3 ASP 44 5.526 -6.454 -7.859 284 H GLN 45 H GLN 45 3.300 -4.997 -6.370 285 HA GLN 45 HA GLN 45 4.779 -2.558 -6.018 286 HB2 GLN 45 HB2 GLN 45 1.835 -3.136 -6.394 287 HB3 GLN 45 HB3 GLN 45 2.517 -1.514 -6.230 288 HG2 GLN 45 HG2 GLN 45 2.241 -2.010 -8.562 289 HG3 GLN 45 HG3 GLN 45 3.938 -1.830 -8.190 290 HE21 GLN 45 HE21 GLN 45 1.418 -4.194 -9.070 291 HE22 GLN 45 HE22 GLN 45 2.558 -5.465 -9.474 292 H PHE 46 H PHE 46 2.414 -4.287 -3.959 293 HA PHE 46 HA PHE 46 2.590 -2.510 -1.688 294 HB2 PHE 46 HB2 PHE 46 1.848 -5.437 -1.903 295 HB3 PHE 46 HB3 PHE 46 1.655 -4.475 -0.455 296 HD1 PHE 46 HD1 PHE 46 0.437 -4.616 -4.035 297 HD2 PHE 46 HD2 PHE 46 -0.367 -3.309 0.004 298 HE1 PHE 46 HE1 PHE 46 -1.820 -3.811 -4.720 299 HE2 PHE 46 HE2 PHE 46 -2.599 -2.545 -0.689 300 HZ PHE 46 HZ PHE 46 -3.331 -2.781 -3.055 301 H ARG 47 H ARG 47 4.365 -5.484 -2.584 302 HA ARG 47 HA ARG 47 6.099 -5.621 -0.430 303 HB2 ARG 47 HB2 ARG 47 5.872 -7.231 -2.407 304 HB3 ARG 47 HB3 ARG 47 7.092 -6.226 -3.219 305 HG2 ARG 47 HG2 ARG 47 8.653 -6.604 -1.323 306 HG3 ARG 47 HG3 ARG 47 7.395 -7.506 -0.461 307 HD2 ARG 47 HD2 ARG 47 8.870 -9.119 -1.415 308 HD3 ARG 47 HD3 ARG 47 7.361 -9.181 -2.328 309 HE ARG 47 HE ARG 47 8.427 -8.353 -4.209 310 HH11 ARG 47 HH11 ARG 47 10.701 -8.184 -1.467 311 HH12 ARG 47 HH12 ARG 47 12.078 -7.855 -2.497 312 HH21 ARG 47 HH21 ARG 47 10.216 -7.928 -5.498 313 HH22 ARG 47 HH22 ARG 47 11.802 -7.711 -4.789 314 H ALA 48 H ALA 48 6.505 -3.624 -3.357 315 HA ALA 48 HA ALA 48 8.859 -2.281 -2.514 316 HB1 ALA 48 HB1 ALA 48 8.340 -0.649 -4.185 317 HB2 ALA 48 HB2 ALA 48 8.035 -2.301 -4.809 318 HB3 ALA 48 HB3 ALA 48 6.666 -1.259 -4.328 319 H MET 49 H MET 49 5.377 -1.417 -2.010 320 HA MET 49 HA MET 49 5.733 0.985 -0.637 321 HB2 MET 49 HB2 MET 49 3.558 -0.172 -1.318 322 HB3 MET 49 HB3 MET 49 3.714 -1.134 0.160 323 HG2 MET 49 HG2 MET 49 3.862 1.098 1.411 324 HG3 MET 49 HG3 MET 49 3.280 1.836 -0.083 325 HE1 MET 49 HE1 MET 49 -0.247 -0.038 -0.444 326 HE2 MET 49 HE2 MET 49 1.044 0.830 -1.311 327 HE3 MET 49 HE3 MET 49 1.239 -0.889 -0.907 328 H GLN 50 H GLN 50 5.785 -2.295 0.876 329 HA GLN 50 HA GLN 50 6.603 -1.397 3.430 330 HB2 GLN 50 HB2 GLN 50 5.702 -3.625 2.895 331 HB3 GLN 50 HB3 GLN 50 7.178 -4.045 2.027 332 HG2 GLN 50 HG2 GLN 50 8.478 -3.981 4.092 333 HG3 GLN 50 HG3 GLN 50 7.097 -3.330 4.990 334 HE21 GLN 50 HE21 GLN 50 8.244 -6.263 3.211 335 HE22 GLN 50 HE22 GLN 50 7.122 -7.346 4.026 336 H GLU 51 H GLU 51 8.671 -2.617 0.827 337 HA GLU 51 HA GLU 51 11.255 -2.239 1.928 338 HB2 GLU 51 HB2 GLU 51 10.776 -3.545 -0.009 339 HB3 GLU 51 HB3 GLU 51 10.055 -2.225 -0.864 340 HG2 GLU 51 HG2 GLU 51 11.951 -1.321 -1.614 341 HG3 GLU 51 HG3 GLU 51 12.961 -1.932 -0.263 342 H CYS 52 H CYS 52 9.193 0.170 0.460 343 HA CYS 52 HA CYS 52 11.273 2.252 0.582 344 HB2 CYS 52 HB2 CYS 52 9.556 2.060 -1.254 345 HB3 CYS 52 HB3 CYS 52 8.317 2.445 -0.079 346 H MET 53 H MET 53 8.235 1.447 2.385 347 HA MET 53 HA MET 53 8.366 3.954 3.811 348 HB2 MET 53 HB2 MET 53 6.536 1.552 4.095 349 HB3 MET 53 HB3 MET 53 6.439 2.977 5.141 350 HG2 MET 53 HG2 MET 53 6.195 4.442 3.169 351 HG3 MET 53 HG3 MET 53 6.208 3.025 2.113 352 HE1 MET 53 HE1 MET 53 3.961 5.337 2.115 353 HE2 MET 53 HE2 MET 53 3.983 3.959 0.991 354 HE3 MET 53 HE3 MET 53 2.506 4.343 1.906 355 H GLN 54 H GLN 54 9.560 0.781 4.433 356 HA GLN 54 HA GLN 54 10.242 0.833 7.124 357 HB2 GLN 54 HB2 GLN 54 11.904 -0.819 6.408 358 HB3 GLN 54 HB3 GLN 54 10.431 -1.011 5.543 359 HG2 GLN 54 HG2 GLN 54 11.990 -1.307 3.907 360 HG3 GLN 54 HG3 GLN 54 11.555 0.372 3.662 361 HE21 GLN 54 HE21 GLN 54 13.621 0.082 2.435 362 HE22 GLN 54 HE22 GLN 54 15.133 0.390 3.319 363 H LYS 55 H LYS 55 11.725 2.766 4.561 364 HA LYS 55 HA LYS 55 14.133 3.653 5.807 365 HB2 LYS 55 HB2 LYS 55 12.397 5.097 3.850 366 HB3 LYS 55 HB3 LYS 55 14.065 5.504 4.285 367 HG2 LYS 55 HG2 LYS 55 14.788 3.189 3.566 368 HG3 LYS 55 HG3 LYS 55 13.157 2.907 2.961 369 HD2 LYS 55 HD2 LYS 55 15.224 4.866 1.952 370 HD3 LYS 55 HD3 LYS 55 14.436 3.533 1.080 371 HE2 LYS 55 HE2 LYS 55 12.241 4.774 1.396 372 HE3 LYS 55 HE3 LYS 55 13.187 6.112 2.063 373 HZ1 LYS 55 HZ1 LYS 55 12.901 6.573 -0.278 374 HZ2 LYS 55 HZ2 LYS 55 13.295 5.026 -0.701 375 HZ3 LYS 55 HZ3 LYS 55 14.451 6.040 -0.137 376 H TYR 56 H TYR 56 10.873 4.725 6.588 377 HA TYR 56 HA TYR 56 12.039 6.962 8.165 378 HB2 TYR 56 HB2 TYR 56 9.930 7.405 6.022 379 HB3 TYR 56 HB3 TYR 56 10.665 8.571 7.095 380 HD1 TYR 56 HD1 TYR 56 13.457 8.192 7.075 381 HD2 TYR 56 HD2 TYR 56 10.747 7.630 3.792 382 HE1 TYR 56 HE1 TYR 56 15.233 8.818 5.515 383 HE2 TYR 56 HE2 TYR 56 12.509 8.386 2.197 384 HH TYR 56 HH TYR 56 14.790 9.066 1.989 385 HA PRO 57 HA PRO 57 8.317 5.897 10.474 386 HB2 PRO 57 HB2 PRO 57 9.100 6.580 12.976 387 HB3 PRO 57 HB3 PRO 57 9.815 5.184 12.112 388 HG2 PRO 57 HG2 PRO 57 10.931 7.994 12.344 389 HG3 PRO 57 HG3 PRO 57 11.790 6.445 12.617 390 HD2 PRO 57 HD2 PRO 57 11.891 7.836 10.246 391 HD3 PRO 57 HD3 PRO 57 12.002 6.054 10.339 392 H ASP 58 H ASP 58 9.725 9.171 10.749 393 HA ASP 58 HA ASP 58 7.024 10.357 10.983 394 HB2 ASP 58 HB2 ASP 58 7.878 9.564 13.199 395 HB3 ASP 58 HB3 ASP 58 8.976 10.959 13.089 396 H LEU 59 H LEU 59 7.653 11.057 8.984 397 HA LEU 59 HA LEU 59 9.624 13.256 8.783 398 HB2 LEU 59 HB2 LEU 59 10.973 11.428 8.544 399 HB3 LEU 59 HB3 LEU 59 9.770 10.406 7.850 400 HG LEU 59 HG LEU 59 11.764 10.766 6.547 401 HD11 LEU 59 HD11 LEU 59 9.778 9.978 5.409 402 HD12 LEU 59 HD12 LEU 59 10.779 10.974 4.352 403 HD13 LEU 59 HD13 LEU 59 9.289 11.649 5.035 404 HD21 LEU 59 HD21 LEU 59 11.799 13.290 7.037 405 HD22 LEU 59 HD22 LEU 59 10.742 13.382 5.599 406 HD23 LEU 59 HD23 LEU 59 12.351 12.651 5.454 407 H TYR 60 H TYR 60 6.658 12.080 8.113 408 HA TYR 60 HA TYR 60 5.940 13.775 5.810 409 HB2 TYR 60 HB2 TYR 60 5.117 11.811 4.489 410 HB3 TYR 60 HB3 TYR 60 6.844 11.999 4.597 411 HD1 TYR 60 HD1 TYR 60 7.950 10.546 6.654 412 HD2 TYR 60 HD2 TYR 60 4.556 9.522 4.270 413 HE1 TYR 60 HE1 TYR 60 8.216 8.307 7.417 414 HE2 TYR 60 HE2 TYR 60 5.073 7.129 4.676 415 HH TYR 60 HH TYR 60 7.590 6.085 7.005 416 H GLU 61 H GLU 61 -18.390 16.365 7.929 417 HA GLU 61 HA GLU 61 -17.842 14.860 6.140 418 HB2 GLU 61 HB2 GLU 61 -16.244 17.274 5.195 419 HB3 GLU 61 HB3 GLU 61 -15.888 15.635 4.658 420 HG2 GLU 61 HG2 GLU 61 -17.892 15.409 3.464 421 HG3 GLU 61 HG3 GLU 61 -18.685 16.716 4.343 422 H HIS 62 H HIS 62 -16.198 13.414 6.614 423 HA HIS 62 HA HIS 62 -13.671 14.479 7.730 424 HB2 HIS 62 HB2 HIS 62 -13.605 12.813 9.508 425 HB3 HIS 62 HB3 HIS 62 -15.004 13.855 9.673 426 HD1 HIS 62 HD1 HIS 62 -14.168 10.210 8.615 427 HD2 HIS 62 HD2 HIS 62 -17.365 12.721 9.742 428 HE1 HIS 62 HE1 HIS 62 -16.178 8.692 9.019 429 H CYS 63 H CYS 63 -11.940 12.723 7.824 430 HA CYS 63 HA CYS 63 -11.667 11.456 5.291 431 HB2 CYS 63 HB2 CYS 63 -10.015 12.210 7.288 432 HB3 CYS 63 HB3 CYS 63 -10.064 10.493 7.632 433 H GLY 64 H GLY 64 -12.241 9.466 4.575 434 HA2 GLY 64 HA2 GLY 64 -14.379 8.116 5.916 435 HA3 GLY 64 HA3 GLY 64 -13.643 7.647 4.392 436 H HIS 65 H HIS 65 -14.523 5.714 5.854 437 HA HIS 65 HA HIS 65 -12.698 4.656 7.838 438 HB2 HIS 65 HB2 HIS 65 -15.195 3.538 6.521 439 HB3 HIS 65 HB3 HIS 65 -14.304 2.717 7.804 440 HD1 HIS 65 HD1 HIS 65 -15.275 3.224 10.165 441 HD2 HIS 65 HD2 HIS 65 -15.909 6.298 7.357 442 HE1 HIS 65 HE1 HIS 65 -16.457 5.101 11.399 443 H LEU 66 H LEU 66 -12.528 4.480 4.443 444 HA LEU 66 HA LEU 66 -11.323 1.963 4.096 445 HB2 LEU 66 HB2 LEU 66 -10.487 2.740 1.990 446 HB3 LEU 66 HB3 LEU 66 -12.137 3.278 2.236 447 HG LEU 66 HG LEU 66 -9.660 5.049 2.517 448 HD11 LEU 66 HD11 LEU 66 -10.371 6.036 0.396 449 HD12 LEU 66 HD12 LEU 66 -11.765 4.933 0.314 450 HD13 LEU 66 HD13 LEU 66 -10.109 4.309 0.179 451 HD21 LEU 66 HD21 LEU 66 -12.638 5.693 2.623 452 HD22 LEU 66 HD22 LEU 66 -11.399 6.910 2.294 453 HD23 LEU 66 HD23 LEU 66 -11.377 6.071 3.837 454 H ILE 67 H ILE 67 -9.696 4.941 5.315 455 HA ILE 67 HA ILE 67 -7.094 3.989 4.737 456 HB ILE 67 HB ILE 67 -7.768 6.309 5.149 457 HG12 ILE 67 HG12 ILE 67 -5.366 5.415 5.104 458 HG13 ILE 67 HG13 ILE 67 -5.696 7.056 5.609 459 HG21 ILE 67 HG21 ILE 67 -7.632 5.631 8.120 460 HG22 ILE 67 HG22 ILE 67 -7.736 7.250 7.433 461 HG23 ILE 67 HG23 ILE 67 -9.074 6.118 7.203 462 HD11 ILE 67 HD11 ILE 67 -3.951 6.001 6.980 463 HD12 ILE 67 HD12 ILE 67 -5.333 6.503 7.958 464 HD13 ILE 67 HD13 ILE 67 -5.103 4.788 7.555 465 H GLU 68 H GLU 68 -8.994 3.542 7.721 466 HA GLU 68 HA GLU 68 -6.986 2.263 9.255 467 HB2 GLU 68 HB2 GLU 68 -9.438 3.050 9.842 468 HB3 GLU 68 HB3 GLU 68 -9.912 1.448 9.290 469 HG2 GLU 68 HG2 GLU 68 -9.662 1.120 11.573 470 HG3 GLU 68 HG3 GLU 68 -8.083 0.591 10.992 471 H ALA 69 H ALA 69 -9.318 0.926 6.933 472 HA ALA 69 HA ALA 69 -8.386 -1.766 6.996 473 HB1 ALA 69 HB1 ALA 69 -9.807 -2.047 5.017 474 HB2 ALA 69 HB2 ALA 69 -10.637 -1.089 6.254 475 HB3 ALA 69 HB3 ALA 69 -9.939 -0.293 4.824 476 H HIS 70 H HIS 70 -7.379 0.986 4.888 477 HA HIS 70 HA HIS 70 -5.567 -0.409 3.215 478 HB2 HIS 70 HB2 HIS 70 -5.108 2.362 4.415 479 HB3 HIS 70 HB3 HIS 70 -4.303 1.674 3.031 480 HD1 HIS 70 HD1 HIS 70 -7.708 0.871 2.106 481 HD2 HIS 70 HD2 HIS 70 -5.464 4.432 2.469 482 HE1 HIS 70 HE1 HIS 70 -8.723 2.594 0.547 483 H LYS 71 H LYS 71 -4.965 1.078 6.443 484 HA LYS 71 HA LYS 71 -2.273 0.212 6.667 485 HB2 LYS 71 HB2 LYS 71 -3.733 1.989 8.001 486 HB3 LYS 71 HB3 LYS 71 -3.948 0.661 9.127 487 HG2 LYS 71 HG2 LYS 71 -1.327 1.955 8.239 488 HG3 LYS 71 HG3 LYS 71 -2.126 2.117 9.801 489 HD2 LYS 71 HD2 LYS 71 -1.787 -0.424 10.058 490 HD3 LYS 71 HD3 LYS 71 -0.660 -0.302 8.695 491 HE2 LYS 71 HE2 LYS 71 0.719 1.326 9.921 492 HE3 LYS 71 HE3 LYS 71 -0.456 1.352 11.249 493 HZ1 LYS 71 HZ1 LYS 71 0.006 -0.993 11.633 494 HZ2 LYS 71 HZ2 LYS 71 1.387 -0.124 11.808 495 HZ3 LYS 71 HZ3 LYS 71 1.173 -1.009 10.457 496 H GLU 72 H GLU 72 -5.245 -1.330 8.037 497 HA GLU 72 HA GLU 72 -3.992 -3.631 9.139 498 HB2 GLU 72 HB2 GLU 72 -6.721 -3.237 7.864 499 HB3 GLU 72 HB3 GLU 72 -6.247 -4.751 8.615 500 HG2 GLU 72 HG2 GLU 72 -6.245 -2.086 10.090 501 HG3 GLU 72 HG3 GLU 72 -7.628 -3.172 10.034 502 H SER 73 H SER 73 -5.179 -3.165 5.750 503 HA SER 73 HA SER 73 -4.488 -5.787 4.890 504 HB2 SER 73 HB2 SER 73 -6.044 -4.401 3.646 505 HB3 SER 73 HB3 SER 73 -4.771 -3.221 3.296 506 HG SER 73 HG SER 73 -4.782 -5.960 2.442 507 H MET 74 H MET 74 -2.491 -2.720 4.537 508 HA MET 74 HA MET 74 -0.317 -4.176 3.426 509 HB2 MET 74 HB2 MET 74 1.013 -2.226 3.711 510 HB3 MET 74 HB3 MET 74 -0.601 -1.747 3.175 511 HG2 MET 74 HG2 MET 74 -1.186 -1.163 5.498 512 HG3 MET 74 HG3 MET 74 0.419 -1.625 6.055 513 HE1 MET 74 HE1 MET 74 2.723 1.163 4.641 514 HE2 MET 74 HE2 MET 74 2.615 -0.347 5.574 515 HE3 MET 74 HE3 MET 74 2.386 -0.362 3.809 516 H ARG 75 H ARG 75 -1.067 -3.551 6.868 517 HA ARG 75 HA ARG 75 1.342 -4.654 7.896 518 HB2 ARG 75 HB2 ARG 75 -0.329 -3.260 9.118 519 HB3 ARG 75 HB3 ARG 75 -1.386 -4.666 9.259 520 HG2 ARG 75 HG2 ARG 75 1.505 -4.682 10.231 521 HG3 ARG 75 HG3 ARG 75 0.208 -4.014 11.220 522 HD2 ARG 75 HD2 ARG 75 -0.923 -6.133 11.374 523 HD3 ARG 75 HD3 ARG 75 0.168 -6.877 10.199 524 HE ARG 75 HE ARG 75 1.572 -5.767 12.471 525 HH11 ARG 75 HH11 ARG 75 -0.159 -8.665 11.318 526 HH12 ARG 75 HH12 ARG 75 0.714 -9.738 12.391 527 HH21 ARG 75 HH21 ARG 75 2.682 -7.193 13.831 528 HH22 ARG 75 HH22 ARG 75 2.318 -8.904 13.813 529 H ALA 76 H ALA 76 -1.816 -6.207 7.298 530 HA ALA 76 HA ALA 76 -1.052 -8.859 8.012 531 HB1 ALA 76 HB1 ALA 76 -3.378 -8.070 7.914 532 HB2 ALA 76 HB2 ALA 76 -3.257 -7.879 6.149 533 HB3 ALA 76 HB3 ALA 76 -3.145 -9.494 6.881 534 H LEU 77 H LEU 77 -1.112 -7.291 4.749 535 HA LEU 77 HA LEU 77 -0.039 -9.475 3.315 536 HB2 LEU 77 HB2 LEU 77 -1.074 -7.463 2.370 537 HB3 LEU 77 HB3 LEU 77 0.314 -6.484 2.820 538 HG LEU 77 HG LEU 77 0.629 -8.909 1.001 539 HD11 LEU 77 HD11 LEU 77 0.316 -7.393 -0.937 540 HD12 LEU 77 HD12 LEU 77 -0.181 -6.093 0.176 541 HD13 LEU 77 HD13 LEU 77 -1.159 -7.562 0.021 542 HD21 LEU 77 HD21 LEU 77 2.750 -7.868 1.718 543 HD22 LEU 77 HD22 LEU 77 2.152 -6.265 1.246 544 HD23 LEU 77 HD23 LEU 77 2.467 -7.512 0.021 545 H GLY 78 H GLY 78 1.743 -6.833 5.040 546 HA2 GLY 78 HA2 GLY 78 4.369 -7.734 4.599 547 HA3 GLY 78 HA3 GLY 78 3.800 -6.904 6.056 548 H PHE 79 H PHE 79 2.143 -8.722 7.205 549 HA PHE 79 HA PHE 79 3.810 -10.700 8.447 550 HB2 PHE 79 HB2 PHE 79 2.001 -9.645 9.619 551 HB3 PHE 79 HB3 PHE 79 0.830 -10.134 8.416 552 HD1 PHE 79 HD1 PHE 79 2.882 -11.331 11.268 553 HD2 PHE 79 HD2 PHE 79 -0.213 -12.312 8.427 554 HE1 PHE 79 HE1 PHE 79 2.277 -13.328 12.610 555 HE2 PHE 79 HE2 PHE 79 -0.800 -14.319 9.762 556 HZ PHE 79 HZ PHE 79 0.443 -14.833 11.855 557 H LYS 80 H LYS 80 1.537 -10.992 5.751 558 HA LYS 80 HA LYS 80 1.620 -13.902 5.650 559 HB2 LYS 80 HB2 LYS 80 -0.372 -12.649 5.017 560 HB3 LYS 80 HB3 LYS 80 0.510 -11.813 3.734 561 HG2 LYS 80 HG2 LYS 80 0.841 -13.936 2.532 562 HG3 LYS 80 HG3 LYS 80 0.015 -14.825 3.812 563 HD2 LYS 80 HD2 LYS 80 -1.246 -12.615 2.127 564 HD3 LYS 80 HD3 LYS 80 -1.351 -14.320 1.723 565 HE2 LYS 80 HE2 LYS 80 -2.419 -13.127 4.323 566 HE3 LYS 80 HE3 LYS 80 -3.375 -13.344 2.856 567 HZ1 LYS 80 HZ1 LYS 80 -2.097 -15.528 4.407 568 HZ2 LYS 80 HZ2 LYS 80 -2.910 -15.749 2.984 569 HZ3 LYS 80 HZ3 LYS 80 -3.693 -15.216 4.324 570 H ILE 81 H ILE 81 3.115 -11.370 3.617 571 HA ILE 81 HA ILE 81 4.063 -13.313 1.675 572 HB ILE 81 HB ILE 81 4.456 -10.319 1.916 573 HG12 ILE 81 HG12 ILE 81 2.112 -10.936 1.537 574 HG13 ILE 81 HG13 ILE 81 2.798 -10.141 0.137 575 HG21 ILE 81 HG21 ILE 81 5.189 -12.160 -0.398 576 HG22 ILE 81 HG22 ILE 81 5.115 -10.390 -0.493 577 HG23 ILE 81 HG23 ILE 81 6.292 -11.160 0.571 578 HD11 ILE 81 HD11 ILE 81 1.321 -11.967 -0.519 579 HD12 ILE 81 HD12 ILE 81 2.974 -12.332 -1.031 580 HD13 ILE 81 HD13 ILE 81 2.279 -13.136 0.399 Start of MODEL 7 1 H ASN 1 H ASN 1 -7.011 5.050 -17.979 2 HA ASN 1 HA ASN 1 -5.743 6.402 -16.522 3 HB2 ASN 1 HB2 ASN 1 -6.664 8.590 -16.918 4 HB3 ASN 1 HB3 ASN 1 -8.262 8.105 -16.369 5 HD21 ASN 1 HD21 ASN 1 -4.905 8.824 -15.212 6 HD22 ASN 1 HD22 ASN 1 -5.517 9.216 -13.624 7 H GLY 2 H GLY 2 -9.219 6.003 -15.717 8 HA2 GLY 2 HA2 GLY 2 -10.294 4.679 -14.182 9 HA3 GLY 2 HA3 GLY 2 -8.969 3.527 -14.368 10 H ASN 3 H ASN 3 -8.141 6.708 -13.097 11 HA ASN 3 HA ASN 3 -6.928 5.311 -10.882 12 HB2 ASN 3 HB2 ASN 3 -6.008 7.151 -12.394 13 HB3 ASN 3 HB3 ASN 3 -6.745 8.250 -11.216 14 HD21 ASN 3 HD21 ASN 3 -4.307 8.528 -11.386 15 HD22 ASN 3 HD22 ASN 3 -3.246 7.443 -10.480 16 H ILE 4 H ILE 4 -6.962 5.888 -8.743 17 HA ILE 4 HA ILE 4 -9.201 6.796 -7.241 18 HB ILE 4 HB ILE 4 -6.198 6.874 -6.758 19 HG12 ILE 4 HG12 ILE 4 -6.606 5.093 -5.050 20 HG13 ILE 4 HG13 ILE 4 -8.249 4.927 -5.616 21 HG21 ILE 4 HG21 ILE 4 -6.706 7.141 -4.335 22 HG22 ILE 4 HG22 ILE 4 -7.015 8.533 -5.307 23 HG23 ILE 4 HG23 ILE 4 -8.387 7.504 -4.765 24 HD11 ILE 4 HD11 ILE 4 -6.603 3.226 -6.467 25 HD12 ILE 4 HD12 ILE 4 -7.329 4.114 -7.810 26 HD13 ILE 4 HD13 ILE 4 -5.676 4.520 -7.244 27 H ASN 5 H ASN 5 -9.880 8.887 -6.560 28 HA ASN 5 HA ASN 5 -8.218 11.218 -7.332 29 HB2 ASN 5 HB2 ASN 5 -10.599 11.395 -7.668 30 HB3 ASN 5 HB3 ASN 5 -10.921 10.960 -5.984 31 HD21 ASN 5 HD21 ASN 5 -8.737 13.368 -7.636 32 HD22 ASN 5 HD22 ASN 5 -9.174 14.659 -6.539 33 H TRP 6 H TRP 6 -6.484 11.577 -6.133 34 HA TRP 6 HA TRP 6 -6.139 10.329 -3.534 35 HB2 TRP 6 HB2 TRP 6 -4.287 12.205 -5.023 36 HB3 TRP 6 HB3 TRP 6 -3.860 11.112 -3.710 37 HD1 TRP 6 HD1 TRP 6 -3.974 11.347 -7.354 38 HE1 TRP 6 HE1 TRP 6 -3.654 9.086 -8.530 39 HE3 TRP 6 HE3 TRP 6 -4.327 8.349 -3.280 40 HZ2 TRP 6 HZ2 TRP 6 -3.162 6.334 -7.687 41 HZ3 TRP 6 HZ3 TRP 6 -3.908 5.928 -3.477 42 HH2 TRP 6 HH2 TRP 6 -3.418 4.884 -5.670 43 H ASN 7 H ASN 7 -5.446 13.739 -4.365 44 HA ASN 7 HA ASN 7 -5.961 15.745 -3.419 45 HB2 ASN 7 HB2 ASN 7 -8.201 14.804 -4.131 46 HB3 ASN 7 HB3 ASN 7 -8.493 14.407 -2.452 47 HD21 ASN 7 HD21 ASN 7 -7.977 17.019 -4.795 48 HD22 ASN 7 HD22 ASN 7 -8.581 18.297 -3.726 49 H SER 8 H SER 8 -7.617 15.861 -0.811 50 HA SER 8 HA SER 8 -5.288 15.831 1.032 51 HB2 SER 8 HB2 SER 8 -6.163 17.945 0.967 52 HB3 SER 8 HB3 SER 8 -7.828 17.386 0.868 53 HG SER 8 HG SER 8 -6.205 17.709 3.126 54 HA PRO 9 HA PRO 9 -8.133 13.402 3.887 55 HB2 PRO 9 HB2 PRO 9 -10.734 12.817 3.393 56 HB3 PRO 9 HB3 PRO 9 -10.224 14.461 3.876 57 HG2 PRO 9 HG2 PRO 9 -10.709 13.434 1.065 58 HG3 PRO 9 HG3 PRO 9 -11.400 14.896 1.836 59 HD2 PRO 9 HD2 PRO 9 -9.180 15.017 0.268 60 HD3 PRO 9 HD3 PRO 9 -9.372 16.052 1.715 61 H CYS 10 H CYS 10 -9.069 11.120 4.057 62 HA CYS 10 HA CYS 10 -9.122 8.912 3.561 63 HB2 CYS 10 HB2 CYS 10 -9.573 9.725 0.685 64 HB3 CYS 10 HB3 CYS 10 -9.945 8.176 1.412 65 H LEU 11 H LEU 11 -7.832 8.822 0.366 66 HA LEU 11 HA LEU 11 -5.358 7.639 1.300 67 HB2 LEU 11 HB2 LEU 11 -6.027 8.455 -1.552 68 HB3 LEU 11 HB3 LEU 11 -4.787 7.346 -1.032 69 HG LEU 11 HG LEU 11 -6.918 6.052 0.021 70 HD11 LEU 11 HD11 LEU 11 -8.573 7.666 -0.805 71 HD12 LEU 11 HD12 LEU 11 -8.742 6.156 -1.707 72 HD13 LEU 11 HD13 LEU 11 -7.887 7.536 -2.430 73 HD21 LEU 11 HD21 LEU 11 -5.394 4.913 -1.478 74 HD22 LEU 11 HD22 LEU 11 -6.070 5.779 -2.862 75 HD23 LEU 11 HD23 LEU 11 -7.052 4.628 -1.947 76 H GLY 12 H GLY 12 -6.092 10.936 1.038 77 HA2 GLY 12 HA2 GLY 12 -4.227 11.977 -0.761 78 HA3 GLY 12 HA3 GLY 12 -4.926 12.855 0.596 79 H GLY 13 H GLY 13 -3.738 11.649 2.785 80 HA2 GLY 13 HA2 GLY 13 -1.005 12.631 2.769 81 HA3 GLY 13 HA3 GLY 13 -1.837 11.807 4.092 82 H MET 14 H MET 14 -2.464 9.358 2.855 83 HA MET 14 HA MET 14 -0.104 7.811 3.060 84 HB2 MET 14 HB2 MET 14 -2.620 7.108 3.170 85 HB3 MET 14 HB3 MET 14 -2.495 6.945 1.447 86 HG2 MET 14 HG2 MET 14 -2.105 4.817 2.604 87 HG3 MET 14 HG3 MET 14 -0.664 5.313 1.714 88 HE1 MET 14 HE1 MET 14 -0.855 2.970 3.934 89 HE2 MET 14 HE2 MET 14 0.560 3.373 2.940 90 HE3 MET 14 HE3 MET 14 0.728 3.228 4.704 91 H ALA 15 H ALA 15 -1.715 9.091 0.223 92 HA ALA 15 HA ALA 15 0.181 7.961 -1.666 93 HB1 ALA 15 HB1 ALA 15 -2.415 8.393 -1.884 94 HB2 ALA 15 HB2 ALA 15 -1.922 10.030 -2.358 95 HB3 ALA 15 HB3 ALA 15 -1.347 8.607 -3.257 96 H SER 16 H SER 16 0.416 10.609 0.303 97 HA SER 16 HA SER 16 2.238 12.160 -1.470 98 HB2 SER 16 HB2 SER 16 1.258 12.676 1.363 99 HB3 SER 16 HB3 SER 16 2.295 13.744 0.419 100 HG SER 16 HG SER 16 -0.407 13.047 -0.009 101 H GLY 17 H GLY 17 4.402 12.734 -0.704 102 HA2 GLY 17 HA2 GLY 17 6.257 12.573 0.835 103 HA3 GLY 17 HA3 GLY 17 5.561 11.145 1.523 104 HA PRO 18 HA PRO 18 9.497 10.121 -1.043 105 HB2 PRO 18 HB2 PRO 18 9.916 8.262 1.136 106 HB3 PRO 18 HB3 PRO 18 10.879 9.668 0.609 107 HG2 PRO 18 HG2 PRO 18 8.835 9.496 2.747 108 HG3 PRO 18 HG3 PRO 18 10.228 10.618 2.598 109 HD2 PRO 18 HD2 PRO 18 7.732 11.481 2.172 110 HD3 PRO 18 HD3 PRO 18 9.056 12.015 1.110 111 H CYS 19 H CYS 19 6.967 8.137 0.456 112 HA CYS 19 HA CYS 19 7.429 5.984 -1.562 113 HB2 CYS 19 HB2 CYS 19 6.065 5.755 1.100 114 HB3 CYS 19 HB3 CYS 19 6.469 4.462 -0.055 115 H GLY 20 H GLY 20 5.549 8.555 -1.410 116 HA2 GLY 20 HA2 GLY 20 2.844 7.980 -1.602 117 HA3 GLY 20 HA3 GLY 20 3.668 9.184 -2.594 118 H GLU 21 H GLU 21 5.099 7.811 -4.412 119 HA GLU 21 HA GLU 21 3.139 6.744 -6.183 120 HB2 GLU 21 HB2 GLU 21 6.200 6.710 -6.233 121 HB3 GLU 21 HB3 GLU 21 5.211 5.944 -7.490 122 HG2 GLU 21 HG2 GLU 21 3.912 8.112 -7.567 123 HG3 GLU 21 HG3 GLU 21 5.291 8.880 -6.757 124 H GLN 22 H GLN 22 5.146 4.927 -3.781 125 HA GLN 22 HA GLN 22 4.462 2.442 -4.974 126 HB2 GLN 22 HB2 GLN 22 4.659 2.734 -1.974 127 HB3 GLN 22 HB3 GLN 22 5.083 1.392 -3.028 128 HG2 GLN 22 HG2 GLN 22 6.601 3.899 -2.405 129 HG3 GLN 22 HG3 GLN 22 7.056 2.241 -2.176 130 HE21 GLN 22 HE21 GLN 22 7.576 4.938 -3.955 131 HE22 GLN 22 HE22 GLN 22 8.260 4.250 -5.416 132 H PHE 23 H PHE 23 2.734 4.557 -2.641 133 HA PHE 23 HA PHE 23 0.423 2.899 -2.502 134 HB2 PHE 23 HB2 PHE 23 1.142 5.089 -1.100 135 HB3 PHE 23 HB3 PHE 23 0.140 5.888 -2.297 136 HD1 PHE 23 HD1 PHE 23 -0.001 2.684 -0.367 137 HD2 PHE 23 HD2 PHE 23 -2.118 6.296 -1.466 138 HE1 PHE 23 HE1 PHE 23 -1.971 1.910 0.908 139 HE2 PHE 23 HE2 PHE 23 -3.957 5.605 0.024 140 HZ PHE 23 HZ PHE 23 -3.983 3.351 1.028 141 H LYS 24 H LYS 24 1.141 5.642 -4.733 142 HA LYS 24 HA LYS 24 -1.317 5.631 -6.089 143 HB2 LYS 24 HB2 LYS 24 1.321 6.107 -7.456 144 HB3 LYS 24 HB3 LYS 24 -0.210 6.684 -7.955 145 HG2 LYS 24 HG2 LYS 24 1.201 7.647 -5.443 146 HG3 LYS 24 HG3 LYS 24 1.160 8.466 -7.009 147 HD2 LYS 24 HD2 LYS 24 -1.381 8.389 -6.773 148 HD3 LYS 24 HD3 LYS 24 -1.177 7.811 -5.178 149 HE2 LYS 24 HE2 LYS 24 -1.548 10.215 -5.094 150 HE3 LYS 24 HE3 LYS 24 0.143 9.910 -4.641 151 HZ1 LYS 24 HZ1 LYS 24 -0.552 10.625 -7.429 152 HZ2 LYS 24 HZ2 LYS 24 0.894 10.749 -6.634 153 HZ3 LYS 24 HZ3 LYS 24 -0.276 11.785 -6.264 154 H SER 25 H SER 25 1.593 3.897 -6.895 155 HA SER 25 HA SER 25 0.553 2.438 -9.118 156 HB2 SER 25 HB2 SER 25 2.839 3.168 -8.744 157 HB3 SER 25 HB3 SER 25 3.028 2.106 -7.384 158 HG SER 25 HG SER 25 3.906 1.385 -9.364 159 H ALA 26 H ALA 26 1.066 1.371 -5.675 160 HA ALA 26 HA ALA 26 -0.031 -1.229 -6.070 161 HB1 ALA 26 HB1 ALA 26 1.284 -0.603 -4.080 162 HB2 ALA 26 HB2 ALA 26 -0.007 0.510 -3.573 163 HB3 ALA 26 HB3 ALA 26 -0.301 -1.234 -3.610 164 H PHE 27 H PHE 27 -1.770 1.684 -4.728 165 HA PHE 27 HA PHE 27 -4.154 0.181 -4.664 166 HB2 PHE 27 HB2 PHE 27 -3.378 2.476 -3.437 167 HB3 PHE 27 HB3 PHE 27 -4.561 3.093 -4.586 168 HD1 PHE 27 HD1 PHE 27 -4.013 0.339 -2.086 169 HD2 PHE 27 HD2 PHE 27 -6.900 2.939 -3.960 170 HE1 PHE 27 HE1 PHE 27 -5.804 -0.591 -0.632 171 HE2 PHE 27 HE2 PHE 27 -8.670 2.056 -2.430 172 HZ PHE 27 HZ PHE 27 -8.130 0.247 -0.838 173 H SER 28 H SER 28 -3.023 2.480 -7.225 174 HA SER 28 HA SER 28 -5.366 2.102 -8.844 175 HB2 SER 28 HB2 SER 28 -4.122 2.958 -10.668 176 HB3 SER 28 HB3 SER 28 -3.768 3.910 -9.221 177 HG SER 28 HG SER 28 -1.817 3.029 -9.074 178 H CYS 29 H CYS 29 -2.222 0.198 -8.961 179 HA CYS 29 HA CYS 29 -3.089 -1.638 -10.875 180 HB2 CYS 29 HB2 CYS 29 -0.808 -1.514 -9.867 181 HB3 CYS 29 HB3 CYS 29 -1.378 -2.315 -8.432 182 H PHE 30 H PHE 30 -3.767 -1.830 -7.334 183 HA PHE 30 HA PHE 30 -5.514 -4.063 -7.440 184 HB2 PHE 30 HB2 PHE 30 -4.815 -3.461 -5.316 185 HB3 PHE 30 HB3 PHE 30 -5.085 -1.748 -5.583 186 HD1 PHE 30 HD1 PHE 30 -7.255 -4.855 -5.643 187 HD2 PHE 30 HD2 PHE 30 -6.765 -0.771 -4.329 188 HE1 PHE 30 HE1 PHE 30 -9.497 -4.913 -4.586 189 HE2 PHE 30 HE2 PHE 30 -9.006 -0.845 -3.282 190 HZ PHE 30 HZ PHE 30 -10.382 -2.904 -3.416 191 H HIS 31 H HIS 31 -6.376 -0.586 -7.777 192 HA HIS 31 HA HIS 31 -9.185 -0.976 -8.038 193 HB2 HIS 31 HB2 HIS 31 -7.861 1.176 -7.553 194 HB3 HIS 31 HB3 HIS 31 -7.561 1.280 -9.280 195 HD1 HIS 31 HD1 HIS 31 -9.390 2.715 -10.528 196 HD2 HIS 31 HD2 HIS 31 -10.604 1.151 -6.805 197 HE1 HIS 31 HE1 HIS 31 -11.680 3.675 -10.066 198 H TYR 32 H TYR 32 -6.626 -1.149 -10.415 199 HA TYR 32 HA TYR 32 -8.351 -1.528 -12.747 200 HB2 TYR 32 HB2 TYR 32 -5.416 -2.177 -12.355 201 HB3 TYR 32 HB3 TYR 32 -6.257 -2.057 -13.886 202 HD1 TYR 32 HD1 TYR 32 -7.484 0.809 -12.211 203 HD2 TYR 32 HD2 TYR 32 -3.802 -0.821 -13.782 204 HE1 TYR 32 HE1 TYR 32 -6.609 3.078 -12.521 205 HE2 TYR 32 HE2 TYR 32 -2.911 1.482 -14.043 206 HH TYR 32 HH TYR 32 -5.002 4.316 -13.562 207 H SER 33 H SER 33 -6.958 -3.606 -10.294 208 HA SER 33 HA SER 33 -7.227 -6.111 -11.772 209 HB2 SER 33 HB2 SER 33 -5.438 -5.741 -10.055 210 HB3 SER 33 HB3 SER 33 -6.679 -5.683 -8.815 211 HG SER 33 HG SER 33 -6.034 -7.850 -10.558 212 H THR 34 H THR 34 -8.645 -5.235 -8.618 213 HA THR 34 HA THR 34 -10.540 -5.871 -7.540 214 HB THR 34 HB THR 34 -12.719 -5.760 -8.687 215 HG1 THR 34 HG1 THR 34 -11.153 -6.008 -10.853 216 HG21 THR 34 HG21 THR 34 -11.622 -3.733 -7.767 217 HG22 THR 34 HG22 THR 34 -12.648 -3.393 -9.167 218 HG23 THR 34 HG23 THR 34 -10.877 -3.431 -9.352 219 H GLU 35 H GLU 35 -8.870 -7.914 -8.043 220 HA GLU 35 HA GLU 35 -10.404 -10.254 -8.791 221 HB2 GLU 35 HB2 GLU 35 -7.661 -9.742 -7.658 222 HB3 GLU 35 HB3 GLU 35 -8.318 -11.349 -7.491 223 HG2 GLU 35 HG2 GLU 35 -7.981 -9.783 -10.109 224 HG3 GLU 35 HG3 GLU 35 -6.959 -11.114 -9.561 225 H GLU 36 H GLU 36 -8.890 -9.982 -5.607 226 HA GLU 36 HA GLU 36 -11.399 -10.880 -4.283 227 HB2 GLU 36 HB2 GLU 36 -8.902 -12.622 -4.516 228 HB3 GLU 36 HB3 GLU 36 -10.191 -12.880 -3.336 229 HG2 GLU 36 HG2 GLU 36 -11.830 -13.120 -5.211 230 HG3 GLU 36 HG3 GLU 36 -10.485 -13.027 -6.357 231 H ILE 37 H ILE 37 -7.910 -10.265 -3.919 232 HA ILE 37 HA ILE 37 -8.466 -8.950 -1.264 233 HB ILE 37 HB ILE 37 -6.288 -10.841 -2.107 234 HG12 ILE 37 HG12 ILE 37 -8.247 -11.839 -1.111 235 HG13 ILE 37 HG13 ILE 37 -6.755 -12.104 -0.227 236 HG21 ILE 37 HG21 ILE 37 -4.958 -9.100 -1.179 237 HG22 ILE 37 HG22 ILE 37 -6.017 -8.977 0.255 238 HG23 ILE 37 HG23 ILE 37 -5.038 -10.429 -0.035 239 HD11 ILE 37 HD11 ILE 37 -8.983 -10.170 0.549 240 HD12 ILE 37 HD12 ILE 37 -8.639 -11.727 1.303 241 HD13 ILE 37 HD13 ILE 37 -7.473 -10.406 1.469 242 H LYS 38 H LYS 38 -7.118 -7.078 -0.761 243 HA LYS 38 HA LYS 38 -6.715 -5.300 -2.908 244 HB2 LYS 38 HB2 LYS 38 -5.130 -5.105 -0.326 245 HB3 LYS 38 HB3 LYS 38 -5.610 -3.813 -1.413 246 HG2 LYS 38 HG2 LYS 38 -7.301 -5.360 0.546 247 HG3 LYS 38 HG3 LYS 38 -6.867 -3.670 0.591 248 HD2 LYS 38 HD2 LYS 38 -8.542 -3.042 -0.893 249 HD3 LYS 38 HD3 LYS 38 -8.435 -4.535 -1.810 250 HE2 LYS 38 HE2 LYS 38 -10.565 -4.544 -0.812 251 HE3 LYS 38 HE3 LYS 38 -9.590 -5.789 -0.032 252 HZ1 LYS 38 HZ1 LYS 38 -9.293 -4.303 1.860 253 HZ2 LYS 38 HZ2 LYS 38 -10.877 -4.497 1.562 254 HZ3 LYS 38 HZ3 LYS 38 -10.152 -3.099 1.104 255 H GLY 39 H GLY 39 -5.543 -5.938 -4.631 256 HA2 GLY 39 HA2 GLY 39 -3.662 -6.160 -5.905 257 HA3 GLY 39 HA3 GLY 39 -2.657 -5.870 -4.479 258 H SER 40 H SER 40 -4.890 -8.671 -4.451 259 HA SER 40 HA SER 40 -2.926 -10.611 -4.063 260 HB2 SER 40 HB2 SER 40 -4.581 -12.261 -4.808 261 HB3 SER 40 HB3 SER 40 -5.270 -11.040 -3.763 262 HG SER 40 HG SER 40 -5.952 -11.690 -6.285 263 H ASP 41 H ASP 41 -3.859 -9.238 -7.131 264 HA ASP 41 HA ASP 41 -1.928 -10.976 -8.610 265 HB2 ASP 41 HB2 ASP 41 -4.438 -10.870 -9.190 266 HB3 ASP 41 HB3 ASP 41 -4.111 -9.255 -9.799 267 H CYS 42 H CYS 42 -1.496 -8.391 -7.037 268 HA CYS 42 HA CYS 42 0.152 -6.855 -9.013 269 HB2 CYS 42 HB2 CYS 42 -1.975 -5.817 -7.115 270 HB3 CYS 42 HB3 CYS 42 -0.712 -4.769 -7.712 271 H VAL 43 H VAL 43 0.818 -8.824 -6.758 272 HA VAL 43 HA VAL 43 1.130 -7.441 -4.350 273 HB VAL 43 HB VAL 43 2.082 -9.255 -3.388 274 HG11 VAL 43 HG11 VAL 43 -0.092 -9.861 -4.428 275 HG12 VAL 43 HG12 VAL 43 0.790 -10.598 -5.785 276 HG13 VAL 43 HG13 VAL 43 0.978 -11.226 -4.136 277 HG21 VAL 43 HG21 VAL 43 4.170 -9.513 -4.515 278 HG22 VAL 43 HG22 VAL 43 3.344 -11.067 -4.567 279 HG23 VAL 43 HG23 VAL 43 3.361 -10.047 -6.022 280 H ASP 44 H ASP 44 3.500 -7.612 -6.993 281 HA ASP 44 HA ASP 44 5.796 -6.865 -5.552 282 HB2 ASP 44 HB2 ASP 44 5.705 -7.654 -7.909 283 HB3 ASP 44 HB3 ASP 44 5.042 -6.092 -8.398 284 H GLN 45 H GLN 45 3.183 -4.741 -6.762 285 HA GLN 45 HA GLN 45 4.502 -2.259 -6.124 286 HB2 GLN 45 HB2 GLN 45 1.603 -2.973 -6.623 287 HB3 GLN 45 HB3 GLN 45 2.189 -1.348 -6.252 288 HG2 GLN 45 HG2 GLN 45 1.938 -1.562 -8.620 289 HG3 GLN 45 HG3 GLN 45 3.612 -1.303 -8.207 290 HE21 GLN 45 HE21 GLN 45 1.271 -3.854 -9.175 291 HE22 GLN 45 HE22 GLN 45 2.492 -4.911 -9.863 292 H PHE 46 H PHE 46 2.150 -4.283 -4.285 293 HA PHE 46 HA PHE 46 2.114 -2.578 -1.944 294 HB2 PHE 46 HB2 PHE 46 1.439 -5.506 -2.348 295 HB3 PHE 46 HB3 PHE 46 1.217 -4.647 -0.833 296 HD1 PHE 46 HD1 PHE 46 0.072 -4.486 -4.426 297 HD2 PHE 46 HD2 PHE 46 -0.774 -3.539 -0.296 298 HE1 PHE 46 HE1 PHE 46 -2.107 -3.483 -5.078 299 HE2 PHE 46 HE2 PHE 46 -2.925 -2.569 -0.940 300 HZ PHE 46 HZ PHE 46 -3.608 -2.513 -3.348 301 H ARG 47 H ARG 47 4.018 -5.439 -2.837 302 HA ARG 47 HA ARG 47 5.602 -5.673 -0.556 303 HB2 ARG 47 HB2 ARG 47 5.515 -7.236 -2.524 304 HB3 ARG 47 HB3 ARG 47 6.577 -6.120 -3.404 305 HG2 ARG 47 HG2 ARG 47 8.303 -6.395 -1.625 306 HG3 ARG 47 HG3 ARG 47 7.197 -7.466 -0.740 307 HD2 ARG 47 HD2 ARG 47 7.177 -8.997 -2.737 308 HD3 ARG 47 HD3 ARG 47 8.401 -7.966 -3.490 309 HE ARG 47 HE ARG 47 9.962 -8.535 -1.744 310 HH11 ARG 47 HH11 ARG 47 7.045 -10.600 -1.740 311 HH12 ARG 47 HH12 ARG 47 7.815 -11.844 -0.780 312 HH21 ARG 47 HH21 ARG 47 10.896 -10.172 -0.502 313 HH22 ARG 47 HH22 ARG 47 9.977 -11.597 -0.074 314 H ALA 48 H ALA 48 6.191 -3.620 -3.436 315 HA ALA 48 HA ALA 48 8.436 -2.242 -2.381 316 HB1 ALA 48 HB1 ALA 48 8.027 -0.633 -4.133 317 HB2 ALA 48 HB2 ALA 48 7.924 -2.305 -4.720 318 HB3 ALA 48 HB3 ALA 48 6.425 -1.369 -4.457 319 H MET 49 H MET 49 4.923 -1.479 -2.063 320 HA MET 49 HA MET 49 5.173 0.958 -0.681 321 HB2 MET 49 HB2 MET 49 3.029 -0.140 -1.505 322 HB3 MET 49 HB3 MET 49 3.111 -1.184 -0.081 323 HG2 MET 49 HG2 MET 49 3.275 1.094 1.233 324 HG3 MET 49 HG3 MET 49 2.564 1.761 -0.233 325 HE1 MET 49 HE1 MET 49 -0.836 -0.413 -0.334 326 HE2 MET 49 HE2 MET 49 0.260 0.611 -1.289 327 HE3 MET 49 HE3 MET 49 0.695 -1.076 -0.934 328 H GLN 50 H GLN 50 5.025 -2.322 0.832 329 HA GLN 50 HA GLN 50 5.714 -1.415 3.414 330 HB2 GLN 50 HB2 GLN 50 4.812 -3.632 3.063 331 HB3 GLN 50 HB3 GLN 50 6.150 -4.083 2.011 332 HG2 GLN 50 HG2 GLN 50 6.369 -5.143 4.203 333 HG3 GLN 50 HG3 GLN 50 7.720 -4.069 3.889 334 HE21 GLN 50 HE21 GLN 50 7.924 -4.367 6.346 335 HE22 GLN 50 HE22 GLN 50 7.025 -3.207 7.320 336 H GLU 51 H GLU 51 7.892 -2.703 0.930 337 HA GLU 51 HA GLU 51 10.382 -2.483 2.252 338 HB2 GLU 51 HB2 GLU 51 9.840 -3.728 0.202 339 HB3 GLU 51 HB3 GLU 51 9.495 -2.250 -0.644 340 HG2 GLU 51 HG2 GLU 51 11.489 -2.048 -1.429 341 HG3 GLU 51 HG3 GLU 51 12.239 -2.124 0.181 342 H CYS 52 H CYS 52 8.643 0.069 0.472 343 HA CYS 52 HA CYS 52 10.765 2.012 0.975 344 HB2 CYS 52 HB2 CYS 52 9.328 2.032 -1.058 345 HB3 CYS 52 HB3 CYS 52 7.950 2.484 -0.105 346 H MET 53 H MET 53 7.520 1.352 2.483 347 HA MET 53 HA MET 53 7.751 3.807 3.972 348 HB2 MET 53 HB2 MET 53 5.669 1.598 4.067 349 HB3 MET 53 HB3 MET 53 5.594 3.066 5.054 350 HG2 MET 53 HG2 MET 53 5.698 4.464 3.021 351 HG3 MET 53 HG3 MET 53 5.696 3.006 2.021 352 HE1 MET 53 HE1 MET 53 3.679 5.495 1.657 353 HE2 MET 53 HE2 MET 53 3.700 4.058 0.605 354 HE3 MET 53 HE3 MET 53 2.173 4.616 1.324 355 H GLN 54 H GLN 54 8.556 0.569 4.622 356 HA GLN 54 HA GLN 54 9.000 0.567 7.397 357 HB2 GLN 54 HB2 GLN 54 10.295 -1.409 6.885 358 HB3 GLN 54 HB3 GLN 54 8.958 -1.334 5.818 359 HG2 GLN 54 HG2 GLN 54 10.650 -2.028 4.442 360 HG3 GLN 54 HG3 GLN 54 10.583 -0.297 4.111 361 HE21 GLN 54 HE21 GLN 54 12.683 -0.349 3.302 362 HE22 GLN 54 HE22 GLN 54 14.081 -0.414 4.411 363 H LYS 55 H LYS 55 10.781 2.331 4.979 364 HA LYS 55 HA LYS 55 13.286 2.706 6.393 365 HB2 LYS 55 HB2 LYS 55 11.987 4.497 4.299 366 HB3 LYS 55 HB3 LYS 55 13.669 4.534 4.823 367 HG2 LYS 55 HG2 LYS 55 14.133 2.366 3.863 368 HG3 LYS 55 HG3 LYS 55 12.422 2.068 3.549 369 HD2 LYS 55 HD2 LYS 55 13.390 2.639 1.476 370 HD3 LYS 55 HD3 LYS 55 12.377 4.001 1.967 371 HE2 LYS 55 HE2 LYS 55 14.440 5.187 2.788 372 HE3 LYS 55 HE3 LYS 55 15.412 3.818 2.238 373 HZ1 LYS 55 HZ1 LYS 55 14.525 4.241 -0.031 374 HZ2 LYS 55 HZ2 LYS 55 15.375 5.524 0.507 375 HZ3 LYS 55 HZ3 LYS 55 13.740 5.562 0.504 376 H TYR 56 H TYR 56 10.384 4.798 6.182 377 HA TYR 56 HA TYR 56 11.646 6.591 8.214 378 HB2 TYR 56 HB2 TYR 56 9.521 7.568 6.386 379 HB3 TYR 56 HB3 TYR 56 10.714 8.365 7.359 380 HD1 TYR 56 HD1 TYR 56 13.261 7.214 6.923 381 HD2 TYR 56 HD2 TYR 56 10.089 7.739 4.041 382 HE1 TYR 56 HE1 TYR 56 14.919 7.266 5.114 383 HE2 TYR 56 HE2 TYR 56 11.787 7.870 2.213 384 HH TYR 56 HH TYR 56 14.032 8.037 1.723 385 HA PRO 57 HA PRO 57 8.067 5.396 10.718 386 HB2 PRO 57 HB2 PRO 57 8.971 6.202 13.152 387 HB3 PRO 57 HB3 PRO 57 9.643 4.774 12.306 388 HG2 PRO 57 HG2 PRO 57 10.778 7.586 12.397 389 HG3 PRO 57 HG3 PRO 57 11.642 6.038 12.649 390 HD2 PRO 57 HD2 PRO 57 11.642 7.321 10.247 391 HD3 PRO 57 HD3 PRO 57 11.687 5.543 10.394 392 H ASP 58 H ASP 58 9.253 8.720 10.189 393 HA ASP 58 HA ASP 58 6.848 9.913 11.431 394 HB2 ASP 58 HB2 ASP 58 9.373 9.423 12.868 395 HB3 ASP 58 HB3 ASP 58 8.935 11.125 12.891 396 H LEU 59 H LEU 59 9.217 10.026 9.220 397 HA LEU 59 HA LEU 59 10.082 12.765 9.294 398 HB2 LEU 59 HB2 LEU 59 11.785 11.805 8.202 399 HB3 LEU 59 HB3 LEU 59 10.988 10.336 8.378 400 HG LEU 59 HG LEU 59 11.701 10.259 6.269 401 HD11 LEU 59 HD11 LEU 59 9.881 9.996 4.869 402 HD12 LEU 59 HD12 LEU 59 9.002 11.361 5.535 403 HD13 LEU 59 HD13 LEU 59 9.160 9.862 6.476 404 HD21 LEU 59 HD21 LEU 59 10.668 13.001 5.600 405 HD22 LEU 59 HD22 LEU 59 11.523 11.871 4.539 406 HD23 LEU 59 HD23 LEU 59 12.359 12.568 5.956 407 H TYR 60 H TYR 60 7.376 11.460 8.316 408 HA TYR 60 HA TYR 60 6.333 13.649 6.649 409 HB2 TYR 60 HB2 TYR 60 5.236 11.916 5.147 410 HB3 TYR 60 HB3 TYR 60 6.938 12.202 4.952 411 HD1 TYR 60 HD1 TYR 60 6.620 9.916 7.811 412 HD2 TYR 60 HD2 TYR 60 6.643 10.167 3.504 413 HE1 TYR 60 HE1 TYR 60 7.126 7.629 7.725 414 HE2 TYR 60 HE2 TYR 60 7.197 7.810 3.395 415 HH TYR 60 HH TYR 60 7.582 5.800 6.383 416 H GLU 61 H GLU 61 -10.005 13.577 12.393 417 HA GLU 61 HA GLU 61 -10.903 14.299 10.336 418 HB2 GLU 61 HB2 GLU 61 -9.720 11.515 10.043 419 HB3 GLU 61 HB3 GLU 61 -9.845 12.721 8.761 420 HG2 GLU 61 HG2 GLU 61 -8.403 14.269 10.069 421 HG3 GLU 61 HG3 GLU 61 -8.208 13.027 11.311 422 H HIS 62 H HIS 62 -12.240 14.039 8.592 423 HA HIS 62 HA HIS 62 -14.803 12.838 9.142 424 HB2 HIS 62 HB2 HIS 62 -14.517 15.025 8.068 425 HB3 HIS 62 HB3 HIS 62 -13.676 14.283 6.708 426 HD1 HIS 62 HD1 HIS 62 -15.255 14.068 4.657 427 HD2 HIS 62 HD2 HIS 62 -17.183 13.718 8.392 428 HE1 HIS 62 HE1 HIS 62 -17.722 13.621 4.163 429 H CYS 63 H CYS 63 -12.115 11.802 7.181 430 HA CYS 63 HA CYS 63 -13.645 9.413 6.219 431 HB2 CYS 63 HB2 CYS 63 -13.047 11.079 4.464 432 HB3 CYS 63 HB3 CYS 63 -11.349 10.856 4.854 433 H GLY 64 H GLY 64 -12.855 7.447 6.650 434 HA2 GLY 64 HA2 GLY 64 -10.066 6.917 7.389 435 HA3 GLY 64 HA3 GLY 64 -11.191 6.879 8.741 436 H HIS 65 H HIS 65 -13.293 5.666 6.696 437 HA HIS 65 HA HIS 65 -13.073 3.059 7.707 438 HB2 HIS 65 HB2 HIS 65 -15.147 4.073 6.898 439 HB3 HIS 65 HB3 HIS 65 -14.543 4.075 5.242 440 HD1 HIS 65 HD1 HIS 65 -14.571 1.073 7.751 441 HD2 HIS 65 HD2 HIS 65 -16.153 2.390 4.073 442 HE1 HIS 65 HE1 HIS 65 -15.880 -0.889 6.789 443 H LEU 66 H LEU 66 -12.353 4.001 4.289 444 HA LEU 66 HA LEU 66 -10.953 1.591 3.705 445 HB2 LEU 66 HB2 LEU 66 -10.293 2.574 1.655 446 HB3 LEU 66 HB3 LEU 66 -11.941 3.068 1.997 447 HG LEU 66 HG LEU 66 -9.456 4.810 2.326 448 HD11 LEU 66 HD11 LEU 66 -11.707 4.856 0.273 449 HD12 LEU 66 HD12 LEU 66 -10.041 4.311 -0.020 450 HD13 LEU 66 HD13 LEU 66 -10.356 6.006 0.367 451 HD21 LEU 66 HD21 LEU 66 -12.395 5.473 2.724 452 HD22 LEU 66 HD22 LEU 66 -11.131 6.676 2.475 453 HD23 LEU 66 HD23 LEU 66 -11.061 5.659 3.902 454 H ILE 67 H ILE 67 -9.729 4.587 5.220 455 HA ILE 67 HA ILE 67 -6.997 3.999 4.751 456 HB ILE 67 HB ILE 67 -8.436 6.107 5.838 457 HG12 ILE 67 HG12 ILE 67 -6.566 6.291 4.329 458 HG13 ILE 67 HG13 ILE 67 -6.410 7.368 5.705 459 HG21 ILE 67 HG21 ILE 67 -7.383 6.760 7.911 460 HG22 ILE 67 HG22 ILE 67 -8.254 5.258 8.147 461 HG23 ILE 67 HG23 ILE 67 -6.490 5.236 8.013 462 HD11 ILE 67 HD11 ILE 67 -4.704 5.894 6.715 463 HD12 ILE 67 HD12 ILE 67 -4.881 4.746 5.369 464 HD13 ILE 67 HD13 ILE 67 -4.251 6.374 5.075 465 H GLU 68 H GLU 68 -9.041 3.097 7.542 466 HA GLU 68 HA GLU 68 -6.997 1.614 8.881 467 HB2 GLU 68 HB2 GLU 68 -10.019 1.283 8.871 468 HB3 GLU 68 HB3 GLU 68 -8.898 0.394 9.924 469 HG2 GLU 68 HG2 GLU 68 -8.027 2.663 10.714 470 HG3 GLU 68 HG3 GLU 68 -9.384 3.392 9.857 471 H ALA 69 H ALA 69 -9.237 0.633 6.247 472 HA ALA 69 HA ALA 69 -8.265 -2.054 6.099 473 HB1 ALA 69 HB1 ALA 69 -9.560 -0.369 3.921 474 HB2 ALA 69 HB2 ALA 69 -9.418 -2.132 3.962 475 HB3 ALA 69 HB3 ALA 69 -10.419 -1.305 5.164 476 H HIS 70 H HIS 70 -7.034 0.954 4.577 477 HA HIS 70 HA HIS 70 -5.056 -0.264 2.914 478 HB2 HIS 70 HB2 HIS 70 -4.837 2.407 4.365 479 HB3 HIS 70 HB3 HIS 70 -3.907 1.880 2.979 480 HD1 HIS 70 HD1 HIS 70 -6.870 0.848 1.520 481 HD2 HIS 70 HD2 HIS 70 -5.555 4.608 2.901 482 HE1 HIS 70 HE1 HIS 70 -8.131 2.654 0.193 483 H LYS 71 H LYS 71 -4.724 1.110 6.237 484 HA LYS 71 HA LYS 71 -2.182 0.060 6.861 485 HB2 LYS 71 HB2 LYS 71 -3.292 1.724 8.259 486 HB3 LYS 71 HB3 LYS 71 -4.592 0.593 8.649 487 HG2 LYS 71 HG2 LYS 71 -2.974 -0.888 9.811 488 HG3 LYS 71 HG3 LYS 71 -1.659 0.233 9.444 489 HD2 LYS 71 HD2 LYS 71 -4.140 1.097 10.979 490 HD3 LYS 71 HD3 LYS 71 -2.812 0.256 11.778 491 HE2 LYS 71 HE2 LYS 71 -1.233 2.011 11.117 492 HE3 LYS 71 HE3 LYS 71 -2.523 2.891 10.268 493 HZ1 LYS 71 HZ1 LYS 71 -1.991 3.567 12.675 494 HZ2 LYS 71 HZ2 LYS 71 -2.763 2.198 13.126 495 HZ3 LYS 71 HZ3 LYS 71 -3.587 3.349 12.291 496 H GLU 72 H GLU 72 -5.359 -1.524 7.355 497 HA GLU 72 HA GLU 72 -4.309 -3.816 8.673 498 HB2 GLU 72 HB2 GLU 72 -6.657 -3.018 8.742 499 HB3 GLU 72 HB3 GLU 72 -6.883 -3.549 7.070 500 HG2 GLU 72 HG2 GLU 72 -6.494 -5.880 7.747 501 HG3 GLU 72 HG3 GLU 72 -6.121 -5.361 9.399 502 H SER 73 H SER 73 -5.171 -3.400 5.191 503 HA SER 73 HA SER 73 -4.331 -6.043 4.464 504 HB2 SER 73 HB2 SER 73 -4.430 -5.234 2.133 505 HB3 SER 73 HB3 SER 73 -5.896 -4.910 3.064 506 HG SER 73 HG SER 73 -5.308 -2.786 3.275 507 H MET 74 H MET 74 -2.518 -2.879 4.181 508 HA MET 74 HA MET 74 -0.226 -4.241 3.210 509 HB2 MET 74 HB2 MET 74 0.901 -2.244 3.200 510 HB3 MET 74 HB3 MET 74 -0.773 -1.852 2.868 511 HG2 MET 74 HG2 MET 74 -0.117 -0.162 4.316 512 HG3 MET 74 HG3 MET 74 -0.961 -1.274 5.382 513 HE1 MET 74 HE1 MET 74 2.876 -1.566 4.042 514 HE2 MET 74 HE2 MET 74 2.483 0.164 4.200 515 HE3 MET 74 HE3 MET 74 3.643 -0.600 5.310 516 H ARG 75 H ARG 75 -1.072 -3.507 6.645 517 HA ARG 75 HA ARG 75 1.234 -4.869 7.670 518 HB2 ARG 75 HB2 ARG 75 -1.514 -4.342 8.852 519 HB3 ARG 75 HB3 ARG 75 -0.254 -5.178 9.733 520 HG2 ARG 75 HG2 ARG 75 -0.072 -2.321 8.683 521 HG3 ARG 75 HG3 ARG 75 -0.304 -2.822 10.356 522 HD2 ARG 75 HD2 ARG 75 2.172 -3.193 8.635 523 HD3 ARG 75 HD3 ARG 75 1.995 -2.167 10.056 524 HE ARG 75 HE ARG 75 1.534 -4.388 11.294 525 HH11 ARG 75 HH11 ARG 75 3.860 -4.121 8.597 526 HH12 ARG 75 HH12 ARG 75 4.780 -5.511 9.130 527 HH21 ARG 75 HH21 ARG 75 2.749 -6.178 11.926 528 HH22 ARG 75 HH22 ARG 75 4.148 -6.676 11.000 529 H ALA 76 H ALA 76 -1.974 -6.221 6.683 530 HA ALA 76 HA ALA 76 -1.365 -8.871 7.480 531 HB1 ALA 76 HB1 ALA 76 -3.615 -8.147 6.830 532 HB2 ALA 76 HB2 ALA 76 -3.075 -7.904 5.152 533 HB3 ALA 76 HB3 ALA 76 -3.104 -9.527 5.855 534 H LEU 77 H LEU 77 -0.509 -7.197 4.372 535 HA LEU 77 HA LEU 77 1.090 -9.370 3.445 536 HB2 LEU 77 HB2 LEU 77 0.283 -7.595 2.010 537 HB3 LEU 77 HB3 LEU 77 1.303 -6.403 2.807 538 HG LEU 77 HG LEU 77 2.691 -8.858 1.734 539 HD11 LEU 77 HD11 LEU 77 2.765 -7.923 -0.562 540 HD12 LEU 77 HD12 LEU 77 1.555 -6.712 -0.080 541 HD13 LEU 77 HD13 LEU 77 1.139 -8.431 -0.083 542 HD21 LEU 77 HD21 LEU 77 3.336 -5.878 1.536 543 HD22 LEU 77 HD22 LEU 77 4.394 -7.222 1.061 544 HD23 LEU 77 HD23 LEU 77 3.987 -6.986 2.763 545 H GLY 78 H GLY 78 2.062 -6.515 5.444 546 HA2 GLY 78 HA2 GLY 78 4.790 -7.144 5.786 547 HA3 GLY 78 HA3 GLY 78 3.782 -6.289 6.959 548 H PHE 79 H PHE 79 2.010 -8.521 7.458 549 HA PHE 79 HA PHE 79 3.485 -10.266 9.236 550 HB2 PHE 79 HB2 PHE 79 1.215 -9.484 9.687 551 HB3 PHE 79 HB3 PHE 79 0.613 -10.260 8.237 552 HD1 PHE 79 HD1 PHE 79 2.235 -10.973 11.521 553 HD2 PHE 79 HD2 PHE 79 -0.235 -12.470 8.343 554 HE1 PHE 79 HE1 PHE 79 1.751 -13.008 12.871 555 HE2 PHE 79 HE2 PHE 79 -0.757 -14.493 9.699 556 HZ PHE 79 HZ PHE 79 0.257 -14.775 11.951 557 H LYS 80 H LYS 80 1.846 -10.808 6.097 558 HA LYS 80 HA LYS 80 2.471 -13.612 5.906 559 HB2 LYS 80 HB2 LYS 80 0.559 -12.320 4.865 560 HB3 LYS 80 HB3 LYS 80 1.688 -11.726 3.648 561 HG2 LYS 80 HG2 LYS 80 2.074 -14.059 2.890 562 HG3 LYS 80 HG3 LYS 80 1.042 -14.661 4.201 563 HD2 LYS 80 HD2 LYS 80 -0.879 -13.333 3.215 564 HD3 LYS 80 HD3 LYS 80 0.180 -12.911 1.852 565 HE2 LYS 80 HE2 LYS 80 0.498 -15.368 1.421 566 HE3 LYS 80 HE3 LYS 80 -0.644 -15.722 2.727 567 HZ1 LYS 80 HZ1 LYS 80 -1.780 -15.776 0.645 568 HZ2 LYS 80 HZ2 LYS 80 -1.262 -14.273 0.208 569 HZ3 LYS 80 HZ3 LYS 80 -2.339 -14.489 1.459 570 H ILE 81 H ILE 81 4.221 -10.823 4.747 571 HA ILE 81 HA ILE 81 5.804 -12.057 2.759 572 HB ILE 81 HB ILE 81 5.374 -9.641 2.966 573 HG12 ILE 81 HG12 ILE 81 8.306 -10.419 2.728 574 HG13 ILE 81 HG13 ILE 81 7.078 -10.455 1.461 575 HG21 ILE 81 HG21 ILE 81 7.592 -9.530 5.043 576 HG22 ILE 81 HG22 ILE 81 6.548 -8.212 4.480 577 HG23 ILE 81 HG23 ILE 81 5.862 -9.509 5.449 578 HD11 ILE 81 HD11 ILE 81 8.181 -7.973 2.848 579 HD12 ILE 81 HD12 ILE 81 8.449 -8.474 1.181 580 HD13 ILE 81 HD13 ILE 81 6.826 -7.964 1.691 Start of MODEL 8 1 H ASN 1 H ASN 1 -11.294 4.153 -17.090 2 HA ASN 1 HA ASN 1 -9.108 4.991 -17.018 3 HB2 ASN 1 HB2 ASN 1 -9.736 7.337 -16.423 4 HB3 ASN 1 HB3 ASN 1 -9.997 6.833 -14.761 5 HD21 ASN 1 HD21 ASN 1 -8.178 8.072 -13.851 6 HD22 ASN 1 HD22 ASN 1 -6.524 7.675 -14.341 7 H GLY 2 H GLY 2 -10.611 5.045 -13.781 8 HA2 GLY 2 HA2 GLY 2 -10.799 2.998 -12.420 9 HA3 GLY 2 HA3 GLY 2 -9.260 2.453 -13.077 10 H ASN 3 H ASN 3 -8.631 5.588 -12.598 11 HA ASN 3 HA ASN 3 -7.014 5.074 -10.241 12 HB2 ASN 3 HB2 ASN 3 -6.217 6.246 -12.257 13 HB3 ASN 3 HB3 ASN 3 -7.339 7.572 -11.836 14 HD21 ASN 3 HD21 ASN 3 -6.474 9.147 -10.899 15 HD22 ASN 3 HD22 ASN 3 -5.513 8.972 -9.461 16 H ILE 4 H ILE 4 -6.831 6.191 -8.460 17 HA ILE 4 HA ILE 4 -9.172 6.972 -6.925 18 HB ILE 4 HB ILE 4 -6.181 6.929 -6.470 19 HG12 ILE 4 HG12 ILE 4 -6.653 5.254 -4.688 20 HG13 ILE 4 HG13 ILE 4 -8.316 5.166 -5.195 21 HG21 ILE 4 HG21 ILE 4 -6.609 7.345 -4.089 22 HG22 ILE 4 HG22 ILE 4 -6.882 8.704 -5.123 23 HG23 ILE 4 HG23 ILE 4 -8.290 7.776 -4.485 24 HD11 ILE 4 HD11 ILE 4 -7.532 4.202 -7.376 25 HD12 ILE 4 HD12 ILE 4 -5.838 4.521 -6.885 26 HD13 ILE 4 HD13 ILE 4 -6.811 3.322 -6.018 27 H ASN 5 H ASN 5 -9.863 9.060 -6.328 28 HA ASN 5 HA ASN 5 -8.442 11.453 -7.217 29 HB2 ASN 5 HB2 ASN 5 -10.903 11.313 -7.025 30 HB3 ASN 5 HB3 ASN 5 -10.756 11.141 -5.272 31 HD21 ASN 5 HD21 ASN 5 -10.662 13.098 -4.061 32 HD22 ASN 5 HD22 ASN 5 -10.460 14.652 -4.849 33 H TRP 6 H TRP 6 -6.358 11.452 -6.353 34 HA TRP 6 HA TRP 6 -5.773 10.875 -3.561 35 HB2 TRP 6 HB2 TRP 6 -3.946 12.308 -5.498 36 HB3 TRP 6 HB3 TRP 6 -3.504 11.336 -4.106 37 HD1 TRP 6 HD1 TRP 6 -3.455 11.205 -7.597 38 HE1 TRP 6 HE1 TRP 6 -3.256 8.836 -8.571 39 HE3 TRP 6 HE3 TRP 6 -4.339 8.684 -3.365 40 HZ2 TRP 6 HZ2 TRP 6 -3.195 6.164 -7.498 41 HZ3 TRP 6 HZ3 TRP 6 -4.015 6.255 -3.279 42 HH2 TRP 6 HH2 TRP 6 -3.499 4.941 -5.331 43 H ASN 7 H ASN 7 -6.545 13.733 -5.312 44 HA ASN 7 HA ASN 7 -5.717 15.847 -3.644 45 HB2 ASN 7 HB2 ASN 7 -6.735 15.866 -5.945 46 HB3 ASN 7 HB3 ASN 7 -8.300 15.637 -5.167 47 HD21 ASN 7 HD21 ASN 7 -8.920 17.396 -3.628 48 HD22 ASN 7 HD22 ASN 7 -7.929 18.851 -3.466 49 H SER 8 H SER 8 -6.574 16.900 -1.991 50 HA SER 8 HA SER 8 -7.152 17.118 0.165 51 HB2 SER 8 HB2 SER 8 -9.455 16.997 -0.798 52 HB3 SER 8 HB3 SER 8 -9.464 15.284 -0.382 53 HG SER 8 HG SER 8 -9.224 17.541 1.322 54 HA PRO 9 HA PRO 9 -4.821 14.108 2.131 55 HB2 PRO 9 HB2 PRO 9 -6.354 14.455 4.703 56 HB3 PRO 9 HB3 PRO 9 -4.585 14.516 4.417 57 HG2 PRO 9 HG2 PRO 9 -5.986 16.800 4.688 58 HG3 PRO 9 HG3 PRO 9 -4.749 16.674 3.404 59 HD2 PRO 9 HD2 PRO 9 -7.749 16.339 3.171 60 HD3 PRO 9 HD3 PRO 9 -6.628 17.267 2.132 61 H CYS 10 H CYS 10 -7.938 13.194 1.675 62 HA CYS 10 HA CYS 10 -8.592 11.178 3.451 63 HB2 CYS 10 HB2 CYS 10 -9.317 11.195 0.502 64 HB3 CYS 10 HB3 CYS 10 -10.254 10.529 1.827 65 H LEU 11 H LEU 11 -7.468 10.222 0.124 66 HA LEU 11 HA LEU 11 -5.663 8.217 1.360 67 HB2 LEU 11 HB2 LEU 11 -6.719 8.708 -1.408 68 HB3 LEU 11 HB3 LEU 11 -5.064 8.105 -1.293 69 HG LEU 11 HG LEU 11 -5.755 6.201 0.020 70 HD11 LEU 11 HD11 LEU 11 -7.460 7.036 1.313 71 HD12 LEU 11 HD12 LEU 11 -8.160 5.757 0.331 72 HD13 LEU 11 HD13 LEU 11 -8.454 7.472 -0.122 73 HD21 LEU 11 HD21 LEU 11 -7.141 4.972 -1.540 74 HD22 LEU 11 HD22 LEU 11 -5.976 5.934 -2.441 75 HD23 LEU 11 HD23 LEU 11 -7.679 6.466 -2.315 76 H GLY 12 H GLY 12 -5.425 11.514 0.341 77 HA2 GLY 12 HA2 GLY 12 -2.796 11.860 -0.420 78 HA3 GLY 12 HA3 GLY 12 -3.640 12.962 0.662 79 H GLY 13 H GLY 13 -3.827 11.413 3.044 80 HA2 GLY 13 HA2 GLY 13 -1.258 11.603 4.224 81 HA3 GLY 13 HA3 GLY 13 -2.623 10.689 4.875 82 H MET 14 H MET 14 -2.632 8.891 2.480 83 HA MET 14 HA MET 14 -0.274 7.145 2.974 84 HB2 MET 14 HB2 MET 14 -2.847 6.535 2.971 85 HB3 MET 14 HB3 MET 14 -2.561 6.397 1.239 86 HG2 MET 14 HG2 MET 14 -2.181 4.293 2.282 87 HG3 MET 14 HG3 MET 14 -0.608 4.920 1.759 88 HE1 MET 14 HE1 MET 14 0.723 3.168 3.140 89 HE2 MET 14 HE2 MET 14 0.421 2.789 4.849 90 HE3 MET 14 HE3 MET 14 -0.808 2.404 3.623 91 H ALA 15 H ALA 15 -1.528 9.233 0.500 92 HA ALA 15 HA ALA 15 0.092 7.946 -1.624 93 HB1 ALA 15 HB1 ALA 15 -2.263 9.839 -2.059 94 HB2 ALA 15 HB2 ALA 15 -1.587 8.632 -3.154 95 HB3 ALA 15 HB3 ALA 15 -2.492 8.124 -1.709 96 H SER 16 H SER 16 0.327 10.807 0.222 97 HA SER 16 HA SER 16 1.415 12.502 -1.982 98 HB2 SER 16 HB2 SER 16 0.848 13.062 0.939 99 HB3 SER 16 HB3 SER 16 1.446 14.256 -0.218 100 HG SER 16 HG SER 16 -0.880 14.120 0.246 101 H GLY 17 H GLY 17 2.677 10.515 0.502 102 HA2 GLY 17 HA2 GLY 17 4.786 12.031 1.630 103 HA3 GLY 17 HA3 GLY 17 4.629 10.331 1.650 104 HA PRO 18 HA PRO 18 8.774 11.367 -0.592 105 HB2 PRO 18 HB2 PRO 18 9.846 9.236 0.915 106 HB3 PRO 18 HB3 PRO 18 10.080 10.988 1.167 107 HG2 PRO 18 HG2 PRO 18 8.119 9.167 2.524 108 HG3 PRO 18 HG3 PRO 18 9.091 10.533 3.190 109 HD2 PRO 18 HD2 PRO 18 6.512 10.841 2.660 110 HD3 PRO 18 HD3 PRO 18 7.666 12.136 2.203 111 H CYS 19 H CYS 19 7.293 8.267 0.401 112 HA CYS 19 HA CYS 19 7.818 7.084 -2.281 113 HB2 CYS 19 HB2 CYS 19 6.837 5.491 0.054 114 HB3 CYS 19 HB3 CYS 19 7.752 4.992 -1.324 115 H GLY 20 H GLY 20 5.616 9.028 -1.861 116 HA2 GLY 20 HA2 GLY 20 3.096 7.790 -1.382 117 HA3 GLY 20 HA3 GLY 20 3.373 9.317 -2.239 118 H GLU 21 H GLU 21 4.878 8.322 -4.382 119 HA GLU 21 HA GLU 21 3.127 7.318 -6.360 120 HB2 GLU 21 HB2 GLU 21 5.076 7.093 -7.604 121 HB3 GLU 21 HB3 GLU 21 5.405 8.442 -6.541 122 HG2 GLU 21 HG2 GLU 21 6.607 6.628 -5.062 123 HG3 GLU 21 HG3 GLU 21 6.475 5.596 -6.477 124 H GLN 22 H GLN 22 5.011 5.536 -3.977 125 HA GLN 22 HA GLN 22 4.770 2.956 -5.146 126 HB2 GLN 22 HB2 GLN 22 5.406 3.413 -2.254 127 HB3 GLN 22 HB3 GLN 22 5.729 2.035 -3.323 128 HG2 GLN 22 HG2 GLN 22 6.810 3.918 -4.901 129 HG3 GLN 22 HG3 GLN 22 6.877 4.813 -3.413 130 HE21 GLN 22 HE21 GLN 22 9.150 4.856 -4.161 131 HE22 GLN 22 HE22 GLN 22 10.057 3.427 -3.757 132 H PHE 23 H PHE 23 2.835 4.809 -2.722 133 HA PHE 23 HA PHE 23 0.739 2.875 -2.428 134 HB2 PHE 23 HB2 PHE 23 1.203 5.096 -1.017 135 HB3 PHE 23 HB3 PHE 23 0.199 5.843 -2.232 136 HD1 PHE 23 HD1 PHE 23 0.276 2.766 -0.102 137 HD2 PHE 23 HD2 PHE 23 -2.167 5.947 -1.695 138 HE1 PHE 23 HE1 PHE 23 -1.735 1.738 0.903 139 HE2 PHE 23 HE2 PHE 23 -4.130 4.949 -0.639 140 HZ PHE 23 HZ PHE 23 -3.982 2.725 0.466 141 H LYS 24 H LYS 24 1.023 5.742 -4.607 142 HA LYS 24 HA LYS 24 -1.347 5.450 -6.066 143 HB2 LYS 24 HB2 LYS 24 1.281 6.011 -7.440 144 HB3 LYS 24 HB3 LYS 24 -0.259 6.537 -7.933 145 HG2 LYS 24 HG2 LYS 24 1.189 7.594 -5.493 146 HG3 LYS 24 HG3 LYS 24 1.082 8.355 -7.077 147 HD2 LYS 24 HD2 LYS 24 -1.384 8.314 -6.789 148 HD3 LYS 24 HD3 LYS 24 -1.183 7.755 -5.144 149 HE2 LYS 24 HE2 LYS 24 -1.530 10.135 -5.062 150 HE3 LYS 24 HE3 LYS 24 0.185 9.867 -4.715 151 HZ1 LYS 24 HZ1 LYS 24 0.740 10.575 -6.911 152 HZ2 LYS 24 HZ2 LYS 24 -0.346 11.676 -6.336 153 HZ3 LYS 24 HZ3 LYS 24 -0.801 10.518 -7.428 154 H SER 25 H SER 25 1.701 3.962 -6.787 155 HA SER 25 HA SER 25 0.982 2.249 -8.859 156 HB2 SER 25 HB2 SER 25 3.241 2.937 -8.153 157 HB3 SER 25 HB3 SER 25 3.126 1.974 -6.696 158 HG SER 25 HG SER 25 4.127 0.639 -7.960 159 H ALA 26 H ALA 26 1.252 1.272 -5.357 160 HA ALA 26 HA ALA 26 0.244 -1.359 -5.829 161 HB1 ALA 26 HB1 ALA 26 0.326 0.285 -3.269 162 HB2 ALA 26 HB2 ALA 26 0.160 -1.486 -3.371 163 HB3 ALA 26 HB3 ALA 26 1.659 -0.693 -3.900 164 H PHE 27 H PHE 27 -1.513 1.465 -4.410 165 HA PHE 27 HA PHE 27 -3.879 -0.139 -4.184 166 HB2 PHE 27 HB2 PHE 27 -2.990 1.935 -2.778 167 HB3 PHE 27 HB3 PHE 27 -4.010 2.836 -3.884 168 HD1 PHE 27 HD1 PHE 27 -4.223 -0.422 -1.921 169 HD2 PHE 27 HD2 PHE 27 -6.120 3.335 -2.899 170 HE1 PHE 27 HE1 PHE 27 -6.127 -0.986 -0.437 171 HE2 PHE 27 HE2 PHE 27 -7.989 2.782 -1.345 172 HZ PHE 27 HZ PHE 27 -8.010 0.600 -0.162 173 H SER 28 H SER 28 -2.905 2.294 -6.701 174 HA SER 28 HA SER 28 -5.331 1.952 -8.148 175 HB2 SER 28 HB2 SER 28 -4.232 2.699 -10.120 176 HB3 SER 28 HB3 SER 28 -3.709 3.700 -8.755 177 HG SER 28 HG SER 28 -1.786 2.736 -8.758 178 H CYS 29 H CYS 29 -2.209 0.034 -8.381 179 HA CYS 