NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588183 | 2mpq | 19998 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 0.890 0.591 -0.640 2 HA2 GLY 1 HA2 GLY 1 3.225 0.866 -0.799 3 HA3 GLY 1 HA3 GLY 1 3.037 0.129 0.785 4 H ALA 2 H ALA 2 3.672 -0.555 -2.619 5 HA ALA 2 HA ALA 2 5.256 -2.879 -1.766 6 HB1 ALA 2 HB1 ALA 2 3.314 -2.822 -4.071 7 HB2 ALA 2 HB2 ALA 2 4.472 -4.116 -3.762 8 HB3 ALA 2 HB3 ALA 2 3.187 -3.786 -2.600 9 H CYS 3 H CYS 3 7.245 -2.025 -2.104 10 HA CYS 3 HA CYS 3 8.129 -1.714 -4.812 11 HB2 CYS 3 HB2 CYS 3 9.027 0.604 -4.469 12 HB3 CYS 3 HB3 CYS 3 7.272 0.514 -4.572 13 H LEU 4 H LEU 4 10.534 -0.623 -4.585 14 HA LEU 4 HA LEU 4 11.857 -2.217 -2.492 15 HB2 LEU 4 HB2 LEU 4 12.919 -1.395 -5.190 16 HB3 LEU 4 HB3 LEU 4 13.783 -2.354 -3.990 17 HG LEU 4 HG LEU 4 11.226 -3.250 -5.312 18 HD11 LEU 4 HD11 LEU 4 13.962 -4.241 -6.025 19 HD12 LEU 4 HD12 LEU 4 13.244 -2.859 -6.852 20 HD13 LEU 4 HD13 LEU 4 12.445 -4.430 -6.904 21 HD21 LEU 4 HD21 LEU 4 12.359 -5.494 -4.571 22 HD22 LEU 4 HD22 LEU 4 11.421 -4.539 -3.423 23 HD23 LEU 4 HD23 LEU 4 13.183 -4.451 -3.411 24 H GLY 5 H GLY 5 12.697 -1.032 -0.915 25 HA2 GLY 5 HA2 GLY 5 13.023 1.781 -1.079 26 HA3 GLY 5 HA3 GLY 5 13.593 0.751 0.226 27 H PHE 6 H PHE 6 15.264 2.633 -0.106 28 HA PHE 6 HA PHE 6 17.117 2.416 -2.236 29 HB2 PHE 6 HB2 PHE 6 16.894 4.465 -0.912 30 HB3 PHE 6 HB3 PHE 6 17.468 3.616 0.520 31 HD1 PHE 6 HD2 PHE 6 18.444 4.828 -2.827 32 HD2 PHE 6 HD1 PHE 6 19.771 3.325 0.927 33 HE1 PHE 6 HE2 PHE 6 20.759 5.422 -3.411 34 HE2 PHE 6 HE1 PHE 6 22.088 3.917 0.350 35 HZ PHE 6 HZ PHE 6 22.585 4.966 -1.822 36 H GLY 7 H GLY 7 18.905 1.198 -2.493 37 HA2 GLY 7 HA2 GLY 7 20.713 -0.148 -1.859 38 HA3 GLY 7 HA3 GLY 7 20.062 -0.215 -0.228 39 H LYS 8 H LYS 8 17.823 -0.858 -2.728 40 HA LYS 8 HA LYS 8 17.858 -3.702 -2.002 41 HB2 LYS 8 HB2 LYS 8 15.696 -2.056 -3.331 42 HB3 LYS 8 HB3 LYS 8 15.562 -3.757 -2.903 43 HG2 LYS 8 HG2 LYS 8 16.060 -1.562 -0.907 44 HG3 LYS 8 HG3 LYS 8 14.460 -2.188 -1.313 45 HD2 LYS 8 HD2 LYS 8 16.594 -4.109 -0.510 46 HD3 LYS 8 HD3 LYS 8 15.814 -3.135 0.739 47 HE2 LYS 8 HE2 LYS 8 13.640 -3.971 0.076 48 HE3 LYS 8 HE3 LYS 8 14.362 -4.868 -1.259 49 HZ1 LYS 8 HZ1 LYS 8 15.728 -5.695 0.967 50 HZ2 LYS 8 HZ2 LYS 8 14.527 -6.558 0.148 51 HZ3 LYS 8 HZ3 LYS 8 14.119 -5.602 1.482 52 H SER 9 H SER 9 17.721 -5.322 -3.597 53 HA SER 9 HA SER 9 19.136 -4.672 -6.024 54 HB2 SER 9 HB2 SER 9 18.989 -7.143 -6.437 55 HB3 SER 9 HB3 SER 9 19.739 -6.718 -4.899 56 HG SER 9 HG SER 9 18.066 -7.515 -3.841 57 H CYS 10 H CYS 10 18.017 -3.736 -7.613 58 HA CYS 10 HA CYS 10 15.377 -4.854 -8.298 59 HB2 CYS 10 HB2 CYS 10 14.913 -2.627 -9.342 60 HB3 CYS 10 HB3 CYS 10 15.126 -2.567 -7.595 61 H ASN 11 H ASN 11 14.855 -4.247 -10.718 62 HA ASN 11 HA ASN 11 17.138 -5.207 -12.306 63 HB2 ASN 11 HB2 ASN 11 14.872 -6.505 -12.111 64 HB3 ASN 11 HB3 ASN 11 14.302 -5.311 -13.274 65 HD21 ASN 11 HD21 ASN 11 14.425 -5.942 -15.290 66 HD22 ASN 11 HD22 ASN 11 15.591 -7.032 -15.953 67 HA PRO 12 HA PRO 12 17.255 -1.314 -14.379 68 HB2 PRO 12 HB2 PRO 12 18.678 -2.084 -16.559 69 HB3 PRO 12 HB3 PRO 12 19.406 -1.870 -14.963 70 HG2 PRO 12 HG2 PRO 12 18.526 -4.388 -16.322 71 HG3 PRO 12 HG3 PRO 12 20.001 -4.078 -15.388 72 HD2 PRO 12 HD2 PRO 12 17.861 -5.367 -14.344 73 HD3 PRO 12 HD3 PRO 12 18.926 -4.339 -13.365 74 H SER 13 H SER 13 16.417 -4.205 -16.273 75 HA SER 13 HA SER 13 15.177 -2.786 -18.392 76 HB2 SER 13 HB2 SER 13 16.044 -5.199 -18.408 77 HB3 SER 13 HB3 SER 13 14.529 -5.627 -17.614 78 HG SER 13 HG SER 13 13.419 -4.788 -19.401 79 H ASN 14 H ASN 14 14.130 -3.764 -15.254 80 HA ASN 14 HA ASN 14 11.490 -2.615 -15.803 81 HB2 ASN 14 HB2 ASN 14 11.633 -5.253 -15.765 82 HB3 ASN 14 HB3 ASN 14 11.643 -5.011 -14.021 83 HD21 ASN 14 HD21 ASN 14 9.616 -6.346 -14.524 84 HD22 ASN 14 HD22 ASN 14 8.157 -5.441 -14.716 85 H ASP 15 H ASP 15 12.961 -0.917 -14.710 86 HA ASP 15 HA ASP 15 13.751 -1.003 -12.075 87 HB2 ASP 15 HB2 ASP 15 13.511 1.444 -12.058 88 HB3 ASP 15 HB3 ASP 15 14.246 0.883 -13.557 89 H GLN 16 H GLN 16 12.660 -1.523 -10.308 90 HA GLN 16 HA GLN 16 9.933 -0.491 -9.974 91 HB2 GLN 16 HB2 GLN 16 10.810 -3.315 -9.345 92 HB3 GLN 16 HB3 GLN 16 9.233 -2.630 -8.974 93 HG2 GLN 16 HG2 GLN 16 9.603 -2.180 -11.700 94 HG3 GLN 16 HG3 GLN 16 10.191 -3.817 -11.410 95 HE21 GLN 16 HE21 GLN 16 7.706 -2.541 -12.666 96 HE22 GLN 16 HE22 GLN 16 6.402 -3.444 -11.981 97 H CYS 17 H CYS 17 11.130 1.102 -8.698 98 HA CYS 17 HA CYS 17 11.858 0.066 -6.036 99 HB2 CYS 17 HB2 CYS 17 12.895 2.481 -7.527 100 HB3 CYS 17 HB3 CYS 17 13.219 2.178 -5.823 101 H CYS 18 H CYS 18 11.820 2.236 -4.501 102 HA CYS 18 HA CYS 18 8.995 2.865 -4.360 103 HB2 CYS 18 HB2 CYS 18 11.305 3.496 -2.514 104 HB3 CYS 18 HB3 CYS 18 9.635 3.954 -2.194 105 H LYS 19 H LYS 19 8.340 4.438 -5.694 106 HA LYS 19 HA LYS 19 9.951 6.597 -6.558 107 HB2 LYS 19 HB2 LYS 19 6.933 6.481 -6.555 108 HB3 LYS 19 HB3 LYS 19 7.957 7.461 -7.596 109 HG2 LYS 19 HG2 LYS 19 7.909 4.451 -7.608 110 HG3 LYS 19 HG3 LYS 19 6.990 5.474 -8.714 111 HD2 LYS 19 HD2 LYS 19 9.234 6.533 -9.321 112 HD3 LYS 19 HD3 LYS 19 9.972 5.162 -8.489 113 HE2 LYS 19 HE2 LYS 19 9.900 4.350 -10.627 114 HE3 LYS 19 HE3 LYS 19 8.344 3.780 -10.026 115 HZ1 LYS 19 HZ1 LYS 19 7.268 5.035 -11.489 116 HZ2 LYS 19 HZ2 LYS 19 8.752 5.294 -12.258 117 HZ3 LYS 19 HZ3 LYS 19 8.180 6.412 -11.125 118 H SER 20 H SER 20 7.695 6.189 -3.906 119 HA SER 20 HA SER 20 7.258 8.837 -3.194 120 HB2 SER 20 HB2 SER 20 7.272 6.251 -1.695 121 HB3 SER 20 HB3 SER 20 7.189 7.755 -0.777 122 HG SER 20 HG SER 20 5.262 6.512 -2.210 123 H SER 21 H SER 21 9.998 6.739 -2.526 124 HA SER 21 HA SER 21 11.286 8.828 -0.939 125 HB2 SER 21 HB2 SER 21 11.753 5.905 -1.354 126 HB3 SER 21 HB3 SER 21 13.116 6.913 -0.870 127 HG SER 21 HG SER 21 12.286 6.462 1.041 128 H SER 22 H SER 22 10.843 8.788 -3.962 129 HA SER 22 HA SER 22 11.957 9.363 -5.865 130 HB2 SER 22 HB2 SER 22 13.550 10.671 -3.686 131 HB3 SER 22 HB3 SER 22 14.104 10.776 -5.357 132 HG SER 22 HG SER 22 11.883 11.539 -5.802 133 H LEU 23 H LEU 23 12.339 6.821 -5.590 134 HA LEU 23 HA LEU 23 15.236 6.333 -5.773 135 HB2 LEU 23 HB2 LEU 23 12.963 4.457 -5.152 136 HB3 LEU 23 HB3 LEU 23 14.628 3.939 -5.412 137 HG LEU 23 HG LEU 23 13.625 5.690 -3.168 138 HD11 LEU 23 HD11 LEU 23 13.158 3.161 -3.185 139 HD12 LEU 23 HD12 LEU 23 13.904 3.867 -1.751 140 HD13 LEU 23 HD13 LEU 23 14.893 2.988 -2.917 141 HD21 LEU 23 HD21 LEU 23 15.862 6.354 -3.870 142 HD22 LEU 23 HD22 LEU 23 16.406 4.680 -3.757 143 HD23 LEU 23 HD23 LEU 23 15.908 5.545 -2.303 144 H ALA 24 H ALA 24 15.900 4.665 -7.354 145 HA ALA 24 HA ALA 24 14.162 4.007 -9.528 146 HB1 ALA 24 HB1 ALA 24 16.133 5.371 -10.953 147 HB2 ALA 24 HB2 ALA 24 14.437 5.824 -10.778 148 HB3 ALA 24 HB3 ALA 24 15.643 6.476 -9.669 149 H CYS 25 H CYS 25 15.113 2.557 -11.018 150 HA CYS 25 HA CYS 25 17.506 1.246 -9.967 151 HB2 CYS 25 HB2 CYS 25 15.226 0.089 -10.573 152 HB3 CYS 25 HB3 CYS 25 15.867 0.133 -12.212 153 H SER 26 H SER 26 19.388 1.806 -10.821 154 HA SER 26 HA SER 26 19.490 2.841 -13.553 155 HB2 SER 26 HB2 SER 26 20.706 3.725 -11.283 156 HB3 SER 26 HB3 SER 26 21.985 2.729 -11.979 157 HG SER 26 HG SER 26 20.576 4.703 -13.445 158 H THR 27 H THR 27 20.644 1.904 -15.186 159 HA THR 27 HA THR 27 21.160 -0.912 -14.950 160 HB THR 27 HB THR 27 21.887 0.795 -17.324 161 HG1 THR 27 HG1 THR 27 19.724 0.393 -18.039 162 HG21 THR 27 HG21 THR 27 21.481 -2.093 -16.778 163 HG22 THR 27 HG22 THR 27 22.616 -1.295 -17.867 164 HG23 THR 27 HG23 THR 27 20.927 -1.482 -18.336 165 H LYS 28 H LYS 28 22.929 1.678 -14.035 166 HA LYS 28 HA LYS 28 25.517 0.672 -14.927 167 HB2 LYS 28 HB2 LYS 28 24.955 3.133 -14.898 168 HB3 LYS 28 HB3 LYS 28 24.958 3.043 -13.142 169 HG2 LYS 28 HG2 LYS 28 27.079 3.815 -13.608 170 HG3 LYS 28 HG3 LYS 28 27.340 2.078 -13.433 171 HD2 LYS 28 HD2 LYS 28 26.785 2.232 -16.075 172 HD3 LYS 28 HD3 LYS 28 27.552 3.800 -15.815 173 HE2 LYS 28 HE2 LYS 28 28.915 1.511 -14.569 174 HE3 LYS 28 HE3 LYS 28 28.894 1.502 -16.331 175 HZ1 LYS 28 HZ1 LYS 28 30.322 3.198 -16.428 176 HZ2 LYS 28 HZ2 LYS 28 30.680 2.831 -14.816 177 HZ3 LYS 28 HZ3 LYS 28 29.570 4.055 -15.178 178 H HIS 29 H HIS 29 23.843 1.372 -11.865 179 HA HIS 29 HA HIS 29 25.817 -0.279 -10.456 180 HB2 HIS 29 HB2 HIS 29 23.753 1.671 -9.418 181 HB3 HIS 29 HB3 HIS 29 24.808 0.705 -8.391 182 HD1 HIS 29 HD1 HIS 29 27.388 1.139 -10.211 183 HD2 HIS 29 HD2 HIS 29 24.881 4.104 -8.733 184 HE1 HIS 29 HE1 HIS 29 28.778 3.234 -10.166 185 H LYS 30 H LYS 30 22.555 -0.237 -11.531 186 HA LYS 30 HA LYS 30 20.850 -1.736 -11.390 187 HB2 LYS 30 HB2 LYS 30 23.258 -3.409 -10.824 188 HB3 LYS 30 HB3 LYS 30 21.668 -4.116 -10.568 189 HG2 LYS 30 HG2 LYS 30 21.232 -3.186 -12.991 190 HG3 LYS 30 HG3 LYS 30 22.992 -3.282 -13.093 191 HD2 LYS 30 HD2 LYS 30 21.199 -5.564 -12.267 192 HD3 LYS 30 HD3 LYS 30 21.827 -5.326 -13.900 193 HE2 LYS 30 HE2 LYS 30 24.105 -5.506 -13.067 194 HE3 LYS 30 HE3 LYS 30 23.507 -5.672 -11.417 195 HZ1 LYS 30 HZ1 LYS 30 23.698 -7.641 -13.504 196 HZ2 LYS 30 HZ2 LYS 30 22.190 -7.627 -12.738 197 HZ3 LYS 30 HZ3 LYS 30 23.599 -7.848 -11.827 198 H TRP 31 H TRP 31 20.469 -0.139 -9.471 199 HA TRP 31 HA TRP 31 19.333 -1.635 -7.367 200 HB2 TRP 31 HB2 TRP 31 20.715 -1.138 -5.521 201 HB3 TRP 31 HB3 TRP 31 21.827 -1.663 -6.782 202 HD1 TRP 31 HD1 TRP 31 22.041 1.092 -8.382 203 HE1 TRP 31 HE1 TRP 31 23.333 3.055 -7.333 204 HE3 TRP 31 HE3 TRP 31 21.858 -0.344 -3.479 205 HZ2 TRP 31 HZ2 TRP 31 24.165 3.885 -4.766 206 HZ3 TRP 31 HZ3 TRP 31 22.927 1.090 -1.789 207 HH2 TRP 31 HH2 TRP 31 24.057 3.160 -2.422 208 H CYS 32 H CYS 32 18.165 -0.309 -5.848 209 HA CYS 32 HA CYS 32 17.019 1.978 -7.029 210 HB2 CYS 32 HB2 CYS 32 16.902 1.068 -4.145 211 HB3 CYS 32 HB3 CYS 32 15.825 2.243 -4.894 212 H LYS 33 H LYS 33 18.514 3.558 -7.474 213 HA LYS 33 HA LYS 33 20.060 4.656 -5.236 214 HB2 LYS 33 HB2 LYS 33 21.226 5.955 -7.060 215 HB3 LYS 33 HB3 LYS 33 21.437 4.210 -7.123 216 HG2 LYS 33 HG2 LYS 33 20.279 3.998 -9.058 217 HG3 LYS 33 HG3 LYS 33 19.199 5.345 -8.689 218 HD2 LYS 33 HD2 LYS 33 20.624 5.938 -10.549 219 HD3 LYS 33 HD3 LYS 33 21.057 6.912 -9.142 220 HE2 LYS 33 HE2 LYS 33 23.062 5.832 -8.843 221 HE3 LYS 33 HE3 LYS 33 22.499 4.348 -9.610 222 HZ1 LYS 33 HZ1 LYS 33 23.929 5.219 -11.172 223 HZ2 LYS 33 HZ2 LYS 33 23.484 6.822 -10.867 224 HZ3 LYS 33 HZ3 LYS 33 22.439 5.802 -11.721 225 H TYR 34 H TYR 34 19.799 6.717 -4.507 226 HA TYR 34 HA TYR 34 17.314 7.963 -4.774 227 HB2 TYR 34 HB2 TYR 34 19.961 8.820 -3.665 228 HB3 TYR 34 HB3 TYR 34 18.660 9.996 -3.808 229 HD1 TYR 34 HD1 TYR 34 16.292 8.935 -2.927 230 HD2 TYR 34 HD2 TYR 34 20.187 7.872 -1.584 231 HE1 TYR 34 HE1 TYR 34 15.338 8.144 -0.802 232 HE2 TYR 34 HE2 TYR 34 19.243 7.077 0.544 233 HH TYR 34 HH TYR 34 16.248 6.287 1.046 234 H GLU 35 H GLU 35 16.475 9.207 -6.306 235 HA GLU 35 HA GLU 35 18.046 9.986 -8.580 236 HB2 GLU 35 HB2 GLU 35 15.164 10.108 -7.825 237 HB3 GLU 35 HB3 GLU 35 15.731 11.182 -9.096 238 HG2 GLU 35 HG2 GLU 35 16.227 9.451 -10.529 239 HG3 GLU 35 HG3 GLU 35 16.390 8.278 -9.223 240 H LEU 36 H LEU 36 19.427 11.631 -8.316 241 HA LEU 36 HA LEU 36 18.788 13.886 -6.625 242 HB2 LEU 36 HB2 LEU 36 21.161 13.008 -8.205 243 HB3 LEU 36 HB3 LEU 36 21.041 14.692 -7.696 244 HG LEU 36 HG LEU 36 20.639 13.566 -5.331 245 HD11 LEU 36 HD11 LEU 36 21.554 11.385 -7.020 246 HD12 LEU 36 HD12 LEU 36 20.857 11.350 -5.401 247 HD13 LEU 36 HD13 LEU 36 22.584 11.640 -5.611 248 HD21 LEU 36 HD21 LEU 36 22.651 14.423 -4.835 249 HD22 LEU 36 HD22 LEU 36 22.659 14.945 -6.520 250 HD23 LEU 36 HD23 LEU 36 23.477 13.453 -6.055 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 1.377 -0.107 -2.067 3 HA3 GLY 1 HA3 GLY 1 2.585 0.946 -1.346 4 H ALA 2 H ALA 2 3.494 -0.682 -3.225 5 HA ALA 2 HA ALA 2 5.148 -2.550 -1.711 6 HB1 ALA 2 HB1 ALA 2 4.007 -4.324 -2.423 7 HB2 ALA 2 HB2 ALA 2 3.066 -3.358 -3.560 8 HB3 ALA 2 HB3 ALA 2 4.651 -3.976 -4.027 9 H CYS 3 H CYS 3 7.090 -1.671 -2.082 10 HA CYS 3 HA CYS 3 8.053 -1.558 -4.819 11 HB2 CYS 3 HB2 CYS 3 8.993 0.739 -4.482 12 HB3 CYS 3 HB3 CYS 3 7.236 0.690 -4.585 13 H LEU 4 H LEU 4 10.479 -0.517 -4.567 14 HA LEU 4 HA LEU 4 11.743 -2.131 -2.451 15 HB2 LEU 4 HB2 LEU 4 12.853 -1.355 -5.144 16 HB3 LEU 4 HB3 LEU 4 13.678 -2.330 -3.929 17 HG LEU 4 HG LEU 4 11.115 -3.164 -5.278 18 HD11 LEU 4 HD11 LEU 4 13.850 -4.202 -5.941 19 HD12 LEU 4 HD12 LEU 4 13.130 -2.848 -6.811 20 HD13 LEU 4 HD13 LEU 4 12.339 -4.423 -6.823 21 HD21 LEU 4 HD21 LEU 4 12.175 -5.433 -4.503 22 HD22 LEU 4 HD22 LEU 4 11.243 -4.444 -3.379 23 HD23 LEU 4 HD23 LEU 4 13.006 -4.404 -3.337 24 H GLY 5 H GLY 5 12.647 -0.978 -0.888 25 HA2 GLY 5 HA2 GLY 5 13.018 1.833 -1.053 26 HA3 GLY 5 HA3 GLY 5 13.571 0.793 0.251 27 H PHE 6 H PHE 6 15.274 2.649 -0.097 28 HA PHE 6 HA PHE 6 17.117 2.389 -2.229 29 HB2 PHE 6 HB2 PHE 6 16.933 4.444 -0.903 30 HB3 PHE 6 HB3 PHE 6 17.507 3.586 0.522 31 HD1 PHE 6 HD2 PHE 6 18.470 4.778 -2.836 32 HD2 PHE 6 HD1 PHE 6 19.808 3.263 0.909 33 HE1 PHE 6 HE2 PHE 6 20.788 5.334 -3.443 34 HE2 PHE 6 HE1 PHE 6 22.129 3.818 0.309 35 HZ PHE 6 HZ PHE 6 22.621 4.854 -1.870 36 H GLY 7 H GLY 7 18.853 1.110 -2.502 37 HA2 GLY 7 HA2 GLY 7 20.644 -0.264 -1.871 38 HA3 GLY 7 HA3 GLY 7 20.005 -0.307 -0.234 39 H LYS 8 H LYS 8 17.732 -0.916 -2.711 40 HA LYS 8 HA LYS 8 17.701 -3.752 -1.961 41 HB2 LYS 8 HB2 LYS 8 15.586 -2.058 -3.304 42 HB3 LYS 8 HB3 LYS 8 15.406 -3.756 -2.883 43 HG2 LYS 8 HG2 LYS 8 15.920 -1.553 -0.897 44 HG3 LYS 8 HG3 LYS 8 14.328 -2.210 -1.282 45 HD2 LYS 8 HD2 LYS 8 16.641 -3.836 -0.229 46 HD3 LYS 8 HD3 LYS 8 15.341 -3.182 0.770 47 HE2 LYS 8 HE2 LYS 8 14.437 -5.222 0.392 48 HE3 LYS 8 HE3 LYS 8 13.875 -4.439 -1.084 49 HZ1 LYS 8 HZ1 LYS 8 15.018 -5.898 -2.266 50 HZ2 LYS 8 HZ2 LYS 8 15.521 -6.676 -0.851 51 HZ3 LYS 8 HZ3 LYS 8 16.463 -5.437 -1.515 52 H SER 9 H SER 9 17.555 -5.388 -3.530 53 HA SER 9 HA SER 9 18.987 -4.805 -5.958 54 HB2 SER 9 HB2 SER 9 17.856 -7.361 -4.810 55 HB3 SER 9 HB3 SER 9 18.711 -7.291 -6.350 56 HG SER 9 HG SER 9 20.503 -7.293 -5.274 57 H CYS 10 H CYS 10 17.905 -3.846 -7.560 58 HA CYS 10 HA CYS 10 15.240 -4.894 -8.256 59 HB2 CYS 10 HB2 CYS 10 14.842 -2.662 -9.314 60 HB3 CYS 10 HB3 CYS 10 15.051 -2.595 -7.567 61 H ASN 11 H ASN 11 14.752 -4.288 -10.683 62 HA ASN 11 HA ASN 11 17.021 -5.314 -12.250 63 HB2 ASN 11 HB2 ASN 11 14.739 -6.571 -12.062 64 HB3 ASN 11 HB3 ASN 11 14.182 -5.366 -13.219 65 HD21 ASN 11 HD21 ASN 11 14.306 -5.969 -15.245 66 HD22 ASN 11 HD22 ASN 11 15.443 -7.084 -15.914 67 HA PRO 12 HA PRO 12 17.232 -1.438 -14.349 68 HB2 PRO 12 HB2 PRO 12 18.659 -2.252 -16.510 69 HB3 PRO 12 HB3 PRO 12 19.377 -2.040 -14.909 70 HG2 PRO 12 HG2 PRO 12 18.460 -4.551 -16.256 71 HG3 PRO 12 HG3 PRO 12 19.933 -4.262 -15.312 72 HD2 PRO 12 HD2 PRO 12 17.759 -5.502 -14.278 73 HD3 PRO 12 HD3 PRO 12 18.836 -4.486 -13.297 74 H SER 13 H SER 13 16.355 -4.326 -16.227 75 HA SER 13 HA SER 13 15.167 -2.907 -18.373 76 HB2 SER 13 HB2 SER 13 15.969 -5.350 -18.329 77 HB3 SER 13 HB3 SER 13 14.420 -5.715 -17.569 78 HG SER 13 HG SER 13 14.788 -5.658 -20.070 79 H ASN 14 H ASN 14 14.064 -3.817 -15.232 80 HA ASN 14 HA ASN 14 11.465 -2.597 -15.818 81 HB2 ASN 14 HB2 ASN 14 11.519 -5.234 -15.771 82 HB3 ASN 14 HB3 ASN 14 11.531 -4.992 -14.026 83 HD21 ASN 14 HD21 ASN 14 9.464 -6.312 -15.107 84 HD22 ASN 14 HD22 ASN 14 8.035 -5.341 -15.084 85 H ASP 15 H ASP 15 12.937 -0.922 -14.720 86 HA ASP 15 HA ASP 15 13.721 -1.012 -12.083 87 HB2 ASP 15 HB2 ASP 15 13.512 1.438 -12.073 88 HB3 ASP 15 HB3 ASP 15 14.243 0.863 -13.569 89 H GLN 16 H GLN 16 12.626 -1.491 -10.307 90 HA GLN 16 HA GLN 16 9.911 -0.427 -9.984 91 HB2 GLN 16 HB2 GLN 16 10.731 -3.258 -9.310 92 HB3 GLN 16 HB3 GLN 16 9.152 -2.542 -9.012 93 HG2 GLN 16 HG2 GLN 16 9.662 -2.157 -11.737 94 HG3 GLN 16 HG3 GLN 16 10.163 -3.808 -11.375 95 HE21 GLN 16 HE21 GLN 16 7.551 -1.757 -10.136 96 HE22 GLN 16 HE22 GLN 16 6.274 -2.858 -10.513 97 H CYS 17 H CYS 17 11.133 1.148 -8.709 98 HA CYS 17 HA CYS 17 11.831 0.106 -6.041 99 HB2 CYS 17 HB2 CYS 17 12.926 2.498 -7.529 100 HB3 CYS 17 HB3 CYS 17 13.247 2.175 -5.828 101 H CYS 18 H CYS 18 11.839 2.286 -4.518 102 HA CYS 18 HA CYS 18 9.028 2.978 -4.387 103 HB2 CYS 18 HB2 CYS 18 11.350 3.564 -2.541 104 HB3 CYS 18 HB3 CYS 18 9.694 4.072 -2.228 105 H LYS 19 H LYS 19 8.421 4.549 -5.750 106 HA LYS 19 HA LYS 19 10.082 6.674 -6.605 107 HB2 LYS 19 HB2 LYS 19 7.063 6.551 -6.656 108 HB3 LYS 19 HB3 LYS 19 8.087 7.585 -7.644 109 HG2 LYS 19 HG2 LYS 19 8.072 4.576 -7.755 110 HG3 LYS 19 HG3 LYS 19 7.197 5.636 -8.863 111 HD2 LYS 19 HD2 LYS 19 9.473 6.716 -9.327 112 HD3 LYS 19 HD3 LYS 19 10.165 5.299 -8.534 113 HE2 LYS 19 HE2 LYS 19 9.166 3.836 -10.151 114 HE3 LYS 19 HE3 LYS 19 8.261 5.168 -10.867 115 HZ1 LYS 19 HZ1 LYS 19 9.988 5.719 -12.126 116 HZ2 LYS 19 HZ2 LYS 19 10.715 4.264 -11.663 117 HZ3 LYS 19 HZ3 LYS 19 11.066 5.689 -10.822 118 H SER 20 H SER 20 7.824 6.302 -3.961 119 HA SER 20 HA SER 20 7.405 8.971 -3.282 120 HB2 SER 20 HB2 SER 20 6.205 7.026 -2.280 121 HB3 SER 20 HB3 SER 20 7.659 6.648 -1.357 122 HG SER 20 HG SER 20 6.963 8.035 0.043 123 H SER 21 H SER 21 10.110 6.841 -2.608 124 HA SER 21 HA SER 21 11.409 8.911 -0.999 125 HB2 SER 21 HB2 SER 21 12.494 6.158 -1.592 126 HB3 SER 21 HB3 SER 21 12.927 7.236 -0.265 127 HG SER 21 HG SER 21 11.513 5.567 0.409 128 H SER 22 H SER 22 11.008 8.881 -4.017 129 HA SER 22 HA SER 22 12.159 9.414 -5.910 130 HB2 SER 22 HB2 SER 22 12.827 11.229 -4.103 131 HB3 SER 22 HB3 SER 22 14.417 10.484 -4.267 132 HG SER 22 HG SER 22 13.724 12.325 -5.741 133 H LEU 23 H LEU 23 12.465 6.870 -5.653 134 HA LEU 23 HA LEU 23 15.351 6.304 -5.805 135 HB2 LEU 23 HB2 LEU 23 13.033 4.493 -5.162 136 HB3 LEU 23 HB3 LEU 23 14.682 3.929 -5.420 137 HG LEU 23 HG LEU 23 13.733 5.731 -3.194 138 HD11 LEU 23 HD11 LEU 23 13.942 3.919 -1.761 139 HD12 LEU 23 HD12 LEU 23 14.930 3.003 -2.899 140 HD13 LEU 23 HD13 LEU 23 13.203 3.206 -3.195 141 HD21 LEU 23 HD21 LEU 23 16.482 4.642 -3.792 142 HD22 LEU 23 HD22 LEU 23 16.018 5.510 -2.328 143 HD23 LEU 23 HD23 LEU 23 15.983 6.331 -3.890 144 H ALA 24 H ALA 24 15.981 4.616 -7.373 145 HA ALA 24 HA ALA 24 14.229 3.964 -9.536 146 HB1 ALA 24 HB1 ALA 24 16.359 6.045 -10.002 147 HB2 ALA 24 HB2 ALA 24 15.517 5.176 -11.286 148 HB3 ALA 24 HB3 ALA 24 14.617 6.235 -10.200 149 H CYS 25 H CYS 25 15.152 2.483 -11.011 150 HA CYS 25 HA CYS 25 17.520 1.138 -9.948 151 HB2 CYS 25 HB2 CYS 25 15.221 0.023 -10.569 152 HB3 CYS 25 HB3 CYS 25 15.877 0.048 -12.202 153 H SER 26 H SER 26 19.424 1.604 -10.804 154 HA SER 26 HA SER 26 19.557 2.624 -13.547 155 HB2 SER 26 HB2 SER 26 20.777 3.498 -11.242 156 HB3 SER 26 HB3 SER 26 22.056 2.557 -12.010 157 HG SER 26 HG SER 26 22.246 4.049 -13.476 158 H THR 27 H THR 27 20.739 1.654 -15.143 159 HA THR 27 HA THR 27 21.241 -1.159 -14.842 160 HB THR 27 HB THR 27 22.091 0.411 -17.253 161 HG1 THR 27 HG1 THR 27 19.432 -0.264 -16.487 162 HG21 THR 27 HG21 THR 27 22.601 -1.818 -17.576 163 HG22 THR 27 HG22 THR 27 20.979 -1.736 -18.264 164 HG23 THR 27 HG23 THR 27 21.218 -2.380 -16.640 165 H LYS 28 H LYS 28 22.999 1.423 -13.921 166 HA LYS 28 HA LYS 28 25.600 0.438 -14.784 167 HB2 LYS 28 HB2 LYS 28 24.535 2.951 -13.745 168 HB3 LYS 28 HB3 LYS 28 26.056 2.494 -12.989 169 HG2 LYS 28 HG2 LYS 28 27.247 2.711 -14.925 170 HG3 LYS 28 HG3 LYS 28 25.855 2.357 -15.951 171 HD2 LYS 28 HD2 LYS 28 26.160 4.625 -16.302 172 HD3 LYS 28 HD3 LYS 28 24.935 4.607 -15.031 173 HE2 LYS 28 HE2 LYS 28 26.551 5.102 -13.357 174 HE3 LYS 28 HE3 LYS 28 27.886 4.828 -14.476 175 HZ1 LYS 28 HZ1 LYS 28 25.928 7.056 -14.542 176 HZ2 LYS 28 HZ2 LYS 28 27.048 6.751 -15.772 177 HZ3 LYS 28 HZ3 LYS 28 27.586 7.162 -14.222 178 H HIS 29 H HIS 29 23.883 1.063 -11.730 179 HA HIS 29 HA HIS 29 25.829 -0.653 -10.350 180 HB2 HIS 29 HB2 HIS 29 23.892 1.424 -9.322 181 HB3 HIS 29 HB3 HIS 29 24.786 0.337 -8.263 182 HD1 HIS 29 HD1 HIS 29 27.501 0.515 -9.889 183 HD2 HIS 29 HD2 HIS 29 25.216 3.727 -8.576 184 HE1 HIS 29 HE1 HIS 29 29.093 2.456 -9.741 185 H LYS 30 H LYS 30 22.591 -0.505 -11.445 186 HA LYS 30 HA LYS 30 20.833 -1.942 -11.317 187 HB2 LYS 30 HB2 LYS 30 23.174 -3.692 -10.706 188 HB3 LYS 30 HB3 LYS 30 21.558 -4.343 -10.465 189 HG2 LYS 30 HG2 LYS 30 21.184 -3.420 -12.900 190 HG3 LYS 30 HG3 LYS 30 22.941 -3.572 -12.979 191 HD2 LYS 30 HD2 LYS 30 21.169 -5.818 -12.050 192 HD3 LYS 30 HD3 LYS 30 21.576 -5.577 -13.751 193 HE2 LYS 30 HE2 LYS 30 23.241 -7.023 -13.146 194 HE3 LYS 30 HE3 LYS 30 24.031 -5.486 -12.797 195 HZ1 LYS 30 HZ1 LYS 30 22.484 -6.822 -10.685 196 HZ2 LYS 30 HZ2 LYS 30 23.808 -5.778 -10.547 197 HZ3 LYS 30 HZ3 LYS 30 24.041 -7.378 -11.044 198 H TRP 31 H TRP 31 20.479 -0.319 -9.416 199 HA TRP 31 HA TRP 31 19.273 -1.769 -7.313 200 HB2 TRP 31 HB2 TRP 31 20.636 -1.248 -5.450 201 HB3 TRP 31 HB3 TRP 31 21.742 -1.856 -6.679 202 HD1 TRP 31 HD1 TRP 31 22.020 0.874 -8.356 203 HE1 TRP 31 HE1 TRP 31 23.396 2.806 -7.357 204 HE3 TRP 31 HE3 TRP 31 21.868 -0.485 -3.430 205 HZ2 TRP 31 HZ2 TRP 31 24.298 3.642 -4.816 206 HZ3 TRP 31 HZ3 TRP 31 23.013 0.935 -1.779 207 HH2 TRP 31 HH2 TRP 31 24.203 2.955 -2.460 208 H CYS 32 H CYS 32 18.127 -0.393 -5.812 209 HA CYS 32 HA CYS 32 17.035 1.897 -7.042 210 HB2 CYS 32 HB2 CYS 32 16.869 1.042 -4.144 211 HB3 CYS 32 HB3 CYS 32 15.817 2.214 -4.932 212 H LYS 33 H LYS 33 18.591 3.422 -7.497 213 HA LYS 33 HA LYS 33 20.126 4.528 -5.257 214 HB2 LYS 33 HB2 LYS 33 21.351 5.766 -7.078 215 HB3 LYS 33 HB3 LYS 33 21.507 4.015 -7.130 216 HG2 LYS 33 HG2 LYS 33 20.369 3.830 -9.077 217 HG3 LYS 33 HG3 LYS 33 19.320 5.205 -8.724 218 HD2 LYS 33 HD2 LYS 33 20.718 5.850 -10.535 219 HD3 LYS 33 HD3 LYS 33 21.319 6.688 -9.102 220 HE2 LYS 33 HE2 LYS 33 23.212 5.373 -8.966 221 HE3 LYS 33 HE3 LYS 33 22.476 4.040 -9.854 222 HZ1 LYS 33 HZ1 LYS 33 23.172 4.865 -11.787 223 HZ2 LYS 33 HZ2 LYS 33 24.200 5.860 -10.884 224 HZ3 LYS 33 HZ3 LYS 33 22.701 6.445 -11.406 225 H TYR 34 H TYR 34 19.977 6.655 -4.632 226 HA TYR 34 HA TYR 34 17.507 7.937 -4.868 227 HB2 TYR 34 HB2 TYR 34 20.212 8.807 -3.908 228 HB3 TYR 34 HB3 TYR 34 18.907 9.982 -4.035 229 HD1 TYR 34 HD1 TYR 34 16.565 8.796 -3.063 230 HD2 TYR 34 HD2 TYR 34 20.551 8.104 -1.745 231 HE1 TYR 34 HE1 TYR 34 15.710 8.090 -0.868 232 HE2 TYR 34 HE2 TYR 34 19.707 7.395 0.453 233 HH TYR 34 HH TYR 34 16.560 6.582 1.040 234 H GLU 35 H GLU 35 16.635 9.105 -6.438 235 HA GLU 35 HA GLU 35 18.225 9.845 -8.741 236 HB2 GLU 35 HB2 GLU 35 15.301 9.813 -8.101 237 HB3 GLU 35 HB3 GLU 35 15.877 10.767 -9.461 238 HG2 GLU 35 HG2 GLU 35 17.039 8.612 -10.223 239 HG3 GLU 35 HG3 GLU 35 15.975 7.802 -9.073 240 H LEU 36 H LEU 36 19.433 11.624 -8.519 241 HA LEU 36 HA LEU 36 18.399 13.919 -7.046 242 HB2 LEU 36 HB2 LEU 36 21.084 13.155 -8.129 243 HB3 LEU 36 HB3 LEU 36 20.746 14.819 -7.658 244 HG LEU 36 HG LEU 36 20.033 13.722 -5.391 245 HD11 LEU 36 HD11 LEU 36 21.624 11.768 -4.959 246 HD12 LEU 36 HD12 LEU 36 21.681 11.593 -6.713 247 HD13 LEU 36 HD13 LEU 36 20.145 11.437 -5.861 248 HD21 LEU 36 HD21 LEU 36 22.938 13.917 -6.179 249 HD22 LEU 36 HD22 LEU 36 22.271 14.052 -4.551 250 HD23 LEU 36 HD23 LEU 36 21.910 15.287 -5.759 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.586 0.236 0.615 2 HA2 GLY 1 HA2 GLY 1 1.042 -0.668 -1.586 3 HA3 GLY 1 HA3 GLY 1 2.245 0.491 -2.132 4 H ALA 2 H ALA 2 3.567 -0.856 -3.259 5 HA ALA 2 HA ALA 2 5.220 -2.649 -1.675 6 HB1 ALA 2 HB1 ALA 2 4.537 -3.982 -4.144 7 HB2 ALA 2 HB2 ALA 2 4.482 -4.583 -2.487 8 HB3 ALA 2 HB3 ALA 2 3.109 -3.697 -3.149 9 H CYS 3 H CYS 3 7.133 -1.714 -2.059 10 HA CYS 3 HA CYS 3 8.102 -1.647 -4.804 11 HB2 CYS 3 HB2 CYS 3 9.025 0.665 -4.471 12 HB3 CYS 3 HB3 CYS 3 7.270 0.593 -4.594 13 H LEU 4 H LEU 4 10.517 -0.585 -4.569 14 HA LEU 4 HA LEU 4 11.803 -2.172 -2.445 15 HB2 LEU 4 HB2 LEU 4 12.900 -1.394 -5.143 16 HB3 LEU 4 HB3 LEU 4 13.736 -2.356 -3.926 17 HG LEU 4 HG LEU 4 11.180 -3.221 -5.267 18 HD11 LEU 4 HD11 LEU 4 12.413 -4.470 -6.812 19 HD12 LEU 4 HD12 LEU 4 13.924 -4.235 -5.933 20 HD13 LEU 4 HD13 LEU 4 13.192 -2.887 -6.804 21 HD21 LEU 4 HD21 LEU 4 11.328 -4.493 -3.363 22 HD22 LEU 4 HD22 LEU 4 13.090 -4.435 -3.327 23 HD23 LEU 4 HD23 LEU 4 12.266 -5.477 -4.487 24 H GLY 5 H GLY 5 12.642 -0.976 -0.876 25 HA2 GLY 5 HA2 GLY 5 13.005 1.829 -1.069 26 HA3 GLY 5 HA3 GLY 5 13.555 0.806 0.250 27 H PHE 6 H PHE 6 15.250 2.663 -0.090 28 HA PHE 6 HA PHE 6 17.112 2.407 -2.206 29 HB2 PHE 6 HB2 PHE 6 16.909 4.467 -0.896 30 HB3 PHE 6 HB3 PHE 6 17.466 3.619 0.543 31 HD1 PHE 6 HD1 PHE 6 19.804 2.857 0.702 32 HD2 PHE 6 HD2 PHE 6 18.431 5.243 -2.544 33 HE1 PHE 6 HE1 PHE 6 22.132 3.415 0.133 34 HE2 PHE 6 HE2 PHE 6 20.757 5.804 -3.119 35 HZ PHE 6 HZ PHE 6 22.611 4.889 -1.781 36 H GLY 7 H GLY 7 18.881 1.160 -2.449 37 HA2 GLY 7 HA2 GLY 7 20.666 -0.208 -1.802 38 HA3 GLY 7 HA3 GLY 7 20.016 -0.247 -0.170 39 H LYS 8 H LYS 8 17.764 -0.885 -2.659 40 HA LYS 8 HA LYS 8 17.750 -3.718 -1.895 41 HB2 LYS 8 HB2 LYS 8 15.628 -2.048 -3.257 42 HB3 LYS 8 HB3 LYS 8 15.459 -3.744 -2.824 43 HG2 LYS 8 HG2 LYS 8 15.982 -1.553 -0.831 44 HG3 LYS 8 HG3 LYS 8 14.374 -2.148 -1.249 45 HD2 LYS 8 HD2 LYS 8 16.447 -4.123 -0.437 46 HD3 LYS 8 HD3 LYS 8 15.715 -3.115 0.814 47 HE2 LYS 8 HE2 LYS 8 13.589 -3.983 0.439 48 HE3 LYS 8 HE3 LYS 8 14.006 -4.568 -1.171 49 HZ1 LYS 8 HZ1 LYS 8 13.801 -6.344 0.512 50 HZ2 LYS 8 HZ2 LYS 8 15.115 -5.683 1.347 51 HZ3 LYS 8 HZ3 LYS 8 15.327 -6.296 -0.215 52 H SER 9 H SER 9 17.615 -5.361 -3.460 53 HA SER 9 HA SER 9 19.053 -4.775 -5.887 54 HB2 SER 9 HB2 SER 9 17.844 -7.410 -5.022 55 HB3 SER 9 HB3 SER 9 19.111 -7.165 -6.224 56 HG SER 9 HG SER 9 19.406 -7.560 -3.639 57 H CYS 10 H CYS 10 17.966 -3.843 -7.500 58 HA CYS 10 HA CYS 10 15.312 -4.921 -8.192 59 HB2 CYS 10 HB2 CYS 10 14.894 -2.703 -9.269 60 HB3 CYS 10 HB3 CYS 10 15.103 -2.618 -7.523 61 H ASN 11 H ASN 11 14.823 -4.343 -10.625 62 HA ASN 11 HA ASN 11 17.111 -5.346 -12.181 63 HB2 ASN 11 HB2 ASN 11 14.961 -6.729 -12.008 64 HB3 ASN 11 HB3 ASN 11 14.221 -5.497 -13.026 65 HD21 ASN 11 HD21 ASN 11 14.389 -5.715 -15.145 66 HD22 ASN 11 HD22 ASN 11 15.465 -6.791 -15.964 67 HA PRO 12 HA PRO 12 17.222 -1.491 -14.326 68 HB2 PRO 12 HB2 PRO 12 18.672 -2.295 -16.476 69 HB3 PRO 12 HB3 PRO 12 19.383 -2.043 -14.877 70 HG2 PRO 12 HG2 PRO 12 18.534 -4.595 -16.193 71 HG3 PRO 12 HG3 PRO 12 19.998 -4.254 -15.251 72 HD2 PRO 12 HD2 PRO 12 17.856 -5.538 -14.203 73 HD3 PRO 12 HD3 PRO 12 18.905 -4.482 -13.234 74 H SER 13 H SER 13 16.426 -4.425 -16.170 75 HA SER 13 HA SER 13 15.239 -3.112 -18.362 76 HB2 SER 13 HB2 SER 13 15.977 -5.610 -18.051 77 HB3 SER 13 HB3 SER 13 14.323 -5.828 -17.481 78 HG SER 13 HG SER 13 14.975 -5.972 -19.901 79 H ASN 14 H ASN 14 14.095 -3.835 -15.185 80 HA ASN 14 HA ASN 14 11.557 -2.533 -15.823 81 HB2 ASN 14 HB2 ASN 14 11.456 -5.158 -15.816 82 HB3 ASN 14 HB3 ASN 14 11.483 -4.959 -14.066 83 HD21 ASN 14 HD21 ASN 14 9.553 -5.124 -16.762 84 HD22 ASN 14 HD22 ASN 14 8.099 -4.472 -16.095 85 H ASP 15 H ASP 15 13.012 -0.911 -14.684 86 HA ASP 15 HA ASP 15 13.787 -1.048 -12.046 87 HB2 ASP 15 HB2 ASP 15 13.560 1.419 -12.003 88 HB3 ASP 15 HB3 ASP 15 14.366 0.842 -13.459 89 H GLN 16 H GLN 16 12.669 -1.575 -10.299 90 HA GLN 16 HA GLN 16 9.961 -0.484 -9.974 91 HB2 GLN 16 HB2 GLN 16 10.790 -3.314 -9.308 92 HB3 GLN 16 HB3 GLN 16 9.214 -2.604 -8.986 93 HG2 GLN 16 HG2 GLN 16 9.642 -2.190 -11.703 94 HG3 GLN 16 HG3 GLN 16 10.228 -3.822 -11.389 95 HE21 GLN 16 HE21 GLN 16 7.630 -2.176 -12.363 96 HE22 GLN 16 HE22 GLN 16 6.368 -3.228 -11.830 97 H CYS 17 H CYS 17 11.169 1.098 -8.697 98 HA CYS 17 HA CYS 17 11.868 0.064 -6.026 99 HB2 CYS 17 HB2 CYS 17 12.944 2.462 -7.519 100 HB3 CYS 17 HB3 CYS 17 13.258 2.155 -5.814 101 H CYS 18 H CYS 18 11.850 2.244 -4.503 102 HA CYS 18 HA CYS 18 9.032 2.913 -4.384 103 HB2 CYS 18 HB2 CYS 18 11.338 3.505 -2.521 104 HB3 CYS 18 HB3 CYS 18 9.676 4.001 -2.216 105 H LYS 19 H LYS 19 8.433 4.479 -5.759 106 HA LYS 19 HA LYS 19 10.085 6.622 -6.585 107 HB2 LYS 19 HB2 LYS 19 7.067 6.508 -6.668 108 HB3 LYS 19 HB3 LYS 19 8.115 7.507 -7.666 109 HG2 LYS 19 HG2 LYS 19 8.022 4.497 -7.719 110 HG3 LYS 19 HG3 LYS 19 7.228 5.568 -8.876 111 HD2 LYS 19 HD2 LYS 19 10.190 5.662 -8.360 112 HD3 LYS 19 HD3 LYS 19 9.473 4.591 -9.567 113 HE2 LYS 19 HE2 LYS 19 8.328 6.742 -10.439 114 HE3 LYS 19 HE3 LYS 19 9.563 7.585 -9.506 115 HZ1 LYS 19 HZ1 LYS 19 10.731 5.527 -11.061 116 HZ2 LYS 19 HZ2 LYS 19 11.045 7.189 -11.085 117 HZ3 LYS 19 HZ3 LYS 19 9.814 6.547 -12.052 118 H SER 20 H SER 20 7.771 6.233 -3.985 119 HA SER 20 HA SER 20 7.323 8.886 -3.295 120 HB2 SER 20 HB2 SER 20 7.665 6.804 -1.163 121 HB3 SER 20 HB3 SER 20 6.465 8.091 -1.281 122 HG SER 20 HG SER 20 5.721 6.844 -3.211 123 H SER 21 H SER 21 10.049 6.791 -2.581 124 HA SER 21 HA SER 21 11.308 8.892 -0.980 125 HB2 SER 21 HB2 SER 21 11.764 5.957 -1.328 126 HB3 SER 21 HB3 SER 21 13.116 6.967 -0.815 127 HG SER 21 HG SER 21 12.074 7.459 