NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
581648 | 2mf3 | 19535 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 1.466 0.417 -2.016 3 HB2 SER 1 HB2 SER 1 3.052 1.876 -0.831 4 HB3 SER 1 HB3 SER 1 3.973 0.463 -0.316 5 HG SER 1 HG SER 1 4.883 1.424 -2.173 6 H LYS 2 H LYS 2 2.814 -0.830 -3.521 7 HA LYS 2 HA LYS 2 3.772 -3.412 -2.634 8 HB2 LYS 2 HB2 LYS 2 1.401 -3.882 -2.904 9 HB3 LYS 2 HB3 LYS 2 1.416 -3.176 -4.515 10 HG2 LYS 2 HG2 LYS 2 2.758 -4.947 -5.365 11 HG3 LYS 2 HG3 LYS 2 3.049 -5.581 -3.743 12 HD2 LYS 2 HD2 LYS 2 1.383 -6.927 -4.889 13 HD3 LYS 2 HD3 LYS 2 0.650 -6.079 -3.526 14 HE2 LYS 2 HE2 LYS 2 -0.246 -4.395 -5.038 15 HE3 LYS 2 HE3 LYS 2 0.527 -5.192 -6.407 16 HZ1 LYS 2 HZ1 LYS 2 -1.646 -5.956 -6.470 17 HZ2 LYS 2 HZ2 LYS 2 -1.762 -6.114 -4.790 18 HZ3 LYS 2 HZ3 LYS 2 -0.835 -7.214 -5.680 19 H GLU 3 H GLU 3 5.223 -4.339 -4.049 20 HA GLU 3 HA GLU 3 5.699 -2.909 -6.577 21 HB2 GLU 3 HB2 GLU 3 8.156 -3.288 -6.175 22 HB3 GLU 3 HB3 GLU 3 7.397 -2.116 -5.107 23 HG2 GLU 3 HG2 GLU 3 7.170 -3.978 -3.423 24 HG3 GLU 3 HG3 GLU 3 8.215 -4.934 -4.473 25 H CYS 4 H CYS 4 5.362 -4.274 -8.192 26 HA CYS 4 HA CYS 4 6.461 -6.988 -8.001 27 HB2 CYS 4 HB2 CYS 4 4.436 -7.890 -9.104 28 HB3 CYS 4 HB3 CYS 4 4.089 -7.211 -7.517 29 H MET 5 H MET 5 5.890 -8.004 -10.399 30 HA MET 5 HA MET 5 7.000 -6.050 -12.305 31 HB2 MET 5 HB2 MET 5 7.450 -9.036 -12.350 32 HB3 MET 5 HB3 MET 5 8.233 -7.828 -13.360 33 HG2 MET 5 HG2 MET 5 9.335 -6.894 -11.393 34 HG3 MET 5 HG3 MET 5 8.546 -8.100 -10.379 35 HE1 MET 5 HE1 MET 5 8.915 -10.876 -12.323 36 HE2 MET 5 HE2 MET 5 10.209 -11.387 -11.239 37 HE3 MET 5 HE3 MET 5 8.799 -10.546 -10.594 38 H THR 6 H THR 6 6.527 -6.570 -14.609 39 HA THR 6 HA THR 6 3.717 -7.345 -14.858 40 HB THR 6 HB THR 6 3.821 -6.301 -17.092 41 HG1 THR 6 HG1 THR 6 6.065 -6.664 -17.490 42 HG21 THR 6 HG21 THR 6 3.628 -4.147 -16.315 43 HG22 THR 6 HG22 THR 6 5.044 -4.281 -15.272 44 HG23 THR 6 HG23 THR 6 3.523 -5.037 -14.796 45 H ASP 7 H ASP 7 3.274 -8.287 -17.201 46 HA ASP 7 HA ASP 7 4.379 -10.893 -17.213 47 HB2 ASP 7 HB2 ASP 7 3.027 -11.278 -19.181 48 HB3 ASP 7 HB3 ASP 7 2.094 -10.330 -18.025 49 H GLY 8 H GLY 8 5.685 -11.914 -18.790 50 HA2 GLY 8 HA2 GLY 8 7.046 -11.824 -20.777 51 HA3 GLY 8 HA3 GLY 8 7.232 -10.096 -20.516 52 H THR 9 H THR 9 7.620 -10.804 -17.550 53 HA THR 9 HA THR 9 10.506 -11.201 -17.783 54 HB THR 9 HB THR 9 8.855 -10.338 -15.400 55 HG1 THR 9 HG1 THR 9 10.641 -8.766 -16.954 56 HG21 THR 9 HG21 THR 9 10.953 -11.480 -14.778 57 HG22 THR 9 HG22 THR 9 10.977 -9.766 -14.361 58 HG23 THR 9 HG23 THR 9 11.851 -10.341 -15.780 59 H VAL 10 H VAL 10 11.404 -13.104 -17.376 60 HA VAL 10 HA VAL 10 10.055 -15.420 -16.717 61 HB VAL 10 HB VAL 10 12.959 -14.809 -16.143 62 HG11 VAL 10 HG11 VAL 10 11.350 -17.325 -16.117 63 HG12 VAL 10 HG12 VAL 10 13.052 -17.379 -16.583 64 HG13 VAL 10 HG13 VAL 10 12.590 -16.773 -14.992 65 HG21 VAL 10 HG21 VAL 10 13.293 -16.015 -18.334 66 HG22 VAL 10 HG22 VAL 10 11.557 -15.847 -18.597 67 HG23 VAL 10 HG23 VAL 10 12.569 -14.411 -18.449 68 H CYS 11 H CYS 11 9.588 -16.521 -14.864 69 HA CYS 11 HA CYS 11 10.406 -15.357 -12.302 70 HB2 CYS 11 HB2 CYS 11 8.127 -15.528 -11.420 71 HB3 CYS 11 HB3 CYS 11 8.185 -14.437 -12.800 72 H TYR 12 H TYR 12 10.254 -16.818 -10.508 73 HA TYR 12 HA TYR 12 10.010 -19.650 -11.276 74 HB2 TYR 12 HB2 TYR 12 12.281 -18.231 -10.004 75 HB3 TYR 12 HB3 TYR 12 11.873 -19.808 -9.335 76 HD1 TYR 12 HD1 TYR 12 12.139 -21.832 -10.665 77 HD2 TYR 12 HD2 TYR 12 13.169 -18.020 -12.249 78 HE1 TYR 12 HE1 TYR 12 13.379 -22.929 -12.484 79 HE2 TYR 12 HE2 TYR 12 14.411 -19.107 -14.073 80 HH TYR 12 HH TYR 12 15.084 -22.492 -14.075 81 H ILE 13 H ILE 13 8.667 -20.777 -10.035 82 HA ILE 13 HA ILE 13 7.208 -19.599 -7.935 83 HB ILE 13 HB ILE 13 7.503 -22.558 -8.450 84 HG12 ILE 13 HG12 ILE 13 6.909 -21.450 -10.534 85 HG13 ILE 13 HG13 ILE 13 5.510 -22.311 -9.902 86 HG21 ILE 13 HG21 ILE 13 6.042 -21.060 -6.538 87 HG22 ILE 13 HG22 ILE 13 4.889 -21.763 -7.672 88 HG23 ILE 13 HG23 ILE 13 6.026 -22.802 -6.813 89 HD11 ILE 13 HD11 ILE 13 6.021 -19.366 -9.989 90 HD12 ILE 13 HD12 ILE 13 4.651 -20.280 -10.623 91 HD13 ILE 13 HD13 ILE 13 4.836 -20.061 -8.883 92 H HIS 14 H HIS 14 10.221 -21.272 -7.997 93 HA HIS 14 HA HIS 14 10.207 -21.483 -5.061 94 HB2 HIS 14 HB2 HIS 14 10.704 -23.503 -6.689 95 HB3 HIS 14 HB3 HIS 14 12.312 -22.786 -6.736 96 HD1 HIS 14 HD1 HIS 14 13.744 -24.117 -5.230 97 HD2 HIS 14 HD2 HIS 14 9.975 -23.477 -3.604 98 HE1 HIS 14 HE1 HIS 14 13.819 -25.143 -2.936 99 H ASN 15 H ASN 15 10.661 -19.019 -6.523 100 HA ASN 15 HA ASN 15 13.406 -18.471 -5.614 101 HB2 ASN 15 HB2 ASN 15 13.224 -18.562 -8.122 102 HB3 ASN 15 HB3 ASN 15 12.117 -17.195 -8.033 103 HD21 ASN 15 HD21 ASN 15 15.309 -18.161 -6.818 104 HD22 ASN 15 HD22 ASN 15 16.063 -16.630 -7.091 105 H HIS 16 H HIS 16 10.581 -18.090 -4.532 106 HA HIS 16 HA HIS 16 9.377 -16.531 -3.386 107 HB2 HIS 16 HB2 HIS 16 12.211 -15.589 -3.066 108 HB3 HIS 16 HB3 HIS 16 10.882 -14.677 -2.356 109 HD1 HIS 16 HD1 HIS 16 9.147 -16.714 -1.099 110 HD2 HIS 16 HD2 HIS 16 13.287 -17.063 -1.084 111 HE1 HIS 16 HE1 HIS 16 9.686 -18.241 0.825 112 H ASN 17 H ASN 17 9.656 -16.158 -6.273 113 HA ASN 17 HA ASN 17 9.812 -13.300 -6.688 114 HB2 ASN 17 HB2 ASN 17 9.459 -15.698 -8.430 115 HB3 ASN 17 HB3 ASN 17 8.915 -14.139 -9.043 116 HD21 ASN 17 HD21 ASN 17 10.735 -12.398 -8.170 117 HD22 ASN 17 HD22 ASN 17 12.304 -12.776 -8.788 118 H ASP 18 H ASP 18 8.173 -11.940 -6.461 119 HA ASP 18 HA ASP 18 5.439 -13.030 -6.422 120 HB2 ASP 18 HB2 ASP 18 6.786 -10.836 -4.920 121 HB3 ASP 18 HB3 ASP 18 5.075 -10.646 -5.293 122 H CYS 19 H CYS 19 4.514 -12.775 -8.351 123 HA CYS 19 HA CYS 19 4.897 -10.213 -9.755 124 HB2 CYS 19 HB2 CYS 19 4.757 -13.010 -10.688 125 HB3 CYS 19 HB3 CYS 19 3.853 -11.852 -11.658 126 H CYS 20 H CYS 20 3.176 -8.958 -10.139 127 HA CYS 20 HA CYS 20 0.770 -9.257 -8.822 128 HB2 CYS 20 HB2 CYS 20 1.718 -7.579 -11.085 129 HB3 CYS 20 HB3 CYS 20 -0.023 -7.676 -10.837 130 H GLY 21 H GLY 21 1.767 -10.553 -11.897 131 HA2 GLY 21 HA2 GLY 21 -0.966 -11.489 -12.439 132 HA3 GLY 21 HA3 GLY 21 0.354 -11.459 -13.599 133 H SER 22 H SER 22 -0.967 -13.718 -13.591 134 HA SER 22 HA SER 22 0.332 -15.581 -11.747 135 HB2 SER 22 HB2 SER 22 -2.184 -15.544 -13.238 136 HB3 SER 22 HB3 SER 22 -1.334 -17.084 -13.364 137 HG SER 22 HG SER 22 -1.479 -17.359 -11.214 138 H CYS 23 H CYS 23 1.831 -17.038 -12.355 139 HA CYS 23 HA CYS 23 3.181 -16.687 -14.831 140 HB2 CYS 23 HB2 CYS 23 3.455 -18.640 -12.559 141 HB3 CYS 23 HB3 CYS 23 4.408 -18.820 -14.028 142 H LEU 24 H LEU 24 2.916 -17.678 -16.727 143 HA LEU 24 HA LEU 24 1.109 -20.004 -16.828 144 HB2 LEU 24 HB2 LEU 24 1.550 -17.775 -18.801 145 HB3 LEU 24 HB3 LEU 24 0.696 -19.263 -19.207 146 HG LEU 24 HG LEU 24 -0.152 -17.239 -17.135 147 HD11 LEU 24 HD11 LEU 24 -2.142 -17.235 -18.875 148 HD12 LEU 24 HD12 LEU 24 -0.852 -17.700 -19.983 149 HD13 LEU 24 HD13 LEU 24 -0.732 -16.194 -19.074 150 HD21 LEU 24 HD21 LEU 24 -0.801 -19.991 -17.419 151 HD22 LEU 24 HD22 LEU 24 -2.217 -19.038 -17.865 152 HD23 LEU 24 HD23 LEU 24 -1.463 -18.812 -16.286 153 H CYS 25 H CYS 25 2.135 -21.833 -17.253 154 HA CYS 25 HA CYS 25 4.734 -21.796 -18.552 155 HB2 CYS 25 HB2 CYS 25 3.186 -24.180 -17.523 156 HB3 CYS 25 HB3 CYS 25 4.903 -24.114 -17.909 157 H SER 26 H SER 26 5.099 -22.288 -20.618 158 HA SER 26 HA SER 26 2.828 -23.036 -22.286 159 HB2 SER 26 HB2 SER 26 4.672 -21.175 -22.734 160 HB3 SER 26 HB3 SER 26 5.539 -22.541 -23.435 161 HG SER 26 HG SER 26 2.957 -21.605 -24.151 162 H ASN 27 H ASN 27 2.510 -25.025 -23.030 163 HA ASN 27 HA ASN 27 4.662 -26.997 -22.698 164 HB2 ASN 27 HB2 ASN 27 1.671 -27.180 -22.674 165 HB3 ASN 27 HB3 ASN 27 2.620 -28.600 -23.102 166 HD21 ASN 27 HD21 ASN 27 1.048 -28.755 -20.946 167 HD22 ASN 27 HD22 ASN 27 1.986 -28.740 -19.495 168 H GLY 28 H GLY 28 4.388 -25.100 -24.957 169 HA2 GLY 28 HA2 GLY 28 3.363 -26.215 -27.271 170 HA3 GLY 28 HA3 GLY 28 4.768 -25.160 -27.222 171 HA PRO 29 HA PRO 29 5.883 -29.537 -28.619 172 HB2 PRO 29 HB2 PRO 29 6.548 -28.915 -31.177 173 HB3 PRO 29 HB3 PRO 29 4.913 -29.384 -30.696 174 HG2 PRO 29 HG2 PRO 29 6.038 -26.650 -31.165 175 HG3 PRO 29 HG3 PRO 29 4.473 -27.317 -31.666 176 HD2 PRO 29 HD2 PRO 29 4.746 -25.701 -29.510 177 HD3 PRO 29 HD3 PRO 29 3.528 -26.990 -29.589 178 H ILE 30 H ILE 30 7.961 -30.239 -28.553 179 HA ILE 30 HA ILE 30 10.074 -28.186 -28.675 180 HB ILE 30 HB ILE 30 11.365 -29.770 -27.161 181 HG12 ILE 30 HG12 ILE 30 8.868 -30.832 -26.047 182 HG13 ILE 30 HG13 ILE 30 9.252 -31.464 -27.644 183 HG21 ILE 30 HG21 ILE 30 10.476 -27.685 -26.341 184 HG22 ILE 30 HG22 ILE 30 8.882 -28.408 -26.130 185 HG23 ILE 30 HG23 ILE 30 10.231 -28.939 -25.125 186 HD11 ILE 30 HD11 ILE 30 11.587 -31.483 -25.980 187 HD12 ILE 30 HD12 ILE 30 10.252 -32.321 -25.189 188 HD13 ILE 30 HD13 ILE 30 10.777 -32.819 -26.797 189 H ALA 31 H ALA 31 10.852 -28.425 -30.707 190 HA ALA 31 HA ALA 31 11.590 -31.129 -31.598 191 HB1 ALA 31 HB1 ALA 31 10.500 -28.815 -32.949 192 HB2 ALA 31 HB2 ALA 31 11.958 -29.409 -33.743 193 HB3 ALA 31 HB3 ALA 31 10.592 -30.494 -33.482 194 H ARG 32 H ARG 32 12.841 -27.976 -30.817 195 HA ARG 32 HA ARG 32 15.559 -29.034 -31.073 196 HB2 ARG 32 HB2 ARG 32 14.577 -26.430 -32.243 197 HB3 ARG 32 HB3 ARG 32 16.279 -26.795 -31.995 198 HG2 ARG 32 HG2 ARG 32 14.482 -28.555 -33.633 199 HG3 ARG 32 HG3 ARG 32 15.352 -27.180 -34.317 200 HD2 ARG 32 HD2 ARG 32 17.469 -28.165 -33.515 201 HD3 ARG 32 HD3 ARG 32 16.569 -29.561 -32.923 202 HE ARG 32 HE ARG 32 16.041 -29.130 -35.670 203 HH11 ARG 32 HH11 ARG 32 18.491 -30.314 -33.498 204 HH12 ARG 32 HH12 ARG 32 19.193 -31.385 -34.665 205 HH21 ARG 32 HH21 ARG 32 16.957 -30.536 -37.215 206 HH22 ARG 32 HH22 ARG 32 18.320 -31.510 -36.779 207 HA PRO 33 HA PRO 33 14.764 -26.905 -27.023 208 HB2 PRO 33 HB2 PRO 33 15.860 -28.873 -25.507 209 HB3 PRO 33 HB3 PRO 33 14.167 -28.882 -26.017 210 HG2 PRO 33 HG2 PRO 33 16.506 -30.337 -27.189 211 HG3 PRO 33 HG3 PRO 33 14.862 -30.926 -26.882 212 HD2 PRO 33 HD2 PRO 33 15.698 -30.155 -29.339 213 HD3 PRO 33 HD3 PRO 33 14.020 -29.951 -28.794 214 H TRP 34 H TRP 34 17.475 -28.153 -28.724 215 HA TRP 34 HA TRP 34 19.530 -27.388 -26.927 216 HB2 TRP 34 HB2 TRP 34 19.454 -28.003 -29.870 217 HB3 TRP 34 HB3 TRP 34 20.931 -27.423 -29.105 218 HD1 TRP 34 HD1 TRP 34 18.366 -30.151 -28.041 219 HE1 TRP 34 HE1 TRP 34 19.688 -32.280 -27.453 220 HE3 TRP 34 HE3 TRP 34 23.089 -28.481 -29.057 221 HZ2 TRP 34 HZ2 TRP 34 22.377 -33.138 -27.424 222 HZ3 TRP 34 HZ3 TRP 34 24.981 -30.018 -28.722 223 HH2 TRP 34 HH2 TRP 34 24.630 -32.298 -27.922 224 H GLU 35 H GLU 35 17.704 -25.688 -29.369 225 HA GLU 35 HA GLU 35 19.328 -23.280 -28.882 226 HB2 GLU 35 HB2 GLU 35 17.549 -23.956 -31.231 227 HB3 GLU 35 HB3 GLU 35 18.404 -22.434 -31.020 228 HG2 GLU 35 HG2 GLU 35 20.535 -23.781 -30.959 229 HG3 GLU 35 HG3 GLU 35 19.572 -25.159 -31.487 230 H MET 36 H MET 36 16.042 -24.540 -29.106 231 HA MET 36 HA MET 36 15.124 -22.196 -27.584 232 HB2 MET 36 HB2 MET 36 13.668 -23.533 -29.871 233 HB3 MET 36 HB3 MET 36 12.985 -22.286 -28.836 234 HG2 MET 36 HG2 MET 36 15.081 -20.925 -29.606 235 HG3 MET 36 HG3 MET 36 15.070 -22.068 -30.947 236 HE1 MET 36 HE1 MET 36 14.335 -18.863 -29.894 237 HE2 MET 36 HE2 MET 36 14.580 -18.808 -31.640 238 HE3 MET 36 HE3 MET 36 13.059 -18.246 -30.944 239 H MET 37 H MET 37 15.064 -23.251 -25.631 240 HA MET 37 HA MET 37 13.705 -25.802 -25.393 241 HB2 MET 37 HB2 MET 37 15.754 -25.304 -24.084 242 HB3 MET 37 HB3 MET 37 14.877 -24.037 -23.237 243 HG2 MET 37 HG2 MET 37 13.438 -25.603 -22.197 244 HG3 MET 37 HG3 MET 37 14.010 -26.911 -23.231 245 HE1 MET 37 HE1 MET 37 16.230 -28.540 -22.340 246 HE2 MET 37 HE2 MET 37 15.837 -28.621 -20.623 247 HE3 MET 37 HE3 MET 37 14.544 -28.550 -21.821 248 H VAL 38 H VAL 38 11.547 -25.714 -25.531 249 HA VAL 38 HA VAL 38 10.076 -23.472 -24.411 250 HB VAL 38 HB VAL 38 8.962 -25.936 -25.754 251 HG11 VAL 38 HG11 VAL 38 7.701 -23.218 -25.616 252 HG12 VAL 38 HG12 VAL 38 6.945 -24.778 -25.948 253 HG13 VAL 38 HG13 VAL 38 7.495 -24.392 -24.317 254 HG21 VAL 38 HG21 VAL 38 8.747 -24.019 -27.627 255 HG22 VAL 38 HG22 VAL 38 10.257 -23.525 -26.861 256 HG23 VAL 38 HG23 VAL 38 10.101 -25.145 -27.540 257 H GLY 39 H GLY 39 10.937 -24.164 -22.213 258 HA2 GLY 39 HA2 GLY 39 8.857 -25.766 -20.927 259 HA3 GLY 39 HA3 GLY 39 10.519 -26.292 -20.711 260 H ASN 40 H ASN 40 9.592 -22.923 -20.930 261 HA ASN 40 HA ASN 40 10.275 -22.621 -18.080 262 HB2 ASN 40 HB2 ASN 40 10.921 -20.241 -18.787 263 HB3 ASN 40 HB3 ASN 40 12.000 -21.545 -19.274 264 HD21 ASN 40 HD21 ASN 40 12.848 -20.519 -21.028 265 HD22 ASN 40 HD22 ASN 40 11.937 -20.150 -22.449 266 H CYS 41 H CYS 41 9.226 -20.850 -16.949 267 HA CYS 41 HA CYS 41 6.584 -20.197 -18.081 268 HB2 CYS 41 HB2 CYS 41 7.181 -20.557 -15.142 269 HB3 CYS 41 HB3 CYS 41 5.602 -20.389 -15.904 270 H MET 42 H MET 42 5.948 -18.111 -18.034 271 HA MET 42 HA MET 42 7.660 -16.199 -16.587 272 HB2 MET 42 HB2 MET 42 6.688 -16.173 -19.409 273 HB3 MET 42 HB3 MET 42 6.848 -14.637 -18.567 274 HG2 MET 42 HG2 MET 42 9.138 -14.818 -18.388 275 HG3 MET 42 HG3 MET 42 9.116 -16.571 -18.564 276 HE1 MET 42 HE1 MET 42 9.516 -17.291 -22.128 277 HE2 MET 42 HE2 MET 42 10.658 -17.201 -20.786 278 HE3 MET 42 HE3 MET 42 9.037 -17.847 -20.524 279 H CYS 43 H CYS 43 6.543 -14.038 -16.289 280 HA CYS 43 HA CYS 43 4.075 -14.472 -14.938 281 HB2 CYS 43 HB2 CYS 43 5.634 -11.967 -15.583 282 HB3 CYS 43 HB3 CYS 43 4.138 -11.953 -14.654 283 H GLY 44 H GLY 44 2.013 -13.719 -15.426 284 HA2 GLY 44 HA2 GLY 44 1.542 -12.382 -17.964 285 HA3 GLY 44 HA3 GLY 44 0.933 -14.027 -17.853 286 HA PRO 45 HA PRO 45 -2.059 -10.805 -16.035 287 HB2 PRO 45 HB2 PRO 45 -3.881 -10.787 -18.047 288 HB3 PRO 45 HB3 PRO 45 -2.512 -9.672 -17.982 289 HG2 PRO 45 HG2 PRO 45 -2.816 -12.209 -19.541 290 HG3 PRO 45 HG3 PRO 45 -2.136 -10.654 -20.056 291 HD2 PRO 45 HD2 PRO 45 -0.586 -12.751 -19.327 292 HD3 PRO 45 HD3 PRO 45 -0.104 -11.066 -19.048 293 H LYS 46 H LYS 46 -3.714 -11.515 -14.805 294 HA LYS 46 HA LYS 46 -4.418 -14.305 -14.919 295 HB2 LYS 46 HB2 LYS 46 -5.645 -13.891 -12.875 296 HB3 LYS 46 HB3 LYS 46 -4.070 -13.114 -12.773 297 HG2 LYS 46 HG2 LYS 46 -5.301 -11.001 -13.577 298 HG3 LYS 46 HG3 LYS 46 -6.768 -11.865 -13.111 299 HD2 LYS 46 HD2 LYS 46 -4.514 -11.746 -11.169 300 HD3 LYS 46 HD3 LYS 46 -5.489 -10.295 -11.413 301 HE2 LYS 46 HE2 LYS 46 -7.428 -11.321 -10.639 302 HE3 LYS 46 HE3 LYS 46 -6.794 -12.943 -10.911 303 HZ1 LYS 46 HZ1 LYS 46 -5.587 -11.138 -8.908 304 HZ2 LYS 46 HZ2 LYS 46 -5.466 -12.821 -9.020 305 HZ3 LYS 46 HZ3 LYS 46 -6.919 -12.109 -8.526 306 H ALA 47 H ALA 47 -6.372 -15.202 -15.449 307 HA ALA 47 HA ALA 47 -8.180 -13.479 -16.978 308 HB1 ALA 47 HB1 ALA 47 -9.116 -15.908 -17.525 309 HB2 ALA 47 HB2 ALA 47 -7.738 -15.212 -18.378 310 HB3 ALA 47 HB3 ALA 47 -7.474 -16.355 -17.061 Start of MODEL 2 1 H1 SER 1 H SER 1 0.377 -0.117 -3.409 2 HA SER 1 HA SER 1 2.179 0.530 -1.410 3 HB2 SER 1 HB2 SER 1 0.381 -1.861 -1.783 4 HB3 SER 1 HB3 SER 1 1.374 -1.662 -0.339 5 HG SER 1 HG SER 1 -0.813 -0.146 -1.227 6 H LYS 2 H LYS 2 2.057 -2.606 -3.109 7 HA LYS 2 HA LYS 2 4.847 -3.072 -2.377 8 HB2 LYS 2 HB2 LYS 2 2.833 -4.771 -2.213 9 HB3 LYS 2 HB3 LYS 2 3.213 -5.053 -3.906 10 HG2 LYS 2 HG2 LYS 2 5.203 -6.053 -3.440 11 HG3 LYS 2 HG3 LYS 2 5.446 -5.132 -1.955 12 HD2 LYS 2 HD2 LYS 2 3.396 -6.488 -1.098 13 HD3 LYS 2 HD3 LYS 2 3.804 -7.589 -2.417 14 HE2 LYS 2 HE2 LYS 2 4.882 -8.352 -0.410 15 HE3 LYS 2 HE3 LYS 2 6.110 -7.732 -1.513 16 HZ1 LYS 2 HZ1 LYS 2 6.610 -6.033 -0.145 17 HZ2 LYS 2 HZ2 LYS 2 5.979 -7.056 1.046 18 HZ3 LYS 2 HZ3 LYS 2 5.018 -5.826 0.391 19 H GLU 3 H GLU 3 6.219 -4.170 -4.092 20 HA GLU 3 HA GLU 3 5.792 -2.842 -6.688 21 HB2 GLU 3 HB2 GLU 3 8.460 -3.509 -5.440 22 HB3 GLU 3 HB3 GLU 3 8.181 -2.592 -6.914 23 HG2 GLU 3 HG2 GLU 3 7.156 -0.805 -5.648 24 HG3 GLU 3 HG3 GLU 3 7.328 -1.732 -4.159 25 H CYS 4 H CYS 4 5.110 -4.361 -8.060 26 HA CYS 4 HA CYS 4 6.475 -6.971 -8.039 27 HB2 CYS 4 HB2 CYS 4 4.446 -7.865 -9.138 28 HB3 CYS 4 HB3 CYS 4 4.101 -7.179 -7.555 29 H MET 5 H MET 5 5.896 -7.983 -10.438 30 HA MET 5 HA MET 5 7.021 -6.035 -12.342 31 HB2 MET 5 HB2 MET 5 7.445 -9.024 -12.387 32 HB3 MET 5 HB3 MET 5 8.234 -7.825 -13.403 33 HG2 MET 5 HG2 MET 5 9.346 -6.893 -11.438 34 HG3 MET 5 HG3 MET 5 8.558 -8.099 -10.424 35 HE1 MET 5 HE1 MET 5 8.684 -10.480 -10.729 36 HE2 MET 5 HE2 MET 5 9.083 -10.994 -12.368 37 HE3 MET 5 HE3 MET 5 10.199 -11.327 -11.043 38 H THR 6 H THR 6 6.541 -6.545 -14.647 39 HA THR 6 HA THR 6 3.725 -7.290 -14.896 40 HB THR 6 HB THR 6 4.011 -6.335 -17.245 41 HG1 THR 6 HG1 THR 6 6.347 -5.157 -16.136 42 HG21 THR 6 HG21 THR 6 4.489 -4.503 -14.891 43 HG22 THR 6 HG22 THR 6 2.920 -5.101 -15.432 44 HG23 THR 6 HG23 THR 6 3.856 -4.020 -16.465 45 H ASP 7 H ASP 7 3.271 -8.232 -17.238 46 HA ASP 7 HA ASP 7 4.344 -10.851 -17.244 47 HB2 ASP 7 HB2 ASP 7 2.921 -11.277 -19.093 48 HB3 ASP 7 HB3 ASP 7 2.056 -10.119 -18.087 49 H GLY 8 H GLY 8 5.637 -11.890 -18.820 50 HA2 GLY 8 HA2 GLY 8 6.998 -11.819 -20.807 51 HA3 GLY 8 HA3 GLY 8 7.205 -10.094 -20.549 52 H THR 9 H THR 9 7.587 -10.797 -17.583 53 HA THR 9 HA THR 9 10.466 -11.243 -17.818 54 HB THR 9 HB THR 9 8.823 -10.305 -15.457 55 HG1 THR 9 HG1 THR 9 9.722 -8.290 -15.965 56 HG21 THR 9 HG21 THR 9 11.822 -10.466 -15.792 57 HG22 THR 9 HG22 THR 9 10.845 -11.504 -14.754 58 HG23 THR 9 HG23 THR 9 10.969 -9.779 -14.411 59 H VAL 10 H VAL 10 11.316 -13.168 -17.413 60 HA VAL 10 HA VAL 10 9.922 -15.444 -16.710 61 HB VAL 10 HB VAL 10 12.846 -14.907 -16.168 62 HG11 VAL 10 HG11 VAL 10 11.139 -17.309 -15.971 63 HG12 VAL 10 HG12 VAL 10 12.717 -17.526 -16.730 64 HG13 VAL 10 HG13 VAL 10 12.607 -16.883 -15.091 65 HG21 VAL 10 HG21 VAL 10 12.868 -16.355 -18.405 66 HG22 VAL 10 HG22 VAL 10 11.322 -15.536 -18.630 67 HG23 VAL 10 HG23 VAL 10 12.797 -14.594 -18.419 68 H CYS 11 H CYS 11 9.564 -16.580 -14.827 69 HA CYS 11 HA CYS 11 10.394 -15.368 -12.297 70 HB2 CYS 11 HB2 CYS 11 8.118 -15.565 -11.377 71 HB3 CYS 11 HB3 CYS 11 8.174 -14.447 -12.737 72 H TYR 12 H TYR 12 10.277 -16.807 -10.483 73 HA TYR 12 HA TYR 12 10.047 -19.649 -11.221 74 HB2 TYR 12 HB2 TYR 12 12.286 -18.201 -9.900 75 HB3 TYR 12 HB3 TYR 12 11.907 -19.815 -9.309 76 HD1 TYR 12 HD2 TYR 12 12.883 -17.897 -12.323 77 HD2 TYR 12 HD1 TYR 12 12.542 -21.740 -10.528 78 HE1 TYR 12 HE2 TYR 12 14.169 -18.870 -14.179 79 HE2 TYR 12 HE1 TYR 12 13.829 -22.724 -12.380 80 HH TYR 12 HH TYR 12 15.627 -20.934 -14.526 81 H ILE 13 H ILE 13 8.742 -20.800 -9.958 82 HA ILE 13 HA ILE 13 7.269 -19.606 -7.864 83 HB ILE 13 HB ILE 13 7.548 -22.565 -8.371 84 HG12 ILE 13 HG12 ILE 13 6.986 -21.471 -10.470 85 HG13 ILE 13 HG13 ILE 13 5.574 -22.317 -9.846 86 HG21 ILE 13 HG21 ILE 13 4.932 -21.729 -7.625 87 HG22 ILE 13 HG22 ILE 13 6.040 -22.795 -6.763 88 HG23 ILE 13 HG23 ILE 13 6.089 -21.057 -6.476 89 HD11 ILE 13 HD11 ILE 13 6.112 -19.366 -9.853 90 HD12 ILE 13 HD12 ILE 13 4.808 -20.246 -10.651 91 HD13 ILE 13 HD13 ILE 13 4.830 -20.105 -8.894 92 H HIS 14 H HIS 14 10.282 -21.271 -7.938 93 HA HIS 14 HA HIS 14 10.268 -21.520 -5.007 94 HB2 HIS 14 HB2 HIS 14 10.799 -23.504 -6.667 95 HB3 HIS 14 HB3 HIS 14 12.396 -22.760 -6.700 96 HD1 HIS 14 HD1 HIS 14 13.820 -24.171 -5.249 97 HD2 HIS 14 HD2 HIS 14 10.096 -23.464 -3.548 98 HE1 HIS 14 HE1 HIS 14 13.916 -25.215 -2.964 99 H ASN 15 H ASN 15 10.701 -19.033 -6.471 100 HA ASN 15 HA ASN 15 13.420 -18.448 -5.508 101 HB2 ASN 15 HB2 ASN 15 13.221 -18.548 -8.041 102 HB3 ASN 15 HB3 ASN 15 12.185 -17.128 -7.927 103 HD21 ASN 15 HD21 ASN 15 13.097 -15.183 -7.817 104 HD22 ASN 15 HD22 ASN 15 14.791 -14.886 -7.641 105 H HIS 16 H HIS 16 10.571 -18.106 -4.481 106 HA HIS 16 HA HIS 16 9.321 -16.562 -3.361 107 HB2 HIS 16 HB2 HIS 16 12.122 -15.515 -3.001 108 HB3 HIS 16 HB3 HIS 16 10.739 -14.722 -2.253 109 HD1 HIS 16 HD1 HIS 16 9.493 -16.045 -0.374 110 HD2 HIS 16 HD2 HIS 16 12.943 -17.874 -1.795 111 HE1 HIS 16 HE1 HIS 16 10.045 -17.834 1.304 112 H ASN 17 H ASN 17 9.649 -16.186 -6.240 113 HA ASN 17 HA ASN 17 9.798 -13.334 -6.670 114 HB2 ASN 17 HB2 ASN 17 9.452 -15.743 -8.393 115 HB3 ASN 17 HB3 ASN 17 8.893 -14.195 -9.019 116 HD21 ASN 17 HD21 ASN 17 10.699 -12.430 -8.168 117 HD22 ASN 17 HD22 ASN 17 12.270 -12.799 -8.785 118 H ASP 18 H ASP 18 8.164 -11.970 -6.434 119 HA ASP 18 HA ASP 18 5.425 -13.047 -6.410 120 HB2 ASP 18 HB2 ASP 18 5.943 -12.063 -4.294 121 HB3 ASP 18 HB3 ASP 18 6.629 -10.631 -5.058 122 H CYS 19 H CYS 19 4.510 -12.779 -8.343 123 HA CYS 19 HA CYS 19 4.911 -10.213 -9.734 124 HB2 CYS 19 HB2 CYS 19 4.775 -13.003 -10.677 125 HB3 CYS 19 HB3 CYS 19 3.864 -11.848 -11.644 126 H CYS 20 H CYS 20 3.194 -8.958 -10.155 127 HA CYS 20 HA CYS 20 0.783 -9.238 -8.838 128 HB2 CYS 20 HB2 CYS 20 1.741 -7.582 -11.114 129 HB3 CYS 20 HB3 CYS 20 0.000 -7.670 -10.865 130 H GLY 21 H GLY 21 1.787 -10.570 -11.893 131 HA2 GLY 21 HA2 GLY 21 -0.950 -11.505 -12.430 132 HA3 GLY 21 HA3 GLY 21 0.368 -11.477 -13.593 133 H SER 22 H SER 22 -0.947 -13.739 -13.573 134 HA SER 22 HA SER 22 0.357 -15.592 -11.722 135 HB2 SER 22 HB2 SER 22 -2.153 -15.576 -13.237 136 HB3 SER 22 HB3 SER 22 -1.301 -17.118 -13.310 137 HG SER 22 HG SER 22 -2.812 -16.722 -11.478 138 H CYS 23 H CYS 23 1.839 -17.072 -12.329 139 HA CYS 23 HA CYS 23 3.205 -16.720 -14.796 140 HB2 CYS 23 HB2 CYS 23 3.450 -18.694 -12.539 141 HB3 CYS 23 HB3 CYS 23 4.417 -18.860 -14.002 142 H LEU 24 H LEU 24 2.930 -17.690 -16.701 143 HA LEU 24 HA LEU 24 1.138 -20.025 -16.818 144 HB2 LEU 24 HB2 LEU 24 1.512 -17.764 -18.767 145 HB3 LEU 24 HB3 LEU 24 0.650 -19.249 -19.162 146 HG LEU 24 HG LEU 24 -0.144 -17.267 -17.028 147 HD11 LEU 24 HD11 LEU 24 -2.164 -17.183 -18.722 148 HD12 LEU 24 HD12 LEU 24 -0.910 -17.640 -19.875 149 HD13 LEU 24 HD13 LEU 24 -0.742 -16.160 -18.931 150 HD21 LEU 24 HD21 LEU 24 -1.494 -18.829 -16.220 151 HD22 LEU 24 HD22 LEU 24 -0.792 -19.999 -17.338 152 HD23 LEU 24 HD23 LEU 24 -2.212 -19.066 -17.814 153 H CYS 25 H CYS 25 2.077 -21.844 -17.445 154 HA CYS 25 HA CYS 25 4.701 -21.751 -18.705 155 HB2 CYS 25 HB2 CYS 25 3.151 -24.197 -17.847 156 HB3 CYS 25 HB3 CYS 25 4.877 -24.081 -18.168 157 H SER 26 H SER 26 5.066 -22.128 -20.795 158 HA SER 26 HA SER 26 2.804 -22.693 -22.526 159 HB2 SER 26 HB2 SER 26 4.794 -20.964 -22.865 160 HB3 SER 26 HB3 SER 26 5.571 -22.366 -23.600 161 HG SER 26 HG SER 26 4.347 -22.097 -25.277 162 H ASN 27 H ASN 27 2.310 -24.661 -23.207 163 HA ASN 27 HA ASN 27 4.445 -26.688 -23.327 164 HB2 ASN 27 HB2 ASN 27 2.655 -26.919 -21.473 165 HB3 ASN 27 HB3 ASN 27 1.567 -27.374 -22.782 166 HD21 ASN 27 HD21 ASN 27 1.281 -29.466 -22.171 167 HD22 ASN 27 HD22 ASN 27 2.538 -30.652 -22.202 168 H GLY 28 H GLY 28 3.397 -24.878 -25.412 169 HA2 GLY 28 HA2 GLY 28 1.627 -26.085 -27.173 170 HA3 GLY 28 HA3 GLY 28 2.930 -25.007 -27.655 171 HA PRO 29 HA PRO 29 3.606 -29.372 -29.297 172 HB2 PRO 29 HB2 PRO 29 3.472 -28.737 -31.933 173 HB3 PRO 29 HB3 PRO 29 2.056 -29.204 -30.984 174 HG2 PRO 29 HG2 PRO 29 3.002 -26.471 -31.758 175 HG3 PRO 29 HG3 PRO 29 1.355 -27.129 -31.767 176 HD2 PRO 29 HD2 PRO 29 2.273 -25.527 -29.786 177 HD3 PRO 29 HD3 PRO 29 1.081 -26.811 -29.500 178 H ILE 30 H ILE 30 5.665 -29.981 -29.518 179 HA ILE 30 HA ILE 30 7.585 -28.052 -30.649 180 HB ILE 30 HB ILE 30 9.300 -29.143 -29.152 181 HG12 ILE 30 HG12 ILE 30 7.344 -29.929 -27.152 182 HG13 ILE 30 HG13 ILE 30 7.198 -30.899 -28.614 183 HG21 ILE 30 HG21 ILE 30 8.760 -27.019 -28.465 184 HG22 ILE 30 HG22 ILE 30 7.063 -27.421 -28.198 185 HG23 ILE 30 HG23 ILE 30 8.287 -27.957 -27.047 186 HD11 ILE 30 HD11 ILE 30 8.941 -32.105 -28.005 187 HD12 ILE 30 HD12 ILE 30 9.953 -30.662 -27.945 188 HD13 ILE 30 HD13 ILE 30 9.052 -31.167 -26.516 189 H ALA 31 H ALA 31 8.424 -28.750 -32.489 190 HA ALA 31 HA ALA 31 8.666 -31.654 -32.923 191 HB1 ALA 31 HB1 ALA 31 8.609 -31.124 -35.341 192 HB2 ALA 31 HB2 ALA 31 7.135 -30.659 -34.491 193 HB3 ALA 31 HB3 ALA 31 8.324 -29.433 -34.931 194 H ARG 32 H ARG 32 10.341 -28.622 -32.855 195 HA ARG 32 HA ARG 32 12.856 -30.042 -33.405 196 HB2 ARG 32 HB2 ARG 32 11.975 -27.374 -34.500 197 HB3 ARG 32 HB3 ARG 32 13.659 -27.876 -34.470 198 HG2 ARG 32 HG2 ARG 32 13.369 -29.446 -36.102 199 HG3 ARG 32 HG3 ARG 32 11.666 -29.697 -35.711 200 HD2 ARG 32 HD2 ARG 32 11.248 -27.370 -36.596 201 HD3 ARG 32 HD3 ARG 32 12.905 -27.392 -37.200 202 HE ARG 32 HE ARG 32 11.649 -29.690 -38.135 203 HH11 ARG 32 HH11 ARG 32 11.365 -26.238 -38.485 204 HH12 ARG 32 HH12 ARG 32 10.730 -26.323 -40.094 205 HH21 ARG 32 HH21 ARG 32 10.813 -29.815 -40.253 206 HH22 ARG 32 HH22 ARG 32 10.415 -28.358 -41.098 207 HA PRO 33 HA PRO 33 12.985 -27.796 -29.342 208 HB2 PRO 33 HB2 PRO 33 14.071 -29.867 -27.965 209 HB3 PRO 33 HB3 PRO 33 12.329 -29.677 -28.197 210 HG2 PRO 33 HG2 PRO 33 14.259 -31.415 -29.686 211 HG3 PRO 33 HG3 PRO 33 12.629 -31.798 -29.103 212 HD2 PRO 33 HD2 PRO 33 13.140 -31.155 -31.684 213 HD3 PRO 33 HD3 PRO 33 11.609 -30.746 -30.883 214 H TRP 34 H TRP 34 15.221 -29.392 -31.410 215 HA TRP 34 HA TRP 34 17.613 -28.853 -29.987 216 HB2 TRP 34 HB2 TRP 34 16.976 -29.536 -32.841 217 HB3 TRP 34 HB3 TRP 34 18.612 -29.075 -32.382 218 HD1 TRP 34 HD1 TRP 34 15.968 -31.643 -31.130 219 HE1 TRP 34 HE1 TRP 34 17.211 -33.812 -30.522 220 HE3 TRP 34 HE3 TRP 34 20.754 -30.141 -32.116 221 HZ2 TRP 34 HZ2 TRP 34 19.869 -34.762 -30.467 222 HZ3 TRP 34 HZ3 TRP 34 22.589 -31.741 -31.759 223 HH2 TRP 34 HH2 TRP 34 22.154 -34.002 -30.950 224 H GLU 35 H GLU 35 15.565 -26.940 -32.025 225 HA GLU 35 HA GLU 35 17.556 -24.769 -31.984 226 HB2 GLU 35 HB2 GLU 35 16.449 -23.842 -33.939 227 HB3 GLU 35 HB3 GLU 35 16.919 -25.508 -34.248 228 HG2 GLU 35 HG2 GLU 35 14.635 -26.242 -33.854 229 HG3 GLU 35 HG3 GLU 35 14.153 -24.584 -33.499 230 H MET 36 H MET 36 14.206 -25.641 -31.386 231 HA MET 36 HA MET 36 13.868 -23.086 -29.958 232 HB2 MET 36 HB2 MET 36 12.022 -24.522 -31.818 233 HB3 MET 36 HB3 MET 36 11.335 -23.595 -30.492 234 HG2 MET 36 HG2 MET 36 13.301 -22.423 -32.432 235 HG3 MET 36 HG3 MET 36 11.561 -22.418 -32.716 236 HE1 MET 36 HE1 MET 36 14.079 -19.599 -30.462 237 HE2 MET 36 HE2 MET 36 14.439 -20.829 -31.673 238 HE3 MET 36 HE3 MET 36 13.541 -19.380 -32.127 239 H MET 37 H MET 37 14.352 -23.853 -27.931 240 HA MET 37 HA MET 37 12.856 -26.166 -26.935 241 HB2 MET 37 HB2 MET 37 15.383 -25.911 -26.631 242 HB3 MET 37 HB3 MET 37 15.005 -24.658 -25.456 243 HG2 MET 37 HG2 MET 37 15.340 -26.611 -24.211 244 HG3 MET 37 HG3 MET 37 13.594 -26.383 -24.268 245 HE1 MET 37 HE1 MET 37 14.545 -28.647 -23.198 246 HE2 MET 37 HE2 MET 37 13.263 -29.650 -23.876 247 HE3 MET 37 HE3 MET 37 14.953 -30.083 -24.138 248 H VAL 38 H VAL 38 10.926 -25.691 -26.113 249 HA VAL 38 HA VAL 38 10.664 -23.254 -24.472 250 HB VAL 38 HB VAL 38 8.485 -24.669 -26.014 251 HG11 VAL 38 HG11 VAL 38 8.503 -22.480 -24.026 252 HG12 VAL 38 HG12 VAL 38 7.450 -22.276 -25.427 253 HG13 VAL 38 HG13 VAL 38 7.263 -23.683 -24.380 254 HG21 VAL 38 HG21 VAL 38 9.294 -23.563 -27.775 255 HG22 VAL 38 HG22 VAL 38 8.726 -22.093 -26.985 256 HG23 VAL 38 HG23 VAL 38 10.396 -22.618 -26.774 257 H GLY 39 H GLY 39 9.579 -23.381 -22.512 258 HA2 GLY 39 HA2 GLY 39 8.071 -25.473 -21.522 259 HA3 GLY 39 HA3 GLY 39 9.741 -25.886 -21.164 260 H ASN 40 H ASN 40 10.505 -23.057 -20.839 261 HA ASN 40 HA ASN 40 10.157 -22.831 -18.072 262 HB2 ASN 40 HB2 ASN 40 10.943 -20.420 -18.473 263 HB3 ASN 40 HB3 ASN 40 12.022 -21.715 -18.986 264 HD21 ASN 40 HD21 ASN 40 13.067 -20.793 -20.636 265 HD22 ASN 40 HD22 ASN 40 12.310 -20.161 -22.054 266 H CYS 41 H CYS 41 9.189 -20.877 -16.977 267 HA CYS 41 HA CYS 41 6.604 -20.182 -18.209 268 HB2 CYS 41 HB2 CYS 41 7.057 -20.575 -15.248 269 HB3 CYS 41 HB3 CYS 41 5.519 -20.356 -16.078 270 H MET 42 H MET 42 5.910 -18.091 -18.018 271 HA MET 42 HA MET 42 7.667 -16.228 -16.567 272 HB2 MET 42 HB2 MET 42 6.613 -16.050 -19.372 273 HB3 MET 42 HB3 MET 42 7.010 -14.592 -18.473 274 HG2 MET 42 HG2 MET 42 9.246 -14.988 -18.536 275 HG3 MET 42 HG3 MET 42 9.047 -16.739 -18.573 276 HE1 MET 42 HE1 MET 42 8.696 -18.099 -20.222 277 HE2 MET 42 HE2 MET 42 7.764 -17.660 -21.654 278 HE3 MET 42 HE3 MET 42 9.513 -17.863 -21.769 279 H CYS 43 H CYS 43 6.565 -14.031 -16.299 280 HA CYS 43 HA CYS 43 4.101 -14.451 -14.930 281 HB2 CYS 43 HB2 CYS 43 5.689 -11.967 -15.574 282 HB3 CYS 43 HB3 CYS 43 4.184 -11.924 -14.662 283 H GLY 44 H GLY 44 2.042 -13.703 -15.419 284 HA2 GLY 44 HA2 GLY 44 1.564 -12.336 -17.936 285 HA3 GLY 44 HA3 GLY 44 0.975 -13.991 -17.862 286 HA PRO 45 HA PRO 45 -2.068 -10.846 -15.992 287 HB2 PRO 45 HB2 PRO 45 -3.882 -10.814 -18.011 288 HB3 PRO 45 HB3 PRO 45 -2.528 -9.682 -17.919 289 HG2 PRO 45 HG2 PRO 45 -2.791 -12.192 -19.528 290 HG3 PRO 45 HG3 PRO 45 -2.132 -10.619 -20.010 291 HD2 PRO 45 HD2 PRO 45 -0.555 -12.708 -19.316 292 HD3 PRO 45 HD3 PRO 45 -0.098 -11.022 -19.002 293 H LYS 46 H LYS 46 -3.730 -11.595 -14.793 294 HA LYS 46 HA LYS 46 -4.407 -14.396 -14.992 295 HB2 LYS 46 HB2 LYS 46 -5.495 -14.127 -12.892 296 HB3 LYS 46 HB3 LYS 46 -4.015 -13.180 -12.817 297 HG2 LYS 46 HG2 LYS 46 -5.297 -11.146 -13.264 298 HG3 LYS 46 HG3 LYS 46 -6.781 -12.100 -13.326 299 HD2 LYS 46 HD2 LYS 46 -4.996 -12.172 -10.918 300 HD3 LYS 46 HD3 LYS 46 -6.185 -10.885 -11.130 301 HE2 LYS 46 HE2 LYS 46 -7.037 -13.727 -11.440 302 HE3 LYS 46 HE3 LYS 46 -6.790 -13.077 -9.820 303 HZ1 LYS 46 HZ1 LYS 46 -9.099 -12.875 -10.631 304 HZ2 LYS 46 HZ2 LYS 46 -8.561 -11.844 -11.858 305 HZ3 LYS 46 HZ3 LYS 46 -8.404 -11.383 -10.238 306 H ALA 47 H ALA 47 -6.468 -15.253 -15.330 307 HA ALA 47 HA ALA 47 -8.226 -13.529 -16.914 308 HB1 ALA 47 HB1 ALA 47 -7.295 -15.923 -17.561 309 HB2 ALA 47 HB2 ALA 47 -8.729 -16.445 -16.675 310 HB3 ALA 47 HB3 ALA 47 -8.893 -15.376 -18.068 Start of MODEL 3 1 H1 SER 1 H SER 1 0.581 0.609 -2.153 2 HA SER 1 HA SER 1 2.179 0.812 -4.337 3 HB2 SER 1 HB2 SER 1 3.799 1.795 -2.973 4 HB3 SER 1 HB3 SER 1 2.331 1.985 -2.014 5 HG SER 1 HG SER 1 3.366 0.938 -0.527 6 H LYS 2 H LYS 2 1.402 -1.973 -3.947 7 HA LYS 2 HA LYS 2 3.505 -3.615 -3.139 8 HB2 LYS 2 HB2 LYS 2 1.134 -4.302 -3.713 9 HB3 LYS 2 HB3 LYS 2 1.608 -4.231 -5.405 10 HG2 LYS 2 HG2 LYS 2 3.527 -5.834 -4.602 11 HG3 LYS 2 HG3 LYS 2 2.390 -6.173 -3.294 12 HD2 LYS 2 HD2 LYS 2 1.483 -6.239 -6.147 13 HD3 LYS 2 HD3 LYS 2 2.327 -7.622 -5.448 14 HE2 LYS 2 HE2 LYS 2 0.634 -7.608 -3.602 15 HE3 LYS 2 HE3 LYS 2 -0.251 -6.378 -4.503 16 HZ1 LYS 2 HZ1 LYS 2 0.071 -8.244 -6.376 17 HZ2 LYS 2 HZ2 LYS 2 -1.281 -8.160 -5.363 18 HZ3 LYS 2 HZ3 LYS 2 -0.017 -9.225 -5.000 19 H GLU 3 H GLU 3 5.429 -4.099 -3.982 20 HA GLU 3 HA GLU 3 6.120 -2.969 -6.590 21 HB2 GLU 3 HB2 GLU 3 7.735 -3.918 -4.240 22 HB3 GLU 3 HB3 GLU 3 8.483 -3.689 -5.815 23 HG2 GLU 3 HG2 GLU 3 7.035 -1.580 -4.229 24 HG3 GLU 3 HG3 GLU 3 8.783 -1.742 -4.385 25 H CYS 4 H CYS 4 5.308 -4.425 -8.056 26 HA CYS 4 HA CYS 4 6.530 -7.105 -7.999 27 HB2 CYS 4 HB2 CYS 4 4.501 -7.989 -9.071 28 HB3 CYS 4 HB3 CYS 4 4.141 -7.278 -7.501 29 H MET 5 H MET 5 5.902 -8.055 -10.424 30 HA MET 5 HA MET 5 7.014 -6.068 -12.296 31 HB2 MET 5 HB2 MET 5 7.477 -9.050 -12.407 32 HB3 MET 5 HB3 MET 5 8.255 -7.814 -13.387 33 HG2 MET 5 HG2 MET 5 9.365 -6.928 -11.410 34 HG3 MET 5 HG3 MET 5 8.570 -8.144 -10.414 35 HE1 MET 5 HE1 MET 5 8.712 -10.533 -10.736 36 HE2 MET 5 HE2 MET 5 9.068 -10.993 -12.401 37 HE3 MET 5 HE3 MET 5 10.212 -11.380 -11.115 38 H THR 6 H THR 6 6.528 -6.549 -14.606 39 HA THR 6 HA THR 6 3.715 -7.305 -14.852 40 HB THR 6 HB THR 6 3.965 -6.340 -17.184 41 HG1 THR 6 HG1 THR 6 5.838 -5.454 -17.751 42 HG21 THR 6 HG21 THR 6 3.508 -4.199 -16.445 43 HG22 THR 6 HG22 THR 6 4.726 -4.265 -15.171 44 HG23 THR 6 HG23 THR 6 3.207 -5.141 -14.985 45 H ASP 7 H ASP 7 3.254 -8.247 -17.190 46 HA ASP 7 HA ASP 7 4.334 -10.867 -17.198 47 HB2 ASP 7 HB2 ASP 7 2.932 -11.269 -19.110 48 HB3 ASP 7 HB3 ASP 7 2.037 -10.251 -17.985 49 H GLY 8 H GLY 8 5.609 -11.904 -18.790 50 HA2 GLY 8 HA2 GLY 8 6.943 -11.832 -20.795 51 HA3 GLY 8 HA3 GLY 8 7.140 -10.103 -20.549 52 H THR 9 H THR 9 7.573 -10.783 -17.586 53 HA THR 9 HA THR 9 10.452 -11.199 -17.859 54 HB THR 9 HB THR 9 8.829 -10.295 -15.472 55 HG1 THR 9 HG1 THR 9 10.644 -8.788 -17.063 56 HG21 THR 9 HG21 THR 9 10.883 -11.465 -14.808 57 HG22 THR 9 HG22 THR 9 10.980 -9.741 -14.454 58 HG23 THR 9 HG23 THR 9 11.824 -10.403 -15.853 59 H VAL 10 H VAL 10 11.355 -13.098 -17.439 60 HA VAL 10 HA VAL 10 10.009 -15.408 -16.753 61 HB VAL 10 HB VAL 10 12.916 -14.814 -16.182 62 HG11 VAL 10 HG11 VAL 10 11.420 -17.414 -16.491 63 HG12 VAL 10 HG12 VAL 10 13.178 -17.270 -16.430 64 HG13 VAL 10 HG13 VAL 10 12.206 -16.805 -15.034 65 HG21 VAL 10 HG21 VAL 10 13.149 -14.664 -18.390 66 HG22 VAL 10 HG22 VAL 10 12.692 -16.365 -18.490 67 HG23 VAL 10 HG23 VAL 10 11.463 -15.110 -18.658 68 H CYS 11 H CYS 11 9.598 -16.521 -14.884 69 HA CYS 11 HA CYS 11 10.431 -15.339 -12.339 70 HB2 CYS 11 HB2 CYS 11 8.153 -15.500 -11.433 71 HB3 CYS 11 HB3 CYS 11 8.219 -14.394 -12.801 72 H TYR 12 H TYR 12 10.285 -16.791 -10.538 73 HA TYR 12 HA TYR 12 10.021 -19.623 -11.297 74 HB2 TYR 12 HB2 TYR 12 12.277 -18.216 -9.960 75 HB3 TYR 12 HB3 TYR 12 11.875 -19.829 -9.382 76 HD1 TYR 12 HD1 TYR 12 11.924 -21.751 -11.003 77 HD2 TYR 12 HD2 TYR 12 13.449 -17.903 -11.988 78 HE1 TYR 12 HE1 TYR 12 13.199 -22.738 -12.860 79 HE2 TYR 12 HE2 TYR 12 14.728 -18.879 -13.849 80 HH TYR 12 HH TYR 12 14.628 -22.369 -14.514 81 H ILE 13 H ILE 13 8.723 -20.782 -10.030 82 HA ILE 13 HA ILE 13 7.245 -19.580 -7.941 83 HB ILE 13 HB ILE 13 7.512 -22.542 -8.446 84 HG12 ILE 13 HG12 ILE 13 6.966 -21.446 -10.550 85 HG13 ILE 13 HG13 ILE 13 5.546 -22.284 -9.933 86 HG21 ILE 13 HG21 ILE 13 5.175 -22.554 -7.574 87 HG22 ILE 13 HG22 ILE 13 6.389 -22.072 -6.389 88 HG23 ILE 13 HG23 ILE 13 5.376 -20.852 -7.160 89 HD11 ILE 13 HD11 ILE 13 5.125 -19.860 -8.879 90 HD12 ILE 13 HD12 ILE 13 6.031 -19.409 -10.325 91 HD13 ILE 13 HD13 ILE 13 4.544 -20.346 -10.471 92 H HIS 14 H HIS 14 10.244 -21.276 -8.008 93 HA HIS 14 HA HIS 14 10.222 -21.522 -5.076 94 HB2 HIS 14 HB2 HIS 14 10.735 -23.517 -6.708 95 HB3 HIS 14 HB3 HIS 14 12.330 -22.776 -6.794 96 HD1 HIS 14 HD1 HIS 14 13.753 -24.261 -5.402 97 HD2 HIS 14 HD2 HIS 14 10.156 -23.347 -3.535 98 HE1 HIS 14 HE1 HIS 14 13.920 -25.253 -3.096 99 H ASN 15 H ASN 15 10.669 -19.033 -6.520 100 HA ASN 15 HA ASN 15 13.393 -18.468 -5.561 101 HB2 ASN 15 HB2 ASN 15 13.178 -18.548 -8.097 102 HB3 ASN 15 HB3 ASN 15 12.161 -17.116 -7.963 103 HD21 ASN 15 HD21 ASN 15 13.096 -15.181 -7.824 104 HD22 ASN 15 HD22 ASN 15 14.794 -14.909 -7.661 105 H HIS 16 H HIS 16 10.548 -18.119 -4.523 106 HA HIS 16 HA HIS 16 9.309 -16.578 -3.388 107 HB2 HIS 16 HB2 HIS 16 12.107 -15.512 -3.036 108 HB3 HIS 16 HB3 HIS 16 10.717 -14.772 -2.246 109 HD1 HIS 16 HD1 HIS 16 9.210 -16.820 -0.927 110 HD2 HIS 16 HD2 HIS 16 13.319 -17.241 -1.370 111 HE1 HIS 16 HE1 HIS 16 9.909 -18.481 0.827 112 H ASN 17 H ASN 17 9.632 -16.182 -6.266 113 HA ASN 17 HA ASN 17 9.788 -13.325 -6.668 114 HB2 ASN 17 HB2 ASN 17 9.441 -15.717 -8.416 115 HB3 ASN 17 HB3 ASN 17 8.892 -14.160 -9.029 116 HD21 ASN 17 HD21 ASN 17 10.705 -12.413 -8.150 117 HD22 ASN 17 HD22 ASN 17 12.276 -12.784 -8.766 118 H ASP 18 H ASP 18 8.154 -11.959 -6.446 119 HA ASP 18 HA ASP 18 5.415 -13.037 -6.420 120 HB2 ASP 18 HB2 ASP 18 6.525 -10.532 -5.137 121 HB3 ASP 18 HB3 ASP 18 4.832 -11.016 -5.100 122 H CYS 19 H CYS 19 4.500 -12.771 -8.353 123 HA CYS 19 HA CYS 19 4.899 -10.206 -9.747 124 HB2 CYS 19 HB2 CYS 19 4.759 -13.000 -10.688 125 HB3 CYS 19 HB3 CYS 19 3.856 -11.839 -11.658 126 H CYS 20 H CYS 20 3.184 -8.946 -10.143 127 HA CYS 20 HA CYS 20 0.770 -9.240 -8.836 128 HB2 CYS 20 HB2 CYS 20 1.717 -7.568 -11.111 129 HB3 CYS 20 HB3 CYS 20 -0.018 -7.643 -10.824 130 H GLY 21 H GLY 21 1.781 -10.539 -11.903 131 HA2 GLY 21 HA2 GLY 21 -0.955 -11.459 -12.464 132 HA3 GLY 21 HA3 GLY 21 0.374 -11.436 -13.616 133 H SER 22 H SER 22 -0.956 -13.688 -13.620 134 HA SER 22 HA SER 22 0.317 -15.559 -11.766 135 HB2 SER 22 HB2 SER 22 -2.174 -15.524 -13.317 136 HB3 SER 22 HB3 SER 22 -1.331 -17.071 -13.368 137 HG SER 22 HG SER 22 -1.924 -15.661 -10.979 138 H CYS 23 H CYS 23 1.836 -16.997 -12.357 139 HA CYS 23 HA CYS 23 3.191 -16.660 -14.831 140 HB2 CYS 23 HB2 CYS 23 3.471 -18.583 -12.536 141 HB3 CYS 23 HB3 CYS 23 4.426 -18.782 -14.002 142 H LEU 24 H LEU 24 2.931 -17.665 -16.720 143 HA LEU 24 HA LEU 24 1.139 -20.003 -16.805 144 HB2 LEU 24 HB2 LEU 24 1.585 -17.795 -18.799 145 HB3 LEU 24 HB3 LEU 24 0.739 -19.290 -19.195 146 HG LEU 24 HG LEU 24 -0.128 -17.240 -17.157 147 HD11 LEU 24 HD11 LEU 24 -2.114 -17.286 -18.904 148 HD12 LEU 24 HD12 LEU 24 -0.814 -17.755 -19.998 149 HD13 LEU 24 HD13 LEU 24 -0.715 -16.233 -19.112 150 HD21 LEU 24 HD21 LEU 24 -1.417 -18.814 -16.277 151 HD22 LEU 24 HD22 LEU 24 -0.767 -20.003 -17.405 152 HD23 LEU 24 HD23 LEU 24 -2.187 -19.053 -17.845 153 H CYS 25 H CYS 25 2.162 -21.836 -17.222 154 HA CYS 25 HA CYS 25 4.778 -21.810 -18.481 155 HB2 CYS 25 HB2 CYS 25 3.198 -24.183 -17.476 156 HB3 CYS 25 HB3 CYS 25 4.919 -24.136 -17.847 157 H SER 26 H SER 26 5.176 -22.297 -20.542 158 HA SER 26 HA SER 26 2.961 -22.867 -22.306 159 HB2 SER 