NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
548371 | 2lj7 | 17923 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 -19.694 3.727 8.919 2 HA LYS 1 HA LYS 1 -22.433 4.777 9.200 3 HB2 LYS 1 HB2 LYS 1 -20.591 6.008 10.403 4 HB3 LYS 1 HB3 LYS 1 -19.907 6.391 8.829 5 HG2 LYS 1 HG2 LYS 1 -21.236 8.233 9.742 6 HG3 LYS 1 HG3 LYS 1 -21.898 7.624 8.223 7 HD2 LYS 1 HD2 LYS 1 -23.598 6.390 9.407 8 HD3 LYS 1 HD3 LYS 1 -22.884 6.827 10.961 9 HE2 LYS 1 HE2 LYS 1 -23.289 9.257 9.692 10 HE3 LYS 1 HE3 LYS 1 -24.717 8.312 9.271 11 HZ1 LYS 1 HZ1 LYS 1 -25.489 8.890 11.257 12 HZ2 LYS 1 HZ2 LYS 1 -23.992 9.482 11.774 13 HZ3 LYS 1 HZ3 LYS 1 -24.352 7.837 11.934 14 H THR 2 H THR 2 -23.161 6.223 7.462 15 HA THR 2 HA THR 2 -21.843 5.860 4.883 16 HB THR 2 HB THR 2 -24.151 5.325 3.876 17 HG1 THR 2 HG1 THR 2 -25.185 5.687 6.021 18 HG21 THR 2 HG21 THR 2 -22.492 3.660 3.739 19 HG22 THR 2 HG22 THR 2 -23.874 2.857 4.485 20 HG23 THR 2 HG23 THR 2 -22.514 3.377 5.479 21 H CYS 3 H CYS 3 -22.436 7.392 3.309 22 HA CYS 3 HA CYS 3 -24.071 9.630 4.310 23 HB2 CYS 3 HB2 CYS 3 -21.441 9.697 2.835 24 HB3 CYS 3 HB3 CYS 3 -22.514 11.092 2.906 25 H GLU 4 H GLU 4 -25.023 10.982 2.618 26 HA GLU 4 HA GLU 4 -25.563 9.440 0.165 27 HB2 GLU 4 HB2 GLU 4 -27.422 9.896 2.000 28 HB3 GLU 4 HB3 GLU 4 -27.524 11.447 1.177 29 HG2 GLU 4 HG2 GLU 4 -28.902 10.496 -0.266 30 HG3 GLU 4 HG3 GLU 4 -27.531 9.566 -0.867 31 H ASN 5 H ASN 5 -25.236 10.421 -1.739 32 HA ASN 5 HA ASN 5 -25.021 13.338 -1.837 33 HB2 ASN 5 HB2 ASN 5 -22.927 13.232 -3.103 34 HB3 ASN 5 HB3 ASN 5 -22.729 12.500 -1.513 35 HD21 ASN 5 HD21 ASN 5 -21.736 10.625 -1.464 36 HD22 ASN 5 HD22 ASN 5 -21.601 9.509 -2.776 37 H LEU 6 H LEU 6 -25.309 14.236 -3.930 38 HA LEU 6 HA LEU 6 -27.200 12.867 -5.526 39 HB2 LEU 6 HB2 LEU 6 -25.637 15.402 -5.914 40 HB3 LEU 6 HB3 LEU 6 -26.768 14.805 -7.127 41 HG LEU 6 HG LEU 6 -27.476 15.572 -4.295 42 HD11 LEU 6 HD11 LEU 6 -28.747 17.120 -6.338 43 HD12 LEU 6 HD12 LEU 6 -26.996 17.193 -6.537 44 HD13 LEU 6 HD13 LEU 6 -27.728 17.656 -5.001 45 HD21 LEU 6 HD21 LEU 6 -29.088 14.530 -6.606 46 HD22 LEU 6 HD22 LEU 6 -29.817 15.443 -5.285 47 HD23 LEU 6 HD23 LEU 6 -29.003 13.913 -4.956 48 H SER 7 H SER 7 -27.005 11.708 -7.361 49 HA SER 7 HA SER 7 -24.587 10.474 -8.017 50 HB2 SER 7 HB2 SER 7 -26.954 9.684 -8.555 51 HB3 SER 7 HB3 SER 7 -26.898 10.781 -9.935 52 HG SER 7 HG SER 7 -24.770 9.008 -9.585 53 H ASP 8 H ASP 8 -23.851 10.483 -10.462 54 HA ASP 8 HA ASP 8 -22.693 13.059 -10.906 55 HB2 ASP 8 HB2 ASP 8 -21.861 11.871 -13.056 56 HB3 ASP 8 HB3 ASP 8 -21.275 11.300 -11.496 57 H SER 9 H SER 9 -24.768 11.014 -12.970 58 HA SER 9 HA SER 9 -26.302 13.318 -13.796 59 HB2 SER 9 HB2 SER 9 -25.790 13.225 -16.132 60 HB3 SER 9 HB3 SER 9 -24.249 13.304 -15.278 61 HG SER 9 HG SER 9 -24.614 11.644 -17.043 62 H PHE 10 H PHE 10 -27.366 11.377 -12.415 63 HA PHE 10 HA PHE 10 -28.378 9.258 -14.108 64 HB2 PHE 10 HB2 PHE 10 -27.824 8.842 -11.728 65 HB3 PHE 10 HB3 PHE 10 -29.099 9.960 -11.254 66 HD1 PHE 10 HD1 PHE 10 -31.480 9.404 -11.881 67 HD2 PHE 10 HD2 PHE 10 -28.293 6.599 -12.180 68 HE1 PHE 10 HE1 PHE 10 -33.110 7.561 -11.917 69 HE2 PHE 10 HE2 PHE 10 -29.918 4.752 -12.218 70 HZ PHE 10 HZ PHE 10 -32.330 5.232 -12.087 71 H LYS 11 H LYS 11 -30.027 9.575 -15.434 72 HA LYS 11 HA LYS 11 -32.204 11.362 -14.575 73 HB2 LYS 11 HB2 LYS 11 -30.663 11.320 -17.112 74 HB3 LYS 11 HB3 LYS 11 -32.396 11.585 -17.245 75 HG2 LYS 11 HG2 LYS 11 -31.109 13.677 -17.141 76 HG3 LYS 11 HG3 LYS 11 -32.259 13.515 -15.811 77 HD2 LYS 11 HD2 LYS 11 -30.628 13.353 -14.245 78 HD3 LYS 11 HD3 LYS 11 -29.532 12.484 -15.322 79 HE2 LYS 11 HE2 LYS 11 -28.457 14.511 -15.093 80 HE3 LYS 11 HE3 LYS 11 -29.389 14.766 -16.567 81 HZ1 LYS 11 HZ1 LYS 11 -30.629 16.331 -15.598 82 HZ2 LYS 11 HZ2 LYS 11 -29.412 16.399 -14.426 83 HZ3 LYS 11 HZ3 LYS 11 -30.797 15.467 -14.153 84 H GLY 12 H GLY 12 -34.138 10.972 -16.264 85 HA2 GLY 12 HA2 GLY 12 -35.593 9.459 -17.281 86 HA3 GLY 12 HA3 GLY 12 -34.425 8.178 -16.991 87 HA PRO 13 HA PRO 13 -38.046 8.142 -13.900 88 HB2 PRO 13 HB2 PRO 13 -39.419 6.036 -14.926 89 HB3 PRO 13 HB3 PRO 13 -39.734 7.710 -15.398 90 HG2 PRO 13 HG2 PRO 13 -38.125 5.615 -16.807 91 HG3 PRO 13 HG3 PRO 13 -39.280 6.779 -17.481 92 HD2 PRO 13 HD2 PRO 13 -36.600 7.148 -17.604 93 HD3 PRO 13 HD3 PRO 13 -37.745 8.499 -17.471 94 H CYS 14 H CYS 14 -37.996 6.813 -12.143 95 HA CYS 14 HA CYS 14 -35.957 4.740 -12.130 96 HB2 CYS 14 HB2 CYS 14 -36.457 6.606 -10.313 97 HB3 CYS 14 HB3 CYS 14 -37.584 5.393 -9.714 98 H ILE 15 H ILE 15 -36.400 2.668 -11.020 99 HA ILE 15 HA ILE 15 -39.135 1.726 -11.589 100 HB ILE 15 HB ILE 15 -37.975 -0.561 -11.836 101 HG12 ILE 15 HG12 ILE 15 -35.591 0.950 -12.772 102 HG13 ILE 15 HG13 ILE 15 -35.758 0.715 -11.035 103 HG21 ILE 15 HG21 ILE 15 -39.035 0.642 -13.673 104 HG22 ILE 15 HG22 ILE 15 -37.561 1.576 -13.922 105 HG23 ILE 15 HG23 ILE 15 -37.562 -0.164 -14.212 106 HD11 ILE 15 HD11 ILE 15 -34.729 -1.224 -11.370 107 HD12 ILE 15 HD12 ILE 15 -36.259 -1.786 -12.044 108 HD13 ILE 15 HD13 ILE 15 -34.999 -1.166 -13.111 109 HA PRO 16 HA PRO 16 -39.523 0.303 -7.456 110 HB2 PRO 16 HB2 PRO 16 -40.914 -2.005 -7.783 111 HB3 PRO 16 HB3 PRO 16 -41.636 -0.407 -8.009 112 HG2 PRO 16 HG2 PRO 16 -40.597 -2.325 -10.060 113 HG3 PRO 16 HG3 PRO 16 -42.079 -1.351 -10.088 114 HD2 PRO 16 HD2 PRO 16 -39.841 -0.636 -11.433 115 HD3 PRO 16 HD3 PRO 16 -40.964 0.555 -10.747 116 H ASP 17 H ASP 17 -37.719 -1.438 -9.737 117 HA ASP 17 HA ASP 17 -36.914 -3.530 -7.878 118 HB2 ASP 17 HB2 ASP 17 -37.258 -3.691 -10.499 119 HB3 ASP 17 HB3 ASP 17 -35.585 -3.141 -10.523 120 H GLY 18 H GLY 18 -35.768 -0.502 -9.150 121 HA2 GLY 18 HA2 GLY 18 -34.172 0.737 -7.796 122 HA3 GLY 18 HA3 GLY 18 -33.358 -0.787 -7.469 123 H ASN 19 H ASN 19 -33.520 1.941 -9.489 124 HA ASN 19 HA ASN 19 -31.667 0.702 -11.413 125 HB2 ASN 19 HB2 ASN 19 -33.942 1.872 -12.093 126 HB3 ASN 19 HB3 ASN 19 -32.971 3.335 -11.955 127 HD21 ASN 19 HD21 ASN 19 -31.242 3.654 -13.366 128 HD22 ASN 19 HD22 ASN 19 -31.097 2.768 -14.842 129 H CYS 20 H CYS 20 -32.010 3.077 -8.963 130 HA CYS 20 HA CYS 20 -29.770 4.694 -9.766 131 HB2 CYS 20 HB2 CYS 20 -31.701 4.656 -7.516 132 HB3 CYS 20 HB3 CYS 20 -30.126 5.370 -7.181 133 H ASN 21 H ASN 21 -30.263 1.842 -7.875 134 HA ASN 21 HA ASN 21 -27.840 1.998 -6.370 135 HB2 ASN 21 HB2 ASN 21 -28.331 -0.545 -6.106 136 HB3 ASN 21 HB3 ASN 21 -29.432 0.618 -5.374 137 HD21 ASN 21 HD21 ASN 21 -30.743 -1.442 -5.498 138 HD22 ASN 21 HD22 ASN 21 -31.718 -1.648 -6.910 139 H LYS 22 H LYS 22 -28.790 -0.293 -8.938 140 HA LYS 22 HA LYS 22 -26.329 -1.394 -9.447 141 HB2 LYS 22 HB2 LYS 22 -27.175 -1.824 -11.760 142 HB3 LYS 22 HB3 LYS 22 -28.295 -2.293 -10.488 143 HG2 LYS 22 HG2 LYS 22 -29.488 -0.132 -10.843 144 HG3 LYS 22 HG3 LYS 22 -28.442 0.151 -12.236 145 HD2 LYS 22 HD2 LYS 22 -29.806 -2.468 -12.139 146 HD3 LYS 22 HD3 LYS 22 -30.840 -1.061 -12.395 147 HE2 LYS 22 HE2 LYS 22 -29.959 -0.616 -14.441 148 HE3 LYS 22 HE3 LYS 22 -28.358 -1.208 -14.001 149 HZ1 LYS 22 HZ1 LYS 22 -28.823 -3.228 -14.781 150 HZ2 LYS 22 HZ2 LYS 22 -30.141 -2.514 -15.564 151 HZ3 LYS 22 HZ3 LYS 22 -30.355 -3.271 -14.066 152 H HIS 23 H HIS 23 -27.566 1.714 -10.469 153 HA HIS 23 HA HIS 23 -25.629 2.289 -12.438 154 HB2 HIS 23 HB2 HIS 23 -27.881 3.508 -11.739 155 HB3 HIS 23 HB3 HIS 23 -26.776 4.489 -10.780 156 HD1 HIS 23 HD1 HIS 23 -25.320 6.166 -12.014 157 HD2 HIS 23 HD2 HIS 23 -27.539 3.739 -14.553 158 HE1 HIS 23 HE1 HIS 23 -25.080 7.187 -14.300 159 H CYS 24 H CYS 24 -25.857 3.786 -9.209 160 HA CYS 24 HA CYS 24 -23.201 4.718 -9.210 161 HB2 CYS 24 HB2 CYS 24 -25.366 4.454 -7.187 162 HB3 CYS 24 HB3 CYS 24 -23.726 4.680 -6.588 163 H LYS 25 H LYS 25 -24.481 1.615 -8.691 164 HA LYS 25 HA LYS 25 -22.283 0.689 -7.038 165 HB2 LYS 25 HB2 LYS 25 -24.716 -0.636 -8.215 166 HB3 LYS 25 HB3 LYS 25 -23.438 -1.573 -7.454 167 HG2 LYS 25 HG2 LYS 25 -23.772 -0.318 -5.374 168 HG3 LYS 25 HG3 LYS 25 -25.080 0.585 -6.142 169 HD2 LYS 25 HD2 LYS 25 -26.407 -1.014 -5.294 170 HD3 LYS 25 HD3 LYS 25 -25.816 -1.997 -6.636 171 HE2 LYS 25 HE2 LYS 25 -24.458 -3.245 -5.301 172 HE3 LYS 25 HE3 LYS 25 -24.163 -1.920 -4.176 173 HZ1 LYS 25 HZ1 LYS 25 -26.827 -2.471 -3.908 174 HZ2 LYS 25 HZ2 LYS 25 -25.599 -2.934 -2.841 175 HZ3 LYS 25 HZ3 LYS 25 -26.114 -3.999 -4.051 176 H GLU 26 H GLU 26 -23.164 0.814 -10.383 177 HA GLU 26 HA GLU 26 -21.049 -1.071 -11.115 178 HB2 GLU 26 HB2 GLU 26 -23.316 0.192 -12.635 179 HB3 GLU 26 HB3 GLU 26 -21.987 -0.597 -13.472 180 HG2 GLU 26 HG2 GLU 26 -22.476 -2.671 -12.235 181 HG3 GLU 26 HG3 GLU 26 -23.856 -1.869 -11.486 182 H LYS 27 H LYS 27 -21.662 2.277 -10.866 183 HA LYS 27 HA LYS 27 -19.402 2.928 -12.627 184 HB2 LYS 27 HB2 LYS 27 -21.442 4.795 -11.407 185 HB3 LYS 27 HB3 LYS 27 -20.223 5.216 -12.602 186 HG2 LYS 27 HG2 LYS 27 -21.448 3.292 -13.961 187 HG3 LYS 27 HG3 LYS 27 -22.793 3.786 -12.931 188 HD2 LYS 27 HD2 LYS 27 -23.086 5.692 -14.063 189 HD3 LYS 27 HD3 LYS 27 -21.358 6.049 -14.066 190 HE2 LYS 27 HE2 LYS 27 -22.675 4.061 -15.909 191 HE3 LYS 27 HE3 LYS 27 -22.370 5.745 -16.334 192 HZ1 LYS 27 HZ1 LYS 27 -20.322 5.192 -16.907 193 HZ2 LYS 27 HZ2 LYS 27 -20.614 3.577 -16.501 194 HZ3 LYS 27 HZ3 LYS 27 -19.997 4.642 -15.341 195 H GLU 28 H GLU 28 -20.711 4.409 -9.662 196 HA GLU 28 HA GLU 28 -18.041 5.050 -8.770 197 HB2 GLU 28 HB2 GLU 28 -20.808 5.707 -7.895 198 HB3 GLU 28 HB3 GLU 28 -19.534 5.794 -6.686 199 HG2 GLU 28 HG2 GLU 28 -18.738 7.099 -9.130 200 HG3 GLU 28 HG3 GLU 28 -20.254 7.755 -8.516 201 H HIS 29 H HIS 29 -19.801 2.301 -8.675 202 HA HIS 29 HA HIS 29 -19.872 0.436 -7.359 203 HB2 HIS 29 HB2 HIS 29 -17.102 1.321 -6.536 204 HB3 HIS 29 HB3 HIS 29 -17.732 -0.323 -6.556 205 HD1 HIS 29 HD1 HIS 29 -18.162 -1.365 -8.971 206 HD2 HIS 29 HD2 HIS 29 -15.985 2.173 -8.890 207 HE1 HIS 29 HE1 HIS 29 -17.058 -1.204 -11.225 208 H LEU 30 H LEU 30 -21.197 2.483 -6.140 209 HA LEU 30 HA LEU 30 -20.271 2.734 -3.404 210 HB2 LEU 30 HB2 LEU 30 -22.820 3.694 -4.698 211 HB3 LEU 30 HB3 LEU 30 -22.256 4.122 -3.084 212 HG LEU 30 HG LEU 30 -21.058 4.936 -5.726 213 HD11 LEU 30 HD11 LEU 30 -21.466 7.123 -4.048 214 HD12 LEU 30 HD12 LEU 30 -22.912 6.129 -3.871 215 HD13 LEU 30 HD13 LEU 30 -22.409 6.677 -5.470 216 HD21 LEU 30 HD21 LEU 30 -19.884 4.822 -3.019 217 HD22 LEU 30 HD22 LEU 30 -19.637 6.319 -3.918 218 HD23 LEU 30 HD23 LEU 30 -19.104 4.782 -4.600 219 H LEU 31 H LEU 31 -22.461 2.638 -1.866 220 HA LEU 31 HA LEU 31 -22.913 -0.171 -1.588 221 HB2 LEU 31 HB2 LEU 31 -23.977 2.238 -0.136 222 HB3 LEU 31 HB3 LEU 31 -24.454 0.591 0.273 223 HG LEU 31 HG LEU 31 -21.653 1.706 0.424 224 HD11 LEU 31 HD11 LEU 31 -23.606 2.320 2.125 225 HD12 LEU 31 HD12 LEU 31 -21.943 2.052 2.646 226 HD13 LEU 31 HD13 LEU 31 -23.135 0.763 2.807 227 HD21 LEU 31 HD21 LEU 31 -20.968 -0.403 0.447 228 HD22 LEU 31 HD22 LEU 31 -22.628 -0.980 0.296 229 HD23 LEU 31 HD23 LEU 31 -21.941 -0.677 1.893 230 H SER 32 H SER 32 -25.073 2.590 -2.232 231 HA SER 32 HA SER 32 -26.656 1.072 -4.062 232 HB2 SER 32 HB2 SER 32 -28.754 1.090 -2.799 233 HB3 SER 32 HB3 SER 32 -27.525 0.170 -1.932 234 HG SER 32 HG SER 32 -27.937 1.459 -0.334 235 H GLY 33 H GLY 33 -28.887 2.432 -4.345 236 HA2 GLY 33 HA2 GLY 33 -28.422 5.288 -4.069 237 HA3 GLY 33 HA3 GLY 33 -28.408 4.678 -5.717 238 H ARG 34 H ARG 34 -30.233 6.592 -4.863 239 HA ARG 34 HA ARG 34 -32.724 5.149 -5.325 240 HB2 ARG 34 HB2 ARG 34 -32.580 7.213 -3.134 241 HB3 ARG 34 HB3 ARG 34 -33.902 6.114 -3.505 242 HG2 ARG 34 HG2 ARG 34 -32.234 4.246 -2.926 243 HG3 ARG 34 HG3 ARG 34 -31.289 5.530 -2.170 244 HD2 ARG 34 HD2 ARG 34 -33.831 5.987 -1.223 245 HD3 ARG 34 HD3 ARG 34 -33.739 4.227 -1.274 246 HE ARG 34 HE ARG 34 -32.336 5.982 0.510 247 HH11 ARG 34 HH11 ARG 34 -32.290 2.869 -1.049 248 HH12 ARG 34 HH12 ARG 34 -31.280 2.137 0.153 249 HH21 ARG 34 HH21 ARG 34 -31.006 5.029 2.099 250 HH22 ARG 34 HH22 ARG 34 -30.551 3.365 1.944 251 H CYS 35 H CYS 35 -34.220 6.297 -6.485 252 HA CYS 35 HA CYS 35 -33.279 8.826 -7.604 253 HB2 CYS 35 HB2 CYS 35 -35.736 7.362 -8.523 254 HB3 CYS 35 HB3 CYS 35 -34.668 8.418 -9.443 255 H ARG 36 H ARG 36 -34.894 10.549 -8.007 256 HA ARG 36 HA ARG 36 -37.012 10.641 -5.973 257 HB2 ARG 36 HB2 ARG 36 -34.931 12.767 -6.499 258 HB3 ARG 36 HB3 ARG 36 -36.398 13.047 -5.570 259 HG2 ARG 36 HG2 ARG 36 -35.172 10.753 -4.487 260 HG3 ARG 36 HG3 ARG 36 -33.907 11.962 -4.714 261 HD2 ARG 36 HD2 ARG 36 -34.668 12.536 -2.629 262 HD3 ARG 36 HD3 ARG 36 -35.684 13.564 -3.640 263 HE ARG 36 HE ARG 36 -37.074 11.205 -3.304 264 HH11 ARG 36 HH11 ARG 36 -35.806 13.725 -1.264 265 HH12 ARG 36 HH12 ARG 36 -37.027 13.536 -0.049 266 HH21 ARG 36 HH21 ARG 36 -38.687 10.946 -1.712 267 HH22 ARG 36 HH22 ARG 36 -38.664 11.954 -0.304 268 H ASP 37 H ASP 37 -38.452 12.627 -6.368 269 HA ASP 37 HA ASP 37 -39.347 12.493 -9.101 270 HB2 ASP 37 HB2 ASP 37 -40.870 12.564 -7.082 271 HB3 ASP 37 HB3 ASP 37 -40.431 14.260 -6.905 272 H ASP 38 H ASP 38 -37.134 14.385 -7.448 273 HA ASP 38 HA ASP 38 -37.582 16.800 -9.005 274 HB2 ASP 38 HB2 ASP 38 -35.653 17.693 -7.734 275 HB3 ASP 38 HB3 ASP 38 -36.919 17.069 -6.681 276 H PHE 39 H PHE 39 -36.706 14.130 -10.151 277 HA PHE 39 HA PHE 39 -35.360 13.383 -11.824 278 HB2 PHE 39 HB2 PHE 39 -35.303 16.334 -12.139 279 HB3 PHE 39 HB3 PHE 39 -34.063 15.425 -12.996 280 HD1 PHE 39 HD1 PHE 39 -37.714 15.804 -12.563 281 HD2 PHE 39 HD2 PHE 39 -34.564 14.247 -14.964 282 HE1 PHE 39 HE1 PHE 39 -39.330 15.296 -14.348 283 HE2 PHE 39 HE2 PHE 39 -36.174 13.738 -16.753 284 HZ PHE 39 HZ PHE 39 -38.560 14.263 -16.447 285 H ARG 40 H ARG 40 -34.315 14.022 -9.020 286 HA ARG 40 HA ARG 40 -31.447 13.912 -9.691 287 HB2 ARG 40 HB2 ARG 40 -32.619 14.846 -7.070 288 HB3 ARG 40 HB3 ARG 40 -30.943 14.958 -7.591 289 HG2 ARG 40 HG2 ARG 40 -32.624 16.279 -9.492 290 HG3 ARG 40 HG3 ARG 40 -32.971 16.875 -7.868 291 HD2 ARG 40 HD2 ARG 40 -30.310 16.887 -7.744 292 HD3 ARG 40 HD3 ARG 40 -30.495 17.080 -9.487 293 HE ARG 40 HE ARG 40 -30.940 19.059 -7.512 294 HH11 ARG 40 HH11 ARG 40 -32.180 17.877 -10.542 295 HH12 ARG 40 HH12 ARG 40 -32.833 19.409 -11.023 296 HH21 ARG 40 HH21 ARG 40 -31.794 21.081 -8.133 297 HH22 ARG 40 HH22 ARG 40 -32.611 21.231 -9.652 298 H CYS 41 H CYS 41 -30.186 12.347 -8.737 299 HA CYS 41 HA CYS 41 -31.631 10.309 -7.171 300 HB2 CYS 41 HB2 CYS 41 -31.133 9.404 -9.345 301 HB3 CYS 41 HB3 CYS 41 -29.465 9.957 -9.249 302 H TRP 42 H TRP 42 -30.657 9.479 -5.371 303 HA TRP 42 HA TRP 42 -28.113 10.738 -4.582 304 HB2 TRP 42 HB2 TRP 42 -30.504 9.908 -2.942 305 HB3 TRP 42 HB3 TRP 42 -28.934 10.237 -2.213 306 HD1 TRP 42 HD1 TRP 42 -31.582 12.066 -4.376 307 HE1 TRP 42 HE1 TRP 42 -31.500 14.568 -3.778 308 HE3 TRP 42 HE3 TRP 42 -27.645 11.994 -1.114 309 HZ2 TRP 42 HZ2 TRP 42 -29.970 16.284 -2.141 310 HZ3 TRP 42 HZ3 TRP 42 -26.935 14.108 -0.076 311 HH2 TRP 42 HH2 TRP 42 -28.074 16.208 -0.581 312 H CYS 43 H CYS 43 -26.439 9.475 -4.005 313 HA CYS 43 HA CYS 43 -26.901 6.566 -3.963 314 HB2 CYS 43 HB2 CYS 43 -24.298 7.967 -4.585 315 HB3 CYS 43 HB3 CYS 43 -24.678 6.263 -4.815 316 H THR 44 H THR 44 -26.193 5.371 -2.273 317 HA THR 44 HA THR 44 -25.176 6.848 0.041 318 HB THR 44 HB THR 44 -26.280 4.035 -0.106 319 HG1 THR 44 HG1 THR 44 -27.814 5.769 -0.486 320 HG21 THR 44 HG21 THR 44 -26.475 5.052 2.493 321 HG22 THR 44 HG22 THR 44 -24.846 5.460 1.953 322 HG23 THR 44 HG23 THR 44 -25.391 3.783 1.924 323 H ARG 45 H ARG 45 -23.166 6.609 0.793 324 HA ARG 45 HA ARG 45 -21.602 4.266 -0.022 325 HB2 ARG 45 HB2 ARG 45 -19.691 5.614 -0.614 326 HB3 ARG 45 HB3 ARG 45 -21.076 6.146 -1.557 327 HG2 ARG 45 HG2 ARG 45 -21.392 8.021 0.004 328 HG3 ARG 45 HG3 ARG 45 -19.956 7.500 0.888 329 HD2 ARG 45 HD2 ARG 45 -19.976 8.238 -2.034 330 HD3 ARG 45 HD3 ARG 45 -19.556 9.353 -0.735 331 HE ARG 45 HE ARG 45 -17.935 7.212 -1.785 332 HH11 ARG 45 HH11 ARG 45 -18.507 9.356 0.897 333 HH12 ARG 45 HH12 ARG 45 -16.890 9.235 1.508 334 HH21 ARG 45 HH21 ARG 45 -15.803 7.045 -0.992 335 HH22 ARG 45 HH22 ARG 45 -15.352 7.921 0.432 336 H ASN 46 H ASN 46 -19.549 4.085 1.258 337 HA ASN 46 HA ASN 46 -20.155 4.331 4.037 338 HB2 ASN 46 HB2 ASN 46 -17.498 3.586 2.805 339 HB3 ASN 46 HB3 ASN 46 -18.074 3.189 4.421 340 HD21 ASN 46 HD21 ASN 46 -18.256 2.443 1.047 341 HD22 ASN 46 HD22 ASN 46 -19.130 0.961 1.210 342 H CYS 47 H CYS 47 -19.451 5.774 5.514 343 HA CYS 47 HA CYS 47 -17.256 7.562 4.964 344 HB2 CYS 47 HB2 CYS 47 -18.430 9.603 4.924 345 HB3 CYS 47 HB3 CYS 47 -19.334 8.554 3.837 Start of MODEL 2 1 H1 LYS 1 H LYS 1 -20.119 3.745 9.249 2 HA LYS 1 HA LYS 1 -22.866 4.787 9.262 3 HB2 LYS 1 HB2 LYS 1 -21.085 5.984 10.577 4 HB3 LYS 1 HB3 LYS 1 -20.293 6.356 9.051 5 HG2 LYS 1 HG2 LYS 1 -21.637 8.225 9.878 6 HG3 LYS 1 HG3 LYS 1 -22.221 7.627 8.323 7 HD2 LYS 1 HD2 LYS 1 -24.014 6.433 9.403 8 HD3 LYS 1 HD3 LYS 1 -23.384 6.853 10.997 9 HE2 LYS 1 HE2 LYS 1 -24.108 8.998 9.040 10 HE3 LYS 1 HE3 LYS 1 -25.360 8.211 10.001 11 HZ1 LYS 1 HZ1 LYS 1 -23.561 10.240 10.771 12 HZ2 LYS 1 HZ2 LYS 1 -23.303 8.879 11.741 13 HZ3 LYS 1 HZ3 LYS 1 -24.843 9.573 11.650 14 H THR 2 H THR 2 -23.487 6.240 7.496 15 HA THR 2 HA THR 2 -22.026 5.892 4.994 16 HB THR 2 HB THR 2 -24.277 5.371 3.854 17 HG1 THR 2 HG1 THR 2 -24.896 4.305 6.414 18 HG21 THR 2 HG21 THR 2 -22.601 3.712 3.799 19 HG22 THR 2 HG22 THR 2 -24.031 2.900 4.436 20 HG23 THR 2 HG23 THR 2 -22.741 3.399 5.528 21 H CYS 3 H CYS 3 -22.533 7.435 3.397 22 HA CYS 3 HA CYS 3 -24.176 9.690 4.350 23 HB2 CYS 3 HB2 CYS 3 -21.520 9.691 2.927 24 HB3 CYS 3 HB3 CYS 3 -22.576 11.100 2.916 25 H GLU 4 H GLU 4 -25.080 11.051 2.633 26 HA GLU 4 HA GLU 4 -25.637 9.492 0.194 27 HB2 GLU 4 HB2 GLU 4 -27.499 10.017 2.008 28 HB3 GLU 4 HB3 GLU 4 -27.557 11.558 1.165 29 HG2 GLU 4 HG2 GLU 4 -28.951 10.620 -0.271 30 HG3 GLU 4 HG3 GLU 4 -27.594 9.660 -0.859 31 H ASN 5 H ASN 5 -25.271 10.440 -1.719 32 HA ASN 5 HA ASN 5 -25.005 13.348 -1.863 33 HB2 ASN 5 HB2 ASN 5 -22.880 13.204 -3.064 34 HB3 ASN 5 HB3 ASN 5 -22.730 12.484 -1.464 35 HD21 ASN 5 HD21 ASN 5 -21.562 10.720 -1.466 36 HD22 ASN 5 HD22 ASN 5 -21.483 9.544 -2.730 37 H LEU 6 H LEU 6 -25.224 14.207 -3.984 38 HA LEU 6 HA LEU 6 -27.092 12.829 -5.598 39 HB2 LEU 6 HB2 LEU 6 -25.485 15.335 -6.000 40 HB3 LEU 6 HB3 LEU 6 -26.594 14.727 -7.227 41 HG LEU 6 HG LEU 6 -27.356 15.570 -4.432 42 HD11 LEU 6 HD11 LEU 6 -26.850 17.106 -6.751 43 HD12 LEU 6 HD12 LEU 6 -27.516 17.638 -5.208 44 HD13 LEU 6 HD13 LEU 6 -28.595 17.091 -6.491 45 HD21 LEU 6 HD21 LEU 6 -28.939 14.495 -6.750 46 HD22 LEU 6 HD22 LEU 6 -29.678 15.430 -5.450 47 HD23 LEU 6 HD23 LEU 6 -28.878 13.899 -5.091 48 H SER 7 H SER 7 -26.857 11.588 -7.366 49 HA SER 7 HA SER 7 -24.432 10.336 -7.945 50 HB2 SER 7 HB2 SER 7 -26.929 9.717 -8.549 51 HB3 SER 7 HB3 SER 7 -26.536 10.533 -10.063 52 HG SER 7 HG SER 7 -25.255 8.937 -10.598 53 H ASP 8 H ASP 8 -23.776 10.265 -10.468 54 HA ASP 8 HA ASP 8 -22.476 12.762 -10.932 55 HB2 ASP 8 HB2 ASP 8 -21.821 11.562 -13.134 56 HB3 ASP 8 HB3 ASP 8 -21.213 10.919 -11.611 57 H SER 9 H SER 9 -24.700 10.905 -13.018 58 HA SER 9 HA SER 9 -26.180 13.291 -13.681 59 HB2 SER 9 HB2 SER 9 -25.700 13.341 -16.024 60 HB3 SER 9 HB3 SER 9 -24.147 13.327 -15.190 61 HG SER 9 HG SER 9 -24.817 11.723 -17.060 62 H PHE 10 H PHE 10 -27.257 11.272 -12.411 63 HA PHE 10 HA PHE 10 -28.343 9.296 -14.222 64 HB2 PHE 10 HB2 PHE 10 -27.800 8.635 -11.936 65 HB3 PHE 10 HB3 PHE 10 -28.913 9.843 -11.302 66 HD1 PHE 10 HD1 PHE 10 -31.354 9.566 -11.645 67 HD2 PHE 10 HD2 PHE 10 -28.561 6.522 -12.669 68 HE1 PHE 10 HE1 PHE 10 -33.178 7.916 -11.698 69 HE2 PHE 10 HE2 PHE 10 -30.381 4.867 -12.725 70 HZ PHE 10 HZ PHE 10 -32.693 5.563 -12.240 71 H LYS 11 H LYS 11 -30.044 9.664 -15.464 72 HA LYS 11 HA LYS 11 -32.090 11.568 -14.527 73 HB2 LYS 11 HB2 LYS 11 -30.738 11.297 -17.159 74 HB3 LYS 11 HB3 LYS 11 -32.453 11.682 -17.180 75 HG2 LYS 11 HG2 LYS 11 -31.004 13.673 -17.276 76 HG3 LYS 11 HG3 LYS 11 -32.081 13.666 -15.877 77 HD2 LYS 11 HD2 LYS 11 -30.373 13.432 -14.395 78 HD3 LYS 11 HD3 LYS 11 -29.397 12.468 -15.507 79 HE2 LYS 11 HE2 LYS 11 -28.644 14.378 -16.660 80 HE3 LYS 11 HE3 LYS 11 -29.882 15.403 -15.936 81 HZ1 LYS 11 HZ1 LYS 11 -27.455 15.471 -15.058 82 HZ2 LYS 11 HZ2 LYS 11 -27.911 14.087 -14.200 83 HZ3 LYS 11 HZ3 LYS 11 -28.746 15.539 -13.966 84 H GLY 12 H GLY 12 -34.153 11.213 -16.062 85 HA2 GLY 12 HA2 GLY 12 -35.930 9.848 -16.557 86 HA3 GLY 12 HA3 GLY 12 -34.746 8.610 -16.951 87 HA PRO 13 HA PRO 13 -37.186 7.659 -12.978 88 HB2 PRO 13 HB2 PRO 13 -38.807 5.722 -13.973 89 HB3 PRO 13 HB3 PRO 13 -39.260 7.430 -13.939 90 HG2 PRO 13 HG2 PRO 13 -38.176 5.803 -16.205 91 HG3 PRO 13 HG3 PRO 13 -39.488 6.996 -16.212 92 HD2 PRO 13 HD2 PRO 13 -36.986 7.577 -17.071 93 HD3 PRO 13 HD3 PRO 13 -38.033 8.782 -16.293 94 H CYS 14 H CYS 14 -37.531 5.279 -12.145 95 HA CYS 14 HA CYS 14 -35.462 3.488 -13.182 96 HB2 CYS 14 HB2 CYS 14 -34.785 3.068 -10.740 97 HB3 CYS 14 HB3 CYS 14 -34.209 4.548 -11.499 98 H ILE 15 H ILE 15 -35.959 1.360 -13.026 99 HA ILE 15 HA ILE 15 -38.565 0.511 -12.721 100 HB ILE 15 HB ILE 15 -37.528 -1.798 -12.304 101 HG12 ILE 15 HG12 ILE 15 -34.971 -0.418 -13.094 102 HG13 ILE 15 HG13 ILE 15 -35.383 -0.686 -11.403 103 HG21 ILE 15 HG21 ILE 15 -36.683 -0.249 -14.750 104 HG22 ILE 15 HG22 ILE 15 -36.837 -2.001 -14.625 105 HG23 ILE 15 HG23 ILE 15 -38.268 -0.978 -14.495 106 HD11 ILE 15 HD11 ILE 15 -34.260 -2.597 -11.687 107 HD12 ILE 15 HD12 ILE 15 -35.759 -3.162 -12.426 108 HD13 ILE 15 HD13 ILE 15 -34.446 -2.566 -13.440 109 HA PRO 16 HA PRO 16 -39.440 0.151 -8.436 110 HB2 PRO 16 HB2 PRO 16 -40.913 -2.128 -8.352 111 HB3 PRO 16 HB3 PRO 16 -41.523 -0.615 -9.032 112 HG2 PRO 16 HG2 PRO 16 -40.387 -3.002 -10.437 113 HG3 PRO 16 HG3 PRO 16 -41.804 -2.025 -10.860 114 HD2 PRO 16 HD2 PRO 16 -39.407 -1.721 -12.082 115 HD3 PRO 16 HD3 PRO 16 -40.529 -0.368 -11.830 116 H ASP 17 H ASP 17 -37.483 -2.109 -10.012 117 HA ASP 17 HA ASP 17 -36.984 -3.704 -7.621 118 HB2 ASP 17 HB2 ASP 17 -37.125 -4.570 -10.092 119 HB3 ASP 17 HB3 ASP 17 -35.454 -4.020 -10.178 120 H GLY 18 H GLY 18 -34.960 -1.951 -9.989 121 HA2 GLY 18 HA2 GLY 18 -33.068 -1.408 -7.787 122 HA3 GLY 18 HA3 GLY 18 -32.599 -1.583 -9.471 123 H ASN 19 H ASN 19 -33.537 0.574 -7.023 124 HA ASN 19 HA ASN 19 -34.200 2.721 -8.880 125 HB2 ASN 19 HB2 ASN 19 -34.271 2.455 -5.883 126 HB3 ASN 19 HB3 ASN 19 -34.418 4.028 -6.661 127 HD21 ASN 19 HD21 ASN 19 -35.689 0.800 -7.407 128 HD22 ASN 19 HD22 ASN 19 -37.346 1.285 -7.484 129 H CYS 20 H CYS 20 -32.209 3.046 -9.906 130 HA CYS 20 HA CYS 20 -30.180 4.018 -10.237 131 HB2 CYS 20 HB2 CYS 20 -31.411 5.872 -8.965 132 HB3 CYS 20 HB3 CYS 20 -30.500 5.350 -7.552 133 H ASN 21 H ASN 21 -30.571 1.552 -8.458 134 HA ASN 21 HA ASN 21 -28.328 1.583 -6.668 135 HB2 ASN 21 HB2 ASN 21 -30.291 0.181 -6.211 136 HB3 ASN 21 HB3 ASN 21 -29.991 -0.732 -7.687 137 HD21 ASN 21 HD21 ASN 21 -29.618 -2.690 -6.799 138 HD22 ASN 21 HD22 ASN 21 -28.292 -3.040 -5.748 139 H LYS 22 H LYS 22 -29.008 -0.441 -9.529 140 HA LYS 22 HA LYS 22 -26.447 -1.444 -9.868 141 HB2 LYS 22 HB2 LYS 22 -27.115 -1.803 -12.255 142 HB3 LYS 22 HB3 LYS 22 -28.275 -2.407 -11.080 143 HG2 LYS 22 HG2 LYS 22 -29.850 -1.268 -12.135 144 HG3 LYS 22 HG3 LYS 22 -29.054 0.224 -11.630 145 HD2 LYS 22 HD2 LYS 22 -27.929 0.456 -13.649 146 HD3 LYS 22 HD3 LYS 22 -28.100 -1.254 -14.053 147 HE2 LYS 22 HE2 LYS 22 -30.173 -0.978 -14.918 148 HE3 LYS 22 HE3 LYS 22 -30.611 0.267 -13.749 149 HZ1 LYS 22 HZ1 LYS 22 -28.614 1.330 -15.358 150 HZ2 LYS 22 HZ2 LYS 22 -30.248 1.765 -15.319 151 HZ3 LYS 22 HZ3 LYS 22 -29.714 0.580 -16.402 152 H HIS 23 H HIS 23 -27.800 1.628 -10.868 153 HA HIS 23 HA HIS 23 -25.754 2.392 -12.656 154 HB2 HIS 23 HB2 HIS 23 -28.134 3.441 -12.094 155 HB3 HIS 23 HB3 HIS 23 -27.163 4.464 -11.040 156 HD1 HIS 23 HD1 HIS 23 -25.825 6.310 -12.123 157 HD2 HIS 23 HD2 HIS 23 -27.522 3.709 -14.884 158 HE1 HIS 23 HE1 HIS 23 -25.471 7.387 -14.368 159 H CYS 24 H CYS 24 -26.336 3.623 -9.356 160 HA CYS 24 HA CYS 24 -23.838 4.858 -9.081 161 HB2 CYS 24 HB2 CYS 24 -25.778 3.824 -7.009 162 HB3 CYS 24 HB3 CYS 24 -24.342 4.761 -6.608 163 H LYS 25 H LYS 25 -24.733 1.559 -8.908 164 HA LYS 25 HA LYS 25 -22.397 0.775 -7.364 165 HB2 LYS 25 HB2 LYS 25 -24.721 -0.716 -8.555 166 HB3 LYS 25 HB3 LYS 25 -23.309 -1.571 -7.948 167 HG2 LYS 25 HG2 LYS 25 -23.688 -0.303 -5.769 168 HG3 LYS 25 HG3 LYS 25 -25.273 0.107 -6.428 169 HD2 LYS 25 HD2 LYS 25 -25.714 -1.819 -5.213 170 HD3 LYS 25 HD3 LYS 25 -25.481 -2.444 -6.847 171 HE2 LYS 25 HE2 LYS 25 -23.187 -3.045 -6.309 172 HE3 LYS 25 HE3 LYS 25 -23.369 -2.361 -4.694 173 HZ1 LYS 25 HZ1 LYS 25 -25.218 -4.016 -4.385 174 HZ2 LYS 25 HZ2 LYS 25 -23.661 -4.669 -4.473 175 HZ3 LYS 25 HZ3 LYS 25 -24.694 -4.764 -5.809 176 H GLU 26 H GLU 26 -23.375 1.093 -10.658 177 HA GLU 26 HA GLU 26 -21.144 -0.535 -11.613 178 HB2 GLU 26 HB2 GLU 26 -23.542 0.704 -12.924 179 HB3 GLU 26 HB3 GLU 26 -22.167 0.195 -13.894 180 HG2 GLU 26 HG2 GLU 26 -22.393 -2.077 -13.007 181 HG3 GLU 26 HG3 GLU 26 -23.792 -1.561 -12.068 182 H LYS 27 H LYS 27 -21.957 2.719 -10.983 183 HA LYS 27 HA LYS 27 -19.807 3.719 -12.712 184 HB2 LYS 27 HB2 LYS 27 -21.900 5.259 -11.163 185 HB3 LYS 27 HB3 LYS 27 -20.735 5.944 -12.289 186 HG2 LYS 27 HG2 LYS 27 -21.870 4.191 -13.928 187 HG3 LYS 27 HG3 LYS 27 -23.220 4.424 -12.815 188 HD2 LYS 27 HD2 LYS 27 -23.489 6.630 -13.388 189 HD3 LYS 27 HD3 LYS 27 -21.797 6.826 -13.853 190 HE2 LYS 27 HE2 LYS 27 -22.190 5.515 -15.870 191 HE3 LYS 27 HE3 LYS 27 -23.870 5.268 -15.396 192 HZ1 LYS 27 HZ1 LYS 27 -24.289 7.093 -16.570 193 HZ2 LYS 27 HZ2 LYS 27 -22.656 7.517 -16.682 194 HZ3 LYS 27 HZ3 LYS 27 -23.556 7.971 -15.323 195 H GLU 28 H GLU 28 -21.012 4.818 -9.551 196 HA GLU 28 HA GLU 28 -18.301 5.359 -8.696 197 HB2 GLU 28 HB2 GLU 28 -21.029 5.963 -7.656 198 HB3 GLU 28 HB3 GLU 28 -19.688 5.972 -6.519 199 HG2 GLU 28 HG2 GLU 28 -19.338 7.478 -9.042 200 HG3 GLU 28 HG3 GLU 28 -20.457 8.135 -7.849 201 H HIS 29 H HIS 29 -20.274 2.692 -8.677 202 HA HIS 29 HA HIS 29 -20.333 0.727 -7.520 203 HB2 HIS 29 HB2 HIS 29 -17.460 1.579 -7.313 204 HB3 HIS 29 HB3 HIS 29 -18.007 0.088 -6.552 205 HD1 HIS 29 HD1 HIS 29 -17.733 1.693 -9.963 206 HD2 HIS 29 HD2 HIS 29 -18.270 -2.052 -8.245 207 HE1 HIS 29 HE1 HIS 29 -17.560 0.052 -11.860 208 H LEU 30 H LEU 30 -21.483 2.697 -6.061 209 HA LEU 30 HA LEU 30 -20.354 2.690 -3.384 210 HB2 LEU 30 HB2 LEU 30 -22.911 3.907 -4.417 211 HB3 LEU 30 HB3 LEU 30 -22.212 4.170 -2.821 212 HG LEU 30 HG LEU 30 -21.122 5.104 -5.472 213 HD11 LEU 30 HD11 LEU 30 -22.182 6.998 -5.036 214 HD12 LEU 30 HD12 LEU 30 -21.391 7.113 -3.464 215 HD13 LEU 30 HD13 LEU 30 -22.917 6.244 -3.621 216 HD21 LEU 30 HD21 LEU 30 -19.123 4.797 -4.477 217 HD22 LEU 30 HD22 LEU 30 -19.818 4.720 -2.857 218 HD23 LEU 30 HD23 LEU 30 -19.549 6.284 -3.629 219 H LEU 31 H LEU 31 -22.430 2.596 -1.706 220 HA LEU 31 HA LEU 31 -23.002 -0.171 -1.524 221 HB2 LEU 31 HB2 LEU 31 -24.023 2.233 -0.037 222 HB3 LEU 31 HB3 LEU 31 -24.558 0.595 0.334 223 HG LEU 31 HG LEU 31 -21.724 1.612 0.538 224 HD11 LEU 31 HD11 LEU 31 -22.086 2.084 2.693 225 HD12 LEU 31 HD12 LEU 31 -23.094 0.658 2.936 226 HD13 LEU 31 HD13 LEU 31 -23.792 2.124 2.247 227 HD21 LEU 31 HD21 LEU 31 -21.302 -0.548 1.647 228 HD22 LEU 31 HD22 LEU 31 -21.769 -0.735 -0.044 229 HD23 LEU 31 HD23 LEU 31 -22.940 -1.059 1.236 230 H SER 32 H SER 32 -25.108 2.633 -2.159 231 HA SER 32 HA SER 32 -26.707 1.156 -4.008 232 HB2 SER 32 HB2 SER 32 -28.789 1.116 -2.788 233 HB3 SER 32 HB3 SER 32 -27.565 0.307 -1.809 234 HG SER 32 HG SER 32 -27.454 2.066 -0.490 235 H GLY 33 H GLY 33 -29.002 2.617 -4.060 236 HA2 GLY 33 HA2 GLY 33 -28.451 5.438 -3.844 237 HA3 GLY 33 HA3 GLY 33 -28.437 4.851 -5.501 238 H ARG 34 H ARG 34 -30.228 6.757 -4.886 239 HA ARG 34 HA ARG 34 -32.747 5.331 -5.195 240 HB2 ARG 34 HB2 ARG 34 -32.626 7.613 -3.242 241 HB3 ARG 34 HB3 ARG 34 -33.896 6.416 -3.456 242 HG2 ARG 34 HG2 ARG 34 -32.249 4.695 -2.631 243 HG3 ARG 34 HG3 ARG 34 -31.201 6.043 -2.185 244 HD2 ARG 34 HD2 ARG 34 -32.289 5.944 -0.222 245 HD3 ARG 34 HD3 ARG 34 -33.554 6.821 -1.082 246 HE ARG 34 HE ARG 34 -34.877 4.984 -0.858 247 HH11 ARG 34 HH11 ARG 34 -31.553 3.981 -0.602 248 HH12 ARG 34 HH12 ARG 34 -31.943 2.331 -0.245 249 HH21 ARG 34 HH21 ARG 34 -35.403 2.815 -0.388 250 HH22 ARG 34 HH22 ARG 34 -34.132 1.669 -0.124 251 H CYS 35 H CYS 35 -34.423 6.614 -6.137 252 HA CYS 35 HA CYS 35 -33.356 8.872 -7.677 253 HB2 CYS 35 HB2 CYS 35 -35.967 7.472 -8.212 254 HB3 CYS 35 HB3 CYS 35 -34.982 8.416 -9.324 255 H ARG 36 H ARG 36 -34.842 10.685 -8.123 256 HA ARG 36 HA ARG 36 -36.777 11.158 -5.964 257 HB2 ARG 36 HB2 ARG 36 -34.649 13.097 -6.888 258 HB3 ARG 36 HB3 ARG 36 -35.953 13.489 -5.776 259 HG2 ARG 36 HG2 ARG 36 -33.955 11.316 -5.229 260 HG3 ARG 36 HG3 ARG 36 -33.706 12.995 -4.745 261 HD2 ARG 36 HD2 ARG 36 -36.310 11.837 -4.009 262 HD3 ARG 36 HD3 ARG 36 -34.912 11.123 -3.206 263 HE ARG 36 HE ARG 36 -35.975 13.776 -2.822 264 HH11 ARG 36 HH11 ARG 36 -33.205 11.696 -2.477 265 HH12 ARG 36 HH12 ARG 36 -32.482 12.649 -1.223 266 HH21 ARG 36 HH21 ARG 36 -35.034 15.039 -1.173 267 HH22 ARG 36 HH22 ARG 36 -33.524 14.550 -0.482 268 H ASP 37 H ASP 37 -38.151 13.127 -6.447 269 HA ASP 37 HA ASP 37 -39.218 12.843 -9.103 270 HB2 ASP 37 HB2 ASP 37 -40.024 14.622 -6.794 271 HB3 ASP 37 HB3 ASP 37 -40.910 14.504 -8.312 272 H ASP 38 H ASP 38 -36.883 14.812 -7.659 273 HA ASP 38 HA ASP 38 -37.279 17.050 -9.478 274 HB2 ASP 38 HB2 ASP 38 -35.300 18.016 -8.299 275 HB3 ASP 38 HB3 ASP 38 -36.640 17.623 -7.225 276 H PHE 39 H PHE 39 -36.491 14.290 -10.364 277 HA PHE 39 HA PHE 39 -35.119 13.314 -11.893 278 HB2 PHE 39 HB2 PHE 39 -35.012 16.209 -12.557 279 HB3 PHE 39 HB3 PHE 39 -33.802 15.173 -13.306 280 HD1 PHE 39 HD2 PHE 39 -37.478 15.362 -12.733 281 HD2 PHE 39 HD1 PHE 39 -34.309 14.111 -15.284 282 HE1 PHE 39 HE2 PHE 39 -39.120 14.683 -14.434 283 HE2 PHE 39 HE1 PHE 39 -35.946 13.430 -16.990 284 HZ PHE 39 HZ PHE 39 -38.355 13.715 -16.566 285 H ARG 40 H ARG 40 -34.092 13.671 -9.259 286 HA ARG 40 HA ARG 40 -31.215 13.728 -9.869 287 HB2 ARG 40 HB2 ARG 40 -32.408 14.757 -7.294 288 HB3 ARG 40 HB3 ARG 40 -30.729 14.853 -7.807 289 HG2 ARG 40 HG2 ARG 40 -32.389 16.100 -9.770 290 HG3 ARG 40 HG3 ARG 40 -32.765 16.751 -8.173 291 HD2 ARG 40 HD2 ARG 40 -30.106 16.781 -8.009 292 HD3 ARG 40 HD3 ARG 40 -30.266 16.916 -9.760 293 HE ARG 40 HE ARG 40 -30.752 18.956 -7.858 294 HH11 ARG 40 HH11 ARG 40 -31.935 17.668 -10.868 295 HH12 ARG 40 HH12 ARG 40 -32.586 19.179 -11.409 296 HH21 ARG 40 HH21 ARG 40 -31.605 20.952 -8.560 297 HH22 ARG 40 HH22 ARG 40 -32.397 21.047 -10.096 298 H CYS 41 H CYS 41 -29.973 12.183 -8.878 299 HA CYS 41 HA CYS 41 -31.437 10.187 -7.278 300 HB2 CYS 41 HB2 CYS 41 -30.863 9.122 -9.302 301 HB3 CYS 41 HB3 CYS 41 -29.270 9.871 -9.343 302 H TRP 42 H TRP 42 -30.526 9.416 -5.416 303 HA TRP 42 HA TRP 42 -28.037 10.738 -4.552 304 HB2 TRP 42 HB2 TRP 42 -30.514 9.983 -3.011 305 HB3 TRP 42 HB3 TRP 42 -28.980 10.298 -2.204 306 HD1 TRP 42 HD1 TRP 42 -31.504 12.117 -4.510 307 HE1 TRP 42 HE1 TRP 42 -31.385 14.635 -3.988 308 HE3 TRP 42 HE3 TRP 42 -27.658 12.067 -1.142 309 HZ2 TRP 42 HZ2 TRP 42 -29.862 16.370 -2.365 310 HZ3 TRP 42 HZ3 TRP 42 -26.930 14.199 -0.152 311 HH2 TRP 42 HH2 TRP 42 -28.010 16.305 -0.752 312 H CYS 43 H CYS 43 -26.360 9.428 -4.323 313 HA CYS 43 HA CYS 43 -26.825 6.551 -4.033 314 HB2 CYS 43 HB2 CYS 43 -24.187 7.916 -4.571 315 HB3 CYS 43 HB3 CYS 43 -24.603 6.226 -4.836 316 H THR 44 H THR 44 -26.145 5.387 -2.304 317 HA THR 44 HA THR 44 -25.193 6.922 0.005 318 HB THR 44 HB THR 44 -26.379 4.141 -0.110 319 HG1 THR 44 HG1 THR 44 -27.938 5.736 -0.500 320 HG21 THR 44 HG21 THR 44 -25.443 3.891 1.908 321 HG22 THR 44 HG22 THR 44 -26.584 5.111 2.476 322 HG23 THR 44 HG23 THR 44 -24.961 5.586 1.976 323 H ARG 45 H ARG 45 -23.213 6.657 0.831 324 HA ARG 45 HA ARG 45 -21.674 4.266 0.107 325 HB2 ARG 45 HB2 ARG 45 -19.716 5.566 -0.431 326 HB3 ARG 45 HB3 ARG 45 -21.055 6.124 -1.425 327 HG2 ARG 45 HG2 ARG 45 -21.381 8.015 0.118 328 HG3 ARG 45 HG3 ARG 45 -19.984 7.468 1.047 329 HD2 ARG 45 HD2 ARG 45 -19.896 8.180 -1.880 330 HD3 ARG 45 HD3 ARG 45 -19.502 9.304 -0.580 331 HE ARG 45 HE ARG 45 -17.881 7.124 -1.548 332 HH11 ARG 45 HH11 ARG 45 -18.509 9.314 1.084 333 HH12 ARG 45 HH12 ARG 45 -16.915 9.177 1.751 334 HH21 ARG 45 HH21 ARG 45 -15.780 6.934 -0.680 335 HH22 ARG 45 HH22 ARG 45 -15.364 7.824 0.746 336 H ASN 46 H ASN 46 -19.638 4.105 1.451 337 HA ASN 46 HA ASN 46 -20.350 4.362 4.208 338 HB2 ASN 46 HB2 ASN 46 -17.666 3.579 3.058 339 HB3 ASN 46 HB3 ASN 46 -18.275 3.222 4.671 340 HD21 ASN 46 HD21 ASN 46 -18.420 2.414 1.307 341 HD22 ASN 46 HD22 ASN 46 -19.304 0.941 1.487 342 H CYS 47 H CYS 47 -19.666 5.796 5.710 343 HA CYS 47 HA CYS 47 -17.447 7.568 5.220 344 HB2 CYS 47 HB2 CYS 47 -18.605 9.619 5.138 345 HB3 CYS 47 HB3 CYS 47 -19.475 8.574 4.020 Start of MODEL 3 1 H1 LYS 1 H LYS 1 -20.137 3.251 8.910 2 HA LYS 1 HA LYS 1 -22.829 4.432 9.105 3 HB2 LYS 1 HB2 LYS 1 -20.962 5.524 10.405 4 HB3 LYS 1 HB3 LYS 1 -20.211 5.919 8.864 5 HG2 LYS 1 HG2 LYS 1 -21.459 7.806 9.776 6 HG3 LYS 1 HG3 LYS 1 -22.137 7.258 8.241 7 HD2 LYS 1 HD2 LYS 1 -24.053 6.484 9.207 8 HD3 LYS 1 HD3 LYS 1 -23.252 6.085 10.729 9 HE2 LYS 1 HE2 LYS 1 -23.450 8.950 9.974 10 HE3 LYS 1 HE3 LYS 1 -24.923 8.137 10.501 11 HZ1 LYS 1 HZ1 LYS 1 -22.437 8.615 12.013 12 HZ2 LYS 1 HZ2 LYS 1 -23.486 7.367 12.461 13 HZ3 LYS 1 HZ3 LYS 1 -24.032 8.968 12.452 14 H THR 2 H THR 2 -23.445 5.929 7.385 15 HA THR 2 HA THR 2 -22.042 5.604 4.847 16 HB THR 2 HB THR 2 -24.327 5.167 3.740 17 HG1 THR 2 HG1 THR 2 -24.863 4.594 6.460 18 HG21 THR 2 HG21 THR 2 -22.826 3.109 5.345 19 HG22 THR 2 HG22 THR 2 -22.683 3.472 3.625 20 HG23 THR 2 HG23 THR 2 -24.133 2.681 4.242 21 H CYS 3 H CYS 3 -22.539 7.197 3.298 22 HA CYS 3 HA CYS 3 -24.107 9.468 4.332 23 HB2 CYS 3 HB2 CYS 3 -21.474 9.438 2.868 24 HB3 CYS 3 HB3 CYS 3 -22.495 10.872 2.905 25 H GLU 4 H GLU 4 -25.037 10.874 2.684 26 HA GLU 4 HA GLU 4 -25.634 9.411 0.195 27 HB2 GLU 4 HB2 GLU 4 -27.470 9.852 2.059 28 HB3 GLU 4 HB3 GLU 4 -27.547 11.427 1.280 29 HG2 GLU 4 HG2 GLU 4 -28.954 10.545 -0.178 30 HG3 GLU 4 HG3 GLU 4 -27.606 9.603 -0.815 31 H ASN 5 H ASN 5 -25.292 10.438 -1.680 32 HA ASN 5 HA ASN 5 -25.055 13.350 -1.714 33 HB2 ASN 5 HB2 ASN 5 -22.933 13.285 -2.919 34 HB3 ASN 5 HB3 ASN 5 -22.768 12.487 -1.358 35 HD21 ASN 5 HD21 ASN 5 -21.613 10.716 -1.438 36 HD22 ASN 5 HD22 ASN 5 -21.515 9.615 -2.766 37 H LEU 6 H LEU 6 -25.268 14.283 -3.813 38 HA LEU 6 HA LEU 6 -27.138 12.947 -5.466 39 HB2 LEU 6 HB2 LEU 6 -25.560 15.483 -5.774 40 HB3 LEU 6 HB3 LEU 6 -26.659 14.908 -7.027 41 HG LEU 6 HG LEU 6 -27.430 15.651 -4.205 42 HD11 LEU 6 HD11 LEU 6 -28.685 17.185 -6.268 43 HD12 LEU 6 HD12 LEU 6 -26.933 17.272 -6.446 44 HD13 LEU 6 HD13 LEU 6 -27.688 17.732 -4.920 45 HD21 LEU 6 HD21 LEU 6 -29.753 15.486 -5.200 46 HD22 LEU 6 HD22 LEU 6 -28.917 13.960 -4.911 47 HD23 LEU 6 HD23 LEU 6 -29.012 14.618 -6.546 48 H SER 7 H SER 7 -26.887 11.736 -7.244 49 HA SER 7 HA SER 7 -24.457 10.543 -7.886 50 HB2 SER 7 HB2 SER 7 -26.890 9.840 -8.484 51 HB3 SER 7 HB3 SER 7 -26.646 10.822 -9.928 52 HG SER 7 HG SER 7 -24.762 8.866 -9.179 53 H ASP 8 H ASP 8 -23.770 10.566 -10.386 54 HA ASP 8 HA ASP 8 -22.572 13.140 -10.779 55 HB2 ASP 8 HB2 ASP 8 -21.763 11.965 -12.954 56 HB3 ASP 8 HB3 ASP 8 -21.157 11.398 -11.400 57 H SER 9 H SER 9 -24.586 11.134 -12.940 58 HA SER 9 HA SER 9 -26.166 13.432 -13.695 59 HB2 SER 9 HB2 SER 9 -25.626 13.392 -16.051 60 HB3 SER 9 HB3 SER 9 -24.129 13.597 -15.141 61 HG SER 9 HG SER 9 -24.783 11.665 -16.869 62 H PHE 10 H PHE 10 -27.230 11.431 -12.428 63 HA PHE 10 HA PHE 10 -28.103 9.305 -14.168 64 HB2 PHE 10 HB2 PHE 10 -27.836 8.687 -11.894 65 HB3 PHE 10 HB3 PHE 10 -28.762 10.073 -11.329 66 HD1 PHE 10 HD1 PHE 10 -31.209 10.108 -11.563 67 HD2 PHE 10 HD2 PHE 10 -28.906 6.677 -12.582 68 HE1 PHE 10 HE1 PHE 10 -33.247 8.729 -11.513 69 HE2 PHE 10 HE2 PHE 10 -30.939 5.293 -12.535 70 HZ PHE 10 HZ PHE 10 -33.113 6.319 -12.000 71 H LYS 11 H LYS 11 -29.881 9.255 -15.384 72 HA LYS 11 HA LYS 11 -32.192 10.870 -14.758 73 HB2 LYS 11 HB2 LYS 11 -30.317 11.555 -16.959 74 HB3 LYS 11 HB3 LYS 11 -32.037 11.659 -17.315 75 HG2 LYS 11 HG2 LYS 11 -31.832 13.744 -16.531 76 HG3 LYS 11 HG3 LYS 11 -31.928 12.969 -14.948 77 HD2 LYS 11 HD2 LYS 11 -29.319 12.719 -15.317 78 HD3 LYS 11 HD3 LYS 11 -29.578 14.109 -16.374 79 HE2 LYS 11 HE2 LYS 11 -30.785 14.165 -13.657 80 HE3 LYS 11 HE3 LYS 11 -29.041 14.388 -13.795 81 HZ1 LYS 11 HZ1 LYS 11 -29.498 16.505 -14.221 82 HZ2 LYS 11 HZ2 LYS 11 -31.151 16.206 -14.415 83 HZ3 LYS 11 HZ3 LYS 11 -30.097 16.012 -15.724 84 H GLY 12 H GLY 12 -31.355 8.019 -15.195 85 HA2 GLY 12 HA2 GLY 12 -32.982 7.307 -17.529 86 HA3 GLY 12 HA3 GLY 12 -31.917 6.225 -16.644 87 HA PRO 13 HA PRO 13 -36.500 6.025 -15.249 88 HB2 PRO 13 HB2 PRO 13 -37.351 3.926 -16.746 89 HB3 PRO 13 HB3 PRO 13 -37.507 5.606 -17.272 90 HG2 PRO 13 HG2 PRO 13 -35.446 3.569 -18.024 91 HG3 PRO 13 HG3 PRO 13 -36.297 4.734 -19.056 92 HD2 PRO 13 HD2 PRO 13 -33.770 5.142 -18.176 93 HD3 PRO 13 HD3 PRO 13 -34.912 6.473 -18.450 94 H CYS 14 H CYS 14 -35.026 5.324 -13.460 95 HA CYS 14 HA CYS 14 -34.021 2.748 -13.170 96 HB2 CYS 14 HB2 CYS 14 -34.231 3.196 -10.689 97 HB3 CYS 14 HB3 CYS 14 -33.351 4.415 -11.606 98 H ILE 15 H ILE 15 -34.928 1.339 -11.201 99 HA ILE 15 HA ILE 15 -37.752 0.777 -11.834 100 HB ILE 15 HB ILE 15 -37.086 -1.598 -10.990 101 HG12 ILE 15 HG12 ILE 15 -34.415 -0.829 -12.125 102 HG13 ILE 15 HG13 ILE 15 -34.737 -0.623 -10.407 103 HG21 ILE 15 HG21 ILE 15 -36.272 -0.526 -13.687 104 HG22 ILE 15 HG22 ILE 15 -36.456 -2.235 -13.298 105 HG23 ILE 15 HG23 ILE 15 -37.853 -1.161 -13.231 106 HD11 ILE 15 HD11 ILE 15 -33.942 -2.956 -11.789 107 HD12 ILE 15 HD12 ILE 15 -34.259 -2.750 -10.066 108 HD13 ILE 15 HD13 ILE 15 -35.563 -3.230 -11.151 109 HA PRO 16 HA PRO 16 -38.834 1.120 -7.596 110 HB2 PRO 16 HB2 PRO 16 -40.626 -0.896 -7.288 111 HB3 PRO 16 HB3 PRO 16 -40.983 0.576 -8.199 112 HG2 PRO 16 HG2 PRO 16 -40.158 -2.121 -9.203 113 HG3 PRO 16 HG3 PRO 16 -41.401 -1.025 -9.833 114 HD2 PRO 16 HD2 PRO 16 -38.943 -1.235 -10.949 115 HD3 PRO 16 HD3 PRO 16 -39.863 0.284 -10.944 116 H ASP 17 H ASP 17 -37.199 -1.615 -8.744 117 HA ASP 17 HA ASP 17 -36.962 -2.822 -6.087 118 HB2 ASP 17 HB2 ASP 17 -37.382 -4.472 -7.724 119 HB3 ASP 17 HB3 ASP 17 -36.234 -3.761 -8.855 120 H GLY 18 H GLY 18 -35.066 -1.215 -8.577 121 HA2 GLY 18 HA2 GLY 18 -32.893 -0.925 -6.608 122 HA3 GLY 18 HA3 GLY 18 -32.532 -1.427 -8.253 123 H ASN 19 H ASN 19 -34.490 1.121 -6.699 124 HA ASN 19 HA ASN 19 -34.355 2.993 -8.717 125 HB2 ASN 19 HB2 ASN 19 -34.516 4.685 -6.740 126 HB3 ASN 19 HB3 ASN 19 -35.829 3.539 -6.999 127 HD21 ASN 19 HD21 ASN 19 -36.503 3.581 -4.882 128 HD22 ASN 19 HD22 ASN 19 -35.593 2.874 -3.595 129 H CYS 20 H CYS 20 -32.503 3.470 -9.742 130 HA CYS 20 HA CYS 20 -30.411 4.267 -10.142 131 HB2 CYS 20 HB2 CYS 20 -31.468 6.169 -8.769 132 HB3 CYS 20 HB3 CYS 20 -30.501 5.567 -7.427 133 H ASN 21 H ASN 21 -30.864 1.774 -8.478 134 HA ASN 21 HA ASN 21 -28.600 1.609 -6.722 135 HB2 ASN 21 HB2 ASN 21 -30.631 0.278 -6.322 136 HB3 ASN 21 HB3 ASN 21 -30.366 -0.583 -7.836 137 HD21 ASN 21 HD21 ASN 21 -29.973 -2.591 -7.152 138 HD22 ASN 21 HD22 ASN 21 -28.701 -3.037 -6.071 139 H LYS 22 H LYS 22 -29.390 -0.363 -9.586 140 HA LYS 22 HA LYS 22 -26.860 -1.382 -10.026 141 HB2 LYS 22 HB2 LYS 22 -27.586 -1.885 -12.283 142 HB3 LYS 22 HB3 LYS 22 -28.914 -2.163 -11.164 143 HG2 LYS 22 HG2 LYS 22 -30.058 -1.038 -12.751 144 HG3 LYS 22 HG3 LYS 22 -29.471 0.354 -11.838 145 HD2 LYS 22 HD2 LYS 22 -28.382 1.091 -13.629 146 HD3 LYS 22 HD3 LYS 22 -27.469 -0.417 -13.715 147 HE2 LYS 22 HE2 LYS 22 -29.473 -1.405 -14.903 148 HE3 LYS 22 HE3 LYS 22 -30.101 0.238 -15.020 149 HZ1 LYS 22 HZ1 LYS 22 -28.381 -0.983 -16.770 150 HZ2 LYS 22 HZ2 LYS 22 -27.397 0.084 -15.901 151 HZ3 LYS 22 HZ3 LYS 22 -28.759 0.666 -16.718 152 H HIS 23 H HIS 23 -28.181 1.732 -10.924 153 HA HIS 23 HA HIS 23 -26.175 2.487 -12.765 154 HB2 HIS 23 HB2 HIS 23 -28.519 3.567 -12.129 155 HB3 HIS 23 HB3 HIS 23 -27.509 4.552 -11.076 156 HD1 HIS 23 HD1 HIS 23 -26.195 6.416 -12.145 157 HD2 HIS 23 HD2 HIS 23 -27.932 3.867 -14.929 158 HE1 HIS 23 HE1 HIS 23 -25.864 7.530 -14.375 159 H CYS 24 H CYS 24 -26.644 3.673 -9.430 160 HA CYS 24 HA CYS 24 -24.117 4.861 -9.208 161 HB2 CYS 24 HB2 CYS 24 -26.035 3.842 -7.109 162 HB3 CYS 24 HB3 CYS 24 -24.559 4.719 -6.717 163 H LYS 25 H LYS 25 -25.062 1.578 -9.072 164 HA LYS 25 HA LYS 25 -22.704 0.728 -7.597 165 HB2 LYS 25 HB2 LYS 25 -25.070 -0.720 -8.764 166 HB3 LYS 25 HB3 LYS 25 -23.665 -1.590 -8.164 167 HG2 LYS 25 HG2 LYS 25 -24.015 -0.326 -5.983 168 HG3 LYS 25 HG3 LYS 25 -25.595 0.121 -6.633 169 HD2 LYS 25 HD2 LYS 25 -26.095 -1.795 -5.443 170 HD3 LYS 25 HD3 LYS 25 -25.834 -2.438 -7.066 171 HE2 LYS 25 HE2 LYS 25 -23.321 -2.360 -5.770 172 HE3 LYS 25 HE3 LYS 25 -24.471 -3.074 -4.641 173 HZ1 LYS 25 HZ1 LYS 25 -23.831 -3.993 -7.386 174 HZ2 LYS 25 HZ2 LYS 25 -25.149 -4.575 -6.501 175 HZ3 LYS 25 HZ3 LYS 25 -23.575 -4.821 -5.933 176 H GLU 26 H GLU 26 -23.770 1.103 -10.860 177 HA GLU 26 HA GLU 26 -21.593 -0.546 -11.898 178 HB2 GLU 26 HB2 GLU 26 -24.003 0.753 -13.127 179 HB3 GLU 26 HB3 GLU 26 -22.665 0.229 -14.139 180 HG2 GLU 26 HG2 GLU 26 -22.911 -2.049 -13.271 181 HG3 GLU 26 HG3 GLU 26 -24.275 -1.516 -12.290 182 H LYS 27 H LYS 27 -22.328 2.710 -11.196 183 HA LYS 27 HA LYS 27 -20.212 3.699 -12.973 184 HB2 LYS 27 HB2 LYS 27 -22.235 5.250 -11.347 185 HB3 LYS 27 HB3 LYS 27 -21.088 5.934 -12.492 186 HG2 LYS 27 HG2 LYS 27 -22.294 4.225 -14.128 187 HG3 LYS 27 HG3 LYS 27 -23.611 4.464 -12.977 188 HD2 LYS 27 HD2 LYS 27 -23.871 6.071 -14.726 189 HD3 LYS 27 HD3 LYS 27 -23.324 6.930 -13.285 190 HE2 LYS 27 HE2 LYS 27 -21.152 7.190 -14.132 191 HE3 LYS 27 HE3 LYS 27 -21.393 5.956 -15.368 192 HZ1 LYS 27 HZ1 LYS 27 -23.224 7.610 -16.167 193 HZ2 LYS 27 HZ2 LYS 27 -21.605 7.857 -16.592 194 HZ3 LYS 27 HZ3 LYS 27 -22.293 8.748 -15.330 195 H GLU 28 H GLU 28 -21.309 4.773 -9.765 196 HA GLU 28 HA GLU 28 -18.566 5.257 -8.979 197 HB2 GLU 28 HB2 GLU 28 -21.254 5.888 -7.853 198 HB3 GLU 28 HB3 GLU 28 -19.881 5.860 -6.755 199 HG2 GLU 28 HG2 GLU 28 -19.648 7.411 -9.279 200 HG3 GLU 28 HG3 GLU 28 -20.627 8.066 -7.968 201 H HIS 29 H HIS 29 -20.589 2.624 -8.936 202 HA HIS 29 HA HIS 29 -20.641 0.640 -7.813 203 HB2 HIS 29 HB2 HIS 29 -17.754 1.453 -7.667 204 HB3 HIS 29 HB3 HIS 29 -18.299 -0.037 -6.902 205 HD1 HIS 29 HD1 HIS 29 -18.178 1.595 -10.318 206 HD2 HIS 29 HD2 HIS 29 -18.546 -2.167 -8.593 207 HE1 HIS 29 HE1 HIS 29 -18.052 -0.036 -12.228 208 H LEU 30 H LEU 30 -21.723 2.618 -6.301 209 HA LEU 30 HA LEU 30 -20.539 2.539 -3.649 210 HB2 LEU 30 HB2 LEU 30 -23.082 3.838 -4.614 211 HB3 LEU 30 HB3 LEU 30 -22.353 4.052 -3.024 212 HG LEU 30 HG LEU 30 -21.286 5.014 -5.673 213 HD11 LEU 30 HD11 LEU 30 -21.464 6.973 -3.600 214 HD12 LEU 30 HD12 LEU 30 -23.018 6.159 -3.775 215 HD13 LEU 30 HD13 LEU 30 -22.268 6.935 -5.170 216 HD21 LEU 30 HD21 LEU 30 -19.950 4.577 -3.072 217 HD22 LEU 30 HD22 LEU 30 -19.623 6.108 -3.884 218 HD23 LEU 30 HD23 LEU 30 -19.285 4.584 -4.706 219 H LEU 31 H LEU 31 -22.588 2.470 -1.933 220 HA LEU 31 HA LEU 31 -23.220 -0.284 -1.778 221 HB2 LEU 31 HB2 LEU 31 -24.167 2.121 -0.245 222 HB3 LEU 31 HB3 LEU 31 -24.730 0.490 0.114 223 HG LEU 31 HG LEU 31 -21.872 1.444 0.284 224 HD11 LEU 31 HD11 LEU 31 -22.171 1.861 2.467 225 HD12 LEU 31 HD12 LEU 31 -23.269 0.499 2.683 226 HD13 LEU 31 HD13 LEU 31 -23.871 2.020 2.025 227 HD21 LEU 31 HD21 LEU 31 -21.342 -0.711 0.173 228 HD22 LEU 31 HD22 LEU 31 -23.040 -1.189 0.152 229 HD23 LEU 31 HD23 LEU 31 -22.213 -0.939 1.690 230 H SER 32 H SER 32 -25.275 2.572 -2.341 231 HA SER 32 HA SER 32 -26.931 1.163 -4.190 232 HB2 SER 32 HB2 SER 32 -28.937 0.964 -2.970 233 HB3 SER 32 HB3 SER 32 -27.700 0.376 -1.859 234 HG SER 32 HG SER 32 -29.052 2.856 -1.849 235 H GLY 33 H GLY 33 -29.197 2.662 -4.187 236 HA2 GLY 33 HA2 GLY 33 -28.553 5.472 -3.946 237 HA3 GLY 33 HA3 GLY 33 -28.658 4.896 -5.604 238 H ARG 34 H ARG 34 -30.358 6.796 -5.133 239 HA ARG 34 HA ARG 34 -32.933 5.439 -5.088 240 HB2 ARG 34 HB2 ARG 34 -32.571 7.924 -3.427 241 HB3 ARG 34 HB3 ARG 34 -33.926 6.803 -3.436 242 HG2 ARG 34 HG2 ARG 34 -32.297 5.068 -2.543 243 HG3 ARG 34 HG3 ARG 34 -31.198 6.418 -2.251 244 HD2 ARG 34 HD2 ARG 34 -32.366 6.043 -0.223 245 HD3 ARG 34 HD3 ARG 34 -33.052 7.501 -0.939 246 HE ARG 34 HE ARG 34 -34.493 5.142 -1.667 247 HH11 ARG 34 HH11 ARG 34 -34.062 7.525 0.834 248 HH12 ARG 34 HH12 ARG 34 -35.655 7.320 1.484 249 HH21 ARG 34 HH21 ARG 34 -36.592 4.863 -0.820 250 HH22 ARG 34 HH22 ARG 34 -37.093 5.805 0.544 251 H CYS 35 H CYS 35 -34.645 6.686 -6.038 252 HA CYS 35 HA CYS 35 -33.631 8.778 -7.843 253 HB2 CYS 35 HB2 CYS 35 -36.132 7.128 -8.219 254 HB3 CYS 35 HB3 CYS 35 -35.331 8.149 -9.409 255 H ARG 36 H ARG 36 -34.435 10.779 -7.723 256 HA ARG 36 HA ARG 36 -36.676 11.242 -5.879 257 HB2 ARG 36 HB2 ARG 36 -34.665 13.257 -6.891 258 HB3 ARG 36 HB3 ARG 36 -35.832 13.483 -5.596 259 HG2 ARG 36 HG2 ARG 36 -34.205 11.210 -5.009 260 HG3 ARG 36 HG3 ARG 36 -33.176 12.590 -5.402 261 HD2 ARG 36 HD2 ARG 36 -33.527 12.759 -3.095 262 HD3 ARG 36 HD3 ARG 36 -34.651 13.921 -3.799 263 HE ARG 36 HE ARG 36 -36.385 12.682 -2.974 264 HH11 ARG 36 HH11 ARG 36 -33.497 10.738 -2.956 265 HH12 ARG 36 HH12 ARG 36 -34.227 9.427 -2.090 266 HH21 ARG 36 HH21 ARG 36 -37.358 10.962 -1.834 267 HH22 ARG 36 HH22 ARG 36 -36.424 9.556 -1.453 268 H ASP 37 H ASP 37 -38.125 13.075 -6.428 269 HA ASP 37 HA ASP 37 -39.071 12.777 -9.130 270 HB2 ASP 37 HB2 ASP 37 -40.069 14.492 -6.846 271 HB3 ASP 37 HB3 ASP 37 -40.894 14.299 -8.391 272 H ASP 38 H ASP 38 -36.894 14.830 -7.573 273 HA ASP 38 HA ASP 38 -37.343 17.080 -9.368 274 HB2 ASP 38 HB2 ASP 38 -35.240 17.936 -8.066 275 HB3 ASP 38 HB3 ASP 38 -36.808 17.896 -7.265 276 H PHE 39 H PHE 39 -36.457 14.470 -10.391 277 HA PHE 39 HA PHE 39 -34.958 13.584 -11.857 278 HB2 PHE 39 HB2 PHE 39 -34.932 16.504 -12.390 279 HB3 PHE 39 HB3 PHE 39 -33.630 15.559 -13.107 280 HD1 PHE 39 HD1 PHE 39 -37.246 16.139 -13.045 281 HD2 PHE 39 HD2 PHE 39 -34.060 13.983 -14.866 282 HE1 PHE 39 HE1 PHE 39 -38.750 15.467 -14.873 283 HE2 PHE 39 HE2 PHE 39 -35.558 13.309 -16.697 284 HZ PHE 39 HZ PHE 39 -37.907 14.051 -16.703 285 H ARG 40 H ARG 40 -34.066 13.778 -9.187 286 HA ARG 40 HA ARG 40 -31.170 13.963 -9.643 287 HB2 ARG 40 HB2 ARG 40 -32.522 14.874 -7.101 288 HB3 ARG 40 HB3 ARG 40 -30.815 15.004 -7.503 289 HG2 ARG 40 HG2 ARG 40 -32.345 16.307 -9.526 290 HG3 ARG 40 HG3 ARG 40 -32.858 16.889 -7.940 291 HD2 ARG 40 HD2 ARG 40 -30.220 16.953 -7.565 292 HD3 ARG 40 HD3 ARG 40 -30.245 17.155 -9.317 293 HE ARG 40 HE ARG 40 -30.915 19.111 -7.383 294 HH11 ARG 40 HH11 ARG 40 -31.839 17.923 -10.522 295 HH12 ARG 40 HH12 ARG 40 -32.476 19.444 -11.055 296 HH21 ARG 40 HH21 ARG 40 -31.749 21.119 -8.072 297 HH22 ARG 40 HH22 ARG 40 -32.423 21.262 -9.661 298 H CYS 41 H CYS 41 -29.956 12.374 -8.716 299 HA CYS 41 HA CYS 41 -31.431 10.313 -7.212 300 HB2 CYS 41 HB2 CYS 41 -30.829 9.299 -9.241 301 HB3 CYS 41 HB3 CYS 41 -29.259 10.095 -9.278 302 H TRP 42 H TRP 42 -30.549 9.489 -5.362 303 HA TRP 42 HA TRP 42 -28.073 10.781 -4.420 304 HB2 TRP 42 HB2 TRP 42 -30.574 9.988 -2.939 305 HB3 TRP 42 HB3 TRP 42 -29.052 10.276 -2.100 306 HD1 TRP 42 HD1 TRP 42 -31.565 12.161 -4.359 307 HE1 TRP 42 HE1 TRP 42 -31.438 14.665 -3.775 308 HE3 TRP 42 HE3 TRP 42 -27.705 12.018 -1.010 309 HZ2 TRP 42 HZ2 TRP 42 -29.904 16.355 -2.114 310 HZ3 TRP 42 HZ3 TRP 42 -26.968 14.122 0.031 311 HH2 TRP 42 HH2 TRP 42 -28.046 16.245 -0.512 312 H CYS 43 H CYS 43 -26.419 9.418 -4.402 313 HA CYS 43 HA CYS 43 -26.899 6.552 -4.115 314 HB2 CYS 43 HB2 CYS 43 -24.265 7.924 -4.662 315 HB3 CYS 43 HB3 CYS 43 -24.676 6.234 -4.937 316 H THR 44 H THR 44 -26.237 5.349 -2.412 317 HA THR 44 HA THR 44 -25.227 6.816 -0.085 318 HB THR 44 HB THR 44 -26.454 4.055 -0.237 319 HG1 THR 44 HG1 THR 44 -28.275 5.110 -0.120 320 HG21 THR 44 HG21 THR 44 -26.629 5.010 2.364 321 HG22 THR 44 HG22 THR 44 -24.997 5.442 1.854 322 HG23 THR 44 HG23 THR 44 -25.530 3.763 1.777 323 H ARG 45 H ARG 45 -23.245 6.496 0.716 324 HA ARG 45 HA ARG 45 -21.755 4.097 -0.081 325 HB2 ARG 45 HB2 ARG 45 -19.774 5.385 -0.592 326 HB3 ARG 45 HB3 ARG 45 -21.110 5.965 -1.578 327 HG2 ARG 45 HG2 ARG 45 -21.426 7.825 0.027 328 HG3 ARG 45 HG3 ARG 45 -19.991 7.270 0.892 329 HD2 ARG 45 HD2 ARG 45 -19.975 7.976 -2.033 330 HD3 ARG 45 HD3 ARG 45 -19.641 9.151 -0.761 331 HE ARG 45 HE ARG 45 -18.026 6.768 -0.628 332 HH11 ARG 45 HH11 ARG 45 -18.330 9.975 -1.949 333 HH12 ARG 45 HH12 ARG 45 -16.628 10.171 -2.208 334 HH21 ARG 45 HH21 ARG 45 -15.784 7.014 -0.964 335 HH22 ARG 45 HH22 ARG 45 -15.181 8.486 -1.648 336 H ASN 46 H ASN 46 -19.716 3.858 1.241 337 HA ASN 46 HA ASN 46 -20.395 4.069 4.010 338 HB2 ASN 46 HB2 ASN 46 -17.734 3.257 2.825 339 HB3 ASN 46 HB3 ASN 46 -18.352 2.864 4.427 340 HD21 ASN 46 HD21 ASN 46 -18.433 2.116 1.062 341 HD22 ASN 46 HD22 ASN 46 -19.380 0.676 1.188 342 H CYS 47 H CYS 47 -19.663 5.452 5.536 343 HA CYS 47 HA CYS 47 -17.410 7.186 5.062 344 HB2 CYS 47 HB2 CYS 47 -18.527 9.265 5.050 345 HB3 CYS 47 HB3 CYS 47 -19.423 8.267 3.909 Start of MODEL 4 1 H1 LYS 1 H LYS 1 -19.929 4.275 9.282 2 HA LYS 1 HA LYS 1 -22.573 5.518 9.225 3 HB2 LYS 1 HB2 LYS 1 -20.622 6.628 10.363 4 HB3 LYS 1 HB3 LYS 1 -19.884 6.821 8.778 5 HG2 LYS 1 HG2 LYS 1 -21.007 8.859 9.533 6 HG3 LYS 1 HG3 LYS 1 -21.724 8.216 8.054 7 HD2 LYS 1 HD2 LYS 1 -23.705 7.852 9.042 8 HD3 LYS 1 HD3 LYS 1 -22.958 7.189 10.497 9 HE2 LYS 1 HE2 LYS 1 -22.515 10.046 10.226 10 HE3 LYS 1 HE3 LYS 1 -24.229 9.637 10.263 11 HZ1 LYS 1 HZ1 LYS 1 -23.155 8.118 12.247 12 HZ2 LYS 1 HZ2 LYS 1 -23.985 9.576 12.460 13 HZ3 LYS 1 HZ3 LYS 1 -22.295 9.569 12.375 14 H THR 2 H THR 2 -23.152 6.906 7.392 15 HA THR 2 HA THR 2 -21.871 6.254 4.853 16 HB THR 2 HB THR 2 -24.224 5.879 3.867 17 HG1 THR 2 HG1 THR 2 -25.738 5.072 5.346 18 HG21 THR 2 HG21 THR 2 -24.161 3.444 4.534 19 HG22 THR 2 HG22 THR 2 -22.829 3.856 5.614 20 HG23 THR 2 HG23 THR 2 -22.658 4.087 3.874 21 H CYS 3 H CYS 3 -22.317 7.731 3.179 22 HA CYS 3 HA CYS 3 -23.698 10.187 4.044 23 HB2 CYS 3 HB2 CYS 3 -21.131 9.850 2.502 24 HB3 CYS 3 HB3 CYS 3 -22.053 11.350 2.455 25 H GLU 4 H GLU 4 -24.589 11.499 2.297 26 HA GLU 4 HA GLU 4 -25.366 9.860 -0.027 27 HB2 GLU 4 HB2 GLU 4 -27.105 10.581 1.841 28 HB3 GLU 4 HB3 GLU 4 -27.112 12.082 0.926 29 HG2 GLU 4 HG2 GLU 4 -28.658 11.147 -0.356 30 HG3 GLU 4 HG3 GLU 4 -27.367 10.148 -1.019 31 H ASN 5 H ASN 5 -25.090 10.711 -2.008 32 HA ASN 5 HA ASN 5 -24.617 13.582 -2.289 33 HB2 ASN 5 HB2 ASN 5 -22.596 13.236 -3.615 34 HB3 ASN 5 HB3 ASN 5 -22.393 12.549 -2.006 35 HD21 ASN 5 HD21 ASN 5 -21.453 10.652 -1.978 36 HD22 ASN 5 HD22 ASN 5 -21.518 9.459 -3.226 37 H LEU 6 H LEU 6 -24.917 14.379 -4.425 38 HA LEU 6 HA LEU 6 -26.995 13.100 -5.851 39 HB2 LEU 6 HB2 LEU 6 -25.259 15.482 -6.360 40 HB3 LEU 6 HB3 LEU 6 -26.344 14.889 -7.617 41 HG LEU 6 HG LEU 6 -27.150 15.885 -4.884 42 HD11 LEU 6 HD11 LEU 6 -27.260 17.899 -5.796 43 HD12 LEU 6 HD12 LEU 6 -28.328 17.290 -7.060 44 HD13 LEU 6 HD13 LEU 6 -26.580 17.255 -7.290 45 HD21 LEU 6 HD21 LEU 6 -28.715 14.667 -7.140 46 HD22 LEU 6 HD22 LEU 6 -29.462 15.734 -5.951 47 HD23 LEU 6 HD23 LEU 6 -28.712 14.223 -5.433 48 H SER 7 H SER 7 -26.984 11.774 -7.571 49 HA SER 7 HA SER 7 -24.707 10.310 -8.257 50 HB2 SER 7 HB2 SER 7 -27.086 9.584 -8.600 51 HB3 SER 7 HB3 SER 7 -27.167 10.675 -9.983 52 HG SER 7 HG SER 7 -26.224 9.190 -11.110 53 H ASP 8 H ASP 8 -24.215 10.079 -10.792 54 HA ASP 8 HA ASP 8 -22.815 12.474 -11.477 55 HB2 ASP 8 HB2 ASP 8 -22.364 11.090 -13.639 56 HB3 ASP 8 HB3 ASP 8 -21.661 10.557 -12.114 57 H SER 9 H SER 9 -25.220 10.596 -13.331 58 HA SER 9 HA SER 9 -26.628 13.005 -14.071 59 HB2 SER 9 HB2 SER 9 -26.228 12.962 -16.400 60 HB3 SER 9 HB3 SER 9 -24.634 12.763 -15.673 61 HG SER 9 HG SER 9 -24.604 11.110 -17.003 62 H PHE 10 H PHE 10 -27.369 10.699 -12.635 63 HA PHE 10 HA PHE 10 -28.841 8.936 -14.368 64 HB2 PHE 10 HB2 PHE 10 -27.888 8.144 -12.234 65 HB3 PHE 10 HB3 PHE 10 -28.952 9.240 -11.360 66 HD1 PHE 10 HD1 PHE 10 -31.455 8.908 -11.584 67 HD2 PHE 10 HD2 PHE 10 -28.601 6.010 -12.839 68 HE1 PHE 10 HE1 PHE 10 -33.198 7.172 -11.528 69 HE2 PHE 10 HE2 PHE 10 -30.340 4.270 -12.786 70 HZ PHE 10 HZ PHE 10 -32.642 4.850 -12.130 71 H LYS 11 H LYS 11 -30.764 9.344 -15.211 72 HA LYS 11 HA LYS 11 -32.496 11.321 -13.879 73 HB2 LYS 11 HB2 LYS 11 -31.837 10.840 -16.736 74 HB3 LYS 11 HB3 LYS 11 -33.493 11.305 -16.366 75 HG2 LYS 11 HG2 LYS 11 -32.014 13.206 -16.945 76 HG3 LYS 11 HG3 LYS 11 -32.765 13.344 -15.353 77 HD2 LYS 11 HD2 LYS 11 -30.777 12.938 -14.237 78 HD3 LYS 11 HD3 LYS 11 -30.050 12.117 -15.621 79 HE2 LYS 11 HE2 LYS 11 -28.981 14.240 -15.381 80 HE3 LYS 11 HE3 LYS 11 -30.014 14.313 -16.807 81 HZ1 LYS 11 HZ1 LYS 11 -30.373 16.301 -15.640 82 HZ2 LYS 11 HZ2 LYS 11 -30.498 15.517 -14.146 83 HZ3 LYS 11 HZ3 LYS 11 -31.726 15.345 -15.296 84 H GLY 12 H GLY 12 -34.883 10.985 -14.797 85 HA2 GLY 12 HA2 GLY 12 -36.755 9.646 -14.899 86 HA3 GLY 12 HA3 GLY 12 -35.696 8.292 -15.269 87 HA PRO 13 HA PRO 13 -37.450 8.163 -10.837 88 HB2 PRO 13 HB2 PRO 13 -39.366 6.277 -11.213 89 HB3 PRO 13 HB3 PRO 13 -39.679 8.010 -11.371 90 HG2 PRO 13 HG2 PRO 13 -39.163 5.976 -13.506 91 HG3 PRO 13 HG3 PRO 13 -40.362 7.281 -13.471 92 HD2 PRO 13 HD2 PRO 13 -38.033 7.481 -14.836 93 HD3 PRO 13 HD3 PRO 13 -38.824 8.883 -14.088 94 H CYS 14 H CYS 14 -37.987 5.835 -9.725 95 HA CYS 14 HA CYS 14 -35.564 4.299 -10.167 96 HB2 CYS 14 HB2 CYS 14 -37.577 4.541 -7.994 97 HB3 CYS 14 HB3 CYS 14 -36.742 2.997 -8.140 98 H ILE 15 H ILE 15 -35.968 3.233 -12.113 99 HA ILE 15 HA ILE 15 -38.220 1.876 -12.904 100 HB ILE 15 HB ILE 15 -36.587 0.294 -14.100 101 HG12 ILE 15 HG12 ILE 15 -34.575 2.336 -13.145 102 HG13 ILE 15 HG13 ILE 15 -34.744 0.738 -12.426 103 HG21 ILE 15 HG21 ILE 15 -35.865 2.132 -15.649 104 HG22 ILE 15 HG22 ILE 15 -37.588 2.099 -15.278 105 HG23 ILE 15 HG23 ILE 15 -36.539 3.278 -14.491 106 HD11 ILE 15 HD11 ILE 15 -33.679 1.519 -15.089 107 HD12 ILE 15 HD12 ILE 15 -33.037 0.384 -13.900 108 HD13 ILE 15 HD13 ILE 15 -34.424 -0.068 -14.891 109 HA PRO 16 HA PRO 16 -38.740 -1.675 -10.379 110 HB2 PRO 16 HB2 PRO 16 -39.542 -3.541 -12.181 111 HB3 PRO 16 HB3 PRO 16 -40.569 -2.197 -11.667 112 HG2 PRO 16 HG2 PRO 16 -38.911 -2.473 -14.144 113 HG3 PRO 16 HG3 PRO 16 -40.559 -1.843 -13.965 114 HD2 PRO 16 HD2 PRO 16 -38.398 -0.227 -14.198 115 HD3 PRO 16 HD3 PRO 16 -39.827 0.220 -13.242 116 H ASP 17 H ASP 17 -36.320 -1.545 -12.722 117 HA ASP 17 HA ASP 17 -35.032 -3.922 -11.573 118 HB2 ASP 17 HB2 ASP 17 -34.027 -4.281 -13.909 119 HB3 ASP 17 HB3 ASP 17 -35.707 -4.751 -13.669 120 H GLY 18 H GLY 18 -33.875 -2.443 -10.238 121 HA2 GLY 18 HA2 GLY 18 -31.381 -1.887 -10.484 122 HA3 GLY 18 HA3 GLY 18 -31.957 -0.721 -11.666 123 H ASN 19 H ASN 19 -33.774 0.741 -10.760 124 HA ASN 19 HA ASN 19 -34.390 2.389 -9.318 125 HB2 ASN 19 HB2 ASN 19 -33.250 0.722 -7.077 126 HB3 ASN 19 HB3 ASN 19 -34.562 1.895 -7.001 127 HD21 ASN 19 HD21 ASN 19 -33.656 -1.340 -7.730 128 HD22 ASN 19 HD22 ASN 19 -35.247 -1.952 -8.016 129 H CYS 20 H CYS 20 -31.805 2.457 -10.555 130 HA CYS 20 HA CYS 20 -29.968 3.803 -10.554 131 HB2 CYS 20 HB2 CYS 20 -31.600 5.405 -9.421 132 HB3 CYS 20 HB3 CYS 20 -30.879 4.901 -7.896 133 H ASN 21 H ASN 21 -30.473 1.314 -8.606 134 HA ASN 21 HA ASN 21 -28.295 1.574 -6.752 135 HB2 ASN 21 HB2 ASN 21 -30.288 0.185 -6.264 136 HB3 ASN 21 HB3 ASN 21 -29.833 -0.899 -7.576 137 HD21 ASN 21 HD21 ASN 21 -29.348 -2.717 -6.521 138 HD22 ASN 21 HD22 ASN 21 -28.144 -2.855 -5.289 139 H LYS 22 H LYS 22 -28.850 -0.731 -9.420 140 HA LYS 22 HA LYS 22 -26.279 -1.740 -9.575 141 HB2 LYS 22 HB2 LYS 22 -26.856 -2.257 -11.980 142 HB3 LYS 22 HB3 LYS 22 -28.007 -2.838 -10.783 143 HG2 LYS 22 HG2 LYS 22 -29.493 -0.989 -11.269 144 HG3 LYS 22 HG3 LYS 22 -28.323 -0.323 -12.411 145 HD2 LYS 22 HD2 LYS 22 -28.508 -2.599 -13.600 146 HD3 LYS 22 HD3 LYS 22 -29.975 -2.818 -12.643 147 HE2 LYS 22 HE2 LYS 22 -30.905 -1.837 -14.468 148 HE3 LYS 22 HE3 LYS 22 -30.471 -0.377 -13.580 149 HZ1 LYS 22 HZ1 LYS 22 -28.486 -0.168 -14.884 150 HZ2 LYS 22 HZ2 LYS 22 -29.805 -0.317 -15.933 151 HZ3 LYS 22 HZ3 LYS 22 -28.780 -1.637 -15.670 152 H HIS 23 H HIS 23 -27.573 1.250 -10.837 153 HA HIS 23 HA HIS 23 -25.480 1.869 -12.628 154 HB2 HIS 23 HB2 HIS 23 -27.861 2.973 -12.205 155 HB3 HIS 23 HB3 HIS 23 -26.912 4.057 -11.194 156 HD1 HIS 23 HD1 HIS 23 -25.626 5.870 -12.356 157 HD2 HIS 23 HD2 HIS 23 -27.069 2.999 -14.989 158 HE1 HIS 23 HE1 HIS 23 -25.174 6.780 -14.656 159 H CYS 24 H CYS 24 -26.125 3.303 -9.422 160 HA CYS 24 HA CYS 24 -23.563 4.480 -9.205 161 HB2 CYS 24 HB2 CYS 24 -25.823 3.975 -7.304 162 HB3 CYS 24 HB3 CYS 24 -24.269 4.514 -6.676 163 H LYS 25 H LYS 25 -24.582 1.283 -8.876 164 HA LYS 25 HA LYS 25 -22.452 0.550 -7.019 165 HB2 LYS 25 HB2 LYS 25 -24.780 -0.916 -8.223 166 HB3 LYS 25 HB3 LYS 25 -23.458 -1.801 -7.474 167 HG2 LYS 25 HG2 LYS 25 -23.881 -0.263 -5.446 168 HG3 LYS 25 HG3 LYS 25 -25.438 0.052 -6.217 169 HD2 LYS 25 HD2 LYS 25 -25.934 -1.732 -4.829 170 HD3 LYS 25 HD3 LYS 25 -25.593 -2.540 -6.361 171 HE2 LYS 25 HE2 LYS 25 -23.261 -2.109 -4.622 172 HE3 LYS 25 HE3 LYS 25 -24.476 -3.215 -3.984 173 HZ1 LYS 25 HZ1 LYS 25 -23.889 -4.775 -5.433 174 HZ2 LYS 25 HZ2 LYS 25 -22.517 -3.845 -5.767 175 HZ3 LYS 25 HZ3 LYS 25 -23.892 -3.703 -6.741 176 H GLU 26 H GLU 26 -23.158 0.581 -10.396 177 HA GLU 26 HA GLU 26 -20.957 -1.244 -11.003 178 HB2 GLU 26 HB2 GLU 26 -23.169 -0.029 -12.631 179 HB3 GLU 26 HB3 GLU 26 -21.762 -0.732 -13.416 180 HG2 GLU 26 HG2 GLU 26 -22.218 -2.863 -12.285 181 HG3 GLU 26 HG3 GLU 26 -23.657 -2.151 -11.558 182 H LYS 27 H LYS 27 -21.656 2.097 -10.799 183 HA LYS 27 HA LYS 27 -19.285 2.789 -12.391 184 HB2 LYS 27 HB2 LYS 27 -21.434 4.632 -11.333 185 HB3 LYS 27 HB3 LYS 27 -20.153 5.050 -12.464 186 HG2 LYS 27 HG2 LYS 27 -21.282 3.068 -13.842 187 HG3 LYS 27 HG3 LYS 27 -22.688 3.599 -12.915 188 HD2 LYS 27 HD2 LYS 27 -20.971 5.264 -14.751 189 HD3 LYS 27 HD3 LYS 27 -22.656 4.799 -14.991 190 HE2 LYS 27 HE2 LYS 27 -23.063 6.847 -14.140 191 HE3 LYS 27 HE3 LYS 27 -22.835 6.024 -12.598 192 HZ1 LYS 27 HZ1 LYS 27 -20.314 6.744 -13.444 193 HZ2 LYS 27 HZ2 LYS 27 -21.210 7.456 -12.199 194 HZ3 LYS 27 HZ3 LYS 27 -21.285 8.092 -13.765 195 H GLU 28 H GLU 28 -20.848 4.242 -9.537 196 HA GLU 28 HA GLU 28 -18.264 4.946 -8.450 197 HB2 GLU 28 HB2 GLU 28 -21.109 5.507 -7.717 198 HB3 GLU 28 HB3 GLU 28 -19.857 5.729 -6.503 199 HG2 GLU 28 HG2 GLU 28 -19.600 6.981 -9.205 200 HG3 GLU 28 HG3 GLU 28 -20.576 7.735 -7.946 201 H HIS 29 H HIS 29 -20.194 2.232 -8.361 202 HA HIS 29 HA HIS 29 -20.327 0.385 -7.028 203 HB2 HIS 29 HB2 HIS 29 -17.491 1.303 -6.575 204 HB3 HIS 29 HB3 HIS 29 -18.113 -0.189 -5.875 205 HD1 HIS 29 HD1 HIS 29 -18.301 -2.204 -7.394 206 HD2 HIS 29 HD2 HIS 29 -17.298 1.279 -9.427 207 HE1 HIS 29 HE1 HIS 29 -17.672 -2.938 -9.716 208 H LEU 30 H LEU 30 -21.617 2.459 -5.862 209 HA LEU 30 HA LEU 30 -20.712 2.710 -3.110 210 HB2 LEU 30 HB2 LEU 30 -23.178 3.817 -4.444 211 HB3 LEU 30 HB3 LEU 30 -22.583 4.240 -2.840 212 HG LEU 30 HG LEU 30 -21.333 4.914 -5.498 213 HD11 LEU 30 HD11 LEU 30 -21.635 7.140 -3.804 214 HD12 LEU 30 HD12 LEU 30 -23.156 6.250 -3.750 215 HD13 LEU 30 HD13 LEU 30 -22.503 6.784 -5.298 216 HD21 LEU 30 HD21 LEU 30 -19.861 6.251 -3.663 217 HD22 LEU 30 HD22 LEU 30 -19.385 4.717 -4.391 218 HD23 LEU 30 HD23 LEU 30 -20.162 4.739 -2.807 219 H LEU 31 H LEU 31 -22.973 2.786 -1.648 220 HA LEU 31 HA LEU 31 -23.599 0.010 -1.347 221 HB2 LEU 31 HB2 LEU 31 -24.569 2.495 0.045 222 HB3 LEU 31 HB3 LEU 31 -25.134 0.879 0.464 223 HG LEU 31 HG LEU 31 -22.261 1.785 0.627 224 HD11 LEU 31 HD11 LEU 31 -24.243 2.660 2.247 225 HD12 LEU 31 HD12 LEU 31 -22.568 2.444 2.752 226 HD13 LEU 31 HD13 LEU 31 -23.757 1.185 3.083 227 HD21 LEU 31 HD21 LEU 31 -21.925 -0.270 1.872 228 HD22 LEU 31 HD22 LEU 31 -22.572 -0.626 0.270 229 HD23 LEU 31 HD23 LEU 31 -23.628 -0.688 1.683 230 H SER 32 H SER 32 -25.561 2.892 -2.088 231 HA SER 32 HA SER 32 -27.185 1.445 -3.943 232 HB2 SER 32 HB2 SER 32 -29.294 1.545 -2.767 233 HB3 SER 32 HB3 SER 32 -28.134 0.687 -1.753 234 HG SER 32 HG SER 32 -29.392 2.302 -0.636 235 H GLY 33 H GLY 33 -29.348 2.967 -4.236 236 HA2 GLY 33 HA2 GLY 33 -28.735 5.780 -3.998 237 HA3 GLY 33 HA3 GLY 33 -28.621 5.165 -5.641 238 H ARG 34 H ARG 34 -30.577 6.841 -3.736 239 HA ARG 34 HA ARG 34 -33.070 5.547 -4.553 240 HB2 ARG 34 HB2 ARG 34 -32.800 8.031 -2.867 241 HB3 ARG 34 HB3 ARG 34 -34.178 6.945 -2.984 242 HG2 ARG 34 HG2 ARG 34 -32.949 5.203 -1.845 243 HG3 ARG 34 HG3 ARG 34 -31.506 6.218 -1.803 244 HD2 ARG 34 HD2 ARG 34 -32.214 6.915 0.193 245 HD3 ARG 34 HD3 ARG 34 -33.457 7.814 -0.676 246 HE ARG 34 HE ARG 34 -34.459 5.270 -0.341 247 HH11 ARG 34 HH11 ARG 34 -33.361 7.854 1.717 248 HH12 ARG 34 HH12 ARG 34 -34.417 7.436 3.026 249 HH21 ARG 34 HH21 ARG 34 -35.854 4.709 1.374 250 HH22 ARG 34 HH22 ARG 34 -35.835 5.646 2.830 251 H CYS 35 H CYS 35 -34.764 6.799 -5.563 252 HA CYS 35 HA CYS 35 -33.710 8.983 -7.239 253 HB2 CYS 35 HB2 CYS 35 -36.041 7.355 -8.143 254 HB3 CYS 35 HB3 CYS 35 -34.799 8.161 -9.096 255 H ARG 36 H ARG 36 -34.649 10.890 -6.959 256 HA ARG 36 HA ARG 36 -37.243 10.989 -5.584 257 HB2 ARG 36 HB2 ARG 36 -35.148 13.144 -5.920 258 HB3 ARG 36 HB3 ARG 36 -36.654 13.313 -5.027 259 HG2 ARG 36 HG2 ARG 36 -34.460 11.364 -4.354 260 HG3 ARG 36 HG3 ARG 36 -34.709 12.927 -3.573 261 HD2 ARG 36 HD2 ARG 36 -37.178 11.835 -3.343 262 HD3 ARG 36 HD3 ARG 36 -36.168 10.393 -3.256 263 HE ARG 36 HE ARG 36 -35.023 12.198 -1.530 264 HH11 ARG 36 HH11 ARG 36 -38.132 10.669 -1.872 265 HH12 ARG 36 HH12 ARG 36 -38.475 10.692 -0.174 266 HH21 ARG 36 HH21 ARG 36 -35.464 12.234 0.708 267 HH22 ARG 36 HH22 ARG 36 -36.957 11.583 1.292 268 H ASP 37 H ASP 37 -38.550 13.023 -6.195 269 HA ASP 37 HA ASP 37 -39.131 12.832 -9.002 270 HB2 ASP 37 HB2 ASP 37 -40.836 13.105 -7.126 271 HB3 ASP 37 HB3 ASP 37 -40.341 14.794 -7.056 272 H ASP 38 H ASP 38 -36.878 14.548 -7.318 273 HA ASP 38 HA ASP 38 -37.066 17.036 -8.776 274 HB2 ASP 38 HB2 ASP 38 -35.102 17.707 -7.544 275 HB3 ASP 38 HB3 ASP 38 -36.216 16.916 -6.432 276 H PHE 39 H PHE 39 -36.499 14.245 -9.996 277 HA PHE 39 HA PHE 39 -35.346 13.419 -11.773 278 HB2 PHE 39 HB2 PHE 39 -35.141 16.363 -12.112 279 HB3 PHE 39 HB3 PHE 39 -34.042 15.376 -13.070 280 HD1 PHE 39 HD2 PHE 39 -37.584 16.101 -12.375 281 HD2 PHE 39 HD1 PHE 39 -34.813 14.110 -14.918 282 HE1 PHE 39 HE2 PHE 39 -39.381 15.691 -14.005 283 HE2 PHE 39 HE1 PHE 39 -36.605 13.697 -16.553 284 HZ PHE 39 HZ PHE 39 -38.892 14.487 -16.097 285 H ARG 40 H ARG 40 -34.049 13.865 -9.090 286 HA ARG 40 HA ARG 40 -31.270 13.529 -10.002 287 HB2 ARG 40 HB2 ARG 40 -32.199 14.950 -7.499 288 HB3 ARG 40 HB3 ARG 40 -30.523 14.599 -7.897 289 HG2 ARG 40 HG2 ARG 40 -31.744 15.965 -10.088 290 HG3 ARG 40 HG3 ARG 40 -32.036 16.860 -8.595 291 HD2 ARG 40 HD2 ARG 40 -29.426 16.216 -8.295 292 HD3 ARG 40 HD3 ARG 40 -29.526 16.359 -10.049 293 HE ARG 40 HE ARG 40 -29.621 18.614 -9.778 294 HH11 ARG 40 HH11 ARG 40 -30.744 17.112 -6.845 295 HH12 ARG 40 HH12 ARG 40 -30.946 18.612 -6.000 296 HH21 ARG 40 HH21 ARG 40 -29.882 20.594 -8.677 297 HH22 ARG 40 HH22 ARG 40 -30.456 20.592 -7.043 298 H CYS 41 H CYS 41 -30.101 11.904 -9.055 299 HA CYS 41 HA CYS 41 -31.584 10.167 -7.192 300 HB2 CYS 41 HB2 CYS 41 -31.314 8.977 -9.228 301 HB3 CYS 41 HB3 CYS 41 -29.642 9.499 -9.399 302 H TRP 42 H TRP 42 -30.781 10.063 -5.212 303 HA TRP 42 HA TRP 42 -28.044 10.957 -4.726 304 HB2 TRP 42 HB2 TRP 42 -30.422 10.491 -2.933 305 HB3 TRP 42 HB3 TRP 42 -28.806 10.754 -2.283 306 HD1 TRP 42 HD1 TRP 42 -31.359 12.581 -4.559 307 HE1 TRP 42 HE1 TRP 42 -31.050 15.114 -4.220 308 HE3 TRP 42 HE3 TRP 42 -27.345 12.493 -1.394 309 HZ2 TRP 42 HZ2 TRP 42 -29.332 16.845 -2.799 310 HZ3 TRP 42 HZ3 TRP 42 -26.429 14.631 -0.591 311 HH2 TRP 42 HH2 TRP 42 -27.403 16.761 -1.281 312 H CYS 43 H CYS 43 -26.436 9.568 -4.449 313 HA CYS 43 HA CYS 43 -27.069 6.748 -3.969 314 HB2 CYS 43 HB2 CYS 43 -24.404 7.929 -4.763 315 HB3 CYS 43 HB3 CYS 43 -24.891 6.239 -4.839 316 H THR 44 H THR 44 -26.412 5.663 -2.191 317 HA THR 44 HA THR 44 -25.195 7.255 -0.052 318 HB THR 44 HB THR 44 -26.642 4.602 0.073 319 HG1 THR 44 HG1 THR 44 -28.133 6.046 1.309 320 HG21 THR 44 HG21 THR 44 -26.559 5.654 2.619 321 HG22 THR 44 HG22 THR 44 -24.946 5.997 1.993 322 HG23 THR 44 HG23 THR 44 -25.551 4.341 2.013 323 H ARG 45 H ARG 45 -23.214 6.849 0.723 324 HA ARG 45 HA ARG 45 -21.919 4.301 0.064 325 HB2 ARG 45 HB2 ARG 45 -19.914 5.360 -0.692 326 HB3 ARG 45 HB3 ARG 45 -21.250 6.067 -1.590 327 HG2 ARG 45 HG2 ARG 45 -21.208 8.023 -0.145 328 HG3 ARG 45 HG3 ARG 45 -19.896 7.310 0.794 329 HD2 ARG 45 HD2 ARG 45 -19.738 7.904 -2.156 330 HD3 ARG 45 HD3 ARG 45 -19.166 8.998 -0.897 331 HE ARG 45 HE ARG 45 -18.059 6.342 -0.753 332 HH11 ARG 45 HH11 ARG 45 -17.726 9.536 -2.096 333 HH12 ARG 45 HH12 ARG 45 -16.021 9.387 -2.366 334 HH21 ARG 45 HH21 ARG 45 -15.814 6.133 -1.103 335 HH22 ARG 45 HH22 ARG 45 -14.935 7.450 -1.801 336 H ASN 46 H ASN 46 -19.851 4.021 1.324 337 HA ASN 46 HA ASN 46 -20.389 4.511 4.089 338 HB2 ASN 46 HB2 ASN 46 -17.851 3.405 2.874 339 HB3 ASN 46 HB3 ASN 46 -18.417 3.197 4.529 340 HD21 ASN 46 HD21 ASN 46 -18.762 2.206 1.234 341 HD22 ASN 46 HD22 ASN 46 -19.783 0.845 1.532 342 H CYS 47 H CYS 47 -19.506 5.966 5.456 343 HA CYS 47 HA CYS 47 -17.151 7.474 4.760 344 HB2 CYS 47 HB2 CYS 47 -18.107 9.620 4.581 345 HB3 CYS 47 HB3 CYS 47 -19.130 8.597 3.577 Start of MODEL 5 1 H1 LYS 1 H LYS 1 -19.631 4.293 9.464 2 HA LYS 1 HA LYS 1 -22.297 5.466 9.386 3 HB2 LYS 1 HB2 LYS 1 -20.358 6.611 10.507 4 HB3 LYS 1 HB3 LYS 1 -19.637 6.821 8.917 5 HG2 LYS 1 HG2 LYS 1 -20.793 8.835 9.691 6 HG3 LYS 1 HG3 LYS 1 -21.505 8.186 8.212 7 HD2 LYS 1 HD2 LYS 1 -23.312 7.194 9.467 8 HD3 LYS 1 HD3 LYS 1 -22.565 7.678 10.992 9 HE2 LYS 1 HE2 LYS 1 -22.755 10.064 10.170 10 HE3 LYS 1 HE3 LYS 1 -23.769 9.441 8.869 11 HZ1 LYS 1 HZ1 LYS 1 -25.495 9.395 10.233 12 HZ2 LYS 1 HZ2 LYS 1 -24.556 10.127 11.433 13 HZ3 LYS 1 HZ3 LYS 1 -24.663 8.441 11.355 14 H THR 2 H THR 2 -22.930 6.842 7.566 15 HA THR 2 HA THR 2 -21.661 6.237 5.010 16 HB THR 2 HB THR 2 -24.008 5.796 4.045 17 HG1 THR 2 HG1 THR 2 -25.493 5.951 5.558 18 HG21 THR 2 HG21 THR 2 -22.520 3.822 5.765 19 HG22 THR 2 HG22 THR 2 -22.421 4.038 4.018 20 HG23 THR 2 HG23 THR 2 -23.878 3.359 4.742 21 H CYS 3 H CYS 3 -22.172 7.706 3.347 22 HA CYS 3 HA CYS 3 -23.593 10.126 4.248 23 HB2 CYS 3 HB2 CYS 3 -21.059 9.840 2.644 24 HB3 CYS 3 HB3 CYS 3 -22.019 11.316 2.598 25 H GLU 4 H GLU 4 -24.535 11.432 2.508 26 HA GLU 4 HA GLU 4 -25.358 9.769 0.217 27 HB2 GLU 4 HB2 GLU 4 -27.056 10.469 2.131 28 HB3 GLU 4 HB3 GLU 4 -27.112 11.967 1.213 29 HG2 GLU 4 HG2 GLU 4 -28.633 11.029 -0.085 30 HG3 GLU 4 HG3 GLU 4 -27.376 9.950 -0.687 31 H ASN 5 H ASN 5 -25.133 10.612 -1.771 32 HA ASN 5 HA ASN 5 -24.757 13.490 -2.092 33 HB2 ASN 5 HB2 ASN 5 -22.721 13.218 -3.402 34 HB3 ASN 5 HB3 ASN 5 -22.491 12.539 -1.794 35 HD21 ASN 5 HD21 ASN 5 -23.134 11.752 -5.152 36 HD22 ASN 5 HD22 ASN 5 -22.511 10.142 -5.088 37 H LEU 6 H LEU 6 -25.087 14.240 -4.241 38 HA LEU 6 HA LEU 6 -27.112 12.855 -5.645 39 HB2 LEU 6 HB2 LEU 6 -25.442 15.266 -6.288 40 HB3 LEU 6 HB3 LEU 6 -26.639 14.634 -7.416 41 HG LEU 6 HG LEU 6 -27.199 15.682 -4.642 42 HD11 LEU 6 HD11 LEU 6 -28.430 16.986 -6.943 43 HD12 LEU 6 HD12 LEU 6 -26.672 17.125 -6.907 44 HD13 LEU 6 HD13 LEU 6 -27.629 17.683 -5.535 45 HD21 LEU 6 HD21 LEU 6 -29.590 15.535 -5.503 46 HD22 LEU 6 HD22 LEU 6 -28.807 14.021 -5.051 47 HD23 LEU 6 HD23 LEU 6 -28.955 14.463 -6.752 48 H SER 7 H SER 7 -27.042 11.487 -7.326 49 HA SER 7 HA SER 7 -24.718 10.105 -7.995 50 HB2 SER 7 HB2 SER 7 -27.214 9.479 -8.372 51 HB3 SER 7 HB3 SER 7 -27.025 10.317 -9.912 52 HG SER 7 HG SER 7 -25.745 8.768 -10.618 53 H ASP 8 H ASP 8 -24.098 9.864 -10.458 54 HA ASP 8 HA ASP 8 -22.786 12.275 -11.175 55 HB2 ASP 8 HB2 ASP 8 -22.306 10.908 -13.334 56 HB3 ASP 8 HB3 ASP 8 -21.616 10.362 -11.808 57 H SER 9 H SER 9 -25.201 10.381 -12.998 58 HA SER 9 HA SER 9 -26.607 12.785 -13.756 59 HB2 SER 9 HB2 SER 9 -26.299 12.575 -16.142 60 HB3 SER 9 HB3 SER 9 -24.707 12.658 -15.387 61 HG SER 9 HG SER 9 -25.974 10.523 -16.656 62 H PHE 10 H PHE 10 -27.627 10.840 -12.261 63 HA PHE 10 HA PHE 10 -28.977 8.870 -13.900 64 HB2 PHE 10 HB2 PHE 10 -28.152 8.348 -11.600 65 HB3 PHE 10 HB3 PHE 10 -29.350 9.467 -10.959 66 HD1 PHE 10 HD1 PHE 10 -31.718 8.923 -11.015 67 HD2 PHE 10 HD2 PHE 10 -28.786 6.195 -12.458 68 HE1 PHE 10 HE1 PHE 10 -33.384 7.114 -10.969 69 HE2 PHE 10 HE2 PHE 10 -30.448 4.381 -12.415 70 HZ PHE 10 HZ PHE 10 -32.751 4.839 -11.671 71 H LYS 11 H LYS 11 -30.690 9.447 -15.053 72 HA LYS 11 HA LYS 11 -32.622 11.320 -13.852 73 HB2 LYS 11 HB2 LYS 11 -31.446 11.214 -16.581 74 HB3 LYS 11 HB3 LYS 11 -33.146 11.648 -16.456 75 HG2 LYS 11 HG2 LYS 11 -31.592 13.585 -16.500 76 HG3 LYS 11 HG3 LYS 11 -32.640 13.531 -15.081 77 HD2 LYS 11 HD2 LYS 11 -30.915 13.096 -13.655 78 HD3 LYS 11 HD3 LYS 11 -29.984 12.222 -14.873 79 HE2 LYS 11 HE2 LYS 11 -30.383 15.093 -15.393 80 HE3 LYS 11 HE3 LYS 11 -29.385 14.708 -13.992 81 HZ1 LYS 11 HZ1 LYS 11 -28.617 13.068 -16.138 82 HZ2 LYS 11 HZ2 LYS 11 -27.708 14.249 -15.338 83 HZ3 LYS 11 HZ3 LYS 11 -28.649 14.671 -16.678 84 H GLY 12 H GLY 12 -34.727 11.118 -15.484 85 HA2 GLY 12 HA2 GLY 12 -36.354 9.693 -16.379 86 HA3 GLY 12 HA3 GLY 12 -35.327 8.318 -16.000 87 HA PRO 13 HA PRO 13 -38.844 8.953 -12.852 88 HB2 PRO 13 HB2 PRO 13 -40.472 6.939 -13.668 89 HB3 PRO 13 HB3 PRO 13 -40.610 8.593 -14.277 90 HG2 PRO 13 HG2 PRO 13 -39.287 6.218 -15.529 91 HG3 PRO 13 HG3 PRO 13 -40.322 7.446 -16.279 92 HD2 PRO 13 HD2 PRO 13 -37.623 7.495 -16.483 93 HD3 PRO 13 HD3 PRO 13 -38.604 8.974 -16.446 94 H CYS 14 H CYS 14 -36.545 6.757 -13.798 95 HA CYS 14 HA CYS 14 -35.418 5.140 -12.649 96 HB2 CYS 14 HB2 CYS 14 -36.347 6.619 -10.643 97 HB3 CYS 14 HB3 CYS 14 -37.321 5.181 -10.354 98 H ILE 15 H ILE 15 -35.530 2.903 -12.444 99 HA ILE 15 HA ILE 15 -38.137 1.741 -13.162 100 HB ILE 15 HB ILE 15 -36.707 -0.236 -13.925 101 HG12 ILE 15 HG12 ILE 15 -34.557 1.890 -13.795 102 HG13 ILE 15 HG13 ILE 15 -34.637 0.453 -12.782 103 HG21 ILE 15 HG21 ILE 15 -36.124 2.193 -15.560 104 HG22 ILE 15 HG22 ILE 15 -36.646 0.590 -16.076 105 HG23 ILE 15 HG23 ILE 15 -37.794 1.687 -15.308 106 HD11 ILE 15 HD11 ILE 15 -33.227 -0.365 -14.323 107 HD12 ILE 15 HD12 ILE 15 -34.714 -0.679 -15.219 108 HD13 ILE 15 HD13 ILE 15 -33.761 0.763 -15.568 109 HA PRO 16 HA PRO 16 -38.308 -0.632 -9.474 110 HB2 PRO 16 HB2 PRO 16 -39.384 -2.962 -10.358 111 HB3 PRO 16 HB3 PRO 16 -40.313 -1.463 -10.228 112 HG2 PRO 16 HG2 PRO 16 -39.041 -2.701 -12.639 113 HG3 PRO 16 HG3 PRO 16 -40.639 -1.949 -12.479 114 HD2 PRO 16 HD2 PRO 16 -38.523 -0.657 -13.567 115 HD3 PRO 16 HD3 PRO 16 -39.790 0.187 -12.653 116 H ASP 17 H ASP 17 -37.154 -2.610 -12.211 117 HA ASP 17 HA ASP 17 -35.834 -4.581 -10.812 118 HB2 ASP 17 HB2 ASP 17 -34.396 -4.834 -12.822 119 HB3 ASP 17 HB3 ASP 17 -36.108 -4.700 -13.217 120 H GLY 18 H GLY 18 -34.578 -1.414 -11.817 121 HA2 GLY 18 HA2 GLY 18 -32.456 -1.736 -9.794 122 HA3 GLY 18 HA3 GLY 18 -32.072 -1.152 -11.407 123 H ASN 19 H ASN 19 -33.538 -0.387 -8.343 124 HA ASN 19 HA ASN 19 -34.446 2.219 -9.101 125 HB2 ASN 19 HB2 ASN 19 -35.312 0.781 -7.166 126 HB3 ASN 19 HB3 ASN 19 -33.882 1.307 -6.283 127 HD21 ASN 19 HD21 ASN 19 -36.799 2.408 -7.894 128 HD22 ASN 19 HD22 ASN 19 -36.950 3.887 -7.014 129 H CYS 20 H CYS 20 -32.130 2.456 -10.123 130 HA CYS 20 HA CYS 20 -30.233 3.709 -10.191 131 HB2 CYS 20 HB2 CYS 20 -31.759 5.365 -9.016 132 HB3 CYS 20 HB3 CYS 20 -31.034 4.828 -7.504 133 H ASN 21 H ASN 21 -30.623 1.162 -8.409 134 HA ASN 21 HA ASN 21 -28.464 1.363 -6.521 135 HB2 ASN 21 HB2 ASN 21 -30.267 -0.114 -5.962 136 HB3 ASN 21 HB3 ASN 21 -30.121 -0.967 -7.495 137 HD21 ASN 21 HD21 ASN 21 -29.306 -2.903 -7.232 138 HD22 ASN 21 HD22 ASN 21 -28.055 -3.346 -6.126 139 H LYS 22 H LYS 22 -28.955 -0.708 -9.387 140 HA LYS 22 HA LYS 22 -26.333 -1.629 -9.578 141 HB2 LYS 22 HB2 LYS 22 -26.890 -2.398 -11.756 142 HB3 LYS 22 HB3 LYS 22 -28.363 -2.508 -10.802 143 HG2 LYS 22 HG2 LYS 22 -29.133 -0.389 -11.787 144 HG3 LYS 22 HG3 LYS 22 -27.677 -0.346 -12.784 145 HD2 LYS 22 HD2 LYS 22 -28.836 -2.897 -13.126 146 HD3 LYS 22 HD3 LYS 22 -30.143 -1.718 -13.252 147 HE2 LYS 22 HE2 LYS 22 -27.584 -1.216 -14.700 148 HE3 LYS 22 HE3 LYS 22 -28.725 -2.390 -15.356 149 HZ1 LYS 22 HZ1 LYS 22 -29.008 0.512 -15.060 150 HZ2 LYS 22 HZ2 LYS 22 -30.400 -0.443 -14.954 151 HZ3 LYS 22 HZ3 LYS 22 -29.449 -0.487 -16.352 152 H HIS 23 H HIS 23 -27.768 1.369 -10.628 153 HA HIS 23 HA HIS 23 -25.730 2.171 -12.421 154 HB2 HIS 23 HB2 HIS 23 -28.159 3.136 -11.921 155 HB3 HIS 23 HB3 HIS 23 -27.248 4.216 -10.870 156 HD1 HIS 23 HD1 HIS 23 -27.731 3.334 -14.484 157 HD2 HIS 23 HD2 HIS 23 -25.735 6.150 -12.172 158 HE1 HIS 23 HE1 HIS 23 -26.930 5.086 -16.101 159 H CYS 24 H CYS 24 -26.411 3.379 -9.131 160 HA CYS 24 HA CYS 24 -23.971 4.740 -8.843 161 HB2 CYS 24 HB2 CYS 24 -25.931 3.673 -6.810 162 HB3 CYS 24 HB3 CYS 24 -24.516 4.622 -6.364 163 H LYS 25 H LYS 25 -24.703 1.416 -8.709 164 HA LYS 25 HA LYS 25 -22.368 0.748 -7.097 165 HB2 LYS 25 HB2 LYS 25 -24.616 -0.859 -8.287 166 HB3 LYS 25 HB3 LYS 25 -23.179 -1.642 -7.642 167 HG2 LYS 25 HG2 LYS 25 -23.644 -0.345 -5.496 168 HG3 LYS 25 HG3 LYS 25 -25.235 -0.017 -6.187 169 HD2 LYS 25 HD2 LYS 25 -25.722 -1.936 -5.056 170 HD3 LYS 25 HD3 LYS 25 -25.183 -2.643 -6.581 171 HE2 LYS 25 HE2 LYS 25 -22.867 -2.258 -5.050 172 HE3 LYS 25 HE3 LYS 25 -24.070 -2.914 -3.941 173 HZ1 LYS 25 HZ1 LYS 25 -23.954 -4.230 -6.511 174 HZ2 LYS 25 HZ2 LYS 25 -24.043 -4.893 -4.957 175 HZ3 LYS 25 HZ3 LYS 25 -22.551 -4.395 -5.579 176 H GLU 26 H GLU 26 -23.339 0.957 -10.405 177 HA GLU 26 HA GLU 26 -21.041 -0.596 -11.319 178 HB2 GLU 26 HB2 GLU 26 -23.464 0.550 -12.667 179 HB3 GLU 26 HB3 GLU 26 -22.064 0.073 -13.617 180 HG2 GLU 26 HG2 GLU 26 -22.228 -2.194 -12.698 181 HG3 GLU 26 HG3 GLU 26 -23.656 -1.709 -11.786 182 H LYS 27 H LYS 27 -21.964 2.637 -10.736 183 HA LYS 27 HA LYS 27 -19.822 3.682 -12.450 184 HB2 LYS 27 HB2 LYS 27 -21.995 5.175 -10.969 185 HB3 LYS 27 HB3 LYS 27 -20.832 5.881 -12.084 186 HG2 LYS 27 HG2 LYS 27 -21.875 4.061 -13.713 187 HG3 LYS 27 HG3 LYS 27 -23.254 4.269 -12.631 188 HD2 LYS 27 HD2 LYS 27 -23.718 6.312 -13.436 189 HD3 LYS 27 HD3 LYS 27 -22.018 6.786 -13.464 190 HE2 LYS 27 HE2 LYS 27 -23.085 6.726 -15.709 191 HE3 LYS 27 HE3 LYS 27 -21.679 5.674 -15.559 192 HZ1 LYS 27 HZ1 LYS 27 -24.087 4.314 -14.877 193 HZ2 LYS 27 HZ2 LYS 27 -22.910 3.902 -16.019 194 HZ3 LYS 27 HZ3 LYS 27 -24.168 4.951 -16.443 195 H GLU 28 H GLU 28 -21.123 4.798 -9.334 196 HA GLU 28 HA GLU 28 -18.446 5.440 -8.438 197 HB2 GLU 28 HB2 GLU 28 -21.213 5.986 -7.471 198 HB3 GLU 28 HB3 GLU 28 -19.902 6.049 -6.301 199 HG2 GLU 28 HG2 GLU 28 -18.948 7.892 -7.251 200 HG3 GLU 28 HG3 GLU 28 -19.586 7.532 -8.854 201 H HIS 29 H HIS 29 -20.364 2.723 -8.385 202 HA HIS 29 HA HIS 29 -20.377 0.778 -7.195 203 HB2 HIS 29 HB2 HIS 29 -17.530 1.701 -6.824 204 HB3 HIS 29 HB3 HIS 29 -18.099 0.140 -6.240 205 HD1 HIS 29 HD1 HIS 29 -18.512 -1.696 -7.978 206 HD2 HIS 29 HD2 HIS 29 -17.320 1.926 -9.629 207 HE1 HIS 29 HE1 HIS 29 -17.956 -2.201 -10.378 208 H LEU 30 H LEU 30 -21.620 2.737 -5.803 209 HA LEU 30 HA LEU 30 -20.548 2.795 -3.098 210 HB2 LEU 30 HB2 LEU 30 -23.101 3.973 -4.184 211 HB3 LEU 30 HB3 LEU 30 -22.394 4.290 -2.601 212 HG LEU 30 HG LEU 30 -21.349 5.160 -5.290 213 HD11 LEU 30 HD11 LEU 30 -22.364 7.082 -4.859 214 HD12 LEU 30 HD12 LEU 30 -21.574 7.193 -3.287 215 HD13 LEU 30 HD13 LEU 30 -23.108 6.338 -3.444 216 HD21 LEU 30 HD21 LEU 30 -19.762 6.363 -3.419 217 HD22 LEU 30 HD22 LEU 30 -19.312 4.957 -4.385 218 HD23 LEU 30 HD23 LEU 30 -19.953 4.739 -2.756 219 H LEU 31 H LEU 31 -22.713 2.736 -1.500 220 HA LEU 31 HA LEU 31 -23.278 -0.046 -1.315 221 HB2 LEU 31 HB2 LEU 31 -24.318 2.350 0.178 222 HB3 LEU 31 HB3 LEU 31 -24.808 0.698 0.551 223 HG LEU 31 HG LEU 31 -21.964 1.692 0.680 224 HD11 LEU 31 HD11 LEU 31 -23.093 1.044 3.222 225 HD12 LEU 31 HD12 LEU 31 -24.096 2.258 2.429 226 HD13 LEU 31 HD13 LEU 31 -22.376 2.560 2.676 227 HD21 LEU 31 HD21 LEU 31 -22.354 -0.754 0.300 228 HD22 LEU 31 HD22 LEU 31 -23.196 -0.795 1.849 229 HD23 LEU 31 HD23 LEU 31 -21.487 -0.362 1.785 230 H SER 32 H SER 32 -25.349 2.786 -1.939 231 HA SER 32 HA SER 32 -26.954 1.339 -3.808 232 HB2 SER 32 HB2 SER 32 -29.000 1.192 -2.622 233 HB3 SER 32 HB3 SER 32 -27.783 0.562 -1.513 234 HG SER 32 HG SER 32 -29.300 2.874 -1.363 235 H GLY 33 H GLY 33 -29.148 2.781 -4.076 236 HA2 GLY 33 HA2 GLY 33 -28.617 5.613 -3.758 237 HA3 GLY 33 HA3 GLY 33 -28.544 5.036 -5.416 238 H ARG 34 H ARG 34 -30.472 6.643 -3.447 239 HA ARG 34 HA ARG 34 -32.959 5.294 -4.203 240 HB2 ARG 34 HB2 ARG 34 -32.730 7.747 -2.471 241 HB3 ARG 34 HB3 ARG 34 -34.048 6.586 -2.548 242 HG2 ARG 34 HG2 ARG 34 -32.262 4.897 -1.711 243 HG3 ARG 34 HG3 ARG 34 -31.394 6.348 -1.208 244 HD2 ARG 34 HD2 ARG 34 -33.456 7.060 0.012 245 HD3 ARG 34 HD3 ARG 34 -34.158 5.488 -0.370 246 HE ARG 34 HE ARG 34 -32.190 6.062 1.636 247 HH11 ARG 34 HH11 ARG 34 -33.467 3.612 -0.482 248 HH12 ARG 34 HH12 ARG 34 -32.932 2.294 0.506 249 HH21 ARG 34 HH21 ARG 34 -31.481 4.335 2.946 250 HH22 ARG 34 HH22 ARG 34 -31.804 2.706 2.457 251 H CYS 35 H CYS 35 -34.540 6.264 -5.442 252 HA CYS 35 HA CYS 35 -33.606 8.435 -7.150 253 HB2 CYS 35 HB2 CYS 35 -36.210 6.955 -7.455 254 HB3 CYS 35 HB3 CYS 35 -35.268 7.783 -8.691 255 H ARG 36 H ARG 36 -34.918 10.279 -7.618 256 HA ARG 36 HA ARG 36 -36.959 10.898 -5.596 257 HB2 ARG 36 HB2 ARG 36 -34.805 12.819 -6.495 258 HB3 ARG 36 HB3 ARG 36 -36.065 13.137 -5.309 259 HG2 ARG 36 HG2 ARG 36 -34.734 10.844 -4.410 260 HG3 ARG 36 HG3 ARG 36 -33.477 11.961 -4.947 261 HD2 ARG 36 HD2 ARG 36 -33.713 12.810 -2.872 262 HD3 ARG 36 HD3 ARG 36 -35.080 13.655 -3.596 263 HE ARG 36 HE ARG 36 -35.837 11.104 -2.584 264 HH11 ARG 36 HH11 ARG 36 -35.128 14.381 -1.646 265 HH12 ARG 36 HH12 ARG 36 -36.112 14.323 -0.221 266 HH21 ARG 36 HH21 ARG 36 -37.135 11.016 -0.711 267 HH22 ARG 36 HH22 ARG 36 -37.252 12.409 0.310 268 H ASP 37 H ASP 37 -38.318 12.780 -6.217 269 HA ASP 37 HA ASP 37 -39.147 12.503 -8.957 270 HB2 ASP 37 HB2 ASP 37 -40.694 12.784 -6.957 271 HB3 ASP 37 HB3 ASP 37 -40.217 14.480 -6.943 272 H ASP 38 H ASP 38 -36.857 14.373 -7.425 273 HA ASP 38 HA ASP 38 -37.194 16.742 -9.065 274 HB2 ASP 38 HB2 ASP 38 -35.137 17.528 -7.909 275 HB3 ASP 38 HB3 ASP 38 -36.419 17.063 -6.793 276 H PHE 39 H PHE 39 -36.522 13.968 -10.130 277 HA PHE 39 HA PHE 39 -35.300 13.081 -11.830 278 HB2 PHE 39 HB2 PHE 39 -35.086 16.010 -12.270 279 HB3 PHE 39 HB3 PHE 39 -33.946 14.993 -13.144 280 HD1 PHE 39 HD2 PHE 39 -37.582 15.357 -12.449 281 HD2 PHE 39 HD1 PHE 39 -34.571 14.029 -15.148 282 HE1 PHE 39 HE2 PHE 39 -39.309 14.880 -14.135 283 HE2 PHE 39 HE1 PHE 39 -36.293 13.550 -16.839 284 HZ PHE 39 HZ PHE 39 -38.666 13.974 -16.333 285 H ARG 40 H ARG 40 -34.119 13.559 -9.126 286 HA ARG 40 HA ARG 40 -31.306 13.203 -9.909 287 HB2 ARG 40 HB2 ARG 40 -32.187 14.629 -7.397 288 HB3 ARG 40 HB3 ARG 40 -30.548 14.462 -8.012 289 HG2 ARG 40 HG2 ARG 40 -32.217 15.702 -9.988 290 HG3 ARG 40 HG3 ARG 40 -32.337 16.564 -8.453 291 HD2 ARG 40 HD2 ARG 40 -29.669 16.155 -8.587 292 HD3 ARG 40 HD3 ARG 40 -30.062 16.284 -10.301 293 HE ARG 40 HE ARG 40 -31.160 18.374 -8.636 294 HH11 ARG 40 HH11 ARG 40 -28.495 17.340 -10.623 295 HH12 ARG 40 HH12 ARG 40 -27.935 18.949 -10.938 296 HH21 ARG 40 HH21 ARG 40 -30.433 20.498 -9.043 297 HH22 ARG 40 HH22 ARG 40 -29.038 20.745 -10.038 298 H CYS 41 H CYS 41 -30.140 11.687 -8.746 299 HA CYS 41 HA CYS 41 -31.698 10.067 -6.838 300 HB2 CYS 41 HB2 CYS 41 -31.509 8.737 -8.790 301 HB3 CYS 41 HB3 CYS 41 -29.827 9.199 -9.035 302 H TRP 42 H TRP 42 -30.837 9.871 -4.882 303 HA TRP 42 HA TRP 42 -28.113 10.827 -4.445 304 HB2 TRP 42 HB2 TRP 42 -30.437 10.281 -2.605 305 HB3 TRP 42 HB3 TRP 42 -28.814 10.584 -1.990 306 HD1 TRP 42 HD1 TRP 42 -31.465 12.359 -4.196 307 HE1 TRP 42 HE1 TRP 42 -31.221 14.896 -3.839 308 HE3 TRP 42 HE3 TRP 42 -27.389 12.355 -1.110 309 HZ2 TRP 42 HZ2 TRP 42 -29.524 16.662 -2.436 310 HZ3 TRP 42 HZ3 TRP 42 -26.517 14.511 -0.305 311 HH2 TRP 42 HH2 TRP 42 -27.564 16.619 -0.956 312 H CYS 43 H CYS 43 -26.456 9.497 -4.137 313 HA CYS 43 HA CYS 43 -27.009 6.648 -3.710 314 HB2 CYS 43 HB2 CYS 43 -24.374 7.895 -4.499 315 HB3 CYS 43 HB3 CYS 43 -24.844 6.203 -4.624 316 H THR 44 H THR 44 -26.282 5.553 -1.961 317 HA THR 44 HA THR 44 -25.092 7.154 0.187 318 HB THR 44 HB THR 44 -26.472 4.466 0.299 319 HG1 THR 44 HG1 THR 44 -28.092 5.710 1.380 320 HG21 THR 44 HG21 THR 44 -25.298 4.225 2.203 321 HG22 THR 44 HG22 THR 44 -26.404 5.435 2.854 322 HG23 THR 44 HG23 THR 44 -24.826 5.924 2.237 323 H ARG 45 H ARG 45 -23.081 6.811 0.901 324 HA ARG 45 HA ARG 45 -21.737 4.292 0.225 325 HB2 ARG 45 HB2 ARG 45 -19.776 5.398 -0.573 326 HB3 ARG 45 HB3 ARG 45 -21.146 6.071 -1.445 327 HG2 ARG 45 HG2 ARG 45 -21.124 8.027 0.010 328 HG3 ARG 45 HG3 ARG 45 -19.762 7.348 0.904 329 HD2 ARG 45 HD2 ARG 45 -19.741 8.004 -2.040 330 HD3 ARG 45 HD3 ARG 45 -19.090 9.043 -0.773 331 HE ARG 45 HE ARG 45 -17.895 6.650 -1.846 332 HH11 ARG 45 HH11 ARG 45 -18.006 8.870 0.834 333 HH12 ARG 45 HH12 ARG 45 -16.415 8.475 1.396 334 HH21 ARG 45 HH21 ARG 45 -15.799 6.122 -1.116 335 HH22 ARG 45 HH22 ARG 45 -15.161 6.913 0.285 336 H ASN 46 H ASN 46 -19.618 4.093 1.435 337 HA ASN 46 HA ASN 46 -20.119 4.553 4.213 338 HB2 ASN 46 HB2 ASN 46 -17.566 3.548 2.943 339 HB3 ASN 46 HB3 ASN 46 -18.090 3.315 4.608 340 HD21 ASN 46 HD21 ASN 46 -18.483 2.331 1.313 341 HD22 ASN 46 HD22 ASN 46 -19.438 0.926 1.629 342 H CYS 47 H CYS 47 -19.249 6.027 5.572 343 HA CYS 47 HA CYS 47 -16.972 7.628 4.832 344 HB2 CYS 