1.024 128 H SER 22 H SER 22 10.941 8.838 -3.997 129 HA SER 22 HA SER 22 12.108 9.364 -5.883 130 HB2 SER 22 HB2 SER 22 13.662 10.670 -3.679 131 HB3 SER 22 HB3 SER 22 14.283 10.730 -5.328 132 HG SER 22 HG SER 22 11.604 11.405 -4.856 133 H LEU 23 H LEU 23 12.428 6.858 -5.730 134 HA LEU 23 HA LEU 23 15.321 6.303 -5.811 135 HB2 LEU 23 HB2 LEU 23 13.016 4.475 -5.165 136 HB3 LEU 23 HB3 LEU 23 14.670 3.922 -5.419 137 HG LEU 23 HG LEU 23 13.704 5.727 -3.202 138 HD11 LEU 23 HD11 LEU 23 13.194 3.199 -3.192 139 HD12 LEU 23 HD12 LEU 23 13.924 3.923 -1.760 140 HD13 LEU 23 HD13 LEU 23 14.922 3.010 -2.892 141 HD21 LEU 23 HD21 LEU 23 15.949 6.343 -3.894 142 HD22 LEU 23 HD22 LEU 23 16.462 4.659 -3.796 143 HD23 LEU 23 HD23 LEU 23 15.991 5.523 -2.333 144 H ALA 24 H ALA 24 15.967 4.603 -7.364 145 HA ALA 24 HA ALA 24 14.229 3.934 -9.534 146 HB1 ALA 24 HB1 ALA 24 16.357 6.017 -9.999 147 HB2 ALA 24 HB2 ALA 24 15.525 5.139 -11.283 148 HB3 ALA 24 HB3 ALA 24 14.616 6.202 -10.209 149 H CYS 25 H CYS 25 15.164 2.447 -10.996 150 HA CYS 25 HA CYS 25 17.527 1.111 -9.911 151 HB2 CYS 25 HB2 CYS 25 15.238 -0.014 -10.539 152 HB3 CYS 25 HB3 CYS 25 15.897 0.014 -12.171 153 H SER 26 H SER 26 19.426 1.659 -10.737 154 HA SER 26 HA SER 26 19.583 2.656 -13.480 155 HB2 SER 26 HB2 SER 26 20.774 3.547 -11.192 156 HB3 SER 26 HB3 SER 26 22.055 2.547 -11.877 157 HG SER 26 HG SER 26 20.883 4.881 -12.874 158 H THR 27 H THR 27 20.748 1.685 -15.083 159 HA THR 27 HA THR 27 21.245 -1.131 -14.795 160 HB THR 27 HB THR 27 22.134 0.384 -17.213 161 HG1 THR 27 HG1 THR 27 19.491 0.124 -16.273 162 HG21 THR 27 HG21 THR 27 21.378 -2.343 -16.487 163 HG22 THR 27 HG22 THR 27 22.374 -1.762 -17.822 164 HG23 THR 27 HG23 THR 27 20.617 -1.778 -17.974 165 H LYS 28 H LYS 28 23.012 1.442 -13.869 166 HA LYS 28 HA LYS 28 25.607 0.447 -14.745 167 HB2 LYS 28 HB2 LYS 28 24.558 2.967 -13.692 168 HB3 LYS 28 HB3 LYS 28 26.097 2.506 -12.976 169 HG2 LYS 28 HG2 LYS 28 27.238 2.720 -14.944 170 HG3 LYS 28 HG3 LYS 28 25.817 2.373 -15.932 171 HD2 LYS 28 HD2 LYS 28 25.920 4.606 -16.310 172 HD3 LYS 28 HD3 LYS 28 25.008 4.661 -14.799 173 HE2 LYS 28 HE2 LYS 28 26.924 5.207 -13.544 174 HE3 LYS 28 HE3 LYS 28 28.011 4.755 -14.856 175 HZ1 LYS 28 HZ1 LYS 28 27.776 7.172 -14.589 176 HZ2 LYS 28 HZ2 LYS 28 26.127 7.048 -14.943 177 HZ3 LYS 28 HZ3 LYS 28 27.276 6.645 -16.117 178 H HIS 29 H HIS 29 23.904 1.095 -11.688 179 HA HIS 29 HA HIS 29 25.851 -0.614 -10.304 180 HB2 HIS 29 HB2 HIS 29 23.905 1.456 -9.281 181 HB3 HIS 29 HB3 HIS 29 24.810 0.380 -8.220 182 HD1 HIS 29 HD1 HIS 29 27.515 0.574 -9.871 183 HD2 HIS 29 HD2 HIS 29 25.218 3.768 -8.533 184 HE1 HIS 29 HE1 HIS 29 29.094 2.527 -9.732 185 H LYS 30 H LYS 30 22.610 -0.479 -11.394 186 HA LYS 30 HA LYS 30 20.858 -1.923 -11.262 187 HB2 LYS 30 HB2 LYS 30 23.209 -3.659 -10.658 188 HB3 LYS 30 HB3 LYS 30 21.599 -4.318 -10.396 189 HG2 LYS 30 HG2 LYS 30 21.245 -3.346 -12.851 190 HG3 LYS 30 HG3 LYS 30 22.986 -3.631 -12.915 191 HD2 LYS 30 HD2 LYS 30 21.410 -5.822 -11.750 192 HD3 LYS 30 HD3 LYS 30 21.095 -5.505 -13.458 193 HE2 LYS 30 HE2 LYS 30 23.566 -5.602 -13.841 194 HE3 LYS 30 HE3 LYS 30 23.748 -6.127 -12.168 195 HZ1 LYS 30 HZ1 LYS 30 23.281 -8.188 -12.774 196 HZ2 LYS 30 HZ2 LYS 30 23.202 -7.699 -14.391 197 HZ3 LYS 30 HZ3 LYS 30 21.801 -7.714 -13.442 198 H TRP 31 H TRP 31 20.501 -0.295 -9.364 199 HA TRP 31 HA TRP 31 19.303 -1.744 -7.255 200 HB2 TRP 31 HB2 TRP 31 20.668 -1.215 -5.396 201 HB3 TRP 31 HB3 TRP 31 21.777 -1.815 -6.626 202 HD1 TRP 31 HD1 TRP 31 22.049 0.905 -8.308 203 HE1 TRP 31 HE1 TRP 31 23.406 2.851 -7.310 204 HE3 TRP 31 HE3 TRP 31 21.874 -0.428 -3.375 205 HZ2 TRP 31 HZ2 TRP 31 24.287 3.708 -4.769 206 HZ3 TRP 31 HZ3 TRP 31 23.000 1.009 -1.725 207 HH2 TRP 31 HH2 TRP 31 24.182 3.033 -2.410 208 H CYS 32 H CYS 32 18.157 -0.367 -5.754 209 HA CYS 32 HA CYS 32 17.050 1.913 -6.991 210 HB2 CYS 32 HB2 CYS 32 16.898 1.069 -4.088 211 HB3 CYS 32 HB3 CYS 32 15.839 2.233 -4.877 212 H LYS 33 H LYS 33 18.597 3.443 -7.458 213 HA LYS 33 HA LYS 33 20.130 4.568 -5.227 214 HB2 LYS 33 HB2 LYS 33 21.349 5.798 -7.058 215 HB3 LYS 33 HB3 LYS 33 21.514 4.048 -7.095 216 HG2 LYS 33 HG2 LYS 33 20.359 3.838 -9.034 217 HG3 LYS 33 HG3 LYS 33 19.328 5.232 -8.702 218 HD2 LYS 33 HD2 LYS 33 20.805 5.719 -10.560 219 HD3 LYS 33 HD3 LYS 33 21.235 6.722 -9.173 220 HE2 LYS 33 HE2 LYS 33 23.213 5.628 -8.823 221 HE3 LYS 33 HE3 LYS 33 22.618 4.110 -9.493 222 HZ1 LYS 33 HZ1 LYS 33 23.490 4.623 -11.448 223 HZ2 LYS 33 HZ2 LYS 33 24.196 5.996 -10.757 224 HZ3 LYS 33 HZ3 LYS 33 22.678 6.106 -11.496 225 H TYR 34 H TYR 34 20.028 6.735 -4.674 226 HA TYR 34 HA TYR 34 17.544 7.998 -4.857 227 HB2 TYR 34 HB2 TYR 34 20.278 8.934 -4.042 228 HB3 TYR 34 HB3 TYR 34 18.935 10.070 -4.119 229 HD1 TYR 34 HD1 TYR 34 16.683 8.631 -3.068 230 HD2 TYR 34 HD2 TYR 34 20.750 8.483 -1.827 231 HE1 TYR 34 HE1 TYR 34 15.966 7.940 -0.819 232 HE2 TYR 34 HE2 TYR 34 20.044 7.791 0.425 233 HH TYR 34 HH TYR 34 18.178 6.784 1.541 234 H GLU 35 H GLU 35 16.608 9.104 -6.436 235 HA GLU 35 HA GLU 35 18.049 9.719 -8.849 236 HB2 GLU 35 HB2 GLU 35 15.200 9.898 -7.960 237 HB3 GLU 35 HB3 GLU 35 15.707 10.810 -9.376 238 HG2 GLU 35 HG2 GLU 35 16.714 8.501 -10.107 239 HG3 GLU 35 HG3 GLU 35 15.515 7.870 -8.980 240 H LEU 36 H LEU 36 19.411 11.400 -8.770 241 HA LEU 36 HA LEU 36 18.631 13.833 -7.353 242 HB2 LEU 36 HB2 LEU 36 21.243 13.223 -8.721 243 HB3 LEU 36 HB3 LEU 36 20.914 14.527 -7.582 244 HG LEU 36 HG LEU 36 20.852 11.597 -6.869 245 HD11 LEU 36 HD11 LEU 36 22.999 12.150 -5.684 246 HD12 LEU 36 HD12 LEU 36 23.041 13.645 -6.618 247 HD13 LEU 36 HD13 LEU 36 23.098 12.087 -7.443 248 HD21 LEU 36 HD21 LEU 36 19.794 13.812 -5.567 249 HD22 LEU 36 HD22 LEU 36 21.324 13.503 -4.746 250 HD23 LEU 36 HD23 LEU 36 20.114 12.225 -4.866 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.666 1.210 -0.147 2 HA2 GLY 1 HA2 GLY 1 1.573 -0.267 -0.147 3 HA3 GLY 1 HA3 GLY 1 1.549 0.091 -1.867 4 H ALA 2 H ALA 2 3.565 -0.496 -3.078 5 HA ALA 2 HA ALA 2 5.111 -2.663 -1.899 6 HB1 ALA 2 HB1 ALA 2 4.589 -4.251 -3.648 7 HB2 ALA 2 HB2 ALA 2 3.107 -3.757 -2.828 8 HB3 ALA 2 HB3 ALA 2 3.502 -3.092 -4.413 9 H CYS 3 H CYS 3 7.100 -1.899 -2.246 10 HA CYS 3 HA CYS 3 8.045 -1.591 -4.947 11 HB2 CYS 3 HB2 CYS 3 8.968 0.704 -4.546 12 HB3 CYS 3 HB3 CYS 3 7.213 0.645 -4.666 13 H LEU 4 H LEU 4 10.461 -0.540 -4.656 14 HA LEU 4 HA LEU 4 11.724 -2.176 -2.555 15 HB2 LEU 4 HB2 LEU 4 12.835 -1.399 -5.247 16 HB3 LEU 4 HB3 LEU 4 13.658 -2.376 -4.033 17 HG LEU 4 HG LEU 4 11.094 -3.203 -5.386 18 HD11 LEU 4 HD11 LEU 4 13.816 -4.272 -6.043 19 HD12 LEU 4 HD12 LEU 4 13.137 -2.889 -6.901 20 HD13 LEU 4 HD13 LEU 4 12.308 -4.445 -6.941 21 HD21 LEU 4 HD21 LEU 4 12.141 -5.476 -4.609 22 HD22 LEU 4 HD22 LEU 4 11.216 -4.481 -3.484 23 HD23 LEU 4 HD23 LEU 4 12.980 -4.452 -3.444 24 H GLY 5 H GLY 5 12.565 -0.995 -0.976 25 HA2 GLY 5 HA2 GLY 5 12.968 1.804 -1.153 26 HA3 GLY 5 HA3 GLY 5 13.504 0.767 0.161 27 H PHE 6 H PHE 6 15.224 2.602 -0.162 28 HA PHE 6 HA PHE 6 17.085 2.334 -2.279 29 HB2 PHE 6 HB2 PHE 6 16.904 4.392 -0.962 30 HB3 PHE 6 HB3 PHE 6 17.447 3.532 0.476 31 HD1 PHE 6 HD2 PHE 6 18.470 4.767 -2.841 32 HD2 PHE 6 HD1 PHE 6 19.744 3.130 0.876 33 HE1 PHE 6 HE2 PHE 6 20.804 5.301 -3.410 34 HE2 PHE 6 HE1 PHE 6 22.080 3.663 0.313 35 HZ PHE 6 HZ PHE 6 22.612 4.749 -1.832 36 H GLY 7 H GLY 7 18.832 1.061 -2.527 37 HA2 GLY 7 HA2 GLY 7 20.604 -0.327 -1.879 38 HA3 GLY 7 HA3 GLY 7 19.946 -0.369 -0.250 39 H LYS 8 H LYS 8 17.698 -0.965 -2.752 40 HA LYS 8 HA LYS 8 17.647 -3.802 -2.005 41 HB2 LYS 8 HB2 LYS 8 15.552 -2.104 -3.373 42 HB3 LYS 8 HB3 LYS 8 15.362 -3.798 -2.942 43 HG2 LYS 8 HG2 LYS 8 15.895 -1.609 -0.948 44 HG3 LYS 8 HG3 LYS 8 14.285 -2.196 -1.370 45 HD2 LYS 8 HD2 LYS 8 14.564 -4.164 -0.264 46 HD3 LYS 8 HD3 LYS 8 16.298 -4.227 -0.592 47 HE2 LYS 8 HE2 LYS 8 16.824 -2.911 1.217 48 HE3 LYS 8 HE3 LYS 8 15.252 -2.113 1.229 49 HZ1 LYS 8 HZ1 LYS 8 15.702 -4.941 2.012 50 HZ2 LYS 8 HZ2 LYS 8 14.255 -4.075 2.141 51 HZ3 LYS 8 HZ3 LYS 8 15.580 -3.654 3.104 52 H SER 9 H SER 9 17.401 -5.427 -3.613 53 HA SER 9 HA SER 9 18.897 -4.852 -6.017 54 HB2 SER 9 HB2 SER 9 18.450 -7.379 -6.399 55 HB3 SER 9 HB3 SER 9 19.506 -6.906 -5.068 56 HG SER 9 HG SER 9 18.139 -7.774 -3.741 57 H CYS 10 H CYS 10 17.827 -3.876 -7.617 58 HA CYS 10 HA CYS 10 15.161 -4.907 -8.335 59 HB2 CYS 10 HB2 CYS 10 14.781 -2.668 -9.384 60 HB3 CYS 10 HB3 CYS 10 14.979 -2.611 -7.636 61 H ASN 11 H ASN 11 14.690 -4.285 -10.762 62 HA ASN 11 HA ASN 11 16.963 -5.317 -12.321 63 HB2 ASN 11 HB2 ASN 11 14.642 -6.536 -12.146 64 HB3 ASN 11 HB3 ASN 11 14.146 -5.342 -13.341 65 HD21 ASN 11 HD21 ASN 11 14.259 -6.057 -15.329 66 HD22 ASN 11 HD22 ASN 11 15.416 -7.180 -15.950 67 HA PRO 12 HA PRO 12 17.212 -1.432 -14.398 68 HB2 PRO 12 HB2 PRO 12 18.642 -2.245 -16.558 69 HB3 PRO 12 HB3 PRO 12 19.355 -2.048 -14.953 70 HG2 PRO 12 HG2 PRO 12 18.424 -4.544 -16.319 71 HG3 PRO 12 HG3 PRO 12 19.895 -4.272 -15.366 72 HD2 PRO 12 HD2 PRO 12 17.707 -5.500 -14.348 73 HD3 PRO 12 HD3 PRO 12 18.787 -4.499 -13.358 74 H SER 13 H SER 13 16.317 -4.303 -16.293 75 HA SER 13 HA SER 13 15.137 -2.847 -18.427 76 HB2 SER 13 HB2 SER 13 15.952 -5.322 -18.347 77 HB3 SER 13 HB3 SER 13 14.334 -5.657 -17.730 78 HG SER 13 HG SER 13 13.462 -4.992 -19.614 79 H ASN 14 H ASN 14 14.055 -3.751 -15.294 80 HA ASN 14 HA ASN 14 11.428 -2.596 -15.884 81 HB2 ASN 14 HB2 ASN 14 11.537 -5.230 -15.798 82 HB3 ASN 14 HB3 ASN 14 11.553 -4.962 -14.057 83 HD21 ASN 14 HD21 ASN 14 9.848 -3.533 -16.826 84 HD22 ASN 14 HD22 ASN 14 8.268 -3.678 -16.142 85 H ASP 15 H ASP 15 12.831 -0.860 -14.823 86 HA ASP 15 HA ASP 15 13.657 -0.883 -12.197 87 HB2 ASP 15 HB2 ASP 15 14.227 1.044 -13.377 88 HB3 ASP 15 HB3 ASP 15 12.586 1.286 -13.969 89 H GLN 16 H GLN 16 12.596 -1.436 -10.422 90 HA GLN 16 HA GLN 16 9.862 -0.441 -10.042 91 HB2 GLN 16 HB2 GLN 16 10.762 -3.261 -9.431 92 HB3 GLN 16 HB3 GLN 16 9.177 -2.588 -9.074 93 HG2 GLN 16 HG2 GLN 16 9.817 -2.238 -11.854 94 HG3 GLN 16 HG3 GLN 16 9.979 -3.929 -11.384 95 HE21 GLN 16 HE21 GLN 16 8.185 -5.100 -10.886 96 HE22 GLN 16 HE22 GLN 16 6.573 -4.504 -11.063 97 H CYS 17 H CYS 17 11.069 1.147 -8.767 98 HA CYS 17 HA CYS 17 11.825 0.090 -6.122 99 HB2 CYS 17 HB2 CYS 17 12.875 2.491 -7.625 100 HB3 CYS 17 HB3 CYS 17 13.193 2.208 -5.917 101 H CYS 18 H CYS 18 11.816 2.247 -4.572 102 HA CYS 18 HA CYS 18 8.997 2.910 -4.418 103 HB2 CYS 18 HB2 CYS 18 11.317 3.450 -2.558 104 HB3 CYS 18 HB3 CYS 18 9.664 3.960 -2.233 105 H LYS 19 H LYS 19 8.418 4.490 -5.795 106 HA LYS 19 HA LYS 19 10.061 6.650 -6.574 107 HB2 LYS 19 HB2 LYS 19 7.042 6.517 -6.646 108 HB3 LYS 19 HB3 LYS 19 8.070 7.571 -7.608 109 HG2 LYS 19 HG2 LYS 19 8.135 4.569 -7.774 110 HG3 LYS 19 HG3 LYS 19 7.156 5.596 -8.824 111 HD2 LYS 19 HD2 LYS 19 9.380 6.809 -9.328 112 HD3 LYS 19 HD3 LYS 19 10.142 5.366 -8.655 113 HE2 LYS 19 HE2 LYS 19 8.129 5.331 -10.899 114 HE3 LYS 19 HE3 LYS 19 9.875 5.337 -11.139 115 HZ1 LYS 19 HZ1 LYS 19 8.414 3.263 -9.599 116 HZ2 LYS 19 HZ2 LYS 19 10.051 3.247 -10.024 117 HZ3 LYS 19 HZ3 LYS 19 8.865 3.100 -11.221 118 H SER 20 H SER 20 7.753 6.222 -3.973 119 HA SER 20 HA SER 20 7.309 8.857 -3.229 120 HB2 SER 20 HB2 SER 20 6.483 8.023 -1.216 121 HB3 SER 20 HB3 SER 20 6.343 6.621 -2.276 122 HG SER 20 HG SER 20 8.163 5.754 -1.356 123 H SER 21 H SER 21 10.049 6.760 -2.562 124 HA SER 21 HA SER 21 11.319 8.853 -0.959 125 HB2 SER 21 HB2 SER 21 11.930 5.938 -1.415 126 HB3 SER 21 HB3 SER 21 13.104 7.019 -0.665 127 HG SER 21 HG SER 21 11.775 7.302 1.041 128 H SER 22 H SER 22 10.928 8.807 -3.976 129 HA SER 22 HA SER 22 12.079 9.341 -5.869 130 HB2 SER 22 HB2 SER 22 13.580 10.676 -3.660 131 HB3 SER 22 HB3 SER 22 14.289 10.687 -5.274 132 HG SER 22 HG SER 22 12.133 12.063 -4.296 133 H LEU 23 H LEU 23 12.413 6.854 -5.781 134 HA LEU 23 HA LEU 23 15.307 6.304 -5.861 135 HB2 LEU 23 HB2 LEU 23 13.013 4.462 -5.216 136 HB3 LEU 23 HB3 LEU 23 14.668 3.919 -5.481 137 HG LEU 23 HG LEU 23 13.718 5.716 -3.251 138 HD11 LEU 23 HD11 LEU 23 13.921 3.904 -1.817 139 HD12 LEU 23 HD12 LEU 23 14.900 2.982 -2.957 140 HD13 LEU 23 HD13 LEU 23 13.174 3.195 -3.249 141 HD21 LEU 23 HD21 LEU 23 16.460 4.616 -3.859 142 HD22 LEU 23 HD22 LEU 23 16.005 5.476 -2.388 143 HD23 LEU 23 HD23 LEU 23 15.968 6.308 -3.944 144 H ALA 24 H ALA 24 15.943 4.602 -7.424 145 HA ALA 24 HA ALA 24 14.196 3.955 -9.593 146 HB1 ALA 24 HB1 ALA 24 16.114 6.220 -9.873 147 HB2 ALA 24 HB2 ALA 24 15.820 5.164 -11.256 148 HB3 ALA 24 HB3 ALA 24 14.481 6.039 -10.514 149 H CYS 25 H CYS 25 15.121 2.474 -11.068 150 HA CYS 25 HA CYS 25 17.483 1.124 -9.999 151 HB2 CYS 25 HB2 CYS 25 15.182 0.013 -10.623 152 HB3 CYS 25 HB3 CYS 25 15.843 0.035 -12.255 153 H SER 26 H SER 26 19.392 1.565 -10.858 154 HA SER 26 HA SER 26 19.527 2.568 -13.610 155 HB2 SER 26 HB2 SER 26 20.736 3.468 -11.291 156 HB3 SER 26 HB3 SER 26 22.027 2.574 -12.093 157 HG SER 26 HG SER 26 20.477 4.336 -13.616 158 H THR 27 H THR 27 20.744 1.592 -15.178 159 HA THR 27 HA THR 27 21.275 -1.209 -14.831 160 HB THR 27 HB THR 27 22.178 0.293 -17.256 161 HG1 THR 27 HG1 THR 27 19.465 -0.410 -16.726 162 HG21 THR 27 HG21 THR 27 20.912 -2.402 -16.761 163 HG22 THR 27 HG22 THR 27 22.581 -2.076 -17.229 164 HG23 THR 27 HG23 THR 27 21.268 -1.753 -18.361 165 H LYS 28 H LYS 28 22.994 1.414 -13.935 166 HA LYS 28 HA LYS 28 25.617 0.479 -14.762 167 HB2 LYS 28 HB2 LYS 28 24.585 2.973 -14.174 168 HB3 LYS 28 HB3 LYS 28 25.542 2.596 -12.747 169 HG2 LYS 28 HG2 LYS 28 27.500 2.753 -13.850 170 HG3 LYS 28 HG3 LYS 28 26.840 2.073 -15.340 171 HD2 LYS 28 HD2 LYS 28 26.893 4.156 -16.147 172 HD3 LYS 28 HD3 LYS 28 25.517 4.484 -15.092 173 HE2 LYS 28 HE2 LYS 28 26.800 5.562 -13.527 174 HE3 LYS 28 HE3 LYS 28 28.260 4.669 -13.950 175 HZ1 LYS 28 HZ1 LYS 28 27.511 7.212 -14.794 176 HZ2 LYS 28 HZ2 LYS 28 27.444 6.212 -16.156 177 HZ3 LYS 28 HZ3 LYS 28 28.874 6.325 -15.260 178 H HIS 29 H HIS 29 23.857 0.994 -11.712 179 HA HIS 29 HA HIS 29 25.809 -0.746 -10.367 180 HB2 HIS 29 HB2 HIS 29 23.903 1.333 -9.288 181 HB3 HIS 29 HB3 HIS 29 24.792 0.217 -8.255 182 HD1 HIS 29 HD1 HIS 29 27.528 0.357 -9.742 183 HD2 HIS 29 HD2 HIS 29 25.227 3.645 -8.665 184 HE1 HIS 29 HE1 HIS 29 29.135 2.287 -9.608 185 H LYS 30 H LYS 30 22.583 -0.561 -11.466 186 HA LYS 30 HA LYS 30 20.811 -1.983 -11.360 187 HB2 LYS 30 HB2 LYS 30 23.132 -3.758 -10.742 188 HB3 LYS 30 HB3 LYS 30 21.508 -4.395 -10.519 189 HG2 LYS 30 HG2 LYS 30 21.160 -3.457 -12.950 190 HG3 LYS 30 HG3 LYS 30 22.917 -3.616 -13.017 191 HD2 LYS 30 HD2 LYS 30 21.063 -5.842 -12.184 192 HD3 LYS 30 HD3 LYS 30 21.642 -5.615 -13.836 193 HE2 LYS 30 HE2 LYS 30 23.606 -5.739 -11.591 194 HE3 LYS 30 HE3 LYS 30 22.889 -7.231 -12.196 195 HZ1 LYS 30 HZ1 LYS 30 25.079 -6.078 -13.221 196 HZ2 LYS 30 HZ2 LYS 30 23.887 -5.449 -14.242 197 HZ3 LYS 30 HZ3 LYS 30 24.066 -7.123 -14.083 198 H TRP 31 H TRP 31 20.456 -0.369 -9.452 199 HA TRP 31 HA TRP 31 19.214 -1.815 -7.370 200 HB2 TRP 31 HB2 TRP 31 20.573 -1.343 -5.491 201 HB3 TRP 31 HB3 TRP 31 21.679 -1.954 -6.719 202 HD1 TRP 31 HD1 TRP 31 22.020 0.790 -8.359 203 HE1 TRP 31 HE1 TRP 31 23.419 2.686 -7.323 204 HE3 TRP 31 HE3 TRP 31 21.794 -0.623 -3.451 205 HZ2 TRP 31 HZ2 TRP 31 24.309 3.478 -4.764 206 HZ3 TRP 31 HZ3 TRP 31 22.947 0.758 -1.772 207 HH2 TRP 31 HH2 TRP 31 24.178 2.765 -2.417 208 H CYS 32 H CYS 32 18.075 -0.436 -5.872 209 HA CYS 32 HA CYS 32 17.033 1.883 -7.082 210 HB2 CYS 32 HB2 CYS 32 16.846 1.006 -4.192 211 HB3 CYS 32 HB3 CYS 32 15.822 2.210 -4.967 212 H LYS 33 H LYS 33 18.569 3.419 -7.516 213 HA LYS 33 HA LYS 33 20.132 4.474 -5.269 214 HB2 LYS 33 HB2 LYS 33 21.373 5.711 -7.088 215 HB3 LYS 33 HB3 LYS 33 21.521 3.959 -7.129 216 HG2 LYS 33 HG2 LYS 33 20.411 3.771 -9.087 217 HG3 LYS 33 HG3 LYS 33 19.340 5.130 -8.738 218 HD2 LYS 33 HD2 LYS 33 20.799 5.704 -10.577 219 HD3 LYS 33 HD3 LYS 33 21.223 6.676 -9.166 220 HE2 LYS 33 HE2 LYS 33 23.135 5.341 -8.716 221 HE3 LYS 33 HE3 LYS 33 22.633 4.114 -9.879 222 HZ1 LYS 33 HZ1 LYS 33 23.384 6.898 -10.589 223 HZ2 LYS 33 HZ2 LYS 33 23.023 5.645 -11.667 224 HZ3 LYS 33 HZ3 LYS 33 24.417 5.563 -10.712 225 H TYR 34 H TYR 34 20.054 6.626 -4.673 226 HA TYR 34 HA TYR 34 17.597 7.939 -4.863 227 HB2 TYR 34 HB2 TYR 34 20.339 8.822 -4.010 228 HB3 TYR 34 HB3 TYR 34 19.005 9.968 -4.064 229 HD1 TYR 34 HD1 TYR 34 16.737 8.620 -3.024 230 HD2 TYR 34 HD2 TYR 34 20.802 8.219 -1.836 231 HE1 TYR 34 HE1 TYR 34 16.006 7.881 -0.795 232 HE2 TYR 34 HE2 TYR 34 20.083 7.477 0.396 233 HH TYR 34 HH TYR 34 18.354 7.186 1.771 234 H GLU 35 H GLU 35 16.700 9.082 -6.438 235 HA GLU 35 HA GLU 35 18.318 9.875 -8.727 236 HB2 GLU 35 HB2 GLU 35 15.492 9.255 -8.250 237 HB3 GLU 35 HB3 GLU 35 15.743 10.638 -9.305 238 HG2 GLU 35 HG2 GLU 35 17.344 8.218 -9.867 239 HG3 GLU 35 HG3 GLU 35 15.614 8.134 -10.197 240 H LEU 36 H LEU 36 19.314 11.777 -8.522 241 HA LEU 36 HA LEU 36 18.015 13.960 -7.087 242 HB2 LEU 36 HB2 LEU 36 20.760 13.891 -8.325 243 HB3 LEU 36 HB3 LEU 36 20.140 15.078 -7.179 244 HG LEU 36 HG LEU 36 20.655 12.167 -6.569 245 HD11 LEU 36 HD11 LEU 36 22.789 12.885 -6.578 246 HD12 LEU 36 HD12 LEU 36 22.353 13.553 -5.006 247 HD13 LEU 36 HD13 LEU 36 22.334 14.583 -6.437 248 HD21 LEU 36 HD21 LEU 36 19.552 14.456 -4.993 249 HD22 LEU 36 HD22 LEU 36 20.466 13.182 -4.185 250 HD23 LEU 36 HD23 LEU 36 18.999 12.783 -5.080 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.020 -1.027 -0.438 2 HA2 GLY 1 HA2 GLY 1 2.783 0.792 -1.220 3 HA3 GLY 1 HA3 GLY 1 3.292 0.574 0.448 4 H ALA 2 H ALA 2 3.611 -0.529 -2.713 5 HA ALA 2 HA ALA 2 5.176 -2.831 -1.770 6 HB1 ALA 2 HB1 ALA 2 3.261 -2.844 -4.100 7 HB2 ALA 2 HB2 ALA 2 4.396 -4.139 -3.716 8 HB3 ALA 2 HB3 ALA 2 3.097 -3.743 -2.591 9 H CYS 3 H CYS 3 7.172 -2.005 -2.124 10 HA CYS 3 HA CYS 3 8.067 -1.776 -4.840 11 HB2 CYS 3 HB2 CYS 3 9.011 0.535 -4.527 12 HB3 CYS 3 HB3 CYS 3 7.257 0.469 -4.659 13 H LEU 4 H LEU 4 10.489 -0.732 -4.640 14 HA LEU 4 HA LEU 4 11.786 -2.324 -2.530 15 HB2 LEU 4 HB2 LEU 4 12.871 -1.498 -5.218 16 HB3 LEU 4 HB3 LEU 4 13.720 -2.469 -4.017 17 HG LEU 4 HG LEU 4 11.164 -3.340 -5.357 18 HD11 LEU 4 HD11 LEU 4 13.234 -2.955 -6.860 19 HD12 LEU 4 HD12 LEU 4 12.366 -4.486 -6.969 20 HD13 LEU 4 HD13 LEU 4 13.874 -4.391 -6.061 21 HD21 LEU 4 HD21 LEU 4 12.262 -5.597 -4.620 22 HD22 LEU 4 HD22 LEU 4 11.346 -4.630 -3.463 23 HD23 LEU 4 HD23 LEU 4 13.109 -4.573 -3.460 24 H GLY 5 H GLY 5 12.670 -1.173 -0.953 25 HA2 GLY 5 HA2 GLY 5 12.999 1.644 -1.087 26 HA3 GLY 5 HA3 GLY 5 13.570 0.598 0.205 27 H PHE 6 H PHE 6 15.249 2.472 -0.112 28 HA PHE 6 HA PHE 6 17.092 2.270 -2.252 29 HB2 PHE 6 HB2 PHE 6 16.878 4.303 -0.893 30 HB3 PHE 6 HB3 PHE 6 17.474 3.431 0.516 31 HD1 PHE 6 HD2 PHE 6 18.394 4.735 -2.806 32 HD2 PHE 6 HD1 PHE 6 19.788 3.092 0.865 33 HE1 PHE 6 HE2 PHE 6 20.700 5.338 -3.416 34 HE2 PHE 6 HE1 PHE 6 22.096 3.692 0.261 35 HZ PHE 6 HZ PHE 6 22.555 4.817 -1.882 36 H GLY 7 H GLY 7 18.875 1.050 -2.530 37 HA2 GLY 7 HA2 GLY 7 20.671 -0.324 -1.932 38 HA3 GLY 7 HA3 GLY 7 20.046 -0.388 -0.291 39 H LYS 8 H LYS 8 17.760 -1.008 -2.753 40 HA LYS 8 HA LYS 8 17.768 -3.848 -2.021 41 HB2 LYS 8 HB2 LYS 8 15.629 -2.172 -3.348 42 HB3 LYS 8 HB3 LYS 8 15.470 -3.874 -2.936 43 HG2 LYS 8 HG2 LYS 8 15.976 -1.686 -0.932 44 HG3 LYS 8 HG3 LYS 8 14.382 -2.335 -1.326 45 HD2 LYS 8 HD2 LYS 8 14.953 -4.481 -0.484 46 HD3 LYS 8 HD3 LYS 8 16.662 -4.055 -0.370 47 HE2 LYS 8 HE2 LYS 8 15.820 -3.959 1.833 48 HE3 LYS 8 HE3 LYS 8 15.973 -2.286 1.301 49 HZ1 LYS 8 HZ1 LYS 8 13.504 -3.896 1.563 50 HZ2 LYS 8 HZ2 LYS 8 13.548 -2.455 0.678 51 HZ3 LYS 8 HZ3 LYS 8 13.891 -2.440 2.335 52 H SER 9 H SER 9 17.649 -5.479 -3.592 53 HA SER 9 HA SER 9 19.063 -4.868 -6.023 54 HB2 SER 9 HB2 SER 9 18.566 -7.429 -6.384 55 HB3 SER 9 HB3 SER 9 19.747 -6.915 -5.179 56 HG SER 9 HG SER 9 17.127 -7.871 -4.811 57 H CYS 10 H CYS 10 17.966 -3.913 -7.617 58 HA CYS 10 HA CYS 10 15.311 -4.988 -8.312 59 HB2 CYS 10 HB2 CYS 10 14.885 -2.756 -9.358 60 HB3 CYS 10 HB3 CYS 10 15.098 -2.694 -7.612 61 H ASN 11 H ASN 11 14.810 -4.375 -10.736 62 HA ASN 11 HA ASN 11 17.090 -5.361 -12.314 63 HB2 ASN 11 HB2 ASN 11 14.850 -6.674 -12.127 64 HB3 ASN 11 HB3 ASN 11 14.237 -5.463 -13.250 65 HD21 ASN 11 HD21 ASN 11 14.377 -5.972 -15.302 66 HD22 ASN 11 HD22 ASN 11 15.515 -7.064 -16.009 67 HA PRO 12 HA PRO 12 17.223 -1.475 -14.401 68 HB2 PRO 12 HB2 PRO 12 18.654 -2.257 -16.571 69 HB3 PRO 12 HB3 PRO 12 19.376 -2.038 -14.973 70 HG2 PRO 12 HG2 PRO 12 18.497 -4.560 -16.324 71 HG3 PRO 12 HG3 PRO 12 19.969 -4.249 -15.385 72 HD2 PRO 12 HD2 PRO 12 17.822 -5.530 -14.346 73 HD3 PRO 12 HD3 PRO 12 18.885 -4.499 -13.367 74 H SER 13 H SER 13 16.390 -4.372 -16.287 75 HA SER 13 HA SER 13 15.174 -2.975 -18.427 76 HB2 SER 13 HB2 SER 13 15.998 -5.415 -18.366 77 HB3 SER 13 HB3 SER 13 14.448 -5.785 -17.613 78 HG SER 13 HG SER 13 15.008 -4.913 -20.214 79 H ASN 14 H ASN 14 14.085 -3.897 -15.281 80 HA ASN 14 HA ASN 14 11.482 -2.683 -15.855 81 HB2 ASN 14 HB2 ASN 14 11.544 -5.322 -15.834 82 HB3 ASN 14 HB3 ASN 14 11.551 -5.095 -14.087 83 HD21 ASN 14 HD21 ASN 14 9.885 -3.646 -16.871 84 HD22 ASN 14 HD22 ASN 14 8.301 -3.750 -16.189 85 H ASP 15 H ASP 15 12.981 -1.030 -14.737 86 HA ASP 15 HA ASP 15 13.745 -1.152 -12.095 87 HB2 ASP 15 HB2 ASP 15 13.566 1.299 -12.065 88 HB3 ASP 15 HB3 ASP 15 14.297 0.730 -13.563 89 H GLN 16 H GLN 16 12.632 -1.640 -10.334 90 HA GLN 16 HA GLN 16 9.922 -0.555 -10.024 91 HB2 GLN 16 HB2 GLN 16 10.734 -3.393 -9.371 92 HB3 GLN 16 HB3 GLN 16 9.164 -2.674 -9.039 93 HG2 GLN 16 HG2 GLN 16 9.588 -2.248 -11.756 94 HG3 GLN 16 HG3 GLN 16 10.158 -3.888 -11.451 95 HE21 GLN 16 HE21 GLN 16 7.460 -1.820 -10.416 96 HE22 GLN 16 HE22 GLN 16 6.233 -3.012 -10.657 97 H CYS 17 H CYS 17 11.144 1.015 -8.741 98 HA CYS 17 HA CYS 17 11.827 -0.031 -6.071 99 HB2 CYS 17 HB2 CYS 17 12.918 2.373 -7.544 100 HB3 CYS 17 HB3 CYS 17 13.236 2.039 -5.844 101 H CYS 18 H CYS 18 11.822 2.150 -4.544 102 HA CYS 18 HA CYS 18 9.007 2.834 -4.429 103 HB2 CYS 18 HB2 CYS 18 11.310 3.411 -2.557 104 HB3 CYS 18 HB3 CYS 18 9.648 3.906 -2.255 105 H LYS 19 H LYS 19 8.425 4.408 -5.804 106 HA LYS 19 HA LYS 19 10.090 6.540 -6.623 107 HB2 LYS 19 HB2 LYS 19 7.071 6.482 -6.691 108 HB3 LYS 19 HB3 LYS 19 8.140 7.437 -7.710 109 HG2 LYS 19 HG2 LYS 19 8.005 4.429 -7.716 110 HG3 LYS 19 HG3 LYS 19 7.171 5.482 -8.861 111 HD2 LYS 19 HD2 LYS 19 10.138 5.667 -8.461 112 HD3 LYS 19 HD3 LYS 19 9.437 4.466 -9.549 113 HE2 LYS 19 HE2 LYS 19 8.539 6.110 -10.960 114 HE3 LYS 19 HE3 LYS 19 8.731 7.377 -9.749 115 HZ1 LYS 19 HZ1 LYS 19 10.595 6.434 -11.705 116 HZ2 LYS 19 HZ2 LYS 19 11.263 6.460 -10.151 117 HZ3 LYS 19 HZ3 LYS 19 10.605 7.871 -10.813 118 H SER 20 H SER 20 7.777 6.169 -4.018 119 HA SER 20 HA SER 20 7.361 8.823 -3.317 120 HB2 SER 20 HB2 SER 20 6.227 6.776 -2.340 121 HB3 SER 20 HB3 SER 20 7.655 6.567 -1.327 122 HG SER 20 HG SER 20 6.985 8.129 -0.095 123 H SER 21 H SER 21 10.049 6.680 -2.564 124 HA SER 21 HA SER 21 11.336 8.754 -0.963 125 HB2 SER 21 HB2 SER 21 11.273 6.256 -0.332 126 HB3 SER 21 HB3 SER 21 12.499 6.044 -1.582 127 HG SER 21 HG SER 21 12.790 7.972 0.459 128 H SER 22 H SER 22 10.955 8.703 -4.001 129 HA SER 22 HA SER 22 12.109 9.290 -5.875 130 HB2 SER 22 HB2 SER 22 12.701 11.147 -4.175 131 HB3 SER 22 HB3 SER 22 14.275 10.358 -4.076 132 HG SER 22 HG SER 22 14.739 11.424 -5.816 133 H LEU 23 H LEU 23 12.427 6.741 -5.634 134 HA LEU 23 HA LEU 23 15.316 6.194 -5.793 135 HB2 LEU 23 HB2 LEU 23 13.011 4.361 -5.160 136 HB3 LEU 23 HB3 LEU 23 14.665 3.813 -5.420 137 HG LEU 23 HG LEU 23 13.700 5.596 -3.185 138 HD11 LEU 23 HD11 LEU 23 14.906 2.868 -2.915 139 HD12 LEU 23 HD12 LEU 23 13.176 3.078 -3.189 140 HD13 LEU 23 HD13 LEU 23 13.933 3.777 -1.758 141 HD21 LEU 23 HD21 LEU 23 15.985 5.385 -2.318 142 HD22 LEU 23 HD22 LEU 23 15.948 6.214 -3.874 143 HD23 LEU 23 HD23 LEU 23 16.457 4.527 -3.785 144 H ALA 24 H ALA 24 15.956 4.525 -7.374 145 HA ALA 24 HA ALA 24 14.204 3.872 -9.538 146 HB1 ALA 24 HB1 ALA 24 14.675 6.234 -10.057 147 HB2 ALA 24 HB2 ALA 24 16.397 5.858 -10.119 148 HB3 ALA 24 HB3 ALA 24 15.294 5.134 -11.289 149 H CYS 25 H CYS 25 15.136 2.408 -11.025 150 HA CYS 25 HA CYS 25 17.517 1.074 -9.975 151 HB2 CYS 25 HB2 CYS 25 15.226 -0.056 -10.597 152 HB3 CYS 25 HB3 CYS 25 15.877 -0.013 -12.232 153 H SER 26 H SER 26 19.413 1.582 -10.827 154 HA SER 26 HA SER 26 19.531 2.606 -13.569 155 HB2 SER 26 HB2 SER 26 20.703 3.556 -11.305 156 HB3 SER 26 HB3 SER 26 22.004 2.560 -11.956 157 HG SER 26 HG SER 26 20.614 4.365 -13.612 158 H THR 27 H THR 27 20.728 1.655 -15.165 159 HA THR 27 HA THR 27 21.273 -1.150 -14.867 160 HB THR 27 HB THR 27 22.032 0.508 -17.263 161 HG1 THR 27 HG1 THR 27 19.863 0.034 -18.001 162 HG21 THR 27 HG21 THR 27 21.224 -1.702 -18.351 163 HG22 THR 27 HG22 THR 27 21.415 -2.377 -16.733 164 HG23 THR 27 HG23 THR 27 22.800 -1.668 -17.562 165 H LYS 28 H LYS 28 22.992 1.462 -13.947 166 HA LYS 28 HA LYS 28 25.608 0.525 -14.812 167 HB2 LYS 28 HB2 LYS 28 24.615 3.027 -14.298 168 HB3 LYS 28 HB3 LYS 28 25.497 2.681 -12.817 169 HG2 LYS 28 HG2 LYS 28 27.506 2.805 -13.824 170 HG3 LYS 28 HG3 LYS 28 26.921 2.076 -15.322 171 HD2 LYS 28 HD2 LYS 28 27.053 4.136 -16.184 172 HD3 LYS 28 HD3 LYS 28 25.594 4.483 -15.253 173 HE2 LYS 28 HE2 LYS 28 27.252 5.012 -13.331 174 HE3 LYS 28 HE3 LYS 28 28.447 5.139 -14.621 175 HZ1 LYS 28 HZ1 LYS 28 25.901 6.619 -14.784 176 HZ2 LYS 28 HZ2 LYS 28 27.372 6.948 -15.550 177 HZ3 LYS 28 HZ3 LYS 28 27.199 7.239 -13.893 178 H HIS 29 H HIS 29 23.882 1.082 -11.749 179 HA HIS 29 HA HIS 29 25.853 -0.626 -10.396 180 HB2 HIS 29 HB2 HIS 29 23.908 1.427 -9.340 181 HB3 HIS 29 HB3 HIS 29 24.804 0.331 -8.293 182 HD1 HIS 29 HD1 HIS 29 27.524 0.530 -9.896 183 HD2 HIS 29 HD2 HIS 29 25.221 3.731 -8.588 184 HE1 HIS 29 HE1 HIS 29 29.109 2.475 -9.730 185 H LYS 30 H LYS 30 22.617 -0.504 -11.487 186 HA LYS 30 HA LYS 30 20.873 -1.959 -11.369 187 HB2 LYS 30 HB2 LYS 30 23.229 -3.690 -10.761 188 HB3 LYS 30 HB3 LYS 30 21.617 -4.357 -10.534 189 HG2 LYS 30 HG2 LYS 30 21.244 -3.427 -12.962 190 HG3 LYS 30 HG3 LYS 30 23.003 -3.548 -13.036 191 HD2 LYS 30 HD2 LYS 30 21.216 -5.818 -12.182 192 HD3 LYS 30 HD3 LYS 30 21.747 -5.572 -13.847 193 HE2 LYS 30 HE2 LYS 30 24.033 -5.862 -13.241 194 HE3 LYS 30 HE3 LYS 30 23.644 -5.823 -11.522 195 HZ1 LYS 30 HZ1 LYS 30 22.763 -7.934 -11.583 196 HZ2 LYS 30 HZ2 LYS 30 24.043 -8.078 -12.679 197 HZ3 LYS 30 HZ3 LYS 30 22.460 -7.894 -13.246 198 H TRP 31 H TRP 31 20.501 -0.350 -9.459 199 HA TRP 31 HA TRP 31 19.312 -1.828 -7.362 200 HB2 TRP 31 HB2 TRP 31 20.666 -1.284 -5.496 201 HB3 TRP 31 HB3 TRP 31 21.779 -1.881 -6.724 202 HD1 TRP 31 HD1 TRP 31 22.008 0.858 -8.405 203 HE1 TRP 31 HE1 TRP 31 23.369 2.804 -7.410 204 HE3 TRP 31 HE3 TRP 31 21.911 -0.516 -3.481 205 HZ2 TRP 31 HZ2 TRP 31 24.280 3.645 -4.875 206 HZ3 TRP 31 HZ3 TRP 31 23.052 0.913 -1.835 207 HH2 TRP 31 HH2 TRP 31 24.212 2.950 -2.520 208 H CYS 32 H CYS 32 18.154 -0.471 -5.849 209 HA CYS 32 HA CYS 32 17.016 1.800 -7.074 210 HB2 CYS 32 HB2 CYS 32 16.880 0.931 -4.178 211 HB3 CYS 32 HB3 CYS 32 15.811 2.099 -4.949 212 H LYS 33 H LYS 33 18.555 3.343 -7.539 213 HA LYS 33 HA LYS 33 20.078 4.477 -5.306 214 HB2 LYS 33 HB2 LYS 33 21.274 5.734 -7.132 215 HB3 LYS 33 HB3 LYS 33 21.457 3.985 -7.187 216 HG2 LYS 33 HG2 LYS 33 20.307 3.784 -9.127 217 HG3 LYS 33 HG3 LYS 33 19.245 5.148 -8.769 218 HD2 LYS 33 HD2 LYS 33 20.692 5.707 -10.625 219 HD3 LYS 33 HD3 LYS 33 21.122 6.688 -9.221 220 HE2 LYS 33 HE2 LYS 33 23.064 5.438 -8.808 221 HE3 LYS 33 HE3 LYS 33 22.532 4.110 -9.838 222 HZ1 LYS 33 HZ1 LYS 33 23.967 5.104 -11.253 223 HZ2 LYS 33 HZ2 LYS 33 23.784 6.640 -10.568 224 HZ3 LYS 33 HZ3 LYS 33 22.608 6.040 -11.626 225 H TYR 34 H TYR 34 19.889 6.596 -4.672 226 HA TYR 34 HA TYR 34 17.398 7.839 -4.905 227 HB2 TYR 34 HB2 TYR 34 20.085 8.729 -3.924 228 HB3 TYR 34 HB3 TYR 34 18.786 9.906 -4.076 229 HD1 TYR 34 HD1 TYR 34 16.427 8.726 -3.132 230 HD2 TYR 34 HD2 TYR 34 20.394 8.041 -1.752 231 HE1 TYR 34 HE1 TYR 34 15.541 8.035 -0.944 232 HE2 TYR 34 HE2 TYR 34 19.518 7.347 0.439 233 HH TYR 34 HH TYR 34 17.345 6.403 1.338 234 H GLU 35 H GLU 35 16.509 9.007 -6.467 235 HA GLU 35 HA GLU 35 18.059 9.742 -8.789 236 HB2 GLU 35 HB2 GLU 35 15.147 9.830 -8.074 237 HB3 GLU 35 HB3 GLU 35 15.738 10.706 -9.479 238 HG2 GLU 35 HG2 GLU 35 16.824 8.403 -10.080 239 HG3 GLU 35 HG3 GLU 35 15.580 7.774 -9.001 240 H LEU 36 H LEU 36 19.315 11.491 -8.602 241 HA LEU 36 HA LEU 36 18.434 13.789 -7.055 242 HB2 LEU 36 HB2 LEU 36 20.992 12.930 -8.319 243 HB3 LEU 36 HB3 LEU 36 20.747 14.639 -7.967 244 HG LEU 36 HG LEU 36 20.488 12.499 -5.867 245 HD11 LEU 36 HD11 LEU 36 22.932 14.186 -6.178 246 HD12 LEU 36 HD12 LEU 36 22.776 12.681 -7.083 247 HD13 LEU 36 HD13 LEU 36 22.722 12.659 -5.321 248 HD21 LEU 36 HD21 LEU 36 20.692 14.298 -4.323 249 HD22 LEU 36 HD22 LEU 36 19.468 14.762 -5.506 250 HD23 LEU 36 HD23 