26 HB2 SER 26 5.104 -21.346 -22.685 160 HB3 SER 26 HB3 SER 26 5.786 -22.861 -23.276 161 HG SER 26 HG SER 26 4.244 -22.947 -24.845 162 H ASN 27 H ASN 27 2.268 -24.866 -22.634 163 HA ASN 27 HA ASN 27 4.189 -27.085 -22.447 164 HB2 ASN 27 HB2 ASN 27 2.195 -27.071 -20.898 165 HB3 ASN 27 HB3 ASN 27 1.176 -27.272 -22.321 166 HD21 ASN 27 HD21 ASN 27 0.763 -29.261 -22.980 167 HD22 ASN 27 HD22 ASN 27 1.604 -30.685 -22.476 168 H GLY 28 H GLY 28 3.755 -25.347 -24.796 169 HA2 GLY 28 HA2 GLY 28 2.190 -26.487 -26.780 170 HA3 GLY 28 HA3 GLY 28 3.685 -25.611 -27.075 171 HA PRO 29 HA PRO 29 4.066 -30.153 -28.280 172 HB2 PRO 29 HB2 PRO 29 4.448 -29.746 -30.937 173 HB3 PRO 29 HB3 PRO 29 2.847 -29.966 -30.220 174 HG2 PRO 29 HG2 PRO 29 4.240 -27.435 -31.004 175 HG3 PRO 29 HG3 PRO 29 2.548 -27.905 -31.254 176 HD2 PRO 29 HD2 PRO 29 3.318 -26.244 -29.259 177 HD3 PRO 29 HD3 PRO 29 1.947 -27.358 -29.097 178 H ILE 30 H ILE 30 6.044 -30.974 -28.039 179 HA ILE 30 HA ILE 30 8.358 -29.272 -28.627 180 HB ILE 30 HB ILE 30 8.222 -31.799 -26.979 181 HG12 ILE 30 HG12 ILE 30 8.602 -28.970 -25.999 182 HG13 ILE 30 HG13 ILE 30 7.021 -29.740 -26.083 183 HG21 ILE 30 HG21 ILE 30 10.418 -31.710 -27.681 184 HG22 ILE 30 HG22 ILE 30 10.444 -29.948 -27.722 185 HG23 ILE 30 HG23 ILE 30 10.483 -30.794 -26.175 186 HD11 ILE 30 HD11 ILE 30 7.804 -29.946 -23.858 187 HD12 ILE 30 HD12 ILE 30 7.927 -31.541 -24.603 188 HD13 ILE 30 HD13 ILE 30 9.371 -30.550 -24.397 189 H ALA 31 H ALA 31 8.940 -29.568 -30.705 190 HA ALA 31 HA ALA 31 9.244 -32.334 -31.670 191 HB1 ALA 31 HB1 ALA 31 9.463 -30.477 -33.807 192 HB2 ALA 31 HB2 ALA 31 8.211 -31.686 -33.522 193 HB3 ALA 31 HB3 ALA 31 8.036 -30.061 -32.858 194 H ARG 32 H ARG 32 10.839 -29.249 -31.234 195 HA ARG 32 HA ARG 32 13.417 -30.550 -31.569 196 HB2 ARG 32 HB2 ARG 32 12.748 -28.039 -33.112 197 HB3 ARG 32 HB3 ARG 32 14.271 -28.920 -33.137 198 HG2 ARG 32 HG2 ARG 32 12.972 -30.883 -34.057 199 HG3 ARG 32 HG3 ARG 32 11.624 -29.764 -34.276 200 HD2 ARG 32 HD2 ARG 32 13.447 -28.314 -35.488 201 HD3 ARG 32 HD3 ARG 32 14.259 -29.869 -35.668 202 HE ARG 32 HE ARG 32 11.875 -28.983 -37.022 203 HH11 ARG 32 HH11 ARG 32 13.774 -31.724 -36.022 204 HH12 ARG 32 HH12 ARG 32 13.132 -32.778 -37.238 205 HH21 ARG 32 HH21 ARG 32 11.022 -30.360 -38.628 206 HH22 ARG 32 HH22 ARG 32 11.567 -32.001 -38.721 207 HA PRO 33 HA PRO 33 13.165 -27.504 -28.072 208 HB2 PRO 33 HB2 PRO 33 14.241 -29.179 -26.227 209 HB3 PRO 33 HB3 PRO 33 12.513 -29.139 -26.596 210 HG2 PRO 33 HG2 PRO 33 14.614 -31.037 -27.567 211 HG3 PRO 33 HG3 PRO 33 12.965 -31.382 -27.014 212 HD2 PRO 33 HD2 PRO 33 13.627 -31.263 -29.637 213 HD3 PRO 33 HD3 PRO 33 12.028 -30.783 -29.033 214 H TRP 34 H TRP 34 15.615 -29.398 -29.586 215 HA TRP 34 HA TRP 34 17.868 -28.407 -28.179 216 HB2 TRP 34 HB2 TRP 34 17.489 -29.749 -30.842 217 HB3 TRP 34 HB3 TRP 34 19.067 -29.125 -30.366 218 HD1 TRP 34 HD1 TRP 34 16.397 -31.354 -28.611 219 HE1 TRP 34 HE1 TRP 34 17.631 -33.322 -27.501 220 HE3 TRP 34 HE3 TRP 34 21.188 -30.163 -29.943 221 HZ2 TRP 34 HZ2 TRP 34 20.284 -34.247 -27.225 222 HZ3 TRP 34 HZ3 TRP 34 23.016 -31.642 -29.215 223 HH2 TRP 34 HH2 TRP 34 22.571 -33.640 -27.885 224 H GLU 35 H GLU 35 15.907 -27.144 -30.745 225 HA GLU 35 HA GLU 35 17.857 -25.094 -31.431 226 HB2 GLU 35 HB2 GLU 35 15.052 -25.518 -32.477 227 HB3 GLU 35 HB3 GLU 35 16.246 -24.407 -33.134 228 HG2 GLU 35 HG2 GLU 35 16.589 -27.393 -33.021 229 HG3 GLU 35 HG3 GLU 35 15.997 -26.506 -34.425 230 H MET 36 H MET 36 14.851 -25.468 -29.679 231 HA MET 36 HA MET 36 15.251 -22.893 -28.422 232 HB2 MET 36 HB2 MET 36 13.027 -23.435 -30.336 233 HB3 MET 36 HB3 MET 36 12.681 -22.464 -28.912 234 HG2 MET 36 HG2 MET 36 14.636 -21.015 -29.584 235 HG3 MET 36 HG3 MET 36 14.634 -21.887 -31.115 236 HE1 MET 36 HE1 MET 36 13.115 -19.662 -28.698 237 HE2 MET 36 HE2 MET 36 12.193 -18.509 -29.661 238 HE3 MET 36 HE3 MET 36 11.401 -19.943 -29.008 239 H MET 37 H MET 37 15.153 -23.450 -26.348 240 HA MET 37 HA MET 37 13.472 -25.634 -25.463 241 HB2 MET 37 HB2 MET 37 15.635 -23.977 -24.270 242 HB3 MET 37 HB3 MET 37 14.476 -24.708 -23.168 243 HG2 MET 37 HG2 MET 37 15.160 -26.837 -23.635 244 HG3 MET 37 HG3 MET 37 15.729 -26.417 -25.249 245 HE1 MET 37 HE1 MET 37 18.992 -25.548 -25.282 246 HE2 MET 37 HE2 MET 37 17.431 -24.833 -25.682 247 HE3 MET 37 HE3 MET 37 18.477 -24.058 -24.492 248 H VAL 38 H VAL 38 11.353 -25.061 -25.508 249 HA VAL 38 HA VAL 38 10.543 -22.544 -24.246 250 HB VAL 38 HB VAL 38 8.288 -23.065 -25.168 251 HG11 VAL 38 HG11 VAL 38 10.054 -23.241 -27.528 252 HG12 VAL 38 HG12 VAL 38 8.793 -22.071 -27.135 253 HG13 VAL 38 HG13 VAL 38 10.389 -21.930 -26.397 254 HG21 VAL 38 HG21 VAL 38 7.786 -25.083 -25.950 255 HG22 VAL 38 HG22 VAL 38 9.098 -24.991 -27.126 256 HG23 VAL 38 HG23 VAL 38 9.406 -25.627 -25.510 257 H GLY 39 H GLY 39 11.507 -24.442 -22.473 258 HA2 GLY 39 HA2 GLY 39 9.066 -25.524 -21.219 259 HA3 GLY 39 HA3 GLY 39 10.687 -26.151 -20.959 260 H ASN 40 H ASN 40 9.509 -22.804 -20.895 261 HA ASN 40 HA ASN 40 10.238 -22.690 -18.044 262 HB2 ASN 40 HB2 ASN 40 10.838 -20.209 -18.660 263 HB3 ASN 40 HB3 ASN 40 12.005 -21.497 -18.944 264 HD21 ASN 40 HD21 ASN 40 12.992 -21.315 -20.807 265 HD22 ASN 40 HD22 ASN 40 12.313 -20.702 -22.273 266 H CYS 41 H CYS 41 9.225 -20.850 -16.887 267 HA CYS 41 HA CYS 41 6.582 -20.203 -18.018 268 HB2 CYS 41 HB2 CYS 41 7.173 -20.569 -15.080 269 HB3 CYS 41 HB3 CYS 41 5.597 -20.408 -15.846 270 H MET 42 H MET 42 5.991 -18.115 -18.031 271 HA MET 42 HA MET 42 7.672 -16.205 -16.545 272 HB2 MET 42 HB2 MET 42 6.624 -16.085 -19.358 273 HB3 MET 42 HB3 MET 42 7.016 -14.612 -18.482 274 HG2 MET 42 HG2 MET 42 9.249 -14.987 -18.562 275 HG3 MET 42 HG3 MET 42 9.068 -16.740 -18.523 276 HE1 MET 42 HE1 MET 42 11.307 -15.812 -20.917 277 HE2 MET 42 HE2 MET 42 10.767 -17.179 -19.944 278 HE3 MET 42 HE3 MET 42 10.638 -17.244 -21.702 279 H CYS 43 H CYS 43 6.560 -14.051 -16.243 280 HA CYS 43 HA CYS 43 4.080 -14.474 -14.919 281 HB2 CYS 43 HB2 CYS 43 5.626 -11.964 -15.577 282 HB3 CYS 43 HB3 CYS 43 4.135 -11.961 -14.640 283 H GLY 44 H GLY 44 2.020 -13.733 -15.426 284 HA2 GLY 44 HA2 GLY 44 1.569 -12.431 -17.990 285 HA3 GLY 44 HA3 GLY 44 0.941 -14.066 -17.843 286 HA PRO 45 HA PRO 45 -2.017 -10.769 -16.103 287 HB2 PRO 45 HB2 PRO 45 -3.835 -10.775 -18.118 288 HB3 PRO 45 HB3 PRO 45 -2.453 -9.674 -18.075 289 HG2 PRO 45 HG2 PRO 45 -2.784 -12.242 -19.579 290 HG3 PRO 45 HG3 PRO 45 -2.085 -10.707 -20.127 291 HD2 PRO 45 HD2 PRO 45 -0.561 -12.806 -19.348 292 HD3 PRO 45 HD3 PRO 45 -0.060 -11.120 -19.106 293 H LYS 46 H LYS 46 -3.678 -11.435 -14.858 294 HA LYS 46 HA LYS 46 -4.523 -14.213 -15.096 295 HB2 LYS 46 HB2 LYS 46 -3.818 -13.439 -12.898 296 HB3 LYS 46 HB3 LYS 46 -5.013 -12.149 -12.941 297 HG2 LYS 46 HG2 LYS 46 -6.810 -13.780 -12.904 298 HG3 LYS 46 HG3 LYS 46 -5.634 -15.096 -12.927 299 HD2 LYS 46 HD2 LYS 46 -5.319 -14.959 -10.723 300 HD3 LYS 46 HD3 LYS 46 -5.084 -13.211 -10.800 301 HE2 LYS 46 HE2 LYS 46 -6.980 -13.252 -9.545 302 HE3 LYS 46 HE3 LYS 46 -7.719 -13.266 -11.145 303 HZ1 LYS 46 HZ1 LYS 46 -7.694 -15.309 -9.116 304 HZ2 LYS 46 HZ2 LYS 46 -7.311 -15.888 -10.658 305 HZ3 LYS 46 HZ3 LYS 46 -8.771 -15.073 -10.400 306 H ALA 47 H ALA 47 -6.650 -14.877 -15.321 307 HA ALA 47 HA ALA 47 -8.338 -13.151 -16.842 308 HB1 ALA 47 HB1 ALA 47 -8.721 -15.256 -17.556 309 HB2 ALA 47 HB2 ALA 47 -8.378 -15.970 -15.980 310 HB3 ALA 47 HB3 ALA 47 -9.950 -15.233 -16.291 Start of MODEL 4 1 H1 SER 1 H SER 1 1.179 1.730 -4.171 2 HA SER 1 HA SER 1 0.114 -0.393 -5.907 3 HB2 SER 1 HB2 SER 1 0.943 1.771 -6.948 4 HB3 SER 1 HB3 SER 1 2.562 1.299 -6.435 5 HG SER 1 HG SER 1 2.510 -0.408 -7.803 6 H LYS 2 H LYS 2 0.994 -2.368 -5.888 7 HA LYS 2 HA LYS 2 2.974 -2.996 -3.900 8 HB2 LYS 2 HB2 LYS 2 0.991 -4.449 -4.498 9 HB3 LYS 2 HB3 LYS 2 1.828 -4.846 -5.993 10 HG2 LYS 2 HG2 LYS 2 3.566 -5.951 -4.841 11 HG3 LYS 2 HG3 LYS 2 3.043 -5.303 -3.285 12 HD2 LYS 2 HD2 LYS 2 0.830 -6.562 -3.790 13 HD3 LYS 2 HD3 LYS 2 1.808 -7.466 -4.949 14 HE2 LYS 2 HE2 LYS 2 3.395 -7.980 -3.090 15 HE3 LYS 2 HE3 LYS 2 2.255 -7.225 -1.977 16 HZ1 LYS 2 HZ1 LYS 2 0.988 -9.035 -1.967 17 HZ2 LYS 2 HZ2 LYS 2 2.264 -9.842 -2.729 18 HZ3 LYS 2 HZ3 LYS 2 1.012 -9.181 -3.653 19 H GLU 3 H GLU 3 5.043 -3.797 -4.224 20 HA GLU 3 HA GLU 3 6.326 -2.901 -6.655 21 HB2 GLU 3 HB2 GLU 3 7.588 -4.323 -4.310 22 HB3 GLU 3 HB3 GLU 3 8.403 -3.362 -5.537 23 HG2 GLU 3 HG2 GLU 3 7.409 -1.349 -4.710 24 HG3 GLU 3 HG3 GLU 3 6.391 -2.256 -3.593 25 H CYS 4 H CYS 4 5.202 -4.448 -8.046 26 HA CYS 4 HA CYS 4 6.498 -7.095 -7.995 27 HB2 CYS 4 HB2 CYS 4 4.480 -8.005 -9.074 28 HB3 CYS 4 HB3 CYS 4 4.114 -7.301 -7.503 29 H MET 5 H MET 5 5.899 -8.073 -10.411 30 HA MET 5 HA MET 5 7.000 -6.091 -12.292 31 HB2 MET 5 HB2 MET 5 7.467 -9.072 -12.380 32 HB3 MET 5 HB3 MET 5 8.239 -7.847 -13.376 33 HG2 MET 5 HG2 MET 5 9.344 -6.933 -11.403 34 HG3 MET 5 HG3 MET 5 8.567 -8.157 -10.401 35 HE1 MET 5 HE1 MET 5 8.925 -10.908 -12.338 36 HE2 MET 5 HE2 MET 5 10.256 -11.422 -11.302 37 HE3 MET 5 HE3 MET 5 8.863 -10.595 -10.604 38 H THR 6 H THR 6 6.519 -6.582 -14.602 39 HA THR 6 HA THR 6 3.712 -7.365 -14.848 40 HB THR 6 HB THR 6 3.948 -6.370 -17.173 41 HG1 THR 6 HG1 THR 6 5.779 -5.224 -17.626 42 HG21 THR 6 HG21 THR 6 3.869 -4.046 -16.354 43 HG22 THR 6 HG22 THR 6 4.484 -4.588 -14.792 44 HG23 THR 6 HG23 THR 6 2.904 -5.132 -15.354 45 H ASP 7 H ASP 7 3.262 -8.285 -17.198 46 HA ASP 7 HA ASP 7 4.368 -10.891 -17.238 47 HB2 ASP 7 HB2 ASP 7 3.012 -11.257 -19.205 48 HB3 ASP 7 HB3 ASP 7 2.081 -10.315 -18.043 49 H GLY 8 H GLY 8 5.671 -11.896 -18.826 50 HA2 GLY 8 HA2 GLY 8 7.030 -11.786 -20.814 51 HA3 GLY 8 HA3 GLY 8 7.218 -10.061 -20.535 52 H THR 9 H THR 9 7.606 -10.805 -17.577 53 HA THR 9 HA THR 9 10.492 -11.218 -17.821 54 HB THR 9 HB THR 9 8.844 -10.314 -15.450 55 HG1 THR 9 HG1 THR 9 10.075 -8.316 -15.956 56 HG21 THR 9 HG21 THR 9 11.844 -10.445 -15.791 57 HG22 THR 9 HG22 THR 9 10.878 -11.502 -14.761 58 HG23 THR 9 HG23 THR 9 10.987 -9.779 -14.401 59 H VAL 10 H VAL 10 11.379 -13.124 -17.400 60 HA VAL 10 HA VAL 10 10.012 -15.429 -16.741 61 HB VAL 10 HB VAL 10 12.915 -14.853 -16.138 62 HG11 VAL 10 HG11 VAL 10 11.248 -17.303 -16.064 63 HG12 VAL 10 HG12 VAL 10 12.882 -17.451 -16.713 64 HG13 VAL 10 HG13 VAL 10 12.634 -16.844 -15.075 65 HG21 VAL 10 HG21 VAL 10 12.414 -14.395 -18.461 66 HG22 VAL 10 HG22 VAL 10 13.344 -15.888 -18.335 67 HG23 VAL 10 HG23 VAL 10 11.605 -15.954 -18.623 68 H CYS 11 H CYS 11 9.632 -16.582 -14.874 69 HA CYS 11 HA CYS 11 10.427 -15.410 -12.319 70 HB2 CYS 11 HB2 CYS 11 8.148 -15.541 -11.429 71 HB3 CYS 11 HB3 CYS 11 8.221 -14.448 -12.807 72 H TYR 12 H TYR 12 10.109 -16.877 -10.499 73 HA TYR 12 HA TYR 12 9.827 -19.697 -11.271 74 HB2 TYR 12 HB2 TYR 12 12.179 -18.362 -10.051 75 HB3 TYR 12 HB3 TYR 12 11.737 -19.933 -9.393 76 HD1 TYR 12 HD2 TYR 12 12.482 -18.210 -12.610 77 HD2 TYR 12 HD1 TYR 12 12.439 -21.883 -10.462 78 HE1 TYR 12 HE2 TYR 12 13.638 -19.312 -14.481 79 HE2 TYR 12 HE1 TYR 12 13.597 -22.993 -12.325 80 HH TYR 12 HH TYR 12 15.153 -21.370 -14.751 81 H ILE 13 H ILE 13 8.468 -20.764 -9.997 82 HA ILE 13 HA ILE 13 7.098 -19.542 -7.873 83 HB ILE 13 HB ILE 13 7.333 -22.511 -8.360 84 HG12 ILE 13 HG12 ILE 13 6.683 -21.413 -10.431 85 HG13 ILE 13 HG13 ILE 13 5.293 -22.246 -9.743 86 HG21 ILE 13 HG21 ILE 13 4.758 -21.707 -7.503 87 HG22 ILE 13 HG22 ILE 13 5.932 -22.709 -6.653 88 HG23 ILE 13 HG23 ILE 13 5.939 -20.961 -6.426 89 HD11 ILE 13 HD11 ILE 13 5.857 -19.294 -9.651 90 HD12 ILE 13 HD12 ILE 13 4.602 -20.114 -10.580 91 HD13 ILE 13 HD13 ILE 13 4.520 -20.088 -8.818 92 H HIS 14 H HIS 14 10.089 -21.242 -7.975 93 HA HIS 14 HA HIS 14 10.137 -21.407 -5.035 94 HB2 HIS 14 HB2 HIS 14 10.559 -23.467 -6.641 95 HB3 HIS 14 HB3 HIS 14 12.180 -22.783 -6.727 96 HD1 HIS 14 HD1 HIS 14 13.622 -24.090 -5.212 97 HD2 HIS 14 HD2 HIS 14 9.875 -23.401 -3.555 98 HE1 HIS 14 HE1 HIS 14 13.714 -25.086 -2.905 99 H ASN 15 H ASN 15 10.588 -18.972 -6.506 100 HA ASN 15 HA ASN 15 13.379 -18.471 -5.715 101 HB2 ASN 15 HB2 ASN 15 13.093 -18.559 -8.212 102 HB3 ASN 15 HB3 ASN 15 12.009 -17.175 -8.079 103 HD21 ASN 15 HD21 ASN 15 15.124 -18.026 -6.607 104 HD22 ASN 15 HD22 ASN 15 15.929 -16.567 -7.064 105 H HIS 16 H HIS 16 10.590 -18.035 -4.537 106 HA HIS 16 HA HIS 16 9.459 -16.453 -3.348 107 HB2 HIS 16 HB2 HIS 16 11.818 -16.499 -2.300 108 HB3 HIS 16 HB3 HIS 16 12.064 -14.963 -3.124 109 HD1 HIS 16 HD1 HIS 16 12.076 -13.411 -1.151 110 HD2 HIS 16 HD2 HIS 16 8.765 -15.921 -1.192 111 HE1 HIS 16 HE1 HIS 16 10.574 -12.573 0.683 112 H ASN 17 H ASN 17 9.664 -16.070 -6.240 113 HA ASN 17 HA ASN 17 9.843 -13.198 -6.611 114 HB2 ASN 17 HB2 ASN 17 9.470 -15.557 -8.414 115 HB3 ASN 17 HB3 ASN 17 9.002 -13.960 -8.990 116 HD21 ASN 17 HD21 ASN 17 10.888 -15.149 -10.383 117 HD22 ASN 17 HD22 ASN 17 12.447 -14.476 -10.066 118 H ASP 18 H ASP 18 8.192 -11.841 -6.439 119 HA ASP 18 HA ASP 18 5.468 -12.956 -6.382 120 HB2 ASP 18 HB2 ASP 18 6.526 -11.665 -4.366 121 HB3 ASP 18 HB3 ASP 18 6.150 -10.235 -5.324 122 H CYS 19 H CYS 19 4.538 -12.736 -8.314 123 HA CYS 19 HA CYS 19 4.900 -10.194 -9.757 124 HB2 CYS 19 HB2 CYS 19 4.758 -13.008 -10.650 125 HB3 CYS 19 HB3 CYS 19 3.876 -11.851 -11.643 126 H CYS 20 H CYS 20 3.168 -8.957 -10.159 127 HA CYS 20 HA CYS 20 0.764 -9.263 -8.835 128 HB2 CYS 20 HB2 CYS 20 1.689 -7.601 -11.125 129 HB3 CYS 20 HB3 CYS 20 -0.046 -7.697 -10.843 130 H GLY 21 H GLY 21 1.781 -10.594 -11.883 131 HA2 GLY 21 HA2 GLY 21 -0.948 -11.553 -12.420 132 HA3 GLY 21 HA3 GLY 21 0.367 -11.513 -13.584 133 H SER 22 H SER 22 -0.925 -13.787 -13.561 134 HA SER 22 HA SER 22 0.403 -15.625 -11.713 135 HB2 SER 22 HB2 SER 22 -2.081 -15.685 -13.316 136 HB3 SER 22 HB3 SER 22 -1.220 -17.220 -13.195 137 HG SER 22 HG SER 22 -2.043 -17.378 -11.280 138 H CYS 23 H CYS 23 1.881 -17.113 -12.327 139 HA CYS 23 HA CYS 23 3.251 -16.741 -14.789 140 HB2 CYS 23 HB2 CYS 23 3.494 -18.725 -12.542 141 HB3 CYS 23 HB3 CYS 23 4.458 -18.891 -14.007 142 H LEU 24 H LEU 24 2.930 -17.660 -16.707 143 HA LEU 24 HA LEU 24 1.141 -19.997 -16.845 144 HB2 LEU 24 HB2 LEU 24 1.559 -17.718 -18.763 145 HB3 LEU 24 HB3 LEU 24 0.720 -19.203 -19.210 146 HG LEU 24 HG LEU 24 -0.147 -17.247 -17.079 147 HD11 LEU 24 HD11 LEU 24 -2.136 -17.197 -18.808 148 HD12 LEU 24 HD12 LEU 24 -0.859 -17.643 -19.937 149 HD13 LEU 24 HD13 LEU 24 -0.725 -16.156 -18.999 150 HD21 LEU 24 HD21 LEU 24 -1.442 -18.855 -16.277 151 HD22 LEU 24 HD22 LEU 24 -0.767 -19.996 -17.440 152 HD23 LEU 24 HD23 LEU 24 -2.193 -19.046 -17.861 153 H CYS 25 H CYS 25 2.171 -21.813 -17.313 154 HA CYS 25 HA CYS 25 4.769 -21.753 -18.600 155 HB2 CYS 25 HB2 CYS 25 3.175 -24.149 -17.671 156 HB3 CYS 25 HB3 CYS 25 4.890 -24.110 -18.070 157 H SER 26 H SER 26 5.154 -22.160 -20.680 158 HA SER 26 HA SER 26 2.941 -22.604 -22.468 159 HB2 SER 26 HB2 SER 26 4.351 -21.920 -24.151 160 HB3 SER 26 HB3 SER 26 5.180 -21.190 -22.776 161 HG SER 26 HG SER 26 6.122 -22.977 -24.488 162 H ASN 27 H ASN 27 2.225 -24.504 -23.150 163 HA ASN 27 HA ASN 27 3.940 -26.864 -22.782 164 HB2 ASN 27 HB2 ASN 27 1.897 -28.184 -22.716 165 HB3 ASN 27 HB3 ASN 27 1.789 -26.869 -21.549 166 HD21 ASN 27 HD21 ASN 27 -0.497 -28.000 -22.195 167 HD22 ASN 27 HD22 ASN 27 -1.430 -27.008 -23.256 168 H GLY 28 H GLY 28 4.021 -25.001 -25.071 169 HA2 GLY 28 HA2 GLY 28 2.735 -25.991 -27.337 170 HA3 GLY 28 HA3 GLY 28 4.268 -25.132 -27.348 171 HA PRO 29 HA PRO 29 4.855 -29.547 -28.805 172 HB2 PRO 29 HB2 PRO 29 5.937 -28.904 -31.211 173 HB3 PRO 29 HB3 PRO 29 4.197 -29.092 -30.959 174 HG2 PRO 29 HG2 PRO 29 5.835 -26.589 -31.071 175 HG3 PRO 29 HG3 PRO 29 4.254 -26.923 -31.799 176 HD2 PRO 29 HD2 PRO 29 4.532 -25.520 -29.500 177 HD3 PRO 29 HD3 PRO 29 3.126 -26.555 -29.823 178 H ILE 30 H ILE 30 6.668 -30.510 -28.152 179 HA ILE 30 HA ILE 30 9.192 -28.990 -28.275 180 HB ILE 30 HB ILE 30 8.466 -31.053 -26.193 181 HG12 ILE 30 HG12 ILE 30 8.586 -28.039 -25.944 182 HG13 ILE 30 HG13 ILE 30 7.111 -28.999 -25.967 183 HG21 ILE 30 HG21 ILE 30 10.581 -30.957 -25.492 184 HG22 ILE 30 HG22 ILE 30 10.945 -30.171 -27.028 185 HG23 ILE 30 HG23 ILE 30 10.617 -29.197 -25.595 186 HD11 ILE 30 HD11 ILE 30 9.206 -28.819 -23.843 187 HD12 ILE 30 HD12 ILE 30 7.464 -28.574 -23.719 188 HD13 ILE 30 HD13 ILE 30 8.113 -30.200 -23.933 189 H ALA 31 H ALA 31 10.340 -29.822 -29.898 190 HA ALA 31 HA ALA 31 10.485 -32.757 -30.139 191 HB1 ALA 31 HB1 ALA 31 10.838 -32.525 -32.489 192 HB2 ALA 31 HB2 ALA 31 9.418 -31.572 -32.061 193 HB3 ALA 31 HB3 ALA 31 10.962 -30.771 -32.352 194 H ARG 32 H ARG 32 12.264 -29.747 -30.036 195 HA ARG 32 HA ARG 32 14.720 -31.270 -29.566 196 HB2 ARG 32 HB2 ARG 32 14.461 -28.971 -31.513 197 HB3 ARG 32 HB3 ARG 32 15.991 -29.648 -30.973 198 HG2 ARG 32 HG2 ARG 32 15.749 -31.549 -32.209 199 HG3 ARG 32 HG3 ARG 32 13.986 -31.488 -32.159 200 HD2 ARG 32 HD2 ARG 32 14.303 -30.870 -34.327 201 HD3 ARG 32 HD3 ARG 32 14.400 -29.281 -33.568 202 HE ARG 32 HE ARG 32 16.607 -29.176 -34.159 203 HH11 ARG 32 HH11 ARG 32 15.521 -32.474 -34.407 204 HH12 ARG 32 HH12 ARG 32 16.981 -33.036 -35.151 205 HH21 ARG 32 HH21 ARG 32 18.534 -29.904 -35.138 206 HH22 ARG 32 HH22 ARG 32 18.695 -31.573 -35.566 207 HA PRO 33 HA PRO 33 13.989 -27.909 -26.445 208 HB2 PRO 33 HB2 PRO 33 14.513 -29.477 -24.291 209 HB3 PRO 33 HB3 PRO 33 12.911 -29.361 -25.028 210 HG2 PRO 33 HG2 PRO 33 15.009 -31.467 -25.378 211 HG3 PRO 33 HG3 PRO 33 13.257 -31.656 -25.170 212 HD2 PRO 33 HD2 PRO 33 14.465 -31.817 -27.589 213 HD3 PRO 33 HD3 PRO 33 12.818 -31.183 -27.383 214 H TRP 34 H TRP 34 16.542 -30.012 -27.337 215 HA TRP 34 HA TRP 34 18.516 -28.987 -25.530 216 HB2 TRP 34 HB2 TRP 34 18.582 -30.747 -27.960 217 HB3 TRP 34 HB3 TRP 34 20.081 -30.106 -27.295 218 HD1 TRP 34 HD1 TRP 34 17.063 -32.253 -26.153 219 HE1 TRP 34 HE1 TRP 34 17.894 -33.892 -24.351 220 HE3 TRP 34 HE3 TRP 34 21.890 -30.621 -25.734 221 HZ2 TRP 34 HZ2 TRP 34 20.280 -34.423 -22.937 222 HZ3 TRP 34 HZ3 TRP 34 23.381 -31.747 -24.133 223 HH2 TRP 34 HH2 TRP 34 22.591 -33.608 -22.764 224 H GLU 35 H GLU 35 17.410 -28.199 -28.758 225 HA GLU 35 HA GLU 35 19.589 -26.382 -29.280 226 HB2 GLU 35 HB2 GLU 35 16.988 -26.852 -30.747 227 HB3 GLU 35 HB3 GLU 35 18.278 -25.799 -31.312 228 HG2 GLU 35 HG2 GLU 35 18.938 -28.625 -30.679 229 HG3 GLU 35 HG3 GLU 35 18.045 -28.278 -32.159 230 H MET 36 H MET 36 16.409 -26.228 -27.908 231 HA MET 36 HA MET 36 16.847 -23.546 -27.007 232 HB2 MET 36 HB2 MET 36 14.764 -22.629 -28.069 233 HB3 MET 36 HB3 MET 36 16.086 -22.931 -29.189 234 HG2 MET 36 HG2 MET 36 14.982 -25.135 -29.709 235 HG3 MET 36 HG3 MET 36 13.592 -24.555 -28.795 236 HE1 MET 36 HE1 MET 36 15.867 -24.417 -31.568 237 HE2 MET 36 HE2 MET 36 14.751 -24.174 -32.911 238 HE3 MET 36 HE3 MET 36 15.667 -22.810 -32.269 239 H MET 37 H MET 37 16.189 -23.684 -24.972 240 HA MET 37 HA MET 37 14.317 -25.642 -24.083 241 HB2 MET 37 HB2 MET 37 16.135 -24.923 -22.638 242 HB3 MET 37 HB3 MET 37 15.533 -23.270 -22.656 243 HG2 MET 37 HG2 MET 37 13.630 -23.849 -21.383 244 HG3 MET 37 HG3 MET 37 13.928 -25.573 -21.594 245 HE1 MET 37 HE1 MET 37 17.165 -26.147 -19.671 246 HE2 MET 37 HE2 MET 37 15.605 -26.952 -19.503 247 HE3 MET 37 HE3 MET 37 16.206 -26.518 -21.103 248 H VAL 38 H VAL 38 12.345 -25.302 -25.074 249 HA VAL 38 HA VAL 38 11.025 -22.720 -24.630 250 HB VAL 38 HB VAL 38 9.319 -23.541 -26.231 251 HG11 VAL 38 HG11 VAL 38 10.956 -22.178 -27.195 252 HG12 VAL 38 HG12 VAL 38 12.202 -23.418 -27.054 253 HG13 VAL 38 HG13 VAL 38 10.908 -23.598 -28.238 254 HG21 VAL 38 HG21 VAL 38 9.660 -25.564 -27.482 255 HG22 VAL 38 HG22 VAL 38 11.192 -25.867 -26.661 256 HG23 VAL 38 HG23 VAL 38 9.677 -25.959 -25.763 257 H GLY 39 H GLY 39 11.340 -24.312 -22.366 258 HA2 GLY 39 HA2 GLY 39 8.533 -25.058 -21.840 259 HA3 GLY 39 HA3 GLY 39 9.854 -26.081 -21.296 260 H ASN 40 H ASN 40 9.860 -22.561 -21.260 261 HA ASN 40 HA ASN 40 10.195 -22.666 -18.350 262 HB2 ASN 40 HB2 ASN 40 10.901 -20.605 -20.432 263 HB3 ASN 40 HB3 ASN 40 10.900 -20.219 -18.713 264 HD21 ASN 40 HD21 ASN 40 13.202 -19.848 -19.850 265 HD22 ASN 40 HD22 ASN 40 14.328 -21.113 -19.508 266 H CYS 41 H CYS 41 9.219 -20.861 -17.087 267 HA CYS 41 HA CYS 41 6.560 -20.158 -18.148 268 HB2 CYS 41 HB2 CYS 41 7.208 -20.630 -15.237 269 HB3 CYS 41 HB3 CYS 41 5.617 -20.435 -15.965 270 H MET 42 H MET 42 5.991 -18.068 -18.101 271 HA MET 42 HA MET 42 7.689 -16.216 -16.561 272 HB2 MET 42 HB2 MET 42 6.616 -15.978 -19.361 273 HB3 MET 42 HB3 MET 42 7.071 -14.554 -18.434 274 HG2 MET 42 HG2 MET 42 9.290 -15.006 -18.556 275 HG3 MET 42 HG3 MET 42 9.045 -16.751 -18.601 276 HE1 MET 42 HE1 MET 42 7.821 -17.612 -21.838 277 HE2 MET 42 HE2 MET 42 9.546 -17.915 -21.627 278 HE3 MET 42 HE3 MET 42 8.449 -18.060 -20.252 279 H CYS 43 H CYS 43 6.567 -14.029 -16.276 280 HA CYS 43 HA CYS 43 4.102 -14.483 -14.920 281 HB2 CYS 43 HB2 CYS 43 5.658 -11.972 -15.542 282 HB3 CYS 43 HB3 CYS 43 4.160 -11.965 -14.619 283 H GLY 44 H GLY 44 2.038 -13.731 -15.403 284 HA2 GLY 44 HA2 GLY 44 1.560 -12.362 -17.920 285 HA3 GLY 44 HA3 GLY 44 0.973 -14.017 -17.847 286 HA PRO 45 HA PRO 45 -2.068 -10.872 -15.969 287 HB2 PRO 45 HB2 PRO 45 -3.877 -10.820 -17.992 288 HB3 PRO 45 HB3 PRO 45 -2.519 -9.693 -17.889 289 HG2 PRO 45 HG2 PRO 45 -2.785 -12.190 -19.517 290 HG3 PRO 45 HG3 PRO 45 -2.120 -10.616 -19.985 291 HD2 PRO 45 HD2 PRO 45 -0.552 -12.714 -19.301 292 HD3 PRO 45 HD3 PRO 45 -0.090 -11.032 -18.975 293 H LYS 46 H LYS 46 -3.749 -11.615 -14.789 294 HA LYS 46 HA LYS 46 -4.320 -14.384 -14.731 295 HB2 LYS 46 HB2 LYS 46 -4.521 -12.578 -12.863 296 HB3 LYS 46 HB3 LYS 46 -6.133 -12.323 -13.517 297 HG2 LYS 46 HG2 LYS 46 -6.390 -13.832 -11.736 298 HG3 LYS 46 HG3 LYS 46 -6.514 -14.802 -13.206 299 HD2 LYS 46 HD2 LYS 46 -3.952 -15.142 -12.865 300 HD3 LYS 46 HD3 LYS 46 -4.299 -14.665 -11.201 301 HE2 LYS 46 HE2 LYS 46 -5.934 -16.785 -12.537 302 HE3 LYS 46 HE3 LYS 46 -4.354 -17.179 -11.860 303 HZ1 LYS 46 HZ1 LYS 46 -5.067 -16.506 -9.715 304 HZ2 LYS 46 HZ2 LYS 46 -6.265 -17.531 -10.327 305 HZ3 LYS 46 HZ3 LYS 46 -6.511 -15.857 -10.312 306 H ALA 47 H ALA 47 -5.159 -15.170 -16.615 307 HA ALA 47 HA ALA 47 -7.126 -13.942 -18.190 308 HB1 ALA 47 HB1 ALA 47 -5.796 -15.681 -19.132 309 HB2 ALA 47 HB2 ALA 47 -6.344 -16.838 -17.918 310 HB3 ALA 47 HB3 ALA 47 -7.470 -16.234 -19.134 Start of MODEL 5 1 H1 SER 1 H SER 1 1.243 -2.652 0.168 2 HA SER 1 HA SER 1 0.908 -4.947 -1.622 3 HB2 SER 1 HB2 SER 1 1.055 -3.290 -3.573 4 HB3 SER 1 HB3 SER 1 -0.481 -3.367 -2.710 5 HG SER 1 HG SER 1 0.574 -1.563 -1.409 6 H LYS 2 H LYS 2 2.625 -4.577 -3.531 7 HA LYS 2 HA LYS 2 5.114 -3.468 -2.501 8 HB2 LYS 2 HB2 LYS 2 6.364 -5.534 -2.850 9 HB3 LYS 2 HB3 LYS 2 5.091 -5.775 -1.660 10 HG2 LYS 2 HG2 LYS 2 4.478 -6.420 -4.490 11 HG3 LYS 2 HG3 LYS 2 5.548 -7.507 -3.602 12 HD2 LYS 2 HD2 LYS 2 3.020 -6.644 -2.292 13 HD3 LYS 2 HD3 LYS 2 2.920 -7.829 -3.598 14 HE2 LYS 2 HE2 LYS 2 3.191 -9.241 -1.829 15 HE3 LYS 2 HE3 LYS 2 4.884 -8.959 -2.235 16 HZ1 LYS 2 HZ1 LYS 2 5.237 -7.956 -0.298 17 HZ2 LYS 2 HZ2 LYS 2 3.744 -8.572 0.203 18 HZ3 LYS 2 HZ3 LYS 2 3.844 -7.003 -0.421 19 H GLU 3 H GLU 3 6.911 -3.820 -4.205 20 HA GLU 3 HA GLU 3 5.831 -2.914 -6.738 21 HB2 GLU 3 HB2 GLU 3 7.719 -1.705 -5.833 22 HB3 GLU 3 HB3 GLU 3 8.665 -3.183 -5.727 23 HG2 GLU 3 HG2 GLU 3 8.784 -3.357 -8.109 24 HG3 GLU 3 HG3 GLU 3 7.660 -2.014 -8.309 25 H CYS 4 H CYS 4 4.874 -4.817 -7.537 26 HA CYS 4 HA CYS 4 6.475 -7.186 -7.936 27 HB2 CYS 4 HB2 CYS 4 4.463 -8.082 -9.042 28 HB3 CYS 4 HB3 CYS 4 4.092 -7.410 -7.457 29 H MET 5 H MET 5 5.914 -8.136 -10.361 30 HA MET 5 HA MET 5 6.988 -6.113 -12.217 31 HB2 MET 5 HB2 MET 5 7.523 -9.078 -12.372 32 HB3 MET 5 HB3 MET 5 8.309 -7.797 -13.283 33 HG2 MET 5 HG2 MET 5 9.366 -6.970 -11.272 34 HG3 MET 5 HG3 MET 5 8.520 -8.176 -10.306 35 HE1 MET 5 HE1 MET 5 10.133 -11.451 -11.019 36 HE2 MET 5 HE2 MET 5 8.643 -10.582 -10.651 37 HE3 MET 5 HE3 MET 5 9.032 -10.998 -12.321 38 H THR 6 H THR 6 6.537 -6.599 -14.533 39 HA THR 6 HA THR 6 3.748 -7.431 -14.809 40 HB THR 6 HB THR 6 4.072 -6.472 -17.174 41 HG1 THR 6 HG1 THR 6 6.250 -6.255 -17.354 42 HG21 THR 6 HG21 THR 6 2.922 -4.802 -16.251 43 HG22 THR 6 HG22 THR 6 4.430 -4.096 -15.667 44 HG23 THR 6 HG23 THR 6 3.541 -5.239 -14.659 45 H ASP 7 H ASP 7 3.336 -8.371 -17.159 46 HA ASP 7 HA ASP 7 4.485 -10.960 -17.172 47 HB2 ASP 7 HB2 ASP 7 3.165 -11.335 -19.188 48 HB3 ASP 7 HB3 ASP 7 2.199 -10.495 -17.978 49 H GLY 8 H GLY 8 5.810 -11.952 -18.752 50 HA2 GLY 8 HA2 GLY 8 7.168 -11.828 -20.740 51 HA3 GLY 8 HA3 GLY 8 7.326 -10.099 -20.469 52 H THR 9 H THR 9 7.723 -10.823 -17.506 53 HA THR 9 HA THR 9 10.616 -11.163 -17.739 54 HB THR 9 HB THR 9 8.933 -10.340 -15.366 55 HG1 THR 9 HG1 THR 9 8.996 -8.676 -16.838 56 HG21 THR 9 HG21 THR 9 11.936 -10.380 -15.693 57 HG22 THR 9 HG22 THR 9 10.997 -11.477 -14.681 58 HG23 THR 9 HG23 THR 9 11.054 -9.756 -14.300 59 H VAL 10 H VAL 10 11.580 -13.029 -17.296 60 HA VAL 10 HA VAL 10 10.290 -15.395 -16.706 61 HB VAL 10 HB VAL 10 13.153 -14.684 -16.050 62 HG11 VAL 10 HG11 VAL 10 13.104 -17.349 -16.641 63 HG12 VAL 10 HG12 VAL 10 13.122 -16.671 -15.011 64 HG13 VAL 10 HG13 VAL 10 11.594 -17.143 -15.756 65 HG21 VAL 10 HG21 VAL 10 13.695 -15.661 -18.205 66 HG22 VAL 10 HG22 VAL 10 11.991 -16.004 -18.504 67 HG23 VAL 10 HG23 VAL 10 12.552 -14.334 -18.411 68 H CYS 11 H CYS 11 9.615 -16.410 -14.908 69 HA CYS 11 HA CYS 11 10.392 -15.316 -12.295 70 HB2 CYS 11 HB2 CYS 11 8.108 -15.421 -11.494 71 HB3 CYS 11 HB3 CYS 11 8.168 -14.412 -12.935 72 H TYR 12 H TYR 12 10.172 -16.798 -10.526 73 HA TYR 12 HA TYR 12 9.893 -19.617 -11.311 74 HB2 TYR 12 HB2 TYR 12 12.227 -18.261 -10.092 75 HB3 TYR 12 HB3 TYR 12 11.793 -19.823 -9.405 76 HD1 TYR 12 HD2 TYR 12 12.863 -18.094 -12.483 77 HD2 TYR 12 HD1 TYR 12 12.180 -21.850 -10.604 78 HE1 TYR 12 HE2 TYR 12 14.032 -19.224 -14.329 79 HE2 TYR 12 HE1 TYR 12 13.348 -22.990 -12.444 80 HH TYR 12 HH TYR 12 15.359 -21.647 -14.458 81 H ILE 13 H ILE 13 8.548 -20.715 -10.048 82 HA ILE 13 HA ILE 13 7.151 -19.516 -7.923 83 HB ILE 13 HB ILE 13 7.403 -22.480 -8.433 84 HG12 ILE 13 HG12 ILE 13 6.772 -21.371 -10.504 85 HG13 ILE 13 HG13 ILE 13 5.379 -22.214 -9.838 86 HG21 ILE 13 HG21 ILE 13 6.003 -20.967 -6.488 87 HG22 ILE 13 HG22 ILE 13 4.816 -21.656 -7.595 88 HG23 ILE 13 HG23 ILE 13 5.961 -22.708 -6.763 89 HD11 ILE 13 HD11 ILE 13 4.590 -20.139 -10.600 90 HD12 ILE 13 HD12 ILE 13 4.685 -19.999 -8.844 91 HD13 ILE 13 HD13 ILE 13 5.931 -19.267 -9.857 92 H HIS 14 H HIS 14 10.145 -21.220 -8.028 93 HA HIS 14 HA HIS 14 10.180 -21.413 -5.090 94 HB2 HIS 14 HB2 HIS 14 10.625 -23.449 -6.721 95 HB3 HIS 14 HB3 HIS 14 12.242 -22.753 -6.788 96 HD1 HIS 14 HD1 HIS 14 13.668 -24.109 -5.297 97 HD2 HIS 14 HD2 HIS 14 9.933 -23.392 -3.625 98 HE1 HIS 14 HE1 HIS 14 13.754 -25.126 -2.998 99 H ASN 15 H ASN 15 10.638 -18.967 -6.579 100 HA ASN 15 HA ASN 15 13.406 -18.446 -5.724 101 HB2 ASN 15 HB2 ASN 15 13.177 -18.553 -8.226 102 HB3 ASN 15 HB3 ASN 15 12.091 -17.171 -8.128 103 HD21 ASN 15 HD21 ASN 15 15.293 -18.175 -6.974 104 HD22 ASN 15 HD22 ASN 15 16.062 -16.656 -7.267 105 H HIS 16 H HIS 16 10.608 -18.023 -4.592 106 HA HIS 16 HA HIS 16 9.447 -16.442 -3.430 107 HB2 HIS 16 HB2 HIS 16 12.267 -15.393 -3.218 108 HB3 HIS 16 HB3 HIS 16 10.917 -14.654 -2.364 109 HD1 HIS 16 HD1 HIS 16 12.826 -17.911 -2.537 110 HD2 HIS 16 HD2 HIS 16 10.200 -15.895 -0.027 111 HE1 HIS 16 HE1 HIS 16 12.762 -19.255 -0.414 112 H ASN 17 H ASN 17 9.676 -16.100 -6.332 113 HA ASN 17 HA ASN 17 9.826 -13.243 -6.766 114 HB2 ASN 17 HB2 ASN 17 9.465 -15.651 -8.492 115 HB3 ASN 17 HB3 ASN 17 8.915 -14.096 -9.109 116 HD21 ASN 17 HD21 ASN 17 10.742 -12.351 -8.251 117 HD22 ASN 17 HD22 ASN 17 12.305 -12.729 -8.882 118 H ASP 18 H ASP 18 8.183 -11.889 -6.532 119 HA ASP 18 HA ASP 18 5.454 -12.990 -6.463 120 HB2 ASP 18 HB2 ASP 18 6.739 -10.657 -5.072 121 HB3 ASP 18 HB3 ASP 18 4.991 -10.720 -5.285 122 H CYS 19 H CYS 19 4.511 -12.750 -8.386 123 HA CYS 19 HA CYS 19 4.871 -10.195 -9.807 124 HB2 CYS 19 HB2 CYS 19 4.733 -12.999 -10.723 125 HB3 CYS 19 HB3 CYS 19 3.820 -11.847 -11.693 126 H CYS 20 H CYS 20 3.141 -8.950 -10.182 127 HA CYS 20 HA CYS 20 0.747 -9.253 -8.843 128 HB2 CYS 20 HB2 CYS 20 1.666 -7.583 -11.124 129 HB3 CYS 20 HB3 CYS 20 -0.071 -7.686 -10.856 130 H GLY 21 H GLY 21 1.725 -10.561 -11.920 131 HA2 GLY 21 HA2 GLY 21 -1.010 -11.515 -12.430 132 HA3 GLY 21 HA3 GLY 21 0.298 -11.479 -13.605 133 H SER 22 H SER 22 -1.004 -13.748 -13.578 134 HA SER 22 HA SER 22 0.326 -15.595 -11.741 135 HB2 SER 22 HB2 SER 22 -2.202 -15.584 -13.216 136 HB3 SER 22 HB3 SER 22 -1.342 -17.119 -13.334 137 HG SER 22 HG SER 22 -2.840 -16.462 -11.393 138 H CYS 23 H CYS 23 1.833 -17.040 -12.359 139 HA CYS 23 HA CYS 23 3.155 -16.687 -14.848 140 HB2 CYS 23 HB2 CYS 23 3.469 -18.622 -12.569 141 HB3 CYS 23 HB3 CYS 23 4.404 -18.811 -14.048 142 H LEU 24 H LEU 24 2.876 -17.683 -16.739 143 HA LEU 24 HA LEU 24 1.080 -20.016 -16.817 144 HB2 LEU 24 HB2 LEU 24 1.518 -17.801 -18.803 145 HB3 LEU 24 HB3 LEU 24 0.673 -19.294 -19.206 146 HG LEU 24 HG LEU 24 -0.195 -17.283 -17.130 147 HD11 LEU 24 HD11 LEU 24 -0.855 -17.695 -19.993 148 HD12 LEU 24 HD12 LEU 24 -0.753 -16.206 -19.055 149 HD13 LEU 24 HD13 LEU 24 -2.163 -17.252 -18.897 150 HD21 LEU 24 HD21 LEU 24 -2.234 -19.099 -17.945 151 HD22 LEU 24 HD22 LEU 24 -1.561 -18.840 -16.335 152 HD23 LEU 24 HD23 LEU 24 -0.827 -20.023 -17.419 153 H CYS 25 H CYS 25 2.128 -21.845 -17.196 154 HA CYS 25 HA CYS 25 4.712 -21.817 -18.523 155 HB2 CYS 25 HB2 CYS 25 3.209 -24.211 -17.459 156 HB3 CYS 25 HB3 CYS 25 4.930 -24.095 -17.811 157 H SER 26 H SER 26 5.061 -22.352 -20.581 158 HA SER 26 HA SER 26 2.777 -23.205 -22.192 159 HB2 SER 26 HB2 SER 26 4.501 -21.245 -22.702 160 HB3 SER 26 HB3 SER 26 5.421 -22.568 -23.420 161 HG SER 26 HG SER 26 2.705 -22.333 -24.046 162 H ASN 27 H ASN 27 2.644 -25.132 -23.200 163 HA ASN 27 HA ASN 27 4.948 -26.954 -22.960 164 HB2 ASN 27 HB2 ASN 27 2.029 -27.433 -22.440 165 HB3 ASN 27 HB3 ASN 27 3.071 -28.765 -22.930 166 HD21 ASN 27 HD21 ASN 27 1.748 -27.347 -20.347 167 HD22 ASN 27 HD22 ASN 27 2.918 -27.742 -19.137 168 H GLY 28 H GLY 28 4.066 -25.177 -25.175 169 HA2 GLY 28 HA2 GLY 28 2.779 -26.487 -27.242 170 HA3 GLY 28 HA3 GLY 28 4.045 -25.289 -27.469 171 HA PRO 29 HA PRO 29 5.350 -29.648 -28.846 172 HB2 PRO 29 HB2 PRO 29 5.253 -29.242 -31.529 173 HB3 PRO 29 HB3 PRO 29 3.880 -29.856 -30.599 174 HG2 PRO 29 HG2 PRO 29 4.425 -27.074 -31.558 175 HG3 PRO 29 HG3 PRO 29 2.904 -27.985 -31.575 176 HD2 PRO 29 HD2 PRO 29 3.460 -26.113 -29.700 177 HD3 PRO 29 HD3 PRO 29 2.470 -27.546 -29.355 178 H ILE 30 H ILE 30 7.490 -29.892 -28.857 179 HA ILE 30 HA ILE 30 9.156 -27.675 -29.829 180 HB ILE 30 HB ILE 30 10.044 -29.981 -28.100 181 HG12 ILE 30 HG12 ILE 30 10.014 -27.935 -26.378 182 HG13 ILE 30 HG13 ILE 30 8.691 -27.418 -27.418 183 HG21 ILE 30 HG21 ILE 30 11.281 -27.283 -28.634 184 HG22 ILE 30 HG22 ILE 30 11.939 -28.540 -27.588 185 HG23 ILE 30 HG23 ILE 30 11.813 -28.815 -29.325 186 HD11 ILE 30 HD11 ILE 30 8.147 -28.818 -25.345 187 HD12 ILE 30 HD12 ILE 30 7.388 -29.262 -26.875 188 HD13 ILE 30 HD13 ILE 30 8.768 -30.181 -26.275 189 H ALA 31 H ALA 31 9.756 -27.958 -31.878 190 HA ALA 31 HA ALA 31 10.053 -30.566 -33.051 191 HB1 ALA 31 HB1 ALA 31 11.111 -28.241 -34.514 192 HB2 ALA 31 HB2 ALA 31 9.999 -29.507 -35.038 193 HB3 ALA 31 HB3 ALA 31 9.405 -28.155 -34.075 194 H ARG 32 H ARG 32 12.166 -28.116 -31.730 195 HA ARG 32 HA ARG 32 14.428 -29.954 -32.080 196 HB2 ARG 32 HB2 ARG 32 14.507 -26.974 -32.591 197 HB3 ARG 32 HB3 ARG 32 15.906 -28.039 -32.583 198 HG2 ARG 32 HG2 ARG 32 13.576 -28.377 -34.455 199 HG3 ARG 32 HG3 ARG 32 15.022 -27.443 -34.846 200 HD2 ARG 32 HD2 ARG 32 16.394 -29.453 -34.467 201 HD3 ARG 32 HD3 ARG 32 14.927 -30.373 -34.136 202 HE ARG 32 HE ARG 32 14.525 -30.480 -36.389 203 HH11 ARG 32 HH11 ARG 32 16.940 -28.051 -35.767 204 HH12 ARG 32 HH12 ARG 32 17.314 -27.808 -37.442 205 HH21 ARG 32 HH21 ARG 32 15.009 -30.170 -38.596 206 HH22 ARG 32 HH22 ARG 32 16.215 -29.013 -39.050 207 HA PRO 33 HA PRO 33 13.959 -28.505 -27.692 208 HB2 PRO 33 HB2 PRO 33 14.248 -30.973 -26.601 209 HB3 PRO 33 HB3 PRO 33 12.690 -30.341 -27.144 210 HG2 PRO 33 HG2 PRO 33 14.563 -32.215 -28.537 211 HG3 PRO 33 HG3 PRO 33 12.797 -32.292 -28.404 212 HD2 PRO 33 HD2 PRO 33 14.053 -31.372 -30.619 213 HD3 PRO 33 HD3 PRO 33 12.477 -30.750 -30.087 214 H TRP 34 H TRP 34 16.292 -30.245 -29.532 215 HA TRP 34 HA TRP 34 18.307 -30.462 -27.532 216 HB2 TRP 34 HB2 TRP 34 18.265 -30.699 -30.522 217 HB3 TRP 34 HB3 TRP 34 19.803 -30.651 -29.665 218 HD1 TRP 34 HD1 TRP 34 16.536 -32.745 -29.640 219 HE1 TRP 34 HE1 TRP 34 17.152 -35.162 -29.004 220 HE3 TRP 34 HE3 TRP 34 21.531 -32.105 -28.759 221 HZ2 TRP 34 HZ2 TRP 34 19.450 -36.606 -28.232 222 HZ3 TRP 34 HZ3 TRP 34 22.867 -34.055 -28.075 223 HH2 TRP 34 HH2 TRP 34 21.846 -36.257 -27.817 224 H GLU 35 H GLU 35 17.364 -27.980 -29.805 225 HA GLU 35 HA GLU 35 19.637 -26.328 -28.934 226 HB2 GLU 35 HB2 GLU 35 18.031 -26.437 -31.446 227 HB3 GLU 35 HB3 GLU 35 18.723 -24.896 -30.962 228 HG2 GLU 35 HG2 GLU 35 20.911 -26.330 -30.714 229 HG3 GLU 35 HG3 GLU 35 20.073 -27.388 -31.848 230 H MET 36 H MET 36 16.135 -26.379 -29.344 231 HA MET 36 HA MET 36 15.975 -23.991 -27.625 232 HB2 MET 36 HB2 MET 36 14.267 -24.792 -29.974 233 HB3 MET 36 HB3 MET 36 13.725 -23.620 -28.781 234 HG2 MET 36 HG2 MET 36 16.001 -22.460 -29.323 235 HG3 MET 36 HG3 MET 36 15.888 -23.397 -30.810 236 HE1 MET 36 HE1 MET 36 15.818 -19.968 -30.680 237 HE2 MET 36 HE2 MET 36 16.143 -21.146 -31.952 238 HE3 MET 36 HE3 MET 36 14.855 -19.958 -32.159 239 H MET 37 H MET 37 15.718 -25.051 -25.691 240 HA MET 37 HA MET 37 13.669 -27.102 -25.442 241 HB2 MET 37 HB2 MET 37 15.981 -27.157 -24.313 242 HB3 MET 37 HB3 MET 37 15.317 -25.977 -23.189 243 HG2 MET 37 HG2 MET 37 13.830 -28.509 -23.677 244 HG3 MET 37 HG3 MET 37 15.261 -28.532 -22.649 245 HE1 MET 37 HE1 MET 37 11.662 -28.498 -20.678 246 HE2 MET 37 HE2 MET 37 11.414 -28.225 -22.403 247 HE3 MET 37 HE3 MET 37 12.528 -29.481 -21.859 248 H VAL 38 H VAL 38 11.645 -26.344 -25.350 249 HA VAL 38 HA VAL 38 11.070 -23.844 -23.971 250 HB VAL 38 HB VAL 38 9.214 -25.681 -25.491 251 HG11 VAL 38 HG11 VAL 38 7.756 -24.508 -24.174 252 HG12 VAL 38 HG12 VAL 38 8.822 -23.108 -24.048 253 HG13 VAL 38 HG13 VAL 38 7.912 -23.393 -25.532 254 HG21 VAL 38 HG21 VAL 38 10.984 -23.455 -26.304 255 HG22 VAL 38 HG22 VAL 38 10.446 -24.868 -27.213 256 HG23 VAL 38 HG23 VAL 38 9.369 -23.487 -27.013 257 H GLY 39 H GLY 39 11.228 -24.253 -21.796 258 HA2 GLY 39 HA2 GLY 39 9.044 -25.788 -20.648 259 HA3 GLY 39 HA3 GLY 39 10.657 -26.373 -20.269 260 H ASN 40 H ASN 40 9.727 -22.996 -20.651 261 HA ASN 40 HA ASN 40 10.298 -22.603 -17.785 262 HB2 ASN 40 HB2 ASN 40 10.962 -20.879 -20.169 263 HB3 ASN 40 HB3 ASN 40 10.958 -20.242 -18.527 264 HD21 ASN 40 HD21 ASN 40 13.248 -19.987 -19.704 265 HD22 ASN 40 HD22 ASN 40 14.402 -21.166 -19.192 266 H CYS 41 H CYS 41 9.195 -20.784 -16.768 267 HA CYS 41 HA CYS 41 6.594 -20.205 -18.027 268 HB2 CYS 41 HB2 CYS 41 7.070 -20.457 -15.056 269 HB3 CYS 41 HB3 CYS 41 5.525 -20.331 -15.888 270 H MET 42 H MET 42 5.933 -18.126 -18.075 271 HA MET 42 HA MET 42 7.612 -16.145 -16.682 272 HB2 MET 42 HB2 MET 42 6.647 -16.270 -19.486 273 HB3 MET 42 HB3 MET 42 6.639 -14.689 -18.717 274 HG2 MET 42 HG2 MET 42 8.693 -14.989 -19.919 275 HG3 MET 42 HG3 MET 42 9.023 -14.956 -18.189 276 HE1 MET 42 HE1 MET 42 8.422 -18.722 -20.566 277 HE2 MET 42 HE2 MET 42 7.953 -17.077 -20.999 278 HE3 MET 42 HE3 MET 42 9.555 -17.679 -21.428 279 H CYS 43 H CYS 43 6.479 -14.017 -16.362 280 HA CYS 43 HA CYS 43 4.027 -14.467 -14.982 281 HB2 CYS 43 HB2 CYS 43 5.579 -11.959 -15.629 282 HB3 CYS 43 HB3 CYS 43 4.086 -11.946 -14.697 283 H GLY 44 H GLY 44 1.959 -13.701 -15.443 284 HA2 GLY 44 HA2 GLY 44 1.456 -12.352 -17.963 285 HA3 GLY 44 HA3 GLY 44 0.867 -14.005 -17.874 286 HA PRO 45 HA PRO 45 -2.152 -10.846 -15.990 287 HB2 PRO 45 HB2 PRO 45 -3.987 -10.821 -17.990 288 HB3 PRO 45 HB3 PRO 45 -2.630 -9.690 -17.917 289 HG2 PRO 45 HG2 PRO 45 -2.913 -12.207 -19.513 290 HG3 PRO 45 HG3 PRO 45 -2.256 -10.636 -20.008 291 HD2 PRO 45 HD2 PRO 45 -0.677 -12.726 -19.320 292 HD3 PRO 45 HD3 PRO 45 -0.212 -11.038 -19.019 293 H LYS 46 H LYS 46 -3.827 -11.573 -14.786 294 HA LYS 46 HA LYS 46 -4.415 -14.360 -14.764 295 HB2 LYS 46 HB2 LYS 46 -4.448 -12.606 -12.824 296 HB3 LYS 46 HB3 LYS 46 -6.103 -12.325 -13.348 297 HG2 LYS 46 HG2 LYS 46 -6.608 -14.696 -13.002 298 HG3 LYS 46 HG3 LYS 46 -4.953 -14.960 -12.449 299 HD2 LYS 46 HD2 LYS 46 -6.194 -14.720 -10.478 300 HD3 LYS 46 HD3 LYS 46 -5.439 -13.143 -10.712 301 HE2 LYS 46 HE2 LYS 46 -8.145 -13.625 -11.860 302 HE3 LYS 46 HE3 LYS 46 -7.996 -13.360 -10.123 303 HZ1 LYS 46 HZ1 LYS 46 -6.462 -11.401 -11.259 304 HZ2 LYS 46 HZ2 LYS 46 -8.008 -11.206 -10.600 305 HZ3 LYS 46 HZ3 LYS 46 -7.824 -11.479 -12.259 306 H ALA 47 H ALA 47 -5.771 -15.386 -16.064 307 HA ALA 47 HA ALA 47 -7.670 -13.957 -17.685 308 HB1 ALA 47 HB1 ALA 47 -6.922 -16.857 -17.445 309 HB2 ALA 47 HB2 ALA 47 -8.245 -16.307 -18.474 310 HB3 