29 HA CYS 29 -3.056 -1.737 -10.352 180 HB2 CYS 29 HB2 CYS 29 -0.753 -1.572 -9.380 181 HB3 CYS 29 HB3 CYS 29 -1.249 -2.493 -7.987 182 H PHE 30 H PHE 30 -3.618 -2.121 -6.819 183 HA PHE 30 HA PHE 30 -5.347 -4.357 -6.945 184 HB2 PHE 30 HB2 PHE 30 -4.521 -3.714 -4.836 185 HB3 PHE 30 HB3 PHE 30 -5.016 -2.041 -5.044 186 HD1 PHE 30 HD1 PHE 30 -6.953 -5.296 -5.311 187 HD2 PHE 30 HD2 PHE 30 -6.554 -1.437 -3.420 188 HE1 PHE 30 HE1 PHE 30 -9.095 -5.645 -4.118 189 HE2 PHE 30 HE2 PHE 30 -8.680 -1.819 -2.199 190 HZ PHE 30 HZ PHE 30 -9.965 -3.913 -2.567 191 H HIS 31 H HIS 31 -6.351 -0.854 -7.080 192 HA HIS 31 HA HIS 31 -9.124 -1.491 -7.392 193 HB2 HIS 31 HB2 HIS 31 -7.467 1.000 -7.806 194 HB3 HIS 31 HB3 HIS 31 -9.134 0.959 -8.356 195 HD1 HIS 31 HD1 HIS 31 -7.199 0.519 -5.063 196 HD2 HIS 31 HD2 HIS 31 -11.060 1.181 -6.577 197 HE1 HIS 31 HE1 HIS 31 -8.744 0.825 -3.029 198 H TYR 32 H TYR 32 -6.612 -1.355 -9.811 199 HA TYR 32 HA TYR 32 -8.458 -1.608 -12.067 200 HB2 TYR 32 HB2 TYR 32 -5.452 -1.879 -11.785 201 HB3 TYR 32 HB3 TYR 32 -6.307 -2.185 -13.280 202 HD1 TYR 32 HD1 TYR 32 -6.866 0.711 -10.844 203 HD2 TYR 32 HD2 TYR 32 -5.538 -0.553 -14.760 204 HE1 TYR 32 HE1 TYR 32 -6.462 3.044 -11.463 205 HE2 TYR 32 HE2 TYR 32 -5.181 1.826 -15.379 206 HH TYR 32 HH TYR 32 -5.273 4.054 -14.653 207 H SER 33 H SER 33 -7.417 -3.774 -9.669 208 HA SER 33 HA SER 33 -7.649 -6.206 -11.385 209 HB2 SER 33 HB2 SER 33 -5.604 -5.742 -9.893 210 HB3 SER 33 HB3 SER 33 -6.643 -6.134 -8.525 211 HG SER 33 HG SER 33 -5.841 -7.686 -10.738 212 H THR 34 H THR 34 -8.527 -5.481 -7.985 213 HA THR 34 HA THR 34 -10.268 -6.106 -6.661 214 HB THR 34 HB THR 34 -12.550 -5.778 -7.448 215 HG1 THR 34 HG1 THR 34 -11.279 -5.975 -9.915 216 HG21 THR 34 HG21 THR 34 -10.703 -3.655 -8.614 217 HG22 THR 34 HG22 THR 34 -11.145 -3.795 -6.894 218 HG23 THR 34 HG23 THR 34 -12.393 -3.463 -8.107 219 H GLU 35 H GLU 35 -8.835 -8.277 -7.739 220 HA GLU 35 HA GLU 35 -10.519 -10.385 -8.736 221 HB2 GLU 35 HB2 GLU 35 -7.692 -10.140 -7.764 222 HB3 GLU 35 HB3 GLU 35 -8.338 -11.750 -7.917 223 HG2 GLU 35 HG2 GLU 35 -8.331 -9.669 -10.167 224 HG3 GLU 35 HG3 GLU 35 -7.050 -10.846 -9.918 225 H GLU 36 H GLU 36 -8.848 -10.351 -5.576 226 HA GLU 36 HA GLU 36 -11.020 -11.707 -4.161 227 HB2 GLU 36 HB2 GLU 36 -10.162 -13.553 -5.642 228 HB3 GLU 36 HB3 GLU 36 -8.554 -13.324 -4.967 229 HG2 GLU 36 HG2 GLU 36 -9.522 -13.898 -2.682 230 HG3 GLU 36 HG3 GLU 36 -11.059 -14.238 -3.486 231 H ILE 37 H ILE 37 -7.483 -11.477 -4.287 232 HA ILE 37 HA ILE 37 -7.373 -10.571 -1.426 233 HB ILE 37 HB ILE 37 -5.476 -12.236 -3.089 234 HG12 ILE 37 HG12 ILE 37 -6.871 -12.618 -0.420 235 HG13 ILE 37 HG13 ILE 37 -7.256 -13.388 -1.961 236 HG21 ILE 37 HG21 ILE 37 -4.740 -10.937 -0.442 237 HG22 ILE 37 HG22 ILE 37 -3.785 -12.132 -1.333 238 HG23 ILE 37 HG23 ILE 37 -4.031 -10.546 -2.028 239 HD11 ILE 37 HD11 ILE 37 -4.804 -13.889 -0.239 240 HD12 ILE 37 HD12 ILE 37 -6.131 -15.000 -0.607 241 HD13 ILE 37 HD13 ILE 37 -5.004 -14.523 -1.891 242 H LYS 38 H LYS 38 -6.111 -8.772 -0.883 243 HA LYS 38 HA LYS 38 -6.170 -6.597 -2.702 244 HB2 LYS 38 HB2 LYS 38 -4.352 -6.875 -0.271 245 HB3 LYS 38 HB3 LYS 38 -4.786 -5.371 -1.085 246 HG2 LYS 38 HG2 LYS 38 -6.663 -7.186 0.474 247 HG3 LYS 38 HG3 LYS 38 -5.909 -5.669 1.001 248 HD2 LYS 38 HD2 LYS 38 -7.225 -4.364 -0.552 249 HD3 LYS 38 HD3 LYS 38 -7.787 -5.817 -1.387 250 HE2 LYS 38 HE2 LYS 38 -9.579 -4.934 -0.033 251 HE3 LYS 38 HE3 LYS 38 -9.090 -6.526 0.539 252 HZ1 LYS 38 HZ1 LYS 38 -7.893 -5.470 2.352 253 HZ2 LYS 38 HZ2 LYS 38 -9.443 -4.996 2.356 254 HZ3 LYS 38 HZ3 LYS 38 -8.273 -3.959 1.809 255 H GLY 39 H GLY 39 -5.175 -6.757 -4.632 256 HA2 GLY 39 HA2 GLY 39 -3.485 -6.830 -6.156 257 HA3 GLY 39 HA3 GLY 39 -2.335 -6.542 -4.833 258 H SER 40 H SER 40 -4.423 -9.487 -4.999 259 HA SER 40 HA SER 40 -2.486 -11.448 -5.059 260 HB2 SER 40 HB2 SER 40 -4.102 -12.828 -6.317 261 HB3 SER 40 HB3 SER 40 -4.894 -11.899 -5.042 262 HG SER 40 HG SER 40 -5.449 -11.949 -7.614 263 H ASP 41 H ASP 41 -3.363 -9.427 -7.775 264 HA ASP 41 HA ASP 41 -1.327 -10.670 -9.563 265 HB2 ASP 41 HB2 ASP 41 -3.811 -10.479 -10.166 266 HB3 ASP 41 HB3 ASP 41 -3.556 -8.740 -10.286 267 H CYS 42 H CYS 42 -0.903 -8.598 -7.343 268 HA CYS 42 HA CYS 42 0.633 -6.505 -8.791 269 HB2 CYS 42 HB2 CYS 42 -1.650 -5.964 -6.866 270 HB3 CYS 42 HB3 CYS 42 -0.537 -4.738 -7.419 271 H VAL 43 H VAL 43 0.834 -8.697 -6.360 272 HA VAL 43 HA VAL 43 1.225 -7.228 -4.005 273 HB VAL 43 HB VAL 43 0.743 -9.586 -4.005 274 HG11 VAL 43 HG11 VAL 43 2.448 -11.270 -4.469 275 HG12 VAL 43 HG12 VAL 43 2.139 -10.276 -5.901 276 HG13 VAL 43 HG13 VAL 43 3.604 -9.997 -4.940 277 HG21 VAL 43 HG21 VAL 43 3.416 -9.174 -2.611 278 HG22 VAL 43 HG22 VAL 43 1.859 -8.581 -1.995 279 HG23 VAL 43 HG23 VAL 43 2.133 -10.319 -2.188 280 H ASP 44 H ASP 44 3.647 -7.735 -6.568 281 HA ASP 44 HA ASP 44 5.862 -6.954 -4.991 282 HB2 ASP 44 HB2 ASP 44 5.764 -7.994 -7.346 283 HB3 ASP 44 HB3 ASP 44 5.622 -6.331 -7.942 284 H GLN 45 H GLN 45 3.377 -4.903 -6.545 285 HA GLN 45 HA GLN 45 4.703 -2.422 -6.093 286 HB2 GLN 45 HB2 GLN 45 1.771 -3.073 -6.431 287 HB3 GLN 45 HB3 GLN 45 2.420 -1.449 -6.179 288 HG2 GLN 45 HG2 GLN 45 2.079 -1.756 -8.513 289 HG3 GLN 45 HG3 GLN 45 3.783 -1.587 -8.181 290 HE21 GLN 45 HE21 GLN 45 1.272 -3.837 -9.238 291 HE22 GLN 45 HE22 GLN 45 2.406 -5.099 -9.715 292 H PHE 46 H PHE 46 2.410 -4.315 -4.062 293 HA PHE 46 HA PHE 46 2.455 -2.622 -1.736 294 HB2 PHE 46 HB2 PHE 46 2.003 -5.601 -2.116 295 HB3 PHE 46 HB3 PHE 46 1.979 -4.850 -0.549 296 HD1 PHE 46 HD1 PHE 46 0.083 -5.081 -3.758 297 HD2 PHE 46 HD2 PHE 46 0.102 -3.692 0.324 298 HE1 PHE 46 HE1 PHE 46 -2.276 -4.315 -3.965 299 HE2 PHE 46 HE2 PHE 46 -2.198 -2.960 0.149 300 HZ PHE 46 HZ PHE 46 -3.431 -3.251 -2.040 301 H ARG 47 H ARG 47 4.535 -5.384 -2.691 302 HA ARG 47 HA ARG 47 6.201 -5.433 -0.485 303 HB2 ARG 47 HB2 ARG 47 6.164 -7.034 -2.451 304 HB3 ARG 47 HB3 ARG 47 7.259 -5.914 -3.287 305 HG2 ARG 47 HG2 ARG 47 8.924 -6.155 -1.489 306 HG3 ARG 47 HG3 ARG 47 7.783 -7.102 -0.524 307 HD2 ARG 47 HD2 ARG 47 9.294 -8.655 -1.486 308 HD3 ARG 47 HD3 ARG 47 7.753 -8.847 -2.319 309 HE ARG 47 HE ARG 47 8.631 -7.751 -4.248 310 HH11 ARG 47 HH11 ARG 47 11.153 -8.393 -1.807 311 HH12 ARG 47 HH12 ARG 47 12.453 -8.253 -2.968 312 HH21 ARG 47 HH21 ARG 47 10.338 -7.593 -5.710 313 HH22 ARG 47 HH22 ARG 47 11.990 -7.797 -5.177 314 H ALA 48 H ALA 48 6.580 -3.376 -3.377 315 HA ALA 48 HA ALA 48 8.731 -1.807 -2.415 316 HB1 ALA 48 HB1 ALA 48 6.576 -1.396 -4.466 317 HB2 ALA 48 HB2 ALA 48 7.693 -0.069 -4.055 318 HB3 ALA 48 HB3 ALA 48 8.344 -1.616 -4.642 319 H MET 49 H MET 49 5.189 -1.150 -2.090 320 HA MET 49 HA MET 49 5.285 1.282 -0.752 321 HB2 MET 49 HB2 MET 49 3.207 0.046 -1.486 322 HB3 MET 49 HB3 MET 49 3.394 -1.003 -0.080 323 HG2 MET 49 HG2 MET 49 3.434 1.311 1.234 324 HG3 MET 49 HG3 MET 49 2.591 1.882 -0.199 325 HE1 MET 49 HE1 MET 49 -0.588 -0.622 -0.057 326 HE2 MET 49 HE2 MET 49 0.257 0.579 -1.054 327 HE3 MET 49 HE3 MET 49 0.958 -1.042 -0.817 328 H GLN 50 H GLN 50 5.123 -1.885 1.007 329 HA GLN 50 HA GLN 50 5.887 -0.813 3.483 330 HB2 GLN 50 HB2 GLN 50 4.978 -2.996 3.459 331 HB3 GLN 50 HB3 GLN 50 6.235 -3.620 2.373 332 HG2 GLN 50 HG2 GLN 50 7.908 -3.523 4.065 333 HG3 GLN 50 HG3 GLN 50 6.947 -2.446 5.083 334 HE21 GLN 50 HE21 GLN 50 6.283 -5.758 3.642 335 HE22 GLN 50 HE22 GLN 50 5.872 -6.411 5.240 336 H GLU 51 H GLU 51 8.097 -2.266 1.039 337 HA GLU 51 HA GLU 51 10.530 -2.053 2.394 338 HB2 GLU 51 HB2 GLU 51 10.275 -3.129 0.196 339 HB3 GLU 51 HB3 GLU 51 9.657 -1.672 -0.502 340 HG2 GLU 51 HG2 GLU 51 11.634 -1.922 -1.532 341 HG3 GLU 51 HG3 GLU 51 11.908 -0.625 -0.413 342 H CYS 52 H CYS 52 8.923 0.592 0.615 343 HA CYS 52 HA CYS 52 11.155 2.416 1.202 344 HB2 CYS 52 HB2 CYS 52 9.892 2.271 -0.963 345 HB3 CYS 52 HB3 CYS 52 8.524 2.969 -0.217 346 H MET 53 H MET 53 7.799 1.900 2.422 347 HA MET 53 HA MET 53 7.910 4.414 3.874 348 HB2 MET 53 HB2 MET 53 5.890 2.133 3.921 349 HB3 MET 53 HB3 MET 53 5.734 3.616 4.870 350 HG2 MET 53 HG2 MET 53 5.802 4.977 2.815 351 HG3 MET 53 HG3 MET 53 5.928 3.511 1.839 352 HE1 MET 53 HE1 MET 53 2.341 4.891 1.037 353 HE2 MET 53 HE2 MET 53 3.825 5.815 1.356 354 HE3 MET 53 HE3 MET 53 3.892 4.352 0.348 355 H GLN 54 H GLN 54 8.672 1.108 4.564 356 HA GLN 54 HA GLN 54 8.645 1.058 7.386 357 HB2 GLN 54 HB2 GLN 54 9.924 -1.023 7.043 358 HB3 GLN 54 HB3 GLN 54 8.690 -0.861 5.871 359 HG2 GLN 54 HG2 GLN 54 10.396 -1.602 4.591 360 HG3 GLN 54 HG3 GLN 54 10.602 0.138 4.390 361 HE21 GLN 54 HE21 GLN 54 12.689 -0.498 3.638 362 HE22 GLN 54 HE22 GLN 54 13.966 -0.850 4.821 363 H LYS 55 H LYS 55 10.987 2.484 5.217 364 HA LYS 55 HA LYS 55 13.145 2.964 7.071 365 HB2 LYS 55 HB2 LYS 55 12.238 4.735 4.750 366 HB3 LYS 55 HB3 LYS 55 13.814 4.728 5.490 367 HG2 LYS 55 HG2 LYS 55 12.641 2.420 3.884 368 HG3 LYS 55 HG3 LYS 55 13.751 3.631 3.264 369 HD2 LYS 55 HD2 LYS 55 14.417 1.720 5.541 370 HD3 LYS 55 HD3 LYS 55 14.823 1.468 3.836 371 HE2 LYS 55 HE2 LYS 55 16.161 3.561 3.840 372 HE3 LYS 55 HE3 LYS 55 15.816 3.779 5.564 373 HZ1 LYS 55 HZ1 LYS 55 16.894 1.621 5.978 374 HZ2 LYS 55 HZ2 LYS 55 17.969 2.584 5.181 375 HZ3 LYS 55 HZ3 LYS 55 17.166 1.398 4.388 376 H TYR 56 H TYR 56 10.008 4.571 6.705 377 HA TYR 56 HA TYR 56 11.081 6.959 8.152 378 HB2 TYR 56 HB2 TYR 56 9.103 6.997 5.873 379 HB3 TYR 56 HB3 TYR 56 9.619 8.336 6.857 380 HD1 TYR 56 HD1 TYR 56 12.714 7.122 6.778 381 HD2 TYR 56 HD2 TYR 56 9.690 8.539 4.078 382 HE1 TYR 56 HE1 TYR 56 14.446 7.634 5.139 383 HE2 TYR 56 HE2 TYR 56 11.460 9.561 2.652 384 HH TYR 56 HH TYR 56 13.720 9.525 2.146 385 HA PRO 57 HA PRO 57 7.620 5.645 10.686 386 HB2 PRO 57 HB2 PRO 57 8.237 6.916 13.019 387 HB3 PRO 57 HB3 PRO 57 9.127 5.492 12.398 388 HG2 PRO 57 HG2 PRO 57 9.878 8.414 12.136 389 HG3 PRO 57 HG3 PRO 57 10.933 7.044 12.598 390 HD2 PRO 57 HD2 PRO 57 10.855 8.041 10.077 391 HD3 PRO 57 HD3 PRO 57 11.133 6.306 10.413 392 H ASP 58 H ASP 58 8.384 9.203 10.822 393 HA ASP 58 HA ASP 58 5.617 9.904 10.257 394 HB2 ASP 58 HB2 ASP 58 5.588 9.112 12.581 395 HB3 ASP 58 HB3 ASP 58 6.599 10.492 12.991 396 H LEU 59 H LEU 59 7.317 10.590 8.770 397 HA LEU 59 HA LEU 59 9.135 12.796 9.538 398 HB2 LEU 59 HB2 LEU 59 9.735 10.629 8.507 399 HB3 LEU 59 HB3 LEU 59 8.664 10.957 7.172 400 HG LEU 59 HG LEU 59 11.385 12.062 7.684 401 HD11 LEU 59 HD11 LEU 59 9.963 10.897 5.308 402 HD12 LEU 59 HD12 LEU 59 11.007 10.015 6.485 403 HD13 LEU 59 HD13 LEU 59 11.712 11.225 5.414 404 HD21 LEU 59 HD21 LEU 59 11.138 13.365 5.507 405 HD22 LEU 59 HD22 LEU 59 10.296 14.112 6.874 406 HD23 LEU 59 HD23 LEU 59 9.392 13.167 5.648 407 H TYR 60 H TYR 60 6.389 12.115 7.463 408 HA TYR 60 HA TYR 60 7.109 14.329 5.667 409 HB2 TYR 60 HB2 TYR 60 5.363 12.934 4.186 410 HB3 TYR 60 HB3 TYR 60 7.078 12.618 4.331 411 HD1 TYR 60 HD1 TYR 60 3.771 11.550 5.742 412 HD2 TYR 60 HD2 TYR 60 7.895 10.484 5.064 413 HE1 TYR 60 HE1 TYR 60 3.385 9.299 6.697 414 HE2 TYR 60 HE2 TYR 60 7.534 8.337 6.043 415 HH TYR 60 HH TYR 60 6.083 6.967 7.203 416 H GLU 61 H GLU 61 -19.493 13.199 1.278 417 HA GLU 61 HA GLU 61 -18.796 10.949 1.308 418 HB2 GLU 61 HB2 GLU 61 -16.500 12.758 0.459 419 HB3 GLU 61 HB3 GLU 61 -16.674 11.047 0.024 420 HG2 GLU 61 HG2 GLU 61 -18.866 11.578 -1.058 421 HG3 GLU 61 HG3 GLU 61 -18.561 13.294 -0.758 422 H HIS 62 H HIS 62 -16.776 9.511 1.682 423 HA HIS 62 HA HIS 62 -16.268 9.671 4.593 424 HB2 HIS 62 HB2 HIS 62 -16.269 7.446 2.536 425 HB3 HIS 62 HB3 HIS 62 -15.590 7.219 4.129 426 HD1 HIS 62 HD1 HIS 62 -17.430 8.072 6.211 427 HD2 HIS 62 HD2 HIS 62 -18.705 6.494 2.524 428 HE1 HIS 62 HE1 HIS 62 -19.784 7.164 6.594 429 H CYS 63 H CYS 63 -14.629 11.449 4.172 430 HA CYS 63 HA CYS 63 -12.047 10.690 3.142 431 HB2 CYS 63 HB2 CYS 63 -13.048 13.012 3.254 432 HB3 CYS 63 HB3 CYS 63 -12.711 12.994 4.984 433 H GLY 64 H GLY 64 -10.217 9.913 4.205 434 HA2 GLY 64 HA2 GLY 64 -8.878 9.042 5.892 435 HA3 GLY 64 HA3 GLY 64 -9.852 9.909 7.080 436 H HIS 65 H HIS 65 -11.674 7.849 5.072 437 HA HIS 65 HA HIS 65 -12.314 6.096 7.364 438 HB2 HIS 65 HB2 HIS 65 -13.928 7.506 5.939 439 HB3 HIS 65 HB3 HIS 65 -13.690 6.276 4.690 440 HD1 HIS 65 HD1 HIS 65 -15.092 6.661 8.264 441 HD2 HIS 65 HD2 HIS 65 -15.141 4.075 4.946 442 HE1 HIS 65 HE1 HIS 65 -17.022 5.025 8.655 443 H LEU 66 H LEU 66 -10.449 5.854 4.514 444 HA LEU 66 HA LEU 66 -10.672 2.882 4.396 445 HB2 LEU 66 HB2 LEU 66 -9.248 4.645 2.379 446 HB3 LEU 66 HB3 LEU 66 -9.793 2.989 2.211 447 HG LEU 66 HG LEU 66 -11.642 5.408 2.415 448 HD11 LEU 66 HD11 LEU 66 -12.057 4.984 0.023 449 HD12 LEU 66 HD12 LEU 66 -10.804 3.725 0.015 450 HD13 LEU 66 HD13 LEU 66 -10.380 5.424 0.324 451 HD21 LEU 66 HD21 LEU 66 -12.710 3.314 3.232 452 HD22 LEU 66 HD22 LEU 66 -12.244 2.507 1.717 453 HD23 LEU 66 HD23 LEU 66 -13.400 3.851 1.696 454 H ILE 67 H ILE 67 -8.496 5.388 5.407 455 HA ILE 67 HA ILE 67 -6.079 4.127 4.731 456 HB ILE 67 HB ILE 67 -6.359 6.516 4.981 457 HG12 ILE 67 HG12 ILE 67 -4.111 5.476 6.755 458 HG13 ILE 67 HG13 ILE 67 -4.122 5.365 4.996 459 HG21 ILE 67 HG21 ILE 67 -6.363 7.653 7.117 460 HG22 ILE 67 HG22 ILE 67 -7.691 6.496 7.125 461 HG23 ILE 67 HG23 ILE 67 -6.190 6.131 8.002 462 HD11 ILE 67 HD11 ILE 67 -4.116 7.939 6.622 463 HD12 ILE 67 HD12 ILE 67 -2.794 7.272 5.654 464 HD13 ILE 67 HD13 ILE 67 -4.263 7.857 4.848 465 H GLU 68 H GLU 68 -7.624 4.007 8.016 466 HA GLU 68 HA GLU 68 -5.447 2.511 9.130 467 HB2 GLU 68 HB2 GLU 68 -8.388 2.626 9.864 468 HB3 GLU 68 HB3 GLU 68 -7.175 1.795 10.831 469 HG2 GLU 68 HG2 GLU 68 -6.911 4.756 10.145 470 HG3 GLU 68 HG3 GLU 68 -7.876 4.188 11.495 471 H ALA 69 H ALA 69 -8.342 1.436 7.348 472 HA ALA 69 HA ALA 69 -7.611 -1.332 7.319 473 HB1 ALA 69 HB1 ALA 69 -9.895 -0.637 6.979 474 HB2 ALA 69 HB2 ALA 69 -9.463 0.258 5.509 475 HB3 ALA 69 HB3 ALA 69 -9.326 -1.512 5.548 476 H HIS 70 H HIS 70 -6.549 1.351 5.106 477 HA HIS 70 HA HIS 70 -5.192 -0.323 3.226 478 HB2 HIS 70 HB2 HIS 70 -4.074 2.285 4.355 479 HB3 HIS 70 HB3 HIS 70 -3.609 1.481 2.883 480 HD1 HIS 70 HD1 HIS 70 -7.042 1.325 2.149 481 HD2 HIS 70 HD2 HIS 70 -4.322 4.493 2.744 482 HE1 HIS 70 HE1 HIS 70 -7.891 3.371 0.837 483 H LYS 71 H LYS 71 -4.098 1.064 6.334 484 HA LYS 71 HA LYS 71 -1.526 -0.158 6.371 485 HB2 LYS 71 HB2 LYS 71 -3.243 0.896 8.655 486 HB3 LYS 71 HB3 LYS 71 -1.533 0.459 8.784 487 HG2 LYS 71 HG2 LYS 71 -0.925 2.181 7.120 488 HG3 LYS 71 HG3 LYS 71 -2.609 2.575 6.856 489 HD2 LYS 71 HD2 LYS 71 -1.696 4.270 8.271 490 HD3 LYS 71 HD3 LYS 71 -2.841 3.313 9.202 491 HE2 LYS 71 HE2 LYS 71 -0.982 3.708 10.625 492 HE3 LYS 71 HE3 LYS 71 -0.899 2.011 10.165 493 HZ1 LYS 71 HZ1 LYS 71 0.704 4.216 8.963 494 HZ2 LYS 71 HZ2 LYS 71 0.818 2.613 8.542 495 HZ3 LYS 71 HZ3 LYS 71 1.244 3.091 10.044 496 H GLU 72 H GLU 72 -4.560 -1.278 7.970 497 HA GLU 72 HA GLU 72 -3.518 -3.751 8.902 498 HB2 GLU 72 HB2 GLU 72 -5.695 -2.828 9.584 499 HB3 GLU 72 HB3 GLU 72 -6.319 -3.047 7.956 500 HG2 GLU 72 HG2 GLU 72 -7.153 -4.783 9.427 501 HG3 GLU 72 HG3 GLU 72 -6.151 -5.476 8.165 502 H SER 73 H SER 73 -4.909 -2.969 5.666 503 HA SER 73 HA SER 73 -4.960 -5.649 4.687 504 HB2 SER 73 HB2 SER 73 -4.675 -2.998 3.212 505 HB3 SER 73 HB3 SER 73 -4.914 -4.560 2.430 506 HG SER 73 HG SER 73 -6.621 -3.164 4.191 507 H MET 74 H MET 74 -2.456 -3.100 4.198 508 HA MET 74 HA MET 74 -0.575 -4.867 2.968 509 HB2 MET 74 HB2 MET 74 -0.422 -2.580 2.516 510 HB3 MET 74 HB3 MET 74 -0.469 -2.124 4.183 511 HG2 MET 74 HG2 MET 74 1.710 -1.710 3.614 512 HG3 MET 74 HG3 MET 74 1.883 -3.276 4.376 513 HE1 MET 74 HE1 MET 74 3.236 -5.077 3.392 514 HE2 MET 74 HE2 MET 74 1.841 -5.657 2.448 515 HE3 MET 74 HE3 MET 74 3.418 -5.442 1.664 516 H ARG 75 H ARG 75 -0.966 -4.015 6.491 517 HA ARG 75 HA ARG 75 1.144 -5.631 7.414 518 HB2 ARG 75 HB2 ARG 75 0.020 -4.141 8.890 519 HB3 ARG 75 HB3 ARG 75 -1.526 -4.975 8.697 520 HG2 ARG 75 HG2 ARG 75 -0.746 -6.927 9.859 521 HG3 ARG 75 HG3 ARG 75 0.927 -6.350 9.868 522 HD2 ARG 75 HD2 ARG 75 -1.343 -4.869 11.261 523 HD3 ARG 75 HD3 ARG 75 -0.389 -6.145 12.038 524 HE ARG 75 HE ARG 75 1.276 -4.107 10.840 525 HH11 ARG 75 HH11 ARG 75 -0.592 -4.874 13.779 526 HH12 ARG 75 HH12 ARG 75 0.422 -3.889 14.806 527 HH21 ARG 75 HH21 ARG 75 2.566 -2.846 12.207 528 HH22 ARG 75 HH22 ARG 75 2.199 -2.725 13.913 529 H ALA 76 H ALA 76 -2.221 -6.650 6.728 530 HA ALA 76 HA ALA 76 -1.931 -9.392 7.447 531 HB1 ALA 76 HB1 ALA 76 -3.843 -8.056 5.475 532 HB2 ALA 76 HB2 ALA 76 -4.063 -9.652 6.217 533 HB3 ALA 76 HB3 ALA 76 -4.090 -8.192 7.222 534 H LEU 77 H LEU 77 -1.593 -7.793 4.284 535 HA LEU 77 HA LEU 77 -0.980 -10.107 2.710 536 HB2 LEU 77 HB2 LEU 77 -1.792 -7.900 1.893 537 HB3 LEU 77 HB3 LEU 77 -0.276 -7.166 2.401 538 HG LEU 77 HG LEU 77 0.907 -8.674 0.702 539 HD11 LEU 77 HD11 LEU 77 -0.500 -9.452 -1.190 540 HD12 LEU 77 HD12 LEU 77 -1.959 -9.040 -0.285 541 HD13 LEU 77 HD13 LEU 77 -0.892 -10.346 0.301 542 HD21 LEU 77 HD21 LEU 77 -1.201 -6.692 -0.255 543 HD22 LEU 77 HD22 LEU 77 0.230 -7.194 -1.164 544 HD23 LEU 77 HD23 LEU 77 0.422 -6.300 0.358 545 H GLY 78 H GLY 78 1.139 -7.733 4.354 546 HA2 GLY 78 HA2 GLY 78 3.679 -8.893 3.786 547 HA3 GLY 78 HA3 GLY 78 3.272 -7.877 5.167 548 H PHE 79 H PHE 79 1.414 -9.489 6.497 549 HA PHE 79 HA PHE 79 2.972 -11.454 7.864 550 HB2 PHE 79 HB2 PHE 79 1.136 -10.317 8.947 551 HB3 PHE 79 HB3 PHE 79 -0.015 -10.891 7.757 552 HD1 PHE 79 HD1 PHE 79 -0.817 -13.238 7.746 553 HD2 PHE 79 HD2 PHE 79 1.881 -11.775 10.778 554 HE1 PHE 79 HE1 PHE 79 -1.293 -15.239 9.136 555 HE2 PHE 79 HE2 PHE 79 1.368 -13.757 12.183 556 HZ PHE 79 HZ PHE 79 -0.211 -15.496 11.361 557 H LYS 80 H LYS 80 0.564 -11.847 5.195 558 HA LYS 80 HA LYS 80 0.812 -14.735 5.395 559 HB2 LYS 80 HB2 LYS 80 -1.254 -13.205 4.699 560 HB3 LYS 80 HB3 LYS 80 -0.581 -13.396 3.090 561 HG2 LYS 80 HG2 LYS 80 -2.229 -15.092 3.384 562 HG3 LYS 80 HG3 LYS 80 -0.674 -15.921 3.467 563 HD2 LYS 80 HD2 LYS 80 -0.839 -15.973 5.960 564 HD3 LYS 80 HD3 LYS 80 -2.372 -15.079 5.874 565 HE2 LYS 80 HE2 LYS 80 -3.406 -16.928 4.633 566 HE3 LYS 80 HE3 LYS 80 -1.864 -17.799 4.596 567 HZ1 LYS 80 HZ1 LYS 80 -3.260 -18.636 6.364 568 HZ2 LYS 80 HZ2 LYS 80 -3.397 -17.149 7.068 569 HZ3 LYS 80 HZ3 LYS 80 -1.949 -17.909 7.031 570 H ILE 81 H ILE 81 2.100 -12.383 3.047 571 HA ILE 81 HA ILE 81 3.462 -14.651 1.646 572 HB ILE 81 HB ILE 81 2.711 -11.948 0.516 573 HG12 ILE 81 HG12 ILE 81 1.488 -14.718 0.111 574 HG13 ILE 81 HG13 ILE 81 0.741 -13.380 0.984 575 HG21 ILE 81 HG21 ILE 81 3.430 -12.929 -1.635 576 HG22 ILE 81 HG22 ILE 81 4.770 -12.953 -0.511 577 HG23 ILE 81 HG23 ILE 81 3.865 -14.448 -0.823 578 HD11 ILE 81 HD11 ILE 81 -0.282 -13.500 -1.160 579 HD12 ILE 81 HD12 ILE 81 0.711 -12.031 -1.114 580 HD13 ILE 81 HD13 ILE 81 1.272 -13.475 -2.000 Start of MODEL 9 1 H ASN 1 H ASN 1 -13.601 5.511 -16.648 2 HA ASN 1 HA ASN 1 -11.396 4.798 -16.603 3 HB2 ASN 1 HB2 ASN 1 -10.744 6.890 -16.543 4 HB3 ASN 1 HB3 ASN 1 -12.173 7.373 -15.660 5 HD21 ASN 1 HD21 ASN 1 -8.721 6.531 -15.292 6 HD22 ASN 1 HD22 ASN 1 -8.647 7.216 -13.695 7 H GLY 2 H GLY 2 -12.326 5.222 -13.144 8 HA2 GLY 2 HA2 GLY 2 -12.018 3.474 -11.546 9 HA3 GLY 2 HA3 GLY 2 -10.743 2.761 -12.519 10 H ASN 3 H ASN 3 -10.229 6.183 -12.223 11 HA ASN 3 HA ASN 3 -7.961 5.877 -10.540 12 HB2 ASN 3 HB2 ASN 3 -9.446 8.209 -11.671 13 HB3 ASN 3 HB3 ASN 3 -8.611 8.531 -10.190 14 HD21 ASN 3 HD21 ASN 3 -6.699 9.645 -10.773 15 HD22 ASN 3 HD22 ASN 3 -5.562 8.825 -11.820 16 H ILE 4 H ILE 4 -7.478 6.352 -8.526 17 HA ILE 4 HA ILE 4 -9.418 6.339 -6.370 18 HB ILE 4 HB ILE 4 -6.447 6.956 -6.610 19 HG12 ILE 4 HG12 ILE 4 -6.294 4.994 -4.919 20 HG13 ILE 4 HG13 ILE 4 -7.979 4.678 -5.218 21 HG21 ILE 4 HG21 ILE 4 -6.472 6.913 -4.074 22 HG22 ILE 4 HG22 ILE 4 -7.092 8.363 -4.804 23 HG23 ILE 4 HG23 ILE 4 -8.220 7.134 -4.138 24 HD11 ILE 4 HD11 ILE 4 -5.637 4.622 -7.185 25 HD12 ILE 4 HD12 ILE 4 -6.437 3.215 -6.472 26 HD13 ILE 4 HD13 ILE 4 -7.323 4.209 -7.642 27 H ASN 5 H ASN 5 -7.572 8.843 -7.993 28 HA ASN 5 HA ASN 5 -7.415 11.087 -7.788 29 HB2 ASN 5 HB2 ASN 5 -9.952 10.807 -8.215 30 HB3 ASN 5 HB3 ASN 5 -10.150 11.261 -6.528 31 HD21 ASN 5 HD21 ASN 5 -9.544 12.462 -9.695 32 HD22 ASN 5 HD22 ASN 5 -9.330 14.147 -9.222 33 H TRP 6 H TRP 6 -6.060 12.024 -6.463 34 HA TRP 6 HA TRP 6 -5.774 10.812 -3.761 35 HB2 TRP 6 HB2 TRP 6 -3.725 12.319 -5.398 36 HB3 TRP 6 HB3 TRP 6 -3.446 11.252 -4.026 37 HD1 TRP 6 HD1 TRP 6 -3.638 11.258 -7.694 38 HE1 TRP 6 HE1 TRP 6 -3.604 8.878 -8.709 39 HE3 TRP 6 HE3 TRP 6 -4.135 8.679 -3.415 40 HZ2 TRP 6 HZ2 TRP 6 -3.236 6.190 -7.604 41 HZ3 TRP 6 HZ3 TRP 6 -4.038 6.212 -3.374 42 HH2 TRP 6 HH2 TRP 6 -3.567 4.936 -5.469 43 H ASN 7 H ASN 7 -7.276 13.446 -4.619 44 HA ASN 7 HA ASN 7 -5.887 15.552 -3.128 45 HB2 ASN 7 HB2 ASN 7 -6.863 15.955 -5.324 46 HB3 ASN 7 HB3 ASN 7 -8.472 15.517 -4.732 47 HD21 ASN 7 HD21 ASN 7 -5.763 17.805 -4.069 48 HD22 ASN 7 HD22 ASN 7 -6.844 19.079 -3.479 49 H SER 8 H SER 8 -8.457 13.305 -2.273 50 HA SER 8 HA SER 8 -9.429 14.902 -0.055 51 HB2 SER 8 HB2 SER 8 -10.774 13.146 -1.128 52 HB3 SER 8 HB3 SER 8 -9.649 11.918 -0.528 53 HG SER 8 HG SER 8 -10.412 12.089 1.393 54 HA PRO 9 HA PRO 9 -5.699 14.737 1.884 55 HB2 PRO 9 HB2 PRO 9 -6.169 15.481 4.502 56 HB3 PRO 9 HB3 PRO 9 -6.306 16.572 3.092 57 HG2 PRO 9 HG2 PRO 9 -8.517 14.992 4.442 58 HG3 PRO 9 HG3 PRO 9 -8.505 16.743 4.042 59 HD2 PRO 9 HD2 PRO 9 -9.716 14.988 2.400 60 HD3 PRO 9 HD3 PRO 9 -8.677 16.270 1.696 61 H CYS 10 H CYS 10 -7.969 12.576 3.580 62 HA CYS 10 HA CYS 10 -5.994 11.515 5.381 63 HB2 CYS 10 HB2 CYS 10 -8.371 11.623 5.871 64 HB3 CYS 10 HB3 CYS 10 -8.731 10.531 4.540 65 H LEU 11 H LEU 11 -7.540 9.903 2.521 66 HA LEU 11 HA LEU 11 -5.459 7.943 2.132 67 HB2 LEU 11 HB2 LEU 11 -7.719 7.797 1.230 68 HB3 LEU 11 HB3 LEU 11 -7.479 9.222 0.217 69 HG LEU 11 HG LEU 11 -5.966 6.591 -0.004 70 HD11 LEU 11 HD11 LEU 11 -8.350 6.217 -0.371 71 HD12 LEU 11 HD12 LEU 11 -7.417 6.037 -1.863 72 HD13 LEU 11 HD13 LEU 11 -8.375 7.515 -1.588 73 HD21 LEU 11 HD21 LEU 11 -6.400 8.817 -2.051 74 HD22 LEU 11 HD22 LEU 11 -5.517 7.282 -2.252 75 HD23 LEU 11 HD23 LEU 11 -4.863 8.507 -1.217 76 H GLY 12 H GLY 12 -5.876 11.260 0.853 77 HA2 GLY 12 HA2 GLY 12 -3.747 11.400 -0.949 78 HA3 GLY 12 HA3 GLY 12 -4.370 12.752 0.008 79 H GLY 13 H GLY 13 -3.585 11.806 2.611 80 HA2 GLY 13 HA2 GLY 13 -0.844 12.519 2.848 81 HA3 GLY 13 HA3 GLY 13 -1.817 11.696 4.074 82 H MET 14 H MET 14 -2.361 9.255 2.892 83 HA MET 14 HA MET 14 0.031 7.702 2.957 84 HB2 MET 14 HB2 MET 14 -2.368 6.957 3.355 85 HB3 MET 14 HB3 MET 14 -2.574 6.945 1.618 86 HG2 MET 14 HG2 MET 14 -2.135 4.725 2.269 87 HG3 MET 14 HG3 MET 14 -0.677 5.289 1.465 88 HE1 MET 14 HE1 MET 14 -0.908 2.621 3.260 89 HE2 MET 14 HE2 MET 14 0.519 3.166 2.349 90 HE3 MET 14 HE3 MET 14 0.678 2.719 4.060 91 H ALA 15 H ALA 15 -1.623 9.244 0.280 92 HA ALA 15 HA ALA 15 0.276 8.182 -1.689 93 HB1 ALA 15 HB1 ALA 15 -2.467 9.009 -1.738 94 HB2 ALA 15 HB2 ALA 15 -1.594 10.004 -2.912 95 HB3 ALA 15 HB3 ALA 15 -1.488 8.217 -2.960 96 H SER 16 H SER 16 0.786 10.397 0.423 97 HA SER 16 HA SER 16 2.497 12.151 -1.319 98 HB2 SER 16 HB2 SER 16 1.382 12.681 1.464 99 HB3 SER 16 HB3 SER 16 2.360 13.793 0.493 100 HG SER 16 HG SER 16 -0.248 12.811 -0.013 101 H GLY 17 H GLY 17 4.345 13.076 0.555 102 HA2 GLY 17 HA2 GLY 17 6.061 12.406 2.071 103 HA3 GLY 17 HA3 GLY 17 5.342 10.827 2.134 104 HA PRO 18 HA PRO 18 9.565 10.285 -0.069 105 HB2 PRO 18 HB2 PRO 18 9.732 7.902 1.361 106 HB3 PRO 18 HB3 PRO 18 10.410 9.485 1.799 107 HG2 PRO 18 HG2 PRO 18 7.733 8.410 2.775 108 HG3 PRO 18 HG3 PRO 18 9.127 9.012 3.733 109 HD2 PRO 18 HD2 PRO 18 7.245 10.725 3.166 110 HD3 PRO 18 HD3 PRO 18 8.892 11.221 2.752 111 H CYS 19 H CYS 19 6.692 8.271 0.648 112 HA CYS 19 HA CYS 19 7.483 6.427 -1.569 113 HB2 CYS 19 HB2 CYS 19 5.922 5.814 0.934 114 HB3 CYS 19 HB3 CYS 19 6.517 4.657 -0.252 115 H GLY 20 H GLY 20 5.522 8.832 -1.491 116 HA2 GLY 20 HA2 GLY 20 2.842 8.153 -1.649 117 HA3 GLY 20 HA3 GLY 20 3.594 9.362 -2.684 118 H GLU 21 H GLU 21 5.056 8.003 -4.495 119 HA GLU 21 HA GLU 21 3.078 6.791 -6.160 120 HB2 GLU 21 HB2 GLU 21 6.093 7.157 -6.395 121 HB3 GLU 21 HB3 GLU 21 5.198 6.158 -7.547 122 HG2 GLU 21 HG2 GLU 21 3.537 8.062 -7.667 123 HG3 GLU 21 HG3 GLU 21 4.785 9.101 -6.956 124 H GLN 22 H GLN 22 5.196 5.089 -3.846 125 HA GLN 22 HA GLN 22 4.573 2.566 -5.015 126 HB2 GLN 22 HB2 GLN 22 4.802 2.926 -2.029 127 HB3 GLN 22 HB3 GLN 22 5.216 1.561 -3.059 128 HG2 GLN 22 HG2 GLN 22 6.730 4.084 -2.501 129 HG3 GLN 22 HG3 GLN 22 7.183 2.428 -2.235 130 HE21 GLN 22 HE21 GLN 22 7.499 5.095 -4.153 131 HE22 GLN 22 HE22 GLN 22 8.318 4.366 -5.543 132 H PHE 23 H PHE 23 2.783 4.652 -2.647 133 HA PHE 23 HA PHE 23 0.584 2.845 -2.460 134 HB2 PHE 23 HB2 PHE 23 0.969 4.881 -0.893 135 HB3 PHE 23 HB3 PHE 23 0.396 5.860 -2.197 136 HD1 PHE 23 HD1 PHE 23 -1.057 2.478 -1.229 137 HD2 PHE 23 HD2 PHE 23 -1.534 6.752 -1.207 138 HE1 PHE 23 HE1 PHE 23 -3.421 2.233 -0.570 139 HE2 PHE 23 HE2 PHE 23 -3.804 6.515 -0.410 140 HZ PHE 23 HZ PHE 23 -4.839 4.246 -0.269 141 H LYS 24 H LYS 24 1.156 5.628 -4.677 142 HA LYS 24 HA LYS 24 -1.350 5.625 -5.951 143 HB2 LYS 24 HB2 LYS 24 1.246 6.089 -7.427 144 HB3 LYS 24 HB3 LYS 24 -0.301 6.657 -7.877 145 HG2 LYS 24 HG2 LYS 24 1.211 7.678 -5.454 146 HG3 LYS 24 HG3 LYS 24 1.108 8.463 -7.035 147 HD2 LYS 24 HD2 LYS 24 -1.382 8.450 -6.711 148 HD3 LYS 24 HD3 LYS 24 -1.143 7.873 -5.089 149 HE2 LYS 24 HE2 LYS 24 -1.462 10.207 -4.906 150 HE3 LYS 24 HE3 LYS 24 0.278 9.980 -4.689 151 HZ1 LYS 24 HZ1 LYS 24 -0.964 10.733 -7.292 152 HZ2 LYS 24 HZ2 LYS 24 0.611 10.798 -6.936 153 HZ3 LYS 24 HZ3 LYS 24 -0.403 11.832 -6.181 154 H SER 25 H SER 25 1.554 3.913 -6.809 155 HA SER 25 HA SER 25 0.539 2.372 -8.960 156 HB2 SER 25 HB2 SER 25 2.854 2.944 -8.582 157 HB3 SER 25 HB3 SER 25 2.909 2.053 -7.080 158 HG SER 25 HG SER 25 3.752 0.863 -8.900 159 H ALA 26 H ALA 26 0.941 1.419 -5.481 160 HA ALA 26 HA ALA 26 -0.020 -1.246 -5.845 161 HB1 ALA 26 HB1 ALA 26 0.006 0.516 -3.353 162 HB2 ALA 26 HB2 ALA 26 -0.199 -1.245 -3.376 163 HB3 ALA 26 HB3 ALA 26 1.331 -0.527 -3.905 164 H PHE 27 H PHE 27 -1.847 1.599 -4.527 165 HA PHE 27 HA PHE 27 -4.241 0.053 -4.534 166 HB2 PHE 27 HB2 PHE 27 -3.433 2.370 -3.281 167 HB3 PHE 27 HB3 PHE 27 -4.646 2.957 -4.402 168 HD1 PHE 27 HD1 PHE 27 -4.162 -0.033 -2.113 169 HD2 PHE 27 HD2 PHE 27 -6.824 3.086 -3.457 170 HE1 PHE 27 HE1 PHE 27 -5.926 -0.882 -0.588 171 HE2 PHE 27 HE2 PHE 27 -8.571 2.254 -1.907 172 HZ PHE 27 HZ PHE 27 -8.151 0.250 -0.506 173 H SER 28 H SER 28 -2.981 2.329 -7.026 174 HA SER 28 HA SER 28 -5.206 2.111 -8.762 175 HB2 SER 28 HB2 SER 28 -3.402 3.617 -9.299 176 HB3 SER 28 HB3 SER 28 -2.242 2.276 -9.428 177 HG SER 28 HG SER 28 -3.419 3.254 -11.403 178 H CYS 29 H CYS 29 -2.265 -0.061 -8.620 179 HA CYS 29 HA CYS 29 -3.155 -1.895 -10.520 180 HB2 CYS 29 HB2 CYS 29 -0.876 -1.716 -9.457 181 HB3 CYS 29 HB3 CYS 29 -1.479 -2.594 -8.072 182 H PHE 30 H PHE 30 -3.866 -2.005 -6.979 183 HA PHE 30 HA PHE 30 -5.686 -4.161 -7.044 184 HB2 PHE 30 HB2 PHE 30 -4.885 -3.364 -4.952 185 HB3 PHE 30 HB3 PHE 30 -5.438 -1.726 -5.277 186 HD1 PHE 30 HD1 PHE 30 -7.132 -5.101 -5.380 187 HD2 PHE 30 HD2 PHE 30 -7.056 -1.128 -3.713 188 HE1 PHE 30 HE1 PHE 30 -9.237 -5.577 -4.154 189 HE2 PHE 30 HE2 PHE 30 -9.185 -1.595 -2.515 190 HZ PHE 30 HZ PHE 30 -10.281 -3.811 -2.744 191 H HIS 31 H HIS 31 -6.478 -0.682 -7.597 192 HA HIS 31 HA HIS 31 -9.276 -1.096 -8.008 193 HB2 HIS 31 HB2 HIS 31 -7.361 1.164 -8.602 194 HB3 HIS 31 HB3 HIS 31 -8.994 1.210 -9.253 195 HD1 HIS 31 HD1 HIS 31 -7.631 0.379 -5.717 196 HD2 HIS 31 HD2 HIS 31 -10.658 2.454 -7.752 197 HE1 HIS 31 HE1 HIS 31 -9.303 1.155 -3.924 198 H TYR 32 H TYR 32 -6.673 -1.385 -10.370 199 HA TYR 32 HA TYR 32 -8.639 -2.130 -12.437 200 HB2 TYR 32 HB2 TYR 32 -5.625 -1.923 -12.456 201 HB3 TYR 32 HB3 TYR 32 -6.578 -2.450 -13.831 202 HD1 TYR 32 HD1 TYR 32 -8.222 -0.879 -14.940 203 HD2 TYR 32 HD2 TYR 32 -5.479 0.444 -11.901 204 HE1 TYR 32 HE1 TYR 32 -8.611 1.488 -15.608 205 HE2 TYR 32 HE2 TYR 32 -5.901 2.804 -12.531 206 HH TYR 32 HH TYR 32 -8.246 3.702 -15.064 207 H SER 33 H SER 33 -7.513 -3.812 -9.843 208 HA SER 33 HA SER 33 -7.414 -6.462 -11.231 209 HB2 SER 33 HB2 SER 33 -5.445 -5.845 -9.858 210 HB3 SER 33 HB3 SER 33 -6.487 -5.703 -8.445 211 HG SER 33 HG SER 33 -5.982 -8.000 -10.041 212 H THR 34 H THR 34 -8.522 -5.445 -8.011 213 HA THR 34 HA THR 34 -10.302 -5.943 -6.713 214 HB THR 34 HB THR 34 -12.534 -5.720 -7.508 215 HG1 THR 34 HG1 THR 34 -12.825 -6.695 -9.336 216 HG21 THR 34 HG21 THR 34 -11.125 -3.665 -7.380 217 HG22 THR 34 HG22 THR 34 -12.434 -3.554 -8.570 218 HG23 THR 34 HG23 THR 34 -10.769 -3.830 -9.116 219 H GLU 35 H GLU 35 -8.734 -8.132 -7.451 220 HA GLU 35 HA GLU 35 -10.161 -10.367 -8.494 221 HB2 GLU 35 HB2 GLU 35 -7.547 -9.983 -7.032 222 HB3 GLU 35 HB3 GLU 35 -8.113 -11.612 -7.351 223 HG2 GLU 35 HG2 GLU 35 -7.947 -9.612 -9.619 224 HG3 GLU 35 HG3 GLU 35 -6.502 -10.446 -9.035 225 H GLU 36 H GLU 36 -8.970 -10.077 -5.164 226 HA GLU 36 HA GLU 36 -11.016 -11.800 -3.965 227 HB2 GLU 36 HB2 GLU 36 -8.270 -12.958 -4.643 228 HB3 GLU 36 HB3 GLU 36 -9.384 -13.661 -3.475 229 HG2 GLU 36 HG2 GLU 36 -11.079 -13.947 -5.304 230 HG3 GLU 36 HG3 GLU 36 -9.861 -13.379 -6.461 231 H ILE 37 H ILE 37 -7.653 -10.850 -3.819 232 HA ILE 37 HA ILE 37 -7.948 -9.746 -1.046 233 HB ILE 37 HB ILE 37 -5.965 -11.710 -2.150 234 HG12 ILE 37 HG12 ILE 37 -7.229 -11.301 0.573 235 HG13 ILE 37 HG13 ILE 37 -7.801 -12.343 -0.738 236 HG21 ILE 37 HG21 ILE 37 -4.430 -9.860 -1.626 237 HG22 ILE 37 HG22 ILE 37 -5.132 -9.729 0.004 238 HG23 ILE 37 HG23 ILE 37 -4.240 -11.177 -0.491 239 HD11 ILE 37 HD11 ILE 37 -6.691 -13.701 0.918 240 HD12 ILE 37 HD12 ILE 37 -5.740 -13.704 -0.580 241 HD13 ILE 37 HD13 ILE 37 -5.221 -12.725 0.816 242 H LYS 38 H LYS 38 -6.616 -7.989 -0.615 243 HA LYS 38 HA LYS 38 -6.599 -5.816 -2.355 244 HB2 LYS 38 HB2 LYS 38 -4.745 -6.431 -0.026 245 HB3 LYS 38 HB3 LYS 38 -4.871 -4.854 -0.806 246 HG2 LYS 38 HG2 LYS 38 -7.154 -6.293 0.609 247 HG3 LYS 38 HG3 LYS 38 -6.154 -4.995 1.258 248 HD2 LYS 38 HD2 LYS 38 -6.942 -3.616 -0.806 249 HD3 LYS 38 HD3 LYS 38 -8.162 -4.865 -1.036 250 HE2 LYS 38 HE2 LYS 38 -7.727 -3.041 1.341 251 HE3 LYS 38 HE3 LYS 38 -9.092 -2.986 0.212 252 HZ1 LYS 38 HZ1 LYS 38 -9.880 -4.036 2.138 253 HZ2 LYS 38 HZ2 LYS 38 -8.573 -4.999 2.328 254 HZ3 LYS 38 HZ3 LYS 38 -9.672 -5.262 1.091 255 H GLY 39 H GLY 39 -5.799 -6.333 -4.481 256 HA2 GLY 39 HA2 GLY 39 -4.206 -6.539 -6.114 257 HA3 GLY 39 HA3 GLY 39 -3.021 -5.949 -4.940 258 H SER 40 H SER 40 -4.838 -9.082 -4.578 259 HA SER 40 HA SER 40 -2.553 -10.679 -4.276 260 HB2 SER 40 HB2 SER 40 -4.035 -12.596 -4.955 261 HB3 SER 40 HB3 SER 40 -4.634 -11.556 -3.678 262 HG SER 40 HG SER 40 -5.932 -12.265 -5.746 263 H ASP 41 H ASP 41 -3.629 -9.372 -7.252 264 HA ASP 41 HA ASP 41 -1.572 -10.947 -8.742 265 HB2 ASP 41 HB2 ASP 41 -3.933 -11.092 -9.516 266 HB3 ASP 41 HB3 ASP 41 -3.937 -9.347 -9.767 267 H CYS 42 H CYS 42 -1.055 -8.673 -6.975 268 HA CYS 42 HA CYS 42 0.404 -6.767 -8.722 269 HB2 CYS 42 HB2 CYS 42 -1.853 -6.050 -6.815 270 HB3 CYS 42 HB3 CYS 42 -0.704 -4.864 -7.385 271 H VAL 43 H VAL 43 0.853 -8.841 -6.304 272 HA VAL 43 HA VAL 43 1.038 -7.287 -3.971 273 HB VAL 43 HB VAL 43 1.975 -9.067 -2.834 274 HG11 VAL 43 HG11 VAL 43 -0.328 -9.413 -3.551 275 HG12 VAL 43 HG12 VAL 43 0.235 -10.308 -4.983 276 HG13 VAL 43 HG13 VAL 43 0.540 -10.940 -3.353 277 HG21 VAL 43 HG21 VAL 43 2.892 -11.125 -3.895 278 HG22 VAL 43 HG22 VAL 43 2.908 -10.270 -5.452 279 HG23 VAL 43 HG23 VAL 43 3.906 -9.698 -4.084 280 H ASP 44 H ASP 44 3.542 -7.785 -6.403 281 HA ASP 44 HA ASP 44 5.776 -6.885 -4.925 282 HB2 ASP 44 HB2 ASP 44 5.797 -8.011 -7.127 283 HB3 ASP 44 HB3 ASP 44 5.171 -6.542 -7.880 284 H GLN 45 H GLN 45 3.169 -4.905 -6.394 285 HA GLN 45 HA GLN 45 4.497 -2.387 -6.043 286 HB2 GLN 45 HB2 GLN 45 1.579 -3.145 -6.313 287 HB3 GLN 45 HB3 GLN 45 2.140 -1.497 -6.017 288 HG2 GLN 45 HG2 GLN 45 1.784 -1.775 -8.364 289 HG3 GLN 45 HG3 GLN 45 3.477 -1.473 -8.019 290 HE21 GLN 45 HE21 GLN 45 1.163 -3.968 -9.098 291 HE22 GLN 45 HE22 GLN 45 2.409 -4.923 -9.870 292 H PHE 46 H PHE 46 2.233 -4.226 -3.939 293 HA PHE 46 HA PHE 46 2.365 -2.407 -1.700 294 HB2 PHE 46 HB2 PHE 46 1.658 -5.341 -1.910 295 HB3 PHE 46 HB3 PHE 46 1.504 -4.399 -0.432 296 HD1 PHE 46 HD1 PHE 46 0.054 -4.713 -3.872 297 HD2 PHE 46 HD2 PHE 46 -0.348 -3.036 0.082 298 HE1 PHE 46 HE1 PHE 46 -2.211 -3.835 -4.450 299 HE2 PHE 46 HE2 PHE 46 -2.547 -2.124 -0.512 300 HZ PHE 46 HZ PHE 46 -3.503 -2.538 -2.784 301 H ARG 47 H ARG 47 4.225 -5.324 -2.575 302 HA ARG 47 HA ARG 47 5.894 -5.498 -0.352 303 HB2 ARG 47 HB2 ARG 47 5.722 -7.090 -2.335 304 HB3 ARG 47 HB3 ARG 47 6.875 -6.028 -3.173 305 HG2 ARG 47 HG2 ARG 47 8.505 -6.366 -1.327 306 HG3 ARG 47 HG3 ARG 47 7.324 -7.382 -0.475 307 HD2 ARG 47 HD2 ARG 47 7.323 -8.953 -2.425 308 HD3 ARG 47 HD3 ARG 47 8.586 -7.960 -3.184 309 HE ARG 47 HE ARG 47 9.275 -8.768 -0.491 310 HH11 ARG 47 HH11 ARG 47 9.260 -9.934 -3.860 311 HH12 ARG 47 HH12 ARG 47 10.517 -11.116 -3.565 312 HH21 ARG 47 HH21 ARG 47 10.900 -10.307 -0.155 313 HH22 ARG 47 HH22 ARG 47 11.440 -11.329 -1.468 314 H ALA 48 H ALA 48 6.369 -3.536 -3.286 315 HA ALA 48 HA ALA 48 8.669 -2.103 -2.426 316 HB1 ALA 48 HB1 ALA 48 6.498 -1.350 -4.375 317 HB2 ALA 48 HB2 ALA 48 8.039 -0.472 -4.123 318 HB3 ALA 48 HB3 ALA 48 8.060 -2.159 -4.699 319 H MET 49 H MET 49 5.153 -1.315 -1.997 320 HA MET 49 HA MET 49 5.561 1.191 -0.774 321 HB2 MET 49 HB2 MET 49 3.387 0.270 -1.621 322 HB3 MET 49 HB3 MET 49 3.308 -0.765 -0.184 323 HG2 MET 49 HG2 MET 49 3.277 1.208 1.268 324 HG3 MET 49 HG3 MET 49 3.542 2.265 -0.120 325 HE1 MET 49 HE1 MET 49 1.028 0.204 1.969 326 HE2 MET 49 HE2 MET 49 -0.418 0.126 0.941 327 HE3 MET 49 HE3 MET 49 1.028 -0.811 0.505 328 H GLN 50 H GLN 50 5.277 -1.989 0.894 329 HA GLN 50 HA GLN 50 5.977 -1.022 3.446 330 HB2 GLN 50 HB2 GLN 50 5.057 -3.253 2.910 331 HB3 GLN 50 HB3 GLN 50 6.588 -3.750 2.205 332 HG2 GLN 50 HG2 GLN 50 6.305 -2.791 5.092 333 HG3 GLN 50 HG3 GLN 50 6.042 -4.466 4.631 334 HE21 GLN 50 HE21 GLN 50 8.025 -3.526 6.497 335 HE22 GLN 50 HE22 GLN 50 9.596 -3.976 5.827 336 H GLU 51 H GLU 51 8.128 -2.302 0.938 337 HA GLU 51 HA GLU 51 10.664 -2.002 2.165 338 HB2 GLU 51 HB2 GLU 51 10.289 -3.288 0.209 339 HB3 GLU 51 HB3 GLU 51 9.548 -1.979 -0.640 340 HG2 GLU 51 HG2 GLU 51 11.495 -0.940 -1.248 341 HG3 GLU 51 HG3 GLU 51 12.488 -1.863 -0.080 342 H CYS 52 H CYS 52 8.808 0.481 0.447 343 HA CYS 52 HA CYS 52 10.919 2.459 0.858 344 HB2 CYS 52 HB2 CYS 52 9.518 2.490 -1.144 345 HB3 CYS 52 HB3 CYS 52 8.085 2.806 -0.226 346 H MET 53 H MET 53 7.729 1.768 2.450 347 HA MET 53 HA MET 53 7.873 4.258 3.914 348 HB2 MET 53 HB2 MET 53 5.985 1.886 4.086 349 HB3 MET 53 HB3 MET 53 5.842 3.324 5.110 350 HG2 MET 53 HG2 MET 53 5.681 4.776 3.154 351 HG3 MET 53 HG3 MET 53 5.875 3.396 2.070 352 HE1 MET 53 HE1 MET 53 2.147 4.682 1.550 353 HE2 MET 53 HE2 MET 53 3.510 5.704 2.038 354 HE3 MET 53 HE3 MET 53 3.731 4.466 0.778 355 H GLN 54 H GLN 54 8.808 0.993 4.594 356 HA GLN 54 HA GLN 54 9.425 1.058 7.311 357 HB2 GLN 54 HB2 GLN 54 10.787 -0.855 6.769 358 HB3 GLN 54 HB3 GLN 54 9.401 -0.865 5.764 359 HG2 GLN 54 HG2 GLN 54 11.102 -1.509 4.347 360 HG3 GLN 54 HG3 GLN 54 10.866 0.197 3.961 361 HE21 GLN 54 HE21 GLN 54 12.953 0.118 3.008 362 HE22 GLN 54 HE22 GLN 54 14.402 0.238 4.036 363 H LYS 55 H LYS 55 11.133 2.794 4.778 364 HA LYS 55 HA LYS 55 13.450 3.527 6.337 365 HB2 LYS 55 HB2 LYS 55 12.296 4.706 3.843 366 HB3 LYS 55 HB3 LYS 55 13.739 5.298 4.656 367 HG2 LYS 55 HG2 LYS 55 14.415 2.683 4.510 368 HG3 LYS 55 HG3 LYS 55 13.337 2.768 3.107 369 HD2 LYS 55 HD2 LYS 55 15.809 4.463 3.670 370 HD3 LYS 55 HD3 LYS 55 15.661 3.208 2.428 371 HE2 LYS 55 HE2 LYS 55 14.066 4.499 1.176 372 HE3 LYS 55 HE3 LYS 55 13.831 5.628 2.516 373 HZ1 LYS 55 HZ1 LYS 55 15.270 6.495 0.713 374 HZ2 LYS 55 HZ2 LYS 55 16.412 5.385 1.088 375 HZ3 LYS 55 HZ3 LYS 55 15.992 6.511 2.204 376 H TYR 56 H TYR 56 10.264 4.732 6.716 377 HA TYR 56 HA TYR 56 11.358 7.218 7.979 378 HB2 TYR 56 HB2 TYR 56 9.206 7.172 5.852 379 HB3 TYR 56 HB3 TYR 56 9.816 8.536 6.755 380 HD1 TYR 56 HD1 TYR 56 12.355 9.004 6.702 381 HD2 TYR 56 HD2 TYR 56 10.459 6.376 3.891 382 HE1 TYR 56 HE1 TYR 56 14.092 9.533 5.076 383 HE2 TYR 56 HE2 TYR 56 12.092 7.089 2.123 384 HH TYR 56 HH TYR 56 14.770 9.338 2.869 385 HA PRO 57 HA PRO 57 8.348 5.460 10.732 386 HB2 PRO 57 HB2 PRO 57 8.828 6.936 13.011 387 HB3 PRO 57 HB3 PRO 57 9.901 5.639 12.411 388 HG2 PRO 57 HG2 PRO 57 10.167 8.632 12.004 389 HG3 PRO 57 HG3 PRO 57 11.433 7.456 12.483 390 HD2 PRO 57 HD2 PRO 57 11.145 8.303 9.917 391 HD3 PRO 57 HD3 PRO 57 11.617 6.618 10.299 392 H ASP 58 H ASP 58 8.434 9.014 10.894 393 HA ASP 58 HA ASP 58 5.563 9.307 10.366 394 HB2 ASP 58 HB2 ASP 58 5.606 8.508 12.566 395 HB3 ASP 58 HB3 ASP 58 6.602 9.923 13.042 396 H LEU 59 H LEU 59 6.786 10.232 8.757 397 HA LEU 59 HA LEU 59 8.426 12.643 9.365 398 HB2 LEU 59 HB2 LEU 59 9.677 10.706 9.014 399 HB3 LEU 59 HB3 LEU 59 8.703 10.114 7.727 400 HG LEU 59 HG LEU 59 11.055 10.716 7.253 401 HD11 LEU 59 HD11 LEU 59 9.565 10.355 5.403 402 HD12 LEU 59 HD12 LEU 59 10.699 11.641 5.027 403 HD13 LEU 59 HD13 LEU 59 9.028 12.061 5.446 404 HD21 LEU 59 HD21 LEU 59 11.017 12.875 8.458 405 HD22 LEU 59 HD22 LEU 59 10.105 13.541 7.071 406 HD23 LEU 59 HD23 LEU 59 11.738 12.876 6.820 407 H TYR 60 H TYR 60 5.683 11.617 7.836 408 HA TYR 60 HA TYR 60 5.354 13.857 5.917 409 HB2 TYR 60 HB2 TYR 60 4.793 12.198 4.091 410 HB3 TYR 60 HB3 TYR 60 6.482 12.306 4.533 411 HD1 TYR 60 HD1 TYR 60 7.480 10.503 6.014 412 HD2 TYR 60 HD2 TYR 60 3.699 10.031 4.046 413 HE1 TYR 60 HE1 TYR 60 7.429 8.195 6.801 414 HE2 TYR 60 HE2 TYR 60 3.843 7.582 4.467 415 HH TYR 60 HH TYR 60 4.753 5.964 5.756 416 H GLU 61 H GLU 61 -5.195 11.597 13.837 417 HA GLU 61 HA GLU 61 -4.431 9.421 13.640 418 HB2 GLU 61 HB2 GLU 61 -5.519 9.023 16.451 419 HB3 GLU 61 HB3 GLU 61 -5.011 7.712 15.374 420 HG2 GLU 61 HG2 GLU 61 -2.749 8.758 15.198 421 HG3 GLU 61 HG3 GLU 61 -3.228 9.927 16.432 422 H HIS 62 H HIS 62 -5.571 7.854 12.672 423 HA HIS 62 HA HIS 62 -7.246 6.664 11.744 424 HB2 HIS 62 HB2 HIS 62 -8.880 7.212 14.222 425 HB3 HIS 62 HB3 HIS 62 -9.047 5.865 13.106 426 HD1 HIS 62 HD1 HIS 62 -7.515 6.673 16.313 427 HD2 HIS 62 HD2 HIS 62 -6.558 4.252 13.015 428 HE1 HIS 62 HE1 HIS 62 -5.766 4.998 17.137 429 H CYS 63 H CYS 63 -7.058 8.868 10.496 430 HA CYS 63 HA CYS 63 -9.158 10.738 10.644 431 HB2 CYS 63 HB2 CYS 63 -8.216 11.668 8.572 432 HB3 CYS 63 HB3 CYS 63 -7.045 11.350 9.834 433 H GLY 64 H GLY 64 -9.525 7.694 9.304 434 HA2 GLY 64 HA2 GLY 64 -12.270 8.061 8.641 435 HA3 GLY 64 HA3 GLY 64 -11.345 8.079 7.137 436 H HIS 65 H HIS 65 -12.871 6.046 6.915 437 HA HIS 65 HA HIS 65 -11.893 3.688 8.371 438 HB2 HIS 65 HB2 HIS 65 -14.082 4.007 6.299 439 HB3 HIS 65 HB3 HIS 65 -13.680 2.504 7.127 440 HD1 HIS 65 HD1 HIS 65 -13.525 3.143 10.070 441 HD2 HIS 65 HD2 HIS 65 -16.200 5.033 7.432 442 HE1 HIS 65 HE1 HIS 65 -15.412 4.071 11.518 443 H LEU 66 H LEU 66 -11.745 4.756 4.926 444 HA LEU 66 HA LEU 66 -10.443 2.331 4.217 445 HB2 LEU 66 HB2 LEU 66 -10.199 3.082 2.028 446 HB3 LEU 66 HB3 LEU 66 -11.820 3.374 2.608 447 HG LEU 66 HG LEU 66 -9.730 5.590 2.426 448 HD11 LEU 66 HD11 LEU 66 -11.821 4.739 0.365 449 HD12 LEU 66 HD12 LEU 66 -10.070 4.544 0.191 450 HD13 LEU 66 HD13 LEU 66 -10.769 6.167 0.258 451 HD21 LEU 66 HD21 LEU 66 -12.795 5.607 2.461 452 HD22 LEU 66 HD22 LEU 66 -11.759 7.028 2.233 453 HD23 LEU 66 HD23 LEU 66 -11.743 6.174 3.771 454 H ILE 67 H ILE 67 -8.895 5.339 5.338 455 HA ILE 67 HA ILE 67 -6.285 4.586 4.683 456 HB ILE 67 HB ILE 67 -6.818 6.721 5.670 457 HG12 ILE 67 HG12 ILE 67 -4.961 7.010 7.228 458 HG13 ILE 67 HG13 ILE 67 -4.813 5.267 7.446 459 HG21 ILE 67 HG21 ILE 67 -8.484 6.059 7.359 460 HG22 ILE 67 HG22 ILE 67 -7.223 5.264 8.316 461 HG23 ILE 67 HG23 ILE 67 -7.191 7.009 8.096 462 HD11 ILE 67 HD11 ILE 67 -4.088 5.002 5.119 463 HD12 ILE 67 HD12 ILE 67 -4.429 6.721 4.788 464 HD13 ILE 67 HD13 ILE 67 -3.118 6.261 5.894 465 H GLU 68 H GLU 68 -8.146 3.447 7.525 466 HA GLU 68 HA GLU 68 -6.227 1.490 8.313 467 HB2 GLU 68 HB2 GLU 68 -7.799 2.196 9.888 468 HB3 GLU 68 HB3 GLU 68 -9.160 1.859 8.828 469 HG2 GLU 68 HG2 GLU 68 -9.127 0.242 10.572 470 HG3 GLU 68 HG3 GLU 68 -8.791 -0.549 9.049 471 H ALA 69 H ALA 69 -8.758 1.290 5.750 472 HA ALA 69 HA ALA 69 -8.279 -1.477 5.221 473 HB1 ALA 69 HB1 ALA 69 -10.257 -0.219 4.419 474 HB2 ALA 69 HB2 ALA 69 -9.219 0.626 3.244 475 HB3 ALA 69 HB3 ALA 69 -9.420 -1.121 3.144 476 H HIS 70 H HIS 70 -6.584 1.452 3.945 477 HA HIS 70 HA HIS 70 -4.801 0.041 2.208 478 HB2 HIS 70 HB2 HIS 70 -4.096 2.557 3.751 479 HB3 HIS 70 HB3 HIS 70 -3.476 2.033 2.194 480 HD1 HIS 70 HD1 HIS 70 -6.536 1.591 0.893 481 HD2 HIS 70 HD2 HIS 70 -4.933 4.929 2.881 482 HE1 HIS 70 HE1 HIS 70 -7.961 3.606 0.243 483 H LYS 71 H LYS 71 -4.437 1.068 5.608 484 HA LYS 71 HA LYS 71 -2.009 -0.250 6.230 485 HB2 LYS 71 HB2 LYS 71 -4.405 0.451 7.946 486 HB3 LYS 71 HB3 LYS 71 -2.893 -0.187 8.597 487 HG2 LYS 71 HG2 LYS 71 -1.630 1.700 7.939 488 HG3 LYS 71 HG3 LYS 71 -2.856 2.279 6.815 489 HD2 LYS 71 HD2 LYS 71 -2.693 3.646 8.881 490 HD3 LYS 71 HD3 LYS 71 -4.311 2.988 8.591 491 HE2 LYS 71 HE2 LYS 71 -3.946 1.209 10.220 492 HE3 LYS 71 HE3 LYS 71 -2.266 1.734 10.465 493 HZ1 LYS 71 HZ1 LYS 71 -2.999 3.682 11.520 494 HZ2 LYS 71 HZ2 LYS 71 -3.968 2.488 12.123 495 HZ3 LYS 71 HZ3 LYS 71 -4.557 3.521 10.993 496 H GLU 72 H GLU 72 -5.320 -1.571 6.684 497 HA GLU 72 HA GLU 72 -4.687 -4.223 7.384 498 HB2 GLU 72 HB2 GLU 72 -6.932 -3.312 7.446 499 HB3 GLU 72 HB3 GLU 72 -6.933 -3.072 5.707 500 HG2 GLU 72 HG2 GLU 72 -6.489 -5.889 6.247 501 HG3 GLU 72 HG3 GLU 72 -7.836 -5.320 7.205 502 H SER 73 H SER 73 -4.831 -2.824 4.057 503 HA SER 73 HA SER 73 -4.261 -5.204 2.626 504 HB2 SER 73 HB2 SER 73 -3.133 -2.489 1.856 505 HB3 SER 73 HB3 SER 73 -3.521 -3.847 0.821 506 HG SER 73 HG SER 73 -5.501 -2.439 2.322 507 H MET 74 H MET 74 -1.859 -2.657 3.613 508 HA MET 74 HA MET 74 0.315 -4.374 2.937 509 HB2 MET 74 HB2 MET 74 1.756 -2.645 3.748 510 HB3 MET 74 HB3 MET 74 0.422 -1.971 2.795 511 HG2 MET 74 HG2 MET 74 -0.724 -1.264 4.819 512 HG3 MET 74 HG3 MET 74 0.495 -2.012 5.848 513 HE1 MET 74 HE1 MET 74 2.643 -0.937 6.619 514 HE2 MET 74 HE2 MET 74 3.293 -1.267 4.994 515 HE3 MET 74 HE3 MET 74 3.506 0.337 5.731 516 H ARG 75 H ARG 75 -1.266 -3.914 6.018 517 HA ARG 75 HA ARG 75 0.576 -5.290 7.710 518 HB2 ARG 75 HB2 ARG 75 -1.268 -3.820 8.485 519 HB3 ARG 75 HB3 ARG 75 -2.447 -5.043 7.977 520 HG2 ARG 75 HG2 ARG 75 -1.299 -6.653 9.600 521 HG3 ARG 75 HG3 ARG 75 -0.336 -5.283 10.168 522 HD2 ARG 75 HD2 ARG 75 -3.371 -5.572 10.248 523 HD3 ARG 75 HD3 ARG 75 -2.275 -5.715 11.620 524 HE ARG 75 HE ARG 75 -1.726 -3.350 11.413 525 HH11 ARG 75 HH11 ARG 75 -4.709 -4.351 9.705 526 HH12 ARG 75 HH12 ARG 75 -5.359 -2.728 9.709 527 HH21 ARG 75 HH21 ARG 75 -2.635 -1.281 11.387 528 HH22 ARG 75 HH22 ARG 75 -4.200 -1.011 10.652 529 H ALA 76 H ALA 76 -2.341 -6.480 5.958 530 HA ALA 76 HA ALA 76 -1.979 -9.230 6.666 531 HB1 ALA 76 HB1 ALA 76 -3.613 -9.654 4.891 532 HB2 ALA 76 HB2 ALA 76 -4.119 -8.289 5.902 533 HB3 ALA 76 HB3 ALA 76 -3.419 -8.000 4.286 534 H LEU 77 H LEU 77 -0.795 -7.359 3.741 535 HA LEU 77 HA LEU 77 0.559 -9.555 2.583 536 HB2 LEU 77 HB2 LEU 77 0.356 -7.265 1.528 537 HB3 LEU 77 HB3 LEU 77 1.552 -6.678 2.682 538 HG LEU 77 HG LEU 77 3.033 -8.706 1.752 539 HD11 LEU 77 HD11 LEU 77 1.173 -8.163 -0.600 540 HD12 LEU 77 HD12 LEU 77 1.206 -9.663 0.349 541 HD13 LEU 77 HD13 LEU 77 2.625 -9.194 -0.594 542 HD21 LEU 77 HD21 LEU 77 2.578 -6.235 0.090 543 HD22 LEU 77 HD22 LEU 77 4.006 -7.280 0.061 544 HD23 LEU 77 HD23 LEU 77 3.631 -6.337 1.517 545 H GLY 78 H GLY 78 1.861 -7.186 4.962 546 HA2 GLY 78 HA2 GLY 78 4.408 -8.298 5.342 547 HA3 GLY 78 HA3 GLY 78 3.519 -7.355 6.546 548 H PHE 79 H PHE 79 1.385 -9.117 7.037 549 HA PHE 79 HA PHE 79 2.405 -11.113 8.776 550 HB2 PHE 79 HB2 PHE 79 0.259 -10.079 9.114 551 HB3 PHE 79 HB3 PHE 79 -0.326 -10.656 7.563 552 HD1 PHE 79 HD1 PHE 79 1.541 -12.829 10.014 553 HD2 PHE 79 HD2 PHE 79 -2.294 -11.695 8.384 554 HE1 PHE 79 HE1 PHE 79 0.490 -14.787 11.098 555 HE2 PHE 79 HE2 PHE 79 -3.341 -13.641 9.502 556 HZ PHE 79 HZ PHE 79 -1.946 -15.204 10.851 557 H LYS 80 H LYS 80 0.670 -11.688 5.640 558 HA LYS 80 HA LYS 80 1.412 -14.491 5.761 559 HB2 LYS 80 HB2 LYS 80 -0.145 -12.893 3.711 560 HB3 LYS 80 HB3 LYS 80 0.081 -14.636 3.625 561 HG2 LYS 80 HG2 LYS 80 -1.297 -13.182 5.932 562 HG3 LYS 80 HG3 LYS 80 -2.101 -13.997 4.597 563 HD2 LYS 80 HD2 LYS 80 -0.974 -16.157 5.305 564 HD3 LYS 80 HD3 LYS 80 -0.379 -15.305 6.743 565 HE2 LYS 80 HE2 LYS 80 -2.682 -14.803 7.437 566 HE3 LYS 80 HE3 LYS 80 -3.317 -15.589 5.985 567 HZ1 LYS 80 HZ1 LYS 80 -1.665 -16.990 8.013 568 HZ2 LYS 80 HZ2 LYS 80 -2.455 -17.688 6.756 569 HZ3 LYS 80 HZ3 LYS 80 -3.309 -17.027 8.016 570 H ILE 81 H ILE 81 3.112 -11.903 4.240 571 HA ILE 81 HA ILE 81 4.722 -13.723 2.656 572 HB ILE 81 HB ILE 81 4.297 -11.331 2.106 573 HG12 ILE 81 HG12 ILE 81 7.221 -12.194 2.126 574 HG13 ILE 81 HG13 ILE 81 5.994 -12.844 1.039 575 HG21 ILE 81 HG21 ILE 81 4.942 -10.467 4.439 576 HG22 ILE 81 HG22 ILE 81 6.621 -10.695 3.957 577 HG23 ILE 81 HG23 ILE 81 5.585 -9.567 3.058 578 HD11 ILE 81 HD11 ILE 81 7.274 -11.134 -0.110 579 HD12 ILE 81 HD12 ILE 81 5.602 -10.577 0.100 580 HD13 ILE 81 HD13 ILE 81 6.898 -9.938 1.141 Start of MODEL 10 1 H ASN 1 H ASN 1 -12.191 8.756 -15.173 2 HA ASN 1 HA ASN 1 -10.570 9.174 -16.790 3 HB2 ASN 1 HB2 ASN 1 -8.507 10.376 -16.294 4 HB3 ASN 1 HB3 ASN 1 -9.942 11.390 -16.447 5 HD21 ASN 1 HD21 ASN 1 -7.689 9.970 -14.027 6 HD22 ASN 1 HD22 ASN 1 -8.473 10.880 -12.736 7 H GLY 2 H GLY 2 -11.222 7.086 -15.262 8 HA2 GLY 2 HA2 GLY 2 -10.475 4.957 -14.786 9 HA3 GLY 2 HA3 GLY 2 -8.923 5.398 -15.492 10 H ASN 3 H ASN 3 -9.501 7.495 -12.914 11 HA ASN 3 HA ASN 3 -7.287 6.119 -11.491 12 HB2 ASN 3 HB2 ASN 3 -7.125 8.404 -12.666 13 HB3 ASN 3 HB3 ASN 3 -8.149 9.038 -11.371 14 HD21 ASN 3 HD21 ASN 3 -5.154 7.191 -11.950 15 HD22 ASN 3 HD22 ASN 3 -4.288 7.922 -10.630 16 H ILE 4 H ILE 4 -7.035 6.545 -9.187 17 HA ILE 4 HA ILE 4 -9.318 6.238 -7.457 18 HB ILE 4 HB ILE 4 -6.378 6.966 -7.168 19 HG12 ILE 4 HG12 ILE 4 -6.402 5.011 -5.560 20 HG13 ILE 4 HG13 ILE 4 -8.038 4.655 -6.064 21 HG21 ILE 4 HG21 ILE 4 -8.397 7.127 -4.936 22 HG22 ILE 4 HG22 ILE 4 -6.643 7.005 -4.709 23 HG23 ILE 4 HG23 ILE 4 -7.254 8.383 -5.529 24 HD11 ILE 4 HD11 ILE 4 -5.545 4.792 -7.849 25 HD12 ILE 4 HD12 ILE 4 -6.228 3.308 -7.187 26 HD13 ILE 4 HD13 ILE 4 -7.163 4.234 -8.381 27 H ASN 5 H ASN 5 -7.568 9.045 -8.504 28 HA ASN 5 HA ASN 5 -7.596 11.237 -8.041 29 HB2 ASN 5 HB2 ASN 5 -10.040 10.890 -8.734 30 HB3 ASN 5 HB3 ASN 5 -10.434 11.067 -7.024 31 HD21 ASN 5 HD21 ASN 5 -10.012 13.064 -5.925 32 HD22 ASN 5 HD22 ASN 5 -9.523 14.498 -6.830 33 H TRP 6 H TRP 6 -6.252 11.876 -6.502 34 HA TRP 6 HA TRP 6 -6.200 10.287 -4.014 35 HB2 TRP 6 HB2 TRP 6 -4.089 12.078 -5.249 36 HB3 TRP 6 HB3 TRP 6 -3.853 10.916 -3.943 37 HD1 TRP 6 HD1 TRP 6 -3.662 11.201 -7.568 38 HE1 TRP 6 HE1 TRP 6 -3.326 8.896 -8.714 39 HE3 TRP 6 HE3 TRP 6 -4.433 8.250 -3.534 40 HZ2 TRP 6 HZ2 TRP 6 -3.112 6.160 -7.850 41 HZ3 TRP 6 HZ3 TRP 6 -4.153 5.806 -3.705 42 HH2 TRP 6 HH2 TRP 6 -3.578 4.724 -5.856 43 H ASN 7 H ASN 7 -7.974 12.766 -4.179 44 HA ASN 7 HA ASN 7 -6.591 14.637 -2.361 45 HB2 ASN 7 HB2 ASN 7 -7.606 15.413 -4.489 46 HB3 ASN 7 HB3 ASN 7 -9.206 14.987 -3.863 47 HD21 ASN 7 HD21 ASN 7 -6.245 16.832 -2.942 48 HD22 ASN 7 HD22 ASN 7 -7.102 18.033 -2.000 49 H SER 8 H SER 8 -7.505 15.561 -0.591 50 HA SER 8 HA SER 8 -8.131 15.474 1.549 51 HB2 SER 8 HB2 SER 8 -10.258 15.540 1.832 52 HB3 SER 8 HB3 SER 8 -10.536 14.837 0.245 53 HG SER 8 HG SER 8 -11.416 13.759 2.284 54 HA PRO 9 HA PRO 9 -5.840 12.393 3.129 55 HB2 PRO 9 HB2 PRO 9 -6.125 12.472 5.824 56 HB3 PRO 9 HB3 PRO 9 -5.658 13.887 4.843 57 HG2 PRO 9 HG2 PRO 9 -8.450 13.155 5.773 58 HG3 PRO 9 HG3 PRO 9 -7.582 14.704 6.043 59 HD2 PRO 9 HD2 PRO 9 -9.293 14.383 3.955 60 HD3 PRO 9 HD3 PRO 9 -7.777 15.314 3.770 61 H CYS 10 H CYS 10 -8.649 11.243 2.436 62 HA CYS 10 HA CYS 10 -8.730 8.708 3.830 63 HB2 CYS 10 HB2 CYS 10 -10.000 9.896 1.385 64 HB3 CYS 10 HB3 CYS 10 -10.007 8.154 1.567 65 H LEU 11 H LEU 11 -7.854 9.010 0.297 66 HA LEU 11 HA LEU 11 -5.497 7.305 0.873 67 HB2 LEU 11 HB2 LEU 11 -6.227 8.484 -1.804 68 HB3 LEU 11 HB3 LEU 11 -5.089 7.208 -1.461 69 HG LEU 11 HG LEU 11 -7.392 6.141 -0.403 70 HD11 LEU 11 HD11 