LEU 36 21.095 15.438 -5.607 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.360 1.565 0.606 2 HA2 GLY 1 HA2 GLY 1 1.372 -0.288 -0.362 3 HA3 GLY 1 HA3 GLY 1 1.969 0.460 -1.836 4 H ALA 2 H ALA 2 3.607 -0.484 -2.947 5 HA ALA 2 HA ALA 2 5.152 -2.619 -1.707 6 HB1 ALA 2 HB1 ALA 2 3.681 -3.183 -4.267 7 HB2 ALA 2 HB2 ALA 2 4.551 -4.314 -3.231 8 HB3 ALA 2 HB3 ALA 2 3.031 -3.608 -2.684 9 H CYS 3 H CYS 3 7.137 -1.848 -2.084 10 HA CYS 3 HA CYS 3 8.067 -1.644 -4.803 11 HB2 CYS 3 HB2 CYS 3 9.007 0.658 -4.478 12 HB3 CYS 3 HB3 CYS 3 7.251 0.604 -4.589 13 H LEU 4 H LEU 4 10.491 -0.599 -4.562 14 HA LEU 4 HA LEU 4 11.761 -2.201 -2.441 15 HB2 LEU 4 HB2 LEU 4 12.866 -1.425 -5.136 16 HB3 LEU 4 HB3 LEU 4 13.698 -2.390 -3.919 17 HG LEU 4 HG LEU 4 11.138 -3.245 -5.261 18 HD11 LEU 4 HD11 LEU 4 13.201 -2.913 -6.768 19 HD12 LEU 4 HD12 LEU 4 12.344 -4.452 -6.835 20 HD13 LEU 4 HD13 LEU 4 13.851 -4.321 -5.929 21 HD21 LEU 4 HD21 LEU 4 13.051 -4.474 -3.331 22 HD22 LEU 4 HD22 LEU 4 12.203 -5.506 -4.483 23 HD23 LEU 4 HD23 LEU 4 11.288 -4.512 -3.350 24 H GLY 5 H GLY 5 12.641 -1.033 -0.874 25 HA2 GLY 5 HA2 GLY 5 13.006 1.774 -1.041 26 HA3 GLY 5 HA3 GLY 5 13.566 0.737 0.262 27 H PHE 6 H PHE 6 15.260 2.600 -0.084 28 HA PHE 6 HA PHE 6 17.101 2.351 -2.219 29 HB2 PHE 6 HB2 PHE 6 16.905 4.405 -0.893 30 HB3 PHE 6 HB3 PHE 6 17.490 3.550 0.531 31 HD1 PHE 6 HD2 PHE 6 18.434 4.759 -2.826 32 HD2 PHE 6 HD1 PHE 6 19.795 3.233 0.907 33 HE1 PHE 6 HE2 PHE 6 20.746 5.331 -3.439 34 HE2 PHE 6 HE1 PHE 6 22.110 3.804 0.300 35 HZ PHE 6 HZ PHE 6 22.588 4.853 -1.876 36 H GLY 7 H GLY 7 18.857 1.093 -2.488 37 HA2 GLY 7 HA2 GLY 7 20.652 -0.274 -1.859 38 HA3 GLY 7 HA3 GLY 7 20.015 -0.320 -0.222 39 H LYS 8 H LYS 8 17.743 -0.945 -2.697 40 HA LYS 8 HA LYS 8 17.730 -3.780 -1.942 41 HB2 LYS 8 HB2 LYS 8 15.605 -2.102 -3.290 42 HB3 LYS 8 HB3 LYS 8 15.435 -3.800 -2.863 43 HG2 LYS 8 HG2 LYS 8 15.968 -1.616 -0.864 44 HG3 LYS 8 HG3 LYS 8 14.358 -2.209 -1.278 45 HD2 LYS 8 HD2 LYS 8 16.507 -4.102 -0.394 46 HD3 LYS 8 HD3 LYS 8 15.565 -3.193 0.790 47 HE2 LYS 8 HE2 LYS 8 13.600 -4.274 0.252 48 HE3 LYS 8 HE3 LYS 8 14.152 -4.694 -1.369 49 HZ1 LYS 8 HZ1 LYS 8 15.713 -6.275 -0.336 50 HZ2 LYS 8 HZ2 LYS 8 14.095 -6.654 -0.019 51 HZ3 LYS 8 HZ3 LYS 8 15.045 -5.929 1.179 52 H SER 9 H SER 9 17.607 -5.420 -3.504 53 HA SER 9 HA SER 9 19.031 -4.831 -5.935 54 HB2 SER 9 HB2 SER 9 18.731 -7.334 -6.317 55 HB3 SER 9 HB3 SER 9 19.631 -6.872 -4.873 56 HG SER 9 HG SER 9 17.990 -7.493 -3.625 57 H CYS 10 H CYS 10 17.941 -3.885 -7.539 58 HA CYS 10 HA CYS 10 15.284 -4.957 -8.232 59 HB2 CYS 10 HB2 CYS 10 14.867 -2.732 -9.295 60 HB3 CYS 10 HB3 CYS 10 15.079 -2.657 -7.549 61 H ASN 11 H ASN 11 14.791 -4.363 -10.661 62 HA ASN 11 HA ASN 11 17.069 -5.372 -12.226 63 HB2 ASN 11 HB2 ASN 11 14.829 -6.675 -12.040 64 HB3 ASN 11 HB3 ASN 11 14.214 -5.462 -13.160 65 HD21 ASN 11 HD21 ASN 11 14.360 -5.952 -15.218 66 HD22 ASN 11 HD22 ASN 11 15.486 -7.054 -15.928 67 HA PRO 12 HA PRO 12 17.236 -1.501 -14.338 68 HB2 PRO 12 HB2 PRO 12 18.672 -2.307 -16.496 69 HB3 PRO 12 HB3 PRO 12 19.388 -2.081 -14.896 70 HG2 PRO 12 HG2 PRO 12 18.499 -4.607 -16.234 71 HG3 PRO 12 HG3 PRO 12 19.969 -4.298 -15.291 72 HD2 PRO 12 HD2 PRO 12 17.809 -5.558 -14.252 73 HD3 PRO 12 HD3 PRO 12 18.874 -4.527 -13.275 74 H SER 13 H SER 13 16.392 -4.406 -16.206 75 HA SER 13 HA SER 13 15.197 -3.020 -18.365 76 HB2 SER 13 HB2 SER 13 15.993 -5.486 -18.229 77 HB3 SER 13 HB3 SER 13 14.398 -5.804 -17.549 78 HG SER 13 HG SER 13 13.570 -4.715 -19.481 79 H ASN 14 H ASN 14 14.084 -3.898 -15.215 80 HA ASN 14 HA ASN 14 11.498 -2.659 -15.811 81 HB2 ASN 14 HB2 ASN 14 11.521 -5.295 -15.779 82 HB3 ASN 14 HB3 ASN 14 11.533 -5.066 -14.033 83 HD21 ASN 14 HD21 ASN 14 9.518 -5.782 -13.594 84 HD22 ASN 14 HD22 ASN 14 8.075 -5.019 -14.159 85 H ASP 15 H ASP 15 12.967 -1.000 -14.698 86 HA ASP 15 HA ASP 15 13.744 -1.107 -12.059 87 HB2 ASP 15 HB2 ASP 15 13.545 1.343 -12.035 88 HB3 ASP 15 HB3 ASP 15 14.276 0.774 -13.534 89 H GLN 16 H GLN 16 12.646 -1.585 -10.285 90 HA GLN 16 HA GLN 16 9.928 -0.526 -9.971 91 HB2 GLN 16 HB2 GLN 16 10.761 -3.351 -9.288 92 HB3 GLN 16 HB3 GLN 16 9.180 -2.641 -8.986 93 HG2 GLN 16 HG2 GLN 16 9.680 -2.260 -11.713 94 HG3 GLN 16 HG3 GLN 16 10.188 -3.908 -11.349 95 HE21 GLN 16 HE21 GLN 16 7.656 -2.081 -12.313 96 HE22 GLN 16 HE22 GLN 16 6.350 -3.103 -11.829 97 H CYS 17 H CYS 17 11.138 1.061 -8.700 98 HA CYS 17 HA CYS 17 11.832 0.035 -6.025 99 HB2 CYS 17 HB2 CYS 17 12.926 2.424 -7.520 100 HB3 CYS 17 HB3 CYS 17 13.244 2.107 -5.817 101 H CYS 18 H CYS 18 11.832 2.228 -4.516 102 HA CYS 18 HA CYS 18 9.019 2.912 -4.397 103 HB2 CYS 18 HB2 CYS 18 11.333 3.523 -2.549 104 HB3 CYS 18 HB3 CYS 18 9.671 4.018 -2.243 105 H LYS 19 H LYS 19 8.436 4.455 -5.811 106 HA LYS 19 HA LYS 19 10.087 6.584 -6.660 107 HB2 LYS 19 HB2 LYS 19 7.068 6.488 -6.726 108 HB3 LYS 19 HB3 LYS 19 8.118 7.464 -7.745 109 HG2 LYS 19 HG2 LYS 19 8.026 4.454 -7.750 110 HG3 LYS 19 HG3 LYS 19 7.197 5.499 -8.906 111 HD2 LYS 19 HD2 LYS 19 10.179 5.501 -8.453 112 HD3 LYS 19 HD3 LYS 19 9.370 4.584 -9.726 113 HE2 LYS 19 HE2 LYS 19 8.400 6.743 -10.542 114 HE3 LYS 19 HE3 LYS 19 9.427 7.577 -9.376 115 HZ1 LYS 19 HZ1 LYS 19 11.029 5.810 -10.829 116 HZ2 LYS 19 HZ2 LYS 19 11.069 7.500 -10.835 117 HZ3 LYS 19 HZ3 LYS 19 10.093 6.674 -11.943 118 H SER 20 H SER 20 7.705 6.274 -4.093 119 HA SER 20 HA SER 20 7.349 8.950 -3.431 120 HB2 SER 20 HB2 SER 20 6.561 8.191 -1.301 121 HB3 SER 20 HB3 SER 20 6.101 6.964 -2.481 122 HG SER 20 HG SER 20 8.047 6.867 -0.469 123 H SER 21 H SER 21 9.965 6.749 -2.644 124 HA SER 21 HA SER 21 11.250 8.768 -0.967 125 HB2 SER 21 HB2 SER 21 12.368 6.041 -1.591 126 HB3 SER 21 HB3 SER 21 12.679 7.061 -0.186 127 HG SER 21 HG SER 21 11.037 5.139 -0.200 128 H SER 22 H SER 22 10.948 8.785 -4.008 129 HA SER 22 HA SER 22 12.167 9.351 -5.848 130 HB2 SER 22 HB2 SER 22 13.683 10.575 -3.571 131 HB3 SER 22 HB3 SER 22 14.352 10.665 -5.200 132 HG SER 22 HG SER 22 13.076 12.325 -5.379 133 H LEU 23 H LEU 23 12.444 6.830 -5.731 134 HA LEU 23 HA LEU 23 15.332 6.245 -5.801 135 HB2 LEU 23 HB2 LEU 23 13.014 4.431 -5.158 136 HB3 LEU 23 HB3 LEU 23 14.666 3.870 -5.410 137 HG LEU 23 HG LEU 23 13.704 5.673 -3.190 138 HD11 LEU 23 HD11 LEU 23 14.916 2.953 -2.890 139 HD12 LEU 23 HD12 LEU 23 13.189 3.147 -3.186 140 HD13 LEU 23 HD13 LEU 23 13.924 3.865 -1.753 141 HD21 LEU 23 HD21 LEU 23 15.987 5.472 -2.320 142 HD22 LEU 23 HD22 LEU 23 15.952 6.286 -3.885 143 HD23 LEU 23 HD23 LEU 23 16.461 4.600 -3.778 144 H ALA 24 H ALA 24 15.971 4.564 -7.367 145 HA ALA 24 HA ALA 24 14.222 3.898 -9.530 146 HB1 ALA 24 HB1 ALA 24 14.499 6.014 -10.413 147 HB2 ALA 24 HB2 ALA 24 16.164 6.148 -9.846 148 HB3 ALA 24 HB3 ALA 24 15.781 5.109 -11.218 149 H CYS 25 H CYS 25 15.152 2.419 -11.002 150 HA CYS 25 HA CYS 25 17.523 1.084 -9.934 151 HB2 CYS 25 HB2 CYS 25 15.231 -0.039 -10.563 152 HB3 CYS 25 HB3 CYS 25 15.893 -0.010 -12.194 153 H SER 26 H SER 26 19.427 1.575 -10.780 154 HA SER 26 HA SER 26 19.567 2.603 -13.517 155 HB2 SER 26 HB2 SER 26 20.779 3.469 -11.215 156 HB3 SER 26 HB3 SER 26 22.058 2.508 -11.958 157 HG SER 26 HG SER 26 20.624 4.333 -13.532 158 H THR 27 H THR 27 20.738 1.639 -15.122 159 HA THR 27 HA THR 27 21.236 -1.176 -14.842 160 HB THR 27 HB THR 27 22.016 0.478 -17.233 161 HG1 THR 27 HG1 THR 27 19.841 0.083 -17.965 162 HG21 THR 27 HG21 THR 27 21.441 -2.393 -16.669 163 HG22 THR 27 HG22 THR 27 22.717 -1.671 -17.649 164 HG23 THR 27 HG23 THR 27 21.068 -1.753 -18.269 165 H LYS 28 H LYS 28 23.002 1.396 -13.910 166 HA LYS 28 HA LYS 28 25.598 0.396 -14.780 167 HB2 LYS 28 HB2 LYS 28 24.549 2.925 -13.760 168 HB3 LYS 28 HB3 LYS 28 26.072 2.467 -13.008 169 HG2 LYS 28 HG2 LYS 28 27.255 2.679 -14.945 170 HG3 LYS 28 HG3 LYS 28 25.867 2.291 -15.965 171 HD2 LYS 28 HD2 LYS 28 26.274 4.581 -16.320 172 HD3 LYS 28 HD3 LYS 28 24.896 4.524 -15.218 173 HE2 LYS 28 HE2 LYS 28 26.288 6.162 -14.304 174 HE3 LYS 28 HE3 LYS 28 26.634 4.723 -13.345 175 HZ1 LYS 28 HZ1 LYS 28 28.495 4.392 -15.101 176 HZ2 LYS 28 HZ2 LYS 28 28.727 5.484 -13.830 177 HZ3 LYS 28 HZ3 LYS 28 28.303 6.052 -15.367 178 H HIS 29 H HIS 29 23.891 1.062 -11.729 179 HA HIS 29 HA HIS 29 25.837 -0.636 -10.330 180 HB2 HIS 29 HB2 HIS 29 23.873 1.427 -9.326 181 HB3 HIS 29 HB3 HIS 29 24.777 0.359 -8.256 182 HD1 HIS 29 HD1 HIS 29 27.494 0.557 -9.877 183 HD2 HIS 29 HD2 HIS 29 25.168 3.751 -8.592 184 HE1 HIS 29 HE1 HIS 29 29.063 2.518 -9.738 185 H LYS 30 H LYS 30 22.597 -0.519 -11.432 186 HA LYS 30 HA LYS 30 20.851 -1.971 -11.301 187 HB2 LYS 30 HB2 LYS 30 23.207 -3.698 -10.686 188 HB3 LYS 30 HB3 LYS 30 21.597 -4.362 -10.441 189 HG2 LYS 30 HG2 LYS 30 21.210 -3.453 -12.878 190 HG3 LYS 30 HG3 LYS 30 22.968 -3.586 -12.960 191 HD2 LYS 30 HD2 LYS 30 21.192 -5.841 -12.050 192 HD3 LYS 30 HD3 LYS 30 21.666 -5.610 -13.734 193 HE2 LYS 30 HE2 LYS 30 23.765 -5.671 -11.612 194 HE3 LYS 30 HE3 LYS 30 23.047 -7.185 -12.160 195 HZ1 LYS 30 HZ1 LYS 30 24.327 -7.129 -13.947 196 HZ2 LYS 30 HZ2 LYS 30 25.071 -5.721 -13.380 197 HZ3 LYS 30 HZ3 LYS 30 23.721 -5.614 -14.395 198 H TRP 31 H TRP 31 20.483 -0.345 -9.405 199 HA TRP 31 HA TRP 31 19.290 -1.800 -7.297 200 HB2 TRP 31 HB2 TRP 31 20.648 -1.259 -5.436 201 HB3 TRP 31 HB3 TRP 31 21.760 -1.860 -6.662 202 HD1 TRP 31 HD1 TRP 31 22.008 0.867 -8.350 203 HE1 TRP 31 HE1 TRP 31 23.367 2.816 -7.358 204 HE3 TRP 31 HE3 TRP 31 21.876 -0.478 -3.419 205 HZ2 TRP 31 HZ2 TRP 31 24.264 3.669 -4.821 206 HZ3 TRP 31 HZ3 TRP 31 23.010 0.958 -1.774 207 HH2 TRP 31 HH2 TRP 31 24.179 2.988 -2.463 208 H CYS 32 H CYS 32 18.148 -0.421 -5.784 209 HA CYS 32 HA CYS 32 17.028 1.852 -7.028 210 HB2 CYS 32 HB2 CYS 32 16.869 1.001 -4.128 211 HB3 CYS 32 HB3 CYS 32 15.808 2.163 -4.918 212 H LYS 33 H LYS 33 18.584 3.380 -7.488 213 HA LYS 33 HA LYS 33 20.108 4.505 -5.253 214 HB2 LYS 33 HB2 LYS 33 21.315 5.754 -7.077 215 HB3 LYS 33 HB3 LYS 33 21.484 4.005 -7.135 216 HG2 LYS 33 HG2 LYS 33 20.349 3.819 -9.081 217 HG3 LYS 33 HG3 LYS 33 19.276 5.172 -8.713 218 HD2 LYS 33 HD2 LYS 33 20.691 5.795 -10.550 219 HD3 LYS 33 HD3 LYS 33 21.184 6.716 -9.127 220 HE2 LYS 33 HE2 LYS 33 23.084 5.336 -8.788 221 HE3 LYS 33 HE3 LYS 33 22.514 4.147 -9.958 222 HZ1 LYS 33 HZ1 LYS 33 22.740 6.693 -11.172 223 HZ2 LYS 33 HZ2 LYS 33 23.517 5.247 -11.580 224 HZ3 LYS 33 HZ3 LYS 33 24.203 6.281 -10.430 225 H TYR 34 H TYR 34 19.975 6.652 -4.658 226 HA TYR 34 HA TYR 34 17.486 7.905 -4.846 227 HB2 TYR 34 HB2 TYR 34 20.207 8.872 -4.008 228 HB3 TYR 34 HB3 TYR 34 18.826 9.963 -4.034 229 HD1 TYR 34 HD1 TYR 34 16.628 8.612 -2.944 230 HD2 TYR 34 HD2 TYR 34 20.724 8.166 -1.882 231 HE1 TYR 34 HE1 TYR 34 15.958 7.823 -0.713 232 HE2 TYR 34 HE2 TYR 34 20.065 7.375 0.352 233 HH TYR 34 HH TYR 34 17.365 7.861 1.752 234 H GLU 35 H GLU 35 16.573 9.166 -6.332 235 HA GLU 35 HA GLU 35 18.178 9.973 -8.643 236 HB2 GLU 35 HB2 GLU 35 15.362 9.256 -8.199 237 HB3 GLU 35 HB3 GLU 35 15.596 10.630 -9.270 238 HG2 GLU 35 HG2 GLU 35 17.308 8.296 -9.796 239 HG3 GLU 35 HG3 GLU 35 15.584 8.069 -10.084 240 H LEU 36 H LEU 36 19.084 11.915 -8.425 241 HA LEU 36 HA LEU 36 17.380 14.136 -7.516 242 HB2 LEU 36 HB2 LEU 36 19.594 15.132 -6.657 243 HB3 LEU 36 HB3 LEU 36 18.778 13.904 -5.692 244 HG LEU 36 HG LEU 36 20.361 12.219 -6.662 245 HD11 LEU 36 HD11 LEU 36 21.424 14.695 -7.936 246 HD12 LEU 36 HD12 LEU 36 21.223 13.078 -8.609 247 HD13 LEU 36 HD13 LEU 36 22.538 13.405 -7.481 248 HD21 LEU 36 HD21 LEU 36 21.863 14.406 -5.265 249 HD22 LEU 36 HD22 LEU 36 22.027 12.659 -5.089 250 HD23 LEU 36 HD23 LEU 36 20.607 13.482 -4.441 Start of MODEL 7 1 H1 GLY 1 H GLY 1 0.694 0.367 0.381 2 HA2 GLY 1 HA2 GLY 1 1.744 0.149 -1.895 3 HA3 GLY 1 HA3 GLY 1 2.847 0.771 -0.676 4 H ALA 2 H ALA 2 3.590 -0.610 -3.059 5 HA ALA 2 HA ALA 2 5.139 -2.759 -1.841 6 HB1 ALA 2 HB1 ALA 2 3.308 -3.160 -4.196 7 HB2 ALA 2 HB2 ALA 2 4.626 -4.261 -3.794 8 HB3 ALA 2 HB3 ALA 2 3.301 -4.019 -2.655 9 H CYS 3 H CYS 3 7.112 -1.926 -2.185 10 HA CYS 3 HA CYS 3 8.067 -1.714 -4.898 11 HB2 CYS 3 HB2 CYS 3 8.984 0.597 -4.550 12 HB3 CYS 3 HB3 CYS 3 7.230 0.525 -4.688 13 H LEU 4 H LEU 4 10.478 -0.652 -4.636 14 HA LEU 4 HA LEU 4 11.746 -2.253 -2.514 15 HB2 LEU 4 HB2 LEU 4 12.871 -1.432 -5.188 16 HB3 LEU 4 HB3 LEU 4 13.700 -2.404 -3.973 17 HG LEU 4 HG LEU 4 11.163 -3.272 -5.348 18 HD11 LEU 4 HD11 LEU 4 12.420 -4.489 -6.902 19 HD12 LEU 4 HD12 LEU 4 13.923 -4.242 -6.015 20 HD13 LEU 4 HD13 LEU 4 13.174 -2.895 -6.872 21 HD21 LEU 4 HD21 LEU 4 12.260 -5.529 -4.598 22 HD22 LEU 4 HD22 LEU 4 11.316 -4.569 -3.459 23 HD23 LEU 4 HD23 LEU 4 13.079 -4.501 -3.422 24 H GLY 5 H GLY 5 12.759 -1.163 -0.968 25 HA2 GLY 5 HA2 GLY 5 13.034 1.677 -1.077 26 HA3 GLY 5 HA3 GLY 5 13.605 0.627 0.211 27 H PHE 6 H PHE 6 15.276 2.516 -0.114 28 HA PHE 6 HA PHE 6 17.122 2.310 -2.251 29 HB2 PHE 6 HB2 PHE 6 16.900 4.349 -0.905 30 HB3 PHE 6 HB3 PHE 6 17.496 3.487 0.511 31 HD1 PHE 6 HD2 PHE 6 18.419 4.760 -2.825 32 HD2 PHE 6 HD1 PHE 6 19.808 3.174 0.872 33 HE1 PHE 6 HE2 PHE 6 20.725 5.366 -3.435 34 HE2 PHE 6 HE1 PHE 6 22.116 3.778 0.269 35 HZ PHE 6 HZ PHE 6 22.576 4.877 -1.887 36 H GLY 7 H GLY 7 18.884 1.067 -2.534 37 HA2 GLY 7 HA2 GLY 7 20.698 -0.281 -1.914 38 HA3 GLY 7 HA3 GLY 7 20.058 -0.352 -0.279 39 H LYS 8 H LYS 8 17.764 -0.972 -2.717 40 HA LYS 8 HA LYS 8 17.789 -3.814 -2.006 41 HB2 LYS 8 HB2 LYS 8 15.658 -2.143 -3.353 42 HB3 LYS 8 HB3 LYS 8 15.500 -3.847 -2.945 43 HG2 LYS 8 HG2 LYS 8 15.965 -1.649 -0.942 44 HG3 LYS 8 HG3 LYS 8 14.388 -2.333 -1.341 45 HD2 LYS 8 HD2 LYS 8 15.461 -4.598 -0.743 46 HD3 LYS 8 HD3 LYS 8 16.713 -3.632 0.041 47 HE2 LYS 8 HE2 LYS 8 13.906 -2.939 0.667 48 HE3 LYS 8 HE3 LYS 8 14.501 -4.474 1.299 49 HZ1 LYS 8 HZ1 LYS 8 14.786 -2.407 2.734 50 HZ2 LYS 8 HZ2 LYS 8 16.025 -1.970 1.669 51 HZ3 LYS 8 HZ3 LYS 8 16.133 -3.412 2.546 52 H SER 9 H SER 9 17.561 -5.438 -3.620 53 HA SER 9 HA SER 9 19.038 -4.826 -6.028 54 HB2 SER 9 HB2 SER 9 18.826 -7.305 -6.432 55 HB3 SER 9 HB3 SER 9 19.611 -6.876 -4.912 56 HG SER 9 HG SER 9 17.598 -8.467 -5.180 57 H CYS 10 H CYS 10 17.946 -3.876 -7.627 58 HA CYS 10 HA CYS 10 15.295 -4.954 -8.331 59 HB2 CYS 10 HB2 CYS 10 14.866 -2.724 -9.376 60 HB3 CYS 10 HB3 CYS 10 15.080 -2.660 -7.630 61 H ASN 11 H ASN 11 14.802 -4.344 -10.756 62 HA ASN 11 HA ASN 11 17.090 -5.323 -12.326 63 HB2 ASN 11 HB2 ASN 11 14.887 -6.670 -12.154 64 HB3 ASN 11 HB3 ASN 11 14.224 -5.446 -13.234 65 HD21 ASN 11 HD21 ASN 11 14.383 -5.833 -15.317 66 HD22 ASN 11 HD22 ASN 11 15.502 -6.913 -16.069 67 HA PRO 12 HA PRO 12 17.209 -1.438 -14.416 68 HB2 PRO 12 HB2 PRO 12 18.653 -2.215 -16.580 69 HB3 PRO 12 HB3 PRO 12 19.367 -1.989 -14.979 70 HG2 PRO 12 HG2 PRO 12 18.508 -4.518 -16.331 71 HG3 PRO 12 HG3 PRO 12 19.974 -4.197 -15.387 72 HD2 PRO 12 HD2 PRO 12 17.831 -5.489 -14.354 73 HD3 PRO 12 HD3 PRO 12 18.884 -4.451 -13.372 74 H SER 13 H SER 13 16.402 -4.342 -16.303 75 HA SER 13 HA SER 13 15.196 -2.968 -18.458 76 HB2 SER 13 HB2 SER 13 16.001 -5.414 -18.355 77 HB3 SER 13 HB3 SER 13 14.440 -5.760 -17.611 78 HG SER 13 HG SER 13 13.417 -5.147 -19.453 79 H ASN 14 H ASN 14 14.088 -3.820 -15.303 80 HA ASN 14 HA ASN 14 11.504 -2.584 -15.900 81 HB2 ASN 14 HB2 ASN 14 11.515 -5.220 -15.892 82 HB3 ASN 14 HB3 ASN 14 11.522 -5.007 -14.144 83 HD21 ASN 14 HD21 ASN 14 9.473 -5.944 -13.997 84 HD22 ASN 14 HD22 ASN 14 8.046 -5.081 -14.451 85 H ASP 15 H ASP 15 12.977 -0.941 -14.767 86 HA ASP 15 HA ASP 15 13.746 -1.076 -12.127 87 HB2 ASP 15 HB2 ASP 15 13.538 1.380 -12.081 88 HB3 ASP 15 HB3 ASP 15 14.300 0.818 -13.566 89 H GLN 16 H GLN 16 12.636 -1.581 -10.368 90 HA GLN 16 HA GLN 16 9.923 -0.508 -10.049 91 HB2 GLN 16 HB2 GLN 16 10.750 -3.347 -9.419 92 HB3 GLN 16 HB3 GLN 16 9.179 -2.639 -9.067 93 HG2 GLN 16 HG2 GLN 16 9.584 -2.188 -11.786 94 HG3 GLN 16 HG3 GLN 16 10.155 -3.831 -11.496 95 HE21 GLN 16 HE21 GLN 16 7.427 -1.702 -11.506 96 HE22 GLN 16 HE22 GLN 16 6.212 -2.917 -11.329 97 H CYS 17 H CYS 17 11.136 1.061 -8.758 98 HA CYS 17 HA CYS 17 11.827 0.003 -6.094 99 HB2 CYS 17 HB2 CYS 17 12.911 2.411 -7.564 100 HB3 CYS 17 HB3 CYS 17 13.224 2.086 -5.862 101 H CYS 18 H CYS 18 11.816 2.175 -4.556 102 HA CYS 18 HA CYS 18 8.998 2.852 -4.438 103 HB2 CYS 18 HB2 CYS 18 11.306 3.382 -2.562 104 HB3 CYS 18 HB3 CYS 18 9.663 3.936 -2.260 105 H LYS 19 H LYS 19 8.386 4.452 -5.759 106 HA LYS 19 HA LYS 19 10.051 6.584 -6.589 107 HB2 LYS 19 HB2 LYS 19 7.031 6.513 -6.619 108 HB3 LYS 19 HB3 LYS 19 8.077 7.505 -7.627 109 HG2 LYS 19 HG2 LYS 19 7.988 4.497 -7.704 110 HG3 LYS 19 HG3 LYS 19 7.111 5.559 -8.807 111 HD2 LYS 19 HD2 LYS 19 10.059 5.899 -8.481 112 HD3 LYS 19 HD3 LYS 19 9.445 4.579 -9.480 113 HE2 LYS 19 HE2 LYS 19 9.663 6.254 -11.040 114 HE3 LYS 19 HE3 LYS 19 7.982 6.463 -10.549 115 HZ1 LYS 19 HZ1 LYS 19 9.697 8.460 -10.631 116 HZ2 LYS 19 HZ2 LYS 19 9.991 7.948 -9.046 117 HZ3 LYS 19 HZ3 LYS 19 8.430 8.405 -9.511 118 H SER 20 H SER 20 7.759 6.199 -3.964 119 HA SER 20 HA SER 20 7.370 8.850 -3.233 120 HB2 SER 20 HB2 SER 20 7.370 6.271 -1.698 121 HB3 SER 20 HB3 SER 20 7.186 7.803 -0.843 122 HG SER 20 HG SER 20 5.172 6.874 -1.467 123 H SER 21 H SER 21 10.069 6.699 -2.589 124 HA SER 21 HA SER 21 11.380 8.742 -0.957 125 HB2 SER 21 HB2 SER 21 12.198 5.892 -1.577 126 HB3 SER 21 HB3 SER 21 13.056 6.984 -0.489 127 HG SER 21 HG SER 21 11.715 6.388 0.997 128 H SER 22 H SER 22 10.966 8.754 -3.977 129 HA SER 22 HA SER 22 12.110 9.315 -5.867 130 HB2 SER 22 HB2 SER 22 13.697 10.574 -3.658 131 HB3 SER 22 HB3 SER 22 14.289 10.673 -5.316 132 HG SER 22 HG SER 22 12.276 11.620 -5.882 133 H LEU 23 H LEU 23 12.436 6.764 -5.620 134 HA LEU 23 HA LEU 23 15.325 6.223 -5.791 135 HB2 LEU 23 HB2 LEU 23 13.021 4.386 -5.164 136 HB3 LEU 23 HB3 LEU 23 14.676 3.840 -5.427 137 HG LEU 23 HG LEU 23 13.712 5.614 -3.184 138 HD11 LEU 23 HD11 LEU 23 14.912 2.881 -2.932 139 HD12 LEU 23 HD12 LEU 23 13.182 3.100 -3.193 140 HD13 LEU 23 HD13 LEU 23 13.952 3.789 -1.764 141 HD21 LEU 23 HD21 LEU 23 16.468 4.530 -3.760 142 HD22 LEU 23 HD22 LEU 23 15.988 5.429 -2.321 143 HD23 LEU 23 HD23 LEU 23 15.969 6.216 -3.900 144 H ALA 24 H ALA 24 15.963 4.553 -7.375 145 HA ALA 24 HA ALA 24 14.211 3.914 -9.544 146 HB1 ALA 24 HB1 ALA 24 15.717 5.141 -11.237 147 HB2 ALA 24 HB2 ALA 24 14.501 6.071 -10.361 148 HB3 ALA 24 HB3 ALA 24 16.191 6.139 -9.862 149 H CYS 25 H CYS 25 15.138 2.450 -11.033 150 HA CYS 25 HA CYS 25 17.511 1.104 -9.985 151 HB2 CYS 25 HB2 CYS 25 15.216 -0.011 -10.624 152 HB3 CYS 25 HB3 CYS 25 15.878 0.034 -12.255 153 H SER 26 H SER 26 19.412 1.613 -10.827 154 HA SER 26 HA SER 26 19.543 2.644 -13.566 155 HB2 SER 26 HB2 SER 26 20.705 3.588 -11.291 156 HB3 SER 26 HB3 SER 26 22.010 2.599 -11.946 157 HG SER 26 HG SER 26 20.610 4.636 -13.345 158 H THR 27 H THR 27 20.745 1.694 -15.158 159 HA THR 27 HA THR 27 21.293 -1.109 -14.859 160 HB THR 27 HB THR 27 22.142 0.463 -17.265 161 HG1 THR 27 HG1 THR 27 19.503 -0.064 -16.392 162 HG21 THR 27 HG21 THR 27 20.927 -1.728 -18.199 163 HG22 THR 27 HG22 THR 27 21.388 -2.328 -16.606 164 HG23 THR 27 HG23 THR 27 22.621 -1.718 -17.709 165 H LYS 28 H LYS 28 23.006 1.508 -13.937 166 HA LYS 28 HA LYS 28 25.626 0.582 -14.794 167 HB2 LYS 28 HB2 LYS 28 24.616 3.076 -14.249 168 HB3 LYS 28 HB3 LYS 28 25.517 2.716 -12.782 169 HG2 LYS 28 HG2 LYS 28 27.510 2.884 -13.806 170 HG3 LYS 28 HG3 LYS 28 26.928 2.135 -15.295 171 HD2 LYS 28 HD2 LYS 28 27.053 4.199 -16.160 172 HD3 LYS 28 HD3 LYS 28 25.563 4.508 -15.267 173 HE2 LYS 28 HE2 LYS 28 26.987 6.273 -14.678 174 HE3 LYS 28 HE3 LYS 28 27.071 5.159 -13.315 175 HZ1 LYS 28 HZ1 LYS 28 29.039 4.780 -15.426 176 HZ2 LYS 28 HZ2 LYS 28 29.211 4.646 -13.749 177 HZ3 LYS 28 HZ3 LYS 28 29.216 6.171 -14.480 178 H HIS 29 H HIS 29 23.889 1.106 -11.732 179 HA HIS 29 HA HIS 29 25.861 -0.611 -10.389 180 HB2 HIS 29 HB2 HIS 29 23.919 1.440 -9.323 181 HB3 HIS 29 HB3 HIS 29 24.805 0.331 -8.280 182 HD1 HIS 29 HD1 HIS 29 27.536 0.524 -9.856 183 HD2 HIS 29 HD2 HIS 29 25.239 3.734 -8.558 184 HE1 HIS 29 HE1 HIS 29 29.130 2.460 -9.670 185 H LYS 30 H LYS 30 22.631 -0.485 -11.491 186 HA LYS 30 HA LYS 30 20.888 -1.942 -11.389 187 HB2 LYS 30 HB2 LYS 30 23.244 -3.670 -10.777 188 HB3 LYS 30 HB3 LYS 30 21.635 -4.341 -10.545 189 HG2 LYS 30 HG2 LYS 30 21.266 -3.397 -12.979 190 HG3 LYS 30 HG3 LYS 30 23.023 -3.553 -13.048 191 HD2 LYS 30 HD2 LYS 30 21.134 -5.769 -12.258 192 HD3 LYS 30 HD3 LYS 30 21.816 -5.560 -13.872 193 HE2 LYS 30 HE2 LYS 30 23.456 -5.896 -11.365 194 HE3 LYS 30 HE3 LYS 30 23.022 -7.217 -12.448 195 HZ1 LYS 30 HZ1 LYS 30 24.102 -5.231 -14.039 196 HZ2 LYS 30 HZ2 LYS 30 24.809 -6.711 -13.629 197 HZ3 LYS 30 HZ3 LYS 30 25.121 -5.337 -12.693 198 H TRP 31 H TRP 31 20.499 -0.338 -9.480 199 HA TRP 31 HA TRP 31 19.293 -1.817 -7.396 200 HB2 TRP 31 HB2 TRP 31 20.635 -1.281 -5.517 201 HB3 TRP 31 HB3 TRP 31 21.753 -1.885 -6.737 202 HD1 TRP 31 HD1 TRP 31 22.001 0.863 -8.411 203 HE1 TRP 31 HE1 TRP 31 23.371 2.796 -7.405 204 HE3 TRP 31 HE3 TRP 31 21.886 -0.534 -3.495 205 HZ2 TRP 31 HZ2 TRP 31 24.283 3.619 -4.864 206 HZ3 TRP 31 HZ3 TRP 31 23.033 0.880 -1.840 207 HH2 TRP 31 HH2 TRP 31 24.206 2.913 -2.512 208 H CYS 32 H CYS 32 18.172 -0.440 -5.846 209 HA CYS 32 HA CYS 32 17.033 1.832 -7.083 210 HB2 CYS 32 HB2 CYS 32 16.887 0.954 -4.190 211 HB3 CYS 32 HB3 CYS 32 15.829 2.135 -4.956 212 H LYS 33 H LYS 33 18.562 3.382 -7.539 213 HA LYS 33 HA LYS 33 20.094 4.499 -5.303 214 HB2 LYS 33 HB2 LYS 33 21.295 5.757 -7.126 215 HB3 LYS 33 HB3 LYS 33 21.475 4.008 -7.180 216 HG2 LYS 33 HG2 LYS 33 20.321 3.808 -9.119 217 HG3 LYS 33 HG3 LYS 33 19.270 5.182 -8.767 218 HD2 LYS 33 HD2 LYS 33 20.710 5.745 -10.614 219 HD3 LYS 33 HD3 LYS 33 21.186 6.696 -9.205 220 HE2 LYS 33 HE2 LYS 33 23.143 5.517 -8.906 221 HE3 LYS 33 HE3 LYS 33 22.529 4.083 -9.727 222 HZ1 LYS 33 HZ1 LYS 33 22.594 6.237 -11.537 223 HZ2 LYS 33 HZ2 LYS 33 23.448 4.778 -11.600 224 HZ3 LYS 33 HZ3 LYS 33 24.107 6.110 -10.791 225 H TYR 34 H TYR 34 19.973 6.658 -4.726 226 HA TYR 34 HA TYR 34 17.478 7.902 -4.891 227 HB2 TYR 34 HB2 TYR 34 20.205 8.838 -4.060 228 HB3 TYR 34 HB3 TYR 34 18.868 9.980 -4.143 229 HD1 TYR 34 HD1 TYR 34 16.600 8.570 -3.108 230 HD2 TYR 34 HD2 TYR 34 20.659 8.355 -1.849 231 HE1 TYR 34 HE1 TYR 34 15.863 7.875 -0.867 232 HE2 TYR 34 HE2 TYR 34 19.933 7.659 0.395 233 HH TYR 34 HH TYR 34 16.566 6.949 1.098 234 H GLU 35 H GLU 35 16.531 9.045 -6.438 235 HA GLU 35 HA GLU 35 17.941 9.670 -8.863 236 HB2 GLU 35 HB2 GLU 35 15.106 9.951 -7.929 237 HB3 GLU 35 HB3 GLU 35 15.633 10.770 -9.393 238 HG2 GLU 35 HG2 GLU 35 16.362 8.595 -10.304 239 HG3 GLU 35 HG3 GLU 35 15.718 7.809 -8.864 240 H LEU 36 H LEU 36 19.331 11.329 -8.791 241 HA LEU 36 HA LEU 36 18.593 13.768 -7.354 242 HB2 LEU 36 HB2 LEU 36 21.208 13.205 -8.723 243 HB3 LEU 36 HB3 LEU 36 20.870 14.396 -7.469 244 HG LEU 36 HG LEU 36 20.917 11.402 -7.090 245 HD11 LEU 36 HD11 LEU 36 23.081 12.946 -7.431 246 HD12 LEU 36 HD12 LEU 36 23.043 11.556 -6.346 247 HD13 LEU 36 HD13 LEU 36 22.818 13.183 -5.703 248 HD21 LEU 36 HD21 LEU 36 20.507 13.660 -5.134 249 HD22 LEU 36 HD22 LEU 36 20.775 11.974 -4.689 250 HD23 LEU 36 HD23 LEU 36 19.329 12.429 -5.592 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.040 -0.323 -3.082 2 HA2 GLY 1 HA2 GLY 1 2.503 0.913 -0.833 3 HA3 GLY 1 HA3 GLY 1 1.230 -0.284 -0.643 4 H ALA 2 H ALA 2 3.533 -0.696 -3.187 5 HA ALA 2 HA ALA 2 5.200 -2.474 -1.588 6 HB1 ALA 2 HB1 ALA 2 4.715 -4.435 -2.670 7 HB2 ALA 2 HB2 ALA 2 3.126 -3.670 -2.664 8 HB3 ALA 2 HB3 ALA 2 4.123 -3.620 -4.117 9 H CYS 3 H CYS 3 7.133 -1.598 -1.999 10 HA CYS 3 HA CYS 3 8.072 -1.557 -4.754 11 HB2 CYS 3 HB2 CYS 3 9.043 0.736 -4.445 12 HB3 CYS 3 HB3 CYS 3 7.286 0.700 -4.543 13 H LEU 4 H LEU 4 10.510 -0.544 -4.549 14 HA LEU 4 HA LEU 4 11.787 -2.160 -2.443 15 HB2 LEU 4 HB2 LEU 4 12.876 -1.368 -5.140 16 HB3 LEU 4 HB3 LEU 4 13.710 -2.351 -3.938 17 HG LEU 4 HG LEU 4 11.133 -3.174 -5.267 18 HD11 LEU 4 HD11 LEU 4 12.327 -4.396 -6.850 19 HD12 LEU 4 HD12 LEU 4 13.846 -4.237 -5.969 20 HD13 LEU 4 HD13 LEU 4 13.161 -2.842 -6.804 21 HD21 LEU 4 HD21 LEU 4 13.070 -4.454 -3.388 22 HD22 LEU 4 HD22 LEU 4 12.156 -5.450 -4.521 23 HD23 LEU 4 HD23 LEU 4 11.307 -4.442 -3.349 24 H GLY 5 H GLY 5 12.718 -1.025 -0.881 25 HA2 GLY 5 HA2 GLY 5 13.093 1.788 -1.030 26 HA3 GLY 5 HA3 GLY 5 13.651 0.737 0.264 27 H PHE 6 H PHE 6 15.360 2.585 -0.080 28 HA PHE 6 HA PHE 6 17.188 2.331 -2.226 29 HB2 PHE 6 HB2 PHE 6 17.020 4.379 -0.885 30 HB3 PHE 6 HB3 PHE 6 17.603 3.509 0.530 31 HD1 PHE 6 HD2 PHE 6 18.542 4.720 -2.829 32 HD2 PHE 6 HD1 PHE 6 19.906 3.175 0.895 33 HE1 PHE 6 HE2 PHE 6 20.857 5.272 -3.451 34 HE2 PHE 6 HE1 PHE 6 22.224 3.726 0.279 35 HZ PHE 6 HZ PHE 6 22.702 4.777 -1.896 36 H GLY 7 H GLY 7 18.930 1.060 -2.512 37 HA2 GLY 7 HA2 GLY 7 20.714 -0.331 -1.904 38 HA3 GLY 7 HA3 GLY 7 20.087 -0.380 -0.263 39 H LYS 8 H LYS 8 17.792 -0.967 -2.725 40 HA LYS 8 HA LYS 8 17.757 -3.807 -1.990 41 HB2 LYS 8 HB2 LYS 8 15.636 -2.102 -3.308 42 HB3 LYS 8 HB3 LYS 8 15.454 -3.799 -2.886 43 HG2 LYS 8 HG2 LYS 8 16.028 -1.629 -0.883 44 HG3 LYS 8 HG3 LYS 8 14.408 -2.203 -1.284 45 HD2 LYS 8 HD2 LYS 8 16.508 -4.167 -0.474 46 HD3 LYS 8 HD3 LYS 8 15.697 -3.202 0.762 47 HE2 LYS 8 HE2 LYS 8 13.538 -4.023 0.025 48 HE3 LYS 8 HE3 LYS 8 14.300 -4.917 -1.290 49 HZ1 LYS 8 HZ1 LYS 8 13.700 -6.012 1.040 50 HZ2 LYS 8 HZ2 LYS 8 15.267 -5.484 1.396 51 HZ3 LYS 8 HZ3 LYS 8 15.004 -6.534 0.096 52 H SER 9 H SER 9 17.604 -5.434 -3.562 53 HA SER 9 HA SER 9 19.012 -4.842 -6.001 54 HB2 SER 9 HB2 SER 9 17.763 -7.511 -5.492 55 HB3 SER 9 HB3 SER 9 19.324 -7.124 -6.215 56 HG SER 9 HG SER 9 18.607 -7.359 -3.533 57 H CYS 10 H CYS 10 17.919 -3.874 -7.590 58 HA CYS 10 HA CYS 10 15.244 -4.910 -8.266 59 HB2 CYS 10 HB2 CYS 10 14.846 -2.673 -9.313 60 HB3 CYS 10 HB3 CYS 10 15.069 -2.614 -7.568 61 H ASN 11 H ASN 11 14.737 -4.294 -10.687 62 HA ASN 11 HA ASN 11 16.988 -5.321 -12.278 63 HB2 ASN 11 HB2 ASN 11 14.705 -6.573 -12.074 64 HB3 ASN 11 HB3 ASN 11 14.139 -5.361 -13.220 65 HD21 ASN 11 HD21 ASN 11 14.248 -5.946 -15.252 66 HD22 ASN 11 HD22 ASN 11 15.373 -7.064 -15.937 67 HA PRO 12 HA PRO 12 17.193 -1.439 -14.365 68 HB2 PRO 12 HB2 PRO 12 18.594 -2.251 -16.545 69 HB3 PRO 12 HB3 PRO 12 19.330 -2.048 -14.951 70 HG2 PRO 12 HG2 PRO 12 18.388 -4.550 -16.298 71 HG3 PRO 12 HG3 PRO 12 19.872 -4.271 -15.368 72 HD2 PRO 12 HD2 PRO 12 17.704 -5.505 -14.316 73 HD3 PRO 12 HD3 PRO 12 18.795 -4.498 -13.343 74 H SER 13 H SER 13 16.285 -4.317 -16.246 75 HA SER 13 HA SER 13 15.079 -2.884 -18.373 76 HB2 SER 13 HB2 SER 13 15.873 -5.335 -18.337 77 HB3 SER 13 HB3 SER 13 14.321 -5.690 -17.579 78 HG SER 13 HG SER 13 14.378 -5.860 -19.927 79 H ASN 14 H ASN 14 14.007 -3.800 -15.224 80 HA ASN 14 HA ASN 14 11.408 -2.566 -15.777 81 HB2 ASN 14 HB2 ASN 14 11.453 -5.206 -15.744 82 HB3 ASN 14 HB3 ASN 14 11.474 -4.970 -13.998 83 HD21 ASN 14 HD21 ASN 14 9.409 -6.218 -15.456 84 HD22 ASN 14 HD22 ASN 14 7.979 -5.264 -15.276 85 H ASP 15 H ASP 15 12.937 -0.922 -14.680 86 HA ASP 15 HA ASP 15 13.721 -1.041 -12.043 87 HB2 ASP 15 HB2 ASP 15 13.573 1.411 -12.023 88 HB3 ASP 15 HB3 ASP 15 14.281 0.828 -13.527 89 H GLN 16 H GLN 16 12.610 -1.524 -10.279 90 HA GLN 16 HA GLN 16 9.918 -0.400 -9.949 91 HB2 GLN 16 HB2 GLN 16 10.697 -3.245 -9.288 92 HB3 GLN 16 HB3 GLN 16 9.135 -2.505 -8.960 93 HG2 GLN 16 HG2 GLN 16 9.573 -2.102 -11.682 94 HG3 GLN 16 HG3 GLN 16 10.109 -3.750 -11.362 95 HE21 GLN 16 HE21 GLN 16 7.588 -2.108 -12.428 96 HE22 GLN 16 HE22 GLN 16 6.284 -3.088 -11.857 97 H CYS 17 H CYS 17 11.167 1.158 -8.678 98 HA CYS 17 HA CYS 17 11.855 0.109 -6.010 99 HB2 CYS 17 HB2 CYS 17 12.972 2.489 -7.500 100 HB3 CYS 17 HB3 CYS 17 13.293 2.162 -5.800 101 H CYS 18 H CYS 18 11.890 2.289 -4.487 102 HA CYS 18 HA CYS 18 9.087 3.011 -4.349 103 HB2 CYS 18 HB2 CYS 18 11.421 3.570 -2.511 104 HB3 CYS 18 HB3 CYS 18 9.772 4.101 -2.193 105 H LYS 19 H LYS 19 8.502 4.579 -5.728 106 HA LYS 19 HA LYS 19 10.181 6.689 -6.582 107 HB2 LYS 19 HB2 LYS 19 7.161 6.662 -6.625 108 HB3 LYS 19 HB3 LYS 19 8.233 7.589 -7.667 109 HG2 LYS 19 HG2 LYS 19 8.020 4.585 -7.631 110 HG3 LYS 19 HG3 LYS 19 7.250 5.654 -8.807 111 HD2 LYS 19 HD2 LYS 19 9.603 6.529 -9.286 112 HD3 LYS 19 HD3 LYS 19 10.180 5.120 -8.394 113 HE2 LYS 19 HE2 LYS 19 9.141 3.628 -9.942 114 HE3 LYS 19 HE3 LYS 19 8.297 4.954 -10.740 115 HZ1 LYS 19 HZ1 LYS 19 11.126 5.344 -10.707 116 HZ2 LYS 19 HZ2 LYS 19 10.053 5.363 -12.014 117 HZ3 LYS 19 HZ3 LYS 19 10.705 3.897 -11.476 118 H SER 20 H SER 20 7.870 6.365 -3.966 119 HA SER 20 HA SER 20 7.516 9.042 -3.287 120 HB2 SER 20 HB2 SER 20 7.655 6.682 -1.395 121 HB3 SER 20 HB3 SER 20 6.898 8.239 -1.062 122 HG SER 20 HG SER 20 5.549 7.741 -2.964 123 H SER 21 H SER 21 10.143 6.832 -2.551 124 HA SER 21 HA SER 21 11.468 8.851 -0.906 125 HB2 SER 21 HB2 SER 21 12.499 6.086 -1.546 126 HB3 SER 21 HB3 SER 21 12.954 7.130 -0.200 127 HG SER 21 HG SER 21 11.020 5.309 -0.292 128 H SER 22 H SER 22 