47 HB2 CYS 47 -18.010 9.737 4.677 345 HB3 CYS 47 HB3 CYS 47 -19.013 8.678 3.691 Start of MODEL 6 1 H1 LYS 1 H LYS 1 -21.033 3.242 9.052 2 HA LYS 1 HA LYS 1 -23.702 4.471 9.044 3 HB2 LYS 1 HB2 LYS 1 -21.863 5.555 10.370 4 HB3 LYS 1 HB3 LYS 1 -21.021 5.853 8.854 5 HG2 LYS 1 HG2 LYS 1 -22.237 7.823 9.639 6 HG3 LYS 1 HG3 LYS 1 -22.841 7.251 8.082 7 HD2 LYS 1 HD2 LYS 1 -24.870 6.761 8.917 8 HD3 LYS 1 HD3 LYS 1 -24.200 6.090 10.406 9 HE2 LYS 1 HE2 LYS 1 -23.862 8.977 10.198 10 HE3 LYS 1 HE3 LYS 1 -25.553 8.478 10.164 11 HZ1 LYS 1 HZ1 LYS 1 -25.050 8.767 12.409 12 HZ2 LYS 1 HZ2 LYS 1 -23.545 8.005 12.282 13 HZ3 LYS 1 HZ3 LYS 1 -24.966 7.092 12.190 14 H THR 2 H THR 2 -24.215 5.946 7.266 15 HA THR 2 HA THR 2 -22.760 5.491 4.777 16 HB THR 2 HB THR 2 -25.026 5.111 3.620 17 HG1 THR 2 HG1 THR 2 -25.669 4.493 6.324 18 HG21 THR 2 HG21 THR 2 -24.960 2.632 4.238 19 HG22 THR 2 HG22 THR 2 -23.638 3.059 5.325 20 HG23 THR 2 HG23 THR 2 -23.479 3.337 3.591 21 H CYS 3 H CYS 3 -23.134 7.063 3.179 22 HA CYS 3 HA CYS 3 -24.648 9.419 4.097 23 HB2 CYS 3 HB2 CYS 3 -21.974 9.258 2.716 24 HB3 CYS 3 HB3 CYS 3 -22.936 10.732 2.714 25 H GLU 4 H GLU 4 -25.424 10.833 2.359 26 HA GLU 4 HA GLU 4 -26.037 9.303 -0.084 27 HB2 GLU 4 HB2 GLU 4 -27.892 9.981 1.686 28 HB3 GLU 4 HB3 GLU 4 -27.817 11.515 0.830 29 HG2 GLU 4 HG2 GLU 4 -29.242 10.672 -0.634 30 HG3 GLU 4 HG3 GLU 4 -27.954 9.598 -1.176 31 H ASN 5 H ASN 5 -25.557 10.203 -1.995 32 HA ASN 5 HA ASN 5 -25.044 13.082 -2.138 33 HB2 ASN 5 HB2 ASN 5 -22.948 12.727 -3.363 34 HB3 ASN 5 HB3 ASN 5 -22.859 12.028 -1.749 35 HD21 ASN 5 HD21 ASN 5 -23.014 9.753 -1.526 36 HD22 ASN 5 HD22 ASN 5 -22.602 8.709 -2.839 37 H LEU 6 H LEU 6 -25.240 13.978 -4.228 38 HA LEU 6 HA LEU 6 -27.203 12.757 -5.856 39 HB2 LEU 6 HB2 LEU 6 -25.445 15.165 -6.189 40 HB3 LEU 6 HB3 LEU 6 -26.547 14.645 -7.463 41 HG LEU 6 HG LEU 6 -27.323 15.514 -4.678 42 HD11 LEU 6 HD11 LEU 6 -28.478 17.035 -6.800 43 HD12 LEU 6 HD12 LEU 6 -26.725 17.009 -6.988 44 HD13 LEU 6 HD13 LEU 6 -27.441 17.575 -5.479 45 HD21 LEU 6 HD21 LEU 6 -28.878 13.861 -5.361 46 HD22 LEU 6 HD22 LEU 6 -28.948 14.504 -7.002 47 HD23 LEU 6 HD23 LEU 6 -29.640 15.423 -5.664 48 H SER 7 H SER 7 -27.069 11.603 -7.706 49 HA SER 7 HA SER 7 -24.689 10.220 -8.309 50 HB2 SER 7 HB2 SER 7 -27.044 9.423 -8.762 51 HB3 SER 7 HB3 SER 7 -27.077 10.524 -10.139 52 HG SER 7 HG SER 7 -26.242 8.109 -10.210 53 H ASP 8 H ASP 8 -24.252 10.122 -10.927 54 HA ASP 8 HA ASP 8 -22.820 12.535 -11.442 55 HB2 ASP 8 HB2 ASP 8 -22.443 11.345 -13.722 56 HB3 ASP 8 HB3 ASP 8 -21.742 10.641 -12.268 57 H SER 9 H SER 9 -25.351 10.893 -13.351 58 HA SER 9 HA SER 9 -26.687 13.400 -13.859 59 HB2 SER 9 HB2 SER 9 -26.395 13.480 -16.220 60 HB3 SER 9 HB3 SER 9 -24.780 13.263 -15.543 61 HG SER 9 HG SER 9 -24.654 11.519 -16.686 62 H PHE 10 H PHE 10 -27.454 11.002 -12.582 63 HA PHE 10 HA PHE 10 -29.119 9.521 -14.432 64 HB2 PHE 10 HB2 PHE 10 -27.916 8.488 -12.453 65 HB3 PHE 10 HB3 PHE 10 -29.087 9.302 -11.421 66 HD1 PHE 10 HD1 PHE 10 -31.606 8.873 -12.086 67 HD2 PHE 10 HD2 PHE 10 -28.347 6.331 -13.103 68 HE1 PHE 10 HE1 PHE 10 -33.167 6.993 -12.372 69 HE2 PHE 10 HE2 PHE 10 -29.903 4.447 -13.391 70 HZ PHE 10 HZ PHE 10 -32.316 4.776 -13.027 71 H LYS 11 H LYS 11 -31.075 10.161 -15.011 72 HA LYS 11 HA LYS 11 -32.626 11.828 -13.139 73 HB2 LYS 11 HB2 LYS 11 -33.111 11.940 -16.086 74 HB3 LYS 11 HB3 LYS 11 -33.386 13.173 -14.862 75 HG2 LYS 11 HG2 LYS 11 -30.691 12.302 -15.887 76 HG3 LYS 11 HG3 LYS 11 -31.556 13.762 -16.374 77 HD2 LYS 11 HD2 LYS 11 -31.360 14.709 -14.212 78 HD3 LYS 11 HD3 LYS 11 -30.835 13.177 -13.511 79 HE2 LYS 11 HE2 LYS 11 -28.734 13.829 -13.827 80 HE3 LYS 11 HE3 LYS 11 -29.017 13.727 -15.564 81 HZ1 LYS 11 HZ1 LYS 11 -29.519 15.996 -15.681 82 HZ2 LYS 11 HZ2 LYS 11 -28.160 15.915 -14.677 83 HZ3 LYS 11 HZ3 LYS 11 -29.695 16.148 -14.005 84 H GLY 12 H GLY 12 -35.065 11.831 -14.199 85 HA2 GLY 12 HA2 GLY 12 -36.991 10.609 -14.481 86 HA3 GLY 12 HA3 GLY 12 -35.997 9.356 -15.210 87 HA PRO 13 HA PRO 13 -37.440 8.399 -10.710 88 HB2 PRO 13 HB2 PRO 13 -39.865 7.262 -11.152 89 HB3 PRO 13 HB3 PRO 13 -39.660 8.983 -10.803 90 HG2 PRO 13 HG2 PRO 13 -40.044 7.618 -13.439 91 HG3 PRO 13 HG3 PRO 13 -40.783 9.113 -12.835 92 HD2 PRO 13 HD2 PRO 13 -38.686 9.112 -14.549 93 HD3 PRO 13 HD3 PRO 13 -38.921 10.380 -13.328 94 H CYS 14 H CYS 14 -37.445 6.288 -9.830 95 HA CYS 14 HA CYS 14 -37.757 3.924 -11.313 96 HB2 CYS 14 HB2 CYS 14 -35.564 3.233 -11.803 97 HB3 CYS 14 HB3 CYS 14 -35.614 4.913 -12.327 98 H ILE 15 H ILE 15 -37.020 1.994 -10.100 99 HA ILE 15 HA ILE 15 -37.692 2.196 -7.376 100 HB ILE 15 HB ILE 15 -36.773 -0.175 -7.247 101 HG12 ILE 15 HG12 ILE 15 -36.693 -0.057 -10.244 102 HG13 ILE 15 HG13 ILE 15 -35.256 0.346 -9.310 103 HG21 ILE 15 HG21 ILE 15 -38.655 -1.100 -8.446 104 HG22 ILE 15 HG22 ILE 15 -39.140 0.394 -7.646 105 HG23 ILE 15 HG23 ILE 15 -38.826 0.385 -9.382 106 HD11 ILE 15 HD11 ILE 15 -35.210 -1.967 -10.014 107 HD12 ILE 15 HD12 ILE 15 -35.337 -1.861 -8.258 108 HD13 ILE 15 HD13 ILE 15 -36.758 -2.260 -9.223 109 HA PRO 16 HA PRO 16 -33.930 3.115 -5.310 110 HB2 PRO 16 HB2 PRO 16 -34.136 1.585 -3.076 111 HB3 PRO 16 HB3 PRO 16 -35.116 3.032 -3.343 112 HG2 PRO 16 HG2 PRO 16 -35.837 0.155 -3.747 113 HG3 PRO 16 HG3 PRO 16 -36.797 1.458 -3.021 114 HD2 PRO 16 HD2 PRO 16 -37.170 0.618 -5.568 115 HD3 PRO 16 HD3 PRO 16 -37.431 2.302 -5.070 116 H ASP 17 H ASP 17 -34.564 0.002 -6.491 117 HA ASP 17 HA ASP 17 -31.722 -0.686 -6.263 118 HB2 ASP 17 HB2 ASP 17 -34.006 -2.590 -5.699 119 HB3 ASP 17 HB3 ASP 17 -32.306 -3.042 -5.796 120 H GLY 18 H GLY 18 -32.564 0.437 -8.499 121 HA2 GLY 18 HA2 GLY 18 -32.784 -1.832 -10.373 122 HA3 GLY 18 HA3 GLY 18 -33.754 -0.384 -10.594 123 H ASN 19 H ASN 19 -32.999 0.809 -12.202 124 HA ASN 19 HA ASN 19 -30.507 0.574 -13.392 125 HB2 ASN 19 HB2 ASN 19 -32.624 2.688 -13.412 126 HB3 ASN 19 HB3 ASN 19 -31.069 3.035 -14.164 127 HD21 ASN 19 HD21 ASN 19 -32.771 3.209 -15.961 128 HD22 ASN 19 HD22 ASN 19 -32.996 1.784 -16.913 129 H CYS 20 H CYS 20 -31.595 3.171 -11.199 130 HA CYS 20 HA CYS 20 -29.170 4.508 -10.977 131 HB2 CYS 20 HB2 CYS 20 -31.463 5.228 -10.121 132 HB3 CYS 20 HB3 CYS 20 -31.137 4.231 -8.707 133 H ASN 21 H ASN 21 -30.213 1.532 -9.544 134 HA ASN 21 HA ASN 21 -28.272 1.466 -7.449 135 HB2 ASN 21 HB2 ASN 21 -30.424 0.163 -7.462 136 HB3 ASN 21 HB3 ASN 21 -29.718 -0.879 -8.694 137 HD21 ASN 21 HD21 ASN 21 -29.819 -2.694 -7.401 138 HD22 ASN 21 HD22 ASN 21 -28.777 -2.927 -6.043 139 H LYS 22 H LYS 22 -28.549 -0.322 -10.523 140 HA LYS 22 HA LYS 22 -25.985 -1.491 -10.374 141 HB2 LYS 22 HB2 LYS 22 -26.336 -2.202 -12.621 142 HB3 LYS 22 HB3 LYS 22 -27.899 -2.264 -11.817 143 HG2 LYS 22 HG2 LYS 22 -28.570 -0.199 -12.868 144 HG3 LYS 22 HG3 LYS 22 -26.971 -0.015 -13.592 145 HD2 LYS 22 HD2 LYS 22 -28.033 -2.595 -14.246 146 HD3 LYS 22 HD3 LYS 22 -29.214 -1.349 -14.655 147 HE2 LYS 22 HE2 LYS 22 -27.926 -0.486 -16.297 148 HE3 LYS 22 HE3 LYS 22 -26.428 -0.762 -15.410 149 HZ1 LYS 22 HZ1 LYS 22 -27.885 -2.568 -17.205 150 HZ2 LYS 22 HZ2 LYS 22 -26.980 -3.240 -15.944 151 HZ3 LYS 22 HZ3 LYS 22 -26.224 -2.264 -17.100 152 H HIS 23 H HIS 23 -27.133 1.573 -11.599 153 HA HIS 23 HA HIS 23 -24.842 2.257 -13.115 154 HB2 HIS 23 HB2 HIS 23 -27.265 3.338 -12.951 155 HB3 HIS 23 HB3 HIS 23 -26.457 4.386 -11.790 156 HD1 HIS 23 HD1 HIS 23 -25.588 3.120 -15.283 157 HD2 HIS 23 HD2 HIS 23 -25.595 6.612 -13.031 158 HE1 HIS 23 HE1 HIS 23 -24.724 4.913 -16.820 159 H CYS 24 H CYS 24 -25.887 3.478 -9.926 160 HA CYS 24 HA CYS 24 -23.462 4.766 -9.330 161 HB2 CYS 24 HB2 CYS 24 -25.742 3.789 -7.622 162 HB3 CYS 24 HB3 CYS 24 -24.330 4.568 -6.915 163 H LYS 25 H LYS 25 -24.324 1.463 -9.290 164 HA LYS 25 HA LYS 25 -22.207 0.721 -7.429 165 HB2 LYS 25 HB2 LYS 25 -24.392 -0.788 -8.834 166 HB3 LYS 25 HB3 LYS 25 -23.047 -1.645 -8.093 167 HG2 LYS 25 HG2 LYS 25 -23.603 -0.476 -5.949 168 HG3 LYS 25 HG3 LYS 25 -25.062 0.128 -6.737 169 HD2 LYS 25 HD2 LYS 25 -25.993 -1.751 -5.916 170 HD3 LYS 25 HD3 LYS 25 -25.226 -2.517 -7.309 171 HE2 LYS 25 HE2 LYS 25 -23.677 -3.566 -6.044 172 HE3 LYS 25 HE3 LYS 25 -23.526 -2.214 -4.922 173 HZ1 LYS 25 HZ1 LYS 25 -24.479 -4.100 -3.806 174 HZ2 LYS 25 HZ2 LYS 25 -25.705 -4.231 -4.964 175 HZ3 LYS 25 HZ3 LYS 25 -25.655 -2.890 -3.935 176 H GLU 26 H GLU 26 -22.784 0.976 -10.819 177 HA GLU 26 HA GLU 26 -20.473 -0.684 -11.479 178 HB2 GLU 26 HB2 GLU 26 -22.679 0.569 -13.079 179 HB3 GLU 26 HB3 GLU 26 -21.202 0.044 -13.873 180 HG2 GLU 26 HG2 GLU 26 -21.552 -2.221 -13.006 181 HG3 GLU 26 HG3 GLU 26 -23.052 -1.687 -12.250 182 H LYS 27 H LYS 27 -21.307 2.587 -10.979 183 HA LYS 27 HA LYS 27 -18.902 3.514 -12.394 184 HB2 LYS 27 HB2 LYS 27 -21.194 5.154 -11.301 185 HB3 LYS 27 HB3 LYS 27 -19.864 5.746 -12.288 186 HG2 LYS 27 HG2 LYS 27 -20.780 3.891 -13.951 187 HG3 LYS 27 HG3 LYS 27 -22.274 4.211 -13.066 188 HD2 LYS 27 HD2 LYS 27 -22.534 6.228 -14.015 189 HD3 LYS 27 HD3 LYS 27 -20.823 6.627 -13.850 190 HE2 LYS 27 HE2 LYS 27 -20.296 5.334 -15.824 191 HE3 LYS 27 HE3 LYS 27 -21.969 4.796 -15.955 192 HZ1 LYS 27 HZ1 LYS 27 -21.592 6.571 -17.492 193 HZ2 LYS 27 HZ2 LYS 27 -20.970 7.572 -16.279 194 HZ3 LYS 27 HZ3 LYS 27 -22.606 7.144 -16.265 195 H GLU 28 H GLU 28 -20.659 4.665 -9.517 196 HA GLU 28 HA GLU 28 -18.158 5.344 -8.236 197 HB2 GLU 28 HB2 GLU 28 -21.048 5.803 -7.660 198 HB3 GLU 28 HB3 GLU 28 -19.912 5.893 -6.321 199 HG2 GLU 28 HG2 GLU 28 -18.743 7.397 -8.347 200 HG3 GLU 28 HG3 GLU 28 -20.457 7.805 -8.405 201 H HIS 29 H HIS 29 -19.988 2.579 -8.485 202 HA HIS 29 HA HIS 29 -20.137 0.626 -7.317 203 HB2 HIS 29 HB2 HIS 29 -17.362 1.608 -6.748 204 HB3 HIS 29 HB3 HIS 29 -17.940 0.128 -5.989 205 HD1 HIS 29 HD1 HIS 29 -16.877 -1.726 -7.235 206 HD2 HIS 29 HD2 HIS 29 -18.303 1.233 -9.779 207 HE1 HIS 29 HE1 HIS 29 -16.492 -2.597 -9.563 208 H LEU 30 H LEU 30 -21.579 2.541 -6.072 209 HA LEU 30 HA LEU 30 -20.849 2.617 -3.260 210 HB2 LEU 30 HB2 LEU 30 -23.307 3.685 -4.639 211 HB3 LEU 30 HB3 LEU 30 -22.801 4.031 -2.987 212 HG LEU 30 HG LEU 30 -21.483 4.944 -5.538 213 HD11 LEU 30 HD11 LEU 30 -22.738 6.749 -5.272 214 HD12 LEU 30 HD12 LEU 30 -21.992 7.024 -3.698 215 HD13 LEU 30 HD13 LEU 30 -23.463 6.058 -3.820 216 HD21 LEU 30 HD21 LEU 30 -20.181 6.233 -3.530 217 HD22 LEU 30 HD22 LEU 30 -19.571 4.808 -4.372 218 HD23 LEU 30 HD23 LEU 30 -20.407 4.631 -2.828 219 H LEU 31 H LEU 31 -23.263 2.497 -1.990 220 HA LEU 31 HA LEU 31 -23.718 -0.333 -1.895 221 HB2 LEU 31 HB2 LEU 31 -24.948 1.989 -0.429 222 HB3 LEU 31 HB3 LEU 31 -25.414 0.313 -0.146 223 HG LEU 31 HG LEU 31 -22.639 1.421 0.275 224 HD11 LEU 31 HD11 LEU 31 -24.433 0.568 2.492 225 HD12 LEU 31 HD12 LEU 31 -24.639 2.174 1.795 226 HD13 LEU 31 HD13 LEU 31 -23.091 1.711 2.501 227 HD21 LEU 31 HD21 LEU 31 -22.492 -0.897 -0.180 228 HD22 LEU 31 HD22 LEU 31 -23.906 -1.256 0.812 229 HD23 LEU 31 HD23 LEU 31 -22.403 -0.730 1.573 230 H SER 32 H SER 32 -25.830 2.467 -2.543 231 HA SER 32 HA SER 32 -27.212 1.080 -4.628 232 HB2 SER 32 HB2 SER 32 -29.426 1.029 -3.574 233 HB3 SER 32 HB3 SER 32 -28.284 0.038 -2.667 234 HG SER 32 HG SER 32 -29.122 1.204 -1.087 235 H GLY 33 H GLY 33 -29.458 2.474 -4.950 236 HA2 GLY 33 HA2 GLY 33 -28.896 5.312 -4.548 237 HA3 GLY 33 HA3 GLY 33 -28.959 4.745 -6.210 238 H ARG 34 H ARG 34 -30.674 6.708 -5.320 239 HA ARG 34 HA ARG 34 -33.240 5.360 -5.658 240 HB2 ARG 34 HB2 ARG 34 -32.914 7.485 -3.545 241 HB3 ARG 34 HB3 ARG 34 -34.304 6.447 -3.832 242 HG2 ARG 34 HG2 ARG 34 -32.650 4.523 -3.277 243 HG3 ARG 34 HG3 ARG 34 -31.702 5.806 -2.522 244 HD2 ARG 34 HD2 ARG 34 -33.312 6.234 -0.922 245 HD3 ARG 34 HD3 ARG 34 -34.613 5.561 -1.904 246 HE ARG 34 HE ARG 34 -32.728 3.563 -1.167 247 HH11 ARG 34 HH11 ARG 34 -35.398 5.446 0.037 248 HH12 ARG 34 HH12 ARG 34 -35.865 4.268 1.219 249 HH21 ARG 34 HH21 ARG 34 -33.334 2.005 0.385 250 HH22 ARG 34 HH22 ARG 34 -34.690 2.312 1.416 251 H CYS 35 H CYS 35 -34.446 6.363 -7.133 252 HA CYS 35 HA CYS 35 -33.555 8.929 -8.164 253 HB2 CYS 35 HB2 CYS 35 -35.927 7.449 -9.239 254 HB3 CYS 35 HB3 CYS 35 -34.751 8.441 -10.096 255 H ARG 36 H ARG 36 -34.979 10.717 -8.486 256 HA ARG 36 HA ARG 36 -37.378 10.727 -6.791 257 HB2 ARG 36 HB2 ARG 36 -35.226 12.851 -6.831 258 HB3 ARG 36 HB3 ARG 36 -36.776 13.010 -6.016 259 HG2 ARG 36 HG2 ARG 36 -35.836 10.665 -4.985 260 HG3 ARG 36 HG3 ARG 36 -34.356 11.603 -5.193 261 HD2 ARG 36 HD2 ARG 36 -34.859 12.567 -3.246 262 HD3 ARG 36 HD3 ARG 36 -36.122 13.428 -4.124 263 HE ARG 36 HE ARG 36 -36.987 10.860 -3.225 264 HH11 ARG 36 HH11 ARG 36 -36.466 14.158 -2.237 265 HH12 ARG 36 HH12 ARG 36 -37.638 14.098 -0.963 266 HH21 ARG 36 HH21 ARG 36 -38.533 10.770 -1.550 267 HH22 ARG 36 HH22 ARG 36 -38.813 12.170 -0.573 268 H ASP 37 H ASP 37 -38.680 12.802 -7.206 269 HA ASP 37 HA ASP 37 -39.189 12.935 -10.029 270 HB2 ASP 37 HB2 ASP 37 -40.443 14.378 -7.685 271 HB3 ASP 37 HB3 ASP 37 -41.007 14.518 -9.348 272 H ASP 38 H ASP 38 -37.000 14.464 -8.085 273 HA ASP 38 HA ASP 38 -37.145 17.066 -9.374 274 HB2 ASP 38 HB2 ASP 38 -35.181 17.600 -7.933 275 HB3 ASP 38 HB3 ASP 38 -36.590 17.058 -7.024 276 H PHE 39 H PHE 39 -36.423 14.440 -10.748 277 HA PHE 39 HA PHE 39 -35.021 13.719 -12.388 278 HB2 PHE 39 HB2 PHE 39 -34.912 16.672 -12.538 279 HB3 PHE 39 HB3 PHE 39 -33.617 15.814 -13.367 280 HD1 PHE 39 HD2 PHE 39 -37.319 15.946 -13.075 281 HD2 PHE 39 HD1 PHE 39 -33.957 14.972 -15.496 282 HE1 PHE 39 HE2 PHE 39 -38.817 15.540 -14.984 283 HE2 PHE 39 HE1 PHE 39 -35.449 14.565 -17.410 284 HZ PHE 39 HZ PHE 39 -37.883 14.848 -17.155 285 H ARG 40 H ARG 40 -34.066 13.866 -9.594 286 HA ARG 40 HA ARG 40 -31.187 13.714 -10.175 287 HB2 ARG 40 HB2 ARG 40 -32.301 14.749 -7.569 288 HB3 ARG 40 HB3 ARG 40 -30.624 14.755 -8.099 289 HG2 ARG 40 HG2 ARG 40 -32.195 16.168 -10.010 290 HG3 ARG 40 HG3 ARG 40 -32.559 16.781 -8.396 291 HD2 ARG 40 HD2 ARG 40 -29.937 16.718 -8.151 292 HD3 ARG 40 HD3 ARG 40 -29.995 16.806 -9.911 293 HE ARG 40 HE ARG 40 -30.479 18.926 -8.096 294 HH11 ARG 40 HH11 ARG 40 -31.550 17.610 -11.135 295 HH12 ARG 40 HH12 ARG 40 -32.087 19.136 -11.756 296 HH21 ARG 40 HH21 ARG 40 -31.183 20.941 -8.901 297 HH22 ARG 40 HH22 ARG 40 -31.877 21.030 -10.484 298 H CYS 41 H CYS 41 -30.108 12.014 -9.276 299 HA CYS 41 HA CYS 41 -31.723 10.139 -7.674 300 HB2 CYS 41 HB2 CYS 41 -30.873 9.578 -10.126 301 HB3 CYS 41 HB3 CYS 41 -29.388 9.182 -9.267 302 H TRP 42 H TRP 42 -31.043 9.886 -5.662 303 HA TRP 42 HA TRP 42 -28.341 10.718 -4.940 304 HB2 TRP 42 HB2 TRP 42 -30.816 10.093 -3.337 305 HB3 TRP 42 HB3 TRP 42 -29.242 10.310 -2.575 306 HD1 TRP 42 HD1 TRP 42 -31.707 12.304 -4.804 307 HE1 TRP 42 HE1 TRP 42 -31.434 14.802 -4.248 308 HE3 TRP 42 HE3 TRP 42 -27.817 11.981 -1.502 309 HZ2 TRP 42 HZ2 TRP 42 -29.787 16.422 -2.626 310 HZ3 TRP 42 HZ3 TRP 42 -26.951 14.052 -0.493 311 HH2 TRP 42 HH2 TRP 42 -27.917 16.225 -1.045 312 H CYS 43 H CYS 43 -26.750 9.356 -4.397 313 HA CYS 43 HA CYS 43 -27.393 6.487 -4.291 314 HB2 CYS 43 HB2 CYS 43 -24.694 7.731 -4.833 315 HB3 CYS 43 HB3 CYS 43 -25.158 6.047 -5.052 316 H THR 44 H THR 44 -26.825 5.270 -2.565 317 HA THR 44 HA THR 44 -25.796 6.705 -0.230 318 HB THR 44 HB THR 44 -27.104 3.983 -0.405 319 HG1 THR 44 HG1 THR 44 -28.054 6.581 0.014 320 HG21 THR 44 HG21 THR 44 -26.226 3.653 1.624 321 HG22 THR 44 HG22 THR 44 -27.285 4.943 2.196 322 HG23 THR 44 HG23 THR 44 -25.630 5.310 1.710 323 H ARG 45 H ARG 45 -23.850 6.314 0.633 324 HA ARG 45 HA ARG 45 -22.413 3.875 -0.132 325 HB2 ARG 45 HB2 ARG 45 -20.406 5.069 -0.670 326 HB3 ARG 45 HB3 ARG 45 -21.714 5.765 -1.617 327 HG2 ARG 45 HG2 ARG 45 -21.879 7.615 -0.025 328 HG3 ARG 45 HG3 ARG 45 -20.553 6.920 0.909 329 HD2 ARG 45 HD2 ARG 45 -20.355 7.755 -1.981 330 HD3 ARG 45 HD3 ARG 45 -19.858 8.756 -0.617 331 HE ARG 45 HE ARG 45 -18.463 6.478 -1.705 332 HH11 ARG 45 HH11 ARG 45 -18.883 8.568 1.048 333 HH12 ARG 45 HH12 ARG 45 -17.318 8.228 1.709 334 HH21 ARG 45 HH21 ARG 45 -16.400 6.023 -0.844 335 HH22 ARG 45 HH22 ARG 45 -15.907 6.781 0.632 336 H ASN 46 H ASN 46 -20.442 3.543 1.238 337 HA ASN 46 HA ASN 46 -21.151 3.818 3.988 338 HB2 ASN 46 HB2 ASN 46 -18.491 2.912 2.875 339 HB3 ASN 46 HB3 ASN 46 -19.172 2.538 4.455 340 HD21 ASN 46 HD21 ASN 46 -19.288 1.874 1.050 341 HD22 ASN 46 HD22 ASN 46 -20.240 0.436 1.157 342 H CYS 47 H CYS 47 -20.416 5.199 5.510 343 HA CYS 47 HA CYS 47 -18.084 6.834 5.091 344 HB2 CYS 47 HB2 CYS 47 -19.095 8.950 4.958 345 HB3 CYS 47 HB3 CYS 47 -20.029 7.961 3.841 Start of MODEL 7 1 H1 LYS 1 H LYS 1 -19.963 3.826 9.240 2 HA LYS 1 HA LYS 1 -22.663 4.979 9.304 3 HB2 LYS 1 HB2 LYS 1 -20.776 6.125 10.521 4 HB3 LYS 1 HB3 LYS 1 -20.039 6.435 8.954 5 HG2 LYS 1 HG2 LYS 1 -21.271 8.372 9.797 6 HG3 LYS 1 HG3 LYS 1 -21.948 7.765 8.285 7 HD2 LYS 1 HD2 LYS 1 -23.761 6.718 9.431 8 HD3 LYS 1 HD3 LYS 1 -23.020 7.027 11.003 9 HE2 LYS 1 HE2 LYS 1 -23.789 9.134 11.080 10 HE3 LYS 1 HE3 LYS 1 -23.432 9.428 9.379 11 HZ1 LYS 1 HZ1 LYS 1 -25.503 7.709 9.253 12 HZ2 LYS 1 HZ2 LYS 1 -25.639 9.392 9.143 13 HZ3 LYS 1 HZ3 LYS 1 -25.900 8.617 10.624 14 H THR 2 H THR 2 -23.281 6.419 7.525 15 HA THR 2 HA THR 2 -21.932 5.941 4.982 16 HB THR 2 HB THR 2 -24.248 5.504 3.939 17 HG1 THR 2 HG1 THR 2 -24.782 4.635 6.601 18 HG21 THR 2 HG21 THR 2 -22.733 3.504 5.599 19 HG22 THR 2 HG22 THR 2 -22.665 3.762 3.856 20 HG23 THR 2 HG23 THR 2 -24.097 3.036 4.584 21 H CYS 3 H CYS 3 -22.421 7.468 3.366 22 HA CYS 3 HA CYS 3 -23.925 9.820 4.313 23 HB2 CYS 3 HB2 CYS 3 -21.313 9.664 2.822 24 HB3 CYS 3 HB3 CYS 3 -22.303 11.119 2.797 25 H GLU 4 H GLU 4 -24.809 11.186 2.586 26 HA GLU 4 HA GLU 4 -25.506 9.601 0.200 27 HB2 GLU 4 HB2 GLU 4 -27.292 10.241 2.053 28 HB3 GLU 4 HB3 GLU 4 -27.308 11.767 1.179 29 HG2 GLU 4 HG2 GLU 4 -28.757 10.872 -0.228 30 HG3 GLU 4 HG3 GLU 4 -27.477 9.795 -0.786 31 H ASN 5 H ASN 5 -25.136 10.489 -1.739 32 HA ASN 5 HA ASN 5 -24.739 13.382 -1.944 33 HB2 ASN 5 HB2 ASN 5 -22.680 13.091 -3.243 34 HB3 ASN 5 HB3 ASN 5 -22.500 12.418 -1.625 35 HD21 ASN 5 HD21 ASN 5 -22.235 11.844 -4.927 36 HD22 ASN 5 HD22 ASN 5 -21.959 10.140 -4.866 37 H LEU 6 H LEU 6 -25.000 14.223 -4.066 38 HA LEU 6 HA LEU 6 -27.004 12.927 -5.583 39 HB2 LEU 6 HB2 LEU 6 -25.302 15.353 -6.037 40 HB3 LEU 6 HB3 LEU 6 -26.423 14.778 -7.269 41 HG LEU 6 HG LEU 6 -27.154 15.701 -4.490 42 HD11 LEU 6 HD11 LEU 6 -27.623 17.725 -5.337 43 HD12 LEU 6 HD12 LEU 6 -28.220 17.065 -6.859 44 HD13 LEU 6 HD13 LEU 6 -26.487 17.261 -6.604 45 HD21 LEU 6 HD21 LEU 6 -28.796 14.590 -6.752 46 HD22 LEU 6 HD22 LEU 6 -29.490 15.560 -5.452 47 HD23 LEU 6 HD23 LEU 6 -28.706 14.023 -5.084 48 H SER 7 H SER 7 -26.917 11.711 -7.393 49 HA SER 7 HA SER 7 -24.623 10.266 -8.031 50 HB2 SER 7 HB2 SER 7 -26.974 9.588 -8.566 51 HB3 SER 7 HB3 SER 7 -26.971 10.772 -9.872 52 HG SER 7 HG SER 7 -25.674 8.321 -9.684 53 H ASP 8 H ASP 8 -23.812 10.165 -10.420 54 HA ASP 8 HA ASP 8 -22.450 12.620 -10.915 55 HB2 ASP 8 HB2 ASP 8 -21.708 11.318 -13.035 56 HB3 ASP 8 HB3 ASP 8 -21.182 10.738 -11.456 57 H SER 9 H SER 9 -24.646 10.722 -12.993 58 HA SER 9 HA SER 9 -25.981 13.130 -13.869 59 HB2 SER 9 HB2 SER 9 -25.430 12.982 -16.188 60 HB3 SER 9 HB3 SER 9 -23.902 12.922 -15.309 61 HG SER 9 HG SER 9 -23.573 10.996 -16.072 62 H PHE 10 H PHE 10 -27.137 11.192 -12.467 63 HA PHE 10 HA PHE 10 -28.338 9.216 -14.209 64 HB2 PHE 10 HB2 PHE 10 -27.786 8.597 -11.909 65 HB3 PHE 10 HB3 PHE 10 -28.845 9.863 -11.297 66 HD1 PHE 10 HD2 PHE 10 -31.322 9.698 -11.804 67 HD2 PHE 10 HD1 PHE 10 -28.610 6.469 -12.385 68 HE1 PHE 10 HE2 PHE 10 -33.208 8.117 -11.796 69 HE2 PHE 10 HE1 PHE 10 -30.491 4.883 -12.379 70 HZ PHE 10 HZ PHE 10 -32.794 5.706 -12.083 71 H LYS 11 H LYS 11 -30.294 9.320 -15.137 72 HA LYS 11 HA LYS 11 -32.070 11.547 -14.392 73 HB2 LYS 11 HB2 LYS 11 -30.976 10.801 -17.044 74 HB3 LYS 11 HB3 LYS 11 -32.674 11.254 -17.002 75 HG2 LYS 11 HG2 LYS 11 -31.180 13.140 -17.520 76 HG3 LYS 11 HG3 LYS 11 -32.131 13.398 -16.055 77 HD2 LYS 11 HD2 LYS 11 -30.310 13.342 -14.705 78 HD3 LYS 11 HD3 LYS 11 -29.476 12.145 -15.699 79 HE2 LYS 11 HE2 LYS 11 -29.854 14.780 -16.952 80 HE3 LYS 11 HE3 LYS 11 -28.789 14.763 -15.547 81 HZ1 LYS 11 HZ1 LYS 11 -28.213 13.953 -18.158 82 HZ2 LYS 11 HZ2 LYS 11 -28.144 12.578 -17.176 83 HZ3 LYS 11 HZ3 LYS 11 -27.193 13.928 -16.809 84 H GLY 12 H GLY 12 -34.292 11.128 -15.668 85 HA2 GLY 12 HA2 GLY 12 -36.176 9.825 -15.851 86 HA3 GLY 12 HA3 GLY 12 -35.109 8.440 -16.024 87 HA PRO 13 HA PRO 13 -37.343 8.621 -11.804 88 HB2 PRO 13 HB2 PRO 13 -39.330 6.838 -12.296 89 HB3 PRO 13 HB3 PRO 13 -39.514 8.577 -12.554 90 HG2 PRO 13 HG2 PRO 13 -38.922 6.419 -14.542 91 HG3 PRO 13 HG3 PRO 13 -40.033 7.794 -14.681 92 HD2 PRO 13 HD2 PRO 13 -37.572 7.789 -15.811 93 HD3 PRO 13 HD3 PRO 13 -38.341 9.270 -15.203 94 H CYS 14 H CYS 14 -38.152 6.369 -10.676 95 HA CYS 14 HA CYS 14 -35.931 4.490 -11.129 96 HB2 CYS 14 HB2 CYS 14 -37.235 5.545 -8.689 97 HB3 CYS 14 HB3 CYS 14 -36.805 3.838 -8.656 98 H ILE 15 H ILE 15 -36.635 2.258 -9.962 99 HA ILE 15 HA ILE 15 -39.323 1.530 -10.881 100 HB ILE 15 HB ILE 15 -38.104 -0.703 -11.624 101 HG12 ILE 15 HG12 ILE 15 -36.034 1.283 -12.497 102 HG13 ILE 15 HG13 ILE 15 -35.879 0.496 -10.930 103 HG21 ILE 15 HG21 ILE 15 -39.237 1.496 -12.907 104 HG22 ILE 15 HG22 ILE 15 -37.731 1.186 -13.768 105 HG23 ILE 15 HG23 ILE 15 -38.928 -0.097 -13.597 106 HD11 ILE 15 HD11 ILE 15 -35.431 -0.552 -13.616 107 HD12 ILE 15 HD12 ILE 15 -34.767 -1.066 -12.065 108 HD13 ILE 15 HD13 ILE 15 -36.363 -1.621 -12.568 109 HA PRO 16 HA PRO 16 -39.622 -0.914 -7.250 110 HB2 PRO 16 HB2 PRO 16 -40.925 -3.134 -8.113 111 HB3 PRO 16 HB3 PRO 16 -41.712 -1.560 -7.955 112 HG2 PRO 16 HG2 PRO 16 -40.618 -2.893 -10.402 113 HG3 PRO 16 HG3 PRO 16 -42.137 -2.002 -10.198 114 HD2 PRO 16 HD2 PRO 16 -39.942 -0.898 -11.336 115 HD3 PRO 16 HD3 PRO 16 -41.105 0.051 -10.387 116 H ASP 17 H ASP 17 -37.675 -1.883 -9.799 117 HA ASP 17 HA ASP 17 -36.785 -4.343 -8.485 118 HB2 ASP 17 HB2 ASP 17 -37.222 -4.162 -11.011 119 HB3 ASP 17 HB3 ASP 17 -35.721 -3.243 -11.080 120 H GLY 18 H GLY 18 -35.797 -1.067 -9.137 121 HA2 GLY 18 HA2 GLY 18 -34.203 0.061 -7.785 122 HA3 GLY 18 HA3 GLY 18 -33.459 -1.489 -7.417 123 H ASN 19 H ASN 19 -33.763 1.059 -9.804 124 HA ASN 19 HA ASN 19 -31.630 -0.124 -11.416 125 HB2 ASN 19 HB2 ASN 19 -32.342 1.184 -13.170 126 HB3 ASN 19 HB3 ASN 19 -33.853 1.031 -12.278 127 HD21 ASN 19 HD21 ASN 19 -34.105 2.773 -10.533 128 HD22 ASN 19 HD22 ASN 19 -33.735 4.385 -11.032 129 H CYS 20 H CYS 20 -32.273 2.545 -9.260 130 HA CYS 20 HA CYS 20 -30.021 4.127 -9.858 131 HB2 CYS 20 HB2 CYS 20 -31.984 3.941 -7.651 132 HB3 CYS 20 HB3 CYS 20 -30.442 4.688 -7.245 133 H ASN 21 H ASN 21 -30.341 1.143 -8.209 134 HA ASN 21 HA ASN 21 -28.013 1.358 -6.566 135 HB2 ASN 21 HB2 ASN 21 -29.902 -0.206 -6.104 136 HB3 ASN 21 HB3 ASN 21 -29.419 -1.148 -7.512 137 HD21 ASN 21 HD21 ASN 21 -28.569 -2.963 -6.790 138 HD22 ASN 21 HD22 ASN 21 -27.368 -3.097 -5.555 139 H LYS 22 H LYS 22 -28.664 -0.664 -9.435 140 HA LYS 22 HA LYS 22 -26.077 -1.526 -9.889 141 HB2 LYS 22 HB2 LYS 22 -26.786 -1.838 -12.261 142 HB3 LYS 22 HB3 LYS 22 -27.915 -2.505 -11.089 143 HG2 LYS 22 HG2 LYS 22 -29.341 -0.530 -11.350 144 HG3 LYS 22 HG3 LYS 22 -28.215 0.113 -12.547 145 HD2 LYS 22 HD2 LYS 22 -29.237 -2.634 -12.991 146 HD3 LYS 22 HD3 LYS 22 -30.379 -1.306 -13.212 147 HE2 LYS 22 HE2 LYS 22 -29.031 -0.306 -14.883 148 HE3 LYS 22 HE3 LYS 22 -27.661 -1.348 -14.502 149 HZ1 LYS 22 HZ1 LYS 22 -29.581 -3.127 -15.125 150 HZ2 LYS 22 HZ2 LYS 22 -28.410 -2.560 -16.205 151 HZ3 LYS 22 HZ3 LYS 22 -29.949 -1.858 -16.181 152 H HIS 23 H HIS 23 -27.604 1.504 -10.794 153 HA HIS 23 HA HIS 23 -25.602 2.422 -12.560 154 HB2 HIS 23 HB2 HIS 23 -28.037 3.322 -11.988 155 HB3 HIS 23 HB3 HIS 23 -27.132 4.370 -10.899 156 HD1 HIS 23 HD1 HIS 23 -28.098 3.971 -14.404 157 HD2 HIS 23 HD2 HIS 23 -25.212 6.061 -12.268 158 HE1 HIS 23 HE1 HIS 23 -27.232 5.726 -15.984 159 H CYS 24 H CYS 24 -26.254 3.532 -9.230 160 HA CYS 24 HA CYS 24 -23.819 4.894 -8.930 161 HB2 CYS 24 HB2 CYS 24 -25.702 3.737 -6.867 162 HB3 CYS 24 HB3 CYS 24 -24.333 4.771 -6.471 163 H LYS 25 H LYS 25 -24.534 1.562 -8.866 164 HA LYS 25 HA LYS 25 -22.192 0.859 -7.287 165 HB2 LYS 25 HB2 LYS 25 -24.436 -0.707 -8.530 166 HB3 LYS 25 HB3 LYS 25 -22.985 -1.518 -7.955 167 HG2 LYS 25 HG2 LYS 25 -23.408 -0.353 -5.733 168 HG3 LYS 25 HG3 LYS 25 -25.009 0.028 -6.372 169 HD2 LYS 25 HD2 LYS 25 -25.544 -1.951 -5.415 170 HD3 LYS 25 HD3 LYS 25 -24.907 -2.601 -6.927 171 HE2 LYS 25 HE2 LYS 25 -22.627 -2.480 -5.581 172 HE3 LYS 25 HE3 LYS 25 -23.719 -2.592 -4.202 173 HZ1 LYS 25 HZ1 LYS 25 -23.942 -4.751 -4.561 174 HZ2 LYS 25 HZ2 LYS 25 -22.809 -4.660 -5.814 175 HZ3 LYS 25 HZ3 LYS 25 -24.458 -4.489 -6.151 176 H GLU 26 H GLU 26 -23.148 1.185 -10.590 177 HA GLU 26 HA GLU 26 -20.820 -0.301 -11.543 178 HB2 GLU 26 HB2 GLU 26 -23.258 0.841 -12.873 179 HB3 GLU 26 HB3 GLU 26 -21.847 0.397 -13.824 180 HG2 GLU 26 HG2 GLU 26 -21.992 -1.889 -12.958 181 HG3 GLU 26 HG3 GLU 26 -23.426 -1.439 -12.037 182 H LYS 27 H LYS 27 -21.817 2.892 -10.869 183 HA LYS 27 HA LYS 27 -19.700 4.037 -12.550 184 HB2 LYS 27 HB2 LYS 27 -21.894 5.438 -11.011 185 HB3 LYS 27 HB3 LYS 27 -20.755 6.199 -12.114 186 HG2 LYS 27 HG2 LYS 27 -21.775 4.407 -13.787 187 HG3 LYS 27 HG3 LYS 27 -23.148 4.555 -12.688 188 HD2 LYS 27 HD2 LYS 27 -23.465 6.139 -14.441 189 HD3 LYS 27 HD3 LYS 27 -23.008 7.040 -12.994 190 HE2 LYS 27 HE2 LYS 27 -20.980 7.639 -13.842 191 HE3 LYS 27 HE3 LYS 27 -20.828 6.172 -14.808 192 HZ1 LYS 27 HZ1 LYS 27 -22.366 7.050 -16.399 193 HZ2 LYS 27 HZ2 LYS 27 -21.151 8.198 -16.147 194 HZ3 LYS 27 HZ3 LYS 27 -22.674 8.410 -15.441 195 H GLU 28 H GLU 28 -21.011 5.026 -9.396 196 HA GLU 28 HA GLU 28 -18.338 5.676 -8.488 197 HB2 GLU 28 HB2 GLU 28 -21.108 6.185 -7.513 198 HB3 GLU 28 HB3 GLU 28 -19.802 6.223 -6.337 199 HG2 GLU 28 HG2 GLU 28 -19.534 7.781 -8.861 200 HG3 GLU 28 HG3 GLU 28 -20.556 8.397 -7.563 201 H HIS 29 H HIS 29 -20.189 2.932 -8.534 202 HA HIS 29 HA HIS 29 -20.192 0.957 -7.394 203 HB2 HIS 29 HB2 HIS 29 -17.376 1.949 -7.090 204 HB3 HIS 29 HB3 HIS 29 -17.870 0.441 -6.326 205 HD1 HIS 29 HD1 HIS 29 -18.042 -1.600 -7.795 206 HD2 HIS 29 HD2 HIS 29 -17.497 1.904 -9.960 207 HE1 HIS 29 HE1 HIS 29 -17.606 -2.333 -10.161 208 H LEU 30 H LEU 30 -21.490 2.865 -5.972 209 HA LEU 30 HA LEU 30 -20.470 2.855 -3.246 210 HB2 LEU 30 HB2 LEU 30 -23.005 4.046 -4.361 211 HB3 LEU 30 HB3 LEU 30 -22.356 4.309 -2.744 212 HG LEU 30 HG LEU 30 -21.235 5.293 -5.362 213 HD11 LEU 30 HD11 LEU 30 -21.523 7.247 -3.297 214 HD12 LEU 30 HD12 LEU 30 -23.046 6.383 -3.505 215 HD13 LEU 30 HD13 LEU 30 -22.291 7.180 -4.884 216 HD21 LEU 30 HD21 LEU 30 -19.910 4.778 -2.806 217 HD22 LEU 30 HD22 LEU 30 -19.709 6.426 -3.400 218 HD23 LEU 30 HD23 LEU 30 -19.223 5.060 -4.406 219 H LEU 31 H LEU 31 -22.729 2.761 -1.732 220 HA LEU 31 HA LEU 31 -23.242 -0.040 -1.609 221 HB2 LEU 31 HB2 LEU 31 -24.432 2.291 -0.118 222 HB3 LEU 31 HB3 LEU 31 -24.805 0.605 0.234 223 HG LEU 31 HG LEU 31 -22.039 1.789 0.416 224 HD11 LEU 31 HD11 LEU 31 -23.739 1.115 2.779 225 HD12 LEU 31 HD12 LEU 31 -23.876 2.695 2.007 226 HD13 LEU 31 HD13 LEU 31 -22.330 2.171 2.675 227 HD21 LEU 31 HD21 LEU 31 -21.394 -0.219 1.419 228 HD22 LEU 31 HD22 LEU 31 -22.409 -0.723 0.067 229 HD23 LEU 31 HD23 LEU 31 -23.061 -0.719 1.706 230 H SER 32 H SER 32 -25.375 2.760 -2.186 231 HA SER 32 HA SER 32 -26.870 1.353 -4.176 232 HB2 SER 32 HB2 SER 32 -29.046 1.416 -2.965 233 HB3 SER 32 HB3 SER 32 -27.888 0.303 -2.236 234 HG SER 32 HG SER 32 -27.874 2.909 -1.279 235 H GLY 33 H GLY 33 -29.149 2.757 -4.344 236 HA2 GLY 33 HA2 GLY 33 -28.611 5.589 -3.977 237 HA3 GLY 33 HA3 GLY 33 -28.646 5.041 -5.647 238 H ARG 34 H ARG 34 -30.407 6.961 -4.704 239 HA ARG 34 HA ARG 34 -32.940 5.588 -5.145 240 HB2 ARG 34 HB2 ARG 34 -32.701 7.594 -2.910 241 HB3 ARG 34 HB3 ARG 34 -34.054 6.534 -3.276 242 HG2 ARG 34 HG2 ARG 34 -32.411 4.617 -2.782 243 HG3 ARG 34 HG3 ARG 34 -31.429 5.864 -2.010 244 HD2 ARG 34 HD2 ARG 34 -32.810 4.818 -0.344 245 HD3 ARG 34 HD3 ARG 34 -33.381 6.465 -0.607 246 HE ARG 34 HE ARG 34 -35.373 5.607 -1.312 247 HH11 ARG 34 HH11 ARG 34 -32.955 3.109 -1.494 248 HH12 ARG 34 HH12 ARG 34 -34.084 1.865 -1.913 249 HH21 ARG 34 HH21 ARG 34 -36.870 3.977 -1.864 250 HH22 ARG 34 HH22 ARG 34 -36.311 2.359 -2.124 251 H CYS 35 H CYS 35 -34.238 6.690 -6.484 252 HA CYS 35 HA CYS 35 -33.333 9.278 -7.443 253 HB2 CYS 35 HB2 CYS 35 -35.778 7.876 -8.466 254 HB3 CYS 35 HB3 CYS 35 -34.646 8.909 -9.332 255 H ARG 36 H ARG 36 -34.904 11.030 -7.806 256 HA ARG 36 HA ARG 36 -37.108 11.057 -5.867 257 HB2 ARG 36 HB2 ARG 36 -34.822 12.263 -5.210 258 HB3 ARG 36 HB3 ARG 36 -35.515 13.550 -6.186 259 HG2 ARG 36 HG2 ARG 36 -36.705 14.198 -4.441 260 HG3 ARG 36 HG3 ARG 36 -37.553 12.651 -4.463 261 HD2 ARG 36 HD2 ARG 36 -34.868 12.931 -3.159 262 HD3 ARG 36 HD3 ARG 36 -36.345 13.371 -2.302 263 HE ARG 36 HE ARG 36 -36.387 10.736 -3.469 264 HH11 ARG 36 HH11 ARG 36 -35.563 12.642 -0.675 265 HH12 ARG 36 HH12 ARG 36 -35.647 11.305 0.424 266 HH21 ARG 36 HH21 ARG 36 -36.501 8.968 -2.032 267 HH22 ARG 36 HH22 ARG 36 -36.180 9.216 -0.349 268 H ASP 37 H ASP 37 -38.205 13.428 -6.208 269 HA ASP 37 HA ASP 37 -39.258 13.297 -8.881 270 HB2 ASP 37 HB2 ASP 37 -40.612 13.795 -6.798 271 HB3 ASP 37 HB3 ASP 37 -39.860 15.388 -6.788 272 H ASP 38 H ASP 38 -36.623 14.817 -7.499 273 HA ASP 38 HA ASP 38 -36.705 17.167 -9.214 274 HB2 ASP 38 HB2 ASP 38 -34.520 17.707 -8.111 275 HB3 ASP 38 HB3 ASP 38 -35.869 17.537 -6.991 276 H PHE 39 H PHE 39 -36.339 14.238 -10.087 277 HA PHE 39 HA PHE 39 -35.225 13.107 -11.714 278 HB2 PHE 39 HB2 PHE 39 -34.888 15.957 -12.435 279 HB3 PHE 39 HB3 PHE 39 -33.778 14.833 -13.213 280 HD1 PHE 39 HD2 PHE 39 -37.416 15.197 -12.478 281 HD2 PHE 39 HD1 PHE 39 -34.420 13.867 -15.193 282 HE1 PHE 39 HE2 PHE 39 -39.161 14.613 -14.111 283 HE2 PHE 39 HE1 PHE 39 -36.160 13.281 -16.831 284 HZ PHE 39 HZ PHE 39 -38.534 13.652 -16.290 285 H ARG 40 H ARG 40 -33.887 13.920 -9.099 286 HA ARG 40 HA ARG 40 -31.113 13.387 -9.940 287 HB2 ARG 40 HB2 ARG 40 -31.951 14.732 -7.370 288 HB3 ARG 40 HB3 ARG 40 -30.325 14.594 -8.027 289 HG2 ARG 40 HG2 ARG 40 -31.977 15.884 -9.953 290 HG3 ARG 40 HG3 ARG 40 -32.192 16.676 -8.390 291 HD2 ARG 40 HD2 ARG 40 -29.574 16.531 -8.313 292 HD3 ARG 40 HD3 ARG 40 -29.739 16.400 -10.064 293 HE ARG 40 HE ARG 40 -30.030 18.751 -8.507 294 HH11 ARG 40 HH11 ARG 40 -31.312 17.118 -11.302 295 HH12 ARG 40 HH12 ARG 40 -31.819 18.578 -12.084 296 HH21 ARG 40 HH21 ARG 40 -30.693 20.680 -9.527 297 HH22 ARG 40 HH22 ARG 40 -31.466 20.604 -11.075 298 H CYS 41 H CYS 41 -30.027 11.722 -8.999 299 HA CYS 41 HA CYS 41 -31.560 10.065 -7.106 300 HB2 CYS 41 HB2 CYS 41 -31.139 9.047 -9.344 301 HB3 CYS 41 HB3 CYS 41 -29.410 9.161 -9.032 302 H TRP 42 H TRP 42 -30.766 9.883 -5.124 303 HA TRP 42 HA TRP 42 -28.059 10.823 -4.583 304 HB2 TRP 42 HB2 TRP 42 -30.438 10.214 -2.837 305 HB3 TRP 42 HB3 TRP 42 -28.837 10.486 -2.155 306 HD1 TRP 42 HD1 TRP 42 -31.394 12.355 -4.395 307 HE1 TRP 42 HE1 TRP 42 -31.155 14.875 -3.934 308 HE3 TRP 42 HE3 TRP 42 -27.447 12.215 -1.149 309 HZ2 TRP 42 HZ2 TRP 42 -29.511 16.580 -2.398 310 HZ3 TRP 42 HZ3 TRP 42 -26.601 14.335 -0.229 311 HH2 TRP 42 HH2 TRP 42 -27.613 16.471 -0.842 312 H CYS 43 H CYS 43 -26.400 9.501 -4.252 313 HA CYS 43 HA CYS 43 -26.936 6.634 -3.943 314 HB2 CYS 43 HB2 CYS 43 -24.287 7.934 -4.585 315 HB3 CYS 43 HB3 CYS 43 -24.733 6.242 -4.787 316 H THR 44 H THR 44 -26.279 5.490 -2.201 317 HA THR 44 HA THR 44 -25.191 7.026 0.046 318 HB THR 44 HB THR 44 -26.531 4.315 0.007 319 HG1 THR 44 HG1 THR 44 -27.463 6.766 1.116 320 HG21 THR 44 HG21 THR 44 -25.562 3.994 1.994 321 HG22 THR 44 HG22 THR 44 -26.541 5.330 2.599 322 HG23 THR 44 HG23 THR 44 -24.907 5.630 2.011 323 H ARG 45 H ARG 45 -23.211 6.673 0.845 324 HA ARG 45 HA ARG 45 -21.801 4.205 0.121 325 HB2 ARG 45 HB2 ARG 45 -19.804 5.395 -0.500 326 HB3 ARG 45 HB3 ARG 45 -21.143 6.018 -1.456 327 HG2 ARG 45 HG2 ARG 45 -21.313 7.941 0.059 328 HG3 ARG 45 HG3 ARG 45 -19.938 7.322 0.975 329 HD2 ARG 45 HD2 ARG 45 -19.856 8.003 -1.960 330 HD3 ARG 45 HD3 ARG 45 -19.360 9.103 -0.674 331 HE ARG 45 HE ARG 45 -17.910 6.816 -1.665 332 HH11 ARG 45 HH11 ARG 45 -18.338 9.042 0.977 333 HH12 ARG 45 HH12 ARG 45 -16.746 8.795 1.614 334 HH21 ARG 45 HH21 ARG 45 -15.812 6.482 -0.836 335 HH22 ARG 45 HH22 ARG 45 -15.309 7.340 0.581 336 H ASN 46 H ASN 46 -19.707 4.017 1.405 337 HA ASN 46 HA ASN 46 -20.345 4.337 4.179 338 HB2 ASN 46 HB2 ASN 46 -17.723 3.423 2.984 339 HB3 ASN 46 HB3 ASN 46 -18.320 3.109 4.611 340 HD21 ASN 46 HD21 ASN 46 -18.569 2.284 1.253 341 HD22 ASN 46 HD22 ASN 46 -19.506 0.847 1.465 342 H CYS 47 H CYS 47 -19.554 5.763 5.636 343 HA CYS 47 HA CYS 47 -17.274 7.426 5.059 344 HB2 CYS 47 HB2 CYS 47 -18.338 9.525 4.951 345 HB3 CYS 47 HB3 CYS 47 -19.284 8.496 3.881 Start of MODEL 8 1 H1 LYS 1 H LYS 1 -20.570 3.257 8.869 2 HA LYS 1 HA LYS 1 -23.185 4.539 9.230 3 HB2 LYS 1 HB2 LYS 1 -21.411 5.700 10.591 4 HB3 LYS 1 HB3 LYS 1 -20.593 6.082 9.082 5 HG2 LYS 1 HG2 LYS 1 -21.934 7.953 9.914 6 HG3 LYS 1 HG3 LYS 1 -22.493 7.382 8.340 7 HD2 LYS 1 HD2 LYS 1 -24.331 6.218 9.346 8 HD3 LYS 1 HD3 LYS 1 -23.714 6.544 10.967 9 HE2 LYS 1 HE2 LYS 1 -24.031 8.988 9.468 10 HE3 LYS 1 HE3 LYS 1 -25.538 8.074 9.506 11 HZ1 LYS 1 HZ1 LYS 1 -24.219 9.502 11.612 12 HZ2 LYS 1 HZ2 LYS 1 -24.631 7.925 12.062 13 HZ3 LYS 1 HZ3 LYS 1 -25.826 8.983 11.502 14 H THR 2 H THR 2 -23.741 6.027 7.466 15 HA THR 2 HA THR 2 -22.239 5.665 4.990 16 HB THR 2 HB THR 2 -24.481 5.212 3.803 17 HG1 THR 2 HG1 THR 2 -25.926 3.995 5.230 18 HG21 THR 2 HG21 THR 2 -22.871 3.502 3.743 19 HG22 THR 2 HG22 THR 2 -24.312 2.725 4.400 20 HG23 THR 2 HG23 THR 2 -22.999 3.202 5.476 21 H CYS 3 H CYS 3 -22.670 7.235 3.400 22 HA CYS 3 HA CYS 3 -24.291 9.515 4.326 23 HB2 CYS 3 HB2 CYS 3 -21.588 9.492 2.991 24 HB3 CYS 3 HB3 CYS 3 -22.614 10.923 3.001 25 H GLU 4 H GLU 4 -25.115 10.909 2.603 26 HA GLU 4 HA GLU 4 -25.569 9.414 0.104 27 HB2 GLU 4 HB2 GLU 4 -27.511 9.866 1.853 28 HB3 GLU 4 HB3 GLU 4 -27.548 11.433 1.056 29 HG2 GLU 4 HG2 GLU 4 -28.970 10.451 -0.351 30 HG3 GLU 4 HG3 GLU 4 -27.522 9.756 -1.077 31 H ASN 5 H ASN 5 -25.276 10.460 -1.793 32 HA ASN 5 HA ASN 5 -24.961 13.361 -1.808 33 HB2 ASN 5 HB2 ASN 5 -22.812 13.297 -2.916 34 HB3 ASN 5 HB3 ASN 5 -22.697 12.394 -1.408 35 HD21 ASN 5 HD21 ASN 5 -21.723 10.514 -1.530 36 HD22 ASN 5 HD22 ASN 5 -21.566 9.536 -2.946 37 H LEU 6 H LEU 6 -25.097 14.299 -3.917 38 HA LEU 6 HA LEU 6 -26.972 13.018 -5.603 39 HB2 LEU 6 HB2 LEU 6 -25.322 15.509 -5.841 40 HB3 LEU 6 HB3 LEU 6 -26.335 14.958 -7.173 41 HG LEU 6 HG LEU 6 -27.292 15.721 -4.415 42 HD11 LEU 6 HD11 LEU 6 -27.457 17.799 -5.162 43 HD12 LEU 6 HD12 LEU 6 -28.394 17.258 -6.554 44 HD13 LEU 6 HD13 LEU 6 -26.634 17.311 -6.643 45 HD21 LEU 6 HD21 LEU 6 -29.544 15.568 -5.541 46 HD22 LEU 6 HD22 LEU 6 -28.739 14.031 -5.224 47 HD23 LEU 6 HD23 LEU 6 -28.737 14.710 -6.853 48 H SER 7 H SER 7 -26.737 11.838 -7.414 49 HA SER 7 HA SER 7 -24.280 10.599 -7.995 50 HB2 SER 7 HB2 SER 7 -26.623 9.722 -8.491 51 HB3 SER 7 HB3 SER 7 -26.612 10.775 -9.906 52 HG SER 7 HG SER 7 -25.646 8.366 -9.760 53 H ASP 8 H ASP 8 -23.706 10.530 -10.547 54 HA ASP 8 HA ASP 8 -22.499 13.074 -11.054 55 HB2 ASP 8 HB2 ASP 8 -21.861 11.836 -13.267 56 HB3 ASP 8 HB3 ASP 8 -21.141 11.325 -11.744 57 H SER 9 H SER 9 -24.607 11.080 -13.133 58 HA SER 9 HA SER 9 -26.255 13.357 -13.783 59 HB2 SER 9 HB2 SER 9 -25.770 13.455 -16.131 60 HB3 SER 9 HB3 SER 9 -24.232 13.582 -15.278 61 HG SER 9 HG SER 9 -25.078 11.696 -17.031 62 H PHE 10 H PHE 10 -27.211 11.273 -12.550 63 HA PHE 10 HA PHE 10 -28.121 9.230 -14.389 64 HB2 PHE 10 HB2 PHE 10 -27.572 8.552 -12.127 65 HB3 PHE 10 HB3 PHE 10 -28.714 9.716 -11.464 66 HD1 PHE 10 HD2 PHE 10 -31.132 9.343 -11.683 67 HD2 PHE 10 HD1 PHE 10 -28.292 6.445 -12.968 68 HE1 PHE 10 HE2 PHE 10 -32.902 7.635 -11.730 69 HE2 PHE 10 HE1 PHE 10 -30.058 4.732 -13.018 70 HZ PHE 10 HZ PHE 10 -32.366 5.326 -12.398 71 H LYS 11 H LYS 11 -29.908 9.354 -15.563 72 HA LYS 11 HA LYS 11 -32.080 11.122 -14.656 73 HB2 LYS 11 HB2 LYS 11 -30.661 11.045 -17.259 74 HB3 LYS 11 HB3 LYS 11 -32.408 11.243 -17.324 75 HG2 LYS 11 HG2 LYS 11 -31.206 13.384 -17.345 76 HG3 LYS 11 HG3 LYS 11 -32.278 13.223 -15.953 77 HD2 LYS 11 HD2 LYS 11 -30.564 13.183 -14.471 78 HD3 LYS 11 HD3 LYS 11 -29.495 12.308 -15.569 79 HE2 LYS 11 HE2 LYS 11 -28.555 14.194 -16.308 80 HE3 LYS 11 HE3 LYS 11 -30.117 14.984 -16.517 81 HZ1 LYS 11 HZ1 LYS 11 -30.040 15.893 -14.450 82 HZ2 LYS 11 HZ2 LYS 11 -28.379 15.826 -14.759 83 HZ3 LYS 11 HZ3 LYS 11 -29.107 14.645 -13.792 84 H GLY 12 H GLY 12 -34.079 10.628 -16.251 85 HA2 GLY 12 HA2 GLY 12 -35.596 9.076 -17.062 86 HA3 GLY 12 HA3 GLY 12 -34.346 7.846 -16.954 87 HA PRO 13 HA PRO 13 -37.585 7.493 -13.495 88 HB2 PRO 13 HB2 PRO 13 -38.872 5.285 -14.411 89 HB3 PRO 13 HB3 PRO 13 -39.372 6.929 -14.825 90 HG2 PRO 13 HG2 PRO 13 -37.742 4.987 -16.417 91 HG3 PRO 13 HG3 PRO 13 -39.052 6.054 -16.956 92 HD2 PRO 13 HD2 PRO 13 -36.439 6.648 -17.339 93 HD3 PRO 13 HD3 PRO 13 -37.673 7.897 -17.073 94 H CYS 14 H CYS 14 -37.995 5.373 -12.223 95 HA CYS 14 HA CYS 14 -35.665 3.592 -12.389 96 HB2 CYS 14 HB2 CYS 14 -36.678 5.000 -9.914 97 HB3 CYS 14 HB3 CYS 14 -35.550 3.648 -9.876 98 H ILE 15 H ILE 15 -35.955 1.570 -11.162 99 HA ILE 15 HA ILE 15 -38.795 0.786 -11.069 100 HB ILE 15 HB ILE 15 -37.841 -1.574 -11.448 101 HG12 ILE 15 HG12 ILE 15 -35.548 0.064 -12.550 102 HG13 ILE 15 HG13 ILE 15 -35.472 -0.902 -11.081 103 HG21 ILE 15 HG21 ILE 15 -39.060 0.067 -13.076 104 HG22 ILE 15 HG22 ILE 15 -37.481 0.149 -13.856 105 HG23 ILE 15 HG23 ILE 15 -38.306 -1.402 -13.695 106 HD11 ILE 15 HD11 ILE 15 -36.395 -2.656 -13.022 107 HD12 ILE 15 HD12 ILE 15 -35.152 -1.699 -13.829 108 HD13 ILE 15 HD13 ILE 15 -34.768 -2.574 -12.346 109 HA PRO 16 HA PRO 16 -38.370 -0.467 -6.884 110 HB2 PRO 16 HB2 PRO 16 -39.916 -2.698 -6.803 111 HB3 PRO 16 HB3 PRO 16 -40.587 -1.069 -6.948 112 HG2 PRO 16 HG2 PRO 16 -40.105 -3.116 -9.079 113 HG3 PRO 16 HG3 PRO 16 -41.508 -2.057 -8.841 114 HD2 PRO 16 HD2 PRO 16 -39.571 -1.524 -10.658 115 HD3 PRO 16 HD3 PRO 16 -40.462 -0.244 -9.808 116 H ASP 17 H ASP 17 -37.159 -2.369 -9.404 117 HA ASP 17 HA ASP 17 -36.052 -4.406 -7.624 118 HB2 ASP 17 HB2 ASP 17 -37.072 -4.768 -10.033 119 HB3 ASP 17 HB3 ASP 17 -35.450 -4.315 -10.550 120 H GLY 18 H GLY 18 -35.224 -1.402 -8.905 121 HA2 GLY 18 HA2 GLY 18 -32.722 -1.279 -7.691 122 HA3 GLY 18 HA3 GLY 18 -32.451 -1.751 -9.362 123 H ASN 19 H ASN 19 -33.434 0.798 -7.218 124 HA ASN 19 HA ASN 19 -33.867 2.643 -9.439 125 HB2 ASN 19 HB2 ASN 19 -34.350 4.258 -7.486 126 HB3 ASN 19 HB3 ASN 19 -35.498 2.956 -7.781 127 HD21 ASN 19 HD21 ASN 19 -36.186 3.218 -5.607 128 HD22 ASN 19 HD22 ASN 19 -35.277 2.529 -4.309 129 H CYS 20 H CYS 20 -31.882 3.080 -10.300 130 HA CYS 20 HA CYS 20 -29.867 4.108 -10.529 131 HB2 CYS 20 HB2 CYS 20 -31.161 5.912 -9.232 132 HB3 CYS 20 HB3 CYS 20 -30.270 5.359 -7.819 133 H ASN 21 H ASN 21 -30.326 1.595 -8.822 134 HA ASN 21 HA ASN 21 -28.139 1.579 -6.964 135 HB2 ASN 21 HB2 ASN 21 -30.138 0.178 -6.620 136 HB3 ASN 21 HB3 ASN 21 -29.752 -0.725 -8.082 137 HD21 ASN 21 HD21 ASN 21 -29.433 -2.683 -7.163 138 HD22 ASN 21 HD22 ASN 21 -28.155 -3.031 -6.053 139 H LYS 22 H LYS 22 -28.720 -0.504 -9.799 140 HA LYS 22 HA LYS 22 -26.155 -1.457 -10.102 141 HB2 LYS 22 HB2 LYS 22 -26.749 -2.054 -12.348 142 HB3 LYS 22 HB3 LYS 22 -28.182 -2.238 -11.345 143 HG2 LYS 22 HG2 LYS 22 -28.568 0.271 -12.179 144 HG3 LYS 22 HG3 LYS 22 -27.632 -0.346 -13.543 145 HD2 LYS 22 HD2 LYS 22 -29.216 -2.044 -13.986 146 HD3 LYS 22 HD3 LYS 22 -30.023 -1.798 -12.436 147 HE2 LYS 22 HE2 LYS 22 -31.447 -0.454 -13.491 148 HE3 LYS 22 HE3 LYS 22 -30.117 0.685 -13.693 149 HZ1 LYS 22 HZ1 LYS 22 -30.546 0.422 -15.858 150 HZ2 LYS 22 HZ2 LYS 22 -31.386 -1.029 -15.638 151 HZ3 LYS 22 HZ3 LYS 22 -29.696 -1.033 -15.713 152 H HIS 23 H HIS 23 -27.495 1.609 -11.151 153 HA HIS 23 HA HIS 23 -25.391 2.387 -12.862 154 HB2 HIS 23 HB2 HIS 23 -27.795 3.420 -12.395 155 HB3 HIS 23 HB3 HIS 23 -26.877 4.444 -11.295 156 HD1 HIS 23 HD1 HIS 23 -27.462 3.780 -14.911 157 HD2 HIS 23 HD2 HIS 23 -25.107 6.249 -12.541 158 HE1 HIS 23 HE1 HIS 23 -26.526 5.516 -16.471 159 H CYS 24 H CYS 24 -26.098 3.621 -9.588 160 HA CYS 24 HA CYS 24 -23.612 4.863 -9.229 161 HB2 CYS 24 HB2 CYS 24 -25.665 3.866 -7.255 162 HB3 CYS 24 HB3 CYS 24 -24.217 4.736 -6.760 163 H LYS 25 H LYS 25 -24.490 1.568 -9.114 164 HA LYS 25 HA LYS 25 -22.229 0.791 -7.454 165 HB2 LYS 25 HB2 LYS 25 -24.482 -0.718 -8.758 166 HB3 LYS 25 HB3 LYS 25 -23.102 -1.557 -8.062 167 HG2 LYS 25 HG2 LYS 25 -23.622 -0.248 -5.925 168 HG3 LYS 25 HG3 LYS 25 -25.178 0.104 -6.681 169 HD2 LYS 25 HD2 LYS 25 -25.602 -1.813 -5.423 170 HD3 LYS 25 HD3 LYS 25 -25.332 -2.440 -7.051 171 HE2 LYS 25 HE2 LYS 25 -22.871 -2.222 -5.523 172 HE3 LYS 25 HE3 LYS 25 -24.058 -3.260 -4.734 173 HZ1 LYS 25 HZ1 LYS 25 -23.147 -3.538 -7.548 174 HZ2 LYS 25 HZ2 LYS 25 -24.236 -4.557 -6.748 175 HZ3 LYS 25 HZ3 LYS 25 -22.619 -4.492 -6.254 176 H GLU 26 H GLU 26 -23.064 1.100 -10.790 177 HA GLU 26 HA GLU 26 -20.780 -0.513 -11.641 178 HB2 GLU 26 HB2 GLU 26 -23.125 0.702 -13.068 179 HB3 GLU 26 HB3 GLU 26 -21.707 0.179 -13.966 180 HG2 GLU 26 HG2 GLU 26 -21.976 -2.080 -13.053 181 HG3 GLU 26 HG3 GLU 26 -23.420 -1.548 -12.194 182 H LYS 27 H LYS 27 -21.652 2.734 -11.061 183 HA LYS 27 HA LYS 27 -19.436 3.746 -12.698 184 HB2 LYS 27 HB2 LYS 27 -21.606 5.288 -11.263 185 HB3 LYS 27 HB3 LYS 27 -20.409 5.959 -12.363 186 HG2 LYS 27 HG2 LYS 27 -21.475 4.158 -14.000 187 HG3 LYS 27 HG3 LYS 27 -22.863 4.408 -12.940 188 HD2 LYS 27 HD2 LYS 27 -23.051 5.940 -14.766 189 HD3 LYS 27 HD3 LYS 27 -22.614 6.867 -13.329 190 HE2 LYS 27 HE2 LYS 27 -20.499 7.311 -14.093 191 HE3 LYS 27 HE3 LYS 27 -20.434 5.855 -15.085 192 HZ1 LYS 27 HZ1 LYS 27 -22.458 7.680 -15.953 193 HZ2 LYS 27 HZ2 LYS 27 -21.212 6.955 -16.837 194 HZ3 LYS 27 HZ3 LYS 27 -20.919 8.383 -15.978 195 H GLU 28 H GLU 28 -20.813 4.825 -9.599 196 HA GLU 28 HA GLU 28 -18.163 5.447 -8.621 197 HB2 GLU 28 HB2 GLU 28 -20.954 5.910 -7.648 198 HB3 GLU 28 HB3 GLU 28 -19.620 6.030 -6.510 199 HG2 GLU 28 HG2 GLU 28 -18.870 7.961 -7.380 200 HG3 GLU 28 HG3 GLU 28 -19.265 7.495 -9.034 201 H HIS 29 H HIS 29 -20.118 2.735 -8.649 202 HA HIS 29 HA HIS 29 -20.126 0.751 -7.530 203 HB2 HIS 29 HB2 HIS 29 -17.300 1.706 -7.194 204 HB3 HIS 29 HB3 HIS 29 -17.823 0.203 -6.440 205 HD1 HIS 29 HD1 HIS 29 -17.241 -1.742 -7.830 206 HD2 HIS 29 HD2 HIS 29 -18.156 1.579 -10.152 207 HE1 HIS 29 HE1 HIS 29 -16.982 -2.497 -10.214 208 H LEU 30 H LEU 30 -21.388 2.717 -6.123 209 HA LEU 30 HA LEU 30 -20.405 2.680 -3.387 210 HB2 LEU 30 HB2 LEU 30 -22.894 3.921 -4.551 211 HB3 LEU 30 HB3 LEU 30 -22.294 4.155 -2.910 212 HG LEU 30 HG LEU 30 -21.053 5.136 -5.476 213 HD11 LEU 30 HD11 LEU 30 -21.383 7.122 -3.479 214 HD12 LEU 30 HD12 LEU 30 -22.907 6.250 -3.641 215 HD13 LEU 30 HD13 LEU 30 -22.168 7.001 -5.054 216 HD21 LEU 30 HD21 LEU 30 -19.890 4.698 -2.799 217 HD22 LEU 30 HD22 LEU 30 -19.556 6.259 -3.548 218 HD23 LEU 30 HD23 LEU 30 -19.113 4.768 -4.380 219 H LEU 31 H LEU 31 -22.600 2.585 -1.846 220 HA LEU 31 HA LEU 31 -23.183 -0.189 -1.736 221 HB2 LEU 31 HB2 LEU 31 -24.354 2.166 -0.269 222 HB3 LEU 31 HB3 LEU 31 -24.763 0.489 0.085 223 HG LEU 31 HG LEU 31 -22.037 1.750 0.380 224 HD11 LEU 31 HD11 LEU 31 -22.400 1.869 2.646 225 HD12 LEU 31 HD12 LEU 31 -23.672 0.648 2.618 226 HD13 LEU 31 HD13 LEU 31 -23.999 2.274 2.020 227 HD21 LEU 31 HD21 LEU 31 -21.232 -0.317 0.332 228 HD22 LEU 31 HD22 LEU 31 -22.851 -0.988 0.131 229 HD23 LEU 31 HD23 LEU 31 -22.212 -0.695 1.749 230 H SER 32 H SER 32 -25.278 2.631 -2.351 231 HA SER 32 HA SER 32 -26.767 1.232 -4.350 232 HB2 SER 32 HB2 SER 32 -28.788 0.842 -3.273 233 HB3 SER 32 HB3 SER 32 -27.633 0.440 -2.002 234 HG SER 32 HG SER 32 -29.193 2.776 -2.298 235 H GLY 33 H GLY 33 -29.085 2.683 -4.409 236 HA2 GLY 33 HA2 GLY 33 -28.539 5.495 -4.063 237 HA3 GLY 33 HA3 GLY 33 -28.500 4.972 -5.741 238 H ARG 34 H ARG 34 -30.294 6.840 -5.188 239 HA ARG 34 HA ARG 34 -32.818 5.409 -5.482 240 HB2 ARG 34 HB2 ARG 34 -32.643 7.747 -3.589 241 HB3 ARG 34 HB3 ARG 34 -33.982 6.630 -3.817 242 HG2 ARG 34 HG2 ARG 34 -32.357 4.829 -2.973 243 HG3 ARG 34 HG3 ARG 34 -31.387 6.186 -2.396 244 HD2 ARG 34 HD2 ARG 34 -32.786 6.607 -0.699 245 HD3 ARG 34 HD3 ARG 34 -34.215 6.404 -1.712 246 HE ARG 34 HE ARG 34 -33.057 3.889 -1.190 247 HH11 ARG 34 HH11 ARG 34 -34.844 6.429 0.384 248 HH12 ARG 34 HH12 ARG 34 -35.585 5.370 1.538 249 HH21 ARG 34 HH21 ARG 34 -34.026 2.486 0.324 250 HH22 ARG 34 HH22 ARG 34 -35.119 3.128 1.503 251 H CYS 35 H CYS 35 -34.619 7.136 -5.936 252 HA CYS 35 HA CYS 35 -33.532 9.334 -7.548 253 HB2 CYS 35 HB2 CYS 35 -35.835 7.770 -8.637 254 HB3 CYS 35 HB3 CYS 35 -34.632 8.731 -9.491 255 H ARG 36 H ARG 36 -34.615 11.197 -7.328 256 HA ARG 36 HA ARG 36 -37.120 11.133 -5.790 257 HB2 ARG 36 HB2 ARG 36 -34.893 12.463 -5.144 258 HB3 ARG 36 HB3 ARG 36 -35.627 13.674 -6.186 259 HG2 ARG 36 HG2 ARG 36 -37.231 14.174 -4.696 260 HG3 ARG 36 HG3 ARG 36 -37.424 12.497 -4.183 261 HD2 ARG 36 HD2 ARG 36 -35.281 12.702 -2.932 262 HD3 ARG 36 HD3 ARG 36 -35.256 14.416 -3.347 263 HE ARG 36 HE ARG 36 -37.709 13.853 -2.139 264 HH11 ARG 36 HH11 ARG 36 -34.325 13.941 -1.324 265 HH12 ARG 36 HH12 ARG 36 -34.602 14.333 0.340 266 HH21 ARG 36 HH21 ARG 36 -38.087 14.370 0.051 267 HH22 ARG 36 HH22 ARG 36 -36.742 14.576 1.122 268 H ASP 37 H ASP 37 -38.241 13.498 -6.284 269 HA ASP 37 HA ASP 37 -39.257 13.173 -8.956 270 HB2 ASP 37 HB2 ASP 37 -41.014 14.499 -8.299 271 HB3 ASP 37 HB3 ASP 37 -40.471 13.932 -6.722 272 H ASP 38 H ASP 38 -36.848 15.081 -7.446 273 HA ASP 38 HA ASP 38 -36.884 17.233 -9.351 274 HB2 ASP 38 HB2 ASP 38 -34.662 17.803 -8.274 275 HB3 ASP 38 HB3 ASP 38 -36.049 17.769 -7.188 276 H PHE 39 H PHE 39 -36.363 14.208 -9.981 277 HA PHE 39 HA PHE 39 -35.243 13.044 -11.581 278 HB2 PHE 39 HB2 PHE 39 -34.993 15.860 -12.469 279 HB3 PHE 39 HB3 PHE 39 -33.870 14.714 -13.195 280 HD1 PHE 39 HD1 PHE 39 -37.504 15.044 -12.427 281 HD2 PHE 39 HD2 PHE 39 -34.519 13.623 -15.107 282 HE1 PHE 39 HE1 PHE 39 -39.259 14.329 -13.997 283 HE2 PHE 39 HE2 PHE 39 -36.269 12.907 -16.681 284 HZ PHE 39 HZ PHE 39 -38.642 13.260 -16.128 285 H ARG 40 H ARG 40 -33.911 14.171 -9.036 286 HA ARG 40 HA ARG 40 -31.108 13.828 -9.850 287 HB2 ARG 40 HB2 ARG 40 -32.124 14.822 -7.187 288 HB3 ARG 40 HB3 ARG 40 -30.485 14.925 -7.813 289 HG2 ARG 40 HG2 ARG 40 -32.259 16.207 -9.642 290 HG3 ARG 40 HG3 ARG 40 -32.548 16.825 -8.015 291 HD2 ARG 40 HD2 ARG 40 -29.916 16.917 -7.951 292 HD3 ARG 40 HD3 ARG 40 -30.100 16.974 -9.703 293 HE ARG 40 HE ARG 40 -30.583 19.091 -7.883 294 HH11 ARG 40 HH11 ARG 40 -31.774 17.668 -10.829 295 HH12 ARG 40 HH12 ARG 40 -32.440 19.151 -11.429 296 HH21 ARG 40 HH21 ARG 40 -31.456 21.049 -8.663 297 HH22 ARG 40 HH22 ARG 40 -32.258 21.073 -10.197 298 H CYS 41 H CYS 41 -29.880 12.184 -9.084 299 HA CYS 41 HA CYS 41 -31.267 10.156 -7.470 300 HB2 CYS 41 HB2 CYS 41 -30.619 9.162 -9.498 301 HB3 CYS 41 HB3 CYS 41 -29.067 9.992 -9.513 302 H TRP 42 H TRP 42 -30.449 9.454 -5.566 303 HA TRP 42 HA TRP 42 -27.965 10.740 -4.637 304 HB2 TRP 42 HB2 TRP 42 -30.499 10.030 -3.172 305 HB3 TRP 42 HB3 TRP 42 -28.987 10.314 -2.315 306 HD1 TRP 42 HD1 TRP 42 -31.392 12.185 -4.706 307 HE1 TRP 42 HE1 TRP 42 -31.241 14.700 -4.176 308 HE3 TRP 42 HE3 TRP 42 -27.673 12.055 -1.201 309 HZ2 TRP 42 HZ2 TRP 42 -29.743 16.402 -2.496 310 HZ3 TRP 42 HZ3 TRP 42 -26.938 14.170 -0.181 311 HH2 TRP 42 HH2 TRP 42 -27.953 16.298 -0.817 312 H CYS 43 H CYS 43 -26.322 9.373 -4.505 313 HA CYS 43 HA CYS 43 -26.834 6.518 -4.162 314 HB2 CYS 43 HB2 CYS 43 -24.155 7.822 -4.635 315 HB3 CYS 43 HB3 CYS 43 -24.618 6.151 -4.941 316 H THR 44 H THR 44 -26.182 5.339 -2.428 317 HA THR 44 HA THR 44 -25.247 6.864 -0.103 318 HB THR 44 HB THR 44 -26.549 4.139 -0.258 319 HG1 THR 44 HG1 THR 44 -28.260 5.391 -0.291 320 HG21 THR 44 HG21 THR 44 -25.632 3.763 1.746 321 HG22 THR 44 HG22 THR 44 -26.655 5.060 2.363 322 HG23 THR 44 HG23 THR 44 -25.007 5.408 1.843 323 H ARG 45 H ARG 45 -23.316 6.505 0.818 324 HA ARG 45 HA ARG 45 -21.816 4.093 0.083 325 HB2 ARG 45 HB2 ARG 45 -19.816 5.337 -0.387 326 HB3 ARG 45 HB3 ARG 45 -21.112 5.990 -1.380 327 HG2 ARG 45 HG2 ARG 45 -21.378 7.849 0.177 328 HG3 ARG 45 HG3 ARG 45 -20.084 7.192 1.181 329 HD2 ARG 45 HD2 ARG 45 -19.745 7.972 -1.709 330 HD3 ARG 45 HD3 ARG 45 -19.386 9.041 -0.354 331 HE ARG 45 HE ARG 45 -18.047 6.491 -0.246 332 HH11 ARG 45 HH11 ARG 45 -17.909 9.778 -1.384 333 HH12 ARG 45 HH12 ARG 45 -16.181 9.801 -1.506 334 HH21 ARG 45 HH21 ARG 45 -15.771 6.509 -0.403 335 HH22 ARG 45 HH22 ARG 45 -14.966 7.941 -0.949 336 H ASN 46 H ASN 46 -19.825 3.853 1.485 337 HA ASN 46 HA ASN 46 -20.618 4.075 4.225 338 HB2 ASN 46 HB2 ASN 46 -17.917 3.236 3.157 339 HB3 ASN 46 HB3 ASN 46 -18.610 2.849 4.729 340 HD21 ASN 46 HD21 ASN 46 -18.609 2.141 1.342 341 HD22 ASN 46 HD22 ASN 46 -19.549 0.694 1.432 342 H CYS 47 H CYS 47 -19.950 5.467 5.768 343 HA CYS 47 HA CYS 47 -17.654 7.168 5.396 344 HB2 CYS 47 HB2 CYS 47 -18.728 9.256 5.277 345 HB3 CYS 47 HB3 CYS 47 -19.612 8.252 4.132 Start of MODEL 9 1 H1 LYS 1 H LYS 1 -20.024 3.913 9.604 2 HA LYS 1 HA LYS 1 -22.576 5.008 9.185 3 HB2 LYS 1 HB2 LYS 1 -20.620 6.119 10.328 4 HB3 LYS 1 HB3 LYS 1 -19.943 6.417 8.732 5 HG2 LYS 1 HG2 LYS 1 -21.108 8.374 9.625 6 HG3 LYS 1 HG3 LYS 1 -21.854 7.779 8.139 7 HD2 LYS 1 HD2 LYS 1 -23.765 7.170 9.188 8 HD3 LYS 1 HD3 LYS 1 -22.924 6.674 10.659 9 HE2 LYS 1 HE2 LYS 1 -22.738 9.531 10.221 10 HE3 LYS 1 HE3 LYS 1 -24.415 8.990 10.286 11 HZ1 LYS 1 HZ1 LYS 1 -22.568 8.001 12.330 12 HZ2 LYS 1 HZ2 LYS 1 -24.221 8.340 12.443 13 HZ3 LYS 1 HZ3 LYS 1 -23.096 9.603 12.451 14 H THR 2 H THR 2 -23.217 6.470 7.424 15 HA THR 2 HA THR 2 -21.977 5.945 4.835 16 HB THR 2 HB THR 2 -24.341 5.572 3.880 17 HG1 THR 2 HG1 THR 2 -25.904 5.308 5.280 18 HG21 THR 2 HG21 THR 2 -22.863 3.515 5.510 19 HG22 THR 2 HG22 THR 2 -22.774 3.797 3.772 20 HG23 THR 2 HG23 THR 2 -24.235 3.110 4.480 21 H CYS 3 H CYS 3 -22.454 7.492 3.244 22 HA CYS 3 HA CYS 3 -23.882 9.877 4.223 23 HB2 CYS 3 HB2 CYS 3 -21.310 9.673 2.664 24 HB3 CYS 3 HB3 CYS 3 -22.261 11.155 2.706 25 H GLU 4 H GLU 4 -24.780 11.260 2.525 26 HA GLU 4 HA GLU 4 -25.523 9.712 0.129 27 HB2 GLU 4 HB2 GLU 4 -27.282 10.314 2.021 28 HB3 GLU 4 HB3 GLU 4 -27.315 11.855 1.176 29 HG2 GLU 4 HG2 GLU 4 -28.787 10.982 -0.219 30 HG3 GLU 4 HG3 GLU 4 -27.512 9.926 -0.825 31 H ASN 5 H ASN 5 -25.199 10.641 -1.801 32 HA ASN 5 HA ASN 5 -24.815 13.537 -1.960 33 HB2 ASN 5 HB2 ASN 5 -22.761 13.304 -3.257 34 HB3 ASN 5 HB3 ASN 5 -22.567 12.556 -1.675 35 HD21 ASN 5 HD21 ASN 5 -22.120 10.428 -1.536 36 HD22 ASN 5 HD22 ASN 5 -21.915 9.387 -2.900 37 H LEU 6 H LEU 6 -25.127 14.415 -4.054 38 HA LEU 6 HA LEU 6 -27.119 13.109 -5.579 39 HB2 LEU 6 HB2 LEU 6 -25.471 15.579 -6.013 40 HB3 LEU 6 HB3 LEU 6 -26.620 15.011 -7.222 41 HG LEU 6 HG LEU 6 -27.280 15.861 -4.403 42 HD11 LEU 6 HD11 LEU 6 -26.819 17.390 -6.704 43 HD12 LEU 6 HD12 LEU 6 -27.546 17.917 -5.187 44 HD13 LEU 6 HD13 LEU 6 -28.570 17.334 -6.499 45 HD21 LEU 6 HD21 LEU 6 -28.836 14.191 -4.969 46 HD22 LEU 6 HD22 LEU 6 -28.959 14.753 -6.636 47 HD23 LEU 6 HD23 LEU 6 -29.643 15.717 -5.327 48 H SER 7 H SER 7 -27.010 11.870 -7.358 49 HA SER 7 HA SER 7 -24.674 10.540 -8.073 50 HB2 SER 7 HB2 SER 7 -26.993 9.748 -8.553 51 HB3 SER 7 HB3 SER 7 -27.101 10.955 -9.835 52 HG SER 7 HG SER 7 -25.304 8.766 -9.678 53 H ASP 8 H ASP 8 -24.021 10.487 -10.555 54 HA ASP 8 HA ASP 8 -22.730 12.992 -11.046 55 HB2 ASP 8 HB2 ASP 8 -22.034 11.747 -13.214 56 HB3 ASP 8 HB3 ASP 8 -21.429 11.157 -11.668 57 H SER 9 H SER 9 -24.928 11.053 -13.085 58 HA SER 9 HA SER 9 -26.408 13.413 -13.843 59 HB2 SER 9 HB2 SER 9 -25.925 13.364 -16.188 60 HB3 SER 9 HB3 SER 9 -24.375 13.399 -15.347 61 HG SER 9 HG SER 9 -24.060 11.285 -15.820 62 H PHE 10 H PHE 10 -27.179 11.107 -12.494 63 HA PHE 10 HA PHE 10 -28.471 9.322 -14.368 64 HB2 PHE 10 HB2 PHE 10 -27.576 8.405 -12.293 65 HB3 PHE 10 HB3 PHE 10 -28.604 9.478 -11.350 66 HD1 PHE 10 HD1 PHE 10 -31.045 9.128 -11.306 67 HD2 PHE 10 HD2 PHE 10 -28.411 6.387 -13.220 68 HE1 PHE 10 HE1 PHE 10 -32.819 7.423 -11.298 69 HE2 PHE 10 HE2 PHE 10 -30.180 4.678 -13.216 70 HZ PHE 10 HZ PHE 10 -32.388 5.195 -12.255 71 H LYS 11 H LYS 11 -30.322 9.815 -15.319 72 HA LYS 11 HA LYS 11 -32.330 11.339 -13.799 73 HB2 LYS 11 HB2 LYS 11 -31.199 11.871 -16.491 74 HB3 LYS 11 HB3 LYS 11 -32.934 12.095 -16.305 75 HG2 LYS 11 HG2 LYS 11 -31.694 14.173 -15.961 76 HG3 LYS 11 HG3 LYS 11 -32.567 13.678 -14.508 77 HD2 LYS 11 HD2 LYS 11 -30.670 13.325 -13.334 78 HD3 LYS 11 HD3 LYS 11 -29.802 12.683 -14.730 79 HE2 LYS 11 HE2 LYS 11 -28.739 14.623 -14.922 80 HE3 LYS 11 HE3 LYS 11 -30.281 15.410 -15.253 81 HZ1 LYS 11 HZ1 LYS 11 -30.376 15.225 -12.602 82 HZ2 LYS 11 HZ2 LYS 11 -29.748 16.566 -13.418 83 HZ3 LYS 11 HZ3 LYS 11 -28.705 15.377 -12.818 84 H GLY 12 H GLY 12 -31.999 8.455 -14.229 85 HA2 GLY 12 HA2 GLY 12 -34.214 7.812 -16.035 86 HA3 GLY 12 HA3 GLY 12 -33.105 6.660 -15.308 87 HA PRO 13 HA PRO 13 -37.214 7.220 -12.891 88 HB2 PRO 13 HB2 PRO 13 -38.684 5.209 -13.970 89 HB3 PRO 13 HB3 PRO 13 -38.730 6.867 -14.581 90 HG2 PRO 13 HG2 PRO 13 -37.214 4.506 -15.624 91 HG3 PRO 13 HG3 PRO 13 -38.122 5.738 -16.520 92 HD2 PRO 13 HD2 PRO 13 -35.425 5.795 -16.292 93 HD3 PRO 13 HD3 PRO 13 -36.406 7.271 -16.400 94 H CYS 14 H CYS 14 -37.758 5.905 -11.150 95 HA CYS 14 HA CYS 14 -35.847 3.828 -10.538 96 HB2 CYS 14 HB2 CYS 14 -37.861 5.403 -9.043 97 HB3 CYS 14 HB3 CYS 14 -37.533 3.786 -8.429 98 H ILE 15 H ILE 15 -36.806 1.839 -9.328 99 HA ILE 15 HA ILE 15 -39.313 0.851 -10.326 100 HB ILE 15 HB ILE 15 -38.011 -1.243 -11.271 101 HG12 ILE 15 HG12 ILE 15 -36.133 0.871 -12.239 102 HG13 ILE 15 HG13 ILE 15 -35.827 0.126 -10.674 103 HG21 ILE 15 HG21 ILE 15 -38.107 1.140 -13.073 104 HG22 ILE 15 HG22 ILE 15 -38.568 -0.530 -13.399 105 HG23 ILE 15 HG23 ILE 15 -39.593 0.485 -12.385 106 HD11 ILE 15 HD11 ILE 15 -34.899 -1.614 -11.665 107 HD12 ILE 15 HD12 ILE 15 -36.377 -1.919 -12.577 108 HD13 ILE 15 HD13 ILE 15 -35.148 -0.835 -13.227 109 HA PRO 16 HA PRO 16 -39.104 -1.712 -6.770 110 HB2 PRO 16 HB2 PRO 16 -40.363 -3.972 -7.592 111 HB3 PRO 16 HB3 PRO 16 -41.215 -2.453 -7.291 112 HG2 PRO 16 HG2 PRO 16 -40.304 -3.631 -9.888 113 HG3 PRO 16 HG3 PRO 16 -41.841 -2.838 -9.498 114 HD2 PRO 16 HD2 PRO 16 -39.836 -1.567 -10.800 115 HD3 PRO 16 HD3 PRO 16 -40.947 -0.724 -9.702 116 H ASP 17 H ASP 17 -37.443 -2.548 -9.590 117 HA ASP 17 HA ASP 17 -36.176 -4.879 -8.326 118 HB2 ASP 17 HB2 ASP 17 -36.600 -4.029 -11.146 119 HB3 ASP 17 HB3 ASP 17 -35.126 -4.923 -10.786 120 H GLY 18 H GLY 18 -35.641 -1.613 -9.316 121 HA2 GLY 18 HA2 GLY 18 -33.838 -0.372 -8.308 122 HA3 GLY 18 HA3 GLY 18 -32.863 -1.833 -8.358 123 H ASN 19 H ASN 19 -33.447 1.100 -9.822 124 HA ASN 19 HA ASN 19 -32.112 0.219 -12.298 125 HB2 ASN 19 HB2 ASN 19 -34.278 0.961 -12.931 126 HB3 ASN 19 HB3 ASN 19 -34.190 2.363 -11.869 127 HD21 ASN 19 HD21 ASN 19 -32.048 0.992 -14.345 128 HD22 ASN 19 HD22 ASN 19 -31.893 2.450 -15.259 129 H CYS 20 H CYS 20 -32.313 2.642 -9.770 130 HA CYS 20 HA CYS 20 -30.051 4.119 -10.854 131 HB2 CYS 20 HB2 CYS 20 -32.024 5.279 -9.824 132 HB3 CYS 20 HB3 CYS 20 -31.547 4.599 -8.272 133 H ASN 21 H ASN 21 -30.652 1.575 -8.674 134 HA ASN 21 HA ASN 21 -28.432 1.992 -6.925 135 HB2 ASN 21 HB2 ASN 21 -28.884 -0.285 -6.141 136 HB3 ASN 21 HB3 ASN 21 -30.377 0.644 -6.254 137 HD21 ASN 21 HD21 ASN 21 -29.849 -2.263 -6.323 138 HD22 ASN 21 HD22 ASN 21 -30.586 -2.825 -7.781 139 H LYS 22 H LYS 22 -29.007 -0.136 -9.713 140 HA LYS 22 HA LYS 22 -26.470 -1.353 -9.718 141 HB2 LYS 22 HB2 LYS 22 -27.003 -1.946 -12.075 142 HB3 LYS 22 HB3 LYS 22 -28.294 -2.340 -10.948 143 HG2 LYS 22 HG2 LYS 22 -29.630 -1.323 -12.413 144 HG3 LYS 22 HG3 LYS 22 -28.985 0.179 -11.746 145 HD2 LYS 22 HD2 LYS 22 -28.617 0.514 -13.989 146 HD3 LYS 22 HD3 LYS 22 -27.085 -0.224 -13.514 147 HE2 LYS 22 HE2 LYS 22 -27.611 -2.253 -14.499 148 HE3 LYS 22 HE3 LYS 22 -29.346 -1.942 -14.450 149 HZ1 LYS 22 HZ1 LYS 22 -28.496 -1.784 -16.698 150 HZ2 LYS 22 HZ2 LYS 22 -27.392 -0.591 -16.232 151 HZ3 LYS 22 HZ3 LYS 22 -29.053 -0.273 -16.179 152 H HIS 23 H HIS 23 -27.623 1.681 -11.002 153 HA HIS 23 HA HIS 23 -25.470 2.212 -12.755 154 HB2 HIS 23 HB2 HIS 23 -27.822 3.402 -12.388 155 HB3 HIS 23 HB3 HIS 23 -26.852 4.461 -11.370 156 HD1 HIS 23 HD1 HIS 23 -25.475 6.211 -12.525 157 HD2 HIS 23 HD2 HIS 23 -26.984 3.373 -15.157 158 HE1 HIS 23 HE1 HIS 23 -24.949 7.081 -14.826 159 H CYS 24 H CYS 24 -26.138 3.613 -9.539 160 HA CYS 24 HA CYS 24 -23.591 4.785 -9.254 161 HB2 CYS 24 HB2 CYS 24 -25.837 4.152 -7.374 162 HB3 CYS 24 HB3 CYS 24 -24.291 4.691 -6.728 163 H LYS 25 H LYS 25 -24.635 1.560 -8.960 164 HA LYS 25 HA LYS 25 -22.450 0.777 -7.200 165 HB2 LYS 25 HB2 LYS 25 -24.814 -0.639 -8.385 166 HB3 LYS 25 HB3 LYS 25 -23.467 -1.566 -7.738 167 HG2 LYS 25 HG2 LYS 25 -23.776 -0.216 -5.602 168 HG3 LYS 25 HG3 LYS 25 -25.320 0.294 -6.288 169 HD2 LYS 25 HD2 LYS 25 -25.981 -1.549 -5.092 170 HD3 LYS 25 HD3 LYS 25 -25.640 -2.289 -6.658 171 HE2 LYS 25 HE2 LYS 25 -23.202 -2.270 -5.284 172 HE3 LYS 25 HE3 LYS 25 -24.409 -2.761 -4.096 173 HZ1 LYS 25 HZ1 LYS 25 -24.043 -4.013 -6.764 174 HZ2 LYS 25 HZ2 LYS 25 -25.130 -4.510 -5.568 175 HZ3 LYS 25 HZ3 LYS 25 -23.464 -4.649 -5.307 176 H GLU 26 H GLU 26 -23.220 0.910 -10.560 177 HA GLU 26 HA GLU 26 -21.027 -0.889 -11.265 178 HB2 GLU 26 HB2 GLU 26 -23.272 0.371 -12.812 179 HB3 GLU 26 HB3 GLU 26 -21.879 -0.303 -13.646 180 HG2 GLU 26 HG2 GLU 26 -22.308 -2.470 -12.558 181 HG3 GLU 26 HG3 GLU 26 -23.747 -1.781 -11.807 182 H LYS 27 H LYS 27 -21.711 2.436 -10.916 183 HA LYS 27 HA LYS 27 -19.383 3.188 -12.545 184 HB2 LYS 27 HB2 LYS 27 -21.531 4.965 -11.377 185 HB3 LYS 27 HB3 LYS 27 -20.250 5.465 -12.473 186 HG2 LYS 27 HG2 LYS 27 -21.337 3.573 -13.986 187 HG3 LYS 27 HG3 LYS 27 -22.757 3.989 -13.024 188 HD2 LYS 27 HD2 LYS 27 -22.855 5.385 -14.919 189 HD3 LYS 27 HD3 LYS 27 -22.255 6.412 -13.614 190 HE2 LYS 27 HE2 LYS 27 -19.920 5.534 -14.565 191 HE3 LYS 27 HE3 LYS 27 -20.878 5.409 -16.039 192 HZ1 LYS 27 HZ1 LYS 27 -20.605 7.573 -16.318 193 HZ2 LYS 27 HZ2 LYS 27 -19.776 7.710 -14.851 194 HZ3 LYS 27 HZ3 LYS 27 -21.459 7.871 -14.889 195 H GLU 28 H GLU 28 -20.868 4.557 -9.610 196 HA GLU 28 HA GLU 28 -18.254 5.199 -8.559 197 HB2 GLU 28 HB2 GLU 28 -21.074 5.781 -7.768 198 HB3 GLU 28 HB3 GLU 28 -19.814 5.924 -6.551 199 HG2 GLU 28 HG2 GLU 28 -19.093 7.236 -9.032 200 HG3 GLU 28 HG3 GLU 28 -20.593 7.863 -8.351 201 H HIS 29 H HIS 29 -20.166 2.488 -8.540 202 HA HIS 29 HA HIS 29 -20.283 0.596 -7.271 203 HB2 HIS 29 HB2 HIS 29 -17.457 1.535 -6.921 204 HB3 HIS 29 HB3 HIS 29 -18.020 0.112 -6.049 205 HD1 HIS 29 HD1 HIS 29 -18.139 -2.047 -7.330 206 HD2 HIS 29 HD2 HIS 29 -17.524 1.243 -9.791 207 HE1 HIS 29 HE1 HIS 29 -17.647 -2.993 -9.607 208 H LEU 30 H LEU 30 -21.586 2.634 -6.041 209 HA LEU 30 HA LEU 30 -20.695 2.797 -3.280 210 HB2 LEU 30 HB2 LEU 30 -23.169 3.920 -4.584 211 HB3 LEU 30 HB3 LEU 30 -22.583 4.298 -2.966 212 HG LEU 30 HG LEU 30 -21.337 5.072 -5.598 213 HD11 LEU 30 HD11 LEU 30 -21.626 7.267 -3.916 214 HD12 LEU 30 HD12 LEU 30 -23.120 6.350 -3.724 215 HD13 LEU 30 HD13 LEU 30 -22.607 6.873 -5.328 216 HD21 LEU 30 HD21 LEU 30 -20.173 4.847 -2.899 217 HD22 LEU 30 HD22 LEU 30 -19.859 6.359 -3.751 218 HD23 LEU 30 HD23 LEU 30 -19.394 4.822 -4.481 219 H LEU 31 H LEU 31 -23.079 2.857 -1.909 220 HA LEU 31 HA LEU 31 -23.639 0.047 -1.666 221 HB2 LEU 31 HB2 LEU 31 -24.688 2.466 -0.213 222 HB3 LEU 31 HB3 LEU 31 -25.168 0.814 0.169 223 HG LEU 31 HG LEU 31 -22.355 1.890 0.364 224 HD11 LEU 31 HD11 LEU 31 -24.173 2.749 1.993 225 HD12 LEU 31 HD12 LEU 31 -22.645 2.156 2.642 226 HD13 LEU 31 HD13 LEU 31 -24.079 1.130 2.686 227 HD21 LEU 31 HD21 LEU 31 -22.354 -0.311 1.864 228 HD22 LEU 31 HD22 LEU 31 -21.969 -0.336 0.143 229 HD23 LEU 31 HD23 LEU 31 -23.584 -0.786 0.693 230 H SER 32 H SER 32 -25.601 2.938 -2.362 231 HA SER 32 HA SER 32 -27.208 1.516 -4.254 232 HB2 SER 32 HB2 SER 32 -29.356 1.755 -3.064 233 HB3 SER 32 HB3 SER 32 -28.250 0.692 -2.194 234 HG SER 32 HG SER 32 -29.460 2.533 -1.060 235 H GLY 33 H GLY 33 -29.248 3.000 -4.772 236 HA2 GLY 33 HA2 GLY 33 -28.633 5.831 -4.453 237 HA3 GLY 33 HA3 GLY 33 -28.550 5.201 -6.092 238 H ARG 34 H ARG 34 -30.499 6.743 -3.935 239 HA ARG 34 HA ARG 34 -32.986 5.608 -4.988 240 HB2 ARG 34 HB2 ARG 34 -32.766 7.744 -2.876 241 HB3 ARG 34 HB3 ARG 34 -34.114 6.660 -3.193 242 HG2 ARG 34 HG2 ARG 34 -32.358 4.808 -2.586 243 HG3 ARG 34 HG3 ARG 34 -31.564 6.147 -1.754 244 HD2 ARG 34 HD2 ARG 34 -33.090 6.176 -0.119 245 HD3 ARG 34 HD3 ARG 34 -34.431 6.033 -1.255 246 HE ARG 34 HE ARG 34 -33.156 3.550 -1.082 247 HH11 ARG 34 HH11 ARG 34 -35.051 5.701 0.894 248 HH12 ARG 34 HH12 ARG 34 -35.728 4.430 1.857 249 HH21 ARG 34 HH21 ARG 34 -34.041 1.868 0.179 250 HH22 ARG 34 HH22 ARG 34 -35.152 2.250 1.450 251 H CYS 35 H CYS 35 -34.366 6.727 -6.272 252 HA CYS 35 HA CYS 35 -33.334 9.125 -7.528 253 HB2 CYS 35 HB2 CYS 35 -36.010 7.978 -8.202 254 HB3 CYS 35 HB3 CYS 35 -34.807 8.707 -9.261 255 H ARG 36 H ARG 36 -34.828 10.967 -7.960 256 HA ARG 36 HA ARG 36 -36.740 11.420 -5.778 257 HB2 ARG 36 HB2 ARG 36 -34.727 13.484 -6.681 258 HB3 ARG 36 HB3 ARG 36 -35.874 13.627 -5.356 259 HG2 ARG 36 HG2 ARG 36 -34.325 11.323 -4.860 260 HG3 ARG 36 HG3 ARG 36 -33.215 12.613 -5.326 261 HD2 ARG 36 HD2 ARG 36 -33.350 13.171 -3.149 262 HD3 ARG 36 HD3 ARG 36 -34.849 13.953 -3.646 263 HE ARG 36 HE ARG 36 -35.556 11.378 -3.032 264 HH11 ARG 36 HH11 ARG 36 -34.008 14.007 -1.356 265 HH12 ARG 36 HH12 ARG 36 -34.597 13.533 0.202 266 HH21 ARG 36 HH21 ARG 36 -36.338 10.743 -0.986 267 HH22 ARG 36 HH22 ARG 36 -35.922 11.675 0.412 268 H ASP 37 H ASP 37 -38.126 13.366 -6.204 269 HA ASP 37 HA ASP 37 -39.180 13.190 -8.867 270 HB2 ASP 37 HB2 ASP 37 -40.562 13.456 -6.766 271 HB3 ASP 37 HB3 ASP 37 -40.006 15.126 -6.701 272 H ASP 38 H ASP 38 -36.783 15.049 -7.416 273 HA ASP 38 HA ASP 38 -37.165 17.361 -9.149 274 HB2 ASP 38 HB2 ASP 38 -34.929 18.028 -7.956 275 HB3 ASP 38 HB3 ASP 38 -36.452 18.104 -7.074 276 H PHE 39 H PHE 39 -36.521 14.696 -10.237 277 HA PHE 39 HA PHE 39 -35.176 13.729 -11.798 278 HB2 PHE 39 HB2 PHE 39 -34.976 16.646 -12.309 279 HB3 PHE 39 HB3 PHE 39 -33.791 15.620 -13.111 280 HD1 PHE 39 HD1 PHE 39 -37.416 16.209 -12.681 281 HD2 PHE 39 HD2 PHE 39 -34.368 14.345 -14.995 282 HE1 PHE 39 HE1 PHE 39 -39.072 15.666 -14.418 283 HE2 PHE 39 HE2 PHE 39 -36.019 13.800 -16.736 284 HZ PHE 39 HZ PHE 39 -38.374 14.461 -16.450 285 H ARG 40 H ARG 40 -34.119 13.959 -9.139 286 HA ARG 40 HA ARG 40 -31.256 13.837 -9.783 287 HB2 ARG 40 HB2 ARG 40 -32.333 15.006 -7.216 288 HB3 ARG 40 HB3 ARG 40 -30.657 14.958 -7.745 289 HG2 ARG 40 HG2 ARG 40 -32.210 16.289 -9.730 290 HG3 ARG 40 HG3 ARG 40 -32.560 16.994 -8.151 291 HD2 ARG 40 HD2 ARG 40 -29.935 16.896 -7.913 292 HD3 ARG 40 HD3 ARG 40 -30.004 16.903 -9.674 293 HE ARG 40 HE ARG 40 -30.439 19.113 -7.958 294 HH11 ARG 40 HH11 ARG 40 -31.562 17.673 -10.922 295 HH12 ARG 40 HH12 ARG 40 -32.082 19.176 -11.608 296 HH21 ARG 40 HH21 ARG 40 -31.120 21.099 -8.851 297 HH22 ARG 40 HH22 ARG 40 -31.829 21.125 -10.430 298 H CYS 41 H CYS 41 -30.144 12.181 -8.852 299 HA CYS 41 HA CYS 41 -31.684 10.388 -7.089 300 HB2 CYS 41 HB2 CYS 41 -31.292 9.457 -9.355 301 HB3 CYS 41 HB3 CYS 41 -29.558 9.612 -9.096 302 H TRP 42 H TRP 42 -30.874 10.114 -5.124 303 HA TRP 42 HA TRP 42 -28.161 11.034 -4.565 304 HB2 TRP 42 HB2 TRP 42 -30.527 10.372 -2.818 305 HB3 TRP 42 HB3 TRP 42 -28.919 10.634 -2.147 306 HD1 TRP 42 HD1 TRP 42 -31.529 12.545 -4.284 307 HE1 TRP 42 HE1 TRP 42 -31.294 15.055 -3.764 308 HE3 TRP 42 HE3 TRP 42 -27.504 12.348 -1.139 309 HZ2 TRP 42 HZ2 TRP 42 -29.622 16.729 -2.225 310 HZ3 TRP 42 HZ3 TRP 42 -26.648 14.448 -0.186 311 HH2 TRP 42 HH2 TRP 42 -27.686 16.593 -0.719 312 H CYS 43 H CYS 43 -26.506 9.706 -4.190 313 HA CYS 43 HA CYS 43 -27.065 6.828 -3.997 314 HB2 CYS 43 HB2 CYS 43 -24.451 8.182 -4.690 315 HB3 CYS 43 HB3 CYS 43 -24.817 6.465 -4.819 316 H THR 44 H THR 44 -26.411 5.641 -2.286 317 HA THR 44 HA THR 44 -25.268 7.109 -0.021 318 HB THR 44 HB THR 44 -26.597 4.392 -0.059 319 HG1 THR 44 HG1 THR 44 -28.348 5.577 -0.107 320 HG21 THR 44 HG21 THR 44 -26.669 5.552 2.501 321 HG22 THR 44 HG22 THR 44 -25.014 5.744 1.922 322 HG23 THR 44 HG23 THR 44 -25.746 4.141 1.985 323 H ARG 45 H ARG 45 -23.284 6.706 0.742 324 HA ARG 45 HA ARG 45 -21.930 4.225 -0.034 325 HB2 ARG 45 HB2 ARG 45 -19.911 5.404 -0.660 326 HB3 ARG 45 HB3 ARG 45 -21.255 5.996 -1.627 327 HG2 ARG 45 HG2 ARG 45 -21.441 7.931 -0.081 328 HG3 ARG 45 HG3 ARG 45 -19.986 7.357 0.737 329 HD2 ARG 45 HD2 ARG 45 -20.101 7.966 -2.209 330 HD3 ARG 45 HD3 ARG 45 -19.630 9.153 -0.993 331 HE ARG 45 HE ARG 45 -18.066 6.930 -1.953 332 HH11 ARG 45 HH11 ARG 45 -18.541 9.230 0.616 333 HH12 ARG 45 HH12 ARG 45 -16.911 9.119 1.193 334 HH21 ARG 45 HH21 ARG 45 -15.918 6.775 -1.204 335 HH22 ARG 45 HH22 ARG 45 -15.420 7.723 0.156 336 H ASN 46 H ASN 46 -19.935 3.847 1.250 337 HA ASN 46 HA ASN 46 -20.472 4.220 4.018 338 HB2 ASN 46 HB2 ASN 46 -17.902 3.239 2.763 339 HB3 ASN 46 HB3 ASN 46 -18.461 2.944 4.406 340 HD21 ASN 46 HD21 ASN 46 -18.846 2.133 1.055 341 HD22 ASN 46 HD22 ASN 46 -19.809 0.719 1.297 342 H CYS 47 H CYS 47 -19.643 5.629 5.464 343 HA CYS 47 HA CYS 47 -17.312 7.216 4.892 344 HB2 CYS 47 HB2 CYS 47 -18.288 9.338 4.719 345 HB3 CYS 47 HB3 CYS 47 -19.317 8.331 3.706 Start of MODEL 10 1 H1 LYS 1 H LYS 1 -20.763 3.564 8.823 2 HA LYS 1 HA LYS 1 -23.093 5.169 9.373 3 HB2 LYS 1 HB2 LYS 1 -21.226 6.305 10.625 4 HB3 LYS 1 HB3 LYS 1 -20.436 6.575 9.077 5 HG2 LYS 1 HG2 LYS 1 -21.663 8.546 9.858 6 HG3 LYS 1 HG3 LYS 1 -22.289 7.933 8.326 7 HD2 LYS 1 HD2 LYS 1 -24.296 7.457 9.209 8 HD3 LYS 1 HD3 LYS 1 -23.589 6.778 10.677 9 HE2 LYS 1 HE2 LYS 1 -23.458 9.722 10.301 10 HE3 LYS 1 HE3 LYS 1 -25.022 9.012 10.699 11 HZ1 LYS 1 HZ1 LYS 1 -24.397 8.736 12.794 12 HZ2 LYS 1 HZ2 LYS 1 -23.015 9.651 12.458 13 HZ3 LYS 1 HZ3 LYS 1 -22.959 7.963 12.352 14 H THR 2 H THR 2 -23.633 6.601 7.557 15 HA THR 2 HA THR 2 -22.229 6.055 5.058 16 HB THR 2 HB THR 2 -24.531 5.658 3.964 17 HG1 THR 2 HG1 THR 2 -25.808 6.109 5.800 18 HG21 THR 2 HG21 THR 2 -22.934 3.900 3.971 19 HG22 THR 2 HG22 THR 2 -24.438 3.204 4.574 20 HG23 THR 2 HG23 THR 2 -23.146 3.621 5.699 21 H CYS 3 H CYS 3 -22.630 7.573 3.413 22 HA CYS 3 HA CYS 3 -24.084 9.980 4.298 23 HB2 CYS 3 HB2 CYS 3 -21.474 9.706 2.821 24 HB3 CYS 3 HB3 CYS 3 -22.420 11.188 2.744 25 H GLU 4 H GLU 4 -24.922 11.338 2.540 26 HA GLU 4 HA GLU 4 -25.648 9.736 0.175 27 HB2 GLU 4 HB2 GLU 4 -27.432 10.405 2.021 28 HB3 GLU 4 HB3 GLU 4 -27.433 11.924 1.136 29 HG2 GLU 4 HG2 GLU 4 -28.901 11.025 -0.250 30 HG3 GLU 4 HG3 GLU 4 -27.619 9.960 -0.824 31 H ASN 5 H ASN 5 -25.290 10.615 -1.773 32 HA ASN 5 HA ASN 5 -24.872 13.500 -2.000 33 HB2 ASN 5 HB2 ASN 5 -22.800 13.198 -3.275 34 HB3 ASN 5 HB3 ASN 5 -22.636 12.540 -1.649 35 HD21 ASN 5 HD21 ASN 5 -22.993 11.772 -5.031 36 HD22 ASN 5 HD22 ASN 5 -22.465 10.131 -4.916 37 H LEU 6 H LEU 6 -25.139 14.327 -4.119 38 HA LEU 6 HA LEU 6 -27.110 12.993 -5.649 39 HB2 LEU 6 HB2 LEU 6 -25.458 15.457 -6.071 40 HB3 LEU 6 HB3 LEU 6 -26.531 14.857 -7.334 41 HG LEU 6 HG LEU 6 -27.350 15.770 -4.577 42 HD11 LEU 6 HD11 LEU 6 -28.563 17.141 -6.787 43 HD12 LEU 6 HD12 LEU 6 -26.806 17.230 -6.903 44 HD13 LEU 6 HD13 LEU 6 -27.622 17.792 -5.444 45 HD21 LEU 6 HD21 LEU 6 -28.906 14.562 -6.848 46 HD22 LEU 6 HD22 LEU 6 -29.664 15.544 -5.594 47 HD23 LEU 6 HD23 LEU 6 -28.841 14.044 -5.163 48 H SER 7 H SER 7 -26.981 11.753 -7.435 49 HA SER 7 HA SER 7 -24.598 10.421 -8.071 50 HB2 SER 7 HB2 SER 7 -26.955 9.600 -8.490 51 HB3 SER 7 HB3 SER 7 -26.999 10.670 -9.891 52 HG SER 7 HG SER 7 -26.013 8.232 -9.761 53 H ASP 8 H ASP 8 -24.083 10.280 -10.630 54 HA ASP 8 HA ASP 8 -22.751 12.732 -11.214 55 HB2 ASP 8 HB2 ASP 8 -22.313 11.456 -13.456 56 HB3 ASP 8 HB3 ASP 8 -21.559 10.890 -11.968 57 H SER 9 H SER 9 -25.127 10.910 -13.158 58 HA SER 9 HA SER 9 -26.593 13.323 -13.755 59 HB2 SER 9 HB2 SER 9 -26.237 13.354 -16.120 60 HB3 SER 9 HB3 SER 9 -24.641 13.308 -15.370 61 HG SER 9 HG SER 9 -24.535 11.758 -16.883 62 H PHE 10 H PHE 10 -27.445 11.107 -12.421 63 HA PHE 10 HA PHE 10 -28.815 9.335 -14.258 64 HB2 PHE 10 HB2 PHE 10 -27.870 8.471 -12.143 65 HB3 PHE 10 HB3 PHE 10 -28.974 9.505 -11.241 66 HD1 PHE 10 HD2 PHE 10 -31.462 9.125 -11.515 67 HD2 PHE 10 HD1 PHE 10 -28.527 6.354 -12.866 68 HE1 PHE 10 HE2 PHE 10 -33.166 7.352 -11.567 69 HE2 PHE 10 HE1 PHE 10 -30.227 4.576 -12.921 70 HZ PHE 10 HZ PHE 10 -32.550 5.073 -12.271 71 H LYS 11 H LYS 11 -30.862 9.514 -14.920 72 HA LYS 11 HA LYS 11 -32.596 11.480 -13.575 73 HB2 LYS 11 HB2 LYS 11 -32.510 10.936 -16.547 74 HB3 LYS 11 HB3 LYS 11 -33.513 12.125 -15.729 75 HG2 LYS 11 HG2 LYS 11 -30.525 12.151 -16.049 76 HG3 LYS 11 HG3 LYS 11 -31.699 13.284 -16.723 77 HD2 LYS 11 HD2 LYS 11 -32.227 13.432 -14.043 78 HD3 LYS 11 HD3 LYS 11 -30.478 13.192 -14.063 79 HE2 LYS 11 HE2 LYS 11 -30.669 15.046 -15.975 80 HE3 LYS 11 HE3 LYS 11 -32.104 15.469 -15.042 81 HZ1 LYS 11 HZ1 LYS 11 -29.375 15.205 -13.902 82 HZ2 LYS 11 HZ2 LYS 11 -30.760 15.737 -13.090 83 HZ3 LYS 11 HZ3 LYS 11 -30.097 16.673 -14.334 84 H GLY 12 H GLY 12 -34.935 11.086 -14.872 85 HA2 GLY 12 HA2 GLY 12 -36.768 9.709 -14.997 86 HA3 GLY 12 HA3 GLY 12 -35.652 8.395 -15.336 87 HA PRO 13 HA PRO 13 -37.606 8.166 -10.984 88 HB2 PRO 13 HB2 PRO 13 -39.523 6.307 -11.477 89 HB3 PRO 13 HB3 PRO 13 -39.816 8.046 -11.601 90 HG2 PRO 13 HG2 PRO 13 -39.240 6.063 -13.768 91 HG3 PRO 13 HG3 PRO 13 -40.430 7.378 -13.742 92 HD2 PRO 13 HD2 PRO 13 -38.050 7.591 -15.017 93 HD3 PRO 13 HD3 PRO 13 -38.857 8.981 -14.261 94 H CYS 14 H CYS 14 -38.258 5.770 -10.009 95 HA CYS 14 HA CYS 14 -35.947 4.079 -10.696 96 HB2 CYS 14 HB2 CYS 14 -37.230 4.822 -8.123 97 HB3 CYS 14 HB3 CYS 14 -36.633 3.172 -8.260 98 H ILE 15 H ILE 15 -36.447 1.718 -9.727 99 HA ILE 15 HA ILE 15 -39.149 0.881 -10.453 100 HB ILE 15 HB ILE 15 -38.025 -1.069 -11.752 101 HG12 ILE 15 HG12 ILE 15 -35.987 0.915 -12.583 102 HG13 ILE 15 HG13 ILE 15 -35.724 0.141 -11.025 103 HG21 ILE 15 HG21 ILE 15 -38.421 1.729 -12.762 104 HG22 ILE 15 HG22 ILE 15 -38.004 0.400 -13.843 105 HG23 ILE 15 HG23 ILE 15 -39.497 0.339 -12.907 106 HD11 ILE 15 HD11 ILE 15 -36.438 -1.838 -12.953 107 HD12 ILE 15 HD12 ILE 15 -35.115 -0.850 -13.575 108 HD13 ILE 15 HD13 ILE 15 -34.950 -1.669 -12.022 109 HA PRO 16 HA PRO 16 -38.708 -2.045 -7.212 110 HB2 PRO 16 HB2 PRO 16 -40.083 -4.182 -8.168 111 HB3 PRO 16 HB3 PRO 16 -40.871 -2.693 -7.633 112 HG2 PRO 16 HG2 PRO 16 -40.202 -3.590 -10.409 113 HG3 PRO 16 HG3 PRO 16 -41.683 -2.823 -9.808 114 HD2 PRO 16 HD2 PRO 16 -39.762 -1.445 -11.127 115 HD3 PRO 16 HD3 PRO 16 -40.760 -0.712 -9.855 116 H ASP 17 H ASP 17 -37.297 -2.584 -10.232 117 HA ASP 17 HA ASP 17 -36.048 -5.104 -9.411 118 HB2 ASP 17 HB2 ASP 17 -37.075 -4.548 -11.784 119 HB3 ASP 17 HB3 ASP 17 -35.493 -3.819 -12.051 120 H GLY 18 H GLY 18 -35.416 -1.736 -9.718 121 HA2 GLY 18 HA2 GLY 18 -33.570 -0.687 -8.669 122 HA3 GLY 18 HA3 GLY 18 -32.677 -2.196 -8.789 123 H ASN 19 H ASN 19 -33.405 0.810 -10.274 124 HA ASN 19 HA ASN 19 -31.810 0.069 -12.635 125 HB2 ASN 19 HB2 ASN 19 -32.856 1.978 -13.770 126 HB3 ASN 19 HB3 ASN 19 -34.074 0.858 -13.168 127 HD21 ASN 19 HD21 ASN 19 -34.393 3.634 -13.834 128 HD22 ASN 19 HD22 ASN 19 -34.917 4.437 -12.397 129 H CYS 20 H CYS 20 -32.154 2.348 -9.998 130 HA CYS 20 HA CYS 20 -29.842 3.884 -10.888 131 HB2 CYS 20 HB2 CYS 20 -32.016 4.837 -9.811 132 HB3 CYS 20 HB3 CYS 20 -31.284 4.331 -8.292 133 H ASN 21 H ASN 21 -30.524 1.206 -8.940 134 HA ASN 21 HA ASN 21 -28.476 1.552 -6.980 135 HB2 ASN 21 HB2 ASN 21 -30.319 0.104 -6.452 136 HB3 ASN 21 HB3 ASN 21 -30.030 -0.876 -7.886 137 HD21 ASN 21 HD21 ASN 21 -29.501 -2.804 -7.110 138 HD22 ASN 21 HD22 ASN 21 -28.238 -3.112 -5.971 139 H LYS 22 H LYS 22 -28.733 -0.335 -9.978 140 HA LYS 22 HA LYS 22 -26.121 -1.428 -9.834 141 HB2 LYS 22 HB2 LYS 22 -26.496 -2.240 -12.032 142 HB3 LYS 22 HB3 LYS 22 -28.054 -2.299 -11.217 143 HG2 LYS 22 HG2 LYS 22 -28.417 0.032 -12.299 144 HG3 LYS 22 HG3 LYS 22 -27.122 -0.474 -13.387 145 HD2 LYS 22 HD2 LYS 22 -28.629 -2.672 -13.493 146 HD3 LYS 22 HD3 LYS 22 -29.892 -1.499 -13.113 147 HE2 LYS 22 HE2 LYS 22 -28.877 -0.114 -15.033 148 HE3 LYS 22 HE3 LYS 22 -28.079 -1.615 -15.500 149 HZ1 LYS 22 HZ1 LYS 22 -30.215 -2.675 -15.713 150 HZ2 LYS 22 HZ2 LYS 22 -30.193 -1.273 -16.659 151 HZ3 LYS 22 HZ3 LYS 22 -31.012 -1.281 -15.179 152 H HIS 23 H HIS 23 -27.411 1.571 -11.048 153 HA HIS 23 HA HIS 23 -25.238 2.319 -12.690 154 HB2 HIS 23 HB2 HIS 23 -27.667 3.346 -12.357 155 HB3 HIS 23 HB3 HIS 23 -26.805 4.404 -11.243 156 HD1 HIS 23 HD1 HIS 23 -25.763 6.405 -12.266 157 HD2 HIS 23 HD2 HIS 23 -26.458 3.415 -15.065 158 HE1 HIS 23 HE1 HIS 23 -25.138 7.406 -14.487 159 H CYS 24 H CYS 24 -26.097 3.565 -9.457 160 HA CYS 24 HA CYS 24 -23.654 4.870 -9.014 161 HB2 CYS 24 HB2 CYS 24 -25.776 3.851 -7.128 162 HB3 CYS 24 HB3 CYS 24 -24.356 4.724 -6.562 163 H LYS 25 H LYS 25 -24.507 1.553 -8.834 164 HA LYS 25 HA LYS 25 -22.275 0.842 -7.116 165 HB2 LYS 25 HB2 LYS 25 -24.511 -0.679 -8.413 166 HB3 LYS 25 HB3 LYS 25 -23.110 -1.537 -7.785 167 HG2 LYS 25 HG2 LYS 25 -23.545 -0.348 -5.589 168 HG3 LYS 25 HG3 LYS 25 -25.099 0.130 -6.276 169 HD2 LYS 25 HD2 LYS 25 -25.803 -1.805 -5.353 170 HD3 LYS 25 HD3 LYS 25 -25.121 -2.515 -6.819 171 HE2 LYS 25 HE2 LYS 25 -22.930 -2.369 -5.209 172 HE3 LYS 25 HE3 LYS 25 -24.208 -2.677 -4.034 173 HZ1 LYS 25 HZ1 LYS 25 -24.467 -4.348 -6.325 174 HZ2 LYS 25 HZ2 LYS 25 -24.355 -4.776 -4.693 175 HZ3 LYS 25 HZ3 LYS 25 -22.949 -4.538 -5.603 176 H GLU 26 H GLU 26 -23.006 1.095 -10.477 177 HA GLU 26 HA GLU 26 -20.687 -0.511 -11.238 178 HB2 GLU 26 HB2 GLU 26 -22.995 0.675 -12.743 179 HB3 GLU 26 HB3 GLU 26 -21.543 0.176 -13.600 180 HG2 GLU 26 HG2 GLU 26 -21.803 -2.088 -12.697 181 HG3 GLU 26 HG3 GLU 26 -23.281 -1.581 -11.882 182 H LYS 27 H LYS 27 -21.587 2.737 -10.713 183 HA LYS 27 HA LYS 27 -19.322 3.745 -12.285 184 HB2 LYS 27 HB2 LYS 27 -21.564 5.266 -10.941 185 HB3 LYS 27 HB3 LYS 27 -20.312 5.965 -11.959 186 HG2 LYS 27 HG2 LYS 27 -21.260 4.187 -13.686 187 HG3 LYS 27 HG3 LYS 27 -22.710 4.393 -12.701 188 HD2 LYS 27 HD2 LYS 27 -23.008 6.558 -13.351 189 HD3 LYS 27 HD3 LYS 27 -21.280 6.848 -13.560 190 HE2 LYS 27 HE2 LYS 27 -22.708 4.976 -15.400 191 HE3 LYS 27 HE3 LYS 27 -22.854 6.716 -15.639 192 HZ1 LYS 27 HZ1 LYS 27 -20.833 6.798 -16.518 193 HZ2 LYS 27 HZ2 LYS 27 -20.824 5.106 -16.537 194 HZ3 LYS 27 HZ3 LYS 27 -20.144 5.941 -15.232 195 H GLU 28 H GLU 28 -20.791 4.878 -9.252 196 HA GLU 28 HA GLU 28 -18.163 5.466 -8.190 197 HB2 GLU 28 HB2 GLU 28 -20.972 6.067 -7.397 198 HB3 GLU 28 HB3 GLU 28 -19.739 6.096 -6.144 199 HG2 GLU 28 HG2 GLU 28 -19.355 7.611 -8.692 200 HG3 GLU 28 HG3 GLU 28 -20.328 8.276 -7.382 201 H HIS 29 H HIS 29 -20.095 2.775 -8.287 202 HA HIS 29 HA HIS 29 -20.217 0.824 -7.113 203 HB2 HIS 29 HB2 HIS 29 -17.397 1.748 -6.666 204 HB3 HIS 29 HB3 HIS 29 -17.976 0.277 -5.890 205 HD1 HIS 29 HD1 HIS 29 -17.262 1.728 -9.284 206 HD2 HIS 29 HD2 HIS 29 -18.214 -1.926 -7.550 207 HE1 HIS 29 HE1 HIS 29 -16.928 0.016 -11.096 208 H LEU 30 H LEU 30 -21.538 2.807 -5.812 209 HA LEU 30 HA LEU 30 -20.688 2.833 -3.031 210 HB2 LEU 30 HB2 LEU 30 -23.130 4.046 -4.315 211 HB3 LEU 30 HB3 LEU 30 -22.559 4.341 -2.674 212 HG LEU 30 HG LEU 30 -21.286 5.230 -5.255 213 HD11 LEU 30 HD11 LEU 30 -21.613 7.260 -3.289 214 HD12 LEU 30 HD12 LEU 30 -23.145 6.410 -3.484 215 HD13 LEU 30 HD13 LEU 30 -22.354 7.133 -4.884 216 HD21 LEU 30 HD21 LEU 30 -20.113 4.789 -2.602 217 HD22 LEU 30 HD22 LEU 30 -19.814 6.386 -3.288 218 HD23 LEU 30 HD23 LEU 30 -19.337 4.940 -4.179 219 H LEU 31 H LEU 31 -23.047 2.830 -1.663 220 HA LEU 31 HA LEU 31 -23.635 0.035 -1.531 221 HB2 LEU 31 HB2 LEU 31 -24.799 2.415 -0.098 222 HB3 LEU 31 HB3 LEU 31 -25.251 0.746 0.244 223 HG LEU 31 HG LEU 31 -22.451 1.824 0.537 224 HD11 LEU 31 HD11 LEU 31 -24.445 2.703 2.059 225 HD12 LEU 31 HD12 LEU 31 -22.838 2.371 2.705 226 HD13 LEU 31 HD13 LEU 31 -24.127 1.183 2.895 227 HD21 LEU 31 HD21 LEU 31 -23.710 -0.684 1.637 228 HD22 LEU 31 HD22 LEU 31 -22.015 -0.204 1.733 229 HD23 LEU 31 HD23 LEU 31 -22.726 -0.626 0.174 230 H SER 32 H SER 32 -25.617 2.909 -2.251 231 HA SER 32 HA SER 32 -27.100 1.509 -4.257 232 HB2 SER 32 HB2 SER 32 -29.169 1.250 -3.232 233 HB3 SER 32 HB3 SER 32 -28.073 0.842 -1.913 234 HG SER 32 HG SER 32 -29.757 3.010 -2.215 235 H GLY 33 H GLY 33 -29.227 2.997 -4.697 236 HA2 GLY 33 HA2 GLY 33 -28.649 5.817 -4.324 237 HA3 GLY 33 HA3 GLY 33 -28.491 5.238 -5.976 238 H ARG 34 H ARG 34 -30.538 6.724 -3.901 239 HA ARG 34 HA ARG 34 -32.973 5.539 -5.013 240 HB2 ARG 34 HB2 ARG 34 -32.828 7.721 -2.940 241 HB3 ARG 34 HB3 ARG 34 -34.172 6.640 -3.286 242 HG2 ARG 34 HG2 ARG 34 -32.222 4.870 -2.620 243 HG3 ARG 34 HG3 ARG 34 -31.823 6.244 -1.588 244 HD2 ARG 34 HD2 ARG 34 -33.371 5.458 -0.187 245 HD3 ARG 34 HD3 ARG 34 -34.558 6.052 -1.347 246 HE ARG 34 HE ARG 34 -35.016 3.886 -1.944 247 HH11 ARG 34 HH11 ARG 34 -32.069 3.976 -0.093 248 HH12 ARG 34 HH12 ARG 34 -31.956 2.253 0.056 249 HH21 ARG 34 HH21 ARG 34 -34.879 1.617 -1.755 250 HH22 ARG 34 HH22 ARG 34 -33.554 0.912 -0.891 251 H CYS 35 H CYS 35 -34.339 6.613 -6.355 252 HA CYS 35 HA CYS 35 -33.294 8.956 -7.685 253 HB2 CYS 35 HB2 CYS 35 -35.969 7.687 -8.229 254 HB3 CYS 35 HB3 CYS 35 -34.933 8.580 -9.338 255 H ARG 36 H ARG 36 -34.828 10.776 -8.214 256 HA ARG 36 HA ARG 36 -36.683 11.363 -6.020 257 HB2 ARG 36 HB2 ARG 36 -34.526 13.245 -6.997 258 HB3 ARG 36 HB3 ARG 36 -35.781 13.650 -5.834 259 HG2 ARG 36 HG2 ARG 36 -34.631 11.404 -4.743 260 HG3 ARG 36 HG3 ARG 36 -33.259 12.259 -5.453 261 HD2 ARG 36 HD2 ARG 36 -33.272 13.727 -3.787 262 HD3 ARG 36 HD3 ARG 36 -34.951 14.141 -4.133 263 HE ARG 36 HE ARG 36 -35.165 11.838 -2.737 264 HH11 ARG 36 HH11 ARG 36 -33.487 14.832 -2.157 265 HH12 ARG 36 HH12 ARG 36 -33.617 14.722 -0.433 266 HH21 ARG 36 HH21 ARG 36 -35.342 11.681 -0.468 267 HH22 ARG 36 HH22 ARG 36 -34.671 12.928 0.527 268 H ASP 37 H ASP 37 -37.896 13.486 -6.536 269 HA ASP 37 HA ASP 37 -39.094 13.148 -9.128 270 HB2 ASP 37 HB2 ASP 37 -40.483 15.164 -8.325 271 HB3 ASP 37 HB3 ASP 37 -40.645 13.650 -7.439 272 H ASP 38 H ASP 38 -36.670 15.162 -7.758 273 HA ASP 38 HA ASP 38 -36.890 17.205 -9.806 274 HB2 ASP 38 HB2 ASP 38 -34.702 17.993 -8.653 275 HB3 ASP 38 HB3 ASP 38 -36.221 18.132 -7.772 276 H PHE 39 H PHE 39 -36.374 14.482 -10.653 277 HA PHE 39 HA PHE 39 -34.993 13.256 -11.993 278 HB2 PHE 39 HB2 PHE 39 -34.733 16.078 -12.880 279 HB3 PHE 39 HB3 PHE 39 -33.559 14.935 -13.523 280 HD1 PHE 39 HD1 PHE 39 -37.239 15.006 -12.885 281 HD2 PHE 39 HD2 PHE 39 -34.075 14.065 -15.572 282 HE1 PHE 39 HE1 PHE 39 -38.885 14.267 -14.559 283 HE2 PHE 39 HE2 PHE 39 -35.715 13.326 -17.250 284 HZ PHE 39 HZ PHE 39 -38.124 13.427 -16.745 285 H ARG 40 H ARG 40 -33.962 13.474 -9.460 286 HA ARG 40 HA ARG 40 -31.086 13.423 -10.017 287 HB2 ARG 40 HB2 ARG 40 -32.329 14.784 -7.619 288 HB3 ARG 40 HB3 ARG 40 -30.606 14.558 -7.887 289 HG2 ARG 40 HG2 ARG 40 -31.778 15.850 -10.159 290 HG3 ARG 40 HG3 ARG 40 -32.202 16.717 -8.682 291 HD2 ARG 40 HD2 ARG 40 -29.589 16.249 -8.226 292 HD3 ARG 40 HD3 ARG 40 -29.582 16.346 -9.987 293 HE ARG 40 HE ARG 40 -30.979 18.505 -8.689 294 HH11 ARG 40 HH11 ARG 40 -27.911 17.350 -9.861 295 HH12 ARG 40 HH12 ARG 40 -27.234 18.935 -10.037 296 HH21 ARG 40 HH21 ARG 40 -30.099 20.597 -8.916 297 HH22 ARG 40 HH22 ARG 40 -28.479 20.781 -9.498 298 H CYS 41 H CYS 41 -29.977 11.824 -8.986 299 HA CYS 41 HA CYS 41 -31.543 10.083 -7.197 300 HB2 CYS 41 HB2 CYS 41 -30.963 9.151 -9.481 301 HB3 CYS 41 HB3 CYS 41 -29.276 9.193 -8.981 302 H TRP 42 H TRP 42 -30.811 9.939 -5.190 303 HA TRP 42 HA TRP 42 -28.135 10.923 -4.573 304 HB2 TRP 42 HB2 TRP 42 -30.563 10.311 -2.901 305 HB3 TRP 42 HB3 TRP 42 -28.987 10.596 -2.167 306 HD1 TRP 42 HD1 TRP 42 -31.522 12.428 -4.454 307 HE1 TRP 42 HE1 TRP 42 -31.295 14.956 -4.024 308 HE3 TRP 42 HE3 TRP 42 -27.579 12.348 -1.201 309 HZ2 TRP 42 HZ2 TRP 42 -29.660 16.687 -2.508 310 HZ3 TRP 42 HZ3 TRP 42 -26.744 14.483 -0.307 311 HH2 TRP 42 HH2 TRP 42 -27.764 16.607 -0.949 312 H CYS 43 H CYS 43 -26.487 9.568 -4.401 313 HA CYS 43 HA CYS 43 -26.997 6.720 -4.008 314 HB2 CYS 43 HB2 CYS 43 -24.356 8.064 -4.595 315 HB3 CYS 43 HB3 CYS 43 -24.750 6.357 -4.771 316 H THR 44 H THR 44 -26.415 5.598 -2.233 317 HA THR 44 HA THR 44 -25.354 7.141 0.024 318 HB THR 44 HB THR 44 -26.749 4.457 0.001 319 HG1 THR 44 HG1 THR 44 -28.516 5.588 0.687 320 HG21 THR 44 HG21 THR 44 -26.853 5.497 2.562 321 HG22 THR 44 HG22 THR 44 -25.205 5.847 2.039 322 HG23 THR 44 HG23 THR 44 -25.806 4.189 2.014 323 H ARG 45 H ARG 45 -23.405 6.746 0.877 324 HA ARG 45 HA ARG 45 -22.044 4.232 0.223 325 HB2 ARG 45 HB2 ARG 45 -20.019 5.336 -0.405 326 HB3 ARG 45 HB3 ARG 45 -21.319 6.043 -1.355 327 HG2 ARG 45 HG2 ARG 45 -21.384 7.963 0.145 328 HG3 ARG 45 HG3 ARG 45 -20.094 7.251 1.117 329 HD2 ARG 45 HD2 ARG 45 -19.832 7.917 -1.810 330 HD3 ARG 45 HD3 ARG 45 -19.340 8.998 -0.507 331 HE ARG 45 HE ARG 45 -18.175 6.364 -0.376 332 HH11 ARG 45 HH11 ARG 45 -17.862 9.603 -1.614 333 HH12 ARG 45 HH12 ARG 45 -16.144 9.502 -1.809 334 HH21 ARG 45 HH21 ARG 45 -15.912 6.219 -0.627 335 HH22 ARG 45 HH22 ARG 45 -15.036 7.577 -1.248 336 H ASN 46 H ASN 46 -20.025 3.961 1.572 337 HA ASN 46 HA ASN 46 -20.708 4.365 4.320 338 HB2 ASN 46 HB2 ASN 46 -18.087 3.345 3.213 339 HB3 ASN 46 HB3 ASN 46 -18.745 3.071 4.824 340 HD21 ASN 46 HD21 ASN 46 -18.922 2.219 1.467 341 HD22 ASN 46 HD22 ASN 46 -19.910 0.815 1.665 342 H CYS 47 H CYS 47 -19.921 5.799 5.766 343 HA CYS 47 HA CYS 47 -17.564 7.367 5.230 344 HB2 CYS 47 HB2 CYS 47 -18.543 9.495 5.033 