ALA 47 HB3 ALA 47 -6.602 -15.742 -18.774 Start of MODEL 6 1 H1 SER 1 H SER 1 4.831 0.837 0.678 2 HA SER 1 HA SER 1 3.787 -1.498 -0.201 3 HB2 SER 1 HB2 SER 1 4.321 0.975 -1.863 4 HB3 SER 1 HB3 SER 1 3.241 -0.334 -2.343 5 HG SER 1 HG SER 1 1.788 0.349 -0.964 6 H LYS 2 H LYS 2 4.138 -2.949 -1.901 7 HA LYS 2 HA LYS 2 6.951 -3.198 -2.676 8 HB2 LYS 2 HB2 LYS 2 5.677 -5.094 -1.553 9 HB3 LYS 2 HB3 LYS 2 4.776 -5.254 -3.055 10 HG2 LYS 2 HG2 LYS 2 6.674 -5.931 -4.252 11 HG3 LYS 2 HG3 LYS 2 7.773 -5.382 -2.982 12 HD2 LYS 2 HD2 LYS 2 6.703 -7.121 -1.487 13 HD3 LYS 2 HD3 LYS 2 5.923 -7.758 -2.938 14 HE2 LYS 2 HE2 LYS 2 7.930 -8.448 -3.868 15 HE3 LYS 2 HE3 LYS 2 8.882 -7.332 -2.890 16 HZ1 LYS 2 HZ1 LYS 2 7.548 -9.092 -1.172 17 HZ2 LYS 2 HZ2 LYS 2 9.212 -8.946 -1.434 18 HZ3 LYS 2 HZ3 LYS 2 8.298 -10.016 -2.373 19 H GLU 3 H GLU 3 7.555 -3.660 -4.842 20 HA GLU 3 HA GLU 3 5.583 -2.749 -6.834 21 HB2 GLU 3 HB2 GLU 3 8.575 -2.353 -6.738 22 HB3 GLU 3 HB3 GLU 3 7.607 -2.032 -8.169 23 HG2 GLU 3 HG2 GLU 3 6.940 -0.744 -5.556 24 HG3 GLU 3 HG3 GLU 3 8.203 -0.086 -6.597 25 H CYS 4 H CYS 4 4.816 -4.750 -7.441 26 HA CYS 4 HA CYS 4 6.443 -6.999 -7.971 27 HB2 CYS 4 HB2 CYS 4 4.433 -7.920 -9.086 28 HB3 CYS 4 HB3 CYS 4 4.074 -7.252 -7.496 29 H MET 5 H MET 5 5.893 -8.017 -10.372 30 HA MET 5 HA MET 5 7.007 -6.051 -12.265 31 HB2 MET 5 HB2 MET 5 7.440 -9.040 -12.312 32 HB3 MET 5 HB3 MET 5 8.218 -7.843 -13.339 33 HG2 MET 5 HG2 MET 5 9.328 -6.891 -11.375 34 HG3 MET 5 HG3 MET 5 8.564 -8.114 -10.362 35 HE1 MET 5 HE1 MET 5 8.769 -10.525 -10.663 36 HE2 MET 5 HE2 MET 5 9.031 -10.923 -12.360 37 HE3 MET 5 HE3 MET 5 10.247 -11.352 -11.155 38 H THR 6 H THR 6 6.536 -6.549 -14.575 39 HA THR 6 HA THR 6 3.720 -7.283 -14.839 40 HB THR 6 HB THR 6 4.124 -6.376 -17.236 41 HG1 THR 6 HG1 THR 6 6.045 -5.582 -17.609 42 HG21 THR 6 HG21 THR 6 4.249 -4.561 -14.824 43 HG22 THR 6 HG22 THR 6 2.789 -5.198 -15.583 44 HG23 THR 6 HG23 THR 6 3.809 -4.055 -16.455 45 H ASP 7 H ASP 7 3.270 -8.231 -17.178 46 HA ASP 7 HA ASP 7 4.348 -10.857 -17.167 47 HB2 ASP 7 HB2 ASP 7 2.969 -11.243 -19.125 48 HB3 ASP 7 HB3 ASP 7 2.055 -10.309 -17.943 49 H GLY 8 H GLY 8 5.621 -11.900 -18.756 50 HA2 GLY 8 HA2 GLY 8 6.953 -11.844 -20.761 51 HA3 GLY 8 HA3 GLY 8 7.142 -10.111 -20.534 52 H THR 9 H THR 9 7.582 -10.764 -17.563 53 HA THR 9 HA THR 9 10.465 -11.135 -17.833 54 HB THR 9 HB THR 9 8.817 -10.295 -15.439 55 HG1 THR 9 HG1 THR 9 8.918 -8.432 -16.428 56 HG21 THR 9 HG21 THR 9 10.891 -11.433 -14.780 57 HG22 THR 9 HG22 THR 9 10.955 -9.710 -14.407 58 HG23 THR 9 HG23 THR 9 11.815 -10.341 -15.811 59 H VAL 10 H VAL 10 11.425 -13.005 -17.406 60 HA VAL 10 HA VAL 10 10.135 -15.361 -16.777 61 HB VAL 10 HB VAL 10 13.015 -14.662 -16.184 62 HG11 VAL 10 HG11 VAL 10 11.499 -17.241 -16.170 63 HG12 VAL 10 HG12 VAL 10 13.218 -17.219 -16.570 64 HG13 VAL 10 HG13 VAL 10 12.667 -16.624 -15.002 65 HG21 VAL 10 HG21 VAL 10 11.744 -15.917 -18.614 66 HG22 VAL 10 HG22 VAL 10 12.450 -14.304 -18.521 67 HG23 VAL 10 HG23 VAL 10 13.477 -15.728 -18.350 68 H CYS 11 H CYS 11 9.721 -16.511 -14.931 69 HA CYS 11 HA CYS 11 10.495 -15.372 -12.354 70 HB2 CYS 11 HB2 CYS 11 8.219 -15.489 -11.481 71 HB3 CYS 11 HB3 CYS 11 8.285 -14.410 -12.870 72 H TYR 12 H TYR 12 9.946 -16.876 -10.534 73 HA TYR 12 HA TYR 12 9.715 -19.676 -11.343 74 HB2 TYR 12 HB2 TYR 12 12.107 -18.399 -10.140 75 HB3 TYR 12 HB3 TYR 12 11.642 -19.967 -9.490 76 HD1 TYR 12 HD2 TYR 12 12.828 -18.180 -12.470 77 HD2 TYR 12 HD1 TYR 12 11.840 -21.973 -10.816 78 HE1 TYR 12 HE2 TYR 12 13.942 -19.287 -14.362 79 HE2 TYR 12 HE1 TYR 12 12.952 -23.091 -12.703 80 HH TYR 12 HH TYR 12 15.087 -21.856 -14.576 81 H ILE 13 H ILE 13 8.355 -20.732 -10.060 82 HA ILE 13 HA ILE 13 7.029 -19.506 -7.912 83 HB ILE 13 HB ILE 13 7.212 -22.475 -8.423 84 HG12 ILE 13 HG12 ILE 13 6.554 -21.348 -10.477 85 HG13 ILE 13 HG13 ILE 13 5.161 -22.168 -9.779 86 HG21 ILE 13 HG21 ILE 13 4.958 -22.482 -7.387 87 HG22 ILE 13 HG22 ILE 13 6.236 -21.971 -6.286 88 HG23 ILE 13 HG23 ILE 13 5.165 -20.771 -7.012 89 HD11 ILE 13 HD11 ILE 13 5.498 -19.410 -10.442 90 HD12 ILE 13 HD12 ILE 13 4.048 -20.266 -9.919 91 HD13 ILE 13 HD13 ILE 13 5.145 -19.574 -8.723 92 H HIS 14 H HIS 14 9.989 -21.258 -8.060 93 HA HIS 14 HA HIS 14 10.070 -21.443 -5.122 94 HB2 HIS 14 HB2 HIS 14 10.441 -23.497 -6.748 95 HB3 HIS 14 HB3 HIS 14 12.071 -22.838 -6.846 96 HD1 HIS 14 HD1 HIS 14 13.430 -24.355 -5.428 97 HD2 HIS 14 HD2 HIS 14 9.869 -23.267 -3.583 98 HE1 HIS 14 HE1 HIS 14 13.549 -25.324 -3.111 99 H ASN 15 H ASN 15 10.544 -19.005 -6.585 100 HA ASN 15 HA ASN 15 13.349 -18.553 -5.819 101 HB2 ASN 15 HB2 ASN 15 13.035 -18.623 -8.313 102 HB3 ASN 15 HB3 ASN 15 11.977 -17.222 -8.163 103 HD21 ASN 15 HD21 ASN 15 15.099 -18.142 -6.742 104 HD22 ASN 15 HD22 ASN 15 15.922 -16.693 -7.193 105 H HIS 16 H HIS 16 10.588 -18.083 -4.600 106 HA HIS 16 HA HIS 16 9.497 -16.490 -3.389 107 HB2 HIS 16 HB2 HIS 16 12.377 -15.662 -3.189 108 HB3 HIS 16 HB3 HIS 16 11.119 -14.704 -2.415 109 HD1 HIS 16 HD1 HIS 16 9.415 -16.451 -0.918 110 HD2 HIS 16 HD2 HIS 16 13.420 -17.425 -1.446 111 HE1 HIS 16 HE1 HIS 16 9.961 -18.073 0.925 112 H ASN 17 H ASN 17 9.658 -16.100 -6.283 113 HA ASN 17 HA ASN 17 9.856 -13.224 -6.635 114 HB2 ASN 17 HB2 ASN 17 9.413 -15.554 -8.477 115 HB3 ASN 17 HB3 ASN 17 9.057 -13.917 -9.021 116 HD21 ASN 17 HD21 ASN 17 10.874 -15.143 -10.436 117 HD22 ASN 17 HD22 ASN 17 12.472 -14.597 -10.071 118 H ASP 18 H ASP 18 8.205 -11.866 -6.457 119 HA ASP 18 HA ASP 18 5.481 -12.979 -6.397 120 HB2 ASP 18 HB2 ASP 18 6.460 -10.372 -5.216 121 HB3 ASP 18 HB3 ASP 18 4.853 -11.068 -5.030 122 H CYS 19 H CYS 19 4.547 -12.751 -8.326 123 HA CYS 19 HA CYS 19 4.904 -10.201 -9.757 124 HB2 CYS 19 HB2 CYS 19 4.758 -13.012 -10.665 125 HB3 CYS 19 HB3 CYS 19 3.883 -11.846 -11.651 126 H CYS 20 H CYS 20 3.172 -8.964 -10.145 127 HA CYS 20 HA CYS 20 0.769 -9.282 -8.821 128 HB2 CYS 20 HB2 CYS 20 1.706 -7.592 -11.078 129 HB3 CYS 20 HB3 CYS 20 -0.034 -7.708 -10.839 130 H GLY 21 H GLY 21 1.784 -10.588 -11.881 131 HA2 GLY 21 HA2 GLY 21 -0.944 -11.540 -12.428 132 HA3 GLY 21 HA3 GLY 21 0.375 -11.497 -13.588 133 H SER 22 H SER 22 -0.923 -13.769 -13.582 134 HA SER 22 HA SER 22 0.394 -15.620 -11.739 135 HB2 SER 22 HB2 SER 22 -2.090 -15.655 -13.334 136 HB3 SER 22 HB3 SER 22 -1.230 -17.193 -13.254 137 HG SER 22 HG SER 22 -1.830 -15.647 -10.960 138 H CYS 23 H CYS 23 1.910 -17.058 -12.347 139 HA CYS 23 HA CYS 23 3.253 -16.694 -14.825 140 HB2 CYS 23 HB2 CYS 23 3.555 -18.627 -12.542 141 HB3 CYS 23 HB3 CYS 23 4.498 -18.821 -14.017 142 H LEU 24 H LEU 24 2.954 -17.660 -16.724 143 HA LEU 24 HA LEU 24 1.170 -20.003 -16.821 144 HB2 LEU 24 HB2 LEU 24 1.646 -17.791 -18.803 145 HB3 LEU 24 HB3 LEU 24 0.800 -19.281 -19.216 146 HG LEU 24 HG LEU 24 -0.083 -17.230 -17.186 147 HD11 LEU 24 HD11 LEU 24 -0.672 -16.232 -19.141 148 HD12 LEU 24 HD12 LEU 24 -2.060 -17.303 -18.953 149 HD13 LEU 24 HD13 LEU 24 -0.739 -17.754 -20.030 150 HD21 LEU 24 HD21 LEU 24 -2.144 -19.031 -17.859 151 HD22 LEU 24 HD22 LEU 24 -1.355 -18.815 -16.297 152 HD23 LEU 24 HD23 LEU 24 -0.729 -19.999 -17.446 153 H CYS 25 H CYS 25 2.206 -21.838 -17.194 154 HA CYS 25 HA CYS 25 4.819 -21.833 -18.457 155 HB2 CYS 25 HB2 CYS 25 3.238 -24.208 -17.461 156 HB3 CYS 25 HB3 CYS 25 4.966 -24.138 -17.789 157 H SER 26 H SER 26 5.217 -22.336 -20.514 158 HA SER 26 HA SER 26 2.994 -22.953 -22.262 159 HB2 SER 26 HB2 SER 26 4.318 -21.448 -23.370 160 HB3 SER 26 HB3 SER 26 5.799 -22.027 -22.608 161 HG SER 26 HG SER 26 5.899 -23.683 -24.046 162 H ASN 27 H ASN 27 2.368 -24.984 -22.536 163 HA ASN 27 HA ASN 27 4.415 -27.102 -22.529 164 HB2 ASN 27 HB2 ASN 27 2.687 -27.189 -20.698 165 HB3 ASN 27 HB3 ASN 27 1.469 -27.444 -21.945 166 HD21 ASN 27 HD21 ASN 27 0.855 -29.478 -21.581 167 HD22 ASN 27 HD22 ASN 27 1.907 -30.848 -21.592 168 H GLY 28 H GLY 28 3.531 -25.422 -24.794 169 HA2 GLY 28 HA2 GLY 28 1.757 -26.651 -26.521 170 HA3 GLY 28 HA3 GLY 28 3.162 -25.734 -27.041 171 HA PRO 29 HA PRO 29 3.496 -30.349 -28.097 172 HB2 PRO 29 HB2 PRO 29 3.154 -30.137 -30.782 173 HB3 PRO 29 HB3 PRO 29 1.815 -30.402 -29.661 174 HG2 PRO 29 HG2 PRO 29 2.741 -27.858 -30.936 175 HG3 PRO 29 HG3 PRO 29 1.088 -28.458 -30.708 176 HD2 PRO 29 HD2 PRO 29 2.196 -26.591 -29.089 177 HD3 PRO 29 HD3 PRO 29 1.010 -27.776 -28.507 178 H ILE 30 H ILE 30 5.481 -31.121 -28.515 179 HA ILE 30 HA ILE 30 7.365 -29.391 -29.980 180 HB ILE 30 HB ILE 30 9.171 -30.388 -28.561 181 HG12 ILE 30 HG12 ILE 30 7.549 -31.032 -26.291 182 HG13 ILE 30 HG13 ILE 30 7.014 -32.004 -27.659 183 HG21 ILE 30 HG21 ILE 30 7.064 -28.543 -27.590 184 HG22 ILE 30 HG22 ILE 30 8.268 -29.090 -26.424 185 HG23 ILE 30 HG23 ILE 30 8.778 -28.252 -27.889 186 HD11 ILE 30 HD11 ILE 30 9.550 -32.071 -26.158 187 HD12 ILE 30 HD12 ILE 30 8.623 -33.380 -26.889 188 HD13 ILE 30 HD13 ILE 30 9.646 -32.356 -27.895 189 H ALA 31 H ALA 31 8.005 -30.282 -31.817 190 HA ALA 31 HA ALA 31 7.853 -33.188 -32.137 191 HB1 ALA 31 HB1 ALA 31 6.816 -31.466 -33.767 192 HB2 ALA 31 HB2 ALA 31 8.467 -31.286 -34.364 193 HB3 ALA 31 HB3 ALA 31 7.674 -32.860 -34.424 194 H ARG 32 H ARG 32 10.123 -30.530 -32.127 195 HA ARG 32 HA ARG 32 12.317 -32.478 -32.352 196 HB2 ARG 32 HB2 ARG 32 12.303 -29.688 -33.519 197 HB3 ARG 32 HB3 ARG 32 13.640 -30.830 -33.584 198 HG2 ARG 32 HG2 ARG 32 12.206 -32.363 -34.899 199 HG3 ARG 32 HG3 ARG 32 10.956 -31.116 -34.916 200 HD2 ARG 32 HD2 ARG 32 12.807 -29.599 -35.883 201 HD3 ARG 32 HD3 ARG 32 13.651 -31.110 -36.226 202 HE ARG 32 HE ARG 32 11.107 -31.408 -37.248 203 HH11 ARG 32 HH11 ARG 32 13.808 -29.267 -37.738 204 HH12 ARG 32 HH12 ARG 32 13.439 -28.971 -39.405 205 HH21 ARG 32 HH21 ARG 32 10.610 -31.027 -39.441 206 HH22 ARG 32 HH22 ARG 32 11.618 -29.972 -40.372 207 HA PRO 33 HA PRO 33 12.629 -30.034 -28.416 208 HB2 PRO 33 HB2 PRO 33 13.159 -32.186 -26.847 209 HB3 PRO 33 HB3 PRO 33 11.516 -31.658 -27.232 210 HG2 PRO 33 HG2 PRO 33 13.138 -33.852 -28.464 211 HG3 PRO 33 HG3 PRO 33 11.427 -33.852 -27.998 212 HD2 PRO 33 HD2 PRO 33 12.241 -33.507 -30.558 213 HD3 PRO 33 HD3 PRO 33 10.778 -32.738 -29.908 214 H TRP 34 H TRP 34 14.620 -32.218 -30.186 215 HA TRP 34 HA TRP 34 16.969 -32.004 -28.591 216 HB2 TRP 34 HB2 TRP 34 16.388 -32.948 -31.380 217 HB3 TRP 34 HB3 TRP 34 18.055 -32.738 -30.850 218 HD1 TRP 34 HD1 TRP 34 14.884 -34.678 -29.738 219 HE1 TRP 34 HE1 TRP 34 15.647 -36.888 -28.662 220 HE3 TRP 34 HE3 TRP 34 19.943 -33.977 -29.944 221 HZ2 TRP 34 HZ2 TRP 34 18.072 -38.165 -27.989 222 HZ3 TRP 34 HZ3 TRP 34 21.416 -35.740 -29.062 223 HH2 TRP 34 HH2 TRP 34 20.497 -37.789 -28.105 224 H GLU 35 H GLU 35 15.595 -30.130 -31.207 225 HA GLU 35 HA GLU 35 17.971 -28.404 -31.242 226 HB2 GLU 35 HB2 GLU 35 15.643 -28.570 -33.164 227 HB3 GLU 35 HB3 GLU 35 16.993 -27.455 -33.314 228 HG2 GLU 35 HG2 GLU 35 17.693 -29.096 -34.716 229 HG3 GLU 35 HG3 GLU 35 18.401 -29.677 -33.210 230 H MET 36 H MET 36 14.524 -28.438 -30.610 231 HA MET 36 HA MET 36 14.766 -25.718 -29.509 232 HB2 MET 36 HB2 MET 36 12.333 -26.846 -30.907 233 HB3 MET 36 HB3 MET 36 12.492 -25.230 -30.231 234 HG2 MET 36 HG2 MET 36 14.351 -26.188 -32.367 235 HG3 MET 36 HG3 MET 36 12.757 -25.552 -32.765 236 HE1 MET 36 HE1 MET 36 12.110 -23.616 -33.046 237 HE2 MET 36 HE2 MET 36 12.505 -22.191 -32.084 238 HE3 MET 36 HE3 MET 36 13.299 -22.455 -33.638 239 H MET 37 H MET 37 14.999 -26.363 -27.395 240 HA MET 37 HA MET 37 12.825 -27.986 -26.255 241 HB2 MET 37 HB2 MET 37 15.158 -28.845 -25.988 242 HB3 MET 37 HB3 MET 37 15.536 -27.407 -25.051 243 HG2 MET 37 HG2 MET 37 15.087 -28.896 -23.384 244 HG3 MET 37 HG3 MET 37 13.497 -28.169 -23.609 245 HE1 MET 37 HE1 MET 37 15.831 -31.058 -24.718 246 HE2 MET 37 HE2 MET 37 15.257 -31.473 -23.102 247 HE3 MET 37 HE3 MET 37 14.782 -32.457 -24.488 248 H VAL 38 H VAL 38 11.279 -26.766 -25.394 249 HA VAL 38 HA VAL 38 12.081 -24.460 -23.746 250 HB VAL 38 HB VAL 38 11.129 -23.588 -25.797 251 HG11 VAL 38 HG11 VAL 38 9.819 -25.656 -26.333 252 HG12 VAL 38 HG12 VAL 38 8.611 -25.117 -25.164 253 HG13 VAL 38 HG13 VAL 38 8.953 -24.143 -26.595 254 HG21 VAL 38 HG21 VAL 38 10.438 -22.817 -23.330 255 HG22 VAL 38 HG22 VAL 38 9.842 -22.017 -24.786 256 HG23 VAL 38 HG23 VAL 38 8.838 -23.211 -23.962 257 H GLY 39 H GLY 39 11.035 -24.203 -21.816 258 HA2 GLY 39 HA2 GLY 39 8.586 -25.472 -21.145 259 HA3 GLY 39 HA3 GLY 39 9.940 -26.409 -20.533 260 H ASN 40 H ASN 40 9.811 -22.898 -20.810 261 HA ASN 40 HA ASN 40 10.210 -22.734 -17.910 262 HB2 ASN 40 HB2 ASN 40 10.897 -20.936 -20.209 263 HB3 ASN 40 HB3 ASN 40 10.756 -20.262 -18.588 264 HD21 ASN 40 HD21 ASN 40 11.961 -21.618 -16.894 265 HD22 ASN 40 HD22 ASN 40 13.565 -22.092 -17.327 266 H CYS 41 H CYS 41 9.223 -20.787 -16.832 267 HA CYS 41 HA CYS 41 6.540 -20.231 -17.914 268 HB2 CYS 41 HB2 CYS 41 7.157 -20.576 -14.978 269 HB3 CYS 41 HB3 CYS 41 5.573 -20.433 -15.734 270 H MET 42 H MET 42 6.067 -18.142 -18.099 271 HA MET 42 HA MET 42 7.702 -16.210 -16.589 272 HB2 MET 42 HB2 MET 42 6.488 -15.985 -19.345 273 HB3 MET 42 HB3 MET 42 7.195 -14.627 -18.479 274 HG2 MET 42 HG2 MET 42 8.994 -15.231 -19.703 275 HG3 MET 42 HG3 MET 42 9.251 -16.285 -18.315 276 HE1 MET 42 HE1 MET 42 10.903 -17.216 -20.494 277 HE2 MET 42 HE2 MET 42 10.201 -18.106 -21.845 278 HE3 MET 42 HE3 MET 42 9.995 -16.357 -21.738 279 H CYS 43 H CYS 43 6.599 -14.075 -16.248 280 HA CYS 43 HA CYS 43 4.125 -14.496 -14.914 281 HB2 CYS 43 HB2 CYS 43 5.702 -12.002 -15.551 282 HB3 CYS 43 HB3 CYS 43 4.197 -11.971 -14.639 283 H GLY 44 H GLY 44 2.062 -13.799 -15.421 284 HA2 GLY 44 HA2 GLY 44 1.598 -12.440 -17.955 285 HA3 GLY 44 HA3 GLY 44 0.984 -14.082 -17.839 286 HA PRO 45 HA PRO 45 -1.995 -10.843 -16.028 287 HB2 PRO 45 HB2 PRO 45 -3.814 -10.815 -18.043 288 HB3 PRO 45 HB3 PRO 45 -2.439 -9.706 -17.975 289 HG2 PRO 45 HG2 PRO 45 -2.754 -12.241 -19.536 290 HG3 PRO 45 HG3 PRO 45 -2.065 -10.689 -20.049 291 HD2 PRO 45 HD2 PRO 45 -0.528 -12.795 -19.319 292 HD3 PRO 45 HD3 PRO 45 -0.037 -11.112 -19.038 293 H LYS 46 H LYS 46 -3.668 -11.538 -14.809 294 HA LYS 46 HA LYS 46 -4.418 -14.328 -14.992 295 HB2 LYS 46 HB2 LYS 46 -4.690 -12.159 -12.987 296 HB3 LYS 46 HB3 LYS 46 -5.930 -13.405 -12.966 297 HG2 LYS 46 HG2 LYS 46 -3.960 -15.061 -12.942 298 HG3 LYS 46 HG3 LYS 46 -2.994 -13.664 -12.462 299 HD2 LYS 46 HD2 LYS 46 -5.518 -14.458 -11.030 300 HD3 LYS 46 HD3 LYS 46 -3.934 -15.098 -10.587 301 HE2 LYS 46 HE2 LYS 46 -4.387 -12.145 -10.813 302 HE3 LYS 46 HE3 LYS 46 -4.846 -13.015 -9.350 303 HZ1 LYS 46 HZ1 LYS 46 -2.721 -12.422 -8.840 304 HZ2 LYS 46 HZ2 LYS 46 -2.177 -12.492 -10.440 305 HZ3 LYS 46 HZ3 LYS 46 -2.416 -13.920 -9.564 306 H ALA 47 H ALA 47 -6.489 -15.123 -15.334 307 HA ALA 47 HA ALA 47 -8.157 -13.490 -17.027 308 HB1 ALA 47 HB1 ALA 47 -8.012 -15.670 -17.799 309 HB2 ALA 47 HB2 ALA 47 -8.187 -16.361 -16.185 310 HB3 ALA 47 HB3 ALA 47 -9.582 -15.648 -16.994 Start of MODEL 7 1 H1 SER 1 H SER 1 -1.804 -2.440 -2.943 2 HA SER 1 HA SER 1 -0.590 -4.882 -3.688 3 HB2 SER 1 HB2 SER 1 -0.194 -3.887 -5.777 4 HB3 SER 1 HB3 SER 1 -1.622 -3.038 -5.187 5 HG SER 1 HG SER 1 -0.517 -1.260 -5.200 6 H LYS 2 H LYS 2 1.727 -4.480 -4.908 7 HA LYS 2 HA LYS 2 3.588 -3.079 -3.182 8 HB2 LYS 2 HB2 LYS 2 4.942 -5.054 -2.694 9 HB3 LYS 2 HB3 LYS 2 3.322 -5.230 -2.034 10 HG2 LYS 2 HG2 LYS 2 3.875 -6.342 -4.734 11 HG3 LYS 2 HG3 LYS 2 4.502 -7.193 -3.320 12 HD2 LYS 2 HD2 LYS 2 2.043 -6.861 -2.443 13 HD3 LYS 2 HD3 LYS 2 1.683 -6.723 -4.165 14 HE2 LYS 2 HE2 LYS 2 3.370 -8.989 -3.214 15 HE3 LYS 2 HE3 LYS 2 1.628 -9.052 -2.949 16 HZ1 LYS 2 HZ1 LYS 2 2.463 -10.084 -5.065 17 HZ2 LYS 2 HZ2 LYS 2 2.819 -8.523 -5.608 18 HZ3 LYS 2 HZ3 LYS 2 1.222 -8.950 -5.250 19 H GLU 3 H GLU 3 5.919 -3.529 -4.000 20 HA GLU 3 HA GLU 3 5.994 -2.810 -6.742 21 HB2 GLU 3 HB2 GLU 3 7.675 -2.014 -5.161 22 HB3 GLU 3 HB3 GLU 3 8.222 -3.661 -4.885 23 HG2 GLU 3 HG2 GLU 3 9.748 -2.531 -6.357 24 HG3 GLU 3 HG3 GLU 3 8.912 -3.809 -7.236 25 H CYS 4 H CYS 4 5.051 -4.449 -7.953 26 HA CYS 4 HA CYS 4 6.470 -7.027 -7.983 27 HB2 CYS 4 HB2 CYS 4 4.450 -7.927 -9.091 28 HB3 CYS 4 HB3 CYS 4 4.094 -7.249 -7.505 29 H MET 5 H MET 5 5.902 -8.030 -10.389 30 HA MET 5 HA MET 5 7.029 -6.067 -12.277 31 HB2 MET 5 HB2 MET 5 7.445 -9.059 -12.336 32 HB3 MET 5 HB3 MET 5 8.232 -7.859 -13.354 33 HG2 MET 5 HG2 MET 5 9.347 -6.927 -11.387 34 HG3 MET 5 HG3 MET 5 8.570 -8.146 -10.379 35 HE1 MET 5 HE1 MET 5 10.232 -11.421 -11.293 36 HE2 MET 5 HE2 MET 5 8.829 -10.590 -10.621 37 HE3 MET 5 HE3 MET 5 8.924 -10.899 -12.356 38 H THR 6 H THR 6 6.552 -6.557 -14.586 39 HA THR 6 HA THR 6 3.730 -7.276 -14.849 40 HB THR 6 HB THR 6 4.106 -6.356 -17.232 41 HG1 THR 6 HG1 THR 6 6.374 -6.308 -17.206 42 HG21 THR 6 HG21 THR 6 3.925 -4.896 -14.666 43 HG22 THR 6 HG22 THR 6 2.828 -4.903 -16.047 44 HG23 THR 6 HG23 THR 6 4.297 -3.929 -16.093 45 H ASP 7 H ASP 7 3.273 -8.217 -17.189 46 HA ASP 7 HA ASP 7 4.333 -10.848 -17.186 47 HB2 ASP 7 HB2 ASP 7 2.980 -11.188 -19.197 48 HB3 ASP 7 HB3 ASP 7 2.054 -10.343 -17.960 49 H GLY 8 H GLY 8 5.602 -11.895 -18.776 50 HA2 GLY 8 HA2 GLY 8 6.938 -11.842 -20.778 51 HA3 GLY 8 HA3 GLY 8 7.141 -10.111 -20.544 52 H THR 9 H THR 9 7.570 -10.775 -17.575 53 HA THR 9 HA THR 9 10.450 -11.188 -17.844 54 HB THR 9 HB THR 9 8.819 -10.289 -15.460 55 HG1 THR 9 HG1 THR 9 9.113 -8.349 -16.246 56 HG21 THR 9 HG21 THR 9 10.968 -9.733 -14.435 57 HG22 THR 9 HG22 THR 9 11.815 -10.398 -15.832 58 HG23 THR 9 HG23 THR 9 10.869 -11.458 -14.787 59 H VAL 10 H VAL 10 11.375 -13.071 -17.395 60 HA VAL 10 HA VAL 10 10.042 -15.396 -16.736 61 HB VAL 10 HB VAL 10 12.927 -14.808 -16.062 62 HG11 VAL 10 HG11 VAL 10 13.026 -17.336 -16.682 63 HG12 VAL 10 HG12 VAL 10 12.479 -16.849 -15.078 64 HG13 VAL 10 HG13 VAL 10 11.303 -17.304 -16.312 65 HG21 VAL 10 HG21 VAL 10 11.625 -15.632 -18.648 66 HG22 VAL 10 HG22 VAL 10 12.659 -14.235 -18.344 67 HG23 VAL 10 HG23 VAL 10 13.345 -15.860 -18.324 68 H CYS 11 H CYS 11 9.691 -16.559 -14.865 69 HA CYS 11 HA CYS 11 10.445 -15.367 -12.309 70 HB2 CYS 11 HB2 CYS 11 8.160 -15.524 -11.433 71 HB3 CYS 11 HB3 CYS 11 8.234 -14.425 -12.806 72 H TYR 12 H TYR 12 10.275 -16.827 -10.517 73 HA TYR 12 HA TYR 12 10.007 -19.656 -11.285 74 HB2 TYR 12 HB2 TYR 12 12.290 -18.260 -10.005 75 HB3 TYR 12 HB3 TYR 12 11.869 -19.839 -9.350 76 HD1 TYR 12 HD1 TYR 12 11.688 -21.788 -11.028 77 HD2 TYR 12 HD2 TYR 12 13.613 -18.100 -11.920 78 HE1 TYR 12 HE1 TYR 12 12.920 -22.879 -12.856 79 HE2 TYR 12 HE2 TYR 12 14.849 -19.180 -13.750 80 HH TYR 12 HH TYR 12 15.486 -22.036 -14.105 81 H ILE 13 H ILE 13 8.646 -20.764 -10.048 82 HA ILE 13 HA ILE 13 7.199 -19.576 -7.949 83 HB ILE 13 HB ILE 13 7.475 -22.537 -8.460 84 HG12 ILE 13 HG12 ILE 13 6.883 -21.427 -10.542 85 HG13 ILE 13 HG13 ILE 13 5.479 -22.279 -9.906 86 HG21 ILE 13 HG21 ILE 13 6.019 -21.024 -6.551 87 HG22 ILE 13 HG22 ILE 13 4.869 -21.742 -7.677 88 HG23 ILE 13 HG23 ILE 13 6.012 -22.767 -6.811 89 HD11 ILE 13 HD11 ILE 13 4.935 -19.950 -8.846 90 HD12 ILE 13 HD12 ILE 13 5.985 -19.360 -10.136 91 HD13 ILE 13 HD13 ILE 13 4.543 -20.294 -10.531 92 H HIS 14 H HIS 14 10.196 -21.282 -8.004 93 HA HIS 14 HA HIS 14 10.181 -21.483 -5.068 94 HB2 HIS 14 HB2 HIS 14 10.670 -23.506 -6.695 95 HB3 HIS 14 HB3 HIS 14 12.281 -22.797 -6.740 96 HD1 HIS 14 HD1 HIS 14 13.696 -24.158 -5.241 97 HD2 HIS 14 HD2 HIS 14 9.944 -23.453 -3.602 98 HE1 HIS 14 HE1 HIS 14 13.764 -25.178 -2.943 99 H ASN 15 H ASN 15 10.647 -19.021 -6.524 100 HA ASN 15 HA ASN 15 13.395 -18.487 -5.617 101 HB2 ASN 15 HB2 ASN 15 13.210 -18.573 -8.125 102 HB3 ASN 15 HB3 ASN 15 12.110 -17.201 -8.033 103 HD21 ASN 15 HD21 ASN 15 15.155 -18.007 -6.400 104 HD22 ASN 15 HD22 ASN 15 15.971 -16.548 -6.834 105 H HIS 16 H HIS 16 10.575 -18.096 -4.529 106 HA HIS 16 HA HIS 16 9.379 -16.534 -3.378 107 HB2 HIS 16 HB2 HIS 16 12.204 -15.535 -3.081 108 HB3 HIS 16 HB3 HIS 16 10.852 -14.720 -2.301 109 HD1 HIS 16 HD1 HIS 16 13.228 -17.402 -1.809 110 HD2 HIS 16 HD2 HIS 16 9.393 -16.522 -0.474 111 HE1 HIS 16 HE1 HIS 16 12.872 -18.852 0.215 112 H ASN 17 H ASN 17 9.651 -16.158 -6.266 113 HA ASN 17 HA ASN 17 9.814 -13.299 -6.673 114 HB2 ASN 17 HB2 ASN 17 9.467 -15.692 -8.421 115 HB3 ASN 17 HB3 ASN 17 8.916 -14.134 -9.031 116 HD21 ASN 17 HD21 ASN 17 10.732 -12.389 -8.153 117 HD22 ASN 17 HD22 ASN 17 12.301 -12.759 -8.772 118 H ASP 18 H ASP 18 8.175 -11.937 -6.458 119 HA ASP 18 HA ASP 18 5.441 -13.025 -6.415 120 HB2 ASP 18 HB2 ASP 18 4.889 -10.910 -5.155 121 HB3 ASP 18 HB3 ASP 18 5.962 -12.023 -4.310 122 H CYS 19 H CYS 19 4.516 -12.776 -8.346 123 HA CYS 19 HA CYS 19 4.900 -10.219 -9.758 124 HB2 CYS 19 HB2 CYS 19 4.742 -13.021 -10.684 125 HB3 CYS 19 HB3 CYS 19 3.863 -11.850 -11.662 126 H CYS 20 H CYS 20 3.181 -8.964 -10.147 127 HA CYS 20 HA CYS 20 0.772 -9.264 -8.829 128 HB2 CYS 20 HB2 CYS 20 1.725 -7.579 -11.087 129 HB3 CYS 20 HB3 CYS 20 -0.015 -7.675 -10.839 130 H GLY 21 H GLY 21 1.779 -10.562 -11.898 131 HA2 GLY 21 HA2 GLY 21 -0.956 -11.491 -12.450 132 HA3 GLY 21 HA3 GLY 21 0.365 -11.456 -13.608 133 H SER 22 H SER 22 -0.954 -13.717 -13.611 134 HA SER 22 HA SER 22 0.343 -15.585 -11.772 135 HB2 SER 22 HB2 SER 22 -2.161 -15.560 -13.303 136 HB3 SER 22 HB3 SER 22 -1.310 -17.103 -13.365 137 HG SER 22 HG SER 22 -2.267 -15.704 -11.104 138 H CYS 23 H CYS 23 1.856 -17.023 -12.380 139 HA CYS 23 HA CYS 23 3.198 -16.668 -14.859 140 HB2 CYS 23 HB2 CYS 23 3.493 -18.610 -12.581 141 HB3 CYS 23 HB3 CYS 23 4.443 -18.791 -14.052 142 H LEU 24 H LEU 24 2.927 -17.661 -16.753 143 HA LEU 24 HA LEU 24 1.125 -19.989 -16.846 144 HB2 LEU 24 HB2 LEU 24 1.602 -17.784 -18.836 145 HB3 LEU 24 HB3 LEU 24 0.748 -19.271 -19.240 146 HG LEU 24 HG LEU 24 -0.118 -17.217 -17.206 147 HD11 LEU 24 HD11 LEU 24 -2.094 -17.265 -18.977 148 HD12 LEU 24 HD12 LEU 24 -0.773 -17.717 -20.054 149 HD13 LEU 24 HD13 LEU 24 -0.698 -16.201 -19.155 150 HD21 LEU 24 HD21 LEU 24 -1.420 -18.785 -16.334 151 HD22 LEU 24 HD22 LEU 24 -0.776 -19.977 -17.464 152 HD23 LEU 24 HD23 LEU 24 -2.186 -19.013 -17.906 153 H CYS 25 H CYS 25 2.150 -21.828 -17.230 154 HA CYS 25 HA CYS 25 4.764 -21.827 -18.492 155 HB2 CYS 25 HB2 CYS 25 3.178 -24.194 -17.484 156 HB3 CYS 25 HB3 CYS 25 4.903 -24.138 -17.828 157 H SER 26 H SER 26 5.159 -22.334 -20.549 158 HA SER 26 HA SER 26 2.920 -23.006 -22.273 159 HB2 SER 26 HB2 SER 26 4.128 -21.434 -23.409 160 HB3 SER 26 HB3 SER 26 5.650 -21.902 -22.651 161 HG SER 26 HG SER 26 4.805 -22.537 -25.054 162 H ASN 27 H ASN 27 2.394 -25.079 -22.465 163 HA ASN 27 HA ASN 27 4.558 -27.075 -22.568 164 HB2 ASN 27 HB2 ASN 27 1.679 -27.349 -21.686 165 HB3 ASN 27 HB3 ASN 27 2.764 -28.717 -21.914 166 HD21 ASN 27 HD21 ASN 27 3.456 -29.450 -20.052 167 HD22 ASN 27 HD22 ASN 27 3.913 -28.498 -18.683 168 H GLY 28 H GLY 28 3.497 -25.437 -24.790 169 HA2 GLY 28 HA2 GLY 28 1.746 -26.804 -26.456 170 HA3 GLY 28 HA3 GLY 28 3.029 -25.742 -27.017 171 HA PRO 29 HA PRO 29 3.784 -30.221 -28.297 172 HB2 PRO 29 HB2 PRO 29 3.580 -29.828 -30.975 173 HB3 PRO 29 HB3 PRO 29 2.197 -30.247 -29.958 174 HG2 PRO 29 HG2 PRO 29 3.044 -27.568 -30.992 175 HG3 PRO 29 HG3 PRO 29 1.419 -28.272 -30.905 176 HD2 PRO 29 HD2 PRO 29 2.326 -26.474 -29.095 177 HD3 PRO 29 HD3 PRO 29 1.180 -27.761 -28.670 178 H ILE 30 H ILE 30 5.613 -30.994 -29.556 179 HA ILE 30 HA ILE 30 7.645 -28.912 -30.030 180 HB ILE 30 HB ILE 30 9.350 -30.626 -29.364 181 HG12 ILE 30 HG12 ILE 30 7.634 -32.170 -27.656 182 HG13 ILE 30 HG13 ILE 30 7.068 -32.303 -29.318 183 HG21 ILE 30 HG21 ILE 30 8.000 -28.827 -27.853 184 HG22 ILE 30 HG22 ILE 30 7.731 -30.308 -26.935 185 HG23 ILE 30 HG23 ILE 30 9.374 -29.773 -27.283 186 HD11 ILE 30 HD11 ILE 30 9.589 -33.247 -28.087 187 HD12 ILE 30 HD12 ILE 30 8.548 -34.018 -29.285 188 HD13 ILE 30 HD13 ILE 30 9.638 -32.720 -29.770 189 H ALA 31 H ALA 31 8.216 -28.810 -32.090 190 HA ALA 31 HA ALA 31 7.907 -31.194 -33.777 191 HB1 ALA 31 HB1 ALA 31 8.527 -28.889 -35.321 192 HB2 ALA 31 HB2 ALA 31 7.027 -29.817 -35.275 193 HB3 ALA 31 HB3 ALA 31 7.262 -28.464 -34.167 194 H ARG 32 H ARG 32 10.239 -28.973 -32.497 195 HA ARG 32 HA ARG 32 12.398 -30.633 -33.442 196 HB2 ARG 32 HB2 ARG 32 13.624 -28.736 -34.501 197 HB3 ARG 32 HB3 ARG 32 12.183 -29.229 -35.381 198 HG2 ARG 32 HG2 ARG 32 11.067 -27.321 -33.947 199 HG3 ARG 32 HG3 ARG 32 12.728 -26.727 -33.878 200 HD2 ARG 32 HD2 ARG 32 12.750 -27.024 -36.416 201 HD3 ARG 32 HD3 ARG 32 10.999 -27.183 -36.292 202 HE ARG 32 HE ARG 32 11.913 -24.845 -34.967 203 HH11 ARG 32 HH11 ARG 32 11.271 -26.169 -38.121 204 HH12 ARG 32 HH12 ARG 32 10.952 -24.629 -38.847 205 HH21 ARG 32 HH21 ARG 32 11.496 -22.810 -35.911 206 HH22 ARG 32 HH22 ARG 32 11.081 -22.719 -37.589 207 HA PRO 33 HA PRO 33 12.932 -28.530 -29.309 208 HB2 PRO 33 HB2 PRO 33 13.370 -30.819 -27.916 209 HB3 PRO 33 HB3 PRO 33 11.754 -30.160 -28.198 210 HG2 PRO 33 HG2 PRO 33 13.182 -32.360 -29.643 211 HG3 PRO 33 HG3 PRO 33 11.492 -32.283 -29.112 212 HD2 PRO 33 HD2 PRO 33 12.238 -31.806 -31.671 213 HD3 PRO 33 HD3 PRO 33 10.853 -30.995 -30.914 214 H TRP 34 H TRP 34 14.714 -30.626 -31.353 215 HA TRP 34 HA TRP 34 17.114 -30.802 -29.855 216 HB2 TRP 34 HB2 TRP 34 16.369 -31.246 -32.719 217 HB3 TRP 34 HB3 TRP 34 18.072 -31.176 -32.276 218 HD1 TRP 34 HD1 TRP 34 14.917 -33.108 -31.070 219 HE1 TRP 34 HE1 TRP 34 15.642 -35.509 -30.488 220 HE3 TRP 34 HE3 TRP 34 19.929 -32.686 -31.987 221 HZ2 TRP 34 HZ2 TRP 34 18.024 -37.023 -30.426 222 HZ3 TRP 34 HZ3 TRP 34 21.361 -34.657 -31.642 223 HH2 TRP 34 HH2 TRP 34 20.426 -36.779 -30.876 224 H GLU 35 H GLU 35 15.742 -28.353 -31.890 225 HA GLU 35 HA GLU 35 18.266 -26.889 -32.029 226 HB2 GLU 35 HB2 GLU 35 15.582 -26.543 -33.338 227 HB3 GLU 35 HB3 GLU 35 16.768 -25.245 -33.348 228 HG2 GLU 35 HG2 GLU 35 18.381 -26.839 -34.395 229 HG3 GLU 35 HG3 GLU 35 17.055 -27.992 -34.537 230 H MET 36 H MET 36 15.224 -26.887 -30.361 231 HA MET 36 HA MET 36 16.119 -25.131 -28.355 232 HB2 MET 36 HB2 MET 36 14.587 -23.222 -28.788 233 HB3 MET 36 HB3 MET 36 15.865 -23.373 -29.987 234 HG2 MET 36 HG2 MET 36 14.282 -23.242 -31.529 235 HG3 MET 36 HG3 MET 36 13.789 -24.861 -31.040 236 HE1 MET 36 HE1 MET 36 13.290 -21.062 -30.624 237 HE2 MET 36 HE2 MET 36 12.313 -21.639 -31.974 238 HE3 MET 36 HE3 MET 36 11.530 -20.981 -30.537 239 H MET 37 H MET 37 15.110 -25.893 -26.626 240 HA MET 37 HA MET 37 12.376 -26.938 -26.936 241 HB2 MET 37 HB2 MET 37 14.417 -28.378 -26.100 242 HB3 MET 37 HB3 MET 37 14.084 -27.581 -24.567 243 HG2 MET 37 HG2 MET 37 11.692 -28.374 -24.846 244 HG3 MET 37 HG3 MET 37 12.296 -29.398 -26.145 245 HE1 MET 37 HE1 MET 37 12.628 -28.215 -22.680 246 HE2 MET 37 HE2 MET 37 11.794 -29.638 -22.055 247 HE3 MET 37 HE3 MET 37 13.527 -29.444 -21.789 248 H VAL 38 H VAL 38 10.851 -25.625 -26.199 249 HA VAL 38 HA VAL 38 11.493 -23.631 -24.169 250 HB VAL 38 HB VAL 38 8.889 -23.998 -25.651 251 HG11 VAL 38 HG11 VAL 38 8.512 -22.667 -23.748 252 HG12 VAL 38 HG12 VAL 38 10.035 -21.799 -23.952 253 HG13 VAL 38 HG13 VAL 38 8.706 -21.527 -25.078 254 HG21 VAL 38 HG21 VAL 38 9.733 -22.077 -27.046 255 HG22 VAL 38 HG22 VAL 38 11.328 -22.377 -26.356 256 HG23 VAL 38 HG23 VAL 38 10.536 -23.623 -27.321 257 H GLY 39 H GLY 39 11.220 -24.115 -22.097 258 HA2 GLY 39 HA2 GLY 39 8.781 -25.485 -21.262 259 HA3 GLY 39 HA3 GLY 39 10.301 -26.266 -20.853 260 H ASN 40 H ASN 40 9.628 -22.798 -20.896 261 HA ASN 40 HA ASN 40 10.168 -22.755 -18.000 262 HB2 ASN 40 HB2 ASN 40 10.966 -20.917 -20.222 263 HB3 ASN 40 HB3 ASN 40 10.739 -20.251 -18.607 264 HD21 ASN 40 HD21 ASN 40 11.830 -21.661 -16.860 265 HD22 ASN 40 HD22 ASN 40 13.457 -22.128 -17.205 266 H CYS 41 H CYS 41 9.192 -20.827 -16.871 267 HA CYS 41 HA CYS 41 6.524 -20.227 -17.970 268 HB2 CYS 41 HB2 CYS 41 7.141 -20.581 -15.034 269 HB3 CYS 41 HB3 CYS 41 5.557 -20.422 -15.786 270 H MET 42 H MET 42 6.011 -18.137 -18.095 271 HA MET 42 HA MET 42 7.671 -16.215 -16.601 272 HB2 MET 42 HB2 MET 42 6.470 -15.979 -19.361 273 HB3 MET 42 HB3 MET 42 7.174 -14.624 -18.488 274 HG2 MET 42 HG2 MET 42 8.985 -15.223 -19.692 275 HG3 MET 42 HG3 MET 42 9.223 -16.302 -18.319 276 HE1 MET 42 HE1 MET 42 10.071 -16.292 -21.634 277 HE2 MET 42 HE2 MET 42 10.899 -17.337 -20.480 278 HE3 MET 42 HE3 MET 42 10.155 -18.031 -21.921 279 H CYS 43 H CYS 43 6.573 -14.075 -16.264 280 HA CYS 43 HA CYS 43 4.095 -14.490 -14.937 281 HB2 CYS 43 HB2 CYS 43 5.676 -11.996 -15.568 282 HB3 CYS 43 HB3 CYS 43 4.172 -11.968 -14.653 283 H GLY 44 H GLY 44 2.037 -13.765 -15.442 284 HA2 GLY 44 HA2 GLY 44 1.585 -12.415 -17.981 285 HA3 GLY 44 HA3 GLY 44 0.957 -14.051 -17.861 286 HA PRO 45 HA PRO 45 -1.999 -10.782 -16.067 287 HB2 PRO 45 HB2 PRO 45 -3.817 -10.752 -18.082 288 HB3 PRO 45 HB3 PRO 45 -2.434 -9.654 -18.019 289 HG2 PRO 45 HG2 PRO 45 -2.766 -12.195 -19.567 290 HG3 PRO 45 HG3 PRO 45 -2.067 -10.650 -20.088 291 HD2 PRO 45 HD2 PRO 45 -0.544 -12.764 -19.346 292 HD3 PRO 45 HD3 PRO 45 -0.042 -11.082 -19.075 293 H LYS 46 H LYS 46 -3.731 -11.425 -14.886 294 HA LYS 46 HA LYS 46 -4.389 -14.207 -14.832 295 HB2 LYS 46 HB2 LYS 46 -5.791 -13.667 -12.958 296 HB3 LYS 46 HB3 LYS 46 -4.303 -12.743 -12.809 297 HG2 LYS 46 HG2 LYS 46 -5.667 -10.877 -14.010 298 HG3 LYS 46 HG3 LYS 46 -7.060 -11.804 -13.448 299 HD2 LYS 46 HD2 LYS 46 -5.794 -11.739 -11.156 300 HD3 LYS 46 HD3 LYS 46 -4.986 -10.343 -11.873 301 HE2 LYS 46 HE2 LYS 46 -7.254 -9.398 -12.364 302 HE3 LYS 46 HE3 LYS 46 -7.941 -10.721 -11.423 303 HZ1 LYS 46 HZ1 LYS 46 -7.226 -8.339 -10.412 304 HZ2 LYS 46 HZ2 LYS 46 -5.846 -9.257 -10.080 305 HZ3 LYS 46 HZ3 LYS 46 -7.355 -9.761 -9.505 306 H ALA 47 H ALA 47 -6.440 -15.159 -15.180 307 HA ALA 47 HA ALA 47 -7.976 -13.818 -17.279 308 HB1 ALA 47 HB1 ALA 47 -7.360 -15.945 -17.997 309 HB2 ALA 47 HB2 ALA 47 -7.702 -16.679 -16.430 310 HB3 ALA 47 HB3 ALA 47 -9.029 -16.154 -17.466 Start of MODEL 8 1 H1 SER 1 H SER 1 1.715 1.334 -2.382 2 HA SER 1 HA SER 1 0.142 -0.330 -4.225 3 HB2 SER 1 HB2 SER 1 2.698 1.206 -4.754 4 HB3 SER 1 HB3 SER 1 1.745 0.331 -5.952 5 HG SER 1 HG SER 1 1.204 2.751 -4.659 6 H LYS 2 H LYS 2 1.254 -2.098 -5.318 7 HA LYS 2 HA LYS 2 3.090 -3.465 -3.484 8 HB2 LYS 2 HB2 LYS 2 0.961 -4.596 -4.112 9 HB3 LYS 2 HB3 LYS 2 1.500 -4.611 -5.786 10 HG2 LYS 2 HG2 LYS 2 3.035 -6.256 -5.426 11 HG3 LYS 2 HG3 LYS 2 3.281 -5.812 -3.736 12 HD2 LYS 2 HD2 LYS 2 2.135 -7.852 -3.638 13 HD3 LYS 2 HD3 LYS 2 0.883 -6.636 -3.367 14 HE2 LYS 2 HE2 LYS 2 0.551 -6.770 -5.933 15 HE3 LYS 2 HE3 LYS 2 1.412 -8.301 -5.798 16 HZ1 LYS 2 HZ1 LYS 2 -0.595 -8.150 -3.820 17 HZ2 LYS 2 HZ2 LYS 2 -0.426 -9.271 -5.074 18 HZ3 LYS 2 HZ3 LYS 2 -1.280 -7.834 -5.334 19 H GLU 3 H GLU 3 5.111 -4.049 -4.064 20 HA GLU 3 HA GLU 3 6.141 -2.976 -6.559 21 HB2 GLU 3 HB2 GLU 3 7.433 -4.154 -4.108 22 HB3 GLU 3 HB3 GLU 3 8.355 -3.809 -5.565 23 HG2 GLU 3 HG2 GLU 3 6.698 -1.725 -4.183 24 HG3 GLU 3 HG3 GLU 3 8.375 -2.050 -3.747 25 H CYS 4 H CYS 4 4.995 -4.510 -7.919 26 HA CYS 4 HA CYS 4 6.260 -7.172 -7.962 27 HB2 CYS 4 HB2 CYS 4 4.264 -7.991 -9.098 28 HB3 CYS 4 HB3 CYS 4 3.823 -7.226 -7.575 29 H MET 5 H MET 5 5.934 -8.103 -10.362 30 HA MET 5 HA MET 5 7.103 -6.082 -12.160 31 HB2 MET 5 HB2 MET 5 7.526 -9.058 -12.376 32 HB3 MET 5 HB3 MET 5 8.435 -7.774 -13.162 33 HG2 MET 5 HG2 MET 5 9.311 -7.073 -10.986 34 HG3 MET 5 HG3 MET 5 8.416 -8.380 -10.214 35 HE1 MET 5 HE1 MET 5 8.740 -10.707 -10.454 36 HE2 MET 5 HE2 MET 5 9.038 -11.070 -12.154 37 HE3 MET 5 HE3 MET 5 10.229 -11.521 -10.934 38 H THR 6 H THR 6 6.718 -6.464 -14.487 39 HA THR 6 HA THR 6 3.920 -7.126 -14.919 40 HB THR 6 HB THR 6 4.450 -6.283 -17.284 41 HG1 THR 6 HG1 THR 6 6.372 -5.290 -17.591 42 HG21 THR 6 HG21 THR 6 4.777 -4.412 -14.935 43 HG22 THR 6 HG22 THR 6 3.248 -4.940 -15.637 44 HG23 THR 6 HG23 THR 6 4.350 -3.932 -16.577 45 H ASP 7 H ASP 7 3.552 -8.112 -17.257 46 HA ASP 7 HA ASP 7 4.490 -10.790 -17.120 47 HB2 ASP 7 HB2 ASP 7 3.209 -9.627 -19.573 48 HB3 ASP 7 HB3 ASP 7 3.038 -11.243 -18.894 49 H GLY 8 H GLY 8 5.782 -11.936 -18.619 50 HA2 GLY 8 HA2 GLY 8 7.205 -12.009 -20.554 51 HA3 GLY 8 HA3 GLY 8 7.452 -10.277 -20.387 52 H THR 9 H THR 9 7.741 -10.821 -17.378 53 HA THR 9 HA THR 9 10.615 -11.143 -17.465 54 HB THR 9 HB THR 9 8.783 -10.651 -15.108 55 HG1 THR 9 HG1 THR 9 10.231 -8.960 -16.856 56 HG21 THR 9 HG21 THR 9 11.782 -10.694 -15.372 57 HG22 THR 9 HG22 THR 9 10.772 -11.599 -14.245 58 HG23 THR 9 HG23 THR 9 10.958 -9.855 -14.059 59 H VAL 10 H VAL 10 11.619 -13.022 -17.240 60 HA VAL 10 HA VAL 10 10.416 -15.477 -16.859 61 HB VAL 10 HB VAL 10 13.256 -14.720 -16.157 62 HG11 VAL 10 HG11 VAL 10 13.186 -17.358 -17.017 63 HG12 VAL 10 HG12 VAL 10 13.412 -16.794 -15.359 64 HG13 VAL 10 HG13 VAL 10 11.798 -17.211 -15.938 65 HG21 VAL 10 HG21 VAL 10 12.403 -14.274 -18.519 66 HG22 VAL 10 HG22 VAL 10 13.857 -15.259 -18.363 67 HG23 VAL 10 HG23 VAL 10 12.304 -16.026 -18.689 68 H CYS 11 H CYS 11 9.398 -16.317 -15.174 69 HA CYS 11 HA CYS 11 10.330 -15.613 -12.468 70 HB2 CYS 11 HB2 CYS 11 8.077 -15.579 -11.669 71 HB3 CYS 11 HB3 CYS 11 8.128 -14.566 -13.108 72 H TYR 12 H TYR 12 10.023 -17.236 -10.840 73 HA TYR 12 HA TYR 12 9.527 -19.947 -11.845 74 HB2 TYR 12 HB2 TYR 12 12.042 -18.882 -10.706 75 HB3 TYR 12 HB3 TYR 12 11.527 -20.452 -10.098 76 HD1 TYR 12 HD2 TYR 12 12.686 -18.598 -13.039 77 HD2 TYR 12 HD1 TYR 12 11.495 -22.398 -11.541 78 HE1 TYR 12 HE2 TYR 12 13.625 -19.675 -15.041 79 HE2 TYR 12 HE1 TYR 12 12.433 -23.486 -13.538 80 HH TYR 12 HH TYR 12 14.524 -21.974 -15.642 81 H ILE 13 H ILE 13 8.529 -21.304 -10.426 82 HA ILE 13 HA ILE 13 7.048 -20.225 -8.314 83 HB ILE 13 HB ILE 13 7.759 -23.137 -8.672 84 HG12 ILE 13 HG12 ILE 13 6.870 -22.265 -10.760 85 HG13 ILE 13 HG13 ILE 13 5.657 -23.276 -9.981 86 HG21 ILE 13 HG21 ILE 13 6.737 -22.611 -6.523 87 HG22 ILE 13 HG22 ILE 13 5.404 -21.802 -7.343 88 HG23 ILE 13 HG23 ILE 13 5.631 -23.541 -7.534 89 HD11 ILE 13 HD11 ILE 13 4.254 -21.594 -10.334 90 HD12 ILE 13 HD12 ILE 13 5.091 -20.762 -9.022 91 HD13 ILE 13 HD13 ILE 13 5.564 -20.470 -10.696 92 H HIS 14 H HIS 14 10.267 -21.466 -8.416 93 HA HIS 14 HA HIS 14 10.404 -21.474 -5.477 94 HB2 HIS 14 HB2 HIS 14 11.165 -23.478 -7.020 95 HB3 HIS 14 HB3 HIS 14 12.629 -22.513 -7.181 96 HD1 HIS 14 HD1 HIS 14 14.225 -23.839 -5.782 97 HD2 HIS 14 HD2 HIS 14 10.657 -23.052 -3.805 98 HE1 HIS 14 HE1 HIS 14 14.581 -24.616 -3.418 99 H ASN 15 H ASN 15 10.390 -19.060 -7.088 100 HA ASN 15 HA ASN 15 13.138 -18.093 -6.678 101 HB2 ASN 15 HB2 ASN 15 12.202 -17.884 -8.981 102 HB3 ASN 15 HB3 ASN 15 10.946 -16.832 -8.337 103 HD21 ASN 15 HD21 ASN 15 11.610 -15.117 -9.623 104 HD22 ASN 15 HD22 ASN 15 13.052 -14.225 -9.293 105 H HIS 16 H HIS 16 9.961 -17.924 -5.490 106 HA HIS 16 HA HIS 16 8.996 -16.749 -3.796 107 HB2 HIS 16 HB2 HIS 16 11.294 -17.245 -2.763 108 HB3 HIS 16 HB3 HIS 16 11.702 -15.579 -3.169 109 HD1 HIS 16 HD1 HIS 16 11.954 -15.448 -0.467 110 HD2 HIS 16 HD2 HIS 16 8.100 -15.811 -1.975 111 HE1 HIS 16 HE1 HIS 16 10.431 -14.740 1.404 112 H ASN 17 H ASN 17 9.435 -15.580 -6.497 113 HA ASN 17 HA ASN 17 9.679 -12.732 -5.985 114 HB2 ASN 17 HB2 ASN 17 9.628 -12.449 -8.358 115 HB3 ASN 17 HB3 ASN 17 10.642 -13.852 -8.032 116 HD21 ASN 17 HD21 ASN 17 7.685 -12.706 -9.391 117 HD22 ASN 17 HD22 ASN 17 7.210 -14.188 -10.144 118 H ASP 18 H ASP 18 8.045 -11.212 -6.342 119 HA ASP 18 HA ASP 18 5.321 -12.322 -6.217 120 HB2 ASP 18 HB2 ASP 18 6.598 -9.905 -4.998 121 HB3 ASP 18 HB3 ASP 18 4.869 -9.885 -5.331 122 H CYS 19 H CYS 19 4.421 -12.291 -8.176 123 HA CYS 19 HA CYS 19 4.796 -9.894 -9.847 124 HB2 CYS 19 HB2 CYS 19 4.650 -12.785 -10.478 125 HB3 CYS 19 HB3 CYS 19 3.824 -11.706 -11.597 126 H CYS 20 H CYS 20 3.061 -8.736 -10.452 127 HA CYS 20 HA CYS 20 0.637 -8.914 -9.122 128 HB2 CYS 20 HB2 CYS 20 1.566 -7.503 -11.581 129 HB3 CYS 20 HB3 CYS 20 -0.163 -7.548 -11.255 130 H GLY 21 H GLY 21 1.730 -10.584 -11.958 131 HA2 GLY 21 HA2 GLY 21 -0.990 -11.637 -12.401 132 HA3 GLY 21 HA3 GLY 21 0.291 -11.623 -13.606 133 H SER 22 H SER 22 -0.899 -13.944 -13.381 134 HA SER 22 HA SER 22 0.566 -15.586 -11.454 135 HB2 SER 22 HB2 SER 22 -1.992 -15.813 -12.870 136 HB3 SER 22 HB3 SER 22 -1.060 -17.310 -12.860 137 HG SER 22 HG SER 22 -1.788 -17.532 -10.908 138 H CYS 23 H CYS 23 1.910 -17.270 -12.048 139 HA CYS 23 HA CYS 23 3.352 -16.931 -14.473 140 HB2 CYS 23 HB2 CYS 23 3.458 -18.863 -12.190 141 HB3 CYS 23 HB3 CYS 23 4.340 -19.236 -13.668 142 H LEU 24 H LEU 24 3.048 -17.819 -16.411 143 HA LEU 24 HA LEU 24 1.184 -20.092 -16.621 144 HB2 LEU 24 HB2 LEU 24 1.570 -17.711 -18.413 145 HB3 LEU 24 HB3 LEU 24 0.759 -19.178 -18.959 146 HG LEU 24 HG LEU 24 -0.148 -17.409 -16.688 147 HD11 LEU 24 HD11 LEU 24 -2.109 -17.157 -18.392 148 HD12 LEU 24 HD12 LEU 24 -0.874 -17.581 -19.577 149 HD13 LEU 24 HD13 LEU 24 -0.662 -16.162 -18.550 150 HD21 LEU 24 HD21 LEU 24 -2.140 -19.182 -17.712 151 HD22 LEU 24 HD22 LEU 24 -1.501 -19.055 -16.073 152 HD23 LEU 24 HD23 LEU 24 -0.716 -20.113 -17.248 153 H CYS 25 H CYS 25 2.323 -21.868 -17.030 154 HA CYS 25 HA CYS 25 4.840 -21.759 -18.442 155 HB2 CYS 25 HB2 CYS 25 3.327 -24.215 -17.544 156 HB3 CYS 25 HB3 CYS 25 5.042 -24.097 -17.925 157 H SER 26 H SER 26 5.164 -22.129 -20.540 158 HA SER 26 HA SER 26 2.888 -22.622 -22.249 159 HB2 SER 26 HB2 SER 26 5.001 -21.057 -22.621 160 HB3 SER 26 HB3 SER 26 5.671 -22.526 -23.327 161 HG SER 26 HG SER 26 4.224 -22.450 -24.912 162 H ASN 27 H ASN 27 2.282 -24.527 -23.031 163 HA ASN 27 HA ASN 27 4.171 -26.779 -22.833 164 HB2 ASN 27 HB2 ASN 27 1.988 -26.784 -21.457 165 HB3 ASN 27 HB3 ASN 27 1.179 -27.075 -22.994 166 HD21 ASN 27 HD21 ASN 27 0.574 -29.124 -22.943 167 HD22 ASN 27 HD22 ASN 27 1.598 -30.467 -22.583 168 H GLY 28 H GLY 28 3.885 -24.856 -25.057 169 HA2 GLY 28 HA2 GLY 28 2.449 -25.824 -27.221 170 HA3 GLY 28 HA3 GLY 28 3.960 -24.936 -27.350 171 HA PRO 29 HA PRO 29 4.416 -29.370 -28.888 172 HB2 PRO 29 HB2 PRO 29 4.963 -28.754 -31.475 173 HB3 PRO 29 HB3 PRO 29 3.321 -29.023 -30.878 174 HG2 PRO 29 HG2 PRO 29 4.758 -26.444 -31.370 175 HG3 PRO 29 HG3 PRO 29 3.085 -26.885 -31.761 176 HD2 PRO 29 HD2 PRO 29 3.730 -25.392 -29.596 177 HD3 PRO 29 HD3 PRO 29 2.351 -26.509 -29.609 178 H ILE 30 H ILE 30 6.381 -30.307 -28.866 179 HA ILE 30 HA ILE 30 8.733 -28.592 -29.324 180 HB ILE 30 HB ILE 30 8.523 -30.838 -27.316 181 HG12 ILE 30 HG12 ILE 30 8.785 -27.872 -26.793 182 HG13 ILE 30 HG13 ILE 30 7.250 -28.734 -26.752 183 HG21 ILE 30 HG21 ILE 30 10.751 -30.800 -27.968 184 HG22 ILE 30 HG22 ILE 30 10.760 -29.051 -28.186 185 HG23 ILE 30 HG23 ILE 30 10.734 -29.735 -26.561 186 HD11 ILE 30 HD11 ILE 30 8.648 -30.264 -25.070 187 HD12 ILE 30 HD12 ILE 30 9.475 -28.725 -24.822 188 HD13 ILE 30 HD13 ILE 30 7.736 -28.845 -24.558 189 H ALA 31 H ALA 31 9.771 -29.215 -31.090 190 HA ALA 31 HA ALA 31 9.655 -32.030 -31.909 191 HB1 ALA 31 HB1 ALA 31 8.934 -30.485 -33.605 192 HB2 ALA 31 HB2 ALA 31 10.425 -29.556 -33.450 193 HB3 ALA 31 HB3 ALA 31 10.471 -31.198 -34.096 194 H ARG 32 H ARG 32 11.863 -29.493 -30.956 195 HA ARG 32 HA ARG 32 14.039 -31.473 -30.937 196 HB2 ARG 32 HB2 ARG 32 14.485 -28.563 -31.577 197 HB3 ARG 32 HB3 ARG 32 15.616 -29.899 -31.755 198 HG2 ARG 32 HG2 ARG 32 15.015 -29.705 -33.919 199 HG3 ARG 32 HG3 ARG 32 13.695 -30.755 -33.400 200 HD2 ARG 32 HD2 ARG 32 12.390 -29.174 -34.320 201 HD3 ARG 32 HD3 ARG 32 12.675 -28.318 -32.806 202 HE ARG 32 HE ARG 32 13.815 -26.749 -33.995 203 HH11 ARG 32 HH11 ARG 32 13.818 -29.717 -35.812 204 HH12 ARG 32 HH12 ARG 32 14.622 -29.030 -37.184 205 HH21 ARG 32 HH21 ARG 32 14.874 -25.831 -35.794 206 HH22 ARG 32 HH22 ARG 32 15.224 -26.819 -37.172 207 HA PRO 33 HA PRO 33 13.449 -29.551 -26.755 208 HB2 PRO 33 HB2 PRO 33 13.623 -31.897 -25.398 209 HB3 PRO 33 HB3 PRO 33 12.107 -31.287 -26.073 210 HG2 PRO 33 HG2 PRO 33 13.980 -33.343 -27.179 211 HG3 PRO 33 HG3 PRO 33 12.208 -33.363 -27.115 212 HD2 PRO 33 HD2 PRO 33 13.579 -32.714 -29.359 213 HD3 PRO 33 HD3 PRO 33 12.002 -32.000 -28.963 214 H TRP 34 H TRP 34 15.840 -31.285 -28.414 215 HA TRP 34 HA TRP 34 17.764 -31.257 -26.237 216 HB2 TRP 34 HB2 TRP 34 17.794 -32.262 -29.067 217 HB3 TRP 34 HB3 TRP 34 19.302 -32.066 -28.178 218 HD1 TRP 34 HD1 TRP 34 16.002 -34.058 -28.016 219 HE1 TRP 34 HE1 TRP 34 16.426 -36.206 -26.664 220 HE3 TRP 34 HE3 TRP 34 20.802 -33.139 -26.516 221 HZ2 TRP 34 HZ2 TRP 34 18.518 -37.359 -25.160 222 HZ3 TRP 34 HZ3 TRP 34 21.944 -34.815 -25.123 223 HH2 TRP 34 HH2 TRP 34 20.823 -36.881 -24.459 224 H GLU 35 H GLU 35 16.934 -29.394 -29.060 225 HA GLU 35 HA GLU 35 19.324 -27.726 -28.709 226 HB2 GLU 35 HB2 GLU 35 17.350 -27.957 -30.980 227 HB3 GLU 35 HB3 GLU 35 18.596 -26.719 -30.909 228 HG2 GLU 35 HG2 GLU 35 19.534 -28.355 -32.249 229 HG3 GLU 35 HG3 GLU 35 20.242 -28.668 -30.665 230 H MET 36 H MET 36 15.817 -27.661 -28.658 231 HA MET 36 HA MET 36 15.951 -24.989 -27.441 232 HB2 MET 36 HB2 MET 36 13.923 -25.926 -29.477 233 HB3 MET 36 HB3 MET 36 13.828 -24.411 -28.590 234 HG2 MET 36 HG2 MET 36 16.224 -25.061 -30.256 235 HG3 MET 36 HG3 MET 36 14.761 -24.402 -30.985 236 HE1 MET 36 HE1 MET 36 16.182 -22.464 -31.935 237 HE2 MET 36 HE2 MET 36 14.609 -21.870 -31.401 238 HE3 MET 36 HE3 MET 36 16.066 -20.935 -31.061 239 H MET 37 H MET 37 15.588 -25.576 -25.361 240 HA MET 37 HA MET 37 13.548 -27.510 -24.687 241 HB2 MET 37 HB2 MET 37 15.640 -26.000 -23.202 242 HB3 MET 37 HB3 MET 37 14.246 -26.571 -22.293 243 HG2 MET 37 HG2 MET 37 14.743 -28.853 -23.353 244 HG3 MET 37 HG3 MET 37 16.313 -28.163 -23.756 245 HE1 MET 37 HE1 MET 37 14.637 -28.871 -19.546 246 HE2 MET 37 HE2 MET 37 13.730 -28.366 -20.971 247 HE3 MET 37 HE3 MET 37 14.335 -30.019 -20.850 248 H VAL 38 H VAL 38 11.501 -26.840 -24.921 249 HA VAL 38 HA VAL 38 10.768 -24.111 -24.183 250 HB VAL 38 HB VAL 38 8.992 -26.247 -25.365 251 HG11 VAL 38 HG11 VAL 38 8.203 -23.667 -26.135 252 HG12 VAL 38 HG12 VAL 38 7.379 -24.759 -25.019 253 HG13 VAL 38 HG13 VAL 38 8.541 -23.580 -24.406 254 HG21 VAL 38 HG21 VAL 38 10.980 -24.438 -26.613 255 HG22 VAL 38 HG22 VAL 38 10.442 -26.044 -27.106 256 HG23 VAL 38 HG23 VAL 38 9.434 -24.635 -27.441 257 H GLY 39 H GLY 39 11.285 -24.771 -21.879 258 HA2 GLY 39 HA2 GLY 39 8.785 -25.681 -20.626 259 HA3 GLY 39 HA3 GLY 39 10.300 -26.435 -20.152 260 H ASN 40 H ASN 40 9.535 -23.033 -20.835 261 HA ASN 40 HA ASN 40 10.465 -22.390 -18.115 262 HB2 ASN 40 HB2 ASN 40 10.616 -20.753 -20.654 263 HB3 ASN 40 HB3 ASN 40 11.042 -20.142 -19.059 264 HD21 ASN 40 HD21 ASN 40 13.171 -19.790 -19.467 265 HD22 ASN 40 HD22 ASN 40 14.307 -21.055 -19.777 266 H CYS 41 H CYS 41 9.353 -20.832 -16.913 267 HA CYS 41 HA CYS 41 6.666 -20.166 -17.928 268 HB2 CYS 41 HB2 CYS 41 7.413 -20.654 -15.040 269 HB3 CYS 41 HB3 CYS 41 5.797 -20.391 -15.686 270 H MET 42 H MET 42 6.028 -18.087 -17.822 271 HA MET 42 HA MET 42 7.744 -16.201 -16.347 272 HB2 MET 42 HB2 MET 42 6.625 -15.984 -19.132 273 HB3 MET 42 HB3 MET 42 7.097 -14.557 -18.219 274 HG2 MET 42 HG2 MET 42 9.299 -14.970 -18.443 275 HG3 MET 42 HG3 MET 42 9.092 -16.717 -18.354 276 HE1 MET 42 HE1 MET 42 8.402 -18.147 -19.907 277 HE2 MET 42 HE2 MET 42 7.546 -17.716 -21.387 278 HE3 MET 42 HE3 MET 42 9.266 -18.101 -21.444 279 H CYS 43 H CYS 43 6.546 -13.972 -16.223 280 HA CYS 43 HA CYS 43 4.103 -14.470 -14.796 281 HB2 CYS 43 HB2 CYS 43 5.678 -11.966 -15.392 282 HB3 CYS 43 HB3 CYS 43 4.151 -11.936 -14.515 283 H GLY 44 H GLY 44 2.043 -13.662 -15.266 284 HA2 GLY 44 HA2 GLY 44 1.516 -12.225 -17.697 285 HA3 GLY 44 HA3 GLY 44 1.074 -13.922 -17.807 286 HA PRO 45 HA PRO 45 -2.285 -11.249 -15.752 287 HB2 PRO 45 HB2 PRO 45 -4.034 -11.160 -17.827 288 HB3 PRO 45 HB3 PRO 45 -2.787 -9.935 -17.569 289 HG2 PRO 45 HG2 PRO 45 -2.783 -12.279 -19.431 290 HG3 PRO 45 HG3 PRO 45 -2.248 -10.615 -19.727 291 HD2 PRO 45 HD2 PRO 45 -0.519 -12.626 -19.185 292 HD3 PRO 45 HD3 PRO 45 -0.219 -10.949 -18.687 293 H LYS 46 H LYS 46 -3.789 -12.323 -14.624 294 HA LYS 46 HA LYS 46 -4.216 -15.110 -15.076 295 HB2 LYS 46 HB2 LYS 46 -5.574 -15.052 -13.092 296 HB3 LYS 46 HB3 LYS 46 -4.154 -14.051 -12.818 297 HG2 LYS 46 HG2 LYS 46 -5.497 -12.048 -13.299 298 HG3 LYS 46 HG3 LYS 46 -6.920 -13.074 -13.502 299 HD2 LYS 46 HD2 LYS 46 -6.543 -13.896 -11.161 300 HD3 LYS 46 HD3 LYS 46 -5.297 -12.657 -10.996 301 HE2 LYS 46 HE2 LYS 46 -8.097 -11.984 -11.847 302 HE3 LYS 46 HE3 LYS 46 -7.653 -12.114 -10.146 303 HZ1 LYS 46 HZ1 LYS 46 -7.106 -9.975 -10.349 304 HZ2 LYS 46 HZ2 LYS 46 -7.067 -10.029 -12.039 305 HZ3 LYS 46 HZ3 LYS 46 -5.717 -10.521 -11.146 306 H ALA 47 H ALA 47 -6.084 -16.179 -15.704 307 HA ALA 47 HA ALA 47 -7.850 -14.629 -17.421 308 HB1 ALA 47 HB1 ALA 47 -8.687 -17.234 -17.610 309 HB2 ALA 47 HB2 ALA 47 -7.504 -16.455 -18.662 310 HB3 ALA 47 HB3 ALA 47 -6.964 -17.403 -17.277 Start of MODEL 9 1 H1 SER 1 H SER 1 -1.064 1.208 -3.140 2 HA SER 1 HA SER 1 0.142 0.247 -5.437 3 HB2 SER 1 HB2 SER 1 1.218 1.735 -3.056 4 HB3 SER 1 HB3 SER 1 2.284 1.255 -4.377 5 HG SER 1 HG SER 1 1.068 2.490 -5.780 6 H LYS 2 H LYS 2 1.851 -1.158 -5.857 7 HA LYS 2 HA LYS 2 2.870 -2.824 -3.702 8 HB2 LYS 2 HB2 LYS 2 0.800 -3.954 -4.457 9 HB3 LYS 2 HB3 LYS 2 1.450 -4.018 -6.090 10 HG2 LYS 2 HG2 LYS 2 3.047 -5.605 -5.530 11 HG3 LYS 2 HG3 LYS 2 2.947 -5.239 -3.806 12 HD2 LYS 2 HD2 LYS 2 0.494 -6.067 -4.041 13 HD3 LYS 2 HD3 LYS 2 1.081 -6.836 -5.518 14 HE2 LYS 2 HE2 LYS 2 1.338 -8.490 -3.899 15 HE3 LYS 2 HE3 LYS 2 2.950 -7.788 -4.032 16 HZ1 LYS 2 HZ1 LYS 2 1.923 -8.184 -1.712 17 HZ2 LYS 2 HZ2 LYS 2 1.068 -6.757 -2.019 18 HZ3 LYS 2 HZ3 LYS 2 2.759 -6.743 -2.007 19 H GLU 3 H GLU 3 4.743 -4.045 -4.290 20 HA GLU 3 HA GLU 3 6.116 -2.921 -6.633 21 HB2 GLU 3 HB2 GLU 3 7.306 -4.286 -4.212 22 HB3 GLU 3 HB3 GLU 3 8.200 -3.505 -5.510 23 HG2 GLU 3 HG2 GLU 3 7.204 -1.354 -4.888 24 HG3 GLU 3 HG3 GLU 3 6.346 -2.146 -3.566 25 H CYS 4 H CYS 4 5.230 -4.364 -8.155 26 HA CYS 4 HA CYS 4 6.367 -7.074 -8.009 27 HB2 CYS 4 HB2 CYS 4 4.348 -7.926 -9.161 28 HB3 CYS 4 HB3 CYS 4 3.985 -7.262 -7.572 29 H MET 5 H MET 5 5.858 -8.066 -10.416 30 HA MET 5 HA MET 5 6.982 -6.096 -12.300 31 HB2 MET 5 HB2 MET 5 7.510 -9.066 -12.366 32 HB3 MET 5 HB3 MET 5 8.318 -7.811 -13.294 33 HG2 MET 5 HG2 MET 5 9.308 -6.924 -11.256 34 HG3 MET 5 HG3 MET 5 8.475 -8.154 -10.308 35 HE1 MET 5 HE1 MET 5 8.820 -10.764 -12.289 36 HE2 MET 5 HE2 MET 5 10.198 -11.442 -11.422 37 HE3 MET 5 HE3 MET 5 8.876 -10.687 -10.528 38 H THR 6 H THR 6 6.516 -6.524 -14.582 39 HA THR 6 HA THR 6 3.756 -7.412 -14.900 40 HB THR 6 HB THR 6 3.730 -6.261 -16.985 41 HG1 THR 6 HG1 THR 6 6.534 -6.402 -16.739 42 HG21 THR 6 HG21 THR 6 3.660 -4.242 -16.034 43 HG22 THR 6 HG22 THR 6 5.406 -4.227 -15.789 44 HG23 THR 6 HG23 THR 6 4.353 -4.981 -14.592 45 H ASP 7 H ASP 7 3.382 -8.375 -17.246 46 HA ASP 7 HA ASP 7 4.531 -10.960 -17.221 47 HB2 ASP 7 HB2 ASP 7 3.215 -11.397 -19.177 48 HB3 ASP 7 HB3 ASP 7 2.256 -10.373 -18.113 49 H GLY 8 H GLY 8 5.899 -11.966 -18.755 50 HA2 GLY 8 HA2 GLY 8 7.308 -11.850 -20.711 51 HA3 GLY 8 HA3 GLY 8 7.476 -10.124 -20.430 52 H THR 9 H THR 9 7.782 -10.856 -17.460 53 HA THR 9 HA THR 9 10.675 -11.154 -17.594 54 HB THR 9 HB THR 9 8.884 -10.543 -15.233 55 HG1 THR 9 HG1 THR 9 10.657 -8.814 -16.639 56 HG21 THR 9 HG21 THR 9 10.931 -11.608 -14.491 57 HG22 THR 9 HG22 THR 9 10.992 -9.886 -14.115 58 HG23 THR 9 HG23 THR 9 11.893 -10.519 -15.491 59 H VAL 10 H VAL 10 11.675 -13.021 -17.248 60 HA VAL 10 HA VAL 10 10.437 -15.453 -16.841 61 HB VAL 10 HB VAL 10 13.261 -14.705 -16.067 62 HG11 VAL 10 HG11 VAL 10 13.464 -17.274 -16.702 63 HG12 VAL 10 HG12 VAL 10 13.077 -16.743 -15.063 64 HG13 VAL 10 HG13 VAL 10 11.791 -17.283 -16.144 65 HG21 VAL 10 HG21 VAL 10 13.914 -15.413 -18.245 66 HG22 VAL 10 HG22 VAL 10 12.293 -16.001 -18.608 67 HG23 VAL 10 HG23 VAL 10 12.586 -14.270 -18.445 68 H CYS 11 H CYS 11 9.518 -16.409 -15.153 69 HA CYS 11 HA CYS 11 10.311 -15.576 -12.445 70 HB2 CYS 11 HB2 CYS 11 8.037 -15.542 -11.708 71 HB3 CYS 11 HB3 CYS 11 8.118 -14.562 -13.168 72 H TYR 12 H TYR 12 9.973 -17.164 -10.790 73 HA TYR 12 HA TYR 12 9.518 -19.900 -11.743 74 HB2 TYR 12 HB2 TYR 12 11.998 -18.800 -10.542 75 HB3 TYR 12 HB3 TYR 12 11.482 -20.382 -9.970 76 HD1 TYR 12 HD1 TYR 12 11.125 -22.222 -11.683 77 HD2 TYR 12 HD2 TYR 12 13.094 -18.565 -12.608 78 HE1 TYR 12 HE1 TYR 12 12.131 -23.273 -13.666 79 HE2 TYR 12 HE2 TYR 12 14.104 -19.605 -14.596 80 HH TYR 12 HH TYR 12 13.063 -22.247 -16.019 81 H ILE 13 H ILE 13 8.618 -21.292 -10.252 82 HA ILE 13 HA ILE 13 7.085 -20.129 -8.179 83 HB ILE 13 HB ILE 13 7.697 -23.066 -8.497 84 HG12 ILE 13 HG12 ILE 13 6.941 -22.202 -10.642 85 HG13 ILE 13 HG13 ILE 13 5.659 -23.156 -9.905 86 HG21 ILE 13 HG21 ILE 13 6.592 -22.426 -6.408 87 HG22 ILE 13 HG22 ILE 13 5.317 -21.629 -7.328 88 HG23 ILE 13 HG23 ILE 13 5.523 -23.377 -7.440 89 HD11 ILE 13 HD11 ILE 13 4.770 -21.152 -10.927 90 HD12 ILE 13 HD12 ILE 13 4.561 -21.098 -9.177 91 HD13 ILE 13 HD13 ILE 13 5.838 -20.153 -9.941 92 H HIS 14 H HIS 14 10.262 -21.472 -8.281 93 HA HIS 14 HA HIS 14 10.392 -21.488 -5.342 94 HB2 HIS 14 HB2 HIS 14 11.074 -23.525 -6.891 95 HB3 HIS 14 HB3 HIS 14 12.581 -22.625 -7.028 96 HD1 HIS 14 HD1 HIS 14 14.111 -23.996 -5.606 97 HD2 HIS 14 HD2 HIS 14 10.531 -23.118 -3.689 98 HE1 HIS 14 HE1 HIS 14 14.397 -24.806 -3.242 99 H ASN 15 H ASN 15 10.467 -19.068 -6.896 100 HA ASN 15 HA ASN 15 13.250 -18.213 -6.450 101 HB2 ASN 15 HB2 ASN 15 12.550 -18.010 -8.792 102 HB3 ASN 15 HB3 ASN 15 11.173 -17.026 -8.304 103 HD21 ASN 15 HD21 ASN 15 14.539 -16.970 -7.220 104 HD22 ASN 15 HD22 ASN 15 14.842 -15.333 -7.683 105 H HIS 16 H HIS 16 10.094 -17.963 -5.321 106 HA HIS 16 HA HIS 16 9.111 -16.710 -3.696 107 HB2 HIS 16 HB2 HIS 16 11.484 -17.097 -2.696 108 HB3 HIS 16 HB3 HIS 16 11.745 -15.402 -3.094 109 HD1 HIS 16 HD1 HIS 16 8.746 -17.134 -1.510 110 HD2 HIS 16 HD2 HIS 16 11.450 -14.069 -0.765 111 HE1 HIS 16 HE1 HIS 16 8.003 -16.093 0.656 112 H ASN 17 H ASN 17 9.451 -15.696 -6.439 113 HA ASN 17 HA ASN 17 9.704 -12.819 -6.105 114 HB2 ASN 17 HB2 ASN 17 9.766 -12.667 -8.438 115 HB3 ASN 17 HB3 ASN 17 10.557 -14.208 -8.119 116 HD21 ASN 17 HD21 ASN 17 9.428 -16.136 -8.534 117 HD22 ASN 17 HD22 ASN 17 8.080 -16.170 -9.614 118 H ASP 18 H ASP 18 8.058 -11.347 -6.309 119 HA ASP 18 HA ASP 18 5.339 -12.466 -6.211 120 HB2 ASP 18 HB2 ASP 18 6.163 -9.715 -5.285 121 HB3 ASP 18 HB3 ASP 18 4.679 -10.587 -4.907 122 H CYS 19 H CYS 19 4.427 -12.390 -8.162 123 HA CYS 19 HA CYS 19 4.785 -9.953 -9.777 124 HB2 CYS 19 HB2 CYS 19 4.652 -12.828 -10.475 125 HB3 CYS 19 HB3 CYS 19 3.802 -11.732 -11.561 126 H CYS 20 H CYS 20 3.044 -8.781 -10.333 127 HA CYS 20 HA CYS 20 0.627 -9.007 -8.997 128 HB2 CYS 20 HB2 CYS 20 1.535 -7.519 -11.421 129 HB3 CYS 20 HB3 CYS 20 -0.189 -7.570 -11.069 130 H GLY 21 H GLY 21 1.712 -10.582 -11.890 131 HA2 GLY 21 HA2 GLY 21 -1.008 -11.612 -12.373 132 HA3 GLY 21 HA3 GLY 21 0.285 -11.582 -13.563 133 H SER 22 H SER 22 -0.929 -13.896 -13.404 134 HA SER 22 HA SER 22 0.503 -15.596 -11.499 135 HB2 SER 22 HB2 SER 22 -2.048 -15.759 -12.926 136 HB3 SER 22 HB3 SER 22 -1.130 -17.264 -12.976 137 HG SER 22 HG SER 22 -2.557 -16.976 -11.118 138 H CYS 23 H CYS 23 1.872 -17.241 -12.109 139 HA CYS 23 HA CYS 23 3.309 -16.873 -14.533 140 HB2 CYS 23 HB2 CYS 23 3.432 -18.819 -12.263 141 HB3 CYS 23 HB3 CYS 23 4.316 -19.176 -13.744 142 H LEU 24 H LEU 24 3.023 -17.761 -16.475 143 HA LEU 24 HA LEU 24 1.160 -20.033 -16.701 144 HB2 LEU 24 HB2 LEU 24 1.574 -17.658 -18.496 145 HB3 LEU 24 HB3 LEU 24 0.755 -19.122 -19.042 146 HG LEU 24 HG LEU 24 -0.154 -17.330 -16.790 147 HD11 LEU 24 HD11 LEU 24 -2.109 -17.102 -18.510 148 HD12 LEU 24 HD12 LEU 24 -0.860 -17.526 -19.679 149 HD13 LEU 24 HD13 LEU 24 -0.665 -16.101 -18.659 150 HD21 LEU 24 HD21 LEU 24 -2.156 -19.098 -17.788 151 HD22 LEU 24 HD22 LEU 24 -1.501 -18.973 -16.155 152 HD23 LEU 24 HD23 LEU 24 -0.735 -20.040 -17.333 153 H CYS 25 H CYS 25 2.293 -21.814 -17.104 154 HA CYS 25 HA CYS 25 4.827 -21.715 -18.487 155 HB2 CYS 25 HB2 CYS 25 3.284 -24.155 -17.590 156 HB3 CYS 25 HB3 CYS 25 4.997 -24.066 -17.984 157 H SER 26 H SER 26 5.171 -22.083 -20.582 158 HA SER 26 HA SER 26 2.906 -22.592 -22.308 159 HB2 SER 26 HB2 SER 26 4.170 -21.707 -24.002 160 HB3 SER 26 HB3 SER 26 5.032 -20.997 -22.637 161 HG SER 26 HG SER 26 5.836 -22.934 -24.421 162 H ASN 27 H ASN 27 2.486 -24.416 -23.433 163 HA ASN 27 HA ASN 27 4.377 -26.656 -23.136 164 HB2 ASN 27 HB2 ASN 27 1.363 -26.661 -22.955 165 HB3 ASN 27 HB3 ASN 27 2.303 -28.130 -23.200 166 HD21 ASN 27 HD21 ASN 27 1.419 -28.878 -21.213 167 HD22 ASN 27 HD22 ASN 27 2.083 -28.351 -19.708 168 H GLY 28 H GLY 28 4.059 -24.687 -25.314 169 HA2 GLY 28 HA2 GLY 28 2.673 -25.613 -27.519 170 HA3 GLY 28 HA3 GLY 28 4.185 -24.723 -27.608 171 HA PRO 29 HA PRO 29 4.626 -29.165 -29.182 172 HB2 PRO 29 HB2 PRO 29 5.036 -28.562 -31.797 173 HB3 PRO 29 HB3 PRO 29 3.431 -28.864 -31.121 174 HG2 PRO 29 HG2 PRO 29 4.781 -26.257 -31.704 175 HG3 PRO 29 HG3 PRO 29 3.103 -26.741 -32.011 176 HD2 PRO 29 HD2 PRO 29 3.813 -25.211 -29.893 177 HD3 PRO 29 HD3 PRO 29 2.461 -26.360 -29.831 178 H ILE 30 H ILE 30 6.613 -30.021 -29.126 179 HA ILE 30 HA ILE 30 8.899 -28.288 -29.807 180 HB ILE 30 HB ILE 30 10.196 -29.615 -28.098 181 HG12 ILE 30 HG12 ILE 30 7.849 -30.241 -26.505 182 HG13 ILE 30 HG13 ILE 30 7.855 -31.136 -28.021 183 HG21 ILE 30 HG21 ILE 30 8.011 -27.694 -27.436 184 HG22 ILE 30 HG22 ILE 30 8.979 -28.392 -26.138 185 HG23 ILE 30 HG23 ILE 30 9.760 -27.461 -27.416 186 HD11 ILE 30 HD11 ILE 30 9.277 -32.573 -27.138 187 HD12 ILE 30 HD12 ILE 30 10.461 -31.280 -26.948 188 HD13 ILE 30 HD13 ILE 30 9.326 -31.635 -25.646 189 H ALA 31 H ALA 31 9.970 -29.017 -31.510 190 HA ALA 31 HA ALA 31 9.872 -31.887 -32.134 191 HB1 ALA 31 HB1 ALA 31 9.865 -29.452 -33.755 192 HB2 ALA 31 HB2 ALA 31 10.956 -30.707 -34.343 193 HB3 ALA 31 HB3 ALA 31 9.243 -31.063 -34.119 194 H ARG 32 H ARG 32 12.016 -29.233 -31.421 195 HA ARG 32 HA ARG 32 14.276 -31.119 -31.450 196 HB2 ARG 32 HB2 ARG 32 14.553 -28.192 -32.117 197 HB3 ARG 32 HB3 ARG 32 15.744 -29.469 -32.328 198 HG2 ARG 32 HG2 ARG 32 15.050 -29.294 -34.472 199 HG3 ARG 32 HG3 ARG 32 13.838 -30.444 -33.905 200 HD2 ARG 32 HD2 ARG 32 12.181 -28.815 -33.766 201 HD3 ARG 32 HD3 ARG 32 13.349 -27.495 -33.736 202 HE ARG 32 HE ARG 32 13.730 -28.591 -36.176 203 HH11 ARG 32 HH11 ARG 32 10.903 -27.478 -34.475 204 HH12 ARG 32 HH12 ARG 32 10.057 -27.019 -35.917 205 HH21 ARG 32 HH21 ARG 32 12.628 -27.990 -38.080 206 HH22 ARG 32 HH22 ARG 32 11.039 -27.311 -37.966 207 HA PRO 33 HA PRO 33 13.753 -29.197 -27.255 208 HB2 PRO 33 HB2 PRO 33 14.055 -31.526 -25.894 209 HB3 PRO 33 HB3 PRO 33 12.497 -30.974 -26.518 210 HG2 PRO 33 HG2 PRO 33 14.401 -32.971 -27.678 211 HG3 PRO 33 HG3 PRO 33 12.634 -33.051 -27.553 212 HD2 PRO 33 HD2 PRO 33 13.902 -32.370 -29.845 213 HD3 PRO 33 HD3 PRO 33 12.316 -31.708 -29.399 214 H TRP 34 H TRP 34 16.126 -31.058 -28.897 215 HA TRP 34 HA TRP 34 18.122 -31.001 -26.846 216 HB2 TRP 34 HB2 TRP 34 18.105 -31.700 -29.764 217 HB3 TRP 34 HB3 TRP 34 19.635 -31.515 -28.911 218 HD1 TRP 34 HD1 TRP 34 16.368 -33.582 -28.565 219 HE1 TRP 34 HE1 TRP 34 16.984 -35.872 -27.567 220 HE3 TRP 34 HE3 TRP 34 21.365 -32.817 -27.809 221 HZ2 TRP 34 HZ2 TRP 34 19.286 -37.181 -26.588 222 HZ3 TRP 34 HZ3 TRP 34 22.703 -34.639 -26.837 223 HH2 TRP 34 HH2 TRP 34 21.683 -36.775 -26.239 224 H GLU 35 H GLU 35 17.201 -28.925 -29.508 225 HA GLU 35 HA GLU 35 19.476 -27.157 -28.929 226 HB2 GLU 35 HB2 GLU 35 17.579 -27.021 -31.276 227 HB3 GLU 35 HB3 GLU 35 19.086 -26.138 -31.079 228 HG2 GLU 35 HG2 GLU 35 18.790 -29.112 -31.425 229 HG3 GLU 35 HG3 GLU 35 19.374 -27.964 -32.630 230 H MET 36 H MET 36 15.966 -27.278 -29.119 231 HA MET 36 HA MET 36 15.869 -24.741 -27.637 232 HB2 MET 36 HB2 MET 36 13.705 -24.281 -28.920 233 HB3 MET 36 HB3 MET 36 15.217 -24.050 -29.789 234 HG2 MET 36 HG2 MET 36 14.933 -26.293 -30.789 235 HG3 MET 36 HG3 MET 36 13.366 -26.411 -29.994 236 HE1 MET 36 HE1 MET 36 11.800 -24.033 -30.181 237 HE2 MET 36 HE2 MET 36 11.157 -23.883 -31.816 238 HE3 MET 36 HE3 MET 36 11.158 -25.452 -31.009 239 H MET 37 H MET 37 15.539 -25.864 -25.707 240 HA MET 37 HA MET 37 13.282 -27.683 -25.500 241 HB2 MET 37 HB2 MET 37 15.559 -27.958 -24.324 242 HB3 MET 37 HB3 MET 37 14.982 -26.727 -23.209 243 HG2 MET 37 HG2 MET 37 13.299 -29.127 -23.753 244 HG3 MET 37 HG3 MET 37 14.680 -29.253 -22.665 245 HE1 MET 37 HE1 MET 37 10.711 -28.477 -21.232 246 HE2 MET 37 HE2 MET 37 10.954 -28.293 -22.968 247 HE3 MET 37 HE3 MET 37 11.525 -29.747 -22.147 248 H VAL 38 H VAL 38 11.345 -26.722 -25.459 249 HA VAL 38 HA VAL 38 10.972 -24.160 -24.150 250 HB VAL 38 HB VAL 38 8.881 -25.905 -25.452 251 HG11 VAL 38 HG11 VAL 38 8.511 -23.754 -23.844 252 HG12 VAL 38 HG12 VAL 38 8.602 -22.982 -25.429 253 HG13 VAL 38 HG13 VAL 38 7.405 -24.242 -25.127 254 HG21 VAL 38 HG21 VAL 38 10.224 -25.517 -27.260 255 HG22 VAL 38 HG22 VAL 38 9.254 -24.044 -27.291 256 HG23 VAL 38 HG23 VAL 38 10.876 -24.019 -26.596 257 H GLY 39 H GLY 39 10.995 -24.314 -21.972 258 HA2 GLY 39 HA2 GLY 39 8.787 -25.678 -20.703 259 HA3 GLY 39 HA3 GLY 39 10.360 -26.356 -20.308 260 H ASN 40 H ASN 40 9.660 -22.948 -20.881 261 HA ASN 40 HA ASN 40 10.426 -22.417 -18.088 262 HB2 ASN 40 HB2 ASN 40 10.851 -20.040 -19.135 263 HB3 ASN 40 HB3 ASN 40 12.048 -21.319 -19.315 264 HD21 ASN 40 HD21 ASN 40 9.129 -20.111 -20.934 265 HD22 ASN 40 HD22 ASN 40 9.748 -20.274 -22.539 266 H CYS 41 H CYS 41 9.307 -20.818 -16.914 267 HA CYS 41 HA CYS 41 6.663 -20.121 -18.016 268 HB2 CYS 41 HB2 CYS 41 7.267 -20.597 -15.096 269 HB3 CYS 41 HB3 CYS 41 5.687 -20.400 -15.847 270 H MET 42 H MET 42 6.028 -18.039 -17.891 271 HA MET 42 HA MET 42 7.733 -16.183 -16.364 272 HB2 MET 42 HB2 MET 42 6.652 -15.937 -19.160 273 HB3 MET 42 HB3 MET 42 7.086 -14.512 -18.225 274 HG2 MET 42 HG2 MET 42 9.301 -14.903 -18.392 275 HG3 MET 42 HG3 MET 42 9.107 -16.655 -18.364 276 HE1 MET 42 HE1 MET 42 8.296 -17.651 -21.901 277 HE2 MET 42 HE2 MET 42 9.599 -18.059 -20.786 278 HE3 MET 42 HE3 MET 42 7.943 -17.913 -20.193 279 H CYS 43 H CYS 43 6.546 -13.952 -16.212 280 HA CYS 43 HA CYS 43 4.097 -14.455 -14.804 281 HB2 CYS 43 HB2 CYS 43 5.675 -11.950 -15.380 282 HB3 CYS 43 HB3 CYS 43 4.146 -11.922 -14.510 283 H GLY 44 H GLY 44 2.039 -13.629 -15.269 284 HA2 GLY 44 HA2 GLY 44 1.528 -12.194 -17.710 285 HA3 GLY 44 HA3 GLY 44 1.059 -13.886 -17.802 286 HA PRO 45 HA PRO 45 -2.251 -11.142 -15.763 287 HB2 PRO 45 HB2 PRO 45 -4.006 -11.047 -17.832 288 HB3 PRO 45 HB3 PRO 45 -2.739 -9.838 -17.591 289 HG2 PRO 45 HG2 PRO 45 -2.778 -12.200 -19.430 290 HG3 PRO 45 HG3 PRO 45 -2.218 -10.547 -19.744 291 HD2 PRO 45 HD2 PRO 45 -0.518 -12.580 -19.188 292 HD3 PRO 45 HD3 PRO 45 -0.190 -10.902 -18.708 293 H LYS 46 H LYS 46 -3.818 -12.152 -14.649 294 HA LYS 46 HA LYS 46 -4.259 -14.946 -15.023 295 HB2 LYS 46 HB2 LYS 46 -5.731 -14.781 -13.099 296 HB3 LYS 46 HB3 LYS 46 -4.253 -13.878 -12.796 297 HG2 LYS 46 HG2 LYS 46 -5.554 -11.821 -13.555 298 HG3 LYS 46 HG3 LYS 46 -6.997 -12.826 -13.394 299 HD2 LYS 46 HD2 LYS 46 -6.722 -13.059 -11.089 300 HD3 LYS 46 HD3 LYS 46 -5.020 -12.593 -11.151 301 HE2 LYS 46 HE2 LYS 46 -6.527 -10.852 -10.193 302 HE3 LYS 46 HE3 LYS 46 -5.590 -10.313 -11.587 303 HZ1 LYS 46 HZ1 LYS 46 -7.439 -10.259 -12.922 304 HZ2 LYS 46 HZ2 LYS 46 -8.108 -9.788 -11.442 305 HZ3 LYS 46 HZ3 LYS 46 -8.302 -11.377 -11.990 306 H ALA 47 H ALA 47 -6.133 -16.020 -15.646 307 HA ALA 47 HA ALA 47 -8.398 -14.484 -16.624 308 HB1 ALA 47 HB1 ALA 47 -8.200 -14.902 -18.842 309 HB2 ALA 47 HB2 ALA 47 -6.482 -14.914 -18.435 310 HB3 ALA 47 HB3 ALA 47 -7.362 -16.435 -18.592 Start of MODEL 10 1 H1 SER 1 H SER 1 6.717 -1.869 1.893 2 HA SER 1 HA SER 1 5.504 -0.530 -0.435 3 HB2 SER 1 HB2 SER 1 7.708 0.705 -0.567 4 HB3 SER 1 HB3 SER 1 6.728 1.076 0.852 5 HG SER 1 HG SER 1 8.589 0.654 1.795 6 H LYS 2 H LYS 2 5.531 -1.876 -2.114 7 HA LYS 2 HA LYS 2 8.060 -2.916 -3.049 8 HB2 LYS 2 HB2 LYS 2 7.285 -4.694 -1.524 9 HB3 LYS 2 HB3 LYS 2 5.781 -4.805 -2.429 10 HG2 LYS 2 HG2 LYS 2 6.778 -5.827 -4.231 11 HG3 LYS 2 HG3 LYS 2 8.374 -5.174 -3.853 12 HD2 LYS 2 HD2 LYS 2 8.521 -6.660 -1.912 13 HD3 LYS 2 HD3 LYS 2 6.923 -7.309 -2.286 14 HE2 LYS 2 HE2 LYS 2 8.665 -8.804 -3.087 15 HE3 LYS 2 HE3 LYS 2 7.764 -8.120 -4.440 16 HZ1 LYS 2 HZ1 LYS 2 9.584 -7.144 -5.231 17 HZ2 LYS 2 HZ2 LYS 2 10.467 -8.125 -4.173 18 HZ3 LYS 2 HZ3 LYS 2 10.051 -6.549 -3.718 19 H GLU 3 H GLU 3 8.030 -3.511 -5.250 20 HA GLU 3 HA GLU 3 5.539 -2.860 -6.680 21 HB2 GLU 3 HB2 GLU 3 7.085 -1.968 -8.510 22 HB3 GLU 3 HB3 GLU 3 6.889 -0.976 -7.073 23 HG2 GLU 3 HG2 GLU 3 9.012 -1.799 -6.205 24 HG3 GLU 3 HG3 GLU 3 9.208 -2.812 -7.635 25 H CYS 4 H CYS 4 4.835 -4.739 -7.463 26 HA CYS 4 HA CYS 4 6.440 -6.976 -8.031 27 HB2 CYS 4 HB2 CYS 4 4.433 -7.886 -9.146 28 HB3 CYS 4 HB3 CYS 4 4.057 -7.191 -7.573 29 H MET 5 H MET 5 5.886 -7.981 -10.443 30 HA MET 5 HA MET 5 7.024 -6.018 -12.325 31 HB2 MET 5 HB2 MET 5 7.460 -9.005 -12.391 32 HB3 MET 5 HB3 MET 5 8.263 -7.791 -13.376 33 HG2 MET 5 HG2 MET 5 9.346 -6.886 -11.387 34 HG3 MET 5 HG3 MET 5 8.532 -8.094 -10.395 35 HE1 MET 5 HE1 MET 5 8.756 -10.506 -10.595 36 HE2 MET 5 HE2 MET 5 8.952 -10.910 -12.300 37 HE3 MET 5 HE3 MET 5 10.198 -11.365 -11.137 38 H THR 6 H THR 6 6.570 -6.518 -14.637 39 HA THR 6 HA THR 6 3.756 -7.249 -14.922 40 HB THR 6 HB THR 6 3.842 -6.185 -17.100 41 HG1 THR 6 HG1 THR 6 5.733 -5.497 -17.994 42 HG21 THR 6 HG21 THR 6 5.196 -4.564 -14.943 43 HG22 THR 6 HG22 THR 6 3.464 -4.692 -15.246 44 HG23 THR 6 HG23 THR 6 4.507 -3.885 -16.417 45 H ASP 7 H ASP 7 3.323 -8.215 -17.257 46 HA ASP 7 HA ASP 7 4.373 -10.847 -17.213 47 HB2 ASP 7 HB2 ASP 7 2.993 -11.264 -19.130 48 HB3 ASP 7 HB3 ASP 7 2.096 -10.195 -18.054 49 H GLY 8 H GLY 8 5.665 -11.918 -18.769 50 HA2 GLY 8 HA2 GLY 8 7.034 -11.887 -20.751 51 HA3 GLY 8 HA3 GLY 8 7.248 -10.158 -20.522 52 H THR 9 H THR 9 7.615 -10.821 -17.541 53 HA THR 9 HA THR 9 10.495 -11.248 -17.753 54 HB THR 9 HB THR 9 8.821 -10.357 -15.397 55 HG1 THR 9 HG1 THR 9 9.658 -8.324 -15.885 56 HG21 THR 9 HG21 THR 9 11.824 -10.469 -15.711 57 HG22 THR 9 HG22 THR 9 10.856 -11.534 -14.692 58 HG23 THR 9 HG23 THR 9 10.950 -9.811 -14.329 59 H VAL 10 H VAL 10 11.348 -13.179 -17.394 60 HA VAL 10 HA VAL 10 9.974 -15.470 -16.699 61 HB VAL 10 HB VAL 10 12.899 -14.945 -16.154 62 HG11 VAL 10 HG11 VAL 10 12.268 -16.946 -15.060 63 HG12 VAL 10 HG12 VAL 10 11.285 -17.470 -16.429 64 HG13 VAL 10 HG13 VAL 10 13.044 -17.434 -16.566 65 HG21 VAL 10 HG21 VAL 10 11.427 -15.126 -18.625 66 HG22 VAL 10 HG22 VAL 10 13.128 -14.747 -18.359 67 HG23 VAL 10 HG23 VAL 10 12.611 -16.426 -18.504 68 H CYS 11 H CYS 11 9.475 -16.521 -14.841 69 HA CYS 11 HA CYS 11 10.377 -15.359 -12.299 70 HB2 CYS 11 HB2 CYS 11 8.112 -15.565 -11.372 71 HB3 CYS 11 HB3 CYS 11 8.142 -14.462 -12.744 72 H TYR 12 H TYR 12 10.277 -16.808 -10.492 73 HA TYR 12 HA TYR 12 10.062 -19.647 -11.237 74 HB2 TYR 12 HB2 TYR 12 12.304 -18.194 -9.923 75 HB3 TYR 12 HB3 TYR 12 11.945 -19.822 -9.355 76 HD1 TYR 12 HD2 TYR 12 12.272 -18.061 -12.645 77 HD2 TYR 12 HD1 TYR 12 13.190 -21.500 -10.314 78 HE1 TYR 12 HE2 TYR 12 13.548 -18.993 -14.531 79 HE2 TYR 12 HE1 TYR 12 14.470 -22.440 -12.192 80 HH TYR 12 HH TYR 12 14.434 -22.152 -14.768 81 H ILE 13 H ILE 13 8.750 -20.790 -9.979 82 HA ILE 13 HA ILE 13 7.307 -19.614 -7.857 83 HB ILE 13 HB ILE 13 7.582 -22.571 -8.390 84 HG12 ILE 13 HG12 ILE 13 6.986 -21.456 -10.469 85 HG13 ILE 13 HG13 ILE 13 5.584 -22.309 -9.833 86 HG21 ILE 13 HG21 ILE 13 4.977 -21.744 -7.596 87 HG22 ILE 13 HG22 ILE 13 6.098 -22.816 -6.761 88 HG23 ILE 13 HG23 ILE 13 6.150 -21.080 -6.460 89 HD11 ILE 13 HD11 ILE 13 5.334 -19.796 -8.749 90 HD12 ILE 13 HD12 ILE 13 5.962 -19.487 -10.369 91 HD13 ILE 13 HD13 ILE 13 4.477 -20.415 -10.159 92 H HIS 14 H HIS 14 10.325 -21.260 -7.974 93 HA HIS 14 HA HIS 14 10.339 -21.542 -5.045 94 HB2 HIS 14 HB2 HIS 14 10.881 -23.496 -6.755 95 HB3 HIS 14 HB3 HIS 14 12.475 -22.746 -6.748 96 HD1 HIS 14 HD1 HIS 14 13.813 -24.341 -5.380 97 HD2 HIS 14 HD2 HIS 14 10.200 -23.368 -3.574 98 HE1 HIS 14 HE1 HIS 14 13.897 -25.396 -3.099 99 H ASN 15 H ASN 15 10.744 -19.039 -6.494 100 HA ASN 15 HA ASN 15 13.464 -18.442 -5.544 101 HB2 ASN 15 HB2 ASN 15 13.242 -18.525 -8.079 102 HB3 ASN 15 HB3 ASN 15 12.210 -17.104 -7.941 103 HD21 ASN 15 HD21 ASN 15 13.126 -15.160 -7.813 104 HD22 ASN 15 HD22 ASN 15 14.821 -14.870 -7.652 105 H HIS 16 H HIS 16 10.583 -18.116 -4.542 106 HA HIS 16 HA HIS 16 9.326 -16.584 -3.416 107 HB2 HIS 16 HB2 HIS 16 11.615 -16.577 -2.215 108 HB3 HIS 16 HB3 HIS 16 11.857 -15.015 -2.992 109 HD1 HIS 16 HD1 HIS 16 11.898 -14.627 -0.166 110 HD2 HIS 16 HD2 HIS 16 8.259 -15.007 -2.132 111 HE1 HIS 16 HE1 HIS 16 10.193 -13.597 1.369 112 H ASN 17 H ASN 17 9.501 -16.172 -6.226 113 HA ASN 17 HA ASN 17 9.749 -13.303 -6.615 114 HB2 ASN 17 HB2 ASN 17 9.369 -15.666 -8.409 115 HB3 ASN 17 HB3 ASN 17 8.903 -14.073 -8.996 116 HD21 ASN 17 HD21 ASN 17 10.774 -12.431 -8.028 117 HD22 ASN 17 HD22 ASN 17 12.339 -12.857 -8.622 118 H ASP 18 H ASP 18 8.114 -11.932 -6.415 119 HA ASP 18 HA ASP 18 5.374 -13.008 -6.408 120 HB2 ASP 18 HB2 ASP 18 5.921 -12.012 -4.288 121 HB3 ASP 18 HB3 ASP 18 6.543 -10.563 -5.072 122 H CYS 19 H CYS 19 4.471 -12.743 -8.346 123 HA CYS 19 HA CYS 19 4.882 -10.179 -9.739 124 HB2 CYS 19 HB2 CYS 19 4.758 -12.970 -10.677 125 HB3 CYS 19 HB3 CYS 19 3.842 -11.823 -11.650 126 H CYS 20 H CYS 20 3.165 -8.931 -10.195 127 HA CYS 20 HA CYS 20 0.750 -9.193 -8.884 128 HB2 CYS 20 HB2 CYS 20 1.722 -7.563 -11.170 129 HB3 CYS 20 HB3 CYS 20 -0.022 -7.654 -10.942 130 H GLY 21 H GLY 21 1.768 -10.566 -11.916 131 HA2 GLY 21 HA2 GLY 21 -0.967 -11.512 -12.450 132 HA3 GLY 21 HA3 GLY 21 0.350 -11.490 -13.613 133 H SER 22 H SER 22 -0.955 -13.756 -13.573 134 HA SER 22 HA SER 22 0.355 -15.586 -11.705 135 HB2 SER 22 HB2 SER 22 -2.137 -15.621 -13.274 136 HB3 SER 22 HB3 SER 22 -1.280 -17.161 -13.229 137 HG SER 22 HG SER 22 -1.921 -15.626 -10.931 138 H CYS 23 H CYS 23 1.824 -17.093 -12.301 139 HA CYS 23 HA CYS 23 3.213 -16.745 -14.756 140 HB2 CYS 23 HB2 CYS 23 3.425 -18.717 -12.495 141 HB3 CYS 23 HB3 CYS 23 4.396 -18.902 -13.952 142 H LEU 24 H LEU 24 2.920 -17.690 -16.667 143 HA LEU 24 HA LEU 24 1.135 -20.031 -16.800 144 HB2 LEU 24 HB2 LEU 24 1.493 -17.751 -18.731 145 HB3 LEU 24 HB3 LEU 24 0.631 -19.234 -19.133 146 HG LEU 24 HG LEU 24 -0.153 -17.271 -16.978 147 HD11 LEU 24 HD11 LEU 24 -0.938 -17.622 -19.821 148 HD12 LEU 24 HD12 LEU 24 -0.763 -16.149 -18.868 149 HD13 LEU 24 HD13 LEU 24 -2.183 -17.172 -18.656 150 HD21 LEU 24 HD21 LEU 24 -1.499 -18.838 -16.176 151 HD22 LEU 24 HD22 LEU 24 -0.798 -20.001 -17.303 152 HD23 LEU 24 HD23 LEU 24 -2.222 -19.068 -17.767 153 H CYS 25 H CYS 25 2.049 -21.840 -17.493 154 HA CYS 25 HA CYS 25 4.687 -21.737 -18.719 155 HB2 CYS 25 HB2 CYS 25 3.095 -24.192 -17.966 156 HB3 CYS 25 HB3 CYS 25 4.828 -24.086 -18.259 157 H SER 26 H SER 26 5.077 -22.047 -20.815 158 HA SER 26 HA SER 26 2.898 -22.312 -22.652 159 HB2 SER 26 HB2 SER 26 5.219 -21.061 -22.890 160 HB3 SER 26 HB3 SER 26 5.740 -22.618 -23.533 161 HG SER 26 HG SER 26 4.931 -21.816 -25.314 162 H ASN 27 H ASN 27 1.968 -24.168 -23.165 163 HA ASN 27 HA ASN 27 3.637 -26.594 -23.285 164 HB2 ASN 27 HB2 ASN 27 1.910 -26.428 -21.381 165 HB3 ASN 27 HB3 ASN 27 0.696 -26.636 -22.639 166 HD21 ASN 27 HD21 ASN 27 0.863 -28.438 -20.624 167 HD22 ASN 27 HD22 ASN 27 1.478 -29.941 -21.217 168 H GLY 28 H GLY 28 2.909 -24.644 -25.391 169 HA2 GLY 28 HA2 GLY 28 0.884 -25.611 -27.068 170 HA3 GLY 28 HA3 GLY 28 2.273 -24.673 -27.594 171 HA PRO 29 HA PRO 29 2.500 -28.918 -29.488 172 HB2 PRO 29 HB2 PRO 29 2.915 -28.037 -32.022 173 HB3 PRO 29 HB3 PRO 29 1.302 -28.269 -31.337 174 HG2 PRO 29 HG2 PRO 29 2.886 -25.747 -31.640 175 HG3 PRO 29 HG3 PRO 29 1.163 -26.031 -31.952 176 HD2 PRO 29 HD2 PRO 29 2.058 -24.848 -29.687 177 HD3 PRO 29 HD3 PRO 29 0.603 -25.866 -29.723 178 H ILE 30 H ILE 30 4.402 -29.943 -29.537 179 HA ILE 30 HA ILE 30 6.827 -28.370 -30.118 180 HB ILE 30 HB ILE 30 8.026 -29.970 -28.581 181 HG12 ILE 30 HG12 ILE 30 5.668 -30.538 -26.986 182 HG13 ILE 30 HG13 ILE 30 5.553 -31.271 -28.582 183 HG21 ILE 30 HG21 ILE 30 6.046 -28.537 -26.908 184 HG22 ILE 30 HG22 ILE 30 7.808 -28.517 -26.849 185 HG23 ILE 30 HG23 ILE 30 6.956 -27.583 -28.078 186 HD11 ILE 30 HD11 ILE 30 7.881 -31.617 -26.709 187 HD12 ILE 30 HD12 ILE 30 6.542 -32.753 -26.880 188 HD13 ILE 30 HD13 ILE 30 7.617 -32.445 -28.244 189 H ALA 31 H ALA 31 7.788 -29.024 -31.914 190 HA ALA 31 HA ALA 31 7.387 -31.788 -32.825 191 HB1 ALA 31 HB1 ALA 31 7.173 -30.957 -34.873 192 HB2 ALA 31 HB2 ALA 31 7.235 -29.341 -34.168 193 HB3 ALA 31 HB3 ALA 31 8.714 -30.108 -34.748 194 H ARG 32 H ARG 32 9.844 -29.442 -31.965 195 HA ARG 32 HA ARG 32 11.823 -31.601 -31.944 196 HB2 ARG 32 HB2 ARG 32 12.193 -28.895 -33.232 197 HB3 ARG 32 HB3 ARG 32 13.523 -29.981 -32.851 198 HG2 ARG 32 HG2 ARG 32 11.271 -31.013 -34.495 199 HG3 ARG 32 HG3 ARG 32 12.446 -29.928 -35.242 200 HD2 ARG 32 HD2 ARG 32 13.434 -32.231 -33.632 201 HD3 ARG 32 HD3 ARG 32 12.796 -32.538 -35.247 202 HE ARG 32 HE ARG 32 15.279 -31.257 -34.580 203 HH11 ARG 32 HH11 ARG 32 12.787 -31.589 -36.989 204 HH12 ARG 32 HH12 ARG 32 13.817 -31.130 -38.305 205 HH21 ARG 32 HH21 ARG 32 16.645 -30.650 -36.304 206 HH22 ARG 32 HH22 ARG 32 16.010 -30.597 -37.914 207 HA PRO 33 HA PRO 33 11.761 -29.108 -28.024 208 HB2 PRO 33 HB2 PRO 33 11.751 -31.265 -26.376 209 HB3 PRO 33 HB3 PRO 33 10.274 -30.556 -27.038 210 HG2 PRO 33 HG2 PRO 33 11.800 -32.960 -27.963 211 HG3 PRO 33 HG3 PRO 33 10.048 -32.743 -27.796 212 HD2 PRO 33 HD2 PRO 33 11.317 -32.565 -30.181 213 HD3 PRO 33 HD3 PRO 33 9.871 -31.610 -29.795 214 H TRP 34 H TRP 34 13.740 -31.556 -29.421 215 HA TRP 34 HA TRP 34 15.787 -31.641 -27.460 216 HB2 TRP 34 HB2 TRP 34 15.615 -32.419 -30.355 217 HB3 TRP 34 HB3 TRP 34 17.167 -32.440 -29.524 218 HD1 TRP 34 HD1 TRP 34 13.615 -33.886 -28.857 219 HE1 TRP 34 HE1 TRP 34 13.903 -36.249 -27.881 220 HE3 TRP 34 HE3 TRP 34 18.722 -34.087 -28.710 221 HZ2 TRP 34 HZ2 TRP 34 16.016 -37.972 -27.144 222 HZ3 TRP 34 HZ3 TRP 34 19.798 -36.128 -27.855 223 HH2 TRP 34 HH2 TRP 34 18.470 -38.029 -27.089 224 H GLU 35 H GLU 35 15.036 -29.448 -30.044 225 HA GLU 35 HA GLU 35 17.540 -27.990 -29.510 226 HB2 GLU 35 HB2 GLU 35 15.870 -27.814 -32.018 227 HB3 GLU 35 HB3 GLU 35 17.459 -27.114 -31.747 228 HG2 GLU 35 HG2 GLU 35 18.405 -29.374 -31.570 229 HG3 GLU 35 HG3 GLU 35 16.811 -30.048 -31.909 230 H MET 36 H MET 36 14.065 -27.750 -29.969 231 HA MET 36 HA MET 36 14.139 -24.907 -29.261 232 HB2 MET 36 HB2 MET 36 12.052 -26.686 -30.489 233 HB3 MET 36 HB3 MET 36 11.608 -25.141 -29.775 234 HG2 MET 36 HG2 MET 36 11.889 -24.619 -32.002 235 HG3 MET 36 HG3 MET 36 13.437 -24.161 -31.295 236 HE1 MET 36 HE1 MET 36 14.902 -24.125 -33.198 237 HE2 MET 36 HE2 MET 36 15.112 -25.374 -34.425 238 HE3 MET 36 HE3 MET 36 13.636 -24.409 -34.392 239 H MET 37 H MET 37 14.880 -26.211 -27.118 240 HA MET 37 HA MET 37 12.711 -27.145 -25.494 241 HB2 MET 37 HB2 MET 37 15.286 -27.677 -25.376 242 HB3 MET 37 HB3 MET 37 15.323 -26.260 -24.335 243 HG2 MET 37 HG2 MET 37 13.366 -27.478 -23.106 244 HG3 MET 37 HG3 MET 37 14.036 -28.906 -23.891 245 HE1 MET 37 HE1 MET 37 15.770 -25.671 -22.028 246 HE2 MET 37 HE2 MET 37 14.259 -26.234 -21.313 247 HE3 MET 37 HE3 MET 37 15.785 -26.478 -20.460 248 H VAL 38 H VAL 38 11.232 -25.405 -25.529 249 HA VAL 38 HA VAL 38 12.085 -22.996 -24.069 250 HB VAL 38 HB VAL 38 9.937 -22.003 -24.975 251 HG11 VAL 38 HG11 VAL 38 11.434 -21.034 -26.299 252 HG12 VAL 38 HG12 VAL 38 12.462 -22.468 -26.267 253 HG13 VAL 38 HG13 VAL 38 11.174 -22.331 -27.465 254 HG21 VAL 38 HG21 VAL 38 8.624 -23.090 -26.472 255 HG22 VAL 38 HG22 VAL 38 9.967 -24.013 -27.149 256 HG23 VAL 38 HG23 VAL 38 9.243 -24.504 -25.618 257 H GLY 39 H GLY 39 11.499 -25.431 -22.699 258 HA2 GLY 39 HA2 GLY 39 8.821 -25.272 -21.648 259 HA3 GLY 39 HA3 GLY 39 10.102 -26.338 -21.089 260 H ASN 40 H ASN 40 9.123 -22.919 -21.055 261 HA ASN 40 HA ASN 40 10.048 -22.784 -18.270 262 HB2 ASN 40 HB2 ASN 40 10.745 -20.950 -20.539 263 HB3 ASN 40 HB3 ASN 40 10.661 -20.318 -18.898 264 HD21 ASN 40 HD21 ASN 40 12.637 -21.670 -21.167 265 HD22 ASN 40 HD22 ASN 40 13.913 -22.217 -20.139 266 H CYS 41 H CYS 41 9.132 -20.856 -17.117 267 HA CYS 41 HA CYS 41 6.459 -20.172 -18.146 268 HB2 CYS 41 HB2 CYS 41 7.116 -20.687 -15.241 269 HB3 CYS 41 HB3 CYS 41 5.526 -20.391 -15.935 270 H MET 42 H MET 42 5.903 -18.072 -18.059 271 HA MET 42 HA MET 42 7.650 -16.254 -16.535 272 HB2 MET 42 HB2 MET 42 6.610 -16.018 -19.344 273 HB3 MET 42 HB3 MET 42 7.039 -14.584 -18.422 274 HG2 MET 42 HG2 MET 42 9.261 -15.015 -18.512 275 HG3 MET 42 HG3 MET 42 9.035 -16.762 -18.525 276 HE1 MET 42 HE1 MET 42 9.634 -18.100 -20.970 277 HE2 MET 42 HE2 MET 42 7.973 -17.995 -20.387 278 HE3 MET 42 HE3 MET 42 8.331 -17.694 -22.088 279 H CYS 43 H CYS 43 6.561 -14.026 -16.299 280 HA CYS 43 HA CYS 43 4.096 -14.428 -14.921 281 HB2 CYS 43 HB2 CYS 43 5.705 -11.960 -15.575 282 HB3 CYS 43 HB3 CYS 43 4.194 -11.896 -14.675 283 H GLY 44 H GLY 44 2.039 -13.707 -15.423 284 HA2 GLY 44 HA2 GLY 44 1.560 -12.322 -17.929 285 HA3 GLY 44 HA3 GLY 44 0.988 -13.983 -17.875 286 HA PRO 45 HA PRO 45 -2.096 -10.889 -15.989 287 HB2 PRO 45 HB2 PRO 45 -3.900 -10.853 -18.016 288 HB3 PRO 45 HB3 PRO 45 -2.558 -9.709 -17.904 289 HG2 PRO 45 HG2 PRO 45 -2.788 -12.203 -19.542 290 HG3 PRO 45 HG3 PRO 45 -2.141 -10.618 -20.003 291 HD2 PRO 45 HD2 PRO 45 -0.548 -12.700 -19.324 292 HD3 PRO 45 HD3 PRO 45 -0.109 -11.012 -18.990 293 H LYS 46 H LYS 46 -3.695 -11.704 -14.763 294 HA LYS 46 HA LYS 46 -4.509 -14.470 -15.240 295 HB2 LYS 46 HB2 LYS 46 -5.400 -14.368 -12.936 296 HB3 LYS 46 HB3 LYS 46 -3.689 -13.970 -13.013 297 HG2 LYS 46 HG2 LYS 46 -5.502 -11.671 -13.207 298 HG3 LYS 46 HG3 LYS 46 -5.543 -12.534 -11.667 299 HD2 LYS 46 HD2 LYS 46 -3.370 -12.007 -11.161 300 HD3 LYS 46 HD3 LYS 46 -2.892 -11.881 -12.855 301 HE2 LYS 46 HE2 LYS 46 -2.882 -9.669 -12.292 302 HE3 LYS 46 HE3 LYS 46 -4.561 -9.833 -12.802 303 HZ1 LYS 46 HZ1 LYS 46 -4.392 -10.506 -10.091 304 HZ2 LYS 46 HZ2 LYS 46 -5.196 -9.196 -10.795 305 HZ3 LYS 46 HZ3 LYS 46 -3.584 -9.036 -10.308 306 H ALA 47 H ALA 47 -6.787 -15.066 -14.875 307 HA ALA 47 HA ALA 47 -8.597 -12.970 -15.884 308 HB1 ALA 47 HB1 ALA 47 -8.078 -15.634 -16.814 309 HB2 ALA 47 HB2 ALA 47 -9.773 -15.472 -16.351 310 HB3 ALA 47 HB3 ALA 47 -9.075 -14.370 -17.538 Start