11.107 8.858 -3.941 129 HA SER 22 HA SER 22 12.293 9.419 -5.804 130 HB2 SER 22 HB2 SER 22 13.847 10.640 -3.556 131 HB3 SER 22 HB3 SER 22 14.509 10.710 -5.189 132 HG SER 22 HG SER 22 13.152 12.247 -5.593 133 H LEU 23 H LEU 23 12.555 6.878 -5.633 134 HA LEU 23 HA LEU 23 15.435 6.273 -5.763 135 HB2 LEU 23 HB2 LEU 23 13.101 4.482 -5.120 136 HB3 LEU 23 HB3 LEU 23 14.743 3.903 -5.389 137 HG LEU 23 HG LEU 23 13.819 5.698 -3.147 138 HD11 LEU 23 HD11 LEU 23 13.272 3.181 -3.158 139 HD12 LEU 23 HD12 LEU 23 14.030 3.875 -1.726 140 HD13 LEU 23 HD13 LEU 23 14.999 2.960 -2.880 141 HD21 LEU 23 HD21 LEU 23 16.073 6.282 -3.863 142 HD22 LEU 23 HD22 LEU 23 16.559 4.590 -3.754 143 HD23 LEU 23 HD23 LEU 23 16.103 5.473 -2.296 144 H ALA 24 H ALA 24 16.044 4.592 -7.344 145 HA ALA 24 HA ALA 24 14.276 3.967 -9.503 146 HB1 ALA 24 HB1 ALA 24 16.208 6.220 -9.788 147 HB2 ALA 24 HB2 ALA 24 15.892 5.174 -11.173 148 HB3 ALA 24 HB3 ALA 24 14.567 6.056 -10.413 149 H CYS 25 H CYS 25 15.179 2.487 -10.992 150 HA CYS 25 HA CYS 25 17.541 1.117 -9.948 151 HB2 CYS 25 HB2 CYS 25 15.230 0.022 -10.558 152 HB3 CYS 25 HB3 CYS 25 15.875 0.052 -12.196 153 H SER 26 H SER 26 19.442 1.593 -10.809 154 HA SER 26 HA SER 26 19.569 2.631 -13.542 155 HB2 SER 26 HB2 SER 26 20.816 3.467 -11.248 156 HB3 SER 26 HB3 SER 26 22.073 2.491 -12.007 157 HG SER 26 HG SER 26 21.388 3.794 -13.980 158 H THR 27 H THR 27 20.712 1.661 -15.165 159 HA THR 27 HA THR 27 21.172 -1.163 -14.906 160 HB THR 27 HB THR 27 22.027 0.413 -17.310 161 HG1 THR 27 HG1 THR 27 19.359 -0.449 -17.070 162 HG21 THR 27 HG21 THR 27 21.557 -2.349 -16.634 163 HG22 THR 27 HG22 THR 27 22.286 -1.662 -18.085 164 HG23 THR 27 HG23 THR 27 20.537 -1.861 -17.986 165 H LYS 28 H LYS 28 22.984 1.380 -13.978 166 HA LYS 28 HA LYS 28 25.557 0.344 -14.875 167 HB2 LYS 28 HB2 LYS 28 24.557 2.884 -13.818 168 HB3 LYS 28 HB3 LYS 28 26.097 2.400 -13.118 169 HG2 LYS 28 HG2 LYS 28 27.221 2.610 -15.089 170 HG3 LYS 28 HG3 LYS 28 25.797 2.251 -16.068 171 HD2 LYS 28 HD2 LYS 28 25.889 4.479 -16.471 172 HD3 LYS 28 HD3 LYS 28 24.995 4.554 -14.951 173 HE2 LYS 28 HE2 LYS 28 26.973 5.048 -13.723 174 HE3 LYS 28 HE3 LYS 28 27.999 4.692 -15.111 175 HZ1 LYS 28 HZ1 LYS 28 26.891 6.594 -16.251 176 HZ2 LYS 28 HZ2 LYS 28 27.839 7.033 -14.921 177 HZ3 LYS 28 HZ3 LYS 28 26.154 6.990 -14.780 178 H HIS 29 H HIS 29 23.888 1.030 -11.807 179 HA HIS 29 HA HIS 29 25.822 -0.694 -10.427 180 HB2 HIS 29 HB2 HIS 29 23.878 1.374 -9.393 181 HB3 HIS 29 HB3 HIS 29 24.806 0.307 -8.342 182 HD1 HIS 29 HD1 HIS 29 27.500 0.506 -9.973 183 HD2 HIS 29 HD2 HIS 29 25.170 3.711 -8.724 184 HE1 HIS 29 HE1 HIS 29 29.062 2.474 -9.873 185 H LYS 30 H LYS 30 22.572 -0.535 -11.500 186 HA LYS 30 HA LYS 30 20.812 -1.968 -11.359 187 HB2 LYS 30 HB2 LYS 30 23.152 -3.728 -10.773 188 HB3 LYS 30 HB3 LYS 30 21.534 -4.374 -10.527 189 HG2 LYS 30 HG2 LYS 30 21.153 -3.434 -12.956 190 HG3 LYS 30 HG3 LYS 30 22.909 -3.598 -13.044 191 HD2 LYS 30 HD2 LYS 30 21.072 -5.822 -12.170 192 HD3 LYS 30 HD3 LYS 30 21.598 -5.594 -13.839 193 HE2 LYS 30 HE2 LYS 30 23.165 -7.096 -13.083 194 HE3 LYS 30 HE3 LYS 30 23.984 -5.567 -12.770 195 HZ1 LYS 30 HZ1 LYS 30 22.319 -6.807 -10.681 196 HZ2 LYS 30 HZ2 LYS 30 23.612 -5.730 -10.514 197 HZ3 LYS 30 HZ3 LYS 30 23.904 -7.344 -10.930 198 H TRP 31 H TRP 31 20.482 -0.350 -9.449 199 HA TRP 31 HA TRP 31 19.295 -1.805 -7.337 200 HB2 TRP 31 HB2 TRP 31 20.679 -1.293 -5.488 201 HB3 TRP 31 HB3 TRP 31 21.773 -1.895 -6.731 202 HD1 TRP 31 HD1 TRP 31 22.037 0.838 -8.400 203 HE1 TRP 31 HE1 TRP 31 23.421 2.768 -7.406 204 HE3 TRP 31 HE3 TRP 31 21.923 -0.533 -3.476 205 HZ2 TRP 31 HZ2 TRP 31 24.343 3.598 -4.871 206 HZ3 TRP 31 HZ3 TRP 31 23.081 0.883 -1.831 207 HH2 TRP 31 HH2 TRP 31 24.266 2.905 -2.515 208 H CYS 32 H CYS 32 18.166 -0.432 -5.822 209 HA CYS 32 HA CYS 32 17.065 1.864 -7.034 210 HB2 CYS 32 HB2 CYS 32 16.924 0.991 -4.140 211 HB3 CYS 32 HB3 CYS 32 15.872 2.176 -4.907 212 H LYS 33 H LYS 33 18.636 3.376 -7.500 213 HA LYS 33 HA LYS 33 20.190 4.473 -5.271 214 HB2 LYS 33 HB2 LYS 33 21.394 5.720 -7.099 215 HB3 LYS 33 HB3 LYS 33 21.546 3.969 -7.165 216 HG2 LYS 33 HG2 LYS 33 20.382 3.799 -9.098 217 HG3 LYS 33 HG3 LYS 33 19.343 5.176 -8.723 218 HD2 LYS 33 HD2 LYS 33 20.777 5.737 -10.583 219 HD3 LYS 33 HD3 LYS 33 21.251 6.688 -9.173 220 HE2 LYS 33 HE2 LYS 33 23.207 5.498 -8.866 221 HE3 LYS 33 HE3 LYS 33 22.599 4.079 -9.717 222 HZ1 LYS 33 HZ1 LYS 33 23.552 6.628 -10.882 223 HZ2 LYS 33 HZ2 LYS 33 22.662 5.502 -11.776 224 HZ3 LYS 33 HZ3 LYS 33 24.167 5.072 -11.134 225 H TYR 34 H TYR 34 20.079 6.614 -4.658 226 HA TYR 34 HA TYR 34 17.603 7.897 -4.826 227 HB2 TYR 34 HB2 TYR 34 20.339 8.824 -3.990 228 HB3 TYR 34 HB3 TYR 34 18.974 9.935 -4.008 229 HD1 TYR 34 HD1 TYR 34 16.760 8.648 -2.906 230 HD2 TYR 34 HD2 TYR 34 20.848 8.063 -1.882 231 HE1 TYR 34 HE1 TYR 34 16.082 7.857 -0.678 232 HE2 TYR 34 HE2 TYR 34 20.181 7.269 0.348 233 HH TYR 34 HH TYR 34 18.464 6.648 1.645 234 H GLU 35 H GLU 35 16.697 9.175 -6.301 235 HA GLU 35 HA GLU 35 18.291 9.967 -8.621 236 HB2 GLU 35 HB2 GLU 35 15.453 9.349 -8.133 237 HB3 GLU 35 HB3 GLU 35 15.734 10.697 -9.225 238 HG2 GLU 35 HG2 GLU 35 17.346 8.291 -9.735 239 HG3 GLU 35 HG3 GLU 35 15.611 8.125 -9.999 240 H LEU 36 H LEU 36 19.263 11.877 -8.386 241 HA LEU 36 HA LEU 36 17.922 14.025 -6.930 242 HB2 LEU 36 HB2 LEU 36 20.721 13.580 -7.897 243 HB3 LEU 36 HB3 LEU 36 20.176 15.188 -7.426 244 HG LEU 36 HG LEU 36 19.810 12.944 -5.501 245 HD11 LEU 36 HD11 LEU 36 22.418 14.414 -5.662 246 HD12 LEU 36 HD12 LEU 36 22.170 12.879 -6.494 247 HD13 LEU 36 HD13 LEU 36 22.014 12.966 -4.740 248 HD21 LEU 36 HD21 LEU 36 20.822 15.247 -4.292 249 HD22 LEU 36 HD22 LEU 36 19.150 14.686 -4.289 250 HD23 LEU 36 HD23 LEU 36 19.696 15.823 -5.522 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.422 0.636 -1.739 2 HA2 GLY 1 HA2 GLY 1 3.391 1.141 -0.569 3 HA3 GLY 1 HA3 GLY 1 2.764 0.265 0.819 4 H ALA 2 H ALA 2 3.685 -0.425 -2.558 5 HA ALA 2 HA ALA 2 5.301 -2.668 -1.561 6 HB1 ALA 2 HB1 ALA 2 4.536 -4.065 -3.431 7 HB2 ALA 2 HB2 ALA 2 3.214 -3.622 -2.350 8 HB3 ALA 2 HB3 ALA 2 3.400 -2.799 -3.899 9 H CYS 3 H CYS 3 7.278 -1.816 -1.954 10 HA CYS 3 HA CYS 3 8.128 -1.613 -4.694 11 HB2 CYS 3 HB2 CYS 3 9.073 0.696 -4.406 12 HB3 CYS 3 HB3 CYS 3 7.315 0.633 -4.486 13 H LEU 4 H LEU 4 10.554 -0.565 -4.534 14 HA LEU 4 HA LEU 4 11.889 -2.151 -2.442 15 HB2 LEU 4 HB2 LEU 4 12.922 -1.358 -5.160 16 HB3 LEU 4 HB3 LEU 4 13.789 -2.323 -3.967 17 HG LEU 4 HG LEU 4 11.203 -3.188 -5.252 18 HD11 LEU 4 HD11 LEU 4 13.234 -2.838 -6.802 19 HD12 LEU 4 HD12 LEU 4 12.377 -4.378 -6.861 20 HD13 LEU 4 HD13 LEU 4 13.903 -4.251 -5.987 21 HD21 LEU 4 HD21 LEU 4 12.298 -5.445 -4.508 22 HD22 LEU 4 HD22 LEU 4 11.402 -4.461 -3.351 23 HD23 LEU 4 HD23 LEU 4 13.165 -4.413 -3.370 24 H GLY 5 H GLY 5 12.754 -0.960 -0.882 25 HA2 GLY 5 HA2 GLY 5 13.114 1.844 -1.067 26 HA3 GLY 5 HA3 GLY 5 13.696 0.814 0.233 27 H PHE 6 H PHE 6 15.383 2.671 -0.130 28 HA PHE 6 HA PHE 6 17.195 2.431 -2.292 29 HB2 PHE 6 HB2 PHE 6 17.014 4.482 -0.958 30 HB3 PHE 6 HB3 PHE 6 17.620 3.624 0.456 31 HD1 PHE 6 HD2 PHE 6 18.516 4.824 -2.919 32 HD2 PHE 6 HD1 PHE 6 19.929 3.327 0.806 33 HE1 PHE 6 HE2 PHE 6 20.819 5.402 -3.565 34 HE2 PHE 6 HE1 PHE 6 22.234 3.903 0.167 35 HZ PHE 6 HZ PHE 6 22.682 4.942 -2.020 36 H GLY 7 H GLY 7 18.968 1.196 -2.579 37 HA2 GLY 7 HA2 GLY 7 20.764 -0.179 -1.985 38 HA3 GLY 7 HA3 GLY 7 20.156 -0.224 -0.337 39 H LYS 8 H LYS 8 17.842 -0.855 -2.770 40 HA LYS 8 HA LYS 8 17.846 -3.689 -2.014 41 HB2 LYS 8 HB2 LYS 8 15.694 -2.016 -3.325 42 HB3 LYS 8 HB3 LYS 8 15.535 -3.714 -2.892 43 HG2 LYS 8 HG2 LYS 8 16.062 -1.492 -0.930 44 HG3 LYS 8 HG3 LYS 8 14.473 -2.176 -1.278 45 HD2 LYS 8 HD2 LYS 8 16.829 -3.765 -0.267 46 HD3 LYS 8 HD3 LYS 8 15.551 -3.113 0.762 47 HE2 LYS 8 HE2 LYS 8 14.641 -5.155 0.428 48 HE3 LYS 8 HE3 LYS 8 14.053 -4.401 -1.054 49 HZ1 LYS 8 HZ1 LYS 8 15.061 -6.084 -2.079 50 HZ2 LYS 8 HZ2 LYS 8 15.962 -6.517 -0.714 51 HZ3 LYS 8 HZ3 LYS 8 16.518 -5.294 -1.742 52 H SER 9 H SER 9 17.688 -5.330 -3.575 53 HA SER 9 HA SER 9 19.067 -4.739 -6.033 54 HB2 SER 9 HB2 SER 9 18.103 -7.250 -4.697 55 HB3 SER 9 HB3 SER 9 18.624 -7.287 -6.381 56 HG SER 9 HG SER 9 20.573 -6.134 -5.461 57 H CYS 10 H CYS 10 17.945 -3.804 -7.620 58 HA CYS 10 HA CYS 10 15.277 -4.882 -8.256 59 HB2 CYS 10 HB2 CYS 10 14.835 -2.662 -9.319 60 HB3 CYS 10 HB3 CYS 10 15.081 -2.580 -7.578 61 H ASN 11 H ASN 11 14.734 -4.299 -10.677 62 HA ASN 11 HA ASN 11 16.985 -5.305 -12.283 63 HB2 ASN 11 HB2 ASN 11 14.788 -6.644 -12.055 64 HB3 ASN 11 HB3 ASN 11 14.096 -5.423 -13.120 65 HD21 ASN 11 HD21 ASN 11 14.210 -5.799 -15.209 66 HD22 ASN 11 HD22 ASN 11 15.300 -6.890 -15.988 67 HA PRO 12 HA PRO 12 17.082 -1.443 -14.415 68 HB2 PRO 12 HB2 PRO 12 18.481 -2.249 -16.597 69 HB3 PRO 12 HB3 PRO 12 19.227 -2.009 -15.013 70 HG2 PRO 12 HG2 PRO 12 18.332 -4.549 -16.321 71 HG3 PRO 12 HG3 PRO 12 19.817 -4.224 -15.408 72 HD2 PRO 12 HD2 PRO 12 17.687 -5.495 -14.321 73 HD3 PRO 12 HD3 PRO 12 18.763 -4.451 -13.370 74 H SER 13 H SER 13 16.226 -4.363 -16.254 75 HA SER 13 HA SER 13 14.990 -3.013 -18.405 76 HB2 SER 13 HB2 SER 13 15.773 -5.464 -18.279 77 HB3 SER 13 HB3 SER 13 14.224 -5.783 -17.498 78 HG SER 13 HG SER 13 14.699 -4.785 -20.103 79 H ASN 14 H ASN 14 13.928 -3.814 -15.219 80 HA ASN 14 HA ASN 14 11.350 -2.551 -15.784 81 HB2 ASN 14 HB2 ASN 14 11.322 -5.184 -15.757 82 HB3 ASN 14 HB3 ASN 14 11.371 -4.962 -14.010 83 HD21 ASN 14 HD21 ASN 14 9.328 -5.785 -13.697 84 HD22 ASN 14 HD22 ASN 14 7.898 -4.938 -14.169 85 H ASP 15 H ASP 15 12.836 -0.906 -14.692 86 HA ASP 15 HA ASP 15 13.664 -1.023 -12.069 87 HB2 ASP 15 HB2 ASP 15 13.469 1.430 -12.037 88 HB3 ASP 15 HB3 ASP 15 14.182 0.859 -13.543 89 H GLN 16 H GLN 16 12.592 -1.519 -10.284 90 HA GLN 16 HA GLN 16 9.886 -0.442 -9.913 91 HB2 GLN 16 HB2 GLN 16 10.726 -3.270 -9.252 92 HB3 GLN 16 HB3 GLN 16 9.154 -2.558 -8.912 93 HG2 GLN 16 HG2 GLN 16 9.875 -2.314 -11.706 94 HG3 GLN 16 HG3 GLN 16 9.869 -3.991 -11.161 95 HE21 GLN 16 HE21 GLN 16 8.052 -2.117 -12.822 96 HE22 GLN 16 HE22 GLN 16 6.472 -2.489 -12.231 97 H CYS 17 H CYS 17 11.124 1.141 -8.664 98 HA CYS 17 HA CYS 17 11.871 0.111 -6.005 99 HB2 CYS 17 HB2 CYS 17 12.932 2.500 -7.523 100 HB3 CYS 17 HB3 CYS 17 13.278 2.192 -5.825 101 H CYS 18 H CYS 18 11.895 2.295 -4.488 102 HA CYS 18 HA CYS 18 9.083 2.979 -4.316 103 HB2 CYS 18 HB2 CYS 18 11.431 3.572 -2.505 104 HB3 CYS 18 HB3 CYS 18 9.778 4.076 -2.168 105 H LYS 19 H LYS 19 8.451 4.547 -5.669 106 HA LYS 19 HA LYS 19 10.092 6.673 -6.558 107 HB2 LYS 19 HB2 LYS 19 7.072 6.596 -6.540 108 HB3 LYS 19 HB3 LYS 19 8.102 7.564 -7.587 109 HG2 LYS 19 HG2 LYS 19 7.957 4.556 -7.595 110 HG3 LYS 19 HG3 LYS 19 7.144 5.625 -8.740 111 HD2 LYS 19 HD2 LYS 19 9.388 6.533 -9.363 112 HD3 LYS 19 HD3 LYS 19 10.115 5.286 -8.347 113 HE2 LYS 19 HE2 LYS 19 9.014 3.562 -9.712 114 HE3 LYS 19 HE3 LYS 19 8.336 4.823 -10.740 115 HZ1 LYS 19 HZ1 LYS 19 10.565 5.484 -11.359 116 HZ2 LYS 19 HZ2 LYS 19 10.332 3.845 -11.702 117 HZ3 LYS 19 HZ3 LYS 19 11.234 4.305 -10.347 118 H SER 20 H SER 20 7.826 6.330 -3.902 119 HA SER 20 HA SER 20 7.451 8.993 -3.209 120 HB2 SER 20 HB2 SER 20 7.780 6.837 -1.133 121 HB3 SER 20 HB3 SER 20 6.689 8.223 -1.118 122 HG SER 20 HG SER 20 5.572 6.308 -1.619 123 H SER 21 H SER 21 10.151 6.848 -2.558 124 HA SER 21 HA SER 21 11.481 8.911 -0.968 125 HB2 SER 21 HB2 SER 21 12.371 6.081 -1.574 126 HB3 SER 21 HB3 SER 21 13.119 7.184 -0.420 127 HG SER 21 HG SER 21 11.782 5.974 0.795 128 H SER 22 H SER 22 11.037 8.887 -3.983 129 HA SER 22 HA SER 22 12.162 9.423 -5.891 130 HB2 SER 22 HB2 SER 22 12.854 11.233 -4.082 131 HB3 SER 22 HB3 SER 22 14.443 10.498 -4.288 132 HG SER 22 HG SER 22 14.264 10.930 -6.527 133 H LEU 23 H LEU 23 12.477 6.886 -5.667 134 HA LEU 23 HA LEU 23 15.364 6.328 -5.853 135 HB2 LEU 23 HB2 LEU 23 13.067 4.503 -5.169 136 HB3 LEU 23 HB3 LEU 23 14.718 3.953 -5.445 137 HG LEU 23 HG LEU 23 13.778 5.754 -3.214 138 HD11 LEU 23 HD11 LEU 23 14.030 3.948 -1.777 139 HD12 LEU 23 HD12 LEU 23 15.006 3.038 -2.929 140 HD13 LEU 23 HD13 LEU 23 13.273 3.227 -3.197 141 HD21 LEU 23 HD21 LEU 23 16.079 5.548 -2.376 142 HD22 LEU 23 HD22 LEU 23 16.009 6.383 -3.928 143 HD23 LEU 23 HD23 LEU 23 16.531 4.699 -3.854 144 H ALA 24 H ALA 24 15.971 4.636 -7.426 145 HA ALA 24 HA ALA 24 14.182 3.975 -9.557 146 HB1 ALA 24 HB1 ALA 24 15.276 5.208 -11.338 147 HB2 ALA 24 HB2 ALA 24 14.645 6.320 -10.122 148 HB3 ALA 24 HB3 ALA 24 16.370 5.956 -10.174 149 H CYS 25 H CYS 25 15.082 2.491 -11.045 150 HA CYS 25 HA CYS 25 17.469 1.152 -10.019 151 HB2 CYS 25 HB2 CYS 25 15.163 0.031 -10.598 152 HB3 CYS 25 HB3 CYS 25 15.789 0.057 -12.243 153 H SER 26 H SER 26 19.351 1.681 -10.893 154 HA SER 26 HA SER 26 19.440 2.685 -13.639 155 HB2 SER 26 HB2 SER 26 20.674 3.596 -11.389 156 HB3 SER 26 HB3 SER 26 21.944 2.586 -12.079 157 HG SER 26 HG SER 26 20.581 4.331 -13.781 158 H THR 27 H THR 27 20.574 1.714 -15.265 159 HA THR 27 HA THR 27 21.084 -1.099 -14.983 160 HB THR 27 HB THR 27 21.855 0.497 -17.408 161 HG1 THR 27 HG1 THR 27 19.288 0.008 -16.388 162 HG21 THR 27 HG21 THR 27 21.877 -2.206 -16.797 163 HG22 THR 27 HG22 THR 27 21.973 -1.500 -18.410 164 HG23 THR 27 HG23 THR 27 20.413 -2.001 -17.758 165 H LYS 28 H LYS 28 22.866 1.486 -14.108 166 HA LYS 28 HA LYS 28 25.444 0.488 -15.030 167 HB2 LYS 28 HB2 LYS 28 24.700 2.986 -14.825 168 HB3 LYS 28 HB3 LYS 28 25.108 2.780 -13.126 169 HG2 LYS 28 HG2 LYS 28 27.083 1.998 -15.220 170 HG3 LYS 28 HG3 LYS 28 26.874 3.699 -14.798 171 HD2 LYS 28 HD2 LYS 28 27.869 3.451 -12.793 172 HD3 LYS 28 HD3 LYS 28 27.118 1.880 -12.504 173 HE2 LYS 28 HE2 LYS 28 28.813 0.730 -13.523 174 HE3 LYS 28 HE3 LYS 28 29.222 2.068 -14.597 175 HZ1 LYS 28 HZ1 LYS 28 30.391 1.369 -12.130 176 HZ2 LYS 28 HZ2 LYS 28 29.730 2.920 -12.003 177 HZ3 LYS 28 HZ3 LYS 28 30.858 2.578 -13.217 178 H HIS 29 H HIS 29 23.803 1.154 -11.943 179 HA HIS 29 HA HIS 29 25.785 -0.533 -10.584 180 HB2 HIS 29 HB2 HIS 29 23.826 1.510 -9.528 181 HB3 HIS 29 HB3 HIS 29 24.787 0.462 -8.488 182 HD1 HIS 29 HD1 HIS 29 27.402 0.743 -10.342 183 HD2 HIS 29 HD2 HIS 29 25.141 3.823 -8.710 184 HE1 HIS 29 HE1 HIS 29 28.947 2.724 -10.230 185 H LYS 30 H LYS 30 22.520 -0.430 -11.614 186 HA LYS 30 HA LYS 30 20.784 -1.889 -11.442 187 HB2 LYS 30 HB2 LYS 30 23.159 -3.607 -10.876 188 HB3 LYS 30 HB3 LYS 30 21.556 -4.277 -10.598 189 HG2 LYS 30 HG2 LYS 30 21.123 -3.362 -13.029 190 HG3 LYS 30 HG3 LYS 30 22.879 -3.504 -13.143 191 HD2 LYS 30 HD2 LYS 30 21.193 -5.769 -12.125 192 HD3 LYS 30 HD3 LYS 30 21.444 -5.518 -13.854 193 HE2 LYS 30 HE2 LYS 30 23.958 -5.427 -13.209 194 HE3 LYS 30 HE3 LYS 30 23.431 -6.229 -11.730 195 HZ1 LYS 30 HZ1 LYS 30 22.582 -7.313 -14.325 196 HZ2 LYS 30 HZ2 LYS 30 22.834 -8.115 -12.857 197 HZ3 LYS 30 HZ3 LYS 30 24.157 -7.617 -13.786 198 H TRP 31 H TRP 31 20.452 -0.262 -9.540 199 HA TRP 31 HA TRP 31 19.308 -1.716 -7.406 200 HB2 TRP 31 HB2 TRP 31 20.708 -1.187 -5.576 201 HB3 TRP 31 HB3 TRP 31 21.796 -1.775 -6.830 202 HD1 TRP 31 HD1 TRP 31 22.018 0.952 -8.507 203 HE1 TRP 31 HE1 TRP 31 23.382 2.904 -7.530 204 HE3 TRP 31 HE3 TRP 31 21.947 -0.396 -3.576 205 HZ2 TRP 31 HZ2 TRP 31 24.306 3.758 -5.004 206 HZ3 TRP 31 HZ3 TRP 31 23.095 1.043 -1.944 207 HH2 TRP 31 HH2 TRP 31 24.250 3.076 -2.645 208 H CYS 32 H CYS 32 18.181 -0.347 -5.886 209 HA CYS 32 HA CYS 32 17.043 1.931 -7.097 210 HB2 CYS 32 HB2 CYS 32 16.947 1.075 -4.196 211 HB3 CYS 32 HB3 CYS 32 15.872 2.243 -4.958 212 H LYS 33 H LYS 33 18.571 3.471 -7.587 213 HA LYS 33 HA LYS 33 20.146 4.594 -5.384 214 HB2 LYS 33 HB2 LYS 33 21.317 5.841 -7.235 215 HB3 LYS 33 HB3 LYS 33 21.492 4.092 -7.284 216 HG2 LYS 33 HG2 LYS 33 20.318 3.887 -9.207 217 HG3 LYS 33 HG3 LYS 33 19.256 5.247 -8.834 218 HD2 LYS 33 HD2 LYS 33 20.617 5.887 -10.685 219 HD3 LYS 33 HD3 LYS 33 21.201 6.767 -9.271 220 HE2 LYS 33 HE2 LYS 33 23.106 5.427 -9.082 221 HE3 LYS 33 HE3 LYS 33 22.421 4.152 -10.088 222 HZ1 LYS 33 HZ1 LYS 33 23.713 6.651 -10.876 223 HZ2 LYS 33 HZ2 LYS 33 22.445 6.097 -11.847 224 HZ3 LYS 33 HZ3 LYS 33 23.799 5.118 -11.587 225 H TYR 34 H TYR 34 19.990 6.719 -4.757 226 HA TYR 34 HA TYR 34 17.504 7.979 -4.942 227 HB2 TYR 34 HB2 TYR 34 20.221 8.900 -4.057 228 HB3 TYR 34 HB3 TYR 34 18.875 10.032 -4.122 229 HD1 TYR 34 HD1 TYR 34 16.615 8.836 -3.052 230 HD2 TYR 34 HD2 TYR 34 20.658 8.107 -1.946 231 HE1 TYR 34 HE1 TYR 34 15.866 8.077 -0.836 232 HE2 TYR 34 HE2 TYR 34 19.920 7.345 0.273 233 HH TYR 34 HH TYR 34 17.483 7.970 1.715 234 H GLU 35 H GLU 35 16.593 9.196 -6.458 235 HA GLU 35 HA GLU 35 18.202 10.031 -8.747 236 HB2 GLU 35 HB2 GLU 35 15.363 9.391 -8.284 237 HB3 GLU 35 HB3 GLU 35 15.649 10.733 -9.383 238 HG2 GLU 35 HG2 GLU 35 17.294 8.351 -9.869 239 HG3 GLU 35 HG3 GLU 35 15.563 8.140 -10.123 240 H LEU 36 H LEU 36 19.149 11.952 -8.506 241 HA LEU 36 HA LEU 36 17.482 14.204 -7.611 242 HB2 LEU 36 HB2 LEU 36 20.202 13.394 -6.696 243 HB3 LEU 36 HB3 LEU 36 19.791 15.107 -6.753 244 HG LEU 36 HG LEU 36 18.254 13.038 -5.186 245 HD11 LEU 36 HD11 LEU 36 20.138 13.082 -3.928 246 HD12 LEU 36 HD12 LEU 36 19.380 14.546 -3.303 247 HD13 LEU 36 HD13 LEU 36 20.640 14.662 -4.531 248 HD21 LEU 36 HD21 LEU 36 18.079 15.835 -4.405 249 HD22 LEU 36 HD22 LEU 36 16.800 14.650 -4.672 250 HD23 LEU 36 HD23 LEU 36 17.479 15.539 -6.037 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.096 -0.225 -1.332 2 HA2 GLY 1 HA2 GLY 1 2.014 0.377 -2.446 3 HA3 GLY 1 HA3 GLY 1 2.556 0.942 -0.872 4 H ALA 2 H ALA 2 3.412 -0.942 -3.383 5 HA ALA 2 HA ALA 2 5.183 -2.562 -1.690 6 HB1 ALA 2 HB1 ALA 2 3.737 -3.607 -4.122 7 HB2 ALA 2 HB2 ALA 2 4.885 -4.498 -3.122 8 HB3 ALA 2 HB3 ALA 2 3.336 -3.992 -2.448 9 H CYS 3 H CYS 3 7.050 -1.496 -2.096 10 HA CYS 3 HA CYS 3 8.040 -1.577 -4.848 11 HB2 CYS 3 HB2 CYS 3 9.013 0.722 -4.543 12 HB3 CYS 3 HB3 CYS 3 7.258 0.680 -4.678 13 H LEU 4 H LEU 4 10.475 -0.561 -4.640 14 HA LEU 4 HA LEU 4 11.742 -2.163 -2.518 15 HB2 LEU 4 HB2 LEU 4 12.847 -1.363 -5.206 16 HB3 LEU 4 HB3 LEU 4 13.680 -2.338 -3.997 17 HG LEU 4 HG LEU 4 11.128 -3.176 -5.367 18 HD11 LEU 4 HD11 LEU 4 13.198 -2.866 -6.850 19 HD12 LEU 4 HD12 LEU 4 12.363 -4.418 -6.903 20 HD13 LEU 4 HD13 LEU 4 13.858 -4.252 -5.981 21 HD21 LEU 4 HD21 LEU 4 11.247 -4.421 -3.428 22 HD22 LEU 4 HD22 LEU 4 13.011 -4.442 -3.422 23 HD23 LEU 4 HD23 LEU 4 12.120 -5.446 -4.568 24 H GLY 5 H GLY 5 12.766 -1.076 -0.978 25 HA2 GLY 5 HA2 GLY 5 13.092 1.759 -1.109 26 HA3 GLY 5 HA3 GLY 5 13.641 0.709 0.188 27 H PHE 6 H PHE 6 15.351 2.560 -0.145 28 HA PHE 6 HA PHE 6 17.194 2.308 -2.278 29 HB2 PHE 6 HB2 PHE 6 17.016 4.355 -0.940 30 HB3 PHE 6 HB3 PHE 6 17.587 3.486 0.481 31 HD1 PHE 6 HD2 PHE 6 18.558 4.673 -2.880 32 HD2 PHE 6 HD1 PHE 6 19.883 3.176 0.877 33 HE1 PHE 6 HE2 PHE 6 20.879 5.225 -3.482 34 HE2 PHE 6 HE1 PHE 6 22.206 3.727 0.282 35 HZ PHE 6 HZ PHE 6 22.706 4.752 -1.901 36 H GLY 7 H GLY 7 18.905 1.005 -2.567 37 HA2 GLY 7 HA2 GLY 7 20.699 -0.372 -1.938 38 HA3 GLY 7 HA3 GLY 7 20.056 -0.426 -0.304 39 H LYS 8 H LYS 8 17.761 -1.001 -2.757 40 HA LYS 8 HA LYS 8 17.725 -3.843 -2.040 41 HB2 LYS 8 HB2 LYS 8 15.622 -2.133 -3.381 42 HB3 LYS 8 HB3 LYS 8 15.432 -3.831 -2.963 43 HG2 LYS 8 HG2 LYS 8 15.958 -1.637 -0.969 44 HG3 LYS 8 HG3 LYS 8 14.360 -2.276 -1.364 45 HD2 LYS 8 HD2 LYS 8 15.411 -4.574 -0.776 46 HD3 LYS 8 HD3 LYS 8 16.639 -3.611 0.049 47 HE2 LYS 8 HE2 LYS 8 13.850 -2.858 0.613 48 HE3 LYS 8 HE3 LYS 8 14.332 -4.453 1.191 49 HZ1 LYS 8 HZ1 LYS 8 16.240 -3.380 2.295 50 HZ2 LYS 8 HZ2 LYS 8 14.751 -2.842 2.890 51 HZ3 LYS 8 HZ3 LYS 8 15.640 -1.867 1.832 52 H SER 9 H SER 9 17.487 -5.463 -3.646 53 HA SER 9 HA SER 9 18.958 -4.876 -6.061 54 HB2 SER 9 HB2 SER 9 18.463 -7.413 -6.441 55 HB3 SER 9 HB3 SER 9 19.588 -6.936 -5.170 56 HG SER 9 HG SER 9 17.020 -7.998 -4.976 57 H CYS 10 H CYS 10 17.878 -3.893 -7.650 58 HA CYS 10 HA CYS 10 15.207 -4.920 -8.354 59 HB2 CYS 10 HB2 CYS 10 14.821 -2.676 -9.391 60 HB3 CYS 10 HB3 CYS 10 15.029 -2.628 -7.643 61 H ASN 11 H ASN 11 14.720 -4.287 -10.775 62 HA ASN 11 HA ASN 11 16.976 -5.325 -12.352 63 HB2 ASN 11 HB2 ASN 11 14.609 -6.488 -12.172 64 HB3 ASN 11 HB3 ASN 11 14.175 -5.301 -13.398 65 HD21 ASN 11 HD21 ASN 11 14.252 -6.124 -15.347 66 HD22 ASN 11 HD22 ASN 11 15.411 -7.264 -15.932 67 HA PRO 12 HA PRO 12 17.274 -1.431 -14.405 68 HB2 PRO 12 HB2 PRO 12 18.669 -2.251 -16.585 69 HB3 PRO 12 HB3 PRO 12 19.400 -2.080 -14.985 70 HG2 PRO 12 HG2 PRO 12 18.412 -4.548 -16.363 71 HG3 PRO 12 HG3 PRO 12 19.896 -4.310 -15.422 72 HD2 PRO 12 HD2 PRO 12 17.696 -5.508 -14.394 73 HD3 PRO 12 HD3 PRO 12 18.804 -4.535 -13.405 74 H SER 13 H SER 13 16.314 -4.269 -16.319 75 HA SER 13 HA SER 13 15.133 -2.766 -18.423 76 HB2 SER 13 HB2 SER 13 15.916 -5.278 -18.333 77 HB3 SER 13 HB3 SER 13 14.259 -5.563 -17.800 78 HG SER 13 HG SER 13 14.204 -5.698 -19.988 79 H ASN 14 H ASN 14 14.041 -3.819 -15.316 80 HA ASN 14 HA ASN 14 11.431 -2.590 -15.852 81 HB2 ASN 14 HB2 ASN 14 11.563 -5.246 -15.797 82 HB3 ASN 14 HB3 ASN 14 11.508 -4.972 -14.058 83 HD21 ASN 14 HD21 ASN 14 9.810 -3.048 -13.626 84 HD22 ASN 14 HD22 ASN 14 8.245 -3.388 -14.275 85 H ASP 15 H ASP 15 12.981 -0.942 -14.750 86 HA ASP 15 HA ASP 15 13.738 -1.061 -12.106 87 HB2 ASP 15 HB2 ASP 15 13.588 1.396 -12.090 88 HB3 ASP 15 HB3 ASP 15 14.327 0.805 -13.575 89 H GLN 16 H GLN 16 12.613 -1.523 -10.346 90 HA GLN 16 HA GLN 16 9.922 -0.392 -10.045 91 HB2 GLN 16 HB2 GLN 16 10.681 -3.241 -9.381 92 HB3 GLN 16 HB3 GLN 16 9.123 -2.494 -9.056 93 HG2 GLN 16 HG2 GLN 16 9.892 -2.252 -11.839 94 HG3 GLN 16 HG3 GLN 16 9.827 -3.930 -11.303 95 HE21 GLN 16 HE21 GLN 16 7.881 -4.839 -10.768 96 HE22 GLN 16 HE22 GLN 16 6.364 -4.067 -11.060 97 H CYS 17 H CYS 17 11.165 1.161 -8.763 98 HA CYS 17 HA CYS 17 11.830 0.110 -6.090 99 HB2 CYS 17 HB2 CYS 17 12.953 2.496 -7.567 100 HB3 CYS 17 HB3 CYS 17 13.265 2.163 -5.867 101 H CYS 18 H CYS 18 11.855 2.295 -4.569 102 HA CYS 18 HA CYS 18 9.048 3.015 -4.455 103 HB2 CYS 18 HB2 CYS 18 11.366 3.534 -2.586 104 HB3 CYS 18 HB3 CYS 18 9.727 4.105 -2.286 105 H LYS 19 H LYS 19 8.450 4.617 -5.777 106 HA LYS 19 HA LYS 19 10.150 6.717 -6.628 107 HB2 LYS 19 HB2 LYS 19 7.128 6.642 -6.672 108 HB3 LYS 19 HB3 LYS 19 8.165 7.670 -7.652 109 HG2 LYS 19 HG2 LYS 19 8.079 4.664 -7.794 110 HG3 LYS 19 HG3 LYS 19 7.258 5.763 -8.904 111 HD2 LYS 19 HD2 LYS 19 9.515 6.758 -9.412 112 HD3 LYS 19 HD3 LYS 19 10.224 5.427 -8.495 113 HE2 LYS 19 HE2 LYS 19 8.788 3.934 -10.067 114 HE3 LYS 19 HE3 LYS 19 8.746 5.365 -11.095 115 HZ1 LYS 19 HZ1 LYS 19 10.809 3.481 -10.806 116 HZ2 LYS 19 HZ2 LYS 19 11.386 4.985 -10.293 117 HZ3 LYS 19 HZ3 LYS 19 10.738 4.813 -11.846 118 H SER 20 H SER 20 7.903 6.359 -3.975 119 HA SER 20 HA SER 20 7.528 9.031 -3.276 120 HB2 SER 20 HB2 SER 20 7.128 8.132 -0.956 121 HB3 SER 20 HB3 SER 20 6.195 7.333 -2.221 122 HG SER 20 HG SER 20 7.352 5.973 -0.602 123 H SER 21 H SER 21 10.174 6.827 -2.565 124 HA SER 21 HA SER 21 11.519 8.863 -0.958 125 HB2 SER 21 HB2 SER 21 12.283 5.995 -1.557 126 HB3 SER 21 HB3 SER 21 13.169 7.077 -0.484 127 HG SER 21 HG SER 21 11.852 6.051 0.879 128 H SER 22 H SER 22 11.118 8.856 -3.984 129 HA SER 22 HA SER 22 12.278 9.394 -5.870 130 HB2 SER 22 HB2 SER 22 12.958 11.193 -4.058 131 HB3 SER 22 HB3 SER 22 14.539 10.427 -4.204 132 HG SER 22 HG SER 22 14.747 11.667 -5.884 133 H LEU 23 H LEU 23 12.554 6.857 -5.675 134 HA LEU 23 HA LEU 23 15.435 6.257 -5.814 135 HB2 LEU 23 HB2 LEU 23 13.097 4.467 -5.180 136 HB3 LEU 23 HB3 LEU 23 14.738 3.884 -5.450 137 HG LEU 23 HG LEU 23 13.825 5.681 -3.205 138 HD11 LEU 23 HD11 LEU 23 14.962 2.919 -2.963 139 HD12 LEU 23 HD12 LEU 23 13.235 3.184 -3.201 140 HD13 LEU 23 HD13 LEU 23 14.042 3.850 -1.782 141 HD21 LEU 23 HD21 LEU 23 16.553 4.540 -3.803 142 HD22 LEU 23 HD22 LEU 23 16.104 5.437 -2.352 143 HD23 LEU 23 HD23 LEU 23 16.088 6.237 -3.924 144 H ALA 24 H ALA 24 16.048 4.579 -7.397 145 HA ALA 24 HA ALA 24 14.288 3.958 -9.563 146 HB1 ALA 24 HB1 ALA 24 16.565 5.774 -10.297 147 HB2 ALA 24 HB2 ALA 24 15.194 5.269 -11.286 148 HB3 ALA 24 HB3 ALA 24 14.949 6.389 -9.946 149 H CYS 25 H CYS 25 15.198 2.483 -11.053 150 HA CYS 25 HA CYS 25 17.559 1.113 -10.005 151 HB2 CYS 25 HB2 CYS 25 15.246 0.022 -10.632 152 HB3 CYS 25 HB3 CYS 25 15.908 0.046 -12.263 153 H SER 26 H SER 26 19.469 1.519 -10.878 154 HA SER 26 HA SER 26 19.600 2.585 -13.605 155 HB2 SER 26 HB2 SER 26 20.853 3.402 -11.293 156 HB3 SER 26 HB3 SER 26 22.110 2.456 -12.091 157 HG SER 26 HG SER 26 20.622 4.523 -13.343 158 H THR 27 H THR 27 20.761 1.618 -15.219 159 HA THR 27 HA THR 27 21.212 -1.207 -14.960 160 HB THR 27 HB THR 27 22.090 0.370 -17.355 161 HG1 THR 27 HG1 THR 27 19.416 -0.219 -16.574 162 HG21 THR 27 HG21 THR 27 21.414 -2.407 -16.694 163 HG22 THR 27 HG22 THR 27 22.448 -1.765 -17.970 164 HG23 THR 27 HG23 THR 27 20.701 -1.827 -18.199 165 H LYS 28 H LYS 28 23.021 1.328 -14.009 166 HA LYS 28 HA LYS 28 25.600 0.291 -14.890 167 HB2 LYS 28 HB2 LYS 28 24.594 2.830 -13.851 168 HB3 LYS 28 HB3 LYS 28 26.111 2.342 -13.107 169 HG2 LYS 28 HG2 LYS 28 27.290 2.530 -15.054 170 HG3 LYS 28 HG3 LYS 28 25.881 2.203 -16.067 171 HD2 LYS 28 HD2 LYS 28 26.279 4.470 -16.415 172 HD3 LYS 28 HD3 LYS 28 25.004 4.466 -15.194 173 HE2 LYS 28 HE2 LYS 28 26.748 4.715 -13.448 174 HE3 LYS 28 HE3 LYS 28 27.959 4.845 -14.723 175 HZ1 LYS 28 HZ1 LYS 28 25.631 6.661 -14.628 176 HZ2 LYS 28 HZ2 LYS 28 27.105 6.876 -15.428 177 HZ3 LYS 28 HZ3 LYS 28 27.035 6.988 -13.742 178 H HIS 29 H HIS 29 23.905 0.966 -11.833 179 HA HIS 29 HA HIS 29 25.823 -0.773 -10.446 180 HB2 HIS 29 HB2 HIS 29 23.892 1.312 -9.423 181 HB3 HIS 29 HB3 HIS 29 24.790 0.228 -8.364 182 HD1 HIS 29 HD1 HIS 29 27.506 0.397 -9.972 183 HD2 HIS 29 HD2 HIS 29 25.211 3.624 -8.714 184 HE1 HIS 29 HE1 HIS 29 29.095 2.342 -9.839 185 H LYS 30 H LYS 30 22.581 -0.589 -11.538 186 HA LYS 30 HA LYS 30 20.810 -2.011 -11.414 187 HB2 LYS 30 HB2 LYS 30 23.136 -3.787 -10.821 188 HB3 LYS 30 HB3 LYS 30 21.514 -4.423 -10.582 189 HG2 LYS 30 HG2 LYS 30 21.148 -3.476 -13.010 190 HG3 LYS 30 HG3 LYS 30 22.903 -3.652 -13.092 191 HD2 LYS 30 HD2 LYS 30 21.152 -5.892 -12.131 192 HD3 LYS 30 HD3 LYS 30 21.442 -5.629 -13.852 193 HE2 LYS 30 HE2 LYS 30 23.119 -7.116 -13.341 194 HE3 LYS 30 HE3 LYS 30 23.950 -5.577 -13.121 195 HZ1 LYS 30 HZ1 LYS 30 22.643 -7.017 -10.887 196 HZ2 LYS 30 HZ2 LYS 30 23.750 -5.742 -10.796 197 HZ3 LYS 30 HZ3 LYS 30 24.262 -7.270 -11.310 198 H TRP 31 H TRP 31 20.477 -0.397 -9.501 199 HA TRP 31 HA TRP 31 19.264 -1.847 -7.403 200 HB2 TRP 31 HB2 TRP 31 20.641 -1.360 -5.542 201 HB3 TRP 31 HB3 TRP 31 21.736 -1.968 -6.780 202 HD1 TRP 31 HD1 TRP 31 22.038 0.773 -8.434 203 HE1 TRP 31 HE1 TRP 31 23.438 2.681 -7.422 204 HE3 TRP 31 HE3 TRP 31 21.886 -0.627 -3.519 205 HZ2 TRP 31 HZ2 TRP 31 24.357 3.486 -4.877 206 HZ3 TRP 31 HZ3 TRP 31 23.052 0.766 -1.860 207 HH2 TRP 31 HH2 TRP 31 24.262 2.779 -2.527 208 H CYS 32 H CYS 32 18.138 -0.470 -5.891 209 HA CYS 32 HA CYS 32 17.068 1.841 -7.098 210 HB2 CYS 32 HB2 CYS 32 16.908 0.960 -4.208 211 HB3 CYS 32 HB3 CYS 32 15.872 2.160 -4.973 212 H LYS 33 H LYS 33 18.630 3.358 -7.550 213 HA LYS 33 HA LYS 33 20.194 4.428 -5.313 214 HB2 LYS 33 HB2 LYS 33 21.417 5.669 -7.134 215 HB3 LYS 33 HB3 LYS 33 21.558 3.917 -7.197 216 HG2 LYS 33 HG2 LYS 33 20.425 3.757 -9.145 217 HG3 LYS 33 HG3 LYS 33 19.363 5.115 -8.767 218 HD2 LYS 33 HD2 LYS 33 20.804 5.703 -10.617 219 HD3 LYS 33 HD3 LYS 33 21.243 6.660 -9.200 220 HE2 LYS 33 HE2 LYS 33 23.139 5.261 -8.767 221 HE3 LYS 33 HE3 LYS 33 22.643 4.118 -10.014 222 HZ1 LYS 33 HZ1 LYS 33 23.857 5.270 -11.442 223 HZ2 LYS 33 HZ2 LYS 33 24.224 6.438 -10.275 224 HZ3 LYS 33 HZ3 LYS 33 22.838 6.604 -11.230 225 H TYR 34 H TYR 34 20.063 6.546 -4.662 226 HA TYR 34 HA TYR 34 17.607 7.857 -4.880 227 HB2 TYR 34 HB2 TYR 34 20.322 8.690 -3.915 228 HB3 TYR 34 HB3 TYR 34 19.026 9.877 -4.024 229 HD1 TYR 34 HD1 TYR 34 16.680 8.728 -3.048 230 HD2 TYR 34 HD2 TYR 34 20.660 7.924 -1.775 231 HE1 TYR 34 HE1 TYR 34 15.827 8.001 -0.859 232 HE2 TYR 34 HE2 TYR 34 19.818 7.193 0.417 233 HH TYR 34 HH TYR 34 17.025 6.225 1.084 234 H GLU 35 H GLU 35 16.745 9.049 -6.438 235 HA GLU 35 HA GLU 35 18.476 10.002 -8.604 236 HB2 GLU 35 HB2 GLU 35 15.622 9.200 -8.404 237 HB3 GLU 35 HB3 GLU 35 16.015 10.467 -9.557 238 HG2 GLU 35 HG2 GLU 35 17.845 8.828 -10.366 239 HG3 GLU 35 HG3 GLU 35 16.889 7.613 -9.520 240 H LEU 36 H LEU 36 19.238 11.981 -8.166 241 HA LEU 36 HA LEU 36 17.564 13.946 -6.828 242 HB2 LEU 36 HB2 LEU 36 20.446 13.843 -7.638 243 HB3 LEU 36 HB3 LEU 36 19.696 15.363 -7.156 244 HG LEU 36 HG LEU 36 19.030 13.964 -5.021 245 HD11 LEU 36 HD11 LEU 36 19.890 11.841 -5.811 246 HD12 LEU 36 HD12 LEU 36 20.809 12.387 -4.409 247 HD13 LEU 36 HD13 LEU 36 21.493 12.546 -6.027 248 HD21 LEU 36 HD21 LEU 36 21.675 15.239 -5.651 249 HD22 LEU 36 HD22 LEU 36 21.276 14.655 -4.036 250 HD23 LEU 36 HD23 LEU 36 20.301 15.923 -4.782 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.199 0.996 -1.232 2 HA2 GLY 1 HA2 GLY 1 3.406 1.295 -0.672 3 HA3 GLY 1 HA3 GLY 1 3.037 0.516 0.859 4 H ALA 2 H ALA 2 3.727 -0.183 -2.550 5 HA ALA 2 HA ALA 2 5.234 -2.545 -1.666 6 HB1 ALA 2 HB1 ALA 2 4.376 -3.819 -3.595 7 HB2 ALA 2 HB2 ALA 2 3.107 -3.384 -2.450 8 HB3 ALA 2 HB3 ALA 2 3.277 -2.488 -3.959 9 H CYS 3 H CYS 3 7.246 -1.786 -2.063 10 HA CYS 3 HA CYS 3 8.104 -1.579 -4.783 11 HB2 CYS 3 HB2 CYS 3 9.082 0.735 -4.496 12 HB3 CYS 3 HB3 CYS 3 7.331 0.673 -4.662 13 H LEU 4 H LEU 4 10.536 -0.550 -4.633 14 HA LEU 4 HA LEU 4 11.847 -2.116 -2.512 15 HB2 LEU 4 HB2 LEU 4 12.892 -1.336 -5.230 16 HB3 LEU 4 HB3 LEU 4 13.770 -2.273 -4.022 17 HG LEU 4 HG LEU 4 11.224 -3.170 -5.371 18 HD11 LEU 4 HD11 LEU 4 14.069 -4.012 -5.906 19 HD12 LEU 4 HD12 LEU 4 13.095 -2.982 -6.954 20 HD13 LEU 4 HD13 LEU 4 12.619 -4.657 -6.675 21 HD21 LEU 4 HD21 LEU 4 13.052 -4.356 -3.330 22 HD22 LEU 4 HD22 LEU 4 12.211 -5.410 -4.468 23 HD23 LEU 4 HD23 LEU 4 11.289 -4.354 -3.397 24 H GLY 5 H GLY 5 12.695 -0.923 -0.946 25 HA2 GLY 5 HA2 GLY 5 13.069 1.883 -1.146 26 HA3 GLY 5 HA3 GLY 5 13.611 0.862 0.177 27 H PHE 6 H PHE 6 15.326 2.691 -0.150 28 HA PHE 6 HA PHE 6 17.186 2.430 -2.268 29 HB2 PHE 6 HB2 PHE 6 16.986 4.480 -0.924 30 HB3 PHE 6 HB3 PHE 6 17.576 3.613 0.489 31 HD1 PHE 6 HD2 PHE 6 18.523 4.707 -2.922 32 HD2 PHE 6 HD1 PHE 6 19.864 3.425 0.909 33 HE1 PHE 6 HE2 PHE 6 20.833 5.278 -3.544 34 HE2 PHE 6 HE1 PHE 6 22.177 3.995 0.293 35 HZ PHE 6 HZ PHE 6 22.664 4.921 -1.936 36 H GLY 7 H GLY 7 18.935 1.161 -2.521 37 HA2 GLY 7 HA2 GLY 7 20.703 -0.236 -1.892 38 HA3 GLY 7 HA3 GLY 7 20.070 -0.261 -0.253 39 H LYS 8 H LYS 8 17.782 -0.875 -2.715 40 HA LYS 8 HA LYS 8 17.730 -3.702 -1.936 41 HB2 LYS 8 HB2 LYS 8 15.633 -2.006 -3.305 42 HB3 LYS 8 HB3 LYS 8 15.437 -3.698 -2.865 43 HG2 LYS 8 HG2 LYS 8 15.957 -1.470 -0.907 44 HG3 LYS 8 HG3 LYS 8 14.365 -2.135 -1.283 45 HD2 LYS 8 HD2 LYS 8 16.678 -3.750 -0.213 46 HD3 LYS 8 HD3 LYS 8 15.389 -3.072 0.785 47 HE2 LYS 8 HE2 LYS 8 14.448 -5.096 0.448 48 HE3 LYS 8 HE3 LYS 8 13.915 -4.354 -1.060 49 HZ1 LYS 8 HZ1 LYS 8 15.359 -6.643 -0.842 50 HZ2 LYS 8 HZ2 LYS 8 16.537 -5.498 -1.246 51 HZ3 LYS 8 HZ3 LYS 8 15.191 -5.716 -2.247 52 H SER 9 H SER 9 17.449 -5.346 -3.524 53 HA SER 9 HA SER 9 18.934 -4.811 -5.945 54 HB2 SER 9 HB2 SER 9 18.509 -7.332 -6.296 55 HB3 SER 9 HB3 SER 9 19.529 -6.855 -4.938 56 HG SER 9 HG SER 9 16.773 -7.529 -4.831 57 H CYS 10 H CYS 10 17.858 -3.855 -7.553 58 HA CYS 10 HA CYS 10 15.180 -4.882 -8.233 59 HB2 CYS 10 HB2 CYS 10 14.802 -2.656 -9.311 60 HB3 CYS 10 HB3 CYS 10 15.017 -2.575 -7.565 61 H ASN 11 H ASN 11 14.693 -4.292 -10.665 62 HA ASN 11 HA ASN 11 16.946 -5.360 -12.227 63 HB2 ASN 11 HB2 ASN 11 14.628 -6.568 -12.019 64 HB3 ASN 11 HB3 ASN 11 14.116 -5.380 -13.214 65 HD21 ASN 11 HD21 ASN 11 14.212 -6.088 -15.206 66 HD22 ASN 11 HD22 ASN 11 15.350 -7.225 -15.836 67 HA PRO 12 HA PRO 12 17.207 -1.505 -14.358 68 HB2 PRO 12 HB2 PRO 12 18.618 -2.357 -16.516 69 HB3 PRO 12 HB3 PRO 12 19.342 -2.142 -14.918 70 HG2 PRO 12 HG2 PRO 12 18.388 -4.651 -16.242 71 HG3 PRO 12 HG3 PRO 12 19.866 -4.375 -15.303 72 HD2 PRO 12 HD2 PRO 12 17.677 -5.575 -14.254 73 HD3 PRO 12 HD3 PRO 12 18.770 -4.567 -13.284 74 H SER 13 H SER 13 16.283 -4.398 -16.208 75 HA SER 13 HA SER 13 15.104 -2.971 -18.359 76 HB2 SER 13 HB2 SER 13 15.891 -5.443 -18.259 77 HB3 SER 13 HB3 SER 13 14.293 -5.762 -17.586 78 HG SER 13 HG SER 13 13.371 -4.966 -19.459 79 H ASN 14 H ASN 14 14.021 -3.823 -15.206 80 HA ASN 14 HA ASN 14 11.412 -2.630 -15.801 81 HB2 ASN 14 HB2 ASN 14 11.478 -5.264 -15.686 82 HB3 ASN 14 HB3 ASN 14 11.506 -4.978 -13.949 83 HD21 ASN 14 HD21 ASN 14 9.486 -5.881 -13.645 84 HD22 ASN 14 HD22 ASN 14 8.033 -5.093 -14.147 85 H ASP 15 H ASP 15 12.833 -0.901 -14.763 86 HA ASP 15 HA ASP 15 13.676 -0.906 -12.143 87 HB2 ASP 15 HB2 ASP 15 14.258 1.003 -13.343 88 HB3 ASP 15 HB3 ASP 15 12.617 1.255 -13.931 89 H GLN 16 H GLN 16 12.620 -1.433 -10.356 90 HA GLN 16 HA GLN 16 9.896 -0.410 -9.973 91 HB2 GLN 16 HB2 GLN 16 10.780 -3.223 -9.307 92 HB3 GLN 16 HB3 GLN 16 9.195 -2.534 -8.980 93 HG2 GLN 16 HG2 GLN 16 9.847 -2.240 -11.758 94 HG3 GLN 16 HG3 GLN 16 10.023 -3.922 -11.260 95 HE21 GLN 16 HE21 GLN 16 7.982 -2.164 -12.810 96 HE22 GLN 16 HE22 GLN 16 6.465 -2.726 -12.205 97 H CYS 17 H CYS 17 11.122 1.191 -8.732 98 HA CYS 17 HA CYS 17 11.885 0.171 -6.073 99 HB2 CYS 17 HB2 CYS 17 12.944 2.541 -7.619 100 HB3 CYS 17 HB3 CYS 17 13.272 2.279 -5.909 101 H CYS 18 H CYS 18 11.902 2.356 -4.561 102 HA CYS 18 HA CYS 18 9.087 3.055 -4.420 103 HB2 CYS 18 HB2 CYS 18 11.403 3.565 -2.545 104 HB3 CYS 18 HB3 CYS 18 9.755 4.100 -2.234 105 H LYS 19 H LYS 19 8.552 4.636 -5.817 106 HA LYS 19 HA LYS 19 10.237 6.765 -6.586 107 HB2 LYS 19 HB2 LYS 19 7.218 6.664 -6.691 108 HB3 LYS 19 HB3 LYS 19 8.261 7.722 -7.632 109 HG2 LYS 19 HG2 LYS 19 8.208 4.717 -7.828 110 HG3 LYS 19 HG3 LYS 19 7.408 5.831 -8.939 111 HD2 LYS 19 HD2 LYS 19 9.596 6.812 -9.497 112 HD3 LYS 19 HD3 LYS 19 10.377 5.653 -8.419 113 HE2 LYS 19 HE2 LYS 19 10.615 4.585 -10.434 114 HE3 LYS 19 HE3 LYS 19 9.086 3.901 -9.884 115 HZ1 LYS 19 HZ1 LYS 19 9.606 5.401 -12.209 116 HZ2 LYS 19 HZ2 LYS 19 8.492 6.244 -11.256 117 HZ3 LYS 19 HZ3 LYS 19 8.164 4.655 -11.734 118 H SER 20 H SER 20 7.911 6.381 -3.998 119 HA SER 20 HA SER 20 7.495 9.027 -3.271 120 HB2 SER 20 HB2 SER 20 6.837 8.203 -1.112 121 HB3 SER 20 HB3 SER 20 6.344 7.003 -2.307 122 HG SER 20 HG SER 20 7.382 5.724 -0.973 123 H SER 21 H SER 21 10.226 6.922 -2.647 124 HA SER 21 HA SER 21 11.508 8.999 -1.025 125 HB2 SER 21 HB2 SER 21 11.401 6.469 -0.392 126 HB3 SER 21 HB3 SER 21 12.713 6.300 -1.559 127 HG SER 21 HG SER 21 13.465 6.671 0.585 128 H SER 22 H SER 22 11.129 8.950 -4.036 129 HA SER 22 HA SER 22 12.294 9.453 -5.929 130 HB2 SER 22 HB2 SER 22 12.968 11.280 -4.143 131 HB3 SER 22 HB3 SER 22 14.550 10.513 -4.275 132 HG SER 22 HG SER 22 14.803 11.486 -6.109 133 H LEU 23 H LEU 23 12.570 6.947 -5.793 134 HA LEU 23 HA LEU 23 15.453 6.342 -5.896 135 HB2 LEU 23 HB2 LEU 23 13.130 4.551 -5.208 136 HB3 LEU 23 HB3 LEU 23 14.775 3.976 -5.474 137 HG LEU 23 HG LEU 23 13.869 5.824 -3.266 138 HD11 LEU 23 HD11 LEU 23 13.270 3.321 -3.214 139 HD12 LEU 23 HD12 LEU 23 14.054 4.029 -1.803 140 HD13 LEU 23 HD13 LEU 23 14.995 3.068 -2.943 141 HD21 LEU 23 HD21 LEU 23 16.586 4.670 -3.887 142 HD22 LEU 23 HD22 LEU 23 16.160 5.534 -2.409 143 HD23 LEU 23 HD23 LEU 23 16.122 6.370 -3.962 144 H ALA 24 H ALA 24 16.054 4.628 -7.448 145 HA ALA 24 HA ALA 24 14.274 3.964 -9.586 146 HB1 ALA 24 HB1 ALA 24 15.034 6.419 -9.959 147 HB2 ALA 24 HB2 ALA 24 16.553 5.684 -10.472 148 HB3 ALA 24 HB3 ALA 24 15.055 5.288 -11.312 149 H CYS 25 H CYS 25 15.172 2.460 -11.055 150 HA CYS 25 HA CYS 25 17.534 1.103 -9.996 151 HB2 CYS 25 HB2 CYS 25 15.217 0.009 -10.603 152 HB3 CYS 25 HB3 CYS 25 15.877 0.008 -12.235 153 H SER 26 H SER 26 19.443 1.500 -10.875 154 HA SER 26 HA SER 26 19.568 2.494 -13.633 155 HB2 SER 26 HB2 SER 26 20.775 3.442 -11.360 156 HB3 SER 26 HB3 SER 26 22.060 2.467 -12.073 157 HG SER 26 HG SER 26 20.583 4.437 -13.482 158 H THR 27 H THR 27 20.761 1.495 -15.205 159 HA THR 27 HA THR 27 21.266 -1.309 -14.844 160 HB THR 27 HB THR 27 22.099 0.244 -17.278 161 HG1 THR 27 HG1 THR 27 19.997 0.223 -17.992 162 HG21 THR 27 HG21 THR 27 21.949 -2.500 -16.558 163 HG22 THR 27 HG22 THR 27 22.435 -1.797 -18.101 164 HG23 THR 27 HG23 THR 27 20.743 -2.200 -17.809 165 H LYS 28 H LYS 28 23.018 1.298 -13.974 166 HA LYS 28 HA LYS 28 25.624 0.322 -14.815 167 HB2 LYS 28 HB2 LYS 28 24.648 2.837 -14.304 168 HB3 LYS 28 HB3 LYS 28 25.548 2.486 -12.834 169 HG2 LYS 28 HG2 LYS 28 27.543 2.594 -13.869 170 HG3 LYS 28 HG3 LYS 28 26.934 1.861 -15.355 171 HD2 LYS 28 HD2 LYS 28 27.113 3.927 -16.211 172 HD3 LYS 28 HD3 LYS 28 25.621 4.257 -15.327 173 HE2 LYS 28 HE2 LYS 28 27.203 5.991 -14.832 174 HE3 LYS 28 HE3 LYS 28 26.999 4.991 -13.394 175 HZ1 LYS 28 HZ1 LYS 28 29.356 5.649 -14.106 176 HZ2 LYS 28 HZ2 LYS 28 29.189 4.460 -15.297 177 HZ3 LYS 28 HZ3 LYS 28 29.078 4.040 -13.662 178 H HIS 29 H HIS 29 23.895 0.912 -11.761 179 HA HIS 29 HA HIS 29 25.839 -0.821 -10.398 180 HB2 HIS 29 HB2 HIS 29 23.948 1.285 -9.348 181 HB3 HIS 29 HB3 HIS 29 24.829 0.179 -8.299 182 HD1 HIS 29 HD1 HIS 29 27.554 0.289 -9.853 183 HD2 HIS 29 HD2 HIS 29 25.302 3.584 -8.698 184 HE1 HIS 29 HE1 HIS 29 29.178 2.205 -9.734 185 H LYS 30 H LYS 30 22.610 -0.639 -11.489 186 HA LYS 30 HA LYS 30 20.833 -2.052 -11.354 187 HB2 LYS 30 HB2 LYS 30 23.148 -3.826 -10.718 188 HB3 LYS 30 HB3 LYS 30 21.523 -4.453 -10.476 189 HG2 LYS 30 HG2 LYS 30 21.169 -3.550 -12.921 190 HG3 LYS 30 HG3 LYS 30 22.924 -3.724 -12.993 191 HD2 LYS 30 HD2 LYS 30 21.101 -5.933 -12.068 192 HD3 LYS 30 HD3 LYS 30 21.565 -5.721 -13.758 193 HE2 LYS 30 HE2 LYS 30 23.638 -5.870 -11.600 194 HE3 LYS 30 HE3 LYS 30 22.931 -7.338 -12.273 195 HZ1 LYS 30 HZ1 LYS 30 23.613 -5.793 -14.442 196 HZ2 LYS 30 HZ2 LYS 30 24.421 -7.172 -13.888 197 HZ3 LYS 30 HZ3 LYS 30 24.920 -5.638 -13.378 198 H TRP 31 H TRP 31 20.492 -0.406 -9.470 199 HA TRP 31 HA TRP 31 19.257 -1.818 -7.358 200 HB2 TRP 31 HB2 TRP 31 20.622 -1.303 -5.494 201 HB3 TRP 31 HB3 TRP 31 21.722 -1.941 -6.713 202 HD1 TRP 31 HD1 TRP 31 22.045 0.774 -8.413 203 HE1 TRP 31 HE1 TRP 31 23.454 2.688 -7.427 204 HE3 TRP 31 HE3 TRP 31 21.870 -0.549 -3.478 205 HZ2 TRP 31 HZ2 TRP 31 24.370 3.527 -4.892 206 HZ3 TRP 31 HZ3 TRP 31 23.039 0.862 -1.837 207 HH2 TRP 31 HH2 TRP 31 24.263 2.857 -2.531 208 H CYS 32 H CYS 32 18.170 -0.392 -5.835 209 HA CYS 32 HA CYS 32 17.097 1.895 -7.098 210 HB2 CYS 32 HB2 CYS 32 16.933 1.055 -4.195 211 HB3 CYS 32 HB3 CYS 32 15.913 2.264 -4.968 212 H LYS 33 H LYS 33 18.651 3.407 -7.577 213 HA LYS 33 HA LYS 33 20.227 4.507 -5.362 214 HB2 LYS 33 HB2 LYS 33 21.450 5.712 -7.210 215 HB3 LYS 33 HB3 LYS 33 21.591 3.959 -7.233 216 HG2 LYS 33 HG2 LYS 33 20.443 3.752 -9.171 217 HG3 LYS 33 HG3 LYS 33 19.402 5.137 -8.832 218 HD2 LYS 33 HD2 LYS 33 20.838 5.671 -10.690 219 HD3 LYS 33 HD3 LYS 33 21.326 6.634 -9.294 220 HE2 LYS 33 HE2 LYS 33 23.297 5.506 -9.033 221 HE3 LYS 33 HE3 LYS 33 22.657 4.011 -9.714 222 HZ1 LYS 33 HZ1 LYS 33 23.632 4.550 -11.610 223 HZ2 LYS 33 HZ2 LYS 33 24.130 6.045 -10.997 224 HZ3 LYS 33 HZ3 LYS 33 22.620 5.898 -11.745 225 H TYR 34 H TYR 34 20.099 6.633 -4.743 226 HA TYR 34 HA TYR 34 17.649 7.951 -4.990 227 HB2 TYR 34 HB2 TYR 34 20.366 8.797 -4.038 228 HB3 TYR 34 HB3 TYR 34 19.066 9.977 -4.157 229 HD1 TYR 34 HD1 TYR 34 16.729 8.862 -3.152 230 HD2 TYR 34 HD2 TYR 34 20.709 8.027 -1.900 231 HE1 TYR 34 HE1 TYR 34 15.883 8.159 -0.952 232 HE2 TYR 34 HE2 TYR 34 19.874 7.320 0.303 233 HH TYR 34 HH TYR 34 18.073 6.910 1.545 234 H GLU 35 H GLU 35 16.797 9.121 -6.570 235 HA GLU 35 HA GLU 35 18.566 10.101 -8.702 236 HB2 GLU 35 HB2 GLU 35 15.768 9.109 -8.630 237 HB3 GLU 35 HB3 GLU 35 16.127 10.391 -9.778 238 HG2 GLU 35 HG2 GLU 35 18.112 8.863 -10.460 239 HG3 GLU 35 HG3 GLU 35 17.168 7.598 -9.674 240 H LEU 36 H LEU 36 19.175 12.130 -8.252 241 HA LEU 36 HA LEU 36 17.054 14.094 -7.715 242 HB2 LEU 36 HB2 LEU 36 19.691 13.771 -6.323 243 HB3 LEU 36 HB3 LEU 36 18.858 15.323 -6.363 244 HG LEU 36 HG LEU 36 16.876 14.085 -5.322 245 HD11 LEU 36 HD11 LEU 36 18.018 12.153 -3.854 246 HD12 LEU 36 HD12 LEU 36 18.943 11.979 -5.345 247 HD13 LEU 36 HD13 LEU 36 17.184 11.850 -5.378 248 HD21 LEU 36 HD21 LEU 36 18.280 15.679 -4.112 249 HD22 LEU 36 HD22 LEU 36 19.428 14.392 -3.741 250 HD23 LEU 36 HD23 LEU 36 17.794 14.337 -3.077 Start of MODEL 12 1 H1 GLY 1 H GLY 1 3.701 1.218 -1.074 2 HA2 GLY 1 HA2 GLY 1 1.458 -0.323 -0.337 3 HA3 GLY 1 HA3 GLY 1 1.465 -0.128 -2.084 4 H ALA 2 H ALA 2 3.564 -0.696 -3.175 5 HA ALA 2 HA ALA 2 5.181 -2.660 -1.766 6 HB1 ALA 2 HB1 ALA 2 4.736 -4.121 -3.980 7 HB2 ALA 2 HB2 ALA 2 3.831 -4.321 -2.479 8 HB3 ALA 2 HB3 ALA 2 3.157 -3.356 -3.793 9 H CYS 3 H CYS 3 7.127 -1.793 -2.137 10 HA CYS 3 HA CYS 3 8.081 -1.638 -4.866 11 HB2 CYS 3 HB2 CYS 3 8.980 0.682 -4.535 12 HB3 CYS 3 HB3 CYS 3 7.226 0.594 -4.662 13 H LEU 4 H LEU 4 10.485 -0.556 -4.622 14 HA LEU 4 HA LEU 4 11.777 -2.134 -2.497 15 HB2 LEU 4 HB2 LEU 4 12.884 -1.320 -5.180 16 HB3 LEU 4 HB3 LEU 4 13.722 -2.282 -3.965 17 HG LEU 4 HG LEU 4 11.187 -3.167 -5.332 18 HD11 LEU 4 HD11 LEU 4 13.960 -4.111 -5.991 19 HD12 LEU 4 HD12 LEU 4 13.177 -2.797 -6.869 20 HD13 LEU 4 HD13 LEU 4 12.458 -4.407 -6.867 21 HD21 LEU 4 HD21 LEU 4 12.285 -5.417 -4.568 22 HD22 LEU 4 HD22 LEU 4 11.344 -4.450 -3.432 23 HD23 LEU 4 HD23 LEU 4 13.107 -4.381 -3.400 24 H GLY 5 H GLY 5 12.784 -1.025 -0.962 25 HA2 GLY 5 HA2 GLY 5 13.048 1.819 -1.108 26 HA3 GLY 5 HA3 GLY 5 13.605 0.789 0.202 27 H PHE 6 H PHE 6 15.277 2.680 -0.144 28 HA PHE 6 HA PHE 6 17.147 2.436 -2.253 29 HB2 PHE 6 HB2 PHE 6 16.918 4.497 -0.949 30 HB3 PHE 6 HB3 PHE 6 17.482 3.660 0.493 31 HD1 PHE 6 HD2 PHE 6 18.478 4.847 -2.856 32 HD2 PHE 6 HD1 PHE 6 19.783 3.364 0.914 33 HE1 PHE 6 HE2 PHE 6 20.797 5.432 -3.433 34 HE2 PHE 6 HE1 PHE 6 22.104 3.948 0.344 35 HZ PHE 6 HZ PHE 6 22.614 4.984 -1.831 36 H GLY 7 H GLY 7 18.874 1.153 -2.514 37 HA2 GLY 7 HA2 GLY 7 20.698 -0.169 -1.841 38 HA3 GLY 7 HA3 GLY 7 20.029 -0.226 -0.216 39 H LYS 8 H LYS 8 17.813 -0.872 -2.734 40 HA LYS 8 HA LYS 8 17.830 -3.713 -1.997 41 HB2 LYS 8 HB2 LYS 8 15.688 -2.068 -3.357 42 HB3 LYS 8 HB3 LYS 8 15.543 -3.764 -2.917 43 HG2 LYS 8 HG2 LYS 8 16.051 -1.573 -0.921 44 HG3 LYS 8 HG3 LYS 8 14.440 -2.149 -1.356 45 HD2 LYS 8 HD2 LYS 8 15.549 -4.498 -0.800 46 HD3 LYS 8 HD3 LYS 8 16.584 -3.484 0.209 47 HE2 LYS 8 HE2 LYS 8 14.200 -2.480 0.890 48 HE3 LYS 8 HE3 LYS 8 13.702 -4.117 0.462 49 HZ1 LYS 8 HZ1 LYS 8 14.957 -5.032 2.141 50 HZ2 LYS 8 HZ2 LYS 8 14.430 -3.599 2.868 51 HZ3 LYS 8 HZ3 LYS 8 16.002 -3.705 2.253 52 H SER 9 H SER 9 17.575 -5.330 -3.627 53 HA SER 9 HA SER 9 19.058 -4.700 -6.033 54 HB2 SER 9 HB2 SER 9 18.773 -7.214 -6.433 55 HB3 SER 9 HB3 SER 9 19.709 -6.739 -5.016 56 HG SER 9 HG SER 9 17.776 -8.374 -4.961 57 H CYS 10 H CYS 10 17.953 -3.768 -7.633 58 HA CYS 10 HA CYS 10 15.308 -4.871 -8.322 59 HB2 CYS 10 HB2 CYS 10 14.862 -2.647 -9.378 60 HB3 CYS 10 HB3 CYS 10 15.072 -2.578 -7.632 61 H ASN 11 H ASN 11 14.799 -4.277 -10.747 62 HA ASN 11 HA ASN 11 17.086 -5.251 -12.322 63 HB2 ASN 11 HB2 ASN 11 14.902 -6.611 -12.149 64 HB3 ASN 11 HB3 ASN 11 14.209 -5.381 -13.201 65 HD21 ASN 11 HD21 ASN 11 14.367 -5.701 -15.300 66 HD22 ASN 11 HD22 ASN 11 15.470 -6.778 -16.081 67 HA PRO 12 HA PRO 12 17.196 -1.369 -14.419 68 HB2 PRO 12 HB2 PRO 12 18.639 -2.148 -16.583 69 HB3 PRO 12 HB3 PRO 12 19.355 -1.917 -14.983 70 HG2 PRO 12 HG2 PRO 12 18.499 -4.451 -16.328 71 HG3 PRO 12 HG3 PRO 12 19.966 -4.125 -15.386 72 HD2 PRO 12 HD2 PRO 12 17.826 -5.419 -14.349 73 HD3 PRO 12 HD3 PRO 12 18.878 -4.376 -13.370 74 H SER 13 H SER 13 16.393 -4.279 -16.299 75 HA SER 13 HA SER 13 15.191 -2.923 -18.463 76 HB2 SER 13 HB2 SER 13 15.864 -5.530 -17.944 77 HB3 SER 13 HB3 SER 13 14.103 -5.588 -17.865 78 HG SER 13 HG SER 13 15.069 -5.904 -19.999 79 H ASN 14 H ASN 14 14.066 -3.753 -15.303 80 HA ASN 14 HA ASN 14 11.503 -2.478 -15.905 81 HB2 ASN 14 HB2 ASN 14 11.469 -5.111 -15.912 82 HB3 ASN 14 HB3 ASN 14 11.481 -4.911 -14.162 83 HD21 ASN 14 HD21 ASN 14 9.380 -6.088 -14.642 84 HD22 ASN 14 HD22 ASN 14 7.981 -5.094 -14.848 85 H ASP 15 H ASP 15 12.988 -0.859 -14.760 86 HA ASP 15 HA ASP 15 13.749 -1.015 -12.119 87 HB2 ASP 15 HB2 ASP 15 13.502 1.463 -12.064 88 HB3 ASP 15 HB3 ASP 15 14.361 0.882 -13.488 89 H GLN 16 H GLN 16 12.631 -1.513 -10.364 90 HA GLN 16 HA GLN 16 9.923 -0.421 -10.052 91 HB2 GLN 16 HB2 GLN 16 10.738 -3.260 -9.407 92 HB3 GLN 16 HB3 GLN 16 9.169 -2.544 -9.063 93 HG2 GLN 16 HG2 GLN 16 9.572 -2.105 -11.780 94 HG3 GLN 16 HG3 GLN 16 10.156 -3.742 -11.489 95 HE21 GLN 16 HE21 GLN 16 8.656 -5.105 -10.135 96 HE22 GLN 16 HE22 GLN 16 6.969 -4.985 -10.485 97 H CYS 17 H CYS 17 11.140 1.149 -8.765 98 HA CYS 17 HA CYS 17 11.829 0.101 -6.098 99 HB2 CYS 17 HB2 CYS 17 12.908 2.500 -7.583 100 HB3 CYS 17 HB3 CYS 17 13.209 2.202 -5.874 101 H CYS 18 H CYS 18 11.804 2.264 -4.557 102 HA CYS 18 HA CYS 18 8.986 2.929 -4.437 103 HB2 CYS 18 HB2 CYS 18 11.293 3.506 -2.571 104 HB3 CYS 18 HB3 CYS 18 9.635 4.015 -2.264 105 H LYS 19 H LYS 19 8.358 4.517 -5.766 106 HA LYS 19 HA LYS 19 10.010 6.663 -6.599 107 HB2 LYS 19 HB2 LYS 19 6.992 6.581 -6.657 108 HB3 LYS 19 HB3 LYS 19 8.052 7.540 -7.682 109 HG2 LYS 19 HG2 LYS 19 7.922 4.532 -7.683 110 HG3 LYS 19 HG3 LYS 19 7.095 5.585 -8.833 111 HD2 LYS 19 HD2 LYS 19 9.478 6.561 -9.231 112 HD3 LYS 19 HD3 LYS 19 10.019 5.038 -8.520 113 HE2 LYS 19 HE2 LYS 19 8.099 5.212 -10.835 114 HE3 LYS 19 HE3 LYS 19 9.844 5.055 -11.028 115 HZ1 LYS 19 HZ1 LYS 19 9.540 3.024 -9.491 116 HZ2 LYS 19 HZ2 LYS 19 9.127 2.884 -11.125 117 HZ3 LYS 19 HZ3 LYS 19 7.917 3.101 -9.962 118 H SER 20 H SER 20 7.714 6.254 -3.986 119 HA SER 20 HA SER 20 7.282 8.908 -3.276 120 HB2 SER 20 HB2 SER 20 6.685 8.071 -1.069 121 HB3 SER 20 HB3 SER 20 6.071 6.970 -2.302 122 HG SER 20 HG SER 20 7.617 6.374 -0.271 123 H SER 21 H SER 21 9.987 6.780 -2.581 124 HA SER 21 HA SER 21 11.261 8.840 -0.944 125 HB2 SER 21 HB2 SER 21 12.270 6.056 -1.561 126 HB3 SER 21 HB3 SER 21 12.852 7.144 -0.301 127 HG SER 21 HG SER 21 10.891 6.914 0.761 128 H SER 22 H SER 22 10.890 8.817 -3.975 129 HA SER 22 HA SER 22 12.056 9.387 -5.849 130 HB2 SER 22 HB2 SER 22 13.571 10.675 -3.615 131 HB3 SER 22 HB3 SER 22 14.247 10.734 -5.243 132 HG SER 22 HG SER 22 12.170 12.124 -4.184 133 H LEU 23 H LEU 23 12.383 6.878 -5.732 134 HA LEU 23 HA LEU 23 15.277 6.334 -5.826 135 HB2 LEU 23 HB2 LEU 23 12.982 4.484 -5.207 136 HB3 LEU 23 HB3 LEU 23 14.641 3.948 -5.460 137 HG LEU 23 HG LEU 23 13.655 5.721 -3.226 138 HD11 LEU 23 HD11 LEU 23 13.879 3.900 -1.804 139 HD12 LEU 23 HD12 LEU 23 14.877 3.002 -2.946 140 HD13 LEU 23 HD13 LEU 23 13.150 3.193 -3.246 141 HD21 LEU 23 HD21 LEU 23 15.931 5.534 -2.349 142 HD22 LEU 23 HD22 LEU 23 15.907 6.343 -3.916 143 HD23 LEU 23 HD23 LEU 23 16.420 4.658 -3.800 144 H ALA 24 H ALA 24 15.922 4.650 -7.401 145 HA ALA 24 HA ALA 24 14.182 4.012 -9.578 146 HB1 ALA 24 HB1 ALA 24 16.262 6.150 -9.964 147 HB2 ALA 24 HB2 ALA 24 15.562 5.232 -11.298 148 HB3 ALA 24 HB3 ALA 24 14.531 6.244 -10.287 149 H CYS 25 H CYS 25 15.114 2.544 -11.060 150 HA CYS 25 HA CYS 25 17.484 1.199 -9.998 151 HB2 CYS 25 HB2 CYS 25 15.191 0.075 -10.617 152 HB3 CYS 25 HB3 CYS 25 15.839 0.114 -12.254 153 H SER 26 H SER 26 19.369 1.795 -10.828 154 HA SER 26 HA SER 26 19.504 2.809 -13.562 155 HB2 SER 26 HB2 SER 26 20.735 3.638 -11.261 156 HB3 SER 26 HB3 SER 26 22.003 2.670 -12.013 157 HG SER 26 HG SER 26 20.593 4.508 -13.587 158 H THR 27 H THR 27 20.642 1.854 -15.193 159 HA THR 27 HA THR 27 21.132 -0.966 -14.954 160 HB THR 27 HB THR 27 21.876 0.729 -17.331 161 HG1 THR 27 HG1 THR 27 19.794 1.262 -17.217 162 HG21 THR 27 HG21 THR 27 22.608 -1.414 -17.766 163 HG22 THR 27 HG22 THR 27 20.966 -1.488 -18.406 164 HG23 THR 27 HG23 THR 27 21.324 -2.160 -16.816 165 H LYS 28 H LYS 28 22.924 1.602 -14.035 166 HA LYS 28 HA LYS 28 25.503 0.578 -14.933 167 HB2 LYS 28 HB2 LYS 28 24.482 3.128 -13.999 168 HB3 LYS 28 HB3 LYS 28 25.947 2.674 -13.139 169 HG2 LYS 28 HG2 LYS 28 25.677 2.775 -16.136 170 HG3 LYS 28 HG3 LYS 28 26.376 4.050 -15.136 171 HD2 LYS 28 HD2 LYS 28 27.436 1.272 -14.893 172 HD3 LYS 28 HD3 LYS 28 27.904 2.249 -16.287 173 HE2 LYS 28 HE2 LYS 28 29.496 3.110 -14.985 174 HE3 LYS 28 HE3 LYS 28 28.206 3.972 -14.147 175 HZ1 LYS 28 HZ1 LYS 28 29.927 2.182 -13.028 176 HZ2 LYS 28 HZ2 LYS 28 28.507 1.283 -13.220 177 HZ3 LYS 28 HZ3 LYS 28 28.480 2.728 -12.341 178 H HIS 29 H HIS 29 23.837 1.278 -11.866 179 HA HIS 29 HA HIS 29 25.796 -0.401 -10.469 180 HB2 HIS 29 HB2 HIS 29 23.763 1.575 -9.418 181 HB3 HIS 29 HB3 HIS 29 24.806 0.590 -8.397 182 HD1 HIS 29 HD1 HIS 29 27.385 0.994 -10.232 183 HD2 HIS 29 HD2 HIS 29 24.933 3.985 -8.715 184 HE1 HIS 29 HE1 HIS 29 28.807 3.067 -10.180 185 H LYS 30 H LYS 30 22.535 -0.314 -11.537 186 HA LYS 30 HA LYS 30 20.811 -1.791 -11.398 187 HB2 LYS 30 HB2 LYS 30 23.201 -3.489 -10.849 188 HB3 LYS 30 HB3 LYS 30 21.610 -4.181 -10.562 189 HG2 LYS 30 HG2 LYS 30 21.194 -3.193 -13.003 190 HG3 LYS 30 HG3 LYS 30 22.937 -3.452 -13.100 191 HD2 LYS 30 HD2 LYS 30 21.426 -5.677 -11.921 192 HD3 LYS 30 HD3 LYS 30 21.056 -5.349 -13.616 193 HE2 LYS 30 HE2 LYS 30 23.827 -5.759 -12.497 194 HE3 LYS 30 HE3 LYS 30 22.876 -6.999 -13.314 195 HZ1 LYS 30 HZ1 LYS 30 24.565 -5.150 -14.478 196 HZ2 LYS 30 HZ2 LYS 30 23.002 -4.649 -14.889 197 HZ3 LYS 30 HZ3 LYS 30 23.515 -6.215 -15.270 198 H TRP 31 H TRP 31 20.448 -0.190 -9.481 199 HA TRP 31 HA TRP 31 19.286 -1.667 -7.379 200 HB2 TRP 31 HB2 TRP 31 20.676 -1.207 -5.532 201 HB3 TRP 31 HB3 TRP 31 21.781 -1.742 -6.794 202 HD1 TRP 31 HD1 TRP 31 22.061 1.008 -8.379 203 HE1 TRP 31 HE1 TRP 31 23.376 2.948 -7.314 204 HE3 TRP 31 HE3 TRP 31 21.803 -0.429 -3.480 205 HZ2 TRP 31 HZ2 TRP 31 24.195 3.761 -4.739 206 HZ3 TRP 31 HZ3 TRP 31 22.879 0.985 -1.778 207 HH2 TRP 31 HH2 TRP 31 24.050 3.036 -2.396 208 H CYS 32 H CYS 32 18.134 -0.326 -5.867 209 HA CYS 32 HA CYS 32 17.037 1.986 -7.040 210 HB2 CYS 32 HB2 CYS 32 16.900 1.077 -4.157 211 HB3 CYS 32 HB3 CYS 32 15.844 2.268 -4.909 212 H LYS 33 H LYS 33 18.535 3.557 -7.475 213 HA LYS 33 HA LYS 33 20.102 4.619 -5.233 214 HB2 LYS 33 HB2 LYS 33 21.303 5.893 -7.056 215 HB3 LYS 33 HB3 LYS 33 21.488 4.145 -7.103 216 HG2 LYS 33 HG2 LYS 33 20.324 3.932 -9.039 217 HG3 LYS 33 HG3 LYS 33 19.287 5.320 -8.699 218 HD2 LYS 33 HD2 LYS 33 20.718 5.881 -10.539 219 HD3 LYS 33 HD3 LYS 33 21.246 6.802 -9.129 220 HE2 LYS 33 HE2 LYS 33 23.147 5.489 -8.834 221 HE3 LYS 33 HE3 LYS 33 22.494 4.160 -9.790 222 HZ1 LYS 33 HZ1 LYS 33 22.576 6.191 -11.567 223 HZ2 LYS 33 HZ2 LYS 33 23.758 4.991 -11.412 224 HZ3 LYS 33 HZ3 LYS 33 23.962 6.483 -10.642 225 H TYR 34 H TYR 34 19.992 6.767 -4.623 226 HA TYR 34 HA TYR 34 17.510 8.038 -4.787 227 HB2 TYR 34 HB2 TYR 34 20.242 8.948 -3.934 228 HB3 TYR 34 HB3 TYR 34 18.902 10.088 -3.991 229 HD1 TYR 34 HD1 TYR 34 16.641 8.635 -2.986 230 HD2 TYR 34 HD2 TYR 34 20.701 8.438 -1.730 231 HE1 TYR 34 HE1 TYR 34 15.909 7.891 -0.759 232 HE2 TYR 34 HE2 TYR 34 19.981 7.691 0.500 233 HH TYR 34 HH TYR 34 17.846 6.453 1.427 234 H GLU 35 H GLU 35 16.585 9.195 -6.335 235 HA GLU 35 HA GLU 35 18.056 9.883 -8.716 236 HB2 GLU 35 HB2 GLU 35 15.186 9.987 -7.881 237 HB3 GLU 35 HB3 GLU 35 15.706 10.931 -9.270 238 HG2 GLU 35 HG2 GLU 35 16.761 8.671 -10.041 239 HG3 GLU 35 HG3 GLU 35 15.588 7.977 -8.923 240 H LEU 36 H LEU 36 19.373 11.595 -8.576 241 HA LEU 36 HA LEU 36 18.399 14.017 -7.228 242 HB2 LEU 36 HB2 LEU 36 21.213 13.363 -8.083 243 HB3 LEU 36 HB3 LEU 36 20.697 14.716 -7.078 244 HG LEU 36 HG LEU 36 20.185 11.932 -6.133 245 HD11 LEU 36 HD11 LEU 36 22.606 12.724 -4.994 246 HD12 LEU 36 HD12 LEU 36 22.794 12.991 -6.727 247 HD13 LEU 36 HD13 LEU 36 22.338 11.397 -6.125 248 HD21 LEU 36 HD21 LEU 36 19.259 13.469 -4.686 249 HD22 LEU 36 HD22 LEU 36 20.541 14.652 -4.950 250 HD23 LEU 36 HD23 LEU 36 20.851 13.219 -3.968 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.792 -0.247 0.332 2 HA2 GLY 1 HA2 GLY 1 2.905 0.884 -1.196 3 HA3 GLY 1 HA3 GLY 1 2.985 0.427 0.499 4 H ALA 2 H ALA 2 3.605 -0.549 -2.772 5 HA ALA 2 HA ALA 2 5.214 -2.781 -1.745 6 HB1 ALA 2 HB1 ALA 2 3.185 -3.795 -2.557 7 HB2 ALA 2 HB2 ALA 2 3.322 -2.928 -4.088 8 HB3 ALA 2 HB3 ALA 2 4.504 -4.168 -3.667 9 H CYS 3 H CYS 3 7.190 -1.917 -2.106 10 HA CYS 3 HA CYS 3 8.084 -1.701 -4.830 11 HB2 CYS 3 HB2 CYS 3 9.006 0.619 -4.515 12 HB3 CYS 3 HB3 CYS 3 7.252 0.536 -4.645 13 H LEU 4 H LEU 4 10.496 -0.631 -4.630 14 HA LEU 4 HA LEU 4 11.812 -2.214 -2.524 15 HB2 LEU 4 HB2 LEU 4 12.881 -1.374 -5.215 16 HB3 LEU 4 HB3 LEU 4 13.746 -2.332 -4.015 17 HG LEU 4 HG LEU 4 11.206 -3.231 -5.368 18 HD11 LEU 4 HD11 LEU 4 13.158 -2.873 -6.924 19 HD12 LEU 4 HD12 LEU 4 12.506 -4.510 -6.870 20 HD13 LEU 4 HD13 LEU 4 14.002 -4.129 -6.017 21 HD21 LEU 4 HD21 LEU 4 11.362 -4.504 -3.461 22 HD22 LEU 4 HD22 LEU 4 13.124 -4.437 -3.428 23 HD23 LEU 4 HD23 LEU 4 12.303 -5.476 -4.593 24 H GLY 5 H GLY 5 12.798 -1.103 -0.977 25 HA2 GLY 5 HA2 GLY 5 13.065 1.737 -1.099 26 HA3 GLY 5 HA3 GLY 5 13.640 0.693 0.193 27 H PHE 6 H PHE 6 15.303 2.591 -0.144 28 HA PHE 6 HA PHE 6 17.150 2.381 -2.278 29 HB2 PHE 6 HB2 PHE 6 16.922 4.424 -0.939 30 HB3 PHE 6 HB3 PHE 6 17.520 3.569 0.480 31 HD1 PHE 6 HD2 PHE 6 18.452 4.756 -2.895 32 HD2 PHE 6 HD1 PHE 6 19.822 3.340 0.878 33 HE1 PHE 6 HE2 PHE 6 20.756 5.367 -3.505 34 HE2 PHE 6 HE1 PHE 6 22.128 3.949 0.274 35 HZ PHE 6 HZ PHE 6 22.597 4.965 -1.920 36 H GLY 7 H GLY 7 18.900 1.129 -2.564 37 HA2 GLY 7 HA2 GLY 7 20.725 -0.207 -1.938 38 HA3 GLY 7 HA3 GLY 7 20.085 -0.275 -0.303 39 H LYS 8 H LYS 8 17.820 -0.911 -2.778 40 HA LYS 8 HA LYS 8 17.845 -3.751 -2.049 41 HB2 LYS 8 HB2 LYS 8 15.705 -2.090 -3.392 42 HB3 LYS 8 HB3 LYS 8 15.555 -3.794 -2.984 43 HG2 LYS 8 HG2 LYS 8 16.022 -1.600 -0.976 44 HG3 LYS 8 HG3 LYS 8 14.441 -2.275 -1.379 45 HD2 LYS 8 HD2 LYS 8 15.471 -4.545 -0.778 46 HD3 LYS 8 HD3 LYS 8 16.766 -3.611 -0.024 47 HE2 LYS 8 HE2 LYS 8 14.008 -2.819 0.671 48 HE3 LYS 8 HE3 LYS 8 14.537 -4.392 1.267 49 HZ1 LYS 8 HZ1 LYS 8 14.977 -2.141 2.575 50 HZ2 LYS 8 HZ2 LYS 8 16.381 -2.168 1.633 51 HZ3 LYS 8 HZ3 LYS 8 16.029 -3.464 2.663 52 H SER 9 H SER 9 17.513 -5.363 -3.699 53 HA SER 9 HA SER 9 19.015 -4.747 -6.103 54 HB2 SER 9 HB2 SER 9 17.985 -7.310 -4.893 55 HB3 SER 9 HB3 SER 9 18.707 -7.261 -6.501 56 HG SER 9 HG SER 9 20.270 -7.745 -4.930 57 H CYS 10 H CYS 10 17.907 -3.807 -7.696 58 HA CYS 10 HA CYS 10 15.254 -4.897 -8.374 59 HB2 CYS 10 HB2 CYS 10 14.804 -2.674 -9.419 60 HB3 CYS 10 HB3 CYS 10 15.041 -2.600 -7.676 61 H ASN 11 H ASN 11 14.737 -4.297 -10.796 62 HA ASN 11 HA ASN 11 17.017 -5.267 -12.384 63 HB2 ASN 11 HB2 ASN 11 14.881 -6.670 -12.205 64 HB3 ASN 11 HB3 ASN 11 14.119 -5.433 -13.201 65 HD21 ASN 11 HD21 ASN 11 14.269 -5.623 -15.324 66 HD22 ASN 11 HD22 ASN 11 15.344 -6.681 -16.167 67 HA PRO 12 HA PRO 12 17.076 -1.390 -14.493 68 HB2 PRO 12 HB2 PRO 12 18.509 -2.162 -16.666 69 HB3 PRO 12 HB3 PRO 12 19.235 -1.921 -15.072 70 HG2 PRO 12 HG2 PRO 12 18.391 -4.466 -16.404 71 HG3 PRO 12 HG3 PRO 12 19.862 -4.124 -15.475 72 HD2 PRO 12 HD2 PRO 12 17.742 -5.434 -14.417 73 HD3 PRO 12 HD3 PRO 12 18.793 -4.380 -13.449 74 H SER 13 H SER 13 16.284 -4.312 -16.360 75 HA SER 13 HA SER 13 15.065 -2.986 -18.526 76 HB2 SER 13 HB2 SER 13 15.832 -5.451 -18.328 77 HB3 SER 13 HB3 SER 13 14.247 -5.735 -17.611 78 HG SER 13 HG SER 13 14.464 -4.358 -20.053 79 H ASN 14 H ASN 14 13.957 -3.749 -15.344 80 HA ASN 14 HA ASN 14 11.406 -2.454 -15.941 81 HB2 ASN 14 HB2 ASN 14 11.322 -5.081 -15.966 82 HB3 ASN 14 HB3 ASN 14 11.357 -4.900 -14.214 83 HD21 ASN 14 HD21 ASN 14 9.329 -5.509 -16.558 84 HD22 ASN 14 HD22 ASN 14 7.907 -4.693 -16.011 85 H ASP 15 H ASP 15 12.866 -0.841 -14.794 86 HA ASP 15 HA ASP 15 13.666 -1.009 -12.166 87 HB2 ASP 15 HB2 ASP 15 13.472 1.443 -12.087 88 HB3 ASP 15 HB3 ASP 15 14.198 0.902 -13.598 89 H GLN 16 H GLN 16 12.592 -1.494 -10.380 90 HA GLN 16 HA GLN 16 9.875 -0.445 -10.027 91 HB2 GLN 16 HB2 GLN 16 10.719 -3.279 -9.396 92 HB3 GLN 16 HB3 GLN 16 9.143 -2.576 -9.057 93 HG2 GLN 16 HG2 GLN 16 9.600 -2.152 -11.786 94 HG3 GLN 16 HG3 GLN 16 10.112 -3.806 -11.455 95 HE21 GLN 16 HE21 GLN 16 8.583 -5.254 -11.698 96 HE22 GLN 16 HE22 GLN 16 6.890 -5.006 -11.463 97 H CYS 17 H CYS 17 11.094 1.127 -8.747 98 HA CYS 17 HA CYS 17 11.823 0.067 -6.095 99 HB2 CYS 17 HB2 CYS 17 12.884 2.479 -7.575 100 HB3 CYS 17 HB3 CYS 17 13.216 2.155 -5.876 101 H CYS 18 H CYS 18 11.823 2.232 -4.551 102 HA CYS 18 HA CYS 18 9.005 2.907 -4.405 103 HB2 CYS 18 HB2 CYS 18 11.329 3.425 -2.544 104 HB3 CYS 18 HB3 CYS 18 9.688 3.977 -2.226 105 H LYS 19 H LYS 19 8.368 4.525 -5.685 106 HA LYS 19 HA LYS 19 10.033 6.660 -6.524 107 HB2 LYS 19 HB2 LYS 19 7.013 6.599 -6.530 108 HB3 LYS 19 HB3 LYS 19 8.057 7.582 -7.548 109 HG2 LYS 19 HG2 LYS 19 7.903 4.576 -7.621 110 HG3 LYS 19 HG3 LYS 19 7.087 5.668 -8.742 111 HD2 LYS 19 HD2 LYS 19 9.525 6.616 -9.064 112 HD3 LYS 19 HD3 LYS 19 9.983 5.011 -8.490 113 HE2 LYS 19 HE2 LYS 19 7.968 5.325 -10.681 114 HE3 LYS 19 HE3 LYS 19 9.692 5.421 -11.035 115 HZ1 LYS 19 HZ1 LYS 19 9.877 3.229 -10.895 116 HZ2 LYS 19 HZ2 LYS 19 8.189 3.138 -10.835 117 HZ3 LYS 19 HZ3 LYS 19 9.085 3.170 -9.401 118 H SER 20 H SER 20 7.748 6.261 -3.892 119 HA SER 20 HA SER 20 7.373 8.906 -3.137 120 HB2 SER 20 HB2 SER 20 6.043 7.277 -2.051 121 HB3 SER 20 HB3 SER 20 7.453 6.352 -1.535 122 HG SER 20 HG SER 20 6.432 7.688 0.117 123 H SER 21 H SER 21 10.062 6.736 -2.501 124 HA SER 21 HA SER 21 11.390 8.772 -0.875 125 HB2 SER 21 HB2 SER 21 11.950 5.859 -1.410 126 HB3 SER 21 HB3 SER 21 13.142 6.903 -0.637 127 HG SER 21 HG SER 21 10.574 6.171 0.286 128 H SER 22 H SER 22 10.969 8.784 -3.895 129 HA