345 HB3 CYS 47 HB3 CYS 47 -19.513 8.477 3.973 Start of MODEL 11 1 H1 LYS 1 H LYS 1 -20.210 3.183 8.634 2 HA LYS 1 HA LYS 1 -22.721 4.607 9.157 3 HB2 LYS 1 HB2 LYS 1 -20.818 5.700 10.383 4 HB3 LYS 1 HB3 LYS 1 -20.065 6.007 8.824 5 HG2 LYS 1 HG2 LYS 1 -21.249 7.967 9.679 6 HG3 LYS 1 HG3 LYS 1 -21.936 7.393 8.158 7 HD2 LYS 1 HD2 LYS 1 -23.761 6.341 9.319 8 HD3 LYS 1 HD3 LYS 1 -23.033 6.710 10.884 9 HE2 LYS 1 HE2 LYS 1 -23.155 9.182 9.899 10 HE3 LYS 1 HE3 LYS 1 -24.489 8.471 8.993 11 HZ1 LYS 1 HZ1 LYS 1 -24.478 7.855 11.817 12 HZ2 LYS 1 HZ2 LYS 1 -25.757 8.330 10.817 13 HZ3 LYS 1 HZ3 LYS 1 -24.709 9.492 11.459 14 H THR 2 H THR 2 -23.343 6.072 7.410 15 HA THR 2 HA THR 2 -22.015 5.640 4.848 16 HB THR 2 HB THR 2 -24.329 5.220 3.806 17 HG1 THR 2 HG1 THR 2 -25.839 5.321 5.309 18 HG21 THR 2 HG21 THR 2 -22.878 3.168 5.469 19 HG22 THR 2 HG22 THR 2 -22.713 3.483 3.741 20 HG23 THR 2 HG23 THR 2 -24.192 2.755 4.368 21 H CYS 3 H CYS 3 -22.523 7.196 3.262 22 HA CYS 3 HA CYS 3 -24.015 9.531 4.267 23 HB2 CYS 3 HB2 CYS 3 -21.412 9.405 2.757 24 HB3 CYS 3 HB3 CYS 3 -22.401 10.861 2.772 25 H GLU 4 H GLU 4 -24.900 10.936 2.569 26 HA GLU 4 HA GLU 4 -25.581 9.416 0.137 27 HB2 GLU 4 HB2 GLU 4 -27.382 9.920 2.018 28 HB3 GLU 4 HB3 GLU 4 -27.450 11.480 1.209 29 HG2 GLU 4 HG2 GLU 4 -28.893 10.586 -0.207 30 HG3 GLU 4 HG3 GLU 4 -27.566 9.619 -0.849 31 H ASN 5 H ASN 5 -25.266 10.402 -1.766 32 HA ASN 5 HA ASN 5 -24.938 13.310 -1.839 33 HB2 ASN 5 HB2 ASN 5 -22.883 13.169 -3.116 34 HB3 ASN 5 HB3 ASN 5 -22.678 12.297 -1.600 35 HD21 ASN 5 HD21 ASN 5 -22.796 12.083 -5.025 36 HD22 ASN 5 HD22 ASN 5 -22.372 10.413 -5.155 37 H LEU 6 H LEU 6 -25.217 14.241 -3.933 38 HA LEU 6 HA LEU 6 -27.237 12.990 -5.470 39 HB2 LEU 6 HB2 LEU 6 -25.576 15.458 -5.819 40 HB3 LEU 6 HB3 LEU 6 -26.673 14.920 -7.089 41 HG LEU 6 HG LEU 6 -27.455 15.693 -4.279 42 HD11 LEU 6 HD11 LEU 6 -26.898 17.285 -6.518 43 HD12 LEU 6 HD12 LEU 6 -27.683 17.771 -5.016 44 HD13 LEU 6 HD13 LEU 6 -28.656 17.226 -6.382 45 HD21 LEU 6 HD21 LEU 6 -29.024 14.632 -6.610 46 HD22 LEU 6 HD22 LEU 6 -29.776 15.583 -5.329 47 HD23 LEU 6 HD23 LEU 6 -28.991 14.050 -4.945 48 H SER 7 H SER 7 -27.163 11.834 -7.316 49 HA SER 7 HA SER 7 -24.818 10.497 -8.060 50 HB2 SER 7 HB2 SER 7 -27.141 9.680 -8.487 51 HB3 SER 7 HB3 SER 7 -27.291 10.889 -9.762 52 HG SER 7 HG SER 7 -26.068 8.469 -9.817 53 H ASP 8 H ASP 8 -24.242 10.468 -10.568 54 HA ASP 8 HA ASP 8 -22.969 12.975 -11.069 55 HB2 ASP 8 HB2 ASP 8 -22.375 11.766 -13.291 56 HB3 ASP 8 HB3 ASP 8 -21.702 11.152 -11.783 57 H SER 9 H SER 9 -25.191 11.089 -13.130 58 HA SER 9 HA SER 9 -26.747 13.443 -13.735 59 HB2 SER 9 HB2 SER 9 -26.320 13.495 -16.107 60 HB3 SER 9 HB3 SER 9 -24.769 13.605 -15.274 61 HG SER 9 HG SER 9 -25.379 11.908 -17.119 62 H PHE 10 H PHE 10 -27.603 11.222 -12.478 63 HA PHE 10 HA PHE 10 -28.762 9.369 -14.375 64 HB2 PHE 10 HB2 PHE 10 -27.936 8.639 -12.134 65 HB3 PHE 10 HB3 PHE 10 -29.231 9.575 -11.395 66 HD1 PHE 10 HD1 PHE 10 -31.613 8.944 -11.884 67 HD2 PHE 10 HD2 PHE 10 -28.313 6.475 -12.947 68 HE1 PHE 10 HE1 PHE 10 -33.128 7.017 -12.096 69 HE2 PHE 10 HE2 PHE 10 -29.823 4.544 -13.162 70 HZ PHE 10 HZ PHE 10 -32.233 4.814 -12.737 71 H LYS 11 H LYS 11 -30.276 10.382 -15.604 72 HA LYS 11 HA LYS 11 -32.617 11.444 -14.171 73 HB2 LYS 11 HB2 LYS 11 -31.012 12.687 -16.333 74 HB3 LYS 11 HB3 LYS 11 -32.759 12.848 -16.462 75 HG2 LYS 11 HG2 LYS 11 -31.747 14.759 -15.330 76 HG3 LYS 11 HG3 LYS 11 -32.852 13.881 -14.270 77 HD2 LYS 11 HD2 LYS 11 -31.203 13.245 -12.867 78 HD3 LYS 11 HD3 LYS 11 -30.044 12.999 -14.176 79 HE2 LYS 11 HE2 LYS 11 -30.836 15.793 -13.640 80 HE3 LYS 11 HE3 LYS 11 -29.878 15.004 -12.387 81 HZ1 LYS 11 HZ1 LYS 11 -28.105 15.462 -13.611 82 HZ2 LYS 11 HZ2 LYS 11 -29.046 16.009 -14.905 83 HZ3 LYS 11 HZ3 LYS 11 -28.660 14.368 -14.776 84 H GLY 12 H GLY 12 -31.951 8.798 -15.389 85 HA2 GLY 12 HA2 GLY 12 -33.837 8.686 -17.628 86 HA3 GLY 12 HA3 GLY 12 -32.743 7.403 -17.131 87 HA PRO 13 HA PRO 13 -37.168 6.829 -15.474 88 HB2 PRO 13 HB2 PRO 13 -37.961 4.851 -17.156 89 HB3 PRO 13 HB3 PRO 13 -38.225 6.565 -17.497 90 HG2 PRO 13 HG2 PRO 13 -36.089 4.736 -18.524 91 HG3 PRO 13 HG3 PRO 13 -37.038 5.951 -19.400 92 HD2 PRO 13 HD2 PRO 13 -34.504 6.409 -18.561 93 HD3 PRO 13 HD3 PRO 13 -35.725 7.695 -18.658 94 H CYS 14 H CYS 14 -36.826 5.730 -13.645 95 HA CYS 14 HA CYS 14 -35.583 3.064 -13.824 96 HB2 CYS 14 HB2 CYS 14 -34.895 3.395 -11.464 97 HB3 CYS 14 HB3 CYS 14 -34.190 4.587 -12.550 98 H ILE 15 H ILE 15 -36.200 1.890 -11.550 99 HA ILE 15 HA ILE 15 -39.144 1.964 -11.411 100 HB ILE 15 HB ILE 15 -38.736 -0.534 -10.649 101 HG12 ILE 15 HG12 ILE 15 -36.926 -1.556 -12.027 102 HG13 ILE 15 HG13 ILE 15 -36.377 0.062 -12.448 103 HG21 ILE 15 HG21 ILE 15 -40.053 -0.690 -12.433 104 HG22 ILE 15 HG22 ILE 15 -39.360 0.766 -13.145 105 HG23 ILE 15 HG23 ILE 15 -38.595 -0.800 -13.419 106 HD11 ILE 15 HD11 ILE 15 -35.096 -1.069 -10.626 107 HD12 ILE 15 HD12 ILE 15 -35.748 0.517 -10.209 108 HD13 ILE 15 HD13 ILE 15 -36.542 -0.945 -9.623 109 HA PRO 16 HA PRO 16 -38.962 2.381 -7.046 110 HB2 PRO 16 HB2 PRO 16 -40.927 0.714 -6.193 111 HB3 PRO 16 HB3 PRO 16 -41.255 2.241 -7.020 112 HG2 PRO 16 HG2 PRO 16 -41.228 -0.543 -8.121 113 HG3 PRO 16 HG3 PRO 16 -42.383 0.769 -8.423 114 HD2 PRO 16 HD2 PRO 16 -40.404 0.141 -10.161 115 HD3 PRO 16 HD3 PRO 16 -41.004 1.799 -9.956 116 H ASP 17 H ASP 17 -38.053 -0.475 -8.523 117 HA ASP 17 HA ASP 17 -37.574 -1.987 -6.096 118 HB2 ASP 17 HB2 ASP 17 -38.161 -2.880 -8.501 119 HB3 ASP 17 HB3 ASP 17 -36.422 -2.750 -8.752 120 H GLY 18 H GLY 18 -35.922 0.291 -8.055 121 HA2 GLY 18 HA2 GLY 18 -33.967 1.366 -7.097 122 HA3 GLY 18 HA3 GLY 18 -33.463 -0.209 -6.502 123 H ASN 19 H ASN 19 -33.936 1.703 -9.437 124 HA ASN 19 HA ASN 19 -32.251 -0.148 -10.942 125 HB2 ASN 19 HB2 ASN 19 -34.480 1.052 -11.741 126 HB3 ASN 19 HB3 ASN 19 -33.357 2.344 -12.158 127 HD21 ASN 19 HD21 ASN 19 -33.873 -1.132 -12.556 128 HD22 ASN 19 HD22 ASN 19 -33.200 -1.226 -14.145 129 H CYS 20 H CYS 20 -32.223 3.056 -9.561 130 HA CYS 20 HA CYS 20 -29.876 3.955 -10.921 131 HB2 CYS 20 HB2 CYS 20 -31.586 5.484 -9.943 132 HB3 CYS 20 HB3 CYS 20 -31.068 4.982 -8.337 133 H ASN 21 H ASN 21 -30.347 1.676 -8.540 134 HA ASN 21 HA ASN 21 -28.092 2.169 -6.875 135 HB2 ASN 21 HB2 ASN 21 -29.451 -0.487 -7.362 136 HB3 ASN 21 HB3 ASN 21 -28.503 -0.016 -5.955 137 HD21 ASN 21 HD21 ASN 21 -29.788 0.175 -4.277 138 HD22 ASN 21 HD22 ASN 21 -31.335 0.945 -4.260 139 H LYS 22 H LYS 22 -28.659 -0.178 -9.497 140 HA LYS 22 HA LYS 22 -26.094 -1.272 -9.561 141 HB2 LYS 22 HB2 LYS 22 -26.657 -1.895 -11.925 142 HB3 LYS 22 HB3 LYS 22 -27.867 -2.364 -10.739 143 HG2 LYS 22 HG2 LYS 22 -29.440 -1.060 -11.648 144 HG3 LYS 22 HG3 LYS 22 -28.316 0.271 -11.931 145 HD2 LYS 22 HD2 LYS 22 -27.948 -0.349 -14.054 146 HD3 LYS 22 HD3 LYS 22 -27.817 -2.056 -13.625 147 HE2 LYS 22 HE2 LYS 22 -30.453 -1.709 -13.275 148 HE3 LYS 22 HE3 LYS 22 -30.163 -0.487 -14.513 149 HZ1 LYS 22 HZ1 LYS 22 -28.989 -3.114 -14.968 150 HZ2 LYS 22 HZ2 LYS 22 -29.696 -2.039 -16.066 151 HZ3 LYS 22 HZ3 LYS 22 -30.674 -3.012 -15.087 152 H HIS 23 H HIS 23 -27.335 1.705 -10.888 153 HA HIS 23 HA HIS 23 -25.246 2.246 -12.708 154 HB2 HIS 23 HB2 HIS 23 -27.599 3.410 -12.279 155 HB3 HIS 23 HB3 HIS 23 -26.612 4.493 -11.302 156 HD1 HIS 23 HD1 HIS 23 -25.395 6.299 -12.519 157 HD2 HIS 23 HD2 HIS 23 -26.750 3.314 -15.071 158 HE1 HIS 23 HE1 HIS 23 -24.929 7.139 -14.844 159 H CYS 24 H CYS 24 -25.827 3.773 -9.534 160 HA CYS 24 HA CYS 24 -23.253 4.907 -9.355 161 HB2 CYS 24 HB2 CYS 24 -25.534 4.493 -7.488 162 HB3 CYS 24 HB3 CYS 24 -23.963 4.857 -6.782 163 H LYS 25 H LYS 25 -24.353 1.725 -8.876 164 HA LYS 25 HA LYS 25 -22.186 0.981 -7.086 165 HB2 LYS 25 HB2 LYS 25 -24.534 -0.466 -8.272 166 HB3 LYS 25 HB3 LYS 25 -23.208 -1.368 -7.550 167 HG2 LYS 25 HG2 LYS 25 -23.578 0.115 -5.492 168 HG3 LYS 25 HG3 LYS 25 -25.124 0.524 -6.240 169 HD2 LYS 25 HD2 LYS 25 -25.802 -1.273 -5.021 170 HD3 LYS 25 HD3 LYS 25 -25.256 -2.129 -6.466 171 HE2 LYS 25 HE2 LYS 25 -23.035 -1.704 -4.712 172 HE3 LYS 25 HE3 LYS 25 -24.358 -2.440 -3.809 173 HZ1 LYS 25 HZ1 LYS 25 -23.117 -4.202 -4.702 174 HZ2 LYS 25 HZ2 LYS 25 -23.006 -3.481 -6.228 175 HZ3 LYS 25 HZ3 LYS 25 -24.488 -4.092 -5.688 176 H GLU 26 H GLU 26 -22.914 0.993 -10.462 177 HA GLU 26 HA GLU 26 -20.693 -0.815 -11.062 178 HB2 GLU 26 HB2 GLU 26 -22.940 0.328 -12.699 179 HB3 GLU 26 HB3 GLU 26 -21.537 -0.399 -13.470 180 HG2 GLU 26 HG2 GLU 26 -21.977 -2.488 -12.250 181 HG3 GLU 26 HG3 GLU 26 -23.419 -1.754 -11.552 182 H LYS 27 H LYS 27 -21.458 2.512 -10.914 183 HA LYS 27 HA LYS 27 -19.108 3.212 -12.538 184 HB2 LYS 27 HB2 LYS 27 -21.316 5.033 -11.566 185 HB3 LYS 27 HB3 LYS 27 -20.037 5.445 -12.701 186 HG2 LYS 27 HG2 LYS 27 -21.088 3.397 -14.027 187 HG3 LYS 27 HG3 LYS 27 -22.519 3.886 -13.116 188 HD2 LYS 27 HD2 LYS 27 -22.700 5.146 -15.054 189 HD3 LYS 27 HD3 LYS 27 -21.922 6.271 -13.939 190 HE2 LYS 27 HE2 LYS 27 -20.403 6.547 -15.559 191 HE3 LYS 27 HE3 LYS 27 -19.783 4.975 -15.056 192 HZ1 LYS 27 HZ1 LYS 27 -20.094 4.874 -17.375 193 HZ2 LYS 27 HZ2 LYS 27 -21.638 5.560 -17.291 194 HZ3 LYS 27 HZ3 LYS 27 -21.376 3.995 -16.706 195 H GLU 28 H GLU 28 -20.751 4.585 -9.682 196 HA GLU 28 HA GLU 28 -18.236 5.543 -8.640 197 HB2 GLU 28 HB2 GLU 28 -21.102 5.748 -7.788 198 HB3 GLU 28 HB3 GLU 28 -19.824 6.151 -6.651 199 HG2 GLU 28 HG2 GLU 28 -19.370 7.425 -9.191 200 HG3 GLU 28 HG3 GLU 28 -20.972 7.812 -8.566 201 H HIS 29 H HIS 29 -19.769 2.611 -8.588 202 HA HIS 29 HA HIS 29 -19.642 0.734 -7.298 203 HB2 HIS 29 HB2 HIS 29 -16.976 2.055 -6.900 204 HB3 HIS 29 HB3 HIS 29 -17.358 0.558 -6.054 205 HD1 HIS 29 HD1 HIS 29 -17.485 -1.595 -7.454 206 HD2 HIS 29 HD2 HIS 29 -16.612 1.805 -9.675 207 HE1 HIS 29 HE1 HIS 29 -16.738 -2.435 -9.703 208 H LEU 30 H LEU 30 -21.192 2.666 -6.115 209 HA LEU 30 HA LEU 30 -20.381 2.924 -3.338 210 HB2 LEU 30 HB2 LEU 30 -22.915 3.786 -4.726 211 HB3 LEU 30 HB3 LEU 30 -22.455 4.195 -3.075 212 HG LEU 30 HG LEU 30 -21.201 5.159 -5.636 213 HD11 LEU 30 HD11 LEU 30 -23.179 6.180 -3.839 214 HD12 LEU 30 HD12 LEU 30 -22.575 6.872 -5.344 215 HD13 LEU 30 HD13 LEU 30 -21.761 7.229 -3.821 216 HD21 LEU 30 HD21 LEU 30 -19.908 6.517 -3.688 217 HD22 LEU 30 HD22 LEU 30 -19.264 5.086 -4.494 218 HD23 LEU 30 HD23 LEU 30 -20.069 4.932 -2.931 219 H LEU 31 H LEU 31 -22.774 2.732 -2.006 220 HA LEU 31 HA LEU 31 -23.051 -0.126 -1.784 221 HB2 LEU 31 HB2 LEU 31 -24.287 2.182 -0.302 222 HB3 LEU 31 HB3 LEU 31 -24.678 0.499 0.044 223 HG LEU 31 HG LEU 31 -21.944 1.749 0.309 224 HD11 LEU 31 HD11 LEU 31 -22.276 1.839 2.613 225 HD12 LEU 31 HD12 LEU 31 -23.686 0.782 2.548 226 HD13 LEU 31 HD13 LEU 31 -23.796 2.436 1.946 227 HD21 LEU 31 HD21 LEU 31 -21.784 -0.595 -0.240 228 HD22 LEU 31 HD22 LEU 31 -22.975 -1.001 0.996 229 HD23 LEU 31 HD23 LEU 31 -21.398 -0.366 1.466 230 H SER 32 H SER 32 -25.301 2.566 -2.414 231 HA SER 32 HA SER 32 -26.741 1.070 -4.370 232 HB2 SER 32 HB2 SER 32 -28.945 1.313 -2.964 233 HB3 SER 32 HB3 SER 32 -27.889 -0.076 -2.707 234 HG SER 32 HG SER 32 -26.916 1.242 -0.987 235 H GLY 33 H GLY 33 -28.845 2.304 -4.961 236 HA2 GLY 33 HA2 GLY 33 -28.547 5.184 -4.461 237 HA3 GLY 33 HA3 GLY 33 -28.543 4.607 -6.121 238 H ARG 34 H ARG 34 -30.399 6.457 -5.257 239 HA ARG 34 HA ARG 34 -32.861 4.958 -5.680 240 HB2 ARG 34 HB2 ARG 34 -32.747 7.022 -3.489 241 HB3 ARG 34 HB3 ARG 34 -34.034 5.875 -3.837 242 HG2 ARG 34 HG2 ARG 34 -32.316 4.064 -3.273 243 HG3 ARG 34 HG3 ARG 34 -31.371 5.374 -2.563 244 HD2 ARG 34 HD2 ARG 34 -33.704 5.906 -1.408 245 HD3 ARG 34 HD3 ARG 34 -33.941 4.180 -1.681 246 HE ARG 34 HE ARG 34 -31.446 4.454 -0.523 247 HH11 ARG 34 HH11 ARG 34 -34.752 5.153 0.318 248 HH12 ARG 34 HH12 ARG 34 -34.501 4.940 2.019 249 HH21 ARG 34 HH21 ARG 34 -31.103 4.171 1.714 250 HH22 ARG 34 HH22 ARG 34 -32.425 4.383 2.812 251 H CYS 35 H CYS 35 -34.417 6.084 -6.792 252 HA CYS 35 HA CYS 35 -33.542 8.621 -7.944 253 HB2 CYS 35 HB2 CYS 35 -36.051 7.268 -8.820 254 HB3 CYS 35 HB3 CYS 35 -34.854 8.140 -9.773 255 H ARG 36 H ARG 36 -34.495 10.529 -7.551 256 HA ARG 36 HA ARG 36 -36.784 10.538 -5.707 257 HB2 ARG 36 HB2 ARG 36 -34.866 12.794 -6.312 258 HB3 ARG 36 HB3 ARG 36 -36.090 12.762 -5.049 259 HG2 ARG 36 HG2 ARG 36 -34.566 10.520 -4.531 260 HG3 ARG 36 HG3 ARG 36 -33.385 11.726 -5.044 261 HD2 ARG 36 HD2 ARG 36 -33.494 12.192 -2.807 262 HD3 ARG 36 HD3 ARG 36 -34.748 13.273 -3.412 263 HE ARG 36 HE ARG 36 -36.275 12.068 -2.225 264 HH11 ARG 36 HH11 ARG 36 -33.439 10.104 -2.700 265 HH12 ARG 36 HH12 ARG 36 -34.015 8.804 -1.711 266 HH21 ARG 36 HH21 ARG 36 -37.043 10.362 -0.920 267 HH22 ARG 36 HH22 ARG 36 -36.065 8.951 -0.700 268 H ASP 37 H ASP 37 -38.266 12.460 -5.964 269 HA ASP 37 HA ASP 37 -39.236 12.500 -8.672 270 HB2 ASP 37 HB2 ASP 37 -40.692 12.426 -6.599 271 HB3 ASP 37 HB3 ASP 37 -40.273 14.117 -6.342 272 H ASP 38 H ASP 38 -36.965 14.285 -7.004 273 HA ASP 38 HA ASP 38 -37.497 16.805 -8.356 274 HB2 ASP 38 HB2 ASP 38 -35.490 17.603 -7.127 275 HB3 ASP 38 HB3 ASP 38 -36.723 16.931 -6.063 276 H PHE 39 H PHE 39 -36.669 14.225 -9.729 277 HA PHE 39 HA PHE 39 -35.416 13.617 -11.526 278 HB2 PHE 39 HB2 PHE 39 -35.369 16.580 -11.609 279 HB3 PHE 39 HB3 PHE 39 -34.152 15.754 -12.576 280 HD1 PHE 39 HD1 PHE 39 -37.720 16.393 -12.133 281 HD2 PHE 39 HD2 PHE 39 -34.778 14.405 -14.480 282 HE1 PHE 39 HE1 PHE 39 -39.390 16.017 -13.901 283 HE2 PHE 39 HE2 PHE 39 -36.443 14.026 -16.252 284 HZ PHE 39 HZ PHE 39 -38.752 14.833 -15.964 285 H ARG 40 H ARG 40 -34.252 13.813 -8.782 286 HA ARG 40 HA ARG 40 -31.426 13.704 -9.593 287 HB2 ARG 40 HB2 ARG 40 -32.337 14.703 -6.897 288 HB3 ARG 40 HB3 ARG 40 -30.719 14.769 -7.583 289 HG2 ARG 40 HG2 ARG 40 -32.540 16.134 -9.313 290 HG3 ARG 40 HG3 ARG 40 -32.717 16.739 -7.665 291 HD2 ARG 40 HD2 ARG 40 -30.044 16.659 -7.820 292 HD3 ARG 40 HD3 ARG 40 -30.422 16.912 -9.524 293 HE ARG 40 HE ARG 40 -31.772 18.704 -7.709 294 HH11 ARG 40 HH11 ARG 40 -28.948 18.150 -9.667 295 HH12 ARG 40 HH12 ARG 40 -28.551 19.831 -9.802 296 HH21 ARG 40 HH21 ARG 40 -31.260 20.920 -7.878 297 HH22 ARG 40 HH22 ARG 40 -29.866 21.406 -8.783 298 H CYS 41 H CYS 41 -30.268 12.002 -8.831 299 HA CYS 41 HA CYS 41 -31.719 10.084 -7.128 300 HB2 CYS 41 HB2 CYS 41 -31.409 9.018 -9.197 301 HB3 CYS 41 HB3 CYS 41 -29.795 9.690 -9.404 302 H TRP 42 H TRP 42 -30.937 9.820 -5.154 303 HA TRP 42 HA TRP 42 -28.234 10.745 -4.548 304 HB2 TRP 42 HB2 TRP 42 -30.612 10.043 -2.833 305 HB3 TRP 42 HB3 TRP 42 -29.013 10.316 -2.147 306 HD1 TRP 42 HD1 TRP 42 -31.616 12.223 -4.298 307 HE1 TRP 42 HE1 TRP 42 -31.417 14.729 -3.743 308 HE3 TRP 42 HE3 TRP 42 -27.642 12.031 -1.089 309 HZ2 TRP 42 HZ2 TRP 42 -29.790 16.402 -2.156 310 HZ3 TRP 42 HZ3 TRP 42 -26.825 14.129 -0.096 311 HH2 TRP 42 HH2 TRP 42 -27.878 16.268 -0.620 312 H CYS 43 H CYS 43 -26.580 9.415 -4.179 313 HA CYS 43 HA CYS 43 -27.141 6.534 -4.002 314 HB2 CYS 43 HB2 CYS 43 -24.490 7.807 -4.681 315 HB3 CYS 43 HB3 CYS 43 -24.984 6.136 -4.937 316 H THR 44 H THR 44 -26.464 5.348 -2.301 317 HA THR 44 HA THR 44 -25.335 6.811 -0.035 318 HB THR 44 HB THR 44 -26.530 4.034 -0.133 319 HG1 THR 44 HG1 THR 44 -28.306 5.200 -0.183 320 HG21 THR 44 HG21 THR 44 -25.039 5.472 1.906 321 HG22 THR 44 HG22 THR 44 -25.518 3.776 1.846 322 HG23 THR 44 HG23 THR 44 -26.639 4.988 2.465 323 H ARG 45 H ARG 45 -23.347 6.455 0.764 324 HA ARG 45 HA ARG 45 -21.854 4.097 -0.131 325 HB2 ARG 45 HB2 ARG 45 -19.952 5.344 -0.797 326 HB3 ARG 45 HB3 ARG 45 -21.330 6.116 -1.570 327 HG2 ARG 45 HG2 ARG 45 -21.330 7.860 0.120 328 HG3 ARG 45 HG3 ARG 45 -19.987 7.071 0.950 329 HD2 ARG 45 HD2 ARG 45 -18.547 8.152 -0.347 330 HD3 ARG 45 HD3 ARG 45 -19.261 7.401 -1.772 331 HE ARG 45 HE ARG 45 -20.468 9.337 -2.169 332 HH11 ARG 45 HH11 ARG 45 -18.801 9.532 0.881 333 HH12 ARG 45 HH12 ARG 45 -19.069 11.233 1.067 334 HH21 ARG 45 HH21 ARG 45 -20.828 11.577 -1.936 335 HH22 ARG 45 HH22 ARG 45 -20.223 12.396 -0.535 336 H ASN 46 H ASN 46 -19.795 3.830 1.134 337 HA ASN 46 HA ASN 46 -20.392 4.015 3.924 338 HB2 ASN 46 HB2 ASN 46 -17.761 3.213 2.672 339 HB3 ASN 46 HB3 ASN 46 -18.360 2.784 4.271 340 HD21 ASN 46 HD21 ASN 46 -18.556 2.161 0.872 341 HD22 ASN 46 HD22 ASN 46 -19.479 0.704 0.982 342 H CYS 47 H CYS 47 -19.625 5.387 5.438 343 HA CYS 47 HA CYS 47 -17.359 7.090 4.960 344 HB2 CYS 47 HB2 CYS 47 -18.418 9.181 4.870 345 HB3 CYS 47 HB3 CYS 47 -19.380 8.179 3.788 Start of MODEL 12 1 H1 LYS 1 H LYS 1 -20.450 3.712 9.538 2 HA LYS 1 HA LYS 1 -23.062 4.890 9.223 3 HB2 LYS 1 HB2 LYS 1 -21.171 5.948 10.506 4 HB3 LYS 1 HB3 LYS 1 -20.370 6.237 8.967 5 HG2 LYS 1 HG2 LYS 1 -21.547 8.219 9.791 6 HG3 LYS 1 HG3 LYS 1 -22.191 7.657 8.246 7 HD2 LYS 1 HD2 LYS 1 -24.096 6.696 9.297 8 HD3 LYS 1 HD3 LYS 1 -23.400 6.916 10.904 9 HE2 LYS 1 HE2 LYS 1 -23.809 9.186 10.914 10 HE3 LYS 1 HE3 LYS 1 -23.840 9.295 9.155 11 HZ1 LYS 1 HZ1 LYS 1 -25.943 8.178 10.923 12 HZ2 LYS 1 HZ2 LYS 1 -25.955 8.010 9.240 13 HZ3 LYS 1 HZ3 LYS 1 -26.050 9.549 9.937 14 H THR 2 H THR 2 -23.570 6.375 7.445 15 HA THR 2 HA THR 2 -22.172 5.871 4.934 16 HB THR 2 HB THR 2 -24.474 5.535 3.824 17 HG1 THR 2 HG1 THR 2 -26.047 4.641 5.187 18 HG21 THR 2 HG21 THR 2 -22.862 3.763 3.839 19 HG22 THR 2 HG22 THR 2 -24.415 3.077 4.316 20 HG23 THR 2 HG23 THR 2 -23.186 3.411 5.536 21 H CYS 3 H CYS 3 -22.550 7.436 3.328 22 HA CYS 3 HA CYS 3 -23.962 9.843 4.277 23 HB2 CYS 3 HB2 CYS 3 -21.369 9.566 2.770 24 HB3 CYS 3 HB3 CYS 3 -22.288 11.068 2.757 25 H GLU 4 H GLU 4 -24.797 11.253 2.565 26 HA GLU 4 HA GLU 4 -25.574 9.717 0.173 27 HB2 GLU 4 HB2 GLU 4 -27.322 10.420 2.040 28 HB3 GLU 4 HB3 GLU 4 -27.277 11.950 1.177 29 HG2 GLU 4 HG2 GLU 4 -28.777 11.125 -0.220 30 HG3 GLU 4 HG3 GLU 4 -27.542 10.012 -0.805 31 H ASN 5 H ASN 5 -25.201 10.610 -1.766 32 HA ASN 5 HA ASN 5 -24.670 13.482 -1.949 33 HB2 ASN 5 HB2 ASN 5 -22.630 13.136 -3.236 34 HB3 ASN 5 HB3 ASN 5 -22.478 12.372 -1.656 35 HD21 ASN 5 HD21 ASN 5 -21.753 10.374 -1.626 36 HD22 ASN 5 HD22 ASN 5 -21.759 9.270 -2.955 37 H LEU 6 H LEU 6 -24.913 14.354 -4.061 38 HA LEU 6 HA LEU 6 -26.986 13.157 -5.570 39 HB2 LEU 6 HB2 LEU 6 -25.206 15.531 -5.975 40 HB3 LEU 6 HB3 LEU 6 -26.306 15.005 -7.248 41 HG LEU 6 HG LEU 6 -27.084 15.917 -4.479 42 HD11 LEU 6 HD11 LEU 6 -28.029 17.298 -6.906 43 HD12 LEU 6 HD12 LEU 6 -26.321 17.497 -6.513 44 HD13 LEU 6 HD13 LEU 6 -27.555 17.948 -5.336 45 HD21 LEU 6 HD21 LEU 6 -28.693 14.836 -6.776 46 HD22 LEU 6 HD22 LEU 6 -29.402 15.836 -5.508 47 HD23 LEU 6 HD23 LEU 6 -28.664 14.285 -5.101 48 H SER 7 H SER 7 -26.969 11.992 -7.423 49 HA SER 7 HA SER 7 -24.657 10.529 -8.107 50 HB2 SER 7 HB2 SER 7 -27.003 9.737 -8.448 51 HB3 SER 7 HB3 SER 7 -27.158 10.888 -9.775 52 HG SER 7 HG SER 7 -26.023 9.611 -11.009 53 H ASP 8 H ASP 8 -24.124 10.373 -10.615 54 HA ASP 8 HA ASP 8 -22.825 12.832 -11.262 55 HB2 ASP 8 HB2 ASP 8 -22.308 11.498 -13.441 56 HB3 ASP 8 HB3 ASP 8 -21.590 10.974 -11.920 57 H SER 9 H SER 9 -25.113 10.884 -13.188 58 HA SER 9 HA SER 9 -26.648 13.227 -13.876 59 HB2 SER 9 HB2 SER 9 -26.261 13.166 -16.255 60 HB3 SER 9 HB3 SER 9 -24.695 13.296 -15.453 61 HG SER 9 HG SER 9 -25.301 11.549 -17.220 62 H PHE 10 H PHE 10 -27.460 11.024 -12.508 63 HA PHE 10 HA PHE 10 -28.718 9.155 -14.330 64 HB2 PHE 10 HB2 PHE 10 -27.821 8.327 -12.210 65 HB3 PHE 10 HB3 PHE 10 -28.889 9.408 -11.320 66 HD1 PHE 10 HD1 PHE 10 -31.336 9.022 -11.351 67 HD2 PHE 10 HD2 PHE 10 -28.584 6.250 -13.042 68 HE1 PHE 10 HE1 PHE 10 -33.075 7.281 -11.319 69 HE2 PHE 10 HE2 PHE 10 -30.318 4.506 -13.014 70 HZ PHE 10 HZ PHE 10 -32.567 5.020 -12.152 71 H LYS 11 H LYS 11 -30.551 9.641 -15.321 72 HA LYS 11 HA LYS 11 -32.578 11.194 -13.855 73 HB2 LYS 11 HB2 LYS 11 -31.434 11.643 -16.558 74 HB3 LYS 11 HB3 LYS 11 -33.169 11.875 -16.384 75 HG2 LYS 11 HG2 LYS 11 -31.918 13.959 -16.100 76 HG3 LYS 11 HG3 LYS 11 -32.810 13.516 -14.643 77 HD2 LYS 11 HD2 LYS 11 -30.928 13.180 -13.436 78 HD3 LYS 11 HD3 LYS 11 -30.044 12.507 -14.808 79 HE2 LYS 11 HE2 LYS 11 -30.713 15.425 -14.700 80 HE3 LYS 11 HE3 LYS 11 -29.316 14.792 -13.830 81 HZ1 LYS 11 HZ1 LYS 11 -28.541 13.846 -15.963 82 HZ2 LYS 11 HZ2 LYS 11 -28.616 15.536 -15.972 83 HZ3 LYS 11 HZ3 LYS 11 -29.815 14.632 -16.752 84 H GLY 12 H GLY 12 -32.211 8.289 -14.236 85 HA2 GLY 12 HA2 GLY 12 -34.439 7.600 -16.009 86 HA3 GLY 12 HA3 GLY 12 -33.312 6.469 -15.275 87 HA PRO 13 HA PRO 13 -37.419 6.909 -12.873 88 HB2 PRO 13 HB2 PRO 13 -38.684 4.684 -13.777 89 HB3 PRO 13 HB3 PRO 13 -38.870 6.269 -14.536 90 HG2 PRO 13 HG2 PRO 13 -37.131 3.972 -15.349 91 HG3 PRO 13 HG3 PRO 13 -38.132 5.030 -16.360 92 HD2 PRO 13 HD2 PRO 13 -35.454 5.353 -16.117 93 HD3 PRO 13 HD3 PRO 13 -36.562 6.718 -16.366 94 H CYS 14 H CYS 14 -37.819 5.754 -11.002 95 HA CYS 14 HA CYS 14 -35.806 3.765 -10.313 96 HB2 CYS 14 HB2 CYS 14 -37.562 5.621 -8.821 97 HB3 CYS 14 HB3 CYS 14 -37.241 4.077 -8.037 98 H ILE 15 H ILE 15 -36.336 1.747 -9.343 99 HA ILE 15 HA ILE 15 -39.034 0.792 -9.285 100 HB ILE 15 HB ILE 15 -38.252 -1.152 -10.941 101 HG12 ILE 15 HG12 ILE 15 -36.925 1.333 -12.047 102 HG13 ILE 15 HG13 ILE 15 -36.075 -0.065 -11.398 103 HG21 ILE 15 HG21 ILE 15 -39.217 1.067 -12.533 104 HG22 ILE 15 HG22 ILE 15 -40.017 -0.442 -12.096 105 HG23 ILE 15 HG23 ILE 15 -40.071 0.935 -10.996 106 HD11 ILE 15 HD11 ILE 15 -36.280 -1.194 -13.301 107 HD12 ILE 15 HD12 ILE 15 -37.981 -0.761 -13.479 108 HD13 ILE 15 HD13 ILE 15 -36.725 0.351 -14.024 109 HA PRO 16 HA PRO 16 -37.359 -2.177 -6.523 110 HB2 PRO 16 HB2 PRO 16 -38.835 -4.397 -7.034 111 HB3 PRO 16 HB3 PRO 16 -39.491 -2.975 -6.213 112 HG2 PRO 16 HG2 PRO 16 -39.743 -3.790 -9.082 113 HG3 PRO 16 HG3 PRO 16 -40.980 -3.140 -7.991 114 HD2 PRO 16 HD2 PRO 16 -39.711 -1.611 -9.831 115 HD3 PRO 16 HD3 PRO 16 -40.265 -0.967 -8.272 116 H ASP 17 H ASP 17 -36.956 -2.522 -9.836 117 HA ASP 17 HA ASP 17 -35.617 -5.080 -9.790 118 HB2 ASP 17 HB2 ASP 17 -35.766 -2.980 -11.963 119 HB3 ASP 17 HB3 ASP 17 -35.120 -4.607 -12.158 120 H GLY 18 H GLY 18 -34.741 -1.692 -9.666 121 HA2 GLY 18 HA2 GLY 18 -32.709 -1.021 -8.577 122 HA3 GLY 18 HA3 GLY 18 -31.964 -2.510 -9.138 123 H ASN 19 H ASN 19 -33.259 0.595 -10.243 124 HA ASN 19 HA ASN 19 -31.671 0.369 -12.694 125 HB2 ASN 19 HB2 ASN 19 -34.070 1.920 -11.882 126 HB3 ASN 19 HB3 ASN 19 -32.975 2.697 -13.022 127 HD21 ASN 19 HD21 ASN 19 -33.670 -0.739 -12.725 128 HD22 ASN 19 HD22 ASN 19 -34.387 -0.915 -14.287 129 H CYS 20 H CYS 20 -32.102 2.414 -9.849 130 HA CYS 20 HA CYS 20 -29.917 4.154 -10.656 131 HB2 CYS 20 HB2 CYS 20 -31.975 5.052 -9.554 132 HB3 CYS 20 HB3 CYS 20 -31.518 4.185 -8.091 133 H ASN 21 H ASN 21 -30.397 1.327 -8.808 134 HA ASN 21 HA ASN 21 -28.211 1.673 -6.994 135 HB2 ASN 21 HB2 ASN 21 -30.092 0.183 -6.467 136 HB3 ASN 21 HB3 ASN 21 -29.667 -0.844 -7.833 137 HD21 ASN 21 HD21 ASN 21 -29.101 -2.680 -6.846 138 HD22 ASN 21 HD22 ASN 21 -27.833 -2.824 -5.681 139 H LYS 22 H LYS 22 -28.670 -0.526 -9.767 140 HA LYS 22 HA LYS 22 -26.074 -1.480 -9.924 141 HB2 LYS 22 HB2 LYS 22 -26.580 -2.039 -12.262 142 HB3 LYS 22 HB3 LYS 22 -27.916 -2.452 -11.196 143 HG2 LYS 22 HG2 LYS 22 -29.210 -1.383 -12.652 144 HG3 LYS 22 HG3 LYS 22 -28.531 0.106 -11.991 145 HD2 LYS 22 HD2 LYS 22 -27.220 0.470 -13.805 146 HD3 LYS 22 HD3 LYS 22 -26.936 -1.251 -14.077 147 HE2 LYS 22 HE2 LYS 22 -29.671 -0.831 -14.540 148 HE3 LYS 22 HE3 LYS 22 -28.836 0.507 -15.327 149 HZ1 LYS 22 HZ1 LYS 22 -28.021 -2.313 -15.711 150 HZ2 LYS 22 HZ2 LYS 22 -27.591 -0.967 -16.640 151 HZ3 LYS 22 HZ3 LYS 22 -29.173 -1.562 -16.697 152 H HIS 23 H HIS 23 -27.445 1.502 -11.174 153 HA HIS 23 HA HIS 23 -25.317 2.263 -12.844 154 HB2 HIS 23 HB2 HIS 23 -27.738 3.282 -12.447 155 HB3 HIS 23 HB3 HIS 23 -26.851 4.349 -11.363 156 HD1 HIS 23 HD1 HIS 23 -25.437 6.171 -12.412 157 HD2 HIS 23 HD2 HIS 23 -27.018 3.527 -15.199 158 HE1 HIS 23 HE1 HIS 23 -24.985 7.211 -14.656 159 H CYS 24 H CYS 24 -26.082 3.541 -9.599 160 HA CYS 24 HA CYS 24 -23.588 4.811 -9.261 161 HB2 CYS 24 HB2 CYS 24 -25.807 4.033 -7.392 162 HB3 CYS 24 HB3 CYS 24 -24.303 4.696 -6.760 163 H LYS 25 H LYS 25 -24.479 1.546 -9.080 164 HA LYS 25 HA LYS 25 -22.340 0.803 -7.253 165 HB2 LYS 25 HB2 LYS 25 -24.564 -0.671 -8.617 166 HB3 LYS 25 HB3 LYS 25 -23.196 -1.566 -7.970 167 HG2 LYS 25 HG2 LYS 25 -23.682 -0.263 -5.789 168 HG3 LYS 25 HG3 LYS 25 -25.261 0.033 -6.521 169 HD2 LYS 25 HD2 LYS 25 -25.839 -1.932 -5.609 170 HD3 LYS 25 HD3 LYS 25 -24.927 -2.649 -6.940 171 HE2 LYS 25 HE2 LYS 25 -22.890 -2.401 -5.374 172 HE3 LYS 25 HE3 LYS 25 -24.088 -2.206 -4.096 173 HZ1 LYS 25 HZ1 LYS 25 -25.061 -4.368 -5.074 174 HZ2 LYS 25 HZ2 LYS 25 -23.694 -4.460 -4.082 175 HZ3 LYS 25 HZ3 LYS 25 -23.528 -4.567 -5.762 176 H GLU 26 H GLU 26 -22.959 1.004 -10.650 177 HA GLU 26 HA GLU 26 -20.599 -0.600 -11.290 178 HB2 GLU 26 HB2 GLU 26 -22.837 0.545 -12.946 179 HB3 GLU 26 HB3 GLU 26 -21.372 -0.083 -13.689 180 HG2 GLU 26 HG2 GLU 26 -21.789 -2.253 -12.586 181 HG3 GLU 26 HG3 GLU 26 -23.307 -1.609 -11.964 182 H LYS 27 H LYS 27 -21.570 2.649 -10.906 183 HA LYS 27 HA LYS 27 -19.284 3.646 -12.451 184 HB2 LYS 27 HB2 LYS 27 -21.570 5.173 -11.191 185 HB3 LYS 27 HB3 LYS 27 -20.313 5.857 -12.213 186 HG2 LYS 27 HG2 LYS 27 -21.211 4.009 -13.894 187 HG3 LYS 27 HG3 LYS 27 -22.679 4.233 -12.939 188 HD2 LYS 27 HD2 LYS 27 -22.963 6.398 -13.632 189 HD3 LYS 27 HD3 LYS 27 -21.237 6.653 -13.900 190 HE2 LYS 27 HE2 LYS 27 -22.317 4.610 -15.650 191 HE3 LYS 27 HE3 LYS 27 -23.165 6.145 -15.832 192 HZ1 LYS 27 HZ1 LYS 27 -20.613 5.420 -16.780 193 HZ2 LYS 27 HZ2 LYS 27 -20.452 6.723 -15.714 194 HZ3 LYS 27 HZ3 LYS 27 -21.477 6.850 -17.053 195 H GLU 28 H GLU 28 -20.835 4.805 -9.466 196 HA GLU 28 HA GLU 28 -18.247 5.501 -8.376 197 HB2 GLU 28 HB2 GLU 28 -21.089 5.985 -7.603 198 HB3 GLU 28 HB3 GLU 28 -19.851 6.115 -6.361 199 HG2 GLU 28 HG2 GLU 28 -19.505 7.564 -8.943 200 HG3 GLU 28 HG3 GLU 28 -20.585 8.212 -7.711 201 H HIS 29 H HIS 29 -20.141 2.756 -8.420 202 HA HIS 29 HA HIS 29 -20.181 0.812 -7.234 203 HB2 HIS 29 HB2 HIS 29 -17.414 1.800 -6.528 204 HB3 HIS 29 HB3 HIS 29 -18.007 0.192 -6.125 205 HD1 HIS 29 HD1 HIS 29 -16.675 2.221 -8.923 206 HD2 HIS 29 HD2 HIS 29 -18.352 -1.538 -8.356 207 HE1 HIS 29 HE1 HIS 29 -16.191 0.944 -11.034 208 H LEU 30 H LEU 30 -21.587 2.773 -5.982 209 HA LEU 30 HA LEU 30 -20.781 2.831 -3.183 210 HB2 LEU 30 HB2 LEU 30 -23.201 4.037 -4.516 211 HB3 LEU 30 HB3 LEU 30 -22.653 4.343 -2.869 212 HG LEU 30 HG LEU 30 -21.355 5.222 -5.441 213 HD11 LEU 30 HD11 LEU 30 -22.465 7.102 -5.077 214 HD12 LEU 30 HD12 LEU 30 -21.659 7.275 -3.519 215 HD13 LEU 30 HD13 LEU 30 -23.193 6.413 -3.626 216 HD21 LEU 30 HD21 LEU 30 -19.891 6.372 -3.461 217 HD22 LEU 30 HD22 LEU 30 -19.410 4.933 -4.360 218 HD23 LEU 30 HD23 LEU 30 -20.191 4.770 -2.787 219 H LEU 31 H LEU 31 -23.174 2.832 -1.870 220 HA LEU 31 HA LEU 31 -23.779 0.029 -1.786 221 HB2 LEU 31 HB2 LEU 31 -24.882 2.391 -0.278 222 HB3 LEU 31 HB3 LEU 31 -25.375 0.725 0.018 223 HG LEU 31 HG LEU 31 -22.554 1.743 0.338 224 HD11 LEU 31 HD11 LEU 31 -24.041 0.978 2.731 225 HD12 LEU 31 HD12 LEU 31 -24.669 2.419 1.932 226 HD13 LEU 31 HD13 LEU 31 -22.982 2.358 2.443 227 HD21 LEU 31 HD21 LEU 31 -22.821 -0.675 -0.141 228 HD22 LEU 31 HD22 LEU 31 -23.845 -0.811 1.288 229 HD23 LEU 31 HD23 LEU 31 -22.151 -0.348 1.457 230 H SER 32 H SER 32 -25.728 2.952 -2.393 231 HA SER 32 HA SER 32 -27.244 1.643 -4.437 232 HB2 SER 32 HB2 SER 32 -29.428 1.734 -3.342 233 HB3 SER 32 HB3 SER 32 -28.332 0.703 -2.423 234 HG SER 32 HG SER 32 -28.276 2.140 -0.838 235 H GLY 33 H GLY 33 -29.408 3.189 -4.700 236 HA2 GLY 33 HA2 GLY 33 -28.764 5.979 -4.269 237 HA3 GLY 33 HA3 GLY 33 -28.657 5.460 -5.944 238 H ARG 34 H ARG 34 -30.613 6.962 -3.836 239 HA ARG 34 HA ARG 34 -33.103 5.822 -4.879 240 HB2 ARG 34 HB2 ARG 34 -32.872 7.985 -2.794 241 HB3 ARG 34 HB3 ARG 34 -34.232 6.914 -3.106 242 HG2 ARG 34 HG2 ARG 34 -32.422 5.071 -2.487 243 HG3 ARG 34 HG3 ARG 34 -31.740 6.428 -1.588 244 HD2 ARG 34 HD2 ARG 34 -33.168 5.862 0.035 245 HD3 ARG 34 HD3 ARG 34 -34.412 6.583 -0.984 246 HE ARG 34 HE ARG 34 -33.958 3.866 -1.678 247 HH11 ARG 34 HH11 ARG 34 -35.499 5.906 0.685 248 HH12 ARG 34 HH12 ARG 34 -36.705 4.734 1.102 249 HH21 ARG 34 HH21 ARG 34 -35.541 2.315 -1.138 250 HH22 ARG 34 HH22 ARG 34 -36.728 2.691 0.065 251 H CYS 35 H CYS 35 -34.572 7.004 -6.058 252 HA CYS 35 HA CYS 35 -33.526 9.481 -7.232 253 HB2 CYS 35 HB2 CYS 35 -35.932 8.122 -8.346 254 HB3 CYS 35 HB3 CYS 35 -34.627 8.959 -9.181 255 H ARG 36 H ARG 36 -34.531 11.391 -6.989 256 HA ARG 36 HA ARG 36 -36.985 11.421 -5.372 257 HB2 ARG 36 HB2 ARG 36 -34.695 12.661 -4.795 258 HB3 ARG 36 HB3 ARG 36 -35.399 13.898 -5.826 259 HG2 ARG 36 HG2 ARG 36 -36.547 14.633 -4.086 260 HG3 ARG 36 HG3 ARG 36 -37.431 13.106 -4.062 261 HD2 ARG 36 HD2 ARG 36 -35.742 12.135 -2.601 262 HD3 ARG 36 HD3 ARG 36 -34.815 13.634 -2.656 263 HE ARG 36 HE ARG 36 -37.513 13.960 -1.709 264 HH11 ARG 36 HH11 ARG 36 -34.227 13.221 -0.827 265 HH12 ARG 36 HH12 ARG 36 -34.425 13.703 0.826 266 HH21 ARG 36 HH21 ARG 36 -37.786 14.596 0.464 267 HH22 ARG 36 HH22 ARG 36 -36.450 14.484 1.559 268 H ASP 37 H ASP 37 -38.126 13.733 -5.814 269 HA ASP 37 HA ASP 37 -39.146 13.494 -8.497 270 HB2 ASP 37 HB2 ASP 37 -40.548 13.983 -6.442 271 HB3 ASP 37 HB3 ASP 37 -39.860 15.605 -6.460 272 H ASP 38 H ASP 38 -36.571 15.108 -7.137 273 HA ASP 38 HA ASP 38 -36.722 17.468 -8.820 274 HB2 ASP 38 HB2 ASP 38 -34.498 18.000 -7.795 275 HB3 ASP 38 HB3 ASP 38 -35.797 17.790 -6.624 276 H PHE 39 H PHE 39 -36.361 14.553 -9.763 277 HA PHE 39 HA PHE 39 -35.324 13.482 -11.480 278 HB2 PHE 39 HB2 PHE 39 -34.964 16.355 -12.114 279 HB3 PHE 39 HB3 PHE 39 -33.920 15.231 -12.979 280 HD1 PHE 39 HD1 PHE 39 -37.435 16.124 -12.296 281 HD2 PHE 39 HD2 PHE 39 -34.753 13.885 -14.727 282 HE1 PHE 39 HE1 PHE 39 -39.267 15.640 -13.866 283 HE2 PHE 39 HE2 PHE 39 -36.580 13.398 -16.301 284 HZ PHE 39 HZ PHE 39 -38.840 14.277 -15.872 285 H ARG 40 H ARG 40 -33.883 14.262 -8.884 286 HA ARG 40 HA ARG 40 -31.148 13.706 -9.831 287 HB2 ARG 40 HB2 ARG 40 -31.890 15.003 -7.208 288 HB3 ARG 40 HB3 ARG 40 -30.286 14.858 -7.914 289 HG2 ARG 40 HG2 ARG 40 -32.029 16.216 -9.737 290 HG3 ARG 40 HG3 ARG 40 -32.085 16.990 -8.153 291 HD2 ARG 40 HD2 ARG 40 -29.439 16.630 -8.375 292 HD3 ARG 40 HD3 ARG 40 -29.856 16.758 -10.083 293 HE ARG 40 HE ARG 40 -30.967 18.839 -8.427 294 HH11 ARG 40 HH11 ARG 40 -28.250 17.823 -10.352 295 HH12 ARG 40 HH12 ARG 40 -27.690 19.436 -10.648 296 HH21 ARG 40 HH21 ARG 40 -30.241 20.967 -8.810 297 HH22 ARG 40 HH22 ARG 40 -28.823 21.223 -9.770 298 H CYS 41 H CYS 41 -30.067 11.991 -8.998 299 HA CYS 41 HA CYS 41 -31.561 10.284 -7.123 300 HB2 CYS 41 HB2 CYS 41 -30.798 9.564 -9.565 301 HB3 CYS 41 HB3 CYS 41 -29.286 9.219 -8.732 302 H TRP 42 H TRP 42 -30.801 10.149 -5.128 303 HA TRP 42 HA TRP 42 -28.086 11.047 -4.559 304 HB2 TRP 42 HB2 TRP 42 -30.506 10.510 -2.851 305 HB3 TRP 42 HB3 TRP 42 -28.910 10.724 -2.136 306 HD1 TRP 42 HD1 TRP 42 -31.388 12.682 -4.382 307 HE1 TRP 42 HE1 TRP 42 -31.055 15.193 -3.928 308 HE3 TRP 42 HE3 TRP 42 -27.431 12.405 -1.157 309 HZ2 TRP 42 HZ2 TRP 42 -29.341 16.839 -2.405 310 HZ3 TRP 42 HZ3 TRP 42 -26.503 14.495 -0.247 311 HH2 TRP 42 HH2 TRP 42 -27.440 16.665 -0.859 312 H CYS 43 H CYS 43 -26.482 9.633 -4.459 313 HA CYS 43 HA CYS 43 -27.067 6.804 -4.053 314 HB2 CYS 43 HB2 CYS 43 -24.408 8.086 -4.702 315 HB3 CYS 43 HB3 CYS 43 -24.833 6.384 -4.848 316 H THR 44 H THR 44 -26.467 5.649 -2.301 317 HA THR 44 HA THR 44 -25.323 7.151 -0.057 318 HB THR 44 HB THR 44 -26.815 4.521 -0.086 319 HG1 THR 44 HG1 THR 44 -28.499 5.710 0.705 320 HG21 THR 44 HG21 THR 44 -25.134 5.775 1.933 321 HG22 THR 44 HG22 THR 44 -25.807 4.146 1.878 322 HG23 THR 44 HG23 THR 44 -26.775 5.479 2.506 323 H ARG 45 H ARG 45 -23.381 6.679 0.785 324 HA ARG 45 HA ARG 45 -22.092 4.147 0.058 325 HB2 ARG 45 HB2 ARG 45 -20.043 5.216 -0.561 326 HB3 ARG 45 HB3 ARG 45 -21.334 5.971 -1.486 327 HG2 ARG 45 HG2 ARG 45 -21.344 7.863 0.048 328 HG3 ARG 45 HG3 ARG 45 -20.067 7.102 1.000 329 HD2 ARG 45 HD2 ARG 45 -19.801 7.818 -1.915 330 HD3 ARG 45 HD3 ARG 45 -19.277 8.861 -0.593 331 HE ARG 45 HE ARG 45 -18.176 6.198 -0.519 332 HH11 ARG 45 HH11 ARG 45 -17.790 9.450 -1.699 333 HH12 ARG 45 HH12 ARG 45 -16.076 9.311 -1.905 334 HH21 ARG 45 HH21 ARG 45 -15.919 6.002 -0.785 335 HH22 ARG 45 HH22 ARG 45 -15.013 7.349 -1.386 336 H ASN 46 H ASN 46 -20.072 3.788 1.381 337 HA ASN 46 HA ASN 46 -20.716 4.140 4.142 338 HB2 ASN 46 HB2 ASN 46 -18.128 3.094 2.980 339 HB3 ASN 46 HB3 ASN 46 -18.770 2.796 4.593 340 HD21 ASN 46 HD21 ASN 46 -19.027 2.037 1.216 341 HD22 ASN 46 HD22 ASN 46 -20.035 0.646 1.397 342 H CYS 47 H CYS 47 -19.892 5.525 5.614 343 HA CYS 47 HA CYS 47 -17.505 7.053 5.102 344 HB2 CYS 47 HB2 CYS 47 -18.434 9.203 4.947 345 HB3 CYS 47 HB3 CYS 47 -19.445 8.230 3.884 Start of MODEL 13 1 H1 LYS 1 H LYS 1 -18.756 4.197 9.197 2 HA LYS 1 HA LYS 1 -21.392 5.267 9.088 3 HB2 LYS 1 HB2 LYS 1 -19.377 6.422 10.058 4 HB3 LYS 1 HB3 LYS 1 -18.810 6.683 8.414 5 HG2 LYS 1 HG2 LYS 1 -19.926 8.655 9.342 6 HG3 LYS 1 HG3 LYS 1 -20.757 8.027 7.917 7 HD2 LYS 1 HD2 LYS 1 -22.452 7.016 9.266 8 HD3 LYS 1 HD3 LYS 1 -21.559 7.369 10.748 9 HE2 LYS 1 HE2 LYS 1 -22.279 9.646 8.981 10 HE3 LYS 1 HE3 LYS 1 -23.570 8.887 9.910 11 HZ1 LYS 1 HZ1 LYS 1 -22.846 10.453 11.380 12 HZ2 LYS 1 HZ2 LYS 1 -21.240 10.391 10.856 13 HZ3 LYS 1 HZ3 LYS 1 -21.854 9.162 11.842 14 H THR 2 H THR 2 -22.204 6.673 7.363 15 HA THR 2 HA THR 2 -21.159 6.140 4.691 16 HB THR 2 HB THR 2 -23.571 5.682 3.924 17 HG1 THR 2 HG1 THR 2 -25.010 5.516 5.457 18 HG21 THR 2 HG21 THR 2 -22.012 3.656 5.529 19 HG22 THR 2 HG22 THR 2 -21.890 3.969 3.798 20 HG23 THR 2 HG23 THR 2 -23.357 3.254 4.464 21 H CYS 3 H CYS 3 -21.836 7.635 3.112 22 HA CYS 3 HA CYS 3 -23.276 9.984 4.156 23 HB2 CYS 3 HB2 CYS 3 -20.789 9.901 2.446 24 HB3 CYS 3 HB3 CYS 3 -21.779 11.346 2.625 25 H GLU 4 H GLU 4 -24.315 11.309 2.504 26 HA GLU 4 HA GLU 4 -25.081 9.726 0.139 27 HB2 GLU 4 HB2 GLU 4 -26.786 10.251 2.102 28 HB3 GLU 4 HB3 GLU 4 -26.924 11.787 1.258 29 HG2 GLU 4 HG2 GLU 4 -28.569 10.682 0.186 30 HG3 GLU 4 HG3 GLU 4 -27.222 10.160 -0.824 31 H ASN 5 H ASN 5 -25.145 10.733 -1.822 32 HA ASN 5 HA ASN 5 -24.719 13.620 -1.951 33 HB2 ASN 5 HB2 ASN 5 -22.854 13.381 -3.529 34 HB3 ASN 5 HB3 ASN 5 -22.464 12.648 -1.975 35 HD21 ASN 5 HD21 ASN 5 -21.598 10.712 -2.044 36 HD22 ASN 5 HD22 ASN 5 -21.728 9.582 -3.344 37 H LEU 6 H LEU 6 -25.435 14.580 -3.851 38 HA LEU 6 HA LEU 6 -27.504 13.212 -5.230 39 HB2 LEU 6 HB2 LEU 6 -26.220 15.893 -5.441 40 HB3 LEU 6 HB3 LEU 6 -27.259 15.339 -6.752 41 HG LEU 6 HG LEU 6 -28.073 15.705 -3.869 42 HD11 LEU 6 HD11 LEU 6 -28.224 17.842 -4.514 43 HD12 LEU 6 HD12 LEU 6 -29.655 17.313 -5.399 44 HD13 LEU 6 HD13 LEU 6 -28.102 17.437 -6.227 45 HD21 LEU 6 HD21 LEU 6 -29.489 14.588 -6.261 46 HD22 LEU 6 HD22 LEU 6 -30.386 15.383 -4.967 47 HD23 LEU 6 HD23 LEU 6 -29.408 13.957 -4.616 48 H SER 7 H SER 7 -27.439 12.016 -7.016 49 HA SER 7 HA SER 7 -24.898 11.638 -8.366 50 HB2 SER 7 HB2 SER 7 -26.737 9.842 -7.687 51 HB3 SER 7 HB3 SER 7 -27.384 10.257 -9.274 52 HG SER 7 HG SER 7 -25.848 9.124 -10.130 53 H ASP 8 H ASP 8 -24.335 12.636 -10.175 54 HA ASP 8 HA ASP 8 -26.359 14.149 -11.649 55 HB2 ASP 8 HB2 ASP 8 -24.257 15.083 -12.812 56 HB3 ASP 8 HB3 ASP 8 -24.538 15.537 -11.133 57 H SER 9 H SER 9 -24.479 11.305 -11.874 58 HA SER 9 HA SER 9 -24.530 11.152 -14.759 59 HB2 SER 9 HB2 SER 9 -23.421 9.025 -14.494 60 HB3 SER 9 HB3 SER 9 -22.685 10.170 -13.372 61 HG SER 9 HG SER 9 -23.101 8.648 -11.973 62 H PHE 10 H PHE 10 -26.649 10.420 -12.213 63 HA PHE 10 HA PHE 10 -28.052 8.302 -13.606 64 HB2 PHE 10 HB2 PHE 10 -27.848 8.310 -11.129 65 HB3 PHE 10 HB3 PHE 10 -28.824 9.775 -11.079 66 HD1 PHE 10 HD2 PHE 10 -31.203 9.700 -11.688 67 HD2 PHE 10 HD1 PHE 10 -28.833 6.171 -11.469 68 HE1 PHE 10 HE2 PHE 10 -33.248 8.334 -11.622 69 HE2 PHE 10 HE1 PHE 10 -30.875 4.799 -11.403 70 HZ PHE 10 HZ PHE 10 -33.087 5.881 -11.478 71 H LYS 11 H LYS 11 -29.666 8.587 -14.993 72 HA LYS 11 HA LYS 11 -31.307 11.001 -14.841 73 HB2 LYS 11 HB2 LYS 11 -29.470 10.278 -17.050 74 HB3 LYS 11 HB3 LYS 11 -31.072 10.829 -17.524 75 HG2 LYS 11 HG2 LYS 11 -29.797 12.768 -17.514 76 HG3 LYS 11 HG3 LYS 11 -30.637 12.816 -15.962 77 HD2 LYS 11 HD2 LYS 11 -28.681 12.944 -14.915 78 HD3 LYS 11 HD3 LYS 11 -28.217 11.382 -15.593 79 HE2 LYS 11 HE2 LYS 11 -27.788 14.101 -16.823 80 HE3 LYS 11 HE3 LYS 11 -26.553 13.023 -16.173 81 HZ1 LYS 11 HZ1 LYS 11 -27.463 11.391 -17.928 82 HZ2 LYS 11 HZ2 LYS 11 -26.434 12.637 -18.427 83 HZ3 LYS 11 HZ3 LYS 11 -28.103 12.774 -18.664 84 H GLY 12 H GLY 12 -33.019 10.773 -16.794 85 HA2 GLY 12 HA2 GLY 12 -34.765 9.573 -17.699 86 HA3 GLY 12 HA3 GLY 12 -33.831 8.110 -17.425 87 HA PRO 13 HA PRO 13 -37.487 8.543 -14.426 88 HB2 PRO 13 HB2 PRO 13 -39.068 6.607 -15.488 89 HB3 PRO 13 HB3 PRO 13 -39.162 8.302 -15.981 90 HG2 PRO 13 HG2 PRO 13 -37.770 6.014 -17.319 91 HG3 PRO 13 HG3 PRO 13 -38.753 7.302 -18.040 92 HD2 PRO 13 HD2 PRO 13 -36.045 7.344 -18.071 93 HD3 PRO 13 HD3 PRO 13 -37.022 8.824 -17.987 94 H CYS 14 H CYS 14 -37.224 7.428 -12.601 95 HA CYS 14 HA CYS 14 -35.444 5.362 -12.230 96 HB2 CYS 14 HB2 CYS 14 -36.811 6.868 -10.536 97 HB3 CYS 14 HB3 CYS 14 -37.868 5.461 -10.487 98 H ILE 15 H ILE 15 -35.694 3.113 -11.821 99 HA ILE 15 HA ILE 15 -38.090 1.917 -13.049 100 HB ILE 15 HB ILE 15 -36.442 0.007 -13.673 101 HG12 ILE 15 HG12 ILE 15 -34.431 2.184 -13.973 102 HG13 ILE 15 HG13 ILE 15 -34.612 1.458 -12.380 103 HG21 ILE 15 HG21 ILE 15 -35.883 2.289 -15.433 104 HG22 ILE 15 HG22 ILE 15 -36.635 0.735 -15.790 105 HG23 ILE 15 HG23 ILE 15 -37.589 2.030 -15.067 106 HD11 ILE 15 HD11 ILE 15 -33.121 -0.027 -13.107 107 HD12 ILE 15 HD12 ILE 15 -34.470 -0.735 -13.996 108 HD13 ILE 15 HD13 ILE 15 -33.383 0.399 -14.799 109 HA PRO 16 HA PRO 16 -38.517 -0.640 -9.509 110 HB2 PRO 16 HB2 PRO 16 -39.341 -2.990 -10.592 111 HB3 PRO 16 HB3 PRO 16 -40.370 -1.555 -10.515 112 HG2 PRO 16 HG2 PRO 16 -38.763 -2.613 -12.809 113 HG3 PRO 16 HG3 PRO 16 -40.413 -1.962 -12.804 114 HD2 PRO 16 HD2 PRO 16 -38.274 -0.504 -13.598 115 HD3 PRO 16 HD3 PRO 16 -39.685 0.225 -12.804 116 H ASP 17 H ASP 17 -36.855 -2.313 -12.180 117 HA ASP 17 HA ASP 17 -35.475 -4.108 -10.425 118 HB2 ASP 17 HB2 ASP 17 -35.010 -3.463 -13.344 119 HB3 ASP 17 HB3 ASP 17 -34.248 -4.786 -12.466 120 H GLY 18 H GLY 18 -34.673 -2.285 -9.037 121 HA2 GLY 18 HA2 GLY 18 -32.580 -1.533 -8.246 122 HA3 GLY 18 HA3 GLY 18 -31.954 -1.622 -9.885 123 H ASN 19 H ASN 19 -34.219 0.200 -7.848 124 HA ASN 19 HA ASN 19 -34.775 2.341 -9.452 125 HB2 ASN 19 HB2 ASN 19 -34.635 3.670 -7.173 126 HB3 ASN 19 HB3 ASN 19 -35.881 2.452 -7.431 127 HD21 ASN 19 HD21 ASN 19 -33.210 3.412 -5.566 128 HD22 ASN 19 HD22 ASN 19 -33.141 2.035 -4.526 129 H CYS 20 H CYS 20 -32.151 2.403 -7.032 130 HA CYS 20 HA CYS 20 -30.487 3.877 -8.937 131 HB2 CYS 20 HB2 CYS 20 -31.532 4.886 -6.347 132 HB3 CYS 20 HB3 CYS 20 -29.846 5.238 -6.712 133 H ASN 21 H ASN 21 -30.716 1.215 -7.276 134 HA ASN 21 HA ASN 21 -28.248 1.204 -5.794 135 HB2 ASN 21 HB2 ASN 21 -30.275 -0.185 -5.212 136 HB3 ASN 21 HB3 ASN 21 -29.910 -1.181 -6.618 137 HD21 ASN 21 HD21 ASN 21 -29.327 -3.045 -5.694 138 HD22 ASN 21 HD22 ASN 21 -28.017 -3.228 -4.582 139 H LYS 22 H LYS 22 -29.324 -0.907 -8.457 140 HA LYS 22 HA LYS 22 -26.860 -1.871 -9.206 141 HB2 LYS 22 HB2 LYS 22 -27.847 -2.373 -11.381 142 HB3 LYS 22 HB3 LYS 22 -28.988 -2.724 -10.089 143 HG2 LYS 22 HG2 LYS 22 -30.403 -1.632 -11.460 144 HG3 LYS 22 HG3 LYS 22 -29.732 -0.218 -10.644 145 HD2 LYS 22 HD2 LYS 22 -28.908 0.549 -12.563 146 HD3 LYS 22 HD3 LYS 22 -28.039 -0.963 -12.835 147 HE2 LYS 22 HE2 LYS 22 -29.696 -1.836 -14.153 148 HE3 LYS 22 HE3 LYS 22 -30.966 -0.903 -13.362 149 HZ1 LYS 22 HZ1 LYS 22 -29.082 0.759 -14.727 150 HZ2 LYS 22 HZ2 LYS 22 -30.768 0.720 -14.847 151 HZ3 LYS 22 HZ3 LYS 22 -29.830 -0.340 -15.773 152 H HIS 23 H HIS 23 -28.400 1.156 -10.148 153 HA HIS 23 HA HIS 23 -26.553 1.904 -12.141 154 HB2 HIS 23 HB2 HIS 23 -28.896 2.918 -11.376 155 HB3 HIS 23 HB3 HIS 23 -27.848 4.008 -10.473 156 HD1 HIS 23 HD1 HIS 23 -29.219 3.407 -13.807 157 HD2 HIS 23 HD2 HIS 23 -26.035 5.516 -12.172 158 HE1 HIS 23 HE1 HIS 23 -28.484 5.009 -15.600 159 H CYS 24 H CYS 24 -26.842 3.228 -8.837 160 HA CYS 24 HA CYS 24 -24.362 4.535 -8.857 161 HB2 CYS 24 HB2 CYS 24 -26.080 3.549 -6.578 162 HB3 CYS 24 HB3 CYS 24 -24.623 4.508 -6.338 163 H LYS 25 H LYS 25 -25.129 1.230 -8.547 164 HA LYS 25 HA LYS 25 -22.658 0.547 -7.171 165 HB2 LYS 25 HB2 LYS 25 -25.039 -1.022 -8.118 166 HB3 LYS 25 HB3 LYS 25 -23.554 -1.840 -7.650 167 HG2 LYS 25 HG2 LYS 25 -23.741 -0.553 -5.455 168 HG3 LYS 25 HG3 LYS 25 -25.395 -0.190 -5.954 169 HD2 LYS 25 HD2 LYS 25 -25.889 -2.120 -4.909 170 HD3 LYS 25 HD3 LYS 25 -25.287 -2.870 -6.389 171 HE2 LYS 25 HE2 LYS 25 -22.972 -2.670 -5.170 172 HE3 LYS 25 HE3 LYS 25 -23.976 -2.594 -3.723 173 HZ1 LYS 25 HZ1 LYS 25 -24.166 -4.754 -5.748 174 HZ2 LYS 25 HZ2 LYS 25 -24.917 -4.703 -4.234 175 HZ3 LYS 25 HZ3 LYS 25 -23.237 -4.866 -4.339 176 H GLU 26 H GLU 26 -23.928 0.726 -10.382 177 HA GLU 26 HA GLU 26 -21.718 -0.841 -11.476 178 HB2 GLU 26 HB2 GLU 26 -24.255 0.276 -12.637 179 HB3 GLU 26 HB3 GLU 26 -22.950 -0.273 -13.680 180 HG2 GLU 26 HG2 GLU 26 -23.067 -2.490 -12.625 181 HG3 GLU 26 HG3 GLU 26 -24.420 -1.930 -11.643 182 H LYS 27 H LYS 27 -22.607 2.394 -10.869 183 HA LYS 27 HA LYS 27 -20.666 3.424 -12.815 184 HB2 LYS 27 HB2 LYS 27 -22.678 4.928 -11.131 185 HB3 LYS 27 HB3 LYS 27 -21.649 5.622 -12.377 186 HG2 LYS 27 HG2 LYS 27 -22.848 3.769 -13.854 187 HG3 LYS 27 HG3 LYS 27 -24.103 3.986 -12.631 188 HD2 LYS 27 HD2 LYS 27 -24.573 5.491 -14.423 189 HD3 LYS 27 HD3 LYS 27 -23.977 6.450 -13.067 190 HE2 LYS 27 HE2 LYS 27 -22.229 7.184 -14.242 191 HE3 LYS 27 HE3 LYS 27 -21.827 5.558 -14.793 192 HZ1 LYS 27 HZ1 LYS 27 -22.594 6.095 -16.782 193 HZ2 LYS 27 HZ2 LYS 27 -23.016 7.642 -16.243 194 HZ3 LYS 27 HZ3 LYS 27 -24.133 6.375 -16.138 195 H GLU 28 H GLU 28 -21.632 4.595 -9.600 196 HA GLU 28 HA GLU 28 -18.866 5.228 -9.005 197 HB2 GLU 28 HB2 GLU 28 -21.514 5.896 -7.827 198 HB3 GLU 28 HB3 GLU 28 -20.125 5.921 -6.750 199 HG2 GLU 28 HG2 GLU 28 -19.075 7.627 -7.954 200 HG3 GLU 28 HG3 GLU 28 -20.112 7.392 -9.359 201 H HIS 29 H HIS 29 -20.717 2.521 -8.748 202 HA HIS 29 HA HIS 29 -20.656 0.614 -7.497 203 HB2 HIS 29 HB2 HIS 29 -17.817 1.585 -7.481 204 HB3 HIS 29 HB3 HIS 29 -18.256 0.135 -6.584 205 HD1 HIS 29 HD1 HIS 29 -17.932 -1.933 -7.880 206 HD2 HIS 29 HD2 HIS 29 -18.813 1.297 -10.341 207 HE1 HIS 29 HE1 HIS 29 -17.860 -2.836 -10.226 208 H LEU 30 H LEU 30 -21.806 2.636 -6.087 209 HA LEU 30 HA LEU 30 -20.576 2.780 -3.460 210 HB2 LEU 30 HB2 LEU 30 -23.219 3.868 -4.419 211 HB3 LEU 30 HB3 LEU 30 -22.430 4.245 -2.889 212 HG LEU 30 HG LEU 30 -21.538 5.050 -5.653 213 HD11 LEU 30 HD11 LEU 30 -22.808 6.822 -5.237 214 HD12 LEU 30 HD12 LEU 30 -21.686 7.241 -3.943 215 HD13 LEU 30 HD13 LEU 30 -23.126 6.287 -3.587 216 HD21 LEU 30 HD21 LEU 30 -20.063 4.863 -3.109 217 HD22 LEU 30 HD22 LEU 30 -19.889 6.381 -3.990 218 HD23 LEU 30 HD23 LEU 30 -19.472 4.855 -4.771 219 H LEU 31 H LEU 31 -22.690 2.754 -1.751 220 HA LEU 31 HA LEU 31 -23.181 -0.054 -1.471 221 HB2 LEU 31 HB2 LEU 31 -24.077 2.349 0.103 222 HB3 LEU 31 HB3 LEU 31 -24.520 0.697 0.531 223 HG LEU 31 HG LEU 31 -21.697 1.756 0.409 224 HD11 LEU 31 HD11 LEU 31 -22.039 1.227 2.979 225 HD12 LEU 31 HD12 LEU 31 -23.713 1.616 2.582 226 HD13 LEU 31 HD13 LEU 31 -22.439 2.800 2.289 227 HD21 LEU 31 HD21 LEU 31 -22.655 -0.863 0.300 228 HD22 LEU 31 HD22 LEU 31 -22.131 -0.627 1.967 229 HD23 LEU 31 HD23 LEU 31 -21.005 -0.342 0.639 230 H SER 32 H SER 32 -25.304 2.778 -1.888 231 HA SER 32 HA SER 32 -27.081 1.330 -3.598 232 HB2 SER 32 HB2 SER 32 -29.020 1.233 -2.212 233 HB3 SER 32 HB3 SER 32 -27.707 0.529 -1.269 234 HG SER 32 HG SER 32 -28.137 1.981 0.171 235 H GLY 33 H GLY 33 -29.323 2.797 -3.549 236 HA2 GLY 33 HA2 GLY 33 -28.829 5.608 -3.266 237 HA3 GLY 33 HA3 GLY 33 -28.761 5.086 -4.943 238 H ARG 34 H ARG 34 -30.612 6.922 -4.318 239 HA ARG 34 HA ARG 34 -33.088 5.446 -4.728 240 HB2 ARG 34 HB2 ARG 34 -33.021 7.660 -2.688 241 HB3 ARG 34 HB3 ARG 34 -34.311 6.507 -3.002 242 HG2 ARG 34 HG2 ARG 34 -32.657 4.718 -2.236 243 HG3 ARG 34 HG3 ARG 34 -31.701 6.059 -1.601 244 HD2 ARG 34 HD2 ARG 34 -33.014 5.365 0.209 245 HD3 ARG 34 HD3 ARG 34 -33.840 6.791 -0.416 246 HE ARG 34 HE ARG 34 -35.639 5.472 -0.878 247 HH11 ARG 34 HH11 ARG 34 -32.819 3.447 -0.611 248 HH12 ARG 34 HH12 ARG 34 -33.707 1.967 -0.766 249 HH21 ARG 34 HH21 ARG 34 -36.818 3.530 -1.083 250 HH22 ARG 34 HH22 ARG 34 -35.981 2.015 -1.035 251 H CYS 35 H CYS 35 -34.439 6.433 -6.131 252 HA CYS 35 HA CYS 35 -33.493 8.843 -7.422 253 HB2 CYS 35 HB2 CYS 35 -36.062 7.440 -8.102 254 HB3 CYS 35 HB3 CYS 35 -34.982 8.342 -9.160 255 H ARG 36 H ARG 36 -35.175 10.526 -8.041 256 HA ARG 36 HA ARG 36 -37.129 10.983 -5.905 257 HB2 ARG 36 HB2 ARG 36 -34.781 12.214 -5.699 258 HB3 ARG 36 HB3 ARG 36 -35.535 13.320 -6.839 259 HG2 ARG 36 HG2 ARG 36 -36.660 14.300 -5.207 260 HG3 ARG 36 HG3 ARG 36 -37.363 12.758 -4.717 261 HD2 ARG 36 HD2 ARG 36 -34.668 13.817 -3.871 262 HD3 ARG 36 HD3 ARG 36 -36.130 13.821 -2.885 263 HE ARG 36 HE ARG 36 -34.370 11.617 -3.339 264 HH11 ARG 36 HH11 ARG 36 -37.672 12.496 -2.675 265 HH12 ARG 36 HH12 ARG 36 -38.060 10.985 -1.921 266 HH21 ARG 36 HH21 ARG 36 -34.868 9.623 -2.349 267 HH22 ARG 36 HH22 ARG 36 -36.463 9.352 -1.735 268 H ASP 37 H ASP 37 -38.315 13.202 -6.526 269 HA ASP 37 HA ASP 37 -39.497 12.677 -9.114 270 HB2 ASP 37 HB2 ASP 37 -40.165 14.632 -6.910 271 HB3 ASP 37 HB3 ASP 37 -41.048 14.560 -8.433 272 H ASP 38 H ASP 38 -37.207 14.851 -7.746 273 HA ASP 38 HA ASP 38 -37.449 16.764 -9.930 274 HB2 ASP 38 HB2 ASP 38 -35.317 17.668 -8.592 275 HB3 ASP 38 HB3 ASP 38 -36.966 18.004 -8.073 276 H PHE 39 H PHE 39 -36.579 13.973 -10.381 277 HA PHE 39 HA PHE 39 -35.078 12.847 -11.666 278 HB2 PHE 39 HB2 PHE 39 -34.783 15.660 -12.503 279 HB3 PHE 39 HB3 PHE 39 -33.420 14.617 -12.898 280 HD1 PHE 39 HD2 PHE 39 -37.144 14.650 -13.104 281 HD2 PHE 39 HD1 PHE 39 -33.462 13.476 -14.889 282 HE1 PHE 39 HE2 PHE 39 -38.368 13.801 -15.061 283 HE2 PHE 39 HE1 PHE 39 -34.681 12.626 -16.851 284 HZ PHE 39 HZ PHE 39 -37.137 12.786 -16.938 285 H ARG 40 H ARG 40 -34.393 14.043 -8.892 286 HA ARG 40 HA ARG 40 -31.472 13.889 -9.030 287 HB2 ARG 40 HB2 ARG 40 -33.222 14.592 -6.668 288 HB3 ARG 40 HB3 ARG 40 -31.476 14.771 -6.771 289 HG2 ARG 40 HG2 ARG 40 -32.824 16.163 -8.919 290 HG3 ARG 40 HG3 ARG 40 -33.377 16.699 -7.332 291 HD2 ARG 40 HD2 ARG 40 -30.708 16.602 -6.921 292 HD3 ARG 40 HD3 ARG 40 -30.754 17.010 -8.636 293 HE ARG 40 HE ARG 40 -32.475 18.631 -6.992 294 HH11 ARG 40 HH11 ARG 40 -29.273 18.245 -8.303 295 HH12 ARG 40 HH12 ARG 40 -28.879 19.928 -8.182 296 HH21 ARG 40 HH21 ARG 40 -31.968 20.849 -6.827 297 HH22 ARG 40 HH22 ARG 40 -30.413 21.408 -7.341 298 H CYS 41 H CYS 41 -30.298 12.291 -8.083 299 HA CYS 41 HA CYS 41 -31.767 10.189 -6.642 300 HB2 CYS 41 HB2 CYS 41 -31.434 9.316 -8.850 301 HB3 CYS 41 HB3 CYS 41 -29.752 9.836 -8.863 302 H TRP 42 H TRP 42 -30.982 10.013 -4.660 303 HA TRP 42 HA TRP 42 -28.268 10.902 -4.083 304 HB2 TRP 42 HB2 TRP 42 -30.602 10.140 -2.329 305 HB3 TRP 42 HB3 TRP 42 -28.998 10.477 -1.683 306 HD1 TRP 42 HD1 TRP 42 -31.880 12.237 -3.544 307 HE1 TRP 42 HE1 TRP 42 -31.703 14.765 -3.094 308 HE3 TRP 42 HE3 TRP 42 -27.452 12.299 -0.988 309 HZ2 TRP 42 HZ2 TRP 42 -29.922 16.549 -1.825 310 HZ3 TRP 42 HZ3 TRP 42 -26.581 14.457 -0.191 311 HH2 TRP 42 HH2 TRP 42 -27.791 16.537 -0.602 312 H CYS 43 H CYS 43 -26.604 9.575 -3.747 313 HA CYS 43 HA CYS 43 -27.164 6.694 -3.508 314 HB2 CYS 43 HB2 CYS 43 -24.665 8.037 -4.558 315 HB3 CYS 43 HB3 CYS 43 -24.977 6.305 -4.522 316 H THR 44 H THR 44 -26.288 5.534 -1.868 317 HA THR 44 HA THR 44 -24.955 7.065 0.244 318 HB THR 44 HB THR 44 -26.166 4.297 0.379 319 HG1 THR 44 HG1 THR 44 -27.825 5.754 0.133 320 HG21 THR 44 HG21 THR 44 -24.636 5.953 2.269 321 HG22 THR 44 HG22 THR 44 -24.877 4.207 2.229 322 HG23 THR 44 HG23 THR 44 -26.118 5.253 2.919 323 H ARG 45 H ARG 45 -22.881 6.766 0.763 324 HA ARG 45 HA ARG 45 -21.528 4.315 -0.111 325 HB2 ARG 45 HB2 ARG 45 -19.640 5.548 -0.979 326 HB3 ARG 45 HB3 ARG 45 -21.102 6.092 -1.789 327 HG2 ARG 45 HG2 ARG 45 -21.171 8.059 -0.329 328 HG3 ARG 45 HG3 ARG 45 -19.686 7.515 0.455 329 HD2 ARG 45 HD2 ARG 45 -19.946 8.115 -2.488 330 HD3 ARG 45 HD3 ARG 45 -19.332 9.253 -1.290 331 HE ARG 45 HE ARG 45 -17.955 6.968 -2.389 332 HH11 ARG 45 HH11 ARG 45 -18.122 9.266 0.221 333 HH12 ARG 45 HH12 ARG 45 -16.461 9.071 0.673 334 HH21 ARG 45 HH21 ARG 45 -15.766 6.703 -1.804 335 HH22 ARG 45 HH22 ARG 45 -15.122 7.614 -0.480 336 H ASN 46 H ASN 46 -19.424 3.994 0.971 337 HA ASN 46 HA ASN 46 -19.664 4.417 3.769 338 HB2 ASN 46 HB2 ASN 46 -17.208 3.490 2.270 339 HB3 ASN 46 HB3 ASN 46 -17.595 3.199 3.963 340 HD21 ASN 46 HD21 ASN 46 -18.284 2.338 0.673 341 HD22 ASN 46 HD22 ASN 46 -19.174 0.899 1.022 342 H CYS 47 H CYS 47 -18.724 5.874 5.096 343 HA CYS 47 HA CYS 47 -16.522 7.520 4.242 344 HB2 CYS 47 HB2 CYS 47 -17.584 9.614 4.182 345 HB3 CYS 47 HB3 CYS 47 -18.667 8.563 3.275 Start of MODEL 14 1 H1 LYS 1 H LYS 1 -19.685 3.837 9.491 2 HA LYS 1 HA LYS 1 -22.369 4.898 9.305 3 HB2 LYS 1 HB2 LYS 1 -20.500 6.047 10.533 4 HB3 LYS 1 HB3 LYS 1 -19.747 6.364 8.975 5 HG2 LYS 1 HG2 LYS 1 -20.990 8.296 9.824 6 HG3 LYS 1 HG3 LYS 1 -21.640 7.704 8.293 7 HD2 LYS 1 HD2 LYS 1 -23.623 7.208 9.208 8 HD3 LYS 1 HD3 LYS 1 -22.877 6.458 10.622 9 HE2 LYS 1 HE2 LYS 1 -22.818 8.437 11.803 10 HE3 LYS 1 HE3 LYS 1 -22.831 9.429 10.346 11 HZ1 LYS 1 HZ1 LYS 1 -25.106 9.143 10.078 12 HZ2 LYS 1 HZ2 LYS 1 -24.940 9.338 11.750 13 HZ3 LYS 1 HZ3 LYS 1 -25.172 7.794 11.098 14 H THR 2 H THR 2 -23.004 6.357 7.547 15 HA THR 2 HA THR 2 -21.664 5.920 4.992 16 HB THR 2 HB THR 2 -23.978 5.482 3.952 17 HG1 THR 2 HG1 THR 2 -24.525 4.519 6.574 18 HG21 THR 2 HG21 THR 2 -22.389 3.746 3.848 19 HG22 THR 2 HG22 THR 2 -23.817 3.008 4.574 20 HG23 THR 2 HG23 THR 2 -22.452 3.472 5.589 21 H CYS 3 H CYS 3 -22.178 7.462 3.394 22 HA CYS 3 HA CYS 3 -23.688 9.794 4.380 23 HB2 CYS 3 HB2 CYS 3 -21.087 9.679 2.862 24 HB3 CYS 3 HB3 CYS 3 -22.084 11.130 2.888 25 H GLU 4 H GLU 4 -24.586 11.178 2.674 26 HA GLU 4 HA GLU 4 -25.255 9.635 0.253 27 HB2 GLU 4 HB2 GLU 4 -27.059 10.147 2.128 28 HB3 GLU 4 HB3 GLU 4 -27.132 11.700 1.306 29 HG2 GLU 4 HG2 GLU 4 -28.640 10.738 -0.013 30 HG3 GLU 4 HG3 GLU 4 -27.269 9.938 -0.778 31 H ASN 5 H ASN 5 -25.043 10.630 -1.675 32 HA ASN 5 HA ASN 5 -24.716 13.529 -1.778 33 HB2 ASN 5 HB2 ASN 5 -22.646 13.400 -3.047 34 HB3 ASN 5 HB3 ASN 5 -22.438 12.591 -1.496 35 HD21 ASN 5 HD21 ASN 5 -22.241 10.355 -1.431 36 HD22 ASN 5 HD22 ASN 5 -21.878 9.425 -2.841 37 H LEU 6 H LEU 6 -24.987 14.422 -3.889 38 HA LEU 6 HA LEU 6 -26.966 13.115 -5.429 39 HB2 LEU 6 HB2 LEU 6 -25.328 15.595 -5.814 40 HB3 LEU 6 HB3 LEU 6 -26.414 15.019 -7.077 41 HG LEU 6 HG LEU 6 -27.217 15.839 -4.286 42 HD11 LEU 6 HD11 LEU 6 -26.706 17.371 -6.609 43 HD12 LEU 6 HD12 LEU 6 -27.377 17.904 -5.068 44 HD13 LEU 6 HD13 LEU 6 -28.451 17.349 -6.353 45 HD21 LEU 6 HD21 LEU 6 -28.698 14.126 -4.999 46 HD22 LEU 6 HD22 LEU 6 -28.804 14.802 -6.624 47 HD23 LEU 6 HD23 LEU 6 -29.527 15.660 -5.263 48 H SER 7 H SER 7 -26.844 11.880 -7.211 49 HA SER 7 HA SER 7 -24.432 10.626 -7.922 50 HB2 SER 7 HB2 SER 7 -26.751 9.691 -8.247 51 HB3 SER 7 HB3 SER 7 -26.926 10.775 -9.627 52 HG SER 7 HG SER 7 -24.793 8.929 -9.387 53 H ASP 8 H ASP 8 -23.987 10.497 -10.484 54 HA ASP 8 HA ASP 8 -22.883 13.068 -11.135 55 HB2 ASP 8 HB2 ASP 8 -22.216 11.754 -13.285 56 HB3 ASP 8 HB3 ASP 8 -21.459 11.336 -11.750 57 H SER 9 H SER 9 -24.935 10.860 -13.046 58 HA SER 9 HA SER 9 -26.697 13.023 -13.787 59 HB2 SER 9 HB2 SER 9 -26.281 12.982 -16.149 60 HB3 SER 9 HB3 SER 9 -24.726 13.223 -15.352 61 HG SER 9 HG SER 9 -24.093 11.505 -16.359 62 H PHE 10 H PHE 10 -27.514 10.972 -12.387 63 HA PHE 10 HA PHE 10 -28.321 8.713 -13.952 64 HB2 PHE 10 HB2 PHE 10 -27.991 8.311 -11.634 65 HB3 PHE 10 HB3 PHE 10 -29.020 9.665 -11.177 66 HD1 PHE 10 HD2 PHE 10 -28.953 6.211 -12.391 67 HD2 PHE 10 HD1 PHE 10 -31.412 9.456 -11.150 68 HE1 PHE 10 HE2 PHE 10 -30.874 4.684 -12.214 69 HE2 PHE 10 HE1 PHE 10 -33.337 7.934 -10.971 70 HZ PHE 10 HZ PHE 10 -33.070 5.545 -11.504 71 H LYS 11 H LYS 11 -29.874 8.776 -15.422 72 HA LYS 11 HA LYS 11 -32.285 10.365 -14.861 73 HB2 LYS 11 HB2 LYS 11 -30.517 10.422 -17.248 74 HB3 LYS 11 HB3 LYS 11 -32.250 10.502 -17.538 75 HG2 LYS 11 HG2 LYS 11 -31.336 12.726 -17.421 76 HG3 LYS 11 HG3 LYS 11 -32.391 12.444 -16.034 77 HD2 LYS 11 HD2 LYS 11 -30.698 12.614 -14.556 78 HD3 LYS 11 HD3 LYS 11 -29.566 11.755 -15.604 79 HE2 LYS 11 HE2 LYS 11 -28.599 13.754 -15.885 80 HE3 LYS 11 HE3 LYS 11 -29.950 14.095 -16.965 81 HZ1 LYS 11 HZ1 LYS 11 -30.632 15.679 -15.601 82 HZ2 LYS 11 HZ2 LYS 11 -29.278 15.421 -14.621 83 HZ3 LYS 11 HZ3 LYS 11 -30.721 14.599 -14.302 84 H GLY 12 H GLY 12 -33.991 9.712 -16.707 85 HA2 GLY 12 HA2 GLY 12 -35.202 8.031 -17.759 86 HA3 GLY 12 HA3 GLY 12 -33.899 6.907 -17.401 87 HA PRO 13 HA PRO 13 -37.645 6.258 -14.584 88 HB2 PRO 13 HB2 PRO 13 -38.388 3.834 -15.557 89 HB3 PRO 13 HB3 PRO 13 -39.016 5.359 -16.194 90 HG2 PRO 13 HG2 PRO 13 -36.832 3.614 -17.265 91 HG3 PRO 13 HG3 PRO 13 -38.136 4.437 -18.140 92 HD2 PRO 13 HD2 PRO 13 -35.611 5.409 -18.039 93 HD3 PRO 13 HD3 PRO 13 -37.037 6.463 -18.128 94 H CYS 14 H CYS 14 -36.933 5.592 -12.665 95 HA CYS 14 HA CYS 14 -34.663 4.004 -12.253 96 HB2 CYS 14 HB2 CYS 14 -36.939 4.393 -10.302 97 HB3 CYS 14 HB3 CYS 14 -35.264 4.007 -9.919 98 H ILE 15 H ILE 15 -37.949 3.156 -12.869 99 HA ILE 15 HA ILE 15 -39.093 1.171 -12.839 100 HB ILE 15 HB ILE 15 -37.849 -0.720 -13.888 101 HG12 ILE 15 HG12 ILE 15 -35.545 1.240 -13.923 102 HG13 ILE 15 HG13 ILE 15 -35.638 -0.184 -12.893 103 HG21 ILE 15 HG21 ILE 15 -38.998 0.996 -15.220 104 HG22 ILE 15 HG22 ILE 15 -37.509 1.937 -15.271 105 HG23 ILE 15 HG23 ILE 15 -37.578 0.354 -16.046 106 HD11 ILE 15 HD11 ILE 15 -35.218 0.001 -15.836 107 HD12 ILE 15 HD12 ILE 15 -34.329 -0.924 -14.626 108 HD13 ILE 15 HD13 ILE 15 -35.930 -1.454 -15.139 109 HA PRO 16 HA PRO 16 -38.527 -1.132 -9.146 110 HB2 PRO 16 HB2 PRO 16 -39.603 -3.534 -9.809 111 HB3 PRO 16 HB3 PRO 16 -40.579 -2.083 -9.549 112 HG2 PRO 16 HG2 PRO 16 -39.653 -3.307 -12.119 113 HG3 PRO 16 HG3 PRO 16 -41.242 -2.635 -11.708 114 HD2 PRO 16 HD2 PRO 16 -39.407 -1.259 -13.147 115 HD3 PRO 16 HD3 PRO 16 -40.552 -0.463 -12.048 116 H ASP 17 H ASP 17 -36.898 -1.965 -11.987 117 HA ASP 17 HA ASP 17 -35.630 -4.367 -11.144 118 HB2 ASP 17 HB2 ASP 17 -34.643 -2.362 -13.182 119 HB3 ASP 17 HB3 ASP 17 -34.160 -4.050 -13.044 120 H GLY 18 H GLY 18 -35.070 -1.007 -10.538 121 HA2 GLY 18 HA2 GLY 18 -33.304 -1.423 -8.426 122 HA3 GLY 18 HA3 GLY 18 -32.323 -1.144 -9.857 123 H ASN 19 H ASN 19 -33.703 0.327 -7.261 124 HA ASN 19 HA ASN 19 -34.451 2.816 -8.510 125 HB2 ASN 19 HB2 ASN 19 -34.447 3.559 -6.009 126 HB3 ASN 19 HB3 ASN 19 -35.684 2.439 -6.573 127 HD21 ASN 19 HD21 ASN 19 -32.611 2.675 -4.891 128 HD22 ASN 19 HD22 ASN 19 -32.784 1.215 -3.984 129 H CYS 20 H CYS 20 -32.299 2.956 -9.615 130 HA CYS 20 HA CYS 20 -30.328 4.058 -9.897 131 HB2 CYS 20 HB2 CYS 20 -31.644 5.816 -8.552 132 HB3 CYS 20 HB3 CYS 20 -30.684 5.291 -7.173 133 H ASN 21 H ASN 21 -30.722 1.567 -8.065 134 HA ASN 21 HA ASN 21 -28.417 1.622 -6.354 135 HB2 ASN 21 HB2 ASN 21 -30.395 0.256 -5.809 136 HB3 ASN 21 HB3 ASN 21 -30.116 -0.717 -7.250 137 HD21 ASN 21 HD21 ASN 21 -29.756 -2.632 -6.251 138 HD22 ASN 21 HD22 ASN 21 -28.404 -2.941 -5.220 139 H LYS 22 H LYS 22 -29.198 -0.586 -9.042 140 HA LYS 22 HA LYS 22 -26.664 -1.575 -9.468 141 HB2 LYS 22 HB2 LYS 22 -27.409 -2.271 -11.641 142 HB3 LYS 22 HB3 LYS 22 -28.769 -2.402 -10.533 143 HG2 LYS 22 HG2 LYS 22 -29.862 -1.372 -12.206 144 HG3 LYS 22 HG3 LYS 22 -29.186 0.080 -11.463 145 HD2 LYS 22 HD2 LYS 22 -28.410 0.490 -13.536 146 HD3 LYS 22 HD3 LYS 22 -27.149 -0.663 -13.094 147 HE2 LYS 22 HE2 LYS 22 -27.954 -2.266 -14.467 148 HE3 LYS 22 HE3 LYS 22 -29.635 -1.832 -14.160 149 HZ1 LYS 22 HZ1 LYS 22 -29.639 -0.293 -15.823 150 HZ2 LYS 22 HZ2 LYS 22 -28.533 -1.394 -16.474 151 HZ3 LYS 22 HZ3 LYS 22 -27.979 0.015 -15.720 152 H HIS 23 H HIS 23 -28.037 1.465 -10.520 153 HA HIS 23 HA HIS 23 -26.074 2.145 -12.431 154 HB2 HIS 23 HB2 HIS 23 -28.415 3.236 -11.801 155 HB3 HIS 23 HB3 HIS 23 -27.392 4.283 -10.822 156 HD1 HIS 23 HD1 HIS 23 -28.077 3.347 -14.398 157 HD2 HIS 23 HD2 HIS 23 -25.926 6.163 -12.230 158 HE1 HIS 23 HE1 HIS 23 -27.306 5.047 -16.083 159 H CYS 24 H CYS 24 -26.488 3.520 -9.163 160 HA CYS 24 HA CYS 24 -23.944 4.705 -9.065 161 HB2 CYS 24 HB2 CYS 24 -25.886 3.898 -6.902 162 HB3 CYS 24 HB3 CYS 24 -24.370 4.721 -6.549 163 H LYS 25 H LYS 25 -24.909 1.455 -8.717 164 HA LYS 25 HA LYS 25 -22.573 0.681 -7.167 165 HB2 LYS 25 HB2 LYS 25 -24.946 -0.810 -8.261 166 HB3 LYS 25 HB3 LYS 25 -23.549 -1.663 -7.617 167 HG2 LYS 25 HG2 LYS 25 -23.895 -0.237 -5.514 168 HG3 LYS 25 HG3 LYS 25 -25.491 0.109 -6.185 169 HD2 LYS 25 HD2 LYS 25 -25.816 -1.740 -4.772 170 HD3 LYS 25 HD3 LYS 25 -25.763 -2.418 -6.401 171 HE2 LYS 25 HE2 LYS 25 -23.239 -2.734 -5.924 172 HE3 LYS 25 HE3 LYS 25 -23.698 -2.533 -4.233 173 HZ1 LYS 25 HZ1 LYS 25 -23.644 -4.868 -4.933 174 HZ2 LYS 25 HZ2 LYS 25 -24.855 -4.557 -6.072 175 HZ3 LYS 25 HZ3 LYS 25 -25.186 -4.396 -4.421 176 H GLU 26 H GLU 26 -23.602 0.864 -10.458 177 HA GLU 26 HA GLU 26 -21.410 -0.846 -11.364 178 HB2 GLU 26 HB2 GLU 26 -23.816 0.348 -12.708 179 HB3 GLU 26 HB3 GLU 26 -22.468 -0.258 -13.660 180 HG2 GLU 26 HG2 GLU 26 -22.729 -2.456 -12.591 181 HG3 GLU 26 HG3 GLU 26 -24.120 -1.838 -11.703 182 H LYS 27 H LYS 27 -22.185 2.445 -10.905 183 HA LYS 27 HA LYS 27 -20.057 3.323 -12.726 184 HB2 LYS 27 HB2 LYS 27 -22.114 4.975 -11.248 185 HB3 LYS 27 HB3 LYS 27 -20.966 5.574 -12.438 186 HG2 LYS 27 HG2 LYS 27 -22.145 3.724 -13.935 187 HG3 LYS 27 HG3 LYS 27 -23.472 4.042 -12.815 188 HD2 LYS 27 HD2 LYS 27 -23.953 5.951 -13.853 189 HD3 LYS 27 HD3 LYS 27 -22.291 6.517 -13.671 190 HE2 LYS 27 HE2 LYS 27 -22.506 6.494 -15.960 191 HE3 LYS 27 HE3 LYS 27 -21.830 4.893 -15.665 192 HZ1 LYS 27 HZ1 LYS 27 -24.217 4.105 -15.620 193 HZ2 LYS 27 HZ2 LYS 27 -23.607 4.564 -17.129 194 HZ3 LYS 27 HZ3 LYS 27 -24.635 5.606 -16.280 195 H GLU 28 H GLU 28 -21.221 4.576 -9.604 196 HA GLU 28 HA GLU 28 -18.510 5.209 -8.826 197 HB2 GLU 28 HB2 GLU 28 -21.228 5.745 -7.702 198 HB3 GLU 28 HB3 GLU 28 -19.827 5.894 -6.651 199 HG2 GLU 28 HG2 GLU 28 -19.100 7.772 -7.653 200 HG3 GLU 28 HG3 GLU 28 -19.624 7.252 -9.253 201 H HIS 29 H HIS 29 -20.446 2.504 -8.633 202 HA HIS 29 HA HIS 29 -20.400 0.573 -7.425 203 HB2 HIS 29 HB2 HIS 29 -17.559 1.332 -6.746 204 HB3 HIS 29 HB3 HIS 29 -18.240 -0.286 -6.883 205 HD1 HIS 29 HD1 HIS 29 -16.505 2.285 -8.797 206 HD2 HIS 29 HD2 HIS 29 -18.894 -1.009 -9.634 207 HE1 HIS 29 HE1 HIS 29 -16.119 1.776 -11.229 208 H LEU 30 H LEU 30 -21.572 2.600 -6.029 209 HA LEU 30 HA LEU 30 -20.426 2.673 -3.358 210 HB2 LEU 30 HB2 LEU 30 -22.979 3.876 -4.416 211 HB3 LEU 30 HB3 LEU 30 -22.272 4.180 -2.830 212 HG LEU 30 HG LEU 30 -21.207 5.043 -5.514 213 HD11 LEU 30 HD11 LEU 30 -22.902 6.249 -3.572 214 HD12 LEU 30 HD12 LEU 30 -22.303 6.919 -5.089 215 HD13 LEU 30 HD13 LEU 30 -21.370 7.122 -3.607 216 HD21 LEU 30 HD21 LEU 30 -19.565 6.230 -3.757 217 HD22 LEU 30 HD22 LEU 30 -19.196 4.694 -4.542 218 HD23 LEU 30 HD23 LEU 30 -19.858 4.713 -2.907 219 H LEU 31 H LEU 31 -22.563 2.673 -1.706 220 HA LEU 31 HA LEU 31 -23.150 -0.104 -1.464 221 HB2 LEU 31 HB2 LEU 31 -24.081 2.330 0.034 222 HB3 LEU 31 HB3 LEU 31 -24.626 0.703 0.433 223 HG LEU 31 HG LEU 31 -21.770 1.673 0.538 224 HD11 LEU 31 HD11 LEU 31 -23.147 0.796 2.979 225 HD12 LEU 31 HD12 LEU 31 -23.731 2.311 2.290 226 HD13 LEU 31 HD13 LEU 31 -22.029 2.136 2.719 227 HD21 LEU 31 HD21 LEU 31 -21.398 -0.485 1.715 228 HD22 LEU 31 HD22 LEU 31 -21.827 -0.666 0.014 229 HD23 LEU 31 HD23 LEU 31 -23.034 -0.965 1.265 230 H SER 32 H SER 32 -25.219 2.747 -2.015 231 HA SER 32 HA SER 32 -26.892 1.321 -3.840 232 HB2 SER 32 HB2 SER 32 -28.936 1.289 -2.565 233 HB3 SER 32 HB3 SER 32 -27.697 0.466 -1.618 234 HG SER 32 HG SER 32 -28.317 1.819 -0.126 235 H GLY 33 H GLY 33 -29.174 2.832 -3.769 236 HA2 GLY 33 HA2 GLY 33 -28.565 5.635 -3.546 237 HA3 GLY 33 HA3 GLY 33 -28.605 5.074 -5.210 238 H ARG 34 H ARG 34 -30.348 6.987 -4.592 239 HA ARG 34 HA ARG 34 -32.901 5.587 -4.758 240 HB2 ARG 34 HB2 ARG 34 -32.607 7.956 -2.919 241 HB3 ARG 34 HB3 ARG 34 -33.974 6.861 -3.069 242 HG2 ARG 34 HG2 ARG 34 -32.304 5.051 -2.279 243 HG3 ARG 34 HG3 ARG 34 -31.346 6.424 -1.721 244 HD2 ARG 34 HD2 ARG 34 -32.573 6.115 0.157 245 HD3 ARG 34 HD3 ARG 34 -33.718 7.131 -0.719 246 HE ARG 34 HE ARG 34 -34.259 4.500 -1.418 247 HH11 ARG 34 HH11 ARG 34 -34.310 6.487 1.440 248 HH12 ARG 34 HH12 ARG 34 -35.590 5.596 2.195 249 HH21 ARG 34 HH21 ARG 34 -35.944 3.318 -0.434 250 HH22 ARG 34 HH22 ARG 34 -36.518 3.793 1.128 251 H CYS 35 H CYS 35 -34.656 7.004 -5.525 252 HA CYS 35 HA CYS 35 -33.588 9.120 -7.273 253 HB2 CYS 35 HB2 CYS 35 -36.171 7.607 -7.665 254 HB3 CYS 35 HB3 CYS 35 -35.339 8.634 -8.828 255 H ARG 36 H ARG 36 -34.441 11.133 -7.214 256 HA ARG 36 HA ARG 36 -36.505 11.628 -5.179 257 HB2 ARG 36 HB2 ARG 36 -34.579 13.621 -6.381 258 HB3 ARG 36 HB3 ARG 36 -35.633 13.869 -4.995 259 HG2 ARG 36 HG2 ARG 36 -33.937 11.591 -4.562 260 HG3 ARG 36 HG3 ARG 36 -32.977 13.010 -4.986 261 HD2 ARG 36 HD2 ARG 36 -33.310 12.838 -2.568 262 HD3 ARG 36 HD3 ARG 36 -34.063 14.290 -3.225 263 HE ARG 36 HE ARG 36 -35.918 12.145 -3.098 264 HH11 ARG 36 HH11 ARG 36 -34.286 14.513 -1.136 265 HH12 ARG 36 HH12 ARG 36 -35.530 14.563 0.069 266 HH21 ARG 36 HH21 ARG 36 -37.562 12.201 -1.518 267 HH22 ARG 36 HH22 ARG 36 -37.392 13.247 -0.149 268 H ASP 37 H ASP 37 -37.919 13.559 -5.639 269 HA ASP 37 HA ASP 37 -39.176 13.180 -8.196 270 HB2 ASP 37 HB2 ASP 37 -40.413 13.569 -6.032 271 HB3 ASP 37 HB3 ASP 37 -39.861 15.241 -6.095 272 H ASP 38 H ASP 38 -36.724 15.179 -7.025 273 HA ASP 38 HA ASP 38 -37.254 17.345 -8.902 274 HB2 ASP 38 HB2 ASP 38 -34.933 18.096 -7.879 275 HB3 ASP 38 HB3 ASP 38 -36.432 18.299 -6.976 276 H PHE 39 H PHE 39 -36.528 14.552 -9.720 277 HA PHE 39 HA PHE 39 -35.281 13.519 -11.316 278 HB2 PHE 39 HB2 PHE 39 -35.147 16.393 -12.049 279 HB3 PHE 39 HB3 PHE 39 -33.985 15.324 -12.827 280 HD1 PHE 39 HD1 PHE 39 -37.584 15.954 -12.307 281 HD2 PHE 39 HD2 PHE 39 -34.639 13.855 -14.551 282 HE1 PHE 39 HE1 PHE 39 -39.309 15.266 -13.921 283 HE2 PHE 39 HE2 PHE 39 -36.358 13.165 -16.169 284 HZ PHE 39 HZ PHE 39 -38.697 13.870 -15.856 285 H ARG 40 H ARG 40 -34.108 13.947 -8.736 286 HA ARG 40 HA ARG 40 -31.265 13.908 -9.498 287 HB2 ARG 40 HB2 ARG 40 -32.287 14.977 -6.868 288 HB3 ARG 40 HB3 ARG 40 -30.647 15.060 -7.497 289 HG2 ARG 40 HG2 ARG 40 -32.435 16.302 -9.349 290 HG3 ARG 40 HG3 ARG 40 -32.694 16.967 -7.735 291 HD2 ARG 40 HD2 ARG 40 -30.041 17.003 -7.742 292 HD3 ARG 40 HD3 ARG 40 -30.297 17.084 -9.485 293 HE ARG 40 HE ARG 40 -30.669 19.185 -7.625 294 HH11 ARG 40 HH11 ARG 40 -32.028 17.808 -10.519 295 HH12 ARG 40 HH12 ARG 40 -32.707 19.304 -11.069 296 HH21 ARG 40 HH21 ARG 40 -31.557 21.161 -8.338 297 HH22 ARG 40 HH22 ARG 40 -32.437 21.211 -9.828 298 H CYS 41 H CYS 41 -30.053 12.284 -8.657 299 HA CYS 41 HA CYS 41 -31.459 10.360 -6.924 300 HB2 CYS 41 HB2 CYS 41 -31.027 9.238 -8.938 301 HB3 CYS 41 HB3 CYS 41 -29.446 9.991 -9.125 302 H TRP 42 H TRP 42 -30.513 9.655 -5.073 303 HA TRP 42 HA TRP 42 -27.926 10.880 -4.372 304 HB2 TRP 42 HB2 TRP 42 -30.345 10.247 -2.690 305 HB3 TRP 42 HB3 TRP 42 -28.762 10.533 -1.971 306 HD1 TRP 42 HD1 TRP 42 -31.305 12.381 -4.241 307 HE1 TRP 42 HE1 TRP 42 -31.096 14.903 -3.773 308 HE3 TRP 42 HE3 TRP 42 -27.390 12.276 -0.956 309 HZ2 TRP 42 HZ2 TRP 42 -29.485 16.621 -2.218 310 HZ3 TRP 42 HZ3 TRP 42 -26.574 14.402 -0.024 311 HH2 TRP 42 HH2 TRP 42 -27.601 16.529 -0.644 312 H CYS 43 H CYS 43 -26.293 9.504 -4.230 313 HA CYS 43 HA CYS 43 -26.848 6.657 -3.841 314 HB2 CYS 43 HB2 CYS 43 -24.189 7.904 -4.533 315 HB3 CYS 43 HB3 CYS 43 -24.688 6.230 -4.751 316 H THR 44 H THR 44 -26.122 5.500 -2.125 317 HA THR 44 HA THR 44 -24.998 7.041 0.101 318 HB THR 44 HB THR 44 -26.320 4.321 0.091 319 HG1 THR 44 HG1 THR 44 -27.986 5.498 1.190 320 HG21 THR 44 HG21 THR 44 -26.261 5.404 2.680 321 HG22 THR 44 HG22 THR 44 -24.631 5.602 2.037 322 HG23 THR 44 HG23 THR 44 -25.372 4.003 2.084 323 H ARG 45 H ARG 45 -23.008 6.682 0.878 324 HA ARG 45 HA ARG 45 -21.595 4.232 0.100 325 HB2 ARG 45 HB2 ARG 45 -19.617 5.438 -0.541 326 HB3 ARG 45 HB3 ARG 45 -20.974 6.073 -1.462 327 HG2 ARG 45 HG2 ARG 45 -21.118 7.977 0.069 328 HG3 ARG 45 HG3 ARG 45 -19.743 7.342 0.975 329 HD2 ARG 45 HD2 ARG 45 -19.648 8.028 -1.956 330 HD3 ARG 45 HD3 ARG 45 -19.191 9.149 -0.674 331 HE ARG 45 HE ARG 45 -17.827 6.612 -0.581 332 HH11 ARG 45 HH11 ARG 45 -17.805 9.857 -1.842 333 HH12 ARG 45 HH12 ARG 45 -16.093 9.884 -2.101 334 HH21 ARG 45 HH21 ARG 45 -15.571 6.635 -0.918 335 HH22 ARG 45 HH22 ARG 45 -14.823 8.051 -1.577 336 H ASN 46 H ASN 46 -19.505 4.006 1.358 337 HA ASN 46 HA ASN 46 -20.094 4.302 4.141 338 HB2 ASN 46 HB2 ASN 46 -17.483 3.413 2.905 339 HB3 ASN 46 HB3 ASN 46 -18.068 3.066 4.530 340 HD21 ASN 46 HD21 ASN 46 -18.286 2.273 1.173 341 HD22 ASN 46 HD22 ASN 46 -19.237 0.842 1.357 342 H CYS 47 H CYS 47 -19.287 5.713 5.604 343 HA CYS 47 HA CYS 47 -17.017 7.385 5.020 344 HB2 CYS 47 HB2 CYS 47 -18.081 9.482 4.938 345 HB3 CYS 47 HB3 CYS 47 -19.047 8.463 3.876 Start of MODEL 15 1 H1 LYS 1 H LYS 1 -20.029 3.249 8.580 2 HA LYS 1 HA LYS 1 -22.384 4.816 9.254 3 HB2 LYS 1 HB2 LYS 1 -20.410 5.900 10.389 4 HB3 LYS 1 HB3 LYS 1 -19.731 6.184 8.791 5 HG2 LYS 1 HG2 LYS 1 -20.862 8.161 9.683 6 HG3 LYS 1 HG3 LYS 1 -21.620 7.577 8.200 7 HD2 LYS 1 HD2 LYS 1 -23.417 6.587 9.421 8 HD3 LYS 1 HD3 LYS 1 -22.604 6.876 10.961 9 HE2 LYS 1 HE2 LYS 1 -22.950 9.308 9.409 10 HE3 LYS 1 HE3 LYS 1 -24.483 8.511 9.759 11 HZ1 LYS 1 HZ1 LYS 1 -23.185 8.392 12.126 12 HZ2 LYS 1 HZ2 LYS 1 -24.341 9.555 11.709 13 HZ3 LYS 1 HZ3 LYS 1 -22.694 9.898 11.531 14 H THR 2 H THR 2 -23.016 6.285 7.497 15 HA THR 2 HA THR 2 -21.795 5.743 4.901 16 HB THR 2 HB THR 2 -24.176 5.410 3.963 17 HG1 THR 2 HG1 THR 2 -25.273 5.875 5.937 18 HG21 THR 2 HG21 THR 2 -22.675 3.340 5.549 19 HG22 THR 2 HG22 THR 2 -22.662 3.609 3.806 20 HG23 THR 2 HG23 THR 2 -24.095 2.938 4.584 21 H CYS 3 H CYS 3 -22.270 7.292 3.308 22 HA CYS 3 HA CYS 3 -23.608 9.717 4.316 23 HB2 CYS 3 HB2 CYS 3 -21.107 9.403 2.672 24 HB3 CYS 3 HB3 CYS 3 -22.026 10.905 2.660 25 H GLU 4 H GLU 4 -24.485 11.136 2.601 26 HA GLU 4 HA GLU 4 -25.439 9.566 0.297 27 HB2 GLU 4 HB2 GLU 4 -27.065 10.308 2.256 28 HB3 GLU 4 HB3 GLU 4 -27.061 11.827 1.370 29 HG2 GLU 4 HG2 GLU 4 -28.642 10.998 0.069 30 HG3 GLU 4 HG3 GLU 4 -27.458 9.854 -0.561 31 H ASN 5 H ASN 5 -25.157 10.425 -1.671 32 HA ASN 5 HA ASN 5 -24.649 13.292 -1.937 33 HB2 ASN 5 HB2 ASN 5 -22.669 12.905 -3.336 34 HB3 ASN 5 HB3 ASN 5 -22.431 12.265 -1.713 35 HD21 ASN 5 HD21 ASN 5 -22.604 9.986 -1.400 36 HD22 ASN 5 HD22 ASN 5 -22.281 8.902 -2.706 37 H LEU 6 H LEU 6 -25.040 14.126 -4.024 38 HA LEU 6 HA LEU 6 -27.132 12.857 -5.435 39 HB2 LEU 6 HB2 LEU 6 -25.412 15.249 -5.991 40 HB3 LEU 6 HB3 LEU 6 -26.608 14.690 -7.158 41 HG LEU 6 HG LEU 6 -27.159 15.659 -4.354 42 HD11 LEU 6 HD11 LEU 6 -28.364 16.981 -6.682 43 HD12 LEU 6 HD12 LEU 6 -26.617 17.170 -6.534 44 HD13 LEU 6 HD13 LEU 6 -27.672 17.669 -5.212 45 HD21 LEU 6 HD21 LEU 6 -28.977 14.557 -6.487 46 HD22 LEU 6 HD22 LEU 6 -29.549 15.505 -5.114 47 HD23 LEU 6 HD23 LEU 6 -28.745 13.958 -4.844 48 H SER 7 H SER 7 -27.154 11.600 -7.211 49 HA SER 7 HA SER 7 -24.919 10.127 -7.968 50 HB2 SER 7 HB2 SER 7 -27.355 9.542 -8.365 51 HB3 SER 7 HB3 SER 7 -27.308 10.635 -9.748 52 HG SER 7 HG SER 7 -26.148 9.230 -10.832 53 H ASP 8 H ASP 8 -24.296 9.993 -10.434 54 HA ASP 8 HA ASP 8 -22.918 12.431 -11.018 55 HB2 ASP 8 HB2 ASP 8 -22.325 11.078 -13.168 56 HB3 ASP 8 HB3 ASP 8 -21.680 10.556 -11.615 57 H SER 9 H SER 9 -25.159 10.509 -13.025 58 HA SER 9 HA SER 9 -26.595 12.889 -13.811 59 HB2 SER 9 HB2 SER 9 -26.124 12.772 -16.164 60 HB3 SER 9 HB3 SER 9 -24.576 12.820 -15.320 61 HG SER 9 HG SER 9 -25.526 10.944 -16.981 62 H PHE 10 H PHE 10 -27.694 10.940 -12.428 63 HA PHE 10 HA PHE 10 -28.844 8.917 -14.149 64 HB2 PHE 10 HB2 PHE 10 -28.231 8.448 -11.777 65 HB3 PHE 10 HB3 PHE 10 -29.498 9.559 -11.267 66 HD1 PHE 10 HD1 PHE 10 -28.815 6.333 -12.898 67 HD2 PHE 10 HD2 PHE 10 -31.784 8.914 -11.272 68 HE1 PHE 10 HE1 PHE 10 -30.449 4.494 -12.969 69 HE2 PHE 10 HE2 PHE 10 -33.421 7.079 -11.340 70 HZ PHE 10 HZ PHE 10 -32.755 4.865 -12.188 71 H LYS 11 H LYS 11 -30.355 9.576 -15.539 72 HA LYS 11 HA LYS 11 -32.534 11.268 -14.503 73 HB2 LYS 11 HB2 LYS 11 -30.948 11.476 -17.006 74 HB3 LYS 11 HB3 LYS 11 -32.671 11.811 -17.125 75 HG2 LYS 11 HG2 LYS 11 -31.292 13.827 -16.757 76 HG3 LYS 11 HG3 LYS 11 -32.503 13.566 -15.500 77 HD2 LYS 11 HD2 LYS 11 -30.945 13.112 -13.903 78 HD3 LYS 11 HD3 LYS 11 -29.814 12.399 -15.056 79 HE2 LYS 11 HE2 LYS 11 -30.409 15.341 -15.048 80 HE3 LYS 11 HE3 LYS 11 -29.192 14.645 -13.979 81 HZ1 LYS 11 HZ1 LYS 11 -28.663 15.504 -16.433 82 HZ2 LYS 11 HZ2 LYS 11 -29.014 13.887 -16.778 83 HZ3 LYS 11 HZ3 LYS 11 -27.786 14.269 -15.679 84 H GLY 12 H GLY 12 -32.496 8.433 -14.426 85 HA2 GLY 12 HA2 GLY 12 -34.210 7.581 -16.636 86 HA3 GLY 12 HA3 GLY 12 -33.509 6.540 -15.406 87 HA PRO 13 HA PRO 13 -38.046 7.643 -14.524 88 HB2 PRO 13 HB2 PRO 13 -39.143 5.233 -15.127 89 HB3 PRO 13 HB3 PRO 13 -38.970 6.533 -16.312 90 HG2 PRO 13 HG2 PRO 13 -37.245 4.125 -15.877 91 HG3 PRO 13 HG3 PRO 13 -37.811 4.836 -17.400 92 HD2 PRO 13 HD2 PRO 13 -35.316 5.256 -16.434 93 HD3 PRO 13 HD3 PRO 13 -36.190 6.476 -17.382 94 H CYS 14 H CYS 14 -35.624 5.532 -13.559 95 HA CYS 14 HA CYS 14 -35.172 4.451 -11.609 96 HB2 CYS 14 HB2 CYS 14 -36.056 6.571 -10.617 97 HB3 CYS 14 HB3 CYS 14 -37.646 5.821 -10.539 98 H ILE 15 H ILE 15 -36.064 2.712 -13.221 99 HA ILE 15 HA ILE 15 -38.546 1.513 -12.882 100 HB ILE 15 HB ILE 15 -37.348 -0.626 -13.599 101 HG12 ILE 15 HG12 ILE 15 -35.036 1.239 -14.111 102 HG13 ILE 15 HG13 ILE 15 -35.124 0.245 -12.662 103 HG21 ILE 15 HG21 ILE 15 -37.052 0.182 -15.885 104 HG22 ILE 15 HG22 ILE 15 -38.506 0.856 -15.152 105 HG23 ILE 15 HG23 ILE 15 -37.055 1.846 -15.301 106 HD11 ILE 15 HD11 ILE 15 -34.135 -1.360 -13.816 107 HD12 ILE 15 HD12 ILE 15 -35.612 -1.505 -14.769 108 HD13 ILE 15 HD13 ILE 15 -34.305 -0.460 -15.323 109 HA PRO 16 HA PRO 16 -38.514 -0.526 -8.996 110 HB2 PRO 16 HB2 PRO 16 -39.841 -2.826 -9.563 111 HB3 PRO 16 HB3 PRO 16 -40.640 -1.251 -9.480 112 HG2 PRO 16 HG2 PRO 16 -39.714 -2.781 -11.880 113 HG3 PRO 16 HG3 PRO 16 -41.228 -1.891 -11.637 114 HD2 PRO 16 HD2 PRO 16 -39.145 -0.868 -13.032 115 HD3 PRO 16 HD3 PRO 16 -40.248 0.147 -12.081 116 H ASP 17 H ASP 17 -37.591 -2.232 -7.788 117 HA ASP 17 HA ASP 17 -36.037 -3.811 -7.267 118 HB2 ASP 17 HB2 ASP 17 -36.103 -4.759 -10.123 119 HB3 ASP 17 HB3 ASP 17 -35.806 -5.696 -8.662 120 H GLY 18 H GLY 18 -35.205 -1.215 -8.160 121 HA2 GLY 18 HA2 GLY 18 -32.431 -1.837 -8.712 122 HA3 GLY 18 HA3 GLY 18 -33.243 -0.942 -9.988 123 H ASN 19 H ASN 19 -34.190 1.144 -9.423 124 HA ASN 19 HA ASN 19 -34.094 3.228 -8.516 125 HB2 ASN 19 HB2 ASN 19 -33.038 1.967 -5.986 126 HB3 ASN 19 HB3 ASN 19 -33.949 3.465 -6.153 127 HD21 ASN 19 HD21 ASN 19 -34.098 0.086 -5.758 128 HD22 ASN 19 HD22 ASN 19 -35.818 -0.070 -5.744 129 H CYS 20 H CYS 20 -32.308 3.472 -10.077 130 HA CYS 20 HA CYS 20 -30.104 3.845 -10.669 131 HB2 CYS 20 HB2 CYS 20 -29.183 5.712 -9.060 132 HB3 CYS 20 HB3 CYS 20 -30.552 6.042 -10.118 133 H ASN 21 H ASN 21 -30.311 1.504 -9.058 134 HA ASN 21 HA ASN 21 -28.195 1.602 -7.094 135 HB2 ASN 21 HB2 ASN 21 -30.027 0.132 -6.614 136 HB3 ASN 21 HB3 ASN 21 -29.879 -0.658 -8.182 137 HD21 ASN 21 HD21 ASN 21 -28.660 -2.417 -8.333 138 HD22 ASN 21 HD22 ASN 21 -27.595 -3.004 -7.105 139 H LYS 22 H LYS 22 -28.679 -0.452 -9.972 140 HA LYS 22 HA LYS 22 -26.081 -1.369 -10.203 141 HB2 LYS 22 HB2 LYS 22 -26.618 -1.998 -12.448 142 HB3 LYS 22 HB3 LYS 22 -28.076 -2.189 -11.484 143 HG2 LYS 22 HG2 LYS 22 -28.950 -0.096 -12.344 144 HG3 LYS 22 HG3 LYS 22 -27.467 0.160 -13.268 145 HD2 LYS 22 HD2 LYS 22 -28.973 -2.378 -13.669 146 HD3 LYS 22 HD3 LYS 22 -29.616 -0.895 -14.380 147 HE2 LYS 22 HE2 LYS 22 -27.455 -0.522 -15.496 148 HE3 LYS 22 HE3 LYS 22 -26.857 -2.035 -14.817 149 HZ1 LYS 22 HZ1 LYS 22 -27.853 -1.957 -17.207 150 HZ2 LYS 22 HZ2 LYS 22 -29.332 -2.071 -16.394 151 HZ3 LYS 22 HZ3 LYS 22 -28.164 -3.279 -16.198 152 H HIS 23 H HIS 23 -27.459 1.679 -11.220 153 HA HIS 23 HA HIS 23 -25.339 2.501 -12.908 154 HB2 HIS 23 HB2 HIS 23 -27.782 3.467 -12.516 155 HB3 HIS 23 HB3 HIS 23 -26.928 4.519 -11.391 156 HD1 HIS 23 HD1 HIS 23 -26.949 3.589 -15.058 157 HD2 HIS 23 HD2 HIS 23 -25.610 6.618 -12.549 158 HE1 HIS 23 HE1 HIS 23 -26.125 5.411 -16.583 159 H CYS 24 H CYS 24 -26.162 3.607 -9.614 160 HA CYS 24 HA CYS 24 -23.721 4.957 -9.201 161 HB2 CYS 24 HB2 CYS 24 -25.870 3.959 -7.345 162 HB3 CYS 24 HB3 CYS 24 -24.417 4.736 -6.726 163 H LYS 25 H LYS 25 -24.481 1.652 -9.194 164 HA LYS 25 HA LYS 25 -22.272 0.921 -7.435 165 HB2 LYS 25 HB2 LYS 25 -24.463 -0.628 -8.793 166 HB3 LYS 25 HB3 LYS 25 -23.076 -1.447 -8.086 167 HG2 LYS 25 HG2 LYS 25 -23.657 -0.158 -5.946 168 HG3 LYS 25 HG3 LYS 25 -25.214 0.144 -6.721 169 HD2 LYS 25 HD2 LYS 25 -25.741 -1.795 -5.661 170 HD3 LYS 25 HD3 LYS 25 -25.054 -2.488 -7.132 171 HE2 LYS 25 HE2 LYS 25 -22.817 -2.251 -5.691 172 HE3 LYS 25 HE3 LYS 25 -23.977 -2.415 -4.373 173 HZ1 LYS 25 HZ1 LYS 25 -24.608 -4.516 -5.087 174 HZ2 LYS 25 HZ2 LYS 25 -22.934 -4.523 -5.324 175 HZ3 LYS 25 HZ3 LYS 25 -23.973 -4.305 -6.641 176 H GLU 26 H GLU 26 -23.031 1.195 -10.796 177 HA GLU 26 HA GLU 26 -20.690 -0.362 -11.586 178 HB2 GLU 26 HB2 GLU 26 -23.006 0.833 -13.079 179 HB3 GLU 26 HB3 GLU 26 -21.557 0.323 -13.934 180 HG2 GLU 26 HG2 GLU 26 -21.836 -1.939 -13.031 181 HG3 GLU 26 HG3 GLU 26 -23.311 -1.420 -12.218 182 H LYS 27 H LYS 27 -21.631 2.869 -11.018 183 HA LYS 27 HA LYS 27 -19.367 3.917 -12.568 184 HB2 LYS 27 HB2 LYS 27 -21.641 5.416 -11.254 185 HB3 LYS 27 HB3 LYS 27 -20.396 6.116 -12.279 186 HG2 LYS 27 HG2 LYS 27 -21.322 4.303 -13.983 187 HG3 LYS 27 HG3 LYS 27 -22.776 4.512 -13.004 188 HD2 LYS 27 HD2 LYS 27 -23.172 6.564 -13.827 189 HD3 LYS 27 HD3 LYS 27 -21.469 7.024 -13.749 190 HE2 LYS 27 HE2 LYS 27 -21.388 5.240 -15.766 191 HE3 LYS 27 HE3 LYS 27 -23.027 5.859 -15.969 192 HZ1 LYS 27 HZ1 LYS 27 -22.281 7.847 -16.646 193 HZ2 LYS 27 HZ2 LYS 27 -20.850 7.016 -16.998 194 HZ3 LYS 27 HZ3 LYS 27 -20.993 7.876 -15.548 195 H GLU 28 H GLU 28 -20.914 4.957 -9.534 196 HA GLU 28 HA GLU 28 -18.331 5.659 -8.438 197 HB2 GLU 28 HB2 GLU 28 -21.175 6.064 -7.638 198 HB3 GLU 28 HB3 GLU 28 -19.943 6.145 -6.386 199 HG2 GLU 28 HG2 GLU 28 -18.781 7.890 -7.647 200 HG3 GLU 28 HG3 GLU 28 -20.032 7.817 -8.887 201 H HIS 29 H HIS 29 -20.213 2.891 -8.547 202 HA HIS 29 HA HIS 29 -20.214 0.907 -7.428 203 HB2 HIS 29 HB2 HIS 29 -17.422 1.926 -7.027 204 HB3 HIS 29 HB3 HIS 29 -17.926 0.423 -6.261 205 HD1 HIS 29 HD1 HIS 29 -17.730 1.949 -9.732 206 HD2 HIS 29 HD2 HIS 29 -17.740 -1.762 -7.865 207 HE1 HIS 29 HE1 HIS 29 -17.279 0.278 -11.556 208 H LEU 30 H LEU 30 -21.609 2.760 -6.058 209 HA LEU 30 HA LEU 30 -20.691 2.756 -3.290 210 HB2 LEU 30 HB2 LEU 30 -23.191 3.952 -4.473 211 HB3 LEU 30 HB3 LEU 30 -22.556 4.233 -2.853 212 HG LEU 30 HG LEU 30 -21.405 5.181 -5.472 213 HD11 LEU 30 HD11 LEU 30 -21.700 7.182 -3.472 214 HD12 LEU 30 HD12 LEU 30 -23.220 6.301 -3.615 215 HD13 LEU 30 HD13 LEU 30 -22.501 7.055 -5.038 216 HD21 LEU 30 HD21 LEU 30 -19.893 6.344 -3.531 217 HD22 LEU 30 HD22 LEU 30 -19.409 4.938 -4.480 218 HD23 LEU 30 HD23 LEU 30 -20.119 4.721 -2.879 219 H LEU 31 H LEU 31 -23.015 2.661 -1.877 220 HA LEU 31 HA LEU 31 -23.573 -0.151 -1.866 221 HB2 LEU 31 HB2 LEU 31 -24.664 2.138 -0.241 222 HB3 LEU 31 HB3 LEU 31 -25.105 0.452 0.021 223 HG LEU 31 HG LEU 31 -22.294 1.520 0.253 224 HD11 LEU 31 HD11 LEU 31 -24.454 1.952 1.992 225 HD12 LEU 31 HD12 LEU 31 -22.743 2.245 2.299 226 HD13 LEU 31 HD13 LEU 31 -23.463 0.696 2.734 227 HD21 LEU 31 HD21 LEU 31 -23.468 -1.059 1.272 228 HD22 LEU 31 HD22 LEU 31 -21.771 -0.579 1.244 229 HD23 LEU 31 HD23 LEU 31 -22.619 -0.913 -0.266 230 H SER 32 H SER 32 -25.612 2.747 -2.274 231 HA SER 32 HA SER 32 -27.168 1.504 -4.324 232 HB2 SER 32 HB2 SER 32 -29.232 1.214 -3.219 233 HB3 SER 32 HB3 SER 32 -28.046 0.518 -2.115 234 HG SER 32 HG SER 32 -28.446 2.049 -0.714 235 H GLY 33 H GLY 33 -29.425 2.995 -4.331 236 HA2 GLY 33 HA2 GLY 33 -28.836 5.772 -3.792 237 HA3 GLY 33 HA3 GLY 33 -28.799 5.356 -5.499 238 H ARG 34 H ARG 34 -30.650 6.929 -3.546 239 HA ARG 34 HA ARG 34 -33.179 5.629 -4.273 240 HB2 ARG 34 HB2 ARG 34 -32.802 7.961 -2.395 241 HB3 ARG 34 HB3 ARG 34 -34.223 6.939 -2.566 242 HG2 ARG 34 HG2 ARG 34 -32.519 5.047 -1.882 243 HG3 ARG 34 HG3 ARG 34 -31.661 6.413 -1.164 244 HD2 ARG 34 HD2 ARG 34 -34.355 6.742 -0.464 245 HD3 ARG 34 HD3 ARG 34 -34.006 5.030 -0.233 246 HE ARG 34 HE ARG 34 -31.959 6.627 0.898 247 HH11 ARG 34 HH11 ARG 34 -35.239 5.583 1.423 248 HH12 ARG 34 HH12 ARG 34 -35.147 5.728 3.147 249 HH21 ARG 34 HH21 ARG 34 -31.827 6.823 3.167 250 HH22 ARG 34 HH22 ARG 34 -33.206 6.435 4.138 251 H CYS 35 H CYS 35 -34.631 6.569 -5.613 252 HA CYS 35 HA CYS 35 -33.745 8.961 -7.038 253 HB2 CYS 35 HB2 CYS 35 -36.196 7.471 -7.846 254 HB3 CYS 35 HB3 CYS 35 -34.962 8.230 -8.846 255 H ARG 36 H ARG 36 -35.166 10.722 -7.450 256 HA ARG 36 HA ARG 36 -37.479 10.923 -5.650 257 HB2 ARG 36 HB2 ARG 36 -35.200 12.111 -4.949 258 HB3 ARG 36 HB3 ARG 36 -35.796 13.346 -6.049 259 HG2 ARG 36 HG2 ARG 36 -37.307 14.068 -4.584 260 HG3 ARG 36 HG3 ARG 36 -37.831 12.430 -4.190 261 HD2 ARG 36 HD2 ARG 36 -36.507 12.310 -2.376 262 HD3 ARG 36 HD3 ARG 36 -35.174 13.144 -3.175 263 HE ARG 36 HE ARG 36 -37.176 15.019 -2.674 264 HH11 ARG 36 HH11 ARG 36 -34.979 12.983 -0.899 265 HH12 ARG 36 HH12 ARG 36 -34.873 14.057 0.456 266 HH21 ARG 36 HH21 ARG 36 -37.045 16.441 -0.895 267 HH22 ARG 36 HH22 ARG 36 -36.049 16.023 0.458 268 H ASP 37 H ASP 37 -38.599 13.185 -6.195 269 HA ASP 37 HA ASP 37 -39.370 12.963 -8.967 270 HB2 ASP 37 HB2 ASP 37 -40.967 13.368 -7.033 271 HB3 ASP 37 HB3 ASP 37 -40.337 15.012 -6.972 272 H ASP 38 H ASP 38 -36.965 14.592 -7.361 273 HA ASP 38 HA ASP 38 -37.036 17.003 -8.976 274 HB2 ASP 38 HB2 ASP 38 -34.900 17.532 -7.765 275 HB3 ASP 38 HB3 ASP 38 -36.290 17.282 -6.712 276 H PHE 39 H PHE 39 -36.594 14.183 -10.052 277 HA PHE 39 HA PHE 39 -35.375 13.164 -11.680 278 HB2 PHE 39 HB2 PHE 39 -35.051 16.067 -12.215 279 HB3 PHE 39 HB3 PHE 39 -33.949 14.979 -13.054 280 HD1 PHE 39 HD2 PHE 39 -37.585 15.351 -12.316 281 HD2 PHE 39 HD1 PHE 39 -34.595 14.127 -15.086 282 HE1 PHE 39 HE2 PHE 39 -39.330 14.884 -13.987 283 HE2 PHE 39 HE1 PHE 39 -36.334 13.659 -16.762 284 HZ PHE 39 HZ PHE 39 -38.705 14.036 -16.213 285 H ARG 40 H ARG 40 -34.154 13.825 -8.978 286 HA ARG 40 HA ARG 40 -31.359 13.313 -9.753 287 HB2 ARG 40 HB2 ARG 40 -32.218 14.803 -7.271 288 HB3 ARG 40 HB3 ARG 40 -30.579 14.583 -7.869 289 HG2 ARG 40 HG2 ARG 40 -32.156 15.822 -9.900 290 HG3 ARG 40 HG3 ARG 40 -32.347 16.706 -8.384 291 HD2 ARG 40 HD2 ARG 40 -29.709 16.376 -8.321 292 HD3 ARG 40 HD3 ARG 40 -29.937 16.304 -10.068 293 HE ARG 40 HE ARG 40 -30.038 18.623 -8.446 294 HH11 ARG 40 HH11 ARG 40 -31.533 17.140 -11.218 295 HH12 ARG 40 HH12 ARG 40 -31.993 18.647 -11.940 296 HH21 ARG 40 HH21 ARG 40 -30.637 20.613 -9.386 297 HH22 ARG 40 HH22 ARG 40 -31.482 20.622 -10.897 298 H CYS 41 H CYS 41 -30.251 11.762 -8.598 299 HA CYS 41 HA CYS 41 -31.836 10.234 -6.639 300 HB2 CYS 41 HB2 CYS 41 -31.725 8.881 -8.589 301 HB3 CYS 41 HB3 CYS 41 -30.022 9.251 -8.837 302 H TRP 42 H TRP 42 -30.936 9.962 -4.703 303 HA TRP 42 HA TRP 42 -28.194 10.879 -4.304 304 HB2 TRP 42 HB2 TRP 42 -30.502 10.345 -2.447 305 HB3 TRP 42 HB3 TRP 42 -28.865 10.567 -1.835 306 HD1 TRP 42 HD1 TRP 42 -31.485 12.506 -3.931 307 HE1 TRP 42 HE1 TRP 42 -31.134 15.021 -3.509 308 HE3 TRP 42 HE3 TRP 42 -27.334 12.258 -0.957 309 HZ2 TRP 42 HZ2 TRP 42 -29.335 16.680 -2.103 310 HZ3 TRP 42 HZ3 TRP 42 -26.359 14.355 -0.116 311 HH2 TRP 42 HH2 TRP 42 -27.340 16.519 -0.678 312 H CYS 43 H CYS 43 -26.577 9.478 -4.262 313 HA CYS 43 HA CYS 43 -27.132 6.645 -3.839 314 HB2 CYS 43 HB2 CYS 43 -24.495 7.913 -4.587 315 HB3 CYS 43 HB3 CYS 43 -24.962 6.225 -4.763 316 H THR 44 H THR 44 -26.442 5.486 -2.122 317 HA THR 44 HA THR 44 -25.205 6.988 0.073 318 HB THR 44 HB THR 44 -26.699 4.359 0.088 319 HG1 THR 44 HG1 THR 44 -27.435 6.741 1.426 320 HG21 THR 44 HG21 THR 44 -24.992 5.675 2.105 321 HG22 THR 44 HG22 THR 44 -25.424 3.975 1.919 322 HG23 THR 44 HG23 THR 44 -26.553 5.094 2.683 323 H ARG 45 H ARG 45 -23.221 6.533 0.814 324 HA ARG 45 HA ARG 45 -21.950 4.009 0.027 325 HB2 ARG 45 HB2 ARG 45 -19.954 5.080 -0.716 326 HB3 ARG 45 HB3 ARG 45 -21.293 5.858 -1.549 327 HG2 ARG 45 HG2 ARG 45 -21.193 7.727 0.012 328 HG3 ARG 45 HG3 ARG 45 -19.865 6.943 0.869 329 HD2 ARG 45 HD2 ARG 45 -19.798 7.746 -2.036 330 HD3 ARG 45 HD3 ARG 45 -19.126 8.704 -0.717 331 HE ARG 45 HE ARG 45 -18.005 6.314 -1.883 332 HH11 ARG 45 HH11 ARG 45 -18.048 8.447 0.868 333 HH12 ARG 45 HH12 ARG 45 -16.472 7.984 1.417 334 HH21 ARG 45 HH21 ARG 45 -15.928 5.695 -1.170 335 HH22 ARG 45 HH22 ARG 45 -15.267 6.419 0.257 336 H ASN 46 H ASN 46 -19.837 3.700 1.238 337 HA ASN 46 HA ASN 46 -20.353 4.046 4.032 338 HB2 ASN 46 HB2 ASN 46 -17.822 3.010 2.742 339 HB3 ASN 46 HB3 ASN 46 -18.378 2.716 4.388 340 HD21 ASN 46 HD21 ASN 46 -18.769 1.915 1.040 341 HD22 ASN 46 HD22 ASN 46 -19.772 0.528 1.277 342 H CYS 47 H CYS 47 -19.462 5.442 5.454 343 HA CYS 47 HA CYS 47 -17.113 6.981 4.815 344 HB2 CYS 47 HB2 CYS 47 -18.059 9.125 4.693 345 HB3 CYS 47 HB3 CYS 47 -19.116 8.141 3.686 Start