LEU 11 -9.075 6.454 -2.286 71 HD12 LEU 11 HD12 LEU 11 -8.052 7.805 -2.823 72 HD13 LEU 11 HD13 LEU 11 -8.824 7.852 -1.229 73 HD21 LEU 11 HD21 LEU 11 -6.301 5.681 -3.158 74 HD22 LEU 11 HD22 LEU 11 -7.620 4.756 -2.430 75 HD23 LEU 11 HD23 LEU 11 -6.035 4.729 -1.693 76 H GLY 12 H GLY 12 -6.143 10.759 0.660 77 HA2 GLY 12 HA2 GLY 12 -3.899 11.564 -0.859 78 HA3 GLY 12 HA3 GLY 12 -4.779 12.579 0.285 79 H GLY 13 H GLY 13 -4.024 11.011 2.671 80 HA2 GLY 13 HA2 GLY 13 -1.303 11.887 3.181 81 HA3 GLY 13 HA3 GLY 13 -2.323 10.873 4.216 82 H MET 14 H MET 14 -2.798 8.657 2.897 83 HA MET 14 HA MET 14 -0.504 7.025 2.981 84 HB2 MET 14 HB2 MET 14 -3.026 6.474 3.078 85 HB3 MET 14 HB3 MET 14 -2.944 6.421 1.339 86 HG2 MET 14 HG2 MET 14 -2.706 4.191 2.275 87 HG3 MET 14 HG3 MET 14 -1.206 4.656 1.483 88 HE1 MET 14 HE1 MET 14 -1.682 4.454 6.111 89 HE2 MET 14 HE2 MET 14 -2.283 5.839 5.184 90 HE3 MET 14 HE3 MET 14 -3.036 4.236 4.976 91 H ALA 15 H ALA 15 -1.882 8.720 0.317 92 HA ALA 15 HA ALA 15 -0.013 7.746 -1.728 93 HB1 ALA 15 HB1 ALA 15 -1.510 8.865 -3.251 94 HB2 ALA 15 HB2 ALA 15 -2.515 8.063 -2.064 95 HB3 ALA 15 HB3 ALA 15 -2.257 9.810 -1.963 96 H SER 16 H SER 16 0.109 10.245 0.531 97 HA SER 16 HA SER 16 2.214 11.731 -0.993 98 HB2 SER 16 HB2 SER 16 0.898 12.302 1.691 99 HB3 SER 16 HB3 SER 16 2.140 13.303 0.923 100 HG SER 16 HG SER 16 -0.490 12.748 0.042 101 H GLY 17 H GLY 17 4.115 12.405 0.626 102 HA2 GLY 17 HA2 GLY 17 5.674 11.729 2.339 103 HA3 GLY 17 HA3 GLY 17 4.922 10.169 2.398 104 HA PRO 18 HA PRO 18 9.164 9.831 0.173 105 HB2 PRO 18 HB2 PRO 18 9.766 7.548 1.626 106 HB3 PRO 18 HB3 PRO 18 10.148 9.228 2.105 107 HG2 PRO 18 HG2 PRO 18 7.690 7.669 2.956 108 HG3 PRO 18 HG3 PRO 18 8.925 8.444 4.004 109 HD2 PRO 18 HD2 PRO 18 6.825 9.898 3.458 110 HD3 PRO 18 HD3 PRO 18 8.390 10.642 3.107 111 H CYS 19 H CYS 19 6.467 7.678 0.926 112 HA CYS 19 HA CYS 19 7.139 5.927 -1.403 113 HB2 CYS 19 HB2 CYS 19 5.811 5.132 1.194 114 HB3 CYS 19 HB3 CYS 19 6.347 4.050 -0.081 115 H GLY 20 H GLY 20 5.271 8.329 -1.014 116 HA2 GLY 20 HA2 GLY 20 2.557 7.603 -1.026 117 HA3 GLY 20 HA3 GLY 20 3.251 9.015 -1.851 118 H GLU 21 H GLU 21 4.781 7.944 -3.753 119 HA GLU 21 HA GLU 21 3.170 7.145 -5.948 120 HB2 GLU 21 HB2 GLU 21 5.242 6.911 -7.018 121 HB3 GLU 21 HB3 GLU 21 5.436 8.241 -5.909 122 HG2 GLU 21 HG2 GLU 21 6.469 6.271 -4.377 123 HG3 GLU 21 HG3 GLU 21 6.657 5.489 -5.926 124 H GLN 22 H GLN 22 4.858 5.041 -3.559 125 HA GLN 22 HA GLN 22 4.269 2.652 -5.027 126 HB2 GLN 22 HB2 GLN 22 4.589 2.674 -2.025 127 HB3 GLN 22 HB3 GLN 22 5.027 1.444 -3.200 128 HG2 GLN 22 HG2 GLN 22 6.369 4.083 -2.620 129 HG3 GLN 22 HG3 GLN 22 6.931 2.498 -2.204 130 HE21 GLN 22 HE21 GLN 22 8.469 4.368 -3.423 131 HE22 GLN 22 HE22 GLN 22 8.802 3.952 -5.099 132 H PHE 23 H PHE 23 2.423 4.503 -2.527 133 HA PHE 23 HA PHE 23 0.234 2.657 -2.550 134 HB2 PHE 23 HB2 PHE 23 0.626 4.733 -0.937 135 HB3 PHE 23 HB3 PHE 23 -0.183 5.630 -2.188 136 HD1 PHE 23 HD1 PHE 23 -0.731 2.208 -0.706 137 HD2 PHE 23 HD2 PHE 23 -2.459 6.076 -1.562 138 HE1 PHE 23 HE1 PHE 23 -2.875 1.470 0.273 139 HE2 PHE 23 HE2 PHE 23 -4.458 5.412 -0.301 140 HZ PHE 23 HZ PHE 23 -4.774 3.063 0.418 141 H LYS 24 H LYS 24 0.861 5.597 -4.521 142 HA LYS 24 HA LYS 24 -1.417 5.614 -6.098 143 HB2 LYS 24 HB2 LYS 24 1.333 6.004 -7.256 144 HB3 LYS 24 HB3 LYS 24 -0.108 6.648 -7.875 145 HG2 LYS 24 HG2 LYS 24 1.129 7.516 -5.260 146 HG3 LYS 24 HG3 LYS 24 1.212 8.344 -6.814 147 HD2 LYS 24 HD2 LYS 24 -1.348 8.387 -6.689 148 HD3 LYS 24 HD3 LYS 24 -1.218 7.817 -5.070 149 HE2 LYS 24 HE2 LYS 24 -1.431 10.270 -5.035 150 HE3 LYS 24 HE3 LYS 24 0.201 9.833 -4.510 151 HZ1 LYS 24 HZ1 LYS 24 0.931 10.307 -6.831 152 HZ2 LYS 24 HZ2 LYS 24 0.340 11.628 -6.070 153 HZ3 LYS 24 HZ3 LYS 24 -0.577 10.888 -7.171 154 H SER 25 H SER 25 1.499 3.883 -6.694 155 HA SER 25 HA SER 25 0.722 2.369 -8.942 156 HB2 SER 25 HB2 SER 25 2.987 3.003 -8.280 157 HB3 SER 25 HB3 SER 25 2.907 2.025 -6.831 158 HG SER 25 HG SER 25 3.867 0.732 -8.158 159 H ALA 26 H ALA 26 0.890 1.281 -5.493 160 HA ALA 26 HA ALA 26 -0.028 -1.372 -6.053 161 HB1 ALA 26 HB1 ALA 26 1.282 -0.727 -4.029 162 HB2 ALA 26 HB2 ALA 26 -0.105 0.208 -3.442 163 HB3 ALA 26 HB3 ALA 26 -0.226 -1.554 -3.609 164 H PHE 27 H PHE 27 -1.871 1.423 -4.692 165 HA PHE 27 HA PHE 27 -4.268 -0.127 -4.782 166 HB2 PHE 27 HB2 PHE 27 -3.490 1.994 -3.307 167 HB3 PHE 27 HB3 PHE 27 -4.552 2.793 -4.453 168 HD1 PHE 27 HD1 PHE 27 -4.473 -0.416 -2.367 169 HD2 PHE 27 HD2 PHE 27 -6.806 2.960 -3.744 170 HE1 PHE 27 HE1 PHE 27 -6.378 -1.137 -0.968 171 HE2 PHE 27 HE2 PHE 27 -8.694 2.234 -2.284 172 HZ PHE 27 HZ PHE 27 -8.484 0.169 -0.939 173 H SER 28 H SER 28 -2.959 2.244 -7.166 174 HA SER 28 HA SER 28 -5.098 2.030 -9.027 175 HB2 SER 28 HB2 SER 28 -3.226 3.482 -9.469 176 HB3 SER 28 HB3 SER 28 -2.098 2.105 -9.511 177 HG SER 28 HG SER 28 -2.493 2.276 -11.560 178 H CYS 29 H CYS 29 -2.196 -0.160 -8.795 179 HA CYS 29 HA CYS 29 -3.054 -2.001 -10.684 180 HB2 CYS 29 HB2 CYS 29 -0.820 -1.824 -9.533 181 HB3 CYS 29 HB3 CYS 29 -1.482 -2.697 -8.160 182 H PHE 30 H PHE 30 -3.862 -2.045 -7.193 183 HA PHE 30 HA PHE 30 -5.625 -4.280 -7.221 184 HB2 PHE 30 HB2 PHE 30 -4.726 -3.455 -5.175 185 HB3 PHE 30 HB3 PHE 30 -5.345 -1.839 -5.469 186 HD1 PHE 30 HD1 PHE 30 -6.634 -5.359 -4.999 187 HD2 PHE 30 HD2 PHE 30 -7.291 -1.128 -4.403 188 HE1 PHE 30 HE1 PHE 30 -8.675 -5.847 -3.676 189 HE2 PHE 30 HE2 PHE 30 -9.329 -1.630 -3.091 190 HZ PHE 30 HZ PHE 30 -10.034 -3.996 -2.734 191 H HIS 31 H HIS 31 -6.482 -0.788 -7.682 192 HA HIS 31 HA HIS 31 -9.296 -1.273 -7.952 193 HB2 HIS 31 HB2 HIS 31 -7.465 1.050 -8.435 194 HB3 HIS 31 HB3 HIS 31 -8.991 1.039 -9.285 195 HD1 HIS 31 HD1 HIS 31 -11.266 0.701 -7.686 196 HD2 HIS 31 HD2 HIS 31 -7.669 2.032 -5.959 197 HE1 HIS 31 HE1 HIS 31 -11.904 1.944 -5.546 198 H TYR 32 H TYR 32 -6.737 -1.360 -10.404 199 HA TYR 32 HA TYR 32 -8.640 -2.053 -12.519 200 HB2 TYR 32 HB2 TYR 32 -5.624 -1.996 -12.274 201 HB3 TYR 32 HB3 TYR 32 -6.422 -2.720 -13.661 202 HD1 TYR 32 HD1 TYR 32 -5.809 0.527 -11.904 203 HD2 TYR 32 HD2 TYR 32 -7.667 -1.424 -15.283 204 HE1 TYR 32 HE1 TYR 32 -6.092 2.709 -13.011 205 HE2 TYR 32 HE2 TYR 32 -7.930 0.788 -16.394 206 HH TYR 32 HH TYR 32 -6.816 3.822 -14.857 207 H SER 33 H SER 33 -6.753 -3.902 -10.155 208 HA SER 33 HA SER 33 -6.852 -6.425 -11.448 209 HB2 SER 33 HB2 SER 33 -5.358 -5.876 -9.480 210 HB3 SER 33 HB3 SER 33 -6.775 -5.933 -8.437 211 HG SER 33 HG SER 33 -5.855 -8.025 -10.141 212 H THR 34 H THR 34 -8.829 -5.390 -8.674 213 HA THR 34 HA THR 34 -10.880 -5.967 -7.912 214 HB THR 34 HB THR 34 -12.779 -6.150 -9.489 215 HG1 THR 34 HG1 THR 34 -10.817 -6.701 -11.212 216 HG21 THR 34 HG21 THR 34 -11.942 -3.947 -8.714 217 HG22 THR 34 HG22 THR 34 -12.631 -3.886 -10.344 218 HG23 THR 34 HG23 THR 34 -10.870 -3.872 -10.132 219 H GLU 35 H GLU 35 -9.056 -8.079 -7.846 220 HA GLU 35 HA GLU 35 -10.429 -10.483 -8.768 221 HB2 GLU 35 HB2 GLU 35 -7.787 -9.925 -7.406 222 HB3 GLU 35 HB3 GLU 35 -8.375 -11.551 -7.536 223 HG2 GLU 35 HG2 GLU 35 -7.903 -9.634 -9.859 224 HG3 GLU 35 HG3 GLU 35 -6.861 -10.980 -9.402 225 H GLU 36 H GLU 36 -9.167 -9.985 -5.489 226 HA GLU 36 HA GLU 36 -11.722 -10.324 -4.161 227 HB2 GLU 36 HB2 GLU 36 -10.830 -12.775 -5.052 228 HB3 GLU 36 HB3 GLU 36 -10.060 -12.674 -3.477 229 HG2 GLU 36 HG2 GLU 36 -12.115 -13.614 -2.998 230 HG3 GLU 36 HG3 GLU 36 -12.383 -11.940 -2.570 231 H ILE 37 H ILE 37 -8.226 -10.704 -3.978 232 HA ILE 37 HA ILE 37 -8.143 -9.783 -1.116 233 HB ILE 37 HB ILE 37 -6.480 -11.701 -2.749 234 HG12 ILE 37 HG12 ILE 37 -8.449 -12.696 -1.753 235 HG13 ILE 37 HG13 ILE 37 -6.969 -13.351 -1.089 236 HG21 ILE 37 HG21 ILE 37 -4.782 -10.482 -1.575 237 HG22 ILE 37 HG22 ILE 37 -5.659 -10.625 -0.037 238 HG23 ILE 37 HG23 ILE 37 -4.972 -12.057 -0.822 239 HD11 ILE 37 HD11 ILE 37 -8.799 -11.340 0.303 240 HD12 ILE 37 HD12 ILE 37 -8.658 -13.067 0.655 241 HD13 ILE 37 HD13 ILE 37 -7.287 -11.997 0.981 242 H LYS 38 H LYS 38 -6.535 -8.227 -0.482 243 HA LYS 38 HA LYS 38 -5.842 -6.264 -2.420 244 HB2 LYS 38 HB2 LYS 38 -4.451 -6.705 0.237 245 HB3 LYS 38 HB3 LYS 38 -4.444 -5.231 -0.759 246 HG2 LYS 38 HG2 LYS 38 -6.829 -6.442 0.687 247 HG3 LYS 38 HG3 LYS 38 -5.929 -4.994 1.114 248 HD2 LYS 38 HD2 LYS 38 -6.618 -4.037 -1.169 249 HD3 LYS 38 HD3 LYS 38 -7.739 -5.409 -1.299 250 HE2 LYS 38 HE2 LYS 38 -7.613 -3.502 1.030 251 HE3 LYS 38 HE3 LYS 38 -8.705 -3.239 -0.344 252 HZ1 LYS 38 HZ1 LYS 38 -8.785 -5.688 1.338 253 HZ2 LYS 38 HZ2 LYS 38 -9.864 -5.236 0.192 254 HZ3 LYS 38 HZ3 LYS 38 -9.761 -4.398 1.594 255 H GLY 39 H GLY 39 -4.588 -6.809 -4.188 256 HA2 GLY 39 HA2 GLY 39 -2.493 -6.944 -5.169 257 HA3 GLY 39 HA3 GLY 39 -1.772 -7.413 -3.640 258 H SER 40 H SER 40 -4.433 -9.512 -4.446 259 HA SER 40 HA SER 40 -2.818 -11.776 -4.816 260 HB2 SER 40 HB2 SER 40 -4.961 -12.812 -5.764 261 HB3 SER 40 HB3 SER 40 -5.025 -12.085 -4.180 262 HG SER 40 HG SER 40 -6.772 -11.618 -5.584 263 H ASP 41 H ASP 41 -3.609 -9.472 -7.357 264 HA ASP 41 HA ASP 41 -1.630 -11.012 -8.970 265 HB2 ASP 41 HB2 ASP 41 -3.907 -11.115 -9.952 266 HB3 ASP 41 HB3 ASP 41 -3.936 -9.351 -9.994 267 H CYS 42 H CYS 42 -1.387 -8.704 -6.987 268 HA CYS 42 HA CYS 42 0.169 -6.791 -8.659 269 HB2 CYS 42 HB2 CYS 42 -2.293 -6.185 -7.012 270 HB3 CYS 42 HB3 CYS 42 -1.095 -4.935 -7.330 271 H VAL 43 H VAL 43 0.522 -8.775 -6.228 272 HA VAL 43 HA VAL 43 1.140 -7.353 -3.922 273 HB VAL 43 HB VAL 43 0.798 -9.645 -3.772 274 HG11 VAL 43 HG11 VAL 43 3.262 -10.082 -5.485 275 HG12 VAL 43 HG12 VAL 43 2.372 -11.354 -4.613 276 HG13 VAL 43 HG13 VAL 43 1.567 -10.460 -5.899 277 HG21 VAL 43 HG21 VAL 43 2.581 -10.424 -2.367 278 HG22 VAL 43 HG22 VAL 43 3.727 -9.265 -3.056 279 HG23 VAL 43 HG23 VAL 43 2.350 -8.694 -2.084 280 H ASP 44 H ASP 44 3.390 -7.747 -6.692 281 HA ASP 44 HA ASP 44 5.743 -6.975 -5.342 282 HB2 ASP 44 HB2 ASP 44 5.617 -7.860 -7.658 283 HB3 ASP 44 HB3 ASP 44 4.947 -6.314 -8.202 284 H GLN 45 H GLN 45 3.115 -4.873 -6.502 285 HA GLN 45 HA GLN 45 4.492 -2.372 -6.061 286 HB2 GLN 45 HB2 GLN 45 1.558 -3.090 -6.295 287 HB3 GLN 45 HB3 GLN 45 2.189 -1.459 -6.078 288 HG2 GLN 45 HG2 GLN 45 1.745 -1.764 -8.380 289 HG3 GLN 45 HG3 GLN 45 3.467 -1.571 -8.129 290 HE21 GLN 45 HE21 GLN 45 1.401 -4.591 -7.967 291 HE22 GLN 45 HE22 GLN 45 2.330 -5.346 -9.273 292 H PHE 46 H PHE 46 2.246 -4.303 -4.004 293 HA PHE 46 HA PHE 46 2.374 -2.561 -1.704 294 HB2 PHE 46 HB2 PHE 46 1.786 -5.532 -1.974 295 HB3 PHE 46 HB3 PHE 46 1.582 -4.612 -0.499 296 HD1 PHE 46 HD1 PHE 46 0.151 -5.101 -3.918 297 HD2 PHE 46 HD2 PHE 46 -0.181 -3.002 -0.163 298 HE1 PHE 46 HE1 PHE 46 -2.124 -4.329 -4.540 299 HE2 PHE 46 HE2 PHE 46 -2.453 -2.248 -0.777 300 HZ PHE 46 HZ PHE 46 -3.435 -2.912 -2.976 301 H ARG 47 H ARG 47 4.286 -5.432 -2.681 302 HA ARG 47 HA ARG 47 6.082 -5.414 -0.537 303 HB2 ARG 47 HB2 ARG 47 5.867 -7.196 -2.196 304 HB3 ARG 47 HB3 ARG 47 6.613 -6.169 -3.428 305 HG2 ARG 47 HG2 ARG 47 8.732 -6.204 -2.343 306 HG3 ARG 47 HG3 ARG 47 8.039 -6.783 -0.820 307 HD2 ARG 47 HD2 ARG 47 9.274 -8.559 -2.015 308 HD3 ARG 47 HD3 ARG 47 7.579 -8.952 -1.738 309 HE ARG 47 HE ARG 47 8.649 -7.943 -4.354 310 HH11 ARG 47 HH11 ARG 47 6.537 -10.229 -2.601 311 HH12 ARG 47 HH12 ARG 47 5.964 -10.978 -4.074 312 HH21 ARG 47 HH21 ARG 47 7.875 -8.947 -6.220 313 HH22 ARG 47 HH22 ARG 47 6.699 -10.239 -6.115 314 H ALA 48 H ALA 48 6.278 -3.490 -3.600 315 HA ALA 48 HA ALA 48 8.569 -2.049 -2.842 316 HB1 ALA 48 HB1 ALA 48 6.302 -1.123 -4.581 317 HB2 ALA 48 HB2 ALA 48 7.941 -0.420 -4.450 318 HB3 ALA 48 HB3 ALA 48 7.732 -2.076 -5.075 319 H MET 49 H MET 49 5.088 -1.305 -1.992 320 HA MET 49 HA MET 49 5.627 1.015 -0.491 321 HB2 MET 49 HB2 MET 49 3.671 -1.170 0.326 322 HB3 MET 49 HB3 MET 49 3.781 0.438 0.990 323 HG2 MET 49 HG2 MET 49 3.064 1.439 -1.092 324 HG3 MET 49 HG3 MET 49 3.091 -0.130 -1.905 325 HE1 MET 49 HE1 MET 49 1.396 2.127 0.821 326 HE2 MET 49 HE2 MET 49 0.044 1.124 1.389 327 HE3 MET 49 HE3 MET 49 1.707 0.686 1.817 328 H GLN 50 H GLN 50 5.775 -2.388 0.743 329 HA GLN 50 HA GLN 50 6.783 -1.664 3.273 330 HB2 GLN 50 HB2 GLN 50 5.884 -3.939 2.306 331 HB3 GLN 50 HB3 GLN 50 7.575 -4.278 1.951 332 HG2 GLN 50 HG2 GLN 50 6.386 -3.551 4.664 333 HG3 GLN 50 HG3 GLN 50 6.787 -5.183 4.150 334 HE21 GLN 50 HE21 GLN 50 7.805 -3.421 6.433 335 HE22 GLN 50 HE22 GLN 50 9.557 -3.449 6.251 336 H GLU 51 H GLU 51 8.600 -2.706 0.456 337 HA GLU 51 HA GLU 51 11.293 -2.450 1.295 338 HB2 GLU 51 HB2 GLU 51 10.413 -3.599 -0.678 339 HB3 GLU 51 HB3 GLU 51 9.892 -2.084 -1.361 340 HG2 GLU 51 HG2 GLU 51 11.796 -1.568 -2.281 341 HG3 GLU 51 HG3 GLU 51 12.791 -2.129 -0.901 342 H CYS 52 H CYS 52 9.096 0.085 0.143 343 HA CYS 52 HA CYS 52 11.181 2.149 0.328 344 HB2 CYS 52 HB2 CYS 52 9.344 2.209 -1.356 345 HB3 CYS 52 HB3 CYS 52 8.169 2.288 -0.076 346 H MET 53 H MET 53 8.433 1.060 2.371 347 HA MET 53 HA MET 53 8.592 3.425 4.050 348 HB2 MET 53 HB2 MET 53 6.940 0.885 4.212 349 HB3 MET 53 HB3 MET 53 6.849 2.178 5.417 350 HG2 MET 53 HG2 MET 53 6.169 3.805 3.751 351 HG3 MET 53 HG3 MET 53 6.437 2.665 2.449 352 HE1 MET 53 HE1 MET 53 4.046 3.912 5.242 353 HE2 MET 53 HE2 MET 53 2.843 2.624 5.368 354 HE3 MET 53 HE3 MET 53 4.493 2.349 5.967 355 H GLN 54 H GLN 54 9.870 0.199 4.190 356 HA GLN 54 HA GLN 54 10.872 -0.006 6.769 357 HB2 GLN 54 HB2 GLN 54 12.454 -1.547 5.771 358 HB3 GLN 54 HB3 GLN 54 10.906 -1.704 5.023 359 HG2 GLN 54 HG2 GLN 54 12.383 -1.887 3.261 360 HG3 GLN 54 HG3 GLN 54 11.788 -0.237 3.146 361 HE21 GLN 54 HE21 GLN 54 13.613 0.123 1.799 362 HE22 GLN 54 HE22 GLN 54 15.221 0.403 2.497 363 H LYS 55 H LYS 55 12.047 2.211 4.254 364 HA LYS 55 HA LYS 55 14.442 3.141 5.470 365 HB2 LYS 55 HB2 LYS 55 12.293 4.676 3.955 366 HB3 LYS 55 HB3 LYS 55 13.856 5.330 4.369 367 HG2 LYS 55 HG2 LYS 55 13.485 2.866 2.613 368 HG3 LYS 55 HG3 LYS 55 13.600 4.505 1.998 369 HD2 LYS 55 HD2 LYS 55 15.769 3.049 3.563 370 HD3 LYS 55 HD3 LYS 55 15.735 3.319 1.816 371 HE2 LYS 55 HE2 LYS 55 15.773 5.790 2.205 372 HE3 LYS 55 HE3 LYS 55 15.885 5.492 3.951 373 HZ1 LYS 55 HZ1 LYS 55 18.072 5.847 3.073 374 HZ2 LYS 55 HZ2 LYS 55 17.884 4.683 1.921 375 HZ3 LYS 55 HZ3 LYS 55 17.964 4.243 3.477 376 H TYR 56 H TYR 56 11.118 3.757 6.491 377 HA TYR 56 HA TYR 56 12.081 5.807 8.406 378 HB2 TYR 56 HB2 TYR 56 9.982 6.467 6.308 379 HB3 TYR 56 HB3 TYR 56 10.644 7.461 7.580 380 HD1 TYR 56 HD1 TYR 56 13.424 7.305 7.579 381 HD2 TYR 56 HD2 TYR 56 10.803 7.040 4.180 382 HE1 TYR 56 HE1 TYR 56 15.144 8.376 6.184 383 HE2 TYR 56 HE2 TYR 56 12.517 8.129 2.750 384 HH TYR 56 HH TYR 56 14.583 9.155 2.727 385 HA PRO 57 HA PRO 57 8.421 3.941 10.310 386 HB2 PRO 57 HB2 PRO 57 8.978 4.461 12.940 387 HB3 PRO 57 HB3 PRO 57 9.839 3.207 11.999 388 HG2 PRO 57 HG2 PRO 57 10.730 6.030 12.627 389 HG3 PRO 57 HG3 PRO 57 11.702 4.530 12.694 390 HD2 PRO 57 HD2 PRO 57 11.759 6.266 10.580 391 HD3 PRO 57 HD3 PRO 57 12.036 4.505 10.416 392 H ASP 58 H ASP 58 9.356 7.330 10.871 393 HA ASP 58 HA ASP 58 6.566 8.138 11.244 394 HB2 ASP 58 HB2 ASP 58 7.301 6.981 13.291 395 HB3 ASP 58 HB3 ASP 58 8.368 8.362 13.573 396 H LEU 59 H LEU 59 7.538 9.182 9.389 397 HA LEU 59 HA LEU 59 9.332 11.520 9.964 398 HB2 LEU 59 HB2 LEU 59 10.707 9.843 9.333 399 HB3 LEU 59 HB3 LEU 59 9.566 9.059 8.317 400 HG LEU 59 HG LEU 59 11.712 9.865 7.341 401 HD11 LEU 59 HD11 LEU 59 10.849 10.278 5.153 402 HD12 LEU 59 HD12 LEU 59 9.262 10.757 5.786 403 HD13 LEU 59 HD13 LEU 59 9.837 9.080 5.942 404 HD21 LEU 59 HD21 LEU 59 12.109 11.977 6.664 405 HD22 LEU 59 HD22 LEU 59 11.333 12.269 8.245 406 HD23 LEU 59 HD23 LEU 59 10.404 12.452 6.722 407 H TYR 60 H TYR 60 6.419 10.572 8.715 408 HA TYR 60 HA TYR 60 5.991 12.892 6.905 409 HB2 TYR 60 HB2 TYR 60 5.173 11.304 5.123 410 HB3 TYR 60 HB3 TYR 60 6.901 11.396 5.356 411 HD1 TYR 60 HD1 TYR 60 7.887 9.498 7.049 412 HD2 TYR 60 HD2 TYR 60 4.446 9.117 4.537 413 HE1 TYR 60 HE1 TYR 60 8.023 7.110 7.375 414 HE2 TYR 60 HE2 TYR 60 4.779 6.666 4.540 415 HH TYR 60 HH TYR 60 5.805 4.898 5.604 416 H GLU 61 H GLU 61 -10.074 15.851 10.626 417 HA GLU 61 HA GLU 61 -11.906 13.825 9.566 418 HB2 GLU 61 HB2 GLU 61 -11.634 15.894 8.212 419 HB3 GLU 61 HB3 GLU 61 -9.901 15.600 8.129 420 HG2 GLU 61 HG2 GLU 61 -10.832 14.848 6.068 421 HG3 GLU 61 HG3 GLU 61 -10.411 13.392 6.966 422 H HIS 62 H HIS 62 -11.027 12.095 10.826 423 HA HIS 62 HA HIS 62 -8.345 11.159 10.190 424 HB2 HIS 62 HB2 HIS 62 -9.202 10.432 12.241 425 HB3 HIS 62 HB3 HIS 62 -10.760 9.989 11.558 426 HD1 HIS 62 HD1 HIS 62 -11.064 7.511 11.029 427 HD2 HIS 62 HD2 HIS 62 -7.044 8.744 11.134 428 HE1 HIS 62 HE1 HIS 62 -9.646 5.409 10.647 429 H CYS 63 H CYS 63 -11.545 10.640 8.756 430 HA CYS 63 HA CYS 63 -12.171 9.957 6.702 431 HB2 CYS 63 HB2 CYS 63 -9.855 11.258 6.208 432 HB3 CYS 63 HB3 CYS 63 -9.467 9.703 5.522 433 H GLY 64 H GLY 64 -11.879 8.164 8.743 434 HA2 GLY 64 HA2 GLY 64 -10.638 5.673 8.277 435 HA3 GLY 64 HA3 GLY 64 -12.060 5.945 9.273 436 H HIS 65 H HIS 65 -13.448 6.905 6.653 437 HA HIS 65 HA HIS 65 -14.859 4.595 5.975 438 HB2 HIS 65 HB2 HIS 65 -15.525 6.948 5.516 439 HB3 HIS 65 HB3 HIS 65 -14.318 7.033 4.228 440 HD1 HIS 65 HD1 HIS 65 -15.366 6.526 1.900 441 HD2 HIS 65 HD2 HIS 65 -17.360 4.722 5.130 442 HE1 HIS 65 HE1 HIS 65 -17.232 5.120 0.884 443 H LEU 66 H LEU 66 -11.828 5.737 4.336 444 HA LEU 66 HA LEU 66 -11.486 2.854 3.742 445 HB2 LEU 66 HB2 LEU 66 -10.400 3.376 1.583 446 HB3 LEU 66 HB3 LEU 66 -12.123 3.605 1.677 447 HG LEU 66 HG LEU 66 -10.194 5.945 1.846 448 HD11 LEU 66 HD11 LEU 66 -11.591 4.716 -0.579 449 HD12 LEU 66 HD12 LEU 66 -9.837 4.774 -0.288 450 HD13 LEU 66 HD13 LEU 66 -10.732 6.268 -0.574 451 HD21 LEU 66 HD21 LEU 66 -13.165 5.706 1.148 452 HD22 LEU 66 HD22 LEU 66 -12.214 7.179 0.907 453 HD23 LEU 66 HD23 LEU 66 -12.480 6.576 2.532 454 H ILE 67 H ILE 67 -9.702 5.741 4.951 455 HA ILE 67 HA ILE 67 -7.218 4.431 4.691 456 HB ILE 67 HB ILE 67 -7.661 6.897 5.268 457 HG12 ILE 67 HG12 ILE 67 -5.354 5.285 6.451 458 HG13 ILE 67 HG13 ILE 67 -5.469 5.951 4.825 459 HG21 ILE 67 HG21 ILE 67 -7.369 5.839 8.119 460 HG22 ILE 67 HG22 ILE 67 -7.457 7.522 7.605 461 HG23 ILE 67 HG23 ILE 67 -8.858 6.487 7.408 462 HD11 ILE 67 HD11 ILE 67 -4.002 7.351 6.085 463 HD12 ILE 67 HD12 ILE 67 -5.517 8.253 5.883 464 HD13 ILE 67 HD13 ILE 67 -5.140 7.473 7.434 465 H GLU 68 H GLU 68 -9.655 3.859 7.140 466 HA GLU 68 HA GLU 68 -8.068 2.370 8.996 467 HB2 GLU 68 HB2 GLU 68 -10.504 3.237 9.146 468 HB3 GLU 68 HB3 GLU 68 -10.956 1.838 8.180 469 HG2 GLU 68 HG2 GLU 68 -11.384 1.253 10.428 470 HG3 GLU 68 HG3 GLU 68 -9.916 0.380 9.991 471 H ALA 69 H ALA 69 -9.903 1.313 6.117 472 HA ALA 69 HA ALA 69 -8.958 -1.376 6.074 473 HB1 ALA 69 HB1 ALA 69 -9.988 0.363 3.789 474 HB2 ALA 69 HB2 ALA 69 -9.854 -1.404 3.793 475 HB3 ALA 69 HB3 ALA 69 -10.986 -0.607 4.900 476 H HIS 70 H HIS 70 -7.582 1.623 4.584 477 HA HIS 70 HA HIS 70 -5.532 0.302 3.101 478 HB2 HIS 70 HB2 HIS 70 -5.429 3.071 4.353 479 HB3 HIS 70 HB3 HIS 70 -4.403 2.463 3.062 480 HD1 HIS 70 HD1 HIS 70 -7.217 1.142 1.564 481 HD2 HIS 70 HD2 HIS 70 -6.165 5.081 2.661 482 HE1 HIS 70 HE1 HIS 70 -8.527 2.741 0.044 483 H LYS 71 H LYS 71 -5.384 1.766 6.393 484 HA LYS 71 HA LYS 71 -2.731 0.920 6.991 485 HB2 LYS 71 HB2 LYS 71 -5.110 1.626 8.759 486 HB3 LYS 71 HB3 LYS 71 -3.520 1.195 9.415 487 HG2 LYS 71 HG2 LYS 71 -2.444 2.986 8.125 488 HG3 LYS 71 HG3 LYS 71 -3.988 3.466 7.424 489 HD2 LYS 71 HD2 LYS 71 -3.370 3.540 10.408 490 HD3 LYS 71 HD3 LYS 71 -3.141 4.898 9.303 491 HE2 LYS 71 HE2 LYS 71 -5.578 4.785 8.710 492 HE3 LYS 71 HE3 LYS 71 -5.786 3.540 9.956 493 HZ1 LYS 71 HZ1 LYS 71 -4.749 6.281 10.488 494 HZ2 LYS 71 HZ2 LYS 71 -5.054 5.122 11.614 495 HZ3 LYS 71 HZ3 LYS 71 -6.291 5.810 10.790 496 H GLU 72 H GLU 72 -5.839 -0.755 7.811 497 HA GLU 72 HA GLU 72 -4.693 -3.116 8.804 498 HB2 GLU 72 HB2 GLU 72 -7.088 -2.585 8.836 499 HB3 GLU 72 HB3 GLU 72 -7.184 -2.779 7.080 500 HG2 GLU 72 HG2 GLU 72 -6.540 -5.174 7.305 501 HG3 GLU 72 HG3 GLU 72 -6.423 -4.964 9.058 502 H SER 73 H SER 73 -5.305 -2.294 5.374 503 HA SER 73 HA SER 73 -4.554 -4.812 4.248 504 HB2 SER 73 HB2 SER 73 -4.403 -2.043 2.974 505 HB3 SER 73 HB3 SER 73 -4.323 -3.588 2.119 506 HG SER 73 HG SER 73 -6.495 -2.634 3.685 507 H MET 74 H MET 74 -2.624 -1.755 4.513 508 HA MET 74 HA MET 74 -0.311 -3.086 3.485 509 HB2 MET 74 HB2 MET 74 0.802 -1.028 3.576 510 HB3 MET 74 HB3 MET 74 -0.857 -0.754 3.067 511 HG2 MET 74 HG2 MET 74 -0.600 0.987 4.517 512 HG3 MET 74 HG3 MET 74 -1.245 -0.209 5.642 513 HE1 MET 74 HE1 MET 74 0.347 2.541 6.346 514 HE2 MET 74 HE2 MET 74 -0.336 1.461 7.586 515 HE3 MET 74 HE3 MET 74 1.357 1.984 7.695 516 H ARG 75 H ARG 75 -1.289 -2.583 6.912 517 HA ARG 75 HA ARG 75 1.124 -3.770 7.919 518 HB2 ARG 75 HB2 ARG 75 -1.663 -3.387 9.000 519 HB3 ARG 75 HB3 ARG 75 -0.604 -4.547 9.787 520 HG2 ARG 75 HG2 ARG 75 -0.390 -2.437 10.919 521 HG3 ARG 75 HG3 ARG 75 1.131 -2.857 10.130 522 HD2 ARG 75 HD2 ARG 75 0.506 -1.305 8.249 523 HD3 ARG 75 HD3 ARG 75 -0.913 -0.808 9.180 524 HE ARG 75 HE ARG 75 1.950 -0.263 9.741 525 HH11 ARG 75 HH11 ARG 75 -1.437 0.278 10.738 526 HH12 ARG 75 HH12 ARG 75 -1.018 1.640 11.755 527 HH21 ARG 75 HH21 ARG 75 2.435 1.482 11.072 528 HH22 ARG 75 HH22 ARG 75 1.169 2.321 11.942 529 H ALA 76 H ALA 76 -1.990 -5.349 6.917 530 HA ALA 76 HA ALA 76 -1.154 -7.998 7.473 531 HB1 ALA 76 HB1 ALA 76 -2.942 -8.664 5.908 532 HB2 ALA 76 HB2 ALA 76 -3.486 -7.386 7.008 533 HB3 ALA 76 HB3 ALA 76 -3.073 -6.991 5.324 534 H LEU 77 H LEU 77 -0.935 -6.273 4.279 535 HA LEU 77 HA LEU 77 0.700 -8.187 3.019 536 HB2 LEU 77 HB2 LEU 77 0.200 -5.246 2.656 537 HB3 LEU 77 HB3 LEU 77 1.603 -5.922 1.862 538 HG LEU 77 HG LEU 77 -0.413 -5.804 0.429 539 HD11 LEU 77 HD11 LEU 77 0.577 -8.651 0.846 540 HD12 LEU 77 HD12 LEU 77 1.443 -7.384 -0.048 541 HD13 LEU 77 HD13 LEU 77 -0.130 -7.965 -0.624 542 HD21 LEU 77 HD21 LEU 77 -2.195 -7.444 0.618 543 HD22 LEU 77 HD22 LEU 77 -2.163 -6.421 2.056 544 HD23 LEU 77 HD23 LEU 77 -1.524 -8.079 2.120 545 H GLY 78 H GLY 78 1.771 -5.440 5.094 546 HA2 GLY 78 HA2 GLY 78 4.533 -5.870 5.071 547 HA3 GLY 78 HA3 GLY 78 3.606 -5.310 6.471 548 H PHE 79 H PHE 79 2.142 -7.651 7.117 549 HA PHE 79 HA PHE 79 4.170 -9.464 8.146 550 HB2 PHE 79 HB2 PHE 79 1.147 -9.584 8.272 551 HB3 PHE 79 HB3 PHE 79 2.243 -10.658 9.130 552 HD1 PHE 79 HD1 PHE 79 4.252 -9.241 10.433 553 HD2 PHE 79 HD2 PHE 79 0.219 -7.926 9.668 554 HE1 PHE 79 HE1 PHE 79 4.409 -7.658 12.335 555 HE2 PHE 79 HE2 PHE 79 0.379 -6.342 11.571 556 HZ PHE 79 HZ PHE 79 2.474 -6.196 12.903 557 H LYS 80 H LYS 80 2.167 -9.590 5.259 558 HA LYS 80 HA LYS 80 2.923 -12.338 4.626 559 HB2 LYS 80 HB2 LYS 80 1.750 -10.136 2.890 560 HB3 LYS 80 HB3 LYS 80 2.072 -11.774 2.345 561 HG2 LYS 80 HG2 LYS 80 0.514 -12.678 4.057 562 HG3 LYS 80 HG3 LYS 80 0.100 -11.022 4.533 563 HD2 LYS 80 HD2 LYS 80 -0.610 -10.559 2.165 564 HD3 LYS 80 HD3 LYS 80 -0.260 -12.251 1.761 565 HE2 LYS 80 HE2 LYS 80 -1.930 -12.956 3.506 566 HE3 LYS 80 HE3 LYS 80 -2.323 -11.254 3.769 567 HZ1 LYS 80 HZ1 LYS 80 -2.937 -11.132 1.385 568 HZ2 LYS 80 HZ2 LYS 80 -3.874 -12.194 2.221 569 HZ3 LYS 80 HZ3 LYS 80 -2.671 -12.745 1.220 570 H ILE 81 H ILE 81 4.597 -9.244 3.968 571 HA ILE 81 HA ILE 81 6.292 -10.328 1.911 572 HB ILE 81 HB ILE 81 7.001 -8.027 3.758 573 HG12 ILE 81 HG12 ILE 81 5.046 -7.200 2.780 574 HG13 ILE 81 HG13 ILE 81 6.315 -6.559 1.795 575 HG21 ILE 81 HG21 ILE 81 8.929 -8.888 2.504 576 HG22 ILE 81 HG22 ILE 81 8.012 -8.832 0.989 577 HG23 ILE 81 HG23 ILE 81 8.455 -7.335 1.841 578 HD11 ILE 81 HD11 ILE 81 4.504 -8.895 1.048 579 HD12 ILE 81 HD12 ILE 81 4.478 -7.257 0.379 580 HD13 ILE 81 HD13 ILE 81 5.866 -8.313 0.062 Start of MODEL 11 1 H ASN 1 H ASN 1 -9.902 2.545 -16.746 2 HA ASN 1 HA ASN 1 -9.634 4.914 -16.538 3 HB2 ASN 1 HB2 ASN 1 -12.096 5.192 -15.742 4 HB3 ASN 1 HB3 ASN 1 -11.473 4.870 -14.132 5 HD21 ASN 1 HD21 ASN 1 -12.333 7.204 -13.759 6 HD22 ASN 1 HD22 ASN 1 -11.223 8.485 -14.160 7 H GLY 2 H GLY 2 -10.118 2.658 -13.768 8 HA2 GLY 2 HA2 GLY 2 -8.552 1.773 -12.314 9 HA3 GLY 2 HA3 GLY 2 -7.281 2.431 -13.351 10 H ASN 3 H ASN 3 -9.718 4.468 -11.952 11 HA ASN 3 HA ASN 3 -7.590 6.235 -10.933 12 HB2 ASN 3 HB2 ASN 3 -9.430 6.726 -12.646 13 HB3 ASN 3 HB3 ASN 3 -10.540 6.761 -11.242 14 HD21 ASN 3 HD21 ASN 3 -10.599 8.591 -10.043 15 HD22 ASN 3 HD22 ASN 3 -9.547 9.965 -10.449 16 H ILE 4 H ILE 4 -7.777 7.376 -8.993 17 HA ILE 4 HA ILE 4 -9.610 6.311 -6.868 18 HB ILE 4 HB ILE 4 -6.662 7.055 -6.748 19 HG12 ILE 4 HG12 ILE 4 -6.609 4.995 -5.254 20 HG13 ILE 4 HG13 ILE 4 -8.222 4.608 -5.779 21 HG21 ILE 4 HG21 ILE 4 -7.601 8.293 -4.947 22 HG22 ILE 4 HG22 ILE 4 -8.684 6.940 -4.501 23 HG23 ILE 4 HG23 ILE 4 -6.928 6.857 -4.247 24 HD11 ILE 4 HD11 ILE 4 -6.397 3.334 -6.896 25 HD12 ILE 4 HD12 ILE 4 -7.268 4.283 -8.102 26 HD13 ILE 4 HD13 ILE 4 -5.693 4.842 -7.494 27 H ASN 5 H ASN 5 -7.838 9.109 -7.992 28 HA ASN 5 HA ASN 5 -7.839 11.302 -7.546 29 HB2 ASN 5 HB2 ASN 5 -10.366 10.874 -8.219 30 HB3 ASN 5 HB3 ASN 5 -10.675 11.298 -6.536 31 HD21 ASN 5 HD21 ASN 5 -10.913 13.468 -6.153 32 HD22 ASN 5 HD22 ASN 5 -10.021 14.694 -7.081 33 H TRP 6 H TRP 6 -6.521 11.940 -5.984 34 HA TRP 6 HA TRP 6 -6.486 10.245 -3.578 35 HB2 TRP 6 HB2 TRP 6 -4.346 12.066 -4.733 36 HB3 TRP 6 HB3 TRP 6 -4.125 10.888 -3.440 37 HD1 TRP 6 HD1 TRP 6 -3.879 11.222 -7.060 38 HE1 TRP 6 HE1 TRP 6 -3.597 8.945 -8.257 39 HE3 TRP 6 HE3 TRP 6 -4.821 8.198 -3.101 40 HZ2 TRP 6 HZ2 TRP 6 -3.350 6.193 -7.406 41 HZ3 TRP 6 HZ3 TRP 6 -4.471 5.762 -3.290 42 HH2 TRP 6 HH2 TRP 6 -3.791 4.730 -5.436 43 H ASN 7 H ASN 7 -8.266 11.435 -2.625 44 HA ASN 7 HA ASN 7 -7.701 14.181 -1.656 45 HB2 ASN 7 HB2 ASN 7 -9.454 13.331 -4.015 46 HB3 ASN 7 HB3 ASN 7 -9.772 14.779 -3.114 47 HD21 ASN 7 HD21 ASN 7 -7.882 16.337 -2.816 48 HD22 ASN 7 HD22 ASN 7 -6.821 16.498 -4.234 49 H SER 8 H SER 8 -9.402 15.029 -0.399 50 HA SER 8 HA SER 8 -10.819 15.005 1.359 51 HB2 SER 8 HB2 SER 8 -12.883 14.223 0.987 52 HB3 SER 8 HB3 SER 8 -12.271 14.206 -0.642 53 HG SER 8 HG SER 8 -11.660 11.989 -0.296 54 HA PRO 9 HA PRO 9 -9.450 12.264 4.446 55 HB2 PRO 9 HB2 PRO 9 -11.400 11.789 6.258 56 HB3 PRO 9 HB3 PRO 9 -10.879 13.439 5.822 57 HG2 PRO 9 HG2 PRO 9 -13.252 11.896 4.734 58 HG3 PRO 9 HG3 PRO 9 -13.229 13.560 5.393 59 HD2 PRO 9 HD2 PRO 9 -13.061 12.963 2.724 60 HD3 PRO 9 HD3 PRO 9 -12.279 14.411 3.425 61 H CYS 10 H CYS 10 -9.545 10.775 2.321 62 HA CYS 10 HA CYS 10 -10.364 8.011 3.127 63 HB2 CYS 10 HB2 CYS 10 -10.474 9.274 0.387 64 HB3 CYS 10 HB3 CYS 10 -10.831 7.583 0.744 65 H LEU 11 H LEU 11 -8.579 8.455 0.101 66 HA LEU 11 HA LEU 11 -6.313 7.018 1.331 67 HB2 LEU 11 HB2 LEU 11 -6.723 7.716 -1.597 68 HB3 LEU 11 HB3 LEU 11 -5.440 6.741 -0.919 69 HG LEU 11 HG LEU 11 -7.365 5.211 0.010 70 HD11 LEU 11 HD11 LEU 11 -9.253 6.607 -0.638 71 HD12 LEU 11 HD12 LEU 11 -9.261 5.188 -1.696 72 HD13 LEU 11 HD13 LEU 11 -8.614 6.744 -2.280 73 HD21 LEU 11 HD21 LEU 11 -5.744 4.510 -1.820 74 HD22 LEU 11 HD22 LEU 11 -6.912 5.131 -2.985 75 HD23 LEU 11 HD23 LEU 11 -7.353 3.815 -1.895 76 H GLY 12 H GLY 12 -6.930 10.352 0.820 77 HA2 GLY 12 HA2 GLY 12 -4.696 11.303 -0.543 78 HA3 GLY 12 HA3 GLY 12 -5.573 12.214 0.681 79 H GLY 13 H GLY 13 -4.862 11.043 3.053 80 HA2 GLY 13 HA2 GLY 13 -2.098 11.812 3.490 81 HA3 GLY 13 HA3 GLY 13 -3.217 11.126 4.668 82 H MET 14 H MET 14 -3.675 8.689 3.052 83 HA MET 14 HA MET 14 -1.406 6.997 3.634 84 HB2 MET 14 HB2 MET 14 -4.108 6.643 3.069 85 HB3 MET 14 HB3 MET 14 -3.370 6.139 1.585 86 HG2 MET 14 HG2 MET 14 -3.706 4.268 3.109 87 HG3 MET 14 HG3 MET 14 -1.988 4.523 2.780 88 HE1 MET 14 HE1 MET 14 -4.255 6.616 5.375 89 HE2 MET 14 HE2 MET 14 -4.935 4.970 5.423 90 HE3 MET 14 HE3 MET 14 -4.059 5.617 6.825 91 H ALA 15 H ALA 15 -2.569 8.595 0.806 92 HA ALA 15 HA ALA 15 -0.604 7.502 -1.073 93 HB1 ALA 15 HB1 ALA 15 -2.032 8.706 -2.722 94 HB2 ALA 15 HB2 ALA 15 -2.999 7.690 -1.655 95 HB3 ALA 15 HB3 ALA 15 -2.947 9.445 -1.423 96 H SER 16 H SER 16 -0.654 10.266 0.924 97 HA SER 16 HA SER 16 1.407 11.661 -0.725 98 HB2 SER 16 HB2 SER 16 0.076 12.567 1.850 99 HB3 SER 16 HB3 SER 16 1.138 13.525 0.798 100 HG SER 16 HG SER 16 -1.455 12.500 0.289 101 H GLY 17 H GLY 17 3.472 12.158 0.119 102 HA2 GLY 17 HA2 GLY 17 4.995 12.066 2.150 103 HA3 GLY 17 HA3 GLY 17 4.377 10.468 2.435 104 HA PRO 18 HA PRO 18 8.582 10.352 0.123 105 HB2 PRO 18 HB2 PRO 18 8.832 8.346 2.348 106 HB3 PRO 18 HB3 PRO 18 10.066 9.452 1.688 107 HG2 PRO 18 HG2 PRO 18 8.727 9.904 4.023 108 HG3 PRO 18 HG3 PRO 18 9.263 11.255 2.991 109 HD2 PRO 18 HD2 PRO 18 6.552 10.122 3.455 110 HD3 PRO 18 HD3 PRO 18 7.041 11.767 2.948 111 H CYS 19 H CYS 19 6.479 7.813 1.478 112 HA CYS 19 HA CYS 19 6.971 6.110 -0.913 113 HB2 CYS 19 HB2 CYS 19 5.792 5.339 1.758 114 HB3 CYS 19 HB3 CYS 19 6.235 4.250 0.445 115 H GLY 20 H GLY 20 4.951 8.466 -0.447 116 HA2 GLY 20 HA2 GLY 20 2.296 7.489 -0.390 117 HA3 GLY 20 HA3 GLY 20 2.830 9.016 -1.127 118 H GLU 21 H GLU 21 4.350 8.249 -3.160 119 HA GLU 21 HA GLU 21 2.812 7.398 -5.367 120 HB2 GLU 21 HB2 GLU 21 4.919 7.316 -6.454 121 HB3 GLU 21 HB3 GLU 21 4.862 8.675 -5.385 122 HG2 GLU 21 HG2 GLU 21 6.070 6.737 -3.788 123 HG3 GLU 21 HG3 GLU 21 6.616 6.279 -5.385 124 H GLN 22 H GLN 22 4.671 5.317 -3.094 125 HA GLN 22 HA GLN 22 4.234 2.981 -4.678 126 HB2 GLN 22 HB2 GLN 22 4.538 2.806 -1.700 127 HB3 GLN 22 HB3 GLN 22 5.093 1.729 -2.967 128 HG2 GLN 22 HG2 GLN 22 6.249 4.391 -2.147 129 HG3 GLN 22 HG3 GLN 22 6.914 2.822 -1.846 130 HE21 GLN 22 HE21 GLN 22 8.381 4.889 -2.918 131 HE22 GLN 22 HE22 GLN 22 8.678 4.651 -4.635 132 H PHE 23 H PHE 23 2.301 4.516 -2.027 133 HA PHE 23 HA PHE 23 0.173 2.619 -2.154 134 HB2 PHE 23 HB2 PHE 23 0.517 4.757 -0.530 135 HB3 PHE 23 HB3 PHE 23 -0.457 5.526 -1.746 136 HD1 PHE 23 HD1 PHE 23 -0.457 2.218 0.046 137 HD2 PHE 23 HD2 PHE 23 -2.792 5.606 -1.267 138 HE1 PHE 23 HE1 PHE 23 -2.445 1.274 1.180 139 HE2 PHE 23 HE2 PHE 23 -4.723 4.716 0.030 140 HZ PHE 23 HZ PHE 23 -4.598 2.514 1.127 141 H LYS 24 H LYS 24 0.696 5.657 -4.032 142 HA LYS 24 HA LYS 24 -1.598 5.592 -5.631 143 HB2 LYS 24 HB2 LYS 24 1.101 6.247 -6.792 144 HB3 LYS 24 HB3 LYS 24 -0.406 6.838 -7.313 145 HG2 LYS 24 HG2 LYS 24 0.819 7.615 -4.649 146 HG3 LYS 24 HG3 LYS 24 0.942 8.526 -6.162 147 HD2 LYS 24 HD2 LYS 24 -1.627 8.415 -6.133 148 HD3 LYS 24 HD3 LYS 24 -1.507 7.848 -4.519 149 HE2 LYS 24 HE2 LYS 24 -1.930 10.289 -4.602 150 HE3 LYS 24 HE3 LYS 24 -0.360 9.976 -3.860 151 HZ1 LYS 24 HZ1 LYS 24 0.744 10.705 -5.784 152 HZ2 LYS 24 HZ2 LYS 24 -0.443 11.792 -5.552 153 HZ3 LYS 24 HZ3 LYS 24 -0.612 10.644 -6.731 154 H SER 25 H SER 25 1.457 4.079 -6.247 155 HA SER 25 HA SER 25 0.832 2.687 -8.625 156 HB2 SER 25 HB2 SER 25 3.014 3.362 -7.815 157 HB3 SER 25 HB3 SER 25 2.927 2.290 -6.436 158 HG SER 25 HG SER 25 4.164 1.424 -8.009 159 H ALA 26 H ALA 26 0.836 1.482 -5.237 160 HA ALA 26 HA ALA 26 0.018 -1.182 -5.866 161 HB1 ALA 26 HB1 ALA 26 1.174 -0.557 -3.788 162 HB2 ALA 26 HB2 ALA 26 -0.216 0.429 -3.287 163 HB3 ALA 26 HB3 ALA 26 -0.378 -1.329 -3.425 164 H PHE 27 H PHE 27 -2.014 1.509 -4.517 165 HA PHE 27 HA PHE 27 -4.366 -0.066 -4.802 166 HB2 PHE 27 HB2 PHE 27 -3.724 2.298 -3.449 167 HB3 PHE 27 HB3 PHE 27 -4.988 2.755 -4.579 168 HD1 PHE 27 HD1 PHE 27 -4.081 0.196 -1.980 169 HD2 PHE 27 HD2 PHE 27 -7.294 2.193 -4.064 170 HE1 PHE 27 HE1 PHE 27 -5.734 -0.868 -0.468 171 HE2 PHE 27 HE2 PHE 27 -8.933 1.134 -2.540 172 HZ PHE 27 HZ PHE 27 -8.165 -0.399 -0.747 173 H SER 28 H SER 28 -3.027 2.464 -7.052 174 HA SER 28 HA SER 28 -5.152 2.197 -8.914 175 HB2 SER 28 HB2 SER 28 -3.658 2.961 -10.647 176 HB3 SER 28 HB3 SER 28 -3.494 3.942 -9.182 177 HG SER 28 HG SER 28 -1.608 3.093 -8.757 178 H CYS 29 H CYS 29 -2.044 0.240 -8.795 179 HA CYS 29 HA CYS 29 -2.720 -1.483 -10.885 180 HB2 CYS 29 HB2 CYS 29 -0.541 -1.358 -9.742 181 HB3 CYS 29 HB3 CYS 29 -1.191 -2.174 -8.337 182 H PHE 30 H PHE 30 -3.647 -1.870 -7.433 183 HA PHE 30 HA PHE 30 -5.274 -4.164 -7.745 184 HB2 PHE 30 HB2 PHE 30 -4.617 -3.577 -5.586 185 HB3 PHE 30 HB3 PHE 30 -5.091 -1.899 -5.783 186 HD1 PHE 30 HD1 PHE 30 -6.830 -5.251 -5.962 187 HD2 PHE 30 HD2 PHE 30 -6.857 -1.192 -4.499 188 HE1 PHE 30 HE1 PHE 30 -9.075 -5.615 -4.946 189 HE2 PHE 30 HE2 PHE 30 -9.109 -1.554 -3.533 190 HZ PHE 30 HZ PHE 30 -10.239 -3.756 -3.790 191 H HIS 31 H HIS 31 -6.331 -0.706 -8.036 192 HA HIS 31 HA HIS 31 -9.042 -1.333 -8.719 193 HB2 HIS 31 HB2 HIS 31 -7.283 1.105 -9.135 194 HB3 HIS 31 HB3 HIS 31 -8.908 1.028 -9.795 195 HD1 HIS 31 HD1 HIS 31 -9.476 3.137 -8.124 196 HD2 HIS 31 HD2 HIS 31 -8.668 -0.602 -6.365 197 HE1 HIS 31 HE1 HIS 31 -10.414 3.229 -5.767 198 H TYR 32 H TYR 32 -6.170 -1.141 -10.802 199 HA TYR 32 HA TYR 32 -7.570 -1.692 -13.284 200 HB2 TYR 32 HB2 TYR 32 -4.705 -2.013 -12.346 201 HB3 TYR 32 HB3 TYR 32 -5.227 -2.602 -13.896 202 HD1 TYR 32 HD1 TYR 32 -5.777 0.745 -12.122 203 HD2 TYR 32 HD2 TYR 32 -4.354 -1.388 -15.576 204 HE1 TYR 32 HE1 TYR 32 -4.827 2.845 -13.019 205 HE2 TYR 32 HE2 TYR 32 -3.485 0.719 -16.516 206 HH TYR 32 HH TYR 32 -3.093 2.908 -16.171 207 H SER 33 H SER 33 -6.790 -3.705 -10.562 208 HA SER 33 HA SER 33 -6.499 -6.192 -12.093 209 HB2 SER 33 HB2 SER 33 -5.075 -5.617 -10.073 210 HB3 SER 33 HB3 SER 33 -6.510 -5.822 -9.081 211 HG SER 33 HG SER 33 -5.434 -7.799 -10.838 212 H THR 34 H THR 34 -8.604 -5.236 -9.398 213 HA THR 34 HA THR 34 -10.464 -6.170 -8.499 214 HB THR 34 HB THR 34 -12.494 -6.290 -9.887 215 HG1 THR 34 HG1 THR 34 -11.025 -5.120 -11.967 216 HG21 THR 34 HG21 THR 34 -11.940 -4.238 -8.770 217 HG22 THR 34 HG22 THR 34 -12.561 -3.862 -10.388 218 HG23 THR 34 HG23 THR 34 -10.816 -3.765 -10.057 219 H GLU 35 H GLU 35 -8.657 -8.063 -8.653 220 HA GLU 35 HA GLU 35 -9.730 -10.559 -9.679 221 HB2 GLU 35 HB2 GLU 35 -7.396 -9.819 -7.886 222 HB3 GLU 35 HB3 GLU 35 -7.854 -11.494 -8.100 223 HG2 GLU 35 HG2 GLU 35 -7.266 -9.626 -10.442 224 HG3 GLU 35 HG3 GLU 35 -6.038 -10.622 -9.650 225 H GLU 36 H GLU 36 -9.021 -9.779 -6.299 226 HA GLU 36 HA GLU 36 -11.620 -10.491 -5.250 227 HB2 GLU 36 HB2 GLU 36 -10.716 -12.784 -5.935 228 HB3 GLU 36 HB3 GLU 36 -9.392 -12.543 -4.802 229 HG2 GLU 36 HG2 GLU 36 -11.064 -12.331 -2.958 230 HG3 GLU 36 HG3 GLU 36 -12.358 -12.618 -4.128 231 H ILE 37 H ILE 37 -8.143 -10.573 -4.543 232 HA ILE 37 HA ILE 37 -8.588 -9.361 -1.832 233 HB ILE 37 HB ILE 37 -6.638 -11.403 -2.893 234 HG12 ILE 37 HG12 ILE 37 -8.676 -11.318 -0.655 235 HG13 ILE 37 HG13 ILE 37 -8.702 -12.238 -2.166 236 HG21 ILE 37 HG21 ILE 37 -6.271 -10.003 -0.222 237 HG22 ILE 37 HG22 ILE 37 -5.345 -11.384 -0.832 238 HG23 ILE 37 HG23 ILE 37 -5.199 -9.841 -1.638 239 HD11 ILE 37 HD11 ILE 37 -6.723 -13.559 -1.321 240 HD12 ILE 37 HD12 ILE 37 -6.928 -12.740 0.248 241 HD13 ILE 37 HD13 ILE 37 -8.221 -13.763 -0.394 242 H LYS 38 H LYS 38 -7.044 -7.755 -1.057 243 HA LYS 38 HA LYS 38 -6.349 -5.810 -2.972 244 HB2 LYS 38 HB2 LYS 38 -5.081 -6.192 -0.225 245 HB3 LYS 38 HB3 LYS 38 -4.974 -4.746 -1.231 246 HG2 LYS 38 HG2 LYS 38 -7.400 -5.844 0.197 247 HG3 LYS 38 HG3 LYS 38 -6.589 -4.285 0.403 248 HD2 LYS 38 HD2 LYS 38 -7.334 -3.571 -1.836 249 HD3 LYS 38 HD3 LYS 38 -8.136 -5.132 -2.103 250 HE2 LYS 38 HE2 LYS 38 -8.856 -3.231 0.112 251 HE3 LYS 38 HE3 LYS 38 -9.681 -3.304 -1.450 252 HZ1 LYS 38 HZ1 LYS 38 -10.175 -5.679 -0.958 253 HZ2 LYS 38 HZ2 LYS 38 -10.859 -4.650 0.142 254 HZ3 LYS 38 HZ3 LYS 38 -9.543 -5.503 0.543 255 H GLY 39 H GLY 39 -5.128 -6.126 -4.640 256 HA2 GLY 39 HA2 GLY 39 -3.301 -6.460 -5.903 257 HA3 GLY 39 HA3 GLY 39 -2.305 -6.333 -4.433 258 H SER 40 H SER 40 -4.662 -9.026 -4.709 259 HA SER 40 HA SER 40 -2.683 -11.017 -4.608 260 HB2 SER 40 HB2 SER 40 -4.458 -12.579 -5.343 261 HB3 SER 40 HB3 SER 40 -4.988 -11.449 -4.118 262 HG SER 40 HG SER 40 -6.364 -11.929 -6.033 263 H ASP 41 H ASP 41 -3.619 -9.224 -7.463 264 HA ASP 41 HA ASP 41 -1.378 -10.648 -8.804 265 HB2 ASP 41 HB2 ASP 41 -3.657 -11.044 -9.775 266 HB3 ASP 41 HB3 ASP 41 -3.747 -9.330 -10.159 267 H CYS 42 H CYS 42 -1.144 -8.329 -7.046 268 HA CYS 42 HA CYS 42 0.425 -6.523 -8.813 269 HB2 CYS 42 HB2 CYS 42 -1.885 -5.668 -7.052 270 HB3 CYS 42 HB3 CYS 42 -0.639 -4.539 -7.517 271 H VAL 43 H VAL 43 0.668 -8.423 -6.284 272 HA VAL 43 HA VAL 43 1.360 -6.998 -4.041 273 HB VAL 43 HB VAL 43 0.956 -9.283 -3.899 274 HG11 VAL 43 HG11 VAL 43 2.532 -11.021 -4.691 275 HG12 VAL 43 HG12 VAL 43 1.746 -10.132 -5.989 276 HG13 VAL 43 HG13 VAL 43 3.442 -9.764 -5.568 277 HG21 VAL 43 HG21 VAL 43 3.873 -8.945 -3.107 278 HG22 VAL 43 HG22 VAL 43 2.481 -8.348 -2.173 279 HG23 VAL 43 HG23 VAL 43 2.693 -10.083 -2.440 280 H ASP 44 H ASP 44 3.636 -7.410 -6.787 281 HA ASP 44 HA ASP 44 5.960 -6.597 -5.438 282 HB2 ASP 44 HB2 ASP 44 5.800 -7.529 -7.768 283 HB3 ASP 44 HB3 ASP 44 5.275 -5.938 -8.313 284 H GLN 45 H GLN 45 3.275 -4.569 -6.458 285 HA GLN 45 HA GLN 45 4.656 -2.036 -6.044 286 HB2 GLN 45 HB2 GLN 45 1.759 -2.766 -6.512 287 HB3 GLN 45 HB3 GLN 45 2.334 -1.125 -6.220 288 HG2 GLN 45 HG2 GLN 45 2.121 -1.447 -8.578 289 HG3 GLN 45 HG3 GLN 45 3.803 -1.207 -8.165 290 HE21 GLN 45 HE21 GLN 45 1.458 -3.893 -8.836 291 HE22 GLN 45 HE22 GLN 45 2.649 -4.845 -9.692 292 H PHE 46 H PHE 46 2.247 -3.916 -4.117 293 HA PHE 46 HA PHE 46 2.298 -2.251 -1.779 294 HB2 PHE 46 HB2 PHE 46 1.838 -5.248 -2.066 295 HB3 PHE 46 HB3 PHE 46 1.521 -4.323 -0.615 296 HD1 PHE 46 HD1 PHE 46 0.407 -4.677 -4.191 297 HD2 PHE 46 HD2 PHE 46 -0.554 -3.193 -0.255 298 HE1 PHE 46 HE1 PHE 46 -1.864 -4.008 -4.979 299 HE2 PHE 46 HE2 PHE 46 -2.819 -2.586 -1.038 300 HZ PHE 46 HZ PHE 46 -3.469 -2.972 -3.405 301 H ARG 47 H ARG 47 4.245 -5.036 -2.730 302 HA ARG 47 HA ARG 47 6.127 -5.048 -0.658 303 HB2 ARG 47 HB2 ARG 47 5.851 -6.849 -2.254 304 HB3 ARG 47 HB3 ARG 47 6.491 -5.832 -3.554 305 HG2 ARG 47 HG2 ARG 47 8.690 -5.855 -2.673 306 HG3 ARG 47 HG3 ARG 47 8.141 -6.399 -1.080 307 HD2 ARG 47 HD2 ARG 47 9.249 -8.215 -2.307 308 HD3 ARG 47 HD3 ARG 47 7.564 -8.589 -1.942 309 HE ARG 47 HE ARG 47 8.502 -7.604 -4.617 310 HH11 ARG 47 HH11 ARG 47 6.519 -9.914 -2.745 311 HH12 ARG 47 HH12 ARG 47 5.897 -10.690 -4.184 312 HH21 ARG 47 HH21 ARG 47 7.671 -8.653 -6.435 313 HH22 ARG 47 HH22 ARG 47 6.549 -9.984 -6.259 314 H ALA 48 H ALA 48 6.277 -3.088 -3.741 315 HA ALA 48 HA ALA 48 8.594 -1.694 -2.992 316 HB1 ALA 48 HB1 ALA 48 7.611 -1.533 -5.176 317 HB2 ALA 48 HB2 ALA 48 6.252 -0.582 -4.502 318 HB3 ALA 48 HB3 ALA 48 7.918 0.056 -4.412 319 H MET 49 H MET 49 5.144 -0.955 -1.942 320 HA MET 49 HA MET 49 5.911 1.266 -0.412 321 HB2 MET 49 HB2 MET 49 3.523 0.471 -0.899 322 HB3 MET 49 HB3 MET 49 3.677 -0.569 0.532 323 HG2 MET 49 HG2 MET 49 4.202 1.367 1.927 324 HG3 MET 49 HG3 MET 49 4.246 2.424 0.517 325 HE1 MET 49 HE1 MET 49 2.668 3.439 2.909 326 HE2 MET 49 HE2 MET 49 2.676 4.235 1.317 327 HE3 MET 49 HE3 MET 49 1.137 3.933 2.152 328 H GLN 50 H GLN 50 5.731 -2.131 0.820 329 HA GLN 50 HA GLN 50 6.959 -1.651 3.294 330 HB2 GLN 50 HB2 GLN 50 6.058 -3.786 2.933 331 HB3 GLN 50 HB3 GLN 50 6.916 -4.004 1.414 332 HG2 GLN 50 HG2 GLN 50 7.839 -5.480 3.062 333 HG3 GLN 50 HG3 GLN 50 9.042 -4.327 2.568 334 HE21 GLN 50 HE21 GLN 50 9.889 -5.444 4.634 335 HE22 GLN 50 HE22 GLN 50 9.595 -4.567 6.143 336 H GLU 51 H GLU 51 8.651 -2.461 0.287 337 HA GLU 51 HA GLU 51 11.359 -2.302 1.101 338 HB2 GLU 51 HB2 GLU 51 10.619 -3.241 -0.993 339 HB3 GLU 51 HB3 GLU 51 9.898 -1.740 -1.490 340 HG2 GLU 51 HG2 GLU 51 11.746 -0.766 -2.230 341 HG3 GLU 51 HG3 GLU 51 12.842 -1.636 -1.116 342 H CYS 52 H CYS 52 9.197 0.324 0.119 343 HA CYS 52 HA CYS 52 11.245 2.383 0.319 344 HB2 CYS 52 HB2 CYS 52 9.314 2.542 -1.189 345 HB3 CYS 52 HB3 CYS 52 8.207 2.466 0.153 346 H MET 53 H MET 53 8.691 1.109 2.549 347 HA MET 53 HA MET 53 9.038 3.321 4.340 348 HB2 MET 53 HB2 MET 53 7.549 0.681 4.558 349 HB3 MET 53 HB3 MET 53 7.615 1.830 5.899 350 HG2 MET 53 HG2 MET 53 6.590 3.580 4.518 351 HG3 MET 53 HG3 MET 53 6.579 2.507 3.126 352 HE1 MET 53 HE1 MET 53 3.779 2.255 6.806 353 HE2 MET 53 HE2 MET 53 5.533 2.067 6.996 354 HE3 MET 53 HE3 MET 53 4.859 3.606 6.410 355 H GLN 54 H GLN 54 10.286 0.130 4.148 356 HA GLN 54 HA GLN 54 11.614 -0.057 6.656 357 HB2 GLN 54 HB2 GLN 54 12.458 -2.104 5.716 358 HB3 GLN 54 HB3 GLN 54 10.815 -1.888 5.235 359 HG2 GLN 54 HG2 GLN 54 11.649 -2.593 3.287 360 HG3 GLN 54 HG3 GLN 54 11.898 -0.869 3.072 361 HE21 GLN 54 HE21 GLN 54 13.588 -0.895 1.706 362 HE22 GLN 54 HE22 GLN 54 15.138 -1.659 2.037 363 H LYS 55 H LYS 55 12.585 1.706 3.807 364 HA LYS 55 HA LYS 55 15.408 1.923 4.582 365 HB2 LYS 55 HB2 LYS 55 13.773 3.542 2.593 366 HB3 LYS 55 HB3 LYS 55 15.522 3.659 2.834 367 HG2 LYS 55 HG2 LYS 55 15.721 1.199 2.286 368 HG3 LYS 55 HG3 LYS 55 13.994 1.202 1.962 369 HD2 LYS 55 HD2 LYS 55 14.918 1.331 -0.156 370 HD3 LYS 55 HD3 LYS 55 14.468 3.011 0.176 371 HE2 LYS 55 HE2 LYS 55 16.805 3.528 0.793 372 HE3 LYS 55 HE3 LYS 55 17.248 1.820 0.639 373 HZ1 LYS 55 HZ1 LYS 55 16.344 3.555 -1.591 374 HZ2 LYS 55 HZ2 LYS 55 16.698 1.960 -1.737 375 HZ3 LYS 55 HZ3 LYS 55 17.882 3.033 -1.331 376 H TYR 56 H TYR 56 12.544 3.646 5.600 377 HA TYR 56 HA TYR 56 14.319 5.828 6.607 378 HB2 TYR 56 HB2 TYR 56 11.457 6.368 6.030 379 HB3 TYR 56 HB3 TYR 56 12.830 7.391 6.288 380 HD1 TYR 56 HD1 TYR 56 14.991 6.441 4.705 381 HD2 TYR 56 HD2 TYR 56 10.790 6.538 3.720 382 HE1 TYR 56 HE1 TYR 56 15.559 6.779 2.326 383 HE2 TYR 56 HE2 TYR 56 11.362 6.939 1.318 384 HH TYR 56 HH TYR 56 14.746 7.130 0.176 385 HA PRO 57 HA PRO 57 12.495 4.850 10.654 386 HB2 PRO 57 HB2 PRO 57 14.395 6.115 12.168 387 HB3 PRO 57 HB3 PRO 57 14.595 4.476 11.487 388 HG2 PRO 57 HG2 PRO 57 15.669 7.079 10.388 389 HG3 PRO 57 HG3 PRO 57 16.521 5.516 10.529 390 HD2 PRO 57 HD2 PRO 57 15.441 6.305 8.211 391 HD3 PRO 57 HD3 PRO 57 15.467 4.602 8.683 392 H ASP 58 H ASP 58 13.014 8.012 8.977 393 HA ASP 58 HA ASP 58 11.525 9.477 11.022 394 HB2 ASP 58 HB2 ASP 58 14.423 8.954 11.201 395 HB3 ASP 58 HB3 ASP 58 14.016 10.651 11.465 396 H LEU 59 H LEU 59 12.748 9.290 8.001 397 HA LEU 59 HA LEU 59 13.635 11.929 7.448 398 HB2 LEU 59 HB2 LEU 59 14.365 10.932 5.589 399 HB3 LEU 59 HB3 LEU 59 13.903 9.499 6.341 400 HG LEU 59 HG LEU 59 13.218 9.119 4.293 401 HD11 LEU 59 HD11 LEU 59 10.599 10.353 5.173 402 HD12 LEU 59 HD12 LEU 59 11.259 8.890 5.911 403 HD13 LEU 59 HD13 LEU 59 10.880 8.927 4.185 404 HD21 LEU 59 HD21 LEU 59 13.608 11.387 3.429 405 HD22 LEU 59 HD22 LEU 59 11.914 11.780 3.849 406 HD23 LEU 59 HD23 LEU 59 12.264 10.495 2.691 407 H TYR 60 H TYR 60 10.691 11.146 8.208 408 HA TYR 60 HA TYR 60 8.981 12.112 6.065 409 HB2 TYR 60 HB2 TYR 60 8.448 11.023 8.844 410 HB3 TYR 60 HB3 TYR 60 7.195 11.379 7.681 411 HD1 TYR 60 HD1 TYR 60 10.047 9.019 8.461 412 HD2 TYR 60 HD2 TYR 60 6.797 9.968 5.776 413 HE1 TYR 60 HE1 TYR 60 10.174 6.820 7.640 414 HE2 TYR 60 HE2 TYR 60 6.973 7.720 4.793 415 HH TYR 60 HH TYR 60 8.025 5.729 4.878 416 H GLU 61 H GLU 61 -16.627 13.540 -1.559 417 HA GLU 61 HA GLU 61 -15.691 12.627 -4.214 418 HB2 GLU 61 HB2 GLU 61 -14.015 13.861 -2.837 419 HB3 GLU 61 HB3 GLU 61 -14.264 12.713 -1.538 420 HG2 GLU 61 HG2 GLU 61 -12.229 12.137 -2.698 421 HG3 GLU 61 HG3 GLU 61 -13.420 10.875 -3.025 422 H HIS 62 H HIS 62 -16.239 10.594 -4.667 423 HA HIS 62 HA HIS 62 -17.897 9.058 -2.895 424 HB2 HIS 62 HB2 HIS 62 -18.185 9.221 -5.348 425 HB3 HIS 62 HB3 HIS 62 -16.706 8.297 -5.588 426 HD1 HIS 62 HD1 HIS 62 -20.198 7.815 -3.970 427 HD2 HIS 62 HD2 HIS 62 -17.023 5.671 -5.699 428 HE1 HIS 62 HE1 HIS 62 -20.997 5.393 -4.170 429 H CYS 63 H CYS 63 -16.511 8.749 -1.115 430 HA CYS 63 HA CYS 63 -15.414 6.063 -0.953 431 HB2 CYS 63 HB2 CYS 63 -13.136 6.742 -0.236 432 HB3 CYS 63 HB3 CYS 63 -13.458 7.195 -1.900 433 H GLY 64 H GLY 64 -14.886 5.480 1.334 434 HA2 GLY 64 HA2 GLY 64 -14.959 7.404 3.464 435 HA3 GLY 64 HA3 GLY 64 -16.510 6.579 3.362 436 H HIS 65 H HIS 65 -16.643 4.446 4.003 437 HA HIS 65 HA HIS 65 -15.093 3.544 6.122 438 HB2 HIS 65 HB2 HIS 65 -16.331 1.468 5.962 439 HB3 HIS 65 HB3 HIS 65 -17.390 2.833 5.636 440 HD1 HIS 65 HD1 HIS 65 -18.751 2.671 3.393 441 HD2 HIS 65 HD2 HIS 65 -15.498 0.012 3.682 442 HE1 HIS 65 HE1 HIS 65 -18.821 1.226 1.294 443 H LEU 66 H LEU 66 -14.249 3.034 2.767 444 HA LEU 66 HA LEU 66 -12.606 0.795 2.991 445 HB2 LEU 66 HB2 LEU 66 -11.535 1.514 0.924 446 HB3 LEU 66 HB3 LEU 66 -13.277 1.670 0.896 447 HG LEU 66 HG LEU 66 -12.893 4.208 1.374 448 HD11 LEU 66 HD11 LEU 66 -10.822 5.144 0.508 449 HD12 LEU 66 HD12 LEU 66 -10.164 3.536 0.184 450 HD13 LEU 66 HD13 LEU 66 -10.410 4.092 1.852 451 HD21 LEU 66 HD21 LEU 66 -12.531 4.616 -1.061 452 HD22 LEU 66 HD22 LEU 66 -13.689 3.313 -0.774 453 HD23 LEU 66 HD23 LEU 66 -12.034 2.925 -1.257 454 H ILE 67 H ILE 67 -11.799 3.986 4.311 455 HA ILE 67 HA ILE 67 -8.989 3.580 4.201 456 HB ILE 67 HB ILE 67 -10.088 5.776 4.438 457 HG12 ILE 67 HG12 ILE 67 -7.874 5.022 6.387 458 HG13 ILE 67 HG13 ILE 67 -7.723 5.535 4.713 459 HG21 ILE 67 HG21 ILE 67 -10.355 5.185 7.414 460 HG22 ILE 67 HG22 ILE 67 -10.845 6.644 6.540 461 HG23 ILE 67 HG23 ILE 67 -11.718 5.140 6.266 462 HD11 ILE 67 HD11 ILE 67 -8.466 7.207 7.125 463 HD12 ILE 67 HD12 ILE 67 -7.079 7.366 6.025 464 HD13 ILE 67 HD13 ILE 67 -8.714 7.784 5.461 465 H GLU 68 H GLU 68 -11.236 2.852 6.921 466 HA GLU 68 HA GLU 68 -9.149 1.782 8.600 467 HB2 GLU 68 HB2 GLU 68 -12.171 1.435 8.590 468 HB3 GLU 68 HB3 GLU 68 -11.103 0.693 9.792 469 HG2 GLU 68 HG2 GLU 68 -10.239 2.897 10.456 470 HG3 GLU 68 HG3 GLU 68 -11.262 3.678 9.249 471 H ALA 69 H ALA 69 -11.297 0.261 6.185 472 HA ALA 69 HA ALA 69 -10.426 -2.404 6.561 473 HB1 ALA 69 HB1 ALA 69 -12.436 -1.752 5.286 474 HB2 ALA 69 HB2 ALA 69 -11.414 -1.041 4.016 475 HB3 ALA 69 HB3 ALA 69 -11.368 -2.787 4.322 476 H HIS 70 H HIS 70 -9.213 -0.061 4.046 477 HA HIS 70 HA HIS 70 -7.093 -1.781 3.354 478 HB2 HIS 70 HB2 HIS 70 -6.253 -0.177 1.904 479 HB3 HIS 70 HB3 HIS 70 -8.001 -0.188 1.803 480 HD1 HIS 70 HD1 HIS 70 -5.520 2.063 3.882 481 HD2 HIS 70 HD2 HIS 70 -8.638 2.154 1.074 482 HE1 HIS 70 HE1 HIS 70 -5.944 4.536 3.280 483 H LYS 71 H LYS 71 -7.070 0.816 5.840 484 HA LYS 71 HA LYS 71 -4.321 0.506 6.437 485 HB2 LYS 71 HB2 LYS 71 -5.795 2.283 7.322 486 HB3 LYS 71 HB3 LYS 71 -6.600 1.097 8.354 487 HG2 LYS 71 HG2 LYS 71 -5.011 2.370 9.644 488 HG3 LYS 71 HG3 LYS 71 -4.457 0.698 9.541 489 HD2 LYS 71 HD2 LYS 71 -2.749 1.306 7.902 490 HD3 LYS 71 HD3 LYS 71 -3.396 2.961 7.778 491 HE2 LYS 71 HE2 LYS 71 -2.856 3.378 10.146 492 HE3 LYS 71 HE3 LYS 71 -2.316 1.705 10.337 493 HZ1 LYS 71 HZ1 LYS 71 -0.533 2.148 8.758 494 HZ2 LYS 71 HZ2 LYS 71 -0.448 3.145 10.040 495 HZ3 LYS 71 HZ3 LYS 71 -0.983 3.760 8.635 496 H GLU 72 H GLU 72 -7.096 -1.475 7.766 497 HA GLU 72 HA GLU 72 -5.312 -3.190 9.194 498 HB2 GLU 72 HB2 GLU 72 -8.174 -3.084 8.659 499 HB3 GLU 72 HB3 GLU 72 -7.602 -4.727 8.492 500 HG2 GLU 72 HG2 GLU 72 -7.126 -2.947 10.917 501 HG3 GLU 72 HG3 GLU 72 -8.363 -4.197 10.792 502 H SER 73 H SER 73 -6.440 -3.501 5.768 503 HA SER 73 HA SER 73 -5.072 -6.022 5.492 504 HB2 SER 73 HB2 SER 73 -5.537 -5.890 3.132 505 HB3 SER 73 HB3 SER 73 -6.961 -5.557 4.125 506 HG SER 73 HG SER 73 -7.104 -3.912 2.836 507 H MET 74 H MET 74 -3.930 -2.678 4.566 508 HA MET 74 HA MET 74 -1.363 -3.686 3.846 509 HB2 MET 74 HB2 MET 74 -0.603 -1.478 3.665 510 HB3 MET 74 HB3 MET 74 -2.305 -1.462 3.198 511 HG2 MET 74 HG2 MET 74 -2.778 -0.799 5.651 512 HG3 MET 74 HG3 MET 74 -1.061 -0.458 5.785 513 HE1 MET 74 HE1 MET 74 -0.245 0.899 3.044 514 HE2 MET 74 HE2 MET 74 -0.580 2.604 3.409 515 HE3 MET 74 HE3 MET 74 0.155 1.563 4.647 516 H ARG 75 H ARG 75 -2.617 -2.903 7.089 517 HA ARG 75 HA ARG 75 -0.176 -3.371 8.482 518 HB2 ARG 75 HB2 ARG 75 -2.239 -2.383 9.415 519 HB3 ARG 75 HB3 ARG 75 -3.020 -3.954 9.396 520 HG2 ARG 75 HG2 ARG 75 -0.548 -3.173 11.009 521 HG3 ARG 75 HG3 ARG 75 -2.198 -3.204 11.613 522 HD2 ARG 75 HD2 ARG 75 -0.483 -5.583 10.857 523 HD3 ARG 75 HD3 ARG 75 -1.102 -5.141 12.442 524 HE ARG 75 HE ARG 75 -3.369 -5.445 10.878 525 HH11 ARG 75 HH11 ARG 75 -0.655 -7.567 11.794 526 HH12 ARG 75 HH12 ARG 75 -1.615 -9.024 11.668 527 HH21 ARG 75 HH21 ARG 75 -4.576 -7.355 10.726 528 HH22 ARG 75 HH22 ARG 75 -3.836 -8.903 11.069 529 H ALA 76 H ALA 76 -2.809 -5.732 7.663 530 HA ALA 76 HA ALA 76 -1.455 -8.028 8.582 531 HB1 ALA 76 HB1 ALA 76 -3.038 -9.263 7.147 532 HB2 ALA 76 HB2 ALA 76 -3.846 -7.959 8.038 533 HB3 ALA 76 HB3 ALA 76 -3.469 -7.758 6.310 534 H LEU 77 H LEU 77 -1.374 -6.656 5.226 535 HA LEU 77 HA LEU 77 0.546 -8.438 4.182 536 HB2 LEU 77 HB2 LEU 77 -0.806 -6.851 2.886 537 HB3 LEU 77 HB3 LEU 77 0.072 -5.491 3.557 538 HG LEU 77 HG LEU 77 0.605 -6.150 1.198 539 HD11 LEU 77 HD11 LEU 77 3.083 -6.244 2.941 540 HD12 LEU 77 HD12 LEU 77 2.166 -4.764 2.572 541 HD13 LEU 77 HD13 LEU 77 2.935 -5.692 1.274 542 HD21 LEU 77 HD21 LEU 77 2.128 -8.482 2.422 543 HD22 LEU 77 HD22 LEU 77 2.096 -8.000 0.718 544 HD23 LEU 77 HD23 LEU 77 0.624 -8.611 1.486 545 H GLY 78 H GLY 78 1.144 -5.288 5.843 546 HA2 GLY 78 HA2 GLY 78 3.962 -5.330 5.809 547 HA3 GLY 78 HA3 GLY 78 2.959 -4.526 7.024 548 H PHE 79 H PHE 79 1.778 -7.001 8.033 549 HA PHE 79 HA PHE 79 3.839 -7.998 9.827 550 HB2 PHE 79 HB2 PHE 79 1.552 -7.557 10.527 551 HB3 PHE 79 HB3 PHE 79 0.920 -8.680 9.341 552 HD1 PHE 79 HD1 PHE 79 3.606 -8.933 11.999 553 HD2 PHE 79 HD2 PHE 79 -0.107 -10.460 10.416 554 HE1 PHE 79 HE1 PHE 79 3.526 -10.624 13.799 555 HE2 PHE 79 HE2 PHE 79 -0.198 -12.132 12.250 556 HZ PHE 79 HZ PHE 79 1.623 -12.218 13.946 557 H LYS 80 H LYS 80 2.099 -9.410 7.045 558 HA LYS 80 HA LYS 80 3.406 -12.023 7.295 559 HB2 LYS 80 HB2 LYS 80 1.522 -10.808 5.234 560 HB3 LYS 80 HB3 LYS 80 2.202 -12.434 5.106 561 HG2 LYS 80 HG2 LYS 80 1.245 -12.979 7.373 562 HG3 LYS 80 HG3 LYS 80 0.463 -11.405 7.393 563 HD2 LYS 80 HD2 LYS 80 -1.108 -13.153 6.709 564 HD3 LYS 80 HD3 LYS 80 -0.873 -11.978 5.418 565 HE2 LYS 80 HE2 LYS 80 -0.978 -14.323 4.604 566 HE3 LYS 80 HE3 LYS 80 0.534 -13.516 4.169 567 HZ1 LYS 80 HZ1 LYS 80 0.847 -15.812 5.070 568 HZ2 LYS 80 HZ2 LYS 80 0.251 -15.314 6.515 569 HZ3 LYS 80 HZ3 LYS 80 1.658 -14.706 5.935 570 H ILE 81 H ILE 81 4.189 -9.149 5.455 571 HA ILE 81 HA ILE 81 5.770 -10.548 3.512 572 HB ILE 81 HB ILE 81 4.565 -8.414 3.179 573 HG12 ILE 81 HG12 ILE 81 7.481 -8.292 2.332 574 HG13 ILE 81 HG13 ILE 81 6.305 -9.424 1.655 575 HG21 ILE 81 HG21 ILE 81 6.990 -7.124 4.509 576 HG22 ILE 81 HG22 ILE 81 5.585 -6.296 3.790 577 HG23 ILE 81 HG23 ILE 81 5.390 -7.264 5.251 578 HD11 ILE 81 HD11 ILE 81 6.126 -6.394 1.503 579 HD12 ILE 81 HD12 ILE 81 6.435 -7.543 0.187 580 HD13 ILE 81 HD13 ILE 81 4.852 -7.517 0.969 Start of MODEL 12 1 H ASN 1 H ASN 1 -12.177 4.414 -15.460 2 HA ASN 1 HA ASN 1 -11.117 6.478 -16.083 3 HB2 ASN 1 HB2 ASN 1 -12.510 7.724 -14.238 4 HB3 ASN 1 HB3 ASN 1 -11.162 7.319 -13.179 5 HD21 ASN 1 HD21 ASN 1 -8.828 7.836 -14.658 6 HD22 ASN 1 HD22 ASN 1 -8.882 9.503 -15.161 7 H GLY 2 H GLY 2 -10.769 4.149 -13.426 8 HA2 GLY 2 HA2 GLY 2 -8.896 3.024 -12.655 9 HA3 GLY 2 HA3 GLY 2 -7.953 3.717 -13.979 10 H ASN 3 H ASN 3 -9.689 5.723 -11.649 11 HA ASN 3 HA ASN 3 -7.117 6.602 -10.422 12 HB2 ASN 3 HB2 ASN 3 -9.009 8.183 -12.164 13 HB3 ASN 3 HB3 ASN 3 -8.137 9.009 -10.882 14 HD21 ASN 3 HD21 ASN 3 -5.827 8.848 -10.819 15 HD22 ASN 3 HD22 ASN 3 -4.942 8.403 -12.267 16 H ILE 4 H ILE 4 -7.475 8.403 -8.840 17 HA ILE 4 HA ILE 4 -9.192 7.140 -6.727 18 HB ILE 4 HB ILE 4 -6.223 7.683 -6.922 19 HG12 ILE 4 HG12 ILE 4 -6.041 5.610 -5.562 20 HG13 ILE 4 HG13 ILE 4 -7.759 5.389 -5.589 21 HG21 ILE 4 HG21 ILE 4 -6.657 8.941 -4.955 22 HG22 ILE 4 HG22 ILE 4 -7.778 7.698 -4.309 23 HG23 ILE 4 HG23 ILE 4 -6.043 7.408 -4.453 24 HD11 ILE 4 HD11 ILE 4 -5.833 5.476 -7.990 25 HD12 ILE 4 HD12 ILE 4 -6.406 3.992 -7.212 26 HD13 ILE 4 HD13 ILE 4 -7.563 5.012 -8.082 27 H ASN 5 H ASN 5 -7.496 10.079 -7.608 28 HA ASN 5 HA ASN 5 -7.580 12.224 -6.891 29 HB2 ASN 5 HB2 ASN 5 -10.070 11.904 -7.129 30 HB3 ASN 5 HB3 ASN 5 -10.137 11.633 -5.388 31 HD21 ASN 5 HD21 ASN 5 -9.461 13.285 -3.916 32 HD22 ASN 5 HD22 ASN 5 -9.439 14.951 -4.475 33 H TRP 6 H TRP 6 -5.656 11.601 -5.911 34 HA TRP 6 HA TRP 6 -5.303 10.487 -3.307 35 HB2 TRP 6 HB2 TRP 6 -3.327 12.294 -4.725 36 HB3 TRP 6 HB3 TRP 6 -2.997 10.970 -3.608 37 HD1 TRP 6 HD1 TRP 6 -2.960 11.731 -7.090 38 HE1 TRP 6 HE1 TRP 6 -2.962 9.634 -8.614 39 HE3 TRP 6 HE3 TRP 6 -3.740 8.279 -3.514 40 HZ2 TRP 6 HZ2 TRP 6 -3.065 6.767 -8.194 41 HZ3 TRP 6 HZ3 TRP 6 -3.683 5.874 -4.053 42 HH2 TRP 6 HH2 TRP 6 -3.471 5.093 -6.403 43 H ASN 7 H ASN 7 -5.839 13.765 -4.307 44 HA ASN 7 HA ASN 7 -4.934 15.312 -2.096 45 HB2 ASN 7 HB2 ASN 7 -5.607 16.120 -4.325 46 HB3 ASN 7 HB3 ASN 7 -7.282 15.667 -3.995 47 HD21 ASN 7 HD21 ASN 7 -4.588 17.663 -2.615 48 HD22 ASN 7 HD22 ASN 7 -5.648 18.946 -2.118 49 H SER 8 H SER 8 -7.668 13.113 -2.209 50 HA SER 8 HA SER 8 -9.170 14.253 -0.025 51 HB2 SER 8 HB2 SER 8 -9.184 11.470 -1.217 52 HB3 SER 8 HB3 SER 8 -10.367 12.098 -0.046 53 HG SER 8 HG SER 8 -10.990 12.269 -2.304 54 HA PRO 9 HA PRO 9 -6.272 13.150 3.167 55 HB2 PRO 9 HB2 PRO 9 -8.694 13.147 4.977 56 HB3 PRO 9 HB3 PRO 9 -7.086 13.894 5.244 57 HG2 PRO 9 HG2 PRO 9 -9.163 15.413 4.417 58 HG3 PRO 9 HG3 PRO 9 -7.545 15.631 3.675 59 HD2 PRO 9 HD2 PRO 9 -9.938 14.151 2.575 60 HD3 PRO 9 HD3 PRO 9 -8.760 15.215 1.750 61 H CYS 10 H CYS 10 -9.085 11.059 2.821 62 HA CYS 10 HA CYS 10 -8.356 8.816 4.295 63 HB2 CYS 10 HB2 CYS 10 -9.478 7.550 2.418 64 HB3 CYS 10 HB3 CYS 10 -10.406 8.864 3.137 65 H LEU 11 H LEU 11 -7.170 9.515 0.943 66 HA LEU 11 HA LEU 11 -4.896 7.639 1.420 67 HB2 LEU 11 HB2 LEU 11 -6.101 8.770 -1.124 68 HB3 LEU 11 HB3 LEU 11 -4.497 8.047 -1.067 69 HG LEU 11 HG LEU 11 -5.551 5.937 -0.115 70 HD11 LEU 11 HD11 LEU 11 -7.684 6.734 0.625 71 HD12 LEU 11 HD12 LEU 11 -7.911 5.613 -0.720 72 HD13 LEU 11 HD13 LEU 11 -8.045 7.373 -1.016 73 HD21 LEU 11 HD21 LEU 11 -5.999 4.984 -2.093 74 HD22 LEU 11 HD22 LEU 11 -5.009 6.375 -2.565 75 HD23 LEU 11 HD23 LEU 11 -6.786 6.404 -2.755 76 H GLY 12 H GLY 12 -5.485 11.011 1.490 77 HA2 GLY 12 HA2 GLY 12 -3.186 12.059 0.230 78 HA3 GLY 12 HA3 GLY 12 -4.152 12.879 1.450 79 H GLY 13 H GLY 13 -3.338 10.639 3.432 80 HA2 GLY 13 HA2 GLY 13 -0.731 11.767 4.259 81 HA3 GLY 13 HA3 GLY 13 -1.773 10.682 5.177 82 H MET 14 H MET 14 -1.886 8.824 2.753 83 HA MET 14 HA MET 14 0.691 7.402 3.256 84 HB2 MET 14 HB2 MET 14 -1.854 6.536 3.619 85 HB3 MET 14 HB3 MET 14 -1.628 6.053 1.952 86 HG2 MET 14 HG2 MET 14 -1.066 4.293 3.494 87 HG3 MET 14 HG3 MET 14 0.397 4.818 2.630 88 HE1 MET 14 HE1 MET 14 1.689 3.498 6.109 89 HE2 MET 14 HE2 MET 14 0.222 2.899 5.303 90 HE3 MET 14 HE3 MET 14 1.675 3.257 4.348 91 H ALA 15 H ALA 15 -1.450 8.302 0.591 92 HA ALA 15 HA ALA 15 0.466 7.787 -1.488 93 HB1 ALA 15 HB1 ALA 15 -1.990 9.591 -1.669 94 HB2 ALA 15 HB2 ALA 15 -1.168 8.746 -2.986 95 HB3 ALA 15 HB3 ALA 15 -2.059 7.823 -1.765 96 H SER 16 H SER 16 0.445 10.296 0.804 97 HA SER 16 HA SER 16 2.519 11.751 -0.796 98 HB2 SER 16 HB2 SER 16 1.295 12.543 1.870 99 HB3 SER 16 HB3 SER 16 2.467 13.467 0.913 100 HG SER 16 HG SER 16 -0.244 13.002 0.463 101 H GLY 17 H GLY 17 4.632 12.006 0.025 102 HA2 GLY 17 HA2 GLY 17 5.988 11.616 2.272 103 HA3 GLY 17 HA3 GLY 17 5.476 9.978 2.058 104 HA PRO 18 HA PRO 18 9.787 10.127 0.029 105 HB2 PRO 18 HB2 PRO 18 10.222 7.703 1.355 106 HB3 PRO 18 HB3 PRO 18 10.750 9.335 1.825 107 HG2 PRO 18 HG2 PRO 18 8.226 7.911 2.788 108 HG3 PRO 18 HG3 PRO 18 9.522 8.672 3.768 109 HD2 PRO 18 HD2 PRO 18 7.374 10.078 3.242 110 HD3 PRO 18 HD3 PRO 18 8.916 10.863 2.906 111 H CYS 19 H CYS 19 6.988 7.994 0.436 112 HA CYS 19 HA CYS 19 7.866 6.331 -1.900 113 HB2 CYS 19 HB2 CYS 19 6.472 5.424 0.615 114 HB3 CYS 19 HB3 CYS 19 6.993 4.389 -0.704 115 H GLY 20 H GLY 20 5.948 8.650 -1.582 116 HA2 GLY 20 HA2 GLY 20 3.253 8.144 -1.673 117 HA3 GLY 20 HA3 GLY 20 4.041 9.285 -2.766 118 H GLU 21 H GLU 21 5.318 7.859 -4.595 119 HA GLU 21 HA GLU 21 3.223 6.825 -6.230 120 HB2 GLU 21 HB2 GLU 21 6.252 6.904 -6.547 121 HB3 GLU 21 HB3 GLU 21 5.169 6.169 -7.751 122 HG2 GLU 21 HG2 GLU 21 3.784 8.186 -7.698 123 HG3 GLU 21 HG3 GLU 21 4.981 9.010 -6.679 124 H GLN 22 H GLN 22 5.338 4.951 -4.059 125 HA GLN 22 HA GLN 22 4.543 2.496 -5.279 126 HB2 GLN 22 HB2 GLN 22 5.113 2.761 -2.326 127 HB3 GLN 22 HB3 GLN 22 5.404 1.409 -3.425 128 HG2 GLN 22 HG2 GLN 22 6.936 3.960 -3.016 129 HG3 GLN 22 HG3 GLN 22 7.467 2.315 -2.842 130 HE21 GLN 22 HE21 GLN 22 7.857 4.959 -4.573 131 HE22 GLN 22 HE22 GLN 22 8.298 4.307 -6.160 132 H PHE 23 H PHE 23 3.054 4.538 -2.711 133 HA PHE 23 HA PHE 23 0.768 2.863 -2.367 134 HB2 PHE 23 HB2 PHE 23 1.548 4.942 -0.963 135 HB3 PHE 23 HB3 PHE 23 0.600 5.852 -2.129 136 HD1 PHE 23 HD1 PHE 23 -1.960 5.457 -2.288 137 HD2 PHE 23 HD2 PHE 23 0.522 3.617 0.734 138 HE1 PHE 23 HE1 PHE 23 -3.951 4.665 -1.102 139 HE2 PHE 23 HE2 PHE 23 -1.496 2.806 1.889 140 HZ PHE 23 HZ PHE 23 -3.754 3.299 0.947 141 H LYS 24 H LYS 24 1.304 5.637 -4.606 142 HA LYS 24 HA LYS 24 -1.227 5.704 -5.782 143 HB2 LYS 24 HB2 LYS 24 1.292 6.075 -7.424 144 HB3 LYS 24 HB3 LYS 24 -0.251 6.732 -7.736 145 HG2 LYS 24 HG2 LYS 24 1.390 7.592 -5.337 146 HG3 LYS 24 HG3 LYS 24 1.419 8.379 -6.917 147 HD2 LYS 24 HD2 LYS 24 -0.956 8.773 -6.762 148 HD3 LYS 24 HD3 LYS 24 -1.061 7.953 -5.215 149 HE2 LYS 24 HE2 LYS 24 -1.071 10.343 -4.838 150 HE3 LYS 24 HE3 LYS 24 0.486 9.727 -4.265 151 HZ1 LYS 24 HZ1 LYS 24 0.237 10.757 -7.011 152 HZ2 LYS 24 HZ2 LYS 24 1.571 10.727 -6.025 153 HZ3 LYS 24 HZ3 LYS 24 0.360 11.812 -5.771 154 H SER 25 H SER 25 1.566 3.928 -6.810 155 HA SER 25 HA SER 25 0.381 2.539 -8.996 156 HB2 SER 25 HB2 SER 25 2.680 3.230 -8.769 157 HB3 SER 25 HB3 SER 25 2.959 2.169 -7.421 158 HG SER 25 HG SER 25 3.618 1.466 -9.579 159 H ALA 26 H ALA 26 0.953 1.452 -5.578 160 HA ALA 26 HA ALA 26 -0.102 -1.173 -5.956 161 HB1 ALA 26 HB1 ALA 26 -0.373 -1.166 -3.500 162 HB2 ALA 26 HB2 ALA 26 1.203 -0.506 -3.967 163 HB3 ALA 26 HB3 ALA 26 -0.100 0.588 -3.467 164 H PHE 27 H PHE 27 -1.858 1.755 -4.729 165 HA PHE 27 HA PHE 27 -4.296 0.262 -4.647 166 HB2 PHE 27 HB2 PHE 27 -3.484 2.372 -3.296 167 HB3 PHE 27 HB3 PHE 27 -4.280 3.265 -4.586 168 HD1 PHE 27 HD1 PHE 27 -4.813 0.409 -2.174 169 HD2 PHE 27 HD2 PHE 27 -6.635 3.649 -4.356 170 HE1 PHE 27 HE1 PHE 27 -6.978 -0.035 -1.036 171 HE2 PHE 27 HE2 PHE 27 -8.775 3.244 -3.174 172 HZ PHE 27 HZ PHE 27 -8.961 1.371 -1.539 173 H SER 28 H SER 28 -3.026 2.551 -7.103 174 HA SER 28 HA SER 28 -5.176 2.379 -8.911 175 HB2 SER 28 HB2 SER 28 -3.331 3.860 -9.308 176 HB3 SER 28 HB3 SER 28 -2.198 2.510 -9.545 177 HG SER 28 HG SER 28 -3.160 2.070 -11.472 178 H CYS 29 H CYS 29 -2.218 0.173 -8.820 179 HA CYS 29 HA CYS 29 -3.170 -1.603 -10.739 180 HB2 CYS 29 HB2 CYS 29 -0.875 -1.504 -9.795 181 HB3 CYS 29 HB3 CYS 29 -1.418 -2.324 -8.355 182 H PHE 30 H PHE 30 -3.854 -1.850 -7.164 183 HA PHE 30 HA PHE 30 -5.642 -3.996 -7.310 184 HB2 PHE 30 HB2 PHE 30 -5.025 -3.214 -5.170 185 HB3 PHE 30 HB3 PHE 30 -5.519 -1.568 -5.531 186 HD1 PHE 30 HD1 PHE 30 -7.421 -4.821 -5.910 187 HD2 PHE 30 HD2 PHE 30 -7.131 -0.988 -3.962 188 HE1 PHE 30 HE1 PHE 30 -9.650 -5.180 -4.868 189 HE2 PHE 30 HE2 PHE 30 -9.378 -1.338 -2.952 190 HZ PHE 30 HZ PHE 30 -10.640 -3.427 -3.420 191 H HIS 31 H HIS 31 -6.594 -0.521 -7.826 192 HA HIS 31 HA HIS 31 -9.260 -1.213 -8.602 193 HB2 HIS 31 HB2 HIS 31 -7.595 1.294 -8.919 194 HB3 HIS 31 HB3 HIS 31 -9.232 1.170 -9.575 195 HD1 HIS 31 HD1 HIS 31 -7.494 0.792 -6.150 196 HD2 HIS 31 HD2 HIS 31 -11.274 1.304 -7.911 197 HE1 HIS 31 HE1 HIS 31 -9.205 0.861 -4.235 198 H TYR 32 H TYR 32 -6.375 -1.250 -10.597 199 HA TYR 32 HA TYR 32 -7.938 -1.912 -12.998 200 HB2 TYR 32 HB2 TYR 32 -4.990 -1.820 -12.340 201 HB3 TYR 32 HB3 TYR 32 -5.578 -2.522 -13.831 202 HD1 TYR 32 HD1 TYR 32 -5.590 0.750 -11.908 203 HD2 TYR 32 HD2 TYR 32 -6.079 -1.219 -15.720 204 HE1 TYR 32 HE1 TYR 32 -5.484 2.911 -13.027 205 HE2 TYR 32 HE2 TYR 32 -5.993 0.990 -16.848 206 HH TYR 32 HH TYR 32 -5.908 3.293 -16.543 207 H SER 33 H SER 33 -7.382 -3.664 -10.247 208 HA SER 33 HA SER 33 -7.188 -6.329 -11.608 209 HB2 SER 33 HB2 SER 33 -5.398 -5.711 -9.966 210 HB3 SER 33 HB3 SER 33 -6.621 -5.636 -8.703 211 HG SER 33 HG SER 33 -5.886 -7.869 -10.301 212 H THR 34 H THR 34 -8.636 -5.170 -8.577 213 HA THR 34 HA THR 34 -10.683 -5.334 -7.607 214 HB THR 34 HB THR 34 -12.729 -5.255 -8.902 215 HG1 THR 34 HG1 THR 34 -11.005 -6.145 -10.896 216 HG21 THR 34 HG21 THR 34 -11.364 -3.185 -8.650 217 HG22 THR 34 HG22 THR 34 -12.336 -3.217 -10.129 218 HG23 THR 34 HG23 THR 34 -10.592 -3.527 -10.217 219 H GLU 35 H GLU 35 -9.140 -7.873 -8.089 220 HA GLU 35 HA GLU 35 -10.858 -9.970 -8.930 221 HB2 GLU 35 HB2 GLU 35 -8.323 -9.884 -7.279 222 HB3 GLU 35 HB3 GLU 35 -9.026 -11.403 -7.734 223 HG2 GLU 35 HG2 GLU 35 -8.155 -9.181 -9.663 224 HG3 GLU 35 HG3 GLU 35 -7.135 -10.525 -9.187 225 H GLU 36 H GLU 36 -9.720 -9.595 -5.617 226 HA GLU 36 HA GLU 36 -12.272 -10.065 -4.305 227 HB2 GLU 36 HB2 GLU 36 -11.785 -12.412 -5.079 228 HB3 GLU 36 HB3 GLU 36 -10.228 -12.337 -4.277 229 HG2 GLU 36 HG2 GLU 36 -11.499 -11.948 -2.078 230 HG3 GLU 36 HG3 GLU 36 -12.974 -12.292 -2.976 231 H ILE 37 H ILE 37 -8.812 -10.596 -4.066 232 HA ILE 37 HA ILE 37 -8.623 -9.373 -1.355 233 HB ILE 37 HB ILE 37 -6.903 -11.254 -2.964 234 HG12 ILE 37 HG12 ILE 37 -8.154 -11.365 -0.198 235 HG13 ILE 37 HG13 ILE 37 -8.721 -12.159 -1.670 236 HG21 ILE 37 HG21 ILE 37 -5.099 -11.213 -1.354 237 HG22 ILE 37 HG22 ILE 37 -5.270 -9.614 -2.041 238 HG23 ILE 37 HG23 ILE 37 -5.895 -9.951 -0.411 239 HD11 ILE 37 HD11 ILE 37 -6.209 -12.818 -0.092 240 HD12 ILE 37 HD12 ILE 37 -7.645 -13.823 -0.334 241 HD13 ILE 37 HD13 ILE 37 -6.563 -13.487 -1.703 242 H LYS 38 H LYS 38 -7.120 -7.719 -0.909 243 HA LYS 38 HA LYS 38 -7.225 -5.577 -2.712 244 HB2 LYS 38 HB2 LYS 38 -5.392 -6.013 -0.318 245 HB3 LYS 38 HB3 LYS 38 -5.507 -4.484 -1.185 246 HG2 LYS 38 HG2 LYS 38 -7.731 -5.825 0.390 247 HG3 LYS 38 HG3 LYS 38 -6.800 -4.369 0.804 248 HD2 LYS 38 HD2 LYS 38 -7.730 -3.205 -1.175 249 HD3 LYS 38 HD3 LYS 38 -8.692 -4.625 -1.599 250 HE2 LYS 38 HE2 LYS 38 -8.917 -3.103 0.995 251 HE3 LYS 38 HE3 LYS 38 -9.945 -2.809 -0.412 252 HZ1 LYS 38 HZ1 LYS 38 -10.592 -5.226 -0.238 253 HZ2 LYS 38 HZ2 LYS 38 -11.147 -4.248 0.964 254 HZ3 LYS 38 HZ3 LYS 38 -9.893 -5.262 1.256 255 H GLY 39 H GLY 39 -6.487 -6.058 -4.702 256 HA2 GLY 39 HA2 GLY 39 -5.046 -6.419 -6.455 257 HA3 GLY 39 HA3 GLY 39 -3.870 -5.506 -5.494 258 H SER 40 H SER 40 -5.285 -8.897 -5.038 259 HA SER 40 HA SER 40 -2.868 -9.968 -4.115 260 HB2 SER 40 HB2 SER 40 -5.106 -11.099 -4.069 261 HB3 SER 40 HB3 SER 40 -4.905 -11.489 -5.787 262 HG SER 40 HG SER 40 -4.106 -13.225 -4.701 263 H ASP 41 H ASP 41 -3.917 -9.612 -7.455 264 HA ASP 41 HA ASP 41 -1.602 -10.855 -8.705 265 HB2 ASP 41 HB2 ASP 41 -3.927 -10.728 -9.614 266 HB3 ASP 41 HB3 ASP 41 -3.747 -8.979 -9.764 267 H CYS 42 H CYS 42 -1.919 -7.978 -7.145 268 HA CYS 42 HA CYS 42 0.136 -6.420 -8.684 269 HB2 CYS 42 HB2 CYS 42 -2.215 -5.563 -6.975 270 HB3 CYS 42 HB3 CYS 42 -0.986 -4.453 -7.544 271 H VAL 43 H VAL 43 0.141 -8.375 -6.140 272 HA VAL 43 HA VAL 43 0.839 -6.964 -3.856 273 HB VAL 43 HB VAL 43 0.283 -9.312 -3.895 274 HG11 VAL 43 HG11 VAL 43 1.589 -9.999 -5.879 275 HG12 VAL 43 HG12 VAL 43 3.091 -9.798 -4.950 276 HG13 VAL 43 HG13 VAL 43 1.904 -11.030 -4.476 277 HG21 VAL 43 HG21 VAL 43 1.436 -8.375 -1.920 278 HG22 VAL 43 HG22 VAL 43 1.790 -10.091 -2.159 279 HG23 VAL 43 HG23 VAL 43 3.007 -8.875 -2.583 280 H ASP 44 H ASP 44 3.039 -7.569 -6.605 281 HA ASP 44 HA ASP 44 5.434 -6.923 -5.231 282 HB2 ASP 44 HB2 ASP 44 5.129 -7.980 -7.515 283 HB3 ASP 44 HB3 ASP 44 4.805 -6.362 -8.148 284 H GLN 45 H GLN 45 2.922 -4.735 -6.504 285 HA GLN 45 HA GLN 45 4.406 -2.294 -5.957 286 HB2 GLN 45 HB2 GLN 45 1.484 -2.856 -6.476 287 HB3 GLN 45 HB3 GLN 45 2.120 -1.272 -6.029 288 HG2 GLN 45 HG2 GLN 45 1.856 -1.442 -8.420 289 HG3 GLN 45 HG3 GLN 45 3.507 -1.115 -7.949 290 HE21 GLN 45 HE21 GLN 45 1.333 -3.817 -8.944 291 HE22 GLN 45 HE22 GLN 45 2.598 -4.706 -9.767 292 H PHE 46 H PHE 46 1.934 -4.163 -4.038 293 HA PHE 46 HA PHE 46 1.984 -2.380 -1.782 294 HB2 PHE 46 HB2 PHE 46 1.392 -5.349 -2.008 295 HB3 PHE 46 HB3 PHE 46 1.204 -4.431 -0.529 296 HD1 PHE 46 HD1 PHE 46 -0.146 -4.671 -4.026 297 HD2 PHE 46 HD2 PHE 46 -0.758 -3.197 -0.013 298 HE1 PHE 46 HE1 PHE 46 -2.409 -3.840 -4.651 299 HE2 PHE 46 HE2 PHE 46 -2.987 -2.391 -0.632 300 HZ PHE 46 HZ PHE 46 -3.825 -2.696 -2.967 301 H ARG 47 H ARG 47 3.925 -5.327 -2.513 302 HA ARG 47 HA ARG 47 5.562 -5.085 -0.248 303 HB2 ARG 47 HB2 ARG 47 5.360 -7.107 -1.664 304 HB3 ARG 47 HB3 ARG 47 6.385 -6.331 -2.892 305 HG2 ARG 47 HG2 ARG 47 8.241 -6.173 -1.315 306 HG3 ARG 47 HG3 ARG 47 7.200 -6.654 0.036 307 HD2 ARG 47 HD2 ARG 47 6.910 -8.891 -0.985 308 HD3 ARG 47 HD3 ARG 47 8.019 -8.423 -2.296 309 HE ARG 47 HE ARG 47 9.413 -7.864 0.023 310 HH11 ARG 47 HH11 ARG 47 7.932 -10.835 -1.283 311 HH12 ARG 47 HH12 ARG 47 9.079 -11.880 -0.473 312 HH21 ARG 47 HH21 ARG 47 10.856 -9.251 1.062 313 HH22 ARG 47 HH22 ARG 47 10.726 -10.984 0.861 314 H ALA 48 H ALA 48 6.045 -3.602 -3.516 315 HA ALA 48 HA ALA 48 8.407 -2.187 -2.909 316 HB1 ALA 48 HB1 ALA 48 6.073 -1.311 -4.633 317 HB2 ALA 48 HB2 ALA 48 7.701 -0.608 -4.639 318 HB3 ALA 48 HB3 ALA 48 7.470 -2.293 -5.123 319 H MET 49 H MET 49 5.000 -1.234 -2.177 320 HA MET 49 HA MET 49 5.559 1.236 -0.941 321 HB2 MET 49 HB2 MET 49 3.275 0.251 -1.533 322 HB3 MET 49 HB3 MET 49 3.416 -0.728 -0.071 323 HG2 MET 49 HG2 MET 49 3.841 1.597 1.091 324 HG3 MET 49 HG3 MET 49 3.007 2.225 -0.329 325 HE1 MET 49 HE1 MET 49 0.480 1.256 -1.028 326 HE2 MET 49 HE2 MET 49 0.951 -0.440 -0.778 327 HE3 MET 49 HE3 MET 49 -0.480 0.218 0.042 328 H GLN 50 H GLN 50 5.336 -1.976 0.694 329 HA GLN 50 HA GLN 50 6.280 -1.002 3.165 330 HB2 GLN 50 HB2 GLN 50 5.126 -3.206 2.542 331 HB3 GLN 50 HB3 GLN 50 6.717 -3.835 2.133 332 HG2 GLN 50 HG2 GLN 50 5.920 -2.631 4.830 333 HG3 GLN 50 HG3 GLN 50 5.858 -4.349 4.474 334 HE21 GLN 50 HE21 GLN 50 7.459 -2.829 6.508 335 HE22 GLN 50 HE22 GLN 50 9.114 -3.355 6.191 336 H GLU 51 H GLU 51 8.123 -2.399 0.527 337 HA GLU 51 HA GLU 51 10.788 -2.455 1.587 338 HB2 GLU 51 HB2 GLU 51 9.940 -3.619 -0.480 339 HB3 GLU 51 HB3 GLU 51 9.561 -2.067 -1.181 340 HG2 GLU 51 HG2 GLU 51 11.316 -2.517 -2.417 341 HG3 GLU 51 HG3 GLU 51 12.155 -1.664 -1.168 342 H CYS 52 H CYS 52 9.049 0.180 -0.096 343 HA CYS 52 HA CYS 52 11.338 1.965 0.170 344 HB2 CYS 52 HB2 CYS 52 9.857 2.108 -1.749 345 HB3 CYS 52 HB3 CYS 52 8.480 2.443 -0.785 346 H MET 53 H MET 53 8.279 1.423 2.047 347 HA MET 53 HA MET 53 8.614 3.944 3.411 348 HB2 MET 53 HB2 MET 53 6.688 1.629 3.780 349 HB3 MET 53 HB3 MET 53 6.731 2.985 4.910 350 HG2 MET 53 HG2 MET 53 6.339 4.587 3.116 351 HG3 MET 53 HG3 MET 53 6.301 3.283 1.922 352 HE1 MET 53 HE1 MET 53 4.018 5.587 2.465 353 HE2 MET 53 HE2 MET 53 4.043 4.434 1.109 354 HE3 MET 53 HE3 MET 53 2.589 4.597 2.118 355 H GLN 54 H GLN 54 9.533 0.695 4.100 356 HA GLN 54 HA GLN 54 10.451 0.854 6.726 357 HB2 GLN 54 HB2 GLN 54 11.670 -1.135 6.087 358 HB3 GLN 54 HB3 GLN 54 10.197 -1.094 5.224 359 HG2 GLN 54 HG2 GLN 54 11.713 -1.807 3.644 360 HG3 GLN 54 HG3 GLN 54 11.520 -0.087 3.298 361 HE21 GLN 54 HE21 GLN 54 13.488 -0.012 2.216 362 HE22 GLN 54 HE22 GLN 54 15.037 -0.087 3.091 363 H LYS 55 H LYS 55 11.788 2.563 3.990 364 HA LYS 55 HA LYS 55 14.338 3.274 5.068 365 HB2 LYS 55 HB2 LYS 55 12.691 4.714 3.059 366 HB3 LYS 55 HB3 LYS 55 14.373 5.068 3.470 367 HG2 LYS 55 HG2 LYS 55 15.002 2.699 2.883 368 HG3 LYS 55 HG3 LYS 55 13.350 2.435 2.318 369 HD2 LYS 55 HD2 LYS 55 15.422 4.326 1.150 370 HD3 LYS 55 HD3 LYS 55 14.706 2.881 0.405 371 HE2 LYS 55 HE2 LYS 55 12.455 4.011 0.589 372 HE3 LYS 55 HE3 LYS 55 13.288 5.454 1.164 373 HZ1 LYS 55 HZ1 LYS 55 12.896 5.605 -1.231 374 HZ2 LYS 55 HZ2 LYS 55 13.703 4.190 -1.509 375 HZ3 LYS 55 HZ3 LYS 55 14.493 5.537 -0.972 376 H TYR 56 H TYR 56 11.211 4.529 5.900 377 HA TYR 56 HA TYR 56 12.459 6.697 7.560 378 HB2 TYR 56 HB2 TYR 56 10.285 7.159 5.507 379 HB3 TYR 56 HB3 TYR 56 10.835 8.263 6.747 380 HD1 TYR 56 HD1 TYR 56 13.187 9.036 6.864 381 HD2 TYR 56 HD2 TYR 56 11.735 6.792 3.499 382 HE1 TYR 56 HE1 TYR 56 14.965 10.000 5.476 383 HE2 TYR 56 HE2 TYR 56 13.349 7.995 2.003 384 HH TYR 56 HH TYR 56 15.071 9.525 1.913 385 HA PRO 57 HA PRO 57 9.386 4.671 10.070 386 HB2 PRO 57 HB2 PRO 57 9.944 5.736 12.531 387 HB3 PRO 57 HB3 PRO 57 10.991 4.548 11.696 388 HG2 PRO 57 HG2 PRO 57 11.290 7.560 11.768 389 HG3 PRO 57 HG3 PRO 57 12.550 6.325 12.036 390 HD2 PRO 57 HD2 PRO 57 12.175 7.603 9.646 391 HD3 PRO 57 HD3 PRO 57 12.718 5.903 9.724 392 H ASP 58 H ASP 58 9.572 8.288 10.452 393 HA ASP 58 HA ASP 58 6.648 8.447 10.619 394 HB2 ASP 58 HB2 ASP 58 7.436 7.560 12.767 395 HB3 ASP 58 HB3 ASP 58 8.289 9.085 12.995 396 H LEU 59 H LEU 59 7.710 9.555 8.763 397 HA LEU 59 HA LEU 59 8.930 12.236 9.334 398 HB2 LEU 59 HB2 LEU 59 10.520 10.654 8.855 399 HB3 LEU 59 HB3 LEU 59 9.586 9.816 7.675 400 HG LEU 59 HG LEU 59 11.689 10.889 6.978 401 HD11 LEU 59 HD11 LEU 59 10.949 11.507 4.769 402 HD12 LEU 59 HD12 LEU 59 9.273 11.665 5.335 403 HD13 LEU 59 HD13 LEU 59 10.103 10.077 5.362 404 HD21 LEU 59 HD21 LEU 59 11.897 13.120 6.442 405 HD22 LEU 59 HD22 LEU 59 11.212 13.104 8.090 406 HD23 LEU 59 HD23 LEU 59 10.179 13.444 6.672 407 H TYR 60 H TYR 60 6.240 10.817 7.975 408 HA TYR 60 HA TYR 60 5.679 13.032 6.048 409 HB2 TYR 60 HB2 TYR 60 4.857 11.180 4.451 410 HB3 TYR 60 HB3 TYR 60 6.554 11.550 4.600 411 HD1 TYR 60 HD1 TYR 60 7.981 10.054 6.173 412 HD2 TYR 60 HD2 TYR 60 4.229 8.863 4.473 413 HE1 TYR 60 HE1 TYR 60 8.457 7.809 6.886 414 HE2 TYR 60 HE2 TYR 60 4.859 6.495 4.866 415 HH TYR 60 HH TYR 60 7.846 5.568 6.662 416 H GLU 61 H GLU 61 -18.993 15.356 2.245 417 HA GLU 61 HA GLU 61 -17.785 13.901 0.780 418 HB2 GLU 61 HB2 GLU 61 -15.484 14.495 0.095 419 HB3 GLU 61 HB3 GLU 61 -16.754 15.428 -0.691 420 HG2 GLU 61 HG2 GLU 61 -16.273 17.373 0.739 421 HG3 GLU 61 HG3 GLU 61 -15.078 16.444 1.640 422 H HIS 62 H HIS 62 -16.973 12.303 1.832 423 HA HIS 62 HA HIS 62 -15.134 12.635 4.163 424 HB2 HIS 62 HB2 HIS 62 -17.738 11.054 4.118 425 HB3 HIS 62 HB3 HIS 62 -16.481 10.804 5.325 426 HD1 HIS 62 HD1 HIS 62 -15.710 13.509 6.364 427 HD2 HIS 62 HD2 HIS 62 -19.627 12.380 5.351 428 HE1 HIS 62 HE1 HIS 62 -17.267 15.103 7.634 429 H CYS 63 H CYS 63 -15.762 10.957 1.306 430 HA CYS 63 HA CYS 63 -14.546 9.466 0.104 431 HB2 CYS 63 HB2 CYS 63 -12.660 10.785 0.960 432 HB3 CYS 63 HB3 CYS 63 -12.494 9.673 2.314 433 H GLY 64 H GLY 64 -15.283 8.454 3.370 434 HA2 GLY 64 HA2 GLY 64 -16.491 6.467 3.845 435 HA3 GLY 64 HA3 GLY 64 -15.900 5.731 2.365 436 H HIS 65 H HIS 65 -15.686 3.911 3.861 437 HA HIS 65 HA HIS 65 -13.850 3.988 6.120 438 HB2 HIS 65 HB2 HIS 65 -15.387 1.700 4.831 439 HB3 HIS 65 HB3 HIS 65 -14.466 1.569 6.319 440 HD1 HIS 65 HD1 HIS 65 -15.435 2.651 8.509 441 HD2 HIS 65 HD2 HIS 65 -17.819 2.871 5.040 442 HE1 HIS 65 HE1 HIS 65 -17.809 3.244 9.286 443 H LEU 66 H LEU 66 -13.036 3.670 2.910 444 HA LEU 66 HA LEU 66 -11.606 1.312 2.694 445 HB2 LEU 66 HB2 LEU 66 -10.634 2.173 0.739 446 HB3 LEU 66 HB3 LEU 66 -12.247 2.850 0.856 447 HG LEU 66 HG LEU 66 -9.630 4.315 1.430 448 HD11 LEU 66 HD11 LEU 66 -11.665 4.559 -0.829 449 HD12 LEU 66 HD12 LEU 66 -10.033 3.867 -0.956 450 HD13 LEU 66 HD13 LEU 66 -10.241 5.590 -0.608 451 HD21 LEU 66 HD21 LEU 66 -11.055 6.354 1.444 452 HD22 LEU 66 HD22 LEU 66 -11.342 5.338 2.837 453 HD23 LEU 66 HD23 LEU 66 -12.499 5.339 1.477 454 H ILE 67 H ILE 67 -10.394 4.227 4.261 455 HA ILE 67 HA ILE 67 -7.661 3.488 4.355 456 HB ILE 67 HB ILE 67 -8.786 5.722 4.697 457 HG12 ILE 67 HG12 ILE 67 -6.392 5.451 4.821 458 HG13 ILE 67 HG13 ILE 67 -7.028 6.732 5.821 459 HG21 ILE 67 HG21 ILE 67 -9.301 6.491 6.940 460 HG22 ILE 67 HG22 ILE 67 -10.343 5.139 6.494 461 HG23 ILE 67 HG23 ILE 67 -8.990 4.879 7.611 462 HD11 ILE 67 HD11 ILE 67 -6.702 5.209 7.844 463 HD12 ILE 67 HD12 ILE 67 -5.820 4.112 6.745 464 HD13 ILE 67 HD13 ILE 67 -5.235 5.745 7.005 465 H GLU 68 H GLU 68 -10.314 2.588 6.564 466 HA GLU 68 HA GLU 68 -8.751 1.309 8.560 467 HB2 GLU 68 HB2 GLU 68 -11.478 0.471 7.487 468 HB3 GLU 68 HB3 GLU 68 -10.757 -0.040 9.009 469 HG2 GLU 68 HG2 GLU 68 -10.847 2.285 9.850 470 HG3 GLU 68 HG3 GLU 68 -11.515 2.836 8.309 471 H ALA 69 H ALA 69 -10.123 -0.061 5.544 472 HA ALA 69 HA ALA 69 -8.717 -2.540 5.680 473 HB1 ALA 69 HB1 ALA 69 -10.747 -2.300 4.399 474 HB2 ALA 69 HB2 ALA 69 -10.010 -1.080 3.347 475 HB3 ALA 69 HB3 ALA 69 -9.433 -2.763 3.309 476 H HIS 70 H HIS 70 -7.654 0.620 4.238 477 HA HIS 70 HA HIS 70 -5.299 -0.347 2.974 478 HB2 HIS 70 HB2 HIS 70 -5.498 2.204 4.641 479 HB3 HIS 70 HB3 HIS 70 -4.221 1.784 3.535 480 HD1 HIS 70 HD1 HIS 70 -7.092 1.053 1.428 481 HD2 HIS 70 HD2 HIS 70 -5.281 4.502 3.058 482 HE1 HIS 70 HE1 HIS 70 -7.738 3.055 -0.041 483 H LYS 71 H LYS 71 -5.755 0.727 6.411 484 HA LYS 71 HA LYS 71 -3.118 0.013 7.179 485 HB2 LYS 71 HB2 LYS 71 -4.627 1.611 8.401 486 HB3 LYS 71 HB3 LYS 71 -5.533 0.222 9.036 487 HG2 LYS 71 HG2 LYS 71 -3.473 -0.651 10.112 488 HG3 LYS 71 HG3 LYS 71 -2.520 0.606 9.323 489 HD2 LYS 71 HD2 LYS 71 -2.701 1.314 11.490 490 HD3 LYS 71 HD3 LYS 71 -3.861 2.328 10.629 491 HE2 LYS 71 HE2 LYS 71 -5.722 0.925 11.475 492 HE3 LYS 71 HE3 LYS 71 -4.557 -0.178 12.241 493 HZ1 LYS 71 HZ1 LYS 71 -3.793 1.726 13.590 494 HZ2 LYS 71 HZ2 LYS 71 -5.396 1.413 13.861 495 HZ3 LYS 71 HZ3 LYS 71 -4.946 2.676 12.942 496 H GLU 72 H GLU 72 -6.158 -1.826 7.636 497 HA GLU 72 HA GLU 72 -5.051 -4.083 8.919 498 HB2 GLU 72 HB2 GLU 72 -7.378 -3.854 6.978 499 HB3 GLU 72 HB3 GLU 72 -7.027 -5.305 7.904 500 HG2 GLU 72 HG2 GLU 72 -7.260 -2.806 9.540 501 HG3 GLU 72 HG3 GLU 72 -8.722 -3.300 8.694 502 H SER 73 H SER 73 -5.512 -3.653 5.343 503 HA SER 73 HA SER 73 -4.320 -6.192 4.758 504 HB2 SER 73 HB2 SER 73 -5.961 -4.983 3.312 505 HB3 SER 73 HB3 SER 73 -4.682 -3.830 2.884 506 HG SER 73 HG SER 73 -4.698 -6.662 2.470 507 H MET 74 H MET 74 -2.879 -2.851 4.593 508 HA MET 74 HA MET 74 -0.381 -3.877 3.667 509 HB2 MET 74 HB2 MET 74 0.442 -1.709 3.741 510 HB3 MET 74 HB3 MET 74 -1.269 -1.545 3.368 511 HG2 MET 74 HG2 MET 74 -0.968 0.123 4.957 512 HG3 MET 74 HG3 MET 74 -1.521 -1.203 5.976 513 HE1 MET 74 HE1 MET 74 -0.667 -0.462 8.268 514 HE2 MET 74 HE2 MET 74 0.868 0.395 8.520 515 HE3 MET 74 HE3 MET 74 -0.383 1.112 7.481 516 H ARG 75 H ARG 75 -1.533 -3.355 7.019 517 HA ARG 75 HA ARG 75 0.962 -4.187 8.174 518 HB2 ARG 75 HB2 ARG 75 -0.683 -2.836 9.341 519 HB3 ARG 75 HB3 ARG 75 -1.828 -4.180 9.368 520 HG2 ARG 75 HG2 ARG 75 0.932 -4.656 10.499 521 HG3 ARG 75 HG3 ARG 75 -0.117 -3.571 11.397 522 HD2 ARG 75 HD2 ARG 75 -0.991 -6.375 10.591 523 HD3 ARG 75 HD3 ARG 75 -0.170 -6.002 12.108 524 HE ARG 75 HE ARG 75 -1.978 -4.622 12.812 525 HH11 ARG 75 HH11 ARG 75 -2.809 -6.527 9.899 526 HH12 ARG 75 HH12 ARG 75 -4.529 -6.275 10.124 527 HH21 ARG 75 HH21 ARG 75 -4.170 -4.350 13.057 528 HH22 ARG 75 HH22 ARG 75 -5.298 -5.050 11.914 529 H ALA 76 H ALA 76 -2.030 -6.092 7.363 530 HA ALA 76 HA ALA 76 -1.043 -8.599 8.182 531 HB1 ALA 76 HB1 ALA 76 -2.648 -9.529 6.553 532 HB2 ALA 76 HB2 ALA 76 -3.364 -8.197 7.477 533 HB3 ALA 76 HB3 ALA 76 -2.831 -7.931 5.802 534 H LEU 77 H LEU 77 -0.547 -6.977 5.003 535 HA LEU 77 HA LEU 77 1.278 -8.836 3.894 536 HB2 LEU 77 HB2 LEU 77 0.179 -7.039 2.659 537 HB3 LEU 77 HB3 LEU 77 1.057 -5.824 3.567 538 HG LEU 77 HG LEU 77 3.019 -7.621 2.405 539 HD11 LEU 77 HD11 LEU 77 1.336 -8.281 0.777 540 HD12 LEU 77 HD12 LEU 77 2.566 -7.263 0.011 541 HD13 LEU 77 HD13 LEU 77 0.966 -6.586 0.415 542 HD21 LEU 77 HD21 LEU 77 3.393 -5.254 2.970 543 HD22 LEU 77 HD22 LEU 77 2.248 -4.759 1.704 544 HD23 LEU 77 HD23 LEU 77 3.763 -5.575 1.268 545 H GLY 78 H GLY 78 2.045 -5.917 5.908 546 HA2 GLY 78 HA2 GLY 78 4.838 -6.242 6.087 547 HA3 GLY 78 HA3 GLY 78 3.812 -5.514 7.333 548 H PHE 79 H PHE 79 2.323 -7.868 7.975 549 HA PHE 79 HA PHE 79 4.166 -9.373 9.645 550 HB2 PHE 79 HB2 PHE 79 1.847 -8.580 10.247 551 HB3 PHE 79 HB3 PHE 79 1.194 -9.795 9.167 552 HD1 PHE 79 HD1 PHE 79 2.978 -9.177 12.352 553 HD2 PHE 79 HD2 PHE 79 1.190 -12.180 9.823 554 HE1 PHE 79 HE1 PHE 79 3.034 -10.800 14.232 555 HE2 PHE 79 HE2 PHE 79 1.242 -13.794 11.707 556 HZ PHE 79 HZ PHE 79 2.162 -13.108 13.914 557 H LYS 80 H LYS 80 2.557 -10.009 6.600 558 HA LYS 80 HA LYS 80 3.231 -12.869 6.472 559 HB2 LYS 80 HB2 LYS 80 1.096 -11.985 5.678 560 HB3 LYS 80 HB3 LYS 80 1.919 -10.995 4.467 561 HG2 LYS 80 HG2 LYS 80 2.611 -12.939 3.229 562 HG3 LYS 80 HG3 LYS 80 2.112 -14.028 4.548 563 HD2 LYS 80 HD2 LYS 80 -0.215 -13.572 4.165 564 HD3 LYS 80 HD3 LYS 80 0.152 -12.204 3.113 565 HE2 LYS 80 HE2 LYS 80 -0.591 -14.120 1.800 566 HE3 LYS 80 HE3 LYS 80 1.071 -13.670 1.400 567 HZ1 LYS 80 HZ1 LYS 80 0.732 -16.068 1.635 568 HZ2 LYS 80 HZ2 LYS 80 0.384 -15.920 3.223 569 HZ3 LYS 80 HZ3 LYS 80 1.883 -15.518 2.671 570 H ILE 81 H ILE 81 4.759 -9.965 5.146 571 HA ILE 81 HA ILE 81 6.706 -11.279 3.516 572 HB ILE 81 HB ILE 81 6.807 -8.728 5.162 573 HG12 ILE 81 HG12 ILE 81 6.713 -9.074 2.128 574 HG13 ILE 81 HG13 ILE 81 5.243 -9.025 3.083 575 HG21 ILE 81 HG21 ILE 81 9.128 -9.481 4.884 576 HG22 ILE 81 HG22 ILE 81 8.860 -9.803 3.163 577 HG23 ILE 81 HG23 ILE 81 8.844 -8.140 3.790 578 HD11 ILE 81 HD11 ILE 81 7.291 -6.780 2.932 579 HD12 ILE 81 HD12 ILE 81 5.689 -6.825 2.181 580 HD13 ILE 81 HD13 ILE 81 5.830 -6.785 3.947 Start of MODEL 13 1 H ASN 1 H ASN 1 -11.185 3.001 -16.711 2 HA ASN 1 HA ASN 1 -9.868 4.606 -15.698 3 HB2 ASN 1 HB2 ASN 1 -11.914 5.273 -15.130 4 HB3 ASN 1 HB3 ASN 1 -12.389 3.756 -14.395 5 HD21 ASN 1 HD21 ASN 1 -10.481 6.770 -13.723 6 HD22 ASN 1 HD22 ASN 1 -11.054 6.740 -12.044 7 H GLY 2 H GLY 2 -10.473 2.607 -12.816 8 HA2 GLY 2 HA2 GLY 2 -9.122 1.897 -11.147 9 HA3 GLY 2 HA3 GLY 2 -7.880 1.642 -12.357 10 H ASN 3 H ASN 3 -9.127 4.819 -11.540 11 HA ASN 3 HA ASN 3 -6.343 5.842 -11.411 12 HB2 ASN 3 HB2 ASN 3 -8.090 6.525 -13.001 13 HB3 ASN 3 HB3 ASN 3 -9.032 7.158 -11.640 14 HD21 ASN 3 HD21 ASN 3 -8.652 9.074 -10.857 15 HD22 ASN 3 HD22 ASN 3 -7.239 10.040 -11.257 16 H ILE 4 H ILE 4 -8.901 5.402 -9.183 17 HA ILE 4 HA ILE 4 -9.387 6.013 -7.038 18 HB ILE 4 HB ILE 4 -6.460 6.737 -6.953 19 HG12 ILE 4 HG12 ILE 4 -6.334 5.052 -5.156 20 HG13 ILE 4 HG13 ILE 4 -8.005 4.628 -5.380 21 HG21 ILE 4 HG21 ILE 4 -7.447 8.353 -5.482 22 HG22 ILE 4 HG22 ILE 4 -8.445 7.101 -4.691 23 HG23 ILE 4 HG23 ILE 4 -6.673 7.122 -4.547 24 HD11 ILE 4 HD11 ILE 4 -7.382 3.842 -7.715 25 HD12 ILE 4 HD12 ILE 4 -5.717 4.430 -7.414 26 HD13 ILE 4 HD13 ILE 4 -6.370 3.083 -6.464 27 H ASN 5 H ASN 5 -7.584 8.630 -8.569 28 HA ASN 5 HA ASN 5 -7.794 10.887 -8.588 29 HB2 ASN 5 HB2 ASN 5 -10.198 10.201 -9.290 30 HB3 ASN 5 HB3 ASN 5 -10.676 10.741 -7.684 31 HD21 ASN 5 HD21 ASN 5 -9.938 13.023 -7.081 32 HD22 ASN 5 HD22 ASN 5 -9.738 14.189 -8.395 33 H TRP 6 H TRP 6 -6.265 10.746 -6.922 34 HA TRP 6 HA TRP 6 -6.595 10.012 -4.256 35 HB2 TRP 6 HB2 TRP 6 -4.510 11.936 -5.303 36 HB3 TRP 6 HB3 TRP 6 -4.363 10.872 -3.899 37 HD1 TRP 6 HD1 TRP 6 -3.825 10.976 -7.548 38 HE1 TRP 6 HE1 TRP 6 -3.435 8.634 -8.578 39 HE3 TRP 6 HE3 TRP 6 -4.515 8.233 -3.369 40 HZ2 TRP 6 HZ2 TRP 6 -3.093 5.952 -7.538 41 HZ3 TRP 6 HZ3 TRP 6 -4.137 5.808 -3.374 42 HH2 TRP 6 HH2 TRP 6 -3.428 4.627 -5.451 43 H ASN 7 H ASN 7 -6.861 13.245 -5.478 44 HA ASN 7 HA ASN 7 -6.877 14.513 -2.839 45 HB2 ASN 7 HB2 ASN 7 -5.719 15.306 -4.884 46 HB3 ASN 7 HB3 ASN 7 -7.294 15.483 -5.650 47 HD21 ASN 7 HD21 ASN 7 -5.337 16.476 -2.774 48 HD22 ASN 7 HD22 ASN 7 -5.998 18.086 -2.686 49 H SER 8 H SER 8 -9.338 12.864 -4.462 50 HA SER 8 HA SER 8 -11.525 14.557 -3.500 51 HB2 SER 8 HB2 SER 8 -11.520 11.868 -4.877 52 HB3 SER 8 HB3 SER 8 -12.973 12.719 -4.324 53 HG SER 8 HG SER 8 -12.411 13.125 -6.498 54 HA PRO 9 HA PRO 9 -12.128 11.517 0.077 55 HB2 PRO 9 HB2 PRO 9 -10.994 9.064 0.222 56 HB3 PRO 9 HB3 PRO 9 -12.427 9.358 -0.805 57 HG2 PRO 9 HG2 PRO 9 -9.504 9.363 -1.663 58 HG3 PRO 9 HG3 PRO 9 -10.855 8.429 -2.385 59 HD2 PRO 9 HD2 PRO 9 -10.047 10.834 -3.384 60 HD3 PRO 9 HD3 PRO 9 -11.773 10.343 -3.375 61 H CYS 10 H CYS 10 -10.713 10.805 2.010 62 HA CYS 10 HA CYS 10 -8.372 12.445 2.195 63 HB2 CYS 10 HB2 CYS 10 -8.268 11.626 4.497 64 HB3 CYS 10 HB3 CYS 10 -9.849 12.226 4.047 65 H LEU 11 H LEU 11 -7.962 10.242 0.197 66 HA LEU 11 HA LEU 11 -6.003 8.446 1.310 67 HB2 LEU 11 HB2 LEU 11 -7.128 9.006 -1.380 68 HB3 LEU 11 HB3 LEU 11 -5.435 8.543 -1.405 69 HG LEU 11 HG LEU 11 -5.933 6.456 -0.151 70 HD11 LEU 11 HD11 LEU 11 -8.233 5.805 0.120 71 HD12 LEU 11 HD12 LEU 11 -8.715 7.504 -0.202 72 HD13 LEU 11 HD13 LEU 11 -7.651 7.079 1.194 73 HD21 LEU 11 HD21 LEU 11 -6.106 6.388 -2.603 74 HD22 LEU 11 HD22 LEU 11 -7.841 6.797 -2.474 75 HD23 LEU 11 HD23 LEU 11 -7.210 5.268 -1.822 76 H GLY 12 H GLY 12 -5.603 11.740 0.485 77 HA2 GLY 12 HA2 GLY 12 -2.977 11.925 -0.442 78 HA3 GLY 12 HA3 GLY 12 -3.751 13.102 0.626 79 H GLY 13 H GLY 13 -3.984 11.613 3.016 80 HA2 GLY 13 HA2 GLY 13 -1.425 11.677 4.217 81 HA3 GLY 13 HA3 GLY 13 -2.837 10.820 4.849 82 H MET 14 H MET 14 -2.921 8.978 2.465 83 HA MET 14 HA MET 14 -0.627 7.200 3.048 84 HB2 MET 14 HB2 MET 14 -3.094 6.540 3.135 85 HB3 MET 14 HB3 MET 14 -3.028 6.596 1.378 86 HG2 MET 14 HG2 MET 14 -2.542 4.432 1.720 87 HG3 MET 14 HG3 MET 14 -0.893 5.014 1.729 88 HE1 MET 14 HE1 MET 14 0.641 5.063 3.850 89 HE2 MET 14 HE2 MET 14 -0.424 6.088 4.852 90 HE3 MET 14 HE3 MET 14 0.157 4.538 5.475 91 H ALA 15 H ALA 15 -1.860 9.136 0.415 92 HA ALA 15 HA ALA 15 -0.053 7.824 -1.511 93 HB1 ALA 15 HB1 ALA 15 -1.699 7.955 -2.952 94 HB2 ALA 15 HB2 ALA 15 -2.765 8.363 -1.621 95 HB3 ALA 15 HB3 ALA 15 -2.083 9.664 -2.635 96 H SER 16 H SER 16 -0.171 10.904 0.066 97 HA SER 16 HA SER 16 2.133 11.910 -1.530 98 HB2 SER 16 HB2 SER 16 0.746 12.930 0.975 99 HB3 SER 16 HB3 SER 16 2.176 13.688 0.271 100 HG SER 16 HG SER 16 0.020 14.494 -0.286 101 H GLY 17 H GLY 17 4.161 12.386 -0.452 102 HA2 GLY 17 HA2 GLY 17 5.596 11.991 1.653 103 HA3 GLY 17 HA3 GLY 17 4.973 10.388 1.652 104 HA PRO 18 HA PRO 18 9.195 10.478 -0.781 105 HB2 PRO 18 HB2 PRO 18 9.966 8.404 0.944 106 HB3 PRO 18 HB3 PRO 18 10.565 10.086 0.904 107 HG2 PRO 18 HG2 PRO 18 8.475 8.900 2.699 108 HG3 PRO 18 HG3 PRO 18 9.694 10.172 3.045 109 HD2 PRO 18 HD2 PRO 18 7.100 10.712 2.629 110 HD3 PRO 18 HD3 PRO 18 8.336 11.813 1.989 111 H CYS 19 H CYS 19 7.130 7.980 0.702 112 HA CYS 19 HA CYS 19 7.535 6.169 -1.622 113 HB2 CYS 19 HB2 CYS 19 6.373 5.658 1.113 114 HB3 CYS 19 HB3 CYS 19 6.750 4.432 -0.083 115 H GLY 20 H GLY 20 5.510 8.561 -1.349 116 HA2 GLY 20 HA2 GLY 20 2.863 7.588 -1.118 117 HA3 GLY 20 HA3 GLY 20 3.367 9.042 -2.007 118 H GLU 21 H GLU 21 4.948 7.926 -3.979 119 HA GLU 21 HA GLU 21 3.198 6.996 -6.005 120 HB2 GLU 21 HB2 GLU 21 5.133 6.798 -7.231 121 HB3 GLU 21 HB3 GLU 21 5.471 8.137 -6.154 122 HG2 GLU 21 HG2 GLU 21 6.693 6.297 -4.718 123 HG3 GLU 21 HG3 GLU 21 6.566 5.300 -6.151 124 H GLN 22 H GLN 22 5.100 5.057 -3.632 125 HA GLN 22 HA GLN 22 4.541 2.568 -4.916 126 HB2 GLN 22 HB2 GLN 22 4.796 2.802 -1.912 127 HB3 GLN 22 HB3 GLN 22 5.259 1.494 -2.989 128 HG2 GLN 22 HG2 GLN 22 6.683 4.099 -2.540 129 HG3 GLN 22 HG3 GLN 22 7.191 2.501 -2.110 130 HE21 GLN 22 HE21 GLN 22 8.679 4.481 -3.606 131 HE22 GLN 22 HE22 GLN 22 8.870 3.850 -5.244 132 H PHE 23 H PHE 23 2.701 4.514 -2.478 133 HA PHE 23 HA PHE 23 0.558 2.649 -2.437 134 HB2 PHE 23 HB2 PHE 23 0.871 4.695 -0.804 135 HB3 PHE 23 HB3 PHE 23 0.154 5.632 -2.077 136 HD1 PHE 23 HD1 PHE 23 -0.703 2.114 -0.945 137 HD2 PHE 23 HD2 PHE 23 -2.048 6.218 -1.281 138 HE1 PHE 23 HE1 PHE 23 -2.983 1.427 -0.372 139 HE2 PHE 23 HE2 PHE 23 -4.205 5.538 -0.513 140 HZ PHE 23 HZ PHE 23 -4.792 3.112 -0.280 141 H LYS 24 H LYS 24 1.098 5.514 -4.537 142 HA LYS 24 HA LYS 24 -1.288 5.368 -6.014 143 HB2 LYS 24 HB2 LYS 24 1.401 5.966 -7.224 144 HB3 LYS 24 HB3 LYS 24 -0.103 6.485 -7.829 145 HG2 LYS 24 HG2 LYS 24 1.128 7.495 -5.240 146 HG3 LYS 24 HG3 LYS 24 1.104 8.311 -6.802 147 HD2 LYS 24 HD2 LYS 24 -1.413 8.101 -6.658 148 HD3 LYS 24 HD3 LYS 24 -1.239 7.604 -5.015 149 HE2 LYS 24 HE2 LYS 24 -1.752 9.937 -4.981 150 HE3 LYS 24 HE3 LYS 24 -0.035 9.831 -4.581 151 HZ1 LYS 24 HZ1 LYS 24 -0.984 10.340 -7.357 152 HZ2 LYS 24 HZ2 LYS 24 0.510 10.617 -6.766 153 HZ3 LYS 24 HZ3 LYS 24 -0.757 11.560 -6.310 154 H SER 25 H SER 25 1.742 3.777 -6.670 155 HA SER 25 HA SER 25 0.953 2.124 -8.798 156 HB2 SER 25 HB2 SER 25 3.238 2.720 -8.181 157 HB3 SER 25 HB3 SER 25 3.156 1.791 -6.700 158 HG SER 25 HG SER 25 4.146 0.602 -8.408 159 H ALA 26 H ALA 26 0.987 1.283 -5.263 160 HA ALA 26 HA ALA 26 0.010 -1.377 -5.681 161 HB1 ALA 26 HB1 ALA 26 -0.303 -1.388 -3.237 162 HB2 ALA 26 HB2 ALA 26 1.262 -0.675 -3.669 163 HB3 ALA 26 HB3 ALA 26 -0.086 0.374 -3.188 164 H PHE 27 H PHE 27 -1.834 1.509 -4.506 165 HA PHE 27 HA PHE 27 -4.275 0.019 -4.595 166 HB2 PHE 27 HB2 PHE 27 -3.446 2.403 -3.393 167 HB3 PHE 27 HB3 PHE 27 -4.645 2.921 -4.561 168 HD1 PHE 27 HD1 PHE 27 -4.360 -0.125 -2.329 169 HD2 PHE 27 HD2 PHE 27 -6.640 3.384 -3.369 170 HE1 PHE 27 HE1 PHE 27 -6.134 -0.803 -0.734 171 HE2 PHE 27 HE2 PHE 27 -8.379 2.743 -1.690 172 HZ PHE 27 HZ PHE 27 -8.161 0.610 -0.451 173 H SER 28 H SER 28 -2.933 2.399 -7.008 174 HA SER 28 HA SER 28 -5.100 2.029 -8.833 175 HB2 SER 28 HB2 SER 28 -3.387 3.767 -9.078 176 HB3 SER 28 HB3 SER 28 -2.223 2.520 -9.604 177 HG SER 28 HG SER 28 -4.770 3.122 -10.757 178 H CYS 29 H CYS 29 -1.987 0.036 -8.640 179 HA CYS 29 HA CYS 29 -2.732 -1.769 -10.624 180 HB2 CYS 29 HB2 CYS 29 -0.574 -1.726 -9.454 181 HB3 CYS 29 HB3 CYS 29 -1.298 -2.459 -8.020 182 H PHE 30 H PHE 30 -3.691 -1.973 -7.131 183 HA PHE 30 HA PHE 30 -5.396 -4.200 -7.459 184 HB2 PHE 30 HB2 PHE 30 -4.752 -3.612 -5.253 185 HB3 PHE 30 HB3 PHE 30 -5.366 -1.964 -5.424 186 HD1 PHE 30 HD1 PHE 30 -6.541 -5.539 -5.597 187 HD2 PHE 30 HD2 PHE 30 -7.583 -1.429 -4.825 188 HE1 PHE 30 HE1 PHE 30 -8.902 -6.211 -5.173 189 HE2 PHE 30 HE2 PHE 30 -9.958 -2.097 -4.530 190 HZ PHE 30 HZ PHE 30 -10.610 -4.473 -4.692 191 H HIS 31 H HIS 31 -6.335 -0.695 -7.714 192 HA HIS 31 HA HIS 31 -9.059 -1.329 -8.325 193 HB2 HIS 31 HB2 HIS 31 -7.354 1.148 -8.443 194 HB3 HIS 31 HB3 HIS 31 -8.908 1.124 -9.260 195 HD1 HIS 31 HD1 HIS 31 -11.069 1.224 -7.910 196 HD2 HIS 31 HD2 HIS 31 -7.576 0.851 -5.606 197 HE1 HIS 31 HE1 HIS 31 -11.789 1.454 -5.463 198 H TYR 32 H TYR 32 -6.282 -1.119 -10.463 199 HA TYR 32 HA TYR 32 -7.779 -1.832 -12.863 200 HB2 TYR 32 HB2 TYR 32 -4.855 -1.779 -12.117 201 HB3 TYR 32 HB3 TYR 32 -5.393 -2.516 -13.603 202 HD1 TYR 32 HD1 TYR 32 -5.689 0.800 -11.790 203 HD2 TYR 32 HD2 TYR 32 -5.519 -1.292 -15.554 204 HE1 TYR 32 HE1 TYR 32 -5.336 2.929 -12.933 205 HE2 TYR 32 HE2 TYR 32 -5.201 0.887 -16.726 206 HH TYR 32 HH TYR 32 -5.006 3.985 -14.905 207 H SER 33 H SER 33 -7.223 -3.646 -10.095 208 HA SER 33 HA SER 33 -6.944 -6.275 -11.493 209 HB2 SER 33 HB2 SER 33 -5.299 -5.782 -9.658 210 HB3 SER 33 HB3 SER 33 -6.640 -5.607 -8.539 211 HG SER 33 HG SER 33 -6.057 -7.947 -10.021 212 H THR 34 H THR 34 -8.682 -5.000 -8.695 213 HA THR 34 HA THR 34 -10.547 -5.649 -7.576 214 HB THR 34 HB THR 34 -12.649 -5.537 -8.681 215 HG1 THR 34 HG1 THR 34 -12.191 -6.694 -10.541 216 HG21 THR 34 HG21 THR 34 -10.795 -3.525 -10.006 217 HG22 THR 34 HG22 THR 34 -11.315 -3.435 -8.307 218 HG23 THR 34 HG23 THR 34 -12.513 -3.332 -9.604 219 H GLU 35 H GLU 35 -8.987 -7.689 -7.532 220 HA GLU 35 HA GLU 35 -9.816 -10.107 -8.795 221 HB2 GLU 35 HB2 GLU 35 -7.610 -9.266 -7.405 222 HB3 GLU 35 HB3 GLU 35 -8.364 -10.229 -6.164 223 HG2 GLU 35 HG2 GLU 35 -7.342 -11.065 -8.883 224 HG3 GLU 35 HG3 GLU 35 -6.782 -11.603 -7.310 225 H GLU 36 H GLU 36 -10.455 -8.833 -5.681 226 HA GLU 36 HA GLU 36 -12.874 -9.713 -4.729 227 HB2 GLU 36 HB2 GLU 36 -10.889 -11.985 -4.647 228 HB3 GLU 36 HB3 GLU 36 -11.703 -11.648 -3.134 229 HG2 GLU 36 HG2 GLU 36 -13.899 -11.939 -4.125 230 HG3 GLU 36 HG3 GLU 36 -13.151 -12.278 -5.694 231 H ILE 37 H ILE 37 -9.493 -9.739 -4.053 232 HA ILE 37 HA ILE 37 -9.705 -8.528 -1.313 233 HB ILE 37 HB ILE 37 -7.951 -10.704 -2.458 234 HG12 ILE 37 HG12 ILE 37 -10.053 -11.582 -1.693 235 HG13 ILE 37 HG13 ILE 37 -8.705 -12.171 -0.752 236 HG21 ILE 37 HG21 ILE 37 -6.810 -10.898 -0.240 237 HG22 ILE 37 HG22 ILE 37 -6.370 -9.514 -1.208 238 HG23 ILE 37 HG23 ILE 37 -7.479 -9.301 0.178 239 HD11 ILE 37 HD11 ILE 37 -10.641 -9.982 0.145 240 HD12 ILE 37 HD12 ILE 37 -10.677 -11.679 0.651 241 HD13 ILE 37 HD13 ILE 37 -9.301 -10.663 1.106 242 H LYS 38 H LYS 38 -8.160 -6.903 -0.805 243 HA LYS 38 HA LYS 38 -6.908 -5.374 -2.801 244 HB2 LYS 38 HB2 LYS 38 -5.782 -5.787 -0.013 245 HB3 LYS 38 HB3 LYS 38 -5.460 -4.447 -1.088 246 HG2 LYS 38 HG2 LYS 38 -7.927 -4.978 0.565 247 HG3 LYS 38 HG3 LYS 38 -6.735 -3.692 0.656 248 HD2 LYS 38 HD2 LYS 38 -8.558 -2.607 -0.171 249 HD3 LYS 38 HD3 LYS 38 -7.622 -2.890 -1.642 250 HE2 LYS 38 HE2 LYS 38 -9.138 -4.567 -2.396 251 HE3 LYS 38 HE3 LYS 38 -9.783 -4.844 -0.771 252 HZ1 LYS 38 HZ1 LYS 38 -10.196 -2.252 -2.163 253 HZ2 LYS 38 HZ2 LYS 38 -10.929 -2.810 -0.819 254 HZ3 LYS 38 HZ3 LYS 38 -11.267 -3.475 -2.290 255 H GLY 39 H GLY 39 -5.304 -5.991 -4.271 256 HA2 GLY 39 HA2 GLY 39 -3.042 -6.212 -4.717 257 HA3 GLY 39 HA3 GLY 39 -2.745 -6.590 -3.027 258 H SER 40 H SER 40 -4.970 -8.925 -3.877 259 HA SER 40 HA SER 40 -3.297 -11.130 -3.861 260 HB2 SER 40 HB2 SER 40 -5.912 -10.708 -5.348 261 HB3 SER 40 HB3 SER 40 -5.151 -12.295 -5.151 262 HG SER 40 HG SER 40 -6.725 -11.829 -3.618 263 H ASP 41 H ASP 41 -4.005 -9.248 -6.806 264 HA ASP 41 HA ASP 41 -1.917 -10.869 -8.227 265 HB2 ASP 41 HB2 ASP 41 -4.322 -11.191 -8.925 266 HB3 ASP 41 HB3 ASP 41 -4.330 -9.512 -9.443 267 H CYS 42 H CYS 42 -1.481 -8.603 -6.596 268 HA CYS 42 HA CYS 42 0.069 -6.803 -8.368 269 HB2 CYS 42 HB2 CYS 42 -2.288 -5.981 -6.651 270 HB3 CYS 42 HB3 CYS 42 -1.014 -4.823 -7.008 271 H VAL 43 H VAL 43 0.411 -8.771 -5.931 272 HA VAL 43 HA VAL 43 0.833 -7.220 -3.606 273 HB VAL 43 HB VAL 43 0.258 -9.443 -3.301 274 HG11 VAL 43 HG11 VAL 43 1.672 -11.357 -3.972 275 HG12 VAL 43 HG12 VAL 43 1.023 -10.462 -5.342 276 HG13 VAL 43 HG13 VAL 43 2.728 -10.235 -4.871 277 HG21 VAL 43 HG21 VAL 43 1.927 -8.578 -1.608 278 HG22 VAL 43 HG22 VAL 43 1.841 -10.339 -1.760 279 HG23 VAL 43 HG23 VAL 43 3.191 -9.451 -2.491 280 H ASP 44 H ASP 44 3.195 -7.903 -6.159 281 HA ASP 44 HA ASP 44 5.511 -7.199 -4.695 282 HB2 ASP 44 HB2 ASP 44 5.367 -8.241 -6.965 283 HB3 ASP 44 HB3 ASP 44 4.921 -6.663 -7.622 284 H GLN 45 H GLN 45 3.015 -5.050 -6.070 285 HA GLN 45 HA GLN 45 4.480 -2.602 -5.585 286 HB2 GLN 45 HB2 GLN 45 1.548 -3.165 -6.082 287 HB3 GLN 45 HB3 GLN 45 2.229 -1.560 -5.791 288 HG2 GLN 45 HG2 GLN 45 2.013 -1.896 -8.158 289 HG3 GLN 45 HG3 GLN 45 3.699 -1.728 -7.700 290 HE21 GLN 45 HE21 GLN 45 1.246 -4.181 -8.683 291 HE22 GLN 45 HE22 GLN 45 2.465 -5.282 -9.315 292 H PHE 46 H PHE 46 2.098 -4.446 -3.645 293 HA PHE 46 HA PHE 46 2.131 -2.731 -1.329 294 HB2 PHE 46 HB2 PHE 46 1.611 -5.693 -1.721 295 HB3 PHE 46 HB3 PHE 46 1.451 -4.905 -0.171 296 HD1 PHE 46 HD1 PHE 46 -0.036 -4.847 -3.662 297 HD2 PHE 46 HD2 PHE 46 -0.491 -3.800 0.502 298 HE1 PHE 46 HE1 PHE 46 -2.315 -3.931 -4.101 299 HE2 PHE 46 HE2 PHE 46 -2.709 -2.907 0.088 300 HZ PHE 46 HZ PHE 46 -3.654 -2.960 -2.250 301 H ARG 47 H ARG 47 4.123 -5.537 -2.270 302 HA ARG 47 HA ARG 47 5.814 -5.661 -0.055 303 HB2 ARG 47 HB2 ARG 47 5.718 -7.330 -1.885 304 HB3 ARG 47 HB3 ARG 47 6.589 -6.214 -2.945 305 HG2 ARG 47 HG2 ARG 47 8.550 -6.251 -1.510 306 HG3 ARG 47 HG3 ARG 47 7.686 -7.183 -0.277 307 HD2 ARG 47 HD2 ARG 47 7.429 -9.055 -1.919 308 HD3 ARG 47 HD3 ARG 47 8.366 -8.111 -3.098 309 HE ARG 47 HE ARG 47 9.675 -8.495 -0.511 310 HH11 ARG 47 HH11 ARG 47 9.254 -9.892 -3.765 311 HH12 ARG 47 HH12 ARG 47 10.716 -10.847 -3.655 312 HH21 ARG 47 HH21 ARG 47 11.562 -9.738 -0.418 313 HH22 ARG 47 HH22 ARG 47 12.022 -10.757 -1.763 314 H ALA 48 H ALA 48 6.257 -3.720 -3.034 315 HA ALA 48 HA ALA 48 8.553 -2.271 -2.195 316 HB1 ALA 48 HB1 ALA 48 7.828 -2.313 -4.489 317 HB2 ALA 48 HB2 ALA 48 6.308 -1.479 -4.066 318 HB3 ALA 48 HB3 ALA 48 7.865 -0.627 -3.883 319 H MET 49 H MET 49 5.058 -1.505 -1.734 320 HA MET 49 HA MET 49 5.368 0.982 -0.497 321 HB2 MET 49 HB2 MET 49 3.218 -0.030 -1.252 322 HB3 MET 49 HB3 MET 49 3.256 -1.104 0.151 323 HG2 MET 49 HG2 MET 49 3.225 0.865 1.650 324 HG3 MET 49 HG3 MET 49 3.141 1.924 0.229 325 HE1 MET 49 HE1 MET 49 1.116 2.001 2.699 326 HE2 MET 49 HE2 MET 49 0.905 3.085 1.305 327 HE3 MET 49 HE3 MET 49 -0.464 2.123 1.897 328 H GLN 50 H GLN 50 5.162 -2.192 1.287 329 HA GLN 50 HA GLN 50 5.935 -0.994 3.728 330 HB2 GLN 50 HB2 GLN 50 4.893 -3.290 3.421 331 HB3 GLN 50 HB3 GLN 50 6.502 -3.879 2.974 332 HG2 GLN 50 HG2 GLN 50 7.361 -2.972 5.183 333 HG3 GLN 50 HG3 GLN 50 5.713 -2.505 5.597 334 HE21 GLN 50 HE21 GLN 50 7.403 -5.487 4.394 335 HE22 GLN 50 HE22 GLN 50 6.809 -6.477 5.707 336 H GLU 51 H GLU 51 7.995 -2.533 1.278 337 HA GLU 51 HA GLU 51 10.558 -2.365 2.504 338 HB2 GLU 51 HB2 GLU 51 10.230 -3.636 0.532 339 HB3 GLU 51 HB3 GLU 51 9.410 -2.349 -0.300 340 HG2 GLU 51 HG2 GLU 51 11.278 -1.250 -0.984 341 HG3 GLU 51 HG3 GLU 51 12.353 -2.109 0.161 342 H CYS 52 H CYS 52 8.799 0.135 0.778 343 HA CYS 52 HA CYS 52 10.985 2.073 1.039 344 HB2 CYS 52 HB2 CYS 52 9.387 1.879 -0.900 345 HB3 CYS 52 HB3 CYS 52 8.110 2.457 0.152 346 H MET 53 H MET 53 7.816 1.456 2.661 347 HA MET 53 HA MET 53 7.988 3.971 4.085 348 HB2 MET 53 HB2 MET 53 5.992 1.682 4.160 349 HB3 MET 53 HB3 MET 53 5.857 3.113 5.185 350 HG2 MET 53 HG2 MET 53 5.884 4.595 3.248 351 HG3 MET 53 HG3 MET 53 6.065 3.221 2.158 352 HE1 MET 53 HE1 MET 53 4.055 4.013 0.631 353 HE2 MET 53 HE2 MET 53 2.540 4.639 1.324 354 HE3 MET 53 HE3 MET 53 4.082 5.440 1.683 355 H GLN 54 H GLN 54 8.926 0.752 4.798 356 HA GLN 54 HA GLN 54 9.485 0.900 7.539 357 HB2 GLN 54 HB2 GLN 54 10.905 -0.989 7.053 358 HB3 GLN 54 HB3 GLN 54 9.514 -1.064 6.056 359 HG2 GLN 54 HG2 GLN 54 11.253 -1.690 4.657 360 HG3 GLN 54 HG3 GLN 54 10.943 -0.010 4.230 361 HE21 GLN 54 HE21 GLN 54 13.008 -0.108 3.253 362 HE22 GLN 54 HE22 GLN 54 14.483 0.061 4.205 363 H LYS 55 H LYS 55 11.138 2.618 4.941 364 HA LYS 55 HA LYS 55 13.610 3.322 6.251 365 HB2 LYS 55 HB2 LYS 55 11.925 4.904 4.267 366 HB3 LYS 55 HB3 LYS 55 13.578 5.277 4.691 367 HG2 LYS 55 HG2 LYS 55 12.864 2.589 3.472 368 HG3 LYS 55 HG3 LYS 55 13.075 4.013 2.471 369 HD2 LYS 55 HD2 LYS 55 15.211 3.042 4.404 370 HD3 LYS 55 HD3 LYS 55 15.105 2.486 2.737 371 HE2 LYS 55 HE2 LYS 55 15.382 5.423 3.511 372 HE3 LYS 55 HE3 LYS 55 16.747 4.363 3.172 373 HZ1 LYS 55 HZ1 LYS 55 16.175 5.566 1.186 374 HZ2 LYS 55 HZ2 LYS 55 14.617 5.095 1.218 375 HZ3 LYS 55 HZ3 LYS 55 15.778 3.988 0.925 376 H TYR 56 H TYR 56 10.376 4.694 6.587 377 HA TYR 56 HA TYR 56 11.495 6.853 8.336 378 HB2 TYR 56 HB2 TYR 56 9.350 7.442 6.421 379 HB3 TYR 56 HB3 TYR 56 10.353 8.440 7.440 380 HD1 TYR 56 HD1 TYR 56 13.040 7.814 7.084 381 HD2 TYR 56 HD2 TYR 56 9.922 7.628 4.101 382 HE1 TYR 56 HE1 TYR 56 14.694 8.200 5.347 383 HE2 TYR 56 HE2 TYR 56 11.612 8.083 2.317 384 HH TYR 56 HH TYR 56 13.796 8.420 1.857 385 HA PRO 57 HA PRO 57 8.100 5.362 10.911 386 HB2 PRO 57 HB2 PRO 57 8.359 7.034 13.075 387 HB3 PRO 57 HB3 PRO 57 9.488 5.693 12.712 388 HG2 PRO 57 HG2 PRO 57 9.817 8.636 12.030 389 HG3 PRO 57 HG3 PRO 57 11.011 7.533 12.785 390 HD2 PRO 57 HD2 PRO 57 11.038 8.079 10.126 391 HD3 PRO 57 HD3 PRO 57 11.445 6.453 10.751 392 H ASP 58 H ASP 58 8.382 8.857 10.395 393 HA ASP 58 HA ASP 58 5.463 9.338 10.235 394 HB2 ASP 58 HB2 ASP 58 7.163 9.879 12.649 395 HB3 ASP 58 HB3 ASP 58 5.996 11.099 12.238 396 H LEU 59 H LEU 59 8.189 9.963 8.678 397 HA LEU 59 HA LEU 59 8.975 12.432 9.925 398 HB2 LEU 59 HB2 LEU 59 11.026 11.910 9.233 399 HB3 LEU 59 HB3 LEU 59 10.324 10.360 9.122 400 HG LEU 59 HG LEU 59 11.676 10.454 7.303 401 HD11 LEU 59 HD11 LEU 59 10.382 10.247 5.397 402 HD12 LEU 59 HD12 LEU 59 9.287 11.548 5.836 403 HD13 LEU 59 HD13 LEU 59 9.178 10.013 6.697 404 HD21 LEU 59 HD21 LEU 59 10.672 13.143 6.356 405 HD22 LEU 59 HD22 LEU 59 11.920 12.123 5.651 406 HD23 LEU 59 HD23 LEU 59 12.206 12.879 7.242 407 H TYR 60 H TYR 60 6.956 12.009 7.376 408 HA TYR 60 HA TYR 60 8.076 14.042 5.611 409 HB2 TYR 60 HB2 TYR 60 6.010 12.983 4.158 410 HB3 TYR 60 HB3 TYR 60 7.648 12.402 4.227 411 HD1 TYR 60 HD1 TYR 60 4.474 12.006 6.254 412 HD2 TYR 60 HD2 TYR 60 8.021 10.112 4.683 413 HE1 TYR 60 HE1 TYR 60 3.936 9.898 7.434 414 HE2 TYR 60 HE2 TYR 60 7.451 8.081 5.705 415 HH TYR 60 HH TYR 60 5.820 6.910 6.925 416 H GLU 61 H GLU 61 -11.794 16.553 11.696 417 HA GLU 61 HA GLU 61 -12.991 15.674 9.860 418 HB2 GLU 61 HB2 GLU 61 -10.146 14.580 9.896 419 HB3 GLU 61 HB3 GLU 61 -11.178 14.726 8.475 420 HG2 GLU 61 HG2 GLU 61 -11.296 17.233 8.943 421 HG3 GLU 61 HG3 GLU 61 -10.041 16.975 10.160 422 H HIS 62 H HIS 62 -14.288 14.121 9.209 423 HA HIS 62 HA HIS 62 -14.496 11.674 10.783 424 HB2 HIS 62 HB2 HIS 62 -16.157 13.030 8.650 425 HB3 HIS 62 HB3 HIS 62 -16.540 11.415 9.217 426 HD1 HIS 62 HD1 HIS 62 -16.214 14.976 10.641 427 HD2 HIS 62 HD2 HIS 62 -17.624 11.142 11.640 428 HE1 HIS 62 HE1 HIS 62 -17.449 15.222 12.869 429 H CYS 63 H CYS 63 -13.194 12.314 7.587 430 HA CYS 63 HA CYS 63 -13.611 9.674 6.551 431 HB2 CYS 63 HB2 CYS 63 -13.352 11.655 5.170 432 HB3 CYS 63 HB3 CYS 63 -11.696 11.870 5.721 433 H GLY 64 H GLY 