SER 22 HA SER 22 12.113 9.337 -5.788 130 HB2 SER 22 HB2 SER 22 13.662 10.614 -3.572 131 HB3 SER 22 HB3 SER 22 14.323 10.667 -5.206 132 HG SER 22 HG SER 22 12.531 11.770 -5.890 133 H LEU 23 H LEU 23 12.426 6.834 -5.704 134 HA LEU 23 HA LEU 23 15.315 6.268 -5.827 135 HB2 LEU 23 HB2 LEU 23 13.016 4.427 -5.194 136 HB3 LEU 23 HB3 LEU 23 14.672 3.887 -5.460 137 HG LEU 23 HG LEU 23 13.701 5.649 -3.211 138 HD11 LEU 23 HD11 LEU 23 13.975 3.819 -1.796 139 HD12 LEU 23 HD12 LEU 23 14.923 2.922 -2.981 140 HD13 LEU 23 HD13 LEU 23 13.189 3.136 -3.219 141 HD21 LEU 23 HD21 LEU 23 15.948 6.279 -3.925 142 HD22 LEU 23 HD22 LEU 23 16.466 4.597 -3.804 143 HD23 LEU 23 HD23 LEU 23 15.983 5.478 -2.354 144 H ALA 24 H ALA 24 15.937 4.599 -7.421 145 HA ALA 24 HA ALA 24 14.167 3.972 -9.577 146 HB1 ALA 24 HB1 ALA 24 16.065 6.252 -9.849 147 HB2 ALA 24 HB2 ALA 24 15.772 5.209 -11.241 148 HB3 ALA 24 HB3 ALA 24 14.430 6.064 -10.481 149 H CYS 25 H CYS 25 15.078 2.510 -11.077 150 HA CYS 25 HA CYS 25 17.450 1.149 -10.050 151 HB2 CYS 25 HB2 CYS 25 15.146 0.052 -10.699 152 HB3 CYS 25 HB3 CYS 25 15.815 0.102 -12.327 153 H SER 26 H SER 26 19.348 1.689 -10.883 154 HA SER 26 HA SER 26 19.484 2.759 -13.601 155 HB2 SER 26 HB2 SER 26 20.696 3.592 -11.302 156 HB3 SER 26 HB3 SER 26 21.970 2.608 -12.023 157 HG SER 26 HG SER 26 22.166 4.002 -13.617 158 H THR 27 H THR 27 20.626 1.818 -15.236 159 HA THR 27 HA THR 27 21.123 -1.003 -15.015 160 HB THR 27 HB THR 27 21.956 0.608 -17.401 161 HG1 THR 27 HG1 THR 27 19.277 -0.235 -16.989 162 HG21 THR 27 HG21 THR 27 20.978 -1.422 -18.546 163 HG22 THR 27 HG22 THR 27 20.817 -2.144 -16.945 164 HG23 THR 27 HG23 THR 27 22.412 -1.719 -17.564 165 H LYS 28 H LYS 28 22.906 1.562 -14.073 166 HA LYS 28 HA LYS 28 25.489 0.558 -14.980 167 HB2 LYS 28 HB2 LYS 28 24.636 3.083 -14.613 168 HB3 LYS 28 HB3 LYS 28 25.332 2.786 -13.026 169 HG2 LYS 28 HG2 LYS 28 26.829 2.323 -15.591 170 HG3 LYS 28 HG3 LYS 28 26.861 3.850 -14.706 171 HD2 LYS 28 HD2 LYS 28 27.365 1.703 -12.889 172 HD3 LYS 28 HD3 LYS 28 28.442 1.547 -14.278 173 HE2 LYS 28 HE2 LYS 28 28.170 4.277 -13.239 174 HE3 LYS 28 HE3 LYS 28 28.902 3.135 -12.113 175 HZ1 LYS 28 HZ1 LYS 28 30.777 3.142 -13.274 176 HZ2 LYS 28 HZ2 LYS 28 30.160 4.434 -14.173 177 HZ3 LYS 28 HZ3 LYS 28 29.975 2.849 -14.735 178 H HIS 29 H HIS 29 23.820 1.216 -11.905 179 HA HIS 29 HA HIS 29 25.782 -0.479 -10.530 180 HB2 HIS 29 HB2 HIS 29 23.780 1.531 -9.490 181 HB3 HIS 29 HB3 HIS 29 24.735 0.484 -8.444 182 HD1 HIS 29 HD1 HIS 29 27.445 0.750 -9.979 183 HD2 HIS 29 HD2 HIS 29 24.986 3.918 -8.895 184 HE1 HIS 29 HE1 HIS 29 28.946 2.765 -9.887 185 H LYS 30 H LYS 30 22.539 -0.401 -11.624 186 HA LYS 30 HA LYS 30 20.815 -1.880 -11.502 187 HB2 LYS 30 HB2 LYS 30 23.198 -3.578 -10.905 188 HB3 LYS 30 HB3 LYS 30 21.598 -4.267 -10.665 189 HG2 LYS 30 HG2 LYS 30 21.197 -3.340 -13.094 190 HG3 LYS 30 HG3 LYS 30 22.957 -3.450 -13.178 191 HD2 LYS 30 HD2 LYS 30 21.245 -5.743 -12.253 192 HD3 LYS 30 HD3 LYS 30 21.631 -5.483 -13.955 193 HE2 LYS 30 HE2 LYS 30 23.981 -5.690 -13.511 194 HE3 LYS 30 HE3 LYS 30 23.695 -5.742 -11.773 195 HZ1 LYS 30 HZ1 LYS 30 22.247 -7.793 -12.427 196 HZ2 LYS 30 HZ2 LYS 30 23.921 -7.950 -12.245 197 HZ3 LYS 30 HZ3 LYS 30 23.247 -7.822 -13.791 198 H TRP 31 H TRP 31 20.426 -0.276 -9.591 199 HA TRP 31 HA TRP 31 19.252 -1.761 -7.497 200 HB2 TRP 31 HB2 TRP 31 20.611 -1.246 -5.633 201 HB3 TRP 31 HB3 TRP 31 21.729 -1.810 -6.872 202 HD1 TRP 31 HD1 TRP 31 21.967 0.939 -8.509 203 HE1 TRP 31 HE1 TRP 31 23.295 2.888 -7.479 204 HE3 TRP 31 HE3 TRP 31 21.799 -0.471 -3.597 205 HZ2 TRP 31 HZ2 TRP 31 24.157 3.719 -4.922 206 HZ3 TRP 31 HZ3 TRP 31 22.900 0.956 -1.923 207 HH2 TRP 31 HH2 TRP 31 24.055 3.007 -2.573 208 H CYS 32 H CYS 32 18.204 -0.361 -5.879 209 HA CYS 32 HA CYS 32 17.030 1.908 -7.117 210 HB2 CYS 32 HB2 CYS 32 16.901 1.004 -4.232 211 HB3 CYS 32 HB3 CYS 32 15.843 2.197 -4.978 212 H LYS 33 H LYS 33 18.535 3.474 -7.567 213 HA LYS 33 HA LYS 33 20.095 4.565 -5.336 214 HB2 LYS 33 HB2 LYS 33 21.271 5.848 -7.164 215 HB3 LYS 33 HB3 LYS 33 21.461 4.101 -7.229 216 HG2 LYS 33 HG2 LYS 33 20.303 3.905 -9.162 217 HG3 LYS 33 HG3 LYS 33 19.229 5.255 -8.786 218 HD2 LYS 33 HD2 LYS 33 20.668 5.825 -10.656 219 HD3 LYS 33 HD3 LYS 33 21.068 6.823 -9.255 220 HE2 LYS 33 HE2 LYS 33 23.069 5.728 -8.883 221 HE3 LYS 33 HE3 LYS 33 22.546 4.270 -9.725 222 HZ1 LYS 33 HZ1 LYS 33 22.661 5.528 -11.817 223 HZ2 LYS 33 HZ2 LYS 33 24.162 5.426 -11.045 224 HZ3 LYS 33 HZ3 LYS 33 23.272 6.863 -10.976 225 H TYR 34 H TYR 34 19.942 6.692 -4.697 226 HA TYR 34 HA TYR 34 17.450 7.941 -4.863 227 HB2 TYR 34 HB2 TYR 34 20.167 8.899 -4.002 228 HB3 TYR 34 HB3 TYR 34 18.785 9.988 -4.012 229 HD1 TYR 34 HD1 TYR 34 16.586 8.614 -2.951 230 HD2 TYR 34 HD2 TYR 34 20.680 8.156 -1.888 231 HE1 TYR 34 HE1 TYR 34 15.912 7.785 -0.736 232 HE2 TYR 34 HE2 TYR 34 20.018 7.324 0.330 233 HH TYR 34 HH TYR 34 18.334 6.872 1.699 234 H GLU 35 H GLU 35 16.527 9.170 -6.362 235 HA GLU 35 HA GLU 35 18.120 10.024 -8.655 236 HB2 GLU 35 HB2 GLU 35 15.286 9.375 -8.177 237 HB3 GLU 35 HB3 GLU 35 15.558 10.732 -9.261 238 HG2 GLU 35 HG2 GLU 35 17.204 8.359 -9.791 239 HG3 GLU 35 HG3 GLU 35 15.471 8.151 -10.037 240 H LEU 36 H LEU 36 19.064 11.946 -8.420 241 HA LEU 36 HA LEU 36 17.703 14.066 -6.941 242 HB2 LEU 36 HB2 LEU 36 20.504 13.606 -7.866 243 HB3 LEU 36 HB3 LEU 36 19.968 15.244 -7.497 244 HG LEU 36 HG LEU 36 19.234 14.150 -5.223 245 HD11 LEU 36 HD11 LEU 36 21.490 12.337 -6.060 246 HD12 LEU 36 HD12 LEU 36 19.795 11.857 -5.973 247 HD13 LEU 36 HD13 LEU 36 20.648 12.345 -4.510 248 HD21 LEU 36 HD21 LEU 36 21.476 14.686 -4.314 249 HD22 LEU 36 HD22 LEU 36 20.840 15.935 -5.385 250 HD23 LEU 36 HD23 LEU 36 22.078 14.821 -5.966 Start of MODEL 14 1 H1 GLY 1 H GLY 1 4.210 1.230 -0.239 2 HA2 GLY 1 HA2 GLY 1 2.019 -0.190 0.113 3 HA3 GLY 1 HA3 GLY 1 1.854 0.160 -1.601 4 H ALA 2 H ALA 2 3.537 -0.603 -3.044 5 HA ALA 2 HA ALA 2 5.157 -2.799 -1.958 6 HB1 ALA 2 HB1 ALA 2 4.544 -4.180 -3.939 7 HB2 ALA 2 HB2 ALA 2 3.209 -3.887 -2.824 8 HB3 ALA 2 HB3 ALA 2 3.313 -2.981 -4.334 9 H CYS 3 H CYS 3 7.125 -1.893 -2.253 10 HA CYS 3 HA CYS 3 8.079 -1.628 -4.963 11 HB2 CYS 3 HB2 CYS 3 8.998 0.672 -4.572 12 HB3 CYS 3 HB3 CYS 3 7.243 0.608 -4.695 13 H LEU 4 H LEU 4 10.493 -0.568 -4.673 14 HA LEU 4 HA LEU 4 11.757 -2.195 -2.567 15 HB2 LEU 4 HB2 LEU 4 12.868 -1.420 -5.260 16 HB3 LEU 4 HB3 LEU 4 13.695 -2.389 -4.042 17 HG LEU 4 HG LEU 4 11.138 -3.232 -5.397 18 HD11 LEU 4 HD11 LEU 4 12.364 -4.480 -6.939 19 HD12 LEU 4 HD12 LEU 4 13.868 -4.291 -6.040 20 HD13 LEU 4 HD13 LEU 4 13.182 -2.918 -6.908 21 HD21 LEU 4 HD21 LEU 4 12.186 -5.498 -4.606 22 HD22 LEU 4 HD22 LEU 4 11.259 -4.499 -3.486 23 HD23 LEU 4 HD23 LEU 4 13.023 -4.467 -3.445 24 H GLY 5 H GLY 5 12.591 -1.008 -0.988 25 HA2 GLY 5 HA2 GLY 5 12.984 1.792 -1.168 26 HA3 GLY 5 HA3 GLY 5 13.525 0.758 0.147 27 H PHE 6 H PHE 6 15.239 2.595 -0.172 28 HA PHE 6 HA PHE 6 17.100 2.342 -2.291 29 HB2 PHE 6 HB2 PHE 6 16.912 4.392 -0.961 30 HB3 PHE 6 HB3 PHE 6 17.464 3.526 0.469 31 HD1 PHE 6 HD2 PHE 6 18.473 4.740 -2.866 32 HD2 PHE 6 HD1 PHE 6 19.761 3.175 0.877 33 HE1 PHE 6 HE2 PHE 6 20.801 5.287 -3.443 34 HE2 PHE 6 HE1 PHE 6 22.091 3.721 0.307 35 HZ PHE 6 HZ PHE 6 22.614 4.779 -1.855 36 H GLY 7 H GLY 7 18.852 1.076 -2.545 37 HA2 GLY 7 HA2 GLY 7 20.627 -0.312 -1.908 38 HA3 GLY 7 HA3 GLY 7 19.974 -0.360 -0.277 39 H LYS 8 H LYS 8 17.720 -0.954 -2.775 40 HA LYS 8 HA LYS 8 17.676 -3.793 -2.034 41 HB2 LYS 8 HB2 LYS 8 15.578 -2.090 -3.393 42 HB3 LYS 8 HB3 LYS 8 15.389 -3.788 -2.977 43 HG2 LYS 8 HG2 LYS 8 15.901 -1.599 -0.975 44 HG3 LYS 8 HG3 LYS 8 14.304 -2.228 -1.387 45 HD2 LYS 8 HD2 LYS 8 14.833 -4.377 -0.528 46 HD3 LYS 8 HD3 LYS 8 16.547 -3.976 -0.396 47 HE2 LYS 8 HE2 LYS 8 15.586 -3.898 1.796 48 HE3 LYS 8 HE3 LYS 8 15.943 -2.247 1.291 49 HZ1 LYS 8 HZ1 LYS 8 13.412 -3.473 1.893 50 HZ2 LYS 8 HZ2 LYS 8 13.402 -2.599 0.445 51 HZ3 LYS 8 HZ3 LYS 8 13.847 -1.838 1.888 52 H SER 9 H SER 9 17.489 -5.421 -3.625 53 HA SER 9 HA SER 9 18.961 -4.835 -6.036 54 HB2 SER 9 HB2 SER 9 17.851 -7.377 -4.846 55 HB3 SER 9 HB3 SER 9 18.622 -7.338 -6.432 56 HG SER 9 HG SER 9 19.760 -7.373 -3.995 57 H CYS 10 H CYS 10 17.887 -3.867 -7.638 58 HA CYS 10 HA CYS 10 15.227 -4.914 -8.356 59 HB2 CYS 10 HB2 CYS 10 14.834 -2.677 -9.405 60 HB3 CYS 10 HB3 CYS 10 15.030 -2.619 -7.657 61 H ASN 11 H ASN 11 14.754 -4.294 -10.784 62 HA ASN 11 HA ASN 11 17.034 -5.311 -12.341 63 HB2 ASN 11 HB2 ASN 11 14.708 -6.535 -12.164 64 HB3 ASN 11 HB3 ASN 11 14.226 -5.354 -13.378 65 HD21 ASN 11 HD21 ASN 11 14.332 -6.129 -15.344 66 HD22 ASN 11 HD22 ASN 11 15.508 -7.244 -15.944 67 HA PRO 12 HA PRO 12 17.259 -1.424 -14.418 68 HB2 PRO 12 HB2 PRO 12 18.694 -2.228 -16.578 69 HB3 PRO 12 HB3 PRO 12 19.406 -2.026 -14.972 70 HG2 PRO 12 HG2 PRO 12 18.492 -4.528 -16.338 71 HG3 PRO 12 HG3 PRO 12 19.960 -4.246 -15.385 72 HD2 PRO 12 HD2 PRO 12 17.780 -5.489 -14.368 73 HD3 PRO 12 HD3 PRO 12 18.854 -4.480 -13.377 74 H SER 13 H SER 13 16.383 -4.302 -16.314 75 HA SER 13 HA SER 13 15.195 -2.854 -18.449 76 HB2 SER 13 HB2 SER 13 16.027 -5.312 -18.395 77 HB3 SER 13 HB3 SER 13 14.434 -5.675 -17.731 78 HG SER 13 HG SER 13 13.621 -5.445 -19.649 79 H ASN 14 H ASN 14 14.114 -3.769 -15.316 80 HA ASN 14 HA ASN 14 11.484 -2.621 -15.907 81 HB2 ASN 14 HB2 ASN 14 11.640 -5.272 -15.802 82 HB3 ASN 14 HB3 ASN 14 11.575 -4.970 -14.068 83 HD21 ASN 14 HD21 ASN 14 9.855 -3.062 -13.669 84 HD22 ASN 14 HD22 ASN 14 8.297 -3.425 -14.321 85 H ASP 15 H ASP 15 12.876 -0.884 -14.835 86 HA ASP 15 HA ASP 15 13.700 -0.916 -12.209 87 HB2 ASP 15 HB2 ASP 15 14.263 1.020 -13.376 88 HB3 ASP 15 HB3 ASP 15 12.623 1.256 -13.974 89 H GLN 16 H GLN 16 12.648 -1.451 -10.424 90 HA GLN 16 HA GLN 16 9.904 -0.485 -10.051 91 HB2 GLN 16 HB2 GLN 16 10.826 -3.297 -9.433 92 HB3 GLN 16 HB3 GLN 16 9.234 -2.636 -9.082 93 HG2 GLN 16 HG2 GLN 16 9.844 -2.268 -11.854 94 HG3 GLN 16 HG3 GLN 16 10.082 -3.956 -11.403 95 HE21 GLN 16 HE21 GLN 16 8.356 -5.226 -11.160 96 HE22 GLN 16 HE22 GLN 16 6.714 -4.692 -11.217 97 H CYS 17 H CYS 17 11.098 1.115 -8.779 98 HA CYS 17 HA CYS 17 11.854 0.069 -6.128 99 HB2 CYS 17 HB2 CYS 17 12.899 2.474 -7.629 100 HB3 CYS 17 HB3 CYS 17 13.224 2.180 -5.924 101 H CYS 18 H CYS 18 11.837 2.233 -4.588 102 HA CYS 18 HA CYS 18 9.016 2.892 -4.445 103 HB2 CYS 18 HB2 CYS 18 11.328 3.446 -2.579 104 HB3 CYS 18 HB3 CYS 18 9.671 3.948 -2.261 105 H LYS 19 H LYS 19 8.444 4.463 -5.837 106 HA LYS 19 HA LYS 19 10.085 6.623 -6.616 107 HB2 LYS 19 HB2 LYS 19 7.070 6.406 -6.711 108 HB3 LYS 19 HB3 LYS 19 8.046 7.566 -7.603 109 HG2 LYS 19 HG2 LYS 19 8.167 4.575 -7.934 110 HG3 LYS 19 HG3 LYS 19 7.308 5.692 -8.997 111 HD2 LYS 19 HD2 LYS 19 9.515 6.853 -9.368 112 HD3 LYS 19 HD3 LYS 19 10.277 5.505 -8.522 113 HE2 LYS 19 HE2 LYS 19 8.424 4.904 -10.772 114 HE3 LYS 19 HE3 LYS 19 10.028 5.530 -11.153 115 HZ1 LYS 19 HZ1 LYS 19 9.483 2.944 -10.782 116 HZ2 LYS 19 HZ2 LYS 19 9.967 3.373 -9.219 117 HZ3 LYS 19 HZ3 LYS 19 11.010 3.628 -10.527 118 H SER 20 H SER 20 7.778 6.199 -4.016 119 HA SER 20 HA SER 20 7.322 8.836 -3.284 120 HB2 SER 20 HB2 SER 20 6.784 7.979 -1.063 121 HB3 SER 20 HB3 SER 20 6.153 6.888 -2.296 122 HG SER 20 HG SER 20 7.178 5.659 -0.747 123 H SER 21 H SER 21 10.073 6.756 -2.619 124 HA SER 21 HA SER 21 11.332 8.855 -1.015 125 HB2 SER 21 HB2 SER 21 11.899 5.934 -1.439 126 HB3 SER 21 HB3 SER 21 13.139 6.999 -0.777 127 HG SER 21 HG SER 21 11.706 5.901 0.774 128 H SER 22 H SER 22 10.941 8.803 -4.032 129 HA SER 22 HA SER 22 12.088 9.348 -5.925 130 HB2 SER 22 HB2 SER 22 12.727 11.179 -4.129 131 HB3 SER 22 HB3 SER 22 14.326 10.450 -4.274 132 HG SER 22 HG SER 22 14.535 11.550 -6.039 133 H LEU 23 H LEU 23 12.422 6.835 -5.760 134 HA LEU 23 HA LEU 23 15.316 6.296 -5.875 135 HB2 LEU 23 HB2 LEU 23 13.023 4.452 -5.230 136 HB3 LEU 23 HB3 LEU 23 14.681 3.912 -5.488 137 HG LEU 23 HG LEU 23 13.714 5.708 -3.264 138 HD11 LEU 23 HD11 LEU 23 13.187 3.187 -3.256 139 HD12 LEU 23 HD12 LEU 23 13.931 3.900 -1.826 140 HD13 LEU 23 HD13 LEU 23 14.915 2.982 -2.966 141 HD21 LEU 23 HD21 LEU 23 15.955 6.328 -3.930 142 HD22 LEU 23 HD22 LEU 23 16.466 4.641 -3.886 143 HD23 LEU 23 HD23 LEU 23 16.008 5.463 -2.394 144 H ALA 24 H ALA 24 15.958 4.602 -7.439 145 HA ALA 24 HA ALA 24 14.210 3.943 -9.604 146 HB1 ALA 24 HB1 ALA 24 16.479 5.680 -10.465 147 HB2 ALA 24 HB2 ALA 24 14.969 5.307 -11.297 148 HB3 ALA 24 HB3 ALA 24 14.969 6.416 -9.926 149 H CYS 25 H CYS 25 15.142 2.468 -11.082 150 HA CYS 25 HA CYS 25 17.511 1.129 -10.014 151 HB2 CYS 25 HB2 CYS 25 15.217 0.007 -10.643 152 HB3 CYS 25 HB3 CYS 25 15.879 0.036 -12.274 153 H SER 26 H SER 26 19.417 1.596 -10.867 154 HA SER 26 HA SER 26 19.550 2.609 -13.615 155 HB2 SER 26 HB2 SER 26 20.746 3.517 -11.308 156 HB3 SER 26 HB3 SER 26 22.042 2.591 -12.065 157 HG SER 26 HG SER 26 21.231 3.870 -14.042 158 H THR 27 H THR 27 20.760 1.644 -15.194 159 HA THR 27 HA THR 27 21.294 -1.160 -14.868 160 HB THR 27 HB THR 27 22.177 0.369 -17.286 161 HG1 THR 27 HG1 THR 27 20.050 0.403 -18.032 162 HG21 THR 27 HG21 THR 27 22.565 -1.795 -17.798 163 HG22 THR 27 HG22 THR 27 20.833 -1.834 -18.127 164 HG23 THR 27 HG23 THR 27 21.447 -2.391 -16.571 165 H LYS 28 H LYS 28 23.014 1.455 -13.957 166 HA LYS 28 HA LYS 28 25.634 0.514 -14.796 167 HB2 LYS 28 HB2 LYS 28 24.518 2.994 -13.755 168 HB3 LYS 28 HB3 LYS 28 26.017 2.552 -12.948 169 HG2 LYS 28 HG2 LYS 28 27.273 2.797 -14.841 170 HG3 LYS 28 HG3 LYS 28 25.920 2.445 -15.918 171 HD2 LYS 28 HD2 LYS 28 26.126 4.703 -16.250 172 HD3 LYS 28 HD3 LYS 28 24.975 4.691 -14.912 173 HE2 LYS 28 HE2 LYS 28 26.759 5.091 -13.329 174 HE3 LYS 28 HE3 LYS 28 27.962 4.980 -14.612 175 HZ1 LYS 28 HZ1 LYS 28 27.730 7.154 -14.873 176 HZ2 LYS 28 HZ2 LYS 28 26.429 7.218 -13.794 177 HZ3 LYS 28 HZ3 LYS 28 26.154 6.895 -15.432 178 H HIS 29 H HIS 29 23.885 1.059 -11.745 179 HA HIS 29 HA HIS 29 25.841 -0.664 -10.387 180 HB2 HIS 29 HB2 HIS 29 23.911 1.404 -9.330 181 HB3 HIS 29 HB3 HIS 29 24.800 0.300 -8.285 182 HD1 HIS 29 HD1 HIS 29 27.534 0.466 -9.823 183 HD2 HIS 29 HD2 HIS 29 25.227 3.713 -8.638 184 HE1 HIS 29 HE1 HIS 29 29.129 2.404 -9.669 185 H LYS 30 H LYS 30 22.612 -0.510 -11.490 186 HA LYS 30 HA LYS 30 20.854 -1.949 -11.382 187 HB2 LYS 30 HB2 LYS 30 23.191 -3.702 -10.762 188 HB3 LYS 30 HB3 LYS 30 21.572 -4.354 -10.541 189 HG2 LYS 30 HG2 LYS 30 21.220 -3.417 -12.973 190 HG3 LYS 30 HG3 LYS 30 22.978 -3.564 -13.037 191 HD2 LYS 30 HD2 LYS 30 21.160 -5.809 -12.181 192 HD3 LYS 30 HD3 LYS 30 21.683 -5.570 -13.850 193 HE2 LYS 30 HE2 LYS 30 23.951 -5.935 -13.290 194 HE3 LYS 30 HE3 LYS 30 23.623 -5.803 -11.563 195 HZ1 LYS 30 HZ1 LYS 30 22.017 -7.841 -12.370 196 HZ2 LYS 30 HZ2 LYS 30 23.512 -8.011 -11.599 197 HZ3 LYS 30 HZ3 LYS 30 23.418 -8.083 -13.286 198 H TRP 31 H TRP 31 20.486 -0.337 -9.474 199 HA TRP 31 HA TRP 31 19.261 -1.794 -7.389 200 HB2 TRP 31 HB2 TRP 31 20.616 -1.304 -5.513 201 HB3 TRP 31 HB3 TRP 31 21.727 -1.904 -6.741 202 HD1 TRP 31 HD1 TRP 31 22.036 0.840 -8.386 203 HE1 TRP 31 HE1 TRP 31 23.415 2.753 -7.355 204 HE3 TRP 31 HE3 TRP 31 21.832 -0.567 -3.475 205 HZ2 TRP 31 HZ2 TRP 31 24.299 3.559 -4.798 206 HZ3 TRP 31 HZ3 TRP 31 22.971 0.830 -1.800 207 HH2 TRP 31 HH2 TRP 31 24.179 2.849 -2.450 208 H CYS 32 H CYS 32 18.118 -0.422 -5.883 209 HA CYS 32 HA CYS 32 17.047 1.885 -7.099 210 HB2 CYS 32 HB2 CYS 32 16.867 1.004 -4.209 211 HB3 CYS 32 HB3 CYS 32 15.831 2.198 -4.984 212 H LYS 33 H LYS 33 18.584 3.424 -7.534 213 HA LYS 33 HA LYS 33 20.132 4.496 -5.285 214 HB2 LYS 33 HB2 LYS 33 21.358 5.749 -7.101 215 HB3 LYS 33 HB3 LYS 33 21.520 3.998 -7.151 216 HG2 LYS 33 HG2 LYS 33 20.400 3.810 -9.105 217 HG3 LYS 33 HG3 LYS 33 19.329 5.168 -8.751 218 HD2 LYS 33 HD2 LYS 33 20.766 5.772 -10.583 219 HD3 LYS 33 HD3 LYS 33 21.236 6.707 -9.162 220 HE2 LYS 33 HE2 LYS 33 23.206 5.552 -8.888 221 HE3 LYS 33 HE3 LYS 33 22.598 4.110 -9.700 222 HZ1 LYS 33 HZ1 LYS 33 23.622 4.805 -11.518 223 HZ2 LYS 33 HZ2 LYS 33 24.075 6.259 -10.782 224 HZ3 LYS 33 HZ3 LYS 33 22.588 6.143 -11.581 225 H TYR 34 H TYR 34 19.968 6.603 -4.620 226 HA TYR 34 HA TYR 34 17.510 7.903 -4.873 227 HB2 TYR 34 HB2 TYR 34 20.196 8.702 -3.827 228 HB3 TYR 34 HB3 TYR 34 18.949 9.931 -4.007 229 HD1 TYR 34 HD1 TYR 34 16.519 8.815 -3.142 230 HD2 TYR 34 HD2 TYR 34 20.420 8.020 -1.642 231 HE1 TYR 34 HE1 TYR 34 15.547 8.151 -0.982 232 HE2 TYR 34 HE2 TYR 34 19.459 7.353 0.521 233 HH TYR 34 HH TYR 34 16.025 6.978 0.969 234 H GLU 35 H GLU 35 16.669 9.116 -6.428 235 HA GLU 35 HA GLU 35 18.305 9.888 -8.692 236 HB2 GLU 35 HB2 GLU 35 15.393 9.714 -8.118 237 HB3 GLU 35 HB3 GLU 35 15.904 10.866 -9.343 238 HG2 GLU 35 HG2 GLU 35 17.136 8.975 -10.451 239 HG3 GLU 35 HG3 GLU 35 16.318 7.891 -9.326 240 H LEU 36 H LEU 36 19.508 11.662 -8.404 241 HA LEU 36 HA LEU 36 18.445 13.926 -6.907 242 HB2 LEU 36 HB2 LEU 36 21.142 13.177 -7.962 243 HB3 LEU 36 HB3 LEU 36 20.802 14.842 -7.496 244 HG LEU 36 HG LEU 36 20.058 13.752 -5.238 245 HD11 LEU 36 HD11 LEU 36 21.434 11.555 -6.653 246 HD12 LEU 36 HD12 LEU 36 20.189 11.503 -5.405 247 HD13 LEU 36 HD13 LEU 36 21.870 11.803 -4.962 248 HD21 LEU 36 HD21 LEU 36 22.136 14.290 -4.343 249 HD22 LEU 36 HD22 LEU 36 22.071 15.251 -5.821 250 HD23 LEU 36 HD23 LEU 36 23.005 13.754 -5.782 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.563 1.442 -1.086 2 HA2 GLY 1 HA2 GLY 1 1.338 -0.053 -0.449 3 HA3 GLY 1 HA3 GLY 1 1.350 0.026 -2.205 4 H ALA 2 H ALA 2 3.462 -0.598 -3.247 5 HA ALA 2 HA ALA 2 5.080 -2.460 -1.707 6 HB1 ALA 2 HB1 ALA 2 3.332 -3.933 -2.381 7 HB2 ALA 2 HB2 ALA 2 3.384 -3.331 -4.039 8 HB3 ALA 2 HB3 ALA 2 4.732 -4.272 -3.400 9 H CYS 3 H CYS 3 7.034 -1.649 -2.133 10 HA CYS 3 HA CYS 3 7.955 -1.608 -4.886 11 HB2 CYS 3 HB2 CYS 3 8.948 0.689 -4.584 12 HB3 CYS 3 HB3 CYS 3 7.194 0.653 -4.726 13 H LEU 4 H LEU 4 10.398 -0.612 -4.706 14 HA LEU 4 HA LEU 4 11.674 -2.224 -2.599 15 HB2 LEU 4 HB2 LEU 4 12.765 -1.393 -5.284 16 HB3 LEU 4 HB3 LEU 4 13.607 -2.379 -4.090 17 HG LEU 4 HG LEU 4 11.047 -3.208 -5.451 18 HD11 LEU 4 HD11 LEU 4 12.289 -4.458 -6.993 19 HD12 LEU 4 HD12 LEU 4 13.792 -4.234 -6.099 20 HD13 LEU 4 HD13 LEU 4 13.072 -2.878 -6.967 21 HD21 LEU 4 HD21 LEU 4 11.168 -4.495 -3.552 22 HD22 LEU 4 HD22 LEU 4 12.931 -4.471 -3.514 23 HD23 LEU 4 HD23 LEU 4 12.087 -5.484 -4.686 24 H GLY 5 H GLY 5 12.515 -1.068 -1.001 25 HA2 GLY 5 HA2 GLY 5 12.922 1.739 -1.150 26 HA3 GLY 5 HA3 GLY 5 13.425 0.691 0.168 27 H PHE 6 H PHE 6 15.157 2.529 -0.131 28 HA PHE 6 HA PHE 6 17.057 2.253 -2.209 29 HB2 PHE 6 HB2 PHE 6 16.855 4.302 -0.870 30 HB3 PHE 6 HB3 PHE 6 17.396 3.427 0.559 31 HD1 PHE 6 HD2 PHE 6 18.429 4.653 -2.764 32 HD2 PHE 6 HD1 PHE 6 19.688 3.066 0.979 33 HE1 PHE 6 HE2 PHE 6 20.763 5.195 -3.324 34 HE2 PHE 6 HE1 PHE 6 22.024 3.606 0.426 35 HZ PHE 6 HZ PHE 6 22.564 4.673 -1.727 36 H GLY 7 H GLY 7 18.803 0.972 -2.430 37 HA2 GLY 7 HA2 GLY 7 20.553 -0.432 -1.758 38 HA3 GLY 7 HA3 GLY 7 19.865 -0.478 -0.142 39 H LYS 8 H LYS 8 17.661 -1.046 -2.691 40 HA LYS 8 HA LYS 8 17.590 -3.891 -1.970 41 HB2 LYS 8 HB2 LYS 8 15.507 -2.172 -3.333 42 HB3 LYS 8 HB3 LYS 8 15.310 -3.869 -2.916 43 HG2 LYS 8 HG2 LYS 8 15.816 -1.679 -0.915 44 HG3 LYS 8 HG3 LYS 8 14.221 -2.308 -1.332 45 HD2 LYS 8 HD2 LYS 8 14.509 -4.176 -0.115 46 HD3 LYS 8 HD3 LYS 8 16.189 -4.364 -0.625 47 HE2 LYS 8 HE2 LYS 8 15.199 -2.415 1.454 48 HE3 LYS 8 HE3 LYS 8 15.977 -3.960 1.795 49 HZ1 LYS 8 HZ1 LYS 8 17.702 -2.453 1.944 50 HZ2 LYS 8 HZ2 LYS 8 17.154 -1.513 0.649 51 HZ3 LYS 8 HZ3 LYS 8 17.868 -3.019 0.359 52 H SER 9 H SER 9 17.355 -5.496 -3.597 53 HA SER 9 HA SER 9 18.860 -4.888 -5.989 54 HB2 SER 9 HB2 SER 9 17.673 -7.479 -4.967 55 HB3 SER 9 HB3 SER 9 18.675 -7.341 -6.412 56 HG SER 9 HG SER 9 19.900 -7.935 -4.573 57 H CYS 10 H CYS 10 17.800 -3.918 -7.596 58 HA CYS 10 HA CYS 10 15.133 -4.943 -8.321 59 HB2 CYS 10 HB2 CYS 10 14.762 -2.701 -9.370 60 HB3 CYS 10 HB3 CYS 10 14.952 -2.648 -7.621 61 H ASN 11 H ASN 11 14.669 -4.318 -10.748 62 HA ASN 11 HA ASN 11 16.939 -5.361 -12.302 63 HB2 ASN 11 HB2 ASN 11 14.611 -6.561 -12.143 64 HB3 ASN 11 HB3 ASN 11 14.123 -5.352 -13.327 65 HD21 ASN 11 HD21 ASN 11 14.247 -6.027 -15.329 66 HD22 ASN 11 HD22 ASN 11 15.387 -7.162 -15.959 67 HA PRO 12 HA PRO 12 17.241 -1.473 -14.367 68 HB2 PRO 12 HB2 PRO 12 18.665 -2.296 -16.527 69 HB3 PRO 12 HB3 PRO 12 19.377 -2.114 -14.919 70 HG2 PRO 12 HG2 PRO 12 18.418 -4.593 -16.296 71 HG3 PRO 12 HG3 PRO 12 19.890 -4.343 -15.339 72 HD2 PRO 12 HD2 PRO 12 17.685 -5.548 -14.331 73 HD3 PRO 12 HD3 PRO 12 18.775 -4.563 -13.334 74 H SER 13 H SER 13 16.319 -4.326 -16.280 75 HA SER 13 HA SER 13 15.165 -2.852 -18.412 76 HB2 SER 13 HB2 SER 13 15.924 -5.376 -18.253 77 HB3 SER 13 HB3 SER 13 14.248 -5.627 -17.765 78 HG SER 13 HG SER 13 15.293 -4.973 -20.226 79 H ASN 14 H ASN 14 14.034 -3.818 -15.297 80 HA ASN 14 HA ASN 14 11.445 -2.573 -15.879 81 HB2 ASN 14 HB2 ASN 14 11.506 -5.218 -15.841 82 HB3 ASN 14 HB3 ASN 14 11.483 -4.972 -14.097 83 HD21 ASN 14 HD21 ASN 14 9.443 -6.283 -15.333 84 HD22 ASN 14 HD22 ASN 14 8.012 -5.315 -15.296 85 H ASP 15 H ASP 15 12.996 -0.945 -14.756 86 HA ASP 15 HA ASP 15 13.717 -1.071 -12.103 87 HB2 ASP 15 HB2 ASP 15 13.609 1.383 -12.089 88 HB3 ASP 15 HB3 ASP 15 14.340 0.786 -13.577 89 H GLN 16 H GLN 16 12.563 -1.525 -10.359 90 HA GLN 16 HA GLN 16 9.883 -0.358 -10.091 91 HB2 GLN 16 HB2 GLN 16 10.601 -3.220 -9.430 92 HB3 GLN 16 HB3 GLN 16 9.050 -2.455 -9.108 93 HG2 GLN 16 HG2 GLN 16 9.861 -2.228 -11.889 94 HG3 GLN 16 HG3 GLN 16 9.719 -3.899 -11.346 95 HE21 GLN 16 HE21 GLN 16 7.688 -4.437 -10.189 96 HE22 GLN 16 HE22 GLN 16 6.225 -3.714 -10.754 97 H CYS 17 H CYS 17 11.131 1.176 -8.791 98 HA CYS 17 HA CYS 17 11.756 0.113 -6.114 99 HB2 CYS 17 HB2 CYS 17 12.912 2.487 -7.583 100 HB3 CYS 17 HB3 CYS 17 13.191 2.173 -5.874 101 H CYS 18 H CYS 18 11.772 2.283 -4.578 102 HA CYS 18 HA CYS 18 8.970 3.016 -4.487 103 HB2 CYS 18 HB2 CYS 18 11.267 3.568 -2.600 104 HB3 CYS 18 HB3 CYS 18 9.607 4.077 -2.309 105 H LYS 19 H LYS 19 8.407 4.605 -5.848 106 HA LYS 19 HA LYS 19 10.108 6.704 -6.679 107 HB2 LYS 19 HB2 LYS 19 7.087 6.687 -6.725 108 HB3 LYS 19 HB3 LYS 19 8.156 7.649 -7.737 109 HG2 LYS 19 HG2 LYS 19 8.003 4.642 -7.784 110 HG3 LYS 19 HG3 LYS 19 7.164 5.715 -8.907 111 HD2 LYS 19 HD2 LYS 19 9.406 6.666 -9.521 112 HD3 LYS 19 HD3 LYS 19 10.140 5.381 -8.558 113 HE2 LYS 19 HE2 LYS 19 8.158 4.727 -10.704 114 HE3 LYS 19 HE3 LYS 19 9.841 5.054 -11.116 115 HZ1 LYS 19 HZ1 LYS 19 9.564 2.717 -10.819 116 HZ2 LYS 19 HZ2 LYS 19 8.833 2.927 -9.309 117 HZ3 LYS 19 HZ3 LYS 19 10.471 3.298 -9.514 118 H SER 20 H SER 20 7.779 6.394 -4.074 119 HA SER 20 HA SER 20 7.447 9.058 -3.369 120 HB2 SER 20 HB2 SER 20 6.050 7.576 -2.228 121 HB3 SER 20 HB3 SER 20 7.378 6.495 -1.805 122 HG SER 20 HG SER 20 7.497 7.545 -0.002 123 H SER 21 H SER 21 10.069 6.835 -2.626 124 HA SER 21 HA SER 21 11.413 8.857 -1.006 125 HB2 SER 21 HB2 SER 21 11.261 6.203 -0.631 126 HB3 SER 21 HB3 SER 21 12.735 6.261 -1.598 127 HG SER 21 HG SER 21 12.582 6.663 0.943 128 H SER 22 H SER 22 11.031 8.839 -4.048 129 HA SER 22 HA SER 22 12.205 9.395 -5.920 130 HB2 SER 22 HB2 SER 22 12.881 11.176 -4.069 131 HB3 SER 22 HB3 SER 22 14.466 10.429 -4.265 132 HG SER 22 HG SER 22 12.910 11.821 -6.156 133 H LEU 23 H LEU 23 12.488 6.839 -5.658 134 HA LEU 23 HA LEU 23 15.370 6.252 -5.795 135 HB2 LEU 23 HB2 LEU 23 13.024 4.467 -5.181 136 HB3 LEU 23 HB3 LEU 23 14.661 3.873 -5.454 137 HG LEU 23 HG LEU 23 13.787 5.691 -3.209 138 HD11 LEU 23 HD11 LEU 23 13.862 3.866 -1.790 139 HD12 LEU 23 HD12 LEU 23 14.828 2.904 -2.909 140 HD13 LEU 23 HD13 LEU 23 13.120 3.190 -3.240 141 HD21 LEU 23 HD21 LEU 23 16.344 5.269 -4.358 142 HD22 LEU 23 HD22 LEU 23 16.318 4.473 -2.784 143 HD23 LEU 23 HD23 LEU 23 15.927 6.188 -2.912 144 H ALA 24 H ALA 24 15.993 4.554 -7.365 145 HA ALA 24 HA ALA 24 14.261 3.957 -9.561 146 HB1 ALA 24 HB1 ALA 24 14.828 6.320 -10.042 147 HB2 ALA 24 HB2 ALA 24 16.530 5.861 -10.123 148 HB3 ALA 24 HB3 ALA 24 15.381 5.202 -11.288 149 H CYS 25 H CYS 25 15.179 2.475 -11.040 150 HA CYS 25 HA CYS 25 17.509 1.077 -9.956 151 HB2 CYS 25 HB2 CYS 25 15.195 0.006 -10.600 152 HB3 CYS 25 HB3 CYS 25 15.866 0.026 -12.228 153 H SER 26 H SER 26 19.425 1.547 -10.787 154 HA SER 26 HA SER 26 19.603 2.584 -13.516 155 HB2 SER 26 HB2 SER 26 20.854 3.350 -11.177 156 HB3 SER 26 HB3 SER 26 22.102 2.413 -11.998 157 HG SER 26 HG SER 26 21.563 3.758 -13.888 158 H THR 27 H THR 27 20.755 1.606 -15.128 159 HA THR 27 HA THR 27 21.167 -1.226 -14.880 160 HB THR 27 HB THR 27 22.074 0.361 -17.259 161 HG1 THR 27 HG1 THR 27 19.842 0.168 -17.992 162 HG21 THR 27 HG21 THR 27 22.382 -1.732 -17.984 163 HG22 THR 27 HG22 THR 27 20.625 -1.872 -18.042 164 HG23 THR 27 HG23 THR 27 21.507 -2.412 -16.613 165 H LYS 28 H LYS 28 23.009 1.300 -13.935 166 HA LYS 28 HA LYS 28 25.575 0.206 -14.782 167 HB2 LYS 28 HB2 LYS 28 24.622 2.768 -13.677 168 HB3 LYS 28 HB3 LYS 28 26.203 2.254 -13.103 169 HG2 LYS 28 HG2 LYS 28 27.120 2.283 -15.258 170 HG3 LYS 28 HG3 LYS 28 25.531 2.328 -16.025 171 HD2 LYS 28 HD2 LYS 28 25.463 4.556 -15.933 172 HD3 LYS 28 HD3 LYS 28 25.910 4.564 -14.225 173 HE2 LYS 28 HE2 LYS 28 28.235 4.466 -14.762 174 HE3 LYS 28 HE3 LYS 28 27.887 4.179 -16.466 175 HZ1 LYS 28 HZ1 LYS 28 27.054 6.375 -16.699 176 HZ2 LYS 28 HZ2 LYS 28 28.549 6.497 -15.917 177 HZ3 LYS 28 HZ3 LYS 28 27.116 6.659 -15.032 178 H HIS 29 H HIS 29 23.874 0.963 -11.749 179 HA HIS 29 HA HIS 29 25.765 -0.757 -10.309 180 HB2 HIS 29 HB2 HIS 29 23.750 1.258 -9.294 181 HB3 HIS 29 HB3 HIS 29 24.775 0.266 -8.261 182 HD1 HIS 29 HD1 HIS 29 27.385 0.623 -10.032 183 HD2 HIS 29 HD2 HIS 29 24.927 3.669 -8.638 184 HE1 HIS 29 HE1 HIS 29 28.826 2.684 -9.990 185 H LYS 30 H LYS 30 22.524 -0.595 -11.435 186 HA LYS 30 HA LYS 30 20.763 -2.030 -11.321 187 HB2 LYS 30 HB2 LYS 30 23.097 -3.792 -10.720 188 HB3 LYS 30 HB3 LYS 30 21.478 -4.439 -10.491 189 HG2 LYS 30 HG2 LYS 30 21.121 -3.487 -12.920 190 HG3 LYS 30 HG3 LYS 30 22.877 -3.654 -12.992 191 HD2 LYS 30 HD2 LYS 30 21.105 -5.899 -12.069 192 HD3 LYS 30 HD3 LYS 30 21.464 -5.639 -13.777 193 HE2 LYS 30 HE2 LYS 30 23.565 -5.967 -11.641 194 HE3 LYS 30 HE3 LYS 30 22.955 -7.290 -12.632 195 HZ1 LYS 30 HZ1 LYS 30 24.673 -6.709 -13.936 196 HZ2 LYS 30 HZ2 LYS 30 24.762 -5.131 -13.334 197 HZ3 LYS 30 HZ3 LYS 30 23.610 -5.524 -14.509 198 H TRP 31 H TRP 31 20.408 -0.422 -9.408 199 HA TRP 31 HA TRP 31 19.179 -1.870 -7.326 200 HB2 TRP 31 HB2 TRP 31 20.553 -1.453 -5.458 201 HB3 TRP 31 HB3 TRP 31 21.664 -2.012 -6.705 202 HD1 TRP 31 HD1 TRP 31 22.038 0.735 -8.275 203 HE1 TRP 31 HE1 TRP 31 23.384 2.638 -7.184 204 HE3 TRP 31 HE3 TRP 31 21.666 -0.710 -3.386 205 HZ2 TRP 31 HZ2 TRP 31 24.183 3.422 -4.592 206 HZ3 TRP 31 HZ3 TRP 31 22.751 0.671 -1.662 207 HH2 TRP 31 HH2 TRP 31 23.983 2.694 -2.255 208 H CYS 32 H CYS 32 18.043 -0.501 -5.826 209 HA CYS 32 HA CYS 32 17.022 1.840 -7.011 210 HB2 CYS 32 HB2 CYS 32 16.826 0.931 -4.131 211 HB3 CYS 32 HB3 CYS 32 15.813 2.154 -4.891 212 H LYS 33 H LYS 33 18.532 3.396 -7.420 213 HA LYS 33 HA LYS 33 20.102 4.414 -5.156 214 HB2 LYS 33 HB2 LYS 33 21.375 5.644 -6.959 215 HB3 LYS 33 HB3 LYS 33 21.511 3.891 -6.996 216 HG2 LYS 33 HG2 LYS 33 20.393 3.705 -8.958 217 HG3 LYS 33 HG3 LYS 33 19.373 5.109 -8.639 218 HD2 LYS 33 HD2 LYS 33 20.867 5.619 -10.459 219 HD3 LYS 33 HD3 LYS 33 21.336 6.569 -9.047 220 HE2 LYS 33 HE2 LYS 33 23.134 5.029 -8.563 221 HE3 LYS 33 HE3 LYS 33 22.622 3.969 -9.876 222 HZ1 LYS 33 HZ1 LYS 33 24.134 6.440 -9.974 223 HZ2 LYS 33 HZ2 LYS 33 22.955 6.274 -11.175 224 HZ3 LYS 33 HZ3 LYS 33 24.168 5.106 -11.014 225 H TYR 34 H TYR 34 19.979 6.531 -4.504 226 HA TYR 34 HA TYR 34 17.548 7.876 -4.787 227 HB2 TYR 34 HB2 TYR 34 20.248 8.679 -3.754 228 HB3 TYR 34 HB3 TYR 34 18.963 9.874 -3.885 229 HD1 TYR 34 HD1 TYR 34 16.587 8.722 -2.974 230 HD2 TYR 34 HD2 TYR 34 20.534 7.918 -1.604 231 HE1 TYR 34 HE1 TYR 34 15.679 7.990 -0.808 232 HE2 TYR 34 HE2 TYR 34 19.637 7.182 0.565 233 HH TYR 34 HH TYR 34 16.628 7.859 1.635 234 H GLU 35 H GLU 35 16.746 9.108 -6.348 235 HA GLU 35 HA GLU 35 18.497 9.941 -8.531 236 HB2 GLU 35 HB2 GLU 35 15.616 9.367 -8.234 237 HB3 GLU 35 HB3 GLU 35 16.010 10.693 -9.320 238 HG2 GLU 35 HG2 GLU 35 17.632 8.288 -9.709 239 HG3 GLU 35 HG3 GLU 35 15.910 8.075 -10.024 240 H LEU 36 H LEU 36 19.469 11.837 -8.190 241 HA LEU 36 HA LEU 36 18.107 13.961 -6.745 242 HB2 LEU 36 HB2 LEU 36 20.894 13.571 -7.775 243 HB3 LEU 36 HB3 LEU 36 20.338 15.156 -7.240 244 HG LEU 36 HG LEU 36 20.347 12.691 -5.502 245 HD11 LEU 36 HD11 LEU 36 22.622 13.498 -6.277 246 HD12 LEU 36 HD12 LEU 36 22.362 13.426 -4.535 247 HD13 LEU 36 HD13 LEU 36 22.294 14.976 -5.373 248 HD21 LEU 36 HD21 LEU 36 20.381 14.782 -3.827 249 HD22 LEU 36 HD22 LEU 36 18.893 14.028 -4.400 250 HD23 LEU 36 HD23 LEU 36 19.489 15.499 -5.170 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.721 -1.191 -1.856 2 HA2 GLY 1 HA2 GLY 1 2.734 0.794 -1.238 3 HA3 GLY 1 HA3 GLY 1 2.064 -0.017 0.170 4 H ALA 2 H ALA 2 3.688 -0.599 -2.922 5 HA ALA 2 HA ALA 2 5.262 -2.696 -1.671 6 HB1 ALA 2 HB1 ALA 2 3.158 -3.215 -3.674 7 HB2 ALA 2 HB2 ALA 2 4.699 -4.037 -3.927 8 HB3 ALA 2 HB3 ALA 2 3.816 -4.263 -2.416 9 H CYS 3 H CYS 3 7.227 -1.884 -2.063 10 HA CYS 3 HA CYS 3 8.131 -1.671 -4.795 11 HB2 CYS 3 HB2 CYS 3 9.046 0.641 -4.467 12 HB3 CYS 3 HB3 CYS 3 7.289 0.566 -4.557 13 H LEU 4 H LEU 4 10.545 -0.596 -4.571 14 HA LEU 4 HA LEU 4 11.856 -2.196 -2.473 15 HB2 LEU 4 HB2 LEU 4 12.925 -1.390 -5.175 16 HB3 LEU 4 HB3 LEU 4 13.779 -2.355 -3.972 17 HG LEU 4 HG LEU 4 11.217 -3.227 -5.300 18 HD11 LEU 4 HD11 LEU 4 13.962 -4.222 -5.987 19 HD12 LEU 4 HD12 LEU 4 13.216 -2.875 -6.847 20 HD13 LEU 4 HD13 LEU 4 12.447 -4.462 -6.858 21 HD21 LEU 4 HD21 LEU 4 11.382 -4.507 -3.403 22 HD22 LEU 4 HD22 LEU 4 13.144 -4.443 -3.378 23 HD23 LEU 4 HD23 LEU 4 12.316 -5.482 -4.538 24 H GLY 5 H GLY 5 12.692 -1.005 -0.898 25 HA2 GLY 5 HA2 GLY 5 13.048 1.802 -1.075 26 HA3 GLY 5 HA3 GLY 5 13.605 0.773 0.236 27 H PHE 6 H PHE 6 15.283 2.657 -0.124 28 HA PHE 6 HA PHE 6 17.143 2.398 -2.240 29 HB2 PHE 6 HB2 PHE 6 16.932 4.465 -0.945 30 HB3 PHE 6 HB3 PHE 6 17.491 3.630 0.501 31 HD1 PHE 6 HD2 PHE 6 18.501 4.749 -2.873 32 HD2 PHE 6 HD1 PHE 6 19.784 3.369 0.943 33 HE1 PHE 6 HE2 PHE 6 20.824 5.317 -3.452 34 HE2 PHE 6 HE1 PHE 6 22.108 3.936 0.371 35 HZ PHE 6 HZ PHE 6 22.631 4.912 -1.829 36 H GLY 7 H GLY 7 18.895 1.137 -2.492 37 HA2 GLY 7 HA2 GLY 7 20.708 -0.196 -1.823 38 HA3 GLY 7 HA3 GLY 7 20.038 -0.254 -0.199 39 H LYS 8 H LYS 8 17.824 -0.895 -2.722 40 HA LYS 8 HA LYS 8 17.843 -3.738 -1.991 41 HB2 LYS 8 HB2 LYS 8 15.692 -2.090 -3.333 42 HB3 LYS 8 HB3 LYS 8 15.551 -3.788 -2.897 43 HG2 LYS 8 HG2 LYS 8 16.044 -1.582 -0.912 44 HG3 LYS 8 HG3 LYS 8 14.446 -2.212 -1.318 45 HD2 LYS 8 HD2 LYS 8 16.553 -4.154 -0.524 46 HD3 LYS 8 HD3 LYS 8 15.841 -3.143 0.736 47 HE2 LYS 8 HE2 LYS 8 13.604 -3.900 0.048 48 HE3 LYS 8 HE3 LYS 8 14.342 -4.939 -1.170 49 HZ1 LYS 8 HZ1 LYS 8 15.392 -5.321 1.485 50 HZ2 LYS 8 HZ2 LYS 8 14.873 -6.464 0.352 51 HZ3 LYS 8 HZ3 LYS 8 13.747 -5.691 1.349 52 H SER 9 H SER 9 17.664 -5.356 -3.600 53 HA SER 9 HA SER 9 19.098 -4.704 -6.022 54 HB2 SER 9 HB2 SER 9 18.205 -7.243 -4.700 55 HB3 SER 9 HB3 SER 9 18.692 -7.269 -6.395 56 HG SER 9 HG SER 9 20.281 -7.442 -4.385 57 H CYS 10 H CYS 10 17.984 -3.801 -7.630 58 HA CYS 10 HA CYS 10 15.340 -4.922 -8.293 59 HB2 CYS 10 HB2 CYS 10 14.868 -2.712 -9.357 60 HB3 CYS 10 HB3 CYS 10 15.106 -2.621 -7.615 61 H ASN 11 H ASN 11 14.814 -4.347 -10.720 62 HA ASN 11 HA ASN 11 17.107 -5.295 -12.305 63 HB2 ASN 11 HB2 ASN 11 15.035 -6.764 -12.113 64 HB3 ASN 11 HB3 ASN 11 14.198 -5.545 -13.070 65 HD21 ASN 11 HD21 ASN 11 14.337 -5.646 -15.208 66 HD22 ASN 11 HD22 ASN 11 15.404 -6.678 -16.093 67 HA PRO 12 HA PRO 12 17.067 -1.444 -14.460 68 HB2 PRO 12 HB2 PRO 12 18.506 -2.209 -16.631 69 HB3 PRO 12 HB3 PRO 12 19.235 -1.933 -15.045 70 HG2 PRO 12 HG2 PRO 12 18.442 -4.512 -16.342 71 HG3 PRO 12 HG3 PRO 12 19.909 -4.126 -15.424 72 HD2 PRO 12 HD2 PRO 12 17.825 -5.470 -14.339 73 HD3 PRO 12 HD3 PRO 12 18.856 -4.381 -13.390 74 H SER 13 H SER 13 16.331 -4.405 -16.286 75 HA SER 13 HA SER 13 15.080 -3.146 -18.469 76 HB2 SER 13 HB2 SER 13 15.842 -5.664 -18.029 77 HB3 SER 13 HB3 SER 13 14.138 -5.841 -17.611 78 HG SER 13 HG SER 13 15.288 -5.604 -20.044 79 H ASN 14 H ASN 14 14.012 -3.778 -15.260 80 HA ASN 14 HA ASN 14 11.447 -2.532 -15.871 81 HB2 ASN 14 HB2 ASN 14 11.352 -5.154 -15.882 82 HB3 ASN 14 HB3 ASN 14 11.411 -4.973 -14.131 83 HD21 ASN 14 HD21 ASN 14 9.468 -5.181 -13.311 84 HD22 ASN 14 HD22 ASN 14 8.009 -4.518 -13.959 85 H ASP 15 H ASP 15 12.921 -0.915 -14.738 86 HA ASP 15 HA ASP 15 13.714 -1.063 -12.107 87 HB2 ASP 15 HB2 ASP 15 13.443 1.417 -12.053 88 HB3 ASP 15 HB3 ASP 15 14.306 0.836 -13.474 89 H GLN 16 H GLN 16 12.632 -1.529 -10.321 90 HA GLN 16 HA GLN 16 9.922 -0.458 -9.980 91 HB2 GLN 16 HB2 GLN 16 10.749 -3.298 -9.355 92 HB3 GLN 16 HB3 GLN 16 9.186 -2.585 -8.981 93 HG2 GLN 16 HG2 GLN 16 9.849 -2.279 -11.775 94 HG3 GLN 16 HG3 GLN 16 9.885 -3.969 -11.275 95 HE21 GLN 16 HE21 GLN 16 7.915 -1.104 -11.560 96 HE22 GLN 16 HE22 GLN 16 6.388 -1.903 -11.446 97 H CYS 17 H CYS 17 11.155 1.111 -8.708 98 HA CYS 17 HA CYS 17 11.875 0.060 -6.049 99 HB2 CYS 17 HB2 CYS 17 12.948 2.452 -7.550 100 HB3 CYS 17 HB3 CYS 17 13.265 2.158 -5.844 101 H CYS 18 H CYS 18 11.875 2.219 -4.506 102 HA CYS 18 HA CYS 18 9.062 2.898 -4.355 103 HB2 CYS 18 HB2 CYS 18 11.390 3.481 -2.516 104 HB3 CYS 18 HB3 CYS 18 9.731 3.972 -2.189 105 H LYS 19 H LYS 19 8.489 4.449 -5.773 106 HA LYS 19 HA LYS 19 10.125 6.602 -6.579 107 HB2 LYS 19 HB2 LYS 19 7.108 6.418 -6.664 108 HB3 LYS 19 HB3 LYS 19 8.110 7.515 -7.606 109 HG2 LYS 19 HG2 LYS 19 8.138 4.511 -7.814 110 HG3 LYS 19 HG3 LYS 19 7.326 5.614 -8.927 111 HD2 LYS 19 HD2 LYS 19 9.595 6.686 -9.296 112 HD3 LYS 19 HD3 LYS 19 10.280 5.302 -8.440 113 HE2 LYS 19 HE2 LYS 19 10.427 4.688 -10.681 114 HE3 LYS 19 HE3 LYS 19 8.966 3.874 -10.125 115 HZ1 LYS 19 HZ1 LYS 19 7.732 5.017 -11.554 116 HZ2 LYS 19 HZ2 LYS 19 9.168 5.529 -12.287 117 HZ3 LYS 19 HZ3 LYS 19 8.424 6.497 -11.116 118 H SER 20 H SER 20 7.853 6.192 -3.954 119 HA SER 20 HA SER 20 7.376 8.839 -3.258 120 HB2 SER 20 HB2 SER 20 6.395 6.657 -2.264 121 HB3 SER 20 HB3 SER 20 7.782 6.704 -1.175 122 HG SER 20 HG SER 20 6.934 9.059 -0.955 123 H SER 21 H SER 21 10.129 6.769 -2.535 124 HA SER 21 HA SER 21 11.387 8.898 -0.978 125 HB2 SER 21 HB2 SER 21 11.353 6.308 -0.429 126 HB3 SER 21 HB3 SER 21 12.742 6.287 -1.515 127 HG SER 21 HG SER 21 13.770 6.835 0.245 128 H SER 22 H SER 22 10.980 8.800 -4.000 129 HA SER 22 HA SER 22 12.108 9.370 -5.895 130 HB2 SER 22 HB2 SER 22 12.794 11.179 -4.080 131 HB3 SER 22 HB3 SER 22 14.385 10.448 -4.289 132 HG SER 22 HG SER 22 12.763 11.475 -6.382 133 H LEU 23 H LEU 23 12.427 6.831 -5.661 134 HA LEU 23 HA LEU 23 15.314 6.274 -5.829 135 HB2 LEU 23 HB2 LEU 23 13.006 4.443 -5.200 136 HB3 LEU 23 HB3 LEU 23 14.664 3.898 -5.451 137 HG LEU 23 HG LEU 23 13.671 5.669 -3.218 138 HD11 LEU 23 HD11 LEU 23 13.213 3.124 -3.254 139 HD12 LEU 23 HD12 LEU 23 13.896 3.854 -1.801 140 HD13 LEU 23 HD13 LEU 23 14.939 2.977 -2.921 141 HD21 LEU 23 HD21 LEU 23 16.448 4.635 -3.785 142 HD22 LEU 23 HD22 LEU 23 15.948 5.523 -2.345 143 HD23 LEU 23 HD23 LEU 23 15.919 6.312 -3.923 144 H ALA 24 H ALA 24 15.941 4.596 -7.410 145 HA ALA 24 HA ALA 24 14.181 3.960 -9.573 146 HB1 ALA 24 HB1 ALA 24 14.485 6.121 -10.385 147 HB2 ALA 24 HB2 ALA 24 16.183 6.165 -9.908 148 HB3 ALA 24 HB3 ALA 24 15.677 5.174 -11.276 149 H CYS 25 H CYS 25 15.099 2.490 -11.063 150 HA CYS 25 HA CYS 25 17.468 1.134 -10.016 151 HB2 CYS 25 HB2 CYS 25 15.168 0.023 -10.635 152 HB3 CYS 25 HB3 CYS 25 15.813 0.066 -12.272 153 H SER 26 H SER 26 19.354 1.725 -10.847 154 HA SER 26 HA SER 26 19.487 2.741 -13.581 155 HB2 SER 26 HB2 SER 26 20.718 3.573 -11.278 156 HB3 SER 26 HB3 SER 26 21.987 2.612 -12.036 157 HG SER 26 HG SER 26 21.571 3.883 -13.965 158 H THR 27 H THR 27 20.621 1.784 -15.211 159 HA THR 27 HA THR 27 21.120 -1.034 -14.964 160 HB THR 27 HB THR 27 22.063 0.367 -17.395 161 HG1 THR 27 HG1 THR 27 20.052 0.975 -18.048 162 HG21 THR 27 HG21 THR 27 21.144 -2.218 -16.616 163 HG22 THR 27 HG22 THR 27 21.821 -1.709 -18.163 164 HG23 THR 27 HG23 THR 27 20.083 -1.603 -17.883 165 H LYS 28 H LYS 28 22.908 1.550 -14.068 166 HA LYS 28 HA LYS 28 25.487 0.523 -14.963 167 HB2 LYS 28 HB2 LYS 28 25.025 2.966 -14.997 168 HB3 LYS 28 HB3 LYS 28 24.869 2.934 -13.245 169 HG2 LYS 28 HG2 LYS 28 27.032 3.673 -13.550 170 HG3 LYS 28 HG3 LYS 28 27.254 1.942 -13.284 171 HD2 LYS 28 HD2 LYS 28 28.262 1.757 -15.256 172 HD3 LYS 28 HD3 LYS 28 26.823 2.382 -16.065 173 HE2 LYS 28 HE2 LYS 28 27.599 4.595 -15.970 174 HE3 LYS 28 HE3 LYS 28 28.817 4.206 -14.756 175 HZ1 LYS 28 HZ1 LYS 28 29.468 2.612 -16.860 176 HZ2 LYS 28 HZ2 LYS 28 30.219 4.074 -16.461 177 HZ3 LYS 28 HZ3 LYS 28 28.979 4.047 -17.611 178 H HIS 29 H HIS 29 23.824 1.250 -11.901 179 HA HIS 29 HA HIS 29 25.796 -0.398 -10.486 180 HB2 HIS 29 HB2 HIS 29 23.728 1.545 -9.439 181 HB3 HIS 29 HB3 HIS 29 24.821 0.605 -8.427 182 HD1 HIS 29 HD1 HIS 29 27.368 1.059 -10.263 183 HD2 HIS 29 HD2 HIS 29 24.815 4.010 -8.835 184 HE1 HIS 29 HE1 HIS 29 28.719 3.180 -10.273 185 H LYS 30 H LYS 30 22.533 -0.355 -11.557 186 HA LYS 30 HA LYS 30 20.824 -1.847 -11.404 187 HB2 LYS 30 HB2 LYS 30 23.229 -3.522 -10.835 188 HB3 LYS 30 HB3 LYS 30 21.639 -4.224 -10.565 189 HG2 LYS 30 HG2 LYS 30 21.216 -3.278 -13.002 190 HG3 LYS 30 HG3 LYS 30 22.971 -3.449 -13.097 191 HD2 LYS 30 HD2 LYS 30 21.230 -5.685 -12.104 192 HD3 LYS 30 HD3 LYS 30 21.517 -5.438 -13.828 193 HE2 LYS 30 HE2 LYS 30 23.207 -6.903 -13.325 194 HE3 LYS 30 HE3 LYS 30 24.030 -5.363 -13.076 195 HZ1 LYS 30 HZ1 LYS 30 23.968 -7.347 -11.282 196 HZ2 LYS 30 HZ2 LYS 30 22.665 -6.410 -10.750 197 HZ3 LYS 30 HZ3 LYS 30 24.203 -5.720 -10.884 198 H TRP 31 H TRP 31 20.451 -0.237 -9.494 199 HA TRP 31 HA TRP 31 19.304 -1.711 -7.383 200 HB2 TRP 31 HB2 TRP 31 20.696 -1.245 -5.543 201 HB3 TRP 31 HB3 TRP 31 21.807 -1.760 -6.808 202 HD1 TRP 31 HD1 TRP 31 22.069 0.987 -8.386 203 HE1 TRP 31 HE1 TRP 31 23.350 2.945 -7.314 204 HE3 TRP 31 HE3 TRP 31 21.783 -0.441 -3.485 205 HZ2 TRP 31 HZ2 TRP 31 24.135 3.775 -4.733 206 HZ3 TRP 31 HZ3 TRP 31 22.826 0.991 -1.777 207 HH2 TRP 31 HH2 TRP 31 23.977 3.055 -2.390 208 H CYS 32 H CYS 32 18.172 -0.359 -5.851 209 HA CYS 32 HA CYS 32 17.052 1.941 -7.041 210 HB2 CYS 32 HB2 CYS 32 16.919 1.053 -4.151 211 HB3 CYS 32 HB3 CYS 32 15.847 2.218 -4.922 212 H LYS 33 H LYS 33 18.547 3.514 -7.481 213 HA LYS 33 HA LYS 33 20.114 4.585 -5.244 214 HB2 LYS 33 HB2 LYS 33 21.292 5.875 -7.076 215 HB3 LYS 33 HB3 LYS 33 21.496 4.128 -7.118 216 HG2 LYS 33 HG2 LYS 33 20.285 3.890 -9.034 217 HG3 LYS 33 HG3 LYS 33 19.289 5.311 -8.712 218 HD2 LYS 33 HD2 LYS 33 20.749 5.763 -10.581 219 HD3 LYS 33 HD3 LYS 33 21.247 6.745 -9.201 220 HE2 LYS 33 HE2 LYS 33 23.103 5.350 -8.759 221 HE3 LYS 33 HE3 LYS 33 22.504 4.088 -9.834 222 HZ1 LYS 33 HZ1 LYS 33 22.863 6.581 -11.184 223 HZ2 LYS 33 HZ2 LYS 33 23.465 5.049 -11.575 224 HZ3 LYS 33 HZ3 LYS 33 24.302 6.033 -10.483 225 H TYR 34 H TYR 34 19.937 6.690 -4.568 226 HA TYR 34 HA TYR 34 17.457 7.957 -4.779 227 HB2 TYR 34 HB2 TYR 34 20.152 8.816 -3.788 228 HB3 TYR 34 HB3 TYR 34 18.852 9.996 -3.906 229 HD1 TYR 34 HD1 TYR 34 16.495 8.708 -3.008 230 HD2 TYR 34 HD2 TYR 34 20.474 8.169 -1.601 231 HE1 TYR 34 HE1 TYR 34 15.618 7.968 -0.832 232 HE2 TYR 34 HE2 TYR 34 19.609 7.426 0.578 233 HH TYR 34 HH TYR 34 17.039 6.278 1.244 234 H GLU 35 H GLU 35 16.579 9.184 -6.304 235 HA GLU 35 HA GLU 35 18.121 9.929 -8.626 236 HB2 GLU 35 HB2 GLU 35 15.241 9.918 -7.879 237 HB3 GLU 35 HB3 GLU 35 15.747 11.030 -9.143 238 HG2 GLU 35 HG2 GLU 35 16.605 9.220 -10.467 239 HG3 GLU 35 HG3 GLU 35 16.283 8.070 -9.171 240 H LEU 36 H LEU 36 19.436 11.633 -8.393 241 HA LEU 36 HA LEU 36 18.354 14.055 -7.113 242 HB2 LEU 36 HB2 LEU 36 21.208 13.146 -7.449 243 HB3 LEU 36 HB3 LEU 36 20.729 14.714 -6.800 244 HG LEU 36 HG LEU 36 20.184 12.019 -5.557 245 HD11 LEU 36 HD11 LEU 36 21.881 12.428 -4.083 246 HD12 LEU 36 HD12 LEU 36 21.778 14.178 -4.275 247 HD13 LEU 36 HD13 LEU 36 22.536 13.197 -5.529 248 HD21 LEU 36 HD21 LEU 36 18.526 13.003 -4.457 249 HD22 LEU 36 HD22 LEU 36 18.877 14.554 -5.221 250 HD23 LEU 36 HD23 LEU 36 19.710 14.094 -3.735 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.026 0.582 0.651 2 HA2 GLY 1 HA2 GLY 1 1.519 0.020 -1.556 3 HA3 GLY 1 HA3 GLY 1 2.888 1.062 -1.196 4 H ALA 2 H ALA 2 3.458 -0.610 -3.078 5 HA ALA 2 HA ALA 2 5.120 -2.649 -1.775 6 HB1 ALA 2 HB1 ALA 2 3.216 -3.866 -2.588 7 HB2 ALA 2 HB2 ALA 2 3.358 -3.112 -4.177 8 HB3 ALA 2 HB3 ALA 2 4.602 -4.230 -3.617 9 H CYS 3 H CYS 3 7.057 -1.684 -2.109 10 HA CYS 3 HA CYS 3 8.014 -1.554 -4.845 11 HB2 CYS 3 HB2 CYS 3 8.958 0.747 -4.493 12 HB3 CYS 3 HB3 CYS 3 7.203 0.692 -4.623 13 H LEU 4 H LEU 4 10.438 -0.517 -4.599 14 HA LEU 4 HA LEU 4 11.705 -2.125 -2.481 15 HB2 LEU 4 HB2 LEU 4 12.813 -1.353 -5.176 16 HB3 LEU 4 HB3 LEU 4 13.638 -2.326 -3.960 17 HG LEU 4 HG LEU 4 11.079 -3.158 -5.319 18 HD11 LEU 4 HD11 LEU 4 13.806 -4.234 -5.945 19 HD12 LEU 4 HD12 LEU 4 13.130 -2.862 -6.821 20 HD13 LEU 4 HD13 LEU 4 12.305 -4.420 -6.851 21 HD21 LEU 4 HD21 LEU 4 12.937 -4.389 -3.342 22 HD22 LEU 4 HD22 LEU 4 12.129 -5.429 -4.516 23 HD23 LEU 4 HD23 LEU 4 11.175 -4.432 -3.416 24 H GLY 5 H GLY 5 12.580 -0.954 -0.913 25 HA2 GLY 5 HA2 GLY 5 12.964 1.851 -1.093 26 HA3 GLY 5 HA3 GLY 5 13.509 0.817 0.219 27 H PHE 6 H PHE 6 15.214 2.673 -0.134 28 HA PHE 6 HA PHE 6 17.069 2.393 -2.254 29 HB2 PHE 6 HB2 PHE 6 16.898 4.465 -0.978 30 HB3 PHE 6 HB3 PHE 6 17.410 3.630 0.485 31 HD1 PHE 6 HD2 PHE 6 18.513 4.695 -2.878 32 HD2 PHE 6 HD1 PHE 6 19.686 3.328 0.979 33 HE1 PHE 6 HE2 PHE 6 20.859 5.209 -3.413 34 HE2 PHE 6 HE1 PHE 6 22.034 3.841 0.451 35 HZ PHE 6 HZ PHE 6 22.623 4.781 -1.748 36 H GLY 7 H GLY 7 18.778 1.084 -2.516 37 HA2 GLY 7 HA2 GLY 7 20.581 -0.267 -1.845 38 HA3 GLY 7 HA3 GLY 7 19.916 -0.310 -0.220 39 H LYS 8 H LYS 8 17.683 -0.924 -2.732 40 HA LYS 8 HA LYS 8 17.651 -3.762 -1.985 41 HB2 LYS 8 HB2 LYS 8 15.544 -2.079 -3.354 42 HB3 LYS 8 HB3 LYS 8 15.366 -3.775 -2.921 43 HG2 LYS 8 HG2 LYS 8 15.908 -1.603 -0.913 44 HG3 LYS 8 HG3 LYS 8 14.287 -2.142 -1.358 45 HD2 LYS 8 HD2 LYS 8 14.568 -3.566 0.369 46 HD3 LYS 8 HD3 LYS 8 15.464 -4.515 -0.820 47 HE2 LYS 8 HE2 LYS 8 17.451 -2.962 -0.003 48 HE3 LYS 8 HE3 LYS 8 16.456 -2.871 1.449 49 HZ1 LYS 8 HZ1 LYS 8 17.517 -4.748 1.992 50 HZ2 LYS 8 HZ2 LYS 8 17.991 -5.082 0.404 51 HZ3 LYS 8 HZ3 LYS 8 16.439 -5.503 0.930 52 H SER 9 H SER 9 17.439 -5.389 -3.587 53 HA SER 9 HA SER 9 18.918 -4.793 -5.997 54 HB2 SER 9 HB2 SER 9 17.804 -7.363 -4.860 55 HB3 SER 9 HB3 SER 9 18.674 -7.279 -6.392 56 HG SER 9 HG SER 9 19.655 -6.601 -3.818 57 H CYS 10 H CYS 10 17.838 -3.852 -7.609 58 HA CYS 10 HA CYS 10 15.179 -4.915 -8.307 59 HB2 CYS 10 HB2 CYS 10 14.769 -2.694 -9.373 60 HB3 CYS 10 HB3 CYS 10 14.988 -2.611 -7.628 61 H ASN 11 H ASN 11 14.695 -4.324 -10.739 62 HA ASN 11 HA ASN 11 16.989 -5.310 -12.299 63 HB2 ASN 11 HB2 ASN 11 14.892 -6.751 -12.122 64 HB3 ASN 11 HB3 ASN 11 14.088 -5.527 -13.099 65 HD21 ASN 11 HD21 ASN 11 14.258 -5.645 -15.235 66 HD22 ASN 11 HD22 ASN 11 15.324 -6.697 -16.096 67 HA PRO 12 HA PRO 12 17.014 -1.464 -14.462 68 HB2 PRO 12 HB2 PRO 12 18.459 -2.250 -16.621 69 HB3 PRO 12 HB3 PRO 12 19.180 -1.981 -15.030 70 HG2 PRO 12 HG2 PRO 12 18.364 -4.551 -16.329 71 HG3 PRO 12 HG3 PRO 12 19.829 -4.183 -15.402 72 HD2 PRO 12 HD2 PRO 12 17.719 -5.499 -14.330 73 HD3 PRO 12 HD3 PRO 12 18.758 -4.422 -13.375 74 H SER 13 H SER 13 16.252 -4.418 -16.288 75 HA SER 13 HA SER 13 15.029 -3.138 -18.477 76 HB2 SER 13 HB2 SER 13 15.728 -5.708 -17.924 77 HB3 SER 13 HB3 SER 13 13.976 -5.798 -17.741 78 HG SER 13 HG SER 13 14.115 -6.042 -19.846 79 H ASN 14 H ASN 14 13.940 -3.774 -15.278 80 HA ASN 14 HA ASN 14 11.380 -2.525 -15.904 81 HB2 ASN 14 HB2 ASN 14 11.285 -5.147 -15.898 82 HB3 ASN 14 HB3 ASN 14 11.337 -4.953 -14.148 83 HD21 ASN 14 HD21 ASN 14 9.222 -5.942 -15.948 84 HD22 ASN 14 HD22 ASN 14 7.831 -4.979 -15.596 85 H ASP 15 H ASP 15 12.854 -0.902 -14.777 86 HA ASP 15 HA ASP 15 13.636 -1.033 -12.142 87 HB2 ASP 15 HB2 ASP 15 13.286 1.470 -12.115 88 HB3 ASP 15 HB3 ASP 15 14.271 0.863 -13.443 89 H GLN 16 H GLN 16 12.552 -1.475 -10.351 90 HA GLN 16 HA GLN 16 9.845 -0.395 -10.022 91 HB2 GLN 16 HB2 GLN 16 10.640 -3.240 -9.376 92 HB3 GLN 16 HB3 GLN 16 9.074 -2.510 -9.047 93 HG2 GLN 16 HG2 GLN 16 9.519 -2.093 -11.768 94 HG3 GLN 16 HG3 GLN 16 10.054 -3.743 -11.450 95 HE21 GLN 16 HE21 GLN 16 8.362 -4.664 -12.574 96 HE22 GLN 16 HE22 GLN 16 6.737 -4.651 -11.989 97 H CYS 17 H CYS 17 11.088 1.161 -8.743 98 HA CYS 17 HA CYS 17 11.791 0.099 -6.085 99 HB2 CYS 17 HB2 CYS 17 12.888 2.490 -7.572 100 HB3 CYS 17 HB3 CYS 17 13.205 2.177 -5.869 101 H CYS 18 H CYS 18 11.810 2.263 -4.542 102 HA CYS 18 HA CYS 18 9.002 2.969 -4.402 103 HB2 CYS 18 HB2 CYS 18 11.329 3.487 -2.546 104 HB3 CYS 18 HB3 CYS 18 9.688 4.041 -2.229 105 H LYS 19 H LYS 19 8.463 4.532 -5.823 106 HA LYS 19 HA LYS 19 10.132 6.670 -6.600 107 HB2 LYS 19 HB2 LYS 19 7.114 6.528 -6.718 108 HB3 LYS 19 HB3 LYS 19 8.143 7.609 -7.649 109 HG2 LYS 19 HG2 LYS 19 8.103 4.605 -7.860 110 HG3 LYS 19 HG3 LYS 19 7.355 5.734 -8.991 111 HD2 LYS 19 HD2 LYS 19 9.640 6.725 -9.347 112 HD3 LYS 19 HD3 LYS 19 10.291 5.379 -8.409 113 HE2 LYS 19 HE2 LYS 19 9.338 3.800 -10.012 114 HE3 LYS 19 HE3 LYS 19 8.667 5.140 -10.941 115 HZ1 LYS 19 HZ1 LYS 19 10.766 4.267 -11.854 116 HZ2 LYS 19 HZ2 LYS 19 11.565 4.736 -10.439 117 HZ3 LYS 19 HZ3 LYS 19 10.866 5.905 -11.442 118 H SER 20 H SER 20 7.810 6.280 -4.012 119 HA SER 20 HA SER 20 7.361 8.926 -3.305 120 HB2 SER 20 HB2 SER 20 6.449 6.639 -2.325 121 HB3 SER 20 HB3 SER 20 7.725 6.903 -1.136 122 HG SER 20 HG SER 20 5.384 8.340 -1.592 123 H SER 21 H SER 21 10.092 6.831 -2.591 124 HA SER 21 HA SER 21 11.353 8.937 -1.000 125 HB2 SER 21 HB2 SER 21 11.280 6.389 -0.395 126 HB3 SER 21 HB3 SER 21 12.621 6.271 -1.535 127 HG SER 21 HG SER 21 12.530 7.390 0.985 128 H SER 22 H SER 22 10.981 8.864 -4.020 129 HA SER 22 HA SER 22 12.140 9.410 -5.904 130 HB2 SER 22 HB2 SER 22 13.704 10.687 -3.695 131 HB3 SER 22 HB3 SER 22 14.353 10.731 -5.334 132 HG SER 22 HG SER 22 12.420 11.732 -5.999 133 H LEU 23 H LEU 23 12.427 6.888 -5.738 134 HA LEU 23 HA LEU 23 15.311 6.297 -5.856 135 HB2 LEU 23 HB2 LEU 23 12.988 4.488 -5.222 136 HB3 LEU 23 HB3 LEU 23 14.641 3.928 -5.467 137 HG LEU 23 HG LEU 23 13.664 5.722 -3.246 138 HD11 LEU 23 HD11 LEU 23 13.866 3.912 -1.817 139 HD12 LEU 23 HD12 LEU 23 14.891 3.012 -2.935 140 HD13 LEU 23 HD13 LEU 23 13.167 3.186 -3.265 141 HD21 LEU 23 HD21 LEU 23 15.918 6.337 -3.940 142 HD22 LEU 23 HD22 LEU 23 16.428 4.653 -3.814 143 HD23 LEU 23 HD23 LEU 23 15.941 5.538 -2.367 144 H ALA 24 H ALA 24 15.924 4.599 -7.424 145 HA ALA 24 HA ALA 24 14.164 3.971 -9.589 146 HB1 ALA 24 HB1 ALA 24 14.969 5.313 -11.290 147 HB2 ALA 24 HB2 ALA 24 14.936 6.427 -9.923 148 HB3 ALA 24 HB3 ALA 24 16.459 5.694 -10.427 149 H CYS 25 H CYS 25 15.068 2.481 -11.066 150 HA CYS 25 HA CYS 25 17.417 1.103 -10.004 151 HB2 CYS 25 HB2 CYS 25 15.111 0.014 -10.627 152 HB3 CYS 25 HB3 CYS 25 15.757 0.049 -12.264 153 H SER 26 H SER 26 19.315 1.667 -10.827 154 HA SER 26 HA SER 26 19.469 2.640 -13.581 155 HB2 SER 26 HB2 SER 26 20.667 3.530 -11.269 156 HB3 SER 26 HB3 SER 26 21.957 2.593 -12.024 157 HG SER 26 HG SER 26 21.152 3.889 -14.000 158 H THR 27 H THR 27 20.652 1.660 -15.165 159 HA THR 27 HA THR 27 21.174 -1.146 -14.840 160 HB THR 27 HB THR 27 22.143 0.232 -17.281 161 HG1 THR 27 HG1 THR 27 19.726 0.120 -17.887 162 HG21 THR 27 HG21 THR 27 21.321 -2.371 -16.476 163 HG22 THR 27 HG22 THR 27 21.980 -1.859 -18.030 164 HG23 THR 27 HG23 THR 27 20.238 -1.823 -17.755 165 H LYS 28 H LYS 28 22.917 1.474 -13.963 166 HA LYS 28 HA LYS 28 25.525 0.509 -14.811 167 HB2 LYS 28 HB2 LYS 28 24.835 2.976 -14.651 168 HB3 LYS 28 HB3 LYS 28 24.999 2.786 -12.910 169 HG2 LYS 28 HG2 LYS 28 27.259 2.694 -12.992 170 HG3 LYS 28 HG3 LYS 28 27.281 1.902 -14.569 171 HD2 LYS 28 HD2 LYS 28 26.226 4.344 -15.181 172 HD3 LYS 28 HD3 LYS 28 27.354 4.752 -13.886 173 HE2 LYS 28 HE2 LYS 28 29.099 3.447 -15.136 174 HE3 LYS 28 HE3 LYS 28 27.957 3.331 -16.473 175 HZ1 LYS 28 HZ1 LYS 28 27.978 5.666 -16.749 176 HZ2 LYS 28 HZ2 LYS 28 29.596 5.188 -16.632 177 HZ3 LYS 28 HZ3 LYS 28 28.831 5.913 -15.309 178 H HIS 29 H HIS 29 23.799 1.082 -11.752 179 HA HIS 29 HA HIS 29 25.761 -0.632 -10.392 180 HB2 HIS 29 HB2 HIS 29 23.791 1.383 -9.297 181 HB3 HIS 29 HB3 HIS 29 24.794 0.340 -8.292 182 HD1 HIS 29 HD1 HIS 29 27.384 0.693 -10.137 183 HD2 HIS 29 HD2 HIS 29 25.053 3.727 -8.516 184 HE1 HIS 29 HE1 HIS 29 28.882 2.710 -10.034 185 H LYS 30 H LYS 30 22.522 -0.490 -11.479 186 HA LYS 30 HA LYS 30 20.770 -1.935 -11.358 187 HB2 LYS 30 HB2 LYS 30 23.119 -3.677 -10.759 188 HB3 LYS 30 HB3 LYS 30 21.508 -4.337 -10.513 189 HG2 LYS 30 HG2 LYS 30 21.145 -3.373 -12.953 190 HG3 LYS 30 HG3 LYS 30 22.895 -3.593 -13.024 191 HD2 LYS 30 HD2 LYS 30 21.005 -5.760 -12.130 192 HD3 LYS 30 HD3 LYS 30 21.495 -5.547 -13.813 193 HE2 LYS 30 HE2 LYS 30 23.547 -5.760 -11.642 194 HE3 LYS 30 HE3 LYS 30 22.796 -7.210 -12.308 195 HZ1 LYS 30 HZ1 LYS 30 24.766 -5.461 -13.473 196 HZ2 LYS 30 HZ2 LYS 30 23.494 -5.838 -14.522 197 HZ3 LYS 30 HZ3 LYS 30 24.410 -7.078 -13.825 198 H TRP 31 H TRP 31 20.405 -0.323 -9.452 199 HA TRP 31 HA TRP 31 19.192 -1.776 -7.361 200 HB2 TRP 31 HB2 TRP 31 20.561 -1.316 -5.494 201 HB3 TRP 31 HB3 TRP 31 21.671 -1.889 -6.735 202 HD1 TRP 31 HD1 TRP 31 21.986 0.863 -8.343 203 HE1 TRP 31 HE1 TRP 31 23.343 2.777 -7.285 204 HE3 TRP 31 HE3 TRP 31 21.736 -0.575 -3.443 205 HZ2 TRP 31 HZ2 TRP 31 24.195 3.572 -4.715 206 HZ3 TRP 31 HZ3 TRP 31 22.849 0.817 -1.747 207 HH2 TRP 31 HH2 TRP 31 24.053 2.847 -2.372 208 H CYS 32 H CYS 32 18.065 -0.401 -5.844 209 HA CYS 32 HA CYS 32 17.010 1.921 -7.051 210 HB2 CYS 32 HB2 CYS 32 16.811 1.048 -4.161 211 HB3 CYS 32 HB3 CYS 32 15.766 2.216 -4.965 212 H LYS 33 H LYS 33 18.563 3.451 -7.467 213 HA LYS 33 HA LYS 33 20.106 4.493 -5.200 214 HB2 LYS 33 HB2 LYS 33 21.350 5.751 -7.003 215 HB3 LYS 33 HB3 LYS 33 21.504 4.000 -7.058 216 HG2 LYS 33 HG2 LYS 33 20.277 3.812 -8.982 217 HG3 LYS 33 HG3 LYS 33 19.378 5.302 -8.683 218 HD2 LYS 33 HD2 LYS 33 20.893 5.647 -10.526 219 HD3 LYS 33 HD3 LYS 33 21.447 6.588 -9.140 220 HE2 LYS 33 HE2 LYS 33 23.149 4.981 -8.646 221 HE3 LYS 33 HE3 LYS 33 22.511 3.860 -9.848 222 HZ1 LYS 33 HZ1 LYS 33 23.839 6.465 -10.344 223 HZ2 LYS 33 HZ2 LYS 33 23.030 5.591 -11.545 224 HZ3 LYS 33 HZ3 LYS 33 24.389 4.928 -10.787 225 H TYR 34 H TYR 34 19.998 6.625 -4.562 226 HA TYR 34 HA TYR 34 17.543 7.939 -4.776 227 HB2 TYR 34 HB2 TYR 34 20.263 8.773 -3.825 228 HB3 TYR 34 HB3 TYR 34 18.967 9.959 -3.931 229 HD1 TYR 34 HD1 TYR 34 16.619 8.667 -2.993 230 HD2 TYR 34 HD2 TYR 34 20.618 8.159 -1.634 231 HE1 TYR 34 HE1 TYR 34 15.775 7.946 -0.798 232 HE2 TYR 34 HE2 TYR 34 19.786 7.436 0.565 233 HH TYR 34 HH TYR 34 17.000 6.319 1.199 234 H GLU 35 H GLU 35 16.680 9.163 -6.311 235 HA GLU 35 HA GLU 35 18.260 9.881 -8.630 236 HB2 GLU 35 HB2 GLU 35 15.341 9.928 -7.955 237 HB3 GLU 35 HB3 GLU 35 15.933 10.858 -9.325 238 HG2 GLU 35 HG2 GLU 35 17.049 8.617 -10.021 239 HG3 GLU 35 HG3 GLU 35 15.858 7.903 -8.935 240 H LEU 36 H LEU 36 19.500 11.637 -8.434 241 HA LEU 36 HA LEU 36 18.339 14.032 -7.172 242 HB2 LEU 36 HB2 LEU 36 21.212 13.184 -7.485 243 HB3 LEU 36 HB3 LEU 36 20.712 14.770 -6.902 244 HG LEU 36 HG LEU 36 20.223 12.117 -5.550 245 HD11 LEU 36 HD11 LEU 36 22.151 14.356 -5.146 246 HD12 LEU 36 HD12 LEU 36 22.415 12.614 -5.073 247 HD13 LEU 36 HD13 LEU 36 21.581 13.435 -3.754 248 HD21 LEU 36 HD21 LEU 36 18.362 13.265 -4.885 249 HD22 LEU 36 HD22 LEU 36 19.123 14.843 -5.090 250 HD23 LEU 36 HD23 LEU 36 19.520 13.847 -3.689 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.081 -1.069 -0.354 2 HA2 GLY 1 HA2 GLY 1 3.099 0.942 -0.958 3 HA3 GLY 1 HA3 GLY 1 3.086 0.339 0.693 4 H ALA 2 H ALA 2 3.661 -0.471 -2.660 5 HA ALA 2 HA ALA 2 5.256 -2.768 -1.761 6 HB1 ALA 2 HB1 ALA 2 3.236 -3.757 -2.558 7 HB2 ALA 2 HB2 ALA 2 3.266 -2.771 -4.021 8 HB3 ALA 2 HB3 ALA 2 4.483 -4.024 -3.777 9 H CYS 3 H CYS 3 7.239 -1.919 -2.126 10 HA CYS 3 HA CYS 3 8.101 -1.638 -4.848 11 HB2 CYS 3 HB2 CYS 3 9.015 0.679 -4.521 12 HB3 CYS 3 HB3 CYS 3 7.259 0.595 -4.615 13 H LEU 4 H LEU 4 10.513 -0.560 -4.654 14 HA LEU 4 HA LEU 4 11.850 -2.158 -2.572 15 HB2 LEU 4 HB2 LEU 4 12.892 -1.321 -5.274 16 HB3 LEU 4 HB3 LEU 4 13.764 -2.288 -4.086 17 HG LEU 4 HG LEU 4 11.205 -3.165 -5.417 18 HD11 LEU 4 HD11 LEU 4 13.102 -2.836 -7.013 19 HD12 LEU 4 HD12 LEU 4 12.511 -4.493 -6.901 20 HD13 LEU 4 HD13 LEU 4 14.008 -4.035 -6.090 21 HD21 LEU 4 HD21 LEU 4 11.359 -4.448 -3.520 22 HD22 LEU 4 HD22 LEU 4 13.121 -4.382 -3.484 23 HD23 LEU 4 HD23 LEU 4 12.300 -5.420 -4.651 24 H GLY 5 H GLY 5 12.686 -0.974 -0.992 25 HA2 GLY 5 HA2 GLY 5 13.025 1.838 -1.154 26 HA3 GLY 5 HA3 GLY 5 13.588 0.805 0.152 27 H PHE 6 H PHE 6 15.273 2.668 -0.165 28 HA PHE 6 HA PHE 6 17.125 2.462 -2.294 29 HB2 PHE 6 HB2 PHE 6 16.901 4.486 -0.909 30 HB3 PHE 6 HB3 PHE 6 17.525 3.602 0.480 31 HD1 PHE 6 HD2 PHE 6 18.392 4.857 -2.888 32 HD2 PHE 6 HD1 PHE 6 19.834 3.365 0.829 33 HE1 PHE 6 HE2 PHE 6 20.684 5.479 -3.531 34 HE2 PHE 6 HE1 PHE 6 22.128 3.986 0.192 35 HZ PHE 6 HZ PHE 6 22.556 5.045 -1.990 36 H GLY 7 H GLY 7 18.908 1.239 -2.569 37 HA2 GLY 7 HA2 GLY 7 20.692 -0.149 -1.976 38 HA3 GLY 7 HA3 GLY 7 20.069 -0.209 -0.333 39 H LYS 8 H LYS 8 17.775 -0.817 -2.791 40 HA LYS 8 HA LYS 8 17.769 -3.657 -2.057 41 HB2 LYS 8 HB2 LYS 8 15.638 -1.966 -3.377 42 HB3 LYS 8 HB3 LYS 8 15.470 -3.670 -2.975 43 HG2 LYS 8 HG2 LYS 8 15.976 -1.484 -0.967 44 HG3 LYS 8 HG3 LYS 8 14.388 -2.152 -1.352 45 HD2 LYS 8 HD2 LYS 8 16.711 -3.797 -0.357 46 HD3 LYS 8 HD3 LYS 8 15.462 -3.122 0.691 47 HE2 LYS 8 HE2 LYS 8 13.851 -4.332 -0.995 48 HE3 LYS 8 HE3 LYS 8 15.280 -5.310 -1.328 49 HZ1 LYS 8 HZ1 LYS 8 15.129 -6.337 0.637 50 HZ2 LYS 8 HZ2 LYS 8 13.528 -5.790 0.649 51 HZ3 LYS 8 HZ3 LYS 8 14.723 -4.926 1.478 52 H SER 9 H SER 9 17.620 -5.287 -3.633 53 HA SER 9 HA SER 9 19.035 -4.682 -6.069 54 HB2 SER 9 HB2 SER 9 18.057 -7.199 -4.755 55 HB3 SER 9 HB3 SER 9 18.587 -7.230 -6.437 56 HG SER 9 HG SER 9 20.368 -7.659 -5.207 57 H CYS 10 H CYS 10 17.930 -3.732 -7.660 58 HA CYS 10 HA CYS 10 15.271 -4.810 -8.339 59 HB2 CYS 10 HB2 CYS 10 14.841 -2.579 -9.389 60 HB3 CYS 10 HB3 CYS 10 15.058 -2.516 -7.643 61 H ASN 11 H ASN 11 14.759 -4.201 -10.761 62 HA ASN 11 HA ASN 11 17.031 -5.189 -12.349 63 HB2 ASN 11 HB2 ASN 11 14.807 -6.514 -12.153 64 HB3 ASN 11 HB3 ASN 11 14.166 -5.297 -13.253 65 HD21 ASN 11 HD21 ASN 11 14.308 -5.742 -15.323 66 HD22 ASN 11 HD22 ASN 11 15.427 -6.834 -16.057 67 HA PRO 12 HA PRO 12 17.151 -1.307 -14.442 68 HB2 PRO 12 HB2 PRO 12 18.574 -2.091 -16.617 69 HB3 PRO 12 HB3 PRO 12 19.303 -1.868 -15.022 70 HG2 PRO 12 HG2 PRO 12 18.420 -4.394 -16.366 71 HG3 PRO 12 HG3 PRO 12 19.896 -4.079 -15.433 72 HD2 PRO 12 HD2 PRO 12 17.754 -5.360 -14.383 73 HD3 PRO 12 HD3 PRO 12 18.821 -4.326 -13.410 74 H SER 13 H SER 13 16.314 -4.208 -16.319 75 HA SER 13 HA SER 13 15.093 -2.824 -18.463 76 HB2 SER 13 HB2 SER 13 15.900 -5.275 -18.367 77 HB3 SER 13 HB3 SER 13 14.336 -5.617 -17.627 78 HG SER 13 HG SER 13 13.800 -5.801 -19.675 79 H ASN 14 H ASN 14 14.007 -3.712 -15.306 80 HA ASN 14 HA ASN 14 11.412 -2.481 -15.880 81 HB2 ASN 14 HB2 ASN 14 11.447 -5.118 -15.848 82 HB3 ASN 14 HB3 ASN 14 11.470 -4.887 -14.102 83 HD21 ASN 14 HD21 ASN 14 9.401 -6.122 -15.578 84 HD22 ASN 14 HD22 ASN 14 7.974 -5.166 -15.387 85 H ASP 15 H ASP 15 12.907 -0.825 -14.777 86 HA ASP 15 HA ASP 15 13.692 -0.934 -12.141 87 HB2 ASP 15 HB2 ASP 15 13.495 1.520 -12.119 88 HB3 ASP 15 HB3 ASP 15 14.235 0.943 -13.610 89 H GLN 16 H GLN 16 12.585 -1.443 -10.381 90 HA GLN 16 HA GLN 16 9.882 -0.347 -10.044 91 HB2 GLN 16 HB2 GLN 16 10.700 -3.195 -9.446 92 HB3 GLN 16 HB3 GLN 16 9.147 -2.480 -9.036 93 HG2 GLN 16 HG2 GLN 16 9.448 -1.996 -11.755 94 HG3 GLN 16 HG3 GLN 16 10.047 -3.636 -11.517 95 HE21 GLN 16 HE21 GLN 16 8.618 -5.089 -10.267 96 HE22 GLN 16 HE22 GLN 16 6.912 -4.946 -10.500 97 H CYS 17 H CYS 17 11.119 1.213 -8.762 98 HA CYS 17 HA CYS 17 11.835 0.151 -6.108 99 HB2 CYS 17 HB2 CYS 17 12.889 2.560 -7.595 100 HB3 CYS 17 HB3 CYS 17 13.206 2.263 -5.889 101 H CYS 18 H CYS 18 11.822 2.309 -4.556 102 HA CYS 18 HA CYS 18 9.002 2.959 -4.395 103 HB2 CYS 18 HB2 CYS 18 11.329 3.549 -2.558 104 HB3 CYS 18 HB3 CYS 18 9.669 4.032 -2.226 105 H LYS 19 H LYS 19 8.382 4.527 -5.762 106 HA LYS 19 HA LYS 19 10.000 6.689 -6.591 107 HB2 LYS 19 HB2 LYS 19 6.982 6.594 -6.608 108 HB3 LYS 19 HB3 LYS 19 8.022 7.563 -7.643 109 HG2 LYS 19 HG2 LYS 19 7.863 4.556 -7.656 110 HG3 LYS 19 HG3 LYS 19 7.085 5.633 -8.817 111 HD2 LYS 19 HD2 LYS 19 8.942 5.487 -10.040 112 HD3 LYS 19 HD3 LYS 19 9.745 6.441 -8.790 113 HE2 LYS 19 HE2 LYS 19 11.095 4.545 -9.041 114 HE3 LYS 19 HE3 LYS 19 10.140 4.218 -7.596 115 HZ1 LYS 19 HZ1 LYS 19 9.286 2.424 -8.544 116 HZ2 LYS 19 HZ2 LYS 19 10.359 2.628 -9.835 117 HZ3 LYS 19 HZ3 LYS 19 8.803 3.286 -9.917 118 H SER 20 H SER 20 7.748 6.267 -3.944 119 HA SER 20 HA SER 20 7.296 8.909 -3.220 120 HB2 SER 20 HB2 SER 20 7.573 6.470 -1.448 121 HB3 SER 20 HB3 SER 20 6.917 8.020 -0.921 122 HG SER 20 HG SER 20 5.108 7.584 -1.910 123 H SER 21 H SER 21 10.049 6.823 -2.557 124 HA SER 21 HA SER 21 11.331 8.924 -0.981 125 HB2 SER 21 HB2 SER 21 11.827 6.001 -1.393 126 HB3 SER 21 HB3 SER 21 13.164 7.029 -0.877 127 HG SER 21 HG SER 21 12.224 6.384 0.981 128 H SER 22 H SER 22 10.888 8.859 -4.004 129 HA SER 22 HA SER 22 11.998 9.432 -5.910 130 HB2 SER 22 HB2 SER 22 13.565 10.756 -3.729 131 HB3 SER 22 HB3 SER 22 14.173 10.825 -5.384 132 HG SER 22 HG SER 22 11.953 11.586 -5.899 133 H LEU 23 H LEU 23 12.371 6.901 -5.674 134 HA LEU 23 HA LEU 23 15.268 6.403 -5.849 135 HB2 LEU 23 HB2 LEU 23 12.995 4.534 -5.206 136 HB3 LEU 23 HB3 LEU 23 14.655 4.009 -5.480 137 HG LEU 23 HG LEU 23 13.695 5.786 -3.237 138 HD11 LEU 23 HD11 LEU 23 13.904 3.970 -1.815 139 HD12 LEU 23 HD12 LEU 23 14.905 3.065 -2.950 140 HD13 LEU 23 HD13 LEU 23 13.178 3.255 -3.254 141 HD21 LEU 23 HD21 LEU 23 16.280 5.482 -4.395 142 HD22 LEU 23 HD22 LEU 23 16.288 4.752 -2.789 143 HD23 LEU 23 HD23 LEU 23 15.801 6.436 -2.991 144 H ALA 24 H ALA 24 15.911 4.710 -7.423 145 HA ALA 24 HA ALA 24 14.160 4.065 -9.590 146 HB1 ALA 24 HB1 ALA 24 16.330 6.096 -10.104 147 HB2 ALA 24 HB2 ALA 24 15.350 5.304 -11.339 148 HB3 ALA 24 HB3 ALA 24 14.592 6.386 -10.171 149 H CYS 25 H CYS 25 15.085 2.592 -11.071 150 HA CYS 25 HA CYS 25 17.464 1.255 -10.020 151 HB2 CYS 25 HB2 CYS 25 15.171 0.124 -10.617 152 HB3 CYS 25 HB3 CYS 25 15.802 0.162 -12.260 153 H SER 26 H SER 26 19.350 1.802 -10.873 154 HA SER 26 HA SER 26 19.460 2.792 -13.625 155 HB2 SER 26 HB2 SER 26 20.679 3.689 -11.328 156 HB3 SER 26 HB3 SER 26 21.967 2.761 -12.097 157 HG SER 26 HG SER 26 20.721 5.104 -12.919 158 H THR 27 H THR 27 20.640 1.828 -15.224 159 HA THR 27 HA THR 27 21.183 -0.975 -14.916 160 HB THR 27 HB THR 27 21.942 0.656 -17.328 161 HG1 THR 27 HG1 THR 27 19.888 1.172 -17.435 162 HG21 THR 27 HG21 THR 27 21.388 -2.208 -16.719 163 HG22 THR 27 HG22 THR 27 22.640 -1.492 -17.734 164 HG23 THR 27 HG23 THR 27 20.981 -1.597 -18.322 165 H LYS 28 H LYS 28 22.915 1.647 -14.036 166 HA LYS 28 HA LYS 28 25.522 0.704 -14.913 167 HB2 LYS 28 HB2 LYS 28 24.573 3.202 -14.462 168 HB3 LYS 28 HB3 LYS 28 25.351 2.879 -12.918 169 HG2 LYS 28 HG2 LYS 28 26.757 2.502 -15.545 170 HG3 LYS 28 HG3 LYS 28 26.750 4.037 -14.674 171 HD2 LYS 28 HD2 LYS 28 28.133 3.273 -13.045 172 HD3 LYS 28 HD3 LYS 28 27.486 1.632 -13.116 173 HE2 LYS 28 HE2 LYS 28 29.525 1.236 -14.038 174 HE3 LYS 28 HE3 LYS 28 28.659 1.697 -15.502 175 HZ1 LYS 28 HZ1 LYS 28 30.944 2.788 -14.848 176 HZ2 LYS 28 HZ2 LYS 28 29.944 3.820 -13.956 177 HZ3 LYS 28 HZ3 LYS 28 29.735 3.677 -15.629 178 H HIS 29 H HIS 29 23.824 1.263 -11.836 179 HA HIS 29 HA HIS 29 25.807 -0.444 -10.498 180 HB2 HIS 29 HB2 HIS 29 23.862 1.600 -9.421 181 HB3 HIS 29 HB3 HIS 29 24.784 0.513 -8.387 182 HD1 HIS 29 HD1 HIS 29 27.479 0.733 -10.023 183 HD2 HIS 29 HD2 HIS 29 25.164 3.918 -8.698 184 HE1 HIS 29 HE1 HIS 29 29.049 2.693 -9.884 185 H LYS 30 H LYS 30 22.563 -0.327 -11.565 186 HA LYS 30 HA LYS 30 20.821 -1.784 -11.434 187 HB2 LYS 30 HB2 LYS 30 23.184 -3.511 -10.839 188 HB3 LYS 30 HB3 LYS 30 21.575 -4.180 -10.600 189 HG2 LYS 30 HG2 LYS 30 21.180 -3.259 -13.026 190 HG3 LYS 30 HG3 LYS 30 22.940 -3.367 -13.114 191 HD2 LYS 30 HD2 LYS 30 21.136 -5.639 -12.287 192 HD3 LYS 30 HD3 LYS 30 21.750 -5.404 -13.925 193 HE2 LYS 30 HE2 LYS 30 24.007 -5.682 -13.191 194 HE3 LYS 30 HE3 LYS 30 23.517 -5.661 -11.498 195 HZ1 LYS 30 HZ1 LYS 30 22.250 -7.721 -11.942 196 HZ2 LYS 30 HZ2 LYS 30 23.918 -7.906 -12.154 197 HZ3 LYS 30 HZ3 LYS 30 22.904 -7.764 -13.501 198 H TRP 31 H TRP 31 20.460 -0.173 -9.523 199 HA TRP 31 HA TRP 31 19.279 -1.644 -7.421 200 HB2 TRP 31 HB2 TRP 31 20.649 -1.122 -5.562 201 HB3 TRP 31 HB3 TRP 31 21.752 -1.716 -6.800 202 HD1 TRP 31 HD1 TRP 31 21.992 1.029 -8.465 203 HE1 TRP 31 HE1 TRP 31 23.364 2.964 -7.465 204 HE3 TRP 31 HE3 TRP 31 21.899 -0.367 -3.548 205 HZ2 TRP 31 HZ2 TRP 31 24.285 3.789 -4.927 206 HZ3 TRP 31 HZ3 TRP 31 23.050 1.049 -1.897 207 HH2 TRP 31 HH2 TRP 31 24.219 3.083 -2.575 208 H CYS 32 H CYS 32 18.156 -0.274 -5.883 209 HA CYS 32 HA CYS 32 17.022 2.005 -7.099 210 HB2 CYS 32 HB2 CYS 32 16.905 1.124 -4.206 211 HB3 CYS 32 HB3 CYS 32 15.847 2.315 -4.954 212 H LYS 33 H LYS 33 18.529 3.564 -7.570 213 HA LYS 33 HA LYS 33 20.094 4.676 -5.351 214 HB2 LYS 33 HB2 LYS 33 21.280 5.928 -7.191 215 HB3 LYS 33 HB3 LYS 33 21.461 4.179 -7.236 216 HG2 LYS 33 HG2 LYS 33 20.294 3.966 -9.166 217 HG3 LYS 33 HG3 LYS 33 19.242 5.338 -8.812 218 HD2 LYS 33 HD2 LYS 33 20.657 5.908 -10.670 219 HD3 LYS 33 HD3 LYS 33 21.159 6.854 -9.266 220 HE2 LYS 33 HE2 LYS 33 23.041 5.445 -8.893 221 HE3 LYS 33 HE3 LYS 33 22.468 4.264 -10.070 222 HZ1 LYS 33 HZ1 LYS 33 23.637 6.930 -10.554 223 HZ2 LYS 33 HZ2 LYS 33 22.671 6.186 -11.725 224 HZ3 LYS 33 HZ3 LYS 33 24.095 5.436 -11.204 225 H TYR 34 H TYR 34 19.964 6.823 -4.757 226 HA TYR 34 HA TYR 34 17.474 8.076 -4.927 227 HB2 TYR 34 HB2 TYR 34 20.200 9.004 -4.083 228 HB3 TYR 34 HB3 TYR 34 18.861 10.144 -4.159 229 HD1 TYR 34 HD1 TYR 34 16.595 8.725 -3.136 230 HD2 TYR 34 HD2 TYR 34 20.653 8.504 -1.876 231 HE1 TYR 34 HE1 TYR 34 15.856 8.011 -0.902 232 HE2 TYR 34 HE2 TYR 34 19.925 7.788 0.361 233 HH TYR 34 HH TYR 34 17.441 8.211 1.710 234 H GLU 35 H GLU 35 16.536 9.202 -6.490 235 HA GLU 35 HA GLU 35 17.982 9.866 -8.887 236 HB2 GLU 35 HB2 GLU 35 15.127 10.006 -8.010 237 HB3 GLU 35 HB3 GLU 35 15.633 10.943 -9.409 238 HG2 GLU 35 HG2 GLU 35 16.643 8.694 -10.222 239 HG3 GLU 35 HG3 GLU 35 15.532 7.984 -9.052 240 H LEU 36 H LEU 36 19.326 11.560 -8.777 241 HA LEU 36 HA LEU 36 18.296 14.188 -8.528 242 HB2 LEU 36 HB2 LEU 36 19.643 14.877 -6.567 243 HB3 LEU 36 HB3 LEU 36 18.323 13.776 -6.176 244 HG LEU 36 HG LEU 36 20.258 11.974 -6.374 245 HD11 LEU 36 HD11 LEU 36 21.648 14.581 -6.018 246 HD12 LEU 36 HD12 LEU 36 22.145 13.149 -6.919 247 HD13 LEU 36 HD13 LEU 36 22.255 13.166 -5.159 248 HD21 LEU 36 HD21 LEU 36 19.802 13.768 -3.992 249 HD22 LEU 36 HD22 LEU 36 20.572 12.182 -3.943 250 HD23 LEU 36 HD23 LEU 36 18.878 12.326 -4.413 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.410 0.265 1.156 2 HA2 GLY 1 HA2 GLY 1 1.555 -0.281 -0.988 3 HA3 GLY 1 HA3 GLY 1 2.835 0.840 -1.429 4 H ALA 2 H ALA 2 3.522 -0.729 -2.990 5 HA ALA 2 HA ALA 2 5.227 -2.795 -1.782 6 HB1 ALA 2 HB1 ALA 2 3.432 -3.190 -4.172 7 HB2 ALA 2 HB2 ALA 2 4.641 -4.343 -3.609 8 HB3 ALA 2 HB3 ALA 2 3.260 -3.946 -2.588 9 H CYS 3 H CYS 3 7.164 -1.842 -2.144 10 HA CYS 3 HA CYS 3 8.074 -1.687 -4.885 11 HB2 CYS 3 HB2 CYS 3 8.992 0.639 -4.547 12 HB3 CYS 3 HB3 CYS 3 7.241 0.545 -4.705 13 H LEU 4 H LEU 4 10.482 -0.609 -4.685 14 HA LEU 4 HA LEU 4 11.805 -2.189 -2.582 15 HB2 LEU 4 HB2 LEU 4 12.865 -1.348 -5.276 16 HB3 LEU 4 HB3 LEU 4 13.739 -2.299 -4.077 17 HG LEU 4 HG LEU 4 11.205 -3.211 -5.432 18 HD11 LEU 4 HD11 LEU 4 14.032 -4.040 -6.055 19 HD12 LEU 4 HD12 LEU 4 13.105 -2.884 -7.011 20 HD13 LEU 4 HD13 LEU 4 12.556 -4.554 -6.873 21 HD21 LEU 4 HD21 LEU 4 11.352 -4.460 -3.504 22 HD22 LEU 4 HD22 LEU 4 13.115 -4.412 -3.478 23 HD23 LEU 4 HD23 LEU 4 12.277 -5.451 -4.631 24 H GLY 5 H GLY 5 12.764 -1.065 -1.028 25 HA2 GLY 5 HA2 GLY 5 13.035 1.772 -1.161 26 HA3 GLY 5 HA3 GLY 5 13.604 0.734 0.138 27 H PHE 6 H PHE 6 15.274 2.620 -0.183 28 HA PHE 6 HA PHE 6 17.129 2.414 -2.311 29 HB2 PHE 6 HB2 PHE 6 16.893 4.452 -0.959 30 HB3 PHE 6 HB3 PHE 6 17.498 3.591 0.452 31 HD1 PHE 6 HD2 PHE 6 18.420 4.775 -2.929 32 HD2 PHE 6 HD1 PHE 6 19.798 3.387 0.852 33 HE1 PHE 6 HE2 PHE 6 20.720 5.394 -3.544 34 HE2 PHE 6 HE1 PHE 6 22.100 4.005 0.243 35 HZ PHE 6 HZ PHE 6 22.564 5.010 -1.957 36 H GLY 7 H GLY 7 18.904 1.184 -2.581 37 HA2 GLY 7 HA2 GLY 7 20.712 -0.167 -1.958 38 HA3 GLY 7 HA3 GLY 7 20.072 -0.232 -0.323 39 H LYS 8 H LYS 8 17.796 -0.867 -2.783 40 HA LYS 8 HA LYS 8 17.819 -3.706 -2.054 41 HB2 LYS 8 HB2 LYS 8 15.683 -2.044 -3.403 42 HB3 LYS 8 HB3 LYS 8 15.529 -3.746 -2.987 43 HG2 LYS 8 HG2 LYS 8 15.993 -1.539 -0.994 44 HG3 LYS 8 HG3 LYS 8 14.416 -2.227 -1.388 45 HD2 LYS 8 HD2 LYS 8 15.452 -4.484 -0.768 46 HD3 LYS 8 HD3 LYS 8 16.755 -3.544 -0.036 47 HE2 LYS 8 HE2 LYS 8 13.983 -2.780 0.670 48 HE3 LYS 8 HE3 LYS 8 14.573 -4.313 1.309 49 HZ1 LYS 8 HZ1 LYS 8 15.029 -1.830 2.363 50 HZ2 LYS 8 HZ2 LYS 8 16.493 -2.227 1.614 51 HZ3 LYS 8 HZ3 LYS 8 15.833 -3.258 2.782 52 H SER 9 H SER 9 17.463 -5.318 -3.707 53 HA SER 9 HA SER 9 18.974 -4.712 -6.110 54 HB2 SER 9 HB2 SER 9 17.929 -7.276 -4.909 55 HB3 SER 9 HB3 SER 9 18.680 -7.220 -6.504 56 HG SER 9 HG SER 9 20.369 -7.592 -5.224 57 H CYS 10 H CYS 10 17.866 -3.775 -7.706 58 HA CYS 10 HA CYS 10 15.210 -4.862 -8.378 59 HB2 CYS 10 HB2 CYS 10 14.767 -2.639 -9.432 60 HB3 CYS 10 HB3 CYS 10 15.000 -2.563 -7.688 61 H ASN 11 H ASN 11 14.692 -4.268 -10.801 62 HA ASN 11 HA ASN 11 16.965 -5.257 -12.388 63 HB2 ASN 11 HB2 ASN 11 14.791 -6.620 -12.199 64 HB3 ASN 11 HB3 ASN 11 14.077 -5.387 -13.234 65 HD21 ASN 11 HD21 ASN 11 14.222 -5.671 -15.341 66 HD22 ASN 11 HD22 ASN 11 15.308 -6.749 -16.144 67 HA PRO 12 HA PRO 12 17.068 -1.382 -14.499 68 HB2 PRO 12 HB2 PRO 12 18.496 -2.171 -16.669 69 HB3 PRO 12 HB3 PRO 12 19.222 -1.936 -15.075 70 HG2 PRO 12 HG2 PRO 12 18.353 -4.473 -16.406 71 HG3 PRO 12 HG3 PRO 12 19.826 -4.146 -15.475 72 HD2 PRO 12 HD2 PRO 12 17.691 -5.433 -14.419 73 HD3 PRO 12 HD3 PRO 12 18.751 -4.389 -13.451 74 H SER 13 H SER 13 16.245 -4.297 -16.362 75 HA SER 13 HA SER 13 15.035 -2.950 -18.525 76 HB2 SER 13 HB2 SER 13 15.789 -5.453 -18.256 77 HB3 SER 13 HB3 SER 13 14.135 -5.685 -17.691 78 HG SER 13 HG SER 13 13.668 -5.778 -19.733 79 H ASN 14 H ASN 14 13.931 -3.731 -15.349 80 HA ASN 14 HA ASN 14 11.369 -2.453 -15.947 81 HB2 ASN 14 HB2 ASN 14 11.313 -5.082 -15.932 82 HB3 ASN 14 HB3 ASN 14 11.352 -4.874 -14.184 83 HD21 ASN 14 HD21 ASN 14 9.279 -5.794 -14.054 84 HD22 ASN 14 HD22 ASN 14 7.868 -4.886 -14.466 85 H ASP 15 H ASP 15 12.824 -0.811 -14.831 86 HA ASP 15 HA ASP 15 13.637 -0.935 -12.205 87 HB2 ASP 15 HB2 ASP 15 13.384 1.528 -12.160 88 HB3 ASP 15 HB3 ASP 15 14.169 0.961 -13.632 89 H GLN 16 H GLN 16 12.552 -1.469 -10.438 90 HA GLN 16 HA GLN 16 9.842 -0.403 -10.068 91 HB2 GLN 16 HB2 GLN 16 10.695 -3.240 -9.468 92 HB3 GLN 16 HB3 GLN 16 9.130 -2.542 -9.074 93 HG2 GLN 16 HG2 GLN 16 9.489 -2.079 -11.805 94 HG3 GLN 16 HG3 GLN 16 10.038 -3.730 -11.523 95 HE21 GLN 16 HE21 GLN 16 8.578 -5.295 -11.087 96 HE22 GLN 16 HE22 GLN 16 6.870 -5.043 -11.041 97 H CYS 17 H CYS 17 11.067 1.168 -8.792 98 HA CYS 17 HA CYS 17 11.818 0.106 -6.146 99 HB2 CYS 17 HB2 CYS 17 12.847 2.522 -7.640 100 HB3 CYS 17 HB3 CYS 17 13.177 2.227 -5.936 101 H CYS 18 H CYS 18 11.804 2.264 -4.592 102 HA CYS 18 HA CYS 18 8.979 2.916 -4.436 103 HB2 CYS 18 HB2 CYS 18 11.295 3.421 -2.560 104 HB3 CYS 18 HB3 CYS 18 9.646 3.948 -2.237 105 H LYS 19 H LYS 19 8.498 4.466 -5.918 106 HA LYS 19 HA LYS 19 10.119 6.644 -6.621 107 HB2 LYS 19 HB2 LYS 19 7.100 6.552 -6.716 108 HB3 LYS 19 HB3 LYS 19 8.159 7.567 -7.687 109 HG2 LYS 19 HG2 LYS 19 8.010 4.561 -7.813 110 HG3 LYS 19 HG3 LYS 19 7.281 5.683 -8.965 111 HD2 LYS 19 HD2 LYS 19 9.210 5.315 -10.091 112 HD3 LYS 19 HD3 LYS 19 9.813 6.575 -9.011 113 HE2 LYS 19 HE2 LYS 19 11.015 5.105 -7.746 114 HE3 LYS 19 HE3 LYS 19 9.903 3.770 -8.044 115 HZ1 LYS 19 HZ1 LYS 19 10.858 4.082 -10.474 116 HZ2 LYS 19 HZ2 LYS 19 11.623 3.100 -9.329 117 HZ3 LYS 19 HZ3 LYS 19 12.192 4.667 -9.614 118 H SER 20 H SER 20 7.829 6.192 -4.018 119 HA SER 20 HA SER 20 7.351 8.818 -3.264 120 HB2 SER 20 HB2 SER 20 6.846 7.941 -1.043 121 HB3 SER 20 HB3 SER 20 6.214 6.851 -2.276 122 HG SER 20 HG SER 20 7.305 5.397 -1.222 123 H SER 21 H SER 21 10.123 6.756 -2.610 124 HA SER 21 HA SER 21 11.376 8.865 -1.017 125 HB2 SER 21 HB2 SER 21 12.047 5.965 -1.499 126 HB3 SER 21 HB3 SER 21 13.188 7.067 -0.729 127 HG SER 21 HG SER 21 10.533 6.678 0.184 128 H SER 22 H SER 22 10.961 8.820 -4.032 129 HA SER 22 HA SER 22 12.083 9.406 -5.926 130 HB2 SER 22 HB2 SER 22 13.688 10.668 -3.731 131 HB3 SER 22 HB3 SER 22 14.269 10.764 -5.394 132 HG SER 22 HG SER 22 12.633 12.037 -5.914 133 H LEU 23 H LEU 23 12.417 6.850 -5.660 134 HA LEU 23 HA LEU 23 15.304 6.313 -5.865 135 HB2 LEU 23 HB2 LEU 23 13.007 4.468 -5.235 136 HB3 LEU 23 HB3 LEU 23 14.665 3.932 -5.497 137 HG LEU 23 HG LEU 23 13.691 5.700 -3.254 138 HD11 LEU 23 HD11 LEU 23 13.959 3.871 -1.831 139 HD12 LEU 23 HD12 LEU 23 14.890 2.962 -3.021 140 HD13 LEU 23 HD13 LEU 23 13.157 3.196 -3.249 141 HD21 LEU 23 HD21 LEU 23 15.971 5.505 -2.387 142 HD22 LEU 23 HD22 LEU 23 15.940 6.321 -3.951 143 HD23 LEU 23 HD23 LEU 23 16.451 4.635 -3.845 144 H ALA 24 H ALA 24 15.924 4.633 -7.454 145 HA ALA 24 HA ALA 24 14.157 4.011 -9.615 146 HB1 ALA 24 HB1 ALA 24 14.420 6.036 -10.604 147 HB2 ALA 24 HB2 ALA 24 15.985 6.331 -9.843 148 HB3 ALA 24 HB3 ALA 24 15.869 5.252 -11.234 149 H CYS 25 H CYS 25 15.066 2.542 -11.110 150 HA CYS 25 HA CYS 25 17.433 1.176 -10.076 151 HB2 CYS 25 HB2 CYS 25 15.124 0.083 -10.713 152 HB3 CYS 25 HB3 CYS 25 15.789 0.121 -12.343 153 H SER 26 H SER 26 19.331 1.702 -10.916 154 HA SER 26 HA SER 26 19.466 2.763 -13.638 155 HB2 SER 26 HB2 SER 26 20.691 3.595 -11.348 156 HB3 SER 26 HB3 SER 26 21.954 2.593 -12.062 157 HG SER 26 HG SER 26 21.936 3.867 -13.871 158 H THR 27 H THR 27 20.593 1.810 -15.276 159 HA THR 27 HA THR 27 21.067 -1.014 -15.053 160 HB THR 27 HB THR 27 21.966 0.505 -17.456 161 HG1 THR 27 HG1 THR 27 19.927 0.973 -18.077 162 HG21 THR 27 HG21 THR 27 20.241 -1.621 -18.085 163 HG22 THR 27 HG22 THR 27 21.250 -2.189 -16.755 164 HG23 THR 27 HG23 THR 27 21.997 -1.583 -18.233 165 H LYS 28 H LYS 28 22.878 1.546 -14.134 166 HA LYS 28 HA LYS 28 25.448 0.504 -15.036 167 HB2 LYS 28 HB2 LYS 28 24.771 3.010 -14.877 168 HB3 LYS 28 HB3 LYS 28 25.102 2.824 -13.160 169 HG2 LYS 28 HG2 LYS 28 27.183 1.882 -15.040 170 HG3 LYS 28 HG3 LYS 28 26.940 3.625 -14.905 171 HD2 LYS 28 HD2 LYS 28 26.935 2.566 -12.282 172 HD3 LYS 28 HD3 LYS 28 28.314 1.862 -13.129 173 HE2 LYS 28 HE2 LYS 28 27.922 4.742 -13.562 174 HE3 LYS 28 HE3 LYS 28 28.324 4.287 -11.907 175 HZ1 LYS 28 HZ1 LYS 28 29.930 4.061 -14.340 176 HZ2 LYS 28 HZ2 LYS 28 30.130 2.868 -13.158 177 HZ3 LYS 28 HZ3 LYS 28 30.399 4.493 -12.772 178 H HIS 29 H HIS 29 23.792 1.218 -11.967 179 HA HIS 29 HA HIS 29 25.747 -0.464 -10.568 180 HB2 HIS 29 HB2 HIS 29 23.733 1.549 -9.557 181 HB3 HIS 29 HB3 HIS 29 24.690 0.518 -8.497 182 HD1 HIS 29 HD1 HIS 29 27.348 0.832 -10.260 183 HD2 HIS 29 HD2 HIS 29 24.981 3.895 -8.751 184 HE1 HIS 29 HE1 HIS 29 28.854 2.842 -10.126 185 H LYS 30 H LYS 30 22.499 -0.397 -11.662 186 HA LYS 30 HA LYS 30 20.778 -1.878 -11.528 187 HB2 LYS 30 HB2 LYS 30 23.163 -3.571 -10.929 188 HB3 LYS 30 HB3 LYS 30 21.564 -4.261 -10.685 189 HG2 LYS 30 HG2 LYS 30 21.160 -3.345 -13.117 190 HG3 LYS 30 HG3 LYS 30 22.920 -3.448 -13.202 191 HD2 LYS 30 HD2 LYS 30 21.132 -5.724 -12.357 192 HD3 LYS 30 HD3 LYS 30 21.725 -5.491 -14.004 193 HE2 LYS 30 HE2 LYS 30 24.053 -5.518 -13.051 194 HE3 LYS 30 HE3 LYS 30 23.342 -6.015 -11.517 195 HZ1 LYS 30 HZ1 LYS 30 22.695 -7.540 -13.939 196 HZ2 LYS 30 HZ2 LYS 30 22.782 -8.061 -12.333 197 HZ3 LYS 30 HZ3 LYS 30 24.202 -7.778 -13.207 198 H TRP 31 H TRP 31 20.391 -0.267 -9.624 199 HA TRP 31 HA TRP 31 19.221 -1.740 -7.522 200 HB2 TRP 31 HB2 TRP 31 20.587 -1.231 -5.663 201 HB3 TRP 31 HB3 TRP 31 21.701 -1.796 -6.905 202 HD1 TRP 31 HD1 TRP 31 21.949 0.948 -8.542 203 HE1 TRP 31 HE1 TRP 31 23.278 2.897 -7.513 204 HE3 TRP 31 HE3 TRP 31 21.768 -0.451 -3.628 205 HZ2 TRP 31 HZ2 TRP 31 24.137 3.731 -4.956 206 HZ3 TRP 31 HZ3 TRP 31 22.869 0.977 -1.954 207 HH2 TRP 31 HH2 TRP 31 24.029 3.024 -2.606 208 H CYS 32 H CYS 32 18.187 -0.330 -5.900 209 HA CYS 32 HA CYS 32 17.015 1.938 -7.141 210 HB2 CYS 32 HB2 CYS 32 16.898 1.025 -4.259 211 HB3 CYS 32 HB3 CYS 32 15.855 2.246 -4.980 212 H LYS 33 H LYS 33 18.498 3.515 -7.600 213 HA LYS 33 HA LYS 33 20.079 4.605 -5.381 214 HB2 LYS 33 HB2 LYS 33 21.253 5.875 -7.222 215 HB3 LYS 33 HB3 LYS 33 21.444 4.128 -7.268 216 HG2 LYS 33 HG2 LYS 33 20.279 3.909 -9.196 217 HG3 LYS 33 HG3 LYS 33 19.212 5.269 -8.837 218 HD2 LYS 33 HD2 LYS 33 20.628 5.842 -10.703 219 HD3 LYS 33 HD3 LYS 33 21.094 6.812 -9.304 220 HE2 LYS 33 HE2 LYS 33 22.960 5.317 -8.865 221 HE3 LYS 33 HE3 LYS 33 22.473 4.286 -10.211 222 HZ1 LYS 33 HZ1 LYS 33 23.663 5.550 -11.559 223 HZ2 LYS 33 HZ2 LYS 33 24.125 6.542 -10.270 224 HZ3 LYS 33 HZ3 LYS 33 22.733 6.906 -11.159 225 H TYR 34 H TYR 34 19.941 6.742 -4.762 226 HA TYR 34 HA TYR 34 17.451 7.997 -4.925 227 HB2 TYR 34 HB2 TYR 34 20.173 8.897 -4.048 228 HB3 TYR 34 HB3 TYR 34 18.854 10.059 -4.140 229 HD1 TYR 34 HD1 TYR 34 16.550 8.687 -3.151 230 HD2 TYR 34 HD2 TYR 34 20.586 8.371 -1.840 231 HE1 TYR 34 HE1 TYR 34 15.767 7.978 -0.930 232 HE2 TYR 34 HE2 TYR 34 19.814 7.660 0.384 233 HH TYR 34 HH TYR 34 16.583 6.759 1.008 234 H GLU 35 H GLU 35 16.520 9.166 -6.462 235 HA GLU 35 HA GLU 35 17.945 9.823 -8.867 236 HB2 GLU 35 HB2 GLU 35 15.116 10.023 -7.936 237 HB3 GLU 35 HB3 GLU 35 15.615 10.998 -9.311 238 HG2 GLU 35 HG2 GLU 35 16.592 8.678 -10.129 239 HG3 GLU 35 HG3 GLU 35 15.325 8.060 -9.070 240 H LEU 36 H LEU 36 19.351 11.467 -8.764 241 HA LEU 36 HA LEU 36 18.364 14.036 -7.716 242 HB2 LEU 36 HB2 LEU 36 21.235 13.150 -7.599 243 HB3 LEU 36 HB3 LEU 36 20.502 14.554 -6.826 244 HG LEU 36 HG LEU 36 19.825 11.715 -6.080 245 HD11 LEU 36 HD11 LEU 36 22.293 12.697 -5.754 246 HD12 LEU 36 HD12 LEU 36 21.522 11.620 -4.591 247 HD13 LEU 36 HD13 LEU 36 21.524 13.361 -4.312 248 HD21 LEU 36 HD21 LEU 36 18.248 12.681 -4.855 249 HD22 LEU 36 HD22 LEU 36 18.765 14.280 -5.392 250 HD23 LEU 36 HD23 LEU 36 19.501 13.548 -3.965 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.305 -0.537 -1.019 2 HA2 GLY 1 HA2 GLY 1 2.273 0.538 -1.644 3 HA3 GLY 1 HA3 GLY 1 2.769 0.553 0.041 4 H ALA 2 H ALA 2 3.665 -0.553 -2.849 5 HA ALA 2 HA ALA 2 5.247 -2.696 -1.675 6 HB1 ALA 2 HB1 ALA 2 3.209 -3.105 -3.820 7 HB2 ALA 2 HB2 ALA 2 4.670 -4.093 -3.793 8 HB3 ALA 2 HB3 ALA 2 3.573 -4.102 -2.412 9 H CYS 3 H CYS 3 7.213 -1.887 -2.084 10 HA CYS 3 HA CYS 3 8.083 -1.655 -4.821 11 HB2 CYS 3 HB2 CYS 3 9.004 0.656 -4.498 12 HB3 CYS 3 HB3 CYS 3 7.247 0.582 -4.575 13 H LEU 4 H LEU 4 10.500 -0.589 -4.628 14 HA LEU 4 HA LEU 4 11.833 -2.189 -2.545 15 HB2 LEU 4 HB2 LEU 4 12.877 -1.378 -5.254 16 HB3 LEU 4 HB3 LEU 4 13.737 -2.352 -4.064 17 HG LEU 4 HG LEU 4 11.163 -3.203 -5.381 18 HD11 LEU 4 HD11 LEU 4 12.401 -4.478 -6.921 19 HD12 LEU 4 HD12 LEU 4 13.918 -4.181 -6.074 20 HD13 LEU 4 HD13 LEU 4 13.127 -2.871 -6.951 21 HD21 LEU 4 HD21 LEU 4 11.332 -4.474 -3.471 22 HD22 LEU 4 HD22 LEU 4 13.095 -4.450 -3.478 23 HD23 LEU 4 HD23 LEU 4 12.222 -5.468 -4.624 24 H GLY 5 H GLY 5 12.686 -1.001 -0.977 25 HA2 GLY 5 HA2 GLY 5 13.059 1.810 -1.180 26 HA3 GLY 5 HA3 GLY 5 13.584 0.790 0.151 27 H PHE 6 H PHE 6 15.300 2.634 -0.193 28 HA PHE 6 HA PHE 6 17.180 2.346 -2.284 29 HB2 PHE 6 HB2 PHE 6 16.982 4.407 -0.965 30 HB3 PHE 6 HB3 PHE 6 17.539 3.550 0.469 31 HD1 PHE 6 HD2 PHE 6 18.538 4.759 -2.869 32 HD2 PHE 6 HD1 PHE 6 19.837 3.193 0.869 33 HE1 PHE 6 HE2 PHE 6 20.864 5.306 -3.453 34 HE2 PHE 6 HE1 PHE 6 22.166 3.739 0.292 35 HZ PHE 6 HZ PHE 6 22.682 4.796 -1.872 36 H GLY 7 H GLY 7 18.921 1.064 -2.518 37 HA2 GLY 7 HA2 GLY 7 20.693 -0.316 -1.844 38 HA3 GLY 7 HA3 GLY 7 20.014 -0.359 -0.223 39 H LYS 8 H LYS 8 17.800 -0.956 -2.756 40 HA LYS 8 HA LYS 8 17.760 -3.799 -2.026 41 HB2 LYS 8 HB2 LYS 8 15.645 -2.102 -3.366 42 HB3 LYS 8 HB3 LYS 8 15.468 -3.800 -2.943 43 HG2 LYS 8 HG2 LYS 8 15.980 -1.600 -0.953 44 HG3 LYS 8 HG3 LYS 8 14.385 -2.245 -1.348 45 HD2 LYS 8 HD2 LYS 8 14.834 -3.571 0.438 46 HD3 LYS 8 HD3 LYS 8 15.642 -4.539 -0.798 47 HE2 LYS 8 HE2 LYS 8 17.712 -4.029 -0.032 48 HE3 LYS 8 HE3 LYS 8 17.249 -2.397 0.448 49 HZ1 LYS 8 HZ1 LYS 8 17.797 -4.104 2.261 50 HZ2 LYS 8 HZ2 LYS 8 16.261 -4.738 1.945 51 HZ3 LYS 8 HZ3 LYS 8 16.423 -3.136 2.463 52 H SER 9 H SER 9 17.505 -5.407 -3.652 53 HA SER 9 HA SER 9 18.971 -4.783 -6.068 54 HB2 SER 9 HB2 SER 9 17.944 -7.342 -4.850 55 HB3 SER 9 HB3 SER 9 18.638 -7.300 -6.471 56 HG SER 9 HG SER 9 20.360 -7.686 -5.229 57 H CYS 10 H CYS 10 17.870 -3.846 -7.666 58 HA CYS 10 HA CYS 10 15.207 -4.916 -8.335 59 HB2 CYS 10 HB2 CYS 10 14.784 -2.688 -9.396 60 HB3 CYS 10 HB3 CYS 10 15.004 -2.618 -7.650 61 H ASN 11 H ASN 11 14.691 -4.319 -10.759 62 HA ASN 11 HA ASN 11 16.950 -5.337 -12.345 63 HB2 ASN 11 HB2 ASN 11 14.685 -6.609 -12.143 64 HB3 ASN 11 HB3 ASN 11 14.094 -5.394 -13.273 65 HD21 ASN 11 HD21 ASN 11 14.208 -5.936 -15.318 66 HD22 ASN 11 HD22 ASN 11 15.330 -7.047 -16.020 67 HA PRO 12 HA PRO 12 17.139 -1.459 -14.443 68 HB2 PRO 12 HB2 PRO 12 18.554 -2.271 -16.613 69 HB3 PRO 12 HB3 PRO 12 19.282 -2.057 -15.017 70 HG2 PRO 12 HG2 PRO 12 18.362 -4.570 -16.358 71 HG3 PRO 12 HG3 PRO 12 19.840 -4.277 -15.423 72 HD2 PRO 12 HD2 PRO 12 17.676 -5.522 -14.375 73 HD3 PRO 12 HD3 PRO 12 18.756 -4.504 -13.401 74 H SER 13 H SER 13 16.257 -4.351 -16.316 75 HA SER 13 HA SER 13 15.060 -2.944 -18.461 76 HB2 SER 13 HB2 SER 13 15.841 -5.420 -18.334 77 HB3 SER 13 HB3 SER 13 14.238 -5.724 -17.664 78 HG SER 13 HG SER 13 14.959 -4.829 -20.228 79 H ASN 14 H ASN 14 13.965 -3.824 -15.307 80 HA ASN 14 HA ASN 14 11.377 -2.579 -15.886 81 HB2 ASN 14 HB2 ASN 14 11.399 -5.216 -15.840 82 HB3 ASN 14 HB3 ASN 14 11.421 -4.976 -14.096 83 HD21 ASN 14 HD21 ASN 14 9.750 -3.574 -16.899 84 HD22 ASN 14 HD22 ASN 14 8.172 -3.631 -16.198 85 H ASP 15 H ASP 15 12.862 -0.918 -14.793 86 HA ASP 15 HA ASP 15 13.659 -1.015 -12.159 87 HB2 ASP 15 HB2 ASP 15 13.465 1.436 -12.147 88 HB3 ASP 15 HB3 ASP 15 14.189 0.857 -13.645 89 H GLN 16 H GLN 16 12.568 -1.495 -10.382 90 HA GLN 16 HA GLN 16 9.865 -0.407 -10.039 91 HB2 GLN 16 HB2 GLN 16 10.669 -3.252 -9.409 92 HB3 GLN 16 HB3 GLN 16 9.107 -2.526 -9.052 93 HG2 GLN 16 HG2 GLN 16 9.509 -2.093 -11.776 94 HG3 GLN 16 HG3 GLN 16 10.055 -3.742 -11.479 95 HE21 GLN 16 HE21 GLN 16 8.523 -5.045 -10.081 96 HE22 GLN 16 HE22 GLN 16 6.840 -4.894 -10.439 97 H CYS 17 H CYS 17 11.107 1.151 -8.763 98 HA CYS 17 HA CYS 17 11.830 0.089 -6.110 99 HB2 CYS 17 HB2 CYS 17 12.897 2.484 -7.610 100 HB3 CYS 17 HB3 CYS 17 13.212 2.198 -5.902 101 H CYS 18 H CYS 18 11.831 2.240 -4.556 102 HA CYS 18 HA CYS 18 9.018 2.908 -4.386 103 HB2 CYS 18 HB2 CYS 18 11.357 3.501 -2.565 104 HB3 CYS 18 HB3 CYS 18 9.699 3.986 -2.225 105 H LYS 19 H LYS 19 8.357 4.499 -5.692 106 HA LYS 19 HA LYS 19 9.986 6.642 -6.572 107 HB2 LYS 19 HB2 LYS 19 6.967 6.575 -6.533 108 HB3 LYS 19 HB3 LYS 19 7.999 7.524 -7.595 109 HG2 LYS 19 HG2 LYS 19 7.836 4.518 -7.583 110 HG3 LYS 19 HG3 LYS 19 7.001 5.580 -8.718 111 HD2 LYS 19 HD2 LYS 19 9.990 5.601 -8.358 112 HD3 LYS 19 HD3 LYS 19 9.174 4.561 -9.528 113 HE2 LYS 19 HE2 LYS 19 8.052 6.771 -10.310 114 HE3 LYS 19 HE3 LYS 19 9.395 7.544 -9.470 115 HZ1 LYS 19 HZ1 LYS 19 10.352 5.444 -11.098 116 HZ2 LYS 19 HZ2 LYS 19 10.721 7.093 -11.168 117 HZ3 LYS 19 HZ3 LYS 19 9.396 6.485 -12.028 118 H SER 20 H SER 20 7.741 6.254 -3.905 119 HA SER 20 HA SER 20 7.349 8.902 -3.175 120 HB2 SER 20 HB2 SER 20 7.558 6.429 -1.446 121 HB3 SER 20 HB3 SER 20 7.011 7.997 -0.853 122 HG SER 20 HG SER 20 5.158 7.086 -1.440 123 H SER 21 H SER 21 10.063 6.762 -2.530 124 HA SER 21 HA SER 21 11.395 8.834 -0.956 125 HB2 SER 21 HB2 SER 21 12.276 6.002 -1.570 126 HB3 SER 21 HB3 SER 21 13.059 7.109 -0.442 127 HG SER 21 HG SER 21 10.361 6.266 -0.212 128 H SER 22 H SER 22 10.933 8.780 -3.979 129 HA SER 22 HA SER 22 12.046 9.322 -5.893 130 HB2 SER 22 HB2 SER 22 13.579 10.674 -3.715 131 HB3 SER 22 HB3 SER 22 14.248 10.695 -5.347 132 HG SER 22 HG SER 22 11.597 11.488 -4.726 133 H LEU 23 H LEU 23 12.406 6.822 -5.749 134 HA LEU 23 HA LEU 23 15.303 6.300 -5.878 135 HB2 LEU 23 HB2 LEU 23 13.020 4.445 -5.234 136 HB3 LEU 23 HB3 LEU 23 14.675 3.907 -5.515 137 HG LEU 23 HG LEU 23 13.743 5.693 -3.268 138 HD11 LEU 23 HD11 LEU 23 13.191 3.168 -3.285 139 HD12 LEU 23 HD12 LEU 23 13.926 3.875 -1.846 140 HD13 LEU 23 HD13 LEU 23 14.915 2.956 -2.981 141 HD21 LEU 23 HD21 LEU 23 16.324 4.614 -2.838 142 HD22 LEU 23 HD22 LEU 23 15.858 6.306 -3.015 143 HD23 LEU 23 HD23 LEU 23 16.317 5.364 -4.434 144 H ALA 24 H ALA 24 15.934 4.591 -7.447 145 HA ALA 24 HA ALA 24 14.183 3.966 -9.621 146 HB1 ALA 24 HB1 ALA 24 14.726 6.339 -10.107 147 HB2 ALA 24 HB2 ALA 24 16.427 5.886 -10.224 148 HB3 ALA 24 HB3 ALA 24 15.258 5.221 -11.364 149 H CYS 25 H CYS 25 15.102 2.490 -11.106 150 HA CYS 25 HA CYS 25 17.461 1.125 -10.045 151 HB2 CYS 25 HB2 CYS 25 15.154 0.021 -10.650 152 HB3 CYS 25 HB3 CYS 25 15.797 0.044 -12.289 153 H SER 26 H SER 26 19.356 1.645 -10.897 154 HA SER 26 HA SER 26 19.486 2.667 -13.632 155 HB2 SER 26 HB2 SER 26 20.758 3.457 -11.321 156 HB3 SER 26 HB3 SER 26 22.003 2.508 -12.133 157 HG SER 26 HG SER 26 20.524 4.598 -13.357 158 H THR 27 H THR 27 20.605 1.693 -15.265 159 HA THR 27 HA THR 27 21.055 -1.134 -15.020 160 HB THR 27 HB THR 27 21.873 0.481 -17.417 161 HG1 THR 27 HG1 THR 27 19.869 1.086 -17.665 162 HG21 THR 27 HG21 THR 27 21.038 -1.556 -18.589 163 HG22 THR 27 HG22 THR 27 20.753 -2.293 -17.012 164 HG23 THR 27 HG23 THR 27 22.392 -1.867 -17.504 165 H LYS 28 H LYS 28 22.891 1.422 -14.131 166 HA LYS 28 HA LYS 28 25.449 0.343 -15.024 167 HB2 LYS 28 HB2 LYS 28 25.173 2.755 -15.124 168 HB3 LYS 28 HB3 LYS 28 24.763 2.809 -13.415 169 HG2 LYS 28 HG2 LYS 28 27.034 3.545 -13.747 170 HG3 LYS 28 HG3 LYS 28 27.022 2.016 -12.865 171 HD2 LYS 28 HD2 LYS 28 28.342 1.117 -14.410 172 HD3 LYS 28 HD3 LYS 28 27.115 1.424 -15.640 173 HE2 LYS 28 HE2 LYS 28 28.940 2.566 -16.479 174 HE3 LYS 28 HE3 LYS 28 28.073 3.838 -15.620 175 HZ1 LYS 28 HZ1 LYS 28 30.700 3.004 -15.238 176 HZ2 LYS 28 HZ2 LYS 28 29.846 2.564 -13.846 177 HZ3 LYS 28 HZ3 LYS 28 29.847 4.175 -14.363 178 H HIS 29 H HIS 29 23.805 1.115 -11.963 179 HA HIS 29 HA HIS 29 25.747 -0.562 -10.543 180 HB2 HIS 29 HB2 HIS 29 23.692 1.383 -9.472 181 HB3 HIS 29 HB3 HIS 29 24.834 0.469 -8.491 182 HD1 HIS 29 HD1 HIS 29 27.338 0.945 -10.335 183 HD2 HIS 29 HD2 HIS 29 24.726 3.884 -8.994 184 HE1 HIS 29 HE1 HIS 29 28.643 3.093 -10.420 185 H LYS 30 H LYS 30 22.478 -0.462 -11.602 186 HA LYS 30 HA LYS 30 20.746 -1.926 -11.443 187 HB2 LYS 30 HB2 LYS 30 23.124 -3.645 -10.887 188 HB3 LYS 30 HB3 LYS 30 21.522 -4.319 -10.618 189 HG2 LYS 30 HG2 LYS 30 21.096 -3.379 -13.044 190 HG3 LYS 30 HG3 LYS 30 22.851 -3.532 -13.153 191 HD2 LYS 30 HD2 LYS 30 21.155 -5.794 -12.151 192 HD3 LYS 30 HD3 LYS 30 21.397 -5.531 -13.880 193 HE2 LYS 30 HE2 LYS 30 23.082 -7.034 -13.331 194 HE3 LYS 30 HE3 LYS 30 23.907 -5.477 -13.292 195 HZ1 LYS 30 HZ1 LYS 30 23.934 -5.469 -10.976 196 HZ2 LYS 30 HZ2 LYS 30 24.309 -7.070 -11.372 197 HZ3 LYS 30 HZ3 LYS 30 22.751 -6.672 -10.848 198 H TRP 31 H TRP 31 20.405 -0.316 -9.530 199 HA TRP 31 HA TRP 31 19.243 -1.771 -7.418 200 HB2 TRP 31 HB2 TRP 31 20.653 -1.350 -5.583 201 HB3 TRP 31 HB3 TRP 31 21.750 -1.873 -6.859 202 HD1 TRP 31 HD1 TRP 31 22.067 0.875 -8.414 203 HE1 TRP 31 HE1 TRP 31 23.381 2.804 -7.329 204 HE3 TRP 31 HE3 TRP 31 21.746 -0.574 -3.521 205 HZ2 TRP 31 HZ2 TRP 31 24.177 3.605 -4.743 206 HZ3 TRP 31 HZ3 TRP 31 22.811 0.830 -1.804 207 HH2 TRP 31 HH2 TRP 31 24.001 2.875 -2.404 208 H CYS 32 H CYS 32 18.123 -0.412 -5.898 209 HA CYS 32 HA CYS 32 17.058 1.920 -7.065 210 HB2 CYS 32 HB2 CYS 32 16.914 0.999 -4.186 211 HB3 CYS 32 HB3 CYS 32 15.882 2.220 -4.923 212 H LYS 33 H LYS 33 18.561 3.480 -7.498 213 HA LYS 33 HA LYS 33 20.156 4.510 -5.258 214 HB2 LYS 33 HB2 LYS 33 21.376 5.765 -7.082 215 HB3 LYS 33 HB3 LYS 33 21.535 4.014 -7.128 216 HG2 LYS 33 HG2 LYS 33 20.399 3.821 -9.074 217 HG3 LYS 33 HG3 LYS 33 19.340 5.189 -8.720 218 HD2 LYS 33 HD2 LYS 33 20.723 5.852 -10.531 219 HD3 LYS 33 HD3 LYS 33 21.337 6.683 -9.100 220 HE2 LYS 33 HE2 LYS 33 23.243 5.401 -9.008 221 HE3 LYS 33 HE3 LYS 33 22.494 4.038 -9.839 222 HZ1 LYS 33 HZ1 LYS 33 22.567 6.282 -11.549 223 HZ2 LYS 33 HZ2 LYS 33 23.292 4.768 -11.755 224 HZ3 LYS 33 HZ3 LYS 33 24.118 5.996 -10.936 225 H TYR 34 H TYR 34 20.060 6.644 -4.625 226 HA TYR 34 HA TYR 34 17.603 7.959 -4.811 227 HB2 TYR 34 HB2 TYR 34 20.336 8.797 -3.901 228 HB3 TYR 34 HB3 TYR 34 19.037 9.981 -3.990 229 HD1 TYR 34 HD1 TYR 34 16.704 8.627 -3.035 230 HD2 TYR 34 HD2 TYR 34 20.724 8.252 -1.693 231 HE1 TYR 34 HE1 TYR 34 15.893 7.908 -0.827 232 HE2 TYR 34 HE2 TYR 34 19.924 7.531 0.519 233 HH TYR 34 HH TYR 34 16.471 7.461 1.291 234 H GLU 35 H GLU 35 16.718 9.142 -6.363 235 HA GLU 35 HA GLU 35 18.284 9.882 -8.684 236 HB2 GLU 35 HB2 GLU 35 15.359 9.904 -8.017 237 HB3 GLU 35 HB3 GLU 35 15.956 10.786 -9.415 238 HG2 GLU 35 HG2 GLU 35 17.104 8.492 -9.969 239 HG3 GLU 35 HG3 GLU 35 15.829 7.857 -8.931 240 H LEU 36 H LEU 36 19.477 11.670 -8.512 241 HA LEU 36 HA LEU 36 18.167 14.104 -7.500 242 HB2 LEU 36 HB2 LEU 36 20.809 12.936 -6.810 243 HB3 LEU 36 HB3 LEU 36 20.689 14.691 -6.927 244 HG LEU 36 HG LEU 36 18.806 13.131 -5.190 245 HD11 LEU 36 HD11 LEU 36 20.593 14.017 -3.406 246 HD12 LEU 36 HD12 LEU 36 21.677 13.667 -4.751 247 HD13 LEU 36 HD13 LEU 36 20.643 12.396 -4.099 248 HD21 LEU 36 HD21 LEU 36 18.041 15.284 -5.277 249 HD22 LEU 36 HD22 LEU 36 19.648 15.965 -5.530 250 HD23 LEU 36 HD23 LEU 36 19.167 15.413 -3.925
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