of MODEL 11 1 H1 SER 1 H SER 1 2.367 -3.259 0.802 2 HA SER 1 HA SER 1 2.062 -3.349 -1.925 3 HB2 SER 1 HB2 SER 1 3.264 -0.982 -0.481 4 HB3 SER 1 HB3 SER 1 2.266 -0.966 -1.936 5 HG SER 1 HG SER 1 0.580 -1.892 -0.558 6 H LYS 2 H LYS 2 3.799 -4.913 -2.451 7 HA LYS 2 HA LYS 2 6.460 -3.719 -2.693 8 HB2 LYS 2 HB2 LYS 2 6.010 -6.093 -1.789 9 HB3 LYS 2 HB3 LYS 2 5.724 -6.531 -3.467 10 HG2 LYS 2 HG2 LYS 2 7.936 -6.110 -4.081 11 HG3 LYS 2 HG3 LYS 2 8.254 -5.166 -2.623 12 HD2 LYS 2 HD2 LYS 2 8.480 -7.039 -1.300 13 HD3 LYS 2 HD3 LYS 2 7.479 -8.036 -2.357 14 HE2 LYS 2 HE2 LYS 2 9.273 -8.031 -4.035 15 HE3 LYS 2 HE3 LYS 2 10.273 -7.064 -2.952 16 HZ1 LYS 2 HZ1 LYS 2 10.159 -9.799 -3.058 17 HZ2 LYS 2 HZ2 LYS 2 9.288 -9.406 -1.663 18 HZ3 LYS 2 HZ3 LYS 2 10.882 -8.871 -1.843 19 H GLU 3 H GLU 3 7.409 -3.245 -4.614 20 HA GLU 3 HA GLU 3 5.751 -2.819 -6.873 21 HB2 GLU 3 HB2 GLU 3 8.704 -2.593 -6.376 22 HB3 GLU 3 HB3 GLU 3 8.053 -2.390 -7.996 23 HG2 GLU 3 HG2 GLU 3 6.494 -0.653 -6.947 24 HG3 GLU 3 HG3 GLU 3 7.588 -0.704 -5.567 25 H CYS 4 H CYS 4 4.868 -4.784 -7.511 26 HA CYS 4 HA CYS 4 6.403 -7.112 -8.025 27 HB2 CYS 4 HB2 CYS 4 4.370 -7.930 -9.175 28 HB3 CYS 4 HB3 CYS 4 4.017 -7.262 -7.585 29 H MET 5 H MET 5 5.876 -8.080 -10.438 30 HA MET 5 HA MET 5 7.026 -6.115 -12.310 31 HB2 MET 5 HB2 MET 5 7.507 -9.092 -12.400 32 HB3 MET 5 HB3 MET 5 8.336 -7.842 -13.318 33 HG2 MET 5 HG2 MET 5 9.339 -6.989 -11.272 34 HG3 MET 5 HG3 MET 5 8.487 -8.214 -10.335 35 HE1 MET 5 HE1 MET 5 9.083 -11.054 -12.294 36 HE2 MET 5 HE2 MET 5 10.163 -11.442 -10.955 37 HE3 MET 5 HE3 MET 5 8.648 -10.591 -10.649 38 H THR 6 H THR 6 6.583 -6.582 -14.612 39 HA THR 6 HA THR 6 3.796 -7.397 -14.927 40 HB THR 6 HB THR 6 3.951 -6.368 -17.166 41 HG1 THR 6 HG1 THR 6 6.031 -5.020 -17.325 42 HG21 THR 6 HG21 THR 6 3.393 -4.431 -16.212 43 HG22 THR 6 HG22 THR 6 5.062 -4.136 -15.726 44 HG23 THR 6 HG23 THR 6 3.990 -5.069 -14.681 45 H ASP 7 H ASP 7 3.408 -8.354 -17.274 46 HA ASP 7 HA ASP 7 4.525 -10.957 -17.245 47 HB2 ASP 7 HB2 ASP 7 3.174 -11.393 -19.173 48 HB3 ASP 7 HB3 ASP 7 2.242 -10.343 -18.110 49 H GLY 8 H GLY 8 5.863 -11.981 -18.793 50 HA2 GLY 8 HA2 GLY 8 7.252 -11.893 -20.761 51 HA3 GLY 8 HA3 GLY 8 7.427 -10.163 -20.505 52 H THR 9 H THR 9 7.771 -10.862 -17.530 53 HA THR 9 HA THR 9 10.662 -11.169 -17.699 54 HB THR 9 HB THR 9 8.899 -10.507 -15.331 55 HG1 THR 9 HG1 THR 9 9.216 -8.932 -17.146 56 HG21 THR 9 HG21 THR 9 10.980 -9.909 -14.191 57 HG22 THR 9 HG22 THR 9 11.908 -10.451 -15.589 58 HG23 THR 9 HG23 THR 9 10.976 -11.613 -14.645 59 H VAL 10 H VAL 10 11.680 -13.016 -17.296 60 HA VAL 10 HA VAL 10 10.451 -15.449 -16.867 61 HB VAL 10 HB VAL 10 13.261 -14.676 -16.073 62 HG11 VAL 10 HG11 VAL 10 13.248 -16.706 -15.116 63 HG12 VAL 10 HG12 VAL 10 11.781 -17.202 -15.962 64 HG13 VAL 10 HG13 VAL 10 13.345 -17.305 -16.772 65 HG21 VAL 10 HG21 VAL 10 12.677 -14.251 -18.447 66 HG22 VAL 10 HG22 VAL 10 13.931 -15.476 -18.242 67 HG23 VAL 10 HG23 VAL 10 12.277 -15.961 -18.616 68 H CYS 11 H CYS 11 9.562 -16.425 -15.171 69 HA CYS 11 HA CYS 11 10.252 -15.469 -12.472 70 HB2 CYS 11 HB2 CYS 11 7.970 -15.610 -11.782 71 HB3 CYS 11 HB3 CYS 11 7.996 -14.679 -13.276 72 H TYR 12 H TYR 12 10.017 -17.026 -10.771 73 HA TYR 12 HA TYR 12 9.831 -19.822 -11.641 74 HB2 TYR 12 HB2 TYR 12 12.168 -18.465 -10.414 75 HB3 TYR 12 HB3 TYR 12 11.780 -20.071 -9.806 76 HD1 TYR 12 HD1 TYR 12 11.899 -22.024 -11.292 77 HD2 TYR 12 HD2 TYR 12 13.036 -18.150 -12.634 78 HE1 TYR 12 HE1 TYR 12 13.051 -23.036 -13.215 79 HE2 TYR 12 HE2 TYR 12 14.191 -19.150 -14.562 80 HH TYR 12 HH TYR 12 14.107 -22.646 -15.143 81 H ILE 13 H ILE 13 8.797 -21.144 -10.244 82 HA ILE 13 HA ILE 13 7.269 -20.022 -8.147 83 HB ILE 13 HB ILE 13 7.829 -22.957 -8.556 84 HG12 ILE 13 HG12 ILE 13 7.107 -22.010 -10.677 85 HG13 ILE 13 HG13 ILE 13 5.801 -22.962 -9.982 86 HG21 ILE 13 HG21 ILE 13 5.552 -21.456 -7.275 87 HG22 ILE 13 HG22 ILE 13 5.550 -23.190 -7.592 88 HG23 ILE 13 HG23 ILE 13 6.726 -22.501 -6.475 89 HD11 ILE 13 HD11 ILE 13 4.466 -21.220 -10.213 90 HD12 ILE 13 HD12 ILE 13 5.460 -20.329 -9.059 91 HD13 ILE 13 HD13 ILE 13 5.809 -20.230 -10.785 92 H HIS 14 H HIS 14 10.415 -21.446 -8.261 93 HA HIS 14 HA HIS 14 10.513 -21.637 -5.333 94 HB2 HIS 14 HB2 HIS 14 11.311 -23.493 -7.050 95 HB3 HIS 14 HB3 HIS 14 12.783 -22.524 -7.057 96 HD1 HIS 14 HD1 HIS 14 14.285 -24.078 -5.768 97 HD2 HIS 14 HD2 HIS 14 10.713 -23.296 -3.796 98 HE1 HIS 14 HE1 HIS 14 14.555 -25.065 -3.472 99 H ASN 15 H ASN 15 10.606 -19.129 -6.944 100 HA ASN 15 HA ASN 15 13.289 -18.183 -6.190 101 HB2 ASN 15 HB2 ASN 15 11.513 -17.608 -8.466 102 HB3 ASN 15 HB3 ASN 15 12.252 -16.183 -7.740 103 HD21 ASN 15 HD21 ASN 15 13.424 -19.491 -8.238 104 HD22 ASN 15 HD22 ASN 15 14.828 -19.040 -9.138 105 H HIS 16 H HIS 16 10.040 -18.077 -5.332 106 HA HIS 16 HA HIS 16 8.876 -16.910 -3.764 107 HB2 HIS 16 HB2 HIS 16 11.082 -17.277 -2.513 108 HB3 HIS 16 HB3 HIS 16 11.466 -15.611 -2.934 109 HD1 HIS 16 HD1 HIS 16 11.448 -15.619 -0.148 110 HD2 HIS 16 HD2 HIS 16 7.803 -15.711 -2.139 111 HE1 HIS 16 HE1 HIS 16 9.743 -14.855 1.536 112 H ASN 17 H ASN 17 9.468 -15.789 -6.443 113 HA ASN 17 HA ASN 17 9.651 -12.934 -6.059 114 HB2 ASN 17 HB2 ASN 17 9.617 -12.759 -8.425 115 HB3 ASN 17 HB3 ASN 17 10.552 -14.208 -8.071 116 HD21 ASN 17 HD21 ASN 17 7.588 -12.945 -9.346 117 HD22 ASN 17 HD22 ASN 17 7.036 -14.412 -10.074 118 H ASP 18 H ASP 18 8.023 -11.435 -6.299 119 HA ASP 18 HA ASP 18 5.290 -12.524 -6.212 120 HB2 ASP 18 HB2 ASP 18 4.737 -10.285 -5.142 121 HB3 ASP 18 HB3 ASP 18 5.735 -11.373 -4.183 122 H CYS 19 H CYS 19 4.392 -12.421 -8.168 123 HA CYS 19 HA CYS 19 4.791 -9.975 -9.761 124 HB2 CYS 19 HB2 CYS 19 4.637 -12.841 -10.482 125 HB3 CYS 19 HB3 CYS 19 3.795 -11.733 -11.561 126 H CYS 20 H CYS 20 3.065 -8.787 -10.342 127 HA CYS 20 HA CYS 20 0.640 -8.983 -9.017 128 HB2 CYS 20 HB2 CYS 20 1.577 -7.509 -11.438 129 HB3 CYS 20 HB3 CYS 20 -0.150 -7.541 -11.097 130 H GLY 21 H GLY 21 1.722 -10.579 -11.897 131 HA2 GLY 21 HA2 GLY 21 -1.007 -11.581 -12.390 132 HA3 GLY 21 HA3 GLY 21 0.289 -11.562 -13.578 133 H SER 22 H SER 22 -0.945 -13.866 -13.421 134 HA SER 22 HA SER 22 0.467 -15.578 -11.514 135 HB2 SER 22 HB2 SER 22 -2.079 -15.722 -12.959 136 HB3 SER 22 HB3 SER 22 -1.172 -17.235 -12.989 137 HG SER 22 HG SER 22 -1.145 -17.238 -10.756 138 H CYS 23 H CYS 23 1.825 -17.234 -12.120 139 HA CYS 23 HA CYS 23 3.272 -16.877 -14.539 140 HB2 CYS 23 HB2 CYS 23 3.384 -18.777 -12.241 141 HB3 CYS 23 HB3 CYS 23 4.218 -19.223 -13.727 142 H LEU 24 H LEU 24 2.980 -17.757 -16.482 143 HA LEU 24 HA LEU 24 1.106 -20.020 -16.715 144 HB2 LEU 24 HB2 LEU 24 1.528 -17.642 -18.503 145 HB3 LEU 24 HB3 LEU 24 0.705 -19.100 -19.052 146 HG LEU 24 HG LEU 24 -0.197 -17.317 -16.791 147 HD11 LEU 24 HD11 LEU 24 -0.901 -17.484 -19.682 148 HD12 LEU 24 HD12 LEU 24 -0.697 -16.069 -18.652 149 HD13 LEU 24 HD13 LEU 24 -2.149 -17.060 -18.510 150 HD21 LEU 24 HD21 LEU 24 -0.790 -20.017 -17.348 151 HD22 LEU 24 HD22 LEU 24 -2.203 -19.071 -17.816 152 HD23 LEU 24 HD23 LEU 24 -1.564 -18.951 -16.175 153 H CYS 25 H CYS 25 2.237 -21.803 -17.118 154 HA CYS 25 HA CYS 25 4.759 -21.700 -18.532 155 HB2 CYS 25 HB2 CYS 25 3.263 -24.145 -17.576 156 HB3 CYS 25 HB3 CYS 25 4.973 -24.031 -17.981 157 H SER 26 H SER 26 5.069 -22.102 -20.626 158 HA SER 26 HA SER 26 2.872 -23.345 -22.147 159 HB2 SER 26 HB2 SER 26 2.706 -21.238 -23.024 160 HB3 SER 26 HB3 SER 26 4.379 -20.832 -22.644 161 HG SER 26 HG SER 26 3.313 -22.098 -24.887 162 H ASN 27 H ASN 27 3.466 -25.225 -22.975 163 HA ASN 27 HA ASN 27 6.250 -25.942 -23.203 164 HB2 ASN 27 HB2 ASN 27 5.475 -28.152 -23.712 165 HB3 ASN 27 HB3 ASN 27 4.452 -27.523 -22.424 166 HD21 ASN 27 HD21 ASN 27 4.586 -28.718 -25.613 167 HD22 ASN 27 HD22 ASN 27 2.901 -28.597 -25.975 168 H GLY 28 H GLY 28 3.606 -25.103 -25.355 169 HA2 GLY 28 HA2 GLY 28 3.554 -24.640 -27.603 170 HA3 GLY 28 HA3 GLY 28 5.262 -24.260 -27.441 171 HA PRO 29 HA PRO 29 4.607 -28.051 -30.151 172 HB2 PRO 29 HB2 PRO 29 5.684 -27.001 -32.410 173 HB3 PRO 29 HB3 PRO 29 3.968 -26.861 -32.009 174 HG2 PRO 29 HG2 PRO 29 6.168 -24.863 -31.646 175 HG3 PRO 29 HG3 PRO 29 4.516 -24.612 -32.239 176 HD2 PRO 29 HD2 PRO 29 5.257 -24.030 -29.701 177 HD3 PRO 29 HD3 PRO 29 3.623 -24.587 -30.114 178 H ILE 30 H ILE 30 6.161 -29.551 -30.095 179 HA ILE 30 HA ILE 30 8.970 -28.657 -30.069 180 HB ILE 30 HB ILE 30 9.424 -30.707 -28.662 181 HG12 ILE 30 HG12 ILE 30 6.743 -30.742 -27.531 182 HG13 ILE 30 HG13 ILE 30 6.749 -31.254 -29.215 183 HG21 ILE 30 HG21 ILE 30 8.546 -29.608 -26.555 184 HG22 ILE 30 HG22 ILE 30 9.546 -28.604 -27.603 185 HG23 ILE 30 HG23 ILE 30 7.794 -28.410 -27.609 186 HD11 ILE 30 HD11 ILE 30 8.538 -32.416 -27.097 187 HD12 ILE 30 HD12 ILE 30 6.985 -33.102 -27.579 188 HD13 ILE 30 HD13 ILE 30 8.305 -33.001 -28.744 189 H ALA 31 H ALA 31 10.041 -29.338 -31.791 190 HA ALA 31 HA ALA 31 9.146 -31.795 -33.141 191 HB1 ALA 31 HB1 ALA 31 9.814 -30.917 -35.158 192 HB2 ALA 31 HB2 ALA 31 9.291 -29.462 -34.309 193 HB3 ALA 31 HB3 ALA 31 11.008 -29.847 -34.422 194 H ARG 32 H ARG 32 11.889 -30.193 -31.680 195 HA ARG 32 HA ARG 32 13.357 -32.726 -31.770 196 HB2 ARG 32 HB2 ARG 32 14.588 -30.052 -32.460 197 HB3 ARG 32 HB3 ARG 32 15.438 -31.588 -32.359 198 HG2 ARG 32 HG2 ARG 32 13.199 -31.047 -34.292 199 HG3 ARG 32 HG3 ARG 32 14.908 -30.822 -34.673 200 HD2 ARG 32 HD2 ARG 32 15.361 -33.138 -34.380 201 HD3 ARG 32 HD3 ARG 32 13.770 -33.423 -33.676 202 HE ARG 32 HE ARG 32 13.614 -32.402 -36.338 203 HH11 ARG 32 HH11 ARG 32 14.119 -35.284 -34.454 204 HH12 ARG 32 HH12 ARG 32 13.560 -36.353 -35.698 205 HH21 ARG 32 HH21 ARG 32 12.876 -33.798 -37.984 206 HH22 ARG 32 HH22 ARG 32 12.855 -35.506 -37.706 207 HA PRO 33 HA PRO 33 13.280 -30.767 -27.558 208 HB2 PRO 33 HB2 PRO 33 12.595 -33.046 -26.254 209 HB3 PRO 33 HB3 PRO 33 11.403 -31.949 -26.960 210 HG2 PRO 33 HG2 PRO 33 12.506 -34.507 -28.055 211 HG3 PRO 33 HG3 PRO 33 10.832 -33.923 -28.048 212 HD2 PRO 33 HD2 PRO 33 12.424 -33.753 -30.231 213 HD3 PRO 33 HD3 PRO 33 11.170 -32.550 -29.868 214 H TRP 34 H TRP 34 14.885 -33.400 -29.084 215 HA TRP 34 HA TRP 34 16.576 -34.188 -26.949 216 HB2 TRP 34 HB2 TRP 34 16.709 -34.509 -29.938 217 HB3 TRP 34 HB3 TRP 34 18.029 -35.049 -28.906 218 HD1 TRP 34 HD1 TRP 34 14.181 -35.492 -28.538 219 HE1 TRP 34 HE1 TRP 34 13.714 -37.993 -28.154 220 HE3 TRP 34 HE3 TRP 34 18.964 -37.270 -28.857 221 HZ2 TRP 34 HZ2 TRP 34 15.178 -40.402 -28.004 222 HZ3 TRP 34 HZ3 TRP 34 19.345 -39.685 -28.582 223 HH2 TRP 34 HH2 TRP 34 17.490 -41.217 -28.163 224 H GLU 35 H GLU 35 16.653 -31.565 -29.216 225 HA GLU 35 HA GLU 35 19.293 -30.773 -28.174 226 HB2 GLU 35 HB2 GLU 35 19.722 -29.629 -30.263 227 HB3 GLU 35 HB3 GLU 35 19.315 -31.309 -30.589 228 HG2 GLU 35 HG2 GLU 35 16.970 -30.539 -31.057 229 HG3 GLU 35 HG3 GLU 35 17.580 -28.887 -30.977 230 H MET 36 H MET 36 16.056 -29.730 -29.058 231 HA MET 36 HA MET 36 16.550 -27.196 -27.637 232 HB2 MET 36 HB2 MET 36 15.031 -27.803 -30.128 233 HB3 MET 36 HB3 MET 36 14.414 -26.535 -29.076 234 HG2 MET 36 HG2 MET 36 16.596 -25.403 -29.205 235 HG3 MET 36 HG3 MET 36 17.150 -26.648 -30.322 236 HE1 MET 36 HE1 MET 36 17.381 -23.804 -30.573 237 HE2 MET 36 HE2 MET 36 16.984 -23.466 -32.258 238 HE3 MET 36 HE3 MET 36 15.951 -22.849 -30.967 239 H MET 37 H MET 37 15.922 -27.989 -25.622 240 HA MET 37 HA MET 37 13.151 -28.936 -25.387 241 HB2 MET 37 HB2 MET 37 15.012 -30.326 -24.423 242 HB3 MET 37 HB3 MET 37 15.317 -29.021 -23.284 243 HG2 MET 37 HG2 MET 37 14.003 -30.641 -22.168 244 HG3 MET 37 HG3 MET 37 12.960 -29.260 -22.503 245 HE1 MET 37 HE1 MET 37 10.596 -30.340 -22.401 246 HE2 MET 37 HE2 MET 37 10.864 -29.299 -23.798 247 HE3 MET 37 HE3 MET 37 9.995 -30.823 -23.988 248 H VAL 38 H VAL 38 11.926 -27.114 -25.316 249 HA VAL 38 HA VAL 38 12.667 -25.014 -23.400 250 HB VAL 38 HB VAL 38 10.927 -23.647 -24.535 251 HG11 VAL 38 HG11 VAL 38 12.469 -22.884 -25.969 252 HG12 VAL 38 HG12 VAL 38 13.491 -24.169 -25.324 253 HG13 VAL 38 HG13 VAL 38 12.583 -24.427 -26.814 254 HG21 VAL 38 HG21 VAL 38 10.855 -25.542 -26.814 255 HG22 VAL 38 HG22 VAL 38 9.856 -25.920 -25.411 256 HG23 VAL 38 HG23 VAL 38 9.640 -24.389 -26.260 257 H GLY 39 H GLY 39 11.086 -24.162 -21.955 258 HA2 GLY 39 HA2 GLY 39 8.487 -24.985 -21.589 259 HA3 GLY 39 HA3 GLY 39 9.461 -26.186 -20.755 260 H ASN 40 H ASN 40 10.061 -22.710 -21.053 261 HA ASN 40 HA ASN 40 10.333 -22.538 -18.167 262 HB2 ASN 40 HB2 ASN 40 10.901 -20.624 -20.426 263 HB3 ASN 40 HB3 ASN 40 10.988 -20.128 -18.739 264 HD21 ASN 40 HD21 ASN 40 12.993 -20.530 -20.982 265 HD22 ASN 40 HD22 ASN 40 14.244 -21.475 -20.253 266 H CYS 41 H CYS 41 9.305 -20.802 -16.947 267 HA CYS 41 HA CYS 41 6.643 -20.116 -18.014 268 HB2 CYS 41 HB2 CYS 41 7.307 -20.584 -15.104 269 HB3 CYS 41 HB3 CYS 41 5.711 -20.363 -15.814 270 H MET 42 H MET 42 5.968 -18.041 -17.841 271 HA MET 42 HA MET 42 7.693 -16.167 -16.365 272 HB2 MET 42 HB2 MET 42 6.627 -15.963 -19.166 273 HB3 MET 42 HB3 MET 42 7.017 -14.515 -18.246 274 HG2 MET 42 HG2 MET 42 9.249 -14.873 -18.357 275 HG3 MET 42 HG3 MET 42 9.081 -16.627 -18.359 276 HE1 MET 42 HE1 MET 42 11.087 -16.713 -20.426 277 HE2 MET 42 HE2 MET 42 9.809 -17.887 -20.109 278 HE3 MET 42 HE3 MET 42 10.145 -17.373 -21.763 279 H CYS 43 H CYS 43 6.509 -13.943 -16.212 280 HA CYS 43 HA CYS 43 4.056 -14.440 -14.809 281 HB2 CYS 43 HB2 CYS 43 5.627 -11.929 -15.387 282 HB3 CYS 43 HB3 CYS 43 4.107 -11.916 -14.500 283 H GLY 44 H GLY 44 2.002 -13.592 -15.275 284 HA2 GLY 44 HA2 GLY 44 1.499 -12.161 -17.716 285 HA3 GLY 44 HA3 GLY 44 1.028 -13.851 -17.812 286 HA PRO 45 HA PRO 45 -2.284 -11.105 -15.777 287 HB2 PRO 45 HB2 PRO 45 -4.034 -11.006 -17.851 288 HB3 PRO 45 HB3 PRO 45 -2.766 -9.799 -17.605 289 HG2 PRO 45 HG2 PRO 45 -2.803 -12.159 -19.446 290 HG3 PRO 45 HG3 PRO 45 -2.241 -10.506 -19.757 291 HD2 PRO 45 HD2 PRO 45 -0.544 -12.541 -19.200 292 HD3 PRO 45 HD3 PRO 45 -0.216 -10.865 -18.716 293 H LYS 46 H LYS 46 -3.812 -12.140 -14.643 294 HA LYS 46 HA LYS 46 -4.263 -14.923 -15.015 295 HB2 LYS 46 HB2 LYS 46 -5.691 -14.785 -13.090 296 HB3 LYS 46 HB3 LYS 46 -4.293 -13.755 -12.806 297 HG2 LYS 46 HG2 LYS 46 -5.851 -11.882 -13.753 298 HG3 LYS 46 HG3 LYS 46 -7.134 -13.005 -13.297 299 HD2 LYS 46 HD2 LYS 46 -4.998 -12.452 -11.306 300 HD3 LYS 46 HD3 LYS 46 -6.189 -11.185 -11.612 301 HE2 LYS 46 HE2 LYS 46 -7.239 -12.332 -9.932 302 HE3 LYS 46 HE3 LYS 46 -7.886 -13.179 -11.337 303 HZ1 LYS 46 HZ1 LYS 46 -7.193 -14.803 -9.781 304 HZ2 LYS 46 HZ2 LYS 46 -5.688 -14.064 -9.555 305 HZ3 LYS 46 HZ3 LYS 46 -6.048 -14.816 -11.027 306 H ALA 47 H ALA 47 -6.465 -15.886 -15.161 307 HA ALA 47 HA ALA 47 -8.102 -14.394 -17.106 308 HB1 ALA 47 HB1 ALA 47 -7.741 -16.132 -18.448 309 HB2 ALA 47 HB2 ALA 47 -7.035 -17.086 -17.142 310 HB3 ALA 47 HB3 ALA 47 -8.783 -17.065 -17.374 Start of MODEL 12 1 H1 SER 1 H SER 1 1.323 0.022 -0.394 2 HA SER 1 HA SER 1 1.550 -0.317 -3.144 3 HB2 SER 1 HB2 SER 1 2.412 1.620 -1.741 4 HB3 SER 1 HB3 SER 1 3.808 0.611 -1.364 5 HG SER 1 HG SER 1 3.087 1.841 -3.756 6 H LYS 2 H LYS 2 1.919 -2.280 -3.998 7 HA LYS 2 HA LYS 2 4.140 -3.884 -2.941 8 HB2 LYS 2 HB2 LYS 2 1.820 -4.882 -3.197 9 HB3 LYS 2 HB3 LYS 2 2.054 -4.762 -4.936 10 HG2 LYS 2 HG2 LYS 2 3.728 -6.372 -4.950 11 HG3 LYS 2 HG3 LYS 2 4.038 -6.202 -3.220 12 HD2 LYS 2 HD2 LYS 2 2.856 -8.164 -3.230 13 HD3 LYS 2 HD3 LYS 2 1.536 -7.008 -3.037 14 HE2 LYS 2 HE2 LYS 2 1.546 -7.055 -5.663 15 HE3 LYS 2 HE3 LYS 2 2.330 -8.614 -5.420 16 HZ1 LYS 2 HZ1 LYS 2 0.229 -8.682 -3.703 17 HZ2 LYS 2 HZ2 LYS 2 0.276 -9.410 -5.228 18 HZ3 LYS 2 HZ3 LYS 2 -0.414 -7.877 -5.046 19 H GLU 3 H GLU 3 5.958 -4.185 -4.077 20 HA GLU 3 HA GLU 3 6.135 -2.932 -6.716 21 HB2 GLU 3 HB2 GLU 3 8.290 -3.872 -4.816 22 HB3 GLU 3 HB3 GLU 3 8.592 -3.133 -6.382 23 HG2 GLU 3 HG2 GLU 3 7.150 -1.813 -4.095 24 HG3 GLU 3 HG3 GLU 3 8.842 -1.556 -4.519 25 H CYS 4 H CYS 4 5.009 -4.669 -7.783 26 HA CYS 4 HA CYS 4 6.491 -7.193 -7.965 27 HB2 CYS 4 HB2 CYS 4 4.472 -8.088 -9.041 28 HB3 CYS 4 HB3 CYS 4 4.102 -7.388 -7.469 29 H MET 5 H MET 5 5.912 -8.140 -10.387 30 HA MET 5 HA MET 5 6.972 -6.119 -12.252 31 HB2 MET 5 HB2 MET 5 7.525 -9.081 -12.402 32 HB3 MET 5 HB3 MET 5 8.300 -7.795 -13.318 33 HG2 MET 5 HG2 MET 5 9.355 -6.957 -11.308 34 HG3 MET 5 HG3 MET 5 8.526 -8.176 -10.342 35 HE1 MET 5 HE1 MET 5 9.038 -10.973 -12.360 36 HE2 MET 5 HE2 MET 5 10.180 -11.435 -11.098 37 HE3 MET 5 HE3 MET 5 8.693 -10.586 -10.674 38 H THR 6 H THR 6 6.513 -6.615 -14.564 39 HA THR 6 HA THR 6 3.731 -7.477 -14.822 40 HB THR 6 HB THR 6 4.068 -6.516 -17.206 41 HG1 THR 6 HG1 THR 6 5.753 -4.846 -17.138 42 HG21 THR 6 HG21 THR 6 4.084 -4.797 -14.726 43 HG22 THR 6 HG22 THR 6 2.679 -5.391 -15.610 44 HG23 THR 6 HG23 THR 6 3.738 -4.187 -16.343 45 H ASP 7 H ASP 7 3.314 -8.414 -17.172 46 HA ASP 7 HA ASP 7 4.494 -10.988 -17.203 47 HB2 ASP 7 HB2 ASP 7 3.153 -11.394 -19.179 48 HB3 ASP 7 HB3 ASP 7 2.193 -10.500 -18.002 49 H GLY 8 H GLY 8 5.825 -11.958 -18.792 50 HA2 GLY 8 HA2 GLY 8 7.174 -11.811 -20.783 51 HA3 GLY 8 HA3 GLY 8 7.311 -10.081 -20.509 52 H THR 9 H THR 9 7.727 -10.814 -17.548 53 HA THR 9 HA THR 9 10.624 -11.120 -17.794 54 HB THR 9 HB THR 9 8.947 -10.319 -15.409 55 HG1 THR 9 HG1 THR 9 9.146 -8.366 -16.188 56 HG21 THR 9 HG21 THR 9 11.947 -10.298 -15.765 57 HG22 THR 9 HG22 THR 9 11.042 -11.423 -14.753 58 HG23 THR 9 HG23 THR 9 11.064 -9.705 -14.360 59 H VAL 10 H VAL 10 11.663 -12.925 -17.244 60 HA VAL 10 HA VAL 10 10.428 -15.339 -16.729 61 HB VAL 10 HB VAL 10 13.222 -14.524 -15.913 62 HG11 VAL 10 HG11 VAL 10 12.001 -17.256 -16.289 63 HG12 VAL 10 HG12 VAL 10 13.715 -16.935 -16.019 64 HG13 VAL 10 HG13 VAL 10 12.535 -16.545 -14.766 65 HG21 VAL 10 HG21 VAL 10 13.949 -15.345 -18.025 66 HG22 VAL 10 HG22 VAL 10 12.347 -15.976 -18.403 67 HG23 VAL 10 HG23 VAL 10 12.616 -14.235 -18.333 68 H CYS 11 H CYS 11 9.785 -16.444 -14.953 69 HA CYS 11 HA CYS 11 10.399 -15.382 -12.301 70 HB2 CYS 11 HB2 CYS 11 8.115 -15.306 -11.595 71 HB3 CYS 11 HB3 CYS 11 8.228 -14.381 -13.088 72 H TYR 12 H TYR 12 10.029 -16.894 -10.583 73 HA TYR 12 HA TYR 12 9.551 -19.664 -11.416 74 HB2 TYR 12 HB2 TYR 12 12.049 -18.539 -10.293 75 HB3 TYR 12 HB3 TYR 12 11.512 -20.066 -9.602 76 HD1 TYR 12 HD1 TYR 12 11.186 -22.042 -11.124 77 HD2 TYR 12 HD2 TYR 12 13.056 -18.450 -12.430 78 HE1 TYR 12 HE1 TYR 12 12.160 -23.251 -13.031 79 HE2 TYR 12 HE2 TYR 12 14.035 -19.649 -14.342 80 HH TYR 12 HH TYR 12 13.775 -21.600 -15.621 81 H ILE 13 H ILE 13 8.352 -20.813 -10.016 82 HA ILE 13 HA ILE 13 7.038 -19.525 -7.878 83 HB ILE 13 HB ILE 13 7.226 -22.505 -8.307 84 HG12 ILE 13 HG12 ILE 13 6.554 -21.457 -10.398 85 HG13 ILE 13 HG13 ILE 13 5.167 -22.253 -9.662 86 HG21 ILE 13 HG21 ILE 13 5.913 -20.905 -6.376 87 HG22 ILE 13 HG22 ILE 13 4.680 -21.600 -7.426 88 HG23 ILE 13 HG23 ILE 13 5.825 -22.653 -6.594 89 HD11 ILE 13 HD11 ILE 13 4.116 -20.334 -10.091 90 HD12 ILE 13 HD12 ILE 13 4.952 -19.738 -8.656 91 HD13 ILE 13 HD13 ILE 13 5.623 -19.433 -10.258 92 H HIS 14 H HIS 14 9.994 -21.293 -8.065 93 HA HIS 14 HA HIS 14 10.150 -21.425 -5.130 94 HB2 HIS 14 HB2 HIS 14 10.525 -23.485 -6.750 95 HB3 HIS 14 HB3 HIS 14 12.141 -22.799 -6.884 96 HD1 HIS 14 HD1 HIS 14 13.625 -24.113 -5.416 97 HD2 HIS 14 HD2 HIS 14 9.935 -23.411 -3.642 98 HE1 HIS 14 HE1 HIS 14 13.787 -25.106 -3.111 99 H ASN 15 H ASN 15 10.544 -18.988 -6.605 100 HA ASN 15 HA ASN 15 13.361 -18.483 -5.916 101 HB2 ASN 15 HB2 ASN 15 11.891 -17.852 -8.423 102 HB3 ASN 15 HB3 ASN 15 13.013 -16.634 -7.823 103 HD21 ASN 15 HD21 ASN 15 12.921 -20.165 -8.201 104 HD22 ASN 15 HD22 ASN 15 14.499 -20.299 -8.892 105 H HIS 16 H HIS 16 10.582 -18.048 -4.670 106 HA HIS 16 HA HIS 16 9.488 -16.467 -3.445 107 HB2 HIS 16 HB2 HIS 16 12.350 -15.537 -3.259 108 HB3 HIS 16 HB3 HIS 16 11.049 -14.737 -2.381 109 HD1 HIS 16 HD1 HIS 16 9.480 -16.953 -1.191 110 HD2 HIS 16 HD2 HIS 16 13.622 -17.104 -1.474 111 HE1 HIS 16 HE1 HIS 16 10.213 -18.602 0.559 112 H ASN 17 H ASN 17 9.648 -16.049 -6.334 113 HA ASN 17 HA ASN 17 9.844 -13.171 -6.660 114 HB2 ASN 17 HB2 ASN 17 9.488 -15.503 -8.497 115 HB3 ASN 17 HB3 ASN 17 8.980 -13.909 -9.049 116 HD21 ASN 17 HD21 ASN 17 10.825 -12.244 -8.074 117 HD22 ASN 17 HD22 ASN 17 12.392 -12.624 -8.694 118 H ASP 18 H ASP 18 8.192 -11.809 -6.498 119 HA ASP 18 HA ASP 18 5.470 -12.925 -6.421 120 HB2 ASP 18 HB2 ASP 18 6.294 -10.239 -5.328 121 HB3 ASP 18 HB3 ASP 18 4.840 -11.164 -4.964 122 H CYS 19 H CYS 19 4.529 -12.710 -8.348 123 HA CYS 19 HA CYS 19 4.877 -10.168 -9.796 124 HB2 CYS 19 HB2 CYS 19 4.745 -12.983 -10.684 125 HB3 CYS 19 HB3 CYS 19 3.841 -11.837 -11.669 126 H CYS 20 H CYS 20 3.141 -8.935 -10.187 127 HA CYS 20 HA CYS 20 0.746 -9.240 -8.849 128 HB2 CYS 20 HB2 CYS 20 1.651 -7.589 -11.153 129 HB3 CYS 20 HB3 CYS 20 -0.081 -7.686 -10.858 130 H GLY 21 H GLY 21 1.741 -10.574 -11.906 131 HA2 GLY 21 HA2 GLY 21 -0.989 -11.544 -12.416 132 HA3 GLY 21 HA3 GLY 21 0.318 -11.507 -13.590 133 H SER 22 H SER 22 -0.967 -13.783 -13.550 134 HA SER 22 HA SER 22 0.371 -15.612 -11.700 135 HB2 SER 22 HB2 SER 22 -2.142 -15.644 -13.222 136 HB3 SER 22 HB3 SER 22 -1.271 -17.177 -13.248 137 HG SER 22 HG SER 22 -1.142 -16.876 -10.879 138 H CYS 23 H CYS 23 1.871 -17.072 -12.309 139 HA CYS 23 HA CYS 23 3.214 -16.717 -14.787 140 HB2 CYS 23 HB2 CYS 23 3.505 -18.645 -12.501 141 HB3 CYS 23 HB3 CYS 23 4.439 -18.860 -13.979 142 H LEU 24 H LEU 24 2.932 -17.696 -16.684 143 HA LEU 24 HA LEU 24 1.141 -20.034 -16.781 144 HB2 LEU 24 HB2 LEU 24 1.564 -17.787 -18.733 145 HB3 LEU 24 HB3 LEU 24 0.754 -19.288 -19.176 146 HG LEU 24 HG LEU 24 -0.179 -17.337 -17.072 147 HD11 LEU 24 HD11 LEU 24 -0.816 -17.721 -19.948 148 HD12 LEU 24 HD12 LEU 24 -0.721 -16.240 -18.996 149 HD13 LEU 24 HD13 LEU 24 -2.127 -17.293 -18.848 150 HD21 LEU 24 HD21 LEU 24 -2.172 -19.176 -17.943 151 HD22 LEU 24 HD22 LEU 24 -1.518 -18.936 -16.322 152 HD23 LEU 24 HD23 LEU 24 -0.752 -20.083 -17.420 153 H CYS 25 H CYS 25 2.267 -21.836 -17.083 154 HA CYS 25 HA CYS 25 4.827 -21.794 -18.436 155 HB2 CYS 25 HB2 CYS 25 3.320 -24.184 -17.361 156 HB3 CYS 25 HB3 CYS 25 5.035 -24.096 -17.752 157 H SER 26 H SER 26 5.185 -22.315 -20.496 158 HA SER 26 HA SER 26 2.936 -22.989 -22.186 159 HB2 SER 26 HB2 SER 26 4.995 -21.377 -22.652 160 HB3 SER 26 HB3 SER 26 5.725 -22.868 -23.248 161 HG SER 26 HG SER 26 4.672 -22.352 -25.003 162 H ASN 27 H ASN 27 2.572 -24.889 -23.218 163 HA ASN 27 HA ASN 27 4.179 -27.171 -22.343 164 HB2 ASN 27 HB2 ASN 27 2.321 -28.545 -22.864 165 HB3 ASN 27 HB3 ASN 27 1.636 -27.102 -22.122 166 HD21 ASN 27 HD21 ASN 27 1.024 -29.229 -24.394 167 HD22 ASN 27 HD22 ASN 27 0.236 -28.249 -25.578 168 H GLY 28 H GLY 28 5.067 -25.282 -24.435 169 HA2 GLY 28 HA2 GLY 28 4.783 -26.207 -27.024 170 HA3 GLY 28 HA3 GLY 28 6.234 -25.429 -26.409 171 HA PRO 29 HA PRO 29 6.916 -30.001 -27.510 172 HB2 PRO 29 HB2 PRO 29 8.367 -29.629 -29.774 173 HB3 PRO 29 HB3 PRO 29 6.609 -29.805 -29.777 174 HG2 PRO 29 HG2 PRO 29 8.264 -27.315 -29.920 175 HG3 PRO 29 HG3 PRO 29 6.813 -27.748 -30.843 176 HD2 PRO 29 HD2 PRO 29 6.739 -26.085 -28.707 177 HD3 PRO 29 HD3 PRO 29 5.393 -27.165 -29.125 178 H ILE 30 H ILE 30 8.677 -30.961 -26.676 179 HA ILE 30 HA ILE 30 11.108 -29.329 -26.344 180 HB ILE 30 HB ILE 30 10.246 -31.590 -24.545 181 HG12 ILE 30 HG12 ILE 30 8.639 -29.716 -24.432 182 HG13 ILE 30 HG13 ILE 30 9.550 -29.894 -22.936 183 HG21 ILE 30 HG21 ILE 30 12.486 -29.609 -24.525 184 HG22 ILE 30 HG22 ILE 30 11.901 -30.313 -23.018 185 HG23 ILE 30 HG23 ILE 30 12.537 -31.356 -24.291 186 HD11 ILE 30 HD11 ILE 30 10.986 -28.042 -23.579 187 HD12 ILE 30 HD12 ILE 30 10.101 -27.874 -25.096 188 HD13 ILE 30 HD13 ILE 30 9.290 -27.559 -23.562 189 H ALA 31 H ALA 31 12.254 -30.009 -28.110 190 HA ALA 31 HA ALA 31 12.802 -32.897 -28.310 191 HB1 ALA 31 HB1 ALA 31 13.338 -32.542 -30.643 192 HB2 ALA 31 HB2 ALA 31 11.728 -31.915 -30.294 193 HB3 ALA 31 HB3 ALA 31 13.089 -30.806 -30.462 194 H ARG 32 H ARG 32 14.234 -29.687 -28.214 195 HA ARG 32 HA ARG 32 16.780 -30.894 -27.444 196 HB2 ARG 32 HB2 ARG 32 17.973 -29.226 -28.935 197 HB3 ARG 32 HB3 ARG 32 17.180 -30.564 -29.756 198 HG2 ARG 32 HG2 ARG 32 15.607 -29.228 -30.719 199 HG3 ARG 32 HG3 ARG 32 15.647 -28.048 -29.408 200 HD2 ARG 32 HD2 ARG 32 16.713 -26.851 -31.032 201 HD3 ARG 32 HD3 ARG 32 18.100 -27.661 -30.305 202 HE ARG 32 HE ARG 32 18.430 -28.717 -32.294 203 HH11 ARG 32 HH11 ARG 32 15.095 -27.732 -32.114 204 HH12 ARG 32 HH12 ARG 32 14.715 -28.268 -33.717 205 HH21 ARG 32 HH21 ARG 32 17.941 -29.426 -34.406 206 HH22 ARG 32 HH22 ARG 32 16.335 -29.232 -35.020 207 HA PRO 33 HA PRO 33 15.490 -27.288 -24.813 208 HB2 PRO 33 HB2 PRO 33 15.953 -28.544 -22.452 209 HB3 PRO 33 HB3 PRO 33 14.417 -28.664 -23.320 210 HG2 PRO 33 HG2 PRO 33 16.708 -30.590 -23.248 211 HG3 PRO 33 HG3 PRO 33 14.968 -30.918 -23.156 212 HD2 PRO 33 HD2 PRO 33 16.391 -31.237 -25.437 213 HD3 PRO 33 HD3 PRO 33 14.686 -30.743 -25.437 214 H TRP 34 H TRP 34 18.277 -29.288 -25.148 215 HA TRP 34 HA TRP 34 19.998 -27.919 -23.351 216 HB2 TRP 34 HB2 TRP 34 20.425 -29.802 -25.650 217 HB3 TRP 34 HB3 TRP 34 21.798 -28.987 -24.906 218 HD1 TRP 34 HD1 TRP 34 18.759 -31.025 -23.570 219 HE1 TRP 34 HE1 TRP 34 19.625 -32.600 -21.727 220 HE3 TRP 34 HE3 TRP 34 23.692 -29.682 -23.605 221 HZ2 TRP 34 HZ2 TRP 34 22.074 -33.194 -20.456 222 HZ3 TRP 34 HZ3 TRP 34 25.230 -30.802 -22.044 223 HH2 TRP 34 HH2 TRP 34 24.436 -32.521 -20.502 224 H GLU 35 H GLU 35 18.989 -27.361 -26.636 225 HA GLU 35 HA GLU 35 20.987 -25.242 -26.959 226 HB2 GLU 35 HB2 GLU 35 19.095 -26.561 -28.907 227 HB3 GLU 35 HB3 GLU 35 20.072 -25.159 -29.317 228 HG2 GLU 35 HG2 GLU 35 22.101 -26.407 -28.904 229 HG3 GLU 35 HG3 GLU 35 21.160 -27.806 -28.386 230 H MET 36 H MET 36 17.548 -25.782 -26.631 231 HA MET 36 HA MET 36 17.160 -22.961 -26.082 232 HB2 MET 36 HB2 MET 36 15.137 -22.928 -27.634 233 HB3 MET 36 HB3 MET 36 16.720 -22.842 -28.395 234 HG2 MET 36 HG2 MET 36 16.586 -25.278 -28.831 235 HG3 MET 36 HG3 MET 36 14.947 -25.262 -28.187 236 HE1 MET 36 HE1 MET 36 17.232 -24.772 -31.134 237 HE2 MET 36 HE2 MET 36 16.375 -23.698 -32.240 238 HE3 MET 36 HE3 MET 36 17.097 -23.052 -30.764 239 H MET 37 H MET 37 16.351 -23.183 -24.085 240 HA MET 37 HA MET 37 14.536 -25.335 -23.427 241 HB2 MET 37 HB2 MET 37 16.313 -24.483 -21.865 242 HB3 MET 37 HB3 MET 37 15.375 -23.006 -21.697 243 HG2 MET 37 HG2 MET 37 14.833 -24.313 -19.832 244 HG3 MET 37 HG3 MET 37 13.461 -24.462 -20.929 245 HE1 MET 37 HE1 MET 37 13.494 -27.877 -19.198 246 HE2 MET 37 HE2 MET 37 13.091 -26.171 -18.997 247 HE3 MET 37 HE3 MET 37 12.400 -27.089 -20.336 248 H VAL 38 H VAL 38 12.623 -25.007 -24.496 249 HA VAL 38 HA VAL 38 11.262 -22.435 -24.169 250 HB VAL 38 HB VAL 38 9.633 -23.317 -25.813 251 HG11 VAL 38 HG11 VAL 38 11.129 -22.068 -26.968 252 HG12 VAL 38 HG12 VAL 38 12.518 -22.975 -26.368 253 HG13 VAL 38 HG13 VAL 38 11.531 -23.634 -27.673 254 HG21 VAL 38 HG21 VAL 38 10.402 -25.770 -25.092 255 HG22 VAL 38 HG22 VAL 38 9.675 -25.425 -26.662 256 HG23 VAL 38 HG23 VAL 38 11.426 -25.569 -26.514 257 H GLY 39 H GLY 39 11.589 -24.503 -22.024 258 HA2 GLY 39 HA2 GLY 39 8.729 -25.056 -21.531 259 HA3 GLY 39 HA3 GLY 39 10.043 -26.042 -20.908 260 H ASN 40 H ASN 40 10.152 -22.547 -20.926 261 HA ASN 40 HA ASN 40 10.315 -22.583 -18.012 262 HB2 ASN 40 HB2 ASN 40 10.959 -20.461 -20.065 263 HB3 ASN 40 HB3 ASN 40 11.035 -20.180 -18.328 264 HD21 ASN 40 HD21 ASN 40 12.974 -20.365 -17.500 265 HD22 ASN 40 HD22 ASN 40 14.244 -21.383 -18.081 266 H CYS 41 H CYS 41 9.280 -20.717 -16.842 267 HA CYS 41 HA CYS 41 6.616 -20.155 -17.972 268 HB2 CYS 41 HB2 CYS 41 7.232 -20.470 -15.032 269 HB3 CYS 41 HB3 CYS 41 5.647 -20.359 -15.792 270 H MET 42 H MET 42 6.009 -18.081 -18.065 271 HA MET 42 HA MET 42 7.639 -16.105 -16.607 272 HB2 MET 42 HB2 MET 42 6.711 -16.200 -19.425 273 HB3 MET 42 HB3 MET 42 6.674 -14.630 -18.633 274 HG2 MET 42 HG2 MET 42 8.747 -14.912 -19.826 275 HG3 MET 42 HG3 MET 42 9.050 -14.853 -18.091 276 HE1 MET 42 HE1 MET 42 9.702 -16.087 -21.173 277 HE2 MET 42 HE2 MET 42 11.019 -17.202 -20.805 278 HE3 MET 42 HE3 MET 42 9.424 -17.829 -21.224 279 H CYS 43 H CYS 43 6.471 -13.983 -16.299 280 HA CYS 43 HA CYS 43 4.018 -14.475 -14.937 281 HB2 CYS 43 HB2 CYS 43 5.500 -11.922 -15.577 282 HB3 CYS 43 HB3 CYS 43 4.034 -11.975 -14.604 283 H GLY 44 H GLY 44 1.946 -13.681 -15.394 284 HA2 GLY 44 HA2 GLY 44 1.442 -12.353 -17.921 285 HA3 GLY 44 HA3 GLY 44 0.869 -14.013 -17.838 286 HA PRO 45 HA PRO 45 -2.191 -10.887 -15.964 287 HB2 PRO 45 HB2 PRO 45 -4.011 -10.868 -17.977 288 HB3 PRO 45 HB3 PRO 45 -2.666 -9.726 -17.888 289 HG2 PRO 45 HG2 PRO 45 -2.916 -12.238 -19.497 290 HG3 PRO 45 HG3 PRO 45 -2.269 -10.661 -19.981 291 HD2 PRO 45 HD2 PRO 45 -0.677 -12.739 -19.291 292 HD3 PRO 45 HD3 PRO 45 -0.229 -11.048 -18.980 293 H LYS 46 H LYS 46 -3.805 -11.670 -14.731 294 HA LYS 46 HA LYS 46 -4.415 -14.457 -14.809 295 HB2 LYS 46 HB2 LYS 46 -4.312 -12.888 -12.762 296 HB3 LYS 46 HB3 LYS 46 -5.943 -12.412 -13.217 297 HG2 LYS 46 HG2 LYS 46 -6.837 -14.463 -12.692 298 HG3 LYS 46 HG3 LYS 46 -5.301 -15.306 -12.905 299 HD2 LYS 46 HD2 LYS 46 -5.504 -15.310 -10.610 300 HD3 LYS 46 HD3 LYS 46 -4.554 -13.845 -10.868 301 HE2 LYS 46 HE2 LYS 46 -7.533 -13.673 -10.821 302 HE3 LYS 46 HE3 LYS 46 -6.652 -13.816 -9.301 303 HZ1 LYS 46 HZ1 LYS 46 -6.969 -11.549 -10.982 304 HZ2 LYS 46 HZ2 LYS 46 -5.328 -11.882 -10.736 305 HZ3 LYS 46 HZ3 LYS 46 -6.349 -11.636 -9.410 306 H ALA 47 H ALA 47 -5.660 -15.251 -16.381 307 HA ALA 47 HA ALA 47 -7.962 -13.702 -17.320 308 HB1 ALA 47 HB1 ALA 47 -6.761 -16.220 -18.465 309 HB2 ALA 47 HB2 ALA 47 -8.026 -15.233 -19.199 310 HB3 ALA 47 HB3 ALA 47 -6.398 -14.579 -19.003 Start of MODEL 13 1 H1 SER 1 H SER 1 3.379 -1.436 0.117 2 HA SER 1 HA SER 1 3.500 0.416 -2.170 3 HB2 SER 1 HB2 SER 1 5.532 0.156 0.059 4 HB3 SER 1 HB3 SER 1 5.696 1.189 -1.360 5 HG SER 1 HG SER 1 4.325 1.622 0.943 6 H LYS 2 H LYS 2 3.232 -2.433 -2.253 7 HA LYS 2 HA LYS 2 5.777 -3.634 -2.746 8 HB2 LYS 2 HB2 LYS 2 3.827 -4.960 -2.059 9 HB3 LYS 2 HB3 LYS 2 3.004 -4.535 -3.554 10 HG2 LYS 2 HG2 LYS 2 3.846 -6.713 -3.854 11 HG3 LYS 2 HG3 LYS 2 4.903 -5.646 -4.780 12 HD2 LYS 2 HD2 LYS 2 6.344 -7.129 -3.649 13 HD3 LYS 2 HD3 LYS 2 6.414 -5.621 -2.735 14 HE2 LYS 2 HE2 LYS 2 5.226 -6.483 -0.963 15 HE3 LYS 2 HE3 LYS 2 4.425 -7.701 -1.955 16 HZ1 LYS 2 HZ1 LYS 2 6.058 -9.161 -1.607 17 HZ2 LYS 2 HZ2 LYS 2 6.509 -8.171 -0.312 18 HZ3 LYS 2 HZ3 LYS 2 7.284 -8.012 -1.807 19 H GLU 3 H GLU 3 6.891 -3.862 -4.612 20 HA GLU 3 HA GLU 3 5.739 -2.599 -7.013 21 HB2 GLU 3 HB2 GLU 3 8.683 -2.891 -6.429 22 HB3 GLU 3 HB3 GLU 3 7.919 -1.890 -7.656 23 HG2 GLU 3 HG2 GLU 3 6.997 -0.443 -5.952 24 HG3 GLU 3 HG3 GLU 3 7.666 -1.473 -4.687 25 H CYS 4 H CYS 4 4.796 -4.707 -7.492 26 HA CYS 4 HA CYS 4 6.424 -6.984 -7.979 27 HB2 CYS 4 HB2 CYS 4 4.422 -7.907 -9.088 28 HB3 CYS 4 HB3 CYS 4 4.043 -7.216 -7.513 29 H MET 5 H MET 5 5.869 -7.985 -10.392 30 HA MET 5 HA MET 5 6.985 -6.011 -12.273 31 HB2 MET 5 HB2 MET 5 7.444 -8.994 -12.339 32 HB3 MET 5 HB3 MET 5 8.226 -7.778 -13.338 33 HG2 MET 5 HG2 MET 5 9.317 -6.851 -11.362 34 HG3 MET 5 HG3 MET 5 8.531 -8.067 -10.359 35 HE1 MET 5 HE1 MET 5 8.721 -10.469 -10.638 36 HE2 MET 5 HE2 MET 5 9.022 -10.901 -12.321 37 HE3 MET 5 HE3 MET 5 10.208 -11.308 -11.080 38 H THR 6 H THR 6 6.528 -6.509 -14.585 39 HA THR 6 HA THR 6 3.716 -7.251 -14.863 40 HB THR 6 HB THR 6 4.071 -6.348 -17.237 41 HG1 THR 6 HG1 THR 6 6.291 -6.297 -17.373 42 HG21 THR 6 HG21 THR 6 4.633 -4.094 -15.434 43 HG22 THR 6 HG22 THR 6 3.305 -5.138 -14.926 44 HG23 THR 6 HG23 THR 6 3.266 -4.371 -16.513 45 H ASP 7 H ASP 7 3.280 -8.223 -17.195 46 HA ASP 7 HA ASP 7 4.351 -10.851 -17.149 47 HB2 ASP 7 HB2 ASP 7 2.989 -11.248 -19.122 48 HB3 ASP 7 HB3 ASP 7 2.066 -10.320 -17.943 49 H GLY 8 H GLY 8 5.632 -11.914 -18.720 50 HA2 GLY 8 HA2 GLY 8 6.974 -11.880 -20.718 51 HA3 GLY 8 HA3 GLY 8 7.168 -10.146 -20.505 52 H THR 9 H THR 9 7.583 -10.792 -17.523 53 HA THR 9 HA THR 9 10.468 -11.147 -17.767 54 HB THR 9 HB THR 9 8.792 -10.349 -15.379 55 HG1 THR 9 HG1 THR 9 9.549 -8.284 -15.841 56 HG21 THR 9 HG21 THR 9 10.916 -9.757 -14.321 57 HG22 THR 9 HG22 THR 9 11.793 -10.366 -15.725 58 HG23 THR 9 HG23 THR 9 10.867 -11.475 -14.713 59 H VAL 10 H VAL 10 11.400 -13.047 -17.422 60 HA VAL 10 HA VAL 10 10.107 -15.398 -16.777 61 HB VAL 10 HB VAL 10 13.011 -14.728 -16.268 62 HG11 VAL 10 HG11 VAL 10 12.821 -17.409 -16.889 63 HG12 VAL 10 HG12 VAL 10 13.073 -16.729 -15.281 64 HG13 VAL 10 HG13 VAL 10 11.444 -17.136 -15.823 65 HG21 VAL 10 HG21 VAL 10 12.047 -14.441 -18.622 66 HG22 VAL 10 HG22 VAL 10 13.482 -15.450 -18.446 67 HG23 VAL 10 HG23 VAL 10 11.896 -16.199 -18.637 68 H CYS 11 H CYS 11 9.545 -16.437 -14.948 69 HA CYS 11 HA CYS 11 10.468 -15.370 -12.375 70 HB2 CYS 11 HB2 CYS 11 8.200 -15.494 -11.458 71 HB3 CYS 11 HB3 CYS 11 8.265 -14.378 -12.819 72 H TYR 12 H TYR 12 9.930 -16.875 -10.550 73 HA TYR 12 HA TYR 12 9.667 -19.671 -11.366 74 HB2 TYR 12 HB2 TYR 12 12.089 -18.417 -10.203 75 HB3 TYR 12 HB3 TYR 12 11.621 -19.979 -9.542 76 HD1 TYR 12 HD2 TYR 12 12.600 -18.213 -12.638 77 HD2 TYR 12 HD1 TYR 12 11.954 -21.983 -10.773 78 HE1 TYR 12 HE2 TYR 12 13.668 -19.334 -14.548 79 HE2 TYR 12 HE1 TYR 12 13.023 -23.115 -12.678 80 HH TYR 12 HH TYR 12 14.964 -21.869 -14.704 81 H ILE 13 H ILE 13 8.312 -20.716 -10.070 82 HA ILE 13 HA ILE 13 7.038 -19.489 -7.891 83 HB ILE 13 HB ILE 13 7.176 -22.457 -8.425 84 HG12 ILE 13 HG12 ILE 13 6.498 -21.308 -10.460 85 HG13 ILE 13 HG13 ILE 13 5.107 -22.116 -9.745 86 HG21 ILE 13 HG21 ILE 13 6.240 -21.972 -6.272 87 HG22 ILE 13 HG22 ILE 13 5.188 -20.734 -6.958 88 HG23 ILE 13 HG23 ILE 13 4.929 -22.431 -7.358 89 HD11 ILE 13 HD11 ILE 13 5.523 -19.323 -10.329 90 HD12 ILE 13 HD12 ILE 13 4.036 -20.189 -9.943 91 HD13 ILE 13 HD13 ILE 13 5.061 -19.575 -8.646 92 H HIS 14 H HIS 14 9.971 -21.283 -8.101 93 HA HIS 14 HA HIS 14 10.098 -21.488 -5.167 94 HB2 HIS 14 HB2 HIS 14 10.414 -23.538 -6.798 95 HB3 HIS 14 HB3 HIS 14 12.046 -22.894 -6.949 96 HD1 HIS 14 HD1 HIS 14 13.505 -24.280 -5.520 97 HD2 HIS 14 HD2 HIS 14 9.875 -23.457 -3.675 98 HE1 HIS 14 HE1 HIS 14 13.673 -25.292 -3.223 99 H ASN 15 H ASN 15 10.579 -19.047 -6.631 100 HA ASN 15 HA ASN 15 13.399 -18.630 -5.897 101 HB2 ASN 15 HB2 ASN 15 13.058 -18.689 -8.387 102 HB3 ASN 15 HB3 ASN 15 12.015 -17.279 -8.221 103 HD21 ASN 15 HD21 ASN 15 15.104 -18.172 -6.728 104 HD22 ASN 15 HD22 ASN 15 15.950 -16.750 -7.228 105 H HIS 16 H HIS 16 10.627 -18.120 -4.680 106 HA HIS 16 HA HIS 16 9.563 -16.512 -3.462 107 HB2 HIS 16 HB2 HIS 16 12.451 -15.684 -3.243 108 HB3 HIS 16 HB3 HIS 16 11.173 -14.814 -2.398 109 HD1 HIS 16 HD1 HIS 16 12.521 -15.636 -0.220 110 HD2 HIS 16 HD2 HIS 16 10.572 -18.588 -2.399 111 HE1 HIS 16 HE1 HIS 16 12.378 -17.621 1.316 112 H ASN 17 H ASN 17 9.426 -16.097 -6.226 113 HA ASN 17 HA ASN 17 9.793 -13.212 -6.576 114 HB2 ASN 17 HB2 ASN 17 9.574 -15.536 -8.408 115 HB3 ASN 17 HB3 ASN 17 8.880 -14.022 -8.977 116 HD21 ASN 17 HD21 ASN 17 11.725 -14.629 -6.968 117 HD22 ASN 17 HD22 ASN 17 12.855 -13.877 -8.034 118 H ASP 18 H ASP 18 8.142 -11.848 -6.416 119 HA ASP 18 HA ASP 18 5.416 -12.959 -6.389 120 HB2 ASP 18 HB2 ASP 18 6.674 -10.626 -4.973 121 HB3 ASP 18 HB3 ASP 18 4.931 -10.690 -5.215 122 H CYS 19 H CYS 19 4.500 -12.717 -8.324 123 HA CYS 19 HA CYS 19 4.874 -10.158 -9.737 124 HB2 CYS 19 HB2 CYS 19 4.747 -12.961 -10.661 125 HB3 CYS 19 HB3 CYS 19 3.858 -11.801 -11.643 126 H CYS 20 H CYS 20 3.144 -8.924 -10.168 127 HA CYS 20 HA CYS 20 0.733 -9.227 -8.852 128 HB2 CYS 20 HB2 CYS 20 1.681 -7.563 -11.126 129 HB3 CYS 20 HB3 CYS 20 -0.060 -7.669 -10.882 130 H GLY 21 H GLY 21 1.766 -10.562 -11.894 131 HA2 GLY 21 HA2 GLY 21 -0.960 -11.522 -12.443 132 HA3 GLY 21 HA3 GLY 21 0.360 -11.482 -13.603 133 H SER 22 H SER 22 -0.930 -13.757 -13.585 134 HA SER 22 HA SER 22 0.387 -15.593 -11.728 135 HB2 SER 22 HB2 SER 22 -2.083 -15.661 -13.357 136 HB3 SER 22 HB3 SER 22 -1.222 -17.193 -13.210 137 HG SER 22 HG SER 22 -1.510 -17.165 -11.050 138 H CYS 23 H CYS 23 1.893 -17.051 -12.326 139 HA CYS 23 HA CYS 23 3.258 -16.690 -14.793 140 HB2 CYS 23 HB2 CYS 23 3.529 -18.635 -12.516 141 HB3 CYS 23 HB3 CYS 23 4.486 -18.822 -13.981 142 H LEU 24 H LEU 24 2.946 -17.633 -16.699 143 HA LEU 24 HA LEU 24 1.154 -19.967 -16.816 144 HB2 LEU 24 HB2 LEU 24 1.669 -17.758 -18.791 145 HB3 LEU 24 HB3 LEU 24 0.809 -19.237 -19.211 146 HG LEU 24 HG LEU 24 -0.064 -17.166 -17.198 147 HD11 LEU 24 HD11 LEU 24 -2.041 -17.264 -18.972 148 HD12 LEU 24 HD12 LEU 24 -0.711 -17.716 -20.037 149 HD13 LEU 24 HD13 LEU 24 -0.656 -16.187 -19.159 150 HD21 LEU 24 HD21 LEU 24 -0.742 -19.939 -17.450 151 HD22 LEU 24 HD22 LEU 24 -2.148 -18.943 -17.827 152 HD23 LEU 24 HD23 LEU 24 -1.318 -18.750 -16.282 153 H CYS 25 H CYS 25 2.198 -21.805 -17.157 154 HA CYS 25 HA CYS 25 4.808 -21.814 -18.429 155 HB2 CYS 25 HB2 CYS 25 3.233 -24.170 -17.376 156 HB3 CYS 25 HB3 CYS 25 4.956 -24.116 -17.733 157 H SER 26 H SER 26 5.196 -22.349 -20.479 158 HA SER 26 HA SER 26 2.954 -23.044 -22.188 159 HB2 SER 26 HB2 SER 26 4.947 -21.347 -22.636 160 HB3 SER 26 HB3 