64 -12.453 7.862 6.644 434 HA2 GLY 64 HA2 GLY 64 -9.663 7.561 6.972 435 HA3 GLY 64 HA3 GLY 64 -10.383 7.437 8.578 436 H HIS 65 H HIS 65 -12.712 6.143 6.539 437 HA HIS 65 HA HIS 65 -12.284 3.526 7.596 438 HB2 HIS 65 HB2 HIS 65 -14.126 4.530 5.389 439 HB3 HIS 65 HB3 HIS 65 -14.185 2.908 6.074 440 HD1 HIS 65 HD1 HIS 65 -13.754 3.917 9.185 441 HD2 HIS 65 HD2 HIS 65 -16.557 5.230 6.327 442 HE1 HIS 65 HE1 HIS 65 -15.763 4.767 10.494 443 H LEU 66 H LEU 66 -11.484 4.768 4.278 444 HA LEU 66 HA LEU 66 -10.548 2.153 3.510 445 HB2 LEU 66 HB2 LEU 66 -9.562 4.616 2.079 446 HB3 LEU 66 HB3 LEU 66 -9.833 3.000 1.508 447 HG LEU 66 HG LEU 66 -12.085 4.901 2.268 448 HD11 LEU 66 HD11 LEU 66 -10.835 5.677 0.294 449 HD12 LEU 66 HD12 LEU 66 -12.444 5.089 -0.152 450 HD13 LEU 66 HD13 LEU 66 -11.018 4.075 -0.462 451 HD21 LEU 66 HD21 LEU 66 -12.129 2.208 0.834 452 HD22 LEU 66 HD22 LEU 66 -13.521 3.280 1.091 453 HD23 LEU 66 HD23 LEU 66 -12.733 2.519 2.478 454 H ILE 67 H ILE 67 -8.909 4.924 5.066 455 HA ILE 67 HA ILE 67 -6.243 4.020 4.803 456 HB ILE 67 HB ILE 67 -7.393 5.462 7.216 457 HG12 ILE 67 HG12 ILE 67 -8.044 6.749 5.256 458 HG13 ILE 67 HG13 ILE 67 -6.807 7.581 6.177 459 HG21 ILE 67 HG21 ILE 67 -4.564 5.264 6.107 460 HG22 ILE 67 HG22 ILE 67 -5.070 6.430 7.346 461 HG23 ILE 67 HG23 ILE 67 -5.159 4.704 7.681 462 HD11 ILE 67 HD11 ILE 67 -6.407 7.829 3.798 463 HD12 ILE 67 HD12 ILE 67 -5.104 6.846 4.478 464 HD13 ILE 67 HD13 ILE 67 -6.433 6.087 3.560 465 H GLU 68 H GLU 68 -8.607 3.213 7.350 466 HA GLU 68 HA GLU 68 -7.150 1.415 8.924 467 HB2 GLU 68 HB2 GLU 68 -9.507 2.178 9.311 468 HB3 GLU 68 HB3 GLU 68 -10.024 1.195 7.959 469 HG2 GLU 68 HG2 GLU 68 -10.602 -0.160 9.714 470 HG3 GLU 68 HG3 GLU 68 -9.033 -0.831 9.312 471 H ALA 69 H ALA 69 -8.962 0.646 5.937 472 HA ALA 69 HA ALA 69 -8.063 -2.062 5.708 473 HB1 ALA 69 HB1 ALA 69 -10.141 -1.226 4.723 474 HB2 ALA 69 HB2 ALA 69 -9.229 -0.180 3.615 475 HB3 ALA 69 HB3 ALA 69 -9.087 -1.940 3.484 476 H HIS 70 H HIS 70 -6.741 0.979 4.302 477 HA HIS 70 HA HIS 70 -4.803 -0.138 2.575 478 HB2 HIS 70 HB2 HIS 70 -4.426 2.353 4.297 479 HB3 HIS 70 HB3 HIS 70 -3.494 1.906 2.887 480 HD1 HIS 70 HD1 HIS 70 -6.836 1.347 1.648 481 HD2 HIS 70 HD2 HIS 70 -4.574 4.739 2.662 482 HE1 HIS 70 HE1 HIS 70 -7.833 3.390 0.412 483 H LYS 71 H LYS 71 -4.271 0.899 6.028 484 HA LYS 71 HA LYS 71 -1.793 -0.532 6.092 485 HB2 LYS 71 HB2 LYS 71 -1.515 0.219 8.302 486 HB3 LYS 71 HB3 LYS 71 -2.212 1.524 7.347 487 HG2 LYS 71 HG2 LYS 71 -4.467 0.987 8.342 488 HG3 LYS 71 HG3 LYS 71 -3.680 -0.253 9.333 489 HD2 LYS 71 HD2 LYS 71 -2.240 1.477 10.380 490 HD3 LYS 71 HD3 LYS 71 -2.974 2.715 9.351 491 HE2 LYS 71 HE2 LYS 71 -3.965 2.841 11.543 492 HE3 LYS 71 HE3 LYS 71 -5.183 2.291 10.385 493 HZ1 LYS 71 HZ1 LYS 71 -5.205 0.990 12.452 494 HZ2 LYS 71 HZ2 LYS 71 -3.654 0.523 12.230 495 HZ3 LYS 71 HZ3 LYS 71 -4.827 0.025 11.183 496 H GLU 72 H GLU 72 -5.010 -1.597 7.149 497 HA GLU 72 HA GLU 72 -4.225 -3.979 8.493 498 HB2 GLU 72 HB2 GLU 72 -6.537 -3.082 8.458 499 HB3 GLU 72 HB3 GLU 72 -6.659 -3.462 6.737 500 HG2 GLU 72 HG2 GLU 72 -6.302 -5.910 7.396 501 HG3 GLU 72 HG3 GLU 72 -6.450 -5.386 9.076 502 H SER 73 H SER 73 -5.105 -3.591 5.026 503 HA SER 73 HA SER 73 -4.365 -6.274 4.327 504 HB2 SER 73 HB2 SER 73 -4.701 -5.589 2.022 505 HB3 SER 73 HB3 SER 73 -6.036 -5.043 3.051 506 HG SER 73 HG SER 73 -5.234 -2.982 3.012 507 H MET 74 H MET 74 -2.581 -3.134 3.743 508 HA MET 74 HA MET 74 -0.402 -4.485 2.553 509 HB2 MET 74 HB2 MET 74 -0.727 -2.173 2.151 510 HB3 MET 74 HB3 MET 74 -0.579 -1.750 3.834 511 HG2 MET 74 HG2 MET 74 1.677 -3.093 2.297 512 HG3 MET 74 HG3 MET 74 1.436 -1.359 2.239 513 HE1 MET 74 HE1 MET 74 2.161 0.356 4.013 514 HE2 MET 74 HE2 MET 74 0.820 -0.253 5.015 515 HE3 MET 74 HE3 MET 74 2.440 -0.052 5.719 516 H ARG 75 H ARG 75 -0.787 -3.688 6.125 517 HA ARG 75 HA ARG 75 1.645 -5.021 6.680 518 HB2 ARG 75 HB2 ARG 75 0.591 -3.498 8.263 519 HB3 ARG 75 HB3 ARG 75 -0.753 -4.628 8.492 520 HG2 ARG 75 HG2 ARG 75 0.857 -4.726 10.354 521 HG3 ARG 75 HG3 ARG 75 0.715 -6.269 9.523 522 HD2 ARG 75 HD2 ARG 75 2.842 -5.667 8.244 523 HD3 ARG 75 HD3 ARG 75 3.000 -4.264 9.309 524 HE ARG 75 HE ARG 75 2.839 -6.109 11.169 525 HH11 ARG 75 HH11 ARG 75 4.583 -6.481 8.073 526 HH12 ARG 75 HH12 ARG 75 5.686 -7.671 8.728 527 HH21 ARG 75 HH21 ARG 75 4.276 -7.658 11.954 528 HH22 ARG 75 HH22 ARG 75 5.511 -8.336 10.915 529 H ALA 76 H ALA 76 -1.675 -6.456 6.361 530 HA ALA 76 HA ALA 76 -0.984 -9.073 7.172 531 HB1 ALA 76 HB1 ALA 76 -3.297 -8.362 6.661 532 HB2 ALA 76 HB2 ALA 76 -2.894 -8.221 4.942 533 HB3 ALA 76 HB3 ALA 76 -2.858 -9.800 5.738 534 H LEU 77 H LEU 77 -0.859 -7.776 3.799 535 HA LEU 77 HA LEU 77 0.537 -9.953 2.645 536 HB2 LEU 77 HB2 LEU 77 0.168 -7.031 1.957 537 HB3 LEU 77 HB3 LEU 77 1.379 -7.960 1.084 538 HG LEU 77 HG LEU 77 -0.247 -9.553 0.289 539 HD11 LEU 77 HD11 LEU 77 -2.674 -9.246 0.577 540 HD12 LEU 77 HD12 LEU 77 -2.387 -7.916 1.709 541 HD13 LEU 77 HD13 LEU 77 -1.902 -9.575 2.132 542 HD21 LEU 77 HD21 LEU 77 -1.274 -6.713 -0.113 543 HD22 LEU 77 HD22 LEU 77 -1.534 -8.093 -1.196 544 HD23 LEU 77 HD23 LEU 77 0.096 -7.434 -0.981 545 H GLY 78 H GLY 78 1.876 -6.988 4.134 546 HA2 GLY 78 HA2 GLY 78 4.630 -7.484 3.771 547 HA3 GLY 78 HA3 GLY 78 3.911 -6.522 5.067 548 H PHE 79 H PHE 79 2.530 -8.600 6.466 549 HA PHE 79 HA PHE 79 4.669 -9.934 7.864 550 HB2 PHE 79 HB2 PHE 79 2.627 -9.060 8.948 551 HB3 PHE 79 HB3 PHE 79 1.658 -10.236 8.076 552 HD1 PHE 79 HD1 PHE 79 4.953 -10.760 9.898 553 HD2 PHE 79 HD2 PHE 79 0.709 -11.534 9.794 554 HE1 PHE 79 HE1 PHE 79 5.188 -12.302 11.819 555 HE2 PHE 79 HE2 PHE 79 0.951 -13.062 11.732 556 HZ PHE 79 HZ PHE 79 3.189 -13.455 12.748 557 H LYS 80 H LYS 80 2.221 -11.093 5.509 558 HA LYS 80 HA LYS 80 3.081 -13.839 5.547 559 HB2 LYS 80 HB2 LYS 80 1.597 -12.169 3.482 560 HB3 LYS 80 HB3 LYS 80 1.900 -13.901 3.303 561 HG2 LYS 80 HG2 LYS 80 0.683 -14.380 5.389 562 HG3 LYS 80 HG3 LYS 80 0.365 -12.660 5.637 563 HD2 LYS 80 HD2 LYS 80 -0.915 -12.596 3.482 564 HD3 LYS 80 HD3 LYS 80 -0.554 -14.311 3.255 565 HE2 LYS 80 HE2 LYS 80 -2.671 -14.447 4.133 566 HE3 LYS 80 HE3 LYS 80 -1.683 -14.668 5.577 567 HZ1 LYS 80 HZ1 LYS 80 -3.517 -13.098 5.897 568 HZ2 LYS 80 HZ2 LYS 80 -2.956 -12.119 4.725 569 HZ3 LYS 80 HZ3 LYS 80 -2.094 -12.316 6.123 570 H ILE 81 H ILE 81 4.335 -11.085 3.732 571 HA ILE 81 HA ILE 81 6.056 -12.541 1.972 572 HB ILE 81 HB ILE 81 6.028 -9.672 2.920 573 HG12 ILE 81 HG12 ILE 81 5.563 -10.796 0.120 574 HG13 ILE 81 HG13 ILE 81 4.272 -10.771 1.302 575 HG21 ILE 81 HG21 ILE 81 8.395 -10.189 2.351 576 HG22 ILE 81 HG22 ILE 81 7.881 -10.879 0.800 577 HG23 ILE 81 HG23 ILE 81 7.680 -9.145 1.146 578 HD11 ILE 81 HD11 ILE 81 4.475 -8.309 1.527 579 HD12 ILE 81 HD12 ILE 81 5.744 -8.317 0.298 580 HD13 ILE 81 HD13 ILE 81 4.102 -8.818 -0.129 Start of MODEL 14 1 H ASN 1 H ASN 1 -12.151 7.021 -13.530 2 HA ASN 1 HA ASN 1 -12.385 5.327 -15.888 3 HB2 ASN 1 HB2 ASN 1 -10.942 6.633 -17.131 4 HB3 ASN 1 HB3 ASN 1 -12.307 7.631 -16.605 5 HD21 ASN 1 HD21 ASN 1 -11.659 8.771 -14.204 6 HD22 ASN 1 HD22 ASN 1 -9.971 9.204 -14.162 7 H GLY 2 H GLY 2 -11.807 3.735 -14.113 8 HA2 GLY 2 HA2 GLY 2 -10.318 2.252 -13.116 9 HA3 GLY 2 HA3 GLY 2 -9.022 2.955 -14.087 10 H ASN 3 H ASN 3 -9.015 5.417 -13.274 11 HA ASN 3 HA ASN 3 -7.535 6.292 -11.294 12 HB2 ASN 3 HB2 ASN 3 -8.928 7.616 -12.909 13 HB3 ASN 3 HB3 ASN 3 -10.313 7.333 -11.811 14 HD21 ASN 3 HD21 ASN 3 -7.210 9.071 -12.024 15 HD22 ASN 3 HD22 ASN 3 -7.865 10.394 -11.042 16 H ILE 4 H ILE 4 -7.404 6.702 -9.237 17 HA ILE 4 HA ILE 4 -9.490 5.876 -7.306 18 HB ILE 4 HB ILE 4 -6.572 6.724 -7.186 19 HG12 ILE 4 HG12 ILE 4 -6.441 4.681 -5.677 20 HG13 ILE 4 HG13 ILE 4 -8.078 4.270 -6.161 21 HG21 ILE 4 HG21 ILE 4 -6.760 6.590 -4.708 22 HG22 ILE 4 HG22 ILE 4 -7.434 8.010 -5.456 23 HG23 ILE 4 HG23 ILE 4 -8.527 6.702 -4.892 24 HD11 ILE 4 HD11 ILE 4 -6.344 3.050 -7.423 25 HD12 ILE 4 HD12 ILE 4 -7.219 4.102 -8.542 26 HD13 ILE 4 HD13 ILE 4 -5.601 4.576 -7.934 27 H ASN 5 H ASN 5 -7.901 8.797 -8.349 28 HA ASN 5 HA ASN 5 -8.154 10.997 -7.896 29 HB2 ASN 5 HB2 ASN 5 -10.611 10.503 -8.347 30 HB3 ASN 5 HB3 ASN 5 -10.848 10.475 -6.610 31 HD21 ASN 5 HD21 ASN 5 -9.396 12.626 -9.135 32 HD22 ASN 5 HD22 ASN 5 -9.742 14.089 -8.218 33 H TRP 6 H TRP 6 -6.546 11.341 -6.599 34 HA TRP 6 HA TRP 6 -6.358 10.342 -3.875 35 HB2 TRP 6 HB2 TRP 6 -4.443 12.225 -5.271 36 HB3 TRP 6 HB3 TRP 6 -4.097 11.084 -3.978 37 HD1 TRP 6 HD1 TRP 6 -3.850 11.436 -7.590 38 HE1 TRP 6 HE1 TRP 6 -3.444 9.187 -8.814 39 HE3 TRP 6 HE3 TRP 6 -4.707 8.309 -3.709 40 HZ2 TRP 6 HZ2 TRP 6 -3.181 6.392 -8.029 41 HZ3 TRP 6 HZ3 TRP 6 -4.311 5.885 -3.937 42 HH2 TRP 6 HH2 TRP 6 -3.649 4.893 -6.112 43 H ASN 7 H ASN 7 -7.918 12.988 -5.015 44 HA ASN 7 HA ASN 7 -7.345 15.036 -3.072 45 HB2 ASN 7 HB2 ASN 7 -8.419 15.376 -5.313 46 HB3 ASN 7 HB3 ASN 7 -9.852 14.525 -4.725 47 HD21 ASN 7 HD21 ASN 7 -7.772 17.355 -4.039 48 HD22 ASN 7 HD22 ASN 7 -9.071 18.265 -3.281 49 H SER 8 H SER 8 -9.400 12.163 -2.887 50 HA SER 8 HA SER 8 -11.059 12.998 -0.741 51 HB2 SER 8 HB2 SER 8 -10.220 10.175 -1.441 52 HB3 SER 8 HB3 SER 8 -11.635 10.672 -0.485 53 HG SER 8 HG SER 8 -12.373 10.434 -2.569 54 HA PRO 9 HA PRO 9 -7.843 13.746 1.974 55 HB2 PRO 9 HB2 PRO 9 -9.716 13.259 4.298 56 HB3 PRO 9 HB3 PRO 9 -8.620 14.637 4.017 57 HG2 PRO 9 HG2 PRO 9 -11.227 14.868 3.477 58 HG3 PRO 9 HG3 PRO 9 -10.031 15.511 2.305 59 HD2 PRO 9 HD2 PRO 9 -11.595 12.935 2.163 60 HD3 PRO 9 HD3 PRO 9 -11.199 14.115 0.884 61 H CYS 10 H CYS 10 -9.485 10.768 3.076 62 HA CYS 10 HA CYS 10 -7.383 10.055 4.944 63 HB2 CYS 10 HB2 CYS 10 -9.972 8.890 4.018 64 HB3 CYS 10 HB3 CYS 10 -8.802 7.798 4.665 65 H LEU 11 H LEU 11 -8.453 8.423 1.958 66 HA LEU 11 HA LEU 11 -6.121 6.836 1.468 67 HB2 LEU 11 HB2 LEU 11 -8.427 6.647 0.506 68 HB3 LEU 11 HB3 LEU 11 -8.106 8.035 -0.520 69 HG LEU 11 HG LEU 11 -6.741 5.293 -0.529 70 HD11 LEU 11 HD11 LEU 11 -8.808 6.588 -2.365 71 HD12 LEU 11 HD12 LEU 11 -9.097 5.235 -1.253 72 HD13 LEU 11 HD13 LEU 11 -8.030 5.025 -2.653 73 HD21 LEU 11 HD21 LEU 11 -6.532 7.672 -2.428 74 HD22 LEU 11 HD22 LEU 11 -5.996 6.010 -2.775 75 HD23 LEU 11 HD23 LEU 11 -5.198 6.918 -1.504 76 H GLY 12 H GLY 12 -6.959 10.151 0.357 77 HA2 GLY 12 HA2 GLY 12 -4.690 10.784 -1.154 78 HA3 GLY 12 HA3 GLY 12 -5.618 11.931 -0.178 79 H GLY 13 H GLY 13 -5.005 10.893 2.438 80 HA2 GLY 13 HA2 GLY 13 -2.409 11.972 2.983 81 HA3 GLY 13 HA3 GLY 13 -3.400 11.014 4.089 82 H MET 14 H MET 14 -3.515 8.573 2.586 83 HA MET 14 HA MET 14 -0.940 7.352 3.061 84 HB2 MET 14 HB2 MET 14 -3.076 6.226 1.232 85 HB3 MET 14 HB3 MET 14 -1.868 5.377 2.187 86 HG2 MET 14 HG2 MET 14 -4.268 6.864 3.282 87 HG3 MET 14 HG3 MET 14 -4.177 5.148 2.986 88 HE1 MET 14 HE1 MET 14 -1.756 3.859 5.770 89 HE2 MET 14 HE2 MET 14 -2.864 3.412 4.453 90 HE3 MET 14 HE3 MET 14 -1.328 4.236 4.094 91 H ALA 15 H ALA 15 -2.662 8.290 0.129 92 HA ALA 15 HA ALA 15 -0.467 7.894 -1.673 93 HB1 ALA 15 HB1 ALA 15 -3.156 9.249 -2.058 94 HB2 ALA 15 HB2 ALA 15 -2.019 8.862 -3.349 95 HB3 ALA 15 HB3 ALA 15 -2.695 7.552 -2.390 96 H SER 16 H SER 16 -0.162 9.885 0.591 97 HA SER 16 HA SER 16 1.308 11.990 -0.980 98 HB2 SER 16 HB2 SER 16 -0.028 12.279 1.748 99 HB3 SER 16 HB3 SER 16 1.008 13.492 0.979 100 HG SER 16 HG SER 16 -1.469 12.478 0.026 101 H GLY 17 H GLY 17 3.299 12.781 0.248 102 HA2 GLY 17 HA2 GLY 17 4.981 12.428 1.967 103 HA3 GLY 17 HA3 GLY 17 4.265 10.911 2.330 104 HA PRO 18 HA PRO 18 8.443 10.483 0.119 105 HB2 PRO 18 HB2 PRO 18 8.591 8.504 2.383 106 HB3 PRO 18 HB3 PRO 18 9.857 9.606 1.771 107 HG2 PRO 18 HG2 PRO 18 8.409 10.094 4.031 108 HG3 PRO 18 HG3 PRO 18 8.960 11.436 2.969 109 HD2 PRO 18 HD2 PRO 18 6.282 10.142 3.310 110 HD3 PRO 18 HD3 PRO 18 6.711 11.847 2.958 111 H CYS 19 H CYS 19 6.131 8.068 1.287 112 HA CYS 19 HA CYS 19 6.909 6.206 -0.911 113 HB2 CYS 19 HB2 CYS 19 5.424 5.597 1.642 114 HB3 CYS 19 HB3 CYS 19 5.964 4.446 0.407 115 H GLY 20 H GLY 20 4.841 8.593 -0.688 116 HA2 GLY 20 HA2 GLY 20 2.224 7.879 -1.223 117 HA3 GLY 20 HA3 GLY 20 3.060 9.158 -2.078 118 H GLU 21 H GLU 21 4.793 7.789 -3.759 119 HA GLU 21 HA GLU 21 2.985 6.788 -5.765 120 HB2 GLU 21 HB2 GLU 21 6.034 6.853 -5.520 121 HB3 GLU 21 HB3 GLU 21 5.190 6.152 -6.913 122 HG2 GLU 21 HG2 GLU 21 3.836 8.179 -7.102 123 HG3 GLU 21 HG3 GLU 21 4.807 8.966 -5.848 124 H GLN 22 H GLN 22 4.917 4.928 -3.352 125 HA GLN 22 HA GLN 22 4.271 2.466 -4.639 126 HB2 GLN 22 HB2 GLN 22 4.444 2.563 -1.668 127 HB3 GLN 22 HB3 GLN 22 5.090 1.402 -2.821 128 HG2 GLN 22 HG2 GLN 22 6.199 4.076 -1.967 129 HG3 GLN 22 HG3 GLN 22 6.840 2.502 -1.664 130 HE21 GLN 22 HE21 GLN 22 7.429 5.222 -3.301 131 HE22 GLN 22 HE22 GLN 22 8.277 4.577 -4.695 132 H PHE 23 H PHE 23 2.423 4.533 -2.327 133 HA PHE 23 HA PHE 23 0.156 2.781 -2.241 134 HB2 PHE 23 HB2 PHE 23 0.698 4.921 -0.763 135 HB3 PHE 23 HB3 PHE 23 -0.167 5.766 -2.017 136 HD1 PHE 23 HD1 PHE 23 -2.594 5.350 -2.397 137 HD2 PHE 23 HD2 PHE 23 -0.448 3.365 0.757 138 HE1 PHE 23 HE1 PHE 23 -4.714 4.587 -1.429 139 HE2 PHE 23 HE2 PHE 23 -2.581 2.539 1.693 140 HZ PHE 23 HZ PHE 23 -4.741 3.138 0.589 141 H LYS 24 H LYS 24 0.863 5.593 -4.416 142 HA LYS 24 HA LYS 24 -1.488 5.540 -5.947 143 HB2 LYS 24 HB2 LYS 24 1.230 5.997 -7.174 144 HB3 LYS 24 HB3 LYS 24 -0.248 6.559 -7.776 145 HG2 LYS 24 HG2 LYS 24 0.992 7.619 -5.221 146 HG3 LYS 24 HG3 LYS 24 1.110 8.342 -6.820 147 HD2 LYS 24 HD2 LYS 24 -1.393 8.467 -6.862 148 HD3 LYS 24 HD3 LYS 24 -1.440 7.845 -5.241 149 HE2 LYS 24 HE2 LYS 24 -1.690 10.290 -5.249 150 HE3 LYS 24 HE3 LYS 24 -0.215 9.808 -4.402 151 HZ1 LYS 24 HZ1 LYS 24 1.106 10.569 -6.153 152 HZ2 LYS 24 HZ2 LYS 24 -0.003 11.734 -5.934 153 HZ3 LYS 24 HZ3 LYS 24 -0.153 10.703 -7.223 154 H SER 25 H SER 25 1.473 3.774 -6.414 155 HA SER 25 HA SER 25 0.641 2.338 -8.757 156 HB2 SER 25 HB2 SER 25 2.854 3.122 -8.334 157 HB3 SER 25 HB3 SER 25 3.050 2.135 -6.923 158 HG SER 25 HG SER 25 3.884 1.343 -9.042 159 H ALA 26 H ALA 26 0.955 1.228 -5.311 160 HA ALA 26 HA ALA 26 -0.015 -1.398 -5.825 161 HB1 ALA 26 HB1 ALA 26 -0.493 -1.428 -3.392 162 HB2 ALA 26 HB2 ALA 26 1.105 -0.743 -3.731 163 HB3 ALA 26 HB3 ALA 26 -0.252 0.325 -3.317 164 H PHE 27 H PHE 27 -1.903 1.533 -4.840 165 HA PHE 27 HA PHE 27 -4.326 0.001 -4.988 166 HB2 PHE 27 HB2 PHE 27 -3.563 2.259 -3.618 167 HB3 PHE 27 HB3 PHE 27 -4.623 2.936 -4.842 168 HD1 PHE 27 HD1 PHE 27 -4.680 -0.298 -2.853 169 HD2 PHE 27 HD2 PHE 27 -6.655 3.444 -3.691 170 HE1 PHE 27 HE1 PHE 27 -6.607 -0.997 -1.457 171 HE2 PHE 27 HE2 PHE 27 -8.547 2.761 -2.198 172 HZ PHE 27 HZ PHE 27 -8.545 0.511 -1.169 173 H SER 28 H SER 28 -2.957 2.382 -7.346 174 HA SER 28 HA SER 28 -5.066 2.035 -9.263 175 HB2 SER 28 HB2 SER 28 -3.578 2.814 -10.918 176 HB3 SER 28 HB3 SER 28 -3.292 3.744 -9.451 177 HG SER 28 HG SER 28 -1.391 2.909 -9.236 178 H CYS 29 H CYS 29 -1.996 0.060 -8.919 179 HA CYS 29 HA CYS 29 -2.644 -1.822 -10.855 180 HB2 CYS 29 HB2 CYS 29 -0.520 -1.682 -9.596 181 HB3 CYS 29 HB3 CYS 29 -1.254 -2.430 -8.196 182 H PHE 30 H PHE 30 -3.735 -1.942 -7.364 183 HA PHE 30 HA PHE 30 -5.337 -4.216 -7.803 184 HB2 PHE 30 HB2 PHE 30 -4.735 -3.517 -5.557 185 HB3 PHE 30 HB3 PHE 30 -5.704 -2.042 -5.725 186 HD1 PHE 30 HD1 PHE 30 -6.021 -5.784 -6.129 187 HD2 PHE 30 HD2 PHE 30 -8.012 -2.092 -5.117 188 HE1 PHE 30 HE1 PHE 30 -8.136 -7.021 -5.767 189 HE2 PHE 30 HE2 PHE 30 -10.135 -3.336 -4.795 190 HZ PHE 30 HZ PHE 30 -10.204 -5.794 -5.123 191 H HIS 31 H HIS 31 -6.404 -0.734 -8.161 192 HA HIS 31 HA HIS 31 -9.078 -1.587 -8.751 193 HB2 HIS 31 HB2 HIS 31 -7.666 1.057 -9.108 194 HB3 HIS 31 HB3 HIS 31 -9.344 0.792 -9.605 195 HD1 HIS 31 HD1 HIS 31 -7.228 0.721 -6.399 196 HD2 HIS 31 HD2 HIS 31 -11.215 0.570 -7.703 197 HE1 HIS 31 HE1 HIS 31 -8.684 0.751 -4.289 198 H TYR 32 H TYR 32 -6.326 -1.226 -10.986 199 HA TYR 32 HA TYR 32 -7.968 -2.032 -13.241 200 HB2 TYR 32 HB2 TYR 32 -4.998 -1.856 -12.740 201 HB3 TYR 32 HB3 TYR 32 -5.638 -2.614 -14.193 202 HD1 TYR 32 HD1 TYR 32 -5.778 0.596 -12.242 203 HD2 TYR 32 HD2 TYR 32 -6.384 -1.329 -16.046 204 HE1 TYR 32 HE1 TYR 32 -6.200 2.785 -13.239 205 HE2 TYR 32 HE2 TYR 32 -6.820 0.880 -17.077 206 HH TYR 32 HH TYR 32 -7.220 3.057 -16.701 207 H SER 33 H SER 33 -6.602 -3.810 -10.615 208 HA SER 33 HA SER 33 -6.796 -6.444 -11.864 209 HB2 SER 33 HB2 SER 33 -5.169 -5.806 -9.958 210 HB3 SER 33 HB3 SER 33 -6.560 -5.857 -8.888 211 HG SER 33 HG SER 33 -5.595 -7.951 -10.546 212 H THR 34 H THR 34 -8.493 -5.158 -9.004 213 HA THR 34 HA THR 34 -10.469 -5.649 -8.007 214 HB THR 34 HB THR 34 -12.559 -5.630 -9.383 215 HG1 THR 34 HG1 THR 34 -10.866 -6.138 -11.355 216 HG21 THR 34 HG21 THR 34 -12.320 -3.284 -10.067 217 HG22 THR 34 HG22 THR 34 -10.550 -3.414 -9.917 218 HG23 THR 34 HG23 THR 34 -11.575 -3.560 -8.485 219 H GLU 35 H GLU 35 -8.806 -7.849 -8.299 220 HA GLU 35 HA GLU 35 -10.070 -10.037 -9.644 221 HB2 GLU 35 HB2 GLU 35 -7.581 -9.573 -8.045 222 HB3 GLU 35 HB3 GLU 35 -8.151 -11.212 -8.035 223 HG2 GLU 35 HG2 GLU 35 -7.583 -9.584 -10.537 224 HG3 GLU 35 HG3 GLU 35 -6.545 -10.847 -9.861 225 H GLU 36 H GLU 36 -9.335 -9.925 -6.186 226 HA GLU 36 HA GLU 36 -12.065 -10.487 -5.374 227 HB2 GLU 36 HB2 GLU 36 -11.241 -12.782 -6.128 228 HB3 GLU 36 HB3 GLU 36 -10.044 -12.716 -4.836 229 HG2 GLU 36 HG2 GLU 36 -11.829 -12.548 -3.157 230 HG3 GLU 36 HG3 GLU 36 -13.048 -12.468 -4.433 231 H ILE 37 H ILE 37 -8.671 -10.725 -4.506 232 HA ILE 37 HA ILE 37 -9.114 -9.547 -1.771 233 HB ILE 37 HB ILE 37 -6.922 -11.317 -2.887 234 HG12 ILE 37 HG12 ILE 37 -8.933 -12.625 -2.600 235 HG13 ILE 37 HG13 ILE 37 -7.640 -13.084 -1.524 236 HG21 ILE 37 HG21 ILE 37 -5.863 -9.967 -1.243 237 HG22 ILE 37 HG22 ILE 37 -7.202 -10.194 -0.086 238 HG23 ILE 37 HG23 ILE 37 -6.132 -11.546 -0.526 239 HD11 ILE 37 HD11 ILE 37 -8.794 -11.937 0.370 240 HD12 ILE 37 HD12 ILE 37 -10.078 -11.408 -0.746 241 HD13 ILE 37 HD13 ILE 37 -9.848 -13.131 -0.402 242 H LYS 38 H LYS 38 -7.735 -7.759 -1.109 243 HA LYS 38 HA LYS 38 -6.758 -6.008 -3.115 244 HB2 LYS 38 HB2 LYS 38 -5.713 -6.270 -0.262 245 HB3 LYS 38 HB3 LYS 38 -5.401 -4.942 -1.357 246 HG2 LYS 38 HG2 LYS 38 -7.861 -5.520 0.235 247 HG3 LYS 38 HG3 LYS 38 -6.871 -4.086 0.099 248 HD2 LYS 38 HD2 LYS 38 -8.865 -3.471 -0.929 249 HD3 LYS 38 HD3 LYS 38 -7.788 -3.796 -2.273 250 HE2 LYS 38 HE2 LYS 38 -10.035 -4.628 -2.713 251 HE3 LYS 38 HE3 LYS 38 -8.907 -5.977 -2.661 252 HZ1 LYS 38 HZ1 LYS 38 -9.747 -6.544 -0.475 253 HZ2 LYS 38 HZ2 LYS 38 -11.047 -6.343 -1.453 254 HZ3 LYS 38 HZ3 LYS 38 -10.625 -5.166 -0.381 255 H GLY 39 H GLY 39 -5.123 -6.288 -4.540 256 HA2 GLY 39 HA2 GLY 39 -2.883 -6.324 -5.096 257 HA3 GLY 39 HA3 GLY 39 -2.469 -6.755 -3.443 258 H SER 40 H SER 40 -4.694 -9.045 -4.563 259 HA SER 40 HA SER 40 -2.948 -11.235 -4.356 260 HB2 SER 40 HB2 SER 40 -4.873 -12.474 -5.330 261 HB3 SER 40 HB3 SER 40 -5.371 -11.255 -4.180 262 HG SER 40 HG SER 40 -6.567 -11.380 -6.157 263 H ASP 41 H ASP 41 -3.443 -9.297 -7.189 264 HA ASP 41 HA ASP 41 -1.451 -10.961 -8.654 265 HB2 ASP 41 HB2 ASP 41 -3.860 -11.224 -9.420 266 HB3 ASP 41 HB3 ASP 41 -3.827 -9.533 -9.901 267 H CYS 42 H CYS 42 -1.084 -8.682 -6.962 268 HA CYS 42 HA CYS 42 0.320 -6.695 -8.669 269 HB2 CYS 42 HB2 CYS 42 -2.114 -6.174 -6.960 270 HB3 CYS 42 HB3 CYS 42 -0.935 -4.889 -7.196 271 H VAL 43 H VAL 43 0.701 -8.702 -6.197 272 HA VAL 43 HA VAL 43 1.010 -7.112 -3.906 273 HB VAL 43 HB VAL 43 0.483 -9.386 -3.702 274 HG11 VAL 43 HG11 VAL 43 2.069 -11.206 -4.106 275 HG12 VAL 43 HG12 VAL 43 1.642 -10.360 -5.589 276 HG13 VAL 43 HG13 VAL 43 3.222 -10.048 -4.823 277 HG21 VAL 43 HG21 VAL 43 3.225 -9.042 -2.449 278 HG22 VAL 43 HG22 VAL 43 1.713 -8.349 -1.812 279 HG23 VAL 43 HG23 VAL 43 1.912 -10.106 -1.919 280 H ASP 44 H ASP 44 3.536 -7.730 -6.351 281 HA ASP 44 HA ASP 44 5.709 -6.952 -4.750 282 HB2 ASP 44 HB2 ASP 44 5.695 -7.948 -7.102 283 HB3 ASP 44 HB3 ASP 44 5.520 -6.295 -7.688 284 H GLN 45 H GLN 45 3.227 -4.856 -6.182 285 HA GLN 45 HA GLN 45 4.611 -2.368 -5.708 286 HB2 GLN 45 HB2 GLN 45 1.697 -3.039 -6.153 287 HB3 GLN 45 HB3 GLN 45 2.312 -1.407 -5.891 288 HG2 GLN 45 HG2 GLN 45 2.070 -1.785 -8.248 289 HG3 GLN 45 HG3 GLN 45 3.751 -1.539 -7.852 290 HE21 GLN 45 HE21 GLN 45 1.345 -4.066 -8.694 291 HE22 GLN 45 HE22 GLN 45 2.537 -5.220 -9.271 292 H PHE 46 H PHE 46 2.268 -4.252 -3.749 293 HA PHE 46 HA PHE 46 2.260 -2.510 -1.445 294 HB2 PHE 46 HB2 PHE 46 1.745 -5.497 -1.711 295 HB3 PHE 46 HB3 PHE 46 1.415 -4.555 -0.276 296 HD1 PHE 46 HD1 PHE 46 0.408 -4.751 -3.935 297 HD2 PHE 46 HD2 PHE 46 -0.703 -3.564 0.075 298 HE1 PHE 46 HE1 PHE 46 -1.849 -4.118 -4.727 299 HE2 PHE 46 HE2 PHE 46 -2.942 -2.967 -0.719 300 HZ PHE 46 HZ PHE 46 -3.533 -3.229 -3.132 301 H ARG 47 H ARG 47 4.235 -5.298 -2.366 302 HA ARG 47 HA ARG 47 5.984 -5.433 -0.183 303 HB2 ARG 47 HB2 ARG 47 5.743 -7.063 -2.058 304 HB3 ARG 47 HB3 ARG 47 6.684 -5.968 -3.078 305 HG2 ARG 47 HG2 ARG 47 8.635 -6.203 -1.615 306 HG3 ARG 47 HG3 ARG 47 7.705 -7.257 -0.525 307 HD2 ARG 47 HD2 ARG 47 7.306 -8.827 -2.432 308 HD3 ARG 47 HD3 ARG 47 8.276 -7.777 -3.476 309 HE ARG 47 HE ARG 47 9.705 -8.618 -1.100 310 HH11 ARG 47 HH11 ARG 47 8.782 -9.658 -4.386 311 HH12 ARG 47 HH12 ARG 47 10.092 -10.813 -4.501 312 HH21 ARG 47 HH21 ARG 47 11.393 -10.132 -1.302 313 HH22 ARG 47 HH22 ARG 47 11.566 -11.074 -2.767 314 H ALA 48 H ALA 48 6.302 -3.429 -3.142 315 HA ALA 48 HA ALA 48 8.644 -2.012 -2.379 316 HB1 ALA 48 HB1 ALA 48 7.769 -1.968 -4.631 317 HB2 ALA 48 HB2 ALA 48 6.340 -1.056 -4.070 318 HB3 ALA 48 HB3 ALA 48 7.957 -0.326 -3.937 319 H MET 49 H MET 49 5.163 -1.323 -1.705 320 HA MET 49 HA MET 49 5.580 1.116 -0.373 321 HB2 MET 49 HB2 MET 49 3.409 0.131 -1.189 322 HB3 MET 49 HB3 MET 49 3.388 -0.887 0.255 323 HG2 MET 49 HG2 MET 49 3.236 1.037 1.696 324 HG3 MET 49 HG3 MET 49 3.625 2.138 0.374 325 HE1 MET 49 HE1 MET 49 1.021 -0.945 0.509 326 HE2 MET 49 HE2 MET 49 0.972 -0.097 2.071 327 HE3 MET 49 HE3 MET 49 -0.423 -0.020 0.972 328 H GLN 50 H GLN 50 5.413 -2.153 1.198 329 HA GLN 50 HA GLN 50 6.265 -1.176 3.714 330 HB2 GLN 50 HB2 GLN 50 5.279 -3.356 3.411 331 HB3 GLN 50 HB3 GLN 50 6.647 -3.905 2.438 332 HG2 GLN 50 HG2 GLN 50 8.139 -3.838 4.338 333 HG3 GLN 50 HG3 GLN 50 6.988 -2.891 5.293 334 HE21 GLN 50 HE21 GLN 50 7.265 -6.118 3.661 335 HE22 GLN 50 HE22 GLN 50 6.309 -6.927 4.924 336 H GLU 51 H GLU 51 8.262 -2.433 1.064 337 HA GLU 51 HA GLU 51 10.882 -2.121 2.110 338 HB2 GLU 51 HB2 GLU 51 10.390 -3.310 0.116 339 HB3 GLU 51 HB3 GLU 51 9.585 -1.963 -0.612 340 HG2 GLU 51 HG2 GLU 51 11.471 -0.832 -1.238 341 HG3 GLU 51 HG3 GLU 51 12.548 -1.800 -0.191 342 H CYS 52 H CYS 52 8.793 0.354 0.737 343 HA CYS 52 HA CYS 52 10.821 2.446 1.026 344 HB2 CYS 52 HB2 CYS 52 9.170 2.491 -0.783 345 HB3 CYS 52 HB3 CYS 52 7.853 2.562 0.345 346 H MET 53 H MET 53 7.939 1.363 2.904 347 HA MET 53 HA MET 53 7.995 3.715 4.553 348 HB2 MET 53 HB2 MET 53 6.459 1.105 4.754 349 HB3 MET 53 HB3 MET 53 6.291 2.395 5.946 350 HG2 MET 53 HG2 MET 53 5.617 3.981 4.184 351 HG3 MET 53 HG3 MET 53 5.646 2.687 3.004 352 HE1 MET 53 HE1 MET 53 4.307 0.340 5.348 353 HE2 MET 53 HE2 MET 53 2.718 0.339 4.559 354 HE3 MET 53 HE3 MET 53 4.197 0.316 3.575 355 H GLN 54 H GLN 54 9.512 0.685 4.718 356 HA GLN 54 HA GLN 54 10.281 0.622 7.472 357 HB2 GLN 54 HB2 GLN 54 11.553 -1.284 6.730 358 HB3 GLN 54 HB3 GLN 54 10.041 -1.272 5.918 359 HG2 GLN 54 HG2 GLN 54 11.488 -1.908 4.272 360 HG3 GLN 54 HG3 GLN 54 11.288 -0.188 3.948 361 HE21 GLN 54 HE21 GLN 54 13.252 -0.783 2.666 362 HE22 GLN 54 HE22 GLN 54 14.812 -0.617 3.490 363 H LYS 55 H LYS 55 11.631 2.364 4.742 364 HA LYS 55 HA LYS 55 14.383 2.533 5.566 365 HB2 LYS 55 HB2 LYS 55 12.787 4.216 3.644 366 HB3 LYS 55 HB3 LYS 55 14.521 4.357 3.932 367 HG2 LYS 55 HG2 LYS 55 14.518 1.741 3.490 368 HG3 LYS 55 HG3 LYS 55 13.022 2.116 2.615 369 HD2 LYS 55 HD2 LYS 55 15.824 3.199 2.155 370 HD3 LYS 55 HD3 LYS 55 14.936 2.124 1.083 371 HE2 LYS 55 HE2 LYS 55 13.304 3.871 0.582 372 HE3 LYS 55 HE3 LYS 55 13.981 4.888 1.865 373 HZ1 LYS 55 HZ1 LYS 55 15.420 4.143 -0.625 374 HZ2 LYS 55 HZ2 LYS 55 16.027 5.071 0.606 375 HZ3 LYS 55 HZ3 LYS 55 14.781 5.613 -0.313 376 H TYR 56 H TYR 56 11.684 4.513 6.591 377 HA TYR 56 HA TYR 56 13.613 6.677 7.355 378 HB2 TYR 56 HB2 TYR 56 10.761 7.235 6.689 379 HB3 TYR 56 HB3 TYR 56 12.164 8.257 6.830 380 HD1 TYR 56 HD1 TYR 56 14.296 7.103 5.365 381 HD2 TYR 56 HD2 TYR 56 10.086 7.033 4.385 382 HE1 TYR 56 HE1 TYR 56 14.851 7.086 2.983 383 HE2 TYR 56 HE2 TYR 56 10.658 6.967 1.965 384 HH TYR 56 HH TYR 56 12.332 7.228 0.413 385 HA PRO 57 HA PRO 57 11.648 6.049 11.424 386 HB2 PRO 57 HB2 PRO 57 13.483 7.373 12.949 387 HB3 PRO 57 HB3 PRO 57 13.778 5.761 12.236 388 HG2 PRO 57 HG2 PRO 57 14.751 8.446 11.226 389 HG3 PRO 57 HG3 PRO 57 15.637 6.896 11.295 390 HD2 PRO 57 HD2 PRO 57 14.408 7.847 9.023 391 HD3 PRO 57 HD3 PRO 57 14.707 6.123 9.370 392 H ASP 58 H ASP 58 11.938 9.095 9.671 393 HA ASP 58 HA ASP 58 10.634 10.718 11.736 394 HB2 ASP 58 HB2 ASP 58 13.453 10.114 11.795 395 HB3 ASP 58 HB3 ASP 58 13.257 11.843 11.601 396 H LEU 59 H LEU 59 11.535 10.289 8.601 397 HA LEU 59 HA LEU 59 12.513 12.942 7.963 398 HB2 LEU 59 HB2 LEU 59 13.580 11.806 6.358 399 HB3 LEU 59 HB3 LEU 59 13.055 10.428 7.172 400 HG LEU 59 HG LEU 59 12.713 9.858 5.051 401 HD11 LEU 59 HD11 LEU 59 10.459 9.500 4.663 402 HD12 LEU 59 HD12 LEU 59 9.951 11.021 5.390 403 HD13 LEU 59 HD13 LEU 59 10.538 9.707 6.417 404 HD21 LEU 59 HD21 LEU 59 11.806 11.088 3.233 405 HD22 LEU 59 HD22 LEU 59 13.142 11.996 3.966 406 HD23 LEU 59 HD23 LEU 59 11.455 12.485 4.259 407 H TYR 60 H TYR 60 9.492 11.973 8.372 408 HA TYR 60 HA TYR 60 8.137 12.764 5.897 409 HB2 TYR 60 HB2 TYR 60 7.096 11.753 8.552 410 HB3 TYR 60 HB3 TYR 60 6.132 11.946 7.108 411 HD1 TYR 60 HD1 TYR 60 8.930 9.969 8.696 412 HD2 TYR 60 HD2 TYR 60 6.164 10.306 5.414 413 HE1 TYR 60 HE1 TYR 60 9.318 7.690 8.244 414 HE2 TYR 60 HE2 TYR 60 6.614 7.989 4.785 415 HH TYR 60 HH TYR 60 8.421 5.814 7.037 416 H GLU 61 H GLU 61 -17.378 16.932 6.425 417 HA GLU 61 HA GLU 61 -18.266 16.050 4.325 418 HB2 GLU 61 HB2 GLU 61 -16.465 17.904 3.234 419 HB3 GLU 61 HB3 GLU 61 -15.699 16.363 2.929 420 HG2 GLU 61 HG2 GLU 61 -18.568 17.042 2.172 421 HG3 GLU 61 HG3 GLU 61 -17.184 17.245 1.100 422 H HIS 62 H HIS 62 -17.427 13.905 3.536 423 HA HIS 62 HA HIS 62 -16.298 12.367 5.644 424 HB2 HIS 62 HB2 HIS 62 -16.509 11.718 2.678 425 HB3 HIS 62 HB3 HIS 62 -16.186 10.553 3.956 426 HD1 HIS 62 HD1 HIS 62 -19.046 12.659 2.539 427 HD2 HIS 62 HD2 HIS 62 -18.285 9.689 5.413 428 HE1 HIS 62 HE1 HIS 62 -21.332 11.770 3.285 429 H CYS 63 H CYS 63 -14.256 11.652 6.124 430 HA CYS 63 HA CYS 63 -11.932 12.512 4.574 431 HB2 CYS 63 HB2 CYS 63 -11.950 12.375 7.026 432 HB3 CYS 63 HB3 CYS 63 -12.173 10.635 6.955 433 H GLY 64 H GLY 64 -13.340 9.294 5.376 434 HA2 GLY 64 HA2 GLY 64 -13.695 8.316 2.858 435 HA3 GLY 64 HA3 GLY 64 -11.991 7.957 3.140 436 H HIS 65 H HIS 65 -14.405 6.250 2.785 437 HA HIS 65 HA HIS 65 -15.055 4.864 5.213 438 HB2 HIS 65 HB2 HIS 65 -16.526 4.739 3.324 439 HB3 HIS 65 HB3 HIS 65 -15.238 4.193 2.251 440 HD1 HIS 65 HD1 HIS 65 -16.993 2.769 5.418 441 HD2 HIS 65 HD2 HIS 65 -15.256 1.652 1.768 442 HE1 HIS 65 HE1 HIS 65 -17.203 0.228 5.283 443 H LEU 66 H LEU 66 -12.389 4.425 2.921 444 HA LEU 66 HA LEU 66 -12.002 1.645 3.748 445 HB2 LEU 66 HB2 LEU 66 -10.621 3.310 1.609 446 HB3 LEU 66 HB3 LEU 66 -10.386 1.584 1.893 447 HG LEU 66 HG LEU 66 -13.087 2.769 1.159 448 HD11 LEU 66 HD11 LEU 66 -12.624 1.996 -1.114 449 HD12 LEU 66 HD12 LEU 66 -10.987 1.494 -0.644 450 HD13 LEU 66 HD13 LEU 66 -11.445 3.219 -0.630 451 HD21 LEU 66 HD21 LEU 66 -13.568 0.431 0.501 452 HD22 LEU 66 HD22 LEU 66 -13.148 0.516 2.219 453 HD23 LEU 66 HD23 LEU 66 -11.953 -0.065 1.046 454 H ILE 67 H ILE 67 -10.659 4.480 5.049 455 HA ILE 67 HA ILE 67 -7.942 3.976 4.892 456 HB ILE 67 HB ILE 67 -9.343 6.010 5.667 457 HG12 ILE 67 HG12 ILE 67 -7.041 6.200 5.070 458 HG13 ILE 67 HG13 ILE 67 -7.390 7.160 6.499 459 HG21 ILE 67 HG21 ILE 67 -10.205 5.151 7.770 460 HG22 ILE 67 HG22 ILE 67 -8.559 5.043 8.433 461 HG23 ILE 67 HG23 ILE 67 -9.248 6.613 8.000 462 HD11 ILE 67 HD11 ILE 67 -6.339 5.306 7.897 463 HD12 ILE 67 HD12 ILE 67 -5.797 4.592 6.351 464 HD13 ILE 67 HD13 ILE 67 -5.264 6.208 6.817 465 H GLU 68 H GLU 68 -9.993 2.856 7.682 466 HA GLU 68 HA GLU 68 -7.756 1.615 8.992 467 HB2 GLU 68 HB2 GLU 68 -10.738 1.086 9.234 468 HB3 GLU 68 HB3 GLU 68 -9.503 0.344 10.254 469 HG2 GLU 68 HG2 GLU 68 -8.729 2.629 10.946 470 HG3 GLU 68 HG3 GLU 68 -10.085 3.325 10.052 471 H ALA 69 H ALA 69 -9.864 0.479 6.432 472 HA ALA 69 HA ALA 69 -8.846 -2.243 6.449 473 HB1 ALA 69 HB1 ALA 69 -10.443 -0.779 4.307 474 HB2 ALA 69 HB2 ALA 69 -10.231 -2.530 4.480 475 HB3 ALA 69 HB3 ALA 69 -11.137 -1.632 5.706 476 H HIS 70 H HIS 70 -7.933 0.736 4.662 477 HA HIS 70 HA HIS 70 -5.907 -0.424 3.010 478 HB2 HIS 70 HB2 HIS 70 -5.809 2.286 4.417 479 HB3 HIS 70 HB3 HIS 70 -4.808 1.767 3.082 480 HD1 HIS 70 HD1 HIS 70 -7.726 0.676 1.501 481 HD2 HIS 70 HD2 HIS 70 -6.389 4.446 2.853 482 HE1 HIS 70 HE1 HIS 70 -8.863 2.458 0.078 483 H LYS 71 H LYS 71 -5.666 1.019 6.310 484 HA LYS 71 HA LYS 71 -2.957 0.266 6.740 485 HB2 LYS 71 HB2 LYS 71 -5.192 1.017 8.658 486 HB3 LYS 71 HB3 LYS 71 -3.540 0.666 9.194 487 HG2 LYS 71 HG2 LYS 71 -2.641 2.436 7.729 488 HG3 LYS 71 HG3 LYS 71 -4.273 2.817 7.157 489 HD2 LYS 71 HD2 LYS 71 -4.945 3.469 9.434 490 HD3 LYS 71 HD3 LYS 71 -3.337 3.033 10.054 491 HE2 LYS 71 HE2 LYS 71 -2.280 4.761 8.664 492 HE3 LYS 71 HE3 LYS 71 -3.826 5.127 7.894 493 HZ1 LYS 71 HZ1 LYS 71 -3.525 6.742 9.565 494 HZ2 LYS 71 HZ2 LYS 71 -3.103 5.610 10.722 495 HZ3 LYS 71 HZ3 LYS 71 -4.648 5.739 10.171 496 H GLU 72 H GLU 72 -5.930 -1.469 7.787 497 HA GLU 72 HA GLU 72 -4.596 -3.674 8.973 498 HB2 GLU 72 HB2 GLU 72 -7.029 -3.164 9.164 499 HB3 GLU 72 HB3 GLU 72 -7.260 -3.689 7.494 500 HG2 GLU 72 HG2 GLU 72 -6.519 -5.964 8.115 501 HG3 GLU 72 HG3 GLU 72 -6.172 -5.417 9.763 502 H SER 73 H SER 73 -5.697 -3.331 5.524 503 HA SER 73 HA SER 73 -4.747 -5.890 4.728 504 HB2 SER 73 HB2 SER 73 -6.354 -4.535 3.451 505 HB3 SER 73 HB3 SER 73 -5.075 -3.376 3.044 506 HG SER 73 HG SER 73 -5.159 -6.154 2.372 507 H MET 74 H MET 74 -3.072 -2.659 4.398 508 HA MET 74 HA MET 74 -0.751 -3.846 3.283 509 HB2 MET 74 HB2 MET 74 0.282 -1.774 3.428 510 HB3 MET 74 HB3 MET 74 -1.423 -1.429 3.140 511 HG2 MET 74 HG2 MET 74 -1.625 -1.015 5.645 512 HG3 MET 74 HG3 MET 74 0.126 -1.218 5.758 513 HE1 MET 74 HE1 MET 74 0.251 2.532 6.319 514 HE2 MET 74 HE2 MET 74 -0.667 1.228 7.108 515 HE3 MET 74 HE3 MET 74 1.025 0.966 6.633 516 H ARG 75 H ARG 75 -1.528 -3.246 6.762 517 HA ARG 75 HA ARG 75 0.955 -4.251 7.732 518 HB2 ARG 75 HB2 ARG 75 -0.712 -2.956 9.008 519 HB3 ARG 75 HB3 ARG 75 -1.793 -4.341 9.044 520 HG2 ARG 75 HG2 ARG 75 1.017 -4.341 10.238 521 HG3 ARG 75 HG3 ARG 75 -0.428 -3.850 11.117 522 HD2 ARG 75 HD2 ARG 75 -1.412 -6.146 10.619 523 HD3 ARG 75 HD3 ARG 75 0.195 -6.637 10.074 524 HE ARG 75 HE ARG 75 -0.693 -6.098 12.807 525 HH11 ARG 75 HH11 ARG 75 2.180 -6.576 10.736 526 HH12 ARG 75 HH12 ARG 75 3.200 -6.994 12.090 527 HH21 ARG 75 HH21 ARG 75 0.662 -6.645 14.508 528 HH22 ARG 75 HH22 ARG 75 2.339 -7.053 14.224 529 H ALA 76 H ALA 76 -2.149 -5.997 7.095 530 HA ALA 76 HA ALA 76 -1.259 -8.544 7.974 531 HB1 ALA 76 HB1 ALA 76 -3.252 -9.370 6.752 532 HB2 ALA 76 HB2 ALA 76 -3.618 -7.908 7.688 533 HB3 ALA 76 HB3 ALA 76 -3.402 -7.804 5.930 534 H LEU 77 H LEU 77 -1.354 -7.230 4.637 535 HA LEU 77 HA LEU 77 -0.044 -9.436 3.365 536 HB2 LEU 77 HB2 LEU 77 -0.260 -6.485 2.630 537 HB3 LEU 77 HB3 LEU 77 0.444 -7.696 1.569 538 HG LEU 77 HG LEU 77 -2.441 -7.821 2.562 539 HD11 LEU 77 HD11 LEU 77 -3.032 -7.036 0.301 540 HD12 LEU 77 HD12 LEU 77 -1.312 -6.826 -0.093 541 HD13 LEU 77 HD13 LEU 77 -2.079 -5.829 1.167 542 HD21 LEU 77 HD21 LEU 77 -2.709 -9.393 0.654 543 HD22 LEU 77 HD22 LEU 77 -1.595 -10.016 1.873 544 HD23 LEU 77 HD23 LEU 77 -0.957 -9.322 0.361 545 H GLY 78 H GLY 78 1.306 -6.319 4.579 546 HA2 GLY 78 HA2 GLY 78 4.014 -6.781 3.950 547 HA3 GLY 78 HA3 GLY 78 3.423 -5.778 5.285 548 H PHE 79 H PHE 79 2.236 -7.693 6.913 549 HA PHE 79 HA PHE 79 4.345 -9.062 8.249 550 HB2 PHE 79 HB2 PHE 79 2.298 -8.299 9.335 551 HB3 PHE 79 HB3 PHE 79 1.324 -9.387 8.362 552 HD1 PHE 79 HD1 PHE 79 3.910 -9.240 11.043 553 HD2 PHE 79 HD2 PHE 79 0.986 -11.679 9.017 554 HE1 PHE 79 HE1 PHE 79 4.135 -10.978 12.803 555 HE2 PHE 79 HE2 PHE 79 1.212 -13.411 10.778 556 HZ PHE 79 HZ PHE 79 2.784 -13.059 12.674 557 H LYS 80 H LYS 80 1.928 -10.286 5.906 558 HA LYS 80 HA LYS 80 2.684 -13.047 6.172 559 HB2 LYS 80 HB2 LYS 80 0.469 -12.180 5.495 560 HB3 LYS 80 HB3 LYS 80 1.136 -11.668 3.940 561 HG2 LYS 80 HG2 LYS 80 1.600 -13.998 3.338 562 HG3 LYS 80 HG3 LYS 80 1.162 -14.541 4.972 563 HD2 LYS 80 HD2 LYS 80 -1.159 -13.706 4.612 564 HD3 LYS 80 HD3 LYS 80 -0.727 -13.243 2.949 565 HE2 LYS 80 HE2 LYS 80 -0.195 -15.591 2.415 566 HE3 LYS 80 HE3 LYS 80 -0.469 -16.060 4.096 567 HZ1 LYS 80 HZ1 LYS 80 -2.808 -15.296 3.793 568 HZ2 LYS 80 HZ2 LYS 80 -2.407 -16.583 2.869 569 HZ3 LYS 80 HZ3 LYS 80 -2.533 -15.079 2.198 570 H ILE 81 H ILE 81 3.721 -10.640 3.737 571 HA ILE 81 HA ILE 81 4.854 -12.610 1.968 572 HB ILE 81 HB ILE 81 5.755 -10.732 0.687 573 HG12 ILE 81 HG12 ILE 81 4.811 -9.015 3.020 574 HG13 ILE 81 HG13 ILE 81 6.444 -9.197 2.402 575 HG21 ILE 81 HG21 ILE 81 3.596 -9.878 0.000 576 HG22 ILE 81 HG22 ILE 81 3.444 -11.579 0.432 577 HG23 ILE 81 HG23 ILE 81 2.863 -10.330 1.547 578 HD11 ILE 81 HD11 ILE 81 5.606 -7.084 1.651 579 HD12 ILE 81 HD12 ILE 81 5.672 -8.157 0.234 580 HD13 ILE 81 HD13 ILE 81 4.117 -7.808 1.027 Start of MODEL 15 1 H ASN 1 H ASN 1 -8.191 9.407 -17.445 2 HA ASN 1 HA ASN 1 -7.243 9.154 -15.293 3 HB2 ASN 1 HB2 ASN 1 -9.228 10.539 -15.369 4 HB3 ASN 1 HB3 ASN 1 -10.282 9.146 -15.197 5 HD21 ASN 1 HD21 ASN 1 -7.812 11.116 -13.398 6 HD22 ASN 1 HD22 ASN 1 -8.562 10.661 -11.878 7 H GLY 2 H GLY 2 -10.069 6.968 -14.842 8 HA2 GLY 2 HA2 GLY 2 -10.183 4.902 -13.822 9 HA3 GLY 2 HA3 GLY 2 -8.595 4.554 -14.523 10 H ASN 3 H ASN 3 -9.075 7.196 -12.283 11 HA ASN 3 HA ASN 3 -6.877 6.042 -10.577 12 HB2 ASN 3 HB2 ASN 3 -6.267 7.681 -12.354 13 HB3 ASN 3 HB3 ASN 3 -7.341 8.831 -11.530 14 HD21 ASN 3 HD21 ASN 3 -6.510 10.101 -10.093 15 HD22 ASN 3 HD22 ASN 3 -5.124 9.704 -9.143 16 H ILE 4 H ILE 4 -6.658 6.787 -8.573 17 HA ILE 4 HA ILE 4 -8.975 7.068 -6.856 18 HB ILE 4 HB ILE 4 -5.969 7.112 -6.530 19 HG12 ILE 4 HG12 ILE 4 -6.324 5.006 -5.180 20 HG13 ILE 4 HG13 ILE 4 -7.976 4.968 -5.728 21 HG21 ILE 4 HG21 ILE 4 -7.988 7.417 -4.333 22 HG22 ILE 4 HG22 ILE 4 -6.329 6.837 -4.072 23 HG23 ILE 4 HG23 ILE 4 -6.541 8.403 -4.766 24 HD11 ILE 4 HD11 ILE 4 -7.094 4.620 -8.059 25 HD12 ILE 4 HD12 ILE 4 -5.436 4.951 -7.460 26 HD13 ILE 4 HD13 ILE 4 -6.302 3.504 -6.936 27 H ASN 5 H ASN 5 -9.532 8.999 -5.464 28 HA ASN 5 HA ASN 5 -7.884 11.428 -5.891 29 HB2 ASN 5 HB2 ASN 5 -10.355 11.523 -5.733 30 HB3 ASN 5 HB3 ASN 5 -10.256 10.957 -4.060 31 HD21 ASN 5 HD21 ASN 5 -11.505 13.211 -4.520 32 HD22 ASN 5 HD22 ASN 5 -10.538 14.604 -3.996 33 H TRP 6 H TRP 6 -6.186 11.911 -4.706 34 HA TRP 6 HA TRP 6 -5.297 9.893 -2.685 35 HB2 TRP 6 HB2 TRP 6 -3.703 11.839 -4.373 36 HB3 TRP 6 HB3 TRP 6 -3.036 10.603 -3.344 37 HD1 TRP 6 HD1 TRP 6 -3.435 11.257 -6.709 38 HE1 TRP 6 HE1 TRP 6 -3.130 9.154 -8.157 39 HE3 TRP 6 HE3 TRP 6 -3.982 7.754 -3.094 40 HZ2 TRP 6 HZ2 TRP 6 -2.989 6.333 -7.738 41 HZ3 TRP 6 HZ3 TRP 6 -3.641 5.355 -3.636 42 HH2 TRP 6 HH2 TRP 6 -3.294 4.617 -5.957 43 H ASN 7 H ASN 7 -6.539 13.005 -2.417 44 HA ASN 7 HA ASN 7 -4.030 14.210 -1.415 45 HB2 ASN 7 HB2 ASN 7 -5.148 15.249 -3.290 46 HB3 ASN 7 HB3 ASN 7 -6.675 15.322 -2.402 47 HD21 ASN 7 HD21 ASN 7 -3.256 16.354 -2.263 48 HD22 ASN 7 HD22 ASN 7 -3.551 17.835 -1.367 49 H SER 8 H SER 8 -7.401 14.018 -0.325 50 HA SER 8 HA SER 8 -6.641 14.376 2.511 51 HB2 SER 8 HB2 SER 8 -6.707 16.655 1.909 52 HB3 SER 8 HB3 SER 8 -8.168 16.478 0.944 53 HG SER 8 HG SER 8 -8.343 17.422 3.091 54 HA PRO 9 HA PRO 9 -11.064 12.504 2.001 55 HB2 PRO 9 HB2 PRO 9 -12.119 12.274 -0.512 56 HB3 PRO 9 HB3 PRO 9 -12.415 13.694 0.539 57 HG2 PRO 9 HG2 PRO 9 -10.295 13.393 -1.610 58 HG3 PRO 9 HG3 PRO 9 -11.507 14.713 -1.444 59 HD2 PRO 9 HD2 PRO 9 -9.020 15.011 -0.508 60 HD3 PRO 9 HD3 PRO 9 -10.398 15.583 0.471 61 H CYS 10 H CYS 10 -11.498 10.310 1.277 62 HA CYS 10 HA CYS 10 -10.921 8.167 0.808 63 HB2 CYS 10 HB2 CYS 10 -10.252 9.586 -1.723 64 HB3 CYS 10 HB3 CYS 10 -9.821 7.895 -1.576 65 H LEU 11 H LEU 11 -8.023 8.792 -0.960 66 HA LEU 11 HA LEU 11 -6.499 7.265 1.067 67 HB2 LEU 11 HB2 LEU 11 -6.127 7.771 -1.868 68 HB3 LEU 11 HB3 LEU 11 -4.844 7.122 -0.845 69 HG LEU 11 HG LEU 11 -6.428 5.345 -0.045 70 HD11 LEU 11 HD11 LEU 11 -8.107 6.343 -2.334 71 HD12 LEU 11 HD12 LEU 11 -8.581 6.123 -0.629 72 HD13 LEU 11 HD13 LEU 11 -8.257 4.708 -1.629 73 HD21 LEU 11 HD21 LEU 11 -4.709 5.072 -1.915 74 HD22 LEU 11 HD22 LEU 11 -6.106 4.996 -2.996 75 HD23 LEU 11 HD23 LEU 11 -5.944 3.842 -1.666 76 H GLY 12 H GLY 12 -6.967 10.390 1.011 77 HA2 GLY 12 HA2 GLY 12 -4.767 11.975 0.959 78 HA3 GLY 12 HA3 GLY 12 -5.939 12.066 2.255 79 H GLY 13 H GLY 13 -5.527 10.257 4.001 80 HA2 GLY 13 HA2 GLY 13 -3.134 10.911 5.369 81 HA3 GLY 13 HA3 GLY 13 -4.233 9.593 5.775 82 H MET 14 H MET 14 -3.532 8.480 2.902 83 HA MET 14 HA MET 14 -1.183 6.913 3.862 84 HB2 MET 14 HB2 MET 14 -3.700 6.102 3.015 85 HB3 MET 14 HB3 MET 14 -2.763 5.981 1.557 86 HG2 MET 14 HG2 MET 14 -2.423 3.947 2.444 87 HG3 MET 14 HG3 MET 14 -0.995 4.762 3.049 88 HE1 MET 14 HE1 MET 14 -2.200 6.282 5.800 89 HE2 MET 14 HE2 MET 14 -1.832 4.967 6.927 90 HE3 MET 14 HE3 MET 14 -0.678 5.368 5.639 91 H ALA 15 H ALA 15 -2.338 8.622 0.980 92 HA ALA 15 HA ALA 15 -0.178 7.505 -0.611 93 HB1 ALA 15 HB1 ALA 15 -2.618 7.692 -1.313 94 HB2 ALA 15 HB2 ALA 15 -2.311 9.408 -1.610 95 HB3 ALA 15 HB3 ALA 15 -1.389 8.167 -2.497 96 H SER 16 H SER 16 0.735 9.326 1.368 97 HA SER 16 HA SER 16 2.509 10.892 -0.430 98 HB2 SER 16 HB2 SER 16 1.010 11.980 1.966 99 HB3 SER 16 HB3 SER 16 2.566 12.660 1.464 100 HG SER 16 HG SER 16 0.115 12.651 0.092 101 H GLY 17 H GLY 17 4.564 11.340 0.345 102 HA2 GLY 17 HA2 GLY 17 6.066 11.080 2.499 103 HA3 GLY 17 HA3 GLY 17 5.599 9.405 2.375 104 HA PRO 18 HA PRO 18 9.813 9.750 0.081 105 HB2 PRO 18 HB2 PRO 18 10.519 7.411 1.416 106 HB3 PRO 18 HB3 PRO 18 10.890 9.094 1.876 107 HG2 PRO 18 HG2 PRO 18 8.543 7.437 2.906 108 HG3 PRO 18 HG3 PRO 18 9.808 8.294 3.844 109 HD2 PRO 18 HD2 PRO 18 7.556 9.561 3.408 110 HD3 PRO 18 HD3 PRO 18 9.031 10.440 3.003 111 H CYS 19 H CYS 19 7.165 7.547 0.609 112 HA CYS 19 HA CYS 19 7.818 5.981 -1.856 113 HB2 CYS 19 HB2 CYS 19 6.592 4.881 0.669 114 HB3 CYS 19 HB3 CYS 19 7.122 3.965 -0.723 115 H GLY 20 H GLY 20 5.968 8.317 -1.204 116 HA2 GLY 20 HA2 GLY 20 3.270 7.593 -1.003 117 HA3 GLY 20 HA3 GLY 20 3.870 9.021 -1.878 118 H GLU 21 H GLU 21 5.242 7.950 -3.918 119 HA GLU 21 HA GLU 21 3.378 7.273 -5.944 120 HB2 GLU 21 HB2 GLU 21 5.271 7.146 -7.262 121 HB3 GLU 21 HB3 GLU 21 5.722 8.322 -6.046 122 HG2 GLU 21 HG2 GLU 21 6.844 6.239 -4.873 123 HG3 GLU 21 HG3 GLU 21 6.630 5.452 -6.419 124 H GLN 22 H GLN 22 5.308 5.045 -3.869 125 HA GLN 22 HA GLN 22 4.562 2.717 -5.356 126 HB2 GLN 22 HB2 GLN 22 5.157 2.621 -2.389 127 HB3 GLN 22 HB3 GLN 22 5.438 1.426 -3.643 128 HG2 GLN 22 HG2 GLN 22 6.929 3.990 -3.119 129 HG3 GLN 22 HG3 GLN 22 7.461 2.375 -2.807 130 HE21 GLN 22 HE21 GLN 22 8.807 4.444 -4.242 131 HE22 GLN 22 HE22 GLN 22 8.958 3.942 -5.928 132 H PHE 23 H PHE 23 2.965 4.429 -2.576 133 HA PHE 23 HA PHE 23 0.757 2.625 -2.557 134 HB2 PHE 23 HB2 PHE 23 1.312 4.618 -0.870 135 HB3 PHE 23 HB3 PHE 23 0.298 5.549 -1.953 136 HD1 PHE 23 HD1 PHE 23 0.342 2.133 -0.417 137 HD2 PHE 23 HD2 PHE 23 -2.090 5.604 -1.326 138 HE1 PHE 23 HE1 PHE 23 -1.602 1.037 0.643 139 HE2 PHE 23 HE2 PHE 23 -3.940 4.561 -0.021 140 HZ PHE 23 HZ PHE 23 -3.774 2.241 0.777 141 H LYS 24 H LYS 24 1.242 5.646 -4.424 142 HA LYS 24 HA LYS 24 -1.147 5.677 -5.829 143 HB2 LYS 24 HB2 LYS 24 1.463 6.281 -7.170 144 HB3 LYS 24 HB3 LYS 24 -0.056 6.922 -7.575 145 HG2 LYS 24 HG2 LYS 24 1.353 7.552 -4.968 146 HG3 LYS 24 HG3 LYS 24 1.361 8.544 -6.424 147 HD2 LYS 24 HD2 LYS 24 -1.167 8.559 -6.188 148 HD3 LYS 24 HD3 LYS 24 -1.004 7.816 -4.647 149 HE2 LYS 24 HE2 LYS 24 -1.210 10.225 -4.323 150 HE3 LYS 24 HE3 LYS 24 0.471 9.827 -3.962 151 HZ1 LYS 24 HZ1 LYS 24 1.096 10.667 -6.148 152 HZ2 LYS 24 HZ2 LYS 24 0.166 11.811 -5.429 153 HZ3 LYS 24 HZ3 LYS 24 -0.446 10.849 -6.610 154 H SER 25 H SER 25 1.760 4.035 -6.750 155 HA SER 25 HA SER 25 0.840 2.647 -9.030 156 HB2 SER 25 HB2 SER 25 3.146 3.205 -8.362 157 HB3 SER 25 HB3 SER 25 3.093 2.044 -7.055 158 HG SER 25 HG SER 25 4.146 1.333 -8.927 159 H ALA 26 H ALA 26 1.061 1.487 -5.618 160 HA ALA 26 HA ALA 26 0.049 -1.128 -6.146 161 HB1 ALA 26 HB1 ALA 26 0.049 0.499 -3.569 162 HB2 ALA 26 HB2 ALA 26 -0.209 -1.250 -3.690 163 HB3 ALA 26 HB3 ALA 26 1.358 -0.558 -4.141 164 H PHE 27 H PHE 27 -1.773 1.708 -4.743 165 HA PHE 27 HA PHE 27 -4.185 0.208 -4.941 166 HB2 PHE 27 HB2 PHE 27 -3.447 2.487 -3.537 167 HB3 PHE 27 HB3 PHE 27 -4.706 3.043 -4.633 168 HD1 PHE 27 HD1 PHE 27 -3.862 0.304 -2.220 169 HD2 PHE 27 HD2 PHE 27 -7.028 2.574 -4.074 170 HE1 PHE 27 HE1 PHE 27 -5.533 -0.842 -0.781 171 HE2 PHE 27 HE2 PHE 27 -8.690 1.475 -2.554 172 HZ PHE 27 HZ PHE 27 -7.941 -0.247 -0.950 173 H SER 28 H SER 28 -2.794 2.583 -7.256 174 HA SER 28 HA SER 28 -4.951 2.483 -9.116 175 HB2 SER 28 HB2 SER 28 -3.071 3.959 -9.453 176 HB3 SER 28 HB3 SER 28 -1.966 2.580 -9.673 177 HG SER 28 HG SER 28 -3.640 3.809 -11.404 178 H CYS 29 H CYS 29 -2.039 0.282 -9.005 179 HA CYS 29 HA CYS 29 -2.927 -1.536 -10.898 180 HB2 CYS 29 HB2 CYS 29 -0.707 -1.440 -9.820 181 HB3 CYS 29 HB3 CYS 29 -1.350 -2.176 -8.363 182 H PHE 30 H PHE 30 -3.772 -1.625 -7.376 183 HA PHE 30 HA PHE 30 -5.577 -3.791 -7.589 184 HB2 PHE 30 HB2 PHE 30 -4.770 -3.103 -5.436 185 HB3 PHE 30 HB3 PHE 30 -5.482 -1.496 -5.620 186 HD1 PHE 30 HD1 PHE 30 -6.492 -5.129 -5.685 187 HD2 PHE 30 HD2 PHE 30 -7.628 -1.076 -4.733 188 HE1 PHE 30 HE1 PHE 30 -8.744 -5.921 -4.962 189 HE2 PHE 30 HE2 PHE 30 -9.877 -1.872 -4.036 190 HZ PHE 30 HZ PHE 30 -10.442 -4.285 -4.182 191 H HIS 31 H HIS 31 -6.366 -0.262 -7.955 192 HA HIS 31 HA HIS 31 -9.156 -0.615 -8.376 193 HB2 HIS 31 HB2 HIS 31 -7.135 1.510 -9.041 194 HB3 HIS 31 HB3 HIS 31 -8.647 1.537 -9.921 195 HD1 HIS 31 HD1 HIS 31 -10.245 3.190 -8.873 196 HD2 HIS 31 HD2 HIS 31 -7.994 1.011 -6.063 197 HE1 HIS 31 HE1 HIS 31 -10.949 4.044 -6.595 198 H TYR 32 H TYR 32 -6.523 -0.702 -10.823 199 HA TYR 32 HA TYR 32 -8.258 -1.512 -12.964 200 HB2 TYR 32 HB2 TYR 32 -5.264 -1.620 -12.515 201 HB3 TYR 32 HB3 TYR 32 -6.008 -2.276 -13.957 202 HD1 TYR 32 HD1 TYR 32 -5.396 0.963 -12.112 203 HD2 TYR 32 HD2 TYR 32 -6.782 -0.896 -15.753 204 HE1 TYR 32 HE1 TYR 32 -5.354 3.140 -13.221 205 HE2 TYR 32 HE2 TYR 32 -6.688 1.303 -16.887 206 HH TYR 32 HH TYR 32 -6.233 3.565 -16.680 207 H SER 33 H SER 33 -7.077 -3.325 -10.283 208 HA SER 33 HA SER 33 -7.424 -5.964 -11.543 209 HB2 SER 33 HB2 SER 33 -5.527 -5.554 -9.936 210 HB3 SER 33 HB3 SER 33 -6.714 -5.284 -8.670 211 HG SER 33 HG SER 33 -6.542 -7.662 -10.227 212 H THR 34 H THR 34 -8.705 -4.738 -8.436 213 HA THR 34 HA THR 34 -10.633 -5.120 -7.283 214 HB THR 34 HB THR 34 -12.820 -4.918 -8.543 215 HG1 THR 34 HG1 THR 34 -11.179 -5.343 -10.594 216 HG21 THR 34 HG21 THR 34 -10.691 -2.784 -8.949 217 HG22 THR 34 HG22 THR 34 -11.729 -2.989 -7.521 218 HG23 THR 34 HG23 THR 34 -12.445 -2.546 -9.081 219 H GLU 35 H GLU 35 -9.211 -7.370 -7.691 220 HA GLU 35 HA GLU 35 -10.778 -9.566 -8.801 221 HB2 GLU 35 HB2 GLU 35 -8.059 -9.121 -7.611 222 HB3 GLU 35 HB3 GLU 35 -8.650 -10.762 -7.603 223 HG2 GLU 35 HG2 GLU 35 -8.609 -9.022 -10.107 224 HG3 GLU 35 HG3 GLU 35 -7.239 -10.026 -9.606 225 H GLU 36 H GLU 36 -9.337 -9.294 -5.585 226 HA GLU 36 HA GLU 36 -11.630 -10.477 -4.186 227 HB2 GLU 36 HB2 GLU 36 -10.519 -12.446 -5.360 228 HB3 GLU 36 HB3 GLU 36 -9.049 -12.103 -4.453 229 HG2 GLU 36 HG2 GLU 36 -10.394 -12.420 -2.322 230 HG3 GLU 36 HG3 GLU 36 -11.766 -12.903 -3.312 231 H ILE 37 H ILE 37 -8.094 -10.108 -4.013 232 HA ILE 37 HA ILE 37 -8.347 -8.700 -1.379 233 HB ILE 37 HB ILE 37 -6.555 -10.944 -2.267 234 HG12 ILE 37 HG12 ILE 37 -8.122 -10.279 0.252 235 HG13 ILE 37 HG13 ILE 37 -8.551 -11.418 -1.029 236 HG21 ILE 37 HG21 ILE 37 -4.888 -9.283 -1.627 237 HG22 ILE 37 HG22 ILE 37 -5.720 -9.027 -0.063 238 HG23 ILE 37 HG23 ILE 37 -4.958 -10.580 -0.467 239 HD11 ILE 37 HD11 ILE 37 -6.529 -12.798 -0.390 240 HD12 ILE 37 HD12 ILE 37 -6.316 -11.719 1.010 241 HD13 ILE 37 HD13 ILE 37 -7.789 -12.685 0.852 242 H LYS 38 H LYS 38 -7.051 -6.944 -0.963 243 HA LYS 38 HA LYS 38 -6.107 -5.259 -3.008 244 HB2 LYS 38 HB2 LYS 38 -4.994 -5.372 -0.182 245 HB3 LYS 38 HB3 LYS 38 -4.881 -4.037 -1.328 246 HG2 LYS 38 HG2 LYS 38 -7.268 -5.044 0.189 247 HG3 LYS 38 HG3 LYS 38 -6.530 -3.447 0.216 248 HD2 LYS 38 HD2 LYS 38 -7.396 -2.915 -1.983 249 HD3 LYS 38 HD3 LYS 38 -7.986 -4.569 -2.236 250 HE2 LYS 38 HE2 LYS 38 -8.918 -2.893 0.053 251 HE3 LYS 38 HE3 LYS 38 -9.706 -2.813 -1.536 252 HZ1 LYS 38 HZ1 LYS 38 -10.868 -4.403 -0.223 253 HZ2 LYS 38 HZ2 LYS 38 -9.494 -5.243 0.174 254 HZ3 LYS 38 HZ3 LYS 38 -10.056 -5.259 -1.351 255 H GLY 39 H GLY 39 -4.694 -6.165 -4.585 256 HA2 GLY 39 HA2 GLY 39 -2.362 -6.373 -5.147 257 HA3 GLY 39 HA3 GLY 39 -2.012 -7.000 -3.560 258 H SER 40 H SER 40 -4.771 -8.784 -4.516 259 HA SER 40 HA SER 40 -3.235 -11.101 -4.883 260 HB2 SER 40 HB2 SER 40 -5.269 -12.234 -5.379 261 HB3 SER 40 HB3 SER 40 -5.589 -10.998 -4.176 262 HG SER 40 HG SER 40 -6.645 -11.312 -6.638 263 H ASP 41 H ASP 41 -4.047 -8.841 -7.533 264 HA ASP 41 HA ASP 41 -2.038 -10.503 -8.946 265 HB2 ASP 41 HB2 ASP 41 -4.297 -10.571 -10.033 266 HB3 ASP 41 HB3 ASP 41 -4.141 -8.836 -10.352 267 H CYS 42 H CYS 42 -1.579 -8.296 -7.118 268 HA CYS 42 HA CYS 42 0.045 -6.448 -8.797 269 HB2 CYS 42 HB2 CYS 42 -2.314 -5.726 -7.037 270 HB3 CYS 42 HB3 CYS 42 -1.053 -4.547 -7.388 271 H VAL 43 H VAL 43 0.204 -8.492 -6.325 272 HA VAL 43 HA VAL 43 0.944 -7.084 -4.047 273 HB VAL 43 HB VAL 43 0.330 -9.374 -3.959 274 HG11 VAL 43 HG11 VAL 43 1.814 -11.200 -4.601 275 HG12 VAL 43 HG12 VAL 43 1.356 -10.230 -5.999 276 HG13 VAL 43 HG13 VAL 43 2.979 -10.038 -5.287 277 HG21 VAL 43 HG21 VAL 43 1.705 -8.458 -2.122 278 HG22 VAL 43 HG22 VAL 43 1.876 -10.206 -2.334 279 HG23 VAL 43 HG23 VAL 43 3.160 -9.121 -2.903 280 H ASP 44 H ASP 44 3.105 -7.777 -6.804 281 HA ASP 44 HA ASP 44 5.529 -7.141 -5.530 282 HB2 ASP 44 HB2 ASP 44 5.215 -8.076 -7.838 283 HB3 ASP 44 HB3 ASP 44 4.767 -6.457 -8.394 284 H GLN 45 H GLN 45 3.035 -4.865 -6.692 285 HA GLN 45 HA GLN 45 4.607 -2.470 -6.260 286 HB2 GLN 45 HB2 GLN 45 1.633 -2.939 -6.582 287 HB3 GLN 45 HB3 GLN 45 2.358 -1.358 -6.293 288 HG2 GLN 45 HG2 GLN 45 1.976 -1.635 -8.644 289 HG3 GLN 45 HG3 GLN 45 3.687 -1.485 -8.316 290 HE21 GLN 45 HE21 GLN 45 1.148 -3.983 -8.947 291 HE22 GLN 45 HE22 GLN 45 2.258 -5.106 -9.716 292 H PHE 46 H PHE 46 2.278 -4.276 -4.185 293 HA PHE 46 HA PHE 46 2.513 -2.486 -1.932 294 HB2 PHE 46 HB2 PHE 46 1.758 -5.419 -2.092 295 HB3 PHE 46 HB3 PHE 46 1.591 -4.411 -0.669 296 HD1 PHE 46 HD1 PHE 46 0.329 -4.691 -4.221 297 HD2 PHE 46 HD2 PHE 46 -0.376 -3.139 -0.258 298 HE1 PHE 46 HE1 PHE 46 -1.930 -3.918 -4.914 299 HE2 PHE 46 HE2 PHE 46 -2.618 -2.379 -0.962 300 HZ PHE 46 HZ PHE 46 -3.395 -2.754 -3.292 301 H ARG 47 H ARG 47 4.269 -5.495 -2.829 302 HA ARG 47 HA ARG 47 6.068 -5.515 -0.689 303 HB2 ARG 47 HB2 ARG 47 5.703 -7.290 -2.434 304 HB3 ARG 47 HB3 ARG 47 6.748 -6.368 -3.531 305 HG2 ARG 47 HG2 ARG 47 8.635 -6.588 -1.983 306 HG3 ARG 47 HG3 ARG 47 7.573 -7.268 -0.739 307 HD2 ARG 47 HD2 ARG 47 7.081 -9.189 -2.340 308 HD3 ARG 47 HD3 ARG 47 8.356 -8.549 -3.388 309 HE ARG 47 HE ARG 47 9.951 -9.393 -1.956 310 HH11 ARG 47 HH11 ARG 47 6.836 -9.394 -0.214 311 HH12 ARG 47 HH12 ARG 47 7.469 -10.319 1.130 312 HH21 ARG 47 HH21 ARG 47 10.730 -10.567 -0.175 313 HH22 ARG 47 HH22 ARG 47 9.668 -10.973 1.154 314 H ALA 48 H ALA 48 6.390 -3.767 -3.816 315 HA ALA 48 HA ALA 48 8.792 -2.372 -3.272 316 HB1 ALA 48 HB1 ALA 48 7.902 -0.673 -4.849 317 HB2 ALA 48 HB2 ALA 48 7.754 -2.349 -5.466 318 HB3 ALA 48 HB3 ALA 48 6.341 -1.484 -4.827 319 H MET 49 H MET 49 5.394 -1.406 -2.410 320 HA MET 49 HA MET 49 6.055 0.980 -1.114 321 HB2 MET 49 HB2 MET 49 3.728 0.145 -1.634 322 HB3 MET 49 HB3 MET 49 3.878 -0.950 -0.263 323 HG2 MET 49 HG2 MET 49 4.509 1.358 1.000 324 HG3 MET 