of MODEL 16 1 H1 LYS 1 H LYS 1 -19.863 3.819 9.224 2 HA LYS 1 HA LYS 1 -22.622 4.834 9.329 3 HB2 LYS 1 HB2 LYS 1 -20.829 6.069 10.594 4 HB3 LYS 1 HB3 LYS 1 -20.080 6.443 9.047 5 HG2 LYS 1 HG2 LYS 1 -21.435 8.295 9.893 6 HG3 LYS 1 HG3 LYS 1 -22.046 7.675 8.357 7 HD2 LYS 1 HD2 LYS 1 -23.967 6.913 9.280 8 HD3 LYS 1 HD3 LYS 1 -23.182 6.452 10.792 9 HE2 LYS 1 HE2 LYS 1 -23.086 9.287 10.546 10 HE3 LYS 1 HE3 LYS 1 -24.739 8.756 10.239 11 HZ1 LYS 1 HZ1 LYS 1 -23.175 7.865 12.593 12 HZ2 LYS 1 HZ2 LYS 1 -24.838 7.701 12.331 13 HZ3 LYS 1 HZ3 LYS 1 -24.174 9.231 12.619 14 H THR 2 H THR 2 -23.303 6.263 7.567 15 HA THR 2 HA THR 2 -21.893 5.916 5.035 16 HB THR 2 HB THR 2 -24.156 5.351 3.947 17 HG1 THR 2 HG1 THR 2 -24.665 4.669 6.667 18 HG21 THR 2 HG21 THR 2 -22.449 3.715 3.893 19 HG22 THR 2 HG22 THR 2 -23.870 2.892 4.537 20 HG23 THR 2 HG23 THR 2 -22.581 3.409 5.624 21 H CYS 3 H CYS 3 -22.455 7.439 3.440 22 HA CYS 3 HA CYS 3 -24.156 9.653 4.380 23 HB2 CYS 3 HB2 CYS 3 -21.483 9.777 2.984 24 HB3 CYS 3 HB3 CYS 3 -22.574 11.155 3.074 25 H GLU 4 H GLU 4 -25.130 10.948 2.692 26 HA GLU 4 HA GLU 4 -25.557 9.400 0.222 27 HB2 GLU 4 HB2 GLU 4 -27.470 9.932 1.981 28 HB3 GLU 4 HB3 GLU 4 -27.512 11.465 1.122 29 HG2 GLU 4 HG2 GLU 4 -28.838 10.520 -0.370 30 HG3 GLU 4 HG3 GLU 4 -27.480 9.512 -0.868 31 H ASN 5 H ASN 5 -25.194 10.343 -1.701 32 HA ASN 5 HA ASN 5 -24.745 13.247 -1.772 33 HB2 ASN 5 HB2 ASN 5 -22.836 12.843 -3.340 34 HB3 ASN 5 HB3 ASN 5 -22.542 12.271 -1.701 35 HD21 ASN 5 HD21 ASN 5 -22.582 11.471 -4.966 36 HD22 ASN 5 HD22 ASN 5 -22.360 9.765 -4.811 37 H LEU 6 H LEU 6 -25.312 14.281 -3.676 38 HA LEU 6 HA LEU 6 -27.373 13.080 -5.197 39 HB2 LEU 6 HB2 LEU 6 -25.920 15.661 -5.219 40 HB3 LEU 6 HB3 LEU 6 -26.765 15.204 -6.696 41 HG LEU 6 HG LEU 6 -28.011 15.539 -3.968 42 HD11 LEU 6 HD11 LEU 6 -27.309 17.447 -5.900 43 HD12 LEU 6 HD12 LEU 6 -28.335 17.670 -4.484 44 HD13 LEU 6 HD13 LEU 6 -29.054 17.229 -6.033 45 HD21 LEU 6 HD21 LEU 6 -29.171 14.751 -6.632 46 HD22 LEU 6 HD22 LEU 6 -30.142 15.327 -5.277 47 HD23 LEU 6 HD23 LEU 6 -29.207 13.839 -5.123 48 H SER 7 H SER 7 -27.403 12.813 -7.539 49 HA SER 7 HA SER 7 -24.827 12.386 -8.828 50 HB2 SER 7 HB2 SER 7 -25.813 10.243 -7.595 51 HB3 SER 7 HB3 SER 7 -26.771 10.136 -9.072 52 HG SER 7 HG SER 7 -24.755 10.234 -10.229 53 H ASP 8 H ASP 8 -24.932 13.271 -10.771 54 HA ASP 8 HA ASP 8 -27.541 13.714 -12.009 55 HB2 ASP 8 HB2 ASP 8 -26.024 15.051 -13.661 56 HB3 ASP 8 HB3 ASP 8 -26.351 15.708 -12.059 57 H SER 9 H SER 9 -25.472 11.259 -11.995 58 HA SER 9 HA SER 9 -25.189 10.779 -14.823 59 HB2 SER 9 HB2 SER 9 -24.126 8.701 -14.181 60 HB3 SER 9 HB3 SER 9 -23.519 9.989 -13.139 61 HG SER 9 HG SER 9 -25.473 9.166 -11.785 62 H PHE 10 H PHE 10 -27.514 10.106 -12.378 63 HA PHE 10 HA PHE 10 -28.767 7.946 -13.856 64 HB2 PHE 10 HB2 PHE 10 -28.635 8.180 -11.281 65 HB3 PHE 10 HB3 PHE 10 -29.961 9.323 -11.464 66 HD1 PHE 10 HD1 PHE 10 -29.000 5.876 -12.512 67 HD2 PHE 10 HD2 PHE 10 -32.111 8.529 -11.328 68 HE1 PHE 10 HE1 PHE 10 -30.600 4.007 -12.540 69 HE2 PHE 10 HE2 PHE 10 -33.716 6.664 -11.353 70 HZ PHE 10 HZ PHE 10 -32.961 4.399 -11.958 71 H LYS 11 H LYS 11 -30.678 8.056 -14.965 72 HA LYS 11 HA LYS 11 -32.006 10.666 -15.163 73 HB2 LYS 11 HB2 LYS 11 -30.677 9.137 -17.331 74 HB3 LYS 11 HB3 LYS 11 -32.237 9.852 -17.718 75 HG2 LYS 11 HG2 LYS 11 -30.551 11.396 -18.362 76 HG3 LYS 11 HG3 LYS 11 -31.344 12.043 -16.924 77 HD2 LYS 11 HD2 LYS 11 -29.444 12.003 -15.751 78 HD3 LYS 11 HD3 LYS 11 -29.082 10.351 -16.257 79 HE2 LYS 11 HE2 LYS 11 -27.310 11.641 -17.095 80 HE3 LYS 11 HE3 LYS 11 -28.365 11.367 -18.481 81 HZ1 LYS 11 HZ1 LYS 11 -28.623 13.539 -18.725 82 HZ2 LYS 11 HZ2 LYS 11 -27.482 13.797 -17.503 83 HZ3 LYS 11 HZ3 LYS 11 -29.129 13.726 -17.121 84 H GLY 12 H GLY 12 -34.113 10.417 -16.477 85 HA2 GLY 12 HA2 GLY 12 -36.193 9.465 -16.673 86 HA3 GLY 12 HA3 GLY 12 -35.381 7.906 -16.679 87 HA PRO 13 HA PRO 13 -37.831 8.735 -12.677 88 HB2 PRO 13 HB2 PRO 13 -39.976 7.151 -13.186 89 HB3 PRO 13 HB3 PRO 13 -39.928 8.867 -13.606 90 HG2 PRO 13 HG2 PRO 13 -39.451 6.477 -15.344 91 HG3 PRO 13 HG3 PRO 13 -40.374 7.950 -15.696 92 HD2 PRO 13 HD2 PRO 13 -37.853 7.559 -16.603 93 HD3 PRO 13 HD3 PRO 13 -38.481 9.168 -16.193 94 H CYS 14 H CYS 14 -37.784 7.319 -10.960 95 HA CYS 14 HA CYS 14 -36.066 5.158 -11.005 96 HB2 CYS 14 HB2 CYS 14 -37.209 6.503 -9.025 97 HB3 CYS 14 HB3 CYS 14 -38.313 5.132 -9.041 98 H ILE 15 H ILE 15 -36.222 3.040 -11.461 99 HA ILE 15 HA ILE 15 -38.873 2.016 -12.243 100 HB ILE 15 HB ILE 15 -37.490 0.344 -13.617 101 HG12 ILE 15 HG12 ILE 15 -35.418 2.530 -13.518 102 HG13 ILE 15 HG13 ILE 15 -35.336 1.128 -12.456 103 HG21 ILE 15 HG21 ILE 15 -37.173 3.080 -14.733 104 HG22 ILE 15 HG22 ILE 15 -37.824 1.622 -15.480 105 HG23 ILE 15 HG23 ILE 15 -38.795 2.527 -14.319 106 HD11 ILE 15 HD11 ILE 15 -33.967 0.554 -14.230 107 HD12 ILE 15 HD12 ILE 15 -35.489 -0.247 -14.622 108 HD13 ILE 15 HD13 ILE 15 -35.053 1.260 -15.427 109 HA PRO 16 HA PRO 16 -38.583 -1.203 -9.274 110 HB2 PRO 16 HB2 PRO 16 -39.738 -3.278 -10.590 111 HB3 PRO 16 HB3 PRO 16 -40.656 -1.896 -9.981 112 HG2 PRO 16 HG2 PRO 16 -39.672 -2.443 -12.755 113 HG3 PRO 16 HG3 PRO 16 -41.246 -1.816 -12.229 114 HD2 PRO 16 HD2 PRO 16 -39.285 -0.213 -13.189 115 HD3 PRO 16 HD3 PRO 16 -40.441 0.326 -11.954 116 H ASP 17 H ASP 17 -37.014 -1.497 -12.311 117 HA ASP 17 HA ASP 17 -35.502 -3.844 -11.378 118 HB2 ASP 17 HB2 ASP 17 -36.713 -3.942 -13.613 119 HB3 ASP 17 HB3 ASP 17 -35.547 -2.756 -14.193 120 H GLY 18 H GLY 18 -34.235 -2.463 -9.973 121 HA2 GLY 18 HA2 GLY 18 -31.739 -1.984 -10.348 122 HA3 GLY 18 HA3 GLY 18 -32.343 -0.712 -11.400 123 H ASN 19 H ASN 19 -34.159 0.635 -10.196 124 HA ASN 19 HA ASN 19 -34.629 2.171 -8.585 125 HB2 ASN 19 HB2 ASN 19 -34.663 -0.075 -7.228 126 HB3 ASN 19 HB3 ASN 19 -33.171 0.548 -6.529 127 HD21 ASN 19 HD21 ASN 19 -35.862 0.065 -5.385 128 HD22 ASN 19 HD22 ASN 19 -36.320 1.566 -4.661 129 H CYS 20 H CYS 20 -32.098 2.222 -10.083 130 HA CYS 20 HA CYS 20 -30.283 3.591 -10.223 131 HB2 CYS 20 HB2 CYS 20 -31.858 5.197 -9.022 132 HB3 CYS 20 HB3 CYS 20 -31.042 4.727 -7.534 133 H ASN 21 H ASN 21 -30.601 1.104 -8.273 134 HA ASN 21 HA ASN 21 -28.376 1.412 -6.494 135 HB2 ASN 21 HB2 ASN 21 -30.184 -0.083 -5.883 136 HB3 ASN 21 HB3 ASN 21 -29.938 -1.035 -7.344 137 HD21 ASN 21 HD21 ASN 21 -29.486 -2.943 -6.356 138 HD22 ASN 21 HD22 ASN 21 -28.074 -3.215 -5.399 139 H LYS 22 H LYS 22 -28.914 -0.704 -9.318 140 HA LYS 22 HA LYS 22 -26.295 -1.629 -9.549 141 HB2 LYS 22 HB2 LYS 22 -26.897 -2.442 -11.684 142 HB3 LYS 22 HB3 LYS 22 -28.378 -2.485 -10.735 143 HG2 LYS 22 HG2 LYS 22 -28.674 -0.074 -11.812 144 HG3 LYS 22 HG3 LYS 22 -27.655 -0.799 -13.058 145 HD2 LYS 22 HD2 LYS 22 -29.262 -2.716 -13.138 146 HD3 LYS 22 HD3 LYS 22 -30.314 -1.806 -12.051 147 HE2 LYS 22 HE2 LYS 22 -29.383 -0.889 -14.770 148 HE3 LYS 22 HE3 LYS 22 -30.973 -1.558 -14.405 149 HZ1 LYS 22 HZ1 LYS 22 -30.102 1.097 -14.162 150 HZ2 LYS 22 HZ2 LYS 22 -30.496 0.530 -12.619 151 HZ3 LYS 22 HZ3 LYS 22 -31.642 0.465 -13.861 152 H HIS 23 H HIS 23 -27.737 1.373 -10.559 153 HA HIS 23 HA HIS 23 -25.759 2.169 -12.416 154 HB2 HIS 23 HB2 HIS 23 -28.154 3.156 -11.825 155 HB3 HIS 23 HB3 HIS 23 -27.200 4.211 -10.787 156 HD1 HIS 23 HD1 HIS 23 -26.026 6.138 -11.884 157 HD2 HIS 23 HD2 HIS 23 -27.492 3.388 -14.632 158 HE1 HIS 23 HE1 HIS 23 -25.710 7.207 -14.138 159 H CYS 24 H CYS 24 -26.303 3.403 -9.110 160 HA CYS 24 HA CYS 24 -23.824 4.705 -8.911 161 HB2 CYS 24 HB2 CYS 24 -25.787 3.729 -6.844 162 HB3 CYS 24 HB3 CYS 24 -24.301 4.559 -6.395 163 H LYS 25 H LYS 25 -24.627 1.401 -8.728 164 HA LYS 25 HA LYS 25 -22.271 0.684 -7.175 165 HB2 LYS 25 HB2 LYS 25 -24.578 -0.870 -8.318 166 HB3 LYS 25 HB3 LYS 25 -23.142 -1.688 -7.716 167 HG2 LYS 25 HG2 LYS 25 -23.523 -0.388 -5.552 168 HG3 LYS 25 HG3 LYS 25 -25.128 -0.036 -6.198 169 HD2 LYS 25 HD2 LYS 25 -25.519 -1.951 -4.964 170 HD3 LYS 25 HD3 LYS 25 -25.241 -2.611 -6.577 171 HE2 LYS 25 HE2 LYS 25 -22.710 -2.516 -5.546 172 HE3 LYS 25 HE3 LYS 25 -23.674 -2.903 -4.122 173 HZ1 LYS 25 HZ1 LYS 25 -23.242 -4.471 -6.556 174 HZ2 LYS 25 HZ2 LYS 25 -24.732 -4.622 -5.771 175 HZ3 LYS 25 HZ3 LYS 25 -23.300 -4.978 -4.943 176 H GLU 26 H GLU 26 -23.295 0.930 -10.462 177 HA GLU 26 HA GLU 26 -21.035 -0.659 -11.417 178 HB2 GLU 26 HB2 GLU 26 -23.480 0.493 -12.723 179 HB3 GLU 26 HB3 GLU 26 -22.105 -0.009 -13.697 180 HG2 GLU 26 HG2 GLU 26 -22.271 -2.264 -12.746 181 HG3 GLU 26 HG3 GLU 26 -23.677 -1.753 -11.814 182 H LYS 27 H LYS 27 -21.937 2.585 -10.847 183 HA LYS 27 HA LYS 27 -19.833 3.607 -12.619 184 HB2 LYS 27 HB2 LYS 27 -21.947 5.125 -11.079 185 HB3 LYS 27 HB3 LYS 27 -20.819 5.812 -12.241 186 HG2 LYS 27 HG2 LYS 27 -21.933 3.983 -13.813 187 HG3 LYS 27 HG3 LYS 27 -23.271 4.215 -12.685 188 HD2 LYS 27 HD2 LYS 27 -23.601 6.399 -13.313 189 HD3 LYS 27 HD3 LYS 27 -21.923 6.619 -13.818 190 HE2 LYS 27 HE2 LYS 27 -22.444 5.003 -15.709 191 HE3 LYS 27 HE3 LYS 27 -24.140 5.202 -15.275 192 HZ1 LYS 27 HZ1 LYS 27 -22.662 7.667 -15.617 193 HZ2 LYS 27 HZ2 LYS 27 -24.209 7.249 -16.155 194 HZ3 LYS 27 HZ3 LYS 27 -22.848 6.751 -17.027 195 H GLU 28 H GLU 28 -21.038 4.719 -9.461 196 HA GLU 28 HA GLU 28 -18.342 5.380 -8.650 197 HB2 GLU 28 HB2 GLU 28 -21.076 5.844 -7.531 198 HB3 GLU 28 HB3 GLU 28 -19.684 5.988 -6.467 199 HG2 GLU 28 HG2 GLU 28 -19.266 7.411 -8.943 200 HG3 GLU 28 HG3 GLU 28 -20.734 7.946 -8.125 201 H HIS 29 H HIS 29 -20.261 2.651 -8.524 202 HA HIS 29 HA HIS 29 -20.189 0.688 -7.371 203 HB2 HIS 29 HB2 HIS 29 -17.356 1.674 -7.176 204 HB3 HIS 29 HB3 HIS 29 -17.835 0.160 -6.414 205 HD1 HIS 29 HD1 HIS 29 -18.000 1.754 -9.866 206 HD2 HIS 29 HD2 HIS 29 -17.635 -1.972 -8.065 207 HE1 HIS 29 HE1 HIS 29 -17.661 0.125 -11.753 208 H LEU 30 H LEU 30 -21.398 2.660 -5.931 209 HA LEU 30 HA LEU 30 -20.267 2.674 -3.251 210 HB2 LEU 30 HB2 LEU 30 -22.825 3.887 -4.288 211 HB3 LEU 30 HB3 LEU 30 -22.119 4.159 -2.696 212 HG LEU 30 HG LEU 30 -21.047 5.083 -5.356 213 HD11 LEU 30 HD11 LEU 30 -22.176 6.936 -4.915 214 HD12 LEU 30 HD12 LEU 30 -21.257 7.132 -3.423 215 HD13 LEU 30 HD13 LEU 30 -22.777 6.238 -3.412 216 HD21 LEU 30 HD21 LEU 30 -19.468 6.259 -3.496 217 HD22 LEU 30 HD22 LEU 30 -19.032 4.808 -4.398 218 HD23 LEU 30 HD23 LEU 30 -19.708 4.668 -2.774 219 H LEU 31 H LEU 31 -22.388 2.602 -1.600 220 HA LEU 31 HA LEU 31 -22.959 -0.176 -1.428 221 HB2 LEU 31 HB2 LEU 31 -23.955 2.219 0.093 222 HB3 LEU 31 HB3 LEU 31 -24.481 0.576 0.456 223 HG LEU 31 HG LEU 31 -21.644 1.591 0.628 224 HD11 LEU 31 HD11 LEU 31 -23.729 2.043 2.379 225 HD12 LEU 31 HD12 LEU 31 -22.009 2.130 2.757 226 HD13 LEU 31 HD13 LEU 31 -22.905 0.642 3.063 227 HD21 LEU 31 HD21 LEU 31 -22.879 -1.082 1.269 228 HD22 LEU 31 HD22 LEU 31 -21.267 -0.586 1.785 229 HD23 LEU 31 HD23 LEU 31 -21.636 -0.735 0.066 230 H SER 32 H SER 32 -25.018 2.662 -2.054 231 HA SER 32 HA SER 32 -26.667 1.189 -3.868 232 HB2 SER 32 HB2 SER 32 -28.677 1.053 -2.657 233 HB3 SER 32 HB3 SER 32 -27.457 0.538 -1.493 234 HG SER 32 HG SER 32 -29.179 2.354 -1.060 235 H GLY 33 H GLY 33 -28.892 2.697 -4.019 236 HA2 GLY 33 HA2 GLY 33 -28.348 5.507 -3.801 237 HA3 GLY 33 HA3 GLY 33 -28.194 4.922 -5.451 238 H ARG 34 H ARG 34 -30.208 6.579 -3.667 239 HA ARG 34 HA ARG 34 -32.661 5.180 -4.435 240 HB2 ARG 34 HB2 ARG 34 -32.472 7.744 -2.861 241 HB3 ARG 34 HB3 ARG 34 -33.819 6.616 -2.937 242 HG2 ARG 34 HG2 ARG 34 -32.567 4.968 -1.702 243 HG3 ARG 34 HG3 ARG 34 -31.136 6.001 -1.717 244 HD2 ARG 34 HD2 ARG 34 -32.630 7.734 -0.547 245 HD3 ARG 34 HD3 ARG 34 -33.720 6.383 -0.241 246 HE ARG 34 HE ARG 34 -31.246 6.933 1.083 247 HH11 ARG 34 HH11 ARG 34 -33.420 4.396 0.104 248 HH12 ARG 34 HH12 ARG 34 -32.911 3.302 1.346 249 HH21 ARG 34 HH21 ARG 34 -30.567 5.501 2.723 250 HH22 ARG 34 HH22 ARG 34 -31.288 3.931 2.836 251 H CYS 35 H CYS 35 -34.473 6.671 -5.214 252 HA CYS 35 HA CYS 35 -33.382 8.480 -7.268 253 HB2 CYS 35 HB2 CYS 35 -36.077 7.198 -7.523 254 HB3 CYS 35 HB3 CYS 35 -34.988 7.761 -8.787 255 H ARG 36 H ARG 36 -34.726 10.302 -7.877 256 HA ARG 36 HA ARG 36 -36.641 11.135 -5.810 257 HB2 ARG 36 HB2 ARG 36 -34.590 13.006 -6.991 258 HB3 ARG 36 HB3 ARG 36 -35.685 13.316 -5.650 259 HG2 ARG 36 HG2 ARG 36 -34.175 11.060 -4.929 260 HG3 ARG 36 HG3 ARG 36 -33.043 12.227 -5.616 261 HD2 ARG 36 HD2 ARG 36 -35.069 12.887 -3.484 262 HD3 ARG 36 HD3 ARG 36 -33.395 12.442 -3.150 263 HE ARG 36 HE ARG 36 -33.132 14.500 -4.871 264 HH11 ARG 36 HH11 ARG 36 -34.954 14.089 -1.933 265 HH12 ARG 36 HH12 ARG 36 -34.866 15.762 -1.491 266 HH21 ARG 36 HH21 ARG 36 -33.010 16.705 -4.300 267 HH22 ARG 36 HH22 ARG 36 -33.761 17.249 -2.839 268 H ASP 37 H ASP 37 -38.099 12.845 -6.501 269 HA ASP 37 HA ASP 37 -38.969 12.434 -9.211 270 HB2 ASP 37 HB2 ASP 37 -40.503 12.702 -7.216 271 HB3 ASP 37 HB3 ASP 37 -40.079 14.412 -7.217 272 H ASP 38 H ASP 38 -36.813 14.538 -7.717 273 HA ASP 38 HA ASP 38 -37.246 16.728 -9.590 274 HB2 ASP 38 HB2 ASP 38 -35.130 17.601 -8.298 275 HB3 ASP 38 HB3 ASP 38 -36.715 17.634 -7.531 276 H PHE 39 H PHE 39 -36.447 14.183 -10.656 277 HA PHE 39 HA PHE 39 -34.932 13.224 -12.063 278 HB2 PHE 39 HB2 PHE 39 -34.870 16.130 -12.624 279 HB3 PHE 39 HB3 PHE 39 -33.541 15.188 -13.291 280 HD1 PHE 39 HD1 PHE 39 -37.203 15.594 -13.260 281 HD2 PHE 39 HD2 PHE 39 -33.861 13.746 -15.139 282 HE1 PHE 39 HE1 PHE 39 -38.644 14.897 -15.129 283 HE2 PHE 39 HE2 PHE 39 -35.297 13.047 -17.011 284 HZ PHE 39 HZ PHE 39 -37.691 13.623 -17.008 285 H ARG 40 H ARG 40 -34.069 13.561 -9.341 286 HA ARG 40 HA ARG 40 -31.159 13.672 -9.779 287 HB2 ARG 40 HB2 ARG 40 -32.668 14.631 -7.340 288 HB3 ARG 40 HB3 ARG 40 -30.917 14.550 -7.479 289 HG2 ARG 40 HG2 ARG 40 -31.965 16.023 -9.689 290 HG3 ARG 40 HG3 ARG 40 -32.621 16.671 -8.184 291 HD2 ARG 40 HD2 ARG 40 -30.025 16.333 -7.500 292 HD3 ARG 40 HD3 ARG 40 -29.865 16.692 -9.219 293 HE ARG 40 HE ARG 40 -30.340 18.861 -8.728 294 HH11 ARG 40 HH11 ARG 40 -31.665 16.853 -6.211 295 HH12 ARG 40 HH12 ARG 40 -32.216 18.190 -5.256 296 HH21 ARG 40 HH21 ARG 40 -31.061 20.628 -7.480 297 HH22 ARG 40 HH22 ARG 40 -31.872 20.336 -5.979 298 H CYS 41 H CYS 41 -29.960 12.055 -8.889 299 HA CYS 41 HA CYS 41 -31.419 10.015 -7.342 300 HB2 CYS 41 HB2 CYS 41 -31.037 9.064 -9.488 301 HB3 CYS 41 HB3 CYS 41 -29.386 9.673 -9.543 302 H TRP 42 H TRP 42 -30.640 9.696 -5.374 303 HA TRP 42 HA TRP 42 -28.005 10.743 -4.692 304 HB2 TRP 42 HB2 TRP 42 -30.335 9.772 -3.041 305 HB3 TRP 42 HB3 TRP 42 -28.767 10.139 -2.328 306 HD1 TRP 42 HD1 TRP 42 -31.536 11.924 -4.368 307 HE1 TRP 42 HE1 TRP 42 -31.535 14.410 -3.702 308 HE3 TRP 42 HE3 TRP 42 -27.506 11.918 -1.223 309 HZ2 TRP 42 HZ2 TRP 42 -30.024 16.140 -2.060 310 HZ3 TRP 42 HZ3 TRP 42 -26.848 14.030 -0.145 311 HH2 TRP 42 HH2 TRP 42 -28.082 16.096 -0.557 312 H CYS 43 H CYS 43 -26.423 9.506 -3.591 313 HA CYS 43 HA CYS 43 -26.725 6.589 -3.861 314 HB2 CYS 43 HB2 CYS 43 -24.208 8.166 -4.435 315 HB3 CYS 43 HB3 CYS 43 -24.403 6.422 -4.579 316 H THR 44 H THR 44 -26.081 5.390 -2.160 317 HA THR 44 HA THR 44 -25.129 6.837 0.200 318 HB THR 44 HB THR 44 -26.193 4.012 0.012 319 HG1 THR 44 HG1 THR 44 -28.134 4.849 0.357 320 HG21 THR 44 HG21 THR 44 -24.911 5.511 2.127 321 HG22 THR 44 HG22 THR 44 -25.380 3.812 2.081 322 HG23 THR 44 HG23 THR 44 -26.546 5.035 2.583 323 H ARG 45 H ARG 45 -23.116 6.635 0.940 324 HA ARG 45 HA ARG 45 -21.542 4.278 0.184 325 HB2 ARG 45 HB2 ARG 45 -19.616 5.639 -0.380 326 HB3 ARG 45 HB3 ARG 45 -20.983 6.106 -1.383 327 HG2 ARG 45 HG2 ARG 45 -21.387 8.025 0.107 328 HG3 ARG 45 HG3 ARG 45 -19.959 7.572 1.039 329 HD2 ARG 45 HD2 ARG 45 -19.895 8.155 -1.914 330 HD3 ARG 45 HD3 ARG 45 -19.617 9.383 -0.680 331 HE ARG 45 HE ARG 45 -17.942 7.048 -0.441 332 HH11 ARG 45 HH11 ARG 45 -18.304 10.213 -1.846 333 HH12 ARG 45 HH12 ARG 45 -16.603 10.451 -2.071 334 HH21 ARG 45 HH21 ARG 45 -15.700 7.349 -0.733 335 HH22 ARG 45 HH22 ARG 45 -15.123 8.820 -1.439 336 H ASN 46 H ASN 46 -19.531 4.083 1.500 337 HA ASN 46 HA ASN 46 -20.159 4.372 4.262 338 HB2 ASN 46 HB2 ASN 46 -17.501 3.619 3.030 339 HB3 ASN 46 HB3 ASN 46 -18.032 3.290 4.676 340 HD21 ASN 46 HD21 ASN 46 -18.343 2.420 1.333 341 HD22 ASN 46 HD22 ASN 46 -19.183 0.932 1.587 342 H CYS 47 H CYS 47 -19.494 5.840 5.731 343 HA CYS 47 HA CYS 47 -17.308 7.644 5.191 344 HB2 CYS 47 HB2 CYS 47 -18.510 9.675 5.134 345 HB3 CYS 47 HB3 CYS 47 -19.370 8.611 4.026 Start of MODEL 17 1 H1 LYS 1 H LYS 1 -20.193 3.096 8.480 2 HA LYS 1 HA LYS 1 -22.608 4.582 9.111 3 HB2 LYS 1 HB2 LYS 1 -20.732 5.715 10.339 4 HB3 LYS 1 HB3 LYS 1 -19.973 6.026 8.783 5 HG2 LYS 1 HG2 LYS 1 -21.192 7.972 9.619 6 HG3 LYS 1 HG3 LYS 1 -21.863 7.379 8.098 7 HD2 LYS 1 HD2 LYS 1 -23.688 6.328 9.238 8 HD3 LYS 1 HD3 LYS 1 -22.966 6.666 10.813 9 HE2 LYS 1 HE2 LYS 1 -23.374 9.028 9.123 10 HE3 LYS 1 HE3 LYS 1 -24.859 8.203 9.595 11 HZ1 LYS 1 HZ1 LYS 1 -22.764 9.282 11.398 12 HZ2 LYS 1 HZ2 LYS 1 -24.052 8.321 11.923 13 HZ3 LYS 1 HZ3 LYS 1 -24.354 9.836 11.233 14 H THR 2 H THR 2 -23.263 6.024 7.362 15 HA THR 2 HA THR 2 -21.921 5.624 4.802 16 HB THR 2 HB THR 2 -24.226 5.146 3.760 17 HG1 THR 2 HG1 THR 2 -24.755 4.164 6.379 18 HG21 THR 2 HG21 THR 2 -24.017 2.681 4.321 19 HG22 THR 2 HG22 THR 2 -22.704 3.135 5.407 20 HG23 THR 2 HG23 THR 2 -22.569 3.454 3.678 21 H CYS 3 H CYS 3 -22.456 7.170 3.220 22 HA CYS 3 HA CYS 3 -24.033 9.455 4.208 23 HB2 CYS 3 HB2 CYS 3 -21.410 9.438 2.720 24 HB3 CYS 3 HB3 CYS 3 -22.439 10.864 2.797 25 H GLU 4 H GLU 4 -24.950 10.826 2.513 26 HA GLU 4 HA GLU 4 -25.533 9.296 0.062 27 HB2 GLU 4 HB2 GLU 4 -27.379 9.781 1.903 28 HB3 GLU 4 HB3 GLU 4 -27.456 11.334 1.083 29 HG2 GLU 4 HG2 GLU 4 -29.015 10.252 -0.132 30 HG3 GLU 4 HG3 GLU 4 -27.596 9.749 -1.048 31 H ASN 5 H ASN 5 -25.479 10.352 -1.879 32 HA ASN 5 HA ASN 5 -25.006 13.237 -1.900 33 HB2 ASN 5 HB2 ASN 5 -23.078 12.988 -3.417 34 HB3 ASN 5 HB3 ASN 5 -22.771 12.248 -1.848 35 HD21 ASN 5 HD21 ASN 5 -23.049 9.920 -1.692 36 HD22 ASN 5 HD22 ASN 5 -22.699 8.941 -3.072 37 H LEU 6 H LEU 6 -25.617 14.268 -3.798 38 HA LEU 6 HA LEU 6 -27.635 12.976 -5.321 39 HB2 LEU 6 HB2 LEU 6 -26.322 15.648 -5.352 40 HB3 LEU 6 HB3 LEU 6 -27.272 15.158 -6.754 41 HG LEU 6 HG LEU 6 -28.291 15.384 -3.922 42 HD11 LEU 6 HD11 LEU 6 -29.017 17.457 -4.383 43 HD12 LEU 6 HD12 LEU 6 -29.402 17.064 -6.058 44 HD13 LEU 6 HD13 LEU 6 -27.740 17.437 -5.599 45 HD21 LEU 6 HD21 LEU 6 -29.530 14.453 -6.483 46 HD22 LEU 6 HD22 LEU 6 -30.516 15.198 -5.225 47 HD23 LEU 6 HD23 LEU 6 -29.605 13.728 -4.877 48 H SER 7 H SER 7 -27.540 11.938 -7.216 49 HA SER 7 HA SER 7 -24.934 11.484 -8.408 50 HB2 SER 7 HB2 SER 7 -26.916 9.769 -7.987 51 HB3 SER 7 HB3 SER 7 -27.432 10.334 -9.575 52 HG SER 7 HG SER 7 -24.788 9.468 -9.081 53 H ASP 8 H ASP 8 -24.185 12.481 -10.156 54 HA ASP 8 HA ASP 8 -25.967 14.286 -11.611 55 HB2 ASP 8 HB2 ASP 8 -23.720 15.038 -12.638 56 HB3 ASP 8 HB3 ASP 8 -24.035 15.437 -10.951 57 H SER 9 H SER 9 -24.415 11.263 -11.939 58 HA SER 9 HA SER 9 -24.343 11.283 -14.828 59 HB2 SER 9 HB2 SER 9 -23.505 9.024 -14.648 60 HB3 SER 9 HB3 SER 9 -22.690 10.013 -13.437 61 HG SER 9 HG SER 9 -23.573 8.858 -11.916 62 H PHE 10 H PHE 10 -26.515 10.288 -12.309 63 HA PHE 10 HA PHE 10 -28.156 8.693 -14.088 64 HB2 PHE 10 HB2 PHE 10 -27.740 8.345 -11.526 65 HB3 PHE 10 HB3 PHE 10 -29.018 9.542 -11.345 66 HD1 PHE 10 HD2 PHE 10 -31.269 9.071 -12.358 67 HD2 PHE 10 HD1 PHE 10 -28.230 6.110 -12.026 68 HE1 PHE 10 HE2 PHE 10 -32.961 7.308 -12.644 69 HE2 PHE 10 HE1 PHE 10 -29.917 4.342 -12.313 70 HZ PHE 10 HZ PHE 10 -32.286 4.940 -12.621 71 H LYS 11 H LYS 11 -30.098 9.267 -14.952 72 HA LYS 11 HA LYS 11 -31.064 11.996 -14.421 73 HB2 LYS 11 HB2 LYS 11 -30.280 10.749 -16.985 74 HB3 LYS 11 HB3 LYS 11 -31.786 11.657 -17.010 75 HG2 LYS 11 HG2 LYS 11 -29.834 13.003 -17.668 76 HG3 LYS 11 HG3 LYS 11 -30.659 13.641 -16.243 77 HD2 LYS 11 HD2 LYS 11 -28.908 13.210 -14.872 78 HD3 LYS 11 HD3 LYS 11 -28.458 11.737 -15.735 79 HE2 LYS 11 HE2 LYS 11 -26.763 13.517 -15.937 80 HE3 LYS 11 HE3 LYS 11 -27.432 13.033 -17.495 81 HZ1 LYS 11 HZ1 LYS 11 -28.927 15.166 -16.364 82 HZ2 LYS 11 HZ2 LYS 11 -28.137 15.089 -17.857 83 HZ3 LYS 11 HZ3 LYS 11 -27.292 15.586 -16.478 84 H GLY 12 H GLY 12 -33.293 12.308 -14.517 85 HA2 GLY 12 HA2 GLY 12 -35.504 11.728 -14.311 86 HA3 GLY 12 HA3 GLY 12 -35.164 10.434 -15.450 87 HA PRO 13 HA PRO 13 -36.028 8.868 -11.037 88 HB2 PRO 13 HB2 PRO 13 -38.550 7.945 -11.431 89 HB3 PRO 13 HB3 PRO 13 -38.204 9.585 -10.868 90 HG2 PRO 13 HG2 PRO 13 -38.870 8.630 -13.626 91 HG3 PRO 13 HG3 PRO 13 -39.459 10.064 -12.766 92 HD2 PRO 13 HD2 PRO 13 -37.497 10.187 -14.628 93 HD3 PRO 13 HD3 PRO 13 -37.557 11.280 -13.231 94 H CYS 14 H CYS 14 -37.295 6.536 -10.748 95 HA CYS 14 HA CYS 14 -36.775 4.717 -12.916 96 HB2 CYS 14 HB2 CYS 14 -35.110 3.360 -11.729 97 HB3 CYS 14 HB3 CYS 14 -34.508 4.989 -12.021 98 H ILE 15 H ILE 15 -37.554 2.585 -12.504 99 HA ILE 15 HA ILE 15 -39.939 2.401 -11.161 100 HB ILE 15 HB ILE 15 -39.483 -0.123 -11.113 101 HG12 ILE 15 HG12 ILE 15 -37.109 0.703 -12.790 102 HG13 ILE 15 HG13 ILE 15 -36.979 0.194 -11.110 103 HG21 ILE 15 HG21 ILE 15 -39.897 -0.326 -13.468 104 HG22 ILE 15 HG22 ILE 15 -40.730 1.110 -12.875 105 HG23 ILE 15 HG23 ILE 15 -39.219 1.273 -13.771 106 HD11 ILE 15 HD11 ILE 15 -38.462 -1.687 -12.757 107 HD12 ILE 15 HD12 ILE 15 -36.804 -1.433 -13.301 108 HD13 ILE 15 HD13 ILE 15 -37.118 -1.958 -11.648 109 HA PRO 16 HA PRO 16 -39.165 1.943 -6.866 110 HB2 PRO 16 HB2 PRO 16 -41.045 0.121 -6.145 111 HB3 PRO 16 HB3 PRO 16 -41.439 1.789 -6.578 112 HG2 PRO 16 HG2 PRO 16 -41.614 -0.692 -8.243 113 HG3 PRO 16 HG3 PRO 16 -42.767 0.648 -8.108 114 HD2 PRO 16 HD2 PRO 16 -41.037 0.419 -10.178 115 HD3 PRO 16 HD3 PRO 16 -41.568 1.991 -9.547 116 H ASP 17 H ASP 17 -37.050 0.882 -7.453 117 HA ASP 17 HA ASP 17 -36.654 -1.422 -5.904 118 HB2 ASP 17 HB2 ASP 17 -37.786 -2.232 -8.175 119 HB3 ASP 17 HB3 ASP 17 -36.123 -2.133 -8.749 120 H GLY 18 H GLY 18 -34.382 -2.503 -6.846 121 HA2 GLY 18 HA2 GLY 18 -32.499 -0.366 -6.478 122 HA3 GLY 18 HA3 GLY 18 -32.117 -2.066 -6.706 123 H ASN 19 H ASN 19 -33.592 0.550 -8.636 124 HA ASN 19 HA ASN 19 -32.122 -0.431 -10.970 125 HB2 ASN 19 HB2 ASN 19 -34.596 1.172 -10.564 126 HB3 ASN 19 HB3 ASN 19 -33.647 1.508 -12.009 127 HD21 ASN 19 HD21 ASN 19 -34.482 -1.443 -10.222 128 HD22 ASN 19 HD22 ASN 19 -35.114 -2.293 -11.587 129 H CYS 20 H CYS 20 -31.476 1.580 -8.541 130 HA CYS 20 HA CYS 20 -30.057 3.512 -10.257 131 HB2 CYS 20 HB2 CYS 20 -31.942 4.216 -8.500 132 HB3 CYS 20 HB3 CYS 20 -30.572 4.152 -7.396 133 H ASN 21 H ASN 21 -29.770 1.013 -7.982 134 HA ASN 21 HA ASN 21 -27.281 1.790 -6.810 135 HB2 ASN 21 HB2 ASN 21 -27.350 -0.232 -5.662 136 HB3 ASN 21 HB3 ASN 21 -29.059 0.083 -5.952 137 HD21 ASN 21 HD21 ASN 21 -30.193 -1.512 -6.779 138 HD22 ASN 21 HD22 ASN 21 -29.562 -2.868 -7.645 139 H LYS 22 H LYS 22 -28.242 -0.197 -9.553 140 HA LYS 22 HA LYS 22 -25.819 -1.418 -10.145 141 HB2 LYS 22 HB2 LYS 22 -26.656 -1.498 -12.497 142 HB3 LYS 22 HB3 LYS 22 -27.815 -2.074 -11.306 143 HG2 LYS 22 HG2 LYS 22 -28.902 0.167 -11.382 144 HG3 LYS 22 HG3 LYS 22 -27.819 0.587 -12.711 145 HD2 LYS 22 HD2 LYS 22 -29.668 -1.793 -12.744 146 HD3 LYS 22 HD3 LYS 22 -30.091 -0.214 -13.410 147 HE2 LYS 22 HE2 LYS 22 -29.191 -0.944 -15.318 148 HE3 LYS 22 HE3 LYS 22 -27.629 -0.729 -14.529 149 HZ1 LYS 22 HZ1 LYS 22 -29.099 -3.247 -14.155 150 HZ2 LYS 22 HZ2 LYS 22 -27.433 -2.961 -14.108 151 HZ3 LYS 22 HZ3 LYS 22 -28.243 -2.997 -15.592 152 H HIS 23 H HIS 23 -27.018 1.778 -11.087 153 HA HIS 23 HA HIS 23 -24.788 2.443 -12.714 154 HB2 HIS 23 HB2 HIS 23 -27.210 3.527 -12.457 155 HB3 HIS 23 HB3 HIS 23 -26.342 4.590 -11.353 156 HD1 HIS 23 HD1 HIS 23 -24.969 3.228 -14.603 157 HD2 HIS 23 HD2 HIS 23 -26.211 6.824 -12.932 158 HE1 HIS 23 HE1 HIS 23 -24.344 4.999 -16.276 159 H CYS 24 H CYS 24 -25.702 3.490 -9.429 160 HA CYS 24 HA CYS 24 -23.354 4.928 -8.899 161 HB2 CYS 24 HB2 CYS 24 -25.179 3.517 -6.940 162 HB3 CYS 24 HB3 CYS 24 -24.007 4.767 -6.533 163 H LYS 25 H LYS 25 -24.024 1.536 -8.854 164 HA LYS 25 HA LYS 25 -21.636 0.899 -7.322 165 HB2 LYS 25 HB2 LYS 25 -23.780 -0.802 -8.593 166 HB3 LYS 25 HB3 LYS 25 -22.358 -1.484 -7.815 167 HG2 LYS 25 HG2 LYS 25 -22.998 -0.642 -5.698 168 HG3 LYS 25 HG3 LYS 25 -24.256 0.374 -6.407 169 HD2 LYS 25 HD2 LYS 25 -25.713 -1.280 -6.117 170 HD3 LYS 25 HD3 LYS 25 -24.774 -2.275 -7.233 171 HE2 LYS 25 HE2 LYS 25 -23.323 -2.443 -4.911 172 HE3 LYS 25 HE3 LYS 25 -24.984 -2.397 -4.321 173 HZ1 LYS 25 HZ1 LYS 25 -23.643 -4.427 -5.944 174 HZ2 LYS 25 HZ2 LYS 25 -25.290 -4.164 -6.225 175 HZ3 LYS 25 HZ3 LYS 25 -24.758 -4.614 -4.684 176 H GLU 26 H GLU 26 -22.661 1.148 -10.615 177 HA GLU 26 HA GLU 26 -20.367 -0.339 -11.614 178 HB2 GLU 26 HB2 GLU 26 -22.784 0.905 -12.877 179 HB3 GLU 26 HB3 GLU 26 -21.392 0.491 -13.867 180 HG2 GLU 26 HG2 GLU 26 -21.553 -1.831 -13.122 181 HG3 GLU 26 HG3 GLU 26 -22.956 -1.414 -12.139 182 H LYS 27 H LYS 27 -21.192 2.853 -10.794 183 HA LYS 27 HA LYS 27 -18.994 3.934 -12.426 184 HB2 LYS 27 HB2 LYS 27 -21.262 5.405 -11.069 185 HB3 LYS 27 HB3 LYS 27 -20.013 6.138 -12.068 186 HG2 LYS 27 HG2 LYS 27 -20.925 4.373 -13.828 187 HG3 LYS 27 HG3 LYS 27 -22.385 4.550 -12.852 188 HD2 LYS 27 HD2 LYS 27 -22.840 6.399 -14.004 189 HD3 LYS 27 HD3 LYS 27 -21.436 7.150 -13.241 190 HE2 LYS 27 HE2 LYS 27 -20.901 7.445 -15.445 191 HE3 LYS 27 HE3 LYS 27 -20.141 5.881 -15.150 192 HZ1 LYS 27 HZ1 LYS 27 -22.250 4.864 -15.996 193 HZ2 LYS 27 HZ2 LYS 27 -21.344 5.698 -17.156 194 HZ3 LYS 27 HZ3 LYS 27 -22.730 6.408 -16.495 195 H GLU 28 H GLU 28 -20.480 5.040 -9.393 196 HA GLU 28 HA GLU 28 -17.861 5.627 -8.313 197 HB2 GLU 28 HB2 GLU 28 -20.674 6.230 -7.558 198 HB3 GLU 28 HB3 GLU 28 -19.481 6.209 -6.267 199 HG2 GLU 28 HG2 GLU 28 -18.330 8.015 -7.114 200 HG3 GLU 28 HG3 GLU 28 -18.944 7.772 -8.749 201 H HIS 29 H HIS 29 -19.522 2.863 -8.570 202 HA HIS 29 HA HIS 29 -19.689 0.907 -7.394 203 HB2 HIS 29 HB2 HIS 29 -16.922 1.925 -6.834 204 HB3 HIS 29 HB3 HIS 29 -17.471 0.416 -6.111 205 HD1 HIS 29 HD1 HIS 29 -17.289 1.943 -9.595 206 HD2 HIS 29 HD2 HIS 29 -16.975 -1.728 -7.675 207 HE1 HIS 29 HE1 HIS 29 -16.679 0.294 -11.393 208 H LEU 30 H LEU 30 -21.110 2.840 -6.103 209 HA LEU 30 HA LEU 30 -20.353 2.918 -3.311 210 HB2 LEU 30 HB2 LEU 30 -22.910 3.836 -4.615 211 HB3 LEU 30 HB3 LEU 30 -22.345 4.247 -2.997 212 HG LEU 30 HG LEU 30 -21.115 5.130 -5.607 213 HD11 LEU 30 HD11 LEU 30 -21.736 7.396 -4.458 214 HD12 LEU 30 HD12 LEU 30 -22.918 6.404 -3.605 215 HD13 LEU 30 HD13 LEU 30 -22.947 6.490 -5.366 216 HD21 LEU 30 HD21 LEU 30 -20.069 6.620 -3.502 217 HD22 LEU 30 HD22 LEU 30 -19.230 5.397 -4.458 218 HD23 LEU 30 HD23 LEU 30 -20.016 4.948 -2.943 219 H LEU 31 H LEU 31 -22.758 2.691 -2.008 220 HA LEU 31 HA LEU 31 -23.069 -0.171 -1.922 221 HB2 LEU 31 HB2 LEU 31 -24.330 2.061 -0.343 222 HB3 LEU 31 HB3 LEU 31 -24.660 0.354 -0.059 223 HG LEU 31 HG LEU 31 -21.937 1.626 0.193 224 HD11 LEU 31 HD11 LEU 31 -22.266 1.932 2.433 225 HD12 LEU 31 HD12 LEU 31 -23.519 0.696 2.533 226 HD13 LEU 31 HD13 LEU 31 -23.890 2.272 1.835 227 HD21 LEU 31 HD21 LEU 31 -21.956 -0.785 -0.327 228 HD22 LEU 31 HD22 LEU 31 -22.961 -1.064 1.096 229 HD23 LEU 31 HD23 LEU 31 -21.320 -0.442 1.282 230 H SER 32 H SER 32 -25.316 2.563 -2.372 231 HA SER 32 HA SER 32 -26.757 1.187 -4.424 232 HB2 SER 32 HB2 SER 32 -28.759 0.675 -3.342 233 HB3 SER 32 HB3 SER 32 -27.556 0.217 -2.137 234 HG SER 32 HG SER 32 -28.711 1.496 -0.916 235 H GLY 33 H GLY 33 -29.127 2.511 -4.440 236 HA2 GLY 33 HA2 GLY 33 -28.823 5.309 -3.890 237 HA3 GLY 33 HA3 GLY 33 -28.596 4.937 -5.592 238 H ARG 34 H ARG 34 -30.606 6.616 -4.889 239 HA ARG 34 HA ARG 34 -32.946 5.063 -5.668 240 HB2 ARG 34 HB2 ARG 34 -33.170 7.039 -3.407 241 HB3 ARG 34 HB3 ARG 34 -34.358 5.859 -3.945 242 HG2 ARG 34 HG2 ARG 34 -32.631 4.096 -3.246 243 HG3 ARG 34 HG3 ARG 34 -31.851 5.416 -2.371 244 HD2 ARG 34 HD2 ARG 34 -34.521 5.650 -1.687 245 HD3 ARG 34 HD3 ARG 34 -34.247 3.909 -1.723 246 HE ARG 34 HE ARG 34 -33.234 5.774 0.197 247 HH11 ARG 34 HH11 ARG 34 -32.635 2.731 -1.384 248 HH12 ARG 34 HH12 ARG 34 -31.658 2.106 -0.097 249 HH21 ARG 34 HH21 ARG 34 -31.950 4.962 1.899 250 HH22 ARG 34 HH22 ARG 34 -31.270 3.375 1.770 251 H CYS 35 H CYS 35 -34.198 6.108 -7.106 252 HA CYS 35 HA CYS 35 -33.396 8.812 -7.866 253 HB2 CYS 35 HB2 CYS 35 -35.455 7.294 -9.396 254 HB3 CYS 35 HB3 CYS 35 -34.176 8.353 -9.980 255 H ARG 36 H ARG 36 -35.102 10.368 -8.485 256 HA ARG 36 HA ARG 36 -37.603 10.035 -6.991 257 HB2 ARG 36 HB2 ARG 36 -35.647 11.452 -5.858 258 HB3 ARG 36 HB3 ARG 36 -36.298 12.709 -6.902 259 HG2 ARG 36 HG2 ARG 36 -38.144 12.962 -5.659 260 HG3 ARG 36 HG3 ARG 36 -38.313 11.228 -5.374 261 HD2 ARG 36 HD2 ARG 36 -37.134 11.297 -3.450 262 HD3 ARG 36 HD3 ARG 36 -36.017 12.518 -4.057 263 HE ARG 36 HE ARG 36 -38.564 13.660 -3.637 264 HH11 ARG 36 HH11 ARG 36 -35.798 12.456 -1.900 265 HH12 ARG 36 HH12 ARG 36 -36.051 13.480 -0.526 266 HH21 ARG 36 HH21 ARG 36 -38.908 15.014 -1.834 267 HH22 ARG 36 HH22 ARG 36 -37.821 14.934 -0.489 268 H ASP 37 H ASP 37 -38.958 12.206 -7.459 269 HA ASP 37 HA ASP 37 -39.378 12.171 -10.309 270 HB2 ASP 37 HB2 ASP 37 -41.218 12.215 -8.565 271 HB3 ASP 37 HB3 ASP 37 -40.795 13.901 -8.281 272 H ASP 38 H ASP 38 -37.393 13.915 -8.289 273 HA ASP 38 HA ASP 38 -37.553 16.412 -9.776 274 HB2 ASP 38 HB2 ASP 38 -35.779 17.167 -8.194 275 HB3 ASP 38 HB3 ASP 38 -37.244 16.610 -7.389 276 H PHE 39 H PHE 39 -36.552 13.735 -10.852 277 HA PHE 39 HA PHE 39 -34.963 12.989 -12.297 278 HB2 PHE 39 HB2 PHE 39 -35.009 15.915 -12.653 279 HB3 PHE 39 HB3 PHE 39 -33.544 15.124 -13.226 280 HD1 PHE 39 HD2 PHE 39 -37.249 14.731 -13.396 281 HD2 PHE 39 HD1 PHE 39 -33.506 14.344 -15.384 282 HE1 PHE 39 HE2 PHE 39 -38.417 14.078 -15.460 283 HE2 PHE 39 HE1 PHE 39 -34.668 13.691 -17.452 284 HZ PHE 39 HZ PHE 39 -37.126 13.556 -17.492 285 H ARG 40 H ARG 40 -34.322 13.527 -9.400 286 HA ARG 40 HA ARG 40 -31.387 13.500 -9.670 287 HB2 ARG 40 HB2 ARG 40 -32.883 14.430 -7.220 288 HB3 ARG 40 HB3 ARG 40 -31.165 14.594 -7.560 289 HG2 ARG 40 HG2 ARG 40 -32.615 15.855 -9.654 290 HG3 ARG 40 HG3 ARG 40 -33.250 16.419 -8.108 291 HD2 ARG 40 HD2 ARG 40 -30.693 16.626 -7.517 292 HD3 ARG 40 HD3 ARG 40 -30.523 16.713 -9.269 293 HE ARG 40 HE ARG 40 -31.463 18.766 -7.557 294 HH11 ARG 40 HH11 ARG 40 -31.965 17.359 -10.702 295 HH12 ARG 40 HH12 ARG 40 -32.564 18.824 -11.406 296 HH21 ARG 40 HH21 ARG 40 -32.251 20.701 -8.472 297 HH22 ARG 40 HH22 ARG 40 -32.726 20.725 -10.137 298 H CYS 41 H CYS 41 -30.283 11.887 -8.665 299 HA CYS 41 HA CYS 41 -31.861 9.955 -7.096 300 HB2 CYS 41 HB2 CYS 41 -31.457 8.977 -9.264 301 HB3 CYS 41 HB3 CYS 41 -29.748 9.394 -9.184 302 H TRP 42 H TRP 42 -31.108 9.624 -5.117 303 HA TRP 42 HA TRP 42 -28.458 10.620 -4.420 304 HB2 TRP 42 HB2 TRP 42 -30.835 9.747 -2.783 305 HB3 TRP 42 HB3 TRP 42 -29.267 10.082 -2.055 306 HD1 TRP 42 HD1 TRP 42 -32.070 11.874 -4.010 307 HE1 TRP 42 HE1 TRP 42 -31.960 14.385 -3.452 308 HE3 TRP 42 HE3 TRP 42 -27.809 11.891 -1.185 309 HZ2 TRP 42 HZ2 TRP 42 -30.287 16.139 -2.006 310 HZ3 TRP 42 HZ3 TRP 42 -27.021 14.027 -0.252 311 HH2 TRP 42 HH2 TRP 42 -28.235 16.106 -0.655 312 H CYS 43 H CYS 43 -26.756 9.354 -4.023 313 HA CYS 43 HA CYS 43 -27.199 6.446 -3.937 314 HB2 CYS 43 HB2 CYS 43 -24.703 7.969 -4.716 315 HB3 CYS 43 HB3 CYS 43 -24.897 6.219 -4.753 316 H THR 44 H THR 44 -26.420 5.243 -2.281 317 HA THR 44 HA THR 44 -25.331 6.718 0.004 318 HB THR 44 HB THR 44 -26.493 3.928 -0.110 319 HG1 THR 44 HG1 THR 44 -28.346 4.887 0.224 320 HG21 THR 44 HG21 THR 44 -25.453 3.649 1.851 321 HG22 THR 44 HG22 THR 44 -26.568 4.851 2.503 322 HG23 THR 44 HG23 THR 44 -24.978 5.346 1.922 323 H ARG 45 H ARG 45 -23.320 6.408 0.751 324 HA ARG 45 HA ARG 45 -21.806 4.067 -0.157 325 HB2 ARG 45 HB2 ARG 45 -19.928 5.349 -0.845 326 HB3 ARG 45 HB3 ARG 45 -21.331 6.073 -1.619 327 HG2 ARG 45 HG2 ARG 45 -21.362 7.847 0.031 328 HG3 ARG 45 HG3 ARG 45 -20.009 7.101 0.883 329 HD2 ARG 45 HD2 ARG 45 -19.902 8.049 -1.976 330 HD3 ARG 45 HD3 ARG 45 -19.372 9.008 -0.595 331 HE ARG 45 HE ARG 45 -18.138 6.411 -0.780 332 HH11 ARG 45 HH11 ARG 45 -17.969 9.758 -1.722 333 HH12 ARG 45 HH12 ARG 45 -16.262 9.726 -2.012 334 HH21 ARG 45 HH21 ARG 45 -15.889 6.355 -1.159 335 HH22 ARG 45 HH22 ARG 45 -15.079 7.789 -1.692 336 H ASN 46 H ASN 46 -19.719 3.841 1.074 337 HA ASN 46 HA ASN 46 -20.273 4.026 3.872 338 HB2 ASN 46 HB2 ASN 46 -17.657 3.257 2.567 339 HB3 ASN 46 HB3 ASN 46 -18.204 2.840 4.189 340 HD21 ASN 46 HD21 ASN 46 -18.486 2.169 0.804 341 HD22 ASN 46 HD22 ASN 46 -19.381 0.700 0.958 342 H CYS 47 H CYS 47 -19.512 5.423 5.365 343 HA CYS 47 HA CYS 47 -17.284 7.166 4.833 344 HB2 CYS 47 HB2 CYS 47 -18.397 9.239 4.800 345 HB3 CYS 47 HB3 CYS 47 -19.338 8.224 3.711 Start of MODEL 18 1 H1 LYS 1 H LYS 1 -19.193 3.811 8.698 2 HA LYS 1 HA LYS 1 -21.860 4.997 9.009 3 HB2 LYS 1 HB2 LYS 1 -19.846 6.137 10.009 4 HB3 LYS 1 HB3 LYS 1 -19.271 6.415 8.371 5 HG2 LYS 1 HG2 LYS 1 -20.389 8.379 9.304 6 HG3 LYS 1 HG3 LYS 1 -21.225 7.758 7.879 7 HD2 LYS 1 HD2 LYS 1 -23.087 7.308 9.040 8 HD3 LYS 1 HD3 LYS 1 -22.182 6.587 10.374 9 HE2 LYS 1 HE2 LYS 1 -21.809 9.455 10.251 10 HE3 LYS 1 HE3 LYS 1 -23.515 9.028 10.380 11 HZ1 LYS 1 HZ1 LYS 1 -22.338 9.317 12.540 12 HZ2 LYS 1 HZ2 LYS 1 -21.421 7.942 12.178 13 HZ3 LYS 1 HZ3 LYS 1 -23.099 7.817 12.359 14 H THR 2 H THR 2 -22.642 6.414 7.278 15 HA THR 2 HA THR 2 -21.561 5.883 4.620 16 HB THR 2 HB THR 2 -23.961 5.441 3.814 17 HG1 THR 2 HG1 THR 2 -24.214 5.151 6.611 18 HG21 THR 2 HG21 THR 2 -22.396 3.680 3.648 19 HG22 THR 2 HG22 THR 2 -23.784 2.992 4.492 20 HG23 THR 2 HG23 THR 2 -22.343 3.457 5.396 21 H CYS 3 H CYS 3 -22.178 7.399 3.045 22 HA CYS 3 HA CYS 3 -23.647 9.741 4.061 23 HB2 CYS 3 HB2 CYS 3 -21.099 9.680 2.441 24 HB3 CYS 3 HB3 CYS 3 -22.092 11.124 2.617 25 H GLU 4 H GLU 4 -24.667 11.058 2.415 26 HA GLU 4 HA GLU 4 -25.309 9.519 -0.015 27 HB2 GLU 4 HB2 GLU 4 -27.095 9.980 1.891 28 HB3 GLU 4 HB3 GLU 4 -27.224 11.531 1.073 29 HG2 GLU 4 HG2 GLU 4 -28.818 10.412 -0.069 30 HG3 GLU 4 HG3 GLU 4 -27.428 9.960 -1.054 31 H ASN 5 H ASN 5 -25.316 10.566 -1.957 32 HA ASN 5 HA ASN 5 -24.862 13.459 -1.988 33 HB2 ASN 5 HB2 ASN 5 -23.037 13.192 -3.639 34 HB3 ASN 5 HB3 ASN 5 -22.633 12.480 -2.079 35 HD21 ASN 5 HD21 ASN 5 -21.883 10.486 -2.078 36 HD22 ASN 5 HD22 ASN 5 -22.014 9.354 -3.376 37 H LEU 6 H LEU 6 -25.595 14.509 -3.825 38 HA LEU 6 HA LEU 6 -27.683 13.207 -5.256 39 HB2 LEU 6 HB2 LEU 6 -26.457 15.917 -5.255 40 HB3 LEU 6 HB3 LEU 6 -27.445 15.448 -6.637 41 HG LEU 6 HG LEU 6 -28.350 15.562 -3.760 42 HD11 LEU 6 HD11 LEU 6 -28.427 17.458 -6.015 43 HD12 LEU 6 HD12 LEU 6 -28.437 17.754 -4.277 44 HD13 LEU 6 HD13 LEU 6 -29.923 17.280 -5.099 45 HD21 LEU 6 HD21 LEU 6 -29.662 14.612 -6.277 46 HD22 LEU 6 HD22 LEU 6 -30.623 15.298 -4.966 47 HD23 LEU 6 HD23 LEU 6 -29.635 13.865 -4.679 48 H SER 7 H SER 7 -27.645 12.187 -7.156 49 HA SER 7 HA SER 7 -25.103 11.916 -8.536 50 HB2 SER 7 HB2 SER 7 -26.928 10.062 -7.983 51 HB3 SER 7 HB3 SER 7 -27.585 10.590 -9.532 52 HG SER 7 HG SER 7 -24.845 10.038 -9.337 53 H ASP 8 H ASP 8 -24.556 13.085 -10.243 54 HA ASP 8 HA ASP 8 -26.610 14.661 -11.605 55 HB2 ASP 8 HB2 ASP 8 -24.550 15.762 -12.663 56 HB3 ASP 8 HB3 ASP 8 -24.812 16.031 -10.942 57 H SER 9 H SER 9 -24.455 11.999 -12.098 58 HA SER 9 HA SER 9 -24.680 12.051 -14.981 59 HB2 SER 9 HB2 SER 9 -23.364 9.970 -14.899 60 HB3 SER 9 HB3 SER 9 -22.613 11.239 -13.931 61 HG SER 9 HG SER 9 -22.622 9.361 -12.730 62 H PHE 10 H PHE 10 -26.568 10.955 -12.418 63 HA PHE 10 HA PHE 10 -27.749 8.722 -13.846 64 HB2 PHE 10 HB2 PHE 10 -27.446 8.611 -11.398 65 HB3 PHE 10 HB3 PHE 10 -28.535 9.982 -11.209 66 HD1 PHE 10 HD1 PHE 10 -30.930 9.737 -11.682 67 HD2 PHE 10 HD2 PHE 10 -28.271 6.417 -11.821 68 HE1 PHE 10 HE1 PHE 10 -32.850 8.200 -11.586 69 HE2 PHE 10 HE2 PHE 10 -30.186 4.875 -11.726 70 HZ PHE 10 HZ PHE 10 -32.479 5.766 -11.609 71 H LYS 11 H LYS 11 -29.279 8.996 -15.314 72 HA LYS 11 HA LYS 11 -31.324 11.047 -14.894 73 HB2 LYS 11 HB2 LYS 11 -29.363 10.953 -17.104 74 HB3 LYS 11 HB3 LYS 11 -31.032 11.239 -17.582 75 HG2 LYS 11 HG2 LYS 11 -30.100 13.365 -17.299 76 HG3 LYS 11 HG3 LYS 11 -31.055 13.087 -15.841 77 HD2 LYS 11 HD2 LYS 11 -29.256 13.302 -14.548 78 HD3 LYS 11 HD3 LYS 11 -28.369 12.106 -15.495 79 HE2 LYS 11 HE2 LYS 11 -28.658 14.687 -16.834 80 HE3 LYS 11 HE3 LYS 11 -27.765 14.776 -15.316 81 HZ1 LYS 11 HZ1 LYS 11 -26.961 13.682 -17.830 82 HZ2 LYS 11 HZ2 LYS 11 -26.750 12.575 -16.569 83 HZ3 LYS 11 HZ3 LYS 11 -26.020 14.098 -16.487 84 H GLY 12 H GLY 12 -32.972 10.785 -16.887 85 HA2 GLY 12 HA2 GLY 12 -34.367 9.387 -18.113 86 HA3 GLY 12 HA3 GLY 12 -33.307 8.039 -17.730 87 HA PRO 13 HA PRO 13 -37.307 7.800 -15.269 88 HB2 PRO 13 HB2 PRO 13 -38.136 5.419 -16.275 89 HB3 PRO 13 HB3 PRO 13 -38.554 6.971 -17.011 90 HG2 PRO 13 HG2 PRO 13 -36.418 5.022 -17.785 91 HG3 PRO 13 HG3 PRO 13 -37.538 5.924 -18.822 92 HD2 PRO 13 HD2 PRO 13 -34.968 6.687 -18.445 93 HD3 PRO 13 HD3 PRO 13 -36.279 7.852 -18.720 94 H CYS 14 H CYS 14 -37.939 5.971 -13.801 95 HA CYS 14 HA CYS 14 -35.622 4.301 -13.087 96 HB2 CYS 14 HB2 CYS 14 -37.393 5.902 -11.235 97 HB3 CYS 14 HB3 CYS 14 -36.289 4.648 -10.681 98 H ILE 15 H ILE 15 -36.220 2.446 -11.671 99 HA ILE 15 HA ILE 15 -38.991 1.554 -12.015 100 HB ILE 15 HB ILE 15 -37.960 -0.779 -12.517 101 HG12 ILE 15 HG12 ILE 15 -35.754 1.064 -13.462 102 HG13 ILE 15 HG13 ILE 15 -35.623 -0.137 -12.182 103 HG21 ILE 15 HG21 ILE 15 -39.403 0.460 -14.042 104 HG22 ILE 15 HG22 ILE 15 -38.018 1.391 -14.610 105 HG23 ILE 15 HG23 ILE 15 -38.101 -0.343 -14.920 106 HD11 ILE 15 HD11 ILE 15 -34.707 -1.312 -13.885 107 HD12 ILE 15 HD12 ILE 15 -36.398 -1.746 -14.138 108 HD13 ILE 15 HD13 ILE 15 -35.655 -0.482 -15.119 109 HA PRO 16 HA PRO 16 -38.666 -0.052 -7.944 110 HB2 PRO 16 HB2 PRO 16 -40.107 -2.347 -8.099 111 HB3 PRO 16 HB3 PRO 16 -40.848 -0.743 -8.142 112 HG2 PRO 16 HG2 PRO 16 -40.196 -2.589 -10.406 113 HG3 PRO 16 HG3 PRO 16 -41.654 -1.615 -10.141 114 HD2 PRO 16 HD2 PRO 16 -39.681 -0.855 -11.833 115 HD3 PRO 16 HD3 PRO 16 -40.660 0.312 -10.921 116 H ASP 17 H ASP 17 -38.103 -2.067 -6.663 117 HA ASP 17 HA ASP 17 -36.697 -3.787 -6.151 118 HB2 ASP 17 HB2 ASP 17 -36.172 -4.278 -9.067 119 HB3 ASP 17 HB3 ASP 17 -36.226 -5.436 -7.741 120 H GLY 18 H GLY 18 -35.776 -1.069 -6.497 121 HA2 GLY 18 HA2 GLY 18 -33.789 0.078 -6.415 122 HA3 GLY 18 HA3 GLY 18 -32.999 -1.484 -6.256 123 H ASN 19 H ASN 19 -33.542 1.186 -8.264 124 HA ASN 19 HA ASN 19 -32.326 -0.235 -10.542 125 HB2 ASN 19 HB2 ASN 19 -33.629 0.927 -12.042 126 HB3 ASN 19 HB3 ASN 19 -34.745 0.834 -10.683 127 HD21 ASN 19 HD21 ASN 19 -33.361 2.844 -12.906 128 HD22 ASN 19 HD22 ASN 19 -33.655 4.361 -12.134 129 H CYS 20 H CYS 20 -32.308 2.612 -8.514 130 HA CYS 20 HA CYS 20 -30.210 3.921 -10.000 131 HB2 CYS 20 HB2 CYS 20 -32.012 5.106 -8.659 132 HB3 CYS 20 HB3 CYS 20 -31.154 4.588 -7.211 133 H ASN 21 H ASN 21 -30.362 1.455 -7.698 134 HA ASN 21 HA ASN 21 -27.930 1.975 -6.304 135 HB2 ASN 21 HB2 ASN 21 -28.151 -0.502 -5.692 136 HB3 ASN 21 HB3 ASN 21 -29.458 0.565 -5.184 137 HD21 ASN 21 HD21 ASN 21 -30.092 -1.962 -5.189 138 HD22 ASN 21 HD22 ASN 21 -31.066 -2.396 -6.549 139 H LYS 22 H LYS 22 -28.761 -0.471 -8.766 140 HA LYS 22 HA LYS 22 -26.250 -1.509 -9.204 141 HB2 LYS 22 HB2 LYS 22 -27.047 -2.274 -11.335 142 HB3 LYS 22 HB3 LYS 22 -28.385 -2.346 -10.197 143 HG2 LYS 22 HG2 LYS 22 -29.233 -0.217 -11.099 144 HG3 LYS 22 HG3 LYS 22 -27.922 -0.223 -12.282 145 HD2 LYS 22 HD2 LYS 22 -28.756 -2.271 -13.255 146 HD3 LYS 22 HD3 LYS 22 -29.999 -2.395 -12.008 147 HE2 LYS 22 HE2 LYS 22 -31.109 -0.443 -12.825 148 HE3 LYS 22 HE3 LYS 22 -29.781 -0.083 -13.928 149 HZ1 LYS 22 HZ1 LYS 22 -31.081 -1.136 -15.400 150 HZ2 LYS 22 HZ2 LYS 22 -31.968 -1.958 -14.217 151 HZ3 LYS 22 HZ3 LYS 22 -30.459 -2.548 -14.706 152 H HIS 23 H HIS 23 -27.619 1.491 -10.394 153 HA HIS 23 HA HIS 23 -25.665 2.068 -12.343 154 HB2 HIS 23 HB2 HIS 23 -27.994 3.206 -11.733 155 HB3 HIS 23 HB3 HIS 23 -26.945 4.296 -10.832 156 HD1 HIS 23 HD1 HIS 23 -25.960 6.167 -12.130 157 HD2 HIS 23 HD2 HIS 23 -27.238 3.069 -14.586 158 HE1 HIS 23 HE1 HIS 23 -25.649 7.001 -14.482 159 H CYS 24 H CYS 24 -26.043 3.625 -9.153 160 HA CYS 24 HA CYS 24 -23.459 4.747 -9.144 161 HB2 CYS 24 HB2 CYS 24 -25.626 4.367 -7.141 162 HB3 CYS 24 HB3 CYS 24 -24.013 4.718 -6.528 163 H LYS 25 H LYS 25 -24.511 1.569 -8.611 164 HA LYS 25 HA LYS 25 -22.256 0.837 -6.925 165 HB2 LYS 25 HB2 LYS 25 -24.643 -0.638 -8.001 166 HB3 LYS 25 HB3 LYS 25 -23.286 -1.513 -7.305 167 HG2 LYS 25 HG2 LYS 25 -23.606 0.005 -5.264 168 HG3 LYS 25 HG3 LYS 25 -25.179 0.384 -5.970 169 HD2 LYS 25 HD2 LYS 25 -25.855 -1.406 -4.775 170 HD3 LYS 25 HD3 LYS 25 -25.202 -2.312 -6.142 171 HE2 LYS 25 HE2 LYS 25 -23.021 -1.800 -4.467 172 HE3 LYS 25 HE3 LYS 25 -24.340 -2.260 -3.392 173 HZ1 LYS 25 HZ1 LYS 25 -23.439 -4.283 -3.930 174 HZ2 LYS 25 HZ2 LYS 25 -23.039 -3.828 -5.509 175 HZ3 LYS 25 HZ3 LYS 25 -24.648 -4.162 -5.108 176 H GLU 26 H GLU 26 -23.166 0.828 -10.259 177 HA GLU 26 HA GLU 26 -20.972 -0.970 -10.970 178 HB2 GLU 26 HB2 GLU 26 -23.301 0.167 -12.493 179 HB3 GLU 26 HB3 GLU 26 -21.940 -0.564 -13.331 180 HG2 GLU 26 HG2 GLU 26 -22.318 -2.650 -12.094 181 HG3 GLU 26 HG3 GLU 26 -23.713 -1.913 -11.308 182 H LYS 27 H LYS 27 -21.720 2.353 -10.767 183 HA LYS 27 HA LYS 27 -19.476 3.060 -12.530 184 HB2 LYS 27 HB2 LYS 27 -21.603 4.886 -11.403 185 HB3 LYS 27 HB3 LYS 27 -20.408 5.290 -12.629 186 HG2 LYS 27 HG2 LYS 27 -21.573 3.241 -13.865 187 HG3 LYS 27 HG3 LYS 27 -22.929 3.761 -12.861 188 HD2 LYS 27 HD2 LYS 27 -21.368 5.473 -14.796 189 HD3 LYS 27 HD3 LYS 27 -23.010 4.865 -15.023 190 HE2 LYS 27 HE2 LYS 27 -23.711 6.137 -13.019 191 HE3 LYS 27 HE3 LYS 27 -22.082 6.801 -12.904 192 HZ1 LYS 27 HZ1 LYS 27 -23.980 8.081 -14.143 193 HZ2 LYS 27 HZ2 LYS 27 -23.523 7.092 -15.437 194 HZ3 LYS 27 HZ3 LYS 27 -22.389 8.121 -14.718 195 H GLU 28 H GLU 28 -20.922 4.517 -9.615 196 HA GLU 28 HA GLU 28 -18.317 5.369 -8.707 197 HB2 GLU 28 HB2 GLU 28 -21.134 5.823 -7.866 198 HB3 GLU 28 HB3 GLU 28 -19.885 6.018 -6.644 199 HG2 GLU 28 HG2 GLU 28 -19.563 7.371 -9.277 200 HG3 GLU 28 HG3 GLU 28 -20.676 8.044 -8.087 201 H HIS 29 H HIS 29 -19.907 2.504 -8.565 202 HA HIS 29 HA HIS 29 -19.829 0.652 -7.234 203 HB2 HIS 29 HB2 HIS 29 -17.118 1.898 -6.915 204 HB3 HIS 29 HB3 HIS 29 -17.527 0.436 -6.021 205 HD1 HIS 29 HD1 HIS 29 -18.020 -1.717 -7.461 206 HD2 HIS 29 HD2 HIS 29 -16.542 1.532 -9.588 207 HE1 HIS 29 HE1 HIS 29 -17.274 -2.646 -9.675 208 H LEU 30 H LEU 30 -21.321 2.609 -6.059 209 HA LEU 30 HA LEU 30 -20.447 2.926 -3.306 210 HB2 LEU 30 HB2 LEU 30 -23.048 3.759 -4.579 211 HB3 LEU 30 HB3 LEU 30 -22.417 4.285 -3.020 212 HG LEU 30 HG LEU 30 -21.331 4.984 -5.745 213 HD11 LEU 30 HD11 LEU 30 -23.113 6.396 -5.456 214 HD12 LEU 30 HD12 LEU 30 -21.830 7.323 -4.679 215 HD13 LEU 30 HD13 LEU 30 -22.968 6.400 -3.698 216 HD21 LEU 30 HD21 LEU 30 -19.367 5.340 -4.775 217 HD22 LEU 30 HD22 LEU 30 -20.014 4.881 -3.199 218 HD23 LEU 30 HD23 LEU 30 -20.135 6.553 -3.749 219 H LEU 31 H LEU 31 -22.926 2.829 -2.011 220 HA LEU 31 HA LEU 31 -23.214 -0.041 -1.716 221 HB2 LEU 31 HB2 LEU 31 -24.347 2.296 -0.194 222 HB3 LEU 31 HB3 LEU 31 -24.725 0.616 0.182 223 HG LEU 31 HG LEU 31 -21.973 1.851 0.300 224 HD11 LEU 31 HD11 LEU 31 -23.620 0.949 2.636 225 HD12 LEU 31 HD12 LEU 31 -23.732 2.593 2.011 226 HD13 LEU 31 HD13 LEU 31 -22.192 1.984 2.617 227 HD21 LEU 31 HD21 LEU 31 -22.980 -0.863 1.151 228 HD22 LEU 31 HD22 LEU 31 -21.354 -0.235 1.422 229 HD23 LEU 31 HD23 LEU 31 -21.924 -0.528 -0.222 230 H SER 32 H SER 32 -25.405 2.719 -2.256 231 HA SER 32 HA SER 32 -26.973 1.249 -4.141 232 HB2 SER 32 HB2 SER 32 -29.058 1.166 -2.891 233 HB3 SER 32 HB3 SER 32 -27.811 0.291 -2.003 234 HG SER 32 HG SER 32 -29.007 1.676 -0.638 235 H GLY 33 H GLY 33 -29.224 2.603 -4.357 236 HA2 GLY 33 HA2 GLY 33 -28.821 5.445 -3.968 237 HA3 GLY 33 HA3 GLY 33 -28.724 4.917 -5.642 238 H ARG 34 H ARG 34 -30.628 6.744 -4.793 239 HA ARG 34 HA ARG 34 -33.060 5.272 -5.427 240 HB2 ARG 34 HB2 ARG 34 -33.076 7.224 -3.133 241 HB3 ARG 34 HB3 ARG 34 -34.337 6.095 -3.611 242 HG2 ARG 34 HG2 ARG 34 -32.649 4.258 -3.039 243 HG3 ARG 34 HG3 ARG 34 -31.747 5.532 -2.216 244 HD2 ARG 34 HD2 ARG 34 -33.161 5.550 -0.488 245 HD3 ARG 34 HD3 ARG 34 -34.573 5.559 -1.544 246 HE ARG 34 HE ARG 34 -33.393 3.285 -0.251 247 HH11 ARG 34 HH11 ARG 34 -35.299 4.353 -2.961 248 HH12 ARG 34 HH12 ARG 34 -36.077 2.821 -3.185 249 HH21 ARG 34 HH21 ARG 34 -34.410 1.264 -0.535 250 HH22 ARG 34 HH22 ARG 34 -35.571 1.065 -1.804 251 H CYS 35 H CYS 35 -34.460 6.410 -6.676 252 HA CYS 35 HA CYS 35 -33.536 8.961 -7.687 253 HB2 CYS 35 HB2 CYS 35 -36.088 7.611 -8.522 254 HB3 CYS 35 HB3 CYS 35 -35.028 8.651 -9.469 255 H ARG 36 H ARG 36 -35.346 10.622 -8.173 256 HA ARG 36 HA ARG 36 -37.268 10.824 -5.979 257 HB2 ARG 36 HB2 ARG 36 -35.134 12.864 -6.604 258 HB3 ARG 36 HB3 ARG 36 -36.575 13.244 -5.671 259 HG2 ARG 36 HG2 ARG 36 -35.811 11.209 -4.219 260 HG3 ARG 36 HG3 ARG 36 -34.239 11.549 -4.945 261 HD2 ARG 36 HD2 ARG 36 -33.928 13.306 -3.617 262 HD3 ARG 36 HD3 ARG 36 -35.500 13.979 -4.047 263 HE ARG 36 HE ARG 36 -35.931 11.896 -2.247 264 HH11 ARG 36 HH11 ARG 36 -34.435 15.038 -2.314 265 HH12 ARG 36 HH12 ARG 36 -34.726 15.357 -0.637 266 HH21 ARG 36 HH21 ARG 36 -36.320 12.303 -0.037 267 HH22 ARG 36 HH22 ARG 36 -35.798 13.800 0.658 268 H ASP 37 H ASP 37 -38.604 12.943 -6.323 269 HA ASP 37 HA ASP 37 -39.731 12.748 -8.961 270 HB2 ASP 37 HB2 ASP 37 -41.221 13.004 -7.068 271 HB3 ASP 37 HB3 ASP 37 -40.430 14.507 -6.603 272 H ASP 38 H ASP 38 -37.398 14.722 -7.433 273 HA ASP 38 HA ASP 38 -37.713 16.906 -9.338 274 HB2 ASP 38 HB2 ASP 38 -35.652 17.781 -8.019 275 HB3 ASP 38 HB3 ASP 38 -37.226 17.769 -7.228 276 H PHE 39 H PHE 39 -36.904 14.227 -10.219 277 HA PHE 39 HA PHE 39 -35.410 13.226 -11.613 278 HB2 PHE 39 HB2 PHE 39 -35.317 16.094 -12.252 279 HB3 PHE 39 HB3 PHE 39 -33.894 15.194 -12.768 280 HD1 PHE 39 HD1 PHE 39 -37.600 15.208 -12.962 281 HD2 PHE 39 HD2 PHE 39 -33.940 13.934 -14.721 282 HE1 PHE 39 HE1 PHE 39 -38.832 14.407 -14.936 283 HE2 PHE 39 HE2 PHE 39 -35.165 13.132 -16.698 284 HZ PHE 39 HZ PHE 39 -37.614 13.368 -16.808 285 H ARG 40 H ARG 40 -34.618 13.924 -8.809 286 HA ARG 40 HA ARG 40 -31.694 13.955 -9.145 287 HB2 ARG 40 HB2 ARG 40 -33.299 14.541 -6.651 288 HB3 ARG 40 HB3 ARG 40 -31.557 14.701 -6.833 289 HG2 ARG 40 HG2 ARG 40 -32.869 16.230 -8.863 290 HG3 ARG 40 HG3 ARG 40 -33.530 16.646 -7.280 291 HD2 ARG 40 HD2 ARG 40 -30.919 16.610 -6.675 292 HD3 ARG 40 HD3 ARG 40 -30.814 17.053 -8.378 293 HE ARG 40 HE ARG 40 -32.703 18.615 -6.866 294 HH11 ARG 40 HH11 ARG 40 -29.391 18.303 -7.892 295 HH12 ARG 40 HH12 ARG 40 -29.037 19.988 -7.703 296 HH21 ARG 40 HH21 ARG 40 -32.250 20.836 -6.614 297 HH22 ARG 40 HH22 ARG 40 -30.664 21.428 -6.976 298 H CYS 41 H CYS 41 -30.444 12.344 -8.292 299 HA CYS 41 HA CYS 41 -31.852 10.118 -6.974 300 HB2 CYS 41 HB2 CYS 41 -31.055 9.887 -9.497 301 HB3 CYS 41 HB3 CYS 41 -29.507 9.547 -8.729 302 H TRP 42 H TRP 42 -31.098 9.848 -4.991 303 HA TRP 42 HA TRP 42 -28.426 10.791 -4.307 304 HB2 TRP 42 HB2 TRP 42 -30.764 9.853 -2.645 305 HB3 TRP 42 HB3 TRP 42 -29.185 10.211 -1.951 306 HD1 TRP 42 HD1 TRP 42 -32.123 11.958 -3.724 307 HE1 TRP 42 HE1 TRP 42 -32.037 14.466 -3.151 308 HE3 TRP 42 HE3 TRP 42 -27.685 12.059 -1.189 309 HZ2 TRP 42 HZ2 TRP 42 -30.315 16.250 -1.803 310 HZ3 TRP 42 HZ3 TRP 42 -26.889 14.207 -0.290 311 HH2 TRP 42 HH2 TRP 42 -28.178 16.258 -0.592 312 H CYS 43 H CYS 43 -26.743 9.509 -3.779 313 HA CYS 43 HA CYS 43 -27.210 6.599 -3.797 314 HB2 CYS 43 HB2 CYS 43 -24.719 8.063 -4.693 315 HB3 CYS 43 HB3 CYS 43 -24.991 6.325 -4.767 316 H THR 44 H THR 44 -26.454 5.424 -2.132 317 HA THR 44 HA THR 44 -25.190 6.874 0.068 318 HB THR 44 HB THR 44 -26.312 4.066 0.063 319 HG1 THR 44 HG1 THR 44 -28.171 4.970 0.864 320 HG21 THR 44 HG21 THR 44 -25.262 3.936 2.034 321 HG22 THR 44 HG22 THR 44 -26.422 5.127 2.623 322 HG23 THR 44 HG23 THR 44 -24.853 5.650 2.011 323 H ARG 45 H ARG 45 -23.135 6.576 0.671 324 HA ARG 45 HA ARG 45 -21.699 4.198 -0.261 325 HB2 ARG 45 HB2 ARG 45 -19.848 5.453 -1.090 326 HB3 ARG 45 HB3 ARG 45 -21.296 6.122 -1.830 327 HG2 ARG 45 HG2 ARG 45 -21.270 7.978 -0.270 328 HG3 ARG 45 HG3 ARG 45 -19.862 7.293 0.544 329 HD2 ARG 45 HD2 ARG 45 -19.923 8.094 -2.361 330 HD3 ARG 45 HD3 ARG 45 -19.332 9.128 -1.061 331 HE ARG 45 HE ARG 45 -18.075 6.536 -1.192 332 HH11 ARG 45 HH11 ARG 45 -17.998 9.844 -2.275 333 HH12 ARG 45 HH12 ARG 45 -16.306 9.819 -2.648 334 HH21 ARG 45 HH21 ARG 45 -15.848 6.491 -1.679 335 HH22 ARG 45 HH22 ARG 45 -15.084 7.911 -2.310 336 H ASN 46 H ASN 46 -19.714 3.780 0.920 337 HA ASN 46 HA ASN 46 -20.030 4.153 3.707 338 HB2 ASN 46 HB2 ASN 46 -17.526 3.255 2.270 339 HB3 ASN 46 HB3 ASN 46 -17.971 2.921 3.941 340 HD21 ASN 46 HD21 ASN 46 -18.537 2.141 0.610 341 HD22 ASN 46 HD22 ASN 46 -19.450 0.701 0.890 342 H CYS 47 H CYS 47 -19.149 5.579 5.101 343 HA CYS 47 HA CYS 47 -16.900 7.227 4.390 344 HB2 CYS 47 HB2 CYS 47 -17.940 9.327 4.305 345 HB3 CYS 47 HB3 CYS 47 -18.996 8.300 3.340 Start of MODEL 19 1 H1 LYS 1 H LYS 1 -19.120 3.852 8.385 2 HA LYS 1 HA LYS 1 -21.554 5.232 9.171 3 HB2 LYS 1 HB2 LYS 1 -19.633 6.504 10.186 4 HB3 LYS 1 HB3 LYS 1 -19.052 6.808 8.554 5 HG2 LYS 1 HG2 LYS 1 -20.301 8.705 9.457 6 HG3 LYS 1 HG3 LYS 1 -21.078 8.024 8.025 7 HD2 LYS 1 HD2 LYS 1 -22.697 6.876 9.390 8 HD3 LYS 1 HD3 LYS 1 -21.864 7.374 10.864 9 HE2 LYS 1 HE2 LYS 1 -22.944 9.319 10.894 10 HE3 LYS 1 HE3 LYS 1 -22.490 9.658 9.225 11 HZ1 LYS 1 HZ1 LYS 1 -24.647 9.434 8.789 12 HZ2 LYS 1 HZ2 LYS 1 -24.981 8.708 10.279 13 HZ3 LYS 1 HZ3 LYS 1 -24.425 7.769 8.987 14 H THR 2 H THR 2 -22.419 6.588 7.434 15 HA THR 2 HA THR 2 -21.287 6.133 4.783 16 HB THR 2 HB THR 2 -23.644 5.525 3.961 17 HG1 THR 2 HG1 THR 2 -25.116 5.159 5.437 18 HG21 THR 2 HG21 THR 2 -21.965 3.874 3.806 19 HG22 THR 2 HG22 THR 2 -23.303 3.093 4.649 20 HG23 THR 2 HG23 THR 2 -21.901 3.661 5.555 21 H CYS 3 H CYS 3 -22.009 7.596 3.199 22 HA CYS 3 HA CYS 3 -23.633 9.836 4.210 23 HB2 CYS 3 HB2 CYS 3 -21.088 9.941 2.588 24 HB3 CYS 3 HB3 CYS 3 -22.176 11.315 2.757 25 H GLU 4 H GLU 4 -24.727 11.085 2.551 26 HA GLU 4 HA GLU 4 -25.285 9.487 0.138 27 HB2 GLU 4 HB2 GLU 4 -27.091 9.878 2.041 28 HB3 GLU 4 HB3 GLU 4 -27.302 11.409 1.203 29 HG2 GLU 4 HG2 GLU 4 -28.834 10.198 0.074 30 HG3 GLU 4 HG3 GLU 4 -27.421 9.798 -0.902 31 H ASN 5 H ASN 5 -25.346 10.506 -1.816 32 HA ASN 5 HA ASN 5 -25.070 13.418 -1.894 33 HB2 ASN 5 HB2 ASN 5 -23.197 13.262 -3.491 34 HB3 ASN 5 HB3 ASN 5 -22.778 12.572 -1.926 35 HD21 ASN 5 HD21 ASN 5 -22.374 10.406 -1.750 36 HD22 ASN 5 HD22 ASN 5 -22.228 9.358 -3.116 37 H LEU 6 H LEU 6 -25.825 14.383 -3.773 38 HA LEU 6 HA LEU 6 -27.811 12.935 -5.201 39 HB2 LEU 6 HB2 LEU 6 -26.711 15.699 -5.283 40 HB3 LEU 6 HB3 LEU 6 -27.667 15.134 -6.652 41 HG LEU 6 HG LEU 6 -28.592 15.325 -3.786 42 HD11 LEU 6 HD11 LEU 6 -30.243 16.920 -5.085 43 HD12 LEU 6 HD12 LEU 6 -28.868 17.061 -6.181 44 HD13 LEU 6 HD13 LEU 6 -28.689 17.495 -4.481 45 HD21 LEU 6 HD21 LEU 6 -29.848 14.194 -6.257 46 HD22 LEU 6 HD22 LEU 6 -30.842 14.880 -4.972 47 HD23 LEU 6 HD23 LEU 6 -29.777 13.516 -4.630 48 H SER 7 H SER 7 -27.692 11.857 -7.065 49 HA SER 7 HA SER 7 -25.116 11.651 -8.390 50 HB2 SER 7 HB2 SER 7 -26.878 9.744 -7.820 51 HB3 SER 7 HB3 SER 7 -27.525 10.202 -9.395 52 HG SER 7 HG SER 7 -24.888 9.334 -8.809 53 H ASP 8 H ASP 8 -24.577 12.767 -10.136 54 HA ASP 8 HA ASP 8 -26.654 14.245 -11.572 55 HB2 ASP 8 HB2 ASP 8 -24.582 15.338 -12.652 56 HB3 ASP 8 HB3 ASP 8 -24.920 15.700 -10.961 57 H SER 9 H SER 9 -24.627 11.514 -11.897 58 HA SER 9 HA SER 9 -24.623 11.499 -14.786 59 HB2 SER 9 HB2 SER 9 -23.226 9.645 -14.646 60 HB3 SER 9 HB3 SER 9 -22.846 10.489 -13.145 61 HG SER 9 HG SER 9 -23.335 8.637 -12.274 62 H PHE 10 H PHE 10 -26.687 10.442 -12.277 63 HA PHE 10 HA PHE 10 -27.987 8.393 -13.863 64 HB2 PHE 10 HB2 PHE 10 -27.692 8.275 -11.344 65 HB3 PHE 10 HB3 PHE 10 -28.923 9.528 -11.227 66 HD1 PHE 10 HD2 PHE 10 -28.311 6.102 -12.511 67 HD2 PHE 10 HD1 PHE 10 -31.184 8.975 -11.241 68 HE1 PHE 10 HE2 PHE 10 -30.065 4.378 -12.589 69 HE2 PHE 10 HE1 PHE 10 -32.942 7.255 -11.317 70 HZ PHE 10 HZ PHE 10 -32.384 4.954 -11.993 71 H LYS 11 H LYS 11 -29.673 8.703 -15.161 72 HA LYS 11 HA LYS 11 -31.496 10.926 -14.714 73 HB2 LYS 11 HB2 LYS 11 -29.543 10.795 -16.925 74 HB3 LYS 11 HB3 LYS 11 -31.188 11.197 -17.398 75 HG2 LYS 11 HG2 LYS 11 -30.372 13.283 -17.011 76 HG3 LYS 11 HG3 LYS 11 -30.984 12.902 -15.400 77 HD2 LYS 11 HD2 LYS 11 -28.471 11.879 -15.265 78 HD3 LYS 11 HD3 LYS 11 -28.221 13.253 -16.344 79 HE2 LYS 11 HE2 LYS 11 -29.900 13.917 -14.068 80 HE3 LYS 11 HE3 LYS 11 -28.313 13.325 -13.580 81 HZ1 LYS 11 HZ1 LYS 11 -28.537 15.796 -13.979 82 HZ2 LYS 11 HZ2 LYS 11 -28.638 15.435 -15.628 83 HZ3 LYS 11 HZ3 LYS 11 -27.247 15.026 -14.758 84 H GLY 12 H GLY 12 -33.170 10.861 -16.693 85 HA2 GLY 12 HA2 GLY 12 -34.657 9.614 -17.975 86 HA3 GLY 12 HA3 GLY 12 -33.693 8.181 -17.651 87 HA PRO 13 HA PRO 13 -37.683 8.345 -15.074 88 HB2 PRO 13 HB2 PRO 13 -39.067 6.423 -16.400 89 HB3 PRO 13 HB3 PRO 13 -39.166 8.138 -16.816 90 HG2 PRO 13 HG2 PRO 13 -37.556 5.968 -18.103 91 HG3 PRO 13 HG3 PRO 13 -38.497 7.263 -18.864 92 HD2 PRO 13 HD2 PRO 13 -35.806 7.387 -18.590 93 HD3 PRO 13 HD3 PRO 13 -36.838 8.830 -18.541 94 H CYS 14 H CYS 14 -36.634 7.398 -13.357 95 HA CYS 14 HA CYS 14 -35.660 4.685 -13.508 96 HB2 CYS 14 HB2 CYS 14 -34.397 6.189 -12.142 97 HB3 CYS 14 HB3 CYS 14 -35.834 6.687 -11.255 98 H ILE 15 H ILE 15 -37.169 3.138 -13.631 99 HA ILE 15 HA ILE 15 -39.779 3.180 -12.801 100 HB ILE 15 HB ILE 15 -39.587 0.664 -12.582 101 HG12 ILE 15 HG12 ILE 15 -37.352 -0.158 -13.632 102 HG13 ILE 15 HG13 ILE 15 -36.715 1.389 -13.085 103 HG21 ILE 15 HG21 ILE 15 -40.144 1.893 -14.678 104 HG22 ILE 15 HG22 ILE 15 -38.438 1.817 -15.116 105 HG23 ILE 15 HG23 ILE 15 -39.370 0.331 -14.942 106 HD11 ILE 15 HD11 ILE 15 -36.806 0.805 -10.895 107 HD12 ILE 15 HD12 ILE 15 -38.189 -0.266 -11.121 108 HD13 ILE 15 HD13 ILE 15 -36.578 -0.791 -11.608 109 HA PRO 16 HA PRO 16 -39.948 2.951 -8.422 110 HB2 PRO 16 HB2 PRO 16 -42.049 1.279 -8.020 111 HB3 PRO 16 HB3 PRO 16 -42.237 2.934 -8.613 112 HG2 PRO 16 HG2 PRO 16 -42.222 0.363 -10.147 113 HG3 PRO 16 HG3 PRO 16 -43.290 1.767 -10.327 114 HD2 PRO 16 HD2 PRO 16 -41.185 1.316 -11.971 115 HD3 PRO 16 HD3 PRO 16 -41.734 2.951 -11.549 116 H ASP 17 H ASP 17 -37.811 1.673 -8.686 117 HA ASP 17 HA ASP 17 -37.819 -0.454 -6.862 118 HB2 ASP 17 HB2 ASP 17 -38.757 -1.439 -9.151 119 HB3 ASP 17 HB3 ASP 17 -37.039 -1.546 -9.524 120 H GLY 18 H GLY 18 -35.575 -1.799 -7.290 121 HA2 GLY 18 HA2 GLY 18 -33.550 0.188 -6.949 122 HA3 GLY 18 HA3 GLY 18 -33.307 -1.553 -6.963 123 H ASN 19 H ASN 19 -33.792 1.255 -9.064 124 HA ASN 19 HA ASN 19 -32.435 -0.210 -11.225 125 HB2 ASN 19 HB2 ASN 19 -34.818 0.936 -11.440 126 HB3 ASN 19 HB3 ASN 19 -33.844 2.376 -11.723 127 HD21 ASN 19 HD21 ASN 19 -32.938 2.677 -13.663 128 HD22 ASN 19 HD22 ASN 19 -33.010 1.549 -14.970 129 H CYS 20 H CYS 20 -32.054 2.260 -8.946 130 HA CYS 20 HA CYS 20 -29.905 3.536 -10.491 131 HB2 CYS 20 HB2 CYS 20 -31.695 4.985 -9.498 132 HB3 CYS 20 HB3 CYS 20 -31.150 4.479 -7.903 133 H ASN 21 H ASN 21 -30.397 1.196 -8.167 134 HA ASN 21 HA ASN 21 -28.173 1.695 -6.456 135 HB2 ASN 21 HB2 ASN 21 -28.546 -0.592 -5.646 136 HB3 ASN 21 HB3 ASN 21 -30.064 0.296 -5.749 137 HD21 ASN 21 HD21 ASN 21 -29.466 -2.595 -5.797 138 HD22 ASN 21 HD22 ASN 21 -30.203 -3.190 -7.242 139 H LYS 22 H LYS 22 -28.696 -0.501 -9.203 140 HA LYS 22 HA LYS 22 -26.101 -1.605 -9.204 141 HB2 LYS 22 HB2 LYS 22 -26.647 -2.502 -11.362 142 HB3 LYS 22 HB3 LYS 22 -28.091 -2.580 -10.361 143 HG2 LYS 22 HG2 LYS 22 -29.105 -1.685 -12.139 144 HG3 LYS 22 HG3 LYS 22 -28.414 -0.167 -11.561 145 HD2 LYS 22 HD2 LYS 22 -26.562 -0.358 -13.058 146 HD3 LYS 22 HD3 LYS 22 -27.019 -2.004 -13.502 147 HE2 LYS 22 HE2 LYS 22 -28.723 0.427 -14.021 148 HE3 LYS 22 HE3 LYS 22 -27.612 -0.270 -15.198 149 HZ1 LYS 22 HZ1 LYS 22 -29.987 -1.587 -14.001 150 HZ2 LYS 22 HZ2 LYS 22 -28.868 -2.372 -14.998 151 HZ3 LYS 22 HZ3 LYS 22 -29.799 -1.099 -15.610 152 H HIS 23 H HIS 23 -27.407 1.347 -10.492 153 HA HIS 23 HA HIS 23 -25.364 1.922 -12.360 154 HB2 HIS 23 HB2 HIS 23 -27.732 3.040 -11.896 155 HB3 HIS 23 HB3 HIS 23 -26.753 4.141 -10.931 156 HD1 HIS 23 HD1 HIS 23 -25.634 5.993 -12.161 157 HD2 HIS 23 HD2 HIS 23 -26.874 2.946 -14.699 158 HE1 HIS 23 HE1 HIS 23 -25.206 6.842 -14.489 159 H CYS 24 H CYS 24 -25.924 3.448 -9.181 160 HA CYS 24 HA CYS 24 -23.394 4.657 -9.033 161 HB2 CYS 24 HB2 CYS 24 -25.600 4.100 -7.113 162 HB3 CYS 24 HB3 CYS 24 -24.025 4.508 -6.441 163 H LYS 25 H LYS 25 -24.346 1.418 -8.594 164 HA LYS 25 HA LYS 25 -22.066 0.738 -6.916 165 HB2 LYS 25 HB2 LYS 25 -24.437 -0.772 -7.964 166 HB3 LYS 25 HB3 LYS 25 -23.041 -1.642 -7.340 167 HG2 LYS 25 HG2 LYS 25 -23.308 -0.236 -5.236 168 HG3 LYS 25 HG3 LYS 25 -24.889 0.214 -5.879 169 HD2 LYS 25 HD2 LYS 25 -25.450 -1.607 -4.597 170 HD3 LYS 25 HD3 LYS 25 -25.163 -2.383 -6.156 171 HE2 LYS 25 HE2 LYS 25 -22.674 -2.237 -4.837 172 HE3 LYS 25 HE3 LYS 25 -23.846 -2.813 -3.653 173 HZ1 LYS 25 HZ1 LYS 25 -24.335 -4.670 -4.917 174 HZ2 LYS 25 HZ2 LYS 25 -22.666 -4.515 -5.138 175 HZ3 LYS 25 HZ3 LYS 25 -23.730 -4.002 -6.349 176 H GLU 26 H GLU 26 -22.986 0.753 -10.242 177 HA GLU 26 HA GLU 26 -20.762 -0.994 -10.987 178 HB2 GLU 26 HB2 GLU 26 -23.129 0.111 -12.469 179 HB3 GLU 26 HB3 GLU 26 -21.750 -0.541 -13.343 180 HG2 GLU 26 HG2 GLU 26 -22.039 -2.681 -12.188 181 HG3 GLU 26 HG3 GLU 26 -23.437 -2.024 -11.339 182 H LYS 27 H LYS 27 -21.581 2.314 -10.747 183 HA LYS 27 HA LYS 27 -19.354 3.090 -12.501 184 HB2 LYS 27 HB2 LYS 27 -21.511 4.850 -11.326 185 HB3 LYS 27 HB3 LYS 27 -20.324 5.311 -12.538 186 HG2 LYS 27 HG2 LYS 27 -21.438 3.282 -13.840 187 HG3 LYS 27 HG3 LYS 27 -22.806 3.723 -12.816 188 HD2 LYS 27 HD2 LYS 27 -23.127 5.014 -14.726 189 HD3 LYS 27 HD3 LYS 27 -22.340 6.132 -13.611 190 HE2 LYS 27 HE2 LYS 27 -20.417 6.196 -14.819 191 HE3 LYS 27 HE3 LYS 27 -20.576 4.527 -15.364 192 HZ1 LYS 27 HZ1 LYS 27 -21.888 5.125 -17.117 193 HZ2 LYS 27 HZ2 LYS 27 -20.911 6.502 -17.011 194 HZ3 LYS 27 HZ3 LYS 27 -22.475 6.524 -16.369 195 H GLU 28 H GLU 28 -20.797 4.491 -9.558 196 HA GLU 28 HA GLU 28 -18.192 5.345 -8.651 197 HB2 GLU 28 HB2 GLU 28 -21.009 5.772 -7.783 198 HB3 GLU 28 HB3 GLU 28 -19.743 5.982 -6.581 199 HG2 GLU 28 HG2 GLU 28 -19.357 7.325 -9.186 200 HG3 GLU 28 HG3 GLU 28 -20.614 7.962 -8.127 201 H HIS 29 H HIS 29 -19.820 2.484 -8.507 202 HA HIS 29 HA HIS 29 -19.751 0.630 -7.176 203 HB2 HIS 29 HB2 HIS 29 -17.023 1.636 -6.370 204 HB3 HIS 29 HB3 HIS 29 -17.570 -0.035 -6.476 205 HD1 HIS 29 HD1 HIS 29 -18.151 -0.836 -9.024 206 HD2 HIS 29 HD2 HIS 29 -15.756 2.531 -8.596 207 HE1 HIS 29 HE1 HIS 29 -17.011 -0.536 -11.245 208 H LEU 30 H LEU 30 -21.164 2.603 -5.946 209 HA LEU 30 HA LEU 30 -20.189 2.947 -3.238 210 HB2 LEU 30 HB2 LEU 30 -22.840 3.717 -4.448 211 HB3 LEU 30 HB3 LEU 30 -22.220 4.232 -2.880 212 HG LEU 30 HG LEU 30 -21.198 5.023 -5.603 213 HD11 LEU 30 HD11 LEU 30 -21.691 7.247 -4.007 214 HD12 LEU 30 HD12 LEU 30 -23.052 6.166 -3.712 215 HD13 LEU 30 HD13 LEU 30 -22.667 6.669 -5.358 216 HD21 LEU 30 HD21 LEU 30 -19.896 5.045 -2.968 217 HD22 LEU 30 HD22 LEU 30 -19.835 6.572 -3.850 218 HD23 LEU 30 HD23 LEU 30 -19.194 5.102 -4.586 219 H LEU 31 H LEU 31 -22.432 2.767 -1.707 220 HA LEU 31 HA LEU 31 -22.686 -0.083 -1.394 221 HB2 LEU 31 HB2 LEU 31 -23.781 2.267 0.130 222 HB3 LEU 31 HB3 LEU 31 -24.165 0.598 0.546 223 HG LEU 31 HG LEU 31 -21.398 1.804 0.553 224 HD11 LEU 31 HD11 LEU 31 -23.281 2.411 2.337 225 HD12 LEU 31 HD12 LEU 31 -21.586 2.199 2.776 226 HD13 LEU 31 HD13 LEU 31 -22.733 0.884 3.029 227 HD21 LEU 31 HD21 LEU 31 -20.797 -0.285 1.725 228 HD22 LEU 31 HD22 LEU 31 -21.332 -0.560 0.067 229 HD23 LEU 31 HD23 LEU 31 -22.420 -0.900 1.414 230 H SER 32 H SER 32 -24.981 2.593 -1.915 231 HA SER 32 HA SER 32 -26.589 1.016 -3.675 232 HB2 SER 32 HB2 SER 32 -28.563 0.782 -2.363 233 HB3 SER 32 HB3 SER 32 -27.241 0.191 -1.357 234 HG SER 32 HG SER 32 -28.960 2.170 -0.854 235 H GLY 33 H GLY 33 -28.922 2.319 -3.738 236 HA2 GLY 33 HA2 GLY 33 -28.641 5.160 -3.451 237 HA3 GLY 33 HA3 GLY 33 -28.467 4.638 -5.120 238 H ARG 34 H ARG 34 -30.476 6.351 -4.491 239 HA ARG 34 HA ARG 34 -32.821 4.701 -5.028 240 HB2 ARG 34 HB2 ARG 34 -32.973 6.907 -2.982 241 HB3 ARG 34 HB3 ARG 34 -34.182 5.685 -3.354 242 HG2 ARG 34 HG2 ARG 34 -32.392 4.005 -2.552 243 HG3 ARG 34 HG3 ARG 34 -31.645 5.416 -1.800 244 HD2 ARG 34 HD2 ARG 34 -32.984 4.786 -0.078 245 HD3 ARG 34 HD3 ARG 34 -34.140 5.788 -0.954 246 HE ARG 34 HE ARG 34 -34.385 3.218 -1.959 247 HH11 ARG 34 HH11 ARG 34 -34.817 4.847 1.087 248 HH12 ARG 34 HH12 ARG 34 -36.057 3.768 1.637 249 HH21 ARG 34 HH21 ARG 34 -36.016 1.791 -1.247 250 HH22 ARG 34 HH22 ARG 34 -36.737 2.030 0.308 251 H CYS 35 H CYS 35 -34.518 5.813 -6.095 252 HA CYS 35 HA CYS 35 -33.590 8.205 -7.507 253 HB2 CYS 35 HB2 CYS 35 -36.109 6.797 -8.263 254 HB3 CYS 35 HB3 CYS 35 -34.910 7.579 -9.288 255 H ARG 36 H ARG 36 -35.210 9.893 -8.004 256 HA ARG 36 HA ARG 36 -37.275 10.166 -5.935 257 HB2 ARG 36 HB2 ARG 36 -35.204 12.237 -6.677 258 HB3 ARG 36 HB3 ARG 36 -36.641 12.586 -5.724 259 HG2 ARG 36 HG2 ARG 36 -34.795 10.417 -4.846 260 HG3 ARG 36 HG3 ARG 36 -34.364 12.104 -4.557 261 HD2 ARG 36 HD2 ARG 36 -37.048 11.008 -3.780 262 HD3 ARG 36 HD3 ARG 36 -35.647 10.852 -2.721 263 HE ARG 36 HE ARG 36 -37.149 13.246 -3.276 264 HH11 ARG 36 HH11 ARG 36 -34.119 11.937 -2.169 265 HH12 ARG 36 HH12 ARG 36 -33.682 13.357 -1.278 266 HH21 ARG 36 HH21 ARG 36 -36.585 15.121 -2.107 267 HH22 ARG 36 HH22 ARG 36 -35.086 15.167 -1.242 268 H ASP 37 H ASP 37 -38.664 12.193 -6.461 269 HA ASP 37 HA ASP 37 -39.677 11.812 -9.127 270 HB2 ASP 37 HB2 ASP 37 -41.298 13.671 -8.341 271 HB3 ASP 37 HB3 ASP 37 -41.378 12.100 -7.548 272 H ASP 38 H ASP 38 -37.581 14.040 -7.547 273 HA ASP 38 HA ASP 38 -37.880 16.085 -9.588 274 HB2 ASP 38 HB2 ASP 38 -35.911 17.110 -8.235 275 HB3 ASP 38 HB3 ASP 38 -37.512 17.061 -7.503 276 H PHE 39 H PHE 39 -36.959 13.455 -10.392 277 HA PHE 39 HA PHE 39 -35.356 12.450 -11.660 278 HB2 PHE 39 HB2 PHE 39 -35.371 15.291 -12.418 279 HB3 PHE 39 HB3 PHE 39 -33.893 14.437 -12.849 280 HD1 PHE 39 HD1 PHE 39 -37.594 14.153 -13.103 281 HD2 PHE 39 HD2 PHE 39 -33.808 13.216 -14.807 282 HE1 PHE 39 HE1 PHE 39 -38.720 13.214 -15.079 283 HE2 PHE 39 HE2 PHE 39 -34.927 12.277 -16.787 284 HZ PHE 39 HZ PHE 39 -37.386 12.276 -16.925 285 H ARG 40 H ARG 40 -34.694 13.212 -8.872 286 HA ARG 40 HA ARG 40 -31.765 13.409 -9.107 287 HB2 ARG 40 HB2 ARG 40 -33.502 13.996 -6.702 288 HB3 ARG 40 HB3 ARG 40 -31.759 14.204 -6.797 289 HG2 ARG 40 HG2 ARG 40 -32.986 15.638 -8.938 290 HG3 ARG 40 HG3 ARG 40 -33.772 16.068 -7.417 291 HD2 ARG 40 HD2 ARG 40 -31.208 16.140 -6.632 292 HD3 ARG 40 HD3 ARG 40 -31.004 16.553 -8.334 293 HE ARG 40 HE ARG 40 -33.045 18.070 -6.977 294 HH11 ARG 40 HH11 ARG 40 -29.670 17.869 -7.810 295 HH12 ARG 40 HH12 ARG 40 -29.394 19.572 -7.645 296 HH21 ARG 40 HH21 ARG 40 -32.694 20.313 -6.757 297 HH22 ARG 40 HH22 ARG 40 -31.115 20.961 -7.045 298 H CYS 41 H CYS 41 -30.475 11.863 -8.222 299 HA CYS 41 HA CYS 41 -31.805 9.624 -6.847 300 HB2 CYS 41 HB2 CYS 41 -31.343 8.861 -9.075 301 HB3 CYS 41 HB3 CYS 41 -29.705 9.504 -9.015 302 H TRP 42 H TRP 42 -31.061 9.444 -4.849 303 HA TRP 42 HA TRP 42 -28.439 10.517 -4.169 304 HB2 TRP 42 HB2 TRP 42 -30.751 9.525 -2.501 305 HB3 TRP 42 HB3 TRP 42 -29.197 9.972 -1.804 306 HD1 TRP 42 HD1 TRP 42 -32.178 11.540 -3.673 307 HE1 TRP 42 HE1 TRP 42 -32.213 14.063 -3.163 308 HE3 TRP 42 HE3 TRP 42 -27.803 11.899 -1.054 309 HZ2 TRP 42 HZ2 TRP 42 -30.599 15.955 -1.828 310 HZ3 TRP 42 HZ3 TRP 42 -27.119 14.102 -0.195 311 HH2 TRP 42 HH2 TRP 42 -28.490 16.086 -0.576 312 H CYS 43 H CYS 43 -26.696 9.319 -3.696 313 HA CYS 43 HA CYS 43 -27.043 6.394 -3.591 314 HB2 CYS 43 HB2 CYS 43 -24.594 7.911 -4.511 315 HB3 CYS 43 HB3 CYS 43 -24.845 6.169 -4.584 316 H THR 44 H THR 44 -26.177 5.280 -1.925 317 HA THR 44 HA THR 44 -24.999 6.852 0.243 318 HB THR 44 HB THR 44 -25.988 3.995 0.306 319 HG1 THR 44 HG1 THR 44 -27.748 5.329 -0.026 320 HG21 THR 44 HG21 THR 44 -24.863 3.969 2.246 321 HG22 THR 44 HG22 THR 44 -26.130 5.038 2.848 322 HG23 THR 44 HG23 THR 44 -24.624 5.715 2.230 323 H ARG 45 H ARG 45 -22.925 6.687 0.822 324 HA ARG 45 HA ARG 45 -21.376 4.357 -0.054 325 HB2 ARG 45 HB2 ARG 45 -19.563 5.726 -0.861 326 HB3 ARG 45 HB3 ARG 45 -21.041 6.203 -1.687 327 HG2 ARG 45 HG2 ARG 45 -21.255 8.128 -0.198 328 HG3 ARG 45 HG3 ARG 45 -19.772 7.649 0.630 329 HD2 ARG 45 HD2 ARG 45 -19.931 8.264 -2.315 330 HD3 ARG 45 HD3 ARG 45 -19.489 9.451 -1.088 331 HE ARG 45 HE ARG 45 -17.904 7.043 -1.046 332 HH11 ARG 45 HH11 ARG 45 -18.252 10.250 -2.354 333 HH12 ARG 45 HH12 ARG 45 -16.569 10.421 -2.729 334 HH21 ARG 45 HH21 ARG 45 -15.686 7.255 -1.536 335 HH22 ARG 45 HH22 ARG 45 -15.111 8.716 -2.264 336 H ASN 46 H ASN 46 -19.294 4.157 1.087 337 HA ASN 46 HA ASN 46 -19.640 4.525 3.882 338 HB2 ASN 46 HB2 ASN 46 -17.085 3.777 2.449 339 HB3 ASN 46 HB3 ASN 46 -17.509 3.431 4.123 340 HD21 ASN 46 HD21 ASN 46 -17.969 2.558 0.808 341 HD22 ASN 46 HD22 ASN 46 -18.802 1.072 1.099 342 H CYS 47 H CYS 47 -18.838 6.025 5.250 343 HA CYS 47 HA CYS 47 -16.721 7.818 4.475 344 HB2 CYS 47 HB2 CYS 47 -17.917 9.843 4.429 345 HB3 CYS 47 HB3 CYS 47 -18.893 8.741 3.463 Start of MODEL 20 1 H1 LYS 1 H LYS 1 -19.010 4.169 9.499 2 HA LYS 1 HA LYS 1 -21.596 5.176 9.164 3 HB2 LYS 1 HB2 LYS 1 -19.631 6.369 10.195 4 HB3 LYS 1 HB3 LYS 1 -19.032 6.659 8.567 5 HG2 LYS 1 HG2 LYS 1 -20.217 8.595 9.482 6 HG3 LYS 1 HG3 LYS 1 -21.004 7.957 8.037 7 HD2 LYS 1 HD2 LYS 1 -22.716 6.926 9.324 8 HD3 LYS 1 HD3 LYS 1 -21.849 7.222 10.833 9 HE2 LYS 1 HE2 LYS 1 -22.336 9.660 9.328 10 HE3 LYS 1 HE3 LYS 1 -23.827 8.811 9.733 11 HZ1 LYS 1 HZ1 LYS 1 -21.729 9.405 11.739 12 HZ2 LYS 1 HZ2 LYS 1 -23.323 8.911 12.017 13 HZ3 LYS 1 HZ3 LYS 1 -23.011 10.462 11.418 14 H THR 2 H THR 2 -22.385 6.584 7.425 15 HA THR 2 HA THR 2 -21.260 6.078 4.780 16 HB THR 2 HB THR 2 -23.647 5.598 3.948 17 HG1 THR 2 HG1 THR 2 -24.835 4.425 5.684 18 HG21 THR 2 HG21 THR 2 -22.068 3.863 3.768 19 HG22 THR 2 HG22 THR 2 -23.424 3.145 4.638 20 HG23 THR 2 HG23 THR 2 -21.980 3.648 5.516 21 H CYS 3 H CYS 3 -21.897 7.578 3.194 22 HA CYS 3 HA CYS 3 -23.368 9.917 4.220 23 HB2 CYS 3 HB2 CYS 3 -20.862 9.814 2.546 24 HB3 CYS 3 HB3 CYS 3 -21.869 11.255 2.641 25 H GLU 4 H GLU 4 -24.379 11.252 2.540 26 HA GLU 4 HA GLU 4 -25.141 9.660 0.180 27 HB2 GLU 4 HB2 GLU 4 -26.857 10.147 2.142 28 HB3 GLU 4 HB3 GLU 4 -27.016 11.687 1.309 29 HG2 GLU 4 HG2 GLU 4 -28.643 10.564 0.227 30 HG3 GLU 4 HG3 GLU 4 -27.287 10.073 -0.786 31 H ASN 5 H ASN 5 -25.215 10.679 -1.774 32 HA ASN 5 HA ASN 5 -24.836 13.573 -1.885 33 HB2 ASN 5 HB2 ASN 5 -22.962 13.366 -3.467 34 HB3 ASN 5 HB3 ASN 5 -22.564 12.661 -1.903 35 HD21 ASN 5 HD21 ASN 5 -21.566 10.795 -1.998 36 HD22 ASN 5 HD22 ASN 5 -21.698 9.627 -3.265 37 H LEU 6 H LEU 6 -25.570 14.531 -3.776 38 HA LEU 6 HA LEU 6 -27.591 13.117 -5.185 39 HB2 LEU 6 HB2 LEU 6 -26.406 15.845 -5.325 40 HB3 LEU 6 HB3 LEU 6 -27.396 15.282 -6.671 41 HG LEU 6 HG LEU 6 -28.274 15.575 -3.799 42 HD11 LEU 6 HD11 LEU 6 -29.903 17.095 -5.408 43 HD12 LEU 6 HD12 LEU 6 -28.306 17.335 -6.116 44 HD13 LEU 6 HD13 LEU 6 -28.579 17.697 -4.411 45 HD21 LEU 6 HD21 LEU 6 -29.601 14.399 -6.213 46 HD22 LEU 6 HD22 LEU 6 -30.553 15.143 -4.929 47 HD23 LEU 6 HD23 LEU 6 -29.511 13.766 -4.569 48 H SER 7 H SER 7 -27.479 11.965 -6.999 49 HA SER 7 HA SER 7 -24.917 11.693 -8.335 50 HB2 SER 7 HB2 SER 7 -26.702 9.827 -7.707 51 HB3 SER 7 HB3 SER 7 -27.352 10.254 -9.289 52 HG SER 7 HG SER 7 -24.710 9.392 -8.710 53 H ASP 8 H ASP 8 -24.373 12.686 -10.157 54 HA ASP 8 HA ASP 8 -26.416 14.212 -11.589 55 HB2 ASP 8 HB2 ASP 8 -24.317 15.155 -12.766 56 HB3 ASP 8 HB3 ASP 8 -24.604 15.606 -11.088 57 H SER 9 H SER 9 -24.576 11.358 -11.859 58 HA SER 9 HA SER 9 -24.617 11.245 -14.746 59 HB2 SER 9 HB2 SER 9 -23.579 9.063 -14.488 60 HB3 SER 9 HB3 SER 9 -22.784 10.213 -13.413 61 HG SER 9 HG SER 9 -24.499 9.333 -11.854 62 H PHE 10 H PHE 10 -26.819 10.637 -12.282 63 HA PHE 10 HA PHE 10 -28.221 8.486 -13.625 64 HB2 PHE 10 HB2 PHE 10 -28.091 8.674 -11.124 65 HB3 PHE 10 HB3 PHE 10 -29.117 10.101 -11.231 66 HD1 PHE 10 HD1 PHE 10 -29.011 6.491 -12.101 67 HD2 PHE 10 HD2 PHE 10 -31.426 9.883 -11.217 68 HE1 PHE 10 HE1 PHE 10 -31.006 5.052 -12.044 69 HE2 PHE 10 HE2 PHE 10 -33.424 8.450 -11.158 70 HZ PHE 10 HZ PHE 10 -33.216 6.031 -11.571 71 H LYS 11 H LYS 11 -29.857 8.708 -15.011 72 HA LYS 11 HA LYS 11 -31.430 11.158 -15.059 73 HB2 LYS 11 HB2 LYS 11 -29.485 10.366 -17.145 74 HB3 LYS 11 HB3 LYS 11 -31.059 10.897 -17.723 75 HG2 LYS 11 HG2 LYS 11 -30.055 12.912 -17.676 76 HG3 LYS 11 HG3 LYS 11 -30.560 12.864 -15.985 77 HD2 LYS 11 HD2 LYS 11 -28.287 11.765 -15.538 78 HD3 LYS 11 HD3 LYS 11 -27.845 12.324 -17.153 79 HE2 LYS 11 HE2 LYS 11 -27.101 14.030 -15.749 80 HE3 LYS 11 HE3 LYS 11 -28.644 14.629 -16.355 81 HZ1 LYS 11 HZ1 LYS 11 -28.478 13.162 -13.798 82 HZ2 LYS 11 HZ2 LYS 11 -29.683 14.221 -14.334 83 HZ3 LYS 11 HZ3 LYS 11 -28.172 14.824 -13.869 84 H GLY 12 H GLY 12 -33.047 10.885 -17.084 85 HA2 GLY 12 HA2 GLY 12 -34.775 9.685 -18.017 86 HA3 GLY 12 HA3 GLY 12 -33.845 8.225 -17.711 87 HA PRO 13 HA PRO 13 -37.584 8.690 -14.807 88 HB2 PRO 13 HB2 PRO 13 -39.188 6.817 -15.942 89 HB3 PRO 13 HB3 PRO 13 -39.230 8.523 -16.402 90 HG2 PRO 13 HG2 PRO 13 -37.866 6.228 -17.757 91 HG3 PRO 13 HG3 PRO 13 -38.800 7.555 -18.472 92 HD2 PRO 13 HD2 PRO 13 -36.093 7.530 -18.444 93 HD3 PRO 13 HD3 PRO 13 -37.034 9.032 -18.350 94 H CYS 14 H CYS 14 -36.899 7.666 -13.030 95 HA CYS 14 HA CYS 14 -35.408 5.358 -12.860 96 HB2 CYS 14 HB2 CYS 14 -35.746 6.896 -10.976 97 HB3 CYS 14 HB3 CYS 14 -37.425 6.382 -10.849 98 H ILE 15 H ILE 15 -35.841 3.187 -12.535 99 HA ILE 15 HA ILE 15 -38.613 2.344 -13.075 100 HB ILE 15 HB ILE 15 -37.373 0.217 -13.989 101 HG12 ILE 15 HG12 ILE 15 -35.275 0.796 -15.147 102 HG13 ILE 15 HG13 ILE 15 -35.325 2.402 -14.428 103 HG21 ILE 15 HG21 ILE 15 -37.193 1.524 -16.257 104 HG22 ILE 15 HG22 ILE 15 -38.759 1.247 -15.497 105 HG23 ILE 15 HG23 ILE 15 -37.962 2.811 -15.328 106 HD11 ILE 15 HD11 ILE 15 -35.427 0.122 -12.561 107 HD12 ILE 15 HD12 ILE 15 -33.906 0.389 -13.414 108 HD13 ILE 15 HD13 ILE 15 -34.598 1.673 -12.424 109 HA PRO 16 HA PRO 16 -38.535 -0.169 -9.479 110 HB2 PRO 16 HB2 PRO 16 -39.880 -2.384 -10.289 111 HB3 PRO 16 HB3 PRO 16 -40.671 -0.828 -10.010 112 HG2 PRO 16 HG2 PRO 16 -39.788 -2.070 -12.587 113 HG3 PRO 16 HG3 PRO 16 -41.295 -1.211 -12.218 114 HD2 PRO 16 HD2 PRO 16 -39.229 -0.037 -13.516 115 HD3 PRO 16 HD3 PRO 16 -40.313 0.863 -12.436 116 H ASP 17 H ASP 17 -37.878 -2.297 -8.596 117 HA ASP 17 HA ASP 17 -36.367 -3.974 -8.316 118 HB2 ASP 17 HB2 ASP 17 -37.535 -4.679 -10.539 119 HB3 ASP 17 HB3 ASP 17 -36.018 -4.189 -11.289 120 H GLY 18 H GLY 18 -35.528 -1.162 -8.614 121 HA2 GLY 18 HA2 GLY 18 -32.679 -1.684 -8.853 122 HA3 GLY 18 HA3 GLY 18 -33.334 -0.544 -10.018 123 H ASN 19 H ASN 19 -34.545 1.325 -9.094 124 HA ASN 19 HA ASN 19 -34.719 3.123 -7.703 125 HB2 ASN 19 HB2 ASN 19 -33.420 1.583 -5.475 126 HB3 ASN 19 HB3 ASN 19 -34.662 2.829 -5.383 127 HD21 ASN 19 HD21 ASN 19 -36.534 1.974 -7.120 128 HD22 ASN 19 HD22 ASN 19 -37.187 0.458 -6.609 129 H CYS 20 H CYS 20 -32.452 2.752 -9.365 130 HA CYS 20 HA CYS 20 -30.441 3.724 -9.796 131 HB2 CYS 20 HB2 CYS 20 -31.593 5.696 -8.713 132 HB3 CYS 20 HB3 CYS 20 -30.805 5.237 -7.207 133 H ASN 21 H ASN 21 -30.865 1.427 -7.758 134 HA ASN 21 HA ASN 21 -28.553 1.560 -6.065 135 HB2 ASN 21 HB2 ASN 21 -29.202 -0.543 -5.248 136 HB3 ASN 21 HB3 ASN 21 -30.728 0.232 -5.666 137 HD21 ASN 21 HD21 ASN 21 -29.489 -2.627 -5.609 138 HD22 ASN 21 HD22 ASN 21 -30.095 -3.322 -7.070 139 H LYS 22 H LYS 22 -29.378 -0.047 -9.104 140 HA LYS 22 HA LYS 22 -26.868 -1.409 -9.320 141 HB2 LYS 22 HB2 LYS 22 -27.627 -1.917 -11.631 142 HB3 LYS 22 HB3 LYS 22 -28.807 -2.353 -10.402 143 HG2 LYS 22 HG2 LYS 22 -30.266 -1.294 -11.716 144 HG3 LYS 22 HG3 LYS 22 -29.580 0.181 -11.029 145 HD2 LYS 22 HD2 LYS 22 -29.281 0.707 -13.209 146 HD3 LYS 22 HD3 LYS 22 -27.817 -0.259 -13.007 147 HE2 LYS 22 HE2 LYS 22 -29.910 -2.055 -13.592 148 HE3 LYS 22 HE3 LYS 22 -30.062 -0.712 -14.724 149 HZ1 LYS 22 HZ1 LYS 22 -27.950 -2.701 -14.475 150 HZ2 LYS 22 HZ2 LYS 22 -27.459 -1.130 -14.866 151 HZ3 LYS 22 HZ3 LYS 22 -28.565 -1.941 -15.856 152 H HIS 23 H HIS 23 -28.165 1.651 -10.413 153 HA HIS 23 HA HIS 23 -26.169 2.258 -12.318 154 HB2 HIS 23 HB2 HIS 23 -28.500 3.403 -11.726 155 HB3 HIS 23 HB3 HIS 23 -27.459 4.454 -10.769 156 HD1 HIS 23 HD1 HIS 23 -26.149 6.216 -12.001 157 HD2 HIS 23 HD2 HIS 23 -27.960 3.480 -14.551 158 HE1 HIS 23 HE1 HIS 23 -25.847 7.152 -14.316 159 H CYS 24 H CYS 24 -26.581 3.490 -8.993 160 HA CYS 24 HA CYS 24 -24.093 4.781 -8.861 161 HB2 CYS 24 HB2 CYS 24 -25.818 3.668 -6.638 162 HB3 CYS 24 HB3 CYS 24 -24.449 4.749 -6.397 163 H LYS 25 H LYS 25 -24.979 1.461 -8.505 164 HA LYS 25 HA LYS 25 -22.499 0.726 -7.189 165 HB2 LYS 25 HB2 LYS 25 -24.932 -0.782 -8.099 166 HB3 LYS 25 HB3 LYS 25 -23.462 -1.642 -7.658 167 HG2 LYS 25 HG2 LYS 25 -23.543 -0.516 -5.443 168 HG3 LYS 25 HG3 LYS 25 -25.105 0.167 -5.901 169 HD2 LYS 25 HD2 LYS 25 -25.860 -1.696 -4.843 170 HD3 LYS 25 HD3 LYS 25 -25.599 -2.402 -6.439 171 HE2 LYS 25 HE2 LYS 25 -23.138 -2.684 -5.343 172 HE3 LYS 25 HE3 LYS 25 -24.155 -2.835 -3.912 173 HZ1 LYS 25 HZ1 LYS 25 -24.512 -4.420 -6.396 174 HZ2 LYS 25 HZ2 LYS 25 -25.354 -4.617 -4.943 175 HZ3 LYS 25 HZ3 LYS 25 -23.702 -4.972 -5.017 176 H GLU 26 H GLU 26 -23.750 0.998 -10.383 177 HA GLU 26 HA GLU 26 -21.647 -0.687 -11.508 178 HB2 GLU 26 HB2 GLU 26 -24.116 0.604 -12.617 179 HB3 GLU 26 HB3 GLU 26 -22.838 0.071 -13.701 180 HG2 GLU 26 HG2 GLU 26 -23.034 -2.198 -12.822 181 HG3 GLU 26 HG3 GLU 26 -24.315 -1.665 -11.735 182 H LYS 27 H LYS 27 -22.306 2.588 -10.826 183 HA LYS 27 HA LYS 27 -20.246 3.502 -12.712 184 HB2 LYS 27 HB2 LYS 27 -22.263 5.110 -11.134 185 HB3 LYS 27 HB3 LYS 27 -21.112 5.764 -12.291 186 HG2 LYS 27 HG2 LYS 27 -22.307 3.999 -13.880 187 HG3 LYS 27 HG3 LYS 27 -23.631 4.281 -12.746 188 HD2 LYS 27 HD2 LYS 27 -23.854 5.820 -14.573 189 HD3 LYS 27 HD3 LYS 27 -23.362 6.725 -13.140 190 HE2 LYS 27 HE2 LYS 27 -21.641 7.536 -14.286 191 HE3 LYS 27 HE3 LYS 27 -20.997 5.902 -14.428 192 HZ1 LYS 27 HZ1 LYS 27 -22.262 5.606 -16.456 193 HZ2 LYS 27 HZ2 LYS 27 -21.257 6.960 -16.589 194 HZ3 LYS 27 HZ3 LYS 27 -22.914 7.161 -16.314 195 H GLU 28 H GLU 28 -21.288 4.743 -9.548 196 HA GLU 28 HA GLU 28 -18.532 5.245 -8.826 197 HB2 GLU 28 HB2 GLU 28 -21.200 5.967 -7.720 198 HB3 GLU 28 HB3 GLU 28 -19.837 5.948 -6.610 199 HG2 GLU 28 HG2 GLU 28 -18.760 7.682 -7.688 200 HG3 GLU 28 HG3 GLU 28 -19.633 7.421 -9.197 201 H HIS 29 H HIS 29 -20.416 2.575 -8.733 202 HA HIS 29 HA HIS 29 -20.495 0.658 -7.490 203 HB2 HIS 29 HB2 HIS 29 -17.620 1.512 -7.394 204 HB3 HIS 29 HB3 HIS 29 -18.139 0.059 -6.545 205 HD1 HIS 29 HD1 HIS 29 -17.709 -1.951 -7.896 206 HD2 HIS 29 HD2 HIS 29 -18.721 1.302 -10.273 207 HE1 HIS 29 HE1 HIS 29 -17.661 -2.806 -10.261 208 H LEU 30 H LEU 30 -21.583 2.709 -6.065 209 HA LEU 30 HA LEU 30 -20.402 2.805 -3.425 210 HB2 LEU 30 HB2 LEU 30 -23.039 3.878 -4.414 211 HB3 LEU 30 HB3 LEU 30 -22.294 4.235 -2.858 212 HG LEU 30 HG LEU 30 -21.348 5.102 -5.585 213 HD11 LEU 30 HD11 LEU 30 -23.026 6.269 -3.582 214 HD12 LEU 30 HD12 LEU 30 -22.575 6.898 -5.167 215 HD13 LEU 30 HD13 LEU 30 -21.558 7.229 -3.765 216 HD21 LEU 30 HD21 LEU 30 -19.742 6.406 -3.857 217 HD22 LEU 30 HD22 LEU 30 -19.296 4.907 -4.673 218 HD23 LEU 30 HD23 LEU 30 -19.916 4.862 -3.022 219 H LEU 31 H LEU 31 -22.534 2.748 -1.735 220 HA LEU 31 HA LEU 31 -22.977 -0.061 -1.447 221 HB2 LEU 31 HB2 LEU 31 -24.002 2.328 0.072 222 HB3 LEU 31 HB3 LEU 31 -24.379 0.663 0.511 223 HG LEU 31 HG LEU 31 -21.622 1.891 0.470 224 HD11 LEU 31 HD11 LEU 31 -23.384 2.542 2.280 225 HD12 LEU 31 HD12 LEU 31 -21.738 2.122 2.754 226 HD13 LEU 31 HD13 LEU 31 -23.033 0.936 2.919 227 HD21 LEU 31 HD21 LEU 31 -22.441 -0.810 0.331 228 HD22 LEU 31 HD22 LEU 31 -21.825 -0.532 1.961 229 HD23 LEU 31 HD23 LEU 31 -20.813 -0.172 0.561 230 H SER 32 H SER 32 -25.178 2.704 -1.924 231 HA SER 32 HA SER 32 -26.853 1.216 -3.696 232 HB2 SER 32 HB2 SER 32 -28.802 0.965 -2.376 233 HB3 SER 32 HB3 SER 32 -27.487 0.385 -1.354 234 HG SER 32 HG SER 32 -28.865 1.792 -0.211 235 H GLY 33 H GLY 33 -29.170 2.604 -3.628 236 HA2 GLY 33 HA2 GLY 33 -28.756 5.428 -3.327 237 HA3 GLY 33 HA3 GLY 33 -28.686 4.918 -5.007 238 H ARG 34 H ARG 34 -30.579 6.681 -4.459 239 HA ARG 34 HA ARG 34 -33.018 5.129 -4.790 240 HB2 ARG 34 HB2 ARG 34 -33.039 7.423 -2.846 241 HB3 ARG 34 HB3 ARG 34 -34.248 6.167 -3.075 242 HG2 ARG 34 HG2 ARG 34 -32.514 4.530 -2.227 243 HG3 ARG 34 HG3 ARG 34 -31.568 5.940 -1.743 244 HD2 ARG 34 HD2 ARG 34 -32.914 5.063 0.108 245 HD3 ARG 34 HD3 ARG 34 -33.390 6.704 -0.330 246 HE ARG 34 HE ARG 34 -35.455 5.907 -0.891 247 HH11 ARG 34 HH11 ARG 34 -33.219 3.242 -0.758 248 HH12 ARG 34 HH12 ARG 34 -34.444 2.035 -0.969 249 HH21 ARG 34 HH21 ARG 34 -37.076 4.327 -1.170 250 HH22 ARG 34 HH22 ARG 34 -36.637 2.653 -1.204 251 H CYS 35 H CYS 35 -34.394 6.025 -6.225 252 HA CYS 35 HA CYS 35 -33.520 8.382 -7.636 253 HB2 CYS 35 HB2 CYS 35 -36.115 6.943 -8.130 254 HB3 CYS 35 HB3 CYS 35 -35.107 7.820 -9.277 255 H ARG 36 H ARG 36 -35.080 10.125 -8.192 256 HA ARG 36 HA ARG 36 -37.005 10.669 -6.042 257 HB2 ARG 36 HB2 ARG 36 -34.627 11.852 -5.935 258 HB3 ARG 36 HB3 ARG 36 -35.382 12.937 -7.094 259 HG2 ARG 36 HG2 ARG 36 -36.470 13.990 -5.481 260 HG3 ARG 36 HG3 ARG 36 -37.157 12.474 -4.892 261 HD2 ARG 36 HD2 ARG 36 -34.348 13.323 -4.245 262 HD3 ARG 36 HD3 ARG 36 -35.727 13.819 -3.265 263 HE ARG 36 HE ARG 36 -35.602 10.985 -3.687 264 HH11 ARG 36 HH11 ARG 36 -34.441 13.626 -1.738 265 HH12 ARG 36 HH12 ARG 36 -34.098 12.631 -0.362 266 HH21 ARG 36 HH21 ARG 36 -35.154 9.665 -1.882 267 HH22 ARG 36 HH22 ARG 36 -34.503 10.378 -0.445 268 H ASP 37 H ASP 37 -38.166 12.887 -6.698 269 HA ASP 37 HA ASP 37 -39.438 12.308 -9.228 270 HB2 ASP 37 HB2 ASP 37 -39.974 14.381 -7.096 271 HB3 ASP 37 HB3 ASP 37 -40.917 14.249 -8.578 272 H ASP 38 H ASP 38 -37.112 14.546 -7.975 273 HA ASP 38 HA ASP 38 -37.331 16.304 -10.288 274 HB2 ASP 38 HB2 ASP 38 -35.256 17.352 -9.011 275 HB3 ASP 38 HB3 ASP 38 -36.907 17.645 -8.472 276 H PHE 39 H PHE 39 -36.460 13.508 -10.569 277 HA PHE 39 HA PHE 39 -34.934 12.303 -11.748 278 HB2 PHE 39 HB2 PHE 39 -34.599 15.066 -12.739 279 HB3 PHE 39 HB3 PHE 39 -33.249 13.981 -13.058 280 HD1 PHE 39 HD1 PHE 39 -36.970 13.661 -13.113 281 HD2 PHE 39 HD2 PHE 39 -33.286 13.127 -15.178 282 HE1 PHE 39 HE1 PHE 39 -38.187 12.721 -15.034 283 HE2 PHE 39 HE2 PHE 39 -34.497 12.187 -17.102 284 HZ PHE 39 HZ PHE 39 -36.950 11.983 -17.033 285 H ARG 40 H ARG 40 -34.305 13.636 -9.033 286 HA ARG 40 HA ARG 40 -31.387 13.568 -9.089 287 HB2 ARG 40 HB2 ARG 40 -33.262 14.181 -6.797 288 HB3 ARG 40 HB3 ARG 40 -31.515 14.382 -6.788 289 HG2 ARG 40 HG2 ARG 40 -32.884 15.788 -8.962 290 HG3 ARG 40 HG3 ARG 40 -33.305 16.344 -7.341 291 HD2 ARG 40 HD2 ARG 40 -30.689 16.252 -7.011 292 HD3 ARG 40 HD3 ARG 40 -30.693 16.421 -8.766 293 HE ARG 40 HE ARG 40 -32.342 18.336 -7.377 294 HH11 ARG 40 HH11 ARG 40 -29.171 17.619 -8.622 295 HH12 ARG 40 HH12 ARG 40 -28.698 19.281 -8.739 296 HH21 ARG 40 HH21 ARG 40 -31.732 20.529 -7.527 297 HH22 ARG 40 HH22 ARG 40 -30.155 20.936 -8.116 298 H CYS 41 H CYS 41 -30.148 12.072 -8.017 299 HA CYS 41 HA CYS 41 -31.557 9.849 -6.704 300 HB2 CYS 41 HB2 CYS 41 -31.072 8.935 -8.824 301 HB3 CYS 41 HB3 CYS 41 -29.488 9.701 -8.886 302 H TRP 42 H TRP 42 -30.889 9.761 -4.672 303 HA TRP 42 HA TRP 42 -28.260 10.781 -3.948 304 HB2 TRP 42 HB2 TRP 42 -30.663 9.921 -2.340 305 HB3 TRP 42 HB3 TRP 42 -29.115 10.297 -1.588 306 HD1 TRP 42 HD1 TRP 42 -31.992 11.974 -3.501 307 HE1 TRP 42 HE1 TRP 42 -31.889 14.509 -3.068 308 HE3 TRP 42 HE3 TRP 42 -27.569 12.182 -0.946 309 HZ2 TRP 42 HZ2 TRP 42 -30.161 16.353 -1.810 310 HZ3 TRP 42 HZ3 TRP 42 -26.761 14.370 -0.162 311 HH2 TRP 42 HH2 TRP 42 -28.032 16.411 -0.587 312 H CYS 43 H CYS 43 -26.586 9.444 -4.029 313 HA CYS 43 HA CYS 43 -27.003 6.576 -3.633 314 HB2 CYS 43 HB2 CYS 43 -24.482 7.991 -4.516 315 HB3 CYS 43 HB3 CYS 43 -24.828 6.268 -4.624 316 H THR 44 H THR 44 -26.134 5.434 -1.975 317 HA THR 44 HA THR 44 -24.919 6.998 0.188 318 HB THR 44 HB THR 44 -26.110 4.220 0.286 319 HG1 THR 44 HG1 THR 44 -27.275 6.417 1.569 320 HG21 THR 44 HG21 THR 44 -24.569 5.813 2.187 321 HG22 THR 44 HG22 THR 44 -24.956 4.092 2.205 322 HG23 THR 44 HG23 THR 44 -26.115 5.265 2.831 323 H ARG 45 H ARG 45 -22.863 6.718 0.790 324 HA ARG 45 HA ARG 45 -21.450 4.287 -0.045 325 HB2 ARG 45 HB2 ARG 45 -19.563 5.522 -0.869 326 HB3 ARG 45 HB3 ARG 45 -21.003 6.119 -1.684 327 HG2 ARG 45 HG2 ARG 45 -21.056 8.047 -0.188 328 HG3 ARG 45 HG3 ARG 45 -19.617 7.445 0.638 329 HD2 ARG 45 HD2 ARG 45 -19.726 8.090 -2.303 330 HD3 ARG 45 HD3 ARG 45 -19.186 9.226 -1.068 331 HE ARG 45 HE ARG 45 -17.805 6.697 -1.042 332 HH11 ARG 45 HH11 ARG 45 -17.890 9.925 -2.343 333 HH12 ARG 45 HH12 ARG 45 -16.201 9.956 -2.723 334 HH21 ARG 45 HH21 ARG 45 -15.579 6.726 -1.539 335 HH22 ARG 45 HH22 ARG 45 -14.887 8.136 -2.267 336 H ASN 46 H ASN 46 -19.349 4.027 1.095 337 HA ASN 46 HA ASN 46 -19.709 4.421 3.893 338 HB2 ASN 46 HB2 ASN 46 -17.187 3.524 2.490 339 HB3 ASN 46 HB3 ASN 46 -17.648 3.212 4.161 340 HD21 ASN 46 HD21 ASN 46 -18.108 2.338 0.848 341 HD22 ASN 46 HD22 ASN 46 -19.027 0.904 1.136 342 H CYS 47 H CYS 47 -18.838 5.890 5.251 343 HA CYS 47 HA CYS 47 -16.623 7.559 4.472 344 HB2 CYS 47 HB2 CYS 47 -17.710 9.644 4.408 345 HB3 CYS 47 HB3 CYS 47 -18.739 8.589 3.445
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