SER 26 5.735 -22.801 -23.249 161 HG SER 26 HG SER 26 3.633 -21.353 -24.291 162 H ASN 27 H ASN 27 2.414 -25.125 -22.286 163 HA ASN 27 HA ASN 27 4.577 -27.117 -22.490 164 HB2 ASN 27 HB2 ASN 27 2.912 -27.106 -20.458 165 HB3 ASN 27 HB3 ASN 27 1.812 -27.860 -21.608 166 HD21 ASN 27 HD21 ASN 27 3.914 -28.511 -19.237 167 HD22 ASN 27 HD22 ASN 27 4.434 -30.091 -19.705 168 H GLY 28 H GLY 28 3.249 -25.564 -24.633 169 HA2 GLY 28 HA2 GLY 28 1.334 -26.973 -26.047 170 HA3 GLY 28 HA3 GLY 28 2.566 -25.964 -26.789 171 HA PRO 29 HA PRO 29 3.107 -30.525 -27.903 172 HB2 PRO 29 HB2 PRO 29 2.544 -30.291 -30.548 173 HB3 PRO 29 HB3 PRO 29 1.310 -30.637 -29.330 174 HG2 PRO 29 HG2 PRO 29 2.011 -28.033 -30.629 175 HG3 PRO 29 HG3 PRO 29 0.412 -28.715 -30.282 176 HD2 PRO 29 HD2 PRO 29 1.557 -26.821 -28.723 177 HD3 PRO 29 HD3 PRO 29 0.477 -28.069 -28.071 178 H ILE 30 H ILE 30 4.854 -31.378 -29.101 179 HA ILE 30 HA ILE 30 6.719 -29.363 -30.174 180 HB ILE 30 HB ILE 30 8.569 -30.868 -29.406 181 HG12 ILE 30 HG12 ILE 30 7.149 -32.137 -27.268 182 HG13 ILE 30 HG13 ILE 30 6.383 -32.574 -28.791 183 HG21 ILE 30 HG21 ILE 30 8.083 -28.869 -28.173 184 HG22 ILE 30 HG22 ILE 30 6.754 -29.660 -27.328 185 HG23 ILE 30 HG23 ILE 30 8.416 -30.165 -27.025 186 HD11 ILE 30 HD11 ILE 30 7.928 -34.178 -28.866 187 HD12 ILE 30 HD12 ILE 30 9.022 -32.894 -29.379 188 HD13 ILE 30 HD13 ILE 30 8.959 -33.373 -27.684 189 H ALA 31 H ALA 31 7.067 -29.630 -32.268 190 HA ALA 31 HA ALA 31 6.691 -32.292 -33.450 191 HB1 ALA 31 HB1 ALA 31 6.102 -31.283 -35.445 192 HB2 ALA 31 HB2 ALA 31 5.445 -30.162 -34.252 193 HB3 ALA 31 HB3 ALA 31 6.965 -29.792 -35.066 194 H ARG 32 H ARG 32 9.021 -29.746 -32.964 195 HA ARG 32 HA ARG 32 11.140 -31.519 -33.858 196 HB2 ARG 32 HB2 ARG 32 10.517 -28.885 -35.171 197 HB3 ARG 32 HB3 ARG 32 12.146 -29.547 -35.179 198 HG2 ARG 32 HG2 ARG 32 11.001 -31.672 -36.131 199 HG3 ARG 32 HG3 ARG 32 9.684 -30.565 -36.522 200 HD2 ARG 32 HD2 ARG 32 11.471 -29.109 -37.620 201 HD3 ARG 32 HD3 ARG 32 12.524 -30.518 -37.497 202 HE ARG 32 HE ARG 32 10.118 -31.287 -38.715 203 HH11 ARG 32 HH11 ARG 32 12.938 -29.349 -39.355 204 HH12 ARG 32 HH12 ARG 32 12.866 -29.578 -41.071 205 HH21 ARG 32 HH21 ARG 32 10.013 -31.597 -40.973 206 HH22 ARG 32 HH22 ARG 32 11.201 -30.856 -41.990 207 HA PRO 33 HA PRO 33 12.088 -28.964 -30.090 208 HB2 PRO 33 HB2 PRO 33 12.928 -31.063 -28.587 209 HB3 PRO 33 HB3 PRO 33 11.233 -30.569 -28.685 210 HG2 PRO 33 HG2 PRO 33 12.650 -32.775 -30.130 211 HG3 PRO 33 HG3 PRO 33 11.049 -32.784 -29.367 212 HD2 PRO 33 HD2 PRO 33 11.388 -32.502 -32.038 213 HD3 PRO 33 HD3 PRO 33 10.049 -31.734 -31.158 214 H TRP 34 H TRP 34 13.748 -30.986 -32.260 215 HA TRP 34 HA TRP 34 16.340 -30.923 -31.115 216 HB2 TRP 34 HB2 TRP 34 15.321 -31.408 -33.908 217 HB3 TRP 34 HB3 TRP 34 17.045 -31.383 -33.547 218 HD1 TRP 34 HD1 TRP 34 14.104 -33.093 -31.660 219 HE1 TRP 34 HE1 TRP 34 14.719 -35.570 -31.329 220 HE3 TRP 34 HE3 TRP 34 18.599 -33.146 -34.094 221 HZ2 TRP 34 HZ2 TRP 34 16.830 -37.316 -32.009 222 HZ3 TRP 34 HZ3 TRP 34 19.853 -35.260 -34.209 223 HH2 TRP 34 HH2 TRP 34 18.985 -37.300 -33.187 224 H GLU 35 H GLU 35 14.495 -28.656 -32.982 225 HA GLU 35 HA GLU 35 16.787 -27.034 -33.680 226 HB2 GLU 35 HB2 GLU 35 15.267 -25.627 -34.831 227 HB3 GLU 35 HB3 GLU 35 14.709 -27.271 -35.108 228 HG2 GLU 35 HG2 GLU 35 13.255 -26.698 -32.947 229 HG3 GLU 35 HG3 GLU 35 13.456 -25.069 -33.589 230 H MET 36 H MET 36 14.278 -27.101 -31.246 231 HA MET 36 HA MET 36 15.708 -25.476 -29.456 232 HB2 MET 36 HB2 MET 36 14.180 -23.504 -29.423 233 HB3 MET 36 HB3 MET 36 15.157 -23.621 -30.880 234 HG2 MET 36 HG2 MET 36 13.278 -23.351 -32.019 235 HG3 MET 36 HG3 MET 36 12.854 -24.990 -31.532 236 HE1 MET 36 HE1 MET 36 9.823 -24.839 -30.026 237 HE2 MET 36 HE2 MET 36 9.698 -23.868 -31.492 238 HE3 MET 36 HE3 MET 36 10.806 -25.241 -31.435 239 H MET 37 H MET 37 15.127 -26.334 -27.582 240 HA MET 37 HA MET 37 12.339 -27.217 -27.239 241 HB2 MET 37 HB2 MET 37 14.106 -28.977 -27.099 242 HB3 MET 37 HB3 MET 37 14.778 -28.136 -25.708 243 HG2 MET 37 HG2 MET 37 12.416 -28.393 -24.702 244 HG3 MET 37 HG3 MET 37 12.197 -29.620 -25.947 245 HE1 MET 37 HE1 MET 37 13.426 -32.221 -25.668 246 HE2 MET 37 HE2 MET 37 14.476 -31.041 -26.452 247 HE3 MET 37 HE3 MET 37 15.111 -32.071 -25.169 248 H VAL 38 H VAL 38 11.187 -25.766 -26.148 249 HA VAL 38 HA VAL 38 12.487 -24.219 -24.015 250 HB VAL 38 HB VAL 38 10.512 -22.732 -24.143 251 HG11 VAL 38 HG11 VAL 38 11.980 -21.663 -25.444 252 HG12 VAL 38 HG12 VAL 38 12.482 -23.152 -26.248 253 HG13 VAL 38 HG13 VAL 38 11.047 -22.289 -26.804 254 HG21 VAL 38 HG21 VAL 38 8.677 -23.179 -25.351 255 HG22 VAL 38 HG22 VAL 38 9.610 -23.775 -26.725 256 HG23 VAL 38 HG23 VAL 38 9.271 -24.841 -25.361 257 H GLY 39 H GLY 39 11.383 -23.906 -21.998 258 HA2 GLY 39 HA2 GLY 39 9.044 -25.342 -21.287 259 HA3 GLY 39 HA3 GLY 39 10.472 -26.241 -20.795 260 H ASN 40 H ASN 40 9.677 -22.768 -20.790 261 HA ASN 40 HA ASN 40 10.250 -22.754 -17.899 262 HB2 ASN 40 HB2 ASN 40 11.011 -20.774 -20.038 263 HB3 ASN 40 HB3 ASN 40 10.947 -20.315 -18.339 264 HD21 ASN 40 HD21 ASN 40 13.137 -20.711 -20.419 265 HD22 ASN 40 HD22 ASN 40 14.315 -21.668 -19.592 266 H CYS 41 H CYS 41 9.262 -20.832 -16.770 267 HA CYS 41 HA CYS 41 6.617 -20.218 -17.915 268 HB2 CYS 41 HB2 CYS 41 7.194 -20.548 -14.969 269 HB3 CYS 41 HB3 CYS 41 5.622 -20.397 -15.745 270 H MET 42 H MET 42 6.066 -18.130 -18.009 271 HA MET 42 HA MET 42 7.733 -16.200 -16.532 272 HB2 MET 42 HB2 MET 42 6.673 -16.133 -19.339 273 HB3 MET 42 HB3 MET 42 7.036 -14.635 -18.490 274 HG2 MET 42 HG2 MET 42 9.279 -14.978 -18.549 275 HG3 MET 42 HG3 MET 42 9.125 -16.733 -18.507 276 HE1 MET 42 HE1 MET 42 7.467 -17.636 -21.284 277 HE2 MET 42 HE2 MET 42 9.080 -17.938 -21.930 278 HE3 MET 42 HE3 MET 42 8.753 -18.199 -20.216 279 H CYS 43 H CYS 43 6.624 -14.047 -16.234 280 HA CYS 43 HA CYS 43 4.149 -14.461 -14.894 281 HB2 CYS 43 HB2 CYS 43 5.736 -11.978 -15.548 282 HB3 CYS 43 HB3 CYS 43 4.218 -11.928 -14.657 283 H GLY 44 H GLY 44 2.086 -13.809 -15.424 284 HA2 GLY 44 HA2 GLY 44 1.621 -12.455 -17.962 285 HA3 GLY 44 HA3 GLY 44 1.023 -14.103 -17.845 286 HA PRO 45 HA PRO 45 -2.015 -10.902 -16.079 287 HB2 PRO 45 HB2 PRO 45 -3.841 -10.963 -18.087 288 HB3 PRO 45 HB3 PRO 45 -2.490 -9.823 -18.050 289 HG2 PRO 45 HG2 PRO 45 -2.754 -12.400 -19.550 290 HG3 PRO 45 HG3 PRO 45 -2.101 -10.846 -20.102 291 HD2 PRO 45 HD2 PRO 45 -0.515 -12.900 -19.328 292 HD3 PRO 45 HD3 PRO 45 -0.062 -11.200 -19.089 293 H LYS 46 H LYS 46 -3.546 -11.676 -14.755 294 HA LYS 46 HA LYS 46 -4.525 -14.405 -15.224 295 HB2 LYS 46 HB2 LYS 46 -3.416 -14.191 -13.114 296 HB3 LYS 46 HB3 LYS 46 -4.322 -12.736 -12.718 297 HG2 LYS 46 HG2 LYS 46 -5.911 -15.168 -13.232 298 HG3 LYS 46 HG3 LYS 46 -4.931 -15.158 -11.765 299 HD2 LYS 46 HD2 LYS 46 -6.550 -12.740 -12.350 300 HD3 LYS 46 HD3 LYS 46 -7.411 -14.191 -11.832 301 HE2 LYS 46 HE2 LYS 46 -5.010 -13.249 -10.319 302 HE3 LYS 46 HE3 LYS 46 -6.573 -12.476 -10.061 303 HZ1 LYS 46 HZ1 LYS 46 -5.635 -14.885 -8.991 304 HZ2 LYS 46 HZ2 LYS 46 -6.944 -15.248 -9.999 305 HZ3 LYS 46 HZ3 LYS 46 -7.132 -14.139 -8.736 306 H ALA 47 H ALA 47 -6.718 -14.904 -15.078 307 HA ALA 47 HA ALA 47 -8.499 -12.897 -16.009 308 HB1 ALA 47 HB1 ALA 47 -8.806 -15.170 -16.714 309 HB2 ALA 47 HB2 ALA 47 -9.012 -15.706 -15.045 310 HB3 ALA 47 HB3 ALA 47 -10.226 -14.669 -15.796 Start of MODEL 14 1 H1 SER 1 H SER 1 1.450 -1.599 0.089 2 HA SER 1 HA SER 1 1.644 -4.094 -1.133 3 HB2 SER 1 HB2 SER 1 0.291 -2.579 -2.276 4 HB3 SER 1 HB3 SER 1 1.485 -1.286 -2.181 5 HG SER 1 HG SER 1 1.082 -2.751 -4.230 6 H LYS 2 H LYS 2 3.083 -4.794 -2.857 7 HA LYS 2 HA LYS 2 5.843 -3.851 -2.437 8 HB2 LYS 2 HB2 LYS 2 5.063 -6.276 -1.767 9 HB3 LYS 2 HB3 LYS 2 5.244 -6.586 -3.490 10 HG2 LYS 2 HG2 LYS 2 7.551 -6.089 -3.437 11 HG3 LYS 2 HG3 LYS 2 7.436 -5.391 -1.820 12 HD2 LYS 2 HD2 LYS 2 6.586 -7.778 -1.171 13 HD3 LYS 2 HD3 LYS 2 7.400 -8.259 -2.662 14 HE2 LYS 2 HE2 LYS 2 9.490 -7.672 -1.860 15 HE3 LYS 2 HE3 LYS 2 8.831 -6.559 -0.661 16 HZ1 LYS 2 HZ1 LYS 2 9.670 -9.103 -0.187 17 HZ2 LYS 2 HZ2 LYS 2 7.987 -9.262 -0.239 18 HZ3 LYS 2 HZ3 LYS 2 8.701 -8.174 0.842 19 H GLU 3 H GLU 3 7.230 -3.735 -4.239 20 HA GLU 3 HA GLU 3 5.906 -3.007 -6.680 21 HB2 GLU 3 HB2 GLU 3 8.709 -2.938 -5.663 22 HB3 GLU 3 HB3 GLU 3 8.454 -2.864 -7.401 23 HG2 GLU 3 HG2 GLU 3 8.474 -0.645 -6.888 24 HG3 GLU 3 HG3 GLU 3 6.749 -0.984 -6.762 25 H CYS 4 H CYS 4 4.981 -4.846 -7.545 26 HA CYS 4 HA CYS 4 6.546 -7.231 -7.981 27 HB2 CYS 4 HB2 CYS 4 4.524 -8.113 -9.039 28 HB3 CYS 4 HB3 CYS 4 4.145 -7.384 -7.482 29 H MET 5 H MET 5 5.924 -8.143 -10.419 30 HA MET 5 HA MET 5 7.030 -6.125 -12.259 31 HB2 MET 5 HB2 MET 5 7.500 -9.101 -12.424 32 HB3 MET 5 HB3 MET 5 8.280 -7.845 -13.374 33 HG2 MET 5 HG2 MET 5 9.376 -6.997 -11.369 34 HG3 MET 5 HG3 MET 5 8.584 -8.243 -10.407 35 HE1 MET 5 HE1 MET 5 9.171 -11.105 -12.394 36 HE2 MET 5 HE2 MET 5 10.259 -11.413 -11.040 37 HE3 MET 5 HE3 MET 5 8.722 -10.589 -10.768 38 H THR 6 H THR 6 6.545 -6.572 -14.577 39 HA THR 6 HA THR 6 3.734 -7.324 -14.834 40 HB THR 6 HB THR 6 3.973 -6.328 -17.147 41 HG1 THR 6 HG1 THR 6 5.985 -6.017 -17.728 42 HG21 THR 6 HG21 THR 6 2.974 -5.019 -15.397 43 HG22 THR 6 HG22 THR 6 4.073 -3.979 -16.303 44 HG23 THR 6 HG23 THR 6 4.557 -4.616 -14.732 45 H ASP 7 H ASP 7 3.273 -8.240 -17.185 46 HA ASP 7 HA ASP 7 4.349 -10.862 -17.219 47 HB2 ASP 7 HB2 ASP 7 2.949 -11.241 -19.137 48 HB3 ASP 7 HB3 ASP 7 2.053 -10.236 -18.001 49 H GLY 8 H GLY 8 5.624 -11.884 -18.822 50 HA2 GLY 8 HA2 GLY 8 6.960 -11.796 -20.822 51 HA3 GLY 8 HA3 GLY 8 7.156 -10.069 -20.565 52 H THR 9 H THR 9 7.581 -10.790 -17.602 53 HA THR 9 HA THR 9 10.463 -11.198 -17.878 54 HB THR 9 HB THR 9 8.840 -10.297 -15.490 55 HG1 THR 9 HG1 THR 9 9.692 -8.267 -15.997 56 HG21 THR 9 HG21 THR 9 10.889 -11.476 -14.825 57 HG22 THR 9 HG22 THR 9 10.993 -9.751 -14.468 58 HG23 THR 9 HG23 THR 9 11.835 -10.415 -15.868 59 H VAL 10 H VAL 10 11.387 -13.080 -17.424 60 HA VAL 10 HA VAL 10 10.046 -15.404 -16.777 61 HB VAL 10 HB VAL 10 12.929 -14.818 -16.093 62 HG11 VAL 10 HG11 VAL 10 13.188 -17.268 -16.475 63 HG12 VAL 10 HG12 VAL 10 12.196 -16.858 -15.074 64 HG13 VAL 10 HG13 VAL 10 11.432 -17.389 -16.573 65 HG21 VAL 10 HG21 VAL 10 13.359 -14.681 -18.266 66 HG22 VAL 10 HG22 VAL 10 12.653 -16.279 -18.513 67 HG23 VAL 10 HG23 VAL 10 11.639 -14.840 -18.622 68 H CYS 11 H CYS 11 9.709 -16.585 -14.907 69 HA CYS 11 HA CYS 11 10.450 -15.406 -12.345 70 HB2 CYS 11 HB2 CYS 11 8.174 -15.501 -11.474 71 HB3 CYS 11 HB3 CYS 11 8.243 -14.441 -12.877 72 H TYR 12 H TYR 12 10.034 -16.880 -10.524 73 HA TYR 12 HA TYR 12 9.754 -19.693 -11.303 74 HB2 TYR 12 HB2 TYR 12 12.127 -18.397 -10.067 75 HB3 TYR 12 HB3 TYR 12 11.670 -19.985 -9.458 76 HD1 TYR 12 HD1 TYR 12 11.609 -21.929 -11.023 77 HD2 TYR 12 HD2 TYR 12 13.174 -18.147 -12.185 78 HE1 TYR 12 HE1 TYR 12 12.754 -22.992 -12.922 79 HE2 TYR 12 HE2 TYR 12 14.321 -19.200 -14.088 80 HH TYR 12 HH TYR 12 14.841 -22.436 -14.360 81 H ILE 13 H ILE 13 8.446 -20.787 -9.988 82 HA ILE 13 HA ILE 13 7.092 -19.532 -7.859 83 HB ILE 13 HB ILE 13 7.272 -22.505 -8.339 84 HG12 ILE 13 HG12 ILE 13 6.656 -21.414 -10.423 85 HG13 ILE 13 HG13 ILE 13 5.246 -22.213 -9.736 86 HG21 ILE 13 HG21 ILE 13 6.253 -22.003 -6.238 87 HG22 ILE 13 HG22 ILE 13 5.241 -20.757 -6.966 88 HG23 ILE 13 HG23 ILE 13 4.973 -22.454 -7.363 89 HD11 ILE 13 HD11 ILE 13 5.813 -19.327 -10.085 90 HD12 ILE 13 HD12 ILE 13 4.316 -20.230 -10.321 91 HD13 ILE 13 HD13 ILE 13 4.851 -19.821 -8.691 92 H HIS 14 H HIS 14 10.084 -21.192 -7.999 93 HA HIS 14 HA HIS 14 10.146 -21.423 -5.064 94 HB2 HIS 14 HB2 HIS 14 10.565 -23.456 -6.698 95 HB3 HIS 14 HB3 HIS 14 12.180 -22.762 -6.799 96 HD1 HIS 14 HD1 HIS 14 13.510 -24.384 -5.445 97 HD2 HIS 14 HD2 HIS 14 10.070 -23.128 -3.480 98 HE1 HIS 14 HE1 HIS 14 13.678 -25.331 -3.121 99 H ASN 15 H ASN 15 10.581 -18.965 -6.519 100 HA ASN 15 HA ASN 15 13.368 -18.459 -5.720 101 HB2 ASN 15 HB2 ASN 15 12.987 -18.532 -8.244 102 HB3 ASN 15 HB3 ASN 15 12.037 -17.064 -8.040 103 HD21 ASN 15 HD21 ASN 15 13.051 -15.162 -7.913 104 HD22 ASN 15 HD22 ASN 15 14.766 -14.958 -7.871 105 H HIS 16 H HIS 16 10.567 -18.042 -4.554 106 HA HIS 16 HA HIS 16 9.426 -16.471 -3.357 107 HB2 HIS 16 HB2 HIS 16 12.286 -15.586 -3.090 108 HB3 HIS 16 HB3 HIS 16 10.987 -14.682 -2.317 109 HD1 HIS 16 HD1 HIS 16 10.880 -15.298 0.065 110 HD2 HIS 16 HD2 HIS 16 11.779 -18.575 -2.324 111 HE1 HIS 16 HE1 HIS 16 11.046 -17.252 1.639 112 H ASN 17 H ASN 17 9.651 -16.058 -6.244 113 HA ASN 17 HA ASN 17 9.833 -13.183 -6.584 114 HB2 ASN 17 HB2 ASN 17 9.595 -15.539 -8.379 115 HB3 ASN 17 HB3 ASN 17 8.929 -14.019 -8.970 116 HD21 ASN 17 HD21 ASN 17 11.079 -15.339 -10.155 117 HD22 ASN 17 HD22 ASN 17 12.489 -14.355 -9.984 118 H ASP 18 H ASP 18 8.180 -11.823 -6.437 119 HA ASP 18 HA ASP 18 5.456 -12.939 -6.388 120 HB2 ASP 18 HB2 ASP 18 6.780 -10.717 -4.912 121 HB3 ASP 18 HB3 ASP 18 5.073 -10.531 -5.307 122 H CYS 19 H CYS 19 4.534 -12.726 -8.324 123 HA CYS 19 HA CYS 19 4.902 -10.187 -9.774 124 HB2 CYS 19 HB2 CYS 19 4.755 -13.006 -10.658 125 HB3 CYS 19 HB3 CYS 19 3.886 -11.847 -11.660 126 H CYS 20 H CYS 20 3.174 -8.947 -10.172 127 HA CYS 20 HA CYS 20 0.765 -9.246 -8.860 128 HB2 CYS 20 HB2 CYS 20 1.682 -7.605 -11.174 129 HB3 CYS 20 HB3 CYS 20 -0.049 -7.682 -10.854 130 H GLY 21 H GLY 21 1.785 -10.582 -11.909 131 HA2 GLY 21 HA2 GLY 21 -0.942 -11.543 -12.446 132 HA3 GLY 21 HA3 GLY 21 0.377 -11.509 -13.607 133 H SER 22 H SER 22 -0.918 -13.783 -13.578 134 HA SER 22 HA SER 22 0.402 -15.615 -11.719 135 HB2 SER 22 HB2 SER 22 -2.080 -15.675 -13.323 136 HB3 SER 22 HB3 SER 22 -1.219 -17.210 -13.206 137 HG SER 22 HG SER 22 -2.182 -17.347 -11.343 138 H CYS 23 H CYS 23 1.888 -17.096 -12.322 139 HA CYS 23 HA CYS 23 3.258 -16.739 -14.786 140 HB2 CYS 23 HB2 CYS 23 3.508 -18.694 -12.516 141 HB3 CYS 23 HB3 CYS 23 4.463 -18.888 -13.982 142 H LEU 24 H LEU 24 2.945 -17.678 -16.696 143 HA LEU 24 HA LEU 24 1.165 -20.021 -16.815 144 HB2 LEU 24 HB2 LEU 24 1.570 -17.753 -18.748 145 HB3 LEU 24 HB3 LEU 24 0.742 -19.245 -19.188 146 HG LEU 24 HG LEU 24 -0.141 -17.296 -17.060 147 HD11 LEU 24 HD11 LEU 24 -0.835 -17.672 -19.926 148 HD12 LEU 24 HD12 LEU 24 -0.708 -16.192 -18.976 149 HD13 LEU 24 HD13 LEU 24 -2.120 -17.233 -18.800 150 HD21 LEU 24 HD21 LEU 24 -0.743 -20.039 -17.418 151 HD22 LEU 24 HD22 LEU 24 -2.167 -19.112 -17.890 152 HD23 LEU 24 HD23 LEU 24 -1.467 -18.896 -16.286 153 H CYS 25 H CYS 25 2.205 -21.836 -17.269 154 HA CYS 25 HA CYS 25 4.801 -21.773 -18.559 155 HB2 CYS 25 HB2 CYS 25 3.231 -24.185 -17.636 156 HB3 CYS 25 HB3 CYS 25 4.953 -24.109 -17.992 157 H SER 26 H SER 26 5.186 -22.194 -20.637 158 HA SER 26 HA SER 26 2.984 -22.636 -22.428 159 HB2 SER 26 HB2 SER 26 5.229 -21.262 -22.756 160 HB3 SER 26 HB3 SER 26 5.819 -22.811 -23.356 161 HG SER 26 HG SER 26 4.961 -21.977 -25.134 162 H ASN 27 H ASN 27 2.149 -24.582 -22.757 163 HA ASN 27 HA ASN 27 3.828 -26.954 -22.434 164 HB2 ASN 27 HB2 ASN 27 1.593 -26.775 -21.288 165 HB3 ASN 27 HB3 ASN 27 0.840 -26.834 -22.879 166 HD21 ASN 27 HD21 ASN 27 0.157 -28.752 -23.460 167 HD22 ASN 27 HD22 ASN 27 0.818 -30.269 -22.959 168 H GLY 28 H GLY 28 4.013 -25.160 -24.775 169 HA2 GLY 28 HA2 GLY 28 2.763 -26.110 -27.053 170 HA3 GLY 28 HA3 GLY 28 4.374 -25.407 -27.029 171 HA PRO 29 HA PRO 29 4.456 -29.978 -28.228 172 HB2 PRO 29 HB2 PRO 29 5.282 -29.636 -30.791 173 HB3 PRO 29 HB3 PRO 29 3.576 -29.690 -30.330 174 HG2 PRO 29 HG2 PRO 29 5.317 -27.316 -30.876 175 HG3 PRO 29 HG3 PRO 29 3.645 -27.619 -31.386 176 HD2 PRO 29 HD2 PRO 29 4.261 -26.023 -29.287 177 HD3 PRO 29 HD3 PRO 29 2.776 -26.994 -29.345 178 H ILE 30 H ILE 30 6.283 -31.010 -27.729 179 HA ILE 30 HA ILE 30 8.849 -29.666 -28.277 180 HB ILE 30 HB ILE 30 9.741 -30.832 -26.250 181 HG12 ILE 30 HG12 ILE 30 7.280 -31.124 -24.836 182 HG13 ILE 30 HG13 ILE 30 7.167 -32.053 -26.326 183 HG21 ILE 30 HG21 ILE 30 9.225 -28.495 -26.127 184 HG22 ILE 30 HG22 ILE 30 7.514 -28.838 -25.881 185 HG23 ILE 30 HG23 ILE 30 8.685 -29.262 -24.634 186 HD11 ILE 30 HD11 ILE 30 9.588 -32.832 -25.520 187 HD12 ILE 30 HD12 ILE 30 8.864 -32.467 -23.953 188 HD13 ILE 30 HD13 ILE 30 8.099 -33.638 -25.028 189 H ALA 31 H ALA 31 10.044 -30.747 -29.684 190 HA ALA 31 HA ALA 31 9.600 -33.629 -30.020 191 HB1 ALA 31 HB1 ALA 31 9.350 -32.162 -32.003 192 HB2 ALA 31 HB2 ALA 31 11.056 -31.740 -31.863 193 HB3 ALA 31 HB3 ALA 31 10.584 -33.405 -32.201 194 H ARG 32 H ARG 32 12.020 -31.253 -29.191 195 HA ARG 32 HA ARG 32 13.744 -33.342 -28.176 196 HB2 ARG 32 HB2 ARG 32 14.576 -31.526 -30.435 197 HB3 ARG 32 HB3 ARG 32 15.743 -32.320 -29.386 198 HG2 ARG 32 HG2 ARG 32 14.525 -34.493 -30.041 199 HG3 ARG 32 HG3 ARG 32 13.858 -33.535 -31.364 200 HD2 ARG 32 HD2 ARG 32 16.772 -34.034 -30.770 201 HD3 ARG 32 HD3 ARG 32 15.841 -34.676 -32.123 202 HE ARG 32 HE ARG 32 16.993 -32.049 -31.898 203 HH11 ARG 32 HH11 ARG 32 14.550 -33.993 -33.439 204 HH12 ARG 32 HH12 ARG 32 14.407 -32.953 -34.817 205 HH21 ARG 32 HH21 ARG 32 16.815 -30.673 -33.708 206 HH22 ARG 32 HH22 ARG 32 15.697 -31.066 -34.970 207 HA PRO 33 HA PRO 33 13.597 -29.422 -25.689 208 HB2 PRO 33 HB2 PRO 33 13.113 -30.666 -23.324 209 HB3 PRO 33 HB3 PRO 33 11.828 -30.194 -24.442 210 HG2 PRO 33 HG2 PRO 33 13.105 -32.872 -24.047 211 HG3 PRO 33 HG3 PRO 33 11.391 -32.470 -24.260 212 HD2 PRO 33 HD2 PRO 33 12.925 -33.422 -26.277 213 HD3 PRO 33 HD3 PRO 33 11.590 -32.286 -26.549 214 H TRP 34 H TRP 34 15.400 -32.335 -25.704 215 HA TRP 34 HA TRP 34 17.170 -31.796 -23.556 216 HB2 TRP 34 HB2 TRP 34 17.290 -33.597 -25.960 217 HB3 TRP 34 HB3 TRP 34 18.681 -33.425 -24.893 218 HD1 TRP 34 HD1 TRP 34 14.893 -34.166 -24.378 219 HE1 TRP 34 HE1 TRP 34 14.694 -36.034 -22.618 220 HE3 TRP 34 HE3 TRP 34 19.856 -34.859 -23.367 221 HZ2 TRP 34 HZ2 TRP 34 16.415 -37.595 -21.013 222 HZ3 TRP 34 HZ3 TRP 34 20.496 -36.559 -21.707 223 HH2 TRP 34 HH2 TRP 34 18.809 -37.897 -20.555 224 H GLU 35 H GLU 35 16.985 -30.680 -26.828 225 HA GLU 35 HA GLU 35 19.676 -29.525 -26.661 226 HB2 GLU 35 HB2 GLU 35 17.808 -30.118 -28.928 227 HB3 GLU 35 HB3 GLU 35 19.060 -28.899 -29.127 228 HG2 GLU 35 HG2 GLU 35 20.769 -30.546 -28.596 229 HG3 GLU 35 HG3 GLU 35 19.524 -31.772 -28.358 230 H MET 36 H MET 36 16.281 -28.679 -26.983 231 HA MET 36 HA MET 36 16.993 -25.889 -26.398 232 HB2 MET 36 HB2 MET 36 15.070 -25.198 -27.868 233 HB3 MET 36 HB3 MET 36 16.457 -25.863 -28.722 234 HG2 MET 36 HG2 MET 36 14.312 -27.752 -27.966 235 HG3 MET 36 HG3 MET 36 13.951 -26.587 -29.237 236 HE1 MET 36 HE1 MET 36 14.685 -28.014 -32.097 237 HE2 MET 36 HE2 MET 36 14.557 -26.478 -31.241 238 HE3 MET 36 HE3 MET 36 16.102 -26.976 -31.932 239 H MET 37 H MET 37 16.503 -26.725 -24.204 240 HA MET 37 HA MET 37 14.015 -27.666 -23.393 241 HB2 MET 37 HB2 MET 37 16.268 -26.257 -22.056 242 HB3 MET 37 HB3 MET 37 14.734 -26.324 -21.199 243 HG2 MET 37 HG2 MET 37 14.827 -28.852 -21.702 244 HG3 MET 37 HG3 MET 37 16.537 -28.561 -22.012 245 HE1 MET 37 HE1 MET 37 14.210 -27.798 -18.218 246 HE2 MET 37 HE2 MET 37 13.623 -28.207 -19.830 247 HE3 MET 37 HE3 MET 37 14.180 -29.482 -18.744 248 H VAL 38 H VAL 38 12.205 -26.687 -24.123 249 HA VAL 38 HA VAL 38 11.940 -23.785 -23.728 250 HB VAL 38 HB VAL 38 9.955 -23.992 -25.254 251 HG11 VAL 38 HG11 VAL 38 12.773 -24.213 -25.920 252 HG12 VAL 38 HG12 VAL 38 11.725 -24.813 -27.207 253 HG13 VAL 38 HG13 VAL 38 11.529 -23.168 -26.602 254 HG21 VAL 38 HG21 VAL 38 9.572 -26.401 -24.900 255 HG22 VAL 38 HG22 VAL 38 9.717 -25.988 -26.609 256 HG23 VAL 38 HG23 VAL 38 11.068 -26.749 -25.768 257 H GLY 39 H GLY 39 11.717 -25.474 -21.489 258 HA2 GLY 39 HA2 GLY 39 8.812 -25.480 -20.970 259 HA3 GLY 39 HA3 GLY 39 9.980 -26.490 -20.131 260 H ASN 40 H ASN 40 9.863 -22.998 -20.830 261 HA ASN 40 HA ASN 40 10.377 -22.512 -17.978 262 HB2 ASN 40 HB2 ASN 40 10.950 -20.897 -20.456 263 HB3 ASN 40 HB3 ASN 40 10.989 -20.172 -18.852 264 HD21 ASN 40 HD21 ASN 40 12.761 -20.397 -17.644 265 HD22 ASN 40 HD22 ASN 40 14.123 -21.376 -18.057 266 H CYS 41 H CYS 41 9.240 -20.843 -16.883 267 HA CYS 41 HA CYS 41 6.646 -20.166 -18.108 268 HB2 CYS 41 HB2 CYS 41 7.134 -20.549 -15.152 269 HB3 CYS 41 HB3 CYS 41 5.586 -20.378 -15.972 270 H MET 42 H MET 42 6.001 -18.082 -18.054 271 HA MET 42 HA MET 42 7.686 -16.182 -16.559 272 HB2 MET 42 HB2 MET 42 6.614 -16.025 -19.362 273 HB3 MET 42 HB3 MET 42 7.018 -14.566 -18.468 274 HG2 MET 42 HG2 MET 42 9.252 -14.957 -18.557 275 HG3 MET 42 HG3 MET 42 9.058 -16.708 -18.578 276 HE1 MET 42 HE1 MET 42 8.132 -17.598 -22.083 277 HE2 MET 42 HE2 MET 42 9.603 -18.013 -21.202 278 HE3 MET 42 HE3 MET 42 8.055 -17.957 -20.357 279 H CYS 43 H CYS 43 6.554 -14.022 -16.260 280 HA CYS 43 HA CYS 43 4.083 -14.483 -14.918 281 HB2 CYS 43 HB2 CYS 43 5.615 -11.953 -15.539 282 HB3 CYS 43 HB3 CYS 43 4.131 -11.978 -14.590 283 H GLY 44 H GLY 44 2.021 -13.726 -15.408 284 HA2 GLY 44 HA2 GLY 44 1.552 -12.361 -17.926 285 HA3 GLY 44 HA3 GLY 44 0.963 -14.015 -17.854 286 HA PRO 45 HA PRO 45 -2.082 -10.866 -15.990 287 HB2 PRO 45 HB2 PRO 45 -3.884 -10.816 -18.021 288 HB3 PRO 45 HB3 PRO 45 -2.526 -9.688 -17.913 289 HG2 PRO 45 HG2 PRO 45 -2.788 -12.188 -19.540 290 HG3 PRO 45 HG3 PRO 45 -2.119 -10.613 -20.007 291 HD2 PRO 45 HD2 PRO 45 -0.555 -12.713 -19.316 292 HD3 PRO 45 HD3 PRO 45 -0.093 -11.030 -18.990 293 H LYS 46 H LYS 46 -3.743 -11.624 -14.798 294 HA LYS 46 HA LYS 46 -4.398 -14.415 -14.950 295 HB2 LYS 46 HB2 LYS 46 -5.657 -14.062 -12.942 296 HB3 LYS 46 HB3 LYS 46 -4.163 -13.142 -12.807 297 HG2 LYS 46 HG2 LYS 46 -5.477 -11.132 -13.584 298 HG3 LYS 46 HG3 LYS 46 -6.929 -12.109 -13.358 299 HD2 LYS 46 HD2 LYS 46 -6.719 -12.137 -11.074 300 HD3 LYS 46 HD3 LYS 46 -4.965 -11.944 -11.126 301 HE2 LYS 46 HE2 LYS 46 -5.614 -9.871 -10.374 302 HE3 LYS 46 HE3 LYS 46 -5.555 -9.595 -12.115 303 HZ1 LYS 46 HZ1 LYS 46 -8.095 -10.533 -11.073 304 HZ2 LYS 46 HZ2 LYS 46 -7.773 -9.351 -12.239 305 HZ3 LYS 46 HZ3 LYS 46 -7.645 -8.974 -10.594 306 H ALA 47 H ALA 47 -6.160 -15.361 -15.797 307 HA ALA 47 HA ALA 47 -8.524 -13.798 -16.434 308 HB1 ALA 47 HB1 ALA 47 -7.370 -15.372 -18.692 309 HB2 ALA 47 HB2 ALA 47 -8.494 -14.014 -18.726 310 HB3 ALA 47 HB3 ALA 47 -6.787 -13.738 -18.380 Start of MODEL 15 1 H1 SER 1 H SER 1 1.779 -0.050 0.651 2 HA SER 1 HA SER 1 0.826 -0.546 -2.068 3 HB2 SER 1 HB2 SER 1 3.512 0.634 -1.485 4 HB3 SER 1 HB3 SER 1 2.402 0.977 -2.811 5 HG SER 1 HG SER 1 1.747 2.594 -1.660 6 H LYS 2 H LYS 2 2.352 -1.537 -3.622 7 HA LYS 2 HA LYS 2 4.271 -3.401 -2.453 8 HB2 LYS 2 HB2 LYS 2 2.003 -4.519 -2.598 9 HB3 LYS 2 HB3 LYS 2 2.129 -4.370 -4.346 10 HG2 LYS 2 HG2 LYS 2 3.798 -5.939 -4.499 11 HG3 LYS 2 HG3 LYS 2 4.334 -5.688 -2.837 12 HD2 LYS 2 HD2 LYS 2 1.624 -6.827 -3.419 13 HD3 LYS 2 HD3 LYS 2 3.056 -7.858 -3.424 14 HE2 LYS 2 HE2 LYS 2 2.342 -6.060 -1.119 15 HE3 LYS 2 HE3 LYS 2 1.770 -7.724 -1.245 16 HZ1 LYS 2 HZ1 LYS 2 3.657 -8.093 -0.085 17 HZ2 LYS 2 HZ2 LYS 2 4.445 -6.717 -0.676 18 HZ3 LYS 2 HZ3 LYS 2 4.350 -8.112 -1.629 19 H GLU 3 H GLU 3 5.638 -4.440 -4.091 20 HA GLU 3 HA GLU 3 5.750 -2.923 -6.612 21 HB2 GLU 3 HB2 GLU 3 7.948 -3.497 -4.649 22 HB3 GLU 3 HB3 GLU 3 8.316 -3.265 -6.353 23 HG2 GLU 3 HG2 GLU 3 8.599 -1.146 -5.549 24 HG3 GLU 3 HG3 GLU 3 6.915 -1.085 -6.067 25 H CYS 4 H CYS 4 5.066 -4.434 -8.023 26 HA CYS 4 HA CYS 4 6.445 -7.039 -7.999 27 HB2 CYS 4 HB2 CYS 4 4.456 -7.971 -9.113 28 HB3 CYS 4 HB3 CYS 4 4.057 -7.279 -7.543 29 H MET 5 H MET 5 5.893 -8.013 -10.429 30 HA MET 5 HA MET 5 7.011 -6.010 -12.280 31 HB2 MET 5 HB2 MET 5 7.473 -8.992 -12.402 32 HB3 MET 5 HB3 MET 5 8.269 -7.751 -13.359 33 HG2 MET 5 HG2 MET 5 9.339 -6.878 -11.349 34 HG3 MET 5 HG3 MET 5 8.533 -8.111 -10.383 35 HE1 MET 5 HE1 MET 5 8.980 -10.901 -12.302 36 HE2 MET 5 HE2 MET 5 10.240 -11.346 -11.151 37 HE3 MET 5 HE3 MET 5 8.792 -10.506 -10.594 38 H THR 6 H THR 6 6.559 -6.476 -14.599 39 HA THR 6 HA THR 6 3.749 -7.211 -14.895 40 HB THR 6 HB THR 6 3.821 -6.121 -17.047 41 HG1 THR 6 HG1 THR 6 6.598 -5.662 -16.605 42 HG21 THR 6 HG21 THR 6 5.404 -4.392 -15.151 43 HG22 THR 6 HG22 THR 6 3.687 -4.735 -14.941 44 HG23 THR 6 HG23 THR 6 4.245 -3.877 -16.376 45 H ASP 7 H ASP 7 3.318 -8.165 -17.235 46 HA ASP 7 HA ASP 7 4.363 -10.800 -17.202 47 HB2 ASP 7 HB2 ASP 7 3.002 -11.187 -19.159 48 HB3 ASP 7 HB3 ASP 7 2.090 -10.190 -18.030 49 H GLY 8 H GLY 8 5.653 -11.865 -18.764 50 HA2 GLY 8 HA2 GLY 8 7.020 -11.826 -20.748 51 HA3 GLY 8 HA3 GLY 8 7.238 -10.098 -20.508 52 H THR 9 H THR 9 7.608 -10.764 -17.534 53 HA THR 9 HA THR 9 10.487 -11.184 -17.746 54 HB THR 9 HB THR 9 8.803 -10.351 -15.377 55 HG1 THR 9 HG1 THR 9 10.288 -8.959 -17.332 56 HG21 THR 9 HG21 THR 9 11.807 -10.437 -15.687 57 HG22 THR 9 HG22 THR 9 10.844 -11.524 -14.687 58 HG23 THR 9 HG23 THR 9 10.927 -9.808 -14.296 59 H VAL 10 H VAL 10 11.399 -13.084 -17.350 60 HA VAL 10 HA VAL 10 10.057 -15.422 -16.755 61 HB VAL 10 HB VAL 10 12.946 -14.787 -16.139 62 HG11 VAL 10 HG11 VAL 10 13.176 -17.301 -16.465 63 HG12 VAL 10 HG12 VAL 10 12.435 -16.756 -14.958 64 HG13 VAL 10 HG13 VAL 10 11.424 -17.374 -16.265 65 HG21 VAL 10 HG21 VAL 10 13.441 -15.738 -18.305 66 HG22 VAL 10 HG22 VAL 10 11.733 -16.083 -18.578 67 HG23 VAL 10 HG23 VAL 10 12.292 -14.412 -18.492 68 H CYS 11 H CYS 11 9.624 -16.594 -14.925 69 HA CYS 11 HA CYS 11 10.405 -15.507 -12.330 70 HB2 CYS 11 HB2 CYS 11 8.137 -15.536 -11.466 71 HB3 CYS 11 HB3 CYS 11 8.214 -14.484 -12.874 72 H TYR 12 H TYR 12 10.165 -17.011 -10.582 73 HA TYR 12 HA TYR 12 9.738 -19.799 -11.413 74 HB2 TYR 12 HB2 TYR 12 12.170 -18.569 -10.278 75 HB3 TYR 12 HB3 TYR 12 11.677 -20.083 -9.528 76 HD1 TYR 12 HD1 TYR 12 11.708 -22.165 -10.790 77 HD2 TYR 12 HD2 TYR 12 12.930 -18.504 -12.580 78 HE1 TYR 12 HE1 TYR 12 12.747 -23.420 -12.632 79 HE2 TYR 12 HE2 TYR 12 13.972 -19.749 -14.428 80 HH TYR 12 HH TYR 12 14.782 -22.819 -14.351 81 H ILE 13 H ILE 13 8.464 -20.933 -10.093 82 HA ILE 13 HA ILE 13 7.075 -19.728 -7.977 83 HB ILE 13 HB ILE 13 7.411 -22.695 -8.415 84 HG12 ILE 13 HG12 ILE 13 6.702 -21.656 -10.496 85 HG13 ILE 13 HG13 ILE 13 5.348 -22.523 -9.779 86 HG21 ILE 13 HG21 ILE 13 5.981 -21.164 -6.491 87 HG22 ILE 13 HG22 ILE 13 4.818 -21.967 -7.544 88 HG23 ILE 13 HG23 ILE 13 6.035 -22.916 -6.689 89 HD11 ILE 13 HD11 ILE 13 4.452 -20.419 -8.932 90 HD12 ILE 13 HD12 ILE 13 5.806 -19.553 -9.659 91 HD13 ILE 13 HD13 ILE 13 4.642 -20.391 -10.685 92 H HIS 14 H HIS 14 10.124 -21.320 -8.070 93 HA HIS 14 HA HIS 14 10.198 -21.429 -5.128 94 HB2 HIS 14 HB2 HIS 14 10.680 -23.502 -6.703 95 HB3 HIS 14 HB3 HIS 14 12.278 -22.767 -6.802 96 HD1 HIS 14 HD1 HIS 14 13.772 -23.971 -5.254 97 HD2 HIS 14 HD2 HIS 14 9.985 -23.437 -3.630 98 HE1 HIS 14 HE1 HIS 14 13.894 -24.932 -2.934 99 H ASN 15 H ASN 15 10.553 -19.006 -6.636 100 HA ASN 15 HA ASN 15 13.355 -18.418 -5.943 101 HB2 ASN 15 HB2 ASN 15 11.839 -17.834 -8.420 102 HB3 ASN 15 HB3 ASN 15 12.851 -16.530 -7.809 103 HD21 ASN 15 HD21 ASN 15 13.144 -20.060 -8.061 104 HD22 ASN 15 HD22 ASN 15 14.695 -20.045 -8.821 105 H HIS 16 H HIS 16 10.517 -18.073 -4.714 106 HA HIS 16 HA HIS 16 9.393 -16.542 -3.452 107 HB2 HIS 16 HB2 HIS 16 11.835 -16.645 -2.478 108 HB3 HIS 16 HB3 HIS 16 11.930 -14.998 -3.093 109 HD1 HIS 16 HD1 HIS 16 11.971 -13.855 -0.827 110 HD2 HIS 16 HD2 HIS 16 8.688 -16.348 -1.344 111 HE1 HIS 16 HE1 HIS 16 10.441 -13.361 1.106 112 H ASN 17 H ASN 17 9.618 -16.008 -6.317 113 HA ASN 17 HA ASN 17 9.819 -13.119 -6.522 114 HB2 ASN 17 HB2 ASN 17 9.498 -15.374 -8.460 115 HB3 ASN 17 HB3 ASN 17 9.012 -13.755 -8.958 116 HD21 ASN 17 HD21 ASN 17 10.838 -12.140 -7.883 117 HD22 ASN 17 HD22 ASN 17 12.420 -12.506 -8.476 118 H ASP 18 H ASP 18 8.162 -11.747 -6.428 119 HA ASP 18 HA ASP 18 5.442 -12.871 -6.383 120 HB2 ASP 18 HB2 ASP 18 6.441 -11.601 -4.351 121 HB3 ASP 18 HB3 ASP 18 6.161 -10.155 -5.317 122 H CYS 19 H CYS 19 4.525 -12.664 -8.322 123 HA CYS 19 HA CYS 19 4.885 -10.125 -9.773 124 HB2 CYS 19 HB2 CYS 19 4.784 -12.942 -10.653 125 HB3 CYS 19 HB3 CYS 19 3.874 -11.811 -11.650 126 H CYS 20 H CYS 20 3.149 -8.907 -10.217 127 HA CYS 20 HA CYS 20 0.742 -9.195 -8.899 128 HB2 CYS 20 HB2 CYS 20 1.672 -7.580 -11.216 129 HB3 CYS 20 HB3 CYS 20 -0.067 -7.689 -10.960 130 H GLY 21 H GLY 21 1.768 -10.576 -11.926 131 HA2 GLY 21 HA2 GLY 21 -0.952 -11.578 -12.432 132 HA3 GLY 21 HA3 GLY 21 0.358 -11.544 -13.604 133 H SER 22 H SER 22 -0.908 -13.833 -13.531 134 HA SER 22 HA SER 22 0.451 -15.621 -11.656 135 HB2 SER 22 HB2 SER 22 -2.082 -15.673 -13.112 136 HB3 SER 22 HB3 SER 22 -1.198 -17.194 -13.232 137 HG SER 22 HG SER 22 -0.962 -16.774 -10.793 138 H CYS 23 H CYS 23 1.885 -17.173 -12.264 139 HA CYS 23 HA CYS 23 3.292 -16.803 -14.706 140 HB2 CYS 23 HB2 CYS 23 3.470 -18.801 -12.466 141 HB3 CYS 23 HB3 CYS 23 4.433 -18.998 -13.925 142 H LEU 24 H LEU 24 3.032 -17.741 -16.630 143 HA LEU 24 HA LEU 24 1.195 -20.038 -16.813 144 HB2 LEU 24 HB2 LEU 24 1.632 -17.732 -18.695 145 HB3 LEU 24 HB3 LEU 24 0.782 -19.203 -19.165 146 HG LEU 24 HG LEU 24 -0.074 -17.279 -17.003 147 HD11 LEU 24 HD11 LEU 24 -0.772 -17.603 -19.872 148 HD12 LEU 24 HD12 LEU 24 -0.636 -16.141 -18.898 149 HD13 LEU 24 HD13 LEU 24 -2.055 -17.176 -18.741 150 HD21 LEU 24 HD21 LEU 24 -0.713 -20.012 -17.411 151 HD22 LEU 24 HD22 LEU 24 -2.127 -19.052 -17.847 152 HD23 LEU 24 HD23 LEU 24 -1.404 -18.882 -16.246 153 H CYS 25 H CYS 25 2.208 -21.853 -17.317 154 HA CYS 25 HA CYS 25 4.817 -21.792 -18.579 155 HB2 CYS 25 HB2 CYS 25 3.212 -24.228 -17.796 156 HB3 CYS 25 HB3 CYS 25 4.950 -24.125 -18.061 157 H SER 26 H SER 26 5.223 -22.151 -20.664 158 HA SER 26 HA SER 26 3.070 -22.414 -22.521 159 HB2 SER 26 HB2 SER 26 4.611 -21.894 -24.143 160 HB3 SER 26 HB3 SER 26 5.481 -21.289 -22.733 161 HG SER 26 HG SER 26 6.949 -22.746 -23.064 162 H ASN 27 H ASN 27 2.228 -24.189 -23.403 163 HA ASN 27 HA ASN 27 3.691 -26.728 -23.090 164 HB2 ASN 27 HB2 ASN 27 1.250 -27.694 -23.121 165 HB3 ASN 27 HB3 ASN 27 1.926 -27.052 -21.628 166 HD21 ASN 27 HD21 ASN 27 1.189 -25.083 -20.835 167 HD22 ASN 27 HD22 ASN 27 -0.281 -24.364 -21.390 168 H GLY 28 H GLY 28 3.627 -24.820 -25.343 169 HA2 GLY 28 HA2 GLY 28 1.980 -25.555 -27.437 170 HA3 GLY 28 HA3 GLY 28 3.624 -24.967 -27.636 171 HA PRO 29 HA PRO 29 3.150 -29.478 -28.999 172 HB2 PRO 29 HB2 PRO 29 3.485 -29.074 -31.663 173 HB3 PRO 29 HB3 PRO 29 1.900 -29.051 -30.880 174 HG2 PRO 29 HG2 PRO 29 3.651 -26.758 -31.682 175 HG3 PRO 29 HG3 PRO 29 1.896 -26.943 -31.864 176 HD2 PRO 29 HD2 PRO 29 3.008 -25.477 -29.878 177 HD3 PRO 29 HD3 PRO 29 1.481 -26.358 -29.674 178 H ILE 30 H ILE 30 4.962 -30.654 -28.955 179 HA ILE 30 HA ILE 30 7.480 -29.365 -29.783 180 HB ILE 30 HB ILE 30 7.102 -31.518 -27.699 181 HG12 ILE 30 HG12 ILE 30 7.983 -28.659 -27.289 182 HG13 ILE 30 HG13 ILE 30 6.310 -29.179 -27.115 183 HG21 ILE 30 HG21 ILE 30 9.619 -30.318 -27.460 184 HG22 ILE 30 HG22 ILE 30 9.257 -31.955 -28.004 185 HG23 ILE 30 HG23 ILE 30 9.405 -30.648 -29.179 186 HD11 ILE 30 HD11 ILE 30 8.658 -29.720 -25.386 187 HD12 ILE 30 HD12 ILE 30 7.000 -29.299 -24.952 188 HD13 ILE 30 HD13 ILE 30 7.384 -30.937 -25.481 189 H ALA 31 H ALA 31 8.157 -30.140 -31.666 190 HA ALA 31 HA ALA 31 7.739 -32.999 -32.247 191 HB1 ALA 31 HB1 ALA 31 7.349 -32.528 -34.438 192 HB2 ALA 31 HB2 ALA 31 6.784 -31.014 -33.730 193 HB3 ALA 31 HB3 ALA 31 8.398 -31.110 -34.436 194 H ARG 32 H ARG 32 10.059 -30.389 -32.112 195 HA ARG 32 HA ARG 32 12.219 -32.351 -32.300 196 HB2 ARG 32 HB2 ARG 32 11.779 -30.042 -34.134 197 HB3 ARG 32 HB3 ARG 32 13.430 -30.417 -33.661 198 HG2 ARG 32 HG2 ARG 32 12.640 -32.864 -34.358 199 HG3 ARG 32 HG3 ARG 32 11.559 -31.920 -35.385 200 HD2 ARG 32 HD2 ARG 32 13.354 -32.082 -36.782 201 HD3 ARG 32 HD3 ARG 32 13.796 -30.613 -35.914 202 HE ARG 32 HE ARG 32 15.562 -31.735 -34.989 203 HH11 ARG 32 HH11 ARG 32 13.325 -34.039 -36.332 204 HH12 ARG 32 HH12 ARG 32 14.376 -35.396 -36.089 205 HH21 ARG 32 HH21 ARG 32 16.953 -33.512 -34.663 206 HH22 ARG 32 HH22 ARG 32 16.438 -35.095 -35.139 207 HA PRO 33 HA PRO 33 12.696 -29.329 -28.806 208 HB2 PRO 33 HB2 PRO 33 13.266 -31.218 -26.942 209 HB3 PRO 33 HB3 PRO 33 11.614 -30.734 -27.345 210 HG2 PRO 33 HG2 PRO 33 13.173 -33.115 -28.277 211 HG3 PRO 33 HG3 PRO 33 11.480 -33.019 -27.757 212 HD2 PRO 33 HD2 PRO 33 12.201 -33.086 -30.366 213 HD3 PRO 33 HD3 PRO 33 10.769 -32.206 -29.794 214 H TRP 34 H TRP 34 14.602 -31.692 -30.377 215 HA TRP 34 HA TRP 34 17.006 -31.421 -28.900 216 HB2 TRP 34 HB2 TRP 34 16.305 -32.468 -31.619 217 HB3 TRP 34 HB3 TRP 34 17.996 -32.235 -31.188 218 HD1 TRP 34 HD1 TRP 34 14.907 -34.043 -29.666 219 HE1 TRP 34 HE1 TRP 34 15.727 -36.239 -28.604 220 HE3 TRP 34 HE3 TRP 34 19.917 -33.553 -30.558 221 HZ2 TRP 34 HZ2 TRP 34 18.175 -37.585 -28.198 222 HZ3 TRP 34 HZ3 TRP 34 21.429 -35.340 -29.800 223 HH2 TRP 34 HH2 TRP 34 20.575 -37.313 -28.644 224 H GLU 35 H GLU 35 15.514 -29.548 -31.420 225 HA GLU 35 HA GLU 35 17.936 -27.907 -31.686 226 HB2 GLU 35 HB2 GLU 35 16.944 -27.010 -33.711 227 HB3 GLU 35 HB3 GLU 35 16.947 -28.767 -33.777 228 HG2 GLU 35 HG2 GLU 35 14.597 -28.824 -33.206 229 HG3 GLU 35 HG3 GLU 35 14.574 -27.071 -33.033 230 H MET 36 H MET 36 14.583 -27.845 -30.700 231 HA MET 36 HA MET 36 15.014 -25.151 -29.609 232 HB2 MET 36 HB2 MET 36 12.705 -26.111 -31.276 233 HB3 MET 36 HB3 MET 36 12.504 -24.791 -30.133 234 HG2 MET 36 HG2 MET 36 14.164 -23.481 -31.276 235 HG3 MET 36 HG3 MET 36 14.531 -24.824 -32.355 236 HE1 MET 36 HE1 MET 36 12.851 -24.291 -35.222 237 HE2 MET 36 HE2 MET 36 13.518 -22.714 -34.798 238 HE3 MET 36 HE3 MET 36 14.364 -24.188 -34.321 239 H MET 37 H MET 37 15.247 -25.827 -27.516 240 HA MET 37 HA MET 37 13.087 -27.444 -26.357 241 HB2 MET 37 HB2 MET 37 15.384 -28.284 -26.042 242 HB3 MET 37 HB3 MET 37 15.815 -26.786 -25.229 243 HG2 MET 37 HG2 MET 37 14.297 -27.266 -23.430 244 HG3 MET 37 HG3 MET 37 13.699 -28.696 -24.268 245 HE1 MET 37 HE1 MET 37 16.179 -30.439 -25.226 246 HE2 MET 37 HE2 MET 37 16.241 -31.376 -23.732 247 HE3 MET 37 HE3 MET 37 14.686 -30.848 -24.380 248 H VAL 38 H VAL 38 11.501 -26.267 -25.512 249 HA VAL 38 HA VAL 38 12.215 -23.995 -23.791 250 HB VAL 38 HB VAL 38 11.475 -23.005 -25.870 251 HG11 VAL 38 HG11 VAL 38 9.991 -24.008 -27.179 252 HG12 VAL 38 HG12 VAL 38 9.706 -25.223 -25.932 253 HG13 VAL 38 HG13 VAL 38 8.736 -23.750 -25.967 254 HG21 VAL 38 HG21 VAL 38 10.809 -21.893 -23.809 255 HG22 VAL 38 HG22 VAL 38 9.575 -21.685 -25.052 256 HG23 VAL 38 HG23 VAL 38 9.331 -22.853 -23.752 257 H GLY 39 H GLY 39 11.247 -24.032 -21.857 258 HA2 GLY 39 HA2 GLY 39 8.620 -25.106 -21.455 259 HA3 GLY 39 HA3 GLY 39 9.873 -26.178 -20.847 260 H ASN 40 H ASN 40 9.818 -22.637 -20.842 261 HA ASN 40 HA ASN 40 10.139 -22.726 -17.926 262 HB2 ASN 40 HB2 ASN 40 11.733 -21.487 -19.667 263 HB3 ASN 40 HB3 ASN 40 10.544 -20.204 -19.461 264 HD21 ASN 40 HD21 ASN 40 12.668 -19.248 -18.662 265 HD22 ASN 40 HD22 ASN 40 12.964 -19.376 -16.966 266 H CYS 41 H CYS 41 9.163 -20.848 -16.727 267 HA CYS 41 HA CYS 41 6.502 -20.212 -17.826 268 HB2 CYS 41 HB2 CYS 41 7.229 -20.676 -14.925 269 HB3 CYS 41 HB3 CYS 41 5.626 -20.285 -15.540 270 H MET 42 H MET 42 6.061 -18.122 -18.045 271 HA MET 42 HA MET 42 7.716 -16.187 -16.563 272 HB2 MET 42 HB2 MET 42 6.454 -15.979 -19.299 273 HB3 MET 42 HB3 MET 42 7.177 -14.614 -18.456 274 HG2 MET 42 HG2 MET 42 8.987 -15.207 -19.644 275 HG3 MET 42 HG3 MET 42 9.213 -16.344 -18.316 276 HE1 MET 42 HE1 MET 42 10.233 -16.133 -21.259 277 HE2 MET 42 HE2 MET 42 10.807 -17.721 -20.751 278 HE3 MET 42 HE3 MET 42 9.870 -17.556 -22.236 279 H CYS 43 H CYS 43 6.599 -14.007 -16.316 280 HA CYS 43 HA CYS 43 4.146 -14.423 -14.912 281 HB2 CYS 43 HB2 CYS 43 5.765 -11.959 -15.548 282 HB3 CYS 43 HB3 CYS 43 4.248 -11.888 -14.656 283 H GLY 44 H GLY 44 2.087 -13.711 -15.406 284 HA2 GLY 44 HA2 GLY 44 1.586 -12.275 -17.872 285 HA3 GLY 44 HA3 GLY 44 1.053 -13.950 -17.880 286 HA PRO 45 HA PRO 45 -2.111 -10.997 -15.903 287 HB2 PRO 45 HB2 PRO 45 -3.905 -10.929 -17.939 288 HB3 PRO 45 HB3 PRO 45 -2.591 -9.759 -17.777 289 HG2 PRO 45 HG2 PRO 45 -2.754 -12.197 -19.506 290 HG3 PRO 45 HG3 PRO 45 -2.141 -10.582 -19.905 291 HD2 PRO 45 HD2 PRO 45 -0.505 -12.650 -19.292 292 HD3 PRO 45 HD3 PRO 45 -0.106 -10.966 -18.894 293 H LYS 46 H LYS 46 -3.755 -11.859 -14.755 294 HA LYS 46 HA LYS 46 -4.273 -14.661 -14.948 295 HB2 LYS 46 HB2 LYS 46 -4.270 -13.176 -12.842 296 HB3 LYS 46 HB3 LYS 46 -5.898 -12.716 -13.325 297 HG2 LYS 46 HG2 LYS 46 -6.530 -15.113 -13.285 298 HG3 LYS 46 HG3 LYS 46 -4.923 -15.484 -12.657 299 HD2 LYS 46 HD2 LYS 46 -6.264 -15.362 -10.747 300 HD3 LYS 46 HD3 LYS 46 -5.468 -13.788 -10.810 301 HE2 LYS 46 HE2 LYS 46 -7.421 -12.748 -11.686 302 HE3 LYS 46 HE3 LYS 46 -8.204 -14.304 -11.953 303 HZ1 LYS 46 HZ1 LYS 46 -8.534 -12.737 -9.772 304 HZ2 LYS 46 HZ2 LYS 46 -7.413 -13.878 -9.224 305 HZ3 LYS 46 HZ3 LYS 46 -8.901 -14.387 -9.852 306 H ALA 47 H ALA 47 -5.689 -15.628 -16.230 307 HA ALA 47 HA ALA 47 -7.835 -14.032 -17.437 308 HB1 ALA 47 HB1 ALA 47 -7.999 -15.913 -19.060 309 HB2 ALA 47 HB2 ALA 47 -6.430 -15.106 -19.053 310 HB3 ALA 47 HB3 ALA 47 -6.623 -16.666 -18.254 Start of MODEL 16 1 H1 SER 1 H SER 1 