49 HG3 MET 49 3.539 2.015 -0.314 325 HE1 MET 49 HE1 MET 49 3.345 -1.319 1.932 326 HE2 MET 49 HE2 MET 49 3.724 0.055 2.996 327 HE3 MET 49 HE3 MET 49 2.155 -0.762 3.123 328 H GLN 50 H GLN 50 5.905 -2.291 0.483 329 HA GLN 50 HA GLN 50 6.919 -1.185 2.898 330 HB2 GLN 50 HB2 GLN 50 5.604 -3.301 2.693 331 HB3 GLN 50 HB3 GLN 50 7.043 -4.096 2.043 332 HG2 GLN 50 HG2 GLN 50 6.775 -4.509 4.479 333 HG3 GLN 50 HG3 GLN 50 8.269 -3.654 4.122 334 HE21 GLN 50 HE21 GLN 50 8.597 -2.439 5.993 335 HE22 GLN 50 HE22 GLN 50 7.438 -1.225 6.568 336 H GLU 51 H GLU 51 8.650 -2.906 0.356 337 HA GLU 51 HA GLU 51 11.365 -2.822 1.186 338 HB2 GLU 51 HB2 GLU 51 10.496 -3.944 -0.847 339 HB3 GLU 51 HB3 GLU 51 9.909 -2.418 -1.453 340 HG2 GLU 51 HG2 GLU 51 11.575 -2.745 -2.841 341 HG3 GLU 51 HG3 GLU 51 12.342 -1.676 -1.738 342 H CYS 52 H CYS 52 9.381 -0.201 -0.102 343 HA CYS 52 HA CYS 52 11.610 1.704 -0.004 344 HB2 CYS 52 HB2 CYS 52 9.879 1.725 -1.787 345 HB3 CYS 52 HB3 CYS 52 8.662 1.965 -0.604 346 H MET 53 H MET 53 8.681 0.963 2.036 347 HA MET 53 HA MET 53 9.015 3.413 3.496 348 HB2 MET 53 HB2 MET 53 7.198 1.019 3.860 349 HB3 MET 53 HB3 MET 53 7.294 2.287 5.090 350 HG2 MET 53 HG2 MET 53 6.775 4.010 3.411 351 HG3 MET 53 HG3 MET 53 6.612 2.765 2.171 352 HE1 MET 53 HE1 MET 53 4.248 3.775 1.538 353 HE2 MET 53 HE2 MET 53 2.918 3.992 2.695 354 HE3 MET 53 HE3 MET 53 4.374 5.002 2.823 355 H GLN 54 H GLN 54 10.158 0.210 3.971 356 HA GLN 54 HA GLN 54 11.323 0.279 6.487 357 HB2 GLN 54 HB2 GLN 54 12.651 -1.529 5.572 358 HB3 GLN 54 HB3 GLN 54 11.085 -1.561 4.869 359 HG2 GLN 54 HG2 GLN 54 12.434 -2.020 3.081 360 HG3 GLN 54 HG3 GLN 54 12.093 -0.298 2.897 361 HE21 GLN 54 HE21 GLN 54 13.933 -0.239 1.525 362 HE22 GLN 54 HE22 GLN 54 15.562 -0.128 2.237 363 H LYS 55 H LYS 55 12.248 2.264 3.770 364 HA LYS 55 HA LYS 55 14.854 3.130 4.650 365 HB2 LYS 55 HB2 LYS 55 12.810 4.578 2.969 366 HB3 LYS 55 HB3 LYS 55 14.488 5.050 3.146 367 HG2 LYS 55 HG2 LYS 55 13.618 2.370 1.977 368 HG3 LYS 55 HG3 LYS 55 13.855 3.824 1.031 369 HD2 LYS 55 HD2 LYS 55 16.011 2.440 2.686 370 HD3 LYS 55 HD3 LYS 55 15.754 2.254 0.946 371 HE2 LYS 55 HE2 LYS 55 16.086 4.774 0.719 372 HE3 LYS 55 HE3 LYS 55 16.617 4.780 2.412 373 HZ1 LYS 55 HZ1 LYS 55 18.499 4.552 0.895 374 HZ2 LYS 55 HZ2 LYS 55 17.851 3.229 0.203 375 HZ3 LYS 55 HZ3 LYS 55 18.368 3.193 1.775 376 H TYR 56 H TYR 56 11.673 4.127 5.778 377 HA TYR 56 HA TYR 56 12.982 6.206 7.485 378 HB2 TYR 56 HB2 TYR 56 10.719 6.785 5.569 379 HB3 TYR 56 HB3 TYR 56 11.309 7.827 6.852 380 HD1 TYR 56 HD1 TYR 56 13.723 8.572 6.893 381 HD2 TYR 56 HD2 TYR 56 11.982 6.627 3.472 382 HE1 TYR 56 HE1 TYR 56 15.452 9.560 5.465 383 HE2 TYR 56 HE2 TYR 56 13.553 7.862 1.967 384 HH TYR 56 HH TYR 56 16.302 9.731 3.343 385 HA PRO 57 HA PRO 57 9.743 4.352 10.016 386 HB2 PRO 57 HB2 PRO 57 10.656 4.966 12.503 387 HB3 PRO 57 HB3 PRO 57 11.516 3.817 11.433 388 HG2 PRO 57 HG2 PRO 57 12.097 6.785 11.803 389 HG3 PRO 57 HG3 PRO 57 13.252 5.415 11.914 390 HD2 PRO 57 HD2 PRO 57 12.914 6.906 9.648 391 HD3 PRO 57 HD3 PRO 57 13.259 5.151 9.579 392 H ASP 58 H ASP 58 10.363 7.869 10.223 393 HA ASP 58 HA ASP 58 7.670 8.360 11.262 394 HB2 ASP 58 HB2 ASP 58 8.924 7.442 13.129 395 HB3 ASP 58 HB3 ASP 58 10.037 8.799 12.982 396 H LEU 59 H LEU 59 8.081 9.417 9.142 397 HA LEU 59 HA LEU 59 9.552 12.021 9.334 398 HB2 LEU 59 HB2 LEU 59 11.124 10.406 8.879 399 HB3 LEU 59 HB3 LEU 59 10.117 9.457 7.848 400 HG LEU 59 HG LEU 59 12.136 10.492 6.910 401 HD11 LEU 59 HD11 LEU 59 11.225 10.934 4.723 402 HD12 LEU 59 HD12 LEU 59 9.598 11.149 5.407 403 HD13 LEU 59 HD13 LEU 59 10.422 9.562 5.496 404 HD21 LEU 59 HD21 LEU 59 12.270 12.689 6.215 405 HD22 LEU 59 HD22 LEU 59 11.700 12.772 7.910 406 HD23 LEU 59 HD23 LEU 59 10.563 13.002 6.553 407 H TYR 60 H TYR 60 6.791 10.449 8.403 408 HA TYR 60 HA TYR 60 5.816 12.486 6.485 409 HB2 TYR 60 HB2 TYR 60 5.292 10.684 4.783 410 HB3 TYR 60 HB3 TYR 60 6.973 11.108 4.978 411 HD1 TYR 60 HD1 TYR 60 8.418 9.596 6.472 412 HD2 TYR 60 HD2 TYR 60 4.704 8.349 4.748 413 HE1 TYR 60 HE1 TYR 60 8.951 7.349 7.161 414 HE2 TYR 60 HE2 TYR 60 5.402 5.983 5.065 415 HH TYR 60 HH TYR 60 8.393 5.056 6.813 416 H GLU 61 H GLU 61 -18.654 -1.293 0.481 417 HA GLU 61 HA GLU 61 -17.112 0.196 1.477 418 HB2 GLU 61 HB2 GLU 61 -16.312 -1.331 -0.251 419 HB3 GLU 61 HB3 GLU 61 -16.686 -0.148 -1.511 420 HG2 GLU 61 HG2 GLU 61 -15.009 1.402 -0.599 421 HG3 GLU 61 HG3 GLU 61 -14.738 0.324 0.780 422 H HIS 62 H HIS 62 -16.510 2.215 1.921 423 HA HIS 62 HA HIS 62 -17.610 4.488 0.297 424 HB2 HIS 62 HB2 HIS 62 -17.665 4.110 3.315 425 HB3 HIS 62 HB3 HIS 62 -18.123 5.587 2.481 426 HD1 HIS 62 HD1 HIS 62 -19.841 3.010 4.092 427 HD2 HIS 62 HD2 HIS 62 -20.087 4.752 0.273 428 HE1 HIS 62 HE1 HIS 62 -22.240 2.630 3.282 429 H CYS 63 H CYS 63 -16.508 6.362 0.246 430 HA CYS 63 HA CYS 63 -13.704 6.337 0.209 431 HB2 CYS 63 HB2 CYS 63 -15.286 7.803 -1.040 432 HB3 CYS 63 HB3 CYS 63 -15.575 8.719 0.429 433 H GLY 64 H GLY 64 -15.807 7.493 2.867 434 HA2 GLY 64 HA2 GLY 64 -13.717 8.613 4.496 435 HA3 GLY 64 HA3 GLY 64 -15.332 8.142 5.021 436 H HIS 65 H HIS 65 -14.618 5.258 4.011 437 HA HIS 65 HA HIS 65 -13.254 4.476 6.567 438 HB2 HIS 65 HB2 HIS 65 -15.721 4.252 6.557 439 HB3 HIS 65 HB3 HIS 65 -15.594 3.111 5.218 440 HD1 HIS 65 HD1 HIS 65 -14.664 0.642 5.856 441 HD2 HIS 65 HD2 HIS 65 -14.810 3.429 9.008 442 HE1 HIS 65 HE1 HIS 65 -14.453 -0.700 7.998 443 H LEU 66 H LEU 66 -13.461 3.672 3.104 444 HA LEU 66 HA LEU 66 -12.133 1.233 3.130 445 HB2 LEU 66 HB2 LEU 66 -11.489 1.697 0.782 446 HB3 LEU 66 HB3 LEU 66 -13.162 2.052 1.185 447 HG LEU 66 HG LEU 66 -12.436 4.540 1.325 448 HD11 LEU 66 HD11 LEU 66 -9.977 4.284 1.288 449 HD12 LEU 66 HD12 LEU 66 -10.557 5.131 -0.138 450 HD13 LEU 66 HD13 LEU 66 -10.087 3.418 -0.258 451 HD21 LEU 66 HD21 LEU 66 -12.350 2.995 -1.304 452 HD22 LEU 66 HD22 LEU 66 -12.637 4.741 -1.152 453 HD23 LEU 66 HD23 LEU 66 -13.806 3.597 -0.487 454 H ILE 67 H ILE 67 -10.664 4.305 3.743 455 HA ILE 67 HA ILE 67 -7.956 3.550 3.593 456 HB ILE 67 HB ILE 67 -8.677 5.840 3.671 457 HG12 ILE 67 HG12 ILE 67 -6.962 5.449 6.148 458 HG13 ILE 67 HG13 ILE 67 -6.369 5.030 4.549 459 HG21 ILE 67 HG21 ILE 67 -9.379 5.448 6.621 460 HG22 ILE 67 HG22 ILE 67 -9.426 6.964 5.722 461 HG23 ILE 67 HG23 ILE 67 -10.556 5.683 5.307 462 HD11 ILE 67 HD11 ILE 67 -7.283 7.803 5.389 463 HD12 ILE 67 HD12 ILE 67 -5.617 7.258 5.127 464 HD13 ILE 67 HD13 ILE 67 -6.739 7.344 3.758 465 H GLU 68 H GLU 68 -10.191 3.128 6.384 466 HA GLU 68 HA GLU 68 -8.127 2.140 8.149 467 HB2 GLU 68 HB2 GLU 68 -11.149 1.731 8.155 468 HB3 GLU 68 HB3 GLU 68 -10.072 1.214 9.446 469 HG2 GLU 68 HG2 GLU 68 -10.513 4.091 8.539 470 HG3 GLU 68 HG3 GLU 68 -11.177 3.341 9.989 471 H ALA 69 H ALA 69 -10.431 0.462 5.975 472 HA ALA 69 HA ALA 69 -9.557 -2.174 6.576 473 HB1 ALA 69 HB1 ALA 69 -10.668 -2.743 4.436 474 HB2 ALA 69 HB2 ALA 69 -11.663 -1.662 5.431 475 HB3 ALA 69 HB3 ALA 69 -10.769 -1.015 4.034 476 H HIS 70 H HIS 70 -8.453 -0.024 3.793 477 HA HIS 70 HA HIS 70 -6.471 -1.924 3.103 478 HB2 HIS 70 HB2 HIS 70 -5.622 -0.445 1.540 479 HB3 HIS 70 HB3 HIS 70 -7.367 -0.302 1.530 480 HD1 HIS 70 HD1 HIS 70 -4.868 1.777 3.737 481 HD2 HIS 70 HD2 HIS 70 -7.580 2.112 0.535 482 HE1 HIS 70 HE1 HIS 70 -4.919 4.232 3.042 483 H LYS 71 H LYS 71 -6.293 0.724 5.427 484 HA LYS 71 HA LYS 71 -3.469 0.623 5.893 485 HB2 LYS 71 HB2 LYS 71 -4.895 2.481 6.510 486 HB3 LYS 71 HB3 LYS 71 -5.763 1.475 7.688 487 HG2 LYS 71 HG2 LYS 71 -3.829 1.384 9.114 488 HG3 LYS 71 HG3 LYS 71 -2.786 2.066 7.860 489 HD2 LYS 71 HD2 LYS 71 -3.351 3.737 9.572 490 HD3 LYS 71 HD3 LYS 71 -3.920 4.211 7.968 491 HE2 LYS 71 HE2 LYS 71 -6.221 3.398 8.589 492 HE3 LYS 71 HE3 LYS 71 -5.626 3.054 10.219 493 HZ1 LYS 71 HZ1 LYS 71 -6.710 5.209 10.075 494 HZ2 LYS 71 HZ2 LYS 71 -5.640 5.755 8.949 495 HZ3 LYS 71 HZ3 LYS 71 -5.100 5.429 10.435 496 H GLU 72 H GLU 72 -6.122 -1.084 7.717 497 HA GLU 72 HA GLU 72 -4.299 -2.727 9.179 498 HB2 GLU 72 HB2 GLU 72 -7.225 -2.932 8.450 499 HB3 GLU 72 HB3 GLU 72 -6.420 -4.328 9.151 500 HG2 GLU 72 HG2 GLU 72 -6.439 -1.578 10.443 501 HG3 GLU 72 HG3 GLU 72 -7.574 -2.868 10.824 502 H SER 73 H SER 73 -5.700 -3.241 5.910 503 HA SER 73 HA SER 73 -4.676 -5.905 5.576 504 HB2 SER 73 HB2 SER 73 -5.475 -3.746 3.599 505 HB3 SER 73 HB3 SER 73 -4.933 -5.352 3.100 506 HG SER 73 HG SER 73 -7.008 -5.126 5.013 507 H MET 74 H MET 74 -3.210 -2.723 4.611 508 HA MET 74 HA MET 74 -0.845 -4.030 3.630 509 HB2 MET 74 HB2 MET 74 0.021 -1.933 3.116 510 HB3 MET 74 HB3 MET 74 -1.705 -1.865 2.804 511 HG2 MET 74 HG2 MET 74 -1.265 0.181 3.779 512 HG3 MET 74 HG3 MET 74 -1.908 -0.751 5.123 513 HE1 MET 74 HE1 MET 74 0.617 1.709 6.816 514 HE2 MET 74 HE2 MET 74 -0.386 2.034 5.387 515 HE3 MET 74 HE3 MET 74 -1.053 1.109 6.754 516 H ARG 75 H ARG 75 -1.546 -2.510 6.816 517 HA ARG 75 HA ARG 75 0.971 -3.059 7.984 518 HB2 ARG 75 HB2 ARG 75 -1.828 -2.915 9.148 519 HB3 ARG 75 HB3 ARG 75 -0.402 -3.213 10.152 520 HG2 ARG 75 HG2 ARG 75 0.643 -1.142 9.479 521 HG3 ARG 75 HG3 ARG 75 -0.618 -0.815 8.284 522 HD2 ARG 75 HD2 ARG 75 -2.300 -0.601 10.063 523 HD3 ARG 75 HD3 ARG 75 -1.068 -0.976 11.288 524 HE ARG 75 HE ARG 75 -0.038 1.155 9.829 525 HH11 ARG 75 HH11 ARG 75 -2.948 0.649 11.823 526 HH12 ARG 75 HH12 ARG 75 -3.028 2.325 12.315 527 HH21 ARG 75 HH21 ARG 75 -0.162 3.307 10.510 528 HH22 ARG 75 HH22 ARG 75 -1.449 3.830 11.570 529 H ALA 76 H ALA 76 -1.858 -5.256 7.622 530 HA ALA 76 HA ALA 76 -0.614 -7.566 8.746 531 HB1 ALA 76 HB1 ALA 76 -3.026 -7.401 8.360 532 HB2 ALA 76 HB2 ALA 76 -2.774 -7.375 6.605 533 HB3 ALA 76 HB3 ALA 76 -2.357 -8.818 7.549 534 H LEU 77 H LEU 77 -0.601 -6.388 5.321 535 HA LEU 77 HA LEU 77 0.863 -8.570 4.257 536 HB2 LEU 77 HB2 LEU 77 -0.401 -6.926 2.971 537 HB3 LEU 77 HB3 LEU 77 0.759 -5.660 3.351 538 HG LEU 77 HG LEU 77 1.699 -8.182 1.960 539 HD11 LEU 77 HD11 LEU 77 -0.226 -7.531 0.666 540 HD12 LEU 77 HD12 LEU 77 1.225 -7.071 -0.220 541 HD13 LEU 77 HD13 LEU 77 0.281 -5.832 0.652 542 HD21 LEU 77 HD21 LEU 77 3.444 -6.518 2.597 543 HD22 LEU 77 HD22 LEU 77 2.545 -5.246 1.743 544 HD23 LEU 77 HD23 LEU 77 3.268 -6.601 0.851 545 H GLY 78 H GLY 78 2.083 -5.489 5.609 546 HA2 GLY 78 HA2 GLY 78 4.884 -6.095 5.364 547 HA3 GLY 78 HA3 GLY 78 4.153 -4.880 6.422 548 H PHE 79 H PHE 79 2.543 -6.719 7.975 549 HA PHE 79 HA PHE 79 4.385 -7.806 9.906 550 HB2 PHE 79 HB2 PHE 79 2.179 -6.955 10.470 551 HB3 PHE 79 HB3 PHE 79 1.405 -8.159 9.456 552 HD1 PHE 79 HD1 PHE 79 3.292 -7.617 12.612 553 HD2 PHE 79 HD2 PHE 79 0.946 -10.365 10.255 554 HE1 PHE 79 HE1 PHE 79 3.055 -9.112 14.579 555 HE2 PHE 79 HE2 PHE 79 0.734 -11.866 12.220 556 HZ PHE 79 HZ PHE 79 1.802 -11.250 14.373 557 H LYS 80 H LYS 80 2.441 -9.402 7.344 558 HA LYS 80 HA LYS 80 3.405 -12.068 7.882 559 HB2 LYS 80 HB2 LYS 80 1.308 -11.617 6.728 560 HB3 LYS 80 HB3 LYS 80 2.174 -10.850 5.380 561 HG2 LYS 80 HG2 LYS 80 3.314 -12.994 4.895 562 HG3 LYS 80 HG3 LYS 80 2.479 -13.743 6.275 563 HD2 LYS 80 HD2 LYS 80 0.325 -13.497 5.150 564 HD3 LYS 80 HD3 LYS 80 1.061 -12.528 3.871 565 HE2 LYS 80 HE2 LYS 80 0.694 -14.811 3.093 566 HE3 LYS 80 HE3 LYS 80 2.410 -14.411 3.110 567 HZ1 LYS 80 HZ1 LYS 80 2.006 -16.612 3.999 568 HZ2 LYS 80 HZ2 LYS 80 1.048 -16.045 5.205 569 HZ3 LYS 80 HZ3 LYS 80 2.637 -15.664 5.176 570 H ILE 81 H ILE 81 4.359 -9.693 5.579 571 HA ILE 81 HA ILE 81 5.945 -9.410 4.058 572 HB ILE 81 HB ILE 81 7.253 -8.801 5.977 573 HG12 ILE 81 HG12 ILE 81 9.515 -8.959 4.924 574 HG13 ILE 81 HG13 ILE 81 8.859 -10.052 3.709 575 HG21 ILE 81 HG21 ILE 81 9.022 -10.186 6.880 576 HG22 ILE 81 HG22 ILE 81 7.471 -10.983 7.130 577 HG23 ILE 81 HG23 ILE 81 8.561 -11.539 5.840 578 HD11 ILE 81 HD11 ILE 81 9.042 -7.708 2.910 579 HD12 ILE 81 HD12 ILE 81 7.354 -8.238 2.902 580 HD13 ILE 81 HD13 ILE 81 7.947 -7.175 4.200 Start of MODEL 16 1 H ASN 1 H ASN 1 -10.466 5.354 -18.245 2 HA ASN 1 HA ASN 1 -8.799 6.151 -16.820 3 HB2 ASN 1 HB2 ASN 1 -10.569 7.707 -17.133 4 HB3 ASN 1 HB3 ASN 1 -11.639 6.889 -16.012 5 HD21 ASN 1 HD21 ASN 1 -8.663 8.915 -16.196 6 HD22 ASN 1 HD22 ASN 1 -8.945 9.521 -14.578 7 H GLY 2 H GLY 2 -11.375 4.945 -14.594 8 HA2 GLY 2 HA2 GLY 2 -11.217 3.919 -12.547 9 HA3 GLY 2 HA3 GLY 2 -9.792 3.095 -13.175 10 H ASN 3 H ASN 3 -9.697 6.627 -12.871 11 HA ASN 3 HA ASN 3 -7.474 6.460 -11.088 12 HB2 ASN 3 HB2 ASN 3 -8.963 8.662 -12.418 13 HB3 ASN 3 HB3 ASN 3 -8.125 9.080 -10.947 14 HD21 ASN 3 HD21 ASN 3 -6.203 9.970 -11.445 15 HD22 ASN 3 HD22 ASN 3 -5.044 9.179 -12.485 16 H ILE 4 H ILE 4 -7.115 7.320 -9.122 17 HA ILE 4 HA ILE 4 -9.108 6.743 -7.055 18 HB ILE 4 HB ILE 4 -6.170 7.477 -7.225 19 HG12 ILE 4 HG12 ILE 4 -6.104 5.503 -5.497 20 HG13 ILE 4 HG13 ILE 4 -7.767 5.190 -5.910 21 HG21 ILE 4 HG21 ILE 4 -6.865 8.877 -5.346 22 HG22 ILE 4 HG22 ILE 4 -7.894 7.564 -4.691 23 HG23 ILE 4 HG23 ILE 4 -6.139 7.459 -4.666 24 HD11 ILE 4 HD11 ILE 4 -5.311 5.159 -7.725 25 HD12 ILE 4 HD12 ILE 4 -6.143 3.749 -7.070 26 HD13 ILE 4 HD13 ILE 4 -6.970 4.764 -8.281 27 H ASN 5 H ASN 5 -7.570 9.571 -8.324 28 HA ASN 5 HA ASN 5 -7.628 11.795 -7.937 29 HB2 ASN 5 HB2 ASN 5 -10.166 11.366 -8.079 30 HB3 ASN 5 HB3 ASN 5 -10.185 11.609 -6.336 31 HD21 ASN 5 HD21 ASN 5 -10.304 13.221 -9.311 32 HD22 ASN 5 HD22 ASN 5 -9.840 14.829 -8.740 33 H TRP 6 H TRP 6 -5.714 11.563 -6.807 34 HA TRP 6 HA TRP 6 -5.488 10.719 -4.071 35 HB2 TRP 6 HB2 TRP 6 -3.469 12.313 -5.667 36 HB3 TRP 6 HB3 TRP 6 -3.160 11.289 -4.270 37 HD1 TRP 6 HD1 TRP 6 -3.075 11.241 -7.881 38 HE1 TRP 6 HE1 TRP 6 -2.937 8.879 -8.883 39 HE3 TRP 6 HE3 TRP 6 -3.930 8.584 -3.621 40 HZ2 TRP 6 HZ2 TRP 6 -2.860 6.186 -7.850 41 HZ3 TRP 6 HZ3 TRP 6 -3.749 6.128 -3.659 42 HH2 TRP 6 HH2 TRP 6 -3.292 4.899 -5.752 43 H ASN 7 H ASN 7 -6.227 13.869 -5.339 44 HA ASN 7 HA ASN 7 -5.563 15.525 -3.102 45 HB2 ASN 7 HB2 ASN 7 -6.177 16.401 -5.262 46 HB3 ASN 7 HB3 ASN 7 -7.777 15.666 -5.173 47 HD21 ASN 7 HD21 ASN 7 -5.624 17.998 -3.518 48 HD22 ASN 7 HD22 ASN 7 -6.942 18.962 -2.877 49 H SER 8 H SER 8 -8.175 13.120 -3.424 50 HA SER 8 HA SER 8 -9.659 13.995 -1.174 51 HB2 SER 8 HB2 SER 8 -10.716 11.804 -1.207 52 HB3 SER 8 HB3 SER 8 -10.670 12.581 -2.789 53 HG SER 8 HG SER 8 -8.878 11.216 -3.319 54 HA PRO 9 HA PRO 9 -6.447 13.390 1.638 55 HB2 PRO 9 HB2 PRO 9 -7.645 13.830 4.091 56 HB3 PRO 9 HB3 PRO 9 -7.307 15.094 2.872 57 HG2 PRO 9 HG2 PRO 9 -9.905 13.598 3.322 58 HG3 PRO 9 HG3 PRO 9 -9.655 15.362 3.136 59 HD2 PRO 9 HD2 PRO 9 -10.440 13.834 1.043 60 HD3 PRO 9 HD3 PRO 9 -9.241 15.145 0.812 61 H CYS 10 H CYS 10 -9.121 11.120 1.960 62 HA CYS 10 HA CYS 10 -7.936 9.555 4.023 63 HB2 CYS 10 HB2 CYS 10 -9.811 8.418 1.972 64 HB3 CYS 10 HB3 CYS 10 -9.610 7.993 3.660 65 H LEU 11 H LEU 11 -7.448 9.316 0.417 66 HA LEU 11 HA LEU 11 -5.118 7.563 1.054 67 HB2 LEU 11 HB2 LEU 11 -5.979 8.639 -1.652 68 HB3 LEU 11 HB3 LEU 11 -4.645 7.556 -1.345 69 HG LEU 11 HG LEU 11 -6.637 6.094 -0.203 70 HD11 LEU 11 HD11 LEU 11 -8.567 6.257 -1.797 71 HD12 LEU 11 HD12 LEU 11 -7.749 7.673 -2.519 72 HD13 LEU 11 HD13 LEU 11 -8.332 7.745 -0.850 73 HD21 LEU 11 HD21 LEU 11 -5.122 5.165 -1.910 74 HD22 LEU 11 HD22 LEU 11 -6.068 5.978 -3.165 75 HD23 LEU 11 HD23 LEU 11 -6.802 4.725 -2.159 76 H GLY 12 H GLY 12 -5.805 10.951 0.585 77 HA2 GLY 12 HA2 GLY 12 -3.497 11.866 -0.708 78 HA3 GLY 12 HA3 GLY 12 -4.456 12.812 0.433 79 H GLY 13 H GLY 13 -3.817 11.150 2.813 80 HA2 GLY 13 HA2 GLY 13 -1.225 12.106 3.579 81 HA3 GLY 13 HA3 GLY 13 -2.175 10.859 4.403 82 H MET 14 H MET 14 -2.301 8.789 2.778 83 HA MET 14 HA MET 14 0.294 7.612 2.891 84 HB2 MET 14 HB2 MET 14 -2.013 6.549 3.231 85 HB3 MET 14 HB3 MET 14 -2.082 6.458 1.504 86 HG2 MET 14 HG2 MET 14 -1.273 4.346 2.438 87 HG3 MET 14 HG3 MET 14 0.016 5.099 1.507 88 HE1 MET 14 HE1 MET 14 -0.116 4.716 6.137 89 HE2 MET 14 HE2 MET 14 -1.233 5.802 5.288 90 HE3 MET 14 HE3 MET 14 -1.322 4.044 5.016 91 H ALA 15 H ALA 15 -1.531 8.826 0.137 92 HA ALA 15 HA ALA 15 0.502 8.064 -1.797 93 HB1 ALA 15 HB1 ALA 15 -1.381 8.021 -2.972 94 HB2 ALA 15 HB2 ALA 15 -2.283 9.067 -1.883 95 HB3 ALA 15 HB3 ALA 15 -1.259 9.783 -3.127 96 H SER 16 H SER 16 0.220 10.837 0.250 97 HA SER 16 HA SER 16 2.382 12.271 -1.159 98 HB2 SER 16 HB2 SER 16 1.301 12.687 1.648 99 HB3 SER 16 HB3 SER 16 2.364 13.778 0.739 100 HG SER 16 HG SER 16 -0.350 13.141 0.351 101 H GLY 17 H GLY 17 4.475 12.784 0.197 102 HA2 GLY 17 HA2 GLY 17 6.024 12.008 2.006 103 HA3 GLY 17 HA3 GLY 17 5.302 10.474 1.923 104 HA PRO 18 HA PRO 18 9.461 10.399 -0.578 105 HB2 PRO 18 HB2 PRO 18 10.211 8.311 1.193 106 HB3 PRO 18 HB3 PRO 18 10.893 9.952 1.012 107 HG2 PRO 18 HG2 PRO 18 8.854 8.968 2.984 108 HG3 PRO 18 HG3 PRO 18 10.114 10.238 3.178 109 HD2 PRO 18 HD2 PRO 18 7.488 10.752 2.854 110 HD3 PRO 18 HD3 PRO 18 8.701 11.831 2.133 111 H CYS 19 H CYS 19 7.190 7.963 0.790 112 HA CYS 19 HA CYS 19 7.758 6.166 -1.501 113 HB2 CYS 19 HB2 CYS 19 6.297 5.632 1.062 114 HB3 CYS 19 HB3 CYS 19 6.702 4.442 -0.172 115 H GLY 20 H GLY 20 5.862 8.624 -1.519 116 HA2 GLY 20 HA2 GLY 20 3.173 8.081 -1.799 117 HA3 GLY 20 HA3 GLY 20 4.048 9.176 -2.857 118 H GLU 21 H GLU 21 5.465 7.692 -4.551 119 HA GLU 21 HA GLU 21 3.502 6.615 -6.288 120 HB2 GLU 21 HB2 GLU 21 6.551 6.505 -6.333 121 HB3 GLU 21 HB3 GLU 21 5.540 5.743 -7.580 122 HG2 GLU 21 HG2 GLU 21 4.287 7.882 -7.767 123 HG3 GLU 21 HG3 GLU 21 5.506 8.676 -6.771 124 H GLN 22 H GLN 22 5.318 4.831 -3.794 125 HA GLN 22 HA GLN 22 4.599 2.312 -4.924 126 HB2 GLN 22 HB2 GLN 22 4.878 2.684 -1.944 127 HB3 GLN 22 HB3 GLN 22 5.294 1.327 -2.986 128 HG2 GLN 22 HG2 GLN 22 6.780 3.890 -2.483 129 HG3 GLN 22 HG3 GLN 22 7.284 2.251 -2.226 130 HE21 GLN 22 HE21 GLN 22 7.913 4.861 -4.006 131 HE22 GLN 22 HE22 GLN 22 8.321 4.151 -5.560 132 H PHE 23 H PHE 23 2.885 4.484 -2.585 133 HA PHE 23 HA PHE 23 0.574 2.798 -2.471 134 HB2 PHE 23 HB2 PHE 23 1.182 4.863 -0.957 135 HB3 PHE 23 HB3 PHE 23 0.390 5.809 -2.197 136 HD1 PHE 23 HD1 PHE 23 -0.250 2.535 -0.474 137 HD2 PHE 23 HD2 PHE 23 -1.941 6.357 -1.573 138 HE1 PHE 23 HE1 PHE 23 -2.302 1.985 0.776 139 HE2 PHE 23 HE2 PHE 23 -3.844 5.878 -0.121 140 HZ PHE 23 HZ PHE 23 -4.134 3.659 0.925 141 H LYS 24 H LYS 24 1.424 5.497 -4.684 142 HA LYS 24 HA LYS 24 -1.058 5.676 -5.990 143 HB2 LYS 24 HB2 LYS 24 1.585 5.998 -7.401 144 HB3 LYS 24 HB3 LYS 24 0.065 6.645 -7.859 145 HG2 LYS 24 HG2 LYS 24 1.573 7.569 -5.402 146 HG3 LYS 24 HG3 LYS 24 1.594 8.337 -6.981 147 HD2 LYS 24 HD2 LYS 24 -0.920 8.512 -6.760 148 HD3 LYS 24 HD3 LYS 24 -0.768 7.969 -5.114 149 HE2 LYS 24 HE2 LYS 24 -0.893 10.367 -5.051 150 HE3 LYS 24 HE3 LYS 24 0.786 9.939 -4.698 151 HZ1 LYS 24 HZ1 LYS 24 -0.265 10.973 -7.293 152 HZ2 LYS 24 HZ2 LYS 24 1.270 10.457 -7.087 153 HZ3 LYS 24 HZ3 LYS 24 0.715 11.738 -6.230 154 H SER 25 H SER 25 1.768 3.823 -6.869 155 HA SER 25 HA SER 25 0.608 2.401 -9.047 156 HB2 SER 25 HB2 SER 25 2.941 2.983 -8.775 157 HB3 SER 25 HB3 SER 25 3.112 1.936 -7.395 158 HG SER 25 HG SER 25 2.348 1.099 -10.049 159 H ALA 26 H ALA 26 1.042 1.399 -5.575 160 HA ALA 26 HA ALA 26 -0.075 -1.193 -5.907 161 HB1 ALA 26 HB1 ALA 26 -0.097 0.644 -3.474 162 HB2 ALA 26 HB2 ALA 26 -0.449 -1.091 -3.456 163 HB3 ALA 26 HB3 ALA 26 1.168 -0.531 -3.897 164 H PHE 27 H PHE 27 -1.852 1.784 -4.774 165 HA PHE 27 HA PHE 27 -4.284 0.280 -4.872 166 HB2 PHE 27 HB2 PHE 27 -3.503 2.555 -3.525 167 HB3 PHE 27 HB3 PHE 27 -4.678 3.176 -4.680 168 HD1 PHE 27 HD1 PHE 27 -4.126 0.373 -2.243 169 HD2 PHE 27 HD2 PHE 27 -7.023 2.957 -4.123 170 HE1 PHE 27 HE1 PHE 27 -5.931 -0.647 -0.867 171 HE2 PHE 27 HE2 PHE 27 -8.810 1.987 -2.676 172 HZ PHE 27 HZ PHE 27 -8.276 0.147 -1.119 173 H SER 28 H SER 28 -2.937 2.608 -7.297 174 HA SER 28 HA SER 28 -5.156 2.308 -9.065 175 HB2 SER 28 HB2 SER 28 -3.698 2.911 -10.862 176 HB3 SER 28 HB3 SER 28 -3.458 3.974 -9.472 177 HG SER 28 HG SER 28 -1.585 3.010 -9.018 178 H CYS 29 H CYS 29 -2.152 0.218 -8.934 179 HA CYS 29 HA CYS 29 -3.038 -1.663 -10.783 180 HB2 CYS 29 HB2 CYS 29 -0.796 -1.556 -9.687 181 HB3 CYS 29 HB3 CYS 29 -1.436 -2.345 -8.271 182 H PHE 30 H PHE 30 -3.929 -1.614 -7.248 183 HA PHE 30 HA PHE 30 -5.701 -3.808 -7.496 184 HB2 PHE 30 HB2 PHE 30 -4.902 -3.051 -5.336 185 HB3 PHE 30 HB3 PHE 30 -5.775 -1.524 -5.513 186 HD1 PHE 30 HD1 PHE 30 -6.380 -5.252 -5.637 187 HD2 PHE 30 HD2 PHE 30 -7.998 -1.364 -4.692 188 HE1 PHE 30 HE1 PHE 30 -8.485 -6.313 -4.855 189 HE2 PHE 30 HE2 PHE 30 -10.128 -2.430 -3.986 190 HZ PHE 30 HZ PHE 30 -10.370 -4.902 -4.056 191 H HIS 31 H HIS 31 -6.498 -0.298 -7.888 192 HA HIS 31 HA HIS 31 -9.274 -0.693 -8.397 193 HB2 HIS 31 HB2 HIS 31 -7.311 1.520 -8.893 194 HB3 HIS 31 HB3 HIS 31 -8.792 1.541 -9.829 195 HD1 HIS 31 HD1 HIS 31 -10.376 3.241 -8.694 196 HD2 HIS 31 HD2 HIS 31 -8.340 0.702 -6.016 197 HE1 HIS 31 HE1 HIS 31 -11.309 3.736 -6.384 198 H TYR 32 H TYR 32 -6.592 -1.076 -10.608 199 HA TYR 32 HA TYR 32 -8.397 -1.838 -12.798 200 HB2 TYR 32 HB2 TYR 32 -5.380 -1.951 -12.599 201 HB3 TYR 32 HB3 TYR 32 -6.338 -2.116 -14.065 202 HD1 TYR 32 HD1 TYR 32 -8.230 0.041 -14.107 203 HD2 TYR 32 HD2 TYR 32 -4.251 0.093 -12.468 204 HE1 TYR 32 HE1 TYR 32 -8.072 2.480 -14.554 205 HE2 TYR 32 HE2 TYR 32 -4.069 2.519 -12.974 206 HH TYR 32 HH TYR 32 -6.794 4.390 -14.311 207 H SER 33 H SER 33 -7.174 -3.501 -10.123 208 HA SER 33 HA SER 33 -7.104 -6.177 -11.400 209 HB2 SER 33 HB2 SER 33 -5.362 -5.521 -9.673 210 HB3 SER 33 HB3 SER 33 -6.658 -5.450 -8.483 211 HG SER 33 HG SER 33 -5.709 -7.667 -9.970 212 H THR 34 H THR 34 -8.667 -4.945 -8.415 213 HA THR 34 HA THR 34 -10.667 -5.352 -7.409 214 HB THR 34 HB THR 34 -12.729 -5.386 -8.747 215 HG1 THR 34 HG1 THR 34 -10.999 -6.156 -10.668 216 HG21 THR 34 HG21 THR 34 -10.726 -3.330 -9.764 217 HG22 THR 34 HG22 THR 34 -11.584 -3.238 -8.208 218 HG23 THR 34 HG23 THR 34 -12.495 -3.185 -9.725 219 H GLU 35 H GLU 35 -8.979 -7.547 -7.578 220 HA GLU 35 HA GLU 35 -10.333 -9.918 -8.523 221 HB2 GLU 35 HB2 GLU 35 -7.774 -9.263 -7.094 222 HB3 GLU 35 HB3 GLU 35 -8.313 -10.935 -7.066 223 HG2 GLU 35 HG2 GLU 35 -8.123 -9.406 -9.682 224 HG3 GLU 35 HG3 GLU 35 -6.709 -10.152 -8.943 225 H GLU 36 H GLU 36 -9.275 -9.263 -5.181 226 HA GLU 36 HA GLU 36 -11.552 -10.663 -3.976 227 HB2 GLU 36 HB2 GLU 36 -10.294 -12.525 -5.030 228 HB3 GLU 36 HB3 GLU 36 -8.837 -12.069 -4.158 229 HG2 GLU 36 HG2 GLU 36 -9.735 -12.749 -2.063 230 HG3 GLU 36 HG3 GLU 36 -11.393 -12.706 -2.665 231 H ILE 37 H ILE 37 -8.096 -9.997 -3.491 232 HA ILE 37 HA ILE 37 -8.738 -8.427 -1.015 233 HB ILE 37 HB ILE 37 -6.703 -10.617 -1.436 234 HG12 ILE 37 HG12 ILE 37 -8.613 -9.849 0.801 235 HG13 ILE 37 HG13 ILE 37 -8.833 -11.103 -0.424 236 HG21 ILE 37 HG21 ILE 37 -5.272 -8.739 -0.733 237 HG22 ILE 37 HG22 ILE 37 -6.335 -8.462 0.679 238 HG23 ILE 37 HG23 ILE 37 -5.396 -9.957 0.506 239 HD11 ILE 37 HD11 ILE 37 -8.232 -12.134 1.659 240 HD12 ILE 37 HD12 ILE 37 -6.888 -12.348 0.517 241 HD13 ILE 37 HD13 ILE 37 -6.788 -11.138 1.825 242 H LYS 38 H LYS 38 -7.450 -6.630 -0.594 243 HA LYS 38 HA LYS 38 -6.544 -4.954 -2.637 244 HB2 LYS 38 HB2 LYS 38 -5.418 -5.120 0.174 245 HB3 LYS 38 HB3 LYS 38 -5.247 -3.772 -0.943 246 HG2 LYS 38 HG2 LYS 38 -7.715 -4.688 0.535 247 HG3 LYS 38 HG3 LYS 38 -6.857 -3.130 0.576 248 HD2 LYS 38 HD2 LYS 38 -7.599 -2.709 -1.775 249 HD3 LYS 38 HD3 LYS 38 -8.490 -4.240 -1.773 250 HE2 LYS 38 HE2 LYS 38 -9.001 -1.983 0.162 251 HE3 LYS 38 HE3 LYS 38 -9.860 -2.164 -1.375 252 HZ1 LYS 38 HZ1 LYS 38 -10.456 -4.480 -0.503 253 HZ2 LYS 38 HZ2 LYS 38 -11.253 -3.201 0.134 254 HZ3 LYS 38 HZ3 LYS 38 -10.056 -3.932 0.989 255 H GLY 39 H GLY 39 -5.178 -5.813 -4.244 256 HA2 GLY 39 HA2 GLY 39 -3.052 -6.098 -5.102 257 HA3 GLY 39 HA3 GLY 39 -2.372 -6.163 -3.479 258 H SER 40 H SER 40 -4.903 -8.512 -3.815 259 HA SER 40 HA SER 40 -3.291 -10.766 -3.528 260 HB2 SER 40 HB2 SER 40 -5.212 -12.068 -4.196 261 HB3 SER 40 HB3 SER 40 -5.767 -10.643 -3.320 262 HG SER 40 HG SER 40 -6.118 -11.356 -5.967 263 H ASP 41 H ASP 41 -3.881 -9.112 -6.567 264 HA ASP 41 HA ASP 41 -1.885 -10.926 -7.826 265 HB2 ASP 41 HB2 ASP 41 -4.246 -11.364 -8.541 266 HB3 ASP 41 HB3 ASP 41 -4.319 -9.729 -9.177 267 H CYS 42 H CYS 42 -1.835 -8.179 -6.528 268 HA CYS 42 HA CYS 42 -0.048 -6.841 -8.533 269 HB2 CYS 42 HB2 CYS 42 -2.320 -5.653 -6.925 270 HB3 CYS 42 HB3 CYS 42 -0.982 -4.649 -7.434 271 H VAL 43 H VAL 43 0.276 -8.545 -6.048 272 HA VAL 43 HA VAL 43 0.921 -7.101 -3.756 273 HB VAL 43 HB VAL 43 0.542 -9.336 -3.424 274 HG11 VAL 43 HG11 VAL 43 0.881 -10.277 -5.590 275 HG12 VAL 43 HG12 VAL 43 2.636 -9.976 -5.518 276 HG13 VAL 43 HG13 VAL 43 1.871 -11.189 -4.460 277 HG21 VAL 43 HG21 VAL 43 2.468 -8.547 -2.011 278 HG22 VAL 43 HG22 VAL 43 2.424 -10.295 -2.282 279 HG23 VAL 43 HG23 VAL 43 3.577 -9.290 -3.174 280 H ASP 44 H ASP 44 3.147 -7.636 -6.510 281 HA ASP 44 HA ASP 44 5.518 -7.001 -5.133 282 HB2 ASP 44 HB2 ASP 44 5.318 -7.941 -7.442 283 HB3 ASP 44 HB3 ASP 44 4.858 -6.331 -8.017 284 H GLN 45 H GLN 45 3.033 -4.780 -6.365 285 HA GLN 45 HA GLN 45 4.506 -2.335 -5.895 286 HB2 GLN 45 HB2 GLN 45 1.564 -2.960 -6.256 287 HB3 GLN 45 HB3 GLN 45 2.191 -1.344 -5.912 288 HG2 GLN 45 HG2 GLN 45 1.849 -1.619 -8.288 289 HG3 GLN 45 HG3 GLN 45 3.522 -1.297 -7.890 290 HE21 GLN 45 HE21 GLN 45 1.263 -3.866 -8.966 291 HE22 GLN 45 HE22 GLN 45 2.519 -4.906 -9.604 292 H PHE 46 H PHE 46 2.149 -4.180 -3.891 293 HA PHE 46 HA PHE 46 2.283 -2.401 -1.622 294 HB2 PHE 46 HB2 PHE 46 1.557 -5.336 -1.824 295 HB3 PHE 46 HB3 PHE 46 1.325 -4.343 -0.396 296 HD1 PHE 46 HD1 PHE 46 0.194 -4.618 -3.983 297 HD2 PHE 46 HD2 PHE 46 -0.698 -3.148 -0.015 298 HE1 PHE 46 HE1 PHE 46 -1.981 -3.712 -4.778 299 HE2 PHE 46 HE2 PHE 46 -2.844 -2.299 -0.793 300 HZ PHE 46 HZ PHE 46 -3.506 -2.553 -3.197 301 H ARG 47 H ARG 47 4.089 -5.374 -2.488 302 HA ARG 47 HA ARG 47 5.821 -5.374 -0.286 303 HB2 ARG 47 HB2 ARG 47 5.645 -7.255 -1.806 304 HB3 ARG 47 HB3 ARG 47 6.384 -6.320 -3.121 305 HG2 ARG 47 HG2 ARG 47 8.488 -6.162 -1.963 306 HG3 ARG 47 HG3 ARG 47 7.777 -6.739 -0.448 307 HD2 ARG 47 HD2 ARG 47 7.406 -8.958 -1.452 308 HD3 ARG 47 HD3 ARG 47 8.149 -8.397 -2.968 309 HE ARG 47 HE ARG 47 10.071 -7.785 -1.160 310 HH11 ARG 47 HH11 ARG 47 8.304 -10.839 -1.681 311 HH12 ARG 47 HH12 ARG 47 9.629 -11.821 -1.090 312 HH21 ARG 47 HH21 ARG 47 11.745 -9.092 -0.388 313 HH22 ARG 47 HH22 ARG 47 11.565 -10.832 -0.344 314 H ALA 48 H ALA 48 6.217 -3.603 -3.427 315 HA ALA 48 HA ALA 48 8.622 -2.311 -2.711 316 HB1 ALA 48 HB1 ALA 48 8.104 -0.694 -4.368 317 HB2 ALA 48 HB2 ALA 48 7.745 -2.340 -4.954 318 HB3 ALA 48 HB3 ALA 48 6.410 -1.258 -4.457 319 H MET 49 H MET 49 5.215 -1.345 -2.000 320 HA MET 49 HA MET 49 5.827 1.017 -0.602 321 HB2 MET 49 HB2 MET 49 3.559 0.445 -1.271 322 HB3 MET 49 HB3 MET 49 3.547 -0.936 -0.172 323 HG2 MET 49 HG2 MET 49 3.740 0.522 1.768 324 HG3 MET 49 HG3 MET 49 3.927 1.926 0.718 325 HE1 MET 49 HE1 MET 49 -0.046 -0.453 1.115 326 HE2 MET 49 HE2 MET 49 1.192 -0.956 -0.056 327 HE3 MET 49 HE3 MET 49 1.538 -1.031 1.689 328 H GLN 50 H GLN 50 5.626 -2.306 0.838 329 HA GLN 50 HA GLN 50 6.563 -1.463 3.373 330 HB2 GLN 50 HB2 GLN 50 5.492 -3.606 2.872 331 HB3 GLN 50 HB3 GLN 50 6.910 -4.169 2.004 332 HG2 GLN 50 HG2 GLN 50 7.219 -3.212 4.871 333 HG3 GLN 50 HG3 GLN 50 6.412 -4.742 4.582 334 HE21 GLN 50 HE21 GLN 50 8.452 -5.116 6.094 335 HE22 GLN 50 HE22 GLN 50 9.755 -5.867 5.173 336 H GLU 51 H GLU 51 8.433 -2.754 0.702 337 HA GLU 51 HA GLU 51 11.104 -2.528 1.620 338 HB2 GLU 51 HB2 GLU 51 10.278 -3.786 -0.282 339 HB3 GLU 51 HB3 GLU 51 9.766 -2.340 -1.089 340 HG2 GLU 51 HG2 GLU 51 11.743 -1.798 -1.937 341 HG3 GLU 51 HG3 GLU 51 12.695 -2.598 -0.647 342 H CYS 52 H CYS 52 9.047 0.027 0.349 343 HA CYS 52 HA CYS 52 11.234 2.004 0.564 344 HB2 CYS 52 HB2 CYS 52 9.616 2.067 -1.319 345 HB3 CYS 52 HB3 CYS 52 8.309 2.369 -0.221 346 H MET 53 H MET 53 8.180 1.262 2.355 347 HA MET 53 HA MET 53 8.470 3.682 3.907 348 HB2 MET 53 HB2 MET 53 6.479 1.398 4.091 349 HB3 MET 53 HB3 MET 53 6.477 2.779 5.193 350 HG2 MET 53 HG2 MET 53 6.315 4.342 3.293 351 HG3 MET 53 HG3 MET 53 6.236 2.980 2.174 352 HE1 MET 53 HE1 MET 53 4.126 5.401 2.295 353 HE2 MET 53 HE2 MET 53 4.145 4.080 1.113 354 HE3 MET 53 HE3 MET 53 2.646 4.466 1.980 355 H GLN 54 H GLN 54 9.505 0.460 4.355 356 HA GLN 54 HA GLN 54 10.354 0.329 6.984 357 HB2 GLN 54 HB2 GLN 54 12.057 -1.164 6.046 358 HB3 GLN 54 HB3 GLN 54 10.542 -1.377 5.261 359 HG2 GLN 54 HG2 GLN 54 11.997 -1.478 3.508 360 HG3 GLN 54 HG3 GLN 54 11.476 0.185 3.406 361 HE21 GLN 54 HE21 GLN 54 13.460 -0.025 2.008 362 HE22 GLN 54 HE22 GLN 54 14.983 0.451 2.748 363 H LYS 55 H LYS 55 11.578 2.560 4.533 364 HA LYS 55 HA LYS 55 13.963 3.428 5.909 365 HB2 LYS 55 HB2 LYS 55 12.236 4.931 3.901 366 HB3 LYS 55 HB3 LYS 55 13.866 5.369 4.408 367 HG2 LYS 55 HG2 LYS 55 14.820 3.371 3.409 368 HG3 LYS 55 HG3 LYS 55 13.224 2.709 3.078 369 HD2 LYS 55 HD2 LYS 55 14.076 3.503 1.020 370 HD3 LYS 55 HD3 LYS 55 12.760 4.582 1.499 371 HE2 LYS 55 HE2 LYS 55 14.427 6.234 2.330 372 HE3 LYS 55 HE3 LYS 55 15.737 5.123 1.909 373 HZ1 LYS 55 HZ1 LYS 55 15.038 5.289 -0.424 374 HZ2 LYS 55 HZ2 LYS 55 15.442 6.754 0.175 375 HZ3 LYS 55 HZ3 LYS 55 13.862 6.368 -0.041 376 H TYR 56 H TYR 56 10.586 4.551 6.228 377 HA TYR 56 HA TYR 56 11.553 6.629 8.169 378 HB2 TYR 56 HB2 TYR 56 9.657 7.357 6.050 379 HB3 TYR 56 HB3 TYR 56 10.488 8.278 7.275 380 HD1 TYR 56 HD1 TYR 56 13.203 7.798 7.218 381 HD2 TYR 56 HD2 TYR 56 10.495 7.619 3.870 382 HE1 TYR 56 HE1 TYR 56 15.045 8.328 5.714 383 HE2 TYR 56 HE2 TYR 56 12.325 8.300 2.333 384 HH TYR 56 HH TYR 56 14.520 8.986 2.214 385 HA PRO 57 HA PRO 57 8.005 4.681 10.152 386 HB2 PRO 57 HB2 PRO 57 8.378 5.498 12.721 387 HB3 PRO 57 HB3 PRO 57 9.508 4.374 11.902 388 HG2 PRO 57 HG2 PRO 57 9.775 7.398 12.159 389 HG3 PRO 57 HG3 PRO 57 10.991 6.146 12.597 390 HD2 PRO 57 HD2 PRO 57 11.049 7.412 10.206 391 HD3 PRO 57 HD3 PRO 57 11.430 5.668 10.332 392 H ASP 58 H ASP 58 8.399 8.170 10.171 393 HA ASP 58 HA ASP 58 5.505 8.701 10.507 394 HB2 ASP 58 HB2 ASP 58 7.576 9.503 12.550 395 HB3 ASP 58 HB3 ASP 58 6.011 10.269 12.450 396 H LEU 59 H LEU 59 8.169 9.504 8.744 397 HA LEU 59 HA LEU 59 8.792 11.979 10.079 398 HB2 LEU 59 HB2 LEU 59 10.872 11.631 9.349 399 HB3 LEU 59 HB3 LEU 59 10.286 10.041 9.178 400 HG LEU 59 HG LEU 59 11.566 10.267 7.348 401 HD11 LEU 59 HD11 LEU 59 10.263 10.142 5.443 402 HD12 LEU 59 HD12 LEU 59 9.134 11.393 5.969 403 HD13 LEU 59 HD13 LEU 59 9.089 9.798 6.738 404 HD21 LEU 59 HD21 LEU 59 10.545 13.006 6.616 405 HD22 LEU 59 HD22 LEU 59 11.773 12.034 5.802 406 HD23 LEU 59 HD23 LEU 59 12.099 12.657 7.440 407 H TYR 60 H TYR 60 6.713 11.469 7.688 408 HA TYR 60 HA TYR 60 7.337 13.817 6.029 409 HB2 TYR 60 HB2 TYR 60 5.599 12.468 4.464 410 HB3 TYR 60 HB3 TYR 60 7.293 12.134 4.590 411 HD1 TYR 60 HD1 TYR 60 4.236 11.154 6.630 412 HD2 TYR 60 HD2 TYR 60 7.892 9.903 4.729 413 HE1 TYR 60 HE1 TYR 60 4.036 8.897 7.630 414 HE2 TYR 60 HE2 TYR 60 7.673 7.733 5.597 415 HH TYR 60 HH TYR 60 6.590 6.397 7.205 416 H GLU 61 H GLU 61 -14.663 15.489 11.679 417 HA GLU 61 HA GLU 61 -13.143 15.109 9.881 418 HB2 GLU 61 HB2 GLU 61 -11.837 13.150 11.818 419 HB3 GLU 61 HB3 GLU 61 -11.536 13.192 10.073 420 HG2 GLU 61 HG2 GLU 61 -10.937 15.645 10.335 421 HG3 GLU 61 HG3 GLU 61 -10.986 15.403 12.080 422 H HIS 62 H HIS 62 -13.565 13.500 8.371 423 HA HIS 62 HA HIS 62 -15.700 11.526 9.096 424 HB2 HIS 62 HB2 HIS 62 -16.697 11.941 6.925 425 HB3 HIS 62 HB3 HIS 62 -16.603 13.422 7.866 426 HD1 HIS 62 HD1 HIS 62 -14.828 11.747 4.837 427 HD2 HIS 62 HD2 HIS 62 -15.397 15.472 6.726 428 HE1 HIS 62 HE1 HIS 62 -13.823 13.501 3.286 429 H CYS 63 H CYS 63 -12.622 11.938 7.349 430 HA CYS 63 HA CYS 63 -12.654 9.601 5.815 431 HB2 CYS 63 HB2 CYS 63 -10.415 11.033 7.243 432 HB3 CYS 63 HB3 CYS 63 -10.114 9.502 6.443 433 H GLY 64 H GLY 64 -12.224 7.518 6.098 434 HA2 GLY 64 HA2 GLY 64 -11.630 6.081 8.488 435 HA3 GLY 64 HA3 GLY 64 -13.384 6.311 8.385 436 H HIS 65 H HIS 65 -13.408 3.999 8.179 437 HA HIS 65 HA HIS 65 -13.691 2.034 7.102 438 HB2 HIS 65 HB2 HIS 65 -15.682 3.340 6.478 439 HB3 HIS 65 HB3 HIS 65 -14.931 3.752 4.939 440 HD1 HIS 65 HD1 HIS 65 -15.469 0.368 6.828 441 HD2 HIS 65 HD2 HIS 65 -16.016 2.219 3.101 442 HE1 HIS 65 HE1 HIS 65 -16.315 -1.452 5.255 443 H LEU 66 H LEU 66 -13.129 3.491 3.853 444 HA LEU 66 HA LEU 66 -11.444 1.479 3.024 445 HB2 LEU 66 HB2 LEU 66 -10.753 2.769 1.178 446 HB3 LEU 66 HB3 LEU 66 -12.441 3.120 1.488 447 HG LEU 66 HG LEU 66 -10.257 5.008 2.469 448 HD11 LEU 66 HD11 LEU 66 -11.553 4.992 -0.284 449 HD12 LEU 66 HD12 LEU 66 -9.842 4.672 0.079 450 HD13 LEU 66 HD13 LEU 66 -10.508 6.275 0.374 451 HD21 LEU 66 HD21 LEU 66 -12.027 6.706 2.182 452 HD22 LEU 66 HD22 LEU 66 -12.572 5.441 3.280 453 HD23 LEU 66 HD23 LEU 66 -13.150 5.459 1.605 454 H ILE 67 H ILE 67 -10.362 4.338 4.860 455 HA ILE 67 HA ILE 67 -7.581 3.783 4.588 456 HB ILE 67 HB ILE 67 -8.876 5.912 5.321 457 HG12 ILE 67 HG12 ILE 67 -6.539 5.947 4.859 458 HG13 ILE 67 HG13 ILE 67 -6.937 6.948 6.242 459 HG21 ILE 67 HG21 ILE 67 -8.918 6.437 7.666 460 HG22 ILE 67 HG22 ILE 67 -9.862 4.964 7.384 461 HG23 ILE 67 HG23 ILE 67 -8.252 4.854 8.101 462 HD11 ILE 67 HD11 ILE 67 -5.458 4.295 6.249 463 HD12 ILE 67 HD12 ILE 67 -4.848 5.890 6.680 464 HD13 ILE 67 HD13 ILE 67 -6.022 5.099 7.740 465 H GLU 68 H GLU 68 -9.923 2.646 7.023 466 HA GLU 68 HA GLU 68 -8.018 1.234 8.658 467 HB2 GLU 68 HB2 GLU 68 -10.959 0.633 8.167 468 HB3 GLU 68 HB3 GLU 68 -10.003 0.030 9.502 469 HG2 GLU 68 HG2 GLU 68 -10.615 2.988 9.012 470 HG3 GLU 68 HG3 GLU 68 -11.560 1.920 10.036 471 H ALA 69 H ALA 69 -9.853 0.271 5.733 472 HA ALA 69 HA ALA 69 -8.693 -2.356 5.566 473 HB1 ALA 69 HB1 ALA 69 -9.483 -2.112 3.132 474 HB2 ALA 69 HB2 ALA 69 -10.700 -2.042 4.414 475 HB3 ALA 69 HB3 ALA 69 -10.157 -0.549 3.631 476 H HIS 70 H HIS 70 -7.577 0.793 4.119 477 HA HIS 70 HA HIS 70 -5.314 -0.233 2.775 478 HB2 HIS 70 HB2 HIS 70 -5.404 2.368 4.368 479 HB3 HIS 70 HB3 HIS 70 -4.268 1.951 3.107 480 HD1 HIS 70 HD1 HIS 70 -7.065 0.967 1.222 481 HD2 HIS 70 HD2 HIS 70 -5.907 4.651 2.905 482 HE1 HIS 70 HE1 HIS 70 -8.138 2.813 -0.170 483 H LYS 71 H LYS 71 -5.548 0.905 6.117 484 HA LYS 71 HA LYS 71 -2.984 0.305 7.099 485 HB2 LYS 71 HB2 LYS 71 -4.820 1.700 8.145 486 HB3 LYS 71 HB3 LYS 71 -5.628 0.211 8.628 487 HG2 LYS 71 HG2 LYS 71 -3.558 -0.368 9.982 488 HG3 LYS 71 HG3 LYS 71 -2.913 1.228 9.553 489 HD2 LYS 71 HD2 LYS 71 -5.074 2.211 10.542 490 HD3 LYS 71 HD3 LYS 71 -5.406 0.593 11.189 491 HE2 LYS 71 HE2 LYS 71 -3.191 0.685 12.404 492 HE3 LYS 71 HE3 LYS 71 -2.951 2.315 11.754 493 HZ1 LYS 71 HZ1 LYS 71 -3.880 2.743 13.809 494 HZ2 LYS 71 HZ2 LYS 71 -4.908 1.449 13.778 495 HZ3 LYS 71 HZ3 LYS 71 -5.228 2.768 12.870 496 H GLU 72 H GLU 72 -5.909 -1.753 7.365 497 HA GLU 72 HA GLU 72 -4.522 -3.896 8.674 498 HB2 GLU 72 HB2 GLU 72 -7.234 -3.629 7.348 499 HB3 GLU 72 HB3 GLU 72 -6.693 -5.170 8.006 500 HG2 GLU 72 HG2 GLU 72 -6.510 -2.711 9.761 501 HG3 GLU 72 HG3 GLU 72 -8.066 -3.469 9.502 502 H SER 73 H SER 73 -5.417 -3.481 5.189 503 HA SER 73 HA SER 73 -4.410 -6.072 4.458 504 HB2 SER 73 HB2 SER 73 -4.958 -3.557 2.857 505 HB3 SER 73 HB3 SER 73 -4.314 -5.042 2.137 506 HG SER 73 HG SER 73 -6.644 -5.081 3.766 507 H MET 74 H MET 74 -2.781 -2.786 4.323 508 HA MET 74 HA MET 74 -0.359 -3.971 3.436 509 HB2 MET 74 HB2 MET 74 0.681 -1.904 3.703 510 HB3 MET 74 HB3 MET 74 -0.974 -1.591 3.169 511 HG2 MET 74 HG2 MET 74 -1.523 -1.147 5.630 512 HG3 MET 74 HG3 MET 74 0.199 -1.224 5.965 513 HE1 MET 74 HE1 MET 74 1.729 0.275 3.755 514 HE2 MET 74 HE2 MET 74 1.624 1.967 4.275 515 HE3 MET 74 HE3 MET 74 1.906 0.686 5.477 516 H ARG 75 H ARG 75 -1.515 -3.505 6.800 517 HA ARG 75 HA ARG 75 0.791 -4.542 8.082 518 HB2 ARG 75 HB2 ARG 75 -1.124 -3.466 9.200 519 HB3 ARG 75 HB3 ARG 75 -2.131 -4.877 8.860 520 HG2 ARG 75 HG2 ARG 75 -0.588 -6.280 10.245 521 HG3 ARG 75 HG3 ARG 75 0.387 -4.830 10.579 522 HD2 ARG 75 HD2 ARG 75 -1.659 -3.750 11.558 523 HD3 ARG 75 HD3 ARG 75 -2.544 -5.258 11.306 524 HE ARG 75 HE ARG 75 -0.976 -6.375 12.838 525 HH11 ARG 75 HH11 ARG 75 -1.148 -2.814 13.095 526 HH12 ARG 75 HH12 ARG 75 -0.564 -2.813 14.744 527 HH21 ARG 75 HH21 ARG 75 -0.214 -6.308 14.958 528 HH22 ARG 75 HH22 ARG 75 -0.036 -4.780 15.791 529 H ALA 76 H ALA 76 -2.097 -6.354 6.902 530 HA ALA 76 HA ALA 76 -1.195 -8.929 7.668 531 HB1 ALA 76 HB1 ALA 76 -3.533 -8.392 7.115 532 HB2 ALA 76 HB2 ALA 76 -3.089 -8.087 5.422 533 HB3 ALA 76 HB3 ALA 76 -2.957 -9.722 6.101 534 H LEU 77 H LEU 77 -0.773 -7.213 4.568 535 HA LEU 77 HA LEU 77 0.680 -9.309 3.276 536 HB2 LEU 77 HB2 LEU 77 -0.665 -7.502 2.255 537 HB3 LEU 77 HB3 LEU 77 0.579 -6.327 2.655 538 HG LEU 77 HG LEU 77 1.275 -8.788 1.004 539 HD11 LEU 77 HD11 LEU 77 -0.718 -7.911 -0.068 540 HD12 LEU 77 HD12 LEU 77 0.684 -7.465 -1.040 541 HD13 LEU 77 HD13 LEU 77 -0.098 -6.258 0.011 542 HD21 LEU 77 HD21 LEU 77 2.301 -5.907 1.037 543 HD22 LEU 77 HD22 LEU 77 2.872 -7.188 -0.056 544 HD23 LEU 77 HD23 LEU 77 3.133 -7.330 1.681 545 H GLY 78 H GLY 78 1.888 -6.343 4.992 546 HA2 GLY 78 HA2 GLY 78 4.660 -6.844 4.747 547 HA3 GLY 78 HA3 GLY 78 3.883 -6.028 6.112 548 H PHE 79 H PHE 79 2.386 -8.086 7.220 549 HA PHE 79 HA PHE 79 4.231 -9.780 8.587 550 HB2 PHE 79 HB2 PHE 79 2.084 -9.056 9.505 551 HB3 PHE 79 HB3 PHE 79 1.210 -9.920 8.251 552 HD1 PHE 79 HD1 PHE 79 3.324 -10.322 11.288 553 HD2 PHE 79 HD2 PHE 79 0.825 -12.316 8.389 554 HE1 PHE 79 HE1 PHE 79 3.275 -12.354 12.719 555 HE2 PHE 79 HE2 PHE 79 0.805 -14.352 9.811 556 HZ PHE 79 HZ PHE 79 2.017 -14.366 11.981 557 H LYS 80 H LYS 80 2.127 -10.478 5.742 558 HA LYS 80 HA LYS 80 2.822 -13.244 5.615 559 HB2 LYS 80 HB2 LYS 80 0.787 -12.207 4.629 560 HB3 LYS 80 HB3 LYS 80 1.785 -11.505 3.343 561 HG2 LYS 80 HG2 LYS 80 2.388 -13.732 2.536 562 HG3 LYS 80 HG3 LYS 80 1.657 -14.490 3.959 563 HD2 LYS 80 HD2 LYS 80 -0.577 -13.658 3.234 564 HD3 LYS 80 HD3 LYS 80 0.164 -12.987 1.764 565 HE2 LYS 80 HE2 LYS 80 0.886 -15.245 1.070 566 HE3 LYS 80 HE3 LYS 80 0.291 -15.920 2.596 567 HZ1 LYS 80 HZ1 LYS 80 -1.367 -16.299 0.921 568 HZ2 LYS 80 HZ2 LYS 80 -1.402 -14.729 0.451 569 HZ3 LYS 80 HZ3 LYS 80 -1.957 -15.177 1.928 570 H ILE 81 H ILE 81 4.459 -10.468 4.087 571 HA ILE 81 HA ILE 81 6.189 -11.841 2.358 572 HB ILE 81 HB ILE 81 6.588 -9.285 3.933 573 HG12 ILE 81 HG12 ILE 81 6.184 -9.715 0.937 574 HG13 ILE 81 HG13 ILE 81 4.832 -9.525 2.036 575 HG21 ILE 81 HG21 ILE 81 8.861 -10.194 3.416 576 HG22 ILE 81 HG22 ILE 81 8.395 -10.389 1.716 577 HG23 ILE 81 HG23 ILE 81 8.524 -8.779 2.441 578 HD11 ILE 81 HD11 ILE 81 5.603 -7.291 2.704 579 HD12 ILE 81 HD12 ILE 81 7.013 -7.430 1.639 580 HD13 ILE 81 HD13 ILE 81 5.390 -7.401 0.945 Start of MODEL 17 1 H ASN 1 H ASN 1 -9.556 4.552 -17.119 2 HA ASN 1 HA ASN 1 -8.830 6.575 -16.047 3 HB2 ASN 1 HB2 ASN 1 -10.785 7.977 -16.437 4 HB3 ASN 1 HB3 ASN 1 -11.778 6.977 -15.395 5 HD21 ASN 1 HD21 ASN 1 -8.868 9.087 -15.337 6 HD22 ASN 1 HD22 ASN 1 -9.141 9.521 -13.663 7 H GLY 2 H GLY 2 -11.580 5.133 -14.239 8 HA2 GLY 2 HA2 GLY 2 -11.590 3.885 -12.314 9 HA3 GLY 2 HA3 GLY 2 -10.132 3.093 -12.910 10 H ASN 3 H ASN 3 -10.035 6.583 -12.266 11 HA ASN 3 HA ASN 3 -7.827 6.163 -10.497 12 HB2 ASN 3 HB2 ASN 3 -9.189 8.561 -11.625 13 HB3 ASN 3 HB3 ASN 3 -8.277 8.796 -10.172 14 HD21 ASN 3 HD21 ASN 3 -6.099 8.849 -10.217 15 HD22 ASN 3 HD22 ASN 3 -5.173 8.647 -11.719 16 H ILE 4 H ILE 4 -7.432 6.695 -8.489 17 HA ILE 4 HA ILE 4 -9.363 6.021 -6.467 18 HB ILE 4 HB ILE 4 -6.470 6.877 -6.628 19 HG12 ILE 4 HG12 ILE 4 -6.275 4.965 -4.924 20 HG13 ILE 4 HG13 ILE 4 -7.952 4.587 -5.250 21 HG21 ILE 4 HG21 ILE 4 -6.307 6.899 -4.148 22 HG22 ILE 4 HG22 ILE 4 -7.001 8.321 -4.850 23 HG23 ILE 4 HG23 ILE 4 -8.060 7.103 -4.059 24 HD11 ILE 4 HD11 ILE 4 -6.451 3.180 -6.546 25 HD12 ILE 4 HD12 ILE 4 -7.186 4.302 -7.711 26 HD13 ILE 4 HD13 ILE 4 -5.522 4.585 -7.092 27 H ASN 5 H ASN 5 -8.152 9.039 -7.573 28 HA ASN 5 HA ASN 5 -8.461 11.236 -7.060 29 HB2 ASN 5 HB2 ASN 5 -10.898 10.618 -6.728 30 HB3 ASN 5 HB3 ASN 5 -10.575 10.563 -4.999 31 HD21 ASN 5 HD21 ASN 5 -11.314 12.664 -7.584 32 HD22 ASN 5 HD22 ASN 5 -10.982 14.168 -6.689 33 H TRP 6 H TRP 6 -6.440 11.497 -6.359 34 HA TRP 6 HA TRP 6 -5.564 10.688 -3.724 35 HB2 TRP 6 HB2 TRP 6 -4.056 12.331 -5.767 36 HB3 TRP 6 HB3 TRP 6 -3.367 11.471 -4.399 37 HD1 TRP 6 HD1 TRP 6 -3.460 11.167 -7.847 38 HE1 TRP 6 HE1 TRP 6 -3.188 8.748 -8.750 39 HE3 TRP 6 HE3 TRP 6 -4.153 8.699 -3.502 40 HZ2 TRP 6 HZ2 TRP 6 -3.034 6.113 -7.589 41 HZ3 TRP 6 HZ3 TRP 6 -3.893 6.220 -3.388 42 HH2 TRP 6 HH2 TRP 6 -3.359 4.924 -5.426 43 H ASN 7 H ASN 7 -7.472 13.170 -4.175 44 HA ASN 7 HA ASN 7 -6.299 14.635 -1.836 45 HB2 ASN 7 HB2 ASN 7 -6.684 15.954 -3.913 46 HB3 ASN 7 HB3 ASN 7 -8.391 15.513 -3.858 47 HD21 ASN 7 HD21 ASN 7 -5.785 17.025 -1.929 48 HD22 ASN 7 HD22 ASN 7 -6.838 18.159 -1.084 49 H SER 8 H SER 8 -8.741 12.416 -2.684 50 HA SER 8 HA SER 8 -10.860 13.173 -1.047 51 HB2 SER 8 HB2 SER 8 -11.700 10.925 -1.319 52 HB3 SER 8 HB3 SER 8 -10.986 11.497 -2.824 53 HG SER 8 HG SER 8 -9.252 10.184 -2.539 54 HA PRO 9 HA PRO 9 -10.137 12.992 3.052 55 HB2 PRO 9 HB2 PRO 9 -12.232 10.852 3.516 56 HB3 PRO 9 HB3 PRO 9 -11.972 12.386 4.408 57 HG2 PRO 9 HG2 PRO 9 -13.873 12.274 2.499 58 HG3 PRO 9 HG3 PRO 9 -12.761 13.682 2.543 59 HD2 PRO 9 HD2 PRO 9 -12.643 11.241 0.762 60 HD3 PRO 9 HD3 PRO 9 -12.413 12.962 0.341 61 H CYS 10 H CYS 10 -8.584 12.339 4.159 62 HA CYS 10 HA CYS 10 -6.925 11.289 5.274 63 HB2 CYS 10 HB2 CYS 10 -8.966 9.095 5.436 64 HB3 CYS 10 HB3 CYS 10 -7.355 8.917 6.105 65 H LEU 11 H LEU 11 -8.035 9.152 2.623 66 HA LEU 11 HA LEU 11 -5.547 8.022 1.932 67 HB2 LEU 11 HB2 LEU 11 -7.854 7.516 1.069 68 HB3 LEU 11 HB3 LEU 11 -7.756 8.941 0.031 69 HG LEU 11 HG LEU 11 -5.953 6.472 -0.039 70 HD11 LEU 11 HD11 LEU 11 -7.208 5.843 -2.020 71 HD12 LEU 11 HD12 LEU 11 -8.316 7.222 -1.774 72 HD13 LEU 11 HD13 LEU 11 -8.251 5.896 -0.590 73 HD21 LEU 11 HD21 LEU 11 -4.877 8.426 -1.156 74 HD22 LEU 11 HD22 LEU 11 -6.379 8.727 -2.068 75 HD23 LEU 11 HD23 LEU 11 -5.422 7.239 -2.282 76 H GLY 12 H GLY 12 -6.812 11.282 1.218 77 HA2 GLY 12 HA2 GLY 12 -4.936 12.305 -0.553 78 HA3 GLY 12 HA3 GLY 12 -5.711 13.245 0.728 79 H GLY 13 H GLY 13 -4.479 12.066 3.028 80 HA2 GLY 13 HA2 GLY 13 -1.784 13.109 3.041 81 HA3 GLY 13 HA3 GLY 13 -2.555 12.144 4.298 82 H MET 14 H MET 14 -3.100 9.859 2.566 83 HA MET 14 HA MET 14 -0.747 8.361 3.170 84 HB2 MET 14 HB2 MET 14 -3.248 7.609 2.982 85 HB3 MET 14 HB3 MET 14 -2.908 7.431 1.276 86 HG2 MET 14 HG2 MET 14 -2.575 5.292 2.299 87 HG3 MET 14 HG3 MET 14 -0.975 5.906 1.908 88 HE1 MET 14 HE1 MET 14 -1.260 3.467 3.799 89 HE2 MET 14 HE2 MET 14 0.290 4.274 3.453 90 HE3 MET 14 HE3 MET 14 -0.167 3.916 5.128 91 H ALA 15 H ALA 15 -1.905 9.670 0.083 92 HA ALA 15 HA ALA 15 0.161 8.225 -1.364 93 HB1 ALA 15 HB1 ALA 15 -2.411 8.787 -1.969 94 HB2 ALA 15 HB2 ALA 15 -1.594 10.051 -2.928 95 HB3 ALA 15 HB3 ALA 15 -1.161 8.328 -3.097 96 H SER 16 H SER 16 0.520 10.916 0.299 97 HA SER 16 HA SER 16 2.749 12.007 -1.368 98 HB2 SER 16 HB2 SER 16 1.615 12.804 1.339 99 HB3 SER 16 HB3 SER 16 2.927 13.657 0.498 100 HG SER 16 HG SER 16 0.532 14.289 0.244 101 H GLY 17 H GLY 17 4.818 12.482 0.161 102 HA2 GLY 17 HA2 GLY 17 6.151 11.671 2.092 103 HA3 GLY 17 HA3 GLY 17 5.389 10.140 1.949 104 HA PRO 18 HA PRO 18 9.739 9.697 -0.049 105 HB2 PRO 18 HB2 PRO 18 10.144 7.451 1.498 106 HB3 PRO 18 HB3 PRO 18 10.625 9.120 1.930 107 HG2 PRO 18 HG2 PRO 18 8.056 7.737 2.782 108 HG3 PRO 18 HG3 PRO 18 9.316 8.483 3.820 109 HD2 PRO 18 HD2 PRO 18 7.290 10.008 3.160 110 HD3 PRO 18 HD3 PRO 18 8.883 10.680 2.846 111 H CYS 19 H CYS 19 6.858 7.804 0.725 112 HA CYS 19 HA CYS 19 7.467 5.867 -1.462 113 HB2 CYS 19 HB2 CYS 19 5.799 5.339 0.971 114 HB3 CYS 19 HB3 CYS 19 6.411 4.189 -0.227 115 H GLY 20 H GLY 20 5.839 8.490 -1.421 116 HA2 GLY 20 HA2 GLY 20 3.105 8.235 -1.684 117 HA3 GLY 20 HA3 GLY 20 4.087 9.255 -2.740 118 H GLU 21 H GLU 21 5.294 7.816 -4.495 119 HA GLU 21 HA GLU 21 3.306 6.699 -6.193 120 HB2 GLU 21 HB2 GLU 21 6.354 6.673 -6.232 121 HB3 GLU 21 HB3 GLU 21 5.400 5.781 -7.429 122 HG2 GLU 21 HG2 GLU 21 4.034 7.936 -7.652 123 HG3 GLU 21 HG3 GLU 21 5.444 8.764 -6.969 124 H GLN 22 H GLN 22 5.249 4.909 -3.741 125 HA GLN 22 HA GLN 22 4.520 2.433 -4.930 126 HB2 GLN 22 HB2 GLN 22 4.865 2.716 -1.934 127 HB3 GLN 22 HB3 GLN 22 5.210 1.370 -3.017 128 HG2 GLN 22 HG2 GLN 22 6.753 3.875 -2.494 129 HG3 GLN 22 HG3 GLN 22 7.238 2.220 -2.330 130 HE21 GLN 22 HE21 GLN 22 7.784 4.905 -3.994 131 HE22 GLN 22 HE22 GLN 22 8.262 4.255 -5.569 132 H PHE 23 H PHE 23 2.845 4.559 -2.532 133 HA PHE 23 HA PHE 23 0.590 2.848 -2.384 134 HB2 PHE 23 HB2 PHE 23 1.058 4.919 -0.857 135 HB3 PHE 23 HB3 PHE 23 0.436 5.869 -2.167 136 HD1 PHE 23 HD1 PHE 23 -0.867 2.488 -0.991 137 HD2 PHE 23 HD2 PHE 23 -1.554 6.739 -1.243 138 HE1 PHE 23 HE1 PHE 23 -3.218 2.154 -0.344 139 HE2 PHE 23 HE2 PHE 23 -3.854 6.400 -0.513 140 HZ PHE 23 HZ PHE 23 -4.752 4.093 -0.185 141 H LYS 24 H LYS 24 1.257 5.582 -4.642 142 HA LYS 24 HA LYS 24 -1.185 5.506 -6.043 143 HB2 LYS 24 HB2 LYS 24 1.451 5.957 -7.421 144 HB3 LYS 24 HB3 LYS 24 -0.073 6.552 -7.909 145 HG2 LYS 24 HG2 LYS 24 1.400 7.529 -5.439 146 HG3 LYS 24 HG3 LYS 24 1.364 8.306 -7.018 147 HD2 LYS 24 HD2 LYS 24 -1.159 8.347 -6.754 148 HD3 LYS 24 HD3 LYS 24 -0.967 7.809 -5.133 149 HE2 LYS 24 HE2 LYS 24 -1.271 10.234 -5.189 150 HE3 LYS 24 HE3 LYS 24 0.373 9.890 -4.639 151 HZ1 LYS 24 HZ1 LYS 24 1.226 10.558 -6.736 152 HZ2 LYS 24 HZ2 LYS 24 0.090 11.690 -6.373 153 HZ3 LYS 24 HZ3 LYS 24 -0.214 10.490 -7.480 154 H SER 25 H SER 25 1.734 3.802 -6.758 155 HA SER 25 HA SER 25 0.889 2.278 -8.982 156 HB2 SER 25 HB2 SER 25 3.143 2.907 -8.416 157 HB3 SER 25 HB3 SER 25 3.110 1.997 -6.924 158 HG SER 25 HG SER 25 4.247 0.857 -8.310 159 H ALA 26 H ALA 26 1.110 1.265 -5.506 160 HA ALA 26 HA ALA 26 0.015 -1.335 -5.937 161 HB1 ALA 26 HB1 ALA 26 1.367 -0.694 -3.968 162 HB2 ALA 26 HB2 ALA 26 0.059 0.370 -3.411 163 HB3 ALA 26 HB3 ALA 26 -0.192 -1.382 -3.493 164 H PHE 27 H PHE 27 -1.699 1.588 -4.630 165 HA PHE 27 HA PHE 27 -4.153 0.141 -4.596 166 HB2 PHE 27 HB2 PHE 27 -3.229 2.474 -3.409 167 HB3 PHE 27 HB3 PHE 27 -4.482 3.043 -4.494 168 HD1 PHE 27 HD1 PHE 27 -4.045 -0.006 -2.253 169 HD2 PHE 27 HD2 PHE 27 -6.486 3.399 -3.293 170 HE1 PHE 27 HE1 PHE 27 -5.732 -0.690 -0.577 171 HE2 PHE 27 HE2 PHE 27 -8.160 2.722 -1.575 172 HZ PHE 27 HZ PHE 27 -7.811 0.638 -0.274 173 H SER 28 H SER 28 -2.883 2.392 -7.122 174 HA SER 28 HA SER 28 -5.161 2.115 -8.830 175 HB2 SER 28 HB2 SER 28 -3.774 2.760 -10.646 176 HB3 SER 28 HB3 SER 28 -3.410 3.760 -9.239 177 HG SER 28 HG SER 28 -1.547 2.792 -8.967 178 H CYS 29 H CYS 29 -2.173 0.008 -8.766 179 HA CYS 29 HA CYS 29 -3.139 -1.768 -10.691 180 HB2 CYS 29 HB2 CYS 29 -0.852 -1.578 -9.715 181 HB3 CYS 29 HB3 CYS 29 -1.361 -2.518 -8.332 182 H PHE 30 H PHE 30 -3.752 -1.957 -7.134 183 HA PHE 30 HA PHE 30 -5.654 -4.022 -7.123 184 HB2 PHE 30 HB2 PHE 30 -5.082 -3.256 -4.992 185 HB3 PHE 30 HB3 PHE 30 -5.146 -1.585 -5.477 186 HD1 PHE 30 HD1 PHE 30 -7.816 -4.245 -5.670 187 HD2 PHE 30 HD2 PHE 30 -6.542 -0.491 -4.002 188 HE1 PHE 30 HE1 PHE 30 -10.087 -3.890 -4.748 189 HE2 PHE 30 HE2 PHE 30 -8.808 -0.155 -3.033 190 HZ PHE 30 HZ PHE 30 -10.590 -1.838 -3.429 191 H HIS 31 H HIS 31 -6.438 -0.542 -7.660 192 HA HIS 31 HA HIS 31 -9.209 -0.874 -8.127 193 HB2 HIS 31 HB2 HIS 31 -7.191 1.250 -8.482 194 HB3 HIS 31 HB3 HIS 31 -8.390 1.291 -9.746 195 HD1 HIS 31 HD1 HIS 31 -10.029 3.144 -9.105 196 HD2 HIS 31 HD2 HIS 31 -8.829 0.741 -5.868 197 HE1 HIS 31 HE1 HIS 31 -11.406 3.908 -7.104 198 H TYR 32 H TYR 32 -6.590 -1.356 -10.357 199 HA TYR 32 HA TYR 32 -8.376 -1.945 -12.624 200 HB2 TYR 32 HB2 TYR 32 -5.358 -2.025 -12.320 201 HB3 TYR 32 HB3 TYR 32 -6.220 -2.204 -13.834 202 HD1 TYR 32 HD1 TYR 32 -8.264 -0.101 -13.804 203 HD2 TYR 32 HD2 TYR 32 -4.225 0.041 -12.310 204 HE1 TYR 32 HE1 TYR 32 -8.190 2.343 -14.225 205 HE2 TYR 32 HE2 TYR 32 -4.123 2.460 -12.815 206 HH TYR 32 HH TYR 32 -6.964 4.287 -13.986 207 H SER 33 H SER 33 -7.347 -3.766 -10.049 208 HA SER 33 HA SER 33 -7.108 -6.362 -11.500 209 HB2 SER 33 HB2 SER 33 -5.317 -5.766 -9.950 210 HB3 SER 33 HB3 SER 33 -6.481 -5.567 -8.639 211 HG SER 33 HG SER 33 -5.374 -7.844 -9.719 212 H THR 34 H THR 34 -8.557 -5.401 -8.413 213 HA THR 34 HA THR 34 -10.426 -5.963 -7.284 214 HB THR 34 HB THR 34 -12.605 -5.809 -8.343 215 HG1 THR 34 HG1 THR 34 -11.838 -6.734 -10.426 216 HG21 THR 34 HG21 THR 34 -12.453 -3.522 -9.040 217 HG22 THR 34 HG22 THR 34 -10.712 -3.669 -9.372 218 HG23 THR 34 HG23 THR 34 -11.319 -3.774 -7.703 219 H GLU 35 H GLU 35 -8.831 -8.160 -8.137 220 HA GLU 35 HA GLU 35 -10.267 -10.505 -8.801 221 HB2 GLU 35 HB2 GLU 35 -7.690 -9.878 -7.383 222 HB3 GLU 35 HB3 GLU 35 -8.242 -11.532 -7.334 223 HG2 GLU 35 HG2 GLU 35 -7.948 -10.015 -9.965 224 HG3 GLU 35 HG3 GLU 35 -6.579 -10.785 -9.176 225 H GLU 36 H GLU 36 -9.029 -9.969 -5.523 226 HA GLU 36 HA GLU 36 -11.452 -11.125 -4.251 227 HB2 GLU 36 HB2 GLU 36 -8.739 -12.502 -4.113 228 HB3 GLU 36 HB3 GLU 36 -10.175 -12.946 -3.195 229 HG2 GLU 36 HG2 GLU 36 -11.318 -13.508 -5.362 230 HG3 GLU 36 HG3 GLU 36 -9.786 -13.212 -6.204 231 H ILE 37 H ILE 37 -8.025 -10.327 -3.817 232 HA ILE 37 HA ILE 37 -8.679 -8.678 -1.395 233 HB ILE 37 HB ILE 37 -6.358 -10.569 -1.883 234 HG12 ILE 37 HG12 ILE 37 -8.385 -10.228 0.338 235 HG13 ILE 37 HG13 ILE 37 -8.304 -11.477 -0.916 236 HG21 ILE 37 HG21 ILE 37 -6.318 -8.277 0.138 237 HG22 ILE 37 HG22 ILE 37 -5.188 -9.650 0.103 238 HG23 ILE 37 HG23 ILE 37 -5.229 -8.516 -1.227 239 HD11 ILE 37 HD11 ILE 37 -7.544 -12.426 1.162 240 HD12 ILE 37 HD12 ILE 37 -6.155 -12.293 0.068 241 HD13 ILE 37 HD13 ILE 37 -6.365 -11.130 1.400 242 H LYS 38 H LYS 38 -7.536 -6.821 -1.205 243 HA LYS 38 HA LYS 38 -6.877 -5.034 -3.040 244 HB2 LYS 38 HB2 LYS 38 -5.988 -5.613 -0.287 245 HB3 LYS 38 HB3 LYS 38 -4.655 -4.916 -1.191 246 HG2 LYS 38 HG2 LYS 38 -5.622 -3.165 -0.250 247 HG3 LYS 38 HG3 LYS 38 -6.131 -3.091 -1.942 248 HD2 LYS 38 HD2 LYS 38 -7.768 -3.713 0.537 249 HD3 LYS 38 HD3 LYS 38 -7.935 -2.350 -0.587 250 HE2 LYS 38 HE2 LYS 38 -8.756 -3.878 -2.342 251 HE3 LYS 38 HE3 LYS 38 -8.565 -5.247 -1.242 252 HZ1 LYS 38 HZ1 LYS 38 -10.426 -2.980 -0.819 253 HZ2 LYS 38 HZ2 LYS 38 -10.147 -4.199 0.255 254 HZ3 LYS 38 HZ3 LYS 38 -10.818 -4.553 -1.180 255 H GLY 39 H GLY 39 -6.179 -5.591 -4.981 256 HA2 GLY 39 HA2 GLY 39 -4.794 -6.237 -6.696 257 HA3 GLY 39 HA3 GLY 39 -3.500 -5.546 -5.704 258 H SER 40 H SER 40 -5.453 -8.553 -5.121 259 HA SER 40 HA SER 40 -3.161 -10.053 -4.473 260 HB2 SER 40 HB2 SER 40 -4.693 -12.006 -4.500 261 HB3 SER 40 HB3 SER 40 -5.220 -10.612 -3.588 262 HG SER 40 HG SER 40 -6.530 -11.892 -5.449 263 H ASP 41 H ASP 41 -4.091 -9.343 -7.700 264 HA ASP 41 HA ASP 41 -1.856 -11.130 -8.490 265 HB2 ASP 41 HB2 ASP 41 -2.654 -11.224 -10.681 266 HB3 ASP 41 HB3 ASP 41 -4.029 -11.489 -9.617 267 H CYS 42 H CYS 42 -1.613 -8.507 -7.233 268 HA CYS 42 HA CYS 42 0.078 -6.953 -9.173 269 HB2 CYS 42 HB2 CYS 42 -2.221 -6.074 -7.419 270 HB3 CYS 42 HB3 CYS 42 -0.958 -4.931 -7.783 271 H VAL 43 H VAL 43 0.674 -8.862 -6.768 272 HA VAL 43 HA VAL 43 0.897 -7.228 -4.479 273 HB VAL 43 HB VAL 43 1.661 -9.001 -3.273 274 HG11 VAL 43 HG11 VAL 43 -0.592 -9.330 -4.228 275 HG12 VAL 43 HG12 VAL 43 0.117 -10.359 -5.503 276 HG13 VAL 43 HG13 VAL 43 0.229 -10.840 -3.800 277 HG21 VAL 43 HG21 VAL 43 2.646 -11.096 -4.191 278 HG22 VAL 43 HG22 VAL 43 2.735 -10.327 -5.791 279 HG23 VAL 43 HG23 VAL 43 3.678 -9.689 -4.414 280 H ASP 44 H ASP 44 3.331 -7.830 -6.930 281 HA ASP 44 HA ASP 44 5.695 -7.062 -5.680 282 HB2 ASP 44 HB2 ASP 44 5.361 -7.817 -8.048 283 HB3 ASP 44 HB3 ASP 44 4.746 -6.213 -8.451 284 H GLN 45 H GLN 45 3.097 -4.859 -6.795 285 HA GLN 45 HA GLN 45 4.512 -2.426 -6.217 286 HB2 GLN 45 HB2 GLN 45 1.574 -3.064 -6.621 287 HB3 GLN 45 HB3 GLN 45 2.217 -1.452 -6.311 288 HG2 GLN 45 HG2 GLN 45 1.928 -1.642 -8.646 289 HG3 GLN 45 HG3 GLN 45 3.641 -1.556 -8.282 290 HE21 GLN 45 HE21 GLN 45 1.436 -4.437 -8.352 291 HE22 GLN 45 HE22 GLN 45 2.239 -5.127 -9.756 292 H PHE 46 H PHE 46 2.094 -4.275 -4.228 293 HA PHE 46 HA PHE 46 2.331 -2.538 -1.934 294 HB2 PHE 46 HB2 PHE 46 1.528 -5.446 -2.216 295 HB3 PHE 46 HB3 PHE 46 1.422 -4.536 -0.721 296 HD1 PHE 46 HD1 PHE 46 -0.157 -4.890 -4.080 297 HD2 PHE 46 HD2 PHE 46 -0.204 -2.812 -0.298 298 HE1 PHE 46 HE1 PHE 46 -2.406 -3.943 -4.606 299 HE2 PHE 46 HE2 PHE 46 -2.458 -1.911 -0.819 300 HZ PHE 46 HZ PHE 46 -3.553 -2.479 -2.981 301 H ARG 47 H ARG 47 4.105 -5.426 -2.960 302 HA ARG 47 HA ARG 47 5.806 -5.724 -0.753 303 HB2 ARG 47 HB2 ARG 47 5.482 -7.338 -2.587 304 HB3 ARG 47 HB3 ARG 47 6.481 -6.334 -3.645 305 HG2 ARG 47 HG2 ARG 47 8.444 -6.721 -2.328 306 HG3 ARG 47 HG3 ARG 47 7.496 -7.359 -0.970 307 HD2 ARG 47 HD2 ARG 47 8.625 -9.171 -2.186 308 HD3 ARG 47 HD3 ARG 47 6.866 -9.325 -2.231 309 HE ARG 47 HE ARG 47 8.321 -8.058 -4.507 310 HH11 ARG 47 HH11 ARG 47 6.313 -10.774 -3.345 311 HH12 ARG 47 HH12 ARG 47 6.001 -11.363 -4.963 312 HH21 ARG 47 HH21 ARG 47 7.879 -8.854 -6.570 313 HH22 ARG 47 HH22 ARG 47 6.895 -10.285 -6.784 314 H ALA 48 H ALA 48 6.223 -3.673 -3.611 315 HA ALA 48 HA ALA 48 8.608 -2.334 -2.800 316 HB1 ALA 48 HB1 ALA 48 6.343 -1.373 -4.581 317 HB2 ALA 48 HB2 ALA 48 7.951 -0.647 -4.467 318 HB3 ALA 48 HB3 ALA 48 7.763 -2.306 -5.089 319 H MET 49 H MET 49 5.145 -1.565 -2.156 320 HA MET 49 HA MET 49 5.576 0.839 -0.755 321 HB2 MET 49 HB2 MET 49 3.385 -0.098 -1.578 322 HB3 MET 49 HB3 MET 49 3.385 -1.181 -0.182 323 HG2 MET 49 HG2 MET 49 3.401 0.767 1.334 324 HG3 MET 49 HG3 MET 49 3.394 1.852 -0.068 325 HE1 MET 49 HE1 MET 49 1.185 3.078 0.967 326 HE2 MET 49 HE2 MET 49 -0.230 2.162 1.530 327 HE3 MET 49 HE3 MET 49 1.335 1.956 2.343 328 H GLN 50 H GLN 50 5.431 -2.473 0.708 329 HA GLN 50 HA GLN 50 6.228 -1.571 3.280 330 HB2 GLN 50 HB2 GLN 50 5.214 -3.788 2.796 331 HB3 GLN 50 HB3 GLN 50 6.699 -4.279 1.985 332 HG2 GLN 50 HG2 GLN 50 6.732 -5.256 4.146 333 HG3 GLN 50 HG3 GLN 50 7.938 -3.986 4.177 334 HE21 GLN 50 HE21 GLN 50 7.201 -4.937 6.583 335 HE22 GLN 50 HE22 GLN 50 5.998 -3.917 7.379 336 H GLU 51 H GLU 51 8.284 -2.792 0.609 337 HA GLU 51 HA GLU 51 10.868 -2.550 1.784 338 HB2 GLU 51 HB2 GLU 51 10.435 -3.600 -0.402 339 HB3 GLU 51 HB3 GLU 51 9.693 -2.155 -0.992 340 HG2 GLU 51 HG2 GLU 51 11.589 -2.205 -2.188 341 HG3 GLU 51 HG3 GLU 51 11.917 -0.986 -1.026 342 H CYS 52 H CYS 52 8.899 0.028 0.251 343 HA CYS 52 HA CYS 52 10.973 2.003 0.807 344 HB2 CYS 52 HB2 CYS 52 9.608 2.190 -1.177 345 HB3 CYS 52 HB3 CYS 52 8.155 2.278 -0.272 346 H MET 53 H MET 53 7.904 1.022 2.493 347 HA MET 53 HA MET 53 8.077 3.426 4.067 348 HB2 MET 53 HB2 MET 53 6.168 1.080 4.146 349 HB3 MET 53 HB3 MET 53 6.128 2.391 5.342 350 HG2 MET 53 HG2 MET 53 5.977 4.062 3.524 351 HG3 MET 53 HG3 MET 53 5.886 2.761 2.336 352 HE1 MET 53 HE1 MET 53 3.680 4.010 1.380 353 HE2 MET 53 HE2 MET 53 2.349 4.521 2.444 354 HE3 MET 53 HE3 MET 53 3.962 5.224 2.647 355 H GLN 54 H GLN 54 9.163 0.209 4.519 356 HA GLN 54 HA GLN 54 9.985 0.225 7.199 357 HB2 GLN 54 HB2 GLN 54 11.340 -1.653 6.454 358 HB3 GLN 54 HB3 GLN 54 9.867 -1.635 5.582 359 HG2 GLN 54 HG2 GLN 54 11.350 -2.146 3.942 360 HG3 GLN 54 HG3 GLN 54 11.205 -0.398 3.755 361 HE21 GLN 54 HE21 GLN 54 13.166 -0.342 2.666 362 HE22 GLN 54 HE22 GLN 54 14.715 -0.501 3.533 363 H LYS 55 H LYS 55 11.167 2.238 4.683 364 HA LYS 55 HA LYS 55 13.717 2.995 5.844 365 HB2 LYS 55 HB2 LYS 55 12.007 4.449 3.856 366 HB3 LYS 55 HB3 LYS 55 13.676 4.822 4.233 367 HG2 LYS 55 HG2 LYS 55 12.678 2.222 2.975 368 HG3 LYS 55 HG3 LYS 55 13.358 3.587 2.104 369 HD2 LYS 55 HD2 LYS 55 14.841 1.916 4.173 370 HD3 LYS 55 HD3 LYS 55 14.952 1.744 2.415 371 HE2 LYS 55 HE2 LYS 55 15.698 4.142 2.283 372 HE3 LYS 55 HE3 LYS 55 15.797 4.178 4.044 373 HZ1 LYS 55 HZ1 LYS 55 17.277 2.262 2.313 374 HZ2 LYS 55 HZ2 LYS 55 17.405 2.375 3.949 375 HZ3 LYS 55 HZ3 LYS 55 17.949 3.592 2.978 376 H TYR 56 H TYR 56 10.452 4.314 6.320 377 HA TYR 56 HA TYR 56 11.679 6.513 7.970 378 HB2 TYR 56 HB2 TYR 56 9.655 6.901 5.770 379 HB3 TYR 56 HB3 TYR 56 10.208 8.081 6.938 380 HD1 TYR 56 HD1 TYR 56 12.680 8.632 7.119 381 HD2 TYR 56 HD2 TYR 56 11.078 6.365 3.849 382 HE1 TYR 56 HE1 TYR 56 14.519 9.418 5.698 383 HE2 TYR 56 HE2 TYR 56 12.843 7.280 2.331 384 HH TYR 56 HH TYR 56 15.456 9.416 3.529 385 HA PRO 57 HA PRO 57 8.179 4.913 10.300 386 HB2 PRO 57 HB2 PRO 57 8.938 5.594 12.845 387 HB3 PRO 57 HB3 PRO 57 9.803 4.354 11.884 388 HG2 PRO 57 HG2 PRO 57 10.518 7.295 12.197 389 HG3 PRO 57 HG3 PRO 57 11.587 5.871 12.409 390 HD2 PRO 57 HD2 PRO 57 11.473 7.310 10.096 391 HD3 PRO 57 HD3 PRO 57 11.730 5.538 10.101 392 H ASP 58 H ASP 58 8.964 8.368 10.695 393 HA ASP 58 HA ASP 58 6.112 8.998 10.664 394 HB2 ASP 58 HB2 ASP 58 6.502 8.350 12.955 395 HB3 ASP 58 HB3 ASP 58 7.668 9.694 13.066 396 H LEU 59 H LEU 59 6.894 9.948 8.773 397 HA LEU 59 HA LEU 59 8.485 12.454 9.087 398 HB2 LEU 59 HB2 LEU 59 9.976 10.697 8.931 399 HB3 LEU 59 HB3 LEU 59 9.081 9.801 7.766 400 HG LEU 59 HG LEU 59 11.277 10.612 7.112 401 HD11 LEU 59 HD11 LEU 59 10.740 11.246 4.829 402 HD12 LEU 59 HD12 LEU 59 9.054 11.553 5.296 403 HD13 LEU 59 HD13 LEU 59 9.744 9.913 5.424 404 HD21 LEU 59 HD21 LEU 59 10.005 13.311 6.852 405 HD22 LEU 59 HD22 LEU 59 11.664 12.850 6.421 406 HD23 LEU 59 HD23 LEU 59 11.144 12.831 8.133 407 H TYR 60 H TYR 60 5.755 11.093 7.927 408 HA TYR 60 HA TYR 60 5.056 13.029 5.833 409 HB2 TYR 60 HB2 TYR 60 4.849 11.278 4.056 410 HB3 TYR 60 HB3 TYR 60 6.500 11.644 4.522 411 HD1 TYR 60 HD1 TYR 60 7.646 10.049 6.196 412 HD2 TYR 60 HD2 TYR 60 4.209 8.975 3.926 413 HE1 TYR 60 HE1 TYR 60 7.818 7.839 7.151 414 HE2 TYR 60 HE2 TYR 60 4.639 6.589 4.476 415 HH TYR 60 HH TYR 60 7.136 5.601 6.872 416 H GLU 61 H GLU 61 -16.458 14.072 7.969 417 HA GLU 61 HA GLU 61 -15.677 13.697 10.785 418 HB2 GLU 61 HB2 GLU 61 -18.314 13.180 9.366 419 HB3 GLU 61 HB3 GLU 61 -17.937 12.612 10.990 420 HG2 GLU 61 HG2 GLU 61 -18.007 15.537 10.142 421 HG3 GLU 61 HG3 GLU 61 -19.319 14.685 10.954 422 H HIS 62 H HIS 62 -17.159 11.745 8.157 423 HA HIS 62 HA HIS 62 -15.835 9.337 9.136 424 HB2 HIS 62 HB2 HIS 62 -17.732 9.885 6.839 425 HB3 HIS 62 HB3 HIS 62 -17.088 8.286 7.213 426 HD1 HIS 62 HD1 HIS 62 -19.653 10.809 8.645 427 HD2 HIS 62 HD2 HIS 62 -17.987 7.009 9.376 428 HE1 HIS 62 HE1 HIS 62 -21.095 9.729 10.398 429 H CYS 63 H CYS 63 -13.758 10.769 8.716 430 HA CYS 63 HA CYS 63 -12.669 10.813 6.061 431 HB2 CYS 63 HB2 CYS 63 -12.114 12.333 7.939 432 HB3 CYS 63 HB3 CYS 63 -11.277 11.026 8.760 433 H GLY 64 H GLY 64 -12.355 8.489 8.737 434 HA2 GLY 64 HA2 GLY 64 -10.080 7.135 7.568 435 HA3 GLY 64 HA3 GLY 64 -10.922 6.685 9.048 436 H HIS 65 H HIS 65 -12.807 6.941 6.103 437 HA HIS 65 HA HIS 65 -13.984 4.419 6.574 438 HB2 HIS 65 HB2 HIS 65 -15.079 6.366 5.522 439 HB3 HIS 65 HB3 HIS 65 -14.070 6.170 4.087 440 HD1 HIS 65 HD1 HIS 65 -15.925 3.272 5.891 441 HD2 HIS 65 HD2 HIS 65 -15.967 5.542 2.345 442 HE1 HIS 65 HE1 HIS 65 -17.562 2.126 4.326 443 H LEU 66 H LEU 66 -11.427 5.204 4.201 444 HA LEU 66 HA LEU 66 -11.217 2.290 3.532 445 HB2 LEU 66 HB2 LEU 66 -9.956 4.541 1.940 446 HB3 LEU 66 HB3 LEU 66 -10.166 2.862 1.503 447 HG LEU 66 HG LEU 66 -12.464 4.843 1.815 448 HD11 LEU 66 HD11 LEU 66 -12.554 4.764 -0.639 449 HD12 LEU 66 HD12 LEU 66 -11.119 3.719 -0.677 450 HD13 LEU 66 HD13 LEU 66 -10.998 5.394 -0.085 451 HD21 LEU 66 HD21 LEU 66 -13.775 3.102 0.639 452 HD22 LEU 66 HD22 LEU 66 -13.189 2.509 2.194 453 HD23 LEU 66 HD23 LEU 66 -12.384 2.002 0.693 454 H ILE 67 H ILE 67 -9.422 4.901 5.085 455 HA ILE 67 HA ILE 67 -6.869 3.775 4.603 456 HB ILE 67 HB ILE 67 -7.402 6.154 5.136 457 HG12 ILE 67 HG12 ILE 67 -5.124 5.020 6.813 458 HG13 ILE 67 HG13 ILE 67 -5.081 5.080 5.056 459 HG21 ILE 67 HG21 ILE 67 -8.712 5.528 7.265 460 HG22 ILE 67 HG22 ILE 67 -7.152 5.334 8.065 461 HG23 ILE 67 HG23 ILE 67 -7.608 6.909 7.396 462 HD11 ILE 67 HD11 ILE 67 -3.910 6.994 6.020 463 HD12 ILE 67 HD12 ILE 67 -5.325 7.514 5.086 464 HD13 ILE 67 HD13 ILE 67 -5.384 7.504 6.865 465 H GLU 68 H GLU 68 -9.087 3.029 7.281 466 HA GLU 68 HA GLU 68 -7.156 1.490 8.747 467 HB2 GLU 68 HB2 GLU 68 -9.373 2.352 9.578 468 HB3 GLU 68 HB3 GLU 68 -10.162 1.102 8.635 469 HG2 GLU 68 HG2 GLU 68 -10.084 0.338 10.874 470 HG3 GLU 68 HG3 GLU 68 -8.941 -0.638 9.965 471 H ALA 69 H ALA 69 -9.181 0.703 5.945 472 HA ALA 69 HA ALA 69 -8.253 -2.024 5.707 473 HB1 ALA 69 HB1 ALA 69 -10.419 -1.232 4.852 474 HB2 ALA 69 HB2 ALA 69 -9.586 -0.256 3.629 475 HB3 ALA 69 HB3 ALA 69 -9.438 -2.022 3.603 476 H HIS 70 H HIS 70 -7.072 1.079 4.224 477 HA HIS 70 HA HIS 70 -5.003 -0.017 2.618 478 HB2 HIS 70 HB2 HIS 70 -4.709 2.455 4.389 479 HB3 HIS 70 HB3 HIS 70 -3.738 2.033 2.998 480 HD1 HIS 70 HD1 HIS 70 -7.177 1.597 1.817 481 HD2 HIS 70 HD2 HIS 70 -4.708 4.845 2.806 482 HE1 HIS 70 HE1 HIS 70 -8.130 3.669 0.643 483 H LYS 71 H LYS 71 -4.837 1.050 5.981 484 HA LYS 71 HA LYS 71 -2.400 -0.053 6.837 485 HB2 LYS 71 HB2 LYS 71 -3.643 1.575 8.113 486 HB3 LYS 71 HB3 LYS 71 -5.012 0.472 8.274 487 HG2 LYS 71 HG2 LYS 71 -3.589 -1.052 9.662 488 HG3 LYS 71 HG3 LYS 71 -2.276 0.142 9.587 489 HD2 LYS 71 HD2 LYS 71 -3.568 1.763 10.808 490 HD3 LYS 71 HD3 LYS 71 -5.079 0.889 10.498 491 HE2 LYS 71 HE2 LYS 71 -4.083 -1.059 11.829 492 HE3 LYS 71 HE3 LYS 71 -2.843 0.085 12.380 493 HZ1 LYS 71 HZ1 LYS 71 -5.777 0.395 12.685 494 HZ2 LYS 71 HZ2 LYS 71 -4.645 1.478 13.248 495 HZ3 LYS 71 HZ3 LYS 71 -4.755 -0.031 13.892 496 H GLU 72 H GLU 72 -5.637 -1.661 7.090 497 HA GLU 72 HA GLU 72 -4.728 -4.028 8.264 498 HB2 GLU 72 HB2 GLU 72 -7.110 -3.525 8.015 499 HB3 GLU 72 HB3 GLU 72 -6.978 -3.644 6.256 500 HG2 GLU 72 HG2 GLU 72 -6.510 -6.035 6.393 501 HG3 GLU 72 HG3 GLU 72 -6.455 -5.956 8.157 502 H SER 73 H SER 73 -4.978 -3.290 4.781 503 HA SER 73 HA SER 73 -4.122 -5.857 3.854 504 HB2 SER 73 HB2 SER 73 -3.901 -3.207 2.374 505 HB3 SER 73 HB3 SER 73 -4.001 -4.834 1.678 506 HG SER 73 HG SER 73 -6.004 -3.329 3.023 507 H MET 74 H MET 74 -2.274 -2.745 4.119 508 HA MET 74 HA MET 74 0.169 -3.983 3.307 509 HB2 MET 74 HB2 MET 74 1.225 -1.925 3.684 510 HB3 MET 74 HB3 MET 74 -0.385 -1.559 3.068 511 HG2 MET 74 HG2 MET 74 -1.118 -1.084 5.418 512 HG3 MET 74 HG3 MET 74 0.525 -1.407 5.975 513 HE1 MET 74 HE1 MET 74 0.685 2.334 6.574 514 HE2 MET 74 HE2 MET 74 -0.845 1.459 6.767 515 HE3 MET 74 HE3 MET 74 0.685 0.685 7.231 516 H ARG 75 H ARG 75 -1.209 -3.560 6.546 517 HA ARG 75 HA ARG 75 1.173 -4.437 7.917 518 HB2 ARG 75 HB2 ARG 75 -0.631 -2.975 8.843 519 HB3 ARG 75 HB3 ARG 75 -1.674 -4.404 8.981 520 HG2 ARG 75 HG2 ARG 75 -0.058 -5.439 10.536 521 HG3 ARG 75 HG3 ARG 75 1.083 -4.106 10.259 522 HD2 ARG 75 HD2 ARG 75 -0.689 -2.517 11.154 523 HD3 ARG 75 HD3 ARG 75 -1.652 -3.934 11.592 524 HE ARG 75 HE ARG 75 -0.250 -4.355 13.375 525 HH11 ARG 75 HH11 ARG 75 1.327 -1.903 11.311 526 HH12 ARG 75 HH12 ARG 75 2.570 -1.563 12.496 527 HH21 ARG 75 HH21 ARG 75 1.359 -3.853 14.882 528 HH22 ARG 75 HH22 ARG 75 2.584 -2.660 14.511 529 H ALA 76 H ALA 76 -1.859 -6.123 6.981 530 HA ALA 76 HA ALA 76 -1.169 -8.717 7.840 531 HB1 ALA 76 HB1 ALA 76 -2.753 -9.469 6.068 532 HB2 ALA 76 HB2 ALA 76 -3.402 -8.128 7.022 533 HB3 ALA 76 HB3 ALA 76 -2.764 -7.833 5.388 534 H LEU 77 H LEU 77 -0.451 -7.196 4.610 535 HA LEU 77 HA LEU 77 1.192 -9.306 3.702 536 HB2 LEU 77 HB2 LEU 77 0.235 -7.589 2.297 537 HB3 LEU 77 HB3 LEU 77 1.262 -6.345 2.997 538 HG LEU 77 HG LEU 77 2.628 -8.761 1.800 539 HD11 LEU 77 HD11 LEU 77 0.944 -8.339 0.120 540 HD12 LEU 77 HD12 LEU 77 2.498 -7.740 -0.474 541 HD13 LEU 77 HD13 LEU 77 1.276 -6.601 0.151 542 HD21 LEU 77 HD21 LEU 77 4.230 -7.054 1.013 543 HD22 LEU 77 HD22 LEU 77 3.982 -6.896 2.752 544 HD23 LEU 77 HD23 LEU 77 3.192 -5.758 1.638 545 H GLY 78 H GLY 78 2.223 -6.352 5.514 546 HA2 GLY 78 HA2 GLY 78 5.001 -6.925 5.617 547 HA3 GLY 78 HA3 GLY 78 4.099 -5.960 6.794 548 H PHE 79 H PHE 79 2.389 -8.180 7.691 549 HA PHE 79 HA PHE 79 4.208 -9.643 9.424 550 HB2 PHE 79 HB2 PHE 79 2.030 -8.738 10.140 551 HB3 PHE 79 HB3 PHE 79 1.205 -9.802 9.012 552 HD1 PHE 79 HD1 PHE 79 4.086 -10.986 11.133 553 HD2 PHE 79 HD2 PHE 79 -0.210 -10.715 10.732 554 HE1 PHE 79 HE1 PHE 79 3.809 -12.640 12.941 555 HE2 PHE 79 HE2 PHE 79 -0.470 -12.376 12.556 556 HZ PHE 79 HZ PHE 79 1.541 -13.343 13.654 557 H LYS 80 H LYS 80 2.360 -10.454 6.499 558 HA LYS 80 HA LYS 80 2.837 -13.289 6.588 559 HB2 LYS 80 HB2 LYS 80 0.958 -12.209 5.403 560 HB3 LYS 80 HB3 LYS 80 2.095 -11.504 4.238 561 HG2 LYS 80 HG2 LYS 80 2.778 -13.776 3.531 562 HG3 LYS 80 HG3 LYS 80 1.684 -14.484 4.735 563 HD2 LYS 80 HD2 LYS 80 -0.260 -13.571 3.573 564 HD3 LYS 80 HD3 LYS 80 0.795 -12.699 2.430 565 HE2 LYS 80 HE2 LYS 80 1.788 -14.867 1.715 566 HE3 LYS 80 HE3 LYS 80 0.710 -15.728 2.816 567 HZ1 LYS 80 HZ1 LYS 80 -1.164 -14.851 1.532 568 HZ2 LYS 80 HZ2 LYS 80 -0.131 -15.748 0.598 569 HZ3 LYS 80 HZ3 LYS 80 -0.121 -14.092 0.493 570 H ILE 81 H ILE 81 4.580 -10.731 4.757 571 HA ILE 81 HA ILE 81 6.266 -12.644 3.421 572 HB ILE 81 HB ILE 81 7.438 -10.844 2.418 573 HG12 ILE 81 HG12 ILE 81 5.982 -8.914 4.266 574 HG13 ILE 81 HG13 ILE 81 7.695 -9.333 4.328 575 HG21 ILE 81 HG21 ILE 81 4.468 -10.191 2.527 576 HG22 ILE 81 HG22 ILE 81 5.590 -9.900 1.184 577 HG23 ILE 81 HG23 ILE 81 5.172 -11.553 1.634 578 HD11 ILE 81 HD11 ILE 81 6.309 -7.864 2.063 579 HD12 ILE 81 HD12 ILE 81 7.512 -7.236 3.201 580 HD13 ILE 81 HD13 ILE 81 7.988 -8.453 2.006 Start of MODEL 18 1 H ASN 1 H ASN 1 -8.257 6.079 -18.530 2 HA ASN 1 HA ASN 1 -6.679 6.678 -16.964 3 HB2 ASN 1 HB2 ASN 1 -6.681 8.992 -16.934 4 HB3 ASN 1 HB3 ASN 1 -8.363 9.138 -16.502 5 HD21 ASN 1 HD21 ASN 1 -5.110 8.670 -15.212 6 HD22 ASN 1 HD22 ASN 1 -5.641 8.911 -13.567 7 H GLY 2 H GLY 2 -9.934 7.356 -15.519 8 HA2 GLY 2 HA2 GLY 2 -11.192 6.059 -14.082 9 HA3 GLY 2 HA3 GLY 2 -10.381 4.635 -14.728 10 H ASN 3 H ASN 3 -8.241 6.905 -13.347 11 HA ASN 3 HA ASN 3 -7.331 5.192 -11.218 12 HB2 ASN 3 HB2 ASN 3 -6.100 6.818 -12.697 13 HB3 ASN 3 HB3 ASN 3 -6.579 8.051 -11.510 14 HD21 ASN 3 HD21 ASN 3 -4.150 7.874 -11.694 15 HD22 ASN 3 HD22 ASN 3 -3.307 6.612 -10.787 16 H ILE 4 H ILE 4 -7.167 5.759 -8.991 17 HA ILE 4 HA ILE 4 -9.152 6.955 -7.423 18 HB ILE 4 HB ILE 4 -6.139 6.860 -7.052 19 HG12 ILE 4 HG12 ILE 4 -6.664 5.137 -5.257 20 HG13 ILE 4 HG13 ILE 4 -8.277 5.015 -5.897 21 HG21 ILE 4 HG21 ILE 4 -6.834 8.577 -5.612 22 HG22 ILE 4 HG22 ILE 4 -8.268 7.648 -5.048 23 HG23 ILE 4 HG23 ILE 4 -6.615 7.169 -4.616 24 HD11 ILE 4 HD11 ILE 4 -5.628 4.502 -7.368 25 HD12 ILE 4 HD12 ILE 4 -6.672 3.251 -6.667 26 HD13 ILE 4 HD13 ILE 4 -7.248 4.173 -8.057 27 H ASN 5 H ASN 5 -9.734 9.025 -6.902 28 HA ASN 5 HA ASN 5 -8.274 11.371 -7.888 29 HB2 ASN 5 HB2 ASN 5 -10.751 11.287 -7.708 30 HB3 ASN 5 HB3 ASN 5 -10.627 11.088 -5.956 31 HD21 ASN 5 HD21 ASN 5 -9.694 13.271 -8.614 32 HD22 ASN 5 HD22 ASN 5 -9.670 14.730 -7.597 33 H TRP 6 H TRP 6 -6.281 11.686 -6.975 34 HA TRP 6 HA TRP 6 -5.684 10.806 -4.250 35 HB2 TRP 6 HB2 TRP 6 -3.853 12.218 -6.190 36 HB3 TRP 6 HB3 TRP 6 -3.396 11.296 -4.769 37 HD1 TRP 6 HD1 TRP 6 -3.457 11.014 -8.289 38 HE1 TRP 6 HE1 TRP 6 -3.396 8.576 -9.162 39 HE3 TRP 6 HE3 TRP 6 -4.294 8.667 -3.906 40 HZ2 TRP 6 HZ2 TRP 6 -3.090 5.993 -7.907 41 HZ3 TRP 6 HZ3 TRP 6 -4.003 6.217 -3.721 42 HH2 TRP 6 HH2 TRP 6 -3.472 4.849 -5.721 43 H ASN 7 H ASN 7 -7.507 12.668 -3.870 44 HA ASN 7 HA ASN 7 -6.149 14.997 -2.558 45 HB2 ASN 7 HB2 ASN 7 -6.877 15.383 -5.047 46 HB3 ASN 7 HB3 ASN 7 -8.489 15.526 -4.360 47 HD21 ASN 7 HD21 ASN 7 -8.782 17.313 -2.733 48 HD22 ASN 7 HD22 ASN 7 -7.495 18.495 -2.522 49 H SER 8 H SER 8 -7.667 16.148 -1.155 50 HA SER 8 HA SER 8 -8.509 16.060 0.923 51 HB2 SER 8 HB2 SER 8 -10.669 15.597 0.081 52 HB3 SER 8 HB3 SER 8 -10.294 13.880 -0.103 53 HG SER 8 HG SER 8 -10.927 15.339 2.186 54 HA PRO 9 HA PRO 9 -5.312 13.793 2.445 55 HB2 PRO 9 HB2 PRO 9 -5.441 14.123 5.191 56 HB3 PRO 9 HB3 PRO 9 -5.048 15.417 4.025 57 HG2 PRO 9 HG2 PRO 9 -7.751 14.784 5.243 58 HG3 PRO 9 HG3 PRO 9 -6.921 16.374 5.135 59 HD2 PRO 9 HD2 PRO 9 -8.785 15.696 3.323 60 HD3 PRO 9 HD3 PRO 9 -7.280 16.502 2.791 61 H CYS 10 H CYS 10 -8.377 12.436 3.421 62 HA CYS 10 HA CYS 10 -7.549 10.379 5.125 63 HB2 CYS 10 HB2 CYS 10 -9.603 9.222 4.441 64 HB3 CYS 10 HB3 CYS 10 -9.864 10.923 4.807 65 H LEU 11 H LEU 11 -7.982 9.954 1.577 66 HA LEU 11 HA LEU 11 -5.949 7.792 1.529 67 HB2 LEU 11 HB2 LEU 11 -8.179 7.767 0.416 68 HB3 LEU 11 HB3 LEU 11 -7.630 9.013 -0.702 69 HG LEU 11 HG LEU 11 -6.606 6.155 -0.349 70 HD11 LEU 11 HD11 LEU 11 -8.300 7.451 -2.528 71 HD12 LEU 11 HD12 LEU 11 -8.883 6.296 -1.307 72 HD13 LEU 11 HD13 LEU 11 -7.714 5.772 -2.522 73 HD21 LEU 11 HD21 LEU 11 -5.978 8.330 -2.408 74 HD22 LEU 11 HD22 LEU 11 -5.635 6.597 -2.610 75 HD23 LEU 11 HD23 LEU 11 -4.806 7.495 -1.349 76 H GLY 12 H GLY 12 -6.282 11.228 0.662 77 HA2 GLY 12 HA2 GLY 12 -4.141 11.632 -1.086 78 HA3 GLY 12 HA3 GLY 12 -4.724 12.820 0.081 79 H GLY 13 H GLY 13 -3.926 11.727 2.532 80 HA2 GLY 13 HA2 GLY 13 -1.116 12.209 2.704 81 HA3 GLY 13 HA3 GLY 13 -2.129 11.453 3.939 82 H MET 14 H MET 14 -2.936 9.115 2.532 83 HA MET 14 HA MET 14 -0.726 7.353 2.704 84 HB2 MET 14 HB2 MET 14 -3.436 7.049 2.531 85 HB3 MET 14 HB3 MET 14 -2.943 6.556 0.927 86 HG2 MET 14 HG2 MET 14 -2.892 4.586 2.279 87 HG3 MET 14 HG3 MET 14 -1.203 5.054 2.069 88 HE1 MET 14 HE1 MET 14 -0.400 3.538 4.186 89 HE2 MET 14 HE2 MET 14 -1.300 3.494 5.713 90 HE3 MET 14 HE3 MET 14 -2.081 2.953 4.210 91 H ALA 15 H ALA 15 -2.225 8.756 -0.195 92 HA ALA 15 HA ALA 15 -0.050 8.030 -1.959 93 HB1 ALA 15 HB1 ALA 15 -2.486 9.824 -2.348 94 HB2 ALA 15 HB2 ALA 15 -1.389 9.337 -3.645 95 HB3 ALA 15 HB3 ALA 15 -2.303 8.111 -2.780 96 H SER 16 H SER 16 0.403 10.032 0.397 97 HA SER 16 HA SER 16 2.159 11.947 -1.131 98 HB2 SER 16 HB2 SER 16 0.997 12.232 1.664 99 HB3 SER 16 HB3 SER 16 2.045 13.392 0.830 100 HG SER 16 HG SER 16 -0.568 12.580 0.090 101 H GLY 17 H GLY 17 4.081 12.666 0.670 102 HA2 GLY 17 HA2 GLY 17 5.687 11.856 2.289 103 HA3 GLY 17 HA3 GLY 17 4.983 10.290 2.149 104 HA PRO 18 HA PRO 18 9.255 10.072 0.020 105 HB2 PRO 18 HB2 PRO 18 9.842 7.734 1.337 106 HB3 PRO 18 HB3 PRO 18 10.154 9.383 1.949 107 HG2 PRO 18 HG2 PRO 18 7.689 7.699 2.577 108 HG3 PRO 18 HG3 PRO 18 8.855 8.395 3.742 109 HD2 PRO 18 HD2 PRO 18 6.723 9.785 3.179 110 HD3 PRO 18 HD3 PRO 18 8.272 10.644 3.050 111 H CYS 19 H CYS 19 6.531 7.880 0.580 112 HA CYS 19 HA CYS 19 7.354 6.184 -1.750 113 HB2 CYS 19 HB2 CYS 19 5.895 5.313 0.736 114 HB3 CYS 19 HB3 CYS 19 6.517 4.271 -0.519 115 H GLY 20 H GLY 20 5.483 8.573 -1.579 116 HA2 GLY 20 HA2 GLY 20 2.769 7.793 -1.430 117 HA3 GLY 20 HA3 GLY 20 3.383 9.198 -2.320 118 H GLU 21 H GLU 21 4.896 8.033 -4.198 119 HA GLU 21 HA GLU 21 3.248 7.137 -6.339 120 HB2 GLU 21 HB2 GLU 21 5.400 6.817 -7.404 121 HB3 GLU 21 HB3 GLU 21 5.330 8.332 -6.543 122 HG2 GLU 21 HG2 GLU 21 6.589 6.065 -5.066 123 HG3 GLU 21 HG3 GLU 21 7.428 6.599 -6.510 124 H GLN 22 H GLN 22 5.033 5.178 -3.935 125 HA GLN 22 HA GLN 22 4.380 2.686 -5.202 126 HB2 GLN 22 HB2 GLN 22 4.741 2.881 -2.202 127 HB3 GLN 22 HB3 GLN 22 5.137 1.600 -3.325 128 HG2 GLN 22 HG2 GLN 22 6.571 4.214 -2.895 129 HG3 GLN 22 HG3 GLN 22 7.088 2.630 -2.410 130 HE21 GLN 22 HE21 GLN 22 8.550 4.570 -3.911 131 HE22 GLN 22 HE22 GLN 22 8.801 3.923 -5.535 132 H PHE 23 H PHE 23 2.634 4.707 -2.735 133 HA PHE 23 HA PHE 23 0.426 2.914 -2.570 134 HB2 PHE 23 HB2 PHE 23 0.888 5.178 -1.174 135 HB3 PHE 23 HB3 PHE 23 -0.048 5.891 -2.445 136 HD1 PHE 23 HD1 PHE 23 -0.266 2.698 -0.474 137 HD2 PHE 23 HD2 PHE 23 -2.341 6.163 -1.927 138 HE1 PHE 23 HE1 PHE 23 -2.359 1.849 0.540 139 HE2 PHE 23 HE2 PHE 23 -4.431 5.333 -0.858 140 HZ PHE 23 HZ PHE 23 -4.476 3.131 0.260 141 H LYS 24 H LYS 24 0.987 5.703 -4.753 142 HA LYS 24 HA LYS 24 -1.324 5.583 -6.295 143 HB2 LYS 24 HB2 LYS 24 1.407 5.936 -7.495 144 HB3 LYS 24 HB3 LYS 24 -0.056 6.511 -8.140 145 HG2 LYS 24 HG2 LYS 24 1.209 7.612 -5.622 146 HG3 LYS 24 HG3 LYS 24 1.271 8.286 -7.243 147 HD2 LYS 24 HD2 LYS 24 -1.285 8.222 -7.143 148 HD3 LYS 24 HD3 LYS 24 -1.164 7.923 -5.439 149 HE2 LYS 24 HE2 LYS 24 -1.460 10.315 -5.825 150 HE3 LYS 24 HE3 LYS 24 0.206 10.078 -5.269 151 HZ1 LYS 24 HZ1 LYS 24 -0.424 10.107 -8.172 152 HZ2 LYS 24 HZ2 LYS 24 1.001 10.456 -7.451 153 HZ3 LYS 24 HZ3 LYS 24 -0.237 11.532 -7.388 154 H SER 25 H SER 25 1.658 3.853 -6.910 155 HA SER 25 HA SER 25 0.791 2.256 -9.061 156 HB2 SER 25 HB2 SER 25 3.084 2.877 -8.264 157 HB3 SER 25 HB3 SER 25 2.962 1.659 -7.004 158 HG SER 25 HG SER 25 4.059 0.979 -8.823 159 H ALA 26 H ALA 26 0.847 1.426 -5.545 160 HA ALA 26 HA ALA 26 -0.178 -1.219 -5.880 161 HB1 ALA 26 HB1 ALA 26 1.105 -0.477 -3.908 162 HB2 ALA 26 HB2 ALA 26 -0.223 0.604 -3.438 163 HB3 ALA 26 HB3 ALA 26 -0.462 -1.155 -3.437 164 H PHE 27 H PHE 27 -1.992 1.717 -4.739 165 HA PHE 27 HA PHE 27 -4.449 0.263 -4.755 166 HB2 PHE 27 HB2 PHE 27 -3.581 2.857 -3.863 167 HB3 PHE 27 HB3 PHE 27 -5.028 3.055 -4.831 168 HD1 PHE 27 HD1 PHE 27 -3.838 0.413 -2.421 169 HD2 PHE 27 HD2 PHE 27 -6.918 3.263 -3.412 170 HE1 PHE 27 HE1 PHE 27 -5.207 -0.403 -0.511 171 HE2 PHE 27 HE2 PHE 27 -8.264 2.479 -1.422 172 HZ PHE 27 HZ PHE 27 -7.415 0.613 -0.047 173 H SER 28 H SER 28 -3.101 2.460 -7.294 174 HA SER 28 HA SER 28 -5.315 2.082 -9.059 175 HB2 SER 28 HB2 SER 28 -3.918 2.816 -10.813 176 HB3 SER 28 HB3 SER 28 -3.602 3.779 -9.355 177 HG SER 28 HG SER 28 -1.713 2.861 -9.088 178 H CYS 29 H CYS 29 -2.248 0.090 -8.912 179 HA CYS 29 HA CYS 29 -3.157 -1.775 -10.787 180 HB2 CYS 29 HB2 CYS 29 -0.839 -1.469 -9.814 181 HB3 CYS 29 HB3 CYS 29 -1.340 -2.427 -8.442 182 H PHE 30 H PHE 30 -3.768 -1.905 -7.203 183 HA PHE 30 HA PHE 30 -5.480 -4.129 -7.191 184 HB2 PHE 30 HB2 PHE 30 -4.944 -3.317 -5.105 185 HB3 PHE 30 HB3 PHE 30 -5.213 -1.648 -5.550 186 HD1 PHE 30 HD1 PHE 30 -7.517 -4.648 -5.571 187 HD2 PHE 30 HD2 PHE 30 -6.733 -0.667 -4.119 188 HE1 PHE 30 HE1 PHE 30 -9.742 -4.608 -4.481 189 HE2 PHE 30 HE2 PHE 30 -8.953 -0.629 -3.028 190 HZ PHE 30 HZ PHE 30 -10.475 -2.588 -3.220 191 H HIS 31 H HIS 31 -6.505 -0.748 -7.882 192 HA HIS 31 HA HIS 31 -9.237 -1.318 -8.419 193 HB2 HIS 31 HB2 HIS 31 -7.346 0.931 -8.926 194 HB3 HIS 31 HB3 HIS 31 -8.644 0.813 -10.091 195 HD1 HIS 31 HD1 HIS 31 -10.810 1.996 -9.440 196 HD2 HIS 31 HD2 HIS 31 -8.320 1.013 -6.186 197 HE1 HIS 31 HE1 HIS 31 -11.901 3.012 -7.369 198 H TYR 32 H TYR 32 -6.497 -1.492 -10.650 199 HA TYR 32 HA TYR 32 -8.205 -2.299 -12.873 200 HB2 TYR 32 HB2 TYR 32 -5.194 -2.293 -12.507 201 HB3 TYR 32 HB3 TYR 32 -6.043 -2.518 -14.029 202 HD1 TYR 32 HD1 TYR 32 -8.104 -0.450 -14.099 203 HD2 TYR 32 HD2 TYR 32 -4.173 -0.160 -12.383 204 HE1 TYR 32 HE1 TYR 32 -8.004 1.955 -14.740 205 HE2 TYR 32 HE2 TYR 32 -4.045 2.222 -13.068 206 HH TYR 32 HH TYR 32 -6.717 3.914 -14.723 207 H SER 33 H SER 33 -6.568 -4.015 -10.335 208 HA SER 33 HA SER 33 -6.434 -6.579 -11.717 209 HB2 SER 33 HB2 SER 33 -4.740 -5.865 -10.093 210 HB3 SER 33 HB3 SER 33 -5.942 -5.862 -8.803 211 HG SER 33 HG SER 33 -5.137 -8.088 -10.388 212 H THR 34 H THR 34 -7.952 -5.828 -8.623 213 HA THR 34 HA THR 34 -9.829 -6.462 -7.570 214 HB THR 34 HB THR 34 -11.989 -6.522 -8.761 215 HG1 THR 34 HG1 THR 34 -11.446 -7.151 -10.804 216 HG21 THR 34 HG21 THR 34 -11.948 -4.142 -9.273 217 HG22 THR 34 HG22 THR 34 -10.175 -4.163 -9.401 218 HG23 THR 34 HG23 THR 34 -10.951 -4.458 -7.841 219 H GLU 35 H GLU 35 -8.031 -8.574 -8.257 220 HA GLU 35 HA GLU 35 -9.302 -10.950 -9.113 221 HB2 GLU 35 HB2 GLU 35 -6.866 -10.349 -7.443 222 HB3 GLU 35 HB3 GLU 35 -7.364 -12.010 -7.672 223 HG2 GLU 35 HG2 GLU 35 -6.761 -10.065 -9.945 224 HG3 GLU 35 HG3 GLU 35 -5.586 -11.181 -9.256 225 H GLU 36 H GLU 36 -8.404 -10.371 -5.729 226 HA GLU 36 HA GLU 36 -10.857 -11.497 -4.612 227 HB2 GLU 36 HB2 GLU 36 -9.696 -13.561 -5.475 228 HB3 GLU 36 HB3 GLU 36 -8.313 -13.183 -4.443 229 HG2 GLU 36 HG2 GLU 36 -9.763 -13.357 -2.435 230 HG3 GLU 36 HG3 GLU 36 -11.155 -13.675 -3.465 231 H ILE 37 H ILE 37 -7.407 -11.181 -4.013 232 HA ILE 37 HA ILE 37 -7.795 -9.833 -1.370 233 HB ILE 37 HB ILE 37 -5.702 -11.492 -2.690 234 HG12 ILE 37 HG12 ILE 37 -5.275 -12.225 -0.387 235 HG13 ILE 37 HG13 ILE 37 -6.387 -10.980 0.189 236 HG21 ILE 37 HG21 ILE 37 -4.359 -9.415 -2.481 237 HG22 ILE 37 HG22 ILE 37 -4.788 -9.330 -0.754 238 HG23 ILE 37 HG23 ILE 37 -3.818 -10.670 -1.376 239 HD11 ILE 37 HD11 ILE 37 -7.335 -13.329 0.110 240 HD12 ILE 37 HD12 ILE 37 -8.287 -12.151 -0.807 241 HD13 ILE 37 HD13 ILE 37 -7.195 -13.276 -1.656 242 H LYS 38 H LYS 38 -6.671 -7.711 -0.964 243 HA LYS 38 HA LYS 38 -7.020 -5.833 -3.043 244 HB2 LYS 38 HB2 LYS 38 -5.107 -5.596 -0.678 245 HB3 LYS 38 HB3 LYS 38 -5.652 -4.265 -1.690 246 HG2 LYS 38 HG2 LYS 38 -7.381 -5.928 0.164 247 HG3 LYS 38 HG3 LYS 38 -6.748 -4.309 0.471 248 HD2 LYS 38 HD2 LYS 38 -8.210 -3.346 -1.221 249 HD3 LYS 38 HD3 LYS 38 -8.617 -4.946 -1.854 250 HE2 LYS 38 HE2 LYS 38 -10.512 -4.461 -0.607 251 HE3 LYS 38 HE3 LYS 38 -9.562 -5.501 0.451 252 HZ1 LYS 38 HZ1 LYS 38 -10.058 -2.606 0.665 253 HZ2 LYS 38 HZ2 LYS 38 -8.706 -3.227 1.376 254 HZ3 LYS 38 HZ3 LYS 38 -10.189 -3.749 1.829 255 H GLY 39 H GLY 39 -6.171 -6.156 -4.939 256 HA2 GLY 39 HA2 GLY 39 -4.699 -6.500 -6.662 257 HA3 GLY 39 HA3 GLY 39 -3.549 -5.569 -5.697 258 H SER 40 H SER 40 -4.866 -8.928 -5.055 259 HA SER 40 HA SER 40 -2.401 -10.061 -4.416 260 HB2 SER 40 HB2 SER 40 -3.613 -12.221 -5.492 261 HB3 SER 40 HB3 SER 40 -3.953 -11.572 -3.905 262 HG SER 40 HG SER 40 -5.703 -12.047 -5.563 263 H ASP 41 H ASP 41 -3.630 -9.841 -7.825 264 HA ASP 41 HA ASP 41 -0.957 -10.730 -8.697 265 HB2 ASP 41 HB2 ASP 41 -2.999 -11.618 -9.758 266 HB3 ASP 41 HB3 ASP 41 -3.301 -10.021 -10.442 267 H CYS 42 H CYS 42 -1.288 -8.273 -7.324 268 HA CYS 42 HA CYS 42 0.398 -6.484 -9.024 269 HB2 CYS 42 HB2 CYS 42 -2.067 -5.772 -7.401 270 HB3 CYS 42 HB3 CYS 42 -0.863 -4.569 -7.813 271 H VAL 43 H VAL 43 0.633 -8.464 -6.660 272 HA VAL 43 HA VAL 43 0.996 -7.130 -4.220 273 HB VAL 43 HB VAL 43 0.643 -9.514 -4.438 274 HG11 VAL 43 HG11 VAL 43 3.521 -9.656 -5.408 275 HG12 VAL 43 HG12 VAL 43 2.454 -11.034 -5.055 276 HG13 VAL 43 HG13 VAL 43 2.068 -9.950 -6.390 277 HG21 VAL 43 HG21 VAL 43 3.270 -8.978 -2.992 278 HG22 VAL 43 HG22 VAL 43 1.640 -8.634 -2.356 279 HG23 VAL 43 HG23 VAL 43 2.124 -10.301 -2.694 280 H ASP 44 H ASP 44 3.394 -7.457 -6.843 281 HA ASP 44 HA ASP 44 5.669 -6.747 -5.360 282 HB2 ASP 44 HB2 ASP 44 5.652 -7.542 -7.704 283 HB3 ASP 44 HB3 ASP 44 5.039 -5.970 -8.233 284 H GLN 45 H GLN 45 3.062 -4.628 -6.509 285 HA GLN 45 HA GLN 45 4.440 -2.153 -5.964 286 HB2 GLN 45 HB2 GLN 45 1.523 -2.833 -6.431 287 HB3 GLN 45 HB3 GLN 45 2.134 -1.207 -6.115 288 HG2 GLN 45 HG2 GLN 45 1.912 -1.501 -8.487 289 HG3 GLN 45 HG3 GLN 45 3.597 -1.287 -8.037 290 HE21 GLN 45 HE21 GLN 45 1.228 -3.791 -9.080 291 HE22 GLN 45 HE22 GLN 45 2.491 -4.824 -9.747 292 H PHE 46 H PHE 46 2.068 -4.093 -4.084 293 HA PHE 46 HA PHE 46 2.041 -2.418 -1.737 294 HB2 PHE 46 HB2 PHE 46 1.505 -5.392 -2.136 295 HB3 PHE 46 HB3 PHE 46 1.235 -4.534 -0.631 296 HD1 PHE 46 HD1 PHE 46 0.012 -4.839 -4.140 297 HD2 PHE 46 HD2 PHE 46 -0.679 -3.178 -0.209 298 HE1 PHE 46 HE1 PHE 46 -2.203 -3.946 -4.871 299 HE2 PHE 46 HE2 PHE 46 -2.873 -2.350 -0.915 300 HZ PHE 46 HZ PHE 46 -3.644 -2.706 -3.270 301 H ARG 47 H ARG 47 3.950 -5.295 -2.599 302 HA ARG 47 HA ARG 47 5.658 -5.409 -0.416 303 HB2 ARG 47 HB2 ARG 47 5.455 -7.056 -2.279 304 HB3 ARG 47 HB3 ARG 47 6.459 -6.000 -3.288 305 HG2 ARG 47 HG2 ARG 47 8.331 -6.229 -1.712 306 HG3 ARG 47 HG3 ARG 47 7.300 -7.135 -0.582 307 HD2 ARG 47 HD2 ARG 47 6.975 -8.893 -2.310 308 HD3 ARG 47 HD3 ARG 47 8.080 -8.021 -3.392 309 HE ARG 47 HE ARG 47 9.601 -8.305 -1.167 310 HH11 ARG 47 HH11 ARG 47 7.699 -10.712 -2.992 311 HH12 ARG 47 HH12 ARG 47 8.763 -12.030 -2.558 312 HH21 ARG 47 HH21 ARG 47 10.947 -10.046 -0.634 313 HH22 ARG 47 HH22 ARG 47 10.587 -11.657 -1.213 314 H ALA 48 H ALA 48 6.151 -3.460 -3.411 315 HA ALA 48 HA ALA 48 8.485 -2.126 -2.525 316 HB1 ALA 48 HB1 ALA 48 6.348 -1.269 -4.478 317 HB2 ALA 48 HB2 ALA 48 7.931 -0.473 -4.242 318 HB3 ALA 48 HB3 ALA 48 7.866 -2.155 -4.811 319 H MET 49 H MET 49 5.013 -1.193 -2.008 320 HA MET 49 HA MET 49 5.520 1.223 -0.661 321 HB2 MET 49 HB2 MET 49 3.274 0.403 -1.361 322 HB3 MET 49 HB3 MET 49 3.328 -0.798 -0.067 323 HG2 MET 49 HG2 MET 49 3.583 1.103 1.583 324 HG3 MET 49 HG3 MET 49 3.271 2.213 0.239 325 HE1 MET 49 HE1 MET 49 1.283 3.330 1.417 326 HE2 MET 49 HE2 MET 49 -0.090 2.463 2.147 327 HE3 MET 49 HE3 MET 49 1.528 2.329 2.864 328 H GLN 50 H GLN 50 5.211 -2.037 0.886 329 HA GLN 50 HA GLN 50 6.050 -1.193 3.449 330 HB2 GLN 50 HB2 GLN 50 4.985 -3.330 3.093 331 HB3 GLN 50 HB3 GLN 50 6.275 -3.870 2.021 332 HG2 GLN 50 HG2 GLN 50 6.439 -4.921 4.245 333 HG3 GLN 50 HG3 GLN 50 7.866 -3.977 3.854 334 HE21 GLN 50 HE21 GLN 50 8.509 -3.641 6.018 335 HE22 GLN 50 HE22 GLN 50 7.563 -2.633 7.123 336 H GLU 51 H GLU 51 8.014 -2.546 0.871 337 HA GLU 51 HA GLU 51 10.609 -2.484 2.043 338 HB2 GLU 51 HB2 GLU 51 9.803 -3.753 0.081 339 HB3 GLU 51 HB3 GLU 51 9.560 -2.262 -0.789 340 HG2 GLU 51 HG2 GLU 51 11.453 -2.410 -1.737 341 HG3 GLU 51 HG3 GLU 51 12.318 -2.280 -0.198 342 H CYS 52 H CYS 52 8.815 0.091 0.468 343 HA CYS 52 HA CYS 52 11.066 1.981 0.616 344 HB2 CYS 52 HB2 CYS 52 9.407 1.997 -1.243 345 HB3 CYS 52 HB3 CYS 52 8.140 2.269 -0.117 346 H MET 53 H MET 53 8.042 1.326 2.502 347 HA MET 53 HA MET 53 8.363 3.800 3.967 348 HB2 MET 53 HB2 MET 53 6.383 1.515 4.160 349 HB3 MET 53 HB3 MET 53 6.423 2.818 5.358 350 HG2 MET 53 HG2 MET 53 6.157 4.517 3.618 351 HG3 MET 53 HG3 MET 53 6.208 3.282 2.367 352 HE1 MET 53 HE1 MET 53 4.139 2.960 5.802 353 HE2 MET 53 HE2 MET 53 4.015 4.700 5.424 354 HE3 MET 53 HE3 MET 53 2.592 3.653 5.286 355 H GLN 54 H GLN 54 9.360 0.549 4.486 356 HA GLN 54 HA GLN 54 10.173 0.629 7.170 357 HB2 GLN 54 HB2 GLN 54 11.483 -1.286 6.530 358 HB3 GLN 54 HB3 GLN 54 9.979 -1.302 5.693 359 HG2 GLN 54 HG2 GLN 54 11.435 -1.968 4.063 360 HG3 GLN 54 HG3 GLN 54 11.234 -0.257 3.714 361 HE21 GLN 54 HE21 GLN 54 13.152 -0.448 2.495 362 HE22 GLN 54 HE22 GLN 54 14.736 -0.625 3.239 363 H LYS 55 H LYS 55 11.554 2.499 4.552 364 HA LYS 55 HA LYS 55 14.134 3.059 5.703 365 HB2 LYS 55 HB2 LYS 55 12.358 4.821 3.974 366 HB3 LYS 55 HB3 LYS 55 14.052 5.112 4.299 367 HG2 LYS 55 HG2 LYS 55 13.163 2.530 2.958 368 HG3 LYS 55 HG3 LYS 55 13.291 4.020 2.045 369 HD2 LYS 55 HD2 LYS 55 15.612 2.745 3.553 370 HD3 LYS 55 HD3 LYS 55 15.256 2.559 1.829 371 HE2 LYS 55 HE2 LYS 55 15.306 5.180 1.760 372 HE3 LYS 55 HE3 LYS 55 16.153 5.051 3.305 373 HZ1 LYS 55 HZ1 LYS 55 16.992 4.038 0.659 374 HZ2 LYS 55 HZ2 LYS 55 17.738 3.497 2.026 375 HZ3 LYS 55 HZ3 LYS 55 17.804 5.079 1.601 376 H TYR 56 H TYR 56 10.959 4.363 6.607 377 HA TYR 56 HA TYR 56 12.315 6.443 8.269 378 HB2 TYR 56 HB2 TYR 56 10.188 7.122 6.237 379 HB3 TYR 56 HB3 TYR 56 11.050 8.175 7.337 380 HD1 TYR 56 HD1 TYR 56 13.842 7.504 7.156 381 HD2 TYR 56 HD2 TYR 56 10.907 7.514 4.010 382 HE1 TYR 56 HE1 TYR 56 15.588 8.083 5.553 383 HE2 TYR 56 HE2 TYR 56 12.662 8.148 2.370 384 HH TYR 56 HH TYR 56 16.113 8.524 3.385 385 HA PRO 57 HA PRO 57 8.537 5.536 10.635 386 HB2 PRO 57 HB2 PRO 57 9.309 6.426 13.085 387 HB3 PRO 57 HB3 PRO 57 10.022 4.966 12.343 388 HG2 PRO 57 HG2 PRO 57 11.155 7.789 12.348 389 HG3 PRO 57 HG3 PRO 57 11.993 6.262 12.766 390 HD2 PRO 57 HD2 PRO 57 12.140 7.443 10.279 391 HD3 PRO 57 HD3 PRO 57 12.200 5.672 10.516 392 H ASP 58 H ASP 58 9.888 8.823 10.456 393 HA ASP 58 HA ASP 58 7.336 10.045 11.339 394 HB2 ASP 58 HB2 ASP 58 8.454 9.143 13.268 395 HB3 ASP 58 HB3 ASP 58 9.800 10.259 12.932 396 H LEU 59 H LEU 59 7.754 10.710 9.156 397 HA LEU 59 HA LEU 59 9.771 12.839 8.730 398 HB2 LEU 59 HB2 LEU 59 11.042 10.947 8.553 399 HB3 LEU 59 HB3 LEU 59 9.788 9.937 7.935 400 HG LEU 59 HG LEU 59 11.782 10.234 6.573 401 HD11 LEU 59 HD11 LEU 59 10.701 10.288 4.415 402 HD12 LEU 59 HD12 LEU 59 9.233 10.984 5.129 403 HD13 LEU 59 HD13 LEU 59 9.769 9.341 5.577 404 HD21 LEU 59 HD21 LEU 59 12.253 12.040 5.271 405 HD22 LEU 59 HD22 LEU 59 11.883 12.742 6.878 406 HD23 LEU 59 HD23 LEU 59 10.679 12.794 5.560 407 H TYR 60 H TYR 60 6.722 11.704 8.295 408 HA TYR 60 HA TYR 60 5.857 13.364 6.049 409 HB2 TYR 60 HB2 TYR 60 5.174 11.468 4.613 410 HB3 TYR 60 HB3 TYR 60 6.900 11.633 4.780 411 HD1 TYR 60 HD1 TYR 60 7.922 10.058 6.821 412 HD2 TYR 60 HD2 TYR 60 4.449 9.255 4.435 413 HE1 TYR 60 HE1 TYR 60 8.122 7.787 7.482 414 HE2 TYR 60 HE2 TYR 60 4.822 6.855 4.787 415 HH TYR 60 HH TYR 60 5.975 5.266 5.901 416 H GLU 61 H GLU 61 -18.118 13.009 9.124 417 HA GLU 61 HA GLU 61 -16.396 15.199 8.161 418 HB2 GLU 61 HB2 GLU 61 -15.539 12.406 9.001 419 HB3 GLU 61 HB3 GLU 61 -14.561 13.548 8.082 420 HG2 GLU 61 HG2 GLU 61 -13.745 14.018 10.126 421 HG3 GLU 61 HG3 GLU 61 -15.069 15.182 10.118 422 H HIS 62 H HIS 62 -15.905 15.143 6.052 423 HA HIS 62 HA HIS 62 -17.528 13.852 4.125 424 HB2 HIS 62 HB2 HIS 62 -16.405 15.906 3.635 425 HB3 HIS 62 HB3 HIS 62 -14.827 15.242 4.040 426 HD1 HIS 62 HD1 HIS 62 -17.401 15.062 1.132 427 HD2 HIS 62 HD2 HIS 62 -13.413 14.133 2.135 428 HE1 HIS 62 HE1 HIS 62 -16.254 14.401 -1.029 429 H CYS 63 H CYS 63 -14.523 12.729 5.551 430 HA CYS 63 HA CYS 63 -14.705 10.081 4.279 431 HB2 CYS 63 HB2 CYS 63 -13.556 11.599 2.602 432 HB3 CYS 63 HB3 CYS 63 -12.314 11.917 3.812 433 H GLY 64 H GLY 64 -13.512 8.485 5.519 434 HA2 GLY 64 HA2 GLY 64 -11.252 9.048 7.108 435 HA3 GLY 64 HA3 GLY 64 -12.653 9.222 8.153 436 H HIS 65 H HIS 65 -13.676 6.750 6.219 437 HA HIS 65 HA HIS 65 -12.935 4.811 8.297 438 HB2 HIS 65 HB2 HIS 65 -14.817 4.549 5.934 439 HB3 HIS 65 HB3 HIS 65 -14.603 3.364 7.216 440 HD1 HIS 65 HD1 HIS 65 -16.688 6.290 6.377 441 HD2 HIS 65 HD2 HIS 65 -15.346 4.278 9.820 442 HE1 HIS 65 HE1 HIS 65 -18.229 7.021 8.275 443 H LEU 66 H LEU 66 -12.420 5.043 4.758 444 HA LEU 66 HA LEU 66 -11.437 2.450 4.342 445 HB2 LEU 66 HB2 LEU 66 -10.648 3.162 2.192 446 HB3 LEU 66 HB3 LEU 66 -12.167 3.985 2.553 447 HG LEU 66 HG LEU 66 -9.360 5.172 2.606 448 HD11 LEU 66 HD11 LEU 66 -10.318 4.729 0.355 449 HD12 LEU 66 HD12 LEU 66 -10.181 6.462 0.673 450 HD13 LEU 66 HD13 LEU 66 -11.761 5.665 0.790 451 HD21 LEU 66 HD21 LEU 66 -11.984 6.605 3.115 452 HD22 LEU 66 HD22 LEU 66 -10.411 7.372 2.828 453 HD23 LEU 66 HD23 LEU 66 -10.645 6.414 4.280 454 H ILE 67 H ILE 67 -9.550 5.262 5.389 455 HA ILE 67 HA ILE 67 -6.995 4.220 4.874 456 HB ILE 67 HB ILE 67 -7.524 6.533 5.249 457 HG12 ILE 67 HG12 ILE 67 -5.174 5.532 5.576 458 HG13 ILE 67 HG13 ILE 67 -5.497 7.206 5.985 459 HG21 ILE 67 HG21 ILE 67 -7.854 5.913 8.209 460 HG22 ILE 67 HG22 ILE 67 -7.772 7.528 7.487 461 HG23 ILE 67 HG23 ILE 67 -9.115 6.453 7.086 462 HD11 ILE 67 HD11 ILE 67 -5.395 5.012 8.079 463 HD12 ILE 67 HD12 ILE 67 -4.036 6.057 7.622 464 HD13 ILE 67 HD13 ILE 67 -5.486 6.763 8.349 465 H GLU 68 H GLU 68 -9.044 3.623 7.703 466 HA GLU 68 HA GLU 68 -7.112 2.271 9.310 467 HB2 GLU 68 HB2 GLU 68 -10.093 1.712 9.076 468 HB3 GLU 68 HB3 GLU 68 -9.041 1.264 10.415 469 HG2 GLU 68 HG2 GLU 68 -8.573 3.771 10.714 470 HG3 GLU 68 HG3 GLU 68 -9.918 4.061 9.604 471 H ALA 69 H ALA 69 -9.188 1.086 6.683 472 HA ALA 69 HA ALA 69 -8.146 -1.642 6.837 473 HB1 ALA 69 HB1 ALA 69 -10.484 -1.202 6.278 474 HB2 ALA 69 HB2 ALA 69 -9.990 -0.279 4.841 475 HB3 ALA 69 HB3 ALA 69 -9.657 -2.025 4.943 476 H HIS 70 H HIS 70 -7.359 1.250 4.801 477 HA HIS 70 HA HIS 70 -5.483 0.009 3.088 478 HB2 HIS 70 HB2 HIS 70 -5.055 2.643 4.582 479 HB3 HIS 70 HB3 HIS 70 -4.173 2.078 3.187 480 HD1 HIS 70 HD1 HIS 70 -7.711 1.483 2.321 481 HD2 HIS 70 HD2 HIS 70 -5.099 4.791 2.535 482 HE1 HIS 70 HE1 HIS 70 -8.593 3.303 0.733 483 H LYS 71 H LYS 71 -4.969 1.281 6.389 484 HA LYS 71 HA LYS 71 -2.384 0.243 6.867 485 HB2 LYS 71 HB2 LYS 71 -4.640 0.885 8.805 486 HB3 LYS 71 HB3 LYS 71 -2.994 0.467 9.304 487 HG2 LYS 71 HG2 LYS 71 -2.059 2.402 8.224 488 HG3 LYS 71 HG3 LYS 71 -3.577 2.772 7.408 489 HD2 LYS 71 HD2 LYS 71 -3.318 4.291 9.209 490 HD3 LYS 71 HD3 LYS 71 -4.662 3.222 9.605 491 HE2 LYS 71 HE2 LYS 71 -3.366 2.029 11.239 492 HE3 LYS 71 HE3 LYS 71 -1.847 2.703 10.627 493 HZ1 LYS 71 HZ1 LYS 71 -3.966 4.336 11.908 494 HZ2 LYS 71 HZ2 LYS 71 -2.501 4.862 11.373 495 HZ3 LYS 71 HZ3 LYS 71 -2.585 3.832 12.664 496 H GLU 72 H GLU 72 -5.482 -1.327 8.062 497 HA GLU 72 HA GLU 72 -4.008 -3.551 9.023 498 HB2 GLU 72 HB2 GLU 72 -6.938 -3.306 8.322 499 HB3 GLU 72 HB3 GLU 72 -6.230 -4.723 9.106 500 HG2 GLU 72 HG2 GLU 72 -6.060 -1.915 10.241 501 HG3 GLU 72 HG3 GLU 72 -7.329 -3.061 10.645 502 H SER 73 H SER 73 -5.420 -3.131 5.716 503 HA SER 73 HA SER 73 -4.743 -5.822 4.943 504 HB2 SER 73 HB2 SER 73 -5.323 -3.336 3.324 505 HB3 SER 73 HB3 SER 73 -4.939 -4.899 2.593 506 HG SER 73 HG SER 73 -6.984 -4.664 4.562 507 H MET 74 H MET 74 -2.814 -2.720 4.491 508 HA MET 74 HA MET 74 -0.643 -4.198 3.349 509 HB2 MET 74 HB2 MET 74 0.663 -2.263 3.489 510 HB3 MET 74 HB3 MET 74 -0.972 -1.759 3.055 511 HG2 MET 74 HG2 MET 74 -1.363 -1.058 5.390 512 HG3 MET 74 HG3 MET 74 0.215 -1.646 5.883 513 HE1 MET 74 HE1 MET 74 2.294 -0.626 3.742 514 HE2 MET 74 HE2 MET 74 2.714 0.923 4.493 515 HE3 MET 74 HE3 MET 74 2.454 -0.505 5.513 516 H ARG 75 H ARG 75 -1.426 -3.570 6.760 517 HA ARG 75 HA ARG 75 0.917 -4.854 7.797 518 HB2 ARG 75 HB2 ARG 75 -1.839 -4.432 8.990 519 HB3 ARG 75 HB3 ARG 75 -0.501 -5.210 9.849 520 HG2 ARG 75 HG2 ARG 75 0.916 -3.193 9.521 521 HG3 ARG 75 HG3 ARG 75 -0.405 -2.396 8.675 522 HD2 ARG 75 HD2 ARG 75 -0.499 -1.539 10.853 523 HD3 ARG 75 HD3 ARG 75 -1.811 -2.716 10.794 524 HE ARG 75 HE ARG 75 0.821 -2.960 12.179 525 HH11 ARG 75 HH11 ARG 75 -2.422 -4.377 11.685 526 HH12 ARG 75 HH12 ARG 75 -2.249 -5.466 13.044 527 HH21 ARG 75 HH21 ARG 75 0.980 -4.372 13.914 528 HH22 ARG 75 HH22 ARG 75 -0.335 -5.457 14.305 529 H ALA 76 H ALA 76 -2.269 -6.233 6.815 530 HA ALA 76 HA ALA 76 -1.672 -8.926 7.456 531 HB1 ALA 76 HB1 ALA 76 -3.359 -7.902 5.133 532 HB2 ALA 76 HB2 ALA 76 -3.424 -9.506 5.878 533 HB3 ALA 76 HB3 ALA 76 -3.923 -8.079 6.802 534 H LEU 77 H LEU 77 -1.075 -7.215 4.295 535 HA LEU 77 HA LEU 77 0.510 -9.155 3.055 536 HB2 LEU 77 HB2 LEU 77 -0.108 -7.034 2.000 537 HB3 LEU 77 HB3 LEU 77 0.848 -6.139 3.157 538 HG LEU 77 HG LEU 77 2.736 -7.924 2.036 539 HD11 LEU 77 HD11 LEU 77 1.199 -8.552 0.268 540 HD12 LEU 77 HD12 LEU 77 2.527 -7.575 -0.381 541 HD13 LEU 77 HD13 LEU 77 0.916 -6.854 -0.143 542 HD21 LEU 77 HD21 LEU 77 3.185 -5.624 2.647 543 HD22 LEU 77 HD22 LEU 77 2.133 -5.029 1.353 544 HD23 LEU 77 HD23 LEU 77 3.634 -5.899 0.957 545 H GLY 78 H GLY 78 1.719 -6.649 5.389 546 HA2 GLY 78 HA2 GLY 78 4.350 -7.546 5.685 547 HA3 GLY 78 HA3 GLY 78 3.396 -6.777 6.959 548 H PHE 79 H PHE 79 1.468 -8.887 7.368 549 HA PHE 79 HA PHE 79 3.034 -10.795 8.914 550 HB2 PHE 79 HB2 PHE 79 0.050 -10.477 8.450 551 HB3 PHE 79 HB3 PHE 79 0.746 -11.713 9.482 552 HD1 PHE 79 HD1 PHE 79 2.668 -10.667 11.192 553 HD2 PHE 79 HD2 PHE 79 -0.873 -8.699 9.701 554 HE1 PHE 79 HE1 PHE 79 2.656 -9.175 13.168 555 HE2 PHE 79 HE2 PHE 79 -0.878 -7.213 11.679 556 HZ PHE 79 HZ PHE 79 0.893 -7.450 13.420 557 H LYS 80 H LYS 80 1.614 -10.974 5.714 558 HA LYS 80 HA LYS 80 1.887 -13.946 5.687 559 HB2 LYS 80 HB2 LYS 80 0.542 -12.006 3.776 560 HB3 LYS 80 HB3 LYS 80 0.618 -13.741 3.520 561 HG2 LYS 80 HG2 LYS 80 -0.752 -12.373 5.882 562 HG3 LYS 80 HG3 LYS 80 -1.551 -12.973 4.443 563 HD2 LYS 80 HD2 LYS 80 -0.092 -14.668 6.507 564 HD3 LYS 80 HD3 LYS 80 -1.838 -14.478 6.346 565 HE2 LYS 80 HE2 LYS 80 -1.736 -15.458 4.053 566 HE3 LYS 80 HE3 LYS 80 0.003 -15.718 4.255 567 HZ1 LYS 80 HZ1 LYS 80 -0.517 -17.113 6.183 568 HZ2 LYS 80 HZ2 LYS 80 -1.164 -17.726 4.805 569 HZ3 LYS 80 HZ3 LYS 80 -2.143 -16.965 5.883 570 H ILE 81 H ILE 81 3.462 -11.183 4.217 571 HA ILE 81 HA ILE 81 4.523 -12.565 1.973 572 HB ILE 81 HB ILE 81 4.123 -10.127 2.126 573 HG12 ILE 81 HG12 ILE 81 6.067 -9.392 0.798 574 HG13 ILE 81 HG13 ILE 81 6.925 -10.879 1.194 575 HG21 ILE 81 HG21 ILE 81 6.811 -9.953 3.551 576 HG22 ILE 81 HG22 ILE 81 5.725 -8.625 3.109 577 HG23 ILE 81 HG23 ILE 81 5.244 -9.771 4.366 578 HD11 ILE 81 HD11 ILE 81 5.859 -10.890 -1.067 579 HD12 ILE 81 HD12 ILE 81 5.270 -12.204 -0.045 580 HD13 ILE 81 HD13 ILE 81 4.264 -10.755 -0.303 Start of MODEL 19 1 H ASN 1 H ASN 1 -8.181 7.813 -18.789 2 HA ASN 1 HA ASN 1 -6.221 7.008 -17.745 3 HB2 ASN 1 HB2 ASN 1 -5.292 9.256 -17.211 4 HB3 ASN 1 HB3 ASN 1 -6.440 9.426 -15.905 5 HD21 ASN 1 HD21 ASN 1 -3.853 9.682 -15.188 6 HD22 ASN 1 HD22 ASN 1 -3.225 8.214 -14.455 7 H GLY 2 H GLY 2 -8.594 8.678 -15.575 8 HA2 GLY 2 HA2 GLY 2 -10.257 7.731 -14.266 9 HA3 GLY 2 HA3 GLY 2 -9.915 6.139 -14.941 10 H ASN 3 H ASN 3 -7.287 7.976 -13.480 11 HA ASN 3 HA ASN 3 -6.578 6.057 -11.592 12 HB2 ASN 3 HB2 ASN 3 -5.410 8.214 -12.503 13 HB3 ASN 3 HB3 ASN 3 -6.002 8.924 -10.997 14 HD21 ASN 3 HD21 ASN 3 -3.348 8.686 -11.533 15 HD22 ASN 3 HD22 ASN 3 -2.599 7.309 -10.731 16 H ILE 4 H ILE 4 -6.611 6.141 -9.220 17 HA ILE 4 HA ILE 4 -8.793 6.913 -7.603 18 HB ILE 4 HB ILE 4 -5.779 6.831 -7.202 19 HG12 ILE 4 HG12 ILE 4 -6.225 4.998 -5.557 20 HG13 ILE 4 HG13 ILE 4 -7.895 4.969 -6.035 21 HG21 ILE 4 HG21 ILE 4 -6.116 6.981 -4.765 22 HG22 ILE 4 HG22 ILE 4 -6.366 8.436 -5.637 23 HG23 ILE 4 HG23 ILE 4 -7.788 7.498 -5.044 24 HD11 ILE 4 HD11 ILE 4 -7.082 4.281 -8.355 25 HD12 ILE 4 HD12 ILE 4 -5.400 4.474 -7.762 26 HD13 ILE 4 HD13 ILE 4 -6.447 3.215 -7.085 27 H ASN 5 H ASN 5 -9.535 8.956 -6.696 28 HA ASN 5 HA ASN 5 -7.885 11.355 -7.117 29 HB2 ASN 5 HB2 ASN 5 -10.351 11.440 -6.960 30 HB3 ASN 5 HB3 ASN 5 -10.269 10.901 -5.282 31 HD21 ASN 5 HD21 ASN 5 -9.816 13.647 -7.411 32 HD22 ASN 5 HD22 ASN 5 -9.307 14.766 -6.110 33 H TRP 6 H TRP 6 -6.029 11.650 -6.051 34 HA TRP 6 HA TRP 6 -5.404 9.954 -3.758 35 HB2 TRP 6 HB2 TRP 6 -3.701 11.901 -5.332 36 HB3 TRP 6 HB3 TRP 6 -3.101 10.787 -4.132 37 HD1 TRP 6 HD1 TRP 6 -3.433 11.093 -7.666 38 HE1 TRP 6 HE1 TRP 6 -3.106 8.858 -8.917 39 HE3 TRP 6 HE3 TRP 6 -3.849 7.922 -3.710 40 HZ2 TRP 6 HZ2 TRP 6 -2.635 6.093 -8.154 41 HZ3 TRP 6 HZ3 TRP 6 -3.505 5.466 -4.014 42 HH2 TRP 6 HH2 TRP 6 -3.055 4.539 -6.250 43 H ASN 7 H ASN 7 -7.175 12.507 -3.461 44 HA ASN 7 HA ASN 7 -5.686 13.694 -1.162 45 HB2 ASN 7 HB2 ASN 7 -5.304 14.957 -3.286 46 HB3 ASN 7 HB3 ASN 7 -7.041 15.275 -3.371 47 HD21 ASN 7 HD21 ASN 7 -4.068 15.802 -1.440 48 HD22 ASN 7 HD22 ASN 7 -4.729 17.153 -0.527 49 H SER 8 H SER 8 -8.918 13.673 -2.733 50 HA SER 8 HA SER 8 -10.190 14.795 -0.383 51 HB2 SER 8 HB2 SER 8 -11.462 13.666 -2.894 52 HB3 SER 8 HB3 SER 8 -12.248 14.671 -1.664 53 HG SER 8 HG SER 8 -10.494 16.243 -2.128 54 HA PRO 9 HA PRO 9 -11.672 10.495 0.847 55 HB2 PRO 9 HB2 PRO 9 -10.674 8.232 -0.243 56 HB3 PRO 9 HB3 PRO 9 -12.037 9.111 -0.995 57 HG2 PRO 9 HG2 PRO 9 -9.091 9.302 -1.706 58 HG3 PRO 9 HG3 PRO 9 -10.471 9.009 -2.815 59 HD2 PRO 9 HD2 PRO 9 -9.370 11.457 -2.404 60 HD3 PRO 9 HD3 PRO 9 -11.120 11.267 -2.713 61 H CYS 10 H CYS 10 -10.367 8.690 2.201 62 HA CYS 10 HA CYS 10 -8.260 10.103 3.465 63 HB2 CYS 10 HB2 CYS 10 -8.633 7.166 3.912 64 HB3 CYS 10 HB3 CYS 10 -8.066 8.410 5.003 65 H LEU 11 H LEU 11 -7.858 8.286 0.570 66 HA LEU 11 HA LEU 11 -5.127 7.628 0.888 67 HB2 LEU 11 HB2 LEU 11 -6.430 8.656 -1.667 68 HB3 LEU 11 HB3 LEU 11 -4.878 7.865 -1.510 69 HG LEU 11 HG LEU 11 -6.391 5.914 -0.386 70 HD11 LEU 11 HD11 LEU 11 -8.476 7.170 -0.694 71 HD12 LEU 11 HD12 LEU 11 -8.453 5.691 -1.679 72 HD13 LEU 11 HD13 LEU 11 -8.121 7.268 -2.446 73 HD21 LEU 11 HD21 LEU 11 -6.693 5.604 -3.251 74 HD22 LEU 11 HD22 LEU 11 -5.833 4.654 -2.056 75 HD23 LEU 11 HD23 LEU 11 -5.052 6.069 -2.753 76 H GLY 12 H GLY 12 -6.563 10.806 0.852 77 HA2 GLY 12 HA2 GLY 12 -4.505 12.536 0.153 78 HA3 GLY 12 HA3 GLY 12 -5.586 12.795 1.525 79 H GLY 13 H GLY 13 -4.847 11.082 3.423 80 HA2 GLY 13 HA2 GLY 13 -2.250 11.860 4.361 81 HA3 GLY 13 HA3 GLY 13 -3.303 10.630 5.061 82 H MET 14 H MET 14 -3.092 9.259 2.225 83 HA MET 14 HA MET 14 -0.843 7.536 3.102 84 HB2 MET 14 HB2 MET 14 -3.359 6.832 2.729 85 HB3 MET 14 HB3 MET 14 -2.864 6.761 1.061 86 HG2 MET 14 HG2 MET 14 -2.633 4.617 1.940 87 HG3 MET 14 HG3 MET 14 -0.982 5.189 1.780 88 HE1 MET 14 HE1 MET 14 0.171 6.391 4.474 89 HE2 MET 14 HE2 MET 14 0.413 4.860 5.323 90 HE3 MET 14 HE3 MET 14 0.703 4.952 3.578 91 H ALA 15 H ALA 15 -1.921 9.262 0.219 92 HA ALA 15 HA ALA 15 0.088 7.887 -1.434 93 HB1 ALA 15 HB1 ALA 15 -1.294 8.182 -3.200 94 HB2 ALA 15 HB2 ALA 15 -2.515 8.243 -1.910 95 HB3 ALA 15 HB3 ALA 15 -1.939 9.745 -2.628 96 H SER 16 H SER 16 0.964 9.955 0.396 97 HA SER 16 HA SER 16 2.652 11.510 -1.530 98 HB2 SER 16 HB2 SER 16 1.116 12.605 0.860 99 HB3 SER 16 HB3 SER 16 2.457 13.455 0.076 100 HG SER 16 HG SER 16 -0.069 12.797 -0.998 101 H GLY 17 H GLY 17 4.284 12.770 0.308 102 HA2 GLY 17 HA2 GLY 17 6.042 12.385 1.842 103 HA3 GLY 17 HA3 GLY 17 5.432 10.774 2.128 104 HA PRO 18 HA PRO 18 9.541 10.139 -0.268 105 HB2 PRO 18 HB2 PRO 18 9.807 7.876 1.348 106 HB3 PRO 18 HB3 PRO 18 10.583 9.455 1.609 107 HG2 PRO 18 HG2 PRO 18 7.973 8.523 2.874 108 HG3 PRO 18 HG3 PRO 18 9.422 9.250 3.655 109 HD2 PRO 18 HD2 PRO 18 7.389 10.755 3.067 110 HD3 PRO 18 HD3 PRO 18 8.993 11.338 2.574 111 H CYS 19 H CYS 19 7.024 7.914 1.021 112 HA CYS 19 