2.682 -1.707 1.442 2 HA SER 1 HA SER 1 1.784 -2.137 -1.297 3 HB2 SER 1 HB2 SER 1 3.425 -0.113 -1.638 4 HB3 SER 1 HB3 SER 1 1.848 0.147 -0.896 5 HG SER 1 HG SER 1 2.839 0.784 0.831 6 H LYS 2 H LYS 2 2.991 -3.010 -2.884 7 HA LYS 2 HA LYS 2 5.835 -3.516 -2.399 8 HB2 LYS 2 HB2 LYS 2 4.196 -5.511 -1.856 9 HB3 LYS 2 HB3 LYS 2 4.197 -5.706 -3.604 10 HG2 LYS 2 HG2 LYS 2 6.623 -5.947 -3.585 11 HG3 LYS 2 HG3 LYS 2 6.633 -5.730 -1.833 12 HD2 LYS 2 HD2 LYS 2 5.654 -7.791 -1.442 13 HD3 LYS 2 HD3 LYS 2 4.948 -7.875 -3.057 14 HE2 LYS 2 HE2 LYS 2 6.755 -9.457 -2.908 15 HE3 LYS 2 HE3 LYS 2 7.226 -8.147 -3.990 16 HZ1 LYS 2 HZ1 LYS 2 9.064 -8.091 -2.744 17 HZ2 LYS 2 HZ2 LYS 2 8.361 -8.941 -1.461 18 HZ3 LYS 2 HZ3 LYS 2 8.117 -7.273 -1.605 19 H GLU 3 H GLU 3 7.024 -4.076 -4.358 20 HA GLU 3 HA GLU 3 5.762 -2.898 -6.743 21 HB2 GLU 3 HB2 GLU 3 8.596 -2.901 -5.748 22 HB3 GLU 3 HB3 GLU 3 8.248 -2.640 -7.451 23 HG2 GLU 3 HG2 GLU 3 6.679 -0.789 -6.670 24 HG3 GLU 3 HG3 GLU 3 7.475 -0.943 -5.105 25 H CYS 4 H CYS 4 4.853 -4.800 -7.537 26 HA CYS 4 HA CYS 4 6.462 -7.154 -7.946 27 HB2 CYS 4 HB2 CYS 4 4.451 -8.058 -9.048 28 HB3 CYS 4 HB3 CYS 4 4.079 -7.380 -7.467 29 H MET 5 H MET 5 5.898 -8.116 -10.369 30 HA MET 5 HA MET 5 6.970 -6.100 -12.233 31 HB2 MET 5 HB2 MET 5 7.512 -9.067 -12.364 32 HB3 MET 5 HB3 MET 5 8.289 -7.793 -13.295 33 HG2 MET 5 HG2 MET 5 9.346 -6.935 -11.293 34 HG3 MET 5 HG3 MET 5 8.519 -8.147 -10.316 35 HE1 MET 5 HE1 MET 5 9.003 -10.939 -12.321 36 HE2 MET 5 HE2 MET 5 10.173 -11.421 -11.092 37 HE3 MET 5 HE3 MET 5 8.700 -10.571 -10.623 38 H THR 6 H THR 6 6.521 -6.600 -14.547 39 HA THR 6 HA THR 6 3.735 -7.442 -14.818 40 HB THR 6 HB THR 6 4.043 -6.485 -17.183 41 HG1 THR 6 HG1 THR 6 6.137 -6.137 -17.507 42 HG21 THR 6 HG21 THR 6 4.201 -4.779 -14.703 43 HG22 THR 6 HG22 THR 6 2.761 -5.258 -15.600 44 HG23 THR 6 HG23 THR 6 3.904 -4.117 -16.309 45 H ASP 7 H ASP 7 3.324 -8.390 -17.165 46 HA ASP 7 HA ASP 7 4.486 -10.974 -17.170 47 HB2 ASP 7 HB2 ASP 7 3.166 -11.360 -19.189 48 HB3 ASP 7 HB3 ASP 7 2.197 -10.532 -17.972 49 H GLY 8 H GLY 8 5.813 -11.964 -18.749 50 HA2 GLY 8 HA2 GLY 8 7.166 -11.843 -20.741 51 HA3 GLY 8 HA3 GLY 8 7.313 -10.111 -20.480 52 H THR 9 H THR 9 7.717 -10.836 -17.511 53 HA THR 9 HA THR 9 10.614 -11.134 -17.746 54 HB THR 9 HB THR 9 8.917 -10.361 -15.364 55 HG1 THR 9 HG1 THR 9 9.981 -8.290 -15.806 56 HG21 THR 9 HG21 THR 9 11.000 -11.468 -14.690 57 HG22 THR 9 HG22 THR 9 11.030 -9.750 -14.295 58 HG23 THR 9 HG23 THR 9 11.920 -10.350 -15.695 59 H VAL 10 H VAL 10 11.619 -12.978 -17.300 60 HA VAL 10 HA VAL 10 10.369 -15.377 -16.746 61 HB VAL 10 HB VAL 10 13.212 -14.613 -16.058 62 HG11 VAL 10 HG11 VAL 10 13.175 -17.288 -16.692 63 HG12 VAL 10 HG12 VAL 10 13.261 -16.613 -15.064 64 HG13 VAL 10 HG13 VAL 10 11.703 -17.084 -15.744 65 HG21 VAL 10 HG21 VAL 10 12.427 -14.323 -18.458 66 HG22 VAL 10 HG22 VAL 10 13.836 -15.352 -18.207 67 HG23 VAL 10 HG23 VAL 10 12.256 -16.077 -18.504 68 H CYS 11 H CYS 11 9.628 -16.370 -14.975 69 HA CYS 11 HA CYS 11 10.424 -15.360 -12.337 70 HB2 CYS 11 HB2 CYS 11 8.140 -15.354 -11.548 71 HB3 CYS 11 HB3 CYS 11 8.246 -14.340 -12.983 72 H TYR 12 H TYR 12 10.121 -16.868 -10.603 73 HA TYR 12 HA TYR 12 9.673 -19.648 -11.437 74 HB2 TYR 12 HB2 TYR 12 12.127 -18.465 -10.285 75 HB3 TYR 12 HB3 TYR 12 11.613 -19.995 -9.582 76 HD1 TYR 12 HD1 TYR 12 11.336 -21.993 -11.089 77 HD2 TYR 12 HD2 TYR 12 13.177 -18.387 -12.398 78 HE1 TYR 12 HE1 TYR 12 12.361 -23.204 -12.969 79 HE2 TYR 12 HE2 TYR 12 14.206 -19.588 -14.281 80 HH TYR 12 HH TYR 12 14.873 -22.175 -14.669 81 H ILE 13 H ILE 13 8.476 -20.825 -10.059 82 HA ILE 13 HA ILE 13 7.104 -19.566 -7.937 83 HB ILE 13 HB ILE 13 7.340 -22.540 -8.380 84 HG12 ILE 13 HG12 ILE 13 6.694 -21.491 -10.477 85 HG13 ILE 13 HG13 ILE 13 5.304 -22.311 -9.773 86 HG21 ILE 13 HG21 ILE 13 5.906 -22.717 -6.698 87 HG22 ILE 13 HG22 ILE 13 5.975 -20.972 -6.462 88 HG23 ILE 13 HG23 ILE 13 4.766 -21.668 -7.540 89 HD11 ILE 13 HD11 ILE 13 4.864 -19.911 -8.763 90 HD12 ILE 13 HD12 ILE 13 5.807 -19.421 -10.171 91 HD13 ILE 13 HD13 ILE 13 4.329 -20.358 -10.382 92 H HIS 14 H HIS 14 10.088 -21.290 -8.091 93 HA HIS 14 HA HIS 14 10.200 -21.442 -5.154 94 HB2 HIS 14 HB2 HIS 14 10.628 -23.484 -6.779 95 HB3 HIS 14 HB3 HIS 14 12.235 -22.774 -6.892 96 HD1 HIS 14 HD1 HIS 14 13.704 -24.125 -5.435 97 HD2 HIS 14 HD2 HIS 14 10.023 -23.387 -3.656 98 HE1 HIS 14 HE1 HIS 14 13.861 -25.116 -3.129 99 H ASN 15 H ASN 15 10.584 -18.989 -6.614 100 HA ASN 15 HA ASN 15 13.380 -18.449 -5.870 101 HB2 ASN 15 HB2 ASN 15 11.946 -17.821 -8.401 102 HB3 ASN 15 HB3 ASN 15 13.046 -16.596 -7.774 103 HD21 ASN 15 HD21 ASN 15 12.991 -20.125 -8.178 104 HD22 ASN 15 HD22 ASN 15 14.582 -20.241 -8.842 105 H HIS 16 H HIS 16 10.576 -18.059 -4.672 106 HA HIS 16 HA HIS 16 9.437 -16.499 -3.461 107 HB2 HIS 16 HB2 HIS 16 11.857 -16.544 -2.468 108 HB3 HIS 16 HB3 HIS 16 11.984 -14.939 -3.185 109 HD1 HIS 16 HD1 HIS 16 10.057 -16.839 -0.563 110 HD2 HIS 16 HD2 HIS 16 10.697 -12.928 -1.805 111 HE1 HIS 16 HE1 HIS 16 9.029 -15.392 1.218 112 H ASN 17 H ASN 17 9.640 -16.066 -6.344 113 HA ASN 17 HA ASN 17 9.820 -13.189 -6.669 114 HB2 ASN 17 HB2 ASN 17 9.573 -15.536 -8.471 115 HB3 ASN 17 HB3 ASN 17 8.885 -14.022 -9.050 116 HD21 ASN 17 HD21 ASN 17 11.749 -14.658 -7.073 117 HD22 ASN 17 HD22 ASN 17 12.874 -13.914 -8.155 118 H ASP 18 H ASP 18 8.170 -11.829 -6.496 119 HA ASP 18 HA ASP 18 5.446 -12.942 -6.430 120 HB2 ASP 18 HB2 ASP 18 6.563 -11.615 -4.434 121 HB3 ASP 18 HB3 ASP 18 6.069 -10.215 -5.382 122 H CYS 19 H CYS 19 4.508 -12.715 -8.357 123 HA CYS 19 HA CYS 19 4.863 -10.166 -9.790 124 HB2 CYS 19 HB2 CYS 19 4.719 -12.977 -10.695 125 HB3 CYS 19 HB3 CYS 19 3.831 -11.817 -11.678 126 H CYS 20 H CYS 20 3.129 -8.931 -10.185 127 HA CYS 20 HA CYS 20 0.731 -9.238 -8.850 128 HB2 CYS 20 HB2 CYS 20 1.651 -7.571 -11.135 129 HB3 CYS 20 HB3 CYS 20 -0.086 -7.676 -10.865 130 H GLY 21 H GLY 21 1.734 -10.568 -11.904 131 HA2 GLY 21 HA2 GLY 21 -0.997 -11.527 -12.430 132 HA3 GLY 21 HA3 GLY 21 0.314 -11.487 -13.599 133 H SER 22 H SER 22 -0.977 -13.761 -13.572 134 HA SER 22 HA SER 22 0.353 -15.600 -11.726 135 HB2 SER 22 HB2 SER 22 -2.130 -15.665 -13.335 136 HB3 SER 22 HB3 SER 22 -1.270 -17.197 -13.197 137 HG SER 22 HG SER 22 -1.257 -16.719 -10.858 138 H CYS 23 H CYS 23 1.872 -17.034 -12.333 139 HA CYS 23 HA CYS 23 3.198 -16.683 -14.821 140 HB2 CYS 23 HB2 CYS 23 3.521 -18.600 -12.528 141 HB3 CYS 23 HB3 CYS 23 4.459 -18.796 -14.005 142 H LEU 24 H LEU 24 2.878 -17.654 -16.713 143 HA LEU 24 HA LEU 24 1.110 -20.009 -16.781 144 HB2 LEU 24 HB2 LEU 24 1.557 -17.805 -18.777 145 HB3 LEU 24 HB3 LEU 24 0.720 -19.303 -19.179 146 HG LEU 24 HG LEU 24 -0.168 -17.270 -17.133 147 HD11 LEU 24 HD11 LEU 24 -2.137 -17.303 -18.903 148 HD12 LEU 24 HD12 LEU 24 -0.819 -17.746 -19.987 149 HD13 LEU 24 HD13 LEU 24 -0.742 -16.238 -19.075 150 HD21 LEU 24 HD21 LEU 24 -2.207 -19.095 -17.882 151 HD22 LEU 24 HD22 LEU 24 -1.486 -18.842 -16.292 152 HD23 LEU 24 HD23 LEU 24 -0.790 -20.027 -17.398 153 H CYS 25 H CYS 25 2.173 -21.836 -17.126 154 HA CYS 25 HA CYS 25 4.760 -21.818 -18.444 155 HB2 CYS 25 HB2 CYS 25 3.258 -24.211 -17.380 156 HB3 CYS 25 HB3 CYS 25 4.984 -24.083 -17.705 157 H SER 26 H SER 26 5.121 -22.365 -20.496 158 HA SER 26 HA SER 26 2.848 -23.231 -22.115 159 HB2 SER 26 HB2 SER 26 4.576 -21.277 -22.631 160 HB3 SER 26 HB3 SER 26 5.503 -22.606 -23.327 161 HG SER 26 HG SER 26 4.248 -22.411 -24.988 162 H ASN 27 H ASN 27 2.606 -25.275 -22.702 163 HA ASN 27 HA ASN 27 4.959 -27.046 -22.626 164 HB2 ASN 27 HB2 ASN 27 2.074 -27.517 -21.936 165 HB3 ASN 27 HB3 ASN 27 3.107 -28.864 -22.408 166 HD21 ASN 27 HD21 ASN 27 1.837 -28.456 -19.881 167 HD22 ASN 27 HD22 ASN 27 3.088 -28.342 -18.695 168 H GLY 28 H GLY 28 3.993 -25.381 -24.872 169 HA2 GLY 28 HA2 GLY 28 2.625 -26.900 -26.791 170 HA3 GLY 28 HA3 GLY 28 3.717 -25.568 -27.142 171 HA PRO 29 HA PRO 29 5.526 -29.484 -28.872 172 HB2 PRO 29 HB2 PRO 29 6.055 -28.444 -31.323 173 HB3 PRO 29 HB3 PRO 29 4.500 -29.171 -30.903 174 HG2 PRO 29 HG2 PRO 29 5.276 -26.281 -30.998 175 HG3 PRO 29 HG3 PRO 29 3.793 -27.061 -31.578 176 HD2 PRO 29 HD2 PRO 29 3.916 -25.732 -29.222 177 HD3 PRO 29 HD3 PRO 29 2.860 -27.137 -29.471 178 H ILE 30 H ILE 30 7.648 -29.909 -28.705 179 HA ILE 30 HA ILE 30 9.531 -27.643 -28.828 180 HB ILE 30 HB ILE 30 10.931 -28.993 -27.189 181 HG12 ILE 30 HG12 ILE 30 8.515 -30.231 -26.071 182 HG13 ILE 30 HG13 ILE 30 9.020 -30.922 -27.609 183 HG21 ILE 30 HG21 ILE 30 9.635 -28.173 -25.232 184 HG22 ILE 30 HG22 ILE 30 9.845 -26.969 -26.503 185 HG23 ILE 30 HG23 ILE 30 8.302 -27.803 -26.326 186 HD11 ILE 30 HD11 ILE 30 10.514 -32.137 -26.530 187 HD12 ILE 30 HD12 ILE 30 11.337 -30.657 -26.034 188 HD13 ILE 30 HD13 ILE 30 10.085 -31.357 -25.007 189 H ALA 31 H ALA 31 10.356 -27.936 -30.842 190 HA ALA 31 HA ALA 31 11.195 -30.585 -31.705 191 HB1 ALA 31 HB1 ALA 31 10.813 -27.952 -33.028 192 HB2 ALA 31 HB2 ALA 31 11.953 -29.090 -33.750 193 HB3 ALA 31 HB3 ALA 31 10.268 -29.557 -33.518 194 H ARG 32 H ARG 32 12.573 -27.571 -30.595 195 HA ARG 32 HA ARG 32 15.191 -28.868 -30.451 196 HB2 ARG 32 HB2 ARG 32 14.614 -26.235 -31.798 197 HB3 ARG 32 HB3 ARG 32 16.216 -26.652 -31.206 198 HG2 ARG 32 HG2 ARG 32 14.749 -28.461 -33.088 199 HG3 ARG 32 HG3 ARG 32 15.670 -27.075 -33.675 200 HD2 ARG 32 HD2 ARG 32 17.696 -27.938 -32.865 201 HD3 ARG 32 HD3 ARG 32 16.879 -29.101 -31.821 202 HE ARG 32 HE ARG 32 16.251 -29.604 -34.530 203 HH11 ARG 32 HH11 ARG 32 18.839 -29.906 -32.222 204 HH12 ARG 32 HH12 ARG 32 19.566 -31.262 -33.018 205 HH21 ARG 32 HH21 ARG 32 17.198 -31.390 -35.588 206 HH22 ARG 32 HH22 ARG 32 18.633 -32.104 -34.933 207 HA PRO 33 HA PRO 33 13.973 -26.637 -26.564 208 HB2 PRO 33 HB2 PRO 33 14.623 -28.687 -24.906 209 HB3 PRO 33 HB3 PRO 33 13.039 -28.541 -25.676 210 HG2 PRO 33 HG2 PRO 33 15.384 -30.220 -26.474 211 HG3 PRO 33 HG3 PRO 33 13.664 -30.648 -26.433 212 HD2 PRO 33 HD2 PRO 33 14.945 -29.982 -28.724 213 HD3 PRO 33 HD3 PRO 33 13.230 -29.616 -28.447 214 H TRP 34 H TRP 34 16.785 -28.141 -27.832 215 HA TRP 34 HA TRP 34 18.597 -27.568 -25.728 216 HB2 TRP 34 HB2 TRP 34 18.913 -28.195 -28.650 217 HB3 TRP 34 HB3 TRP 34 20.306 -27.728 -27.678 218 HD1 TRP 34 HD1 TRP 34 17.404 -30.265 -27.116 219 HE1 TRP 34 HE1 TRP 34 18.444 -32.473 -26.299 220 HE3 TRP 34 HE3 TRP 34 22.332 -28.904 -27.156 221 HZ2 TRP 34 HZ2 TRP 34 21.014 -33.501 -25.744 222 HZ3 TRP 34 HZ3 TRP 34 24.017 -30.558 -26.467 223 HH2 TRP 34 HH2 TRP 34 23.370 -32.808 -25.775 224 H GLU 35 H GLU 35 17.354 -25.714 -28.416 225 HA GLU 35 HA GLU 35 19.046 -23.447 -27.589 226 HB2 GLU 35 HB2 GLU 35 18.637 -22.554 -29.893 227 HB3 GLU 35 HB3 GLU 35 19.582 -24.035 -29.844 228 HG2 GLU 35 HG2 GLU 35 17.455 -25.283 -30.319 229 HG3 GLU 35 HG3 GLU 35 16.696 -23.720 -30.614 230 H MET 36 H MET 36 15.811 -24.451 -28.575 231 HA MET 36 HA MET 36 14.769 -21.901 -27.531 232 HB2 MET 36 HB2 MET 36 13.764 -23.706 -29.719 233 HB3 MET 36 HB3 MET 36 12.715 -22.528 -28.943 234 HG2 MET 36 HG2 MET 36 13.961 -20.718 -29.750 235 HG3 MET 36 HG3 MET 36 15.331 -21.742 -30.172 236 HE1 MET 36 HE1 MET 36 12.038 -20.069 -31.938 237 HE2 MET 36 HE2 MET 36 13.653 -19.493 -31.523 238 HE3 MET 36 HE3 MET 36 13.277 -19.942 -33.188 239 H MET 37 H MET 37 14.874 -22.885 -25.392 240 HA MET 37 HA MET 37 13.058 -25.088 -24.862 241 HB2 MET 37 HB2 MET 37 15.298 -24.841 -23.732 242 HB3 MET 37 HB3 MET 37 14.638 -23.460 -22.869 243 HG2 MET 37 HG2 MET 37 14.320 -25.116 -21.335 244 HG3 MET 37 HG3 MET 37 12.774 -25.152 -22.181 245 HE1 MET 37 HE1 MET 37 14.245 -27.629 -20.360 246 HE2 MET 37 HE2 MET 37 12.568 -27.469 -20.887 247 HE3 MET 37 HE3 MET 37 13.488 -28.918 -21.296 248 H VAL 38 H VAL 38 10.974 -24.443 -25.051 249 HA VAL 38 HA VAL 38 10.119 -21.957 -23.773 250 HB VAL 38 HB VAL 38 8.002 -22.261 -24.910 251 HG11 VAL 38 HG11 VAL 38 8.778 -22.183 -27.249 252 HG12 VAL 38 HG12 VAL 38 9.769 -21.195 -26.175 253 HG13 VAL 38 HG13 VAL 38 10.358 -22.765 -26.725 254 HG21 VAL 38 HG21 VAL 38 7.885 -24.226 -26.577 255 HG22 VAL 38 HG22 VAL 38 9.124 -24.964 -25.561 256 HG23 VAL 38 HG23 VAL 38 7.554 -24.545 -24.874 257 H GLY 39 H GLY 39 10.914 -24.364 -22.240 258 HA2 GLY 39 HA2 GLY 39 8.439 -25.402 -21.146 259 HA3 GLY 39 HA3 GLY 39 10.066 -25.825 -20.636 260 H ASN 40 H ASN 40 10.830 -22.994 -20.306 261 HA ASN 40 HA ASN 40 10.299 -22.700 -17.588 262 HB2 ASN 40 HB2 ASN 40 11.134 -20.644 -19.641 263 HB3 ASN 40 HB3 ASN 40 11.118 -20.346 -17.906 264 HD21 ASN 40 HD21 ASN 40 13.189 -20.754 -20.205 265 HD22 ASN 40 HD22 ASN 40 14.391 -21.740 -19.450 266 H CYS 41 H CYS 41 9.220 -20.753 -16.588 267 HA CYS 41 HA CYS 41 6.668 -20.197 -17.955 268 HB2 CYS 41 HB2 CYS 41 7.032 -20.392 -14.964 269 HB3 CYS 41 HB3 CYS 41 5.519 -20.292 -15.858 270 H MET 42 H MET 42 5.969 -18.122 -18.013 271 HA MET 42 HA MET 42 7.627 -16.112 -16.635 272 HB2 MET 42 HB2 MET 42 6.682 -16.280 -19.442 273 HB3 MET 42 HB3 MET 42 6.646 -14.690 -18.693 274 HG2 MET 42 HG2 MET 42 8.713 -14.986 -19.882 275 HG3 MET 42 HG3 MET 42 9.027 -14.906 -18.151 276 HE1 MET 42 HE1 MET 42 8.661 -18.558 -20.710 277 HE2 MET 42 HE2 MET 42 8.408 -16.869 -21.150 278 HE3 MET 42 HE3 MET 42 10.015 -17.584 -21.286 279 H CYS 43 H CYS 43 6.495 -14.014 -16.282 280 HA CYS 43 HA CYS 43 4.031 -14.461 -14.935 281 HB2 CYS 43 HB2 CYS 43 5.561 -11.938 -15.585 282 HB3 CYS 43 HB3 CYS 43 4.079 -11.949 -14.635 283 H GLY 44 H GLY 44 1.963 -13.742 -15.422 284 HA2 GLY 44 HA2 GLY 44 1.474 -12.396 -17.954 285 HA3 GLY 44 HA3 GLY 44 0.877 -14.046 -17.844 286 HA PRO 45 HA PRO 45 -2.130 -10.846 -16.007 287 HB2 PRO 45 HB2 PRO 45 -3.956 -10.827 -18.017 288 HB3 PRO 45 HB3 PRO 45 -2.591 -9.705 -17.947 289 HG2 PRO 45 HG2 PRO 45 -2.884 -12.235 -19.520 290 HG3 PRO 45 HG3 PRO 45 -2.214 -10.674 -20.027 291 HD2 PRO 45 HD2 PRO 45 -0.652 -12.767 -19.312 292 HD3 PRO 45 HD3 PRO 45 -0.178 -11.080 -19.025 293 H LYS 46 H LYS 46 -3.791 -11.565 -14.787 294 HA LYS 46 HA LYS 46 -4.519 -14.362 -14.992 295 HB2 LYS 46 HB2 LYS 46 -4.759 -12.226 -12.953 296 HB3 LYS 46 HB3 LYS 46 -6.020 -13.453 -12.939 297 HG2 LYS 46 HG2 LYS 46 -4.109 -15.153 -12.933 298 HG3 LYS 46 HG3 LYS 46 -3.075 -13.788 -12.503 299 HD2 LYS 46 HD2 LYS 46 -5.586 -14.346 -10.967 300 HD3 LYS 46 HD3 LYS 46 -4.103 -15.234 -10.616 301 HE2 LYS 46 HE2 LYS 46 -4.141 -12.237 -10.739 302 HE3 LYS 46 HE3 LYS 46 -4.595 -13.100 -9.270 303 HZ1 LYS 46 HZ1 LYS 46 -2.026 -13.590 -10.654 304 HZ2 LYS 46 HZ2 LYS 46 -2.461 -14.015 -9.076 305 HZ3 LYS 46 HZ3 LYS 46 -2.196 -12.392 -9.471 306 H ALA 47 H ALA 47 -6.555 -15.171 -15.396 307 HA ALA 47 HA ALA 47 -8.507 -13.239 -16.467 308 HB1 ALA 47 HB1 ALA 47 -8.941 -15.903 -17.445 309 HB2 ALA 47 HB2 ALA 47 -8.624 -14.418 -18.343 310 HB3 ALA 47 HB3 ALA 47 -7.280 -15.399 -17.760 Start of MODEL 17 1 H1 SER 1 H SER 1 -2.119 0.006 -7.203 2 HA SER 1 HA SER 1 -0.109 -1.502 -8.308 3 HB2 SER 1 HB2 SER 1 0.574 1.227 -7.288 4 HB3 SER 1 HB3 SER 1 0.942 0.490 -8.848 5 HG SER 1 HG SER 1 -0.711 2.128 -8.926 6 H LYS 2 H LYS 2 1.249 -2.856 -7.355 7 HA LYS 2 HA LYS 2 2.515 -2.027 -4.826 8 HB2 LYS 2 HB2 LYS 2 2.555 -4.347 -4.116 9 HB3 LYS 2 HB3 LYS 2 0.903 -3.869 -4.486 10 HG2 LYS 2 HG2 LYS 2 1.417 -4.884 -6.824 11 HG3 LYS 2 HG3 LYS 2 2.715 -5.719 -5.966 12 HD2 LYS 2 HD2 LYS 2 -0.167 -5.766 -5.089 13 HD3 LYS 2 HD3 LYS 2 0.556 -6.991 -6.132 14 HE2 LYS 2 HE2 LYS 2 1.876 -7.837 -4.450 15 HE3 LYS 2 HE3 LYS 2 1.893 -6.319 -3.554 16 HZ1 LYS 2 HZ1 LYS 2 -0.730 -7.455 -3.772 17 HZ2 LYS 2 HZ2 LYS 2 0.102 -6.917 -2.400 18 HZ3 LYS 2 HZ3 LYS 2 0.355 -8.485 -2.982 19 H GLU 3 H GLU 3 4.602 -3.281 -4.429 20 HA GLU 3 HA GLU 3 6.348 -2.811 -6.627 21 HB2 GLU 3 HB2 GLU 3 6.636 -3.775 -3.829 22 HB3 GLU 3 HB3 GLU 3 7.932 -4.164 -4.951 23 HG2 GLU 3 HG2 GLU 3 8.141 -1.764 -5.485 24 HG3 GLU 3 HG3 GLU 3 6.914 -1.416 -4.268 25 H CYS 4 H CYS 4 5.487 -4.182 -8.266 26 HA CYS 4 HA CYS 4 6.493 -6.925 -8.066 27 HB2 CYS 4 HB2 CYS 4 4.434 -7.758 -9.212 28 HB3 CYS 4 HB3 CYS 4 4.147 -7.168 -7.577 29 H MET 5 H MET 5 5.925 -7.938 -10.452 30 HA MET 5 HA MET 5 7.035 -5.993 -12.369 31 HB2 MET 5 HB2 MET 5 7.477 -8.981 -12.392 32 HB3 MET 5 HB3 MET 5 8.250 -7.788 -13.427 33 HG2 MET 5 HG2 MET 5 9.363 -6.823 -11.472 34 HG3 MET 5 HG3 MET 5 8.600 -8.038 -10.448 35 HE1 MET 5 HE1 MET 5 8.990 -10.793 -12.469 36 HE2 MET 5 HE2 MET 5 10.268 -11.313 -11.370 37 HE3 MET 5 HE3 MET 5 8.840 -10.492 -10.738 38 H THR 6 H THR 6 6.552 -6.514 -14.669 39 HA THR 6 HA THR 6 3.736 -7.252 -14.911 40 HB THR 6 HB THR 6 3.853 -6.254 -17.156 41 HG1 THR 6 HG1 THR 6 5.996 -4.990 -17.390 42 HG21 THR 6 HG21 THR 6 5.150 -4.093 -15.697 43 HG22 THR 6 HG22 THR 6 3.928 -4.926 -14.737 44 HG23 THR 6 HG23 THR 6 3.496 -4.218 -16.294 45 H ASP 7 H ASP 7 3.274 -8.239 -17.233 46 HA ASP 7 HA ASP 7 4.355 -10.865 -17.180 47 HB2 ASP 7 HB2 ASP 7 2.875 -9.748 -19.542 48 HB3 ASP 7 HB3 ASP 7 2.830 -11.377 -18.876 49 H GLY 8 H GLY 8 5.611 -11.933 -18.767 50 HA2 GLY 8 HA2 GLY 8 6.918 -11.912 -20.787 51 HA3 GLY 8 HA3 GLY 8 7.098 -10.173 -20.602 52 H THR 9 H THR 9 7.580 -10.764 -17.622 53 HA THR 9 HA THR 9 10.463 -11.107 -17.921 54 HB THR 9 HB THR 9 8.834 -10.259 -15.518 55 HG1 THR 9 HG1 THR 9 8.838 -8.617 -17.011 56 HG21 THR 9 HG21 THR 9 11.827 -10.272 -15.925 57 HG22 THR 9 HG22 THR 9 10.929 -11.363 -14.869 58 HG23 THR 9 HG23 THR 9 10.976 -9.635 -14.520 59 H VAL 10 H VAL 10 11.515 -12.902 -17.361 60 HA VAL 10 HA VAL 10 10.293 -15.307 -16.777 61 HB VAL 10 HB VAL 10 13.102 -14.487 -16.022 62 HG11 VAL 10 HG11 VAL 10 13.010 -16.465 -14.939 63 HG12 VAL 10 HG12 VAL 10 11.629 -17.037 -15.876 64 HG13 VAL 10 HG13 VAL 10 13.254 -17.120 -16.558 65 HG21 VAL 10 HG21 VAL 10 11.818 -15.190 -18.573 66 HG22 VAL 10 HG22 VAL 10 13.276 -14.249 -18.256 67 HG23 VAL 10 HG23 VAL 10 13.344 -16.011 -18.245 68 H CYS 11 H CYS 11 9.877 -16.480 -14.934 69 HA CYS 11 HA CYS 11 10.484 -15.332 -12.332 70 HB2 CYS 11 HB2 CYS 11 8.210 -15.302 -11.558 71 HB3 CYS 11 HB3 CYS 11 8.287 -14.359 -13.043 72 H TYR 12 H TYR 12 9.721 -16.836 -10.549 73 HA TYR 12 HA TYR 12 9.452 -19.619 -11.360 74 HB2 TYR 12 HB2 TYR 12 11.891 -18.455 -10.113 75 HB3 TYR 12 HB3 TYR 12 11.361 -20.030 -9.535 76 HD1 TYR 12 HD1 TYR 12 11.410 -21.977 -10.999 77 HD2 TYR 12 HD2 TYR 12 12.734 -18.173 -12.369 78 HE1 TYR 12 HE1 TYR 12 12.501 -23.055 -12.922 79 HE2 TYR 12 HE2 TYR 12 13.827 -19.240 -14.297 80 HH TYR 12 HH TYR 12 14.452 -21.195 -15.210 81 H ILE 13 H ILE 13 8.298 -20.806 -9.938 82 HA ILE 13 HA ILE 13 6.937 -19.466 -7.824 83 HB ILE 13 HB ILE 13 7.018 -22.423 -8.439 84 HG12 ILE 13 HG12 ILE 13 4.604 -21.580 -9.310 85 HG13 ILE 13 HG13 ILE 13 5.558 -20.135 -9.628 86 HG21 ILE 13 HG21 ILE 13 5.706 -20.850 -6.376 87 HG22 ILE 13 HG22 ILE 13 4.573 -21.815 -7.323 88 HG23 ILE 13 HG23 ILE 13 5.925 -22.596 -6.501 89 HD11 ILE 13 HD11 ILE 13 5.321 -22.392 -11.233 90 HD12 ILE 13 HD12 ILE 13 6.450 -21.052 -11.433 91 HD13 ILE 13 HD13 ILE 13 6.937 -22.489 -10.535 92 H HIS 14 H HIS 14 9.848 -21.284 -8.018 93 HA HIS 14 HA HIS 14 9.953 -21.507 -5.084 94 HB2 HIS 14 HB2 HIS 14 10.232 -23.573 -6.661 95 HB3 HIS 14 HB3 HIS 14 11.855 -22.936 -6.911 96 HD1 HIS 14 HD1 HIS 14 13.412 -24.239 -5.515 97 HD2 HIS 14 HD2 HIS 14 9.838 -23.487 -3.536 98 HE1 HIS 14 HE1 HIS 14 13.696 -25.222 -3.218 99 H ASN 15 H ASN 15 10.478 -19.073 -6.571 100 HA ASN 15 HA ASN 15 13.289 -18.683 -5.792 101 HB2 ASN 15 HB2 ASN 15 12.829 -18.759 -8.327 102 HB3 ASN 15 HB3 ASN 15 12.039 -17.202 -8.097 103 HD21 ASN 15 HD21 ASN 15 13.245 -15.406 -7.889 104 HD22 ASN 15 HD22 ASN 15 14.972 -15.381 -7.923 105 H HIS 16 H HIS 16 10.555 -18.145 -4.569 106 HA HIS 16 HA HIS 16 9.497 -16.520 -3.371 107 HB2 HIS 16 HB2 HIS 16 12.379 -15.660 -3.224 108 HB3 HIS 16 HB3 HIS 16 11.110 -14.773 -2.384 109 HD1 HIS 16 HD1 HIS 16 13.564 -17.054 -1.576 110 HD2 HIS 16 HD2 HIS 16 9.468 -17.007 -0.886 111 HE1 HIS 16 HE1 HIS 16 13.192 -18.604 0.369 112 H ASN 17 H ASN 17 9.640 -16.172 -6.271 113 HA ASN 17 HA ASN 17 9.868 -13.303 -6.661 114 HB2 ASN 17 HB2 ASN 17 9.491 -15.671 -8.446 115 HB3 ASN 17 HB3 ASN 17 8.989 -14.088 -9.032 116 HD21 ASN 17 HD21 ASN 17 10.847 -12.412 -8.092 117 HD22 ASN 17 HD22 ASN 17 12.410 -12.813 -8.710 118 H ASP 18 H ASP 18 8.230 -11.939 -6.440 119 HA ASP 18 HA ASP 18 5.494 -13.025 -6.406 120 HB2 ASP 18 HB2 ASP 18 6.652 -10.562 -5.089 121 HB3 ASP 18 HB3 ASP 18 4.933 -10.946 -5.114 122 H CYS 19 H CYS 19 4.573 -12.760 -8.336 123 HA CYS 19 HA CYS 19 4.958 -10.190 -9.726 124 HB2 CYS 19 HB2 CYS 19 4.840 -12.980 -10.672 125 HB3 CYS 19 HB3 CYS 19 3.911 -11.834 -11.632 126 H CYS 20 H CYS 20 3.229 -8.952 -10.172 127 HA CYS 20 HA CYS 20 0.826 -9.232 -8.837 128 HB2 CYS 20 HB2 CYS 20 1.762 -7.594 -11.136 129 HB3 CYS 20 HB3 CYS 20 0.024 -7.687 -10.872 130 H GLY 21 H GLY 21 1.831 -10.603 -11.871 131 HA2 GLY 21 HA2 GLY 21 -0.904 -11.554 -12.392 132 HA3 GLY 21 HA3 GLY 21 0.407 -11.529 -13.562 133 H SER 22 H SER 22 -0.888 -13.799 -13.517 134 HA SER 22 HA SER 22 0.431 -15.625 -11.653 135 HB2 SER 22 HB2 SER 22 -2.087 -15.628 -13.134 136 HB3 SER 22 HB3 SER 22 -1.223 -17.159 -13.261 137 HG SER 22 HG SER 22 -2.604 -17.081 -11.429 138 H CYS 23 H CYS 23 1.944 -17.074 -12.240 139 HA CYS 23 HA CYS 23 3.292 -16.742 -14.720 140 HB2 CYS 23 HB2 CYS 23 3.587 -18.636 -12.407 141 HB3 CYS 23 HB3 CYS 23 4.521 -18.874 -13.881 142 H LEU 24 H LEU 24 3.044 -17.764 -16.604 143 HA LEU 24 HA LEU 24 1.306 -20.144 -16.667 144 HB2 LEU 24 HB2 LEU 24 1.565 -17.879 -18.630 145 HB3 LEU 24 HB3 LEU 24 0.771 -19.403 -19.022 146 HG LEU 24 HG LEU 24 -0.101 -17.467 -16.877 147 HD11 LEU 24 HD11 LEU 24 -0.894 -17.882 -19.715 148 HD12 LEU 24 HD12 LEU 24 -0.734 -16.388 -18.793 149 HD13 LEU 24 HD13 LEU 24 -2.130 -17.434 -18.539 150 HD21 LEU 24 HD21 LEU 24 -2.084 -19.362 -17.670 151 HD22 LEU 24 HD22 LEU 24 -1.387 -19.085 -16.073 152 HD23 LEU 24 HD23 LEU 24 -0.622 -20.221 -17.186 153 H CYS 25 H CYS 25 2.367 -21.925 -17.195 154 HA CYS 25 HA CYS 25 4.938 -21.763 -18.531 155 HB2 CYS 25 HB2 CYS 25 3.461 -24.218 -17.563 156 HB3 CYS 25 HB3 CYS 25 5.163 -24.114 -18.003 157 H SER 26 H SER 26 5.290 -22.157 -20.620 158 HA SER 26 HA SER 26 3.033 -22.780 -22.326 159 HB2 SER 26 HB2 SER 26 5.035 -21.076 -22.712 160 HB3 SER 26 HB3 SER 26 5.803 -22.502 -23.411 161 HG SER 26 HG SER 26 4.724 -21.808 -25.108 162 H ASN 27 H ASN 27 2.594 -24.698 -23.206 163 HA ASN 27 HA ASN 27 4.643 -26.809 -23.022 164 HB2 ASN 27 HB2 ASN 27 2.679 -28.403 -22.873 165 HB3 ASN 27 HB3 ASN 27 2.927 -27.372 -21.467 166 HD21 ASN 27 HD21 ASN 27 0.959 -27.947 -24.289 167 HD22 ASN 27 HD22 ASN 27 -0.400 -27.012 -23.772 168 H GLY 28 H GLY 28 4.061 -24.937 -25.230 169 HA2 GLY 28 HA2 GLY 28 2.584 -26.094 -27.291 170 HA3 GLY 28 HA3 GLY 28 3.948 -25.010 -27.520 171 HA PRO 29 HA PRO 29 4.942 -29.271 -29.197 172 HB2 PRO 29 HB2 PRO 29 5.495 -28.456 -31.727 173 HB3 PRO 29 HB3 PRO 29 3.871 -28.912 -31.197 174 HG2 PRO 29 HG2 PRO 29 5.068 -26.186 -31.498 175 HG3 PRO 29 HG3 PRO 29 3.457 -26.757 -31.965 176 HD2 PRO 29 HD2 PRO 29 3.900 -25.340 -29.701 177 HD3 PRO 29 HD3 PRO 29 2.634 -26.579 -29.819 178 H ILE 30 H ILE 30 6.982 -30.010 -29.108 179 HA ILE 30 HA ILE 30 9.175 -28.069 -29.442 180 HB ILE 30 HB ILE 30 10.447 -29.492 -27.784 181 HG12 ILE 30 HG12 ILE 30 8.018 -30.398 -26.453 182 HG13 ILE 30 HG13 ILE 30 8.232 -31.156 -28.028 183 HG21 ILE 30 HG21 ILE 30 8.288 -27.587 -27.271 184 HG22 ILE 30 HG22 ILE 30 8.732 -28.566 -25.874 185 HG23 ILE 30 HG23 ILE 30 9.955 -27.597 -26.696 186 HD11 ILE 30 HD11 ILE 30 10.704 -31.145 -26.558 187 HD12 ILE 30 HD12 ILE 30 9.410 -31.899 -25.625 188 HD13 ILE 30 HD13 ILE 30 9.800 -32.498 -27.238 189 H ALA 31 H ALA 31 10.411 -28.545 -31.123 190 HA ALA 31 HA ALA 31 10.678 -31.368 -31.927 191 HB1 ALA 31 HB1 ALA 31 10.475 -28.851 -33.511 192 HB2 ALA 31 HB2 ALA 31 11.386 -30.211 -34.169 193 HB3 ALA 31 HB3 ALA 31 9.683 -30.408 -33.758 194 H ARG 32 H ARG 32 12.366 -28.367 -31.279 195 HA ARG 32 HA ARG 32 14.881 -29.868 -31.165 196 HB2 ARG 32 HB2 ARG 32 14.579 -27.170 -32.497 197 HB3 ARG 32 HB3 ARG 32 16.087 -28.044 -32.270 198 HG2 ARG 32 HG2 ARG 32 13.797 -29.202 -33.825 199 HG3 ARG 32 HG3 ARG 32 15.005 -28.150 -34.565 200 HD2 ARG 32 HD2 ARG 32 16.757 -29.727 -33.681 201 HD3 ARG 32 HD3 ARG 32 15.444 -30.817 -33.237 202 HE ARG 32 HE ARG 32 16.524 -30.411 -35.842 203 HH11 ARG 32 HH11 ARG 32 13.597 -31.164 -34.115 204 HH12 ARG 32 HH12 ARG 32 12.883 -32.024 -35.438 205 HH21 ARG 32 HH21 ARG 32 15.594 -31.541 -37.592 206 HH22 ARG 32 HH22 ARG 32 14.021 -32.239 -37.416 207 HA PRO 33 HA PRO 33 14.117 -27.275 -27.388 208 HB2 PRO 33 HB2 PRO 33 14.739 -29.243 -25.625 209 HB3 PRO 33 HB3 PRO 33 13.117 -29.030 -26.295 210 HG2 PRO 33 HG2 PRO 33 15.270 -30.940 -27.117 211 HG3 PRO 33 HG3 PRO 33 13.532 -31.229 -26.927 212 HD2 PRO 33 HD2 PRO 33 14.685 -30.831 -29.344 213 HD3 PRO 33 HD3 PRO 33 13.026 -30.315 -28.981 214 H TRP 34 H TRP 34 16.713 -29.077 -28.726 215 HA TRP 34 HA TRP 34 18.695 -28.387 -26.782 216 HB2 TRP 34 HB2 TRP 34 18.759 -29.571 -29.539 217 HB3 TRP 34 HB3 TRP 34 20.252 -29.041 -28.771 218 HD1 TRP 34 HD1 TRP 34 17.297 -31.434 -27.993 219 HE1 TRP 34 HE1 TRP 34 18.223 -33.420 -26.641 220 HE3 TRP 34 HE3 TRP 34 22.149 -29.896 -27.516 221 HZ2 TRP 34 HZ2 TRP 34 20.686 -34.226 -25.521 222 HZ3 TRP 34 HZ3 TRP 34 23.726 -31.333 -26.290 223 HH2 TRP 34 HH2 TRP 34 23.007 -33.452 -25.313 224 H GLU 35 H GLU 35 17.409 -26.898 -29.656 225 HA GLU 35 HA GLU 35 19.493 -24.837 -29.589 226 HB2 GLU 35 HB2 GLU 35 18.789 -24.200 -31.775 227 HB3 GLU 35 HB3 GLU 35 18.884 -25.955 -31.758 228 HG2 GLU 35 HG2 GLU 35 16.488 -26.126 -31.546 229 HG3 GLU 35 HG3 GLU 35 16.346 -24.373 -31.427 230 H MET 36 H MET 36 16.104 -25.372 -29.009 231 HA MET 36 HA MET 36 15.906 -22.704 -27.848 232 HB2 MET 36 HB2 MET 36 13.684 -22.353 -28.960 233 HB3 MET 36 HB3 MET 36 15.064 -22.284 -30.048 234 HG2 MET 36 HG2 MET 36 14.578 -24.724 -30.564 235 HG3 MET 36 HG3 MET 36 13.038 -24.472 -29.744 236 HE1 MET 36 HE1 MET 36 11.235 -23.861 -30.497 237 HE2 MET 36 HE2 MET 36 10.909 -22.503 -31.574 238 HE3 MET 36 HE3 MET 36 10.944 -24.147 -32.214 239 H MET 37 H MET 37 15.447 -23.228 -25.804 240 HA MET 37 HA MET 37 13.703 -25.479 -25.214 241 HB2 MET 37 HB2 MET 37 15.579 -23.772 -23.652 242 HB3 MET 37 HB3 MET 37 14.256 -24.540 -22.785 243 HG2 MET 37 HG2 MET 37 15.041 -26.709 -23.894 244 HG3 MET 37 HG3 MET 37 16.515 -25.821 -24.273 245 HE1 MET 37 HE1 MET 37 15.552 -27.964 -20.491 246 HE2 MET 37 HE2 MET 37 14.208 -27.107 -21.243 247 HE3 MET 37 HE3 MET 37 15.132 -28.287 -22.173 248 H VAL 38 H VAL 38 11.596 -25.045 -25.469 249 HA VAL 38 HA VAL 38 10.543 -22.462 -24.570 250 HB VAL 38 HB VAL 38 8.505 -23.034 -25.769 251 HG11 VAL 38 HG11 VAL 38 11.101 -23.312 -27.243 252 HG12 VAL 38 HG12 VAL 38 9.556 -23.331 -28.095 253 HG13 VAL 38 HG13 VAL 38 10.024 -21.920 -27.147 254 HG21 VAL 38 HG21 VAL 38 9.839 -25.693 -26.015 255 HG22 VAL 38 HG22 VAL 38 8.168 -25.308 -25.599 256 HG23 VAL 38 HG23 VAL 38 8.717 -25.164 -27.269 257 H GLY 39 H GLY 39 11.369 -24.457 -22.645 258 HA2 GLY 39 HA2 GLY 39 8.766 -25.270 -21.518 259 HA3 GLY 39 HA3 GLY 39 10.301 -26.042 -21.151 260 H ASN 40 H ASN 40 9.782 -22.567 -21.286 261 HA ASN 40 HA ASN 40 10.432 -22.444 -18.421 262 HB2 ASN 40 HB2 ASN 40 10.954 -19.979 -19.048 263 HB3 ASN 40 HB3 ASN 40 12.090 -21.234 -19.533 264 HD21 ASN 40 HD21 ASN 40 12.913 -20.078 -21.238 265 HD22 ASN 40 HD22 ASN 40 12.012 -19.759 -22.678 266 H CYS 41 H CYS 41 9.414 -20.725 -17.159 267 HA CYS 41 HA CYS 41 6.700 -20.100 -18.126 268 HB2 CYS 41 HB2 CYS 41 7.472 -20.552 -15.241 269 HB3 CYS 41 HB3 CYS 41 5.848 -20.384 -15.902 270 H MET 42 H MET 42 5.994 -18.040 -17.938 271 HA MET 42 HA MET 42 7.690 -16.135 -16.469 272 HB2 MET 42 HB2 MET 42 6.692 -15.975 -19.295 273 HB3 MET 42 HB3 MET 42 6.992 -14.505 -18.378 274 HG2 MET 42 HG2 MET 42 9.243 -14.783 -18.395 275 HG3 MET 42 HG3 MET 42 9.138 -16.541 -18.420 276 HE1 MET 42 HE1 MET 42 11.374 -16.008 -20.573 277 HE2 MET 42 HE2 MET 42 10.470 -17.391 -19.956 278 HE3 MET 42 HE3 MET 42 10.549 -17.093 -21.694 279 H CYS 43 H CYS 43 6.518 -13.981 -16.187 280 HA CYS 43 HA CYS 43 4.059 -14.480 -14.849 281 HB2 CYS 43 HB2 CYS 43 5.459 -11.890 -15.541 282 HB3 CYS 43 HB3 CYS 43 4.038 -12.002 -14.508 283 H GLY 44 H GLY 44 1.978 -13.743 -15.332 284 HA2 GLY 44 HA2 GLY 44 1.477 -12.482 -17.902 285 HA3 GLY 44 HA3 GLY 44 0.895 -14.133 -17.750 286 HA PRO 45 HA PRO 45 -2.145 -10.917 -15.999 287 HB2 PRO 45 HB2 PRO 45 -3.971 -10.975 -18.006 288 HB3 PRO 45 HB3 PRO 45 -2.619 -9.837 -17.970 289 HG2 PRO 45 HG2 PRO 45 -2.887 -12.414 -19.470 290 HG3 PRO 45 HG3 PRO 45 -2.234 -10.859 -20.022 291 HD2 PRO 45 HD2 PRO 45 -0.648 -12.915 -19.250 292 HD3 PRO 45 HD3 PRO 45 -0.193 -11.215 -19.011 293 H LYS 46 H LYS 46 -3.708 -11.669 -14.697 294 HA LYS 46 HA LYS 46 -4.334 -14.439 -14.639 295 HB2 LYS 46 HB2 LYS 46 -4.286 -12.701 -12.706 296 HB3 LYS 46 HB3 LYS 46 -5.938 -12.350 -13.198 297 HG2 LYS 46 HG2 LYS 46 -6.727 -14.386 -12.506 298 HG3 LYS 46 HG3 LYS 46 -5.161 -15.178 -12.695 299 HD2 LYS 46 HD2 LYS 46 -5.303 -15.047 -10.406 300 HD3 LYS 46 HD3 LYS 46 -4.451 -13.544 -10.769 301 HE2 LYS 46 HE2 LYS 46 -6.093 -12.812 -9.326 302 HE3 LYS 46 HE3 LYS 46 -6.851 -12.539 -10.894 303 HZ1 LYS 46 HZ1 LYS 46 -8.123 -13.759 -8.986 304 HZ2 LYS 46 HZ2 LYS 46 -7.285 -15.112 -9.559 305 HZ3 LYS 46 HZ3 LYS 46 -8.308 -14.251 -10.595 306 H ALA 47 H ALA 47 -5.684 -15.442 -15.965 307 HA ALA 47 HA ALA 47 -7.818 -13.944 -17.278 308 HB1 ALA 47 HB1 ALA 47 -7.121 -16.820 -17.786 309 HB2 ALA 47 HB2 ALA 47 -7.927 -15.674 -18.858 310 HB3 ALA 47 HB3 ALA 47 -6.208 -15.494 -18.506 Start of MODEL 18 1 H1 SER 1 H SER 1 1.901 -6.338 -2.423 2 HA SER 1 HA SER 1 1.301 -3.537 -2.173 3 HB2 SER 1 HB2 SER 1 2.877 -3.747 -0.162 4 HB3 SER 1 HB3 SER 1 1.401 -4.712 -0.122 5 HG SER 1 HG SER 1 3.287 -5.908 0.462 6 H LYS 2 H LYS 2 4.375 -5.342 -2.352 7 HA LYS 2 HA LYS 2 5.954 -3.046 -2.837 8 HB2 LYS 2 HB2 LYS 2 7.756 -4.587 -3.300 9 HB3 LYS 2 HB3 LYS 2 6.834 -5.180 -1.925 10 HG2 LYS 2 HG2 LYS 2 5.681 -6.767 -3.383 11 HG3 LYS 2 HG3 LYS 2 6.611 -6.174 -4.760 12 HD2 LYS 2 HD2 LYS 2 7.803 -8.058 -4.127 13 HD3 LYS 2 HD3 LYS 2 8.673 -6.764 -3.297 14 HE2 LYS 2 HE2 LYS 2 6.429 -8.101 -1.874 15 HE3 LYS 2 HE3 LYS 2 7.948 -8.977 -2.047 16 HZ1 LYS 2 HZ1 LYS 2 8.408 -6.304 -1.211 17 HZ2 LYS 2 HZ2 LYS 2 8.861 -7.751 -0.461 18 HZ3 LYS 2 HZ3 LYS 2 7.341 -7.079 -0.150 19 H GLU 3 H GLU 3 7.415 -2.985 -4.871 20 HA GLU 3 HA GLU 3 5.695 -2.556 -7.113 21 HB2 GLU 3 HB2 GLU 3 7.580 -1.072 -6.697 22 HB3 GLU 3 HB3 GLU 3 8.705 -2.412 -6.868 23 HG2 GLU 3 HG2 GLU 3 8.320 -2.582 -9.176 24 HG3 GLU 3 HG3 GLU 3 6.874 -1.578 -9.092 25 H CYS 4 H CYS 4 4.873 -4.683 -7.476 26 HA CYS 4 HA CYS 4 6.462 -6.929 -8.035 27 HB2 CYS 4 HB2 CYS 4 4.421 -7.832 -9.138 28 HB3 CYS 4 HB3 CYS 4 4.110 -7.178 -7.532 29 H MET 5 H MET 5 5.892 -7.990 -10.406 30 HA MET 5 HA MET 5 6.963 -6.061 -12.360 31 HB2 MET 5 HB2 MET 5 7.464 -9.040 -12.341 32 HB3 MET 5 HB3 MET 5 8.219 -7.842 -13.383 33 HG2 MET 5 HG2 MET 5 9.316 -6.842 -11.445 34 HG3 MET 5 HG3 MET 5 8.558 -8.042 -10.401 35 HE1 MET 5 HE1 MET 5 10.211 -11.350 -11.448 36 HE2 MET 5 HE2 MET 5 8.783 -10.557 -10.781 37 HE3 MET 5 HE3 MET 5 8.953 -10.745 -12.527 38 H THR 6 H THR 6 6.480 -6.628 -14.647 39 HA THR 6 HA THR 6 3.691 -7.501 -14.858 40 HB THR 6 HB THR 6 3.740 -6.453 -17.104 41 HG1 THR 6 HG1 THR 6 5.887 -6.563 -17.668 42 HG21 THR 6 HG21 THR 6 4.626 -4.725 -14.793 43 HG22 THR 6 HG22 THR 6 2.971 -5.102 -15.270 44 HG23 THR 6 HG23 THR 6 3.981 -4.097 -16.309 45 H ASP 7 H ASP 7 3.259 -8.449 -17.201 46 HA ASP 7 HA ASP 7 4.476 -11.004 -17.242 47 HB2 ASP 7 HB2 ASP 7 3.121 -11.431 -19.205 48 HB3 ASP 7 HB3 ASP 7 2.160 -10.552 -18.019 49 H GLY 8 H GLY 8 5.805 -11.959 -18.841 50 HA2 GLY 8 HA2 GLY 8 7.133 -11.798 -20.845 51 HA3 GLY 8 HA3 GLY 8 7.245 -10.066 -20.580 52 H THR 9 H THR 9 7.701 -10.782 -17.619 53 HA THR 9 HA THR 9 10.600 -11.049 -17.895 54 HB THR 9 HB THR 9 8.936 -10.232 -15.506 55 HG1 THR 9 HG1 THR 9 9.052 -8.326 -16.398 56 HG21 THR 9 HG21 THR 9 11.060 -9.588 -14.480 57 HG22 THR 9 HG22 THR 9 11.933 -10.207 -15.882 58 HG23 THR 9 HG23 THR 9 11.037 -11.314 -14.843 59 H VAL 10 H VAL 10 11.672 -12.828 -17.320 60 HA VAL 10 HA VAL 10 10.476 -15.253 -16.772 61 HB VAL 10 HB VAL 10 13.258 -14.386 -15.976 62 HG11 VAL 10 HG11 VAL 10 13.682 -16.896 -16.259 63 HG12 VAL 10 HG12 VAL 10 12.856 -16.366 -14.792 64 HG13 VAL 10 HG13 VAL 10 11.934 -17.076 -16.118 65 HG21 VAL 10 HG21 VAL 10 12.574 -14.168 -18.412 66 HG22 VAL 10 HG22 VAL 10 14.000 -15.150 -18.079 67 HG23 VAL 10 HG23 VAL 10 12.456 -15.928 -18.430 68 H CYS 11 H CYS 11 9.930 -16.389 -14.967 69 HA CYS 11 HA CYS 11 10.507 -15.267 -12.337 70 HB2 CYS 11 HB2 CYS 11 8.225 -15.236 -11.618 71 HB3 CYS 11 HB3 CYS 11 8.307 -14.328 -13.125 72 H TYR 12 H TYR 12 9.743 -16.785 -10.577 73 HA TYR 12 HA TYR 12 9.496 -19.565 -11.396 74 HB2 TYR 12 HB2 TYR 12 11.923 -18.398 -10.124 75 HB3 TYR 12 HB3 TYR 12 11.399 -19.987 -9.577 76 HD1 TYR 12 HD1 TYR 12 11.449 -21.903 -11.091 77 HD2 TYR 12 HD2 TYR 12 12.805 -18.073 -12.352 78 HE1 TYR 12 HE1 TYR 12 12.557 -22.941 -13.026 79 HE2 TYR 12 HE2 TYR 12 13.918 -19.099 -14.291 80 HH TYR 12 HH TYR 12 14.119 -22.579 -14.665 81 H ILE 13 H ILE 13 8.309 -20.740 -9.998 82 HA ILE 13 HA ILE 13 6.955 -19.415 -7.876 83 HB ILE 13 HB ILE 13 7.029 -22.371 -8.497 84 HG12 ILE 13 HG12 ILE 13 4.624 -21.503 -9.390 85 HG13 ILE 13 HG13 ILE 13 5.607 -20.079 -9.716 86 HG21 ILE 13 HG21 ILE 13 5.902 -22.547 -6.583 87 HG22 ILE 13 HG22 ILE 13 5.718 -20.799 -6.442 88 HG23 ILE 13 HG23 ILE 13 4.573 -21.732 -7.406 89 HD11 ILE 13 HD11 ILE 13 5.449 -22.557 -11.149 90 HD12 ILE 13 HD12 ILE 13 6.239 -21.045 -11.599 91 HD13 ILE 13 HD13 ILE 13 7.107 -22.242 -10.638 92 H HIS 14 H HIS 14 9.854 -21.259 -8.072 93 HA HIS 14 HA HIS 14 9.951 -21.493 -5.138 94 HB2 HIS 14 HB2 HIS 14 10.251 -23.530 -6.792 95 HB3 HIS 14 HB3 HIS 14 11.896 -22.911 -6.910 96 HD1 HIS 14 HD1 HIS 14 13.215 -24.526 -5.554 97 HD2 HIS 14 HD2 HIS 14 9.765 -23.285 -3.598 98 HE1 HIS 14 HE1 HIS 14 13.355 -25.519 -3.248 99 H ASN 15 H ASN 15 10.493 -19.055 -6.616 100 HA ASN 15 HA ASN 15 13.302 -18.678 -5.820 101 HB2 ASN 15 HB2 ASN 15 12.878 -18.746 -8.353 102 HB3 ASN 15 HB3 ASN 15 12.056 -17.205 -8.136 103 HD21 ASN 15 HD21 ASN 15 13.226 -15.388 -7.969 104 HD22 ASN 15 HD22 ASN 15 14.953 -15.330 -7.963 105 H HIS 16 H HIS 16 10.569 -18.135 -4.603 106 HA HIS 16 HA HIS 16 9.520 -16.515 -3.392 107 HB2 HIS 16 HB2 HIS 16 12.413 -15.740 -3.246 108 HB3 HIS 16 HB3 HIS 16 11.192 -14.714 -2.499 109 HD1 HIS 16 HD1 HIS 16 12.967 -17.950 -2.099 110 HD2 HIS 16 HD2 HIS 16 9.885 -15.857 -0.262 111 HE1 HIS 16 HE1 HIS 16 12.585 -19.109 0.099 112 H ASN 17 H ASN 17 9.663 -16.172 -6.303 113 HA ASN 17 HA ASN 17 9.865 -13.305 -6.701 114 HB2 ASN 17 HB2 ASN 17 9.484 -15.681 -8.471 115 HB3 ASN 17 HB3 ASN 17 8.965 -14.104 -9.060 116 HD21 ASN 17 HD21 ASN 17 10.819 -12.410 -8.148 117 HD22 ASN 17 HD22 ASN 17 12.379 -12.802 -8.779 118 H ASP 18 H ASP 18 8.225 -11.946 -6.467 119 HA ASP 18 HA ASP 18 5.493 -13.040 -6.405 120 HB2 ASP 18 HB2 ASP 18 6.623 -10.540 -5.130 121 HB3 ASP 18 HB3 ASP 18 4.922 -10.999 -5.093 122 H CYS 19 H CYS 19 4.553 -12.785 -8.327 123 HA CYS 19 HA CYS 19 4.917 -10.220 -9.730 124 HB2 CYS 19 HB2 CYS 19 4.778 -13.016 -10.668 125 HB3 CYS 19 HB3 CYS 19 3.866 -11.857 -11.629 126 H CYS 20 H CYS 20 3.186 -8.976 -10.120 127 HA CYS 20 HA CYS 20 0.793 -9.273 -8.778 128 HB2 CYS 20 HB2 CYS 20 1.715 -7.610 -11.063 129 HB3 CYS 20 HB3 CYS 20 -0.024 -7.716 -10.804 130 H GLY 21 H GLY 21 1.769 -10.598 -11.846 131 HA2 GLY 21 HA2 GLY 21 -0.966 -11.562 -12.341 132 HA3 GLY 21 HA3 GLY 21 0.330 -11.515 -13.527 133 H SER 22 H SER 22 -0.952 -13.793 -13.496 134 HA SER 22 HA SER 22 0.401 -15.634 -11.671 135 HB2 SER 22 HB2 SER 22 -2.133 -15.637 -13.132 136 HB3 SER 22 HB3 SER 22 -1.261 -17.164 -13.265 137 HG SER 22 HG SER 22 -2.639 -17.082 -11.425 138 H CYS 23 H CYS 23 1.947 -17.024 -12.290 139 HA CYS 23 HA CYS 23 3.230 -16.671 -14.801 140 HB2 CYS 23 HB2 CYS 23 3.623 -18.543 -12.485 141 HB3 CYS 23 HB3 CYS 23 4.525 -18.773 -13.979 142 H LEU 24 H LEU 24 2.965 -17.708 -16.673 143 HA LEU 24 HA LEU 24 1.227 -20.087 -16.697 144 HB2 LEU 24 HB2 LEU 24 1.577 -17.892 -18.724 145 HB3 LEU 24 HB3 LEU 24 0.757 -19.409 -19.084 146 HG LEU 24 HG LEU 24 -0.117 -17.399 -17.009 147 HD11 LEU 24 HD11 LEU 24 -0.701 -16.324 -18.930 148 HD12 LEU 24 HD12 LEU 24 -2.101 -17.382 -18.754 149 HD13 LEU 24 HD13 LEU 24 -0.805 -17.815 -19.868 150 HD21 LEU 24 HD21 LEU 24 -2.114 -19.277 -17.848 151 HD22 LEU 24 HD22 LEU 24 -1.500 -18.949 -16.227 152 HD23 LEU 24 HD23 LEU 24 -0.694 -20.138 -17.253 153 H CYS 25 H CYS 25 2.273 -21.902 -17.132 154 HA CYS 25 HA CYS 25 4.857 -21.819 -18.466 155 HB2 CYS 25 HB2 CYS 25 3.417 -24.242 -17.380 156 HB3 CYS 25 HB3 CYS 25 5.132 -24.089 -17.748 157 H SER 26 H SER 26 5.195 -22.349 -20.526 158 HA SER 26 HA SER 26 2.914 -23.260 -22.110 159 HB2 SER 26 HB2 SER 26 4.594 -21.262 -22.642 160 HB3 SER 26 HB3 SER 26 5.526 -22.567 -23.374 161 HG