HA CYS 19 7.526 6.073 -1.235 113 HB2 CYS 19 HB2 CYS 19 5.919 5.637 1.262 114 HB3 CYS 19 HB3 CYS 19 6.456 4.403 0.146 115 H GLY 20 H GLY 20 5.705 8.585 -1.436 116 HA2 GLY 20 HA2 GLY 20 2.979 7.878 -1.408 117 HA3 GLY 20 HA3 GLY 20 3.693 9.149 -2.422 118 H GLU 21 H GLU 21 5.281 7.786 -4.065 119 HA GLU 21 HA GLU 21 3.699 6.768 -6.195 120 HB2 GLU 21 HB2 GLU 21 5.825 6.397 -7.174 121 HB3 GLU 21 HB3 GLU 21 5.985 7.845 -6.215 122 HG2 GLU 21 HG2 GLU 21 6.904 5.997 -4.428 123 HG3 GLU 21 HG3 GLU 21 7.195 5.097 -5.889 124 H GLN 22 H GLN 22 5.275 4.953 -3.513 125 HA GLN 22 HA GLN 22 4.791 2.392 -4.687 126 HB2 GLN 22 HB2 GLN 22 4.809 2.799 -1.688 127 HB3 GLN 22 HB3 GLN 22 5.335 1.432 -2.647 128 HG2 GLN 22 HG2 GLN 22 6.731 4.089 -2.299 129 HG3 GLN 22 HG3 GLN 22 7.170 2.563 -1.579 130 HE21 GLN 22 HE21 GLN 22 8.845 4.317 -3.084 131 HE22 GLN 22 HE22 GLN 22 9.205 3.551 -4.632 132 H PHE 23 H PHE 23 2.799 4.493 -2.501 133 HA PHE 23 HA PHE 23 0.605 2.663 -2.516 134 HB2 PHE 23 HB2 PHE 23 0.962 4.709 -0.918 135 HB3 PHE 23 HB3 PHE 23 0.268 5.660 -2.209 136 HD1 PHE 23 HD1 PHE 23 -0.541 2.238 -0.817 137 HD2 PHE 23 HD2 PHE 23 -2.037 6.189 -1.709 138 HE1 PHE 23 HE1 PHE 23 -2.769 1.586 0.011 139 HE2 PHE 23 HE2 PHE 23 -4.122 5.611 -0.579 140 HZ PHE 23 HZ PHE 23 -4.601 3.258 0.061 141 H LYS 24 H LYS 24 1.338 5.463 -4.648 142 HA LYS 24 HA LYS 24 -0.926 5.346 -6.263 143 HB2 LYS 24 HB2 LYS 24 1.813 5.779 -7.389 144 HB3 LYS 24 HB3 LYS 24 0.362 6.353 -8.036 145 HG2 LYS 24 HG2 LYS 24 1.573 7.382 -5.469 146 HG3 LYS 24 HG3 LYS 24 1.572 8.158 -7.052 147 HD2 LYS 24 HD2 LYS 24 -0.887 8.199 -6.967 148 HD3 LYS 24 HD3 LYS 24 -0.874 7.507 -5.370 149 HE2 LYS 24 HE2 LYS 24 -1.198 9.903 -5.195 150 HE3 LYS 24 HE3 LYS 24 0.406 9.501 -4.564 151 HZ1 LYS 24 HZ1 LYS 24 0.293 11.488 -6.069 152 HZ2 LYS 24 HZ2 LYS 24 0.016 10.469 -7.338 153 HZ3 LYS 24 HZ3 LYS 24 1.416 10.377 -6.475 154 H SER 25 H SER 25 2.040 3.597 -6.710 155 HA SER 25 HA SER 25 1.307 1.917 -8.822 156 HB2 SER 25 HB2 SER 25 3.539 2.435 -8.066 157 HB3 SER 25 HB3 SER 25 3.339 1.572 -6.559 158 HG SER 25 HG SER 25 4.417 0.283 -8.028 159 H ALA 26 H ALA 26 1.091 1.204 -5.305 160 HA ALA 26 HA ALA 26 0.011 -1.424 -5.609 161 HB1 ALA 26 HB1 ALA 26 -0.418 -1.257 -3.192 162 HB2 ALA 26 HB2 ALA 26 1.192 -0.628 -3.585 163 HB3 ALA 26 HB3 ALA 26 -0.139 0.494 -3.245 164 H PHE 27 H PHE 27 -1.804 1.560 -4.594 165 HA PHE 27 HA PHE 27 -4.262 0.132 -4.769 166 HB2 PHE 27 HB2 PHE 27 -3.443 2.678 -3.772 167 HB3 PHE 27 HB3 PHE 27 -4.783 2.949 -4.872 168 HD1 PHE 27 HD1 PHE 27 -3.844 0.327 -2.328 169 HD2 PHE 27 HD2 PHE 27 -6.867 3.042 -3.757 170 HE1 PHE 27 HE1 PHE 27 -5.404 -0.472 -0.550 171 HE2 PHE 27 HE2 PHE 27 -8.377 2.334 -1.845 172 HZ PHE 27 HZ PHE 27 -7.668 0.513 -0.359 173 H SER 28 H SER 28 -2.699 2.250 -7.285 174 HA SER 28 HA SER 28 -4.868 1.863 -9.084 175 HB2 SER 28 HB2 SER 28 -3.434 2.450 -10.837 176 HB3 SER 28 HB3 SER 28 -3.146 3.508 -9.437 177 HG SER 28 HG SER 28 -1.246 2.570 -9.091 178 H CYS 29 H CYS 29 -1.870 -0.234 -8.689 179 HA CYS 29 HA CYS 29 -2.657 -2.162 -10.542 180 HB2 CYS 29 HB2 CYS 29 -0.489 -2.021 -9.309 181 HB3 CYS 29 HB3 CYS 29 -1.229 -2.778 -7.920 182 H PHE 30 H PHE 30 -3.642 -2.095 -7.066 183 HA PHE 30 HA PHE 30 -5.472 -4.227 -7.115 184 HB2 PHE 30 HB2 PHE 30 -5.030 -3.401 -5.006 185 HB3 PHE 30 HB3 PHE 30 -5.176 -1.729 -5.507 186 HD1 PHE 30 HD1 PHE 30 -7.681 -4.569 -5.752 187 HD2 PHE 30 HD2 PHE 30 -6.723 -0.699 -4.096 188 HE1 PHE 30 HE1 PHE 30 -10.014 -4.321 -4.968 189 HE2 PHE 30 HE2 PHE 30 -9.059 -0.453 -3.330 190 HZ PHE 30 HZ PHE 30 -10.720 -2.251 -3.788 191 H HIS 31 H HIS 31 -6.267 -0.775 -7.931 192 HA HIS 31 HA HIS 31 -8.976 -1.279 -8.619 193 HB2 HIS 31 HB2 HIS 31 -6.978 0.893 -9.200 194 HB3 HIS 31 HB3 HIS 31 -8.395 0.809 -10.232 195 HD1 HIS 31 HD1 HIS 31 -9.807 2.787 -9.386 196 HD2 HIS 31 HD2 HIS 31 -8.419 0.199 -6.362 197 HE1 HIS 31 HE1 HIS 31 -10.974 3.501 -7.220 198 H TYR 32 H TYR 32 -6.081 -1.673 -10.673 199 HA TYR 32 HA TYR 32 -7.713 -2.548 -12.943 200 HB2 TYR 32 HB2 TYR 32 -4.745 -2.395 -12.420 201 HB3 TYR 32 HB3 TYR 32 -5.412 -3.174 -13.842 202 HD1 TYR 32 HD1 TYR 32 -5.847 0.128 -12.034 203 HD2 TYR 32 HD2 TYR 32 -5.449 -1.927 -15.796 204 HE1 TYR 32 HE1 TYR 32 -5.696 2.288 -13.160 205 HE2 TYR 32 HE2 TYR 32 -5.349 0.279 -16.964 206 HH TYR 32 HH TYR 32 -5.593 3.366 -15.181 207 H SER 33 H SER 33 -6.648 -4.127 -10.126 208 HA SER 33 HA SER 33 -6.503 -6.849 -11.246 209 HB2 SER 33 HB2 SER 33 -4.989 -6.162 -9.439 210 HB3 SER 33 HB3 SER 33 -6.373 -5.916 -8.370 211 HG SER 33 HG SER 33 -5.150 -8.239 -9.284 212 H THR 34 H THR 34 -8.411 -5.597 -8.511 213 HA THR 34 HA THR 34 -10.467 -6.110 -7.689 214 HB THR 34 HB THR 34 -12.407 -6.060 -9.190 215 HG1 THR 34 HG1 THR 34 -10.487 -6.643 -11.028 216 HG21 THR 34 HG21 THR 34 -11.380 -3.948 -8.449 217 HG22 THR 34 HG22 THR 34 -12.031 -3.806 -10.094 218 HG23 THR 34 HG23 THR 34 -10.288 -3.971 -9.849 219 H GLU 35 H GLU 35 -8.745 -8.285 -7.841 220 HA GLU 35 HA GLU 35 -10.149 -10.661 -8.719 221 HB2 GLU 35 HB2 GLU 35 -7.604 -10.102 -7.206 222 HB3 GLU 35 HB3 GLU 35 -8.229 -11.737 -7.252 223 HG2 GLU 35 HG2 GLU 35 -7.553 -10.022 -9.685 224 HG3 GLU 35 HG3 GLU 35 -6.544 -11.311 -9.024 225 H GLU 36 H GLU 36 -9.118 -9.997 -5.393 226 HA GLU 36 HA GLU 36 -11.643 -10.797 -4.159 227 HB2 GLU 36 HB2 GLU 36 -10.833 -12.998 -4.981 228 HB3 GLU 36 HB3 GLU 36 -9.288 -12.739 -4.197 229 HG2 GLU 36 HG2 GLU 36 -10.439 -12.788 -1.975 230 HG3 GLU 36 HG3 GLU 36 -11.979 -13.056 -2.808 231 H ILE 37 H ILE 37 -8.169 -11.127 -3.472 232 HA ILE 37 HA ILE 37 -8.262 -9.489 -1.021 233 HB ILE 37 HB ILE 37 -6.303 -11.251 -2.439 234 HG12 ILE 37 HG12 ILE 37 -5.675 -11.857 -0.151 235 HG13 ILE 37 HG13 ILE 37 -6.700 -10.558 0.465 236 HG21 ILE 37 HG21 ILE 37 -4.302 -10.395 -1.398 237 HG22 ILE 37 HG22 ILE 37 -4.945 -9.209 -2.523 238 HG23 ILE 37 HG23 ILE 37 -5.175 -8.986 -0.768 239 HD11 ILE 37 HD11 ILE 37 -7.709 -12.844 0.638 240 HD12 ILE 37 HD12 ILE 37 -8.715 -11.730 -0.302 241 HD13 ILE 37 HD13 ILE 37 -7.718 -12.952 -1.131 242 H LYS 38 H LYS 38 -7.114 -7.404 -0.833 243 HA LYS 38 HA LYS 38 -7.498 -5.603 -2.967 244 HB2 LYS 38 HB2 LYS 38 -5.605 -5.471 -0.577 245 HB3 LYS 38 HB3 LYS 38 -5.856 -4.115 -1.673 246 HG2 LYS 38 HG2 LYS 38 -8.070 -5.427 -0.054 247 HG3 LYS 38 HG3 LYS 38 -7.149 -3.988 0.428 248 HD2 LYS 38 HD2 LYS 38 -7.989 -2.723 -1.456 249 HD3 LYS 38 HD3 LYS 38 -8.831 -4.137 -2.124 250 HE2 LYS 38 HE2 LYS 38 -9.367 -3.251 0.687 251 HE3 LYS 38 HE3 LYS 38 -10.135 -2.361 -0.634 252 HZ1 LYS 38 HZ1 LYS 38 -11.347 -4.400 0.390 253 HZ2 LYS 38 HZ2 LYS 38 -10.397 -5.301 -0.590 254 HZ3 LYS 38 HZ3 LYS 38 -11.401 -4.148 -1.221 255 H GLY 39 H GLY 39 -6.691 -6.267 -4.922 256 HA2 GLY 39 HA2 GLY 39 -5.184 -6.787 -6.568 257 HA3 GLY 39 HA3 GLY 39 -3.956 -5.968 -5.593 258 H SER 40 H SER 40 -5.825 -9.067 -5.230 259 HA SER 40 HA SER 40 -3.993 -10.783 -4.101 260 HB2 SER 40 HB2 SER 40 -5.612 -11.443 -6.575 261 HB3 SER 40 HB3 SER 40 -4.994 -12.606 -5.398 262 HG SER 40 HG SER 40 -6.743 -12.325 -4.369 263 H ASP 41 H ASP 41 -3.897 -9.821 -7.517 264 HA ASP 41 HA ASP 41 -1.333 -11.264 -7.918 265 HB2 ASP 41 HB2 ASP 41 -1.792 -11.176 -10.266 266 HB3 ASP 41 HB3 ASP 41 -3.134 -11.882 -9.384 267 H CYS 42 H CYS 42 -1.499 -8.723 -6.529 268 HA CYS 42 HA CYS 42 0.321 -6.958 -8.121 269 HB2 CYS 42 HB2 CYS 42 -2.259 -6.278 -6.715 270 HB3 CYS 42 HB3 CYS 42 -1.053 -5.048 -6.999 271 H VAL 43 H VAL 43 0.273 -8.822 -5.478 272 HA VAL 43 HA VAL 43 0.440 -7.033 -3.316 273 HB VAL 43 HB VAL 43 0.930 -8.778 -1.925 274 HG11 VAL 43 HG11 VAL 43 -0.612 -10.099 -4.161 275 HG12 VAL 43 HG12 VAL 43 -0.684 -10.453 -2.426 276 HG13 VAL 43 HG13 VAL 43 -1.273 -8.897 -3.025 277 HG21 VAL 43 HG21 VAL 43 1.994 -10.401 -4.265 278 HG22 VAL 43 HG22 VAL 43 2.925 -9.776 -2.873 279 HG23 VAL 43 HG23 VAL 43 1.712 -11.032 -2.628 280 H ASP 44 H ASP 44 3.069 -8.038 -5.456 281 HA ASP 44 HA ASP 44 5.248 -7.228 -3.867 282 HB2 ASP 44 HB2 ASP 44 5.415 -8.471 -5.981 283 HB3 ASP 44 HB3 ASP 44 4.937 -7.021 -6.876 284 H GLN 45 H GLN 45 2.936 -5.140 -5.590 285 HA GLN 45 HA GLN 45 4.443 -2.702 -5.204 286 HB2 GLN 45 HB2 GLN 45 1.524 -3.249 -5.797 287 HB3 GLN 45 HB3 GLN 45 2.230 -1.647 -5.600 288 HG2 GLN 45 HG2 GLN 45 2.100 -2.100 -7.918 289 HG3 GLN 45 HG3 GLN 45 3.774 -1.986 -7.422 290 HE21 GLN 45 HE21 GLN 45 1.464 -4.804 -7.509 291 HE22 GLN 45 HE22 GLN 45 2.445 -5.682 -8.677 292 H PHE 46 H PHE 46 1.856 -4.277 -3.223 293 HA PHE 46 HA PHE 46 1.953 -2.338 -1.077 294 HB2 PHE 46 HB2 PHE 46 1.182 -5.270 -1.103 295 HB3 PHE 46 HB3 PHE 46 0.885 -4.175 0.234 296 HD1 PHE 46 HD1 PHE 46 -0.064 -4.788 -3.359 297 HD2 PHE 46 HD2 PHE 46 -1.057 -2.769 0.327 298 HE1 PHE 46 HE1 PHE 46 -2.219 -4.053 -4.330 299 HE2 PHE 46 HE2 PHE 46 -3.200 -2.033 -0.663 300 HZ PHE 46 HZ PHE 46 -3.781 -2.665 -2.994 301 H ARG 47 H ARG 47 3.668 -5.399 -1.673 302 HA ARG 47 HA ARG 47 5.367 -5.459 0.490 303 HB2 ARG 47 HB2 ARG 47 5.205 -7.122 -1.473 304 HB3 ARG 47 HB3 ARG 47 6.473 -6.130 -2.231 305 HG2 ARG 47 HG2 ARG 47 7.840 -6.419 -0.107 306 HG3 ARG 47 HG3 ARG 47 6.575 -7.497 0.492 307 HD2 ARG 47 HD2 ARG 47 8.276 -8.907 -0.390 308 HD3 ARG 47 HD3 ARG 47 6.953 -8.945 -1.560 309 HE ARG 47 HE ARG 47 8.272 -7.903 -3.127 310 HH11 ARG 47 HH11 ARG 47 9.961 -7.685 0.011 311 HH12 ARG 47 HH12 ARG 47 11.443 -7.103 -0.716 312 HH21 ARG 47 HH21 ARG 47 10.204 -7.148 -4.015 313 HH22 ARG 47 HH22 ARG 47 11.580 -6.805 -2.989 314 H ALA 48 H ALA 48 5.939 -3.648 -2.539 315 HA ALA 48 HA ALA 48 8.287 -2.283 -1.733 316 HB1 ALA 48 HB1 ALA 48 6.104 -1.453 -3.666 317 HB2 ALA 48 HB2 ALA 48 7.697 -0.694 -3.517 318 HB3 ALA 48 HB3 ALA 48 7.569 -2.389 -4.033 319 H MET 49 H MET 49 4.835 -1.285 -1.340 320 HA MET 49 HA MET 49 5.278 1.149 -0.070 321 HB2 MET 49 HB2 MET 49 3.075 0.247 -0.803 322 HB3 MET 49 HB3 MET 49 3.075 -0.826 0.600 323 HG2 MET 49 HG2 MET 49 3.164 1.146 2.102 324 HG3 MET 49 HG3 MET 49 3.077 2.202 0.679 325 HE1 MET 49 HE1 MET 49 0.877 3.426 1.650 326 HE2 MET 49 HE2 MET 49 -0.512 2.530 2.298 327 HE3 MET 49 HE3 MET 49 1.067 2.419 3.108 328 H GLN 50 H GLN 50 4.883 -1.987 1.790 329 HA GLN 50 HA GLN 50 5.828 -0.685 4.115 330 HB2 GLN 50 HB2 GLN 50 5.952 -2.708 5.227 331 HB3 GLN 50 HB3 GLN 50 4.482 -2.667 4.274 332 HG2 GLN 50 HG2 GLN 50 5.175 -4.405 2.865 333 HG3 GLN 50 HG3 GLN 50 6.893 -4.157 3.209 334 HE21 GLN 50 HE21 GLN 50 3.850 -4.981 5.029 335 HE22 GLN 50 HE22 GLN 50 4.730 -5.952 6.219 336 H GLU 51 H GLU 51 7.705 -2.513 1.761 337 HA GLU 51 HA GLU 51 10.291 -2.522 2.953 338 HB2 GLU 51 HB2 GLU 51 9.556 -3.721 0.889 339 HB3 GLU 51 HB3 GLU 51 9.273 -2.184 0.110 340 HG2 GLU 51 HG2 GLU 51 11.100 -2.677 -0.942 341 HG3 GLU 51 HG3 GLU 51 11.872 -1.833 0.354 342 H CYS 52 H CYS 52 8.599 0.108 1.296 343 HA CYS 52 HA CYS 52 10.888 1.949 1.542 344 HB2 CYS 52 HB2 CYS 52 9.368 1.899 -0.398 345 HB3 CYS 52 HB3 CYS 52 8.030 2.229 0.607 346 H MET 53 H MET 53 7.739 1.401 3.205 347 HA MET 53 HA MET 53 7.974 3.875 4.673 348 HB2 MET 53 HB2 MET 53 5.968 1.602 4.697 349 HB3 MET 53 HB3 MET 53 5.895 2.896 5.890 350 HG2 MET 53 HG2 MET 53 5.911 4.591 4.078 351 HG3 MET 53 HG3 MET 53 5.913 3.302 2.877 352 HE1 MET 53 HE1 MET 53 2.453 4.970 2.392 353 HE2 MET 53 HE2 MET 53 3.979 5.749 2.839 354 HE3 MET 53 HE3 MET 53 3.961 4.437 1.632 355 H GLN 54 H GLN 54 8.956 0.680 5.278 356 HA GLN 54 HA GLN 54 9.667 0.812 8.013 357 HB2 GLN 54 HB2 GLN 54 10.910 -1.180 7.462 358 HB3 GLN 54 HB3 GLN 54 9.466 -1.161 6.539 359 HG2 GLN 54 HG2 GLN 54 11.018 -1.899 5.019 360 HG3 GLN 54 HG3 GLN 54 10.876 -0.182 4.639 361 HE21 GLN 54 HE21 GLN 54 12.884 -0.493 3.543 362 HE22 GLN 54 HE22 GLN 54 14.405 -0.486 4.450 363 H LYS 55 H LYS 55 11.225 2.383 5.253 364 HA LYS 55 HA LYS 55 13.539 3.280 6.790 365 HB2 LYS 55 HB2 LYS 55 12.338 4.536 4.297 366 HB3 LYS 55 HB3 LYS 55 13.924 4.852 4.995 367 HG2 LYS 55 HG2 LYS 55 14.618 2.516 4.493 368 HG3 LYS 55 HG3 LYS 55 13.014 2.197 3.815 369 HD2 LYS 55 HD2 LYS 55 14.495 2.601 1.985 370 HD3 LYS 55 HD3 LYS 55 13.386 3.974 2.103 371 HE2 LYS 55 HE2 LYS 55 15.183 5.269 3.291 372 HE3 LYS 55 HE3 LYS 55 16.269 3.891 3.124 373 HZ1 LYS 55 HZ1 LYS 55 16.116 4.120 0.714 374 HZ2 LYS 55 HZ2 LYS 55 16.630 5.513 1.357 375 HZ3 LYS 55 HZ3 LYS 55 15.071 5.382 0.841 376 H TYR 56 H TYR 56 10.446 4.859 5.899 377 HA TYR 56 HA TYR 56 11.209 7.131 7.698 378 HB2 TYR 56 HB2 TYR 56 9.327 7.613 5.473 379 HB3 TYR 56 HB3 TYR 56 10.460 8.503 6.277 380 HD1 TYR 56 HD1 TYR 56 12.905 7.840 6.490 381 HD2 TYR 56 HD2 TYR 56 10.269 6.769 3.260 382 HE1 TYR 56 HE1 TYR 56 14.782 7.970 4.951 383 HE2 TYR 56 HE2 TYR 56 12.165 6.917 1.651 384 HH TYR 56 HH TYR 56 15.469 7.859 2.704 385 HA PRO 57 HA PRO 57 7.838 5.038 9.827 386 HB2 PRO 57 HB2 PRO 57 7.963 6.397 12.255 387 HB3 PRO 57 HB3 PRO 57 9.069 5.089 11.745 388 HG2 PRO 57 HG2 PRO 57 9.512 8.089 11.536 389 HG3 PRO 57 HG3 PRO 57 10.678 6.840 12.094 390 HD2 PRO 57 HD2 PRO 57 10.862 7.756 9.626 391 HD3 PRO 57 HD3 PRO 57 11.049 6.011 9.972 392 H ASP 58 H ASP 58 7.843 8.593 9.707 393 HA ASP 58 HA ASP 58 4.905 8.757 9.580 394 HB2 ASP 58 HB2 ASP 58 6.469 8.994 12.077 395 HB3 ASP 58 HB3 ASP 58 5.481 10.404 11.810 396 H LEU 59 H LEU 59 7.560 9.837 8.247 397 HA LEU 59 HA LEU 59 7.986 12.272 9.761 398 HB2 LEU 59 HB2 LEU 59 10.196 12.169 8.706 399 HB3 LEU 59 HB3 LEU 59 9.733 10.661 9.385 400 HG LEU 59 HG LEU 59 9.381 9.816 7.203 401 HD11 LEU 59 HD11 LEU 59 8.726 11.780 5.829 402 HD12 LEU 59 HD12 LEU 59 10.043 10.827 5.146 403 HD13 LEU 59 HD13 LEU 59 10.377 12.390 5.951 404 HD21 LEU 59 HD21 LEU 59 11.977 11.433 7.547 405 HD22 LEU 59 HD22 LEU 59 11.822 10.166 6.351 406 HD23 LEU 59 HD23 LEU 59 11.701 9.764 8.088 407 H TYR 60 H TYR 60 5.915 12.032 7.498 408 HA TYR 60 HA TYR 60 6.847 14.176 5.669 409 HB2 TYR 60 HB2 TYR 60 5.500 12.746 3.937 410 HB3 TYR 60 HB3 TYR 60 7.100 12.314 4.442 411 HD1 TYR 60 HD1 TYR 60 3.498 11.618 5.119 412 HD2 TYR 60 HD2 TYR 60 7.514 10.104 5.324 413 HE1 TYR 60 HE1 TYR 60 2.633 9.404 5.800 414 HE2 TYR 60 HE2 TYR 60 6.681 7.910 6.040 415 HH TYR 60 HH TYR 60 3.120 7.312 6.432 416 H GLU 61 H GLU 61 -3.434 12.860 9.558 417 HA GLU 61 HA GLU 61 -5.414 13.698 7.557 418 HB2 GLU 61 HB2 GLU 61 -3.856 12.031 6.737 419 HB3 GLU 61 HB3 GLU 61 -4.197 10.971 8.101 420 HG2 GLU 61 HG2 GLU 61 -5.347 10.261 6.014 421 HG3 GLU 61 HG3 GLU 61 -6.463 10.603 7.329 422 H HIS 62 H HIS 62 -7.051 14.408 8.698 423 HA HIS 62 HA HIS 62 -8.151 13.219 11.087 424 HB2 HIS 62 HB2 HIS 62 -9.460 15.011 9.008 425 HB3 HIS 62 HB3 HIS 62 -10.070 14.695 10.622 426 HD1 HIS 62 HD1 HIS 62 -8.053 15.518 12.639 427 HD2 HIS 62 HD2 HIS 62 -8.331 17.311 8.836 428 HE1 HIS 62 HE1 HIS 62 -7.063 17.851 12.870 429 H CYS 63 H CYS 63 -8.558 12.429 7.718 430 HA CYS 63 HA CYS 63 -11.139 11.111 7.885 431 HB2 CYS 63 HB2 CYS 63 -10.092 12.214 5.901 432 HB3 CYS 63 HB3 CYS 63 -8.912 10.918 5.827 433 H GLY 64 H GLY 64 -11.545 9.075 8.658 434 HA2 GLY 64 HA2 GLY 64 -9.287 7.180 9.177 435 HA3 GLY 64 HA3 GLY 64 -10.878 7.158 9.922 436 H HIS 65 H HIS 65 -12.287 7.430 7.445 437 HA HIS 65 HA HIS 65 -13.330 4.917 7.357 438 HB2 HIS 65 HB2 HIS 65 -14.374 7.015 6.600 439 HB3 HIS 65 HB3 HIS 65 -13.382 7.006 5.150 440 HD1 HIS 65 HD1 HIS 65 -15.993 4.559 6.760 441 HD2 HIS 65 HD2 HIS 65 -14.646 6.120 3.077 442 HE1 HIS 65 HE1 HIS 65 -17.446 3.497 4.939 443 H LEU 66 H LEU 66 -10.642 5.733 5.107 444 HA LEU 66 HA LEU 66 -10.500 2.795 4.646 445 HB2 LEU 66 HB2 LEU 66 -9.665 3.222 2.302 446 HB3 LEU 66 HB3 LEU 66 -11.357 3.413 2.635 447 HG LEU 66 HG LEU 66 -9.521 5.820 2.414 448 HD11 LEU 66 HD11 LEU 66 -9.373 4.566 0.326 449 HD12 LEU 66 HD12 LEU 66 -10.418 5.955 0.062 450 HD13 LEU 66 HD13 LEU 66 -11.134 4.353 0.279 451 HD21 LEU 66 HD21 LEU 66 -11.774 6.356 3.361 452 HD22 LEU 66 HD22 LEU 66 -12.536 5.459 2.039 453 HD23 LEU 66 HD23 LEU 66 -11.654 6.956 1.715 454 H ILE 67 H ILE 67 -8.572 5.555 5.602 455 HA ILE 67 HA ILE 67 -6.110 4.378 4.814 456 HB ILE 67 HB ILE 67 -6.457 6.772 5.230 457 HG12 ILE 67 HG12 ILE 67 -4.102 5.572 6.736 458 HG13 ILE 67 HG13 ILE 67 -4.244 5.689 4.980 459 HG21 ILE 67 HG21 ILE 67 -6.117 6.112 8.189 460 HG22 ILE 67 HG22 ILE 67 -6.315 7.712 7.453 461 HG23 ILE 67 HG23 ILE 67 -7.659 6.571 7.432 462 HD11 ILE 67 HD11 ILE 67 -2.850 7.493 5.777 463 HD12 ILE 67 HD12 ILE 67 -4.366 8.173 5.164 464 HD13 ILE 67 HD13 ILE 67 -4.091 8.030 6.918 465 H GLU 68 H GLU 68 -7.847 3.940 7.909 466 HA GLU 68 HA GLU 68 -5.787 2.449 9.173 467 HB2 GLU 68 HB2 GLU 68 -7.872 3.295 10.278 468 HB3 GLU 68 HB3 GLU 68 -8.807 2.113 9.367 469 HG2 GLU 68 HG2 GLU 68 -8.589 1.182 11.496 470 HG3 GLU 68 HG3 GLU 68 -7.435 0.283 10.533 471 H ALA 69 H ALA 69 -8.324 1.388 6.903 472 HA ALA 69 HA ALA 69 -7.498 -1.341 6.749 473 HB1 ALA 69 HB1 ALA 69 -9.037 0.322 4.716 474 HB2 ALA 69 HB2 ALA 69 -8.961 -1.446 4.800 475 HB3 ALA 69 HB3 ALA 69 -9.738 -0.535 6.107 476 H HIS 70 H HIS 70 -6.387 1.539 4.880 477 HA HIS 70 HA HIS 70 -4.746 0.128 3.027 478 HB2 HIS 70 HB2 HIS 70 -4.198 2.859 4.265 479 HB3 HIS 70 HB3 HIS 70 -3.480 2.209 2.803 480 HD1 HIS 70 HD1 HIS 70 -6.666 1.169 1.912 481 HD2 HIS 70 HD2 HIS 70 -5.033 4.979 2.689 482 HE1 HIS 70 HE1 HIS 70 -8.048 2.869 0.608 483 H LYS 71 H LYS 71 -3.881 1.519 6.220 484 HA LYS 71 HA LYS 71 -1.228 0.518 6.389 485 HB2 LYS 71 HB2 LYS 71 -2.229 2.295 7.800 486 HB3 LYS 71 HB3 LYS 71 -3.238 1.098 8.609 487 HG2 LYS 71 HG2 LYS 71 -1.163 -0.031 9.467 488 HG3 LYS 71 HG3 LYS 71 -0.190 1.209 8.651 489 HD2 LYS 71 HD2 LYS 71 -1.412 2.964 10.022 490 HD3 LYS 71 HD3 LYS 71 -2.258 1.663 10.854 491 HE2 LYS 71 HE2 LYS 71 -0.462 2.410 12.252 492 HE3 LYS 71 HE3 LYS 71 -0.075 0.782 11.691 493 HZ1 LYS 71 HZ1 LYS 71 1.793 2.406 11.577 494 HZ2 LYS 71 HZ2 LYS 71 0.984 3.247 10.407 495 HZ3 LYS 71 HZ3 LYS 71 1.489 1.729 10.124 496 H GLU 72 H GLU 72 -4.204 -0.912 7.728 497 HA GLU 72 HA GLU 72 -3.214 -3.352 8.699 498 HB2 GLU 72 HB2 GLU 72 -5.530 -2.478 8.995 499 HB3 GLU 72 HB3 GLU 72 -5.850 -2.759 7.291 500 HG2 GLU 72 HG2 GLU 72 -6.905 -4.498 8.502 501 HG3 GLU 72 HG3 GLU 72 -5.541 -5.219 7.657 502 H SER 73 H SER 73 -4.377 -2.672 5.354 503 HA SER 73 HA SER 73 -3.931 -5.319 4.383 504 HB2 SER 73 HB2 SER 73 -4.016 -2.726 2.791 505 HB3 SER 73 HB3 SER 73 -4.176 -4.369 2.141 506 HG SER 73 HG SER 73 -5.899 -2.991 3.917 507 H MET 74 H MET 74 -1.815 -2.358 3.972 508 HA MET 74 HA MET 74 0.120 -3.889 2.557 509 HB2 MET 74 HB2 MET 74 1.461 -1.955 2.507 510 HB3 MET 74 HB3 MET 74 -0.219 -1.465 2.355 511 HG2 MET 74 HG2 MET 74 0.526 0.127 3.793 512 HG3 MET 74 HG3 MET 74 -0.059 -1.046 4.959 513 HE1 MET 74 HE1 MET 74 1.961 1.452 5.370 514 HE2 MET 74 HE2 MET 74 1.451 0.439 6.743 515 HE3 MET 74 HE3 MET 74 3.177 0.766 6.466 516 H ARG 75 H ARG 75 -0.017 -3.118 6.066 517 HA ARG 75 HA ARG 75 2.382 -4.470 6.715 518 HB2 ARG 75 HB2 ARG 75 1.177 -2.908 8.159 519 HB3 ARG 75 HB3 ARG 75 -0.102 -4.089 8.424 520 HG2 ARG 75 HG2 ARG 75 2.746 -4.929 9.003 521 HG3 ARG 75 HG3 ARG 75 2.032 -3.732 10.077 522 HD2 ARG 75 HD2 ARG 75 0.762 -6.428 9.475 523 HD3 ARG 75 HD3 ARG 75 1.780 -6.086 10.878 524 HE ARG 75 HE ARG 75 0.127 -4.270 11.462 525 HH11 ARG 75 HH11 ARG 75 -0.981 -7.165 9.692 526 HH12 ARG 75 HH12 ARG 75 -2.634 -6.968 10.229 527 HH21 ARG 75 HH21 ARG 75 -2.019 -4.058 12.103 528 HH22 ARG 75 HH22 ARG 75 -3.220 -5.218 11.578 529 H ALA 76 H ALA 76 -0.984 -5.772 6.680 530 HA ALA 76 HA ALA 76 -0.212 -8.399 7.442 531 HB1 ALA 76 HB1 ALA 76 -2.514 -9.020 6.830 532 HB2 ALA 76 HB2 ALA 76 -2.493 -7.499 7.738 533 HB3 ALA 76 HB3 ALA 76 -2.722 -7.477 5.979 534 H LEU 77 H LEU 77 -1.026 -7.155 4.154 535 HA LEU 77 HA LEU 77 -0.389 -9.632 2.847 536 HB2 LEU 77 HB2 LEU 77 -0.567 -6.826 1.693 537 HB3 LEU 77 HB3 LEU 77 -0.486 -8.307 0.756 538 HG LEU 77 HG LEU 77 -2.762 -7.635 2.678 539 HD11 LEU 77 HD11 LEU 77 -4.076 -7.204 0.665 540 HD12 LEU 77 HD12 LEU 77 -2.667 -7.527 -0.367 541 HD13 LEU 77 HD13 LEU 77 -2.678 -6.120 0.717 542 HD21 LEU 77 HD21 LEU 77 -2.529 -10.059 2.390 543 HD22 LEU 77 HD22 LEU 77 -2.459 -9.866 0.621 544 HD23 LEU 77 HD23 LEU 77 -3.943 -9.476 1.519 545 H GLY 78 H GLY 78 1.647 -6.688 3.459 546 HA2 GLY 78 HA2 GLY 78 3.897 -7.729 1.992 547 HA3 GLY 78 HA3 GLY 78 3.925 -6.455 3.202 548 H PHE 79 H PHE 79 2.900 -8.192 5.451 549 HA PHE 79 HA PHE 79 5.141 -9.861 6.118 550 HB2 PHE 79 HB2 PHE 79 3.597 -8.874 7.755 551 HB3 PHE 79 HB3 PHE 79 2.273 -9.834 7.136 552 HD1 PHE 79 HD1 PHE 79 2.307 -12.376 7.433 553 HD2 PHE 79 HD2 PHE 79 5.090 -9.736 9.412 554 HE1 PHE 79 HE1 PHE 79 2.880 -14.179 9.038 555 HE2 PHE 79 HE2 PHE 79 5.632 -11.540 11.033 556 HZ PHE 79 HZ PHE 79 4.541 -13.758 10.843 557 H LYS 80 H LYS 80 2.005 -10.621 4.615 558 HA LYS 80 HA LYS 80 2.312 -13.490 4.782 559 HB2 LYS 80 HB2 LYS 80 0.171 -12.271 4.917 560 HB3 LYS 80 HB3 LYS 80 0.315 -11.813 3.213 561 HG2 LYS 80 HG2 LYS 80 0.218 -14.195 2.560 562 HG3 LYS 80 HG3 LYS 80 0.164 -14.669 4.273 563 HD2 LYS 80 HD2 LYS 80 -1.954 -13.296 4.495 564 HD3 LYS 80 HD3 LYS 80 -1.939 -13.058 2.741 565 HE2 LYS 80 HE2 LYS 80 -1.980 -15.774 4.142 566 HE3 LYS 80 HE3 LYS 80 -3.419 -14.913 3.599 567 HZ1 LYS 80 HZ1 LYS 80 -2.777 -16.513 1.985 568 HZ2 LYS 80 HZ2 LYS 80 -1.262 -15.899 1.804 569 HZ3 LYS 80 HZ3 LYS 80 -2.573 -15.024 1.327 570 H ILE 81 H ILE 81 2.184 -11.447 1.936 571 HA ILE 81 HA ILE 81 2.655 -11.758 -0.266 572 HB ILE 81 HB ILE 81 5.048 -12.277 -0.818 573 HG12 ILE 81 HG12 ILE 81 5.476 -12.177 2.205 574 HG13 ILE 81 HG13 ILE 81 5.494 -13.673 1.274 575 HG21 ILE 81 HG21 ILE 81 4.445 -10.120 1.256 576 HG22 ILE 81 HG22 ILE 81 5.750 -10.080 0.069 577 HG23 ILE 81 HG23 ILE 81 4.072 -10.015 -0.475 578 HD11 ILE 81 HD11 ILE 81 7.756 -12.850 1.693 579 HD12 ILE 81 HD12 ILE 81 7.403 -12.910 -0.038 580 HD13 ILE 81 HD13 ILE 81 7.413 -11.350 0.832 Start of MODEL 20 1 H ASN 1 H ASN 1 -11.344 7.633 -14.497 2 HA ASN 1 HA ASN 1 -10.727 6.473 -16.452 3 HB2 ASN 1 HB2 ASN 1 -8.288 6.560 -17.164 4 HB3 ASN 1 HB3 ASN 1 -9.398 7.829 -17.709 5 HD21 ASN 1 HD21 ASN 1 -7.070 7.162 -15.014 6 HD22 ASN 1 HD22 ASN 1 -6.878 8.882 -14.749 7 H GLY 2 H GLY 2 -11.332 5.183 -14.518 8 HA2 GLY 2 HA2 GLY 2 -10.966 3.317 -13.188 9 HA3 GLY 2 HA3 GLY 2 -9.373 3.168 -13.926 10 H ASN 3 H ASN 3 -9.198 6.049 -12.730 11 HA ASN 3 HA ASN 3 -7.099 5.388 -10.898 12 HB2 ASN 3 HB2 ASN 3 -7.812 7.482 -12.609 13 HB3 ASN 3 HB3 ASN 3 -7.982 8.209 -11.025 14 HD21 ASN 3 HD21 ASN 3 -6.070 8.722 -9.879 15 HD22 ASN 3 HD22 ASN 3 -4.505 8.385 -10.634 16 H ILE 4 H ILE 4 -6.686 6.162 -8.833 17 HA ILE 4 HA ILE 4 -8.885 6.736 -6.955 18 HB ILE 4 HB ILE 4 -5.862 6.898 -6.706 19 HG12 ILE 4 HG12 ILE 4 -6.061 5.038 -5.059 20 HG13 ILE 4 HG13 ILE 4 -7.725 4.801 -5.498 21 HG21 ILE 4 HG21 ILE 4 -6.329 6.961 -4.248 22 HG22 ILE 4 HG22 ILE 4 -6.705 8.420 -5.117 23 HG23 ILE 4 HG23 ILE 4 -8.025 7.300 -4.618 24 HD11 ILE 4 HD11 ILE 4 -6.880 4.141 -7.819 25 HD12 ILE 4 HD12 ILE 4 -5.223 4.541 -7.263 26 HD13 ILE 4 HD13 ILE 4 -6.132 3.205 -6.530 27 H ASN 5 H ASN 5 -9.455 8.806 -6.239 28 HA ASN 5 HA ASN 5 -8.127 11.199 -7.381 29 HB2 ASN 5 HB2 ASN 5 -10.570 11.047 -7.330 30 HB3 ASN 5 HB3 ASN 5 -10.551 10.813 -5.576 31 HD21 ASN 5 HD21 ASN 5 -9.280 13.198 -8.015 32 HD22 ASN 5 HD22 ASN 5 -9.856 14.568 -7.056 33 H TRP 6 H TRP 6 -6.278 11.820 -6.435 34 HA TRP 6 HA TRP 6 -5.556 10.844 -3.769 35 HB2 TRP 6 HB2 TRP 6 -3.874 12.436 -5.714 36 HB3 TRP 6 HB3 TRP 6 -3.308 11.495 -4.345 37 HD1 TRP 6 HD1 TRP 6 -3.456 11.308 -7.878 38 HE1 TRP 6 HE1 TRP 6 -3.234 8.909 -8.828 39 HE3 TRP 6 HE3 TRP 6 -4.213 8.722 -3.580 40 HZ2 TRP 6 HZ2 TRP 6 -2.799 6.302 -7.677 41 HZ3 TRP 6 HZ3 TRP 6 -3.765 6.283 -3.508 42 HH2 TRP 6 HH2 TRP 6 -3.122 5.048 -5.543 43 H ASN 7 H ASN 7 -7.533 12.804 -3.660 44 HA ASN 7 HA ASN 7 -6.421 15.510 -3.235 45 HB2 ASN 7 HB2 ASN 7 -8.360 14.870 -4.704 46 HB3 ASN 7 HB3 ASN 7 -9.291 14.576 -3.231 47 HD21 ASN 7 HD21 ASN 7 -9.449 16.503 -1.703 48 HD22 ASN 7 HD22 ASN 7 -8.967 18.096 -2.310 49 H SER 8 H SER 8 -6.033 16.426 -1.438 50 HA SER 8 HA SER 8 -5.922 17.134 0.677 51 HB2 SER 8 HB2 SER 8 -7.804 17.481 1.821 52 HB3 SER 8 HB3 SER 8 -8.486 17.136 0.254 53 HG SER 8 HG SER 8 -8.831 14.987 0.913 54 HA PRO 9 HA PRO 9 -4.003 14.341 3.410 55 HB2 PRO 9 HB2 PRO 9 -5.555 15.373 5.781 56 HB3 PRO 9 HB3 PRO 9 -3.781 15.212 5.571 57 HG2 PRO 9 HG2 PRO 9 -4.946 17.629 5.305 58 HG3 PRO 9 HG3 PRO 9 -3.734 17.100 4.085 59 HD2 PRO 9 HD2 PRO 9 -6.762 16.923 3.904 60 HD3 PRO 9 HD3 PRO 9 -5.603 17.626 2.735 61 H CYS 10 H CYS 10 -6.839 13.455 2.592 62 HA CYS 10 HA CYS 10 -7.489 11.281 4.442 63 HB2 CYS 10 HB2 CYS 10 -8.423 12.039 1.648 64 HB3 CYS 10 HB3 CYS 10 -9.125 10.757 2.616 65 H LEU 11 H LEU 11 -7.882 9.600 1.733 66 HA LEU 11 HA LEU 11 -5.636 7.907 1.768 67 HB2 LEU 11 HB2 LEU 11 -7.875 7.569 0.747 68 HB3 LEU 11 HB3 LEU 11 -7.437 8.630 -0.578 69 HG LEU 11 HG LEU 11 -6.137 5.918 0.091 70 HD11 LEU 11 HD11 LEU 11 -7.368 5.149 -1.870 71 HD12 LEU 11 HD12 LEU 11 -8.091 6.759 -2.087 72 HD13 LEU 11 HD13 LEU 11 -8.502 5.769 -0.659 73 HD21 LEU 11 HD21 LEU 11 -4.569 7.263 -1.239 74 HD22 LEU 11 HD22 LEU 11 -5.895 7.853 -2.258 75 HD23 LEU 11 HD23 LEU 11 -5.405 6.133 -2.292 76 H GLY 12 H GLY 12 -6.001 10.951 -0.088 77 HA2 GLY 12 HA2 GLY 12 -3.569 11.105 -1.448 78 HA3 GLY 12 HA3 GLY 12 -4.403 12.475 -0.720 79 H GLY 13 H GLY 13 -3.970 11.418 2.083 80 HA2 GLY 13 HA2 GLY 13 -1.273 12.296 2.665 81 HA3 GLY 13 HA3 GLY 13 -2.404 11.515 3.776 82 H MET 14 H MET 14 -2.756 9.001 2.494 83 HA MET 14 HA MET 14 -0.286 7.561 2.847 84 HB2 MET 14 HB2 MET 14 -2.723 6.750 3.051 85 HB3 MET 14 HB3 MET 14 -2.676 6.578 1.315 86 HG2 MET 14 HG2 MET 14 -2.134 4.469 2.373 87 HG3 MET 14 HG3 MET 14 -0.711 5.072 1.530 88 HE1 MET 14 HE1 MET 14 -1.197 4.810 6.140 89 HE2 MET 14 HE2 MET 14 -2.121 6.012 5.215 90 HE3 MET 14 HE3 MET 14 -2.399 4.269 4.952 91 H ALA 15 H ALA 15 -1.951 8.734 0.009 92 HA ALA 15 HA ALA 15 0.209 8.085 -1.832 93 HB1 ALA 15 HB1 ALA 15 -1.704 7.853 -2.932 94 HB2 ALA 15 HB2 ALA 15 -2.605 9.025 -1.973 95 HB3 ALA 15 HB3 ALA 15 -1.577 9.584 -3.293 96 H SER 16 H SER 16 0.858 9.870 0.388 97 HA SER 16 HA SER 16 2.478 11.762 -1.261 98 HB2 SER 16 HB2 SER 16 1.053 12.406 1.356 99 HB3 SER 16 HB3 SER 16 2.346 13.395 0.661 100 HG SER 16 HG SER 16 -0.234 12.869 -0.345 101 H GLY 17 H GLY 17 4.470 12.481 -0.128 102 HA2 GLY 17 HA2 GLY 17 6.007 12.169 1.815 103 HA3 GLY 17 HA3 GLY 17 5.380 10.583 1.980 104 HA PRO 18 HA PRO 18 9.739 10.176 0.006 105 HB2 PRO 18 HB2 PRO 18 10.028 7.962 1.696 106 HB3 PRO 18 HB3 PRO 18 10.532 9.649 1.983 107 HG2 PRO 18 HG2 PRO 18 7.897 8.431 2.901 108 HG3 PRO 18 HG3 PRO 18 9.167 9.240 3.887 109 HD2 PRO 18 HD2 PRO 18 7.198 10.695 3.048 110 HD3 PRO 18 HD3 PRO 18 8.817 11.314 2.661 111 H CYS 19 H CYS 19 6.871 8.194 0.447 112 HA CYS 19 HA CYS 19 7.685 6.372 -1.771 113 HB2 CYS 19 HB2 CYS 19 6.576 5.565 0.916 114 HB3 CYS 19 HB3 CYS 19 6.941 4.455 -0.389 115 H GLY 20 H GLY 20 5.693 8.679 -1.277 116 HA2 GLY 20 HA2 GLY 20 3.039 7.739 -1.168 117 HA3 GLY 20 HA3 GLY 20 3.563 9.201 -2.023 118 H GLU 21 H GLU 21 5.178 8.069 -3.937 119 HA GLU 21 HA GLU 21 3.554 7.230 -6.125 120 HB2 GLU 21 HB2 GLU 21 5.776 6.730 -7.090 121 HB3 GLU 21 HB3 GLU 21 5.670 8.315 -6.363 122 HG2 GLU 21 HG2 GLU 21 6.821 6.221 -4.582 123 HG3 GLU 21 HG3 GLU 21 7.740 6.538 -6.048 124 H GLN 22 H GLN 22 5.282 5.201 -3.720 125 HA GLN 22 HA GLN 22 4.715 2.730 -5.068 126 HB2 GLN 22 HB2 GLN 22 4.934 2.990 -2.054 127 HB3 GLN 22 HB3 GLN 22 5.303 1.623 -3.089 128 HG2 GLN 22 HG2 GLN 22 6.882 4.162 -2.714 129 HG3 GLN 22 HG3 GLN 22 7.305 2.541 -2.238 130 HE21 GLN 22 HE21 GLN 22 8.614 4.634 -3.978 131 HE22 GLN 22 HE22 GLN 22 8.876 3.835 -5.532 132 H PHE 23 H PHE 23 2.907 4.689 -2.636 133 HA PHE 23 HA PHE 23 0.706 2.878 -2.551 134 HB2 PHE 23 HB2 PHE 23 1.243 4.978 -0.997 135 HB3 PHE 23 HB3 PHE 23 0.325 5.855 -2.195 136 HD1 PHE 23 HD1 PHE 23 0.054 2.506 -0.512 137 HD2 PHE 23 HD2 PHE 23 -1.922 6.198 -1.540 138 HE1 PHE 23 HE1 PHE 23 -2.056 1.619 0.435 139 HE2 PHE 23 HE2 PHE 23 -3.968 5.360 -0.385 140 HZ PHE 23 HZ PHE 23 -4.103 3.023 0.397 141 H LYS 24 H LYS 24 1.311 5.723 -4.644 142 HA LYS 24 HA LYS 24 -1.033 5.626 -6.183 143 HB2 LYS 24 HB2 LYS 24 1.683 6.109 -7.363 144 HB3 LYS 24 HB3 LYS 24 0.218 6.720 -7.960 145 HG2 LYS 24 HG2 LYS 24 1.513 7.633 -5.387 146 HG3 LYS 24 HG3 LYS 24 1.543 8.450 -6.943 147 HD2 LYS 24 HD2 LYS 24 -1.009 8.504 -6.741 148 HD3 LYS 24 HD3 LYS 24 -0.840 7.932 -5.121 149 HE2 LYS 24 HE2 LYS 24 -1.101 10.387 -5.204 150 HE3 LYS 24 HE3 LYS 24 0.471 9.944 -4.519 151 HZ1 LYS 24 HZ1 LYS 24 1.560 10.683 -6.432 152 HZ2 LYS 24 HZ2 LYS 24 0.378 11.802 -6.222 153 HZ3 LYS 24 HZ3 LYS 24 0.199 10.662 -7.374 154 H SER 25 H SER 25 1.938 3.913 -6.723 155 HA SER 25 HA SER 25 1.218 2.319 -8.915 156 HB2 SER 25 HB2 SER 25 3.495 2.757 -8.132 157 HB3 SER 25 HB3 SER 25 3.183 1.902 -6.625 158 HG SER 25 HG SER 25 4.269 0.569 -7.905 159 H ALA 26 H ALA 26 1.096 1.467 -5.445 160 HA ALA 26 HA ALA 26 0.108 -1.202 -5.819 161 HB1 ALA 26 HB1 ALA 26 1.410 -0.456 -3.841 162 HB2 ALA 26 HB2 ALA 26 0.069 0.593 -3.351 163 HB3 ALA 26 HB3 ALA 26 -0.143 -1.167 -3.367 164 H PHE 27 H PHE 27 -1.674 1.693 -4.550 165 HA PHE 27 HA PHE 27 -4.121 0.262 -4.651 166 HB2 PHE 27 HB2 PHE 27 -3.264 2.679 -3.522 167 HB3 PHE 27 HB3 PHE 27 -4.514 3.147 -4.659 168 HD1 PHE 27 HD1 PHE 27 -3.886 0.321 -2.225 169 HD2 PHE 27 HD2 PHE 27 -6.669 3.307 -3.628 170 HE1 PHE 27 HE1 PHE 27 -5.593 -0.496 -0.612 171 HE2 PHE 27 HE2 PHE 27 -8.332 2.537 -1.933 172 HZ PHE 27 HZ PHE 27 -7.818 0.582 -0.512 173 H SER 28 H SER 28 -2.662 2.430 -7.149 174 HA SER 28 HA SER 28 -4.769 2.220 -9.010 175 HB2 SER 28 HB2 SER 28 -2.846 3.592 -9.488 176 HB3 SER 28 HB3 SER 28 -1.764 2.180 -9.469 177 HG SER 28 HG SER 28 -2.258 2.754 -11.557 178 H CYS 29 H CYS 29 -1.928 -0.102 -8.648 179 HA CYS 29 HA CYS 29 -2.927 -1.920 -10.537 180 HB2 CYS 29 HB2 CYS 29 -0.607 -1.763 -9.530 181 HB3 CYS 29 HB3 CYS 29 -1.195 -2.662 -8.153 182 H PHE 30 H PHE 30 -3.608 -1.942 -6.969 183 HA PHE 30 HA PHE 30 -5.438 -4.076 -6.961 184 HB2 PHE 30 HB2 PHE 30 -4.869 -3.248 -4.874 185 HB3 PHE 30 HB3 PHE 30 -5.108 -1.576 -5.347 186 HD1 PHE 30 HD1 PHE 30 -7.441 -4.560 -5.451 187 HD2 PHE 30 HD2 PHE 30 -6.703 -0.564 -3.999 188 HE1 PHE 30 HE1 PHE 30 -9.724 -4.481 -4.501 189 HE2 PHE 30 HE2 PHE 30 -8.985 -0.499 -3.043 190 HZ PHE 30 HZ PHE 30 -10.510 -2.437 -3.313 191 H HIS 31 H HIS 31 -6.232 -0.635 -7.721 192 HA HIS 31 HA HIS 31 -8.992 -1.016 -8.189 193 HB2 HIS 31 HB2 HIS 31 -6.948 1.015 -9.105 194 HB3 HIS 31 HB3 HIS 31 -8.502 0.973 -9.909 195 HD1 HIS 31 HD1 HIS 31 -9.652 3.056 -8.987 196 HD2 HIS 31 HD2 HIS 31 -7.912 0.585 -6.051 197 HE1 HIS 31 HE1 HIS 31 -10.380 3.994 -6.706 198 H TYR 32 H TYR 32 -6.320 -1.213 -10.541 199 HA TYR 32 HA TYR 32 -7.961 -2.197 -12.695 200 HB2 TYR 32 HB2 TYR 32 -4.986 -1.935 -12.224 201 HB3 TYR 32 HB3 TYR 32 -5.617 -2.721 -13.657 202 HD1 TYR 32 HD1 TYR 32 -5.323 0.572 -11.934 203 HD2 TYR 32 HD2 TYR 32 -6.752 -1.517 -15.427 204 HE1 TYR 32 HE1 TYR 32 -5.679 2.727 -13.047 205 HE2 TYR 32 HE2 TYR 32 -7.056 0.669 -16.567 206 HH TYR 32 HH TYR 32 -6.241 3.784 -15.013 207 H SER 33 H SER 33 -6.818 -3.847 -9.972 208 HA SER 33 HA SER 33 -6.905 -6.532 -11.213 209 HB2 SER 33 HB2 SER 33 -5.123 -6.042 -9.637 210 HB3 SER 33 HB3 SER 33 -6.286 -5.638 -8.386 211 HG SER 33 HG SER 33 -6.368 -8.205 -9.613 212 H THR 34 H THR 34 -8.417 -5.363 -8.168 213 HA THR 34 HA THR 34 -10.304 -6.050 -7.097 214 HB THR 34 HB THR 34 -12.468 -5.880 -8.265 215 HG1 THR 34 HG1 THR 34 -11.305 -6.452 -10.394 216 HG21 THR 34 HG21 THR 34 -11.456 -3.886 -7.299 217 HG22 THR 34 HG22 THR 34 -12.303 -3.488 -8.804 218 HG23 THR 34 HG23 THR 34 -10.528 -3.598 -8.784 219 H GLU 35 H GLU 35 -8.690 -8.167 -7.650 220 HA GLU 35 HA GLU 35 -10.182 -10.388 -8.784 221 HB2 GLU 35 HB2 GLU 35 -7.452 -9.916 -7.717 222 HB3 GLU 35 HB3 GLU 35 -8.085 -11.517 -7.382 223 HG2 GLU 35 HG2 GLU 35 -6.814 -11.543 -9.435 224 HG3 GLU 35 HG3 GLU 35 -8.498 -11.970 -9.713 225 H GLU 36 H GLU 36 -8.917 -10.101 -5.461 226 HA GLU 36 HA GLU 36 -11.346 -11.268 -4.264 227 HB2 GLU 36 HB2 GLU 36 -10.239 -13.223 -5.328 228 HB3 GLU 36 HB3 GLU 36 -8.758 -12.883 -4.437 229 HG2 GLU 36 HG2 GLU 36 -9.906 -13.317 -2.302 230 HG3 GLU 36 HG3 GLU 36 -11.448 -13.498 -3.141 231 H ILE 37 H ILE 37 -7.844 -11.010 -3.709 232 HA ILE 37 HA ILE 37 -8.311 -9.605 -1.108 233 HB ILE 37 HB ILE 37 -6.030 -11.282 -2.148 234 HG12 ILE 37 HG12 ILE 37 -7.803 -11.503 0.296 235 HG13 ILE 37 HG13 ILE 37 -7.955 -12.400 -1.225 236 HG21 ILE 37 HG21 ILE 37 -4.748 -10.782 -0.119 237 HG22 ILE 37 HG22 ILE 37 -4.950 -9.350 -1.101 238 HG23 ILE 37 HG23 ILE 37 -5.956 -9.567 0.361 239 HD11 ILE 37 HD11 ILE 37 -5.683 -12.640 0.771 240 HD12 ILE 37 HD12 ILE 37 -6.931 -13.833 0.391 241 HD13 ILE 37 HD13 ILE 37 -5.714 -13.420 -0.834 242 H LYS 38 H LYS 38 -7.191 -7.604 -0.706 243 HA LYS 38 HA LYS 38 -7.209 -5.699 -2.740 244 HB2 LYS 38 HB2 LYS 38 -5.382 -5.726 -0.290 245 HB3 LYS 38 HB3 LYS 38 -5.670 -4.332 -1.317 246 HG2 LYS 38 HG2 LYS 38 -7.623 -5.634 0.595 247 HG3 LYS 38 HG3 LYS 38 -6.887 -4.041 0.656 248 HD2 LYS 38 HD2 LYS 38 -8.997 -3.479 -0.109 249 HD3 LYS 38 HD3 LYS 38 -8.120 -3.630 -1.619 250 HE2 LYS 38 HE2 LYS 38 -10.092 -4.822 -2.058 251 HE3 LYS 38 HE3 LYS 38 -8.975 -6.111 -1.612 252 HZ1 LYS 38 HZ1 LYS 38 -10.889 -6.532 -0.412 253 HZ2 LYS 38 HZ2 LYS 38 -11.185 -4.974 -0.054 254 HZ3 LYS 38 HZ3 LYS 38 -9.978 -5.786 0.740 255 H GLY 39 H GLY 39 -6.273 -5.925 -4.648 256 HA2 GLY 39 HA2 GLY 39 -4.671 -6.144 -6.271 257 HA3 GLY 39 HA3 GLY 39 -3.503 -5.566 -5.073 258 H SER 40 H SER 40 -5.308 -8.727 -4.885 259 HA SER 40 HA SER 40 -2.950 -10.221 -4.542 260 HB2 SER 40 HB2 SER 40 -4.364 -12.209 -4.990 261 HB3 SER 40 HB3 SER 40 -4.989 -11.064 -3.824 262 HG SER 40 HG SER 40 -6.252 -11.993 -5.885 263 H ASP 41 H ASP 41 -4.150 -9.079 -7.625 264 HA ASP 41 HA ASP 41 -2.138 -10.706 -9.020 265 HB2 ASP 41 HB2 ASP 41 -4.447 -10.108 -9.926 266 HB3 ASP 41 HB3 ASP 41 -3.810 -8.486 -10.219 267 H CYS 42 H CYS 42 -1.299 -8.576 -6.964 268 HA CYS 42 HA CYS 42 0.404 -6.751 -8.557 269 HB2 CYS 42 HB2 CYS 42 -2.086 -5.902 -7.019 270 HB3 CYS 42 HB3 CYS 42 -0.833 -4.774 -7.476 271 H VAL 43 H VAL 43 0.412 -8.692 -6.033 272 HA VAL 43 HA VAL 43 0.540 -7.067 -3.733 273 HB VAL 43 HB VAL 43 1.228 -8.920 -2.517 274 HG11 VAL 43 HG11 VAL 43 -0.462 -10.043 -4.757 275 HG12 VAL 43 HG12 VAL 43 -0.358 -10.620 -3.081 276 HG13 VAL 43 HG13 VAL 43 -1.042 -9.021 -3.415 277 HG21 VAL 43 HG21 VAL 43 3.164 -9.760 -3.706 278 HG22 VAL 43 HG22 VAL 43 2.007 -11.075 -3.511 279 HG23 VAL 43 HG23 VAL 43 2.151 -10.263 -5.086 280 H ASP 44 H ASP 44 3.077 -7.839 -5.980 281 HA ASP 44 HA ASP 44 5.402 -7.139 -4.548 282 HB2 ASP 44 HB2 ASP 44 5.174 -8.219 -6.790 283 HB3 ASP 44 HB3 ASP 44 4.704 -6.666 -7.475 284 H GLN 45 H GLN 45 2.964 -4.990 -6.009 285 HA GLN 45 HA GLN 45 4.473 -2.561 -5.631 286 HB2 GLN 45 HB2 GLN 45 1.548 -3.063 -6.203 287 HB3 GLN 45 HB3 GLN 45 2.273 -1.466 -5.984 288 HG2 GLN 45 HG2 GLN 45 2.128 -1.922 -8.328 289 HG3 GLN 45 HG3 GLN 45 3.803 -1.796 -7.828 290 HE21 GLN 45 HE21 GLN 45 1.288 -4.143 -8.852 291 HE22 GLN 45 HE22 GLN 45 2.469 -5.371 -9.286 292 H PHE 46 H PHE 46 1.949 -4.194 -3.662 293 HA PHE 46 HA PHE 46 1.966 -2.289 -1.475 294 HB2 PHE 46 HB2 PHE 46 1.216 -5.218 -1.649 295 HB3 PHE 46 HB3 PHE 46 0.979 -4.247 -0.210 296 HD1 PHE 46 HD1 PHE 46 -0.161 -4.567 -3.774 297 HD2 PHE 46 HD2 PHE 46 -0.847 -2.743 0.081 298 HE1 PHE 46 HE1 PHE 46 -2.301 -3.616 -4.588 299 HE2 PHE 46 HE2 PHE 46 -2.992 -1.832 -0.729 300 HZ PHE 46 HZ PHE 46 -3.722 -2.250 -3.069 301 H ARG 47 H ARG 47 3.724 -5.321 -2.113 302 HA ARG 47 HA ARG 47 5.363 -5.405 0.110 303 HB2 ARG 47 HB2 ARG 47 5.223 -7.021 -1.884 304 HB3 ARG 47 HB3 ARG 47 6.457 -6.005 -2.650 305 HG2 ARG 47 HG2 ARG 47 7.949 -6.376 -0.686 306 HG3 ARG 47 HG3 ARG 47 6.677 -7.359 0.072 307 HD2 ARG 47 HD2 ARG 47 6.748 -8.864 -1.967 308 HD3 ARG 47 HD3 ARG 47 8.179 -7.965 -2.506 309 HE ARG 47 HE ARG 47 8.651 -8.768 0.149 310 HH11 ARG 47 HH11 ARG 47 8.156 -10.362 -3.000 311 HH12 ARG 47 HH12 ARG 47 9.056 -11.790 -2.539 312 HH21 ARG 47 HH21 ARG 47 9.799 -10.644 0.712 313 HH22 ARG 47 HH22 ARG 47 9.981 -11.950 -0.438 314 H ALA 48 H ALA 48 6.047 -3.604 -2.935 315 HA ALA 48 HA ALA 48 8.256 -2.165 -1.901 316 HB1 ALA 48 HB1 ALA 48 8.046 -2.303 -4.178 317 HB2 ALA 48 HB2 ALA 48 6.362 -1.666 -4.184 318 HB3 ALA 48 HB3 ALA 48 7.749 -0.599 -3.793 319 H MET 49 H MET 49 4.759 -1.236 -1.813 320 HA MET 49 HA MET 49 5.018 1.260 -0.609 321 HB2 MET 49 HB2 MET 49 2.838 0.325 -1.246 322 HB3 MET 49 HB3 MET 49 2.984 -0.893 0.015 323 HG2 MET 49 HG2 MET 49 3.128 1.072 1.685 324 HG3 MET 49 HG3 MET 49 2.493 2.051 0.362 325 HE1 MET 49 HE1 MET 49 -0.498 1.473 2.909 326 HE2 MET 49 HE2 MET 49 1.226 1.562 3.331 327 HE3 MET 49 HE3 MET 49 0.550 2.674 2.122 328 H GLN 50 H GLN 50 4.768 -1.819 1.335 329 HA GLN 50 HA GLN 50 5.583 -0.374 3.648 330 HB2 GLN 50 HB2 GLN 50 5.592 -2.446 4.811 331 HB3 GLN 50 HB3 GLN 50 4.187 -2.300 3.761 332 HG2 GLN 50 HG2 GLN 50 5.491 -3.767 2.074 333 HG3 GLN 50 HG3 GLN 50 6.612 -4.103 3.404 334 HE21 GLN 50 HE21 GLN 50 3.299 -4.447 2.213 335 HE22 GLN 50 HE22 GLN 50 2.751 -5.518 3.514 336 H GLU 51 H GLU 51 7.523 -2.405 1.533 337 HA GLU 51 HA GLU 51 10.069 -2.326 2.840 338 HB2 GLU 51 HB2 GLU 51 9.325 -3.786 0.946 339 HB3 GLU 51 HB3 GLU 51 9.219 -2.390 -0.080 340 HG2 GLU 51 HG2 GLU 51 11.189 -2.609 -0.835 341 HG3 GLU 51 HG3 GLU 51 11.941 -2.535 0.773 342 H CYS 52 H CYS 52 8.486 0.130 0.848 343 HA CYS 52 HA CYS 52 10.844 1.901 1.063 344 HB2 CYS 52 HB2 CYS 52 9.431 1.686 -0.990 345 HB3 CYS 52 HB3 CYS 52 8.104 2.389 -0.104 346 H MET 53 H MET 53 7.512 1.705 2.489 347 HA MET 53 HA MET 53 7.749 4.332 3.648 348 HB2 MET 53 HB2 MET 53 5.706 2.115 3.981 349 HB3 MET 53 HB3 MET 53 5.654 3.593 4.940 350 HG2 MET 53 HG2 MET 53 5.595 4.983 2.936 351 HG3 MET 53 HG3 MET 53 5.669 3.550 1.905 352 HE1 MET 53 HE1 MET 53 3.566 4.557 0.564 353 HE2 MET 53 HE2 MET 53 2.033 5.000 1.352 354 HE3 MET 53 HE3 MET 53 3.499 5.942 1.678 355 H GLN 54 H GLN 54 8.588 1.182 4.769 356 HA GLN 54 HA GLN 54 9.227 1.574 7.421 357 HB2 GLN 54 HB2 GLN 54 10.816 -0.219 7.019 358 HB3 GLN 54 HB3 GLN 54 9.401 -0.478 6.089 359 HG2 GLN 54 HG2 GLN 54 11.079 -1.069 4.638 360 HG3 GLN 54 HG3 GLN 54 10.675 0.561 4.117 361 HE21 GLN 54 HE21 GLN 54 12.804 0.098 3.074 362 HE22 GLN 54 HE22 GLN 54 14.228 0.665 3.949 363 H LYS 55 H LYS 55 10.865 3.101 4.681 364 HA LYS 55 HA LYS 55 13.353 3.848 5.844 365 HB2 LYS 55 HB2 LYS 55 11.746 5.223 3.684 366 HB3 LYS 55 HB3 LYS 55 13.425 5.593 4.085 367 HG2 LYS 55 HG2 LYS 55 14.163 3.373 3.418 368 HG3 LYS 55 HG3 LYS 55 12.506 2.828 3.212 369 HD2 LYS 55 HD2 LYS 55 13.329 3.220 1.043 370 HD3 LYS 55 HD3 LYS 55 12.208 4.545 1.387 371 HE2 LYS 55 HE2 LYS 55 14.175 5.995 1.988 372 HE3 LYS 55 HE3 LYS 55 15.252 4.646 1.599 373 HZ1 LYS 55 HZ1 LYS 55 13.440 6.030 -0.298 374 HZ2 LYS 55 HZ2 LYS 55 14.335 4.704 -0.683 375 HZ3 LYS 55 HZ3 LYS 55 15.076 6.131 -0.274 376 H TYR 56 H TYR 56 10.257 5.312 6.418 377 HA TYR 56 HA TYR 56 11.530 7.479 8.053 378 HB2 TYR 56 HB2 TYR 56 9.589 7.914 5.784 379 HB3 TYR 56 HB3 TYR 56 10.024 9.089 7.018 380 HD1 TYR 56 HD1 TYR 56 12.399 9.788 7.344 381 HD2 TYR 56 HD2 TYR 56 11.162 7.440 3.957 382 HE1 TYR 56 HE1 TYR 56 14.388 10.554 6.090 383 HE2 TYR 56 HE2 TYR 56 13.052 8.366 2.608 384 HH TYR 56 HH TYR 56 14.990 9.644 2.665 385 HA PRO 57 HA PRO 57 7.959 5.943 10.320 386 HB2 PRO 57 HB2 PRO 57 8.504 6.915 12.816 387 HB3 PRO 57 HB3 PRO 57 9.414 5.567 12.066 388 HG2 PRO 57 HG2 PRO 57 10.175 8.493 12.171 389 HG3 PRO 57 HG3 PRO 57 11.194 7.074 12.553 390 HD2 PRO 57 HD2 PRO 57 11.256 8.333 10.121 391 HD3 PRO 57 HD3 PRO 57 11.478 6.572 10.270 392 H ASP 58 H ASP 58 8.694 9.489 10.458 393 HA ASP 58 HA ASP 58 5.829 10.038 10.671 394 HB2 ASP 58 HB2 ASP 58 6.679 9.262 12.873 395 HB3 ASP 58 HB3 ASP 58 7.570 10.792 12.925 396 H LEU 59 H LEU 59 6.668 10.914 8.688 397 HA LEU 59 HA LEU 59 8.133 13.516 8.893 398 HB2 LEU 59 HB2 LEU 59 9.687 11.814 8.809 399 HB3 LEU 59 HB3 LEU 59 8.820 10.833 7.676 400 HG LEU 59 HG LEU 59 11.018 11.723 7.055 401 HD11 LEU 59 HD11 LEU 59 8.818 12.396 5.107 402 HD12 LEU 59 HD12 LEU 59 9.552 10.795 5.414 403 HD13 LEU 59 HD13 LEU 59 10.528 12.099 4.725 404 HD21 LEU 59 HD21 LEU 59 9.663 14.328 6.467 405 HD22 LEU 59 HD22 LEU 59 11.376 13.905 6.296 406 HD23 LEU 59 HD23 LEU 59 10.644 14.014 7.914 407 H TYR 60 H TYR 60 5.532 11.907 7.673 408 HA TYR 60 HA TYR 60 4.881 13.826 5.519 409 HB2 TYR 60 HB2 TYR 60 4.462 11.920 3.889 410 HB3 TYR 60 HB3 TYR 60 6.127 12.319 4.234 411 HD1 TYR 60 HD1 TYR 60 7.368 10.907 5.959 412 HD2 TYR 60 HD2 TYR 60 3.769 9.625 4.018 413 HE1 TYR 60 HE1 TYR 60 7.665 8.765 7.003 414 HE2 TYR 60 HE2 TYR 60 4.308 7.283 4.664 415 HH TYR 60 HH TYR 60 6.998 6.489 6.897 416 H GLU 61 H GLU 61 -16.226 4.622 1.656 417 HA GLU 61 HA GLU 61 -17.325 6.436 0.565 418 HB2 GLU 61 HB2 GLU 61 -19.570 5.985 2.572 419 HB3 GLU 61 HB3 GLU 61 -19.444 7.286 1.401 420 HG2 GLU 61 HG2 GLU 61 -20.798 5.938 0.179 421 HG3 GLU 61 HG3 GLU 61 -19.261 5.268 -0.354 422 H HIS 62 H HIS 62 -17.450 8.557 1.442 423 HA HIS 62 HA HIS 62 -16.764 10.334 2.653 424 HB2 HIS 62 HB2 HIS 62 -18.059 9.468 4.532 425 HB3 HIS 62 HB3 HIS 62 -16.653 8.569 5.102 426 HD1 HIS 62 HD1 HIS 62 -17.976 12.163 4.928 427 HD2 HIS 62 HD2 HIS 62 -14.721 9.922 6.365 428 HE1 HIS 62 HE1 HIS 62 -16.592 13.748 6.372 429 H CYS 63 H CYS 63 -14.971 11.458 3.071 430 HA CYS 63 HA CYS 63 -12.584 10.509 1.920 431 HB2 CYS 63 HB2 CYS 63 -13.538 12.847 2.078 432 HB3 CYS 63 HB3 CYS 63 -12.898 12.942 3.708 433 H GLY 64 H GLY 64 -10.944 9.335 2.696 434 HA2 GLY 64 HA2 GLY 64 -9.190 8.714 4.090 435 HA3 GLY 64 HA3 GLY 64 -9.814 9.773 5.358 436 H HIS 65 H HIS 65 -12.270 7.696 4.328 437 HA HIS 65 HA HIS 65 -12.535 6.176 6.667 438 HB2 HIS 65 HB2 HIS 65 -14.373 6.387 5.207 439 HB3 HIS 65 HB3 HIS 65 -13.457 5.839 3.811 440 HD1 HIS 65 HD1 HIS 65 -14.307 3.560 3.010 441 HD2 HIS 65 HD2 HIS 65 -14.405 4.072 7.186 442 HE1 HIS 65 HE1 HIS 65 -15.251 1.409 3.969 443 H LEU 66 H LEU 66 -10.859 5.144 3.640 444 HA LEU 66 HA LEU 66 -10.555 2.470 4.635 445 HB2 LEU 66 HB2 LEU 66 -9.359 3.773 2.154 446 HB3 LEU 66 HB3 LEU 66 -9.311 2.056 2.536 447 HG LEU 66 HG LEU 66 -11.900 3.602 2.153 448 HD11 LEU 66 HD11 LEU 66 -11.981 2.500 -0.052 449 HD12 LEU 66 HD12 LEU 66 -10.376 1.794 0.229 450 HD13 LEU 66 HD13 LEU 66 -10.569 3.558 0.077 451 HD21 LEU 66 HD21 LEU 66 -12.190 1.546 3.488 452 HD22 LEU 66 HD22 LEU 66 -11.307 0.612 2.263 453 HD23 LEU 66 HD23 LEU 66 -12.878 1.344 1.874 454 H ILE 67 H ILE 67 -8.623 5.053 5.614 455 HA ILE 67 HA ILE 67 -6.013 4.101 5.280 456 HB ILE 67 HB ILE 67 -7.168 5.742 7.558 457 HG12 ILE 67 HG12 ILE 67 -7.489 6.909 5.481 458 HG13 ILE 67 HG13 ILE 67 -6.174 7.669 6.357 459 HG21 ILE 67 HG21 ILE 67 -5.064 4.898 8.371 460 HG22 ILE 67 HG22 ILE 67 -4.248 5.264 6.838 461 HG23 ILE 67 HG23 ILE 67 -4.824 6.574 7.894 462 HD11 ILE 67 HD11 ILE 67 -6.003 5.966 3.871 463 HD12 ILE 67 HD12 ILE 67 -5.557 7.661 4.083 464 HD13 ILE 67 HD13 ILE 67 -4.561 6.403 4.830 465 H GLU 68 H GLU 68 -8.089 3.290 8.164 466 HA GLU 68 HA GLU 68 -6.060 1.603 9.301 467 HB2 GLU 68 HB2 GLU 68 -9.045 1.901 9.745 468 HB3 GLU 68 HB3 GLU 68 -8.137 0.605 10.506 469 HG2 GLU 68 HG2 GLU 68 -8.251 2.373 12.079 470 HG3 GLU 68 HG3 GLU 68 -6.587 2.238 11.529 471 H ALA 69 H ALA 69 -8.552 0.873 6.887 472 HA ALA 69 HA ALA 69 -7.932 -1.944 6.749 473 HB1 ALA 69 HB1 ALA 69 -9.297 -1.913 4.734 474 HB2 ALA 69 HB2 ALA 69 -10.085 -0.979 6.018 475 HB3 ALA 69 HB3 ALA 69 -9.261 -0.142 4.683 476 H HIS 70 H HIS 70 -6.610 0.901 4.969 477 HA HIS 70 HA HIS 70 -4.843 -0.501 3.245 478 HB2 HIS 70 HB2 HIS 70 -4.267 2.147 4.650 479 HB3 HIS 70 HB3 HIS 70 -3.452 1.513 3.239 480 HD1 HIS 70 HD1 HIS 70 -6.618 0.801 1.986 481 HD2 HIS 70 HD2 HIS 70 -4.645 4.401 2.942 482 HE1 HIS 70 HE1 HIS 70 -7.718 2.709 0.640 483 H LYS 71 H LYS 71 -4.261 0.741 6.536 484 HA LYS 71 HA LYS 71 -1.729 -0.363 7.074 485 HB2 LYS 71 HB2 LYS 71 -2.863 1.339 8.435 486 HB3 LYS 71 HB3 LYS 71 -4.073 0.162 8.945 487 HG2 LYS 71 HG2 LYS 71 -2.241 -1.172 10.053 488 HG3 LYS 71 HG3 LYS 71 -1.102 0.118 9.623 489 HD2 LYS 71 HD2 LYS 71 -2.461 1.737 10.957 490 HD3 LYS 71 HD3 LYS 71 -3.615 0.450 11.333 491 HE2 LYS 71 HE2 LYS 71 -1.530 -0.843 12.244 492 HE3 LYS 71 HE3 LYS 71 -0.738 0.737 12.232 493 HZ1 LYS 71 HZ1 LYS 71 -2.617 1.518 13.678 494 HZ2 LYS 71 HZ2 LYS 71 -1.688 0.366 14.366 495 HZ3 LYS 71 HZ3 LYS 71 -3.149 -0.048 13.796 496 H GLU 72 H GLU 72 -4.894 -1.859 8.049 497 HA GLU 72 HA GLU 72 -3.686 -4.218 9.046 498 HB2 GLU 72 HB2 GLU 72 -6.044 -3.321 9.463 499 HB3 GLU 72 HB3 GLU 72 -6.489 -3.994 7.904 500 HG2 GLU 72 HG2 GLU 72 -7.182 -5.576 9.515 501 HG3 GLU 72 HG3 GLU 72 -5.733 -6.275 8.808 502 H SER 73 H SER 73 -4.897 -3.527 5.740 503 HA SER 73 HA SER 73 -4.488 -6.192 4.728 504 HB2 SER 73 HB2 SER 73 -4.594 -3.572 3.184 505 HB3 SER 73 HB3 SER 73 -4.726 -5.204 2.503 506 HG SER 73 HG SER 73 -6.482 -3.837 4.230 507 H MET 74 H MET 74 -2.389 -3.211 4.399 508 HA MET 74 HA MET 74 -0.404 -4.649 2.985 509 HB2 MET 74 HB2 MET 74 0.978 -2.771 3.124 510 HB3 MET 74 HB3 MET 74 -0.670 -2.173 3.016 511 HG2 MET 74 HG2 MET 74 0.313 -0.781 4.595 512 HG3 MET 74 HG3 MET 74 -0.568 -1.932 5.582 513 HE1 MET 74 HE1 MET 74 0.555 -1.601 7.785 514 HE2 MET 74 HE2 MET 74 2.301 -1.365 8.029 515 HE3 MET 74 HE3 MET 74 1.367 -0.186 7.081 516 H ARG 75 H ARG 75 -0.712 -4.138 6.538 517 HA ARG 75 HA ARG 75 1.578 -5.635 7.273 518 HB2 ARG 75 HB2 ARG 75 0.275 -4.230 8.791 519 HB3 ARG 75 HB3 ARG 75 -1.121 -5.304 8.643 520 HG2 ARG 75 HG2 ARG 75 0.156 -7.136 9.716 521 HG3 ARG 75 HG3 ARG 75 1.573 -6.073 9.854 522 HD2 ARG 75 HD2 ARG 75 0.342 -4.551 11.314 523 HD3 ARG 75 HD3 ARG 75 -1.160 -5.451 11.067 524 HE ARG 75 HE ARG 75 1.061 -6.127 12.837 525 HH11 ARG 75 HH11 ARG 75 -1.804 -7.448 11.165 526 HH12 ARG 75 HH12 ARG 75 -1.987 -8.763 12.305 527 HH21 ARG 75 HH21 ARG 75 0.771 -7.836 14.291 528 HH22 ARG 75 HH22 ARG 75 -0.529 -8.985 14.066 529 H ALA 76 H ALA 76 -1.797 -6.847 6.616 530 HA ALA 76 HA ALA 76 -1.257 -9.567 7.191 531 HB1 ALA 76 HB1 ALA 76 -3.282 -10.019 5.873 532 HB2 ALA 76 HB2 ALA 76 -3.517 -8.620 6.935 533 HB3 ALA 76 HB3 ALA 76 -3.237 -8.378 5.199 534 H LEU 77 H LEU 77 -1.045 -7.905 3.971 535 HA LEU 77 HA LEU 77 0.076 -10.094 2.552 536 HB2 LEU 77 HB2 LEU 77 0.452 -7.084 2.249 537 HB3 LEU 77 HB3 LEU 77 1.069 -8.257 1.091 538 HG LEU 77 HG LEU 77 -1.889 -7.935 1.773 539 HD11 LEU 77 HD11 LEU 77 -0.975 -5.938 0.645 540 HD12 LEU 77 HD12 LEU 77 -2.056 -6.838 -0.426 541 HD13 LEU 77 HD13 LEU 77 -0.299 -6.969 -0.641 542 HD21 LEU 77 HD21 LEU 77 -1.408 -10.184 0.919 543 HD22 LEU 77 HD22 LEU 77 -0.473 -9.498 -0.431 544 HD23 LEU 77 HD23 LEU 77 -2.225 -9.232 -0.322 545 H GLY 78 H GLY 78 1.731 -7.595 4.494 546 HA2 GLY 78 HA2 GLY 78 4.409 -8.412 4.139 547 HA3 GLY 78 HA3 GLY 78 3.748 -7.608 5.572 548 H PHE 79 H PHE 79 1.981 -9.693 6.455 549 HA PHE 79 HA PHE 79 3.788 -11.604 7.687 550 HB2 PHE 79 HB2 PHE 79 0.808 -11.113 7.707 551 HB3 PHE 79 HB3 PHE 79 1.438 -12.629 8.302 552 HD1 PHE 79 HD1 PHE 79 2.652 -9.041 8.756 553 HD2 PHE 79 HD2 PHE 79 1.335 -12.718 10.593 554 HE1 PHE 79 HE1 PHE 79 3.022 -8.061 10.990 555 HE2 PHE 79 HE2 PHE 79 1.706 -11.721 12.831 556 HZ PHE 79 HZ PHE 79 2.550 -9.389 13.035 557 H LYS 80 H LYS 80 1.520 -11.813 4.955 558 HA LYS 80 HA LYS 80 1.886 -14.705 4.683 559 HB2 LYS 80 HB2 LYS 80 0.223 -12.656 3.193 560 HB3 LYS 80 HB3 LYS 80 0.297 -14.364 2.734 561 HG2 LYS 80 HG2 LYS 80 -0.406 -15.039 5.001 562 HG3 LYS 80 HG3 LYS 80 -0.527 -13.349 5.498 563 HD2 LYS 80 HD2 LYS 80 -2.360 -12.957 3.961 564 HD3 LYS 80 HD3 LYS 80 -2.143 -14.563 3.224 565 HE2 LYS 80 HE2 LYS 80 -2.667 -15.648 5.374 566 HE3 LYS 80 HE3 LYS 80 -2.886 -14.076 6.148 567 HZ1 LYS 80 HZ1 LYS 80 -4.483 -14.970 3.812 568 HZ2 LYS 80 HZ2 LYS 80 -4.789 -13.675 4.788 569 HZ3 LYS 80 HZ3 LYS 80 -4.984 -15.199 5.366 570 H ILE 81 H ILE 81 3.443 -12.009 3.087 571 HA ILE 81 HA ILE 81 4.532 -13.699 0.995 572 HB ILE 81 HB ILE 81 3.927 -11.259 0.818 573 HG12 ILE 81 HG12 ILE 81 5.761 -10.668 -0.738 574 HG13 ILE 81 HG13 ILE 81 6.661 -12.091 -0.219 575 HG21 ILE 81 HG21 ILE 81 5.156 -10.517 2.871 576 HG22 ILE 81 HG22 ILE 81 6.685 -10.795 2.007 577 HG23 ILE 81 HG23 ILE 81 5.541 -9.574 1.428 578 HD11 ILE 81 HD11 ILE 81 4.893 -13.559 -1.131 579 HD12 ILE 81 HD12 ILE 81 3.901 -12.133 -1.525 580 HD13 ILE 81 HD13 ILE 81 5.440 -12.415 -2.363
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