SER 26 HG SER 26 2.834 -21.884 -23.967 162 H ASN 27 H ASN 27 2.698 -25.337 -22.568 163 HA ASN 27 HA ASN 27 5.099 -27.040 -22.577 164 HB2 ASN 27 HB2 ASN 27 2.217 -27.616 -21.919 165 HB3 ASN 27 HB3 ASN 27 3.345 -28.911 -22.311 166 HD21 ASN 27 HD21 ASN 27 2.470 -29.354 -20.016 167 HD22 ASN 27 HD22 ASN 27 3.475 -28.794 -18.727 168 H GLY 28 H GLY 28 4.091 -25.397 -24.815 169 HA2 GLY 28 HA2 GLY 28 2.692 -26.799 -26.743 170 HA3 GLY 28 HA3 GLY 28 3.944 -25.618 -27.097 171 HA PRO 29 HA PRO 29 5.180 -29.982 -28.439 172 HB2 PRO 29 HB2 PRO 29 5.155 -29.532 -31.116 173 HB3 PRO 29 HB3 PRO 29 3.741 -30.106 -30.225 174 HG2 PRO 29 HG2 PRO 29 4.413 -27.332 -31.128 175 HG3 PRO 29 HG3 PRO 29 2.859 -28.183 -31.191 176 HD2 PRO 29 HD2 PRO 29 3.447 -26.363 -29.275 177 HD3 PRO 29 HD3 PRO 29 2.396 -27.761 -28.973 178 H ILE 30 H ILE 30 7.287 -30.464 -28.779 179 HA ILE 30 HA ILE 30 9.056 -28.288 -29.686 180 HB ILE 30 HB ILE 30 10.821 -29.382 -28.227 181 HG12 ILE 30 HG12 ILE 30 8.778 -30.416 -26.396 182 HG13 ILE 30 HG13 ILE 30 8.901 -31.330 -27.896 183 HG21 ILE 30 HG21 ILE 30 9.206 -28.470 -26.127 184 HG22 ILE 30 HG22 ILE 30 10.384 -27.547 -27.058 185 HG23 ILE 30 HG23 ILE 30 8.694 -27.575 -27.557 186 HD11 ILE 30 HD11 ILE 30 10.580 -31.409 -25.604 187 HD12 ILE 30 HD12 ILE 30 10.646 -32.395 -27.065 188 HD13 ILE 30 HD13 ILE 30 11.529 -30.869 -26.989 189 H ALA 31 H ALA 31 10.012 -28.755 -31.542 190 HA ALA 31 HA ALA 31 10.382 -31.572 -32.289 191 HB1 ALA 31 HB1 ALA 31 9.064 -30.058 -33.792 192 HB2 ALA 31 HB2 ALA 31 10.561 -29.176 -34.103 193 HB3 ALA 31 HB3 ALA 31 10.426 -30.873 -34.562 194 H ARG 32 H ARG 32 12.076 -28.559 -31.760 195 HA ARG 32 HA ARG 32 14.618 -30.013 -31.998 196 HB2 ARG 32 HB2 ARG 32 14.055 -27.242 -33.070 197 HB3 ARG 32 HB3 ARG 32 15.647 -27.986 -32.994 198 HG2 ARG 32 HG2 ARG 32 15.216 -29.419 -34.720 199 HG3 ARG 32 HG3 ARG 32 13.477 -29.431 -34.421 200 HD2 ARG 32 HD2 ARG 32 13.298 -27.167 -35.303 201 HD3 ARG 32 HD3 ARG 32 15.042 -27.118 -35.561 202 HE ARG 32 HE ARG 32 13.083 -28.376 -37.232 203 HH11 ARG 32 HH11 ARG 32 16.413 -28.436 -36.218 204 HH12 ARG 32 HH12 ARG 32 16.975 -29.208 -37.664 205 HH21 ARG 32 HH21 ARG 32 13.811 -29.392 -39.140 206 HH22 ARG 32 HH22 ARG 32 15.494 -29.751 -39.326 207 HA PRO 33 HA PRO 33 14.211 -27.809 -27.928 208 HB2 PRO 33 HB2 PRO 33 15.044 -29.919 -26.438 209 HB3 PRO 33 HB3 PRO 33 13.358 -29.684 -26.912 210 HG2 PRO 33 HG2 PRO 33 15.441 -31.454 -28.133 211 HG3 PRO 33 HG3 PRO 33 13.736 -31.803 -27.792 212 HD2 PRO 33 HD2 PRO 33 14.624 -31.151 -30.266 213 HD3 PRO 33 HD3 PRO 33 13.005 -30.712 -29.686 214 H TRP 34 H TRP 34 16.687 -29.474 -29.654 215 HA TRP 34 HA TRP 34 18.857 -28.968 -27.898 216 HB2 TRP 34 HB2 TRP 34 18.627 -29.689 -30.803 217 HB3 TRP 34 HB3 TRP 34 20.190 -29.248 -30.122 218 HD1 TRP 34 HD1 TRP 34 17.344 -31.746 -29.223 219 HE1 TRP 34 HE1 TRP 34 18.444 -33.925 -28.407 220 HE3 TRP 34 HE3 TRP 34 22.251 -30.343 -29.532 221 HZ2 TRP 34 HZ2 TRP 34 21.048 -34.918 -27.954 222 HZ3 TRP 34 HZ3 TRP 34 23.984 -31.967 -28.889 223 HH2 TRP 34 HH2 TRP 34 23.393 -34.205 -28.116 224 H GLU 35 H GLU 35 17.254 -27.086 -30.359 225 HA GLU 35 HA GLU 35 19.302 -25.001 -30.185 226 HB2 GLU 35 HB2 GLU 35 17.027 -25.512 -32.084 227 HB3 GLU 35 HB3 GLU 35 17.823 -23.945 -32.016 228 HG2 GLU 35 HG2 GLU 35 19.996 -25.366 -32.306 229 HG3 GLU 35 HG3 GLU 35 18.878 -26.568 -32.949 230 H MET 36 H MET 36 15.956 -25.669 -29.409 231 HA MET 36 HA MET 36 15.899 -23.446 -27.579 232 HB2 MET 36 HB2 MET 36 13.730 -22.571 -28.606 233 HB3 MET 36 HB3 MET 36 15.227 -22.162 -29.434 234 HG2 MET 36 HG2 MET 36 14.757 -23.470 -31.235 235 HG3 MET 36 HG3 MET 36 13.790 -24.608 -30.297 236 HE1 MET 36 HE1 MET 36 12.409 -21.437 -33.009 237 HE2 MET 36 HE2 MET 36 14.010 -22.135 -32.758 238 HE3 MET 36 HE3 MET 36 12.691 -23.142 -33.357 239 H MET 37 H MET 37 15.200 -24.483 -25.827 240 HA MET 37 HA MET 37 13.062 -26.476 -26.112 241 HB2 MET 37 HB2 MET 37 14.994 -27.361 -25.005 242 HB3 MET 37 HB3 MET 37 15.076 -25.981 -23.919 243 HG2 MET 37 HG2 MET 37 13.402 -26.747 -22.584 244 HG3 MET 37 HG3 MET 37 12.603 -27.611 -23.894 245 HE1 MET 37 HE1 MET 37 16.591 -29.211 -22.242 246 HE2 MET 37 HE2 MET 37 16.424 -28.010 -23.524 247 HE3 MET 37 HE3 MET 37 16.003 -27.591 -21.862 248 H VAL 38 H VAL 38 11.138 -25.477 -25.982 249 HA VAL 38 HA VAL 38 10.682 -23.196 -24.302 250 HB VAL 38 HB VAL 38 8.608 -24.904 -25.677 251 HG11 VAL 38 HG11 VAL 38 8.296 -22.852 -23.877 252 HG12 VAL 38 HG12 VAL 38 8.149 -22.037 -25.435 253 HG13 VAL 38 HG13 VAL 38 7.090 -23.393 -25.043 254 HG21 VAL 38 HG21 VAL 38 10.508 -22.896 -26.735 255 HG22 VAL 38 HG22 VAL 38 9.777 -24.292 -27.526 256 HG23 VAL 38 HG23 VAL 38 8.846 -22.810 -27.316 257 H GLY 39 H GLY 39 11.340 -24.154 -22.258 258 HA2 GLY 39 HA2 GLY 39 9.090 -25.585 -21.006 259 HA3 GLY 39 HA3 GLY 39 10.732 -26.167 -20.776 260 H ASN 40 H ASN 40 9.470 -22.848 -20.808 261 HA ASN 40 HA ASN 40 10.331 -22.589 -18.003 262 HB2 ASN 40 HB2 ASN 40 10.769 -20.678 -20.298 263 HB3 ASN 40 HB3 ASN 40 10.911 -20.185 -18.613 264 HD21 ASN 40 HD21 ASN 40 13.017 -19.974 -20.362 265 HD22 ASN 40 HD22 ASN 40 14.251 -21.097 -19.913 266 H CYS 41 H CYS 41 9.337 -20.635 -16.930 267 HA CYS 41 HA CYS 41 6.603 -20.170 -17.921 268 HB2 CYS 41 HB2 CYS 41 7.348 -20.473 -15.009 269 HB3 CYS 41 HB3 CYS 41 5.729 -20.338 -15.689 270 H MET 42 H MET 42 6.001 -18.101 -18.037 271 HA MET 42 HA MET 42 7.651 -16.103 -16.633 272 HB2 MET 42 HB2 MET 42 6.475 -16.065 -19.402 273 HB3 MET 42 HB3 MET 42 6.915 -14.576 -18.575 274 HG2 MET 42 HG2 MET 42 8.790 -15.029 -19.830 275 HG3 MET 42 HG3 MET 42 9.212 -15.698 -18.256 276 HE1 MET 42 HE1 MET 42 7.029 -18.122 -21.213 277 HE2 MET 42 HE2 MET 42 7.244 -16.374 -21.282 278 HE3 MET 42 HE3 MET 42 8.322 -17.432 -22.194 279 H CYS 43 H CYS 43 6.507 -14.007 -16.266 280 HA CYS 43 HA CYS 43 4.057 -14.479 -14.904 281 HB2 CYS 43 HB2 CYS 43 5.558 -11.940 -15.557 282 HB3 CYS 43 HB3 CYS 43 4.085 -11.969 -14.592 283 H GLY 44 H GLY 44 1.978 -13.767 -15.371 284 HA2 GLY 44 HA2 GLY 44 1.464 -12.425 -17.900 285 HA3 GLY 44 HA3 GLY 44 0.873 -14.076 -17.781 286 HA PRO 45 HA PRO 45 -2.129 -10.883 -15.926 287 HB2 PRO 45 HB2 PRO 45 -3.974 -10.881 -17.917 288 HB3 PRO 45 HB3 PRO 45 -2.614 -9.752 -17.866 289 HG2 PRO 45 HG2 PRO 45 -2.912 -12.290 -19.425 290 HG3 PRO 45 HG3 PRO 45 -2.253 -10.729 -19.947 291 HD2 PRO 45 HD2 PRO 45 -0.675 -12.813 -19.238 292 HD3 PRO 45 HD3 PRO 45 -0.206 -11.123 -18.962 293 H LYS 46 H LYS 46 -3.761 -11.611 -14.677 294 HA LYS 46 HA LYS 46 -4.422 -14.404 -14.750 295 HB2 LYS 46 HB2 LYS 46 -5.599 -14.020 -12.713 296 HB3 LYS 46 HB3 LYS 46 -4.132 -13.050 -12.648 297 HG2 LYS 46 HG2 LYS 46 -5.663 -11.162 -13.574 298 HG3 LYS 46 HG3 LYS 46 -6.967 -12.177 -12.953 299 HD2 LYS 46 HD2 LYS 46 -4.635 -11.562 -11.195 300 HD3 LYS 46 HD3 LYS 46 -5.874 -10.329 -11.445 301 HE2 LYS 46 HE2 LYS 46 -6.494 -11.533 -9.499 302 HE3 LYS 46 HE3 LYS 46 -7.575 -12.064 -10.787 303 HZ1 LYS 46 HZ1 LYS 46 -5.214 -13.666 -10.628 304 HZ2 LYS 46 HZ2 LYS 46 -6.837 -14.139 -10.614 305 HZ3 LYS 46 HZ3 LYS 46 -6.079 -13.677 -9.174 306 H ALA 47 H ALA 47 -6.690 -15.168 -14.666 307 HA ALA 47 HA ALA 47 -8.341 -13.670 -16.590 308 HB1 ALA 47 HB1 ALA 47 -8.993 -15.617 -17.568 309 HB2 ALA 47 HB2 ALA 47 -7.410 -16.124 -16.976 310 HB3 ALA 47 HB3 ALA 47 -8.864 -16.543 -16.071 Start of MODEL 19 1 H1 SER 1 H SER 1 -0.163 2.881 -4.995 2 HA SER 1 HA SER 1 1.048 1.444 -7.028 3 HB2 SER 1 HB2 SER 1 2.416 2.959 -4.792 4 HB3 SER 1 HB3 SER 1 3.150 2.512 -6.332 5 HG SER 1 HG SER 1 2.367 4.319 -7.039 6 H LYS 2 H LYS 2 1.410 -0.676 -7.016 7 HA LYS 2 HA LYS 2 2.347 -1.963 -4.554 8 HB2 LYS 2 HB2 LYS 2 0.352 -2.803 -5.989 9 HB3 LYS 2 HB3 LYS 2 1.594 -3.422 -7.069 10 HG2 LYS 2 HG2 LYS 2 2.393 -4.930 -5.480 11 HG3 LYS 2 HG3 LYS 2 1.601 -4.086 -4.148 12 HD2 LYS 2 HD2 LYS 2 -0.596 -4.726 -5.153 13 HD3 LYS 2 HD3 LYS 2 0.286 -5.709 -6.323 14 HE2 LYS 2 HE2 LYS 2 1.167 -7.102 -4.584 15 HE3 LYS 2 HE3 LYS 2 0.515 -6.038 -3.337 16 HZ1 LYS 2 HZ1 LYS 2 -0.802 -8.089 -3.741 17 HZ2 LYS 2 HZ2 LYS 2 -1.171 -7.506 -5.286 18 HZ3 LYS 2 HZ3 LYS 2 -1.688 -6.658 -3.916 19 H GLU 3 H GLU 3 4.058 -3.594 -4.725 20 HA GLU 3 HA GLU 3 6.105 -2.755 -6.664 21 HB2 GLU 3 HB2 GLU 3 6.497 -4.190 -4.032 22 HB3 GLU 3 HB3 GLU 3 7.761 -3.564 -5.082 23 HG2 GLU 3 HG2 GLU 3 7.048 -1.299 -4.663 24 HG3 GLU 3 HG3 GLU 3 5.686 -1.876 -3.706 25 H CYS 4 H CYS 4 5.549 -4.098 -8.368 26 HA CYS 4 HA CYS 4 6.401 -6.856 -8.069 27 HB2 CYS 4 HB2 CYS 4 4.352 -7.717 -9.220 28 HB3 CYS 4 HB3 CYS 4 4.057 -7.110 -7.594 29 H MET 5 H MET 5 5.860 -7.922 -10.437 30 HA MET 5 HA MET 5 6.981 -6.014 -12.383 31 HB2 MET 5 HB2 MET 5 7.413 -9.004 -12.333 32 HB3 MET 5 HB3 MET 5 8.186 -7.844 -13.406 33 HG2 MET 5 HG2 MET 5 9.290 -6.816 -11.469 34 HG3 MET 5 HG3 MET 5 8.551 -8.028 -10.425 35 HE1 MET 5 HE1 MET 5 8.864 -10.531 -10.696 36 HE2 MET 5 HE2 MET 5 8.891 -10.734 -12.448 37 HE3 MET 5 HE3 MET 5 10.241 -11.315 -11.471 38 H THR 6 H THR 6 6.514 -6.579 -14.677 39 HA THR 6 HA THR 6 3.702 -7.360 -14.919 40 HB THR 6 HB THR 6 3.809 -6.334 -17.168 41 HG1 THR 6 HG1 THR 6 5.665 -5.577 -17.961 42 HG21 THR 6 HG21 THR 6 4.942 -4.127 -15.649 43 HG22 THR 6 HG22 THR 6 3.767 -5.053 -14.714 44 HG23 THR 6 HG23 THR 6 3.304 -4.351 -16.263 45 H ASP 7 H ASP 7 3.268 -8.318 -17.258 46 HA ASP 7 HA ASP 7 4.405 -10.914 -17.255 47 HB2 ASP 7 HB2 ASP 7 3.067 -11.298 -19.262 48 HB3 ASP 7 HB3 ASP 7 2.115 -10.454 -18.046 49 H GLY 8 H GLY 8 5.714 -11.927 -18.835 50 HA2 GLY 8 HA2 GLY 8 7.058 -11.834 -20.831 51 HA3 GLY 8 HA3 GLY 8 7.216 -10.100 -20.591 52 H THR 9 H THR 9 7.642 -10.763 -17.621 53 HA THR 9 HA THR 9 10.532 -11.088 -17.868 54 HB THR 9 HB THR 9 8.857 -10.289 -15.481 55 HG1 THR 9 HG1 THR 9 9.894 -8.219 -15.954 56 HG21 THR 9 HG21 THR 9 10.973 -9.671 -14.434 57 HG22 THR 9 HG22 THR 9 11.857 -10.260 -15.842 58 HG23 THR 9 HG23 THR 9 10.957 -11.388 -14.830 59 H VAL 10 H VAL 10 11.559 -12.908 -17.359 60 HA VAL 10 HA VAL 10 10.320 -15.312 -16.810 61 HB VAL 10 HB VAL 10 13.137 -14.516 -16.062 62 HG11 VAL 10 HG11 VAL 10 13.354 -17.113 -16.537 63 HG12 VAL 10 HG12 VAL 10 12.937 -16.492 -14.938 64 HG13 VAL 10 HG13 VAL 10 11.672 -17.098 -16.007 65 HG21 VAL 10 HG21 VAL 10 12.552 -14.198 -18.451 66 HG22 VAL 10 HG22 VAL 10 13.794 -15.423 -18.193 67 HG23 VAL 10 HG23 VAL 10 12.135 -15.911 -18.541 68 H CYS 11 H CYS 11 9.834 -16.480 -14.997 69 HA CYS 11 HA CYS 11 10.473 -15.385 -12.372 70 HB2 CYS 11 HB2 CYS 11 8.209 -15.322 -11.602 71 HB3 CYS 11 HB3 CYS 11 8.272 -14.402 -13.101 72 H TYR 12 H TYR 12 9.713 -16.909 -10.611 73 HA TYR 12 HA TYR 12 9.415 -19.677 -11.458 74 HB2 TYR 12 HB2 TYR 12 11.883 -18.546 -10.268 75 HB3 TYR 12 HB3 TYR 12 11.336 -20.086 -9.614 76 HD1 TYR 12 HD1 TYR 12 11.276 -22.085 -11.025 77 HD2 TYR 12 HD2 TYR 12 12.726 -18.376 -12.523 78 HE1 TYR 12 HE1 TYR 12 12.305 -23.261 -12.925 79 HE2 TYR 12 HE2 TYR 12 13.759 -19.542 -14.427 80 HH TYR 12 HH TYR 12 14.297 -22.778 -14.529 81 H ILE 13 H ILE 13 8.246 -20.867 -10.052 82 HA ILE 13 HA ILE 13 6.885 -19.558 -7.933 83 HB ILE 13 HB ILE 13 7.032 -22.514 -8.539 84 HG12 ILE 13 HG12 ILE 13 4.584 -21.721 -9.377 85 HG13 ILE 13 HG13 ILE 13 5.509 -20.261 -9.712 86 HG21 ILE 13 HG21 ILE 13 6.240 -22.233 -6.320 87 HG22 ILE 13 HG22 ILE 13 5.191 -20.897 -6.792 88 HG23 ILE 13 HG23 ILE 13 4.827 -22.538 -7.330 89 HD11 ILE 13 HD11 ILE 13 5.380 -22.697 -11.190 90 HD12 ILE 13 HD12 ILE 13 6.183 -21.182 -11.602 91 HD13 ILE 13 HD13 ILE 13 7.040 -22.409 -10.671 92 H HIS 14 H HIS 14 9.825 -21.341 -8.110 93 HA HIS 14 HA HIS 14 9.946 -21.485 -5.170 94 HB2 HIS 14 HB2 HIS 14 10.188 -23.609 -6.671 95 HB3 HIS 14 HB3 HIS 14 11.813 -22.998 -6.970 96 HD1 HIS 14 HD1 HIS 14 13.396 -24.226 -5.537 97 HD2 HIS 14 HD2 HIS 14 9.828 -23.442 -3.559 98 HE1 HIS 14 HE1 HIS 14 13.702 -25.136 -3.213 99 H ASN 15 H ASN 15 10.467 -19.094 -6.679 100 HA ASN 15 HA ASN 15 13.318 -18.739 -6.033 101 HB2 ASN 15 HB2 ASN 15 12.860 -18.758 -8.506 102 HB3 ASN 15 HB3 ASN 15 11.862 -17.325 -8.275 103 HD21 ASN 15 HD21 ASN 15 14.995 -18.319 -6.945 104 HD22 ASN 15 HD22 ASN 15 15.853 -16.912 -7.462 105 H HIS 16 H HIS 16 10.582 -18.174 -4.721 106 HA HIS 16 HA HIS 16 9.604 -16.555 -3.447 107 HB2 HIS 16 HB2 HIS 16 12.527 -15.856 -3.278 108 HB3 HIS 16 HB3 HIS 16 11.312 -14.925 -2.406 109 HD1 HIS 16 HD1 HIS 16 10.372 -15.932 -0.283 110 HD2 HIS 16 HD2 HIS 16 12.811 -18.556 -2.385 111 HE1 HIS 16 HE1 HIS 16 10.737 -17.888 1.254 112 H ASN 17 H ASN 17 9.372 -16.076 -6.175 113 HA ASN 17 HA ASN 17 9.811 -13.186 -6.456 114 HB2 ASN 17 HB2 ASN 17 9.580 -15.449 -8.366 115 HB3 ASN 17 HB3 ASN 17 8.921 -13.903 -8.890 116 HD21 ASN 17 HD21 ASN 17 11.738 -14.673 -6.893 117 HD22 ASN 17 HD22 ASN 17 12.892 -13.890 -7.912 118 H ASP 18 H ASP 18 8.165 -11.800 -6.362 119 HA ASP 18 HA ASP 18 5.436 -12.901 -6.312 120 HB2 ASP 18 HB2 ASP 18 6.404 -11.674 -4.269 121 HB3 ASP 18 HB3 ASP 18 6.232 -10.207 -5.228 122 H CYS 19 H CYS 19 4.518 -12.687 -8.250 123 HA CYS 19 HA CYS 19 4.894 -10.151 -9.701 124 HB2 CYS 19 HB2 CYS 19 4.765 -12.967 -10.582 125 HB3 CYS 19 HB3 CYS 19 3.871 -11.826 -11.580 126 H CYS 20 H CYS 20 3.163 -8.931 -10.176 127 HA CYS 20 HA CYS 20 0.752 -9.207 -8.844 128 HB2 CYS 20 HB2 CYS 20 1.702 -7.577 -11.143 129 HB3 CYS 20 HB3 CYS 20 -0.039 -7.678 -10.897 130 H GLY 21 H GLY 21 1.794 -10.617 -11.841 131 HA2 GLY 21 HA2 GLY 21 -0.937 -11.579 -12.378 132 HA3 GLY 21 HA3 GLY 21 0.375 -11.545 -13.545 133 H SER 22 H SER 22 -0.900 -13.827 -13.496 134 HA SER 22 HA SER 22 0.437 -15.635 -11.625 135 HB2 SER 22 HB2 SER 22 -2.073 -15.680 -13.139 136 HB3 SER 22 HB3 SER 22 -1.195 -17.208 -13.196 137 HG SER 22 HG SER 22 -1.744 -17.544 -11.203 138 H CYS 23 H CYS 23 1.930 -17.117 -12.219 139 HA CYS 23 HA CYS 23 3.303 -16.761 -14.681 140 HB2 CYS 23 HB2 CYS 23 3.560 -18.674 -12.381 141 HB3 CYS 23 HB3 CYS 23 4.490 -18.932 -13.854 142 H LEU 24 H LEU 24 3.046 -17.741 -16.583 143 HA LEU 24 HA LEU 24 1.270 -20.090 -16.700 144 HB2 LEU 24 HB2 LEU 24 1.634 -17.812 -18.629 145 HB3 LEU 24 HB3 LEU 24 0.832 -19.317 -19.073 146 HG LEU 24 HG LEU 24 -0.086 -17.409 -16.921 147 HD11 LEU 24 HD11 LEU 24 -0.775 -17.739 -19.798 148 HD12 LEU 24 HD12 LEU 24 -0.626 -16.272 -18.832 149 HD13 LEU 24 HD13 LEU 24 -2.049 -17.300 -18.659 150 HD21 LEU 24 HD21 LEU 24 -0.636 -20.142 -17.299 151 HD22 LEU 24 HD22 LEU 24 -2.062 -19.261 -17.850 152 HD23 LEU 24 HD23 LEU 24 -1.447 -19.011 -16.215 153 H CYS 25 H CYS 25 2.366 -21.882 -17.116 154 HA CYS 25 HA CYS 25 4.939 -21.776 -18.448 155 HB2 CYS 25 HB2 CYS 25 3.438 -24.209 -17.464 156 HB3 CYS 25 HB3 CYS 25 5.153 -24.103 -17.852 157 H SER 26 H SER 26 5.306 -22.217 -20.524 158 HA SER 26 HA SER 26 3.069 -22.820 -22.251 159 HB2 SER 26 HB2 SER 26 5.152 -21.218 -22.645 160 HB3 SER 26 HB3 SER 26 5.866 -22.696 -23.288 161 HG SER 26 HG SER 26 3.568 -21.313 -24.173 162 H ASN 27 H ASN 27 2.451 -24.818 -22.696 163 HA ASN 27 HA ASN 27 4.462 -26.968 -22.616 164 HB2 ASN 27 HB2 ASN 27 1.571 -26.882 -21.842 165 HB3 ASN 27 HB3 ASN 27 2.268 -28.404 -22.390 166 HD21 ASN 27 HD21 ASN 27 4.138 -29.209 -21.237 167 HD22 ASN 27 HD22 ASN 27 4.309 -28.856 -19.554 168 H GLY 28 H GLY 28 3.780 -25.198 -24.887 169 HA2 GLY 28 HA2 GLY 28 2.133 -26.348 -26.786 170 HA3 GLY 28 HA3 GLY 28 3.583 -25.428 -27.164 171 HA PRO 29 HA PRO 29 3.978 -29.965 -28.433 172 HB2 PRO 29 HB2 PRO 29 4.043 -29.558 -31.117 173 HB3 PRO 29 HB3 PRO 29 2.543 -29.842 -30.223 174 HG2 PRO 29 HG2 PRO 29 3.730 -27.258 -31.163 175 HG3 PRO 29 HG3 PRO 29 2.043 -27.802 -31.220 176 HD2 PRO 29 HD2 PRO 29 2.961 -26.097 -29.327 177 HD3 PRO 29 HD3 PRO 29 1.664 -27.267 -29.011 178 H ILE 30 H ILE 30 5.980 -30.783 -28.590 179 HA ILE 30 HA ILE 30 8.121 -29.016 -29.584 180 HB ILE 30 HB ILE 30 8.337 -31.137 -27.444 181 HG12 ILE 30 HG12 ILE 30 8.485 -28.120 -27.247 182 HG13 ILE 30 HG13 ILE 30 7.144 -29.116 -26.691 183 HG21 ILE 30 HG21 ILE 30 10.397 -29.212 -28.516 184 HG22 ILE 30 HG22 ILE 30 10.624 -30.304 -27.151 185 HG23 ILE 30 HG23 ILE 30 10.370 -30.957 -28.769 186 HD11 ILE 30 HD11 ILE 30 9.592 -28.429 -25.359 187 HD12 ILE 30 HD12 ILE 30 8.139 -29.197 -24.719 188 HD13 ILE 30 HD13 ILE 30 9.404 -30.179 -25.457 189 H ALA 31 H ALA 31 8.568 -29.708 -31.587 190 HA ALA 31 HA ALA 31 8.862 -32.606 -32.027 191 HB1 ALA 31 HB1 ALA 31 8.753 -31.793 -34.513 192 HB2 ALA 31 HB2 ALA 31 7.276 -31.973 -33.564 193 HB3 ALA 31 HB3 ALA 31 7.983 -30.375 -33.800 194 H ARG 32 H ARG 32 10.431 -29.499 -32.251 195 HA ARG 32 HA ARG 32 12.929 -30.873 -32.981 196 HB2 ARG 32 HB2 ARG 32 12.006 -28.159 -33.945 197 HB3 ARG 32 HB3 ARG 32 13.598 -28.846 -34.240 198 HG2 ARG 32 HG2 ARG 32 12.827 -30.328 -35.793 199 HG3 ARG 32 HG3 ARG 32 11.221 -30.420 -35.068 200 HD2 ARG 32 HD2 ARG 32 10.478 -28.538 -36.142 201 HD3 ARG 32 HD3 ARG 32 12.092 -27.834 -36.249 202 HE ARG 32 HE ARG 32 12.115 -30.072 -37.866 203 HH11 ARG 32 HH11 ARG 32 10.375 -27.062 -37.698 204 HH12 ARG 32 HH12 ARG 32 10.115 -26.966 -39.408 205 HH21 ARG 32 HH21 ARG 32 11.779 -29.958 -40.119 206 HH22 ARG 32 HH22 ARG 32 10.913 -28.614 -40.785 207 HA PRO 33 HA PRO 33 13.389 -28.558 -28.980 208 HB2 PRO 33 HB2 PRO 33 14.653 -30.582 -27.684 209 HB3 PRO 33 HB3 PRO 33 12.893 -30.434 -27.750 210 HG2 PRO 33 HG2 PRO 33 14.712 -32.153 -29.393 211 HG3 PRO 33 HG3 PRO 33 13.155 -32.562 -28.650 212 HD2 PRO 33 HD2 PRO 33 13.401 -31.952 -31.276 213 HD3 PRO 33 HD3 PRO 33 11.944 -31.564 -30.339 214 H TRP 34 H TRP 34 15.465 -30.165 -31.211 215 HA TRP 34 HA TRP 34 17.961 -29.522 -30.033 216 HB2 TRP 34 HB2 TRP 34 17.088 -30.308 -32.797 217 HB3 TRP 34 HB3 TRP 34 18.749 -29.806 -32.496 218 HD1 TRP 34 HD1 TRP 34 16.273 -32.381 -30.951 219 HE1 TRP 34 HE1 TRP 34 17.608 -34.509 -30.389 220 HE3 TRP 34 HE3 TRP 34 20.928 -30.822 -32.381 221 HZ2 TRP 34 HZ2 TRP 34 20.280 -35.407 -30.532 222 HZ3 TRP 34 HZ3 TRP 34 22.820 -32.376 -32.135 223 HH2 TRP 34 HH2 TRP 34 22.500 -34.621 -31.229 224 H GLU 35 H GLU 35 15.706 -27.748 -31.994 225 HA GLU 35 HA GLU 35 17.617 -25.509 -32.140 226 HB2 GLU 35 HB2 GLU 35 15.234 -26.080 -33.912 227 HB3 GLU 35 HB3 GLU 35 16.294 -24.685 -34.049 228 HG2 GLU 35 HG2 GLU 35 17.413 -27.450 -34.209 229 HG3 GLU 35 HG3 GLU 35 16.643 -26.710 -35.612 230 H MET 36 H MET 36 14.283 -26.433 -31.452 231 HA MET 36 HA MET 36 13.882 -23.810 -30.173 232 HB2 MET 36 HB2 MET 36 11.978 -25.668 -31.566 233 HB3 MET 36 HB3 MET 36 11.390 -24.498 -30.391 234 HG2 MET 36 HG2 MET 36 13.081 -23.703 -32.737 235 HG3 MET 36 HG3 MET 36 11.325 -23.823 -32.830 236 HE1 MET 36 HE1 MET 36 9.858 -22.367 -32.422 237 HE2 MET 36 HE2 MET 36 9.761 -21.862 -30.736 238 HE3 MET 36 HE3 MET 36 10.091 -20.671 -31.996 239 H MET 37 H MET 37 15.028 -24.763 -28.317 240 HA MET 37 HA MET 37 13.591 -26.820 -26.844 241 HB2 MET 37 HB2 MET 37 16.097 -26.784 -27.002 242 HB3 MET 37 HB3 MET 37 16.083 -25.321 -26.026 243 HG2 MET 37 HG2 MET 37 14.892 -26.622 -24.252 244 HG3 MET 37 HG3 MET 37 15.181 -28.069 -25.215 245 HE1 MET 37 HE1 MET 37 17.202 -28.783 -26.050 246 HE2 MET 37 HE2 MET 37 18.794 -28.077 -25.778 247 HE3 MET 37 HE3 MET 37 18.199 -29.347 -24.708 248 H VAL 38 H VAL 38 11.700 -25.852 -26.168 249 HA VAL 38 HA VAL 38 11.965 -23.491 -24.429 250 HB VAL 38 HB VAL 38 9.467 -23.297 -24.721 251 HG11 VAL 38 HG11 VAL 38 9.669 -22.021 -26.651 252 HG12 VAL 38 HG12 VAL 38 11.325 -22.082 -26.044 253 HG13 VAL 38 HG13 VAL 38 10.834 -23.126 -27.379 254 HG21 VAL 38 HG21 VAL 38 9.670 -24.941 -27.181 255 HG22 VAL 38 HG22 VAL 38 9.505 -25.790 -25.645 256 HG23 VAL 38 HG23 VAL 38 8.280 -24.623 -26.143 257 H GLY 39 H GLY 39 11.003 -23.465 -22.389 258 HA2 GLY 39 HA2 GLY 39 9.336 -25.361 -21.263 259 HA3 GLY 39 HA3 GLY 39 10.968 -25.967 -21.028 260 H ASN 40 H ASN 40 9.607 -22.682 -20.890 261 HA ASN 40 HA ASN 40 10.431 -22.545 -18.071 262 HB2 ASN 40 HB2 ASN 40 11.016 -20.081 -18.620 263 HB3 ASN 40 HB3 ASN 40 12.163 -21.337 -19.078 264 HD21 ASN 40 HD21 ASN 40 13.096 -20.606 -20.861 265 HD22 ASN 40 HD22 ASN 40 12.268 -20.067 -22.279 266 H CYS 41 H CYS 41 9.394 -20.735 -16.890 267 HA CYS 41 HA CYS 41 6.722 -20.136 -17.980 268 HB2 CYS 41 HB2 CYS 41 7.357 -20.526 -15.054 269 HB3 CYS 41 HB3 CYS 41 5.768 -20.385 -15.797 270 H MET 42 H MET 42 6.072 -18.063 -17.944 271 HA MET 42 HA MET 42 7.730 -16.134 -16.456 272 HB2 MET 42 HB2 MET 42 6.690 -16.026 -19.269 273 HB3 MET 42 HB3 MET 42 7.003 -14.539 -18.382 274 HG2 MET 42 HG2 MET 42 9.254 -14.817 -18.427 275 HG3 MET 42 HG3 MET 42 9.149 -16.575 -18.425 276 HE1 MET 42 HE1 MET 42 8.757 -17.615 -22.002 277 HE2 MET 42 HE2 MET 42 9.938 -17.873 -20.719 278 HE3 MET 42 HE3 MET 42 8.214 -17.915 -20.350 279 H CYS 43 H CYS 43 6.556 -13.981 -16.192 280 HA CYS 43 HA CYS 43 4.094 -14.480 -14.842 281 HB2 CYS 43 HB2 CYS 43 5.581 -11.927 -15.473 282 HB3 CYS 43 HB3 CYS 43 4.100 -11.975 -14.522 283 H GLY 44 H GLY 44 2.024 -13.691 -15.319 284 HA2 GLY 44 HA2 GLY 44 1.532 -12.360 -17.843 285 HA3 GLY 44 HA3 GLY 44 0.979 -14.028 -17.782 286 HA PRO 45 HA PRO 45 -2.142 -10.957 -15.916 287 HB2 PRO 45 HB2 PRO 45 -3.939 -10.944 -17.951 288 HB3 PRO 45 HB3 PRO 45 -2.609 -9.786 -17.836 289 HG2 PRO 45 HG2 PRO 45 -2.808 -12.287 -19.470 290 HG3 PRO 45 HG3 PRO 45 -2.176 -10.697 -19.932 291 HD2 PRO 45 HD2 PRO 45 -0.565 -12.761 -19.241 292 HD3 PRO 45 HD3 PRO 45 -0.144 -11.068 -18.910 293 H LYS 46 H LYS 46 -3.748 -11.780 -14.701 294 HA LYS 46 HA LYS 46 -4.297 -14.560 -14.739 295 HB2 LYS 46 HB2 LYS 46 -5.793 -14.125 -12.905 296 HB3 LYS 46 HB3 LYS 46 -4.359 -13.127 -12.700 297 HG2 LYS 46 HG2 LYS 46 -5.666 -11.250 -13.769 298 HG3 LYS 46 HG3 LYS 46 -7.095 -12.275 -13.601 299 HD2 LYS 46 HD2 LYS 46 -5.292 -11.506 -11.309 300 HD3 LYS 46 HD3 LYS 46 -6.762 -10.632 -11.741 301 HE2 LYS 46 HE2 LYS 46 -6.778 -13.584 -11.194 302 HE3 LYS 46 HE3 LYS 46 -6.917 -12.401 -9.895 303 HZ1 LYS 46 HZ1 LYS 46 -8.910 -13.320 -11.665 304 HZ2 LYS 46 HZ2 LYS 46 -8.721 -11.651 -11.864 305 HZ3 LYS 46 HZ3 LYS 46 -9.069 -12.286 -10.335 306 H ALA 47 H ALA 47 -6.002 -15.704 -15.516 307 HA ALA 47 HA ALA 47 -7.908 -14.226 -17.205 308 HB1 ALA 47 HB1 ALA 47 -6.843 -15.621 -18.681 309 HB2 ALA 47 HB2 ALA 47 -6.606 -16.892 -17.481 310 HB3 ALA 47 HB3 ALA 47 -8.199 -16.638 -18.193 Start of MODEL 20 1 H1 SER 1 H SER 1 2.650 1.672 -2.623 2 HA SER 1 HA SER 1 2.492 0.084 -0.373 3 HB2 SER 1 HB2 SER 1 0.985 -0.096 -2.986 4 HB3 SER 1 HB3 SER 1 0.567 -1.053 -1.565 5 HG SER 1 HG SER 1 0.660 1.248 -0.564 6 H LYS 2 H LYS 2 2.592 -1.277 -3.666 7 HA LYS 2 HA LYS 2 4.343 -3.412 -2.645 8 HB2 LYS 2 HB2 LYS 2 2.009 -4.220 -2.868 9 HB3 LYS 2 HB3 LYS 2 2.042 -3.785 -4.571 10 HG2 LYS 2 HG2 LYS 2 3.397 -5.534 -5.137 11 HG3 LYS 2 HG3 LYS 2 4.143 -5.617 -3.539 12 HD2 LYS 2 HD2 LYS 2 1.260 -6.334 -4.009 13 HD3 LYS 2 HD3 LYS 2 2.565 -7.512 -4.180 14 HE2 LYS 2 HE2 LYS 2 3.004 -7.553 -1.938 15 HE3 LYS 2 HE3 LYS 2 2.466 -5.892 -1.691 16 HZ1 LYS 2 HZ1 LYS 2 1.060 -8.087 -1.014 17 HZ2 LYS 2 HZ2 LYS 2 0.374 -7.698 -2.511 18 HZ3 LYS 2 HZ3 LYS 2 0.390 -6.554 -1.264 19 H GLU 3 H GLU 3 5.755 -4.363 -4.182 20 HA GLU 3 HA GLU 3 6.069 -2.832 -6.677 21 HB2 GLU 3 HB2 GLU 3 8.574 -3.227 -6.351 22 HB3 GLU 3 HB3 GLU 3 7.814 -2.008 -5.337 23 HG2 GLU 3 HG2 GLU 3 8.002 -3.270 -3.433 24 HG3 GLU 3 HG3 GLU 3 8.046 -4.794 -4.318 25 H CYS 4 H CYS 4 5.147 -4.393 -7.971 26 HA CYS 4 HA CYS 4 6.493 -7.014 -8.017 27 HB2 CYS 4 HB2 CYS 4 4.439 -7.836 -9.166 28 HB3 CYS 4 HB3 CYS 4 4.140 -7.254 -7.531 29 H MET 5 H MET 5 5.920 -7.978 -10.425 30 HA MET 5 HA MET 5 7.016 -5.991 -12.306 31 HB2 MET 5 HB2 MET 5 7.494 -8.971 -12.394 32 HB3 MET 5 HB3 MET 5 8.267 -7.740 -13.384 33 HG2 MET 5 HG2 MET 5 9.361 -6.829 -11.405 34 HG3 MET 5 HG3 MET 5 8.580 -8.055 -10.408 35 HE1 MET 5 HE1 MET 5 8.999 -10.809 -12.424 36 HE2 MET 5 HE2 MET 5 10.258 -11.315 -11.297 37 HE3 MET 5 HE3 MET 5 8.818 -10.490 -10.699 38 H THR 6 H THR 6 6.543 -6.485 -14.615 39 HA THR 6 HA THR 6 3.734 -7.241 -14.872 40 HB THR 6 HB THR 6 4.140 -6.361 -17.283 41 HG1 THR 6 HG1 THR 6 5.891 -4.704 -17.138 42 HG21 THR 6 HG21 THR 6 3.538 -5.063 -14.795 43 HG22 THR 6 HG22 THR 6 2.910 -4.722 -16.407 44 HG23 THR 6 HG23 THR 6 4.395 -3.946 -15.857 45 H ASP 7 H ASP 7 3.283 -8.214 -17.201 46 HA ASP 7 HA ASP 7 4.369 -10.837 -17.164 47 HB2 ASP 7 HB2 ASP 7 2.901 -9.702 -19.526 48 HB3 ASP 7 HB3 ASP 7 2.856 -11.339 -18.875 49 H GLY 8 H GLY 8 5.637 -11.892 -18.750 50 HA2 GLY 8 HA2 GLY 8 6.955 -11.851 -20.764 51 HA3 GLY 8 HA3 GLY 8 7.137 -10.115 -20.558 52 H THR 9 H THR 9 7.597 -10.743 -17.581 53 HA THR 9 HA THR 9 10.481 -11.081 -17.863 54 HB THR 9 HB THR 9 8.833 -10.275 -15.458 55 HG1 THR 9 HG1 THR 9 10.452 -8.779 -17.268 56 HG21 THR 9 HG21 THR 9 10.928 -11.384 -14.817 57 HG22 THR 9 HG22 THR 9 10.966 -9.663 -14.435 58 HG23 THR 9 HG23 THR 9 11.829 -10.272 -15.846 59 H VAL 10 H VAL 10 11.510 -12.904 -17.371 60 HA VAL 10 HA VAL 10 10.276 -15.305 -16.802 61 HB VAL 10 HB VAL 10 13.106 -14.513 -16.099 62 HG11 VAL 10 HG11 VAL 10 13.536 -16.968 -16.302 63 HG12 VAL 10 HG12 VAL 10 12.546 -16.511 -14.914 64 HG13 VAL 10 HG13 VAL 10 11.790 -17.213 -16.345 65 HG21 VAL 10 HG21 VAL 10 13.752 -15.274 -18.233 66 HG22 VAL 10 HG22 VAL 10 12.178 -16.008 -18.537 67 HG23 VAL 10 HG23 VAL 10 12.341 -14.252 -18.507 68 H CYS 11 H CYS 11 9.782 -16.454 -14.985 69 HA CYS 11 HA CYS 11 10.475 -15.364 -12.370 70 HB2 CYS 11 HB2 CYS 11 8.210 -15.326 -11.567 71 HB3 CYS 11 HB3 CYS 11 8.279 -14.362 -13.039 72 H TYR 12 H TYR 12 9.721 -16.886 -10.596 73 HA TYR 12 HA TYR 12 9.426 -19.656 -11.445 74 HB2 TYR 12 HB2 TYR 12 11.885 -18.513 -10.251 75 HB3 TYR 12 HB3 TYR 12 11.341 -20.049 -9.586 76 HD1 TYR 12 HD1 TYR 12 11.298 -22.062 -10.976 77 HD2 TYR 12 HD2 TYR 12 12.728 -18.360 -12.510 78 HE1 TYR 12 HE1 TYR 12 12.334 -23.252 -12.863 79 HE2 TYR 12 HE2 TYR 12 13.767 -19.539 -14.401 80 HH TYR 12 HH TYR 12 14.640 -21.963 -14.804 81 H ILE 13 H ILE 13 8.237 -20.837 -10.053 82 HA ILE 13 HA ILE 13 6.863 -19.540 -7.943 83 HB ILE 13 HB ILE 13 7.039 -22.495 -8.544 84 HG12 ILE 13 HG12 ILE 13 4.584 -21.723 -9.384 85 HG13 ILE 13 HG13 ILE 13 5.498 -20.256 -9.718 86 HG21 ILE 13 HG21 ILE 13 4.900 -22.617 -7.305 87 HG22 ILE 13 HG22 ILE 13 6.257 -22.122 -6.295 88 HG23 ILE 13 HG23 ILE 13 5.096 -20.922 -6.859 89 HD11 ILE 13 HD11 ILE 13 7.060 -22.366 -10.682 90 HD12 ILE 13 HD12 ILE 13 5.403 -22.711 -11.182 91 HD13 ILE 13 HD13 ILE 13 6.154 -21.175 -11.615 92 H HIS 14 H HIS 14 9.815 -21.309 -8.092 93 HA HIS 14 HA HIS 14 9.919 -21.436 -5.152 94 HB2 HIS 14 HB2 HIS 14 10.187 -23.563 -6.641 95 HB3 HIS 14 HB3 HIS 14 11.809 -22.940 -6.932 96 HD1 HIS 14 HD1 HIS 14 13.286 -24.381 -5.556 97 HD2 HIS 14 HD2 HIS 14 9.913 -23.156 -3.460 98 HE1 HIS 14 HE1 HIS 14 13.611 -25.221 -3.207 99 H ASN 15 H ASN 15 10.431 -19.047 -6.666 100 HA ASN 15 HA ASN 15 13.270 -18.661 -5.988 101 HB2 ASN 15 HB2 ASN 15 12.856 -18.720 -8.468 102 HB3 ASN 15 HB3 ASN 15 11.841 -17.293 -8.275 103 HD21 ASN 15 HD21 ASN 15 14.996 -18.302 -6.999 104 HD22 ASN 15 HD22 ASN 15 15.836 -16.869 -7.474 105 H HIS 16 H HIS 16 10.561 -18.120 -4.672 106 HA HIS 16 HA HIS 16 9.554 -16.499 -3.425 107 HB2 HIS 16 HB2 HIS 16 11.994 -16.652 -2.527 108 HB3 HIS 16 HB3 HIS 16 12.197 -15.080 -3.295 109 HD1 HIS 16 HD1 HIS 16 9.034 -16.093 -1.525 110 HD2 HIS 16 HD2 HIS 16 12.333 -13.636 -0.942 111 HE1 HIS 16 HE1 HIS 16 8.489 -14.706 0.501 112 H ASN 17 H ASN 17 9.630 -16.100 -6.316 113 HA ASN 17 HA ASN 17 9.875 -13.215 -6.632 114 HB2 ASN 17 HB2 ASN 17 9.297 -15.459 -8.567 115 HB3 ASN 17 HB3 ASN 17 9.217 -13.762 -9.030 116 HD21 ASN 17 HD21 ASN 17 10.889 -14.949 -10.505 117 HD22 ASN 17 HD22 ASN 17 12.535 -14.759 -10.014 118 H ASP 18 H ASP 18 8.221 -11.857 -6.456 119 HA ASP 18 HA ASP 18 5.498 -12.973 -6.419 120 HB2 ASP 18 HB2 ASP 18 6.351 -10.319 -5.264 121 HB3 ASP 18 HB3 ASP 18 4.854 -11.198 -4.964 122 H CYS 19 H CYS 19 4.574 -12.728 -8.352 123 HA CYS 19 HA CYS 19 4.935 -10.164 -9.757 124 HB2 CYS 19 HB2 CYS 19 4.837 -12.961 -10.685 125 HB3 CYS 19 HB3 CYS 19 3.905 -11.825 -11.655 126 H CYS 20 H CYS 20 3.198 -8.938 -10.188 127 HA CYS 20 HA CYS 20 0.797 -9.238 -8.859 128 HB2 CYS 20 HB2 CYS 20 1.710 -7.599 -11.171 129 HB3 CYS 20 HB3 CYS 20 -0.024 -7.696 -10.880 130 H GLY 21 H GLY 21 1.811 -10.593 -11.899 131 HA2 GLY 21 HA2 GLY 21 -0.915 -11.565 -12.424 132 HA3 GLY 21 HA3 GLY 21 0.403 -11.541 -13.586 133 H SER 22 H SER 22 -0.885 -13.815 -13.539 134 HA SER 22 HA SER 22 0.432 -15.628 -11.660 135 HB2 SER 22 HB2 SER 22 -2.081 -15.646 -13.152 136 HB3 SER 22 HB3 SER 22 -1.210 -17.176 -13.267 137 HG SER 22 HG SER 22 -1.602 -15.884 -10.788 138 H CYS 23 H CYS 23 1.937 -17.095 -12.240 139 HA CYS 23 HA CYS 23 3.308 -16.761 -14.706 140 HB2 CYS 23 HB2 CYS 23 3.573 -18.660 -12.395 141 HB3 CYS 23 HB3 CYS 23 4.515 -18.906 -13.861 142 H LEU 24 H LEU 24 3.071 -17.776 -16.595 143 HA LEU 24 HA LEU 24 1.302 -20.132 -16.685 144 HB2 LEU 24 HB2 LEU 24 1.650 -17.877 -18.645 145 HB3 LEU 24 HB3 LEU 24 0.847 -19.390 -19.062 146 HG LEU 24 HG LEU 24 -0.059 -17.431 -16.952 147 HD11 LEU 24 HD11 LEU 24 -2.051 -17.427 -18.671 148 HD12 LEU 24 HD12 LEU 24 -0.775 -17.868 -19.805 149 HD13 LEU 24 HD13 LEU 24 -0.656 -16.369 -18.885 150 HD21 LEU 24 HD21 LEU 24 -2.055 -19.298 -17.738 151 HD22 LEU 24 HD22 LEU 24 -1.342 -19.049 -16.143 152 HD23 LEU 24 HD23 LEU 24 -0.608 -20.192 -17.270 153 H CYS 25 H CYS 25 2.381 -21.928 -17.124 154 HA CYS 25 HA CYS 25 4.971 -21.827 -18.416 155 HB2 CYS 25 HB2 CYS 25 3.455 -24.286 -17.536 156 HB3 CYS 25 HB3 CYS 25 5.187 -24.134 -17.819 157 H SER 26 H SER 26 5.371 -22.243 -20.493 158 HA SER 26 HA SER 26 3.177 -22.729 -22.288 159 HB2 SER 26 HB2 SER 26 4.595 -22.059 -23.969 160 HB3 SER 26 HB3 SER 26 5.410 -21.308 -22.598 161 HG SER 26 HG SER 26 6.429 -23.024 -24.280 162 H ASN 27 H ASN 27 2.589 -24.591 -23.223 163 HA ASN 27 HA ASN 27 4.236 -26.969 -22.670 164 HB2 ASN 27 HB2 ASN 27 1.992 -28.180 -23.122 165 HB3 ASN 27 HB3 ASN 27 2.192 -27.334 -21.589 166 HD21 ASN 27 HD21 ASN 27 0.879 -25.668 -21.097 167 HD22 ASN 27 HD22 ASN 27 -0.398 -25.103 -22.115 168 H GLY 28 H GLY 28 4.497 -25.097 -24.942 169 HA2 GLY 28 HA2 GLY 28 3.399 -25.994 -27.313 170 HA3 GLY 28 HA3 GLY 28 4.993 -25.268 -27.178 171 HA PRO 29 HA PRO 29 5.149 -29.855 -28.414 172 HB2 PRO 29 HB2 PRO 29 5.834 -29.521 -31.020 173 HB3 PRO 29 HB3 PRO 29 4.156 -29.639 -30.476 174 HG2 PRO 29 HG2 PRO 29 5.765 -27.203 -31.140 175 HG3 PRO 29 HG3 PRO 29 4.085 -27.585 -31.563 176 HD2 PRO 29 HD2 PRO 29 4.734 -25.930 -29.520 177 HD3 PRO 29 HD3 PRO 29 3.291 -26.963 -29.490 178 H ILE 30 H ILE 30 7.039 -30.767 -27.930 179 HA ILE 30 HA ILE 30 9.517 -29.352 -28.668 180 HB ILE 30 HB ILE 30 10.526 -30.492 -26.630 181 HG12 ILE 30 HG12 ILE 30 7.912 -30.515 -25.292 182 HG13 ILE 30 HG13 ILE 30 8.095 -31.768 -26.515 183 HG21 ILE 30 HG21 ILE 30 9.446 -28.040 -26.962 184 HG22 ILE 30 HG22 ILE 30 8.518 -28.617 -25.578 185 HG23 ILE 30 HG23 ILE 30 10.279 -28.561 -25.497 186 HD11 ILE 30 HD11 ILE 30 8.879 -31.987 -23.931 187 HD12 ILE 30 HD12 ILE 30 9.528 -32.939 -25.266 188 HD13 ILE 30 HD13 ILE 30 10.382 -31.499 -24.712 189 H ALA 31 H ALA 31 10.107 -30.489 -30.448 190 HA ALA 31 HA ALA 31 10.016 -33.394 -30.433 191 HB1 ALA 31 HB1 ALA 31 9.437 -32.766 -32.533 192 HB2 ALA 31 HB2 ALA 31 10.410 -31.296 -32.482 193 HB3 ALA 31 HB3 ALA 31 11.183 -32.855 -32.771 194 H ARG 32 H ARG 32 12.378 -30.797 -30.294 195 HA ARG 32 HA ARG 32 14.418 -32.767 -29.557 196 HB2 ARG 32 HB2 ARG 32 14.829 -30.533 -31.552 197 HB3 ARG 32 HB3 ARG 32 16.100 -31.567 -30.913 198 HG2 ARG 32 HG2 ARG 32 13.735 -32.561 -32.487 199 HG3 ARG 32 HG3 ARG 32 15.321 -32.206 -33.175 200 HD2 ARG 32 HD2 ARG 32 16.321 -33.866 -31.649 201 HD3 ARG 32 HD3 ARG 32 14.711 -34.249 -31.041 202 HE ARG 32 HE ARG 32 14.945 -34.521 -33.887 203 HH11 ARG 32 HH11 ARG 32 15.438 -36.096 -30.822 204 HH12 ARG 32 HH12 ARG 32 15.324 -37.695 -31.479 205 HH21 ARG 32 HH21 ARG 32 14.793 -36.621 -34.763 206 HH22 ARG 32 HH22 ARG 32 14.958 -37.993 -33.721 207 HA PRO 33 HA PRO 33 14.170 -29.182 -26.614 208 HB2 PRO 33 HB2 PRO 33 14.176 -30.718 -24.374 209 HB3 PRO 33 HB3 PRO 33 12.698 -30.305 -25.251 210 HG2 PRO 33 HG2 PRO 33 14.320 -32.819 -25.351 211 HG3 PRO 33 HG3 PRO 33 12.558 -32.626 -25.292 212 HD2 PRO 33 HD2 PRO 33 13.889 -33.152 -27.591 213 HD3 PRO 33 HD3 PRO 33 12.405 -32.179 -27.548 214 H TRP 34 H TRP 34 16.255 -31.878 -27.127 215 HA TRP 34 HA TRP 34 18.248 -31.262 -25.207 216 HB2 TRP 34 HB2 TRP 34 18.188 -32.921 -27.709 217 HB3 TRP 34 HB3 TRP 34 19.709 -32.633 -26.869 218 HD1 TRP 34 HD1 TRP 34 16.164 -33.893 -25.873 219 HE1 TRP 34 HE1 TRP 34 16.462 -35.823 -24.196 220 HE3 TRP 34 HE3 TRP 34 21.265 -33.904 -25.547 221 HZ2 TRP 34 HZ2 TRP 34 18.580 -37.172 -22.907 222 HZ3 TRP 34 HZ3 TRP 34 22.349 -35.545 -24.070 223 HH2 TRP 34 HH2 TRP 34 21.033 -37.144 -22.777 224 H GLU 35 H GLU 35 17.561 -30.103 -28.423 225 HA GLU 35 HA GLU 35 20.093 -28.640 -28.519 226 HB2 GLU 35 HB2 GLU 35 17.948 -28.690 -30.638 227 HB3 GLU 35 HB3 GLU 35 19.634 -28.227 -30.821 228 HG2 GLU 35 HG2 GLU 35 20.026 -30.715 -30.022 229 HG3 GLU 35 HG3 GLU 35 18.406 -30.921 -30.685 230 H MET 36 H MET 36 16.640 -28.151 -28.217 231 HA MET 36 HA MET 36 17.154 -25.311 -27.654 232 HB2 MET 36 HB2 MET 36 15.111 -26.516 -29.477 233 HB3 MET 36 HB3 MET 36 14.724 -25.031 -28.618 234 HG2 MET 36 HG2 MET 36 16.989 -24.199 -29.578 235 HG3 MET 36 HG3 MET 36 16.774 -25.517 -30.727 236 HE1 MET 36 HE1 MET 36 15.933 -24.033 -33.281 237 HE2 MET 36 HE2 MET 36 15.657 -25.598 -32.516 238 HE3 MET 36 HE3 MET 36 14.289 -24.644 -33.090 239 H MET 37 H MET 37 17.073 -25.604 -25.442 240 HA MET 37 HA MET 37 14.889 -27.006 -24.197 241 HB2 MET 37 HB2 MET 37 17.209 -26.904 -23.251 242 HB3 MET 37 HB3 MET 37 16.937 -25.202 -22.901 243 HG2 MET 37 HG2 MET 37 15.292 -25.684 -21.298 244 HG3 MET 37 HG3 MET 37 15.138 -27.354 -21.842 245 HE1 MET 37 HE1 MET 37 16.376 -29.164 -19.593 246 HE2 MET 37 HE2 MET 37 16.244 -29.101 -21.351 247 HE3 MET 37 HE3 MET 37 17.825 -29.295 -20.591 248 H VAL 38 H VAL 38 13.057 -25.877 -24.950 249 HA VAL 38 HA VAL 38 12.752 -23.133 -23.930 250 HB VAL 38 HB VAL 38 10.758 -23.053 -25.488 251 HG11 VAL 38 HG11 VAL 38 13.566 -22.846 -26.050 252 HG12 VAL 38 HG12 VAL 38 12.690 -23.343 -27.499 253 HG13 VAL 38 HG13 VAL 38 12.229 -21.865 -26.653 254 HG21 VAL 38 HG21 VAL 38 10.356 -24.694 -27.051 255 HG22 VAL 38 HG22 VAL 38 11.998 -25.330 -26.966 256 HG23 VAL 38 HG23 VAL 38 10.856 -25.663 -25.664 257 H GLY 39 H GLY 39 12.459 -24.377 -21.812 258 HA2 GLY 39 HA2 GLY 39 9.574 -24.865 -21.468 259 HA3 GLY 39 HA3 GLY 39 10.741 -26.002 -20.809 260 H ASN 40 H ASN 40 9.683 -22.628 -20.671 261 HA ASN 40 HA ASN 40 10.395 -22.611 -17.823 262 HB2 ASN 40 HB2 ASN 40 12.000 -21.341 -19.540 263 HB3 ASN 40 HB3 ASN 40 10.782 -20.083 -19.347 264 HD21 ASN 40 HD21 ASN 40 13.571 -21.422 -18.106 265 HD22 ASN 40 HD22 ASN 40 13.571 -20.649 -16.560 266 H CYS 41 H CYS 41 9.354 -20.729 -16.672 267 HA CYS 41 HA CYS 41 6.704 -20.175 -17.839 268 HB2 CYS 41 HB2 CYS 41 7.349 -20.528 -14.905 269 HB3 CYS 41 HB3 CYS 41 5.754 -20.272 -15.607 270 H MET 42 H MET 42 6.083 -18.105 -17.951 271 HA MET 42 HA MET 42 7.709 -16.105 -16.521 272 HB2 MET 42 HB2 MET 42 6.478 -15.958 -19.274 273 HB3 MET 42 HB3 MET 42 7.144 -14.565 -18.433 274 HG2 MET 42 HG2 MET 42 8.980 -15.113 -19.608 275 HG3 MET 42 HG3 MET 42 9.237 -16.208 -18.252 276 HE1 MET 42 HE1 MET 42 10.684 -16.355 -20.624 277 HE2 MET 42 HE2 MET 42 10.633 -18.012 -21.225 278 HE3 MET 42 HE3 MET 42 9.834 -16.722 -22.126 279 H CYS 43 H CYS 43 6.540 -13.983 -16.241 280 HA CYS 43 HA CYS 43 4.085 -14.454 -14.878 281 HB2 CYS 43 HB2 CYS 43 5.539 -11.898 -15.576 282 HB3 CYS 43 HB3 CYS 43 4.090 -11.958 -14.578 283 H GLY 44 H GLY 44 2.006 -13.741 -15.367 284 HA2 GLY 44 HA2 GLY 44 1.498 -12.449 -17.918 285 HA3 GLY 44 HA3 GLY 44 0.932 -14.109 -17.793 286 HA PRO 45 HA PRO 45 -2.142 -10.952 -15.998 287 HB2 PRO 45 HB2 PRO 45 -3.965 -10.997 -18.009 288 HB3 PRO 45 HB3 PRO 45 -2.626 -9.846 -17.953 289 HG2 PRO 45 HG2 PRO 45 -2.864 -12.402 -19.492 290 HG3 PRO 45 HG3 PRO 45 -2.226 -10.834 -20.019 291 HD2 PRO 45 HD2 PRO 45 -0.621 -12.884 -19.277 292 HD3 PRO 45 HD3 PRO 45 -0.184 -11.184 -19.011 293 H LYS 46 H LYS 46 -3.714 -11.731 -14.718 294 HA LYS 46 HA LYS 46 -4.316 -14.515 -14.721 295 HB2 LYS 46 HB2 LYS 46 -4.234 -12.878 -12.726 296 HB3 LYS 46 HB3 LYS 46 -5.869 -12.436 -13.199 297 HG2 LYS 46 HG2 LYS 46 -6.711 -14.561 -12.712 298 HG3 LYS 46 HG3 LYS 46 -5.103 -15.289 -12.695 299 HD2 LYS 46 HD2 LYS 46 -5.716 -13.126 -10.740 300 HD3 LYS 46 HD3 LYS 46 -6.377 -14.738 -10.456 301 HE2 LYS 46 HE2 LYS 46 -3.494 -14.497 -11.147 302 HE3 LYS 46 HE3 LYS 46 -4.005 -14.016 -9.531 303 HZ1 LYS 46 HZ1 LYS 46 -4.313 -16.125 -8.931 304 HZ2 LYS 46 HZ2 LYS 46 -3.412 -16.541 -10.301 305 HZ3 LYS 46 HZ3 LYS 46 -5.102 -16.534 -10.370 306 H ALA 47 H ALA 47 -5.999 -15.598 -15.560 307 HA ALA 47 HA ALA 47 -8.328 -14.109 -16.525 308 HB1 ALA 47 HB1 ALA 47 -8.009 -15.927 -18.535 309 HB2 ALA 47 HB2 ALA 47 -7.541 -14.228 -18.618 310 HB3 ALA 47 HB3 ALA 